smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc(Br)c1 988034 OKVAOXCTUNBIQS-UHFFFAOYSA-N 369.218 4.068 0 40 FIAB aggregator CC(C)c1nc(SCC(=O)NCCc2ccccc2)c2ccccc2n1 1342909 GCUOMTGCBDLSDP-UHFFFAOYSA-N 365.502 4.204 0 40 FIAB COc1ccccc1[C@@H]1C2=C(N=C3SCC(=O)N31)c1ccccc1CC2 1411888 HIULRVKUSDLFNR-HXUWFJFHSA-N 362.454 4.039 0 40 FIAB aggregator O=C(O[C@]1(c2ccccc2)OCCN[C@H]1c1ccccc1)c1ccccc1 1666034 OXGXVNCQHVJYIF-GMAHTHKFSA-N 359.425 4.058 0 40 FIAB Cc1ccc(NC(=O)CSCc2nc3ccccc3nc2C)cc1C 2617536 YPXYIWQLOHNFRD-UHFFFAOYSA-N 351.475 4.427 0 40 FIAB Cc1ccccc1-n1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O 3464445 INHYLAIILSMYFN-UHFFFAOYSA-N 366.486 4.401 0 40 FIAB COc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(OC)c1 3606724 PMGPEQJHRFHSPB-UHFFFAOYSA-N 351.402 4.120 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1OC 3908127 KLWUUAZXELUZHI-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB CCCCOC[C@@H](O)Cn1cnc(-c2ccccc2)c1-c1ccccc1 4705489 XPJMEGKYQSXSQJ-FQEVSTJZSA-N 350.462 4.395 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 4775586 JANRYMDAPCDJPG-UHFFFAOYSA-N 366.461 4.354 0 40 FIAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1 4816835 FQTYWHSZCZWEJE-ROUUACIJSA-N 366.852 4.409 0 40 FIAB O=C1c2ccccc2-c2cc(=O)[nH]c3c(Br)cc(Cl)c1c23 5236166 SYTJPOMTIPHWTH-UHFFFAOYSA-N 360.594 4.155 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CCC3)cc1 5252300 KXLUCMZZKMZEIK-UHFFFAOYSA-N 364.445 4.027 0 40 FIAB CC(=O)Nc1cccc(OC(=O)c2cc(Br)ccc2Cl)c1 5613361 WGSCOHKDTGWDRR-UHFFFAOYSA-N 368.614 4.280 0 40 FIAB O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ccc(F)cc1 5700499 SMOSILUUVFRNDJ-UHFFFAOYSA-N 367.829 4.143 0 40 FIAB O=C(NCCOc1cccc2ccccc12)c1ccccc1Br 5876647 XSGGRSCJIJPNSB-UHFFFAOYSA-N 370.246 4.411 0 40 FIAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccco1 6654467 CSSYKMWJROFUTA-UHFFFAOYSA-N 357.435 4.062 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nc(COc3ccccc3C)n[nH]2)c1 6683881 IKZPYGKCIZTGKC-UHFFFAOYSA-N 367.474 4.284 0 40 FIAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2C)cc1 6747561 IWPHGSOAKHGGLQ-UHFFFAOYSA-N 365.429 4.204 0 40 FIAB COc1cccc(CN(C)Cc2c(NC(C)=O)sc3c2CCCC3)c1 6881966 OPQGUCHOUBEDOO-UHFFFAOYSA-N 358.507 4.226 0 40 FIAB O=C(COC(=O)CSc1ccccc1)Nc1ccc(Cl)cc1Cl 6919403 ANXBZTKENKUSAU-UHFFFAOYSA-N 370.257 4.267 0 40 FIAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 7108475 GOBNLEVBNFDLID-JTNHKYCSSA-N 358.265 4.234 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1OCC 7361153 GGABTANFIUKSMS-UHFFFAOYSA-N 367.492 4.007 0 40 FIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(F)cc1F 7580377 OVTLDWGSGBANQR-UHFFFAOYSA-N 362.401 4.260 0 40 FIAB Cc1ccc(-c2n[nH]c(SCc3nc(-c4ccccc4C)no3)n2)cc1 8232917 IKILJCKYLFCBNS-UHFFFAOYSA-N 363.446 4.431 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCCCO2 8404963 GAEGWKKCHROXBI-UHFFFAOYSA-N 350.374 4.064 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)C1=Cc2cc(Cl)ccc2OC1 8518141 YZSDSDANVUDGCU-UHFFFAOYSA-N 372.804 4.070 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2Cl)C1 8699257 RWQXYYSHOCDDIC-NWDGAFQWSA-N 360.237 4.029 0 40 FIAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc2c(c1)OCCO2 9356042 NFBQGLRMLUTHRN-UHFFFAOYSA-N 373.865 4.199 0 40 FIAB C[C@H](CCc1ccco1)NC(=O)N(C)Cc1ccccc1N1CCCCC1 9470923 VSAWXHREVAEKGO-GOSISDBHSA-N 369.509 4.433 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)[C@@H]1C[C@@H]1c1ccccc1Cl 9544630 QQQTYFSHAYERDZ-ZIAGYGMSSA-N 358.850 4.476 0 40 FIAB C[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)c1ccccc1 11493528 DHAFGFQNQNCSAJ-LBPRGKRZSA-N 354.793 4.158 0 40 FIAB C[C@H]1C[C@@H]1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21 12327484 MJBYAVZRRUSJNO-KSSFIOAISA-N 351.425 4.005 0 40 FIAB C[C@@H]1c2cccn2CCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12735011 OCULDNVTDOUNRV-GFCCVEGCSA-N 362.355 4.134 0 40 FIAB Cc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 12765066 AVRUDYJBIZWCQT-QHCPKHFHSA-N 371.440 4.156 0 40 FIAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 14824531 MZIKMVVDLNFTHN-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)NC2CCCCC2)o1 15881461 DWZWUKNZYFDXED-UHFFFAOYSA-N 366.465 4.093 0 40 FIAB Cc1ccc(-n2ncc3c(NCCCOC(C)C)ncnc32)cc1Cl 17120883 ZSFCVACUGQPSPC-UHFFFAOYSA-N 359.861 4.004 0 40 FIAB CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1 18090821 SJGVNEZGLOHNLN-UHFFFAOYSA-N 368.389 4.150 0 40 FIAB C/C(=C\c1ccccc1)CN1CCc2nc([C@H]3CCCCN3C)ncc2C1 19014418 BBTSNGLGZUNIKA-OVWUPXBPSA-N 362.521 4.095 0 40 FIAB CCCCOc1ccc([C@@H](O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 20790285 AFMFNWNIOFULQN-XZOQPEGZSA-N 369.505 4.015 0 40 FIAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(-c4ccccc4)nn3cc21 20796290 ZBRJDRJWJQGQPH-HNNXBMFYSA-N 374.831 4.357 0 40 FIAB CCc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(C)c(F)c1 24603198 IOMBZBAFCFHIAI-UHFFFAOYSA-N 370.453 4.008 0 40 FIAB CCCOc1ccccc1OCC(=O)Nc1ccccc1OC(F)(F)F 24842875 LBTZFPIUZRSFNN-UHFFFAOYSA-N 369.339 4.392 0 40 FIAB CC[C@@H](NC(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(C)cc1 25065464 MESPZLZCAGQOFF-GOSISDBHSA-N 356.466 4.005 0 40 FIAB O=C(CNc1cc(Cl)ccc1OCC(F)(F)F)NC1CCCCC1 26227114 RBNZLIUEDKDLPE-UHFFFAOYSA-N 364.795 4.142 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662530 WJRJPYDRCUSMLW-LJQANCHMSA-N 372.534 4.494 0 40 FIAB O=C(NCCOc1cccc(F)c1)c1ccc(C2SCCS2)cc1 27713031 FKICYEDPYCWWAL-UHFFFAOYSA-N 363.479 4.113 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)c(C)c1 28237580 VKRIWYJKGHFELY-LBPRGKRZSA-N 364.287 4.154 0 40 FIAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2cc(Cl)c[nH]2)cc1 29896378 PRZDAFDYBCYBPZ-UHFFFAOYSA-N 354.793 4.277 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)c(Cl)c1 30850524 KXFOZAJBHXHPLV-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1ccc2c(c1)CCCN2C(=O)CCCc1nc(-c2cccs2)no1 31696851 BFZQAUQBVPJBLW-UHFFFAOYSA-N 367.474 4.409 0 40 FIAB C[C@H](N[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 32855733 NKRKZNXXLKLFMF-STQMWFEESA-N 368.872 4.263 0 40 FIAB COC(=O)c1c(/C=C/c2ccc(Br)s2)cccc1OC 35973553 KWRJURMYJYMOGC-VOTSOKGWSA-N 353.237 4.476 0 40 FIAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104722 RJIHEKKOJTXKAI-LRDDRELGSA-N 374.485 4.019 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2)c2c(C)nn(Cc3ccccc3)c2n1 36616268 DIGHMJQUQMMJSG-UHFFFAOYSA-N 356.429 4.349 0 40 FIAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1cccc(Cl)c1Cl 36635865 TYOUTIJIGMOUDP-LBPRGKRZSA-N 369.635 4.391 0 40 FIAB CN(C)c1c(Cl)cccc1NC(=O)Cc1csc(-c2ccco2)n1 40105180 XAHNUZLDHKYOOO-UHFFFAOYSA-N 361.854 4.304 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1cc(Cl)ccc1-n1cccn1 40145845 KYNOBEBGRQYDJS-UHFFFAOYSA-N 364.207 4.499 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1cc2cc(OCC)ccc2n1C 46007427 GTTZNOXMAGPKSC-UHFFFAOYSA-N 366.417 4.006 0 40 FIAB c1ccc(Cn2cc(CNCCOc3ccccn3)c3ccccc32)cc1 57356053 JNRLSPPRYDROIS-UHFFFAOYSA-N 357.457 4.253 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)Cc3cn4ccccc4n3)cn2)cc1C 58363900 IMVMMTUOZGBSKJ-UHFFFAOYSA-N 372.428 4.320 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(N3CCOC3=O)cc2)cc1C 68123755 VMPNRDQGBJCBRH-FQEVSTJZSA-N 364.445 4.237 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Cc2ccncc2)cc1 69899633 SDWUCCAHHNMSHF-UHFFFAOYSA-N 356.429 4.120 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)cc1 72238576 ISWYOAJKAKUURZ-UHFFFAOYSA-N 371.824 4.395 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[C@@H](SC)C3)cs2)cc1 78934010 SBLRPMORYFTBHL-DZGCQCFKSA-N 362.520 4.175 0 40 FIAB Cc1c([C@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)oc2ccccc12 84068145 OIMCFSVTTUFJAN-DJJJIMSYSA-N 366.392 4.251 0 40 FIAB CCSc1ccc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cn1 84812120 PTIOVTFEGPAYSY-UHFFFAOYSA-N 370.518 4.384 0 40 FIAB CCOc1ccc(CC(=O)Nc2cc(F)c(Br)cc2F)cc1 95435475 MFJJHGJWXYFMEK-UHFFFAOYSA-N 370.193 4.307 0 40 FIAB CC(C)(C)[C@@H]1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CCO1 95450722 PFGJXLHOKXEUTO-ZBFHGGJFSA-N 361.873 4.054 0 40 FIAB C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2ccc(OCc3cccnc3)cc2)no1 95943505 RMHVKRNROVIXOB-AUUYWEPGSA-N 363.417 4.183 0 40 FIAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)c1 101275490 PEHVCOAXAFCHKT-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB COc1ccc2c(c1)CCN(c1ccc(Cl)cc1Cl)[C@@H]2C(=O)O 199613889 IBKUYMAWPZYJAG-INIZCTEOSA-N 352.217 4.190 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)CC(C)(C)O2 219289262 IJGHJLJWMHFFIG-AEFFLSMTSA-N 353.462 4.489 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1F 219575308 FOPIZZPSMJVYIY-SFHVURJKSA-N 359.441 4.131 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1cccc(Cl)c1 222995259 RHRKVFOAUDWUCS-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 223341915 MPGGKCQZFASZPP-OAQYLSRUSA-N 352.478 4.083 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccccc3)o2)c1 224843518 MZXPLYHVOGRULH-HNNXBMFYSA-N 350.418 4.160 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1 224874717 KQOWMXGDPBLTQZ-UHFFFAOYSA-N 365.760 4.181 0 40 FIAB CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 224908863 JKKGSBWWQYITQI-UHFFFAOYSA-N 357.406 4.443 0 40 FIAB CCOc1ccccc1CCCNC(=O)c1ccc(OCC)c(OCC)c1 225064333 PAFYHVOTGGRNQG-UHFFFAOYSA-N 371.477 4.245 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 225728930 WVUZWHNHIWSNSU-ZIAGYGMSSA-N 373.488 4.360 0 40 FIAB Cc1ccc(C(=O)/N=c2\sccn2CC(=O)c2ccccc2)cc1Cl 409203767 ZDRIVEDKLMUPMW-VZCXRCSSSA-N 370.861 4.135 0 40 FIAB O=C(c1cc(Cc2ccccc2)[nH]n1)N1CCC(Cc2ccccc2)CC1 578147930 UIPNUVZLSUCGCR-UHFFFAOYSA-N 359.473 4.095 0 40 FIAB O=C(CCCC(=O)c1ccccc1)N[C@@H](c1cccs1)C1CCOCC1 606440618 KPESZIMKKIRRLV-OAQYLSRUSA-N 371.502 4.385 0 40 FIAB CC(C)[C@@H]1N(C(=O)Nc2ccc(Oc3cccnc3)nc2)CC12CC=CC2 646327258 PJQHPBVEHRCEPD-IBGZPJMESA-N 364.449 4.477 0 40 FIAB Cn1nccc1[C@@H]1OCCC[C@H]1CNc1ccc2nc(C3CC3)oc2c1 657410865 JECJRAAWJZNFPD-IFXJQAMLSA-N 352.438 4.019 0 40 FIAB O=C1c2sc3nc4ccccc4n3c2C(=O)N1c1ccccc1Cl 946914 OJHHZRVIYJWGFE-UHFFFAOYSA-N 353.790 4.003 0 40 FIAB aggregator Cc1nc(SCC(=O)NCCc2ccccc2)c2c(C)c(C)sc2n1 1340316 XVCUBMFUHGVNMG-UHFFFAOYSA-N 371.531 4.068 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 1972522 ONQAXJMVJHWTPB-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB O=S(=O)(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccccc1 2500375 PMXVYZAZUXTKKW-UHFFFAOYSA-N 350.399 4.296 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc(C)c1C 2625544 OJAXEMQTHQNRKY-UHFFFAOYSA-N 356.278 4.439 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 2637355 AEQKUCNSMNYTLX-UHFFFAOYSA-N 356.853 4.338 0 40 FIAB O=C1O[C@H](c2ccco2)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 2741590 WXGPQNLEQUYKEV-GOSISDBHSA-N 353.761 4.449 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(F)(F)F 3140865 AFELLLCMZVTHFJ-UHFFFAOYSA-N 357.353 4.401 0 40 FIAB OC1=N[C@H](c2cc3c(cc2Cl)OCO3)Nc2sc3c(c21)CCCC3 3186527 AZUUDJQZDAHQHQ-HNNXBMFYSA-N 362.838 4.438 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1c(Cl)cccc1Cl 3227981 JBYOXVHHYRNCOL-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2N)cc1 3230301 CWDBNNMPGLBDRF-UHFFFAOYSA-N 360.841 4.015 0 40 FIAB FC(F)(F)c1cccc(-c2nnn(Cc3nc4ccccc4s3)n2)c1 3320137 LJHYWDHCUYAEOW-UHFFFAOYSA-N 361.352 4.017 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(OC)ccc1Br 3472541 ZIXNBNOGBJPNFJ-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB Cc1c(OCc2ccc(C(=O)O)cc2)ccc2c3c(c(=O)oc12)CCCC3 4077383 TVLAHHWDBGYVKF-UHFFFAOYSA-N 364.397 4.257 0 40 FIAB COc1cccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)c1 4120608 PMHPLCJWUWCWEL-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB COc1cccc2sc(Nc3sc4c(c3C(N)=O)CCCC4)nc12 4137633 UJSMNICLYHCDHG-UHFFFAOYSA-N 359.476 4.088 0 40 FIAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl 4385654 CLBTZLQRLBNYGV-UHFFFAOYSA-N 369.896 4.443 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 4816829 COCVLHXZMBTEAY-MSOLQXFVSA-N 352.825 4.019 0 40 FIAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1cc(C)on1 4849419 GSDMHQGBKHQSPQ-UHFFFAOYSA-N 355.463 4.441 0 40 FIAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1cccc2ccccc12 4914938 PVKKIGRHONUUTJ-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB CC(C)[C@H]1Cc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)CO1 5408873 NWLHVPXIERMFNA-CYBMUJFWSA-N 358.488 4.207 0 40 FIAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NCc1cccc(Cl)c1 5530903 NEPAXRLQYNZEGA-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB O=C(O)/C(=C\c1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 5647154 FBUHOWSVDCXNCN-RCCKNPSSSA-N 373.408 4.121 0 40 FIAB O=C(CSc1ccc(Br)cc1)Nc1cccnc1Cl 5738116 HZRJNGMGNIKFLK-UHFFFAOYSA-N 357.660 4.228 0 40 FIAB O=C(NC[C@@H]1CCCO1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 6112291 HXHDEWGIHBJWNI-INIZCTEOSA-N 371.440 4.292 0 40 FIAB biogenic O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)cc1F 6128150 NFSIAKCNHACSCK-UHFFFAOYSA-N 354.768 4.231 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6566133 XUAYWOYOIPHPFU-DYESRHJHSA-N 365.473 4.134 0 40 FIAB O=C(CSc1ccc(Br)cc1)NCCc1ccc(F)cc1 6880489 PSRGKASUMBFMAY-UHFFFAOYSA-N 368.271 4.039 0 40 FIAB Cc1nc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n(CC(C)C)c1C 6935392 VIOASDUDPIBXPN-GOSISDBHSA-N 357.523 4.268 0 40 FIAB O=C(CCc1cccnc1)N1CCc2sccc2[C@@H]1c1cccs1 7258425 ZCXOMNOSOJUUKI-LJQANCHMSA-N 354.500 4.312 0 40 FIAB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1CCc1cccs1 7420333 NPROQSIREVIJPB-UHFFFAOYSA-N 372.515 4.018 0 40 FIAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(F)F 7886175 LIVGUQXMVNWVKO-KRWDZBQOSA-N 360.360 4.026 0 40 FIAB C[C@@H](NC(=O)COc1ccc(Br)cc1)c1cc2ccccc2o1 7889303 FILWRJDRWKEKNL-GFCCVEGCSA-N 374.234 4.452 0 40 FIAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccccc2Cl)no1 8006777 CMDHPEFXAGBOJV-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB Cc1ccccc1CNC(=O)COc1ccc(Br)cc1Cl 8154624 CSSGPYRCRRPCGS-UHFFFAOYSA-N 368.658 4.106 0 40 FIAB Cc1cc(=O)oc2c(C)c(OCc3nnc(-c4ccc(F)cc4)o3)ccc12 8314459 MQXZPVHVQYZUOW-UHFFFAOYSA-N 366.348 4.178 0 40 FIAB O=c1[nH]cnc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 8419642 HWUFLWUJVUBLPR-UHFFFAOYSA-N 353.350 4.280 0 40 FIAB COc1cc2c(cc1OC)CN(C(=S)Nc1c(C)cccc1C)CC2 8684749 IPXWFXPSRCERMM-UHFFFAOYSA-N 356.491 4.076 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 8852419 PLXOZLNXCQXDIV-INIZCTEOSA-N 366.442 4.060 0 40 FIAB COc1ccc2nc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)ccc2c1 9980306 LDXYBKJFIRGLEK-UHFFFAOYSA-N 369.808 4.108 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc(F)cc1F 10383004 CQCVITMHDCVXRT-UHFFFAOYSA-N 374.309 4.365 0 40 FIAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(F)c1 10508051 ZPGKOEZIIPJVRL-UHFFFAOYSA-N 362.408 4.210 0 40 FIAB CC(=O)c1cccc(NC(=O)CS[C@@H]2CCc3ccccc3N=C2O)c1 11865828 MBZDRBTVOUVJBZ-GOSISDBHSA-N 368.458 4.164 0 40 FIAB CCC(CC)C(=O)NCc1ccc(-c2ncncc2-c2cc(C)no2)cc1 12158878 FTEKFRWKYHMSLN-UHFFFAOYSA-N 364.449 4.159 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)COc2ccccc2C(C)C)c1 12404169 GCKYJBDNOSFIOH-UHFFFAOYSA-N 368.477 4.310 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2nc3ccccc3s2)c1 12762306 IVDBAFFRUUNKLP-HNNXBMFYSA-N 353.491 4.372 0 40 FIAB Cc1cc(N[C@@H](c2ccccc2)c2cc3ccccc3o2)n2ncnc2n1 12808139 CCHQFIRNJDAERI-FQEVSTJZSA-N 355.401 4.380 0 40 FIAB Cc1noc(C)c1C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12873719 MGQPXKHRZMVHRK-QGDMRXHLSA-N 358.441 4.319 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12 13960968 HMYJVNWWEZYXBC-UHFFFAOYSA-N 372.375 4.008 0 40 FIAB Cc1c(-c2cccc(NC(=O)/C=C\c3ccccc3)c2)nc2ncccn12 16991688 YJENOHSISKVPRH-QXMHVHEDSA-N 354.413 4.357 0 40 FIAB C[C@H](CN1CCOCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 19897292 YNAIBQUOBOLUOZ-MRXNPFEDSA-N 361.526 4.159 0 40 FIAB CC(C)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20487688 ACAWTFKOEKCFPG-UHFFFAOYSA-N 366.870 4.087 0 40 FIAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1-c1ccccc1 21273120 LRPLAEHZIKSVGR-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB CCC[C@H](NC(=O)CSCC(=O)Nc1ccccc1F)c1ccccc1 21928731 AJWKJNCQJUDAIP-KRWDZBQOSA-N 374.481 4.155 0 40 FIAB C[C@H](NC(=O)c1ccco1)C(=O)OCc1sc2ccccc2c1Cl 21976002 UNGCIRCCJBITOS-JTQLQIEISA-N 363.822 4.009 0 40 FIAB CCOc1ccc(Br)cc1CNCCc1ccccc1F 22074620 HLIXAFHKQWPIFB-UHFFFAOYSA-N 352.247 4.319 0 40 FIAB CSc1ncc(C(=O)Nc2nc(C3CC3)cs2)n1-c1ccccc1 23135170 YGKNMDONAKSRAA-UHFFFAOYSA-N 356.476 4.180 0 40 FIAB CC(C)CNc1nnc(S[C@H](C)C(=O)NCCC2=CCCCC2)s1 23226733 MCIKXEXRTMFPHK-CYBMUJFWSA-N 368.572 4.093 0 40 FIAB COc1cc(F)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 25311727 MSUOOCDBAACYLG-UHFFFAOYSA-N 355.409 4.315 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 26379298 VQTYJXYYBRGOPQ-OLZOCXBDSA-N 359.857 4.420 0 40 FIAB CCOc1ncccc1NC(=O)c1cc(Br)ccc1Cl 27587179 NOTZNWROUHTSQB-UHFFFAOYSA-N 355.619 4.149 0 40 FIAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 32787555 SRAZJPLOHSMEGX-INIZCTEOSA-N 366.461 4.012 0 40 FIAB Cc1ccccc1NC(=O)/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1 33531046 UMDZMHBXIPWKFL-MDZDMXLPSA-N 360.373 4.012 0 40 FIAB CCOC(=O)CSc1nc(Nc2ccc(F)cc2)c2ccccc2n1 34138673 JVVMXAMBXGVRFX-UHFFFAOYSA-N 357.410 4.168 0 40 FIAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1cccc(Cl)c1 36394986 DKSOOUAKLUKWAY-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB Cc1ccc(Sc2ccc(NC(=O)CNC(=O)[C@H]3C[C@@H]3C)cc2)cc1C 36754817 XIHBNVBXBLVSNP-KXBFYZLASA-N 368.502 4.165 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)c(C)s1 40080833 KLYJAOHWRPASOH-RYUDHWBXSA-N 364.898 4.014 0 40 FIAB O=C(c1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1Cl 43210862 LCTXGMOVMXDPPF-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1OC 44846136 ZFJFCJZVAQROMM-INIZCTEOSA-N 368.477 4.185 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 44904483 YVEDIMCPONMQIM-GUDVDZBRSA-N 360.542 4.062 0 40 FIAB COc1ccc(CN(C)C(=O)Nc2ccccc2N2CCCCC2)cc1F 57854338 QEQVVDBCKCSSLW-UHFFFAOYSA-N 371.456 4.489 0 40 FIAB O=C(Nc1ccn(Cc2ccncc2)n1)Nc1cc(Cl)ccc1Cl 58222741 CUBZSPBLSBQJCN-UHFFFAOYSA-N 362.220 4.277 0 40 FIAB Cc1ccc(-c2nc3c4ccccc4n(Cc4ccccc4)c(=O)n3n2)cc1 64977849 BWHRWXSBVYGBQR-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB CC(=O)c1cn(CCC(=O)Nc2cccc3c2ccn3C)c2ccccc12 72324541 NCARXORGGLJYRD-UHFFFAOYSA-N 359.429 4.364 0 40 FIAB biogenic Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)c1 72349235 XOVOVMQQENKXGQ-HXUWFJFHSA-N 371.484 4.396 0 40 FIAB COc1cccc(-c2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)c1 72350078 SJHMZHKCXYMPGT-GOSISDBHSA-N 352.478 4.116 0 40 FIAB O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358455 HYOYHOBRWNJBEJ-SFHVURJKSA-N 361.420 4.303 0 40 FIAB O=C(Cc1ccc(F)cc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165852 CVVRMQVWKIVOQJ-RBUKOAKNSA-N 370.424 4.044 0 40 FIAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(OC(F)F)cc2)cc1 79026643 XDVJCAIXGTXKBS-CYBMUJFWSA-N 371.387 4.273 0 40 FIAB CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1oc2ccccc2c1C 89274738 SXXXFQLXNZVIBX-SXBQZSJRSA-N 355.459 4.360 0 40 FIAB CC(C)(C)c1nc(C(C)(C)NC(=O)N[C@@H](c2ccccc2)C2CC2)no1 89725268 LTNLWNPPLVGUAP-HNNXBMFYSA-N 356.470 4.053 0 40 FIAB CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccccc1F 96005560 PQLZXGFDXMANST-AWEZNQCLSA-N 365.449 4.079 0 40 FIAB COCc1nn2c(=O)c(-c3ccccc3)c[nH]c2c1-c1ccc(Cl)cc1 100243144 UVNGKOBPYHTLPV-UHFFFAOYSA-N 365.820 4.156 0 40 FIAB Cc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn(CC(C)C)c(=N)c32)cc1 101357474 WARQTZSLFUBWDO-LJQANCHMSA-N 361.445 4.318 0 40 FIAB O=C(Cn1cnc2ccccc21)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206876280 HMTZRSPZYVCZHD-QGZVFWFLSA-N 367.880 4.486 0 40 FIAB C[C@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)OCCO2 222739726 ZWZHCDKKOLTYFQ-INIZCTEOSA-N 351.446 4.147 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CC1 222819787 GPVGAFDUDTZQGN-RBUKOAKNSA-N 354.523 4.216 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)s2)cc1 223116483 PYEXZAJBRLQHSW-GFCCVEGCSA-N 357.410 4.059 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224169203 VNCJBUJLKBLLHC-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CC(C)CCNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224880684 IPTNIBFIGREJRC-UHFFFAOYSA-N 365.271 4.199 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225067006 JFFBGOODAHFYKU-KRWDZBQOSA-N 370.474 4.013 0 40 FIAB COc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C(C)C 225553361 WPGJWUPOBIGUSY-UHFFFAOYSA-N 367.898 4.259 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2c(C)cc(C)cc2C)c1 225767990 OSWRIUHBDXAECZ-UHFFFAOYSA-N 353.447 4.391 0 40 FIAB Cc1ccsc1CN1CC2(C[C@@H](CCOCc3ccccn3)CCO2)C1 253598603 DSZJPPFFIBQKIM-SFHVURJKSA-N 372.534 4.039 0 40 FIAB O=C(c1cnco1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257205790 BANXWIUCDDJCGR-MRXNPFEDSA-N 371.824 4.274 0 40 FIAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2Cc2cc(F)ccc2F)n1 257328529 XGBBPQIULVJQLM-GOSISDBHSA-N 369.419 4.181 0 40 FIAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccccc3F)c2)CC1 408721250 FUWOIILQARPKJE-UHFFFAOYSA-N 372.465 4.474 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3nc(SCCC(=O)O)sc3c2)cc1 408749648 IFOFETRMCJKIPE-UHFFFAOYSA-N 372.471 4.424 0 40 FIAB CCOc1ccc(C2=N/C(=C\c3ccccc3C(F)(F)F)C(=O)O2)cc1 409009032 RDEVLRSLBJSKJJ-WJDWOHSUSA-N 361.319 4.449 0 40 FIAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(C(C)C)C1=O 409062727 ZTYSQRBIYQVSGV-JYRVWZFOSA-N 370.268 4.293 0 40 FIAB COc1cccc(Oc2ccc(NC(=O)CC3CCN(OC)CC3)cc2)c1 666888484 IGVZPUYUTAUIBR-UHFFFAOYSA-N 370.449 4.090 0 40 FIAB Cc1cc(F)ccc1-n1cc(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)nn1 1128318424 JTTBXMMHXHSRTK-WBVHZDCISA-N 358.461 4.050 0 40 FIAB FC(F)(F)c1cccc(CNc2nccc(N3Cc4ccccc4C3)n2)n1 1142348782 DVCGWRZFVXQTMA-UHFFFAOYSA-N 371.366 4.023 0 40 FIAB COc1ccc(CNC(=O)c2cc3cc(Br)ccc3[nH]2)c(C)c1 1149748906 OWYZFMWSIVVSLK-UHFFFAOYSA-N 373.250 4.177 0 40 FIAB Cc1ccc(C(=O)N2CCC(COc3ccncc3Cl)CC2)s1 1889136221 JRIRQLUBPDZYHI-UHFFFAOYSA-N 350.871 4.036 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)OCC(F)(F)C(F)F)cc1 654904 XWWXURSYTQAESL-UHFFFAOYSA-N 372.314 4.331 0 40 FIAB O=C1C(Nc2ccccc2)=C[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1 858705 QPKUMUWLIKCBAP-HXUWFJFHSA-N 370.408 4.499 0 40 FIAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(OC(F)(F)F)cc1 1025034 MCDPMIFACCMKQT-IZZDOVSWSA-N 366.364 4.112 0 40 FIAB COc1ccccc1NCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 1188431 ADYYYOSHWZZGGK-DQBOXZGESA-N 366.442 4.357 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 1363294 UZXHOZVQEMAMDR-MRXNPFEDSA-N 367.474 4.055 0 40 FIAB CC(C)[C@@H](O)c1cnc(OCc2ccccc2)nc1OCc1ccccc1 1508052 ROHJSATVIKCCKC-HXUWFJFHSA-N 364.445 4.324 0 40 FIAB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)c(C(C)=O)cc1OC 2512678 YDTDEPKRPZVUSG-UHFFFAOYSA-N 367.445 4.357 0 40 FIAB O=C(Nc1ccccc1)c1cc(I)ccc1Cl 2779347 GORINIAIULAONY-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(Cl)cc1Cl 3360466 VICAOTUERYNCTC-CQSZACIVSA-N 373.280 4.009 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2Cl)CC1 4603263 KQDYLDOWUNLAQZ-UHFFFAOYSA-N 350.890 4.390 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 5034540 NVPIDYYIOMSJNH-UHFFFAOYSA-N 372.471 4.188 0 40 FIAB COCc1c(C(=O)OCc2cn3cc(Cl)ccc3n2)oc2ccccc12 5182034 YCGHHNDIJICYDU-UHFFFAOYSA-N 370.792 4.237 0 40 FIAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCO2 5292889 QHSKYRAPUOAGDX-UHFFFAOYSA-N 363.369 4.225 0 40 FIAB Cc1nn2c(Br)c(-c3ccc(Br)cc3)nc2s1 5530426 LNXFNLDJJLWDFB-UHFFFAOYSA-N 373.073 4.291 0 40 FIAB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 5898349 FRUXEGZJKNBMIE-UHFFFAOYSA-N 371.849 4.430 0 40 FIAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 6181573 ZXOWYCCNZVWSHB-UHFFFAOYSA-N 363.442 4.111 0 40 FIAB Cc1ccc2c(COC(=O)/C=C/c3ccc(F)cc3)cc(=O)oc2c1C 6450493 CJDCTWTYUBMTFJ-UXBLZVDNSA-N 352.361 4.306 0 40 FIAB CCOc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 7414383 BGCDXUDCYJQFRY-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB Cc1nnc2c3ccccc3nc(Nc3ccccc3Br)n12 7500024 XICFLZBDJNQGJB-UHFFFAOYSA-N 354.211 4.092 0 40 FIAB c1ccc(Nc2nc(CSc3nnc4n3CCCCC4)cs2)cc1 8345213 LODNJDZHDGLFMS-UHFFFAOYSA-N 357.508 4.497 0 40 FIAB Fc1ccc(OCc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393230 HWVICCKQHOSDHK-UHFFFAOYSA-N 372.450 4.196 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 8496005 HXUHXYSVHDRKRO-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB COc1cc(C)c(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1OC 8719266 FOFWTVAHZONETK-UHFFFAOYSA-N 357.450 4.462 0 40 FIAB COc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 9388741 BABQROFRBMWYKP-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB Cc1ccc(C(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1 10041418 YBDBLYXYSKRRHS-UHFFFAOYSA-N 359.425 4.058 0 40 FIAB C[C@@H](C(=O)N1CCC(c2ncncc2-c2ccncc2)CC1)c1ccccc1 12088662 VRIBLPYMDFYQKP-QGZVFWFLSA-N 372.472 4.048 0 40 FIAB CCOC(=O)c1ccc2c(c1)nc(SC(=O)c1ccc(C)cc1)n2CC 12311600 CEMMSRRTACIYRU-UHFFFAOYSA-N 368.458 4.474 0 40 FIAB CCOc1cc2c(cc1CNCc1c[nH]nc1-c1cccs1)O[C@@H](C)C2 12530347 KFLFXVVMWWNECL-ZDUSSCGKSA-N 369.490 4.150 0 40 FIAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2cccnc2)cc1 12585705 WXSYOOSAMHSUOR-UHFFFAOYSA-N 358.420 4.363 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1 12657952 OJRADRUMJUVRPG-CGXNFDGLSA-N 356.462 4.211 0 40 FIAB biogenic COc1ccc(F)cc1C(=O)N[C@H](C)c1ccc(Br)cc1 12971670 PUPFUOYSCXNXHM-SNVBAGLBSA-N 352.203 4.088 0 40 FIAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl 12977985 VGRWBLDRVFNCFL-UHFFFAOYSA-N 374.912 4.391 0 40 FIAB CN(CN1C(=O)C(=O)c2cc(F)ccc21)C(c1ccccc1)c1ccccc1 13008006 PMNYEZRUARYGIN-UHFFFAOYSA-N 374.415 4.034 0 40 FIAB COc1ccc(Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1 14704530 PSBMYCBGXDQLSL-UHFFFAOYSA-N 362.454 4.490 0 40 FIAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccs1)c1ccccn1 15669878 GQCVLMHFCXBBAR-UHFFFAOYSA-N 362.410 4.097 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 15977027 UXTGOIDGDRRPCU-UHFFFAOYSA-N 353.315 4.124 0 40 FIAB Cc1cnc(NC(=O)CSc2ccc(Br)cc2C)s1 18184994 ZOLFAIRAKVUPME-UHFFFAOYSA-N 357.298 4.253 0 40 FIAB COc1ccc(CN2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)cc1 19557956 HCGDKYNLUUUCST-IBGZPJMESA-N 366.465 4.417 0 40 FIAB O=C(Nc1ccccc1OCc1ccccn1)[C@H]1CCN1C1CCCCC1 19660112 YADYIDRUQOHUHM-HXUWFJFHSA-N 365.477 4.006 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 20550562 YVCQLADPAZVQRJ-TWMWBTDNSA-N 374.521 4.155 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)no2)cc1 21800501 RWTMLTXIYGGOCI-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 21801098 FBHDTBFBHLYXPA-UHFFFAOYSA-N 357.392 4.491 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1C 22542087 UIDGPTUGDVWANP-UHFFFAOYSA-N 372.266 4.308 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c1 22904645 ZQPRYVYQCZNJBT-LSDHHAIUSA-N 359.491 4.203 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)Cc1ccco1 23792940 UDKBVXOMFFNFDZ-UHFFFAOYSA-N 357.841 4.067 0 40 FIAB O=C(CN1C(=O)CSc2ccccc21)Oc1cccc(Cl)c1Cl 25721945 GLLDGRWOTGEDLB-UHFFFAOYSA-N 368.241 4.038 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1COc1ccc(-c2nnco2)cc1 27359973 LBTPGFKNOHMFBW-UHFFFAOYSA-N 366.808 4.463 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 30860504 QVFIHJLWYLCDIN-UHFFFAOYSA-N 372.468 4.149 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 32900973 PUTQINYFIARDOZ-LJQANCHMSA-N 374.440 4.438 0 40 FIAB CCOC(=O)[C@](O)(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1 34925437 GIXPAQUXEOBSBN-QHCPKHFHSA-N 362.425 4.472 0 40 FIAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F 35289976 LLEYWSDFPQKLFT-UHFFFAOYSA-N 371.481 4.231 0 40 FIAB COc1ccc(N[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1Cl 40017896 BHXQRBLPULRVGX-SFHVURJKSA-N 371.824 4.437 0 40 FIAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCCc1ccccc1F 40068760 WGNFOLLQCDEZQT-UHFFFAOYSA-N 354.347 4.229 0 40 FIAB CSc1cccc(NC(=O)c2nc(N3CCCCC3)ncc2Cl)c1 40119548 HCDVWPJROLDUHM-UHFFFAOYSA-N 362.886 4.095 0 40 FIAB Cc1cccc(C)c1OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 40868809 FWSQDMKVZQCNMV-UHFFFAOYSA-N 371.392 4.323 0 40 FIAB CCC1=Nc2sc(CC)cc2[C@@H](SCC(=O)NC2CCCC2)N1 41090633 YSNKZJXXUZJJCE-MRXNPFEDSA-N 351.541 4.144 0 40 FIAB CC(C)n1ncc2cc(C(=O)N(Cc3ccco3)c3ccccc3)cnc21 57996175 RSZYCTBJKGHTDV-UHFFFAOYSA-N 360.417 4.452 0 40 FIAB Fc1cccc([C@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CCO2)c1 66848776 WMJMTCZMLVNUDY-QGZVFWFLSA-N 373.815 4.103 0 40 FIAB O=C(c1ccc(OCc2ccccc2)cc1)N(Cc1ccccn1)C1CC1 71892506 RNPOPOMOGFACKP-UHFFFAOYSA-N 358.441 4.465 0 40 FIAB CC/C=C/C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 72280312 DEVYYZKZCBKWQM-FKIZTMCRSA-N 357.475 4.206 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)CCN2CCC[C@H]2c2cccc(F)c2)c1 84146378 SEJRPLCHRGZCQC-IBGZPJMESA-N 361.482 4.053 0 40 FIAB Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n1 89568355 JOATZKBMLYPFAS-LSDHHAIUSA-N 353.372 4.406 0 40 FIAB CCN(Cc1cccs1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 89969340 AEHOPWLNGQSLCG-CQSZACIVSA-N 354.516 4.036 0 40 FIAB CCc1noc(-c2ccc(C)c(NC(=O)Nc3c(C)noc3CC)c2)n1 95942678 ICWITZQSADBCNZ-UHFFFAOYSA-N 355.398 4.110 0 40 FIAB CC[C@@](CNS(=O)(=O)c1cccc2ccccc12)(OC)c1ccccc1 96391937 SQWYRLWJACBYJW-NRFANRHFSA-N 369.486 4.070 0 40 FIAB CCN1C(=O)[C@H](Cc2ccccc2OC)c2cc(Br)ccc21 101014228 DSBBBONDWXFPSX-OAHLLOKOSA-N 360.251 4.151 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 102614744 GKYRNMLGRCUZSL-SLUIBLPYSA-N 369.461 4.098 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)cc1Cl 107218504 OHIXUVACHBHLGR-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)c(C)c1 222797963 QYZFQRWFNBWGHK-UHFFFAOYSA-N 369.461 4.487 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222968556 OASUYSLOVJCHQS-CVEARBPZSA-N 353.462 4.219 0 40 FIAB Cc1cccc(CSCC(=O)Nc2nnc(SCC(C)C)s2)c1 223965366 ORTBWFROXVLXNG-UHFFFAOYSA-N 367.565 4.467 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)SCc2ccccc2)cc1Cl 224119767 IVBHKGMRFNZWGS-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB COC(=O)c1cc(NC(=S)NCc2ccccc2Cl)ccc1Cl 225371800 JCLQDLMCLMOLLJ-UHFFFAOYSA-N 369.273 4.267 0 40 FIAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccncc3)cc2)cc1 225535674 ZSPQJADMBJTVAQ-UHFFFAOYSA-N 367.449 4.286 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCCc2ccccc2Cl)c1 225541192 LXFNGQUXVSQUOE-UHFFFAOYSA-N 362.882 4.046 0 40 FIAB Cc1c(F)ccc2sc(NC(=O)c3nnn(CC4CCCC4)c3C)nc12 333380022 FLJJFKJXRLTLGJ-UHFFFAOYSA-N 373.457 4.086 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2nc3ccc(C)cc3s2)c(F)c1F 408619515 CMXABQUOEXCFMW-UHFFFAOYSA-N 370.327 4.422 0 40 FIAB O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1 409197148 XAYWWJAYRFETET-UHFFFAOYSA-N 371.776 4.463 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(c2ccncc2)CC1 558415719 AFFCOMRAEGYULV-UHFFFAOYSA-N 360.505 4.323 0 40 FIAB COc1ccc(-c2ccc(C)c(NC(=O)Nc3c(C)noc3C)c2)cn1 558852296 HCXZLVDFUQTRIU-UHFFFAOYSA-N 352.394 4.314 0 40 FIAB Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@H]2CCCNC2)n1 585263214 PVGPADOWUYYQJY-HNNXBMFYSA-N 351.479 4.119 0 40 FIAB CC(=O)N1c2ccccc2C[C@H]1c1nc(C(C)(C)c2cccc(F)c2)no1 683598037 DZSJGCZYVNFDGN-SFHVURJKSA-N 365.408 4.185 0 40 FIAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(CC3CCCC3)C[C@@H]1CCO2 1534646536 MVBOLEQTTLXBMP-OALUTQOASA-N 356.510 4.234 0 40 FIAB CCOC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 650621 IMOIOPMNDJBVGV-UHFFFAOYSA-N 367.474 4.206 0 40 FIAB O=C(COC(=O)C(O)(C1CCCCC1)C1CCCCC1)c1ccccc1 1710957 XWPHNAWGYZRMKB-UHFFFAOYSA-N 358.478 4.304 0 40 FIAB CC(C)N(C(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)N(C(C)C)C(C)C)C(C)C 1763825 ISWPQRMZLUULCV-NTFDOXNWSA-N 364.574 4.330 0 40 FIAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc1 2110801 XFUSOAFMRKRHNP-MSOLQXFVSA-N 365.477 4.104 0 40 FIAB biogenic CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1F 2201022 MOQODZIGSACNEC-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB CCOc1ccccc1NC(=O)CSc1nccn1-c1ccc(F)cc1 2723651 VOKZLMJVHUPKJX-UHFFFAOYSA-N 371.437 4.141 0 40 FIAB CCCCNc1nc(SCC(=O)NC2CCCCC2)nc2ccccc12 2941570 JWRBAOMGLCEKNH-UHFFFAOYSA-N 372.538 4.383 0 40 FIAB CC(C)N(C(=O)COC(=O)Cc1cccc2ccccc12)c1ccccc1 3237067 BNWPISWEHQKTQN-UHFFFAOYSA-N 361.441 4.367 0 40 FIAB CC(C)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 3295082 ZDEMGWVBKOYXEL-UHFFFAOYSA-N 350.513 4.022 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)cc1 4194501 ARYMAXGXJOLQJJ-UHFFFAOYSA-N 358.444 4.057 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(Cl)c2Cl)C1 4241661 BVIIDPWCFZQTOG-WDEREUQCSA-N 360.237 4.029 0 40 FIAB Cc1ccc2c(COC(=O)C34CC5CC(CC(C5)C3)C4)cc(=O)oc2c1 5127013 SFSJWSHMILMDFJ-UHFFFAOYSA-N 352.430 4.361 0 40 FIAB aggregator C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12 5400324 ZNTQPJWFPLBKNR-OAHLLOKOSA-N 372.424 4.434 0 40 FIAB COc1ccccc1[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCC1 5704387 NZAWURAGUSOGIA-QGZVFWFLSA-N 373.478 4.114 0 40 FIAB Cc1nnc(SCc2cn3cc(Cl)ccc3n2)n1-c1ccccc1 6105679 AIWYGJHSOMJZJY-UHFFFAOYSA-N 355.854 4.169 0 40 FIAB C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OC)c1O 6324828 DKQPDMMGRJVFAU-OUYOUGTCSA-N 374.506 4.218 0 40 FIAB O=C(O)COc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 6402380 MWSMHQULPBGZKH-UHFFFAOYSA-N 355.177 4.101 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(F)c1C 6440121 GQDSRDMLGXLLOB-KUHUBIRLSA-N 372.440 4.414 0 40 FIAB NC(=O)c1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1 6602455 KNKUDMYYKWFZSN-UHFFFAOYSA-N 370.861 4.323 0 40 FIAB Cc1cccc(OCCCC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 6978397 ZZRXNCGOXSIBLD-HSZRJFAPSA-N 360.457 4.455 0 40 FIAB O=C(Nc1cccc(F)c1)c1ccc(OCc2cn3ccccc3n2)cc1 8281130 SMTMLEAQICJYHZ-UHFFFAOYSA-N 361.376 4.305 0 40 FIAB CCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1ccccc1 8715188 ZALUDMABXCXREI-UHFFFAOYSA-N 360.339 4.101 0 40 FIAB O=C1C[C@@H](c2cccc(Br)c2)c2c(-c3ccccc3)n[nH]c2N1 9546551 VYPRGSLYFCOHPV-AWEZNQCLSA-N 368.234 4.313 0 40 FIAB NC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCC2 10373941 RZGAYQZRCSXMHF-UHFFFAOYSA-N 369.273 4.285 0 40 FIAB COc1ccc(F)cc1C(=O)CSc1ncnc2sc(C)c(C)c12 11175816 GPMRDJNRJOEIPB-UHFFFAOYSA-N 362.451 4.431 0 40 FIAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1nc2ccccc2s1)CC3 11851940 OLCBRRKGZBWENR-UHFFFAOYSA-N 356.406 4.349 0 40 FIAB Cn1ccnc1-c1cnc(NCc2ccc(F)cc2)nc1-c1cccs1 12087737 XCKWDQNEOCGUKX-UHFFFAOYSA-N 365.437 4.357 0 40 FIAB Nc1nc(SCCN2CCCC2)nc2scc(-c3ccccc3)c12 12324520 WKWMGGAORRHSLH-UHFFFAOYSA-N 356.520 4.128 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)NCC3CCCCC3)nc2c1 12532141 JQYLMRCQSYSOHH-UHFFFAOYSA-N 358.507 4.340 0 40 FIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1c(Cl)cccc1Cl 12798187 OTFPHBFYDHGCMN-NSHDSACASA-N 363.244 4.300 0 40 FIAB C[C@@H](NC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccccc1 12928133 JEORSIFIRWRAEO-GOSISDBHSA-N 351.494 4.233 0 40 FIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(F)cc1F 13161708 IIBIZTOXBIRDKO-UHFFFAOYSA-N 353.781 4.225 0 40 FIAB O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 13688057 HMNFKPRPJUVKLT-UHFFFAOYSA-N 368.502 4.185 0 40 FIAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1cccc(F)c1 13728834 VYOYDGBNBGWEIE-UHFFFAOYSA-N 369.465 4.275 0 40 FIAB O=C1COc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2N1 14137385 WAZMJIQTCYMOFV-UHFFFAOYSA-N 360.369 4.062 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 14707956 VWFMBOMYDWQBMB-UHFFFAOYSA-N 374.868 4.216 0 40 FIAB COc1ccc(NC(=O)[C@H](N[C@H](C)C2CC2)c2ccccc2)cc1Cl 15504406 IQGAIIHSUQCELO-BFUOFWGJSA-N 358.869 4.417 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2NC1=O 15585879 HUOYLHBLAHWEQW-QMMMGPOBSA-N 350.802 4.164 0 40 FIAB CCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21 17198428 LIQJUSTWLWJXCU-UHFFFAOYSA-N 366.446 4.317 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1OC(F)F 19200281 SHCKKHNSITYZOC-UHFFFAOYSA-N 361.373 4.367 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2ccncc2C)cc1OC 19239548 QXFAHLQQSDYZIG-ZZTDLJEGSA-N 366.505 4.469 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20143911 RSIJNUQSBFIZMI-UHFFFAOYSA-N 365.429 4.327 0 40 FIAB Cc1cc(NC(=O)CSc2ccccc2)ccc1-c1ccc(CO)o1 20151177 YXAHBUJASYNMQQ-UHFFFAOYSA-N 353.443 4.478 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(nc4nc5ccccc5n4c3C)C2)cc1 20635344 YQPIYJOFXYDJPS-HNNXBMFYSA-N 357.413 4.112 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(O)=N2 20714447 JRSJNWRSKJISQY-OAHLLOKOSA-N 371.853 4.048 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2occc2COc2ccccc2)cc1F 21403647 VLGBAOQRNRDIFM-AWEZNQCLSA-N 369.392 4.497 0 40 FIAB Cc1cccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3Cl)no2)c1 21806572 IYUHAKQIUHTKRS-LBPRGKRZSA-N 357.797 4.104 0 40 FIAB Cc1ccccc1COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 22067102 YHUVJWYZZGMARW-QFIPXVFZSA-N 373.452 4.080 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@@H]1CCCCO1)CC2 24787403 IVBSQJXXVFTDNJ-HRAATJIYSA-N 373.518 4.282 0 40 FIAB COc1ccc2nc(C)c(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2c1 25812743 SXVWVEOCKDXREU-UHFFFAOYSA-N 364.420 4.496 0 40 FIAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@H](C)CC4)cc(=O)c2cc1Cl 27750430 HGQJAVYVOWLHFK-SECBINFHSA-N 372.808 4.120 0 40 FIAB CC(C)C[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1 30849136 GBRGMEZMCWIULG-QFIPXVFZSA-N 366.505 4.036 0 40 FIAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 32810791 KYDZKSDZJAJSDJ-CYBMUJFWSA-N 365.458 4.452 0 40 FIAB O=C(CSC1=N[C@@H]2CCCC[C@@H]2O1)N1c2ccccc2[C@@H]2CCCC[C@H]21 37613814 CVBUAWPIJKKUHS-ISARSNTHSA-N 370.518 4.490 0 40 FIAB O=C(CCNC(=O)c1cccs1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117440 SIDQWCPXJYNLIH-LJQANCHMSA-N 374.481 4.055 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC(Cc2ccccc2)CC1 44087522 SIAOPIBAYVPXGA-UHFFFAOYSA-N 362.433 4.223 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875265 NDBKUMZCBRQIGK-LJQANCHMSA-N 366.505 4.065 0 40 FIAB O=C(NCc1ccc(F)cc1)Nc1cccc(COCc2ccco2)c1 47602617 IZLLWLNBZPAQJC-UHFFFAOYSA-N 354.381 4.457 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(-c2cnco2)c1 48204529 PUBPBDHKTJIYPM-UHFFFAOYSA-N 351.387 4.239 0 40 FIAB Cc1csc(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)n1 48324994 RJQZWYAQKKOSQY-AWEZNQCLSA-N 350.509 4.024 0 40 FIAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1 48341583 JMXFLRGCLQSYLY-ROUUACIJSA-N 354.494 4.007 0 40 FIAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2ccc(O)cc2)C1 49550007 CKQAHAALWHHFEN-MRXNPFEDSA-N 353.809 4.414 0 40 FIAB CCOc1ccc2nc(SC(=N)Nc3nc(C)cc(C)n3)sc2c1 51367095 PFBJFMJOJNTABW-UHFFFAOYSA-N 359.480 4.241 0 40 FIAB CC(C)CN1COc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c2C1 54313679 YMCATXWJLSFSON-UHFFFAOYSA-N 353.393 4.407 0 40 FIAB biogenic CCCCOc1ccc(CNC(=O)c2nccc3ccccc23)cc1OC 72055133 CDPUQQBGUXREKZ-UHFFFAOYSA-N 364.445 4.352 0 40 FIAB Cc1noc2ncc(C(=O)NCCCc3ccc(Cl)c(Cl)c3)cc12 84067922 CXYHOSZYFCXQAJ-UHFFFAOYSA-N 364.232 4.201 0 40 FIAB O=C(/C=C/c1ccsc1)NCc1ccc([C@@H](O)c2cccs2)s1 85562204 KKNVARLJOCAEAD-ZVVFDCPKSA-N 361.513 4.282 0 40 FIAB CN(C)C[C@H](NCc1c(-c2ccccc2)nc2ccccn12)c1ccccc1 95406252 WRQIOPUOMJVHBX-NRFANRHFSA-N 370.500 4.394 0 40 FIAB Cc1cc(C(=O)NNc2ccccc2C(F)(F)F)c(C)n1-c1ccccn1 95949027 RMGXBXOCYVBEDM-UHFFFAOYSA-N 374.366 4.265 0 40 FIAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc(Cl)s1 96119788 GYPZQIBDBZQDIR-UHFFFAOYSA-N 351.836 4.217 0 40 FIAB Cc1ccc(C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C)cc1 100313261 LIPCTGGFOGLSIF-GUYCJALGSA-N 361.363 4.382 0 40 FIAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NC(=O)[C@@H]4CC=CCC4)n3)cc21 101469355 XVHOPZDLXDGZNC-NWDGAFQWSA-N 353.447 4.161 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)c3ccc(Cl)cc3Cl)no2)cc1 107853392 HWOUVJKZYDNJNQ-UHFFFAOYSA-N 362.216 4.282 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2F)cc1C 219511885 LRQNIHNHNPIHPU-MRXNPFEDSA-N 361.482 4.259 0 40 FIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)c(O)c(C)c3)N21 222654329 BMPKATLNICCAHK-CGTJXYLNSA-N 353.491 4.383 0 40 FIAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1 222875702 WHWMHHWVCGYXPS-UHFFFAOYSA-N 358.485 4.368 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(NC(C)=O)cc1 223242990 XCTUVJALWLLTGH-NRFANRHFSA-N 366.461 4.320 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC)cc1 223625986 DYFXRAFVUMEHEN-OAQYLSRUSA-N 353.462 4.048 0 40 FIAB COc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224290077 HPZZURFLWOHEFE-UHFFFAOYSA-N 354.341 4.061 0 40 FIAB O=C(Cc1ccc(Cl)cc1F)NCc1cccc(CN2CCCCC2)c1 224699191 PJSPKJUMABVHAX-UHFFFAOYSA-N 374.887 4.324 0 40 FIAB O=C(COc1cccc2c1CCCC2)Nc1cccc(Br)c1 225749871 LQBBMSUKPAVQEU-UHFFFAOYSA-N 360.251 4.345 0 40 FIAB Cc1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Br)cc1 226357202 DDJQNDZZNPXHGO-WEVVVXLNSA-N 360.207 4.108 0 40 FIAB O=C(c1ccoc1)N1CCC2(CCc3ncc(-c4ccsc4)n3C2)CC1 306136729 QBBRGZVZWBKVBG-UHFFFAOYSA-N 367.474 4.073 0 40 FIAB Cc1ccccc1Nc1scnc1C(=O)NC[C@@H](C)c1ccncc1 1642246923 DXGAMQQJEWNRJU-CQSZACIVSA-N 352.463 4.124 0 40 FIAB C[C@H](O)c1ccc(CNC(=O)c2ccc(C3SCCS3)cc2)cc1 58411356 JYEHHECIHLMDRX-ZDUSSCGKSA-N 359.516 4.149 0 40 FIAB O=C(CCc1ccc(Cl)s1)NC1CCN(CC2CCCCC2)CC1 58424418 FKXJWSKOWFGHMA-UHFFFAOYSA-N 368.974 4.495 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCC(C)CC1 28070038 RDRVCMMBKJGTQB-UHFFFAOYSA-N 359.901 4.048 0 40 FIAB Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 1006548 NIGFNJBODNZZNL-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB Cc1c(C[C@@H](C)O)c(=O)oc2cc(OCc3ccccc3)c(Cl)cc12 2369791 NHJKNVYYFBVHKO-GFCCVEGCSA-N 358.821 4.257 0 40 FIAB C[C@@H](NC(=S)Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccccc1 2782285 XCKMQQBBTSNIMI-CYBMUJFWSA-N 371.897 4.027 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2ccn(Cc3ccccc3Cl)n2)c1 6297793 URWPCURLYCTGGM-UHFFFAOYSA-N 368.824 4.431 0 40 FIAB Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)c(Br)c1 51319003 UFJNFPYXCHYAAL-UHFFFAOYSA-N 371.234 4.163 0 40 FIAB Cc1sc(NC(=O)COC(=O)c2ccccc2F)nc1-c1ccccc1 6796300 NZLGUVGTWHXRHI-UHFFFAOYSA-N 370.405 4.053 0 40 FIAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1ccco1 20722740 OWUFVAIUGKCQRK-UHFFFAOYSA-N 372.428 4.292 0 40 FIAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O 59419005 XGMHJWNUTGSAML-GHRIWEEISA-N 362.495 4.201 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 8041630 RULCPGBJLGZKJR-OAHLLOKOSA-N 354.450 4.254 0 40 FIAB CCc1ccc(C[C@H]2SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 8085479 JTQFWXIMUVUGJC-LJQANCHMSA-N 369.486 4.243 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1Br 32467706 RZXMSRBSQQRHJX-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c(C)c1 8670224 IGFNRAFAQVZOFX-AYHJJNSGSA-N 369.534 4.378 0 40 FIAB Fc1ccccc1N1CCN(Cc2cc(-c3ccc(Cl)cc3)on2)CC1 52525315 PESAFWKWSHILNV-UHFFFAOYSA-N 371.843 4.456 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1 9232742 VWBOMYKUJWRFCU-KRWDZBQOSA-N 368.477 4.114 0 40 FIAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)CC1 100199412 XTYXTNONMBWVCA-XHSDSOJGSA-N 364.536 4.118 0 40 FIAB Cc1cc(C)c(NC(=O)c2ccc(I)cc2)c(C)c1 787463 AUEFLYGUULOHDS-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NCc1cccs1 103540706 GYAUPQIGOSLOAT-SCQRFTTHSA-N 368.340 4.488 0 40 FIAB CCCCCC(=O)Nc1ccc2nn(-c3ccc(OCC)cc3)nc2c1 20610259 DXCVASSPMRDBRV-UHFFFAOYSA-N 352.438 4.338 0 40 FIAB CN(CCOc1cccc(Cl)c1)C(=O)c1cc2ccccc2cc1O 24188722 WPSITLKUBHNGRC-UHFFFAOYSA-N 355.821 4.350 0 40 FIAB CSc1cc(C(=O)CSc2ncccc2Cl)ccc1NC(C)=O 43243070 OCGGBSGKPMRCBF-UHFFFAOYSA-N 366.895 4.390 0 40 FIAB COc1ccccc1O[C@H](C)c1cc(O)n2ncc(-c3ccccc3)c2n1 100776273 VGHLWXBPWZSEEZ-CQSZACIVSA-N 361.401 4.251 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1cc(-c2ccccc2)sc1C(=O)O 10031501 MUBQTTTVIPYHLY-UHFFFAOYSA-N 370.430 4.289 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](c1ccccc1)c1ccccn1 12597892 CWDOBCKGEVFENR-OAQYLSRUSA-N 366.848 4.328 0 40 FIAB CCN(CC)C(=O)c1oc2ccccc2c1CSc1nnc(C)s1 58309397 ONBSNZHPODBQMT-UHFFFAOYSA-N 361.492 4.367 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 7196377 AUQLJVMCYAEBSL-LBPRGKRZSA-N 358.419 4.400 0 40 FIAB CCc1noc(COc2ccc(Cl)cc2C(=O)Nc2ccccc2)n1 29144893 CVLRKAICBXEFBI-UHFFFAOYSA-N 357.797 4.117 0 40 FIAB Cc1ccc(-c2csc3nc(CN4C[C@@H](C)C[C@H](C)C4)[nH]c(=O)c23)cc1 3350336 KBDRHUZZQHFZJX-GJZGRUSLSA-N 367.518 4.438 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)c1ncc(Cl)c(Cl)c1Cl 7215767 JAJGAICENLDJST-SNVBAGLBSA-N 357.624 4.295 0 40 FIAB O=C(O)CCN(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 12851963 XEYQQHWBVUPGNT-UHFFFAOYSA-N 366.244 4.039 0 40 FIAB Cc1nc(Nc2ccc3c(c2)OCCO3)sc1C(=O)Nc1ccccc1 3458848 LRUQYBDOIKMUAV-UHFFFAOYSA-N 367.430 4.219 0 40 FIAB COc1ccccc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 12975008 YDEXSSVQJJHWJE-UHFFFAOYSA-N 368.458 4.220 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(F)cc1 7477763 ZXYXOKAFZSNKDP-HNNXBMFYSA-N 366.392 4.056 0 40 FIAB COc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)c(OC)c1 3601631 AVFDOEANALQMKN-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cccc(Cl)c1 8314450 DJFMYNWIVJPMFP-SECBINFHSA-N 364.883 4.306 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 13006855 CCNKGIYKGRGJKG-LIRRHRJNSA-N 359.853 4.480 0 40 FIAB COC(=O)c1c(COC(=O)c2cc3ccccc3[nH]2)nc2ccccc2c1C 7503657 LDAACLWOFDTSMN-UHFFFAOYSA-N 374.396 4.168 0 40 FIAB COc1ccc(N[C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)cc1 38773125 ZCKDVNRHUXIKSZ-LBPRGKRZSA-N 360.483 4.034 0 40 FIAB Cc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(Cc2ccccc2)c1C 7778858 XHBHJXYROQVQRD-UHFFFAOYSA-N 359.473 4.450 0 40 FIAB Cc1[nH]c2ccccc2c1C1=CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 80915887 SOVBYIJDYURHFT-UHFFFAOYSA-N 373.500 4.467 0 40 FIAB Fc1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 14169271 UPEKWOBKACKKNY-UHFFFAOYSA-N 358.420 4.363 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1 5460719 FHQRKQLILHPUSS-UHFFFAOYSA-N 352.386 4.058 0 40 FIAB CC(C)CNC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 6537692 DJRCAIODZPEUBH-UHFFFAOYSA-N 369.465 4.300 0 40 FIAB C[C@H](NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1)c1cccs1 22746784 XCCDTWSYBCKYOW-NFOMZHRRSA-N 351.512 4.321 0 40 FIAB C[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccncc1 5636275 ADIAEJGTHVODPO-HNNXBMFYSA-N 374.469 4.487 0 40 FIAB CC(C)[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 6789673 XGEZJTQEGQFIFN-HXUWFJFHSA-N 351.402 4.331 0 40 FIAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(Cl)cc2)no1 14778209 DOFBTAJFTSATPC-GFCCVEGCSA-N 371.824 4.101 0 40 FIAB Cn1cc([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 4904278 WBSGEBAJSXUHLF-LJQANCHMSA-N 354.409 4.379 0 40 FIAB O=C(NC[C@H]1CCN(CCc2ccccc2)C1)c1ccc2ccccc2c1 95349624 FYKXAJWEGUGZOD-HXUWFJFHSA-N 358.485 4.134 0 40 FIAB COc1cccc2ncnc(N3CCC[C@H](c4nc5ccccc5o4)C3)c12 95467690 VUWUMVGPGQNDTG-AWEZNQCLSA-N 360.417 4.164 0 40 FIAB FC(F)[C@@H](CCc1ccccc1)NCc1cnn(Cc2ccccc2)c1 95996282 KNOITUCIQFPPNE-HXUWFJFHSA-N 355.432 4.288 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccc1CN(C)C 9917507 QGQLGVJSTIVENZ-UHFFFAOYSA-N 359.473 4.049 0 40 FIAB Clc1cccc2[nH]c(-c3cccc(I)c3)nc12 20156677 LYUQYFNCCXOZPR-UHFFFAOYSA-N 354.578 4.488 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)nc1 22839621 HRKMIEQSQJWFSP-UHFFFAOYSA-N 350.249 4.170 0 40 FIAB CCCC(=O)Nc1c(C)nn(COc2cccc(C(F)(F)F)c2)c1C 32610453 VSBKEVQGMOKKBC-UHFFFAOYSA-N 355.360 4.294 0 40 FIAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccc(F)cc1 35476455 SQNCYLPTQYZUTC-FQEVSTJZSA-N 359.466 4.230 0 40 FIAB O=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc(NCC2CC2)nc1 1557807169 IAEAVGHPDTWAOS-UHFFFAOYSA-N 368.868 4.011 0 40 FIAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(F)c(Cl)c2)n1 75359534 RJBDYMRCIMDISX-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB O=C(Nc1ncn(Cc2ccc(F)cc2)n1)Nc1cccc2ccccc12 32647550 ZSXDMVPYRKCGKR-UHFFFAOYSA-N 361.380 4.263 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 219530212 HYYXCAYUJHXDMY-FUHWJXTLSA-N 353.462 4.489 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 30853583 HTPKQAGKYQSFRT-IIBYNOLFSA-N 371.477 4.375 0 40 FIAB O=C(O)c1c(Cc2ccc(Cl)cc2)nc(Cl)nc1C(F)(F)F 71607029 KIPASEGVEYFGGO-UHFFFAOYSA-N 351.111 4.091 0 40 FIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cc(F)c(F)c(F)c3)c12 71281335 KRSCJGZHEZLACG-UHFFFAOYSA-N 362.355 4.070 0 40 FIAB O=C(N[C@H](Cc1ccccc1)c1ccccn1)N1CC(c2ccccc2)C1 1565436797 WTDHKBUXLRONRB-JOCHJYFZSA-N 357.457 4.174 0 40 FIAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 40122293 PGVZVPLYUCPYKE-OAQYLSRUSA-N 368.521 4.113 0 40 FIAB Cc1cccc(NC(=S)NCCSCc2ccccc2Cl)n1 225297711 XNRIYAPGJSBGGM-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB O=C(O)c1cn(-c2ccc(F)cc2)c2c1N=C(O)C[C@H]2c1ccsc1 40287877 HZHGTFKQCLJRNG-ZDUSSCGKSA-N 356.378 4.500 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222583383 QVRLUFHEOGWEHR-UHFFFAOYSA-N 351.381 4.160 0 40 FIAB CCc1ccc(OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)cc1 40128782 PMRMZVJFURFXEW-UHFFFAOYSA-N 371.433 4.192 0 40 FIAB CC(C)(C)OC(=O)NC[C@@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1 225752827 ZBGDYJWKCPTUHK-OALUTQOASA-N 351.446 4.350 0 40 FIAB Fc1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225819041 XIWKJRLKPYKLKH-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C)cc1C)CC(C)(C)O2 222829511 YWXLPDMVDSEQAM-GOSISDBHSA-N 369.461 4.109 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 224938561 AJAUCKYQIWXXQL-UHFFFAOYSA-N 360.461 4.092 0 40 FIAB O=C(NC1CCCCC1)c1snnc1-c1ccc(Br)cc1 225782216 BNKCIGPHJZLOEP-UHFFFAOYSA-N 366.284 4.030 0 40 FIAB O=C(Nc1nc2c(s1)CCCCCC2)c1cc2nccnc2cc1F 527321807 VKANVPOTMDFUDC-UHFFFAOYSA-N 356.426 4.137 0 40 FIAB CC(C)(C)OC(=O)NCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl 95869977 ZADVZEPSEXEPQI-UHFFFAOYSA-N 368.644 4.467 0 40 FIAB CCOC1CC2(CCN(C(=O)c3[nH]c(-c4cccc(Cl)c4)nc3C)C2)C1 585082586 LYSVNNPDMGXMOK-UHFFFAOYSA-N 373.884 4.070 0 40 FIAB Cc1cc(N2CCC(C)(c3ncc(Cc4ccccc4F)o3)CC2)ncn1 257332274 XWNIQZVUDCWEAR-UHFFFAOYSA-N 366.440 4.061 0 40 FIAB CNc1ccc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1 625931234 QEVJGEJFZKIVDN-AWEZNQCLSA-N 370.522 4.475 0 40 FIAB COc1ccc(-c2ccnc(NC(=O)Cc3cccc(Cl)c3F)n2)cc1 1131020802 HGWKJWDBTZVQJP-UHFFFAOYSA-N 371.799 4.126 0 40 FIAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC=C(c2ccccc2)C1 671915405 BSYURMCPLHVRFC-UHFFFAOYSA-N 356.429 4.150 0 40 FIAB COc1cccc(CNCc2ccc(Oc3cccnc3)c(F)c2)c1OC 58175132 BGTZSZXVTBLPBP-UHFFFAOYSA-N 368.408 4.320 0 40 FIAB Cc1nc2ccccc2c(N2CCC[C@@H](CNC(=O)c3ccco3)C2)c1C 509473959 XRUWUUKNCDIBEC-KRWDZBQOSA-N 363.461 4.091 0 40 FIAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2c(C)noc2C)sc1C 12228040 SEXCWLUSRDWUOR-CQSZACIVSA-N 361.492 4.140 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13685580 ZHJGEIRIARLODC-CQSZACIVSA-N 374.868 4.132 0 40 FIAB O=C(Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccccc2)CC1 15408442 SKVMXKMXEDTJGB-UHFFFAOYSA-N 357.841 4.223 0 40 FIAB Cc1nc([C@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2ccnc2)sc1C 19559717 LYVGZHDMILAXNS-WBMJQRKESA-N 374.535 4.069 0 40 FIAB CCOc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccccc1C#N 6439514 VLFYAOIPSOZPGW-BQYQJAHWSA-N 357.793 4.287 0 40 FIAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCn3cccc3[C@H]2C)c1Cl 21166136 UKCGUKAAPGJODM-GFCCVEGCSA-N 373.305 4.177 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NCCC2=CCCCC2)o1 21789889 CEKHTHAYEIEJDD-CYBMUJFWSA-N 361.467 4.125 0 40 FIAB Cc1ccc(SCCC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 4496540 XXOJGQSRBIAHPF-UHFFFAOYSA-N 357.410 4.305 0 40 FIAB Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(Cl)c(Cl)c2)n1 849818 GOXJGFHVFYUAHJ-UHFFFAOYSA-N 350.209 4.035 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1cc(Cl)ccc1Cl 1943848 GOYBPSGXECGPNV-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB O=C(c1ccc(COc2ccc(Cl)cc2Cl)cc1)N1CCOCC1 2751637 XWQPPPLSHBLXTJ-UHFFFAOYSA-N 366.244 4.045 0 40 FIAB O=C(NC1CCC(CC2CCC(NC(=O)C3CCC3)CC2)CC1)C1CCC1 3287098 KFMIAVUNJMJAIE-UHFFFAOYSA-N 374.569 4.327 0 40 FIAB Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1Cc1ccco1 3354954 CPCPEAKBKWGDJP-HNNXBMFYSA-N 357.479 4.461 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)/C=C/c1ccc(F)cc1 3360004 GIIJRHOPDIAZPL-FMIVXFBMSA-N 353.349 4.401 0 40 FIAB O=C(COC(=O)c1ccccc1Br)c1ccc(Cl)s1 3530413 BALMSUZLKNWVHC-UHFFFAOYSA-N 359.628 4.204 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2)o1)c1ccccc1 3556700 PUVXJRNREQZGOF-AWEZNQCLSA-N 353.447 4.270 0 40 FIAB COC(=O)[C@H]1CC[C@@](C)(C(O)(c2ccccc2)c2ccccc2)OC1(C)C 3845822 UININOSXDBGDQN-KNQAVFIVSA-N 368.473 4.059 0 40 FIAB biogenic CCOC(=O)c1ccccc1NC(=S)N1CC=C(c2ccccc2)CC1 3906990 LQTKBRXUTOMTBD-UHFFFAOYSA-N 366.486 4.349 0 40 FIAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1Br 4664877 YWVKMVVLVWWFKH-CQSZACIVSA-N 362.267 4.126 0 40 FIAB CCCCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccoc1C 4860324 APYRTUBROGVFAK-UHFFFAOYSA-N 370.478 4.377 0 40 FIAB COc1ccc2nc(Cl)c([C@H]3CC(c4ccco4)=NN3C(C)=O)cc2c1 4980725 YOOCZCREEIZXSB-QGZVFWFLSA-N 369.808 4.187 0 40 FIAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccco3)N(C)C)sc2c1 5484071 KSYAOLJFERBQLB-CYBMUJFWSA-N 362.882 4.489 0 40 FIAB CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C 6079200 CMOBQDCPQQHARZ-XSXQVXRUSA-N 372.509 4.143 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc2ccccc2s1 6113362 OGNNPDJLBHBUDR-LBPRGKRZSA-N 355.415 4.094 0 40 FIAB Cn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1ccncc1 7729587 PSEOLPNYOGBVIS-UHFFFAOYSA-N 371.516 4.354 0 40 FIAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(OC(F)F)c1 7886615 CJZJGVMWJLAADZ-QGZVFWFLSA-N 362.376 4.273 0 40 FIAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 8036841 IMQVNQDZEIEHIC-QGZVFWFLSA-N 373.452 4.467 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(N2CCCC2=O)c1 8133924 CHNFINFTQRBCRN-UHFFFAOYSA-N 363.244 4.050 0 40 FIAB FC(F)C(F)(F)Oc1cccc(-c2nnc(S)n2-c2ccccc2)c1 8436423 YIFBOCSDZHJDFZ-UHFFFAOYSA-N 369.343 4.460 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nnc(CCCc2ccccc2)s1 9227182 RLAYWNRHNQCKNA-UHFFFAOYSA-N 355.438 4.034 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2cnc3ccccc32)cc1 9833343 LRIJASOGHCVPJP-IBGZPJMESA-N 369.424 4.279 0 40 FIAB C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccncc1 11594053 MCFLXVIPZJOERC-OAHLLOKOSA-N 370.412 4.290 0 40 FIAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1 11914154 OHDXDMSIWDSMCK-UHFFFAOYSA-N 355.369 4.307 0 40 FIAB O=C(CCn1ncc2ccccc21)NC1(c2cccc(F)c2)CCCC1 12143143 JAGVHSZNWWPNKC-UHFFFAOYSA-N 351.425 4.151 0 40 FIAB Clc1ccc(-c2nc(NCc3ccncc3)ncc2-c2ncc[nH]2)cc1 12221825 KMULACTUAFSORI-UHFFFAOYSA-N 362.824 4.194 0 40 FIAB O=C(CSc1nc2ccccc2s1)NCCCOC1CCCCC1 12953054 SCZPLOZZTNRCOI-UHFFFAOYSA-N 364.536 4.244 0 40 FIAB Oc1cc(O)c2sc3nc(-c4ccncc4)cc(C(F)(F)F)c3c2n1 13401791 SRTQIISYGUSLIN-UHFFFAOYSA-N 363.320 4.337 0 40 FIAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)CC 13733660 AVHVFRXKRURFAY-UHFFFAOYSA-N 362.495 4.005 0 40 FIAB O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccc(F)cc1)C1CC1 14241125 CLRVHYPAHQXNNO-UHFFFAOYSA-N 374.264 4.486 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccccc1OC 14361239 KSUQPGSQQRUWKU-BUHFOSPRSA-N 367.445 4.015 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3F)CC2=O)c1C 14424340 WKULUZKFBQBVNL-ZDUSSCGKSA-N 360.816 4.088 0 40 FIAB O=C(CNC(c1ccccc1)c1ccccc1)N1CCC(c2ccccc2)=N1 15403476 OLZFACOWAVDTQI-UHFFFAOYSA-N 369.468 4.002 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nnnn1C1CCCCC1 16295017 IKIWGVMYPXVIML-UHFFFAOYSA-N 360.483 4.072 0 40 FIAB O=C(NCCOc1cccc2cccnc12)c1ccc(Cl)c(Cl)c1 16448798 VHXJRJDXPYSJTH-UHFFFAOYSA-N 361.228 4.350 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 17971160 WVGQHTRDEFFMFR-AWEZNQCLSA-N 364.401 4.032 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 19295669 ZSUHNFMVQUDBQU-ZDUSSCGKSA-N 355.825 4.200 0 40 FIAB COc1cc2c(cc1OC)CN(Cc1c(C(C)C)[nH]c3ncccc13)CC2 19451532 POTHXJUEVKEXIC-UHFFFAOYSA-N 365.477 4.262 0 40 FIAB C[C@@H]1CN(C2(n3nnc4ccccc43)CCC(C(C)(C)C)CC2)C[C@@H](C)O1 19830963 HEBZANDPEIGMJC-QGUMVPPKSA-N 370.541 4.430 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCc4ccccc43)ncnc21 20662158 PCLHCJBRSRLUCK-UHFFFAOYSA-N 361.836 4.472 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1Cc2ccccc2O1 21531223 LTRVLMGCADWMHK-FQEVSTJZSA-N 356.381 4.437 0 40 FIAB Cc1cnc2c(S(=O)(=O)Nc3ccc4nc(C)sc4c3)cccc2c1 23371499 KVSPTVOFBAHYKI-UHFFFAOYSA-N 369.471 4.262 0 40 FIAB O=C(Nc1ccccc1)C1CCN(Cc2nc3ccccc3s2)CC1 23818530 XUDOZHOFGWYZJH-UHFFFAOYSA-N 351.475 4.147 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cccc(C(F)(F)F)c1 24689172 SZWBMCRLGLMIRZ-UHFFFAOYSA-N 351.324 4.048 0 40 FIAB CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)n1 27770884 ZABXLXZSBZSQPN-JTQLQIEISA-N 363.874 4.324 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cccc(OCc3c(C)noc3C)c2)o1 29271455 ULRDIHMKJWLOGV-UHFFFAOYSA-N 354.406 4.044 0 40 FIAB COC(=O)C[C@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccccc1Cl 29327969 IWNSOXDEMDEFON-GUYCJALGSA-N 360.841 4.005 0 40 FIAB CC(=O)c1cccc(NCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 30289223 ZNMWWRUTSAWOBJ-AWEZNQCLSA-N 354.475 4.219 0 40 FIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 31334804 FMWJYOYZUBNVRI-GDBMZVCRSA-N 374.868 4.005 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(Oc2ncccn2)c1 32027522 FNNSEKAHOMPUAW-UHFFFAOYSA-N 355.781 4.183 0 40 FIAB C[C@@H](c1ccc(F)cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804146 WEPCRBJQGWSVEC-KRWDZBQOSA-N 366.480 4.184 0 40 FIAB Cc1ccc(NC(=O)N[C@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 32814630 NJXQGLPTYOAMJR-IBGZPJMESA-N 365.477 4.105 0 40 FIAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccc4c(c3)CCC4)n2n1 32871535 YVSDNXRKNREZCH-UHFFFAOYSA-N 374.469 4.050 0 40 FIAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(CN[C@@H](c1ccccc1)C(C)(C)C)C2=O 32911744 MNRPXOCBBMECMK-NUJGCVRESA-N 371.525 4.068 0 40 FIAB O=C(CCC(=O)N(Cc1cccnc1)C1CC1)c1ccc2ccccc2c1 32970081 IQLFMRKQAAKNDY-UHFFFAOYSA-N 358.441 4.389 0 40 FIAB COc1ccc2c(c1)[C@H](C)N1C(=O)c3cc(Br)ccc3[C@H]1O2 35324743 WHKBCPQATIEFFO-HUTHGQBESA-N 360.207 4.066 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 36661287 AHCWSRBGFKIPHD-QGZVFWFLSA-N 364.493 4.424 0 40 FIAB CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38834353 MIKSYOYJGICRDN-KRWDZBQOSA-N 356.441 4.075 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2)cc1F 40106530 STRKDHXQTLNCTQ-GFCCVEGCSA-N 351.805 4.134 0 40 FIAB CCCOc1ccc2cc(S(=O)(=O)Nc3ccccc3O)ccc2c1 41092055 CPRKUPLLCJNMHT-UHFFFAOYSA-N 357.431 4.135 0 40 FIAB CCc1noc([C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)n1 42651251 FULXWXBIZFDMMT-GFCCVEGCSA-N 355.467 4.003 0 40 FIAB CC(=O)Nc1cc(NC(=O)NCc2ccc(C(F)(F)F)cc2)ccc1F 44015815 XECCFIQXPPLVGE-UHFFFAOYSA-N 369.318 4.125 0 40 FIAB Cc1ccc2nc(CN(C3CC3)[C@H](C)c3ccccc3Cl)cc(=O)n2c1 47257593 PVLNYSJSGQRDFQ-OAHLLOKOSA-N 367.880 4.382 0 40 FIAB Cc1ccc(NC(=O)CSc2ccc(N3CCCCCC3)nn2)cc1F 49001671 QQJNOSLPLCIEEZ-UHFFFAOYSA-N 374.485 4.035 0 40 FIAB CCn1c(CN[C@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2ccccc21 54173575 SVJCRXFARGVVCW-OAHLLOKOSA-N 362.477 4.256 0 40 FIAB C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CCN1Cc1ccc(F)cc1 57776467 WLXOZEARQHOEBW-IERDGZPVSA-N 370.443 4.048 0 40 FIAB CCn1cc(NC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)cn1 58159262 TUJGSNLWCOTCPF-UHFFFAOYSA-N 351.454 4.104 0 40 FIAB CCCN(C)c1ccc(C(=O)NCc2ccccc2CN(C)C(C)C)cc1 58162412 FNZAXLUEKUCKQQ-UHFFFAOYSA-N 367.537 4.303 0 40 FIAB O=C(NCc1nc(-c2ccsc2)no1)c1ccc(OC2CCCC2)cc1 65603374 FNTXRPXDUJPZHV-UHFFFAOYSA-N 369.446 4.050 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)CCc2ccccc2F)cc1OCC 69539345 PLZYAZAFPZANBP-HNNXBMFYSA-N 359.441 4.433 0 40 FIAB CCCCc1noc([C@H](C)Sc2nncn2CCc2cccs2)n1 69947679 JDNCKMHBFLIKGK-LBPRGKRZSA-N 363.512 4.161 0 40 FIAB O=C(CCc1ccccc1)Nc1cccnc1Oc1ccc2c(c1)OCO2 71279800 YUPNWKXEDZCBMM-UHFFFAOYSA-N 362.385 4.174 0 40 FIAB COc1ccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)cc1 71889974 QBQSXJDWZQCZOH-UHFFFAOYSA-N 356.466 4.298 0 40 FIAB Cc1cccc(-c2nc(CC(=O)OCCCc3cccnc3)cs2)c1 72703744 YDYPGYXTJLTPPW-UHFFFAOYSA-N 352.459 4.232 0 40 FIAB CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCC(=O)c1ccc(C)s1 95457866 ALFFADDILFGQSS-ORAYPTAESA-N 363.454 4.051 0 40 FIAB COc1cc(CN2CCC[C@@H]([C@H](C)O)C2)ccc1OCc1ccc(F)cc1 96003582 RVPDFAUNTVWFSN-QFBILLFUSA-N 373.468 4.006 0 40 FIAB F[C@@H]1CN(Cc2c[nH]c3ccccc23)C[C@@H]1OCc1nc2ccccc2o1 96112096 VUWJMARBVQJSLW-UZLBHIALSA-N 365.408 4.048 0 40 FIAB biogenic,in-vitro CC[C@](CNS(=O)(=O)c1cccc2ccccc12)(OC)c1ccccc1 96391936 SQWYRLWJACBYJW-OAQYLSRUSA-N 369.486 4.070 0 40 FIAB CC(=O)N[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C)cc21 101474064 FUGZWALXCJISKL-QGZVFWFLSA-N 363.244 4.026 0 40 FIAB Cc1ccc([C@H]2C=C(c3cccc(Br)c3)Nc3ncnn32)cc1 102568435 AZCZQOWCCAQYCH-QGZVFWFLSA-N 367.250 4.405 0 40 FIAB CCCC[Sn](I)(CC)CC 195774014 OLWNHKCECDKZQZ-UHFFFAOYSA-M 360.855 4.207 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 222842019 RKFJZEUPWDGUDI-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 223421608 RVTUHRQJXFUQJK-ZDUSSCGKSA-N 373.324 4.427 0 40 FIAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 223898040 MCQKPAAWRBODJY-MRXNPFEDSA-N 373.324 4.427 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)[nH]1 224421858 IGLFVFPZKGJTST-OALUTQOASA-N 366.465 4.343 0 40 FIAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1 224602720 CIEOGFSZRWVEJW-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB Cn1c(=O)sc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 225019174 HBVLEDXDZKNQHY-UHFFFAOYSA-N 374.465 4.371 0 40 FIAB Cc1ccc(NC(=S)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 225456014 BOFBHGCEQIRDLA-UHFFFAOYSA-N 352.463 4.182 0 40 FIAB CSc1ccccc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801326 FVROPNBPPFKRRS-UHFFFAOYSA-N 357.410 4.169 0 40 FIAB COC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2F)ccc1Cl 225816835 FHJYOLOIDDXVQD-UHFFFAOYSA-N 356.180 4.100 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 225918022 DGAAFGYOIVTCNV-UHFFFAOYSA-N 360.417 4.292 0 40 FIAB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccccc1Cl 226338465 XWSUCEOHAIGZJP-VQHVLOKHSA-N 357.797 4.063 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2)c1 408595778 OGGIMXGDLPNLSG-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc3C2)CC1 408603057 ALPOQWRMWANZGG-UHFFFAOYSA-N 354.881 4.003 0 40 FIAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1O 409005484 FBXWSONZLDDJDH-AQTBWJFISA-N 369.442 4.070 0 40 FIAB FC(F)Oc1ccc(CCc2noc(-c3ccncc3Cl)n2)cc1 545030594 VNUKMXHSJCHTDK-UHFFFAOYSA-N 351.740 4.172 0 40 FIAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccccc1Br 575619186 AMAUDQAAVVFZQJ-UHFFFAOYSA-N 357.207 4.034 0 40 FIAB c1cncc(COCC[C@@H]2CCOC23CCN(CC2CCCC2)CC3)c1 585103609 BXWXOCZSJYREDO-OAQYLSRUSA-N 358.526 4.050 0 40 FIAB CCc1cccc2c(C3CCN(C(=O)c4cn5ccccc5n4)CC3)c[nH]c12 618338394 WZWGLHXERRKHDV-UHFFFAOYSA-N 372.472 4.398 0 40 FIAB Cc1cc(N2C[C@H](c3ccccc3C)OC[C@@H]2C)nc(-c2ccccn2)n1 674066552 QGBAFLKAZAZQJP-FXAWDEMLSA-N 360.461 4.122 0 40 FIAB O=c1oc(-c2cccs2)nn1Cc1ccccc1OCc1ccccc1 1307282149 YEVYGDZXJXWUTP-UHFFFAOYSA-N 364.426 4.192 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1nc2ccccc2s1 1775968886 OLVJWVFZSFNNEN-LBPRGKRZSA-N 370.455 4.081 0 40 FIAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccc(-c2cccs2)o1 1889046857 XEYCKUHBWBKKLQ-HNNXBMFYSA-N 373.499 4.340 0 40 FIAB Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccc(C(F)(F)F)c2)cc1 721427 NLBNUIMGGAYZQV-UHFFFAOYSA-N 370.338 4.047 0 40 FIAB Cc1cccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c1 1321132 LPSJWGYZBFSLQZ-HNNXBMFYSA-N 367.518 4.361 0 40 FIAB O=C(Nc1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359901 CUSGGMYPUDBZKU-OAHLLOKOSA-N 366.396 4.287 0 40 FIAB CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1ccc(F)cc1 1392083 RYZUKNHBYRLJME-UHFFFAOYSA-N 355.394 4.006 0 40 FIAB COc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 2161198 HRBVMFYKQGHPAH-UHFFFAOYSA-N 352.912 4.427 0 40 FIAB CCOC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O 2549563 FSGQEEMFAWMSNU-ZDUSSCGKSA-N 370.474 4.174 0 40 FIAB Cc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1 2806465 KHQNLFKBKKZEHR-UHFFFAOYSA-N 356.385 4.425 0 40 FIAB O=C(NCCC1=CCCCC1)C1CCN(c2nc3ccccc3o2)CC1 3048376 BBNGQVDNEZAJDN-UHFFFAOYSA-N 353.466 4.051 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)c1 3224137 ILYMQMLOVRLRKC-FQEVSTJZSA-N 364.470 4.409 0 40 FIAB Cc1cccc(C)c1OCCn1nnc(-c2cccc(C(F)(F)F)c2)n1 3331328 AAKVXZYSKRNGAF-UHFFFAOYSA-N 362.355 4.055 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 3348227 XZZMENHZKKVAPS-UHFFFAOYSA-N 367.426 4.482 0 40 FIAB CC(C)n1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 3428564 VMGLRVYCNSUFQD-UHFFFAOYSA-N 368.462 4.382 0 40 FIAB CC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 3667948 LZUZLKOMRWQLNU-UHFFFAOYSA-N 371.396 4.408 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2F)CSC3)cc1 3893218 GPQKMBNQQOTRKJ-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1C 4315638 HXDLCJOLBJUZCH-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2ccc(-c3cccnc3)nn2)c(C)c1 4358050 AIKDUJXWQVTRNU-UHFFFAOYSA-N 364.474 4.195 0 40 FIAB Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(C(C)C)c2ccccc21 4554747 AOZNBJDHKXSOSI-HSZRJFAPSA-N 365.473 4.334 0 40 FIAB CCCCN1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4554907 ZRCMDYPMTHFTAF-DEOSSOPVSA-N 373.452 4.447 0 40 FIAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1O 4922657 SRVMFEYUCSCPND-UHFFFAOYSA-N 361.397 4.163 0 40 FIAB COc1ccc(Cl)cc1NC(=O)C[C@@H](C)n1nc(C)c(Cl)c1C 4937334 NCPUTDNOMIAGEV-SECBINFHSA-N 356.253 4.405 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 5786183 UGRRCKODPCHHDC-GGMIUFRYSA-N 370.276 4.245 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2cccc3cccc1c23 6408683 ZICHMXFDPDLKSO-LBPRGKRZSA-N 350.805 4.481 0 40 FIAB Oc1ccc(Br)cc1/C=N/Nc1ccc(C(F)(F)F)cn1 6866460 AAZWWZQCMOIUQK-KPSZGOFPSA-N 360.133 4.015 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(F)cc2)N1c1ccc2c(c1)OCO2 7885021 YZXJRVYOEVLVTP-FQEVSTJZSA-N 362.360 4.326 0 40 FIAB O=c1[nH]c(SCc2nc3ccccc3o2)nc2sc3c(c12)CCCC3 7901288 QZJQJSWUKYKDLG-UHFFFAOYSA-N 369.471 4.297 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2ccccc2)c1 8162745 GYWFBCJYIHIQQO-UHFFFAOYSA-N 356.813 4.237 0 40 FIAB COc1ccc(-c2n[nH]c(SCc3coc(-c4cccs4)n3)n2)cc1 8343540 XXTSQYONKANRLO-UHFFFAOYSA-N 370.459 4.489 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1 8477651 IBJXLUSDHAKJHK-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccccc3OCC)ccc21 9136708 HDTIRMPPCRWJFM-UHFFFAOYSA-N 366.461 4.417 0 40 FIAB CSc1ccc(NC(=O)CSc2nncn2-c2ccccc2C)cc1 9322657 CNGVLRLTHRMLAK-UHFFFAOYSA-N 370.503 4.028 0 40 FIAB O=C(NCCCOCc1ccccc1)c1c[nH]nc1-c1ccc(Cl)cc1 10135652 CFANVIRVJMUSBD-UHFFFAOYSA-N 369.852 4.067 0 40 FIAB O=C(NCC1(c2ccccc2)CCC1)c1cc(F)ccc1Br 10221837 HNHOIIRNIZGMOK-UHFFFAOYSA-N 362.242 4.440 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10902553 NRYKGWKVCVJGQG-OAHLLOKOSA-N 368.502 4.141 0 40 FIAB Cc1cc(C)c(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c(Cl)c1 10945460 LFQWNLWJUXLHJU-CQSZACIVSA-N 371.868 4.133 0 40 FIAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1c(F)cccc1F 11620687 ZIUFZAAJCRBIBE-UHFFFAOYSA-N 365.811 4.269 0 40 FIAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12525145 UGZRTLHJYRIPNP-QGZVFWFLSA-N 363.461 4.252 0 40 FIAB Cc1c(O)ccc2c(CN(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc(=O)oc12 12767718 UOKOUJXRDREHBW-SJKOYZFVSA-N 353.418 4.155 0 40 FIAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N(Cc1cccs1)C1CC1 12907237 ONQHTZPNCBRUDA-UHFFFAOYSA-N 362.303 4.408 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccc(F)cc1Cl)O[C@@H](C)C2 12977259 QYXGEZTXKXFXMY-NSHDSACASA-N 363.816 4.131 0 40 FIAB CSc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)s1 12982420 UMHPIVHNDRIKQN-UHFFFAOYSA-N 356.885 4.256 0 40 FIAB CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2c(OC)cccc2OC)cc1 13109425 RMHXMSHQABWHFZ-CQSZACIVSA-N 356.418 4.085 0 40 FIAB COc1ccc(-c2nnc3sc(-c4ccc(C)c(C)c4)nn23)cc1OC 13495720 JLAZLRMWCRSNFC-UHFFFAOYSA-N 366.446 4.154 0 40 FIAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(C)cc1 15015176 ALXCKXNQCZQURN-SFHVURJKSA-N 371.502 4.027 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(O)c2ccccc2oc1=O 16525266 CJPACTUIIXXXPO-UHFFFAOYSA-N 353.418 4.044 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc2c(c1)OCCCO2 17367441 BXEAJMKPSDHJBB-UHFFFAOYSA-N 372.471 4.214 0 40 FIAB Cn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)cn1 19290698 DSMHUVRHIWQJOG-LJQANCHMSA-N 354.429 4.332 0 40 FIAB CCOc1ccc([C@@H](C)N(C)C(=O)[C@@H](C)Cn2cnc3ccccc32)cc1 19532616 FCSJXIVRCFKQBY-DLBZAZTESA-N 365.477 4.291 0 40 FIAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1C(C)C 20033762 YGIXOIJZEPKCIR-UHFFFAOYSA-N 368.300 4.159 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 20455709 REECVXRLMLLRKA-UONOGXRCSA-N 374.868 4.274 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1Cl 20461388 JZGCBSAUZVENJU-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)ccc1C 20486300 OWTSYQSZNFGIMW-INIZCTEOSA-N 361.825 4.231 0 40 FIAB Cn1cccc1C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 23419674 MRPBPHZZOSKKAS-FOWTUZBSSA-N 369.417 4.192 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccccc2F)c2ccccn2)cc1C 27991591 YOYWZUSIPLOEBF-UHFFFAOYSA-N 364.420 4.450 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)C[C@@H]2C=CCC2)n1 32848545 VRDYAFQDFNFCLR-GFCCVEGCSA-N 359.426 4.202 0 40 FIAB O=C(Cc1cccc(F)c1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32962536 KLBCZBLOKNPPKE-UHFFFAOYSA-N 352.336 4.344 0 40 FIAB COc1cccc(NC(=S)N2CCC(n3cnc4ccccc43)CC2)c1 35291817 QUTHAKRLJZVCDF-UHFFFAOYSA-N 366.490 4.079 0 40 FIAB S=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)c(Cl)c1 35586140 MTJOUBKYWFQFAP-LLVKDONJSA-N 369.273 4.120 0 40 FIAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 36635907 DHCSKURXBVIOTL-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB Cc1nc2ccccc2n1CC1CCN(C(=O)c2c(F)cccc2F)CC1 38533895 IGVXMTQDWWGOTP-UHFFFAOYSA-N 369.415 4.175 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN([C@H](C)C(=O)Nc2nccs2)CC1 53743692 UCFKMAAXRKBFRD-CQSZACIVSA-N 368.506 4.139 0 40 FIAB Cc1cc(NC(=O)/C=C/c2ccccc2Br)n(C(C)(C)C)n1 57996394 IGHIVIKXXIAZNA-MDZDMXLPSA-N 362.271 4.361 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(N(C)C(C)C)c(F)c1 58367043 FHFOVOWFURCYGB-UHFFFAOYSA-N 367.424 4.281 0 40 FIAB CC[C@@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)OCCCO2 64986954 ALGYCKCDEMYFBE-SXAWMYDMSA-N 355.409 4.268 0 40 FIAB CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 69531704 PCSLKGDIYDNMGO-QGZVFWFLSA-N 363.461 4.210 0 40 FIAB CC[C@@H]1C[C@@H](C)CN1C(=O)/C=C/c1cc(Br)ccc1OC 72305542 DCOUPGZGMSDIRM-HZYUJGRASA-N 352.272 4.118 0 40 FIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccccc1Cl 72414396 STHOEAXOHHSDSZ-UHFFFAOYSA-N 367.898 4.125 0 40 FIAB O=C(NCC1(c2ccccc2Cl)CCOCC1)c1cccc2[nH]ccc12 80643658 UMIPEZMFUWYPCA-UHFFFAOYSA-N 368.864 4.300 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(C(F)(F)F)n2)c1 96013102 URGRMOYQHNZYNN-JTQLQIEISA-N 369.343 4.000 0 40 FIAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccsc1 96119689 DZCKNOWDHINBEP-UHFFFAOYSA-N 351.387 4.234 0 40 FIAB O=C(c1c[nH]c2ccccc12)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 96345861 RSUGQTAFNOQEIC-KRWDZBQOSA-N 362.429 4.399 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1 218933407 VKLPHOSMPFGAGK-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 219859209 OHOTXFMIQLWDSI-IBGZPJMESA-N 350.506 4.349 0 40 FIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224128325 CUGFZGNPVWHGCS-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB CCc1ccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224264918 UYFZKNCVVSTHGN-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 224536802 MBHYTRSNPIYQHZ-UHFFFAOYSA-N 366.505 4.310 0 40 FIAB Cc1ccccc1CSCCNC(=S)Nc1ccc(F)cc1F 225361315 AEYLDLDDPQIQKQ-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)s1 225810300 KZJUUFZPFGZQLR-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2Cc2cncs2)n1 257238717 HMFYEHDOJLQJPF-KRWDZBQOSA-N 366.494 4.107 0 40 FIAB Cc1cc(-c2nc(C)c[nH]2)nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 257288720 PVHNBEZMTCBAOU-KRWDZBQOSA-N 365.456 4.002 0 40 FIAB O=C(Sc1nnc(-c2ccccc2Cl)o1)c1ccc2c(c1)OCO2 408586158 LOUVEOBJLMVHRL-UHFFFAOYSA-N 360.778 4.051 0 40 FIAB O=C(NCCCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 408706659 BZGXPZMMRRCCPX-UHFFFAOYSA-N 365.260 4.071 0 40 FIAB CC1=CC(C)(C)N2C(=O)[C@](O)(CC(=O)c3cccs3)c3cc(C)cc1c32 1740816378 BPDIFKWDJGTJCH-NRFANRHFSA-N 367.470 4.059 0 40 FIAB CCc1ccc(N2C(=O)N(CC3CCC3)c3ccccc3S2(=O)=O)cc1 1889102683 MXXHYLZAFJVRSL-UHFFFAOYSA-N 370.474 4.184 0 40 FIAB CC(C)C(=O)Oc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 662790 RKWJMYJYTNUQAP-GZTJUZNOSA-N 369.804 4.246 0 40 FIAB CCc1cccc(CC)c1N(COC)C(=O)Cn1c(C)nc2ccccc21 857494 PBWDTCMYCWKMDA-UHFFFAOYSA-N 365.477 4.107 0 40 FIAB Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc(Cl)cc1 877975 HJRMQMYAGMGVGF-UHFFFAOYSA-N 365.886 4.104 0 40 FIAB Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@]12C(=O)Nc1ccccc12 1068878 UNIQWRNNGXHAFO-QHCPKHFHSA-N 369.424 4.181 0 40 FIAB CCOc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CC[C@H](C)C3)cc1 1081618 HYPZGDMYIZDOTH-LBPRGKRZSA-N 372.490 4.482 0 40 FIAB CCOC(=O)[C@H](C)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236787 DSOHJAJZRPVFOK-LBPRGKRZSA-N 372.804 4.444 0 40 FIAB biogenic CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc2c1CCC2 1937424 KUMMKBZHSLINBM-VAWYXSNFSA-N 355.459 4.374 0 40 FIAB CCCc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc(OC)cc1 2373028 RGUDSKATUNJHLS-UHFFFAOYSA-N 353.418 4.474 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccccc1F)CO2 2416103 LXFPLUBIQQUEIK-UHFFFAOYSA-N 351.377 4.086 0 40 FIAB CC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2418010 WPJAUPQUXQXUKX-AWEZNQCLSA-N 374.444 4.170 0 40 FIAB CN(Cc1ccccc1)C(=O)CSc1nnc(Nc2ccccc2)s1 2634185 YYIBIUGYKOKZMQ-UHFFFAOYSA-N 370.503 4.032 0 40 FIAB CCC(CC)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 2724695 GINZALMQICGJFH-HXUWFJFHSA-N 354.425 4.132 0 40 FIAB O=C(O)c1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1 2957866 URQNIKFTQMJDKH-UHFFFAOYSA-N 364.382 4.006 0 40 FIAB CN(CC(=O)NCCCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 3347998 ACHSTEUIMXYRMC-UHFFFAOYSA-N 365.304 4.174 0 40 FIAB Cc1ccsc1CNn1cnnc1SCc1ccc(Cl)cc1 3624253 RMGTWJLIOQSYNK-UHFFFAOYSA-N 350.900 4.337 0 40 FIAB Cc1ccc(NC(=O)C[C@@H](C)CC(=O)N2CCCCCC2)cc1Cl 4700203 FWJLSKVGGGDQAX-CQSZACIVSA-N 350.890 4.406 0 40 FIAB O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1CCCN(c2ncccn2)C1 4966162 NSCYFSAHCNNRRU-IBGZPJMESA-N 364.493 4.379 0 40 FIAB O=C(Nc1ccccc1)NC1(C(=O)Nc2cc(F)ccc2F)CCCCC1 4967927 ONGQRLMGDYAYHP-UHFFFAOYSA-N 373.403 4.428 0 40 FIAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219853 CLMSALKEVFSCJU-ZDUSSCGKSA-N 361.511 4.287 0 40 FIAB CC(=O)O[C@@]1(c2ccccc2)N=C(c2ccccc2)N=C1c1ccccc1 5664637 RABATJWOXWUBRF-HSZRJFAPSA-N 354.409 4.352 0 40 FIAB Cc1nc(SCC(=O)NC2CC2)c2cc(-c3ccccc3)sc2n1 6114460 JELLFVIRSTVXCI-UHFFFAOYSA-N 355.488 4.037 0 40 FIAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6478731 LACLORIZKJBMMQ-WOJGMQOQSA-N 367.426 4.157 0 40 FIAB CCOc1ccc2oc(C(=O)O[C@H](C)C(=O)NC3CCCCC3)c(C)c2c1 7205558 AKJGCQSIMZVKFN-CQSZACIVSA-N 373.449 4.134 0 40 FIAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCCCOC(C)C 7779655 GNMHMJUPHOKHBJ-UHFFFAOYSA-N 370.324 4.451 0 40 FIAB O=C(CCOc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 8086176 DQNNFMQRAYDOSY-UHFFFAOYSA-N 366.486 4.471 0 40 FIAB O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cc(Br)ccc1O 8642182 BIIVGWIQWGZLQS-KXUQTAPDSA-N 370.202 4.164 0 40 FIAB CC1=Nc2c([nH]c(=S)[nH]c2=O)N[C@H](c2ccc(Cl)c(Cl)c2)C1 8653253 OHILTMDINUGCEO-JTQLQIEISA-N 355.250 4.389 0 40 FIAB CC(=O)Nc1ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl 10944979 JWBJVEVUHSBKEV-LJQANCHMSA-N 371.868 4.074 0 40 FIAB O=C(c1ccccc1)N1CCc2[nH]c3c(Br)cccc3c2C1 12296990 QVEIWXGPXWKOJJ-UHFFFAOYSA-N 355.235 4.129 0 40 FIAB biogenic Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@@H]3Cc4ccccc4O3)n2c1 12520603 SSDHDQREKTZQAR-IBGZPJMESA-N 369.424 4.252 0 40 FIAB CC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1 12789701 PSWVFGKLZHGQIO-MRXNPFEDSA-N 353.462 4.344 0 40 FIAB Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c2ccccc2n1 12899930 VJTKGSBPTXATDE-HXUWFJFHSA-N 363.461 4.093 0 40 FIAB CC1=CN2C(c3ccc(Cl)cc3)=NON(c3ccc(C)cn3)[C@@H]2C=C1 13213514 VZIMMXPEHOGLBU-GOSISDBHSA-N 352.825 4.259 0 40 FIAB CCn1ncc2c(C(=O)Nc3cccc(OC)c3)cc(-c3ccccc3)nc21 14206346 ICODMTXHJFENMN-UHFFFAOYSA-N 372.428 4.379 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccccc2)c2ccccc2)cc1C 15329045 DSEDWHZKZZDNOM-NRFANRHFSA-N 351.471 4.371 0 40 FIAB COc1ccc(NC(=O)[C@@H](N[C@H](C)C2CC2)c2ccccc2)cc1Cl 15504404 IQGAIIHSUQCELO-YJYMSZOUSA-N 358.869 4.417 0 40 FIAB Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(F)cc2)CCS3)cc1 17051251 SHXUWLQKNVGXMV-UHFFFAOYSA-N 367.449 4.033 0 40 FIAB CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(C)cc1 17073230 WTWIBJVRNLUFTO-UHFFFAOYSA-N 353.491 4.498 0 40 FIAB CC(C)(CO)NCC(C)(C)N[C@H](Cc1ccccc1Cl)c1ccccc1 19365995 JHHSEALESJWYCK-HXUWFJFHSA-N 374.956 4.353 0 40 FIAB CN1CCCCC[C@@H]2N(C(=O)c3ccccn3)[C@H](c3ccccc3)C[C@@]21C 19713506 JMVBRKSOWNEGBD-FUDKSRODSA-N 363.505 4.302 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)c1 20050935 UFONSWLXPLTFLL-GOSISDBHSA-N 355.434 4.276 0 40 FIAB CC(C)C(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)O)c1 20158126 XRLAENIKGYXWOK-UHFFFAOYSA-N 370.430 4.021 0 40 FIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccccc1 21787531 HOGHQGIFGOEWPB-NRFANRHFSA-N 363.461 4.189 0 40 FIAB Cc1c(C(=O)N2CCCCCC2)cnn1-c1cccc(C(F)(F)F)c1 22990320 FYPJMXUPZZINBH-UHFFFAOYSA-N 351.372 4.216 0 40 FIAB COC(=O)c1ccoc1COC(=O)c1sc2cc(F)ccc2c1Cl 23447795 HUPBPCZAYIFTEH-UHFFFAOYSA-N 368.769 4.430 0 40 FIAB CC[C@H](C)Cc1c(C)sc2nc(SC[C@H]3CCCO3)[nH]c(=O)c12 25255524 GGJPEZVSAYASDL-CMPLNLGQSA-N 352.525 4.153 0 40 FIAB CC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1OC(F)F 27358946 SSOJBABLBBMVTB-INIZCTEOSA-N 362.376 4.128 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F 27493171 YFINRNNPFZQNMB-SJKOYZFVSA-N 362.832 4.262 0 40 FIAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Cl)cc1Cl 28188462 RXRVTVJFWZOLIA-UHFFFAOYSA-N 368.245 4.377 0 40 FIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)COc2ccc(C(C)C)cc2)c1 28290921 FWZGSOUSUGWZLS-SFHVURJKSA-N 355.478 4.389 0 40 FIAB Fc1ccc(Br)cc1-c1nnc2sc(C3CCC3)nn12 36352658 FGUHVMSHQGUAKP-UHFFFAOYSA-N 353.220 4.022 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc3ccccc3nc2Cl)C1 40434722 PVPPGFGNTNGHGO-GFCCVEGCSA-N 362.861 4.095 0 40 FIAB Cc1ccc(CN(CCc2ccccc2)C(=O)Nc2nncs2)s1 43129701 DQMOAFLRVXALGL-UHFFFAOYSA-N 358.492 4.185 0 40 FIAB CN(C)[C@@H](CNC(=O)CCc1ccc(Cl)cc1Cl)c1ccsc1 43750033 KWTAZIQORZRDGO-INIZCTEOSA-N 371.333 4.407 0 40 FIAB Cc1nn(C)c2c1[C@@H](c1cc(C(F)(F)F)ccc1F)SCC(O)=N2 49547822 OQXVTOODKLVLPN-CYBMUJFWSA-N 359.348 4.311 0 40 FIAB Cn1cc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c2ccccc21 71890705 IEUHOVBTFKKHHR-UHFFFAOYSA-N 357.373 4.309 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C=O)cn1 72215176 WKRDSQUDQOVTFE-DOTOQJQBSA-N 361.486 4.305 0 40 FIAB FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4ccncc4)C3)n2)c1 72369958 YEEURVYXFMZFAT-HNNXBMFYSA-N 374.366 4.140 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 73223721 LEFPCMMZXLVDQX-KPKJPENVSA-N 351.431 4.174 0 40 FIAB CSCc1cccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)c1 83851183 NDPMFVXVDXPXKJ-UHFFFAOYSA-N 361.486 4.072 0 40 FIAB O=C1C[C@@H](CNCc2cnc(-c3ccsc3)s2)c2ccccc2N1 84673773 SRZKAIUPKCJWHK-ZDUSSCGKSA-N 355.488 4.087 0 40 FIAB N#[N+]Nc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cn1 95479717 CYBPKOCKCNYVBD-UHFFFAOYSA-O 358.425 4.214 0 40 FIAB CO[C@@](C)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F 96123500 WNRYZHIJAVJYRM-KRWDZBQOSA-N 356.224 4.424 0 40 FIAB Fc1cccc(-c2ccc3c([C@@H]4CCCN4Cc4cccnc4)nnn3c2)c1 96156561 YOKQKSXBODYYBO-FQEVSTJZSA-N 373.435 4.268 0 40 FIAB COCCN1CCC2(CC1)C[C@@H](NCc1ccc(C)s1)c1ccccc12 96241444 NCSMWIOYNUCWSB-OAQYLSRUSA-N 370.562 4.271 0 40 FIAB COc1ccccc1/C=C/CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100763428 DEANCGHOCFBBKD-HZJMMZBYSA-N 367.464 4.362 0 40 FIAB CC(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118913473 XAPSNYLSUGRKQO-KVWWBZGASA-N 373.537 4.386 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN(C)c1ccccc1 219301220 HKYBNTVMBQYOMD-GOSISDBHSA-N 354.494 4.220 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222704109 QFWBLUGSFVOBGM-UHFFFAOYSA-N 374.481 4.226 0 40 FIAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 222836953 SLLUMFKRDRJYQO-UHFFFAOYSA-N 368.496 4.175 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2)cc1C 223406927 PKJAFXDAOHAVJY-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCCc1ccc(OCCNC(=O)COc2ccc(Cl)c(C)c2)cc1 224262009 NCPREWJUIHFGBD-UHFFFAOYSA-N 361.869 4.175 0 40 FIAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COCC(C)C 224446028 DQZNXAXPDGJTGG-UHFFFAOYSA-N 361.869 4.451 0 40 FIAB CCOc1ccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1 225047845 VQVJRTDNFQIZIX-UHFFFAOYSA-N 355.459 4.454 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1Cl 225609262 YCZYLRQHGHFDTP-UGSOOPFHSA-N 357.878 4.143 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)N[C@@H](C)CC 225721977 WHPXRPWVSYAPRP-LRDDRELGSA-N 373.324 4.425 0 40 FIAB c1ccc(CN[C@H]2CC[C@H]3S[C@@H]2CC[C@@H]3NCc2ccccc2)cc1 226074598 LLRPUFMACFGFPY-FNAHDJPLSA-N 352.547 4.361 0 40 FIAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(CC(C)C)CCO3)c2)c1 257224486 FBZORQSTFCOXKN-QFIPXVFZSA-N 354.494 4.019 0 40 FIAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 257313529 UTADVVGQSDLMRJ-WOIUINJBSA-N 357.542 4.187 0 40 FIAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(C)c3)n2C)cc1 409197122 WOFUMSJSBXYCNS-MRCUWXFGSA-N 352.459 4.120 0 40 FIAB CCCc1nc(-c2noc([C@H]3CCCN(Cc4cccc(F)c4)C3)n2)co1 515017263 CJXZLLRHHIOAOP-HNNXBMFYSA-N 370.428 4.196 0 40 FIAB CC(C)Oc1cccc(Cc2nc([C@H]3CCOc4ccccc43)no2)c1 545686461 YWNIINSQMHEAME-SFHVURJKSA-N 350.418 4.362 0 40 FIAB C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c2ccccc2C(=O)N1 558369539 ALDMCMABYWVRQR-GQWLDOHISA-N 370.452 4.108 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1nc2ccccc2s1 585148283 WBZXONIJMGPDBV-MRXNPFEDSA-N 364.426 4.020 0 40 FIAB CC(C)(C(=O)N1CC[C@H]2OCCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 1333757600 SHUHQNFJWKZLRC-BLLLJJGKSA-N 356.293 4.299 0 40 FIAB CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1ccc(Cl)cc1 1775964921 LLAAHEJXXSYASV-UHFFFAOYSA-N 358.777 4.299 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)Nc1cccs1 1775966966 XMJRAEXIKARFDI-NSHDSACASA-N 350.490 4.393 0 40 FIAB O=C1CCCC(=O)C12Cc1ccccc1N1CC[C@@H](Cc3ccccc3)C[C@@H]12 16957116 SKQROZXXHGGJHD-SIKLNZKXSA-N 373.496 4.379 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCCc2nc3ccccc3s2)c(C)c1 10750814 GWAAUKXZBHSRDS-UHFFFAOYSA-N 374.531 4.133 0 40 FIAB CCOc1ccc2cc3c(N)c(C(=O)N4CCC(C)CC4)sc3nc2c1 891624 SDBUPGQWFJBLPY-UHFFFAOYSA-N 369.490 4.303 0 40 FIAB O=C(Nc1ccccc1F)c1cc2cc(Cl)cc(Cl)c2oc1=O 4825142 UFBRONVBEIMXAO-UHFFFAOYSA-N 352.148 4.491 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4ccncc4)c(C)c3cc12 40312744 HHAJNPNYZRVKSQ-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB biogenic COc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1OC 11071743 CAWCIXHIELSNDL-UHFFFAOYSA-N 362.429 4.115 0 40 FIAB Brc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 4598303 SNUMHBBJYVDOPJ-UHFFFAOYSA-N 371.263 4.066 0 40 FIAB O=C(COc1cccc2cccnc12)Nc1ccc(Br)cc1 6127895 VJQLVNILOZWTHP-UHFFFAOYSA-N 357.207 4.015 0 40 FIAB CCc1noc(-c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)n1 96346755 SDNMZLSCIGWHMA-UHFFFAOYSA-N 351.406 4.339 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)c2cc(C)n(C(C)C)c2C)cc1 7828811 JQDZWZVQXPQXNB-UHFFFAOYSA-N 355.526 4.458 0 40 FIAB CC(C)C[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 101459287 JJPVXVQEVKCGAB-QGZVFWFLSA-N 350.397 4.082 0 40 FIAB CC(C)N(Cc1ccccc1)C(=O)CSc1nc(-c2cccs2)n[nH]1 5859882 VXIOINUWXASUSG-UHFFFAOYSA-N 372.519 4.063 0 40 FIAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cccc(Cl)c1Cl 2622976 WIZYTFPCFCRUAD-SECBINFHSA-N 367.261 4.155 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886132 WWTISTYLYKLRON-NRFANRHFSA-N 358.445 4.218 0 40 FIAB O=C(c1cc(Br)cc(Br)c1)N1CCCCCC1 677386 JUZYPZJSFMXTBR-UHFFFAOYSA-N 361.077 4.228 0 40 FIAB O=S1(=O)N=C(Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc21 646303 XAVHKNWASDOBJP-UHFFFAOYSA-N 361.637 4.208 0 40 FIAB CCOCCCNC(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O 24544561 SYXNCKHFOJFKCM-QGZVFWFLSA-N 361.869 4.110 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1OC 20045943 SNAOCJPFXXXZFO-OLZOCXBDSA-N 363.841 4.002 0 40 FIAB O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccc(F)cc1 2947450 WXJZCKIIORSEET-HNNXBMFYSA-N 352.228 4.367 0 40 FIAB C[C@H](OCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118924132 GWSFFLCKRBMFRS-LUSYZINYSA-N 362.554 4.324 0 40 FIAB Cc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 20411727 OFHIEYJQKJQADO-UHFFFAOYSA-N 354.431 4.422 0 40 FIAB CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2ccccc2Cl)c(C)c1 47541671 KHYYGBNELSJTFP-CYBMUJFWSA-N 359.857 4.233 0 40 FIAB CSCC[C@H](NC(=O)CCc1ccccc1)c1nc2ccccc2[nH]1 12538927 ZMQQURVWPAIVJV-SFHVURJKSA-N 353.491 4.106 0 40 FIAB Cc1cc(/N=c2/cccc(N3CCCCC3)[nH]2)n(-c2ccc(Cl)cc2)n1 3289806 HKWOLAYEOFTGQQ-UHFFFAOYSA-N 367.884 4.385 0 40 FIAB O=c1c2ccccc2cnn1CN1CCc2sccc2[C@@H]1c1ccccc1 27531854 JHKMDSWKQAFUOL-NRFANRHFSA-N 373.481 4.063 0 40 FIAB COc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10279763 CDPMTICHIBYILH-UHFFFAOYSA-N 352.434 4.010 0 40 FIAB COc1ccc(-c2n[nH]c(S[C@@H](C)c3nc(C(C)(C)C)no3)n2)cc1 48325773 AQKYNQLLTDEGAY-JTQLQIEISA-N 359.455 4.014 0 40 FIAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 3487607 HKVHTTLAGHFDFH-UHFFFAOYSA-N 373.865 4.161 0 40 FIAB CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408707957 MVPMEHCUKPMIIX-KRWDZBQOSA-N 370.880 4.133 0 40 FIAB C[C@@H](NCc1ccco1)c1cccc(NC(=O)Cc2ccccc2F)c1 48714450 ZZNOESNHWHKWGL-OAHLLOKOSA-N 352.409 4.451 0 40 FIAB C[C@H](NCc1ccc(Oc2cc(F)cc(F)c2)cc1)c1nnc2n1CCC2 67439750 QXEGGQIYVTVMMO-ZDUSSCGKSA-N 370.403 4.146 0 40 FIAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 8280801 MZEPYVWBLHJOJQ-AWEZNQCLSA-N 362.458 4.037 0 40 FIAB Cc1c([C@H](C)OC(=O)Nc2cccc(C(F)(F)F)c2)sc2ncnn12 4060318 HCVARLLAFMEMRM-VIFPVBQESA-N 370.356 4.428 0 40 FIAB Cc1c(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)oc2c1C(=O)CCC2 49640272 DXOXKGXFMJYULK-OAQYLSRUSA-N 374.440 4.154 0 40 FIAB O=C1Nc2ccccc2S[C@H]1CC(=O)N(Cc1ccco1)C1CCCC1 67676444 OLKHGQOKGNFIAA-SFHVURJKSA-N 370.474 4.054 0 40 FIAB Cc1cccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)c1 5070759 GTKFHBHDLOTLCZ-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1ccc(-c2ccnc(SCC(=O)NCc3ccccc3)n2)cc1C 15829395 CDHGDZHSLQEBHO-UHFFFAOYSA-N 363.486 4.169 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1F 6316568 PKVCPWOMQHYPAC-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2C1=O 6340464 DRWFKADXVLIRPX-UHFFFAOYSA-N 374.371 4.187 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1ccc(Cl)s1 14094447 IKORQBNTFGEOQB-CSKARUKUSA-N 362.882 4.129 0 40 FIAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1 5303042 HYENPKGGZHFWLB-UHFFFAOYSA-N 369.852 4.249 0 40 FIAB O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCCN2CCC[C@@H]2C1 65565258 VXJZMYYHXCDGFC-OAHLLOKOSA-N 355.309 4.013 0 40 FIAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 4554887 WTZTUAZFGJCJAT-DEOSSOPVSA-N 373.452 4.447 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@@H](C)c1ccc(F)cc1 9502667 BMNAODSPSODLIE-STQMWFEESA-N 371.437 4.234 0 40 FIAB CCCCOc1ccc(Br)cc1C(=O)Nc1nccs1 8723063 WREHBTHSGLJQNO-UHFFFAOYSA-N 355.257 4.337 0 40 FIAB Cc1cc(C)c2c(=O)nc(SCc3ccccc3C)n(C3CC3)c2n1 8831381 GWOPLPKFHREWAN-UHFFFAOYSA-N 351.475 4.344 0 40 FIAB Cc1nc(NC(=O)Cc2c(Cl)cccc2Cl)nc2c1CCCC2 9753370 KIBKVMWFWRTFFA-UHFFFAOYSA-N 350.249 4.152 0 40 FIAB COc1ccc(-c2nc(CC(=O)NCC3CCCCC3)cs2)cc1OC 9721228 PMEMLQXEFQYJSS-UHFFFAOYSA-N 374.506 4.066 0 40 FIAB CCc1oc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C 97102758 KEVFKFRQPGEKDF-RHSMWYFYSA-N 368.260 4.188 0 40 FIAB Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)CC(C)C)cn3)ccc12 72325331 PQGXRPSCNSTWPB-UHFFFAOYSA-N 352.390 4.273 0 40 FIAB biogenic COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccccc1 22075164 JYDRBZVXKGZYLB-NRFANRHFSA-N 363.457 4.097 0 40 FIAB C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCSc1ccccc1F 95423960 HKQPIIVPJWBILD-SUMWQHHRSA-N 365.445 4.075 0 40 FIAB CC(C)NC(=O)Nc1ccc(CNC(=O)c2csc3c2CCCC3)cc1 32925197 KFJRAQSNOATQQR-UHFFFAOYSA-N 371.506 4.087 0 40 FIAB O=C(CCc1nc(-c2ccccc2Cl)no1)NCCC1=CCCCC1 75359561 FQIHFIFZKAUPJL-UHFFFAOYSA-N 359.857 4.329 0 40 FIAB Cc1ccc(CCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219861500 XZQNONLVDQWERE-UHFFFAOYSA-N 350.506 4.269 0 40 FIAB CC[C@@H](NC(=O)CSc1ccc(OC)c(OC)c1)c1ccc(C)cc1 216235440 DOOSGJOFGWTYAZ-QGZVFWFLSA-N 359.491 4.372 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(OC)cc1 38756728 DQPQDTTUXLWHQP-LJQANCHMSA-N 361.869 4.255 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30864128 SVOMGQNVWBSVPE-CRAIPNDOSA-N 357.450 4.047 0 40 FIAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCc1cccc(OC)c1 32642890 VZDBEHQAZRNFJA-UHFFFAOYSA-N 365.433 4.044 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2CCc2ccccc2)n1 72354641 AOEYGTLGFRMLTP-FQEVSTJZSA-N 362.452 4.245 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 44934098 QOEGIPJGEUPJSC-CRAIPNDOSA-N 358.432 4.054 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cs1 226097628 LJZNFPDTVPAATR-UHFFFAOYSA-N 357.410 4.252 0 40 FIAB Cc1cc(OCC(=O)NC[C@@H](C)c2ccccc2)ccc1Br 224241836 NDXFTUYIQGGJPI-CQSZACIVSA-N 362.267 4.056 0 40 FIAB Cc1c(C2CCCCC2)noc1NS(=O)(=O)c1cccc2cnccc12 329732888 QNGDXKSANAWIHE-UHFFFAOYSA-N 371.462 4.380 0 40 FIAB C[C@@H](CNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 224534566 IGRMTHZWGRZUFZ-KRWDZBQOSA-N 370.924 4.472 0 40 FIAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224721068 VBRSBIMECWKUHO-UHFFFAOYSA-N 353.871 4.342 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(C)c(C)c2)c1 225176729 KCNUFHAZXXFTDS-UHFFFAOYSA-N 355.478 4.309 0 40 FIAB CC[C@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(OC)c(OC)c1 225326058 LWYKULOHCGVWHJ-SFHVURJKSA-N 371.477 4.221 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cccc(C)c2C)c1 44947221 DGIBHYKSYKJPTR-SFHVURJKSA-N 357.519 4.429 0 40 FIAB Cc1ccc(CN2CCO[C@@]3(CCCN(c4cccc(F)c4)C3)C2)s1 96049078 PSHPBRNVAHWAKD-FQEVSTJZSA-N 360.498 4.067 0 40 FIAB COc1ccc([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257305564 SQOICUGUQIAJOU-ZHXYCXGVSA-N 359.510 4.492 0 40 FIAB CC(C)OC(=O)CSC[C@@](O)(COc1ccc(Cl)cc1)C(C)(C)C 255190081 UWRTUBQBJQRIHM-SFHVURJKSA-N 374.930 4.181 0 40 FIAB C[C@H]1CCc2nc(CNc3ccc(C(=O)N(C)C)c(Cl)c3)sc2C1 585081105 RJKIRFVCTYXBMG-NSHDSACASA-N 363.914 4.235 0 40 FIAB C[C@H](C(=O)Nc1ncc(-c2ccccc2)cn1)[C@@H]1OCCc2sccc21 660650281 DXGJYWGMYUTNJR-UGSOOPFHSA-N 365.458 4.094 0 40 FIAB C[C@H](NC(=O)N1C[C@H](C)[C@@](C)(CO)C1)c1ccc(-c2ccc(F)cc2)cc1 664568131 GRSOTBSBUZLILL-PONJGIIJSA-N 370.468 4.214 0 40 FIAB Cc1nc(NC(=O)COCc2ccccc2)sc1Cc1ccccc1 612662766 KGMBKFDYDSMAJX-UHFFFAOYSA-N 352.459 4.198 0 40 FIAB CCNC(=O)N(C)c1cccc(NC(=O)c2cscc2C(F)(F)F)c1 621986977 GBUKFZYWHSYIGC-UHFFFAOYSA-N 371.384 4.185 0 40 FIAB Cc1sc(CN[C@@H]2CC[C@@H]3CNC[C@H]3C2)nc1-c1ccc(Cl)cc1 647791774 MTYXGNILSZQHOV-BFYDXBDKSA-N 361.942 4.250 0 40 FIAB Cc1cc(-c2nc(C)c[nH]2)nc(C2CCN(Cc3ccccc3F)CC2)n1 585182486 USVXCALQIBCDCA-UHFFFAOYSA-N 365.456 4.002 0 40 FIAB CC(C)CCN1CCC[C@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 585100604 PJIDYGFFQPGGOZ-NRFANRHFSA-N 361.530 4.305 0 40 FIAB Cc1ccc(F)c(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c1 75109950 FBMIBTXNBJWPTM-UHFFFAOYSA-N 351.296 4.093 0 40 FIAB CSc1ccccc1NC(=O)c1cccc(I)c1 5443579 WZLXLVUOXOJZQH-UHFFFAOYSA-N 369.227 4.265 0 40 FIAB Cc1cc(-c2cnc(NCCc3ccncc3)nc2-c2cccs2)on1 12088763 MOXUZLJSPWMCNR-UHFFFAOYSA-N 363.446 4.218 0 40 FIAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cc1 12188076 HXAKEWPOXKWBCR-FQEVSTJZSA-N 359.473 4.321 0 40 FIAB CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 12503212 QTTRZHGPGKRAFB-RWALOCTRSA-N 370.533 4.497 0 40 FIAB Clc1ccc(OCc2nnc(SCCOc3ccccc3)o2)cc1 15670045 DWDCYNGLPGPUIL-UHFFFAOYSA-N 362.838 4.473 0 40 FIAB C[C@@H](OC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCCc2ccccc21 16131691 IDWNSNXAPRPJQW-QGZVFWFLSA-N 374.440 4.002 0 40 FIAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cc2ccccc2o1 17074533 RRLUUBAOFZVPMG-UHFFFAOYSA-N 362.410 4.418 0 40 FIAB COc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19120913 QGIYAUPETIMALH-GOSISDBHSA-N 352.438 4.109 0 40 FIAB CC(=O)N1CCc2cc(-c3nc(NC(=O)CC(C)C)sc3C)ccc21 35313287 ZBCTXWKOWZERDC-UHFFFAOYSA-N 357.479 4.012 0 40 FIAB O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(C(F)(F)F)cc1 5567341 NLZNMEGHVKVAGN-UHFFFAOYSA-N 360.694 4.460 0 40 FIAB Clc1cnccc1OCC1CCN(c2nc3cnccc3s2)CC1 1889149308 MEQCEQFRXJVQDP-UHFFFAOYSA-N 360.870 4.035 0 40 FIAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(F)cc1F 2467176 XWPCKRFIQWCZPZ-UHFFFAOYSA-N 371.368 4.385 0 40 FIAB CCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1 13702698 YQUQDFWLRHKKTE-UHFFFAOYSA-N 353.809 4.040 0 40 FIAB O=C(C1CCCCC1)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294284 JFDYDSUJXDOWLU-HBMCJLEFSA-N 358.501 4.233 0 40 FIAB Cc1cc(C)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 7053373 KHWNUOBXIALDGP-UHFFFAOYSA-N 359.369 4.311 0 40 FIAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)nc1 40073966 AAFZMFXKVCTIMO-MRXNPFEDSA-N 361.445 4.221 0 40 FIAB CC(=O)c1cn(CCC(=O)Nc2cc(F)c(F)c(F)c2)c2ccccc12 40286798 BREJPRPVMRQDQT-UHFFFAOYSA-N 360.335 4.290 0 40 FIAB CN(C)C(=O)[C@H](Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 10845745 VYYVNHMUQMOAIC-QGZVFWFLSA-N 356.422 4.402 0 40 FIAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 20578898 ZJTHCKMRIJWQME-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB CCOc1ccccc1OCCC(=O)Nc1ccc2nc(C)sc2c1 6790396 PDLFOHBQHXEVNP-UHFFFAOYSA-N 356.447 4.411 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cccc2ccccc12 6840000 QPXFJPZZVVNDGU-UHFFFAOYSA-N 353.805 4.218 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1 7794155 XLUXBSNATHMHHC-UHFFFAOYSA-N 368.355 4.041 0 40 FIAB O=C(Oc1ccc(OCc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 7969635 BRWNELPYOWJOJO-NRFANRHFSA-N 362.381 4.011 0 40 FIAB CC(C)N(C(=O)[C@@H](C)Sc1nc(NC2CC2)c2ccccc2n1)C(C)C 32841196 UXAZWQSADDXCFA-CQSZACIVSA-N 372.538 4.330 0 40 FIAB Cc1ccc(-c2nc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cs2)cc1 29330891 XEOOWWXNBFCPSO-UHFFFAOYSA-N 362.458 4.267 0 40 FIAB C[C@@H](OC(=O)c1cccs1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 9415661 SSAWXOUBMNBACT-SECBINFHSA-N 372.427 4.224 0 40 FIAB COc1cc(CCC(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC 2620318 LFBUBYHNTZVFSB-UHFFFAOYSA-N 363.841 4.246 0 40 FIAB Cc1cc2occ(CC(=O)Nc3sccc3C(N)=O)c2cc1C(C)C 2661735 OXAAZPDMFFOWAP-UHFFFAOYSA-N 356.447 4.206 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2c(C)noc2C)c2ccccc2)cc1 22135149 LIQUVXZXNKSQIL-UHFFFAOYSA-N 350.418 4.212 0 40 FIAB COc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC(F)F 22766161 RWBDCESDDRFVOL-VIFPVBQESA-N 372.318 4.014 0 40 FIAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100621785 GYMULKBMDCZDSX-SXSPYAJSSA-N 360.501 4.300 0 40 FIAB COc1cc(Cl)c(NC(=O)CSc2ccc(F)c(F)c2)cc1OC 23054240 ACZYFGFKGTWBAQ-UHFFFAOYSA-N 373.808 4.366 0 40 FIAB COc1cc(Cl)c(NC(=O)c2ccc(-c3cnco3)cc2)cc1OC 47416442 MGKWPCCVLGUIHX-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c4c(cccc24)CC3)N1 3024742 JTOZFSYHVYFHID-UNMCSNQZSA-N 368.436 4.108 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2Cl)c1 26379387 SXTTXMAIPVYGIF-STQMWFEESA-N 359.857 4.420 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nnc(C)n1-c1ccccc1)C1CCCCC1 12558188 GWWXGJWHIIOCII-HNNXBMFYSA-N 372.538 4.238 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2OC[C@H]2CCCO2)c1 10156052 BRDBQQQWVMSBJB-QZTJIDSGSA-N 369.461 4.267 0 40 FIAB C[C@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCCC1 3206343 XIAOEYNSXORRSX-SUMWQHHRSA-N 363.527 4.399 0 40 FIAB CC1(C)Cc2c(sc3nc(SCCc4ccccc4)nc(N)c23)CO1 2222785 DWWKDBCVWPSJDZ-UHFFFAOYSA-N 371.531 4.460 0 40 FIAB Cc1ccc(CNc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 3351138 AUKOEVZNCATTJA-UHFFFAOYSA-N 351.431 4.062 0 40 FIAB COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 12995307 PGEUKCQRVAOFPY-UHFFFAOYSA-N 358.488 4.161 0 40 FIAB O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(C2CCCCC2)cc1 63827388 NLYRQKYYNCOXFN-MRXNPFEDSA-N 353.466 4.220 0 40 FIAB CCn1c(-c2ccco2)nn(CN(C)Cc2cccc(Cl)c2)c1=S 5067744 UKSNRBJNBWUTOB-UHFFFAOYSA-N 362.886 4.437 0 40 FIAB O=C(/C=C/c1c(Cl)cccc1Cl)NCc1ccc2c(c1)OCO2 6328824 AUHOWWMZGNLVIK-FNORWQNLSA-N 350.201 4.052 0 40 FIAB Cc1ccc([C@H]2NC(=O)C(Nc3ccccc3)=C2C(=O)c2ccccc2)cc1 4498757 LZTQVBWFSJXPHN-OAQYLSRUSA-N 368.436 4.415 0 40 FIAB O=C(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccco1 6498761 RXEYLSNMLBMAMY-UHFFFAOYSA-N 372.178 4.431 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)cc1 6509387 JLCBHTHBVGBRTQ-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB CCCCc1ccc(NC(=O)Cn2c([C@@H](C)O)nc3ccccc32)cc1 8638591 MWMDUVBJEPVDCL-OAHLLOKOSA-N 351.450 4.071 0 40 FIAB COC(=O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 22076826 HVUSISRRSDALNM-UHFFFAOYSA-N 353.393 4.205 0 40 FIAB Clc1cc(CSc2nncn2-c2ccccc2)cc2c1OCCCO2 6974897 JILFUYZSHJRPCL-UHFFFAOYSA-N 373.865 4.374 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)C3CCC(C)CC3)o2)c1 7160459 PMNXXLFCILSYKV-UHFFFAOYSA-N 373.522 4.483 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)N(C)Cc1ccccc1N1CCCCC1 9470922 VSAWXHREVAEKGO-SFHVURJKSA-N 369.509 4.433 0 40 FIAB COCc1nc(C)cc(N2CCC(c3c(C)[nH]c4ccccc34)CC2)n1 75047104 YSRVZIDVFZKRGS-UHFFFAOYSA-N 350.466 4.105 0 40 FIAB CN(c1ccccc1)c1ccccc1NC(=O)Cc1cn2ccccc2n1 83869654 OIWDKZJRCVLFPK-UHFFFAOYSA-N 356.429 4.283 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)N[C@H](c2ccccc2)C2CC2)c1C 9875467 WODUGCQUEGAPMG-OAQYLSRUSA-N 365.477 4.035 0 40 FIAB CC(C)Oc1ccc(C2=N/C(=C/C3=Cc4ccccc4OC3)C(=O)O2)cc1 96935655 VVZAPOAAZRVQLK-XDHOZWIPSA-N 361.397 4.137 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1F 87393977 NFSUPCUZYYWNMJ-UHFFFAOYSA-N 360.772 4.297 0 40 FIAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCCCCC1 84370715 TZWKDLPSMMXWGM-QSVDNLTKSA-N 374.569 4.136 0 40 FIAB C/C(=C\C(=O)Nc1nnc(C2CC2)s1)c1ccc(C(F)(F)F)cc1 98052653 VCIBLTXSDJIGQN-CMDGGOBGSA-N 353.369 4.476 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 408624854 CPUAMJPOUAAAEO-ZDUSSCGKSA-N 370.474 4.098 0 40 FIAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCCc2cc(F)c(F)cc21 502824916 DRMCSEGKQOVIDP-QGZVFWFLSA-N 357.400 4.452 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1C 219544343 QJGFJXUZFXBOII-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72349077 DHZXRIYTMUVTER-HXUWFJFHSA-N 357.457 4.472 0 40 FIAB CCC[C@@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1 32795288 YNMKXVNVWYAOIQ-QGZVFWFLSA-N 350.466 4.336 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1 216330853 UGTZKLCGMLBJMD-UHFFFAOYSA-N 371.893 4.243 0 40 FIAB CCc1ccc(CNC(=O)Cc2nnc(Nc3ccccc3C)s2)cc1 62007182 GPPCIVKVKIOYFD-UHFFFAOYSA-N 366.490 4.011 0 40 FIAB CCCSc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 40989984 KHFZGSFHGHXQPP-UHFFFAOYSA-N 351.497 4.146 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225821510 JGPGWABKBYGBNV-VBKZILBWSA-N 365.470 4.184 0 40 FIAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cccc(F)c1 224957010 VKQFZQZTWITRTO-UHFFFAOYSA-N 353.368 4.474 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 222867175 VXXRNNSYSQRGBI-OALUTQOASA-N 369.461 4.271 0 40 FIAB CN(Cc1ccccc1)C(=O)CCn1ccc2c(Br)cccc21 40287136 HGQONNMMOZKFDE-UHFFFAOYSA-N 371.278 4.453 0 40 FIAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CC 223421467 JHDXMSMAHHUQFK-LBPRGKRZSA-N 359.297 4.037 0 40 FIAB Cc1ccc(C(=O)Nc2c(C)cccc2C)c(I)c1 225009417 IXIAOOBDOUMIKN-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB COc1cccc(OC)c1CCC(=O)Nc1ccc(Br)cc1 225995103 RYMCUZKBRPZSHP-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223544897 HMVFTDFZTYTORR-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 224219379 COLDBPQGJRDABN-QGZVFWFLSA-N 367.898 4.228 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSC1CCCC1 223887097 OXLPAHUYARNPMZ-LBPRGKRZSA-N 372.328 4.008 0 40 FIAB CCCNC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037762 NXVKDJSXGADDJX-UHFFFAOYSA-N 360.461 4.162 0 40 FIAB Fc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3ccccn3)C2)o1 257207107 BGJLUTUGNZSTSR-QGZVFWFLSA-N 351.425 4.179 0 40 FIAB C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1csc(N(C)c2ccccc2)n1 626727002 OLVXLYGRMYZLOH-AAEUAGOBSA-N 369.412 4.324 0 40 FIAB COc1ccc(C(=O)Sc2nc(C)cc(-c3ccc(OC)cc3)n2)cc1 5537552 CGZBOEJPZMOSIY-UHFFFAOYSA-N 366.442 4.402 0 40 FIAB CCOc1ccc(C(=O)NCC2CCN(CC3CCCCC3)CC2)cc1 5001942 BISSFFRWVWPNNY-UHFFFAOYSA-N 358.526 4.107 0 40 FIAB O=C(Nc1cccc(F)c1)[C@H]1CCC[C@H](C(=O)Nc2cccc(F)c2)C1 5944327 RIRNTNCTSCKVLB-KBPBESRZSA-N 358.388 4.348 0 40 FIAB O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(Cl)cc1 14553306 AXAHMRKXEXVMFT-UHFFFAOYSA-N 369.671 4.229 0 40 FIAB O=C(c1ccc(Cl)cc1)c1ccc(CN2CCCC[C@H]2C(=O)O)s1 15590287 QSPKNFZKALNKIT-HNNXBMFYSA-N 363.866 4.072 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 16608945 MVTUQUDYXZAYQX-OBMJPTGESA-N 356.510 4.304 0 40 FIAB Cc1cnc2cc(C3CCN(C(=O)c4csc(C(C)C)c4)CC3)[nH]c2n1 19239371 BZQDNNLSNOJDHW-UHFFFAOYSA-N 368.506 4.471 0 40 FIAB O=C(O)/C=C/c1cc(Br)ccc1OCc1cccc(F)c1 2140889 JVHLPQYMIURJIF-QPJJXVBHSA-N 351.171 4.265 0 40 FIAB CC(C)OC(=O)N[C@@H](OCCc1ccccc1)C(Cl)(Cl)Cl 2689742 WQRPIIIGHKKWTR-LBPRGKRZSA-N 354.661 4.077 0 40 FIAB C[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 5014839 DOQPSLKXZNSSBL-YMNYDYPGSA-N 370.452 4.335 0 40 FIAB Cc1cc(NC(=O)c2ccccc2Cl)ncc1NC(=O)c1ccco1 1352848 AGGIZIGRXOADDO-UHFFFAOYSA-N 355.781 4.141 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 5099476 JOXCFLQIXNGFNP-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 5269826 DOESEAWVGRZZCO-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2NCc2ccncc2)n1 15081979 QXVJJINGFBATIB-UHFFFAOYSA-N 364.840 4.093 0 40 FIAB Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c1 15883239 AIBCJKLQOJNVTO-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2ccsc2)c(C)n1 40110544 XAPUMUKUVXFHNT-INIZCTEOSA-N 361.536 4.173 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1C 788075 BIDCOMGVSKFVBA-IBGZPJMESA-N 352.434 4.043 0 40 FIAB CCCn1c(NCc2cc(OC)c(OC)c(OC)c2)nc2ccccc21 809659 FBSCNVBKKSUCDW-UHFFFAOYSA-N 355.438 4.084 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 827298 LBGMVALJQKCGEG-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB O=C(Cc1ccc(Br)cc1)OCC(=O)c1cccc(Cl)c1 3299902 POENTGFAJLVRCF-UHFFFAOYSA-N 367.626 4.071 0 40 FIAB CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 3537405 NHFWIHXETPKLMN-LDADJPATSA-N 368.458 4.201 0 40 FIAB CCc1ccccc1NC(=O)NC(=O)c1c(C)cc(Cl)nc1Cl 4581403 XDGIKYRGJPCGES-UHFFFAOYSA-N 352.221 4.221 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2cccc(F)c2)c1=O 5268813 KIFKOBRPHAOZIE-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(Br)c1 5770135 ACHGIRSIIUQVHB-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)c(OC)c1 5863789 IGCRWYNCZOQLOC-UHFFFAOYSA-N 370.430 4.037 0 40 FIAB CN(C[C@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21 5937562 KQIRASASHDWWIA-PZJWPPBQSA-N 359.897 4.227 0 40 FIAB CCOc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1 6249867 OGKSEVFQCRKJDD-UHFFFAOYSA-N 353.466 4.126 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1OCC 6811480 OAAGWQPTMMCQCB-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB O=C(Nc1c(O)c2ccccc2oc1=O)c1ccc(Cl)c(Cl)c1 6822934 PWAPEMBTRLCXMU-UHFFFAOYSA-N 350.157 4.058 0 40 FIAB Cc1ccc(S(=O)(=O)Cc2c(-c3ccccc3)nn(C)c2Cl)cc1 6923401 JUSOLBJXVNKQGW-UHFFFAOYSA-N 360.866 4.023 0 40 FIAB O=C(Nc1cc(Cl)ccc1C(=O)NCc1ccco1)c1ccc(F)cc1 7245583 JFNDVWJPYVCZLR-UHFFFAOYSA-N 372.783 4.254 0 40 FIAB COc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 8915181 OPLZDCFNUTZAQQ-UHFFFAOYSA-N 351.406 4.295 0 40 FIAB C[C@@]1(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1(Cl)Cl 9365572 LUTHPJGBZAXZCT-INIZCTEOSA-N 353.249 4.118 0 40 FIAB CC(C)c1ccccc1NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 11621753 CJCUPSWUVMEVAU-UHFFFAOYSA-N 369.856 4.095 0 40 FIAB CCCCOc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1 11914166 YFIVFVWELDROGU-UHFFFAOYSA-N 351.406 4.476 0 40 FIAB COc1ccc(NC(=O)C2=C(c3ccccc3)SCCO2)cc1Cl 12389772 RWGYVSJWFLTWFA-UHFFFAOYSA-N 361.850 4.419 0 40 FIAB Fc1ccc(CNc2nnc(SCc3nccn3C(F)F)s2)cc1 12538902 FINHDPOAQBWIAS-UHFFFAOYSA-N 371.413 4.173 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(F)cc3)no2)cc1 12755489 AKRPZBFXYMBAPS-SFHVURJKSA-N 353.397 4.221 0 40 FIAB CC(C)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccc2c(c1)OCCO2 12794171 XTRQIOGSZGGCMJ-HXUWFJFHSA-N 368.408 4.205 0 40 FIAB Cc1cnc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)s1 12794975 XGJJAJRMVMLNGT-KRWDZBQOSA-N 364.426 4.158 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1O 12816586 WGUSJVYCKDBTDQ-UHFFFAOYSA-N 362.433 4.020 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3F)c12 12998835 PRMRICOXBFQIOF-UHFFFAOYSA-N 358.804 4.199 0 40 FIAB c1csc(-c2nnc(SC[C@H]3COc4ccccc4O3)n2C2CC2)c1 14241010 SUTJOGPMGIURDI-CYBMUJFWSA-N 371.487 4.274 0 40 FIAB C[C@@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccccc2)n1 15832346 XBEFDKRXPCIFJB-CYBMUJFWSA-N 356.422 4.033 0 40 FIAB c1ccc(SCCN2CCN(CCSc3ccccc3)CC2)cc1 20437141 IDYJSFNJBOVJTN-UHFFFAOYSA-N 358.576 4.189 0 40 FIAB CC(C)C(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 21596357 XVGVRAZNQJBIDC-UHFFFAOYSA-N 355.488 4.432 0 40 FIAB CCn1nc(NC(=O)COc2cccc(C)c2)c2cc3cc(C)ccc3nc21 21596578 RMQTYJLDIBUQTN-UHFFFAOYSA-N 374.444 4.239 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 24962332 QKICBBKWPOANFK-SJORKVTESA-N 370.518 4.095 0 40 FIAB CCCCc1c(C)nc(SCCOc2ccccc2Cl)[nH]c1=O 27579064 UKUYEEHQNRCMMD-UHFFFAOYSA-N 352.887 4.245 0 40 FIAB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 27581761 WXTBONVWSNSMJM-NRFANRHFSA-N 366.505 4.351 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSc1ccc(C)cc1 28189528 ICTSMIBLYPUOTK-UHFFFAOYSA-N 373.503 4.247 0 40 FIAB CC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 28405960 JLKWNQRJOLFZOB-UHFFFAOYSA-N 363.808 4.415 0 40 FIAB CC(C)C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 29106978 QWJJIBFYNZYVGZ-OAQYLSRUSA-N 364.489 4.326 0 40 FIAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc(C)c(C)c3)n[nH]2)o1 31802636 ZRRFSQOMLLNRDA-CMDGGOBGSA-N 353.447 4.468 0 40 FIAB Cc1ccc(C)c(NC(=O)CSCc2nc(-c3cccs3)no2)c1 32778879 HWXOCHGLFBJEOO-UHFFFAOYSA-N 359.476 4.287 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2Cl)cc1OC 32830861 ZJDCXJBGOJVALW-LLVKDONJSA-N 351.805 4.377 0 40 FIAB COc1ccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)c(OC)c1 36360395 DNIIDWSAYOFAHW-UHFFFAOYSA-N 356.809 4.400 0 40 FIAB CC(C)CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38859114 QOQZCCLOBNLMCW-OAHLLOKOSA-N 357.325 4.368 0 40 FIAB Cc1c(C(=O)NCCSc2ccccc2)oc2c1C(=O)CC(C)(C)C2 40115449 AEWKYMLEWKELEI-UHFFFAOYSA-N 357.475 4.265 0 40 FIAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3)n2)cn1 40286541 APCJEXVTTXAFPD-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccccc2)CC(O)=N3)c1 44902781 CPVPEHGNVUSZMH-MRXNPFEDSA-N 362.385 4.308 0 40 FIAB C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47185710 HSBDTUGHDBBZQC-SNVBAGLBSA-N 373.865 4.012 0 40 FIAB CSc1nc(-c2ccco2)nc(C)c1C(=O)N1CCCc2ccccc21 48374671 FVSYREGLXQTTCJ-UHFFFAOYSA-N 365.458 4.360 0 40 FIAB O=C(c1ccccc1)N1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 49168739 KLMPFJPZBJFALA-ZDUSSCGKSA-N 359.351 4.211 0 40 FIAB biogenic,in-vitro CCOC1CCN(C(=O)NCc2cccc(Oc3ccccc3)c2)CC1 52548368 WUAWMLJVGCBLGM-UHFFFAOYSA-N 354.450 4.189 0 40 FIAB COc1ccc(N)cc1NC(=O)c1cccc2c(Br)cccc12 57340137 ITOFCWJAAUMMIB-UHFFFAOYSA-N 371.234 4.445 0 40 FIAB CC(C)c1noc(CNc2cccc(C(=O)N3CCc4ccccc43)c2)n1 58178581 JQVJKMPXPWSRFF-UHFFFAOYSA-N 362.433 4.008 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CCc1csc2nc(C3CC3)cn12 70655572 JEVPBYMUFJUDQB-HNNXBMFYSA-N 367.518 4.343 0 40 FIAB CC(C)N(C(=O)[C@H](C)N(C)Cc1ccc(OC(F)(F)F)cc1)C(C)C 71798360 MMXORGQBLJKDHX-AWEZNQCLSA-N 360.420 4.051 0 40 FIAB O=C(NC1CC1)[C@H](Nc1cccc(Br)c1)c1ccc(F)cc1 71820279 ZCTPQSGDBRIGAX-MRXNPFEDSA-N 363.230 4.020 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@@H](c1ccccc1)N(C)C 71839120 AQRRROXWGQEYFM-FQEVSTJZSA-N 368.912 4.227 0 40 FIAB O=C(c1ccc(Cl)cc1F)N1CC[C@@H](OCCCc2ccccc2)C1 75106084 SKTREYBIAZMBJM-QGZVFWFLSA-N 361.844 4.343 0 40 FIAB CC[C@H](c1ccc(Cl)cc1)N1CCN(Cc2nccn2C(F)F)CC1 78970641 UUCPVRPPTCRAFU-MRXNPFEDSA-N 368.859 4.201 0 40 FIAB COc1ccc(C(=O)N(C)C)cc1NCc1cc2ccccc2nc1Cl 79183487 KIFGDWCGRLVMNA-UHFFFAOYSA-N 369.852 4.211 0 40 FIAB CCCn1nc(C)c(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)c1C 84759123 VSBUEKVSOONKCH-CQSZACIVSA-N 373.497 4.198 0 40 FIAB O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ncoc1-c1cccs1 89836654 WWIUHOOFAOJUIO-HOTGVXAUSA-N 368.458 4.271 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(NC(=O)OCc1ccccc1)C2 95828725 LIDJQARDHLMCOU-UHFFFAOYSA-N 374.481 4.093 0 40 FIAB in-vitro CC[C@H]1C[C@@H](C(=O)N2CCCc3cc(C)c(Br)cc32)CCO1 96002135 RTNRLUZSFPUCHK-GJZGRUSLSA-N 366.299 4.242 0 40 FIAB Cc1oncc1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 96010406 SHWUYKBTADYKOX-UHFFFAOYSA-N 362.458 4.447 0 40 FIAB Cc1cccc2c1NC(=O)[C@@]21Nc2ccccc2C(=O)N1c1ccc(F)cc1 96136847 WRKIUKZLCCOWIE-JOCHJYFZSA-N 373.387 4.012 0 40 FIAB COc1cccc(-c2c(NC(=O)c3ccco3)oc3ccccc3c2=O)c1 100778407 GFVZTAWQXORWCC-UHFFFAOYSA-N 361.353 4.314 0 40 FIAB biogenic Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102324760 FJMSYYOGRQLFID-VWNJHIHFSA-N 357.885 4.389 0 40 FIAB Fc1cccc2[nH]c(CN(Cc3ccccc3)CC3CCOCC3)nc12 111261183 VCWGSFMYFQMKKP-UHFFFAOYSA-N 353.441 4.131 0 40 FIAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@H]12 118929015 SNNJOYYRZHOKFM-JCBWCNRASA-N 358.522 4.489 0 40 FIAB Cc1cccc(CS(=O)(=O)N2CCS[C@@H](c3cccs3)CC2)c1 219550850 OGOZPCKFOHVFTE-QGZVFWFLSA-N 367.561 4.067 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1ccc(OC)cc1 223005198 WUETXLHALMRZFM-LJQANCHMSA-N 361.869 4.473 0 40 FIAB CC(C)CSc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 223296541 VLHGCVONMWDZJG-UHFFFAOYSA-N 365.524 4.427 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223705240 RTEBCRRUPVFZSJ-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224387955 TXDRQTWSYTZPQJ-ZWKOTPCHSA-N 353.422 4.299 0 40 FIAB COc1cccc2cc(C(=O)Nc3nnc(-c4ccccc4)s3)oc12 224569790 ZGCUUTCEWCTOKN-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)Cc3ccccc3)c2)cs1 226097240 PWAXRMCNGOZXMT-UHFFFAOYSA-N 353.447 4.042 0 40 FIAB Cc1nc(Nc2cccc(C3CCN(C(=O)C(C)C)CC3)n2)sc1C 257211517 BZDQUHUVVVQWIB-UHFFFAOYSA-N 358.511 4.261 0 40 FIAB Cc1nc(C)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)s1 329183228 OUVURLREYQKRMX-HNNXBMFYSA-N 372.469 4.329 0 40 FIAB Cc1c(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc2n1C 408806874 BKWXCOKNSPXKJK-UHFFFAOYSA-N 366.441 4.389 0 40 FIAB O=C(Cc1cccc2ccccc12)N1CC[C@H](Oc2ccncc2Cl)C1 575610749 PIGABRFYBDHUMD-KRWDZBQOSA-N 366.848 4.111 0 40 FIAB CC(C)c1nc(C2(NC(=O)c3ccc(F)c4ccncc34)CCCC2)no1 585106359 MAENPFFGQWXCJG-UHFFFAOYSA-N 368.412 4.080 0 40 FIAB C[C@H](NC(=O)N1CCC(CCc2ccc(F)cc2F)CC1)c1cccnc1 654354022 BPWBGIPHXBGWFN-HNNXBMFYSA-N 373.447 4.475 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1 650416 VYXOIGLFEQULNK-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB Cc1ccc2cccc(NC(=S)NC(=O)/C=C/c3cccs3)c2n1 849468 QDNFUCRYLQUFPE-MDZDMXLPSA-N 353.472 4.131 0 40 FIAB Fc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCCCCC2)cc1 883960 JEYJRCRLRCBXGD-IBGZPJMESA-N 357.477 4.283 0 40 FIAB COc1ccc2c(C)nc(Nc3nc(C)cc(-c4ccccc4)n3)nc2c1 1296529 KKIDVDCMZNLINU-UHFFFAOYSA-N 357.417 4.456 0 40 FIAB COc1ccccc1[C@@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1 1322349 SYAXQOMRVZPBCF-LJQANCHMSA-N 360.479 4.007 0 40 FIAB biogenic O=C1Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)c3cccc1c23 2184758 RBFGDXMYZRFHMW-UHFFFAOYSA-N 374.421 4.360 0 40 FIAB COc1ccc(/C=C/C(=O)NCCSc2nc3ccccc3s2)cc1 2189269 SEKIMVKSAWBISY-DHZHZOJOSA-N 370.499 4.227 0 40 FIAB CCCCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O 2276705 NNXUZKXUMGQNOJ-INIZCTEOSA-N 351.450 4.217 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(-c2ccccc2)on1 2795596 VRSHOJPBBROGDO-UHFFFAOYSA-N 372.428 4.074 0 40 FIAB C[C@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 3382474 LQJKUWBCZUZZOE-AWEZNQCLSA-N 365.454 4.366 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2N=C3CCCC[C@H]3[C@]2(O)C(F)(F)F)cc1 4163537 MMKOILUKSWELQU-KDOFPFPSSA-N 368.399 4.237 0 40 FIAB Cc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)cc1 4193223 DZPLRFMCIXWGEI-UHFFFAOYSA-N 373.456 4.172 0 40 FIAB CC(C)(C)c1ccc(CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1 4288573 FYAVWAMYQSRRMH-QHCPKHFHSA-N 364.489 4.427 0 40 FIAB CCc1nnc2sc(-c3cc(C)nc4ccc(Br)cc34)nn12 4539914 NIPSOTQTRAHIDY-UHFFFAOYSA-N 374.267 4.034 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099344 HRZHVDKDXSPZSJ-UHFFFAOYSA-N 374.440 4.444 0 40 FIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1cc(Br)ccc1O 5328232 BIIVGWIQWGZLQS-BMQCHALUSA-N 370.202 4.164 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ccc(Cl)cc1 5863226 QHEPKXRMJBXAIF-UHFFFAOYSA-N 351.855 4.437 0 40 FIAB CCCc1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCO2 5904205 LXCIVIWESVQFTH-UHFFFAOYSA-N 352.386 4.409 0 40 FIAB biogenic CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccccc1F 6542585 TWVVVCAQVJAERH-UHFFFAOYSA-N 362.448 4.163 0 40 FIAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)nc1 6590430 YXQWGKUSFKYZKA-IBGZPJMESA-N 367.493 4.081 0 40 FIAB COc1ccc(C(=O)Nc2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 6809403 PAHGQWIAMMHLQJ-UHFFFAOYSA-N 366.442 4.178 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1OCC 7361017 DKHDJHMOCSQIDO-UHFFFAOYSA-N 363.479 4.210 0 40 FIAB Cc1noc(C)c1COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 7781948 HMROQCSXFIDXBX-UHFFFAOYSA-N 371.414 4.148 0 40 FIAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CCC2CCCC2)cc1 8494372 QVXCOTGYFWRYOZ-OAHLLOKOSA-N 359.466 4.366 0 40 FIAB O=C(CSc1ncc2ccccn12)Nc1cccc(C(F)(F)F)c1 8705713 COJMVHQCPYKYPQ-UHFFFAOYSA-N 351.353 4.084 0 40 FIAB C[C@H](Sc1ncccc1Cl)C(=O)Nc1ccccc1OC(F)F 11251301 SKZVVBHRNDXPLQ-VIFPVBQESA-N 358.797 4.456 0 40 FIAB COc1cc(OC)c(OC)cc1CN1CCCCC[C@H]1c1cc(C)no1 12120286 PHVVWTNDFLHGEK-INIZCTEOSA-N 360.454 4.126 0 40 FIAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(C)c4)c3)cn2n1 12441194 NRBKIJJOFGPMGO-UHFFFAOYSA-N 372.428 4.274 0 40 FIAB Cc1cnc(NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)s1 12817275 DHRFGYPBRVHQFM-VOTSOKGWSA-N 371.487 4.447 0 40 FIAB Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 12910411 UZLMDEPHYDMONV-UHFFFAOYSA-N 363.442 4.256 0 40 FIAB C[C@@H](NC(=O)CN1CC=C(c2ccccc2)CC1)c1cccc(Cl)c1 13055992 KQESGNYRROGQSE-MRXNPFEDSA-N 354.881 4.307 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cc1 14200163 DFIXRYVXSWQXQX-UHFFFAOYSA-N 359.472 4.279 0 40 FIAB Cc1sc(NC(=O)[C@H]2C[C@@H]2C)nc1-c1ccc(Br)cc1 14911541 JYEHXPLHMRGHRV-UFBFGSQYSA-N 351.269 4.476 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1nc(-c2ccccc2)cs1 16026294 XCFFDRAPOCVSNJ-VQHVLOKHSA-N 364.426 4.233 0 40 FIAB Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(C)c(C)c3)S2)cc1 17015656 IJFWYTFLPWQMGL-KRWDZBQOSA-N 367.474 4.051 0 40 FIAB Cn1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 18949064 TYHYAYIZVRSKSV-UHFFFAOYSA-N 362.408 4.279 0 40 FIAB Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4ccccc4)C3)o2)s1 19217568 RXPYDVRWKHKJDM-HNNXBMFYSA-N 353.447 4.126 0 40 FIAB O=C1[C@H](C2CCN(c3cccnc3)CC2)CCCCN1Cc1ccccc1 19696349 JFFXRSDSHKMDMB-QFIPXVFZSA-N 363.505 4.127 0 40 FIAB O=C(COc1ccccc1Cl)Nc1ccc(-c2ccc(CO)o2)cc1 20144583 NUCRJILBXVOACK-UHFFFAOYSA-N 357.793 4.110 0 40 FIAB CC(C)C(=O)N1CCCc2cc(NC(=O)NCc3ccc(F)cc3)ccc21 22504471 VMTGCBLJQWAKEN-UHFFFAOYSA-N 369.440 4.083 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1OCC 22526390 YLKDPWDAZUAJQH-KRWDZBQOSA-N 371.477 4.185 0 40 FIAB OC[C@H](CNc1cc(C(F)(F)F)nc2ccccc12)Cc1ccco1 24206561 BKGJGNGJWPHUBE-LBPRGKRZSA-N 350.340 4.110 0 40 FIAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3Cl)CC2=O)c1 24746317 AIZVMVXBLQGHNM-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB COc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 28221081 QHRXSLQARVPYFM-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB CCCn1c(NS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc21 28232917 UWVOKYOTPOFFAP-UHFFFAOYSA-N 365.458 4.400 0 40 FIAB CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@H](c2ccccc2C)NC(=O)N1 28464950 ZKBSQALDNSMMCQ-SFHVURJKSA-N 369.852 4.223 0 40 FIAB Cc1c([C@H](C)NC(=O)c2ccoc2)cnn1-c1cccc(C(F)(F)F)c1 29318646 AKWKPOCUKCQZAF-NSHDSACASA-N 363.339 4.284 0 40 FIAB Clc1ccc(Cc2nc(CSc3nnnn3C3CC3)cs2)cc1 32913777 RCGPYPIBBVZLMP-UHFFFAOYSA-N 363.899 4.001 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2NC1=O 32988656 BXPFNYWCUMUPPQ-RISCZKNCSA-N 358.488 4.158 0 40 FIAB Cc1noc2nc3c(c(C(=O)Nc4cccc(Br)c4)c12)CCC3 35686453 IGZWGQGGXPTWIF-UHFFFAOYSA-N 372.222 4.035 0 40 FIAB Cc1cc(C(=O)Nc2nc(C(C)C)cs2)c2nc3n(c2n1)CCCCC3 39553855 QVONLRIYQWNRCT-UHFFFAOYSA-N 369.494 4.298 0 40 FIAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)NCc2cc[nH]n2)cc1 40120075 NTAWCRQYLKRYKT-UHFFFAOYSA-N 372.812 4.186 0 40 FIAB CCc1ccc([C@H](C)NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1 40144866 XVLDLMUGOCCXSC-HNNXBMFYSA-N 350.462 4.113 0 40 FIAB Cc1cc([C@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c(C)s1 47089697 OLRMTRIYKDUNNO-VIFPVBQESA-N 359.476 4.167 0 40 FIAB Cc1cccc(Nc2nc(CC(=O)NCCC3=CCCCC3)cs2)n1 49029579 VDHOWJXSMTZIAG-UHFFFAOYSA-N 356.495 4.139 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)NCc3cc(-c4ccccc4)no3)c2)cs1 52990293 IVFMUSWUPYGXFU-UHFFFAOYSA-N 364.430 4.032 0 40 FIAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 55506497 MQFAUOVLRYBUDU-UHFFFAOYSA-N 361.873 4.193 0 40 FIAB O=C(NCc1cccc(O)c1)N1CCC(c2nc3ccccc3s2)CC1 57184312 RAGDSBOBHOAWHW-UHFFFAOYSA-N 367.474 4.091 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 58151165 BNKFIAOIUNFOFH-NRFANRHFSA-N 363.461 4.227 0 40 FIAB O=C(c1ccc2c(c1)CCC2)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 58357488 KSMCDYKWBYGQPK-NRFANRHFSA-N 353.437 4.136 0 40 FIAB COc1cccnc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 65474904 UFBZAMKHLXLBAS-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB COc1cc(NC(=S)Nc2cccc(SC)c2)cc(OC)c1OC 71761286 JWUDSGXMAQFXCJ-UHFFFAOYSA-N 364.492 4.243 0 40 FIAB CCN(C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72212806 JDPJLKUYDPHSCG-IBGZPJMESA-N 353.466 4.402 0 40 FIAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2Cc2ccc(F)cc2)n1 72354572 LCYJFHDKYKQFNC-LJQANCHMSA-N 366.415 4.341 0 40 FIAB O=C(Nc1nc(-c2cccnc2)ns1)c1cc(Cl)nc2ccccc12 89866658 ZIMLEXDUEVLGKA-UHFFFAOYSA-N 367.821 4.054 0 40 FIAB COc1ccc(-c2nc(NCCCO)c3c4c(sc3n2)CCCC4)cc1 96194363 HZUFNGQFXXQYQL-UHFFFAOYSA-N 369.490 4.040 0 40 FIAB CC(C)NC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96267022 WPAZEPOPWZAHIN-UHFFFAOYSA-N 362.408 4.069 0 40 FIAB CCOc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104529358 WHOJMYDRQPWBGW-INIZCTEOSA-N 364.397 4.250 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 109032618 PMFUBIXVSYKVSG-DFEOGRTESA-N 369.509 4.177 0 40 FIAB CO[C@H](CNC(=O)c1cc(Br)cs1)c1ccccc1Cl 206851890 FXIIMXYRIBLYLN-GFCCVEGCSA-N 374.687 4.282 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccccc1C 219289436 MODWBVBOWORESA-SJLPKXTDSA-N 353.462 4.489 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)COc1ccccc1C 219376243 ZZAJHJZXISXKIW-RTBURBONSA-N 355.478 4.353 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SC)s1 222592108 LYFPXHOAXKAXCI-LLVKDONJSA-N 357.888 4.018 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222711681 HVXDUMZWVSSQHE-QFBILLFUSA-N 369.461 4.109 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C(F)(F)F)c1 223269661 JIABIFLKCJHJTN-QGZVFWFLSA-N 351.368 4.488 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)s1 223331094 IVVBTKXFZDJSIX-SJORKVTESA-N 355.488 4.217 0 40 FIAB CCc1cc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1OC 223752087 FBLZXOYBYANMIP-UHFFFAOYSA-N 361.507 4.202 0 40 FIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1C 223938011 MBPNQPKALUTTFS-SFHVURJKSA-N 363.457 4.419 0 40 FIAB Cc1ccc(SCCNC(=O)COc2cccc3c2CCCC3)cc1 225235085 VWWKWYNZFSRUNP-UHFFFAOYSA-N 355.503 4.161 0 40 FIAB CCCCc1ccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1 225752504 UNUWYKQHLKNLTF-UHFFFAOYSA-N 352.409 4.122 0 40 FIAB CCOc1ccccc1NC(=S)N[C@H](C)COc1ccc(C)c(C)c1 225789426 PTQPUUYZSSDPBH-MRXNPFEDSA-N 358.507 4.456 0 40 FIAB O=c1oc2ccccc2cc1-c1ccc(I)cc1F 226358510 VEBQQXNKGSUSJP-UHFFFAOYSA-N 366.129 4.204 0 40 FIAB CO[C@]1(COc2ccc(C)cc2)CCCN(Cc2ccc(O)cc2)CC1 257233403 GPDJDUBCEPAIDK-JOCHJYFZSA-N 355.478 4.151 0 40 FIAB C[C@@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)C1CCC1 645913875 RXIATXYNSIIJGP-GFCCVEGCSA-N 361.873 4.002 0 40 FIAB CC1(C)CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC(C)(C)C1 659039131 HAIOGWGBXQSKMF-SFHVURJKSA-N 359.514 4.028 0 40 FIAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nocc5C)(C4)C2)C3)cc1 676477353 HKSJRASISYPNJL-KILAXVPQSA-N 366.461 4.468 0 40 FIAB C=CC(=O)Nc1cccc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c1 1598429482 WWNIRACUDJQNBE-OAQYLSRUSA-N 360.457 4.493 0 40 FIAB CO[C@H]1C[C@@H]2CN(CC3CCCC3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242866 WQELKXZSZVMGRR-YDLSIGKMSA-N 367.537 4.433 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(Cl)cc2)cc1 938198 ZYNXSSXJKIIBLW-BLXFFLACSA-N 373.836 4.322 0 40 FIAB Cc1nnc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)s1 2309710 VODLYEFDQVAPIB-UHFFFAOYSA-N 369.233 4.369 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3ccccc3)nnc21 2420558 CAKKULYVNVOTHY-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1ccc(Cl)cc1-n1nnc(C(=O)Nc2ccc(C)c(C)c2)c1C 2713269 WBXIOZMNJJGCOD-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB Cc1ccc(NC(=S)NC[C@H](c2ccco2)N2CCCCC2)cc1C 3330324 WYHZMMHAMOJLBF-GOSISDBHSA-N 357.523 4.410 0 40 FIAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 3364992 KHWMUOKROPCAHB-SFHVURJKSA-N 363.244 4.269 0 40 FIAB Cc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 3554532 HSOMJFIQGBANJQ-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB CCCCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 3577897 OKMRMQDBHHWSKU-LGMDPLHJSA-N 351.402 4.219 0 40 FIAB CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1OC 4038570 FQIZQPFHDUAPAR-UHFFFAOYSA-N 365.462 4.142 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(Cl)cc1 4676037 OAKHBFOEGJTVPH-OAHLLOKOSA-N 358.869 4.196 0 40 FIAB COc1cc(-c2nc3ncccn3c2Nc2c(C)cccc2C)ccc1O 4735147 MXKFMJHOUMYZBB-UHFFFAOYSA-N 360.417 4.471 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)c1 4854283 MBVKDUSEHOWUAT-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1cccs1 4869250 BNFKERPODMHDEQ-UHFFFAOYSA-N 360.460 4.404 0 40 FIAB CCCC[C@H](OC(=O)c1cc2sccc2n1C)C(=O)NC1CCCC1 4966909 DFALMURESYJQTG-INIZCTEOSA-N 362.495 4.014 0 40 FIAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCc2ccccc21 5604129 FXVLZDSPRXFFIX-UHFFFAOYSA-N 351.427 4.230 0 40 FIAB Cc1ccc(C)c(-n2nnnc2SCCCC(=O)c2cccs2)c1 6098608 NMYGVLPQEFZYDA-UHFFFAOYSA-N 358.492 4.096 0 40 FIAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C 6339829 OYBBYUPVFFWFSY-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CCc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 6947741 ZYWGWVJPPXKDTA-ROUUACIJSA-N 364.449 4.004 0 40 FIAB CCOc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 7215312 OZGFWESJLJACPP-UHFFFAOYSA-N 374.289 4.213 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1OCC 7927747 YNNGNKASISBWHE-UHFFFAOYSA-N 373.833 4.077 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)c2c(c1)OCCO2 7990516 LTBBYFDJXJUZSY-UHFFFAOYSA-N 372.273 4.488 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cc3cc(OC)ccc3o2)cc1Cl 8166187 GGEPINZJYFLODU-UHFFFAOYSA-N 359.765 4.134 0 40 FIAB CC[C@@H](c1ccccc1)c1nn2c(Cc3ccc(OC)cc3)nnc2s1 8392939 PLXYFWRVFNUQGX-KRWDZBQOSA-N 364.474 4.327 0 40 FIAB CC(C)CCNC(=O)Cc1csc(SCc2ccc(F)cc2)n1 8853902 ABDZOLUHYOWJCT-UHFFFAOYSA-N 352.500 4.279 0 40 FIAB O=C1NC(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 9109630 VYDFGTMLMVHWMD-NDENLUEZSA-N 367.408 4.023 0 40 FIAB C[C@H](Sc1nnc(NC(C)(C)C)s1)C(=O)Nc1ccc(F)cc1F 9446370 ABRFTINHECEUBA-QMMMGPOBSA-N 372.466 4.146 0 40 FIAB Cc1cccc2cc(CN(CC(C)C)C(=O)c3cccs3)c(=O)[nH]c12 9446387 MAWAXYKESORUQM-UHFFFAOYSA-N 354.475 4.196 0 40 FIAB O=C(NCc1ccccc1OC(F)F)c1cc(Br)ccc1F 10114684 RAZFTLARIRARJZ-UHFFFAOYSA-N 374.156 4.120 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCSc2ccccc21 10215861 XKDIYIABYGSITH-SFHVURJKSA-N 363.486 4.456 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 10577416 IYZFJLTVHLZWIO-UHFFFAOYSA-N 372.446 4.390 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)c2ncoc2-c2cccs2)cc1C 12185469 OHOQHZQHRUVORG-UHFFFAOYSA-N 355.419 4.312 0 40 FIAB CCCc1ccc(NC(=O)CNc2ccc(OC)c(OC(F)F)c2)cc1 12526719 XWOMVGJUKAFBLG-UHFFFAOYSA-N 364.392 4.300 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C)O[C@H](C)C2 12564906 QZJDTZKEKRFYNV-CABCVRRESA-N 354.450 4.156 0 40 FIAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(C)cc1Cl)(C3)C2 12686766 DQPHCNAJLDGZMZ-JNKARSBBSA-N 360.885 4.062 0 40 FIAB C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1F 12908397 MAWODMVILUEBTA-LBPRGKRZSA-N 374.412 4.491 0 40 FIAB O=C(O)C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 13173642 NLUCLIUJFYFCRS-CYBMUJFWSA-N 356.180 4.078 0 40 FIAB COc1cccc(OC)c1CN(Cc1cccnc1)Cc1cccs1 13569716 MVGVQROAINJVCC-UHFFFAOYSA-N 354.475 4.363 0 40 FIAB CC[C@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)Nc1cc(C)on1 13945131 JHBVHVMZPIDMAB-AWEZNQCLSA-N 356.451 4.191 0 40 FIAB O=C1C[C@H](c2ccsc2)c2cnn(-c3ccc(Br)cc3)c2N1 14000895 JAJUSEBGEWRVLZ-CYBMUJFWSA-N 374.263 4.170 0 40 FIAB COc1ccc(-c2nc(C(=O)N3CCc4ccccc43)cs2)cc1OC 14122553 KYLACUDHGDHGFC-UHFFFAOYSA-N 366.442 4.030 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)N(C)C 14168817 HJEWZKORHYJONF-MRXNPFEDSA-N 367.276 4.035 0 40 FIAB COc1ccccc1CC(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 15719965 PTBXRDBEYPWOHI-UHFFFAOYSA-N 365.404 4.486 0 40 FIAB CCCCCOc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 15831644 RKOHJRLRTZBALE-HXUWFJFHSA-N 370.493 4.416 0 40 FIAB COc1ccc(CCC(=O)Nc2ccccc2Br)cc1OC 16027416 ONTYUZBVCAKGGN-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB Cc1nc2[nH]c(-c3ccc(Br)cc3)nc2cc1Br 16249892 DRRPHYFUDOJMTO-UHFFFAOYSA-N 367.044 4.458 0 40 FIAB O=C(CSc1cccc2cccnc12)Nc1nc2c(s1)CCCC2 16448833 VLAIHOOKJYMXDE-UHFFFAOYSA-N 355.488 4.301 0 40 FIAB COc1ccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)cc1 16837604 WYKRADYNOGISPS-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB O=C(NCCOc1ccccc1F)N(Cc1ccco1)Cc1cccs1 17698108 VYVCYHJOZQLBJZ-UHFFFAOYSA-N 374.437 4.271 0 40 FIAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc(F)cc1Cl 23131259 KLABKHUGMKBCBJ-UHFFFAOYSA-N 365.195 4.274 0 40 FIAB O=C(CCCc1nc2ccccc2s1)N1CCO[C@H](c2ccccc2)C1 23896810 OUICULVUTWGHQF-SFHVURJKSA-N 366.486 4.219 0 40 FIAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 24558441 WJBSLZNHZTXVDJ-HNNXBMFYSA-N 358.445 4.082 0 40 FIAB Cc1cc(C)n(CCC(=O)Nc2ccccc2N2CCc3ccccc3C2)n1 25800940 ZOONMBVJXUARMF-UHFFFAOYSA-N 374.488 4.091 0 40 FIAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1OCc1ccncc1 27605445 VLOUZRNCECSYJD-MRXNPFEDSA-N 362.429 4.160 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 27976920 RDRAPVKOCLKEPD-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB COc1ccccc1[C@H](CNC(=O)c1oc2cc(C)ccc2c1C)N(C)C 28290752 FZJIKHHBLYRBRV-SFHVURJKSA-N 366.461 4.091 0 40 FIAB O=C(COc1ccccc1)N(Cc1ccccc1Cl)c1ccccn1 28290856 LKOOHTKYHUPGOH-UHFFFAOYSA-N 352.821 4.347 0 40 FIAB CC[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 28409702 CDNVEMDTUFGKFR-CQSZACIVSA-N 360.479 4.089 0 40 FIAB CC[C@@H](CNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1ccccc1 29475887 PBBMMKYRZCGBMX-PGRDOPGGSA-N 362.473 4.261 0 40 FIAB Cc1ccccc1-n1ncc(C(=O)Nc2nc3ccccc3[nH]2)c1C1CC1 29739940 JIRKDEULNQSPII-UHFFFAOYSA-N 357.417 4.187 0 40 FIAB Cc1ccccc1CC(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817207 NSLSLBZJZZOCND-UHFFFAOYSA-N 359.351 4.381 0 40 FIAB CC(=O)c1ccc(NC(=O)CCSc2cc(C)nc(C(C)C)n2)cc1 32871289 IIRAXXCWUOSMBR-UHFFFAOYSA-N 357.479 4.232 0 40 FIAB COc1ccc(CN2C(=O)c3ccccc3N=C3c4ccccc4CN32)cc1 33428947 YMBJMWONUVVYST-UHFFFAOYSA-N 369.424 4.160 0 40 FIAB CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1ccccc1N1CCCC[C@@H]12 33428955 CJVGPIULFORXJU-GGAORHGYSA-N 359.473 4.319 0 40 FIAB COc1ccc(NC2(c3nnnn3-c3ccc(Cl)cc3)CCCC2)cc1 35622725 GGWFLWFWDVRTKJ-UHFFFAOYSA-N 369.856 4.206 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 38752850 BCWBJXZIKLIVCW-ROUUACIJSA-N 366.505 4.418 0 40 FIAB C[C@H](OCc1ccccc1)C(=O)Nc1nc(-c2cccc(F)c2)cs1 40088889 PLCRQBQKQMWPMB-ZDUSSCGKSA-N 356.422 4.493 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)N1CCCc2ccc(F)cc21 40117197 OKPJXUPWHWKCFO-UHFFFAOYSA-N 352.434 4.471 0 40 FIAB Oc1cc(-n2cnnc2)ccc1-c1nc2cc(-c3ccccc3)ccc2o1 45920474 LHWGRECSMZKOQN-UHFFFAOYSA-N 354.369 4.448 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(OC[C@H]2CCCO2)c1 55652773 NWZRUWITGGACHR-OAHLLOKOSA-N 373.474 4.216 0 40 FIAB Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2ccsc2)C3)cc1 56911660 QBILBIGETVUOJZ-UHFFFAOYSA-N 374.469 4.189 0 40 FIAB Cc1ccc(-c2[nH]ncc2CN2CCN(c3cccc(C)c3C)CC2)cc1 57541793 LSWATCSGKIYAJZ-UHFFFAOYSA-N 360.505 4.324 0 40 FIAB C[C@@H](NCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 58167714 AANHVDONNHAFFC-LLVKDONJSA-N 356.775 4.476 0 40 FIAB CCOc1ccc(-c2nc(NC(=O)c3ccnc(F)c3)sc2C)cc1 58215073 ZBEQGGYHGCWTGC-UHFFFAOYSA-N 357.410 4.304 0 40 FIAB CS(=O)(=O)Nc1cccc2c1CCCN2Cc1cccc2ccccc12 59404437 VTSUJNHVOBVTBG-UHFFFAOYSA-N 366.486 4.164 0 40 FIAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1cccc(Cl)c1 64977430 IBFNYLAVODYCDV-UHFFFAOYSA-N 353.784 4.004 0 40 FIAB Cc1nn(C(F)F)c(C)c1CC(=O)NC1(c2ccc(F)cc2)CCCC1 65560462 PIEJRROXOIUGQN-UHFFFAOYSA-N 365.399 4.162 0 40 FIAB Cc1nnc([C@@H](C)OC(=O)c2c(-n3cccc3)sc3c2CCCC3)o1 68506103 FXJGERFMLNTACG-LLVKDONJSA-N 357.435 4.027 0 40 FIAB Cc1nc(C2(NC(=O)Nc3nc(C4CC4)cs3)CCCCCC2)no1 72288942 HFKQKGJILIQYOX-UHFFFAOYSA-N 361.471 4.083 0 40 FIAB COc1ccccc1Cc1cccc(C2CCN(Cc3ccncc3)CC2)n1 72348825 NTIAXGMXHNYPDF-UHFFFAOYSA-N 373.500 4.456 0 40 FIAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 72349419 PNWBVJSBURURQZ-NRFANRHFSA-N 371.484 4.401 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356080 WUUVBRAHFJQWBT-JOCHJYFZSA-N 371.484 4.396 0 40 FIAB C[C@H](NC(=O)c1ccccc1OC(F)F)c1nc(C2CCCCC2)no1 76068241 BHDPCHFFQKIEEC-NSHDSACASA-N 365.380 4.210 0 40 FIAB CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC(=O)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@@]12C 78584785 WDXFAOOXKQDOOG-ZITVTUJRSA-N 374.521 4.345 0 40 FIAB Cc1nc(C)c([C@@H](C)NC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1 84079609 GHJICHKGZLAMCG-SNVBAGLBSA-N 359.417 4.232 0 40 FIAB O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@H]1c1ccc(O)cc1 84541466 WNCZMOJVYYGZQP-IBGZPJMESA-N 364.470 4.417 0 40 FIAB O=C(NCCc1ccccc1)N1CCC(CSCc2ccco2)CC1 85472485 YMNPGDLUXSBSRI-UHFFFAOYSA-N 358.507 4.177 0 40 FIAB Cc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1 96051151 SKXVCJREEXPHRN-GOSISDBHSA-N 363.477 4.189 0 40 FIAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc2c(c1)OCCCO2 96223191 HJFCCNVSTPCNJR-SFHVURJKSA-N 362.429 4.137 0 40 FIAB O=C(CCc1ccccc1F)NCc1cccc(Oc2ccccn2)c1 96382522 XSDZRMCYNRQDGY-UHFFFAOYSA-N 350.393 4.262 0 40 FIAB Cc1cccc(Cn2cccc2-c2nc(-c3ccc4c(c3)OCO4)no2)c1 98211292 UVNBGQDBVOIKAR-UHFFFAOYSA-N 359.385 4.291 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3C)ccc2c1 224028390 KCZZOJSHRXOEQJ-HNNXBMFYSA-N 355.459 4.196 0 40 FIAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccc(Br)cc1 224185043 FEIJKSJNHJYDPA-ZDUSSCGKSA-N 362.333 4.085 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224617559 NJVMGLNOEXQGTH-IBGZPJMESA-N 373.468 4.476 0 40 FIAB O=C(O)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547511 PFIUUXFDEZNTNM-UHFFFAOYSA-N 371.408 4.130 0 40 FIAB Cc1ccc(C)c(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225820142 FECFCOLDHPECGO-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cn1cccc1CN(C(=O)c1ccc2oc(Cl)nc2c1)C1CCCC1 225982310 YBPJDDJPWHTSTO-UHFFFAOYSA-N 357.841 4.405 0 40 FIAB O=C(CSC1=N[C@H]2CCCC[C@@H]2O1)N1c2ccccc2[C@@H]2CCCC[C@@H]21 229917388 CVBUAWPIJKKUHS-CAMMJAKZSA-N 370.518 4.490 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@@H](O)CN1CCc3ccccc3C1)C2 230111585 ZDEGWONPYAWLCN-GNXKAVGDSA-N 357.538 4.027 0 40 FIAB NC[C@H]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)CC1 257318920 VPYUSLOFROAZES-HDJSIYSDSA-N 366.490 4.176 0 40 FIAB Cc1cc(C)c(CN2CCO[C@@]3(CCCC[C@H]3N3CCCC3)C2)cc1C 306136512 PVQOTSXUDFCBDQ-PKTZIBPZSA-N 356.554 4.221 0 40 FIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 408561577 JXYZPBUEKIBMSH-MRCUWXFGSA-N 352.459 4.295 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)/C=C/c2ccsc2)c2ccsc2)n1 575612938 DRKMKACRDWNBAL-REMYHPOOSA-N 357.504 4.042 0 40 FIAB CC(C)(C)SCc1nnc2sc(-c3ccc(Br)o3)nn12 1772491154 FASCCEJQVUOECA-UHFFFAOYSA-N 373.301 4.240 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3noc(-c4ccc(C)cc4)n3)no2)cc1 1775975832 LVWCYPFFXSJQID-UHFFFAOYSA-N 360.373 4.261 0 40 FIAB Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1F 1775975924 QNTTULMSDCPHJT-HOTGVXAUSA-N 370.472 4.031 0 40 FIAB CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1 1888976915 HJRSASYUNLFALJ-UHFFFAOYSA-N 373.419 4.184 0 40 FIAB c1cc2nc(c1)OCCOCC1(CCC2)CCN(Cc2ccsc2)CC1 2037978262 LXDSWSGLJCCOGT-UHFFFAOYSA-N 372.534 4.157 0 40 FIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3C)C2=O)cc1Cl 703501 DOJBAMGADGOPQC-UHFFFAOYSA-N 361.228 4.393 0 40 FIAB CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)nc2ccc(F)cc12 1223996 JVNDRTMKFSJDHP-LBPRGKRZSA-N 356.422 4.480 0 40 FIAB COC(=O)c1ccc(NC(=O)C(F)(F)Oc2ccc(Cl)cc2C)cc1 1400346 TWEXXDGGFZISLI-UHFFFAOYSA-N 369.751 4.045 0 40 FIAB CCN(CC)CCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 2256060 NTMAYZVLKLVWIG-UHFFFAOYSA-N 371.550 4.473 0 40 FIAB Cc1cc(C)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1C 2643328 JVYJVPWGSSTDNU-UHFFFAOYSA-N 357.759 4.329 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1cc2ccccc2o1 3284475 DJCHYPNNXRSSGT-UHFFFAOYSA-N 374.396 4.275 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](CC(C)C)NC(=O)C1CCC(C)CC1 3895851 SPYOYRJOTQDRTB-FAFZWHIHSA-N 374.525 4.381 0 40 FIAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)NC1CCCCC1 4140937 DVISAOQTUMBDBC-UHFFFAOYSA-N 366.383 4.144 0 40 FIAB Cc1ccc(C)c(CSc2ncnc3c2nnn3Cc2ccccc2)c1 4166365 CPPZMYAOARPCOM-UHFFFAOYSA-N 361.474 4.179 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Oc2cccc3ccc(C)nc23)cc1 4832855 DOSPABKRWVSRJE-UHFFFAOYSA-N 371.458 4.490 0 40 FIAB CCCCOc1ccc(N2C(=O)CN=C2Nc2cc(C)cc(C)c2)cc1 4851265 GUFFUFYMPIOUEG-UHFFFAOYSA-N 351.450 4.297 0 40 FIAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 4927685 SDLXULNZSDDLHI-SFHVURJKSA-N 367.518 4.492 0 40 FIAB COc1cccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c1 5146658 SAAQUKFDWZOBEW-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB Cc1ccc2[nH]c(S[C@H](C(=O)N3CCCC3)c3ccccc3)nc2c1 5184874 IYMHNNKTJWGZBG-SFHVURJKSA-N 351.475 4.327 0 40 FIAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1=O 5269193 CEDWJHAYMMTWPA-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Cc1cc(C(=O)Cn2nnc3ccccc32)c(C)n1CCc1cccs1 5298481 ZXCZDJMAYDNHPE-UHFFFAOYSA-N 364.474 4.037 0 40 FIAB CCOc1c(Br)cc(C(=O)Nc2cccc(C)c2)cc1OC 6339011 QWAVYJQYEXKSLU-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1Cl)NCc1ccc(Cl)cc1 7007614 ZATLBMGDQJYARK-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB Cc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)N2CCCCCC2)c1 7178055 MTJZSSWGYMVYNN-QGZVFWFLSA-N 357.523 4.372 0 40 FIAB COc1ccc(OC)c(COC(=O)CCCc2nc3ccccc3s2)c1 7276936 XVVKGKFRHZPDOY-UHFFFAOYSA-N 371.458 4.380 0 40 FIAB CCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CC 7605438 JQVNRSKNLMUVTL-UHFFFAOYSA-N 372.416 4.000 0 40 FIAB Cc1ccc2oc(C(=O)OCc3ncc(-c4ccccc4)o3)cc(=O)c2c1 7624287 QCLWDQKFHJKIBU-UHFFFAOYSA-N 361.353 4.113 0 40 FIAB C[C@H](NC(=O)COc1ccc(Br)cc1)c1cc2ccccc2o1 7889301 FILWRJDRWKEKNL-LBPRGKRZSA-N 374.234 4.452 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cccc(C)c2C)CC1=O 7929335 IRXASBHFEPJUCN-LJQANCHMSA-N 365.473 4.387 0 40 FIAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc(/C=C/c2ccccn2)c1 7977014 KCQZOCRBCWPMAQ-VIOKTNGOSA-N 370.408 4.492 0 40 FIAB C[C@H]1c2cccc(C(=O)NCc3ccccc3CN3CCCC3)c2O[C@@H]1C 8389195 RPJZVWPRBTXCKE-IAGOWNOFSA-N 364.489 4.097 0 40 FIAB O=C(Nc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 8429357 HDVZGOZQYICNCR-UHFFFAOYSA-N 365.290 4.069 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 8617434 URXWVWVPMJSAJD-HZMAHWLLSA-N 370.489 4.185 0 40 FIAB O=[S@@](Cc1cc(Cl)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 8733590 QVXIPUOZCHJVHB-HSZRJFAPSA-N 364.257 4.153 0 40 FIAB Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 8747111 GMOARNRYRMGHIC-SFHVURJKSA-N 373.456 4.034 0 40 FIAB CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CC 9060390 IDJDXTPMYSRPBD-UHFFFAOYSA-N 368.481 4.423 0 40 FIAB CCOc1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 10448984 AQNBSSQALFYIFS-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 10489620 PQBKCZUADHWCBW-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2)cc1 11505939 AWADBKLAHBDMFE-UHFFFAOYSA-N 374.400 4.401 0 40 FIAB COc1ccc(CNC(=O)Cc2sc(C)nc2-c2cccs2)cc1 11905903 MYRGXHDUWIXRLQ-UHFFFAOYSA-N 358.488 4.048 0 40 FIAB COc1ccc([C@@H]2[C@@H](NC(=O)c3cccnc3C)[C@@H]3CCCC[C@H]32)cc1 12366615 NANNOSCGQZJIFP-CGXNFDGLSA-N 350.462 4.101 0 40 FIAB Cc1ccccc1-c1nn(CN2CCc3sccc3C2)c(=S)n1C 12772852 HABNSIUHCXXRCO-UHFFFAOYSA-N 356.520 4.004 0 40 FIAB COCCN(C(=O)c1cc2ccccc2o1)c1nc2ccccc2s1 12944475 DHOPAAKRKLYHQF-UHFFFAOYSA-N 352.415 4.336 0 40 FIAB CCOC(=O)Nc1sc(NC(=O)C(C)C)nc1-c1ccc(F)cc1 13571053 CGKLGJDGVBLINO-UHFFFAOYSA-N 351.403 4.112 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1cccc(C(F)(F)F)c1 14250447 CQQKNQOQPBQKKS-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB CC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3c([nH]c4ccccc34)[C@]12C 15106214 LGIABOLBJXWIES-NRFANRHFSA-N 367.493 4.071 0 40 FIAB CC(C)=CCc1cc2c(cc1O)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 15149467 UFBHHWPUVXVFRG-QVKFZJNVSA-N 352.386 4.239 0 40 FIAB biogenic CC1CCN(C(=O)[C@@H](C)n2c(Cc3ccccc3)nc3ccccc32)CC1 16047030 TYBKJOILTROACK-GOSISDBHSA-N 361.489 4.447 0 40 FIAB O=C(Cn1cnc2ccccc21)Nc1ccc(Br)cc1Cl 16545636 HXEAKOYSQBXGNU-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB CC1(C)CC(NC(=S)Nc2ccc(C(F)(F)F)cc2)CC(C)(C)N1 17074140 MDXGWHPPRLTSHY-UHFFFAOYSA-N 359.461 4.301 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2CC)c1 19932103 YAIWFRNOLLFFRV-HNNXBMFYSA-N 355.434 4.140 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 20108491 HOHFYDTUIUDEOW-QGZVFWFLSA-N 370.468 4.065 0 40 FIAB CSc1ccc(-c2noc(-c3c[nH]c4ccc(F)cc4c3=O)n2)cc1 20735666 DNNTUEHKIDRHNZ-UHFFFAOYSA-N 353.378 4.106 0 40 FIAB C[C@H](Oc1ccccc1Br)C(=O)Nc1cccc2cccnc12 27974896 FBOHVOUGNRYMLA-LBPRGKRZSA-N 371.234 4.403 0 40 FIAB COc1ccc(OC)c(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1 28220172 SJKAYJWKNAEBLU-UHFFFAOYSA-N 372.812 4.187 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](C(=O)O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1 32109879 IEYXJQVIWCATHW-MUGJNUQGSA-N 352.430 4.228 0 40 FIAB O=C(CCC(=O)N[C@H]1CCCc2ccccc21)CCC(=O)c1cccs1 32656978 LDSKMJYQBHPWDX-SFHVURJKSA-N 369.486 4.254 0 40 FIAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(OCc2cccnc2)cc1 32931005 KAOLKLPJONVPJQ-UHFFFAOYSA-N 365.433 4.010 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 39918137 WDMNHMKYCCKFPT-ZDUSSCGKSA-N 362.351 4.005 0 40 FIAB COc1cc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc(OC)c1C 40047333 PULOUFBUYCYDIP-GOSISDBHSA-N 356.466 4.108 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)OCc3nc4ccccc4s3)cc2c1 40050221 LFIUQFOEHTYUGK-UHFFFAOYSA-N 368.414 4.152 0 40 FIAB COc1ccc(Cc2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)o2)cc1 40068571 BIRHXIPGXSPQNP-NSHDSACASA-N 374.466 4.203 0 40 FIAB CC(=O)c1cccc(NC(=O)Cn2ccc3c(Br)cccc32)c1 40285200 FNOSBIMFJRSUQW-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB O=C(COCc1ccccc1Cl)N[C@@H]1CCSc2ccc(F)cc21 44371226 LKXMOKIQVDXSMZ-MRXNPFEDSA-N 365.857 4.349 0 40 FIAB CC(C)CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078839 IGZRZJQLNDMHIQ-UHFFFAOYSA-N 370.880 4.319 0 40 FIAB O=C(NCCc1cc(F)cc2c1OCOC2)Nc1cccc2ccccc12 47697881 OVRWAUVNUMNREL-UHFFFAOYSA-N 366.392 4.210 0 40 FIAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(O)c(Cl)c2)C1 49549042 UIUJFUILLXGELT-AWEZNQCLSA-N 353.809 4.414 0 40 FIAB O=C(Nc1ccn(CCc2ccccn2)n1)c1ccc(Cl)cc1Cl 51418149 HNUCADMROVSIJH-UHFFFAOYSA-N 361.232 4.080 0 40 FIAB COC(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 59250825 YVVMVQQWSOGDQR-UHFFFAOYSA-N 371.396 4.269 0 40 FIAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 61997243 ICZGNTXFEIISCY-MRXNPFEDSA-N 369.804 4.435 0 40 FIAB O=C(Nc1nnc(SCc2cccc3ccccc23)s1)[C@H]1CCCO1 61997266 AVEMCGPQAXPSSV-OAHLLOKOSA-N 371.487 4.101 0 40 FIAB COc1ccc(-c2cc(=O)n3ncc(-c4ccc(Cl)cc4)c3[nH]2)cc1 71405459 FUJBFNOIIHWPPN-UHFFFAOYSA-N 351.793 4.019 0 40 FIAB Cc1ccccc1C(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165834 BFXFDKMEMDEOQY-ROUUACIJSA-N 352.434 4.285 0 40 FIAB CCc1nnc(O)c(-c2nc(-c3[nH]c(C)c(C(C)=O)c3C)cs2)c1CC 79108472 PKFMGRNGTMOYEW-UHFFFAOYSA-N 370.478 4.245 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2cccc(C(F)(F)F)c2)CC1 95932379 BSPQSCGTDUUYRB-UHFFFAOYSA-N 373.371 4.059 0 40 FIAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2cccs2)CC3)c1 96049432 IHXHZXZPLVWEMR-UHFFFAOYSA-N 354.519 4.214 0 40 FIAB O=C(/N=c1\c2ccccc2nc2n1CCCCC2)c1ccc(Cl)cc1 102948677 VOZUFIAEFWEIBD-FCDQGJHFSA-N 351.837 4.157 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)cc1 224339183 VNXKVLXCTVABCR-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB Cc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c(C)c1 224659880 KQOPUYUUSCTTDM-UHFFFAOYSA-N 369.852 4.208 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 225168383 HRWLGRFTIAHIOW-SFHVURJKSA-N 367.489 4.145 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(F)cc2)c(C)c1 225548076 GXEKFKKGOFKBDX-UHFFFAOYSA-N 374.481 4.230 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)c1cc2ccccc2s1 225616846 IAARXOSWIHEBKR-UHFFFAOYSA-N 357.500 4.441 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408640813 JXGBPPOBNIGOPB-SFHVURJKSA-N 358.441 4.394 0 40 FIAB CC(C)Cn1ncc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1C1CC1 557929240 KVLOQKDRDHHZNZ-SFHVURJKSA-N 353.466 4.173 0 40 FIAB COc1ccncc1CN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 558100595 NBLQRTWBRZTWPZ-KRWDZBQOSA-N 364.493 4.400 0 40 FIAB Cc1cc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)cc(C)c1F 562462615 ZDAOMMAABDAPSN-UHFFFAOYSA-N 368.377 4.027 0 40 FIAB CN(c1nnc(-c2ccccn2)n1Cc1ccco1)C1CCC(C)(C)CC1 585085272 XBFMUNOVQLFRIM-UHFFFAOYSA-N 365.481 4.386 0 40 FIAB COCc1ccc(NC(=O)N2CCOC[C@@H]2CC(C)C)cc1C(F)(F)F 667773911 UULQHNSIJYVUPW-HNNXBMFYSA-N 374.403 4.131 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3c(C)cccc3C)n2)cc1 646314 IFNRPRJSGXHKPX-UHFFFAOYSA-N 368.458 4.453 0 40 FIAB C[C@]1(C(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc2C(=O)O1 818838 LRHQGOIDRZXSNK-QGZVFWFLSA-N 350.201 4.104 0 40 FIAB COc1cccc(C(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 905496 VHQAKUBBHOEGKE-UHFFFAOYSA-N 360.822 4.374 0 40 FIAB COC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 942585 GMLGQLIVACDGDL-AWEZNQCLSA-N 368.385 4.142 0 40 FIAB CC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1OC(C)=O 1672888 KUWRVUHDRLGHNQ-UHFFFAOYSA-N 353.201 4.435 0 40 FIAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2368490 RJTNCDOUERVZFM-UZUQRXQVSA-N 353.786 4.037 0 40 FIAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(c1ccccc1)c1ccccc1 2389793 YLGVWWIOFMUJSK-QGZVFWFLSA-N 355.434 4.187 0 40 FIAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc(F)cc1F 2468232 GOYPGVFLCTZVFN-UHFFFAOYSA-N 363.364 4.020 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2734387 AYMKOFKEDAABNS-UHFFFAOYSA-N 351.658 4.296 0 40 FIAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(F)cc1 3265741 AJGJMGVQSMZFJC-UHFFFAOYSA-N 367.449 4.093 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 3435501 XCFUTFQAPMSHND-QHCPKHFHSA-N 372.468 4.483 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2o1)NCCCc1ccccc1 3443749 FFQOEPIXOGRSHF-UHFFFAOYSA-N 360.866 4.322 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(OC)c1 3519558 WVLHHIKOCGJSNO-CZXUKVBWSA-N 351.446 4.301 0 40 FIAB CC(=O)c1cccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)c1 3912208 KFUUCCMOEAOWCM-UHFFFAOYSA-N 357.417 4.379 0 40 FIAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccccc1Br 4664876 YWVKMVVLVWWFKH-AWEZNQCLSA-N 362.267 4.126 0 40 FIAB COc1ccccc1-n1ccnc(SCc2ccccc2Cl)c1=O 4853125 KBSDKSJVCCKYFA-UHFFFAOYSA-N 358.850 4.187 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1 5154058 KKJMINJMSUVLRH-UHFFFAOYSA-N 362.473 4.462 0 40 FIAB Cc1ccc(-c2nc(CN3C(=O)NC4(CCCCCC4)C3=O)cs2)cc1 5225703 JBENSTBGJZZQOY-UHFFFAOYSA-N 369.490 4.263 0 40 FIAB Cc1cc(C)nc(SCC(=O)n2c3c(c4ccccc42)CCCC3)n1 5926555 ZRNXWZDOICMJRS-UHFFFAOYSA-N 351.475 4.359 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 6241834 SDBUXXHHAVVWHP-UHFFFAOYSA-N 372.635 4.371 0 40 FIAB CCOC(=O)c1sc2[nH]c(/C=C/c3sccc3C)nc(=O)c2c1C 6516476 DVUMTIQLNSXCOH-AATRIKPKSA-N 360.460 4.010 0 40 FIAB O=c1cc(CSCc2ccc(Cl)c(Cl)c2)nc2ccccn12 6651669 HRAXEMCXBLUVIA-UHFFFAOYSA-N 351.258 4.435 0 40 FIAB CCOCCCNc1nc(CN2CCCCC2)nc2sc3c(c12)CCC3 7001843 QCGRNLJWYDTGSM-UHFFFAOYSA-N 374.554 4.004 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)c2cccs2)cc1 7702383 MOUWOFPJNMJOAH-IBGZPJMESA-N 357.500 4.433 0 40 FIAB COC(=O)c1cc(COc2ccccc2C(=O)Nc2ccccc2)oc1C 7896137 AJSBEPURCCILAN-UHFFFAOYSA-N 365.385 4.206 0 40 FIAB CCOc1cc(CNC(C)(C)CO)ccc1OCc1ccccc1Cl 8254674 DGMDSWMBFQUBPQ-UHFFFAOYSA-N 363.885 4.178 0 40 FIAB O=C(CSc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1Cl 8642593 BKVMCMCMLUMCHW-UHFFFAOYSA-N 366.273 4.278 0 40 FIAB c1csc(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)c1 9227280 CPHOWOILRNUXIG-UHFFFAOYSA-N 352.488 4.384 0 40 FIAB Cc1cc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)c2ccccc2)no1 9500215 OVVXPORXIVXUNH-KRWDZBQOSA-N 370.792 4.173 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1 9757431 DTWGQURLWJYWCB-GFCCVEGCSA-N 359.376 4.321 0 40 FIAB c1ccc(C2(c3nn4c(-c5cccs5)nnc4s3)CCOCC2)cc1 12322311 CGQBCTUNTKVRIY-UHFFFAOYSA-N 368.487 4.011 0 40 FIAB Nc1c(C(=O)N2CCCCC2)sc(=S)n1-c1ccc(Cl)cc1 12415449 VVDSIPPIJNRJBM-UHFFFAOYSA-N 353.900 4.130 0 40 FIAB CC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 12601344 PBMVZPWXTCHPEO-QGZVFWFLSA-N 372.424 4.034 0 40 FIAB COc1ccc(-n2c(SCC(=O)NC(C)(C)C)nc3ccccc32)cc1 12604687 KBQWXEGVGKVTLV-UHFFFAOYSA-N 369.490 4.041 0 40 FIAB CCCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 12740483 IRARHSYDGZNSKJ-UHFFFAOYSA-N 360.479 4.233 0 40 FIAB COc1ccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cc1Cl 12755644 NZUFJYJLOIMHOS-CQSZACIVSA-N 361.825 4.159 0 40 FIAB COc1ccc(CC(=O)N[C@@H](CC(C)C)c2ccccc2)c(OC)c1OC 12822373 QUXPCBQAKFGUEW-SFHVURJKSA-N 371.477 4.159 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)NCCC1=CCCCC1 12893338 DBKJWYUHZCQEME-UHFFFAOYSA-N 365.521 4.354 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(F)c2c1C(=O)C[C@H]2C 12931371 JUCQZLQHRIQOHE-CHWSQXEVSA-N 371.408 4.239 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1C 13708533 ZQXKYGZLDVUGRG-OAHLLOKOSA-N 363.413 4.341 0 40 FIAB COc1cccc(OC)c1CN(CCc1ccccc1)Cc1ccncc1 13990024 UAVGEAUTYXTZGL-UHFFFAOYSA-N 362.473 4.344 0 40 FIAB CC(C)c1nnc(NC(=O)c2ccc(C3SCCS3)cc2)s1 14159545 KZTYMMAEGKFNIV-UHFFFAOYSA-N 351.522 4.392 0 40 FIAB Cc1ccc2c(CN(C)CCOc3ccc(F)cc3)cc(=O)oc2c1C 15101476 WPYDEDJCKFFFIN-UHFFFAOYSA-N 355.409 4.060 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 15746579 WTMDCHNWHQABOS-QABNGEJJSA-N 351.402 4.164 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)Nc1cccc2nsnc12 19095155 YYJAXLJVOTWQBA-UHFFFAOYSA-N 372.500 4.298 0 40 FIAB Cc1cc(-c2cnn(C)c2[C@@H]2CCCCN2C(=O)CC2CCCCC2)on1 19124389 RQMAMMJPZRGVLQ-SFHVURJKSA-N 370.497 4.408 0 40 FIAB O=C(Nc1ccccc1OCc1ccccn1)[C@@H]1CCN1C1CCCCC1 19660110 YADYIDRUQOHUHM-FQEVSTJZSA-N 365.477 4.006 0 40 FIAB CC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 21596460 OAVOIBZNTKSHKO-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)o1 21840535 YXBFGRPVGXNGDO-OLDBXAEKSA-N 350.418 4.182 0 40 FIAB CC(=O)NCc1ccc(-c2csc(NCCc3cccs3)n2)s1 21891699 DDLWPQYUKHRRAV-UHFFFAOYSA-N 363.533 4.224 0 40 FIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC 22513695 SMOMFZAMQPQYIV-QGZVFWFLSA-N 371.477 4.055 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1cccs1)N(C)C 23105508 AEBGUGDERPLZSQ-QGZVFWFLSA-N 368.502 4.333 0 40 FIAB CN(C)[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccsc1 25330041 DQKSKQFLCPFATM-OAHLLOKOSA-N 357.306 4.017 0 40 FIAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(-c2ccc(F)cc2)o1 31314668 NMICHIRXDQAYSJ-UHFFFAOYSA-N 365.408 4.011 0 40 FIAB Cc1ccc(CSCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462887 NBFHLQXNQKRLID-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB C[C@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)NCc1ccccc1 32666459 ZGGZTAHLELBNGA-KRWDZBQOSA-N 374.440 4.292 0 40 FIAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)cc1 32843098 VYZQLPGQLLNUMB-JOCHJYFZSA-N 358.441 4.438 0 40 FIAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S 35041401 DJGHCEWGIDTVEY-XDPMZMSMSA-N 363.504 4.094 0 40 FIAB COc1ccc2c(c1)c1nnc(SCc3ccccc3Cl)nc1n2C 35313338 WHYXFRYYWCJPLQ-UHFFFAOYSA-N 370.865 4.471 0 40 FIAB Cc1ccccc1[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 36620798 XTMROWRAHYKDOL-NRFANRHFSA-N 355.503 4.400 0 40 FIAB Cc1sc2ncnc(OCC(=O)Nc3ccc(F)cc3Cl)c2c1C 39562361 VARMTLUCNBBXMV-UHFFFAOYSA-N 365.817 4.118 0 40 FIAB O=C(NCCSc1ccccc1)c1ccc(-n2cc[nH]c2=S)cc1 40119557 PGJSYLYKBZAZLM-UHFFFAOYSA-N 355.488 4.057 0 40 FIAB O=C(COCC(F)(F)F)N[C@@H](c1ccccc1)c1cc2ccccc2o1 40132137 VONFGTWGNBSPHC-SFHVURJKSA-N 363.335 4.217 0 40 FIAB COc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1OCCC(C)C 40159863 UEFQHNQDNQVSSL-ZIAGYGMSSA-N 369.889 4.023 0 40 FIAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc2c(s1)CCCCCC2 43271165 XPAQVMIQUTUOOB-INIZCTEOSA-N 359.495 4.035 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(N2CCCC2=O)c1 44523632 LSOJPITYASATFP-AWEZNQCLSA-N 372.465 4.213 0 40 FIAB Cc1cc(C)c(NC(=O)N[C@@H](c2ccccc2F)c2nccn2C)c(C)c1 54007905 QZDIPRVRFRUSCJ-IBGZPJMESA-N 366.440 4.396 0 40 FIAB O=C(COC1CCCC1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979578 HCXNZEUTPCQFNK-UHFFFAOYSA-N 362.813 4.083 0 40 FIAB CCCCN1CCCC[C@@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 58169400 CGADNZHJVCBUFX-LJQANCHMSA-N 371.550 4.123 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccn(CCc2ccccn2)n1 58421308 GZKXJKLUYSAUFE-UHFFFAOYSA-N 364.493 4.066 0 40 FIAB CN(Cc1cscn1)C(=O)c1ccc(C2SCCCS2)cc1 58428173 FTAWNBQGGBIPMW-UHFFFAOYSA-N 350.534 4.284 0 40 FIAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cc2c(s1)CCCCC2 65488032 VDCLGXAGMPSLAG-UHFFFAOYSA-N 351.475 4.133 0 40 FIAB CCOc1ncccc1CNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 65623013 HKONUNFJQYPIKE-UHFFFAOYSA-N 361.854 4.120 0 40 FIAB Cc1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c(C)n1C(C)C 70831230 LOPXLYUKCOYJTL-KRWDZBQOSA-N 368.399 4.168 0 40 FIAB Cn1ccc2c(NC(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)cccc21 71281976 MSHSCSYWNMTKHD-UHFFFAOYSA-N 358.323 4.326 0 40 FIAB CC(=O)NC(C)(C)c1noc(-c2sc(-c3ccc(C)cc3C)nc2C)n1 71905147 XNYKYEXWMINNPH-UHFFFAOYSA-N 370.478 4.157 0 40 FIAB CCSC[C@@H](C)N(C)Cc1ccc(OC)c(OC)c1Br 72305345 GGMRMVREFXBFES-LLVKDONJSA-N 362.333 4.040 0 40 FIAB CCc1nnc(Nc2cccc([C@@H]3CCCN(CC(C)(C)C)C3)n2)s1 72375969 KIZFQBRCJIJIHK-CQSZACIVSA-N 359.543 4.465 0 40 FIAB CSc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80345038 JRCYBLMRZDUDED-VHSXEESVSA-N 360.291 4.309 0 40 FIAB O=S(=O)(CCCNc1ccnc2cc(Cl)ccc12)c1ccccc1 84558649 BHSBEFKAZIHMEQ-UHFFFAOYSA-N 360.866 4.164 0 40 FIAB O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1cnn(-c2ccccc2F)c1 89821315 MWZCSMURFARLHU-AZUAARDMSA-N 371.456 4.012 0 40 FIAB OC1(c2cc3ccccc3nc2Cl)CCN(Cc2ccccc2)CC1 90495478 ACOQCRWPQYUNSU-UHFFFAOYSA-N 352.865 4.372 0 40 FIAB CC[C@@H](C(=O)N1CCC(Oc2ncccc2Cl)CC1)c1ccccc1 96024812 IPJUYLOBZSUSDM-QGZVFWFLSA-N 358.869 4.299 0 40 FIAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261338 UGKPWKATCCPBNR-XZOQPEGZSA-N 374.484 4.420 0 40 FIAB C[C@H](NC(=O)c1ccc(OCc2cccnc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 105717786 YRZNUHQVFWQOSY-ZFDALGJYSA-N 350.462 4.215 0 40 FIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C 118927228 WACIVNIHJKQSFP-RIWGUVNYSA-N 350.474 4.478 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)C1(c2ccccc2)CCOCC1 171917482 RCYMVWFXDZHALU-UHFFFAOYSA-N 367.489 4.053 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1F 216288478 YXNYIVUXLOJQLP-OAHLLOKOSA-N 361.482 4.205 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)cc3OC)N21 222646276 YTHBGVFCAFESIK-ZNZDAUKMSA-N 369.490 4.078 0 40 FIAB COc1ccc(CSCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223155402 RHIKOOODSDGLPR-OAHLLOKOSA-N 355.503 4.295 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C 224161490 JDHCJCGWSNZIIJ-VQTJNVASSA-N 362.502 4.214 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1Cl 224451053 YIIVOIDTEYMEMI-SFHVURJKSA-N 361.869 4.309 0 40 FIAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COCC(C)C 224451888 NHXADWPXCHHDDL-UHFFFAOYSA-N 355.434 4.323 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 224623234 RYCVACGATBZTSK-IBGZPJMESA-N 361.869 4.255 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1CN1CCCC1 224791556 QGGWKMGDCBGERY-QFIPXVFZSA-N 366.505 4.065 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(Cl)cc1 225111003 QTSWQFKXDXYHMB-OAHLLOKOSA-N 373.880 4.181 0 40 FIAB COc1cc(C)c(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C(C)C 225136832 GQTAKXZUKWXETL-INIZCTEOSA-N 361.507 4.209 0 40 FIAB CC(=O)N1Cc2ccccc2OC2(CCC(NCC3CCCCC3)CC2)C1 257256391 KLHDYUWLDPBKAJ-UHFFFAOYSA-N 370.537 4.279 0 40 FIAB O=C(Cn1ccc2ccccc21)NCc1nc(C2CCCCC2)cs1 390831783 UXKGHDAPPHIOFU-UHFFFAOYSA-N 353.491 4.462 0 40 FIAB CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OC)C1=O 409060355 QPOJKDIDMBXSSX-LCYFTJDESA-N 370.268 4.294 0 40 FIAB Cc1nc(-c2cccc(-c3noc([C@H]4C[C@]45CCc4ccccc45)n3)c2)n[nH]1 546465388 FGADILSTPYGGRL-GCJKJVERSA-N 369.428 4.202 0 40 FIAB CCC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585263052 XLNBCMPKVXTGMU-AWEZNQCLSA-N 368.868 4.166 0 40 FIAB O[C@@H]1[C@@H](NCc2cc(F)cc(F)c2)CCC[C@H]1Oc1cccc(Cl)c1 585290656 ZNNSWWDQPCWDFM-IPMKNSEASA-N 367.823 4.069 0 40 FIAB Cc1ccc(-c2csc3ncnc(NCc4ccc(C(N)=O)cc4)c23)cc1 641935282 UTUWFYOAFNOFFS-UHFFFAOYSA-N 374.469 4.378 0 40 FIAB c1cc(-c2ncco2)cc(-c2nnc(Nc3ccc4n[nH]cc4c3)s2)c1 1569989231 WFSHRQCWPPIEIB-UHFFFAOYSA-N 360.402 4.480 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1c(Cl)cccc1Cl 10677425 DOVPPKXWMYDCDC-HNNXBMFYSA-N 356.274 4.423 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)NC1CC(C)(C)NC(C)(C)C1 10818279 CIVYPHMVYFMNHI-UHFFFAOYSA-N 357.523 4.158 0 40 FIAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)COc1ccccc1 1329979 LUGWAAKNJJLROK-UHFFFAOYSA-N 366.442 4.326 0 40 FIAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(C)=O)cc2c1 1359356 PCGGFHOLHIHLOB-UHFFFAOYSA-N 368.864 4.293 0 40 FIAB COc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3CC(C)C)c1 1369514 LBKAFRCZEKPWHV-QZTJIDSGSA-N 361.555 4.023 0 40 FIAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 1377645 NKEZYVHBLJLVIU-FGZHOGPDSA-N 366.480 4.450 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCCSc1ccccc1 31354943 SKQWHTBWWBEJJD-UHFFFAOYSA-N 367.514 4.437 0 40 FIAB Cc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100892726 DASPKCPJGTXYQP-QGZVFWFLSA-N 367.250 4.405 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(N2CCCC2=O)c1 6987617 OUQXXKLMYMBNCH-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB Cc1cc(NC(=O)CCC(=O)c2ccc(F)cc2)ccc1Br 8034407 DYFOSMDESGPUEO-UHFFFAOYSA-N 364.214 4.498 0 40 FIAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1 8475637 SNGGOBHKZDJNMZ-UHFFFAOYSA-N 367.836 4.395 0 40 FIAB Cc1ccccc1Cn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667287 JCOONCVBCOSJNV-MRXNPFEDSA-N 359.429 4.477 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)N1CCC(c2ccc(O)cc2)CC1 32891540 ZLIBHZKRIBJPMZ-QGZVFWFLSA-N 352.478 4.303 0 40 FIAB Cc1ccc(-n2ccnc2S[C@@H](C(=O)N(C)C)c2ccccc2)c(C)c1 9338251 QUBPLGAWYWGRTG-LJQANCHMSA-N 365.502 4.411 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 103580108 QSGYQOGAAHSIDX-GOSISDBHSA-N 357.360 4.052 0 40 FIAB CC(C)CCOc1ccc(C(=O)[C@@H](c2ccccc2)N2CCOCC2)cc1 26532595 LDPNGDKPVIUPAM-JOCHJYFZSA-N 367.489 4.368 0 40 FIAB CSc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 12038146 PSTKGVFRNUEPSI-UHFFFAOYSA-N 368.502 4.208 0 40 FIAB Cc1cc(C)n(C[C@H](C)C(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)n1 100166817 HFTQNSKJEYXYGC-LVXYXVKQSA-N 369.484 4.212 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1 18080780 CQETUXMQSPIKDC-UHFFFAOYSA-N 368.433 4.412 0 40 FIAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cc(Cl)c(O)c(Cl)c1 100189339 WXFQZDQSMMTOJS-ZBEGNZNMSA-N 350.249 4.059 0 40 FIAB CCc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccccc3C)n2)cc1 23393764 HJOHFFSIBHMKSQ-MRXNPFEDSA-N 363.461 4.417 0 40 FIAB COC(=O)C1(NC(=O)CCc2ccc(-c3ccccc3F)o2)CCCCC1 25175218 MINXBGQAJCKMMR-UHFFFAOYSA-N 373.424 4.010 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 12532230 GEYDLUQNJSXMBP-JKSUJKDBSA-N 365.502 4.450 0 40 FIAB CN(Cc1c(F)cccc1Cl)Cn1nc2n(c1=S)CCCCC2 57395312 VVINDONPWHXDHB-UHFFFAOYSA-N 354.882 4.022 0 40 FIAB CCN(CC)c1ccc(NC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)cn1 58031224 YTLBGFRGWOSGSB-FQEVSTJZSA-N 368.481 4.209 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 12768139 FQHOFCFRNMARMZ-INIZCTEOSA-N 365.473 4.414 0 40 FIAB COc1ccc(OCCS[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 12876014 KKSKPOUYRUFANU-HNNXBMFYSA-N 371.502 4.323 0 40 FIAB Fc1ccc([C@@H](NCc2nnc(-c3ccco3)o2)c2cccs2)cc1 12803363 LFXVQYZYGLMGIL-QGZVFWFLSA-N 355.394 4.409 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 3419924 ZSIJVZCIGVHLMU-QHCPKHFHSA-N 374.484 4.298 0 40 FIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cnc2ccccc2c1 62580020 DCRVUESDTYDUHZ-NRFANRHFSA-N 360.461 4.193 0 40 FIAB CCCCn1c(S[C@@H](C)c2nc(CCC)no2)nc2ccccc2c1=O 12910580 XQMKXMRHNYKYIZ-ZDUSSCGKSA-N 372.494 4.385 0 40 FIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1COc2ccccc2C1 12920208 WTINKNARIXCGAN-ZDUSSCGKSA-N 372.396 4.278 0 40 FIAB O=S(=O)(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCCCC1 7814455 DBMSHHLVQZRRKX-UHFFFAOYSA-N 359.535 4.329 0 40 FIAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NC3CCCCC3)c(C)c12 4089972 UXMBEKFGZYFISN-UHFFFAOYSA-N 367.445 4.456 0 40 FIAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)N(C1CCCCC1)C1CCCCC1 5149195 NQWJDPDEKPTPIN-SFHVURJKSA-N 352.519 4.251 0 40 FIAB COc1ccc2[nH]c(C(=O)Nc3ccc(Br)cc3F)cc2c1 13858077 RJVBPCMTGBNJCO-UHFFFAOYSA-N 363.186 4.330 0 40 FIAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 5272367 DZQWGLDYIOCSLT-XSXQVXRUSA-N 359.510 4.407 0 40 FIAB O=C(Nc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccc(Cl)cc1 5377650 GRAYJAOVHFECHJ-QGOAFFKASA-N 366.804 4.343 0 40 FIAB CCCC[C@@H](C)Cn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 4549894 JZFZPWHNNHTUGO-GFCCVEGCSA-N 366.918 4.002 0 40 FIAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@@H](C)C2 8249688 RQONVEWWLVDWCZ-CQSZACIVSA-N 370.518 4.146 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(OC(F)F)cc1 14241706 WNXNUKFQHHGBFZ-SFHVURJKSA-N 372.371 4.191 0 40 FIAB CCCCCC[C@@H](C)NC(=O)c1ccccc1I 4690795 AXUGQKVADCFRMS-GFCCVEGCSA-N 359.251 4.380 0 40 FIAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N3CCCC3)s2)c(C)c1 5889193 GFQADQBVFDEQBB-ZDUSSCGKSA-N 362.524 4.002 0 40 FIAB Cc1cc(C)n(-c2nc3cc(C(=O)c4ccccc4)ccc3nc2Cl)n1 4927814 FGROMFBXXNVHNY-UHFFFAOYSA-N 362.820 4.317 0 40 FIAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=S)N1CCCC1 19797190 SVNHDSZLHCSPMU-UHFFFAOYSA-N 360.504 4.384 0 40 FIAB Cc1c([C@H](C)NC(=O)Nc2cccc(COC3CCCCC3)c2)cnn1C 84044758 ARFQIMFUILCLBV-HNNXBMFYSA-N 370.497 4.461 0 40 FIAB Cc1cc(NCc2cn(C)nc2-c2cccnc2)ccc1Br 95373454 UVRUOTGDUOIAGB-UHFFFAOYSA-N 357.255 4.165 0 40 FIAB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2)cc1 408844562 UIBCQYFFSWWUIC-LTGZKZEYSA-N 369.424 4.315 0 40 FIAB O=C(CCSc1ccccc1)NCC1(c2cccs2)CCOCC1 38940106 UYPHGFWDCCNLDN-UHFFFAOYSA-N 361.532 4.095 0 40 FIAB O=C(COc1ccccc1-c1noc(-c2ccco2)n1)Nc1ccccc1 33324947 KLBJMNJGPTXMHH-UHFFFAOYSA-N 361.357 4.014 0 40 FIAB Cc1ccc(C(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)s1 32609898 BSTBIBDPMOQCDU-UHFFFAOYSA-N 365.817 4.334 0 40 FIAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)ccc1O 39857519 HYVNVWSYYDDEMR-BOPFTXTBSA-N 371.414 4.040 0 40 FIAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39752537 RXDQNIYAUDPUSL-UHFFFAOYSA-N 370.880 4.393 0 40 FIAB Cc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(F)cc34)C[C@@H]2C)c1 35889543 GRIPJIGHSWFUTO-INIZCTEOSA-N 365.452 4.009 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 218968726 NJNSSJRGGQSHNN-GOSISDBHSA-N 353.462 4.409 0 40 FIAB Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2F)cc1Cl 224186397 PRYOHPZALWWWPS-UHFFFAOYSA-N 356.224 4.179 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc1C 225723852 DWQZFLLNPPBWPP-ZDUSSCGKSA-N 365.524 4.309 0 40 FIAB Cc1cc(S(=O)(=O)NCCCc2cccc3ccccc23)ccc1F 225610230 FUUPPCUEGBFHPQ-UHFFFAOYSA-N 357.450 4.198 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)NCc3ccccc3Cl)o2)c1 224843260 HIAVKPYMDKWKKI-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)CCc3ccccc3)cc2)n1 225290467 NUIDLYBWUGFRJO-KRWDZBQOSA-N 361.489 4.299 0 40 FIAB CC1CCN(C(=O)c2cnn3c(-c4ccc(C(C)C)cc4)ccnc23)CC1 44169064 SIASWTFNZNLAGB-UHFFFAOYSA-N 362.477 4.392 0 40 FIAB CC(C)(C)c1ccccc1OCCNC(=O)CCCOc1ccccc1 223699623 XUDHODWWLLWIMZ-UHFFFAOYSA-N 355.478 4.338 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 224634951 GITAYVKRTRSUTM-UHFFFAOYSA-N 366.461 4.010 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225204426 GUPLWVJFCHOFPQ-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB Cc1ccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c(C)c1 224259372 LYFHOTDIOQGUHF-UHFFFAOYSA-N 361.869 4.148 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cn2c3c(cccc3c1=O)CC2 223092613 NKPULELIPFWOCP-UHFFFAOYSA-N 359.212 4.117 0 40 FIAB CCc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 225849576 INEKHCKRXXVQBQ-ZQHYZAEZSA-N 369.461 4.165 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225787566 LGWNRLJQELKFCF-OAHLLOKOSA-N 374.506 4.236 0 40 FIAB CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(OC)cc1 225487830 KIAPCCRSWWVTKU-KRWDZBQOSA-N 372.490 4.228 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1snnc1-c1ccc(F)cc1 225781575 GLHVYMJEHFKLPA-CYBMUJFWSA-N 355.438 4.095 0 40 FIAB c1ccc(-c2ccc3nc(C4CCN(Cc5cccnc5)CC4)nn3c2)cc1 96155753 PZCAGRFEWHMRLD-UHFFFAOYSA-N 369.472 4.171 0 40 FIAB Cc1cc(Cc2cc(C)c(NC=O)c(Cl)c2)cc(Cl)c1NC=O 255190506 XQDICTARGDLSNG-UHFFFAOYSA-N 351.233 4.338 0 40 FIAB Cc1ccccc1Nc1scnc1C(=O)NC[C@H](C)c1ccncc1 1642246922 DXGAMQQJEWNRJU-AWEZNQCLSA-N 352.463 4.124 0 40 FIAB O=C(c1ccc2c(O)ncnc2c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 640130476 FESRZKBROZHZKZ-DSKINZAPSA-N 373.456 4.134 0 40 FIAB OCCc1ccc(CNc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1 1187841333 KIAAUGCVHOBZER-UHFFFAOYSA-N 364.232 4.190 0 40 FIAB Cc1cc(NC(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c2ncccc2c1 569694927 SEQZJPMYAFPCIG-IBGZPJMESA-N 353.466 4.212 0 40 FIAB Cc1cccnc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615119139 HUOVGXLUEDSVJH-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(C(F)(F)F)c1 5549466 BVXAOKPYPIWALH-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB COc1cccc2cc(-c3csc(Nc4ccccc4O)n3)c(=O)oc12 11565679 OOLNPIWVKIRGER-UHFFFAOYSA-N 366.398 4.374 0 40 FIAB CC[C@@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 12239767 IKOCHHCVEWMIMI-SFHVURJKSA-N 371.550 4.042 0 40 FIAB CC(C)c1ncc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)cn1 19454094 QXLJRRPZQZMCPY-UHFFFAOYSA-N 367.428 4.029 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2C)cc1C 19647639 VMCZRFNNDWZMJH-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB Cc1ccccc1-n1nc(C)c(-c2cncn2CCCC(C)(C)CO)c1C 19719674 VPYXRNCYUAMBHI-UHFFFAOYSA-N 366.509 4.460 0 40 FIAB O=C(NC(=S)Nc1ccccc1Cl)c1cc(Cl)nc(Cl)c1 2383364 JHZYJBLIQKIJPQ-UHFFFAOYSA-N 360.653 4.169 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(F)cn2)CN1c1ccc(F)cc1 2037988597 ZUPOSHWAZKBIIO-OAQYLSRUSA-N 371.431 4.024 0 40 FIAB COc1ccc(C(=O)Oc2cccc(C(=S)N3CCCCC3)c2)cc1 885692 YFYVPMTXJCORGT-UHFFFAOYSA-N 355.459 4.076 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1 4167281 UBEFEDIVQFCBMU-UHFFFAOYSA-N 369.471 4.139 0 40 FIAB O=C(CSc1nc2ccccc2o1)OCc1cc(-c2cccs2)on1 7773616 BVLYKLKQGZOPMX-UHFFFAOYSA-N 372.427 4.380 0 40 FIAB CCc1ccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)cc1 9573809 YFJOBZNKLHEWLA-UHFFFAOYSA-N 360.417 4.201 0 40 FIAB COc1ccccc1[C@H]1C2=C(N=C3SCC(=O)N31)c1ccccc1CC2 1411887 HIULRVKUSDLFNR-FQEVSTJZSA-N 362.454 4.039 0 40 FIAB aggregator CCCc1nc2sc3c(NCCN(C)C)ncnc3c2c2c1CCCC2 1819101 RIWLQOXLEVQYAF-UHFFFAOYSA-N 369.538 4.044 0 40 FIAB CCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2448593 CCUPISMJXCTAMC-UHFFFAOYSA-N 360.417 4.031 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 2662156 UWTRDPBLLBVTKH-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 3304165 HTBQDTGPWILDGT-QFIPXVFZSA-N 361.489 4.079 0 40 FIAB Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1 3655955 ZHPGZABDDIMAKH-UHFFFAOYSA-N 358.397 4.412 0 40 FIAB CSc1nnc(CNC(=O)c2cccc3ccccc23)n1-c1ccccc1 4059358 BESRJHFBPWRCBN-UHFFFAOYSA-N 374.469 4.072 0 40 FIAB CCCc1cc(O)nc2nnc(SCc3cccc4ccccc34)n12 4250256 HTIPCXMPGWPBFV-UHFFFAOYSA-N 350.447 4.228 0 40 FIAB Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc2c1 4921872 LIQHAYUELMDDMK-UHFFFAOYSA-N 359.385 4.488 0 40 FIAB Cc1occc1-c1nnc2sc(-c3ccccc3Br)nn12 4938879 GTVCMAPLUHWUED-UHFFFAOYSA-N 361.224 4.184 0 40 FIAB Cc1nnc(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)s1 5054074 WFQIDPZSJNZPFJ-SECBINFHSA-N 362.505 4.089 0 40 FIAB COc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 5167575 YVZPFPIZXCALET-UHFFFAOYSA-N 366.421 4.231 0 40 FIAB CC[C@H](CO)Nc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 5485585 XEORBHXLORFXSB-LLVKDONJSA-N 356.495 4.034 0 40 FIAB COCCCn1c(=S)[nH]c2scc(-c3ccccc3Cl)c2c1=O 5925458 YGBKECVJWSCUQK-UHFFFAOYSA-N 366.895 4.477 0 40 FIAB Cc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)c2ccc(C)c(C)c2)c1 6098760 LNHDAGFUJXMOKJ-INIZCTEOSA-N 366.490 4.259 0 40 FIAB Fc1ccccc1-n1cnnc1SCc1coc(-c2cccs2)n1 6129136 LAUIIPBKLAERJC-UHFFFAOYSA-N 358.423 4.415 0 40 FIAB CCCCOC(=O)c1ccc(N[C@@H]2Sc3ccccc3NC2=O)cc1 6831238 SYMFUMJEOYPZOW-GOSISDBHSA-N 356.447 4.126 0 40 FIAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccsc1 7250688 FFJGZMMDCZNURF-UHFFFAOYSA-N 357.523 4.199 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(F)cc2)c2ccccc2)cc1 7307146 HCKMMBOITGUCKL-FQEVSTJZSA-N 355.434 4.202 0 40 FIAB CC(=O)c1ccc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)s1 7436312 RUPNPZIFKLBNFW-UHFFFAOYSA-N 367.474 4.025 0 40 FIAB Cc1ccc2cc(CN(C(=O)c3ccco3)c3ccccc3)c(=O)[nH]c2c1 8762707 GVLPPLYACLUDJH-UHFFFAOYSA-N 358.397 4.277 0 40 FIAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4cc(C)on4)sc32)cc1 8853279 QBXWANKZIHIVOX-UHFFFAOYSA-N 366.446 4.312 0 40 FIAB O=S(=O)(Nc1nc2c(Cl)cccc2s1)c1ccc(Cl)s1 8864763 NTNZBJOOZZOWBM-UHFFFAOYSA-N 365.288 4.465 0 40 FIAB Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccco2)ccc1Cl 9204690 HEEHWJDSRKSGQG-UHFFFAOYSA-N 359.809 4.442 0 40 FIAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(F)c(F)c1F 11370779 NKTAABPMJXFCBN-UHFFFAOYSA-N 364.298 4.469 0 40 FIAB CCOC(=O)c1cnc(SC)nc1Nc1ccc(N2CCCCC2)cc1 11907844 KVJBKJPCZJMMSU-UHFFFAOYSA-N 372.494 4.109 0 40 FIAB C[C@@H](C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1 12220881 ALLHXSNQHKKSSI-DYESRHJHSA-N 359.473 4.229 0 40 FIAB Fc1cccc(-c2cnc(-c3ccncc3)c(CNC[C@H]3CCCO3)c2)c1 12337340 WZKFVRVBQPRUEX-OAQYLSRUSA-N 363.436 4.218 0 40 FIAB c1ccc(CCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 12389193 SIJMGUJJPYEHCV-UHFFFAOYSA-N 357.442 4.186 0 40 FIAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCC2)cc1C 12437932 PGRQFTQJZAQADN-UHFFFAOYSA-N 366.486 4.285 0 40 FIAB O=C(Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1)c1cnccn1 12779344 XCJHIWHROMKRCZ-UHFFFAOYSA-N 365.245 4.083 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC[C@H]2CCCC[C@H]21 12977646 HGLFRRFOBPATBB-WIYYLYMNSA-N 374.488 4.274 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 14022786 VFMANOPIUITVBF-FQEVSTJZSA-N 366.461 4.027 0 40 FIAB Cc1cccc2s/c(=N\S(=O)(=O)c3ccc(C(C)(C)C)cc3)[nH]c12 14229777 RWFJWSWQTSKHDB-UHFFFAOYSA-N 360.504 4.125 0 40 FIAB O=C(NCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 14598395 POOWFMLGEFDRIL-YJBOKZPZSA-N 362.901 4.031 0 40 FIAB CCOC(=O)Cc1ccc(NCCC(=O)c2cc3ccccc3o2)cc1 15083465 KLCBXBZYXAXZTH-UHFFFAOYSA-N 351.402 4.223 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccccc3F)nn12 15107804 WXBXPFLBKSBFLC-UHFFFAOYSA-N 360.801 4.321 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2NC1=O 15439691 QVTSPPNPVJGUTK-NSHDSACASA-N 360.866 4.045 0 40 FIAB c1cncc(-c2nnc(C3CCN(Cc4ccc5ccccc5n4)CC3)o2)c1 19376321 LDSDKOKAAIXMHM-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB CCCC(=O)N1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 19501277 MGVQXWXWCADOGK-NSHDSACASA-N 355.360 4.056 0 40 FIAB Cc1ccc(C2(C(=O)N3CCc4[nH]c5ccccc5c4C3)CCOCC2)cc1 19657429 OJCXEUCQRQKYQY-UHFFFAOYSA-N 374.484 4.109 0 40 FIAB CCOc1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC 20459481 XRHHPLUCOHWTAD-UHFFFAOYSA-N 370.449 4.014 0 40 FIAB CN(Cc1ccccc1Cl)C(=O)CCc1nc(-c2cccs2)no1 21598424 OBJPLUVUUATKKI-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB Cc1ccc(-c2nc3c4c(C)c(C)n(-c5cc(C)ccn5)c4ncn3n2)cc1 21801625 KWDDQUDPCAKPIH-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB C[C@H]1CCCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccccc23)C1 22573693 XOVBKZBVGWRUQU-INIZCTEOSA-N 366.486 4.304 0 40 FIAB FC(F)Oc1ccc2ccccc2c1CNCc1ccc2c(c1)OCO2 22770236 GOZVADUQGHRCDV-UHFFFAOYSA-N 357.356 4.460 0 40 FIAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2cccc(Cl)c2)no1 23074866 NITUIKCZODGXNH-GFCCVEGCSA-N 371.824 4.101 0 40 FIAB CC(C)n1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 31903684 TUKBAUMFORHZFY-INIZCTEOSA-N 351.425 4.272 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3ccccc3)CC2=O)c1C 32883769 SYTWENXRDGMSDB-PZJWPPBQSA-N 362.473 4.020 0 40 FIAB COc1cc(OC)c(NC(=O)NCCCOC2CCCCC2)cc1Cl 40024034 FBOITKVIEBBRNZ-UHFFFAOYSA-N 370.877 4.218 0 40 FIAB CCn1c(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)nc2ccccc21 40115964 CPZDJHYZNOGVIL-UHFFFAOYSA-N 365.433 4.365 0 40 FIAB O=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/c3cccc(Cl)c3)c12 40388487 OBSWXQLFVNTAPO-BQYQJAHWSA-N 366.852 4.132 0 40 FIAB C[C@H](NC(=O)NCc1ccnc(N(C)C)c1)c1ccc(Cl)c(Cl)c1 47612141 WBBKTXKUGOYQRP-NSHDSACASA-N 367.280 4.015 0 40 FIAB CCCCOc1ccc(CNCc2c(C)nc3sc(C)cn23)cc1OC 48260458 DKCNBCWZRLUNCQ-UHFFFAOYSA-N 373.522 4.490 0 40 FIAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)nn12 57315982 GECBIKNVNYJZRQ-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB CC(C)c1noc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)n1 58195090 AJMWJMCRHXUPBA-UHFFFAOYSA-N 362.433 4.008 0 40 FIAB Cc1cccn2c(=O)cc(CNc3ccc4nc(C5CC5)sc4c3)nc12 63890361 RJZXITKJRRBCFK-UHFFFAOYSA-N 362.458 4.102 0 40 FIAB COc1ccc(N(C(=O)c2cc(C)nc3onc(C)c23)[C@H](C)C2CC2)cc1 65475641 UJLHHWZEKJXRLS-CQSZACIVSA-N 365.433 4.294 0 40 FIAB Cc1ccn2cc(C(=O)Nc3ncc(Cc4ccccc4F)s3)nc2c1 65575769 HPMJNLMWMJFIEQ-UHFFFAOYSA-N 366.421 4.081 0 40 FIAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)cc1 67293190 IAMAUDKQJHVKCU-GYHWCHFESA-N 371.396 4.327 0 40 FIAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1nc2ccccc2s1 70640832 ZVLHOHILFUERQC-UHFFFAOYSA-N 365.380 4.390 0 40 FIAB Cc1cc(C)n(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 75154721 XKXKPCBNQOYLBT-UHFFFAOYSA-N 351.416 4.431 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@H](c1cccc(F)c1F)SCC(O)=N2 79484215 ALJMCFDJMLKESS-KRWDZBQOSA-N 372.400 4.278 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1cccc(OCc3cccnc3)c1)SCC(O)=N2 79493342 PZHXBFIPIWYLSB-GOSISDBHSA-N 366.446 4.116 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1Cl 96308983 YFLSECCLYHQSDQ-CYBMUJFWSA-N 369.635 4.391 0 40 FIAB CCCCc1ccc(N2C[C@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1 96590211 UPHMSALNQFYCIN-MRXNPFEDSA-N 354.425 4.160 0 40 FIAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222837176 VIFHLHLWKBUOSN-OAHLLOKOSA-N 352.906 4.020 0 40 FIAB Cc1cc(NC(=S)NCCCc2ccccc2)ccc1N1CCCC1=O 225385904 NLOBCDRFTKHALJ-UHFFFAOYSA-N 367.518 4.041 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 225398497 DYJUJOBQKUYGEU-QGZVFWFLSA-N 367.445 4.270 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)cc1 226331338 HRNAIMGUFRYHIM-HUUCEWRRSA-N 367.493 4.320 0 40 FIAB CCOC(=O)c1cn2cc(-c3cccc(Br)c3)sc2n1 228970689 JLHNHBJFEDEKFH-UHFFFAOYSA-N 351.225 4.002 0 40 FIAB Cc1cncc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257213835 CJGKZQBZGMVGNK-JOCHJYFZSA-N 373.456 4.487 0 40 FIAB Cc1nc(NC(=O)C2CCN(C(C)C)CC2)sc1Cc1ccccc1 673642669 CBMKKSITRVDSBI-UHFFFAOYSA-N 357.523 4.101 0 40 FIAB Cc1noc2ncnc(N3CCC[C@]3(C)c3ccc(C(F)(F)F)cc3)c12 1187334607 ZYHNNEZYVMJBQG-QGZVFWFLSA-N 362.355 4.461 0 40 FIAB COc1cc(OC)c([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OC 708317 BAGNWWMEJYLNAR-MRXNPFEDSA-N 363.413 4.340 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2c(C)c(C)sc2n1 784676 AHLJTESQSGDRFD-UHFFFAOYSA-N 361.467 4.486 0 40 FIAB CCNC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 874705 ZUOKLFSJDSBLKO-UHFFFAOYSA-N 371.550 4.174 0 40 FIAB CCOc1ccc2cc3c(N)c(C(=O)N4CCC[C@@H](C)C4)sc3nc2c1 891625 WJZKOMWVIGGQGP-GFCCVEGCSA-N 369.490 4.303 0 40 FIAB COc1cc(-c2nn3cc(-c4ccccc4)nc3s2)cc(OC)c1OC 1036526 FJKQSGSTGKTSGM-UHFFFAOYSA-N 367.430 4.151 0 40 FIAB CCOc1ccc([C@@H]2OC(=O)Cc3cc(OCC)c(OCC)cc32)cc1 1293554 BPHLGCOZBZELGJ-NRFANRHFSA-N 356.418 4.071 0 40 FIAB biogenic O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1F 1385905 VWCMEDNSRSAXSO-FQEVSTJZSA-N 359.404 4.416 0 40 FIAB CS(=O)(=O)c1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 1397871 LWJZMUTWCDBUCM-UHFFFAOYSA-N 369.229 4.114 0 40 FIAB O=C1OC(c2cccc(Br)c2)=N/C1=C\C=C\c1ccccc1 1510659 DEHPLGRKYOHZPD-MAHQCVNESA-N 354.203 4.350 0 40 FIAB COc1cc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)cc(OC)c1OC 2348967 YHCUWVNRGHEKFA-FQEVSTJZSA-N 373.474 4.108 0 40 FIAB COc1cc2ccccc2cc1C(=O)/N=c1\[nH]c2ccc(F)cc2s1 2383651 HCMZPJYFHZVTIE-UHFFFAOYSA-N 352.390 4.271 0 40 FIAB Cc1c(/C=C2/N=C(c3ccccc3)OC2=O)c(Cl)nn1-c1ccccc1 2779771 DIDJUQIJXNHRPJ-SFQUDFHCSA-N 363.804 4.179 0 40 FIAB Cc1ccc(CC(=O)NCCSc2ccc(Br)cc2)cc1 3105113 JSUISRCVPUDGDY-UHFFFAOYSA-N 364.308 4.209 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1Br 3152957 VZXHEYGTLQFKMH-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB O=C1NC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1Cl 3184419 NIKOUSLRSLCJBP-ZROIWOOFSA-N 361.626 4.020 0 40 FIAB O=C(OCc1ccc(Br)cc1)c1ccc(Br)o1 3240921 BPWNLHOMVXFXIJ-UHFFFAOYSA-N 360.001 4.162 0 40 FIAB CCOc1ccccc1OCC(=O)NCc1ccc(Cl)cc1Cl 3609079 GRZKITUQMQBVEB-UHFFFAOYSA-N 354.233 4.087 0 40 FIAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(C)cc3)sc1CC2 3651750 BAELQNUNQFGCPJ-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB aggregator COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc1 4063942 RTQPKUXSROKHRJ-FUDKSRODSA-N 365.473 4.204 0 40 FIAB biogenic CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 4066149 GMUSRJNQRVZIIZ-UHFFFAOYSA-N 359.381 4.207 0 40 FIAB S=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1cccs1 4088178 MRIYDMWXBFWLNO-GOSISDBHSA-N 353.516 4.029 0 40 FIAB COc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4540007 CSBDJZTWWAOHBK-OAQYLSRUSA-N 373.408 4.402 0 40 FIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2C(=O)O 4697169 KNOYMEAZPBUJMH-XNISGKROSA-N 365.351 4.113 0 40 FIAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 4816465 IFNWSHMFHCXEOQ-UXHICEINSA-N 360.461 4.454 0 40 FIAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 5029827 BKHNEPHIMDDBKX-KOSHJBKYSA-N 367.813 4.427 0 40 FIAB CC(=O)[C@H]1SC2=NC3=C(CCCC3)[C@@H](c3ccc(Cl)cc3)N2C1=O 5379071 PGCXVMRPCRCHNS-HZPDHXFCSA-N 360.866 4.112 0 40 FIAB FC(F)(F)c1cc(-c2cccs2)nc2nc(N3CCOCC3)sc12 6257745 ZCWRPMMUBHJOGU-UHFFFAOYSA-N 371.409 4.275 0 40 FIAB Cc1ccc(C(=O)c2cn(Cc3ccccc3)c3nc(C)ccc3c2=O)cc1 8592471 RZJJVNVMVFFBMU-UHFFFAOYSA-N 368.436 4.293 0 40 FIAB aggregator O=C(Cn1nc(-c2cccs2)oc1=O)c1ccc(-c2ccccc2)cc1 8776225 RXNTWHFYPCPPSV-UHFFFAOYSA-N 362.410 4.115 0 40 FIAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)c1 9232305 NAQZGGYJIZRPQO-IBGZPJMESA-N 358.441 4.448 0 40 FIAB O=C(CCC(=O)NC1CCCCCCCCCCC1)NCc1ccco1 9553743 PPSOHAFFAPIOHM-UHFFFAOYSA-N 362.514 4.466 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccc[nH]1 9584239 YLNZIWFOUHPRPH-UHFFFAOYSA-N 363.446 4.064 0 40 FIAB COc1ccc(-c2cc(COC(=O)c3ccccc3SC)on2)cc1 11426653 RBELULMUJWSQFC-UHFFFAOYSA-N 355.415 4.429 0 40 FIAB CC[C@@H]1CCc2sc(-c3nnc(SC[C@H]4CCCO4)n3C)cc2C1 11552759 UCWBNZJOKQRGKH-TZMCWYRMSA-N 363.552 4.330 0 40 FIAB CCN1CCC[C@H]1CNc1ncc(-c2ccncc2)c(-c2ccoc2C)n1 12222130 MCAVBWKNNZNAMZ-KRWDZBQOSA-N 363.465 4.003 0 40 FIAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccco1)c1ccccc1 12764981 LKVNANYLYFFCNE-MRXNPFEDSA-N 362.429 4.342 0 40 FIAB COC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1cccc(Cl)c1 12810237 BTEOHDGGHGSDQH-UHFFFAOYSA-N 367.792 4.429 0 40 FIAB CC[C@H](C)n1c(SCc2nc(CC(C)C)no2)nc2ccccc2c1=O 12905001 FUSZLUYDWONAPZ-ZDUSSCGKSA-N 372.494 4.241 0 40 FIAB COc1cc(C(=O)N[C@H]2CCSc3ccccc32)ccc1OC(F)F 12910338 BJWWCHCRHJLVJB-ZDUSSCGKSA-N 365.401 4.264 0 40 FIAB CCOc1ccc(CCNC(=O)c2c(C)[nH]c3ccccc23)cc1OCC 12980831 KWBSNAPFXFXWFJ-UHFFFAOYSA-N 366.461 4.246 0 40 FIAB O=c1[nH]c2cc3c(cc2cc1CNc1cccc2ccccc12)OCCO3 13561382 ORRIJMOPWXAWJZ-UHFFFAOYSA-N 358.397 4.065 0 40 FIAB O=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 16847187 NYPIPRLJVKOQST-UHFFFAOYSA-N 362.395 4.278 0 40 FIAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(Br)cc1 17074066 OFHMWSRMXAHTHC-UHFFFAOYSA-N 359.267 4.297 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 17976044 AUCTWCKWYMANKF-ROUUACIJSA-N 357.450 4.242 0 40 FIAB Cc1cc(C)n(-c2ccc(NCc3ccc(N4CCCC4=O)cc3)cc2)n1 19715904 BHYIWTVILLXRLG-UHFFFAOYSA-N 360.461 4.228 0 40 FIAB CCN(CC)c1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 19842653 ONUOBJJOAQXIGT-UHFFFAOYSA-N 367.562 4.026 0 40 FIAB COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)s2)c1 23123880 PCWBRUZXAXTLFO-UHFFFAOYSA-N 355.868 4.060 0 40 FIAB Cc1cccc(CSCC(=O)NCc2ccc(CN3CCCC3)cc2)c1 24114480 XRJUANZHSUDDNN-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2cc(C)ccc2C)c1 26316116 OUYUCQIFPUUADG-JKSUJKDBSA-N 353.466 4.383 0 40 FIAB CCN(CC)[C@H](CNC(=O)COc1ccc(C)cc1)c1ccccc1Cl 27579684 RRQBAJWYRXBABK-HXUWFJFHSA-N 374.912 4.227 0 40 FIAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H]1c1cccs1 29797024 BZAQCZPBTDUUNV-MSOLQXFVSA-N 357.475 4.283 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)c1 32412500 LRLNKXRIGRRVJB-STQMWFEESA-N 363.841 4.002 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)n1 32578671 CQXGAHINGGRUDX-UHFFFAOYSA-N 355.369 4.017 0 40 FIAB C[C@H](NC(=O)c1cc(Br)ccc1F)c1ccc(F)c(F)c1 32983573 NMRJBJPKMCLWLF-QMMMGPOBSA-N 358.157 4.357 0 40 FIAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccccc4F)ncnc3c2c1 33172539 DIYYQTVASONCEZ-UHFFFAOYSA-N 366.421 4.289 0 40 FIAB CCCCC/C=C/C[C@H](O)/C=C/c1cccc(C[C@H](O)CCCCO)n1 34131931 JNBOAUIJLDEICX-UXMODEMCSA-N 361.526 4.048 0 40 FIAB in-vitro COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2)cc1 36247592 BMWSMSNJBDAMAW-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB CCCNc1nnc(SCc2cc(Cl)cc(C(C)=O)c2O)s1 36390616 UPVZHPNFPNUXSX-UHFFFAOYSA-N 357.888 4.214 0 40 FIAB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Br)cc1F)c1ccccc1 39486054 MYUQOBIVLNGMOR-CDCQXCROSA-N 373.225 4.373 0 40 FIAB Cc1ccc(C2=NC(=C(Cl)Cl)n3c(nc4ccccc43)CCN2)cc1 41097518 CQTGAMBKIOHQFQ-UHFFFAOYSA-N 371.271 4.498 0 40 FIAB COc1ccc([C@H]2CCCN2c2ccc(S(=O)(=O)C(F)F)cc2)cc1 43272655 IIYLPCINLWZLCX-QGZVFWFLSA-N 367.417 4.033 0 40 FIAB COc1cccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)c1 43277872 KCFPWQKKMDGDMJ-UHFFFAOYSA-N 355.507 4.354 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(C)c1 51364442 WABWJCLWYZPVKE-SFHVURJKSA-N 358.441 4.462 0 40 FIAB COc1ccc(Oc2cc(CNC(=O)NC[C@H]3CC=CCC3)ccn2)cc1 69209134 WLBCVTFCGKFNHL-INIZCTEOSA-N 367.449 4.038 0 40 FIAB Cc1ccc2c(ccn2CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 72325840 YUEOVCKJROCZEP-UHFFFAOYSA-N 365.864 4.443 0 40 FIAB biogenic O=C(NC1CCCCCC1)c1cn[nH]c1-c1cccc(Br)c1 72329036 HRKMHJUIHLEJLC-UHFFFAOYSA-N 362.271 4.292 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356081 WUUVBRAHFJQWBT-QFIPXVFZSA-N 371.484 4.396 0 40 FIAB O=C1N=C(Nc2cccc(F)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72401848 DJWATKQMNJJLAU-SXGWCWSVSA-N 365.389 4.386 0 40 FIAB O=C(CCn1ccc2c(Cl)cccc21)NC[C@@H]1CCCN2CCCC[C@H]12 79193787 XXGCFWJLMYDZII-QFBILLFUSA-N 373.928 4.066 0 40 FIAB biogenic CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(C)c(C)c2)no1 89263008 CRZZUFNQKIWDIO-UHFFFAOYSA-N 352.390 4.144 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102614758 GFFYXPWATCZTPU-IQGAEYHTSA-N 369.461 4.098 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 219057709 YOQWZSZYOXWSSI-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB Cc1ccc(SCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 222657708 LQCFVYNYEVTHDW-OAHLLOKOSA-N 357.475 4.126 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C 224385303 UELUAGDVLASBCN-ZDUSSCGKSA-N 373.324 4.283 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)CCc2ccccc2)c1 225515011 DJQOMPLIYOGSCG-MRXNPFEDSA-N 370.518 4.479 0 40 FIAB O=C(NC[C@H](c1ccsc1)N1CCC1)Nc1cccc(C(F)(F)F)c1 225596008 CQNIVMHVOHEKNK-OAHLLOKOSA-N 369.412 4.335 0 40 FIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 225599350 SCDCUKUUWIZCEW-AWEZNQCLSA-N 373.880 4.180 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2C)cc1 225762109 NZLLIMSKMKKAKS-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CC(C)N1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 257331388 XSQCFPFVFLKTCI-UHFFFAOYSA-N 357.498 4.329 0 40 FIAB CC(C)CCn1ncc(NC(=O)N2CCO[C@H](c3ccco3)C2)c1C(C)C 331778443 RPTREAXLBTVVPA-SFHVURJKSA-N 374.485 4.251 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 408619951 DTRSKURXFNQWEK-UHFFFAOYSA-N 374.440 4.194 0 40 FIAB NC(=O)c1ccc(CN[C@H]2CCCCc3cc(Br)ccc32)cc1 549522610 BZKNIIMQNHLFRZ-SFHVURJKSA-N 373.294 4.105 0 40 FIAB O=C(C1CCC(OC[C@H]2CCCO2)CC1)N1CCC(c2ccccc2)CC1 558937611 IIYXCLBBVXQRDZ-LZBANZJXSA-N 371.521 4.147 0 40 FIAB CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2 615957763 IFQRPYLHLLFCSB-ACRUOGEOSA-N 368.908 4.213 0 40 FIAB Cc1cc(N2C[C@@H](c3ccccc3C)OC[C@@H]2C)nc(-c2ccccn2)n1 674066553 QGBAFLKAZAZQJP-PXNSSMCTSA-N 360.461 4.122 0 40 FIAB C[C@H]1CN(C(=O)[C@@H](C)c2ccccc2C(F)(F)F)c2cccnc2O1 677046070 YAAVXAHGGODCTE-RYUDHWBXSA-N 350.340 4.018 0 40 FIAB Cc1ccccc1C(=O)N1CCC(COc2ccc(C(C)(C)C)nn2)CC1 1775965976 NZPLIVJRQHDJDU-UHFFFAOYSA-N 367.493 4.014 0 40 FIAB O=C(c1cc(F)cc(Cl)c1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975251 DVRUJGBEQIQHFJ-GJZGRUSLSA-N 368.239 4.337 0 40 FIAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 628049 LSUGPXUGQCGABW-UHFFFAOYSA-N 360.262 4.365 0 40 FIAB O=C(O)CSc1ccc(Sc2ccc(SCC(=O)O)cc2)cc1 2017824 CELOCCDLURUCOU-UHFFFAOYSA-N 366.485 4.191 0 40 FIAB O=C(Cc1cccc(Cl)c1)c1cccc(I)c1 2392997 FNIMAVCINKXQPT-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4C)nc32)c(C)c1 2421557 NZVXYHHUNSCCKP-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB COc1cc(/C=C/C(=O)Oc2ccc3c(c2)CCC3)ccc1OC(F)F 2650087 KRRMBHLXKRWQLR-UXBLZVDNSA-N 360.356 4.404 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(Br)cc2Br)o1 2659054 BYFQZGYOVHWDIH-UHFFFAOYSA-N 359.017 4.365 0 40 FIAB CCSc1nnc(CSc2ncccn2)n1-c1ccc(Cl)cc1 2706180 WNGPTKCAPWHULW-UHFFFAOYSA-N 363.899 4.115 0 40 FIAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccccc1Cl 3225923 WJTUOSUBMIZCLZ-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB COc1ccc(OCC(=O)OCc2cc(Cl)ccc2OC(F)F)cc1 3235976 LUNUECDZTXERGU-UHFFFAOYSA-N 372.751 4.072 0 40 FIAB CCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 3321983 AHTLIGSUJKJLPF-UHFFFAOYSA-N 374.444 4.421 0 40 FIAB C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc(F)c(F)c3)cc2C1 3385202 ZXXAIKGMLPVMDS-SNVBAGLBSA-N 350.386 4.191 0 40 FIAB CN(C)[C@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 3419928 ZSIJVZCIGVHLMU-HSZRJFAPSA-N 374.484 4.298 0 40 FIAB COc1cc(CCC(=O)Nc2ccc(Cl)cc2F)cc(OC)c1OC 3611917 OGAGLOHRHTUAQK-UHFFFAOYSA-N 367.804 4.076 0 40 FIAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1 4123292 OIPHUMQDOVXXLI-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C(=O)c1ccc(C(C)(C)C)cc1 4319464 COMJMBRCSJVLCU-QTXGHNMQSA-N 370.489 4.494 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2cccs2)o1 4496582 YGOZRFQWPLJYRX-UHFFFAOYSA-N 351.840 4.182 0 40 FIAB Cc1ccc(CNC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 4965339 OLYSHGUOEOQLSN-UHFFFAOYSA-N 365.502 4.138 0 40 FIAB COCCn1cc(NC(=O)N[C@H](C)CCc2ccccc2)c2ccccc21 5266432 XBXHNOZRLIWOGP-QGZVFWFLSA-N 365.477 4.431 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(-c2ccc(C)cc2)no1 5451807 RFFZHULCVDSOTP-CQSZACIVSA-N 352.390 4.065 0 40 FIAB COc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1Cl 5463925 YYJIKEKKIODRNS-UHFFFAOYSA-N 354.631 4.292 0 40 FIAB Cc1ccc(-c2nc3c(s2)CN(C(=O)/C=C/c2ccco2)CC3)cc1 5484297 UZSGIGXJRFRESP-CMDGGOBGSA-N 350.443 4.310 0 40 FIAB CC(=O)NCCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 5860805 FXJCZFXISDCMLN-UHFFFAOYSA-N 371.506 4.323 0 40 FIAB N#CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 6045535 WIEIMUGRMFCHNN-UNOMPAQXSA-N 373.437 4.401 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2c1C 6113499 BQVVIDAPSMWHQD-COPLHBTASA-N 363.552 4.341 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)SCc2ccccc2)ccc1Cl 6455510 GTKOCXXUUDNEJD-GFCCVEGCSA-N 363.866 4.387 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(OC)c(Br)c2)c1 6554609 YYXBVDVAEYVXRR-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)c3ccc[nH]3)n2n1 6654090 LGMOZCAHPGPHHS-UHFFFAOYSA-N 362.458 4.316 0 40 FIAB COc1cc(C(=O)Nc2cc(C)ccc2C)cc(OC)c1Br 7068867 BUXROQMLWFYMHH-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccoc2C)o1)c1ccccc1 7195175 GMMLPYUMALEBFK-ZDUSSCGKSA-N 357.435 4.172 0 40 FIAB O=C(NC1CC1)[C@@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1 7538843 RRZXZDJTGCCKMI-INIZCTEOSA-N 357.479 4.229 0 40 FIAB O=S(=O)(c1cccs1)N(Cc1ccc(F)cc1)C1CCCCC1 8225380 BTRNQUDCHMPEPT-UHFFFAOYSA-N 353.484 4.411 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCC[C@H]3C)cs2)cc1OC 8704968 DPFCIMCGKBQHKW-CZUORRHYSA-N 374.506 4.065 0 40 FIAB C[C@@H](CC(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1)c1ccccc1 8707157 NRPKWHGCZUDTDO-ZDUSSCGKSA-N 364.367 4.111 0 40 FIAB O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1C1CCCCC1 9926720 XAOJNHJXOKQEDJ-UHFFFAOYSA-N 368.864 4.370 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)ccc2C)cc1Cl 10543920 DRTVTWDOODELOY-ZDUSSCGKSA-N 353.871 4.005 0 40 FIAB Fc1ccc2ncn3c(-c4cc(-c5ccc(Cl)cc5)[nH]n4)nnc3c2c1 13569659 XNFMUVRLCAYCRN-UHFFFAOYSA-N 364.771 4.127 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1ccccc1Cl 13709832 FAMKQHNPLRRZMQ-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 14400422 LICKJRBSDGSSHN-UHFFFAOYSA-N 366.461 4.110 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1C(C)(C)C 16780055 NVACPGFCVKSQBL-WMLDXEAASA-N 353.528 4.240 0 40 FIAB CC(C)(C)Nc1c(C2CCN(C(=O)C3CCCC3)CC2)nc2ccccn12 19083120 LKOUPZBXNREQQK-UHFFFAOYSA-N 368.525 4.441 0 40 FIAB CNc1cc([C@H]2CCCN(Cc3cccc(C)c3)C2)nc(-c2cccnc2)n1 19234980 WGJHTUZEMVLXOF-FQEVSTJZSA-N 373.504 4.268 0 40 FIAB CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)cc1 20047092 AIQVNMWPILSJKF-IBGZPJMESA-N 359.491 4.205 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1Cl 21598579 RVRZAFOYCSDELB-LLVKDONJSA-N 361.854 4.262 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)Cc3ccsc3)cs2)cc1OC 21637433 PCROSFJMRNUOIO-UHFFFAOYSA-N 374.487 4.161 0 40 FIAB CCC(=O)N1CCCc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc21 22504683 AAKTUVNSXFZFPZ-UHFFFAOYSA-N 371.868 4.351 0 40 FIAB CCCCc1nnc(NC(=O)c2cc3c(nc4sccn43)s2)s1 23364218 AIIOVIKTHPGRKI-UHFFFAOYSA-N 363.493 4.057 0 40 FIAB CN(Cc1nc2ccccc2s1)CN1C(=O)c2cccc3cccc1c23 23850658 YSNHKVPNYVMTIF-UHFFFAOYSA-N 359.454 4.499 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 24366095 BDVJMZRIKBKSKV-UHFFFAOYSA-N 370.211 4.235 0 40 FIAB CCCCCc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 24749813 FXDHDRBGAQVXOK-SFHVURJKSA-N 352.482 4.064 0 40 FIAB COc1ccccc1Nc1nc(Nc2cc(C)ccc2C)c2cnn(C)c2n1 27666436 DEPMGENOEMDCMC-UHFFFAOYSA-N 374.448 4.476 0 40 FIAB C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(Cl)cc1 28095989 ZMECYMLIRRJOTJ-ZDUSSCGKSA-N 352.825 4.365 0 40 FIAB COc1cc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cc(OC)c1C 32025841 WZPBCOFQAITDGB-UHFFFAOYSA-N 363.417 4.030 0 40 FIAB COc1cccc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1 32817231 XNWCQYIFJWPJCA-UHFFFAOYSA-N 361.323 4.152 0 40 FIAB COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3)no2)cc1Cl 33152906 MWRQOLAVUIAYFG-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB COc1ccc(-c2noc(-c3cccnc3N(C)Cc3ccccc3)n2)cc1 33317783 BBOJDXVDFWBZNC-UHFFFAOYSA-N 372.428 4.444 0 40 FIAB O=C(NCCCOc1cccc2cccnc12)c1cc(-c2ccccc2)on1 38680925 GVVAJJNAXRCFOP-UHFFFAOYSA-N 373.412 4.089 0 40 FIAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)c1 39752715 DAFVBGZIIBPHNC-UHFFFAOYSA-N 368.496 4.095 0 40 FIAB O=C(NCc1cccc(COCc2ccco2)c1)c1ccc(F)cc1F 40089374 CXNXDFDEFUTBSV-UHFFFAOYSA-N 357.356 4.205 0 40 FIAB O=C(c1ccc(F)c(Cl)c1)c1ccccc1I 43210032 WLAMBYSTOCZMMY-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2)cc(-c2ccccn2)n1 49007123 MCQRSKFSCGBVDY-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 51529320 UEQXCWXBGGHPIZ-OAHLLOKOSA-N 354.475 4.042 0 40 FIAB COC(=O)COc1ccc(NC(=O)c2cccc(Cl)c2Cl)c(C)c1 55906910 OGXBJLCNAAHWCZ-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccco2)c1 57456515 CJSWSBOADXEQIE-HXUWFJFHSA-N 350.418 4.100 0 40 FIAB C[C@@H](C(=O)Nc1ccc(F)cc1F)n1c(-c2cccs2)n[nH]c1=S 64334442 OBSKDLMLNXUWID-QMMMGPOBSA-N 366.418 4.147 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)N1CC[C@H](Nc2ccccc2)C1 65577587 DZKANZIAOSGAGB-INIZCTEOSA-N 371.510 4.304 0 40 FIAB O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357815 MPHSVUABMFROGC-OAQYLSRUSA-N 361.420 4.184 0 40 FIAB O=C(COCc1ccccc1)N[C@H](Cc1cccc(O)c1)c1ccccc1 84539469 ANDBZJWLRDUIBT-JOCHJYFZSA-N 361.441 4.009 0 40 FIAB Cc1nc(CSCC(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)no1 89718440 TUOBRTUSXMNGFK-UHFFFAOYSA-N 359.495 4.209 0 40 FIAB Cc1nc(N)sc1-c1ccnc(Cc2c(Cl)cccc2Cl)n1 95629751 PAJYMZWSJLCCRI-UHFFFAOYSA-N 351.262 4.388 0 40 FIAB Fc1ccccc1CN1CCC[C@]2(C[C@H](OCc3ccccc3)CO2)C1 96073569 CTDOCRYLOQQYHN-UNMCSNQZSA-N 355.453 4.166 0 40 FIAB C[C@H](C(=O)NCc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1 98073317 DXFWCIZWDHILOK-INIZCTEOSA-N 361.416 4.477 0 40 FIAB CC12CC3(CC(=O)O)C[C@](Br)(C1)C[C@@](Br)(C2)C3 100811394 JSXBEUDVOWCUCG-FIYWTHMPSA-N 366.093 4.103 0 40 FIAB COc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 100952503 YKSGONVEZVJEHM-MRXNPFEDSA-N 356.788 4.135 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)n1 148069506 HXETUYKHJZCEQU-UHFFFAOYSA-N 363.505 4.247 0 40 FIAB O=C(c1ccccc1Br)N1CCS[C@H](c2ccco2)CC1 207006784 KRYBSDRAEGVHAZ-HNNXBMFYSA-N 366.280 4.363 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1-n1ccnc1 216257509 YMKXWMPAVYZCPP-QGZVFWFLSA-N 371.440 4.109 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1cccc(C)c1 222737724 ALXAYGJATSFLMT-INIZCTEOSA-N 370.518 4.395 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SC(C)C)s1 222792597 VZAVLZUFXZKQFI-ZDUSSCGKSA-N 365.524 4.452 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1cc(C)cc(C)c1 224190952 FMPLGOPISYSAHX-UHFFFAOYSA-N 365.429 4.414 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224623941 SBTGGWPHZCUAAI-JOCHJYFZSA-N 366.505 4.065 0 40 FIAB S=C(NCc1cccc(CN2CCCC2)c1)Nc1ccc(Cl)cc1 224640854 DXDQLRGADHNYID-UHFFFAOYSA-N 359.926 4.422 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225538343 DEDFHGDFRNWPNI-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(OC)c(Cl)c1 225581643 RWZGWUBTTZHENM-OAHLLOKOSA-N 369.962 4.290 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(OC)c(OC)c1 225719340 WGTPRIPPZYRMES-AWEZNQCLSA-N 366.433 4.420 0 40 FIAB CCc1nnc2sc(-c3ccc(OCc4ccc(C)cc4)cc3)nn12 226298434 HKYGWDTVTYGNMQ-UHFFFAOYSA-N 350.447 4.303 0 40 FIAB Cc1cccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1C 408657766 JALCAVUTWSCXPV-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409012835 LGXLDYDTNCFSCO-TVNQGELYSA-N 370.268 4.293 0 40 FIAB Cc1ccc(-c2cc(CN3CC[C@@H](c4ccccc4)[C@@H](CO)C3)on2)cc1 510177449 UBPXTECJJUJTKE-IRLDBZIGSA-N 362.473 4.248 0 40 FIAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nc(O)cc(C(F)F)n2)cc1C 570487395 AENLVWVMPSDVLP-LLVKDONJSA-N 352.406 4.409 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Oc2ccc(Cl)cc2)cn1 572835950 PMZLIEXSIGKDLX-SRCQZFHVSA-N 358.825 4.423 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Oc2ccc(Cl)cc2)nc1 576797898 RSRJFRZNOMZNHO-JCURWCKSSA-N 358.825 4.423 0 40 FIAB Cc1cc(N2CC[C@H](OCc3csc(C)n3)C2)c2cc(F)ccc2n1 585083249 HJRQKIXJUGJDFB-INIZCTEOSA-N 357.454 4.243 0 40 FIAB Cc1nc([C@](C)(NC(=O)c2oc3c(C)ccc(C)c3c2C)C2CC2)no1 647139301 YBLAUBSXUISAHS-HXUWFJFHSA-N 353.422 4.105 0 40 FIAB CNC(=O)[C@H]1CCCc2sc(/C=C/c3cccc(OC4CC4)c3F)nc21 656613317 ISERPBULGXYDRM-ZHZWZMEUSA-N 372.465 4.160 0 40 FIAB Cc1nc(C(C)(C)C)nc(O)c1C(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C 1142870995 VEWLNJNAEXSOFN-CABCVRRESA-N 361.530 4.370 0 40 FIAB CCOc1cc(C=O)ccc1OCC(=O)Nc1c(CC)cccc1CC 648739 GRSVTPSMURMSSI-UHFFFAOYSA-N 355.434 4.040 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccccc2)c(C)s1 668522 XHISVTKYZRUHDV-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1cc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2c2ccccc12 916536 DKZGBCZWIQJNOX-HUUCEWRRSA-N 368.506 4.073 0 40 FIAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(C)=O)cc2c1 1359353 CHQRPIFQCCTCHD-UHFFFAOYSA-N 368.864 4.293 0 40 FIAB S=C(S)N(CN(C(=S)S)c1ccccc1)c1ccccc1 1628275 JUXOBIKWPBTPKE-UHFFFAOYSA-N 350.559 4.387 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(Cl)c2C)cc1 1892699 UFFHOQDMEANZCH-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB CSc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 2161029 RLRILLMTQDEUPP-VDZCTEQFSA-N 364.514 4.354 0 40 FIAB biogenic CC[n+]1cccc([C@@H]2CCCCN2C(=O)c2ccccc2Br)c1 2332160 MVNOLAJGICWLSV-SFHVURJKSA-N 374.302 4.124 0 40 FIAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1 2628379 KKKYWMFZLVTTLP-UHFFFAOYSA-N 351.840 4.329 0 40 FIAB aggregator O=S(=O)(Nc1ccc(SC(F)F)cc1)c1ccc(F)c(F)c1 2637423 UPEDYMUSESNZJS-UHFFFAOYSA-N 351.346 4.080 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 3314959 UJSPKZKPQMPUFV-MRXNPFEDSA-N 370.518 4.333 0 40 FIAB Cc1ccccc1C(=O)N(CCCN(C)C)c1nc2ccc(F)cc2s1 4359608 WRRLAWUNJDPYPX-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB Cc1ccc([C@H]2c3cccn3CCN2C(=O)NCCc2ccccc2)cc1 5256434 PGWCWOFEOIQBRU-QFIPXVFZSA-N 359.473 4.154 0 40 FIAB CCc1ccccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269827 YKQZALHZTKOVPL-UHFFFAOYSA-N 366.848 4.365 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cc(C)ccc3C)c2=O)c1 5270055 KPGXNJXSEGOYTE-UHFFFAOYSA-N 360.457 4.383 0 40 FIAB COc1cccc(-c2c(NC(=O)CC(C)C)n(C)c3ccccc3c2=O)c1 5270993 GFDJZGHYYBBYEG-UHFFFAOYSA-N 364.445 4.199 0 40 FIAB Cc1ccc([C@H](C)NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1C 5401590 DMCKJLSNLGOCLM-AWEZNQCLSA-N 370.522 4.077 0 40 FIAB COc1ccccc1/C=C/C(=O)OCC(=O)c1ccc(Cl)cc1Cl 5559241 YPZUCBGALPFMAK-RMKNXTFCSA-N 365.212 4.441 0 40 FIAB Fc1ccc(-c2nc3sc4ccccc4n3c2CN2CCOCC2)cc1 6025800 DWRCATJWASPYIV-UHFFFAOYSA-N 367.449 4.187 0 40 FIAB O=C(CN1CCc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 6550987 LBLRBZSZEGVIKL-UHFFFAOYSA-N 358.441 4.267 0 40 FIAB CN(C)c1ccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 6983771 IJRPPZRGGBNFFT-UHFFFAOYSA-N 356.809 4.418 0 40 FIAB CCOc1ccc2nc(NC(=O)CCc3ccccc3OC)sc2c1 7768167 UWEGHRVUOMLBAM-UHFFFAOYSA-N 356.447 4.275 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8041083 MVGCGEAHXHOKMH-SJORKVTESA-N 368.477 4.238 0 40 FIAB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 8268787 SRIQILJCBUGYQT-MRXNPFEDSA-N 362.473 4.183 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)c1 8355004 FRGQPCJTQJHTMZ-NSHDSACASA-N 353.340 4.214 0 40 FIAB CC(=O)Nc1ccc(/C=C/c2nc3scc(CC(C)C)c3c(=O)[nH]2)cc1 9156099 UFGTYWWKXBAIBH-RMKNXTFCSA-N 367.474 4.312 0 40 FIAB O=C(COc1cccc2c1CCC2=O)Nc1ccc(Cl)cc1Cl 10197744 QJYUBDNWXUQMTG-UHFFFAOYSA-N 350.201 4.140 0 40 FIAB COc1cc(C(=O)N[C@@H](C)c2ccccn2)ccc1OCc1ccccc1 10557542 CMFBKANHNNDPMT-INIZCTEOSA-N 362.429 4.160 0 40 FIAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1ccccc1 11694977 APLJLQNTZZIPRO-UHFFFAOYSA-N 374.512 4.361 0 40 FIAB Fc1ccc(-c2cnc(-c3ccncc3)c(CN[C@@H]3CCCOC3)c2)cc1 12337334 GKQMUSIJAYQJBR-OAQYLSRUSA-N 363.436 4.218 0 40 FIAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)NCCC1=CCCCC1 12909854 UAHFOHAZINVUGM-UHFFFAOYSA-N 372.553 4.106 0 40 FIAB c1cncc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13036179 SMWDGCVHHNVHMP-PGRDOPGGSA-N 371.396 4.053 0 40 FIAB Cc1ccc([C@H](NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 14577313 RVOBKEPNELPKAF-JOCHJYFZSA-N 359.425 4.286 0 40 FIAB O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3cccc(Cl)c3Cl)C[C@H]21 19402297 VIFXYXPAGZDGNY-OHNRDTAOSA-N 363.288 4.118 0 40 FIAB Cc1ccc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1C 19927997 UFJMZBVPHCLYBQ-UHFFFAOYSA-N 370.430 4.256 0 40 FIAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 20612020 SGCDJRMVRUOYDP-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)C[C@@H](NC(C)=O)c1cccs1 22278945 BASVCZACSLHEBW-MAUKXSAKSA-N 358.507 4.143 0 40 FIAB O=C(COC(=O)c1ccsc1)Nc1ccc(Cl)cc1C(F)(F)F 22536597 KRKVJSKCRDYKSJ-UHFFFAOYSA-N 363.744 4.216 0 40 FIAB C[C@@H](c1nnc(-c2ccccc2)o1)N(C)CC(=O)Nc1ccccc1Cl 23038201 OCTLIUXGBPTHEU-ZDUSSCGKSA-N 370.840 4.022 0 40 FIAB O=C(NCC1CCN(C2CCCC2)CC1)c1cccc(C(F)(F)F)c1 23127955 OXYUECBQGCCZHV-UHFFFAOYSA-N 354.416 4.090 0 40 FIAB CCn1cc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 28222798 PKSZYTPMIICDEH-UHFFFAOYSA-N 352.143 4.481 0 40 FIAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 28284931 YSEGSYNUZBINTP-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 28292206 IRYQTSQAJUDMTF-GOSISDBHSA-N 363.461 4.263 0 40 FIAB O=C1CSc2ccccc2N1C(=O)Nc1nc(-c2ccccc2)cs1 28527705 PEFGYBZYWHZEBR-UHFFFAOYSA-N 367.455 4.481 0 40 FIAB CN(C(=O)CCc1nnc(-c2ccccc2)o1)[C@H]1CCCc2ccccc21 29258342 YBQJLBAOOIBPQR-IBGZPJMESA-N 361.445 4.205 0 40 FIAB Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc12 30920382 DKUSIQMIPYZREQ-QMMMGPOBSA-N 350.205 4.329 0 40 FIAB COc1cccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)nsc32)c1 35324491 LWDCHDYALMURLT-OAHLLOKOSA-N 354.406 4.432 0 40 FIAB COc1ccccc1CNC(=O)c1cc(-c2cccnc2)nc2ccccc12 37868796 IGAVJQCSNKESCR-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB CC1(C)CC(NC(=O)Nc2ccc(OCC(F)(F)F)cc2)CC(C)(C)N1 40023757 VRALXYOCIYMWSV-UHFFFAOYSA-N 373.419 4.058 0 40 FIAB O=C(c1cncc(Br)c1)N1CCSc2ccc(Cl)cc21 40071172 HBIIOIQUYSIJDH-UHFFFAOYSA-N 369.671 4.250 0 40 FIAB Cc1n[nH]c2c1[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)SCC(O)=N2 44892227 AIYNQLJVKPCBCR-HNNXBMFYSA-N 359.842 4.186 0 40 FIAB Cc1csc2nc(CNc3ccccc3N3CCCCCC3)cc(=O)n12 56164038 DQRMBZJBJTVMBJ-UHFFFAOYSA-N 368.506 4.057 0 40 FIAB Cc1ccnc(NC(=O)CN(C)Cc2sc3ccccc3c2Cl)c1 58222632 NJYJOYMSSLBKNN-UHFFFAOYSA-N 359.882 4.329 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1nc(-c2ccccc2)no1 66050988 YYQAUDPTGPJUAT-INIZCTEOSA-N 371.824 4.223 0 40 FIAB O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(-c2ccccc2F)s1 69350478 FUSHBJBSDWKXIO-ZDUSSCGKSA-N 371.437 4.040 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 69351259 ZNLAMMCUVKKHSB-RKNYENMMSA-N 361.894 4.443 0 40 FIAB CC(C)CCC[C@@H](C)N(CCC(C)C)C(=O)c1cnc2ccccn2c1=O 76066828 KBQPYEPQCSDSSH-GOSISDBHSA-N 371.525 4.398 0 40 FIAB O=C(NCCN1CCC(c2cccs2)CC1)c1ccc(F)cc1Cl 77103985 LSLJLUJRRLNSOS-UHFFFAOYSA-N 366.889 4.150 0 40 FIAB CCc1ccc(OCCc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 95116396 IRUALCQWFRVSFJ-UHFFFAOYSA-N 367.474 4.283 0 40 FIAB CC(C)NC(=O)N1CCC[C@@H](C(=O)Oc2ccc(Cl)c3ccccc23)C1 95350648 IHXAGDSTTCYHBP-CQSZACIVSA-N 374.868 4.229 0 40 FIAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2ccsc2)cc1 95477501 JITZXCQQEWGCCU-HNNXBMFYSA-N 371.443 4.056 0 40 FIAB Cc1ccc(NC(=O)Nc2c(C)nc(N3CCCC3)nc2C)cc1Cl 96103701 KAVPFRLUBJLUKS-UHFFFAOYSA-N 359.861 4.299 0 40 FIAB COCc1cc(C)nc2sc(-c3nc4ccc(F)c(F)c4o3)c(N)c12 96335736 JLKDVUDXYMITAK-UHFFFAOYSA-N 361.373 4.420 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C 101275431 AAUXHOYUJWBXDA-MRXNPFEDSA-N 363.244 4.354 0 40 FIAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 101277163 WCMBXTBAAJEHEH-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB O=C(CSCc1ccccc1F)NCCCc1ccc(Cl)cc1 222706297 MWPVGQWWMVHDNU-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223421513 LJHDSBFPOVVXBE-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CCc3ccc(C)c(C)c3)s2)cc1 224013770 RTWWTFQYNGQCHY-UHFFFAOYSA-N 367.474 4.402 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COC 224684478 XCHBZDMSTREWPS-UHFFFAOYSA-N 364.239 4.247 0 40 FIAB CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)cc1 224716958 IEFJZSRHASYHCB-UHFFFAOYSA-N 350.654 4.472 0 40 FIAB COc1cccc2cc(C(=O)NCc3cccnc3-c3ccsc3)oc12 225645337 SHQDCMFLARVCQW-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(F)c1)CC(C)(C)O2 225682385 XTPLBQFCBUUJEJ-MRXNPFEDSA-N 360.454 4.423 0 40 FIAB CC[C@@H](C)Oc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(=O)OC 225792518 AOQZTYDZEUOJGE-JLTOFOAXSA-N 365.470 4.040 0 40 FIAB CCCCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ccccc1 257296413 RCSQWQQHQVHCRO-RXVVDRJESA-N 363.498 4.386 0 40 FIAB C[C@H]1CC(CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C[C@H](C)O1 332301801 NKZKCDYTMQGHAE-HOTGVXAUSA-N 369.509 4.103 0 40 FIAB CCCCN1C(=O)S/C(=C\c2cc(Cl)c(O)c(OCC)c2)C1=O 409059203 VIHUMLFANCWNDS-LCYFTJDESA-N 355.843 4.281 0 40 FIAB NC(=O)/C=C\c1ccc(OCc2cccc(Br)c2)c(Cl)c1 409416266 VJCNKUBLEPKXSU-ALCCZGGFSA-N 366.642 4.180 0 40 FIAB COc1ccc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2)c(O)c1 514287833 DBUKHGTUAMZHKC-ZDUSSCGKSA-N 356.418 4.039 0 40 FIAB biogenic,in-vitro COc1ccc(Oc2ccc(CCNC(=O)c3cnccc3C)cc2)cc1 535858152 ALVAEVZGXJPHOZ-UHFFFAOYSA-N 362.429 4.163 0 40 FIAB COC(=O)CCCc1ccc(Cc2ccc(CCCC(=O)OC)cc2)cc1 640327 ONRWOUYCNGRKGC-UHFFFAOYSA-N 368.473 4.269 0 40 FIAB O=C1c2cccnc2C(=O)N1c1cccc(-c2nc3ccccc3s2)c1 692364 IDLZKCZFXQHJGQ-UHFFFAOYSA-N 357.394 4.159 0 40 FIAB CCSc1nc2sc3c(c2c(=O)n1CC(C)C)CC(C)(C)OC3 2281063 WUPBEIXVLSGBKX-UHFFFAOYSA-N 352.525 4.077 0 40 FIAB COc1cccc([C@H]2C[C@H](c3ccc(C)c(C)c3)Nc3ncnn32)c1OC 2919744 WTEQEDZKXHGBLQ-QZTJIDSGSA-N 364.449 4.058 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 3176535 XIUYGSYWVWAAHS-MRXNPFEDSA-N 354.450 4.072 0 40 FIAB C[C@@H](NC(=S)NC1CCCCC1)[C@H](c1cccs1)N1CCCC1 3211456 LDSSHFVKURPSKD-RHSMWYFYSA-N 351.585 4.070 0 40 FIAB O=C(Cc1ccccc1F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 3403591 XZLBUJMDWLKRLV-HNNXBMFYSA-N 370.449 4.190 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1N1CCOCC1 3560453 XBKQMRFWAKVNDU-UHFFFAOYSA-N 365.260 4.011 0 40 FIAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 3900022 WTMDCHNWHQABOS-CFGMGRTJSA-N 351.402 4.164 0 40 FIAB CCOc1ccccc1N1C(=O)C(Cl)=C(Nc2cccc(C)c2C)C1=O 3953618 PVVNZEQSXTZSDG-UHFFFAOYSA-N 370.836 4.138 0 40 FIAB COc1ccc(C(=O)Nc2nnc(-c3c(C)cc(C)cc3C)s2)cc1 4070372 ZLXRKBDYBZIHMG-UHFFFAOYSA-N 353.447 4.391 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)c1cccc(I)c1 4676169 NGVMKLUDORZHOY-LBPRGKRZSA-N 359.251 4.236 0 40 FIAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)N[C@H]1CCCc2ccccc21 4828516 YXEXDOUGOCZCFA-DOMZBBRYSA-N 369.446 4.004 0 40 FIAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cccc4ccccc34)C2)n1 4967659 FGXSGJBVBPRHEP-SFHVURJKSA-N 360.461 4.102 0 40 FIAB O=C(Oc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(F)cc1 6078974 KJFPCQJYLUMAIZ-UHFFFAOYSA-N 366.344 4.353 0 40 FIAB COc1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1 6337147 RBJRWHSSZZSNKP-JLHYYAGUSA-N 372.346 4.368 0 40 FIAB COc1cc2sc(NC(=O)COc3ccccc3C)nc2cc1Cl 6479542 LAZGTVIZAZZPIE-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB Cc1cccc(OCCCC(=O)Nc2nnc(Cc3ccccc3)s2)c1 6790280 BRGWRUHIFDDUCF-UHFFFAOYSA-N 367.474 4.235 0 40 FIAB CCN(CC)c1ccc2cc(-c3nc(-c4ccccc4)no3)c(=O)oc2c1 6867976 JGGYVUDYCGHHIK-UHFFFAOYSA-N 361.401 4.356 0 40 FIAB Cc1sc(Nc2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1 7109555 LBPUMBWUMWKCJP-UHFFFAOYSA-N 359.476 4.234 0 40 FIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccccc1Cl 7129126 SBJSBUQVVQRKJM-GFCCVEGCSA-N 360.866 4.196 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccccc1C(F)(F)F 7593814 VXUCLLNLWRIGQC-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(C)c1 7928107 RKQWIRQMYZYXAI-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 7929343 IRJMBICSXKOTJP-LJQANCHMSA-N 365.473 4.332 0 40 FIAB CC(C)[C@@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCCO2 8062009 HBEOTQIQHUJLEF-BSDIHXDHSA-N 355.409 4.124 0 40 FIAB O=C(COc1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8103365 LMURGGPEADMDGI-AWEZNQCLSA-N 370.449 4.220 0 40 FIAB Fc1ccc(CN(Cn2nc(-c3cccnc3)oc2=S)C2CC2)cc1 8151402 CSUVDVLQGRVJMH-UHFFFAOYSA-N 356.426 4.029 0 40 FIAB C[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccc(-n2ccnc2)cc1 8345302 WLFWOAZVBBIMFQ-KRWDZBQOSA-N 359.473 4.171 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)c1 8354991 VYXMGRHCNAWESY-NSHDSACASA-N 353.340 4.214 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8481066 OOGDZHRVZCHPHB-KRWDZBQOSA-N 368.477 4.191 0 40 FIAB C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc2ccccc2c1 8987597 DAJFTAZTMRCHSV-INIZCTEOSA-N 361.445 4.229 0 40 FIAB Cc1cc(C)n(-c2nc(Nc3ccc(O)cc3)cc(-c3ccccc3)n2)n1 9061033 WSDDVJJCJFBBDU-UHFFFAOYSA-N 357.417 4.395 0 40 FIAB O=C1C[C@@H](c2ccc(Br)cc2)c2c(-c3ccccc3)n[nH]c2N1 9546549 DQYCHAUIFCSIKN-AWEZNQCLSA-N 368.234 4.313 0 40 FIAB CC(C)[C@H]1C[C@@](CC(=O)NCc2ccco2)(Cc2ccccc2)CCO1 9575960 IFMHOVMPUCDZOD-IRLDBZIGSA-N 355.478 4.350 0 40 FIAB O=C(Cc1csc(COc2ccc(F)cc2)n1)Nc1cccc(F)c1 10366491 NABUDDXRNAOFNB-UHFFFAOYSA-N 360.385 4.182 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)C1(c2ccc(Cl)cc2)CC1 10870924 CNGSGLDXYGBYAV-UHFFFAOYSA-N 358.850 4.405 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)CCCOc2ccc(OC)cc2)cc1 11171423 ZDIALVZMZMHAIL-MRXNPFEDSA-N 357.450 4.130 0 40 FIAB O=C(CSc1ccncc1)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188105 IIJCHABXGBIUAN-GOSISDBHSA-N 363.486 4.128 0 40 FIAB CC[C@H](Sc1nnc(-c2ccco2)n1CC)C(=O)Nc1ccccc1 12615970 JETYAATUQSOEKX-HNNXBMFYSA-N 356.451 4.067 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1F 12766152 KUCVLCDHFILYII-XBXARRHUSA-N 367.323 4.096 0 40 FIAB Cc1c(O)ccc2c(CN(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc(=O)oc12 12767707 UOKOUJXRDREHBW-PXAZEXFGSA-N 353.418 4.155 0 40 FIAB Cc1nc(COc2cccc(C(=O)NCc3ccccc3F)c2)cs1 12991743 HQFNLMZCMDEHGK-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB CCCN(Cc1cc2cc(OC)ccc2nc1O)C(=O)c1ccc(C)cc1 13479927 YOVIRIVKCPOYFD-UHFFFAOYSA-N 364.445 4.310 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13709164 FHJBISMTZJJIRY-HNNXBMFYSA-N 363.413 4.341 0 40 FIAB Cc1cc2ncc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)c(C)n2n1 14168903 GLZOWZUTYALCDK-SNVBAGLBSA-N 363.248 4.144 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(Br)c3)c12 14179773 WJDDCSXTUIQSSG-UHFFFAOYSA-N 372.222 4.423 0 40 FIAB Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C(C)C)c2ccccc2)cc1 14241141 QACLRVLKWYGBOP-KRWDZBQOSA-N 367.478 4.035 0 40 FIAB Cc1nc(/C=C/C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cs1 14853858 HIHJWAYATAHEEP-IEJURRBGSA-N 372.490 4.140 0 40 FIAB CCC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(CC)n2C(=O)CC 16777628 IPQQGYXKHQXNHZ-UHFFFAOYSA-N 370.478 4.015 0 40 FIAB Cc1ccccc1-c1ncc(CN2CCC(O)(c3ccccc3C)CC2)cn1 19237544 JMELLYPJPSYKNN-UHFFFAOYSA-N 373.500 4.244 0 40 FIAB O=C(CCc1ccccc1)N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21 19370845 ARKACAWETUNAIQ-CQOQZXRMSA-N 362.517 4.146 0 40 FIAB COCc1ccc(OC)c(CN2CCC(c3cc4ncccc4[nH]3)CC2)c1 19594336 HSEOXOBORQYDJP-UHFFFAOYSA-N 365.477 4.098 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC 20488943 CDSFDPQROZNWLO-STQMWFEESA-N 363.841 4.002 0 40 FIAB O=C(COc1ccc(Cl)cc1)OCC(=O)c1cccc2ccccc12 21988889 VVKRJZMFVMRIRI-UHFFFAOYSA-N 354.789 4.298 0 40 FIAB COc1cc(C=O)ccc1OCc1nc(-c2ccc(C(C)(C)C)cc2)no1 22120913 OFPSXAMKFYLVTD-UHFFFAOYSA-N 366.417 4.434 0 40 FIAB O=C(Nc1ccccc1N1CCCCC1)c1ccc2c(c1)OCCCO2 23244521 RSHGKMKVMMBHON-UHFFFAOYSA-N 352.434 4.091 0 40 FIAB C[C@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccc(Cl)s1 26812740 UXPXIGUBKGYNGC-GFCCVEGCSA-N 359.882 4.409 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(F)cc2)no1 27990611 NVXPVWQMENSCOL-INIZCTEOSA-N 358.344 4.416 0 40 FIAB Cc1nn(C)c(C)c1C(=O)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 32879116 AOMSNFKRTQNTID-UHFFFAOYSA-N 368.820 4.141 0 40 FIAB O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccc(Cl)c(Cl)c1 32912591 NIDFLVOWDHJSLX-CQSZACIVSA-N 361.175 4.127 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)c(OC)c1 34873464 BUCVHRHBRHOFOU-MOPGFXCFSA-N 361.869 4.228 0 40 FIAB COC(=O)c1ccccc1Nc1c(-c2ccc(C)cc2)nc2cnccn12 35616422 AGGJDWYBYCYLKK-UHFFFAOYSA-N 358.401 4.235 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c(C)s1 40074218 VTFQPNOJJMXVCA-BLLLJJGKSA-N 364.536 4.058 0 40 FIAB O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(Cl)nc1 40074664 VHASYLNPZYPLKZ-IUCAKERBSA-N 374.712 4.374 0 40 FIAB CN(Cc1ccccc1)C(=O)CCn1ccc2cc(Br)ccc21 41128053 DWFIXRKECQEVKN-UHFFFAOYSA-N 371.278 4.453 0 40 FIAB CCCOc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1 45889357 ACBMUNFWVUUETE-UHFFFAOYSA-N 370.478 4.240 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCc2c(F)cc(F)cc21 48277278 RLOLQVBQSRPJHO-UHFFFAOYSA-N 370.403 4.192 0 40 FIAB Cc1nn(C)c2c1[C@@H](c1ccccc1OC(F)(F)F)SCC(O)=N2 49548384 DQHPCWTVVPPSDG-CYBMUJFWSA-N 357.357 4.051 0 40 FIAB Cc1ccc(-n2nnc(C(=O)NC3CCCCCCC3)c2C)cc1Cl 51317771 LKUQAGXBTCYRHQ-UHFFFAOYSA-N 360.889 4.380 0 40 FIAB O=C(Nc1cccc(CNCc2ccc(Cl)s2)c1)c1ccncc1 55171606 VMAFEKLHHUGYKY-UHFFFAOYSA-N 357.866 4.339 0 40 FIAB Cc1nc(-c2ccc(NC(=O)CN(C)c3ccc(Cl)cn3)cc2)oc1C 56133122 ZKVYWBYZECKXAI-UHFFFAOYSA-N 370.840 4.082 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1nc(-c2ccncc2)cs1 61719657 KLDWAKZBUSSVNN-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB O=C(NC1(c2ccc(F)cc2)CCC1)c1csc(-c2ccccn2)n1 65490798 NABIUIBNHGVHQF-UHFFFAOYSA-N 353.422 4.153 0 40 FIAB CCc1nn2c(NCc3ccncc3)cc(C)nc2c1-c1ccc(F)cc1 72341784 KNCOCMYZPAKQOA-UHFFFAOYSA-N 361.424 4.413 0 40 FIAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 72358463 QUNRFRIVXGZPNZ-LJQANCHMSA-N 373.456 4.172 0 40 FIAB CO[C@]1(C)C[C@H](N(C)C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C1(C)C 74383759 ZDUZOGXXGBEYNL-DAESXHAQSA-N 371.481 4.248 0 40 FIAB Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@H](CC(C)C)SCC(O)=N2 79490319 RIGJRLOJLVLKBQ-CQSZACIVSA-N 359.451 4.301 0 40 FIAB O=C(Cn1ccc2ccc(Cl)cc21)N(Cc1ccco1)C[C@@H]1CCCO1 84432551 XPBLHPIXIHUGNW-SFHVURJKSA-N 372.852 4.096 0 40 FIAB CC(=O)c1csc(NC(=O)c2ccccc2N(C)c2ccccc2)n1 89368559 YNCHQAVHUQEDHN-UHFFFAOYSA-N 351.431 4.366 0 40 FIAB Cc1ccc(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)s1 90592864 FSTBZPQKWUQGHF-UHFFFAOYSA-N 370.546 4.028 0 40 FIAB Cc1csc(SCC2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 90608094 PWLIAFDZCDVSRM-BQYQJAHWSA-N 358.532 4.496 0 40 FIAB Fc1cc(F)cc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)c1 96345161 RUIBTZGSWKIBBY-UHFFFAOYSA-N 362.339 4.407 0 40 FIAB Cc1cccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426890 UGUXVZQGHBHWNG-ROUUACIJSA-N 373.566 4.240 0 40 FIAB Cn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2ccccc21 100811259 MSSDDCJIQBGCSH-FCQUAONHSA-N 372.449 4.212 0 40 FIAB CCCC(CCC)C(=O)/N=c1/sc2cc3c(cc2n1CC)OCCO3 100911698 RWOZGKZYLIPJDG-FMQUCBEESA-N 362.495 4.138 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@H](c2ccccc2O)C1 102607499 XFJVJPAREWWFOH-VBKZILBWSA-N 358.401 4.049 0 40 FIAB CN1CC[C@@H](CNC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c2ccccc21 105728068 IHJYJPVAORHPGE-WKUAPKQTSA-N 372.940 4.304 0 40 FIAB CC[C@@H](NC(=O)c1ccccc1OC(C)C)c1ccc(OC)c(OC)c1 219745738 JVVUFKNFVWNSMP-QGZVFWFLSA-N 357.450 4.372 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222709941 FBPVGBXZEBHOKB-HZPDHXFCSA-N 369.461 4.226 0 40 FIAB CC[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 222771695 WDASIWGIHROAKC-MRXNPFEDSA-N 363.841 4.004 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1Cl)CCCC2 222986561 QXMPRKPWNNSHEQ-UHFFFAOYSA-N 351.855 4.028 0 40 FIAB COc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1Cl 223210879 WKAGYPRVXJGGID-UHFFFAOYSA-N 363.841 4.074 0 40 FIAB COc1ccc2c(c1)N(C(=O)C(C)(C)Br)C(C)(C)C[C@H]2C 223238750 NXPHQAXRYRBINK-LLVKDONJSA-N 354.288 4.488 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164611 WAMUVHCKKVQLFD-GOSISDBHSA-N 365.832 4.140 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COCC(C)C 224734610 VNFZQPBBXIBRPQ-UHFFFAOYSA-N 355.478 4.496 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)c(C)c2)c(C)c1 224894476 WVILUGJQSYHKNF-UHFFFAOYSA-N 355.434 4.060 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)SCc3ccccc3)ccc21 225076423 KQUHYSQGVNRGTO-CYBMUJFWSA-N 372.515 4.343 0 40 FIAB Cc1ccccc1CSCCCNC(=S)Nc1ccc2c(c1)OCO2 225600497 QUORGIFRPANHRO-UHFFFAOYSA-N 374.531 4.334 0 40 FIAB CO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 225635172 QLUUQENQDOSFIU-AVRDEDQJSA-N 374.525 4.085 0 40 FIAB CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2nc(Cl)oc2c1 225980919 RXEXIWDYYVAPHF-UHFFFAOYSA-N 368.824 4.408 0 40 FIAB COc1cc(NC(=O)c2ccccc2C)ccc1-c1ccc(C(=O)O)o1 226356458 OEKCHPPNVWSHSP-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB COc1cccc2c1O[C@@]1(C)[C@@H](C)[C@H]2NC(=S)N1c1c(C)cccc1C 229974431 XCSDDJUXFMVBBW-OXTHUFEASA-N 368.502 4.493 0 40 FIAB CC(C)N1CCC[C@@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 257206111 BBXBGMPSAQHMMK-QGZVFWFLSA-N 357.498 4.329 0 40 FIAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCC[C@@]31C2 257317803 VLFXNOGBDJFAJE-WOGGDJBASA-N 359.485 4.480 0 40 FIAB CCCCNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408617623 CTJBQIWQEOAKOT-UHFFFAOYSA-N 354.837 4.359 0 40 FIAB CSc1ccc(C(=O)N2CC[C@H](n3c(C)nc4ccccc43)C2)cc1 575618879 WZRKUIZRDHDZCL-INIZCTEOSA-N 351.475 4.154 0 40 FIAB O=C(CCc1cccc(Cl)c1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149131 ZVMLSQXTNOZTPP-SFHVURJKSA-N 355.865 4.224 0 40 FIAB Cc1noc2ncnc(N[C@H](COCc3ccccc3)c3ccccc3)c12 669653064 DAMUEIWKQQDHFW-GOSISDBHSA-N 360.417 4.296 0 40 FIAB Cc1nc2cccc(C(=O)NCCc3c(C)[nH]c4ccc(F)cc34)c2o1 1446017 WGWPWVJGMIOHFW-UHFFFAOYSA-N 351.381 4.038 0 40 FIAB Cc1ccccc1-c1nnc2sc(-c3ccc(Br)o3)nn12 2385731 ZTRFBSZWXFBHIL-UHFFFAOYSA-N 361.224 4.184 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4cccc(Cl)c4)nnc32)c(C)c1 2406229 GUJZTMWKYMFGBF-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Cc1cc(-c2nnc(-c3ccccc3OC(F)(F)F)o2)nc(Cl)n1 2559311 SLQBFNIVXDPWDJ-UHFFFAOYSA-N 356.691 4.054 0 40 FIAB O=C(OCC(=O)N1CCCc2ccccc21)c1c(Cl)cccc1Cl 3262991 RXOAITZHRXROHN-UHFFFAOYSA-N 364.228 4.130 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1csc(-c2ccccc2)n1 3264906 KNHFTPLGVVTJGS-VQHVLOKHSA-N 365.410 4.295 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nnc(NC2CCCCC2)s1 3345515 YRHIFVAFPBTYRH-AWEZNQCLSA-N 368.572 4.166 0 40 FIAB COc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C)cc1 3567656 VINWKZMJGUNJEL-UHFFFAOYSA-N 368.487 4.393 0 40 FIAB COc1ccccc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 4702349 YMJJSFDHVHWHLN-UHFFFAOYSA-N 374.465 4.393 0 40 FIAB CCCC[C@H](CC)COC(=O)[C@H](O)CC(=O)OC[C@H](CC)CCCC 4759382 ZDVFAKWEMOAQQR-FGTMMUONSA-N 358.519 4.257 0 40 FIAB CCCCOc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 5704810 CXHMREDVYJJTIN-LJQANCHMSA-N 356.466 4.025 0 40 FIAB CCOC(=O)c1cc(NC(=O)Cn2ccc3ccccc32)ccc1Cl 6630366 OOPMNUDJXMQQHB-UHFFFAOYSA-N 356.809 4.110 0 40 FIAB Clc1ccc2nc(-c3ccc4c(c3)OCO4)c(Br)n2c1 6740845 RVBKMHKLMGBPDX-UHFFFAOYSA-N 351.587 4.146 0 40 FIAB CN(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1Cl 6881014 MKFGQKWDYJGKKL-UHFFFAOYSA-N 356.775 4.429 0 40 FIAB CC[C@@H]1CCCCN1Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S 6996561 WUEKJCCZSBTFGT-CQSZACIVSA-N 363.483 4.112 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 7594339 TVSGHIFTPVOWFW-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 7688044 BAOPWEPYONLZGR-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB C[C@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(Cl)cc1 7718848 JQBYHQRVJUULTA-LLVKDONJSA-N 372.856 4.408 0 40 FIAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2ccccc2s1 7808627 KXKIYZJVDYBUHW-GUYCJALGSA-N 367.474 4.080 0 40 FIAB Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1C 7928647 CAKZDVGDIXSJTL-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7929291 MQKWYZDSJLFAFV-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2csc(-c3ccccc3)n2)c1 7971489 VPMVKXBARLWCMM-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB CC(C)OCc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 8338302 VTXVBECVBMRGDI-UHFFFAOYSA-N 366.505 4.006 0 40 FIAB COc1ccc(CCNC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1 8728275 ZEIQDKGUIMASMN-UHFFFAOYSA-N 371.440 4.007 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc2c(cc1Cl)OCO2 8761923 FHXXHHQUENURTQ-UHFFFAOYSA-N 354.189 4.048 0 40 FIAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)no1 8924446 LMBDDULPMHTOON-UHFFFAOYSA-N 351.406 4.333 0 40 FIAB COc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1 9164779 LWXFGEGINPYUGL-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB COc1ccc(CNC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1 9420680 OWTADDFZIQWPKQ-UHFFFAOYSA-N 363.442 4.026 0 40 FIAB Cc1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)c1 10213550 KEVYTFISBZZQCB-UHFFFAOYSA-N 364.428 4.407 0 40 FIAB COc1cc(OC)cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 10880994 HWGMCWWGAVOHEZ-UHFFFAOYSA-N 364.445 4.205 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)CCCOc2ccc(OC)cc2)cc1 11171436 ZDIALVZMZMHAIL-INIZCTEOSA-N 357.450 4.130 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1F 11185513 JFKSLOJOTNDYJB-UHFFFAOYSA-N 364.424 4.371 0 40 FIAB COc1cccc(NC(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1 11562258 OREQVRCEWSSDBT-UHFFFAOYSA-N 354.450 4.278 0 40 FIAB COc1ccc(CN(Cc2cccs2)C(=O)COc2ccccc2)cc1 11915791 WXHSTSRGRGDMLM-UHFFFAOYSA-N 367.470 4.365 0 40 FIAB CN(Cc1cccc2ccccc12)C(=O)c1nc(-c2ccc(F)cc2)no1 12389989 DZEABBHBQYYELT-UHFFFAOYSA-N 361.376 4.301 0 40 FIAB CCOc1cc(C(=O)N2CCc3ccccc32)ccc1OCc1cccnc1 12545026 LJWRLDBIJYGYTG-UHFFFAOYSA-N 374.440 4.262 0 40 FIAB O=S(=O)(c1ccccc1F)N1CCc2sccc2[C@@H]1c1ccccc1 12917246 ACEKWYDBUKOKAI-IBGZPJMESA-N 373.474 4.224 0 40 FIAB CCCc1ncc(CN(Cc2ccncc2)Cc2ccc(OC)cc2)cn1 13570271 SAMINECZFXECOL-UHFFFAOYSA-N 362.477 4.035 0 40 FIAB CCN(Cc1nc(O)c2ccc(Cl)cc2n1)Cc1cc(C)ccc1OC 14161983 KWQRDEDZWDBOBR-UHFFFAOYSA-N 371.868 4.328 0 40 FIAB NC(=O)CSc1ccccc1NCc1cc2ccccc2nc1Cl 14700605 JLQCHCFHESMDKO-UHFFFAOYSA-N 357.866 4.078 0 40 FIAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1OC 15425720 MVQNFWQXECOQGA-UHFFFAOYSA-N 361.397 4.187 0 40 FIAB C[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1nnc2ccccn12 15972948 AMRCNKISJVBATG-SNVBAGLBSA-N 356.838 4.088 0 40 FIAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCc2ccccc2C1 17321924 IPQNKDQXORCPOP-UHFFFAOYSA-N 373.452 4.229 0 40 FIAB Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(-c4ccco4)on3)[nH]c2c1 19221526 CNSZYRCXGZEKEH-INIZCTEOSA-N 362.389 4.097 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20457756 YPEKDFMSMPNAEL-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc12 24584974 TZDBPZNORVAOIM-OAHLLOKOSA-N 364.430 4.118 0 40 FIAB CCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)c1 27989273 RMHGVMCBPROFCT-GOSISDBHSA-N 358.507 4.104 0 40 FIAB O=C(CSc1noc(-c2ccccc2)n1)c1ccccc1OC(F)F 28527200 LUKOGUZZZSYUBG-UHFFFAOYSA-N 362.357 4.313 0 40 FIAB Cc1nc(C2(NC(=O)c3csc(-c4cccs4)n3)CCCCC2)no1 29059290 JZGSWTVBZDRKMY-UHFFFAOYSA-N 374.491 4.152 0 40 FIAB CCc1nnsc1N(Cc1ccccc1)c1ccc(OC)c(OC)c1 32611838 QHGFUBIHWWOVSW-UHFFFAOYSA-N 355.463 4.456 0 40 FIAB COc1ccc(NC(=O)c2c(C)noc2-c2ccc(C)cc2)c(OC)c1 35671929 QGHRHZMQSCYARH-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB O=C(Nc1ccn(-c2ccccc2)n1)c1cc(Br)ccc1F 40051538 PWOUWZFHZHXWFR-UHFFFAOYSA-N 360.186 4.026 0 40 FIAB COC(=O)c1cc(CN(C)C(=O)c2cc3ccc(C(C)C)cc3[nH]2)oc1C 48287815 JCBAVGQGKDQJMA-UHFFFAOYSA-N 368.433 4.252 0 40 FIAB Cc1cc(Br)c(O)c(C(=O)Nc2nc(C3CC3)cs2)c1 48733915 BUDAQDTWQHPSBQ-UHFFFAOYSA-N 353.241 4.049 0 40 FIAB CCN(C(=O)c1ccc(N2CCOC2=O)cc1)c1ccc2ccccc2c1 50380448 IJFZLXPKDPZSBI-UHFFFAOYSA-N 360.413 4.463 0 40 FIAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccco1)CO3 55412345 TZEWAVLKHBVSLA-UHFFFAOYSA-N 353.418 4.389 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58392699 KTKFGNIVPRIHQW-NSHDSACASA-N 374.491 4.268 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1 59133005 GDWOFFBJBBSYDI-UHFFFAOYSA-N 372.490 4.315 0 40 FIAB Cn1cc(CC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c2ccccc21 65872387 YWQIYIMPPXDNLX-IBGZPJMESA-N 350.437 4.094 0 40 FIAB CC(C)(C)c1ccc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 70639948 NKIJEAKLQTZRSB-QGZVFWFLSA-N 365.395 4.466 0 40 FIAB Cc1c(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)oc2ccccc12 72067329 SFCINGRRCLVQNO-UHFFFAOYSA-N 370.455 4.179 0 40 FIAB COC(=O)CC1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 72405638 OVUVIAXVJOFTTB-UHFFFAOYSA-N 361.825 4.015 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 89927468 YZTZSPKENDEKTI-IAGOWNOFSA-N 351.494 4.047 0 40 FIAB O=C(N[C@@H]1CCCc2occc21)C1(c2ccc(Br)cc2)CC1 97133222 KFTWNHDOVJZPJR-OAHLLOKOSA-N 360.251 4.268 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2F)s1)c1c(F)cccc1Cl 108207208 RSPOEJSQGWJIOZ-UHFFFAOYSA-N 365.792 4.313 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)C(=O)CCC2 177963763 CDIXDOAWNQPXKE-UHFFFAOYSA-N 359.429 4.260 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 222898085 NTTZIHNVKSTBOW-UTKZUKDTSA-N 355.478 4.299 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223783496 IZQJLSTYHSZFNV-GOSISDBHSA-N 355.478 4.389 0 40 FIAB Cn1c(=O)sc2cc(NC(=O)C3(c4ccccc4)CCCC3)ccc21 225069777 CEIBEYNPOYFAKU-UHFFFAOYSA-N 352.459 4.051 0 40 FIAB O=C(c1cccc2ccccc12)N1CC[C@@H](N2CCc3ccccc3C2)C1 225687039 DQUUMPGFUOQWDW-OAQYLSRUSA-N 356.469 4.113 0 40 FIAB CC(=O)c1cccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)c1 225770760 WZDSIUNCSACFCF-UHFFFAOYSA-N 357.822 4.313 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Cl)cc1 225785441 XBWLKULVJIXCAJ-LBPRGKRZSA-N 350.871 4.103 0 40 FIAB O=C(Nc1cccc(Br)c1)c1snnc1-c1cccs1 225788227 JBUTXGBQDBNOGQ-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB C[C@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 226409952 WBDLWPXLYBRVFY-XUNHBOFMSA-N 359.425 4.138 0 40 FIAB C[C@H]1[C@H](C)CCCN1C[C@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C 245227115 AOWYYPBYAPIMFX-WWMYMODYSA-N 372.553 4.166 0 40 FIAB c1cncc(-c2ccc3c([C@H]4CCCN4Cc4ccncc4)ncn3c2)c1 306144589 ZJMSPLIAZPBBRQ-HXUWFJFHSA-N 355.445 4.128 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)c1C 408708613 RFIZFULSWOJMCE-HXUWFJFHSA-N 364.489 4.096 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 409250230 MSZCUOYQWRCLIH-MDZDMXLPSA-N 351.324 4.375 0 40 FIAB Cc1ccn(-c2ccccc2NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)n1 578110241 AHDPKYNGCZMEOY-IBGZPJMESA-N 361.449 4.191 0 40 FIAB Cc1cc(OCC2CCN(C(=O)c3cc4ccccc4o3)CC2)ccn1 1775968125 JROZLXIGGJYIRY-UHFFFAOYSA-N 350.418 4.067 0 40 FIAB Cc1cc(OCC2CCN(c3cc(C(F)(F)F)ccn3)CC2)ccn1 1775995367 QPMCCWFAIIVHPK-UHFFFAOYSA-N 351.372 4.099 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3cccc(c23)C1=O 780555 HTAHOVUKIPZFQB-UHFFFAOYSA-N 367.408 4.443 0 40 FIAB CCn1c(CSc2nc(C)cc(C)n2)nnc1SCc1ccccc1 903445 LQYLGYXZAAKKRX-UHFFFAOYSA-N 371.535 4.289 0 40 FIAB CCOC(=O)C1=CNc2c(-c3ccccc3)c(C)nn2[C@@H]1c1ccccc1 981533 BHZHMAXADOCFBL-HXUWFJFHSA-N 359.429 4.320 0 40 FIAB CCOc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CC[C@@H](C)C3)cc1 1081619 HYPZGDMYIZDOTH-GFCCVEGCSA-N 372.490 4.482 0 40 FIAB Cc1ccc(C(=O)N(CC(C)C)c2nnc(-c3cccnc3)s2)cc1 1356870 IWFNCSNFKZPFIJ-UHFFFAOYSA-N 352.463 4.211 0 40 FIAB C[C@]12C[C@@H](NC(=O)N1c1cccc(Br)c1)c1ccccc1O2 2498574 JXCLGMHQCOWAKU-PBHICJAKSA-N 359.223 4.219 0 40 FIAB C[C@]12C[C@H](NC(=O)N1c1ccc(Br)cc1)c1ccccc1O2 2601936 MUNYKKGQXDJTRI-YOEHRIQHSA-N 359.223 4.219 0 40 FIAB O=C(CSc1ncnc2sccc12)Nc1ncc(Cl)cc1Cl 3252956 JHWGKNNNRIGXRC-UHFFFAOYSA-N 371.274 4.124 0 40 FIAB Cc1ccccc1-n1nnnc1SCc1cccc(C(F)(F)F)c1 3304426 AXVCBEDZGGQWGR-UHFFFAOYSA-N 350.369 4.282 0 40 FIAB O=C(NC1CCCCCC1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3326808 XCZXRPBFOKFWCI-UHFFFAOYSA-N 360.461 4.387 0 40 FIAB O=C(c1ccccc1C(F)(F)F)N1CCN(c2cccc(Cl)c2)CC1 3330484 ABCAQKKWKCIXPC-UHFFFAOYSA-N 368.786 4.321 0 40 FIAB CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)c1cccc2ccccc12 3506727 GVZSKFWCXXEFJM-UHFFFAOYSA-N 374.362 4.073 0 40 FIAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3C)ns2)c1 4167458 SYLIDYLOABBLKQ-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cccc(C)c2[nH]c1=O 4230930 KCRBTQOIYUVCLX-UHFFFAOYSA-N 368.864 4.429 0 40 FIAB CC(C)OCCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699006 KVSMBBNVTSGUDC-KRWDZBQOSA-N 362.514 4.096 0 40 FIAB O=C(COc1cccc2ccccc12)NCCSCc1ccccc1 5314627 XOXMFFYWNGPNKO-UHFFFAOYSA-N 351.471 4.268 0 40 FIAB CC[C@H](NC(=O)CSc1nnc(-c2ccccc2)o1)c1ccc(C)cc1 6054537 XRYLUAKVMXFPQB-KRWDZBQOSA-N 367.474 4.405 0 40 FIAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1nc2ccccc2s1 6101364 PNENIHZQKBRYIH-UHFFFAOYSA-N 363.225 4.399 0 40 FIAB COc1cc(OC)c(NC(=O)CSCc2cccs2)cc1Cl 6793203 UWKQLSGMVWBSNQ-UHFFFAOYSA-N 357.884 4.291 0 40 FIAB Cc1ccc(-n2c(SC[C@H]3CCCO3)nnc2-c2cccnc2)c(C)c1 6975447 KBCFWPPPGJBBFC-QGZVFWFLSA-N 366.490 4.217 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1Cc1ccco1 7043638 MYJBZYZHQYVSGN-OAQYLSRUSA-N 370.412 4.232 0 40 FIAB Clc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 7604796 IUBPSUHGKHNKDK-UHFFFAOYSA-N 369.837 4.467 0 40 FIAB COc1ccc(Cl)cc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 7945987 VASRSNJFVLNJPH-SFHVURJKSA-N 370.836 4.251 0 40 FIAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 8007475 HAHXJJLGFLQLDE-UHFFFAOYSA-N 361.445 4.074 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 8136839 LEJFGTQQZMKVTP-HNNXBMFYSA-N 350.418 4.242 0 40 FIAB O=C(CNc1ccccc1N1CCCC1=O)Nc1cccc2ccccc12 8232343 BUPKNJDRTPATQA-UHFFFAOYSA-N 359.429 4.017 0 40 FIAB Cc1c(C(=O)CN2C(=O)CC3(CCCCC3)C2=O)sc2ccccc12 8253038 ZPNAQYDMRZUUPY-UHFFFAOYSA-N 355.459 4.102 0 40 FIAB CC(C)n1c(SCc2nc3ccccc3o2)nc2ccccc2c1=O 8276133 VYTIFGQAIBWZHL-UHFFFAOYSA-N 351.431 4.411 0 40 FIAB CC[C@H](Oc1ccccc1)c1nn2c(-c3ccc(OC)cc3)nnc2s1 9227253 HNWVRHJPOZLKFH-INIZCTEOSA-N 366.446 4.392 0 40 FIAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)cc3)=NN12 10213800 BMOMVFKJPUJULF-OAQYLSRUSA-N 361.489 4.351 0 40 FIAB CCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10372371 JRPBFSVMLGAKGH-UHFFFAOYSA-N 374.506 4.024 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1)c1cccs1 11517595 YYNSLGODXUHIPS-KXBFYZLASA-N 372.534 4.391 0 40 FIAB O=C(NC1CCCC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134077 SWGFJXZUFYSFRY-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB Cc1cc(C)n2nc(C(=O)N[C@@H](c3cccs3)C(C)C)c(Cl)c2n1 12200414 LHFOKJLNNNNPDQ-CQSZACIVSA-N 362.886 4.188 0 40 FIAB C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 12538605 QIBJLTPBANXXQI-OAHLLOKOSA-N 370.522 4.328 0 40 FIAB COc1ccc(C(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c(OC)c1 12559643 KQWSVEGOZREHBV-UHFFFAOYSA-N 372.421 4.208 0 40 FIAB COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 12659707 TYAVZDOMPJDABU-OTGHWYDRSA-N 369.505 4.099 0 40 FIAB biogenic COc1ccc2c(CC(=O)NCCSc3ccc(C)cc3)coc2c1 12700637 VSGLYGTYKIWUQP-UHFFFAOYSA-N 355.459 4.201 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)c1 12762300 IVDBAFFRUUNKLP-OAHLLOKOSA-N 353.491 4.372 0 40 FIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)Nc1ccccc1F 12981222 LQUUCEXZKJEJCI-SFHVURJKSA-N 361.848 4.438 0 40 FIAB CC(C)n1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1ccco1 13956429 CUDSLFBTAJEZMC-CYBMUJFWSA-N 362.499 4.049 0 40 FIAB COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 14198368 XDAICZZRUQKXQW-YCRPNKLZSA-N 366.461 4.062 0 40 FIAB O=C(NC(=S)NNc1ccccc1)c1cccc2c(Cl)cccc12 14257603 BNYCRCKLEBSORH-UHFFFAOYSA-N 355.850 4.125 0 40 FIAB Cc1ccccc1-c1nc2c3c(C)c(C)n(Cc4ccco4)c3ncn2n1 15842205 FURLUGCXYGTZNF-UHFFFAOYSA-N 357.417 4.313 0 40 FIAB CC(C)CNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 16850123 LWJGTTWFLWFYIE-UHFFFAOYSA-N 357.401 4.220 0 40 FIAB C[C@H](C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1)n1cc(Cl)cn1 19078395 WZECZAVZNSWEII-RHSMWYFYSA-N 368.868 4.052 0 40 FIAB COc1ccc(CCNCc2ccc(-c3ccccc3F)o2)cc1OC 19872544 XLNNPTWLDVJEJG-UHFFFAOYSA-N 355.409 4.435 0 40 FIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSc3ccccc3)cc2)C1 20034847 CCZSLZUMUNPROE-GOSISDBHSA-N 368.546 4.441 0 40 FIAB Cc1cccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 20041965 PXQFDKDEEOODAH-UHFFFAOYSA-N 353.443 4.266 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1C 20196850 IAZGMAPEZXFGRD-UHFFFAOYSA-N 367.474 4.316 0 40 FIAB O=C([C@@H]1Cc2ccccc2O1)N(CCc1ccccc1)Cc1cccs1 21598442 ASXAFKKWGJLUKZ-NRFANRHFSA-N 363.482 4.323 0 40 FIAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccccc1F 21681268 VKCGQLPPEZMNLL-UHFFFAOYSA-N 367.449 4.093 0 40 FIAB O=C(CSc1ccc(F)cc1F)Nc1nc2c(s1)CCCCC2 21902251 ODDUQLPBMJNBEB-UHFFFAOYSA-N 354.447 4.421 0 40 FIAB COc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 24812764 XIWULHIOUMEWFK-NRFANRHFSA-N 374.440 4.195 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)c2)cs1 27850126 KRMRVBDEZHBRLU-NEPJUHHUSA-N 357.401 4.298 0 40 FIAB FC(F)(F)c1ccnc(Sc2nnc(-c3ccccc3Cl)o2)n1 29385274 BFNJWZIBIJNWKH-UHFFFAOYSA-N 358.732 4.350 0 40 FIAB COc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)cc1 31546802 ZCIXKEPFIKTVLA-UHFFFAOYSA-N 373.250 4.429 0 40 FIAB C[C@@H](CNC(=O)CCCc1nc(-c2cccs2)no1)c1ccccc1 32475988 PLQKNZBUBCFOGJ-AWEZNQCLSA-N 355.463 4.041 0 40 FIAB CCC(=O)Nc1ccc(C(=O)COc2ccccc2C(F)(F)F)cc1 32854433 YAXBLMKWXVMTTI-UHFFFAOYSA-N 351.324 4.316 0 40 FIAB O=C(CCSc1nc(NC2CC2)c2ccccc2n1)Nc1ccccc1 32871298 NGIVHMYLAWQPCD-UHFFFAOYSA-N 364.474 4.325 0 40 FIAB CCOc1cc(-c2nc3ccc(C)cn3c2NC[C@H]2CCCO2)ccc1O 35310778 GCJQBQONPSUVKC-MRXNPFEDSA-N 367.449 4.005 0 40 FIAB O=C(CSCc1cccs1)NCc1ccnc(Oc2ccccc2)c1 36397785 DPQXDUJZQNFKHR-UHFFFAOYSA-N 370.499 4.485 0 40 FIAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OC1CCCC1 36617138 VEMFSHAKZPSSEX-BQYQJAHWSA-N 355.228 4.267 0 40 FIAB Cc1cc(NC(=O)c2cc(C)oc2C)n(-c2nc3c(F)cccc3s2)n1 36709568 BFPJSKBDCLKILV-UHFFFAOYSA-N 370.409 4.392 0 40 FIAB COc1cccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)c1 36740490 LVYMFKOJGQBVSU-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB Cc1nc(COc2cccc(C(=O)N3CCOc4ccccc43)c2)cs1 36760866 DBWRIQJFFJBTIM-UHFFFAOYSA-N 366.442 4.070 0 40 FIAB C[C@H](c1nc2ccccc2n1Cc1ccccc1Cl)N1CCOCC1 39917077 BELXCQVBINDRAB-OAHLLOKOSA-N 355.869 4.131 0 40 FIAB Cc1nc2ccc(C(=O)N(C)Cc3c(F)cccc3Cl)cc2nc1C 39980520 XOTMUCNUWDUXMO-UHFFFAOYSA-N 357.816 4.311 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCCc1nc2ccccc2[nH]1 40049107 WPNOYGRXTKPUOP-MBOZVWFJSA-N 371.525 4.089 0 40 FIAB CC(C)(CNC(=O)Cc1cccs1)c1ccc(Br)cc1 40108391 BTDKYJUIGITWNH-UHFFFAOYSA-N 352.297 4.147 0 40 FIAB CC(C)Sc1ncccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 44488218 HGOWOKLEDJRUIG-IBGZPJMESA-N 370.518 4.168 0 40 FIAB CCOc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1Cl 44844444 ZKKQDEPPUNAXJF-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1 47267872 LFLVNYJRJJOUSB-UHFFFAOYSA-N 372.222 4.141 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C3CC3)[C@H](C)C3CC3)c12 47449082 PWUFSDNFFAIVFM-OAHLLOKOSA-N 374.488 4.347 0 40 FIAB COc1cc(NC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1NC(C)=O 48386201 DCPFPYCFODEGMI-GFCCVEGCSA-N 367.405 4.283 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCC(COCc2ccccc2)CC1 49028646 LKKVHDGYQYQEHG-UHFFFAOYSA-N 366.417 4.004 0 40 FIAB CCCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 51787012 PTZQRAOXCSRLAE-UHFFFAOYSA-N 370.268 4.039 0 40 FIAB COc1cccc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)c1 52526071 SAGYBJIQSGSAIB-UHFFFAOYSA-N 358.488 4.461 0 40 FIAB O=C(NCc1ccccn1)N1CCc2sccc2[C@H]1c1cccs1 57768722 AETYWJDJAPDBGH-KRWDZBQOSA-N 355.488 4.062 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 59227216 QYFOOOQYPWQOOS-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB CCc1ccccc1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63897485 QPAMSXQQICRXRK-UHFFFAOYSA-N 350.418 4.484 0 40 FIAB O=C1COc2ccc(Cl)cc2CN1Cc1cccc(Br)c1 65184388 SOSCIMMSHHFBJG-UHFFFAOYSA-N 366.642 4.024 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1cccs1 69117142 OWVCUPVZJSZZBN-CQSZACIVSA-N 359.476 4.187 0 40 FIAB O=C(CSc1nc2ccccc2o1)Nc1ccnn1C1CCCCC1 70685327 UAZAYBGKWINHAL-UHFFFAOYSA-N 356.451 4.260 0 40 FIAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 72358625 PLKLQMSICLMUGZ-OAQYLSRUSA-N 371.484 4.401 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCC[C@H](O)c1cccc2ccccc12 77116975 IYUFACWFJITNRV-FQEVSTJZSA-N 369.848 4.112 0 40 FIAB Cc1cccc(-c2noc(CNC(=O)c3ccccc3SC(C)C)n2)c1 78579824 IUIYEPHGSGCGDZ-UHFFFAOYSA-N 367.474 4.476 0 40 FIAB Cc1ccc(NC(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1 84155145 GPPSWYDEOMIVRI-ROUUACIJSA-N 351.494 4.273 0 40 FIAB O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)C1(c2ccccc2F)CC1 89813351 HIOJZERMPYINLW-MRXNPFEDSA-N 368.235 4.014 0 40 FIAB O=C(NC1CCCCCC1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 96232552 DHLHQHCEZRLMOU-UHFFFAOYSA-N 374.868 4.060 0 40 FIAB COc1ccc2nc(NC(=O)[C@]34CC[C@@](C)(C(=O)C3)C4(C)C)sc2c1 100867292 SUQVCRMGXKGOGN-OALUTQOASA-N 358.463 4.029 0 40 FIAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1 100948807 UHPFMGZMAVKYRF-QCFAMHMHSA-N 363.457 4.267 0 40 FIAB Cc1cc(OCC(=O)n2c(C)c(C(=O)O)c3ccccc32)ccc1Cl 216750448 ICCAYRXIEMSDOT-UHFFFAOYSA-N 357.793 4.329 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)s1 223972745 MADKLDXDLPGIQQ-LLVKDONJSA-N 351.497 4.180 0 40 FIAB Cc1ccc(OCCNC(=O)CCc2ccccc2Cl)cc1Cl 224173379 QFDPDFUBBLDCBN-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1cccc(OC)c1 224584551 CHDVPWLTLICRNS-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224950023 TYTQVMSTWZXROZ-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 225265569 LJGZBLNOCKQDQC-LBPRGKRZSA-N 351.497 4.061 0 40 FIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225622712 DFEBPPGMRODSPQ-NRFANRHFSA-N 362.514 4.085 0 40 FIAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)N1CCCCCC1 225768188 LYPMRZQZGUWFBY-UHFFFAOYSA-N 367.449 4.355 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccc(F)cc1 225780349 UMNMCIBKIOZROC-UHFFFAOYSA-N 363.801 4.259 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 225876546 PNGTYNRCLROODD-UHFFFAOYSA-N 374.868 4.211 0 40 FIAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(F)cc2)n1 225949174 PVEXMCACJBLXPA-UHFFFAOYSA-N 368.437 4.203 0 40 FIAB COC1CCN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)CC1 245171775 XUQIIVGIAQUTEK-UHFFFAOYSA-N 362.832 4.347 0 40 FIAB Fc1ccccc1CN1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 257329400 XJVKBVZKACJWOK-QGZVFWFLSA-N 363.440 4.134 0 40 FIAB CC1(C)OC(c2ccc(OCC(=O)NC3CCCCC3)cc2)OC1(C)C 514269790 VMMWCGMNYLZZBU-UHFFFAOYSA-N 361.482 4.117 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2nc(O)[nH]c12 552386554 VQFRCINWIHIBOC-UHFFFAOYSA-N 368.780 4.138 0 40 FIAB CCC[C@@]1(CO)CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C1 585083912 BQXPAQZZSGRCEQ-LJQANCHMSA-N 364.942 4.372 0 40 FIAB COc1ccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1OC 710397 YMGPHEYUQFYBQR-GZTJUZNOSA-N 351.402 4.172 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)o1 915414 YPODFJCVENATAH-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cccc2C)c1 1343074 YLLLHMVQQMJMOT-GOSISDBHSA-N 351.450 4.247 0 40 FIAB COc1cccc2c1OCC(C(=O)Nc1ccc(Cl)c(Cl)c1)=C2 1391479 GLNCDAOZHZODBS-UHFFFAOYSA-N 350.201 4.417 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)cc1 1517332 XROMGDHSPBFYRQ-SFHVURJKSA-N 373.250 4.155 0 40 FIAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(F)cc1 2468250 LAXIVXPFOJXRKH-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccccc2)CCCC1 2505927 YPMASFUXJCDKEU-UHFFFAOYSA-N 362.517 4.279 0 40 FIAB CN(C)C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3192662 AICNPCABIMNBQK-QGZVFWFLSA-N 354.277 4.022 0 40 FIAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1c(Cl)cccc1Cl 3480492 XJOAVEISJJVFBW-INIZCTEOSA-N 363.244 4.047 0 40 FIAB Cc1ccc(-n2c(S[C@@H]3CCCC3=O)nnc2-c2ccncc2)cc1C 3569174 VDZWQQUYOSBJLO-GOSISDBHSA-N 364.474 4.160 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)o1 3602675 MPBNQAXBWGPWSO-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COc1cc2occc2c(OC)c1C1=NN(C(C)=O)[C@H](c2ccccc2)C1 3851093 ITCXAELLRAXQOY-KRWDZBQOSA-N 364.401 4.148 0 40 FIAB biogenic Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1 3896505 CYMPFUZGTYKCGB-UHFFFAOYSA-N 358.401 4.220 0 40 FIAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 4275373 RFMKVTNSAKXNAA-UHFFFAOYSA-N 352.415 4.142 0 40 FIAB CC(C)(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2 4723318 ORBDDHZLPXHMHV-UHFFFAOYSA-N 373.836 4.327 0 40 FIAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccoc1C 4860465 JVPRFFFOXKATGD-UHFFFAOYSA-N 370.478 4.214 0 40 FIAB Cc1nc2cc(-c3cccc(F)c3)nn2c(NCC(C)(C)CN(C)C)c1C 4980199 KBCRRWOQPQPYCP-UHFFFAOYSA-N 369.488 4.152 0 40 FIAB CCc1c(C)nc2cc(-c3cccs3)nn2c1NCCCN(CC)CC 4980834 RVIJBCOZZQHURV-UHFFFAOYSA-N 371.554 4.472 0 40 FIAB CC(=O)CCSc1nnc(COc2ccccc2C)n1-c1ccccc1 5109162 AFDZPRHLRAHGEN-UHFFFAOYSA-N 367.474 4.226 0 40 FIAB COc1ccc2c(C(=O)CN3CCC(Cc4ccccc4)CC3)c[nH]c2c1 5156295 BVMMGXUPQXGQGU-UHFFFAOYSA-N 362.473 4.314 0 40 FIAB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccc(Cl)c1 5186855 WMBJPIBGPIPDKQ-ACUNGTFPSA-N 352.865 4.367 0 40 FIAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)n1C 5209793 MDXBNNMWGQYXLM-LBPRGKRZSA-N 373.428 4.432 0 40 FIAB CN(C)c1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 5334215 GKQRQRVZWMZJNS-SXGWCWSVSA-N 361.228 4.404 0 40 FIAB C=C1c2cc3c(cc2CCN1C(=O)c1cc(SC)ccc1Cl)OCO3 5351650 SHORHUIQMYGMLT-UHFFFAOYSA-N 373.861 4.460 0 40 FIAB COc1ccc(-c2cc(C(=O)NCC(C)C)c3ccccc3n2)c(OC)c1 5384291 OXWVGQLBLHEEOC-UHFFFAOYSA-N 364.445 4.305 0 40 FIAB CCc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2OC)cc1 6082069 AJEZKRHKQTXDMN-AWEZNQCLSA-N 367.474 4.202 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccccc2s1 6113365 OGNNPDJLBHBUDR-GFCCVEGCSA-N 355.415 4.094 0 40 FIAB CC(C)N(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)C(C)C 6358227 VOTSECRFIBCVLY-UHFFFAOYSA-N 367.445 4.113 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 6376864 WWFWXGJWBBEDBA-GFCCVEGCSA-N 362.223 4.058 0 40 FIAB COc1ccc2c(CC(=O)OCc3cc(Cl)c4c(c3)OCO4)coc2c1 6608018 NPUITFZEOUZRRT-UHFFFAOYSA-N 374.776 4.109 0 40 FIAB CN(CC(=O)NCC12CC3CC(CC(C3)C1)C2)Cc1ccccc1Cl 6639139 SRENOBAKDQNZAC-UHFFFAOYSA-N 360.929 4.104 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccccc1F 6753251 HDAOTUGHPGIWFU-HXUWFJFHSA-N 365.408 4.185 0 40 FIAB O=C(CSc1nnc(C2CC2)o1)N[C@@H](c1ccccc1)c1cccs1 7290293 OJSWYBVBAQHZTB-INIZCTEOSA-N 371.487 4.006 0 40 FIAB COc1cccc(NC(=S)NCCSc2ccc(Cl)cc2)c1 7369097 RYUAAEXXWAFHTO-UHFFFAOYSA-N 352.912 4.427 0 40 FIAB COc1cc(C)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C(C)C 7616244 GFPYAIKISKRMHH-UHFFFAOYSA-N 372.490 4.331 0 40 FIAB O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1cccc(F)c1 7794923 RNERCTWDNGLOJI-UHFFFAOYSA-N 362.817 4.142 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c(C)c1 8041551 GEDKUHPFXQGJEI-KRWDZBQOSA-N 368.477 4.095 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8062007 WRVBDNXPWOFWCC-HXUWFJFHSA-N 359.853 4.167 0 40 FIAB COc1cc(CNC(=O)Cc2ccc3ccccc3c2)ccc1OC(F)F 8127617 NSCSRVFWEYTUBW-UHFFFAOYSA-N 371.383 4.309 0 40 FIAB Cc1ccc(-c2nn3c(COc4ccc(F)cc4)nnc3s2)cc1C 8393311 OFQDQKJMNXTWLE-UHFFFAOYSA-N 354.410 4.188 0 40 FIAB COc1c(C)cccc1C(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 8570693 XQKXLWVIAYXGNZ-UHFFFAOYSA-N 363.461 4.197 0 40 FIAB CCOC(=O)c1ccc2nc(C)c(CN(C)C3CCCCC3)c(O)c2c1 8714124 FVRQZOGMDMYCSI-UHFFFAOYSA-N 356.466 4.190 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 11636462 RTSPVFGARVWWKW-OAHLLOKOSA-N 371.433 4.058 0 40 FIAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 11709491 SWYDDYPSNCSNJI-HZPDHXFCSA-N 353.462 4.219 0 40 FIAB CC[C@H](C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134113 BKGHSZULQDBVBU-KRWDZBQOSA-N 352.478 4.003 0 40 FIAB COc1ccc(CC(=O)Nc2cccc(C(=O)N(C)c3ccccc3)c2)cc1 12404152 LBBFQWDXGZYJFR-UHFFFAOYSA-N 374.440 4.153 0 40 FIAB COc1ccc(Cn2nccc2NC(=O)c2oc3ccccc3c2C)cc1 12407351 DBZJAGMARWDSIT-UHFFFAOYSA-N 361.401 4.247 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2ccco2)cc1 12593266 JVTDOYPTJDDCTJ-UHFFFAOYSA-N 371.440 4.413 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)OCCCO2)C12CC3CC(CC(C3)C1)C2 12747989 OCSDXFJDKURACD-HIGJEIRPSA-N 355.478 4.183 0 40 FIAB CCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 12863622 RIRWSMOSEHHGOG-UHFFFAOYSA-N 359.473 4.116 0 40 FIAB O=C(CC1(C(=O)O)CCCCC1)Nc1ccc2c(c1)nc1n2CCCCC1 13467346 UXKDDZHWKBMQAY-UHFFFAOYSA-N 369.465 4.126 0 40 FIAB Cn1c(C2CCN(C(=S)Nc3cccc(F)c3)CC2)nc2ccccc21 13727146 JDOUWMKHODXUKM-UHFFFAOYSA-N 368.481 4.289 0 40 FIAB CS(=O)(=O)c1cccc(NC(=O)c2sccc2-c2ccccc2)c1 14118617 CAZVRIUJBBEDLD-UHFFFAOYSA-N 357.456 4.071 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 14428446 PGMWDFUDOQGFFY-ZDUSSCGKSA-N 369.490 4.218 0 40 FIAB O=C1C[C@H](C(=O)Nc2cccc(C3SCCS3)c2)c2ccccc2N1 14528120 QNVCRIOHQVXQQG-HNNXBMFYSA-N 370.499 4.230 0 40 FIAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14664090 YOTZNHAEHNPHJQ-UHFFFAOYSA-N 354.450 4.254 0 40 FIAB C[C@@]12C[C@@H](NC(=S)N1CCc1ccccc1)c1cc(Cl)ccc1O2 15861327 IMIIMGPJQHJNMC-VQIMIIECSA-N 358.894 4.313 0 40 FIAB CC(=O)c1c(C)oc2c(C)cc(NS(=O)(=O)c3ccc(F)cc3)cc12 16779595 YBRGJOATBAHWAT-UHFFFAOYSA-N 361.394 4.192 0 40 FIAB CC(C)(Br)C(=O)Nc1nc2ccc(N3CCCC3)cc2s1 20133257 OEEJBZXPUDBQJW-UHFFFAOYSA-N 368.300 4.009 0 40 FIAB NC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 20238854 HQPIOJSONPAWIC-UHFFFAOYSA-N 362.454 4.330 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1cccc(Cl)c1 20461047 ONESPQPJKIGFOC-PKOBYXMFSA-N 366.933 4.268 0 40 FIAB Clc1ccc(-c2nn3c([C@H]4CCCO4)nnc3c3ccccc23)cc1 20745109 GSCGNXJLAPSJEI-MRXNPFEDSA-N 350.809 4.449 0 40 FIAB Cc1nc(COc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cs1 20887004 MAFGGDPGAPZYGJ-UHFFFAOYSA-N 364.470 4.229 0 40 FIAB COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)cc1 23657901 KNVFYPUMMWPUOW-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)c1cc(C2CC2)nc2ccccc12 24736485 NYRLPXIDPPKVJU-UHFFFAOYSA-N 356.385 4.415 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)Nc3nc4c(s3)CCC4)s2)cc1 25768708 PKQRDOUAEMRJGY-UHFFFAOYSA-N 371.487 4.325 0 40 FIAB COc1cc(CN[C@H](c2ccccc2)c2nccn2C)ccc1OC(C)C 30643182 JWTREWYPWIXUFE-OAQYLSRUSA-N 365.477 4.095 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1occc1-c1ccccc1)CC2 31239973 XWGZJTYERKHUOU-UHFFFAOYSA-N 363.413 4.162 0 40 FIAB Clc1ccc2[nH]c(SCc3nc(Cc4ccccc4)no3)nc2c1 31645873 LFKHCEYZOFZZNT-UHFFFAOYSA-N 356.838 4.482 0 40 FIAB CCCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12 31903891 SCWYRCINTRZCDL-UHFFFAOYSA-N 361.507 4.439 0 40 FIAB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2F)c1)c1ccncc1 31965416 XVHKLEDKABTOSP-UHFFFAOYSA-N 369.783 4.379 0 40 FIAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32104506 XQVJURYWSAFXFB-UHFFFAOYSA-N 354.837 4.391 0 40 FIAB Cc1c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)sc2cccc(F)c12 32739230 ZYZRWVBJHRUOBH-UHFFFAOYSA-N 356.422 4.303 0 40 FIAB CCOc1ncccc1C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 32772710 WKIQYXWKPJDCCG-INIZCTEOSA-N 367.474 4.457 0 40 FIAB Cc1cc(C)n2ncc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)c2n1 32818771 NIMCCWQAMHDLCA-UHFFFAOYSA-N 363.421 4.037 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)NCc1ccccc1OC(F)(F)F 32848162 COMALZPMXYAPBX-UHFFFAOYSA-N 369.314 4.004 0 40 FIAB Cc1ccc2c(C(=O)[C@H](C)N3CCN(c4ccccc4)CC3)c(C)[nH]c2c1 34688898 FIKFMUQWOJOROL-SFHVURJKSA-N 361.489 4.178 0 40 FIAB CC(C)CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 40128627 OSGOTMHFILSZDD-OAHLLOKOSA-N 358.507 4.233 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)C1CCCCC1 41095080 AKXREYRLABQHQU-UHFFFAOYSA-N 359.919 4.390 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)c1 44902332 HXFMEMJLCJNFHV-LJQANCHMSA-N 355.434 4.276 0 40 FIAB Ic1ccc(OCc2ccc3ncccc3c2)cc1 48022358 GGXWGIKQVRYBIQ-UHFFFAOYSA-N 361.182 4.418 0 40 FIAB in-vitro O=C(NCc1cccc(Br)c1)c1ccc(Br)cc1 55460417 RWUXIXJFBQYOSV-UHFFFAOYSA-N 369.056 4.142 0 40 FIAB COc1cc(CNC2CCN(Cc3ccccc3)CC2)cc(Cl)c1OC 57869493 RALJKPPXOGVXIV-UHFFFAOYSA-N 374.912 4.111 0 40 FIAB O=C(NC1(c2ccc(F)cc2)CCC1)c1ccc(N2CCCCC2=O)cc1 63338432 ASGHSYVLZZPDSE-UHFFFAOYSA-N 366.436 4.152 0 40 FIAB COc1ccc(N(C)C(=O)c2ccc(C3SCCCS3)cc2)cn1 65741258 VEUCMIJJBCOEMF-UHFFFAOYSA-N 360.504 4.236 0 40 FIAB O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1c1ccc(Cl)c(Cl)c1 67341327 HBDFCADZVRQNLN-HNNXBMFYSA-N 363.269 4.052 0 40 FIAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)ccc1OC(F)F 71282785 QPRBVYZWUFJDBY-NSHDSACASA-N 351.353 4.198 0 40 FIAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN2C(=O)CC(C)C)n1 72383708 ARHWSBFMOFPOGQ-AWEZNQCLSA-N 359.499 4.003 0 40 FIAB CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414299 BNIXPCRLQOYMOI-UHFFFAOYSA-N 356.447 4.051 0 40 FIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1cccnc1Cl 79478674 BXQWIGGKORXRNZ-UHFFFAOYSA-N 366.764 4.124 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc(Cl)c3)C2)cc1OC 95116651 GMGWGQSBOONPCX-QGZVFWFLSA-N 358.825 4.055 0 40 FIAB CCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1 96154637 PEMLVAJMRDYDFN-UHFFFAOYSA-N 370.478 4.034 0 40 FIAB O=C(Oc1ccccc1OC(=O)C1[C@@H]2CCCC[C@@H]12)C1[C@H]2CCCC[C@H]12 100101730 MKXWCSWNXSFVPC-RUPPMWDTSA-N 354.446 4.370 0 40 FIAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cccs2)C3)cc1 100425212 OUFFAGFIHVQTGR-RTBURBONSA-N 354.519 4.372 0 40 FIAB CC(C)(C)OC(=O)NC1(c2noc(-c3cc(Cl)c(Cl)[nH]3)n2)CCC1 113727949 CWXMHQDBRKFKFZ-UHFFFAOYSA-N 373.240 4.275 0 40 FIAB O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@H](c2ccc(F)cc2)C1 206874614 OTBXYIYQCRNEKR-IBGZPJMESA-N 363.436 4.421 0 40 FIAB COc1cccc(O[C@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219308819 CMXBFYGBIGWCAD-QGZVFWFLSA-N 355.478 4.335 0 40 FIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222914308 ICDMRHAUGZVGNE-QZTJIDSGSA-N 356.539 4.267 0 40 FIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 224342167 XNPRBOJGBKSHFF-VQTJNVASSA-N 362.502 4.160 0 40 FIAB Cc1ccc(C(=O)NC(C(C)C)C(C)C)c(I)c1 225012836 ZJKRWDNEMTVDBT-UHFFFAOYSA-N 359.251 4.010 0 40 FIAB Nc1cc(Br)ccc1NC(=O)CSc1ccc(Cl)cc1 226359592 VMDJTLUBVAYEGC-UHFFFAOYSA-N 371.687 4.416 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(O)c3c(C)csc3n2)c(C)c1 408594715 AIFDAKJNFBZKFF-UHFFFAOYSA-N 359.476 4.053 0 40 FIAB Cc1ccccc1OCC(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 408627828 OCZQZZWJCFGORM-UHFFFAOYSA-N 372.424 4.498 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 408628223 RALLEPHGMUAELG-MRXNPFEDSA-N 367.518 4.121 0 40 FIAB Cc1cccc(C)c1NC(=O)COc1ccc(C(=S)N2CCCC2)cc1 409248273 OVPWGZNSGJSUSG-UHFFFAOYSA-N 368.502 4.092 0 40 FIAB O=C(c1ncccc1O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 511319193 IYYAQIYRNVWBNC-UHFFFAOYSA-N 373.865 4.070 0 40 FIAB Cc1nn(-c2ccccc2F)cc1CN1CC2(CCC2)[C@H]1C1CCOCC1 656264800 SNCMMSXUYZSMRA-OAQYLSRUSA-N 369.484 4.101 0 40 FIAB C[C@H](C(=O)N1C[C@@H](C)Oc2ncccc21)c1ccccc1C(F)(F)F 677046068 YAAVXAHGGODCTE-NEPJUHHUSA-N 350.340 4.018 0 40 FIAB Cc1cnc([C@H](C)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)o1 678462603 JAQSUAAHTGHJCP-DZGCQCFKSA-N 356.401 4.113 0 40 FIAB C=CC(=O)Nc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 1139208835 HPCBMYFXBALSJE-LEWJYISDSA-N 356.425 4.250 0 40 FIAB Cc1ccc([C@H](O)[C@H](C)NC(=O)c2[nH]c3ccc(C)cc3c2Cl)cc1 1332467480 ZVGNANBZHIVQBC-ORAYPTAESA-N 356.853 4.290 0 40 FIAB CCOC(=O)c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 683205 KKOMHVGIQQCFOP-UHFFFAOYSA-N 356.418 4.389 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861391 OAXAJLFDFKKHHC-IBGZPJMESA-N 366.417 4.058 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 869037 QOGJRRYNWWRWDA-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccccc1C)CC(=O)N2 1509695 KFSBGLHOYZSYCD-HSZRJFAPSA-N 370.452 4.487 0 40 FIAB COc1cc(/C=C/C(=O)OCc2ccccc2Cl)cc(OC)c1OC 1948824 HQNHZMKBTNLLHJ-CMDGGOBGSA-N 362.809 4.122 0 40 FIAB CCOc1ccc(C(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)cc1 2245000 SOHZJLKHJTXUBR-UHFFFAOYSA-N 360.417 4.081 0 40 FIAB COc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 2685813 JCMGAXSQIBOSJA-AEFFLSMTSA-N 357.494 4.083 0 40 FIAB COc1ccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 2723087 AMWJOHFZGHDYIH-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB COc1ccc(/C=C/c2nc3sc4c(c3c(=O)o2)CCCC4)cc1OC 4158710 CPASSKIODTZLDY-CSKARUKUSA-N 369.442 4.316 0 40 FIAB CNc1oc(/C=C/c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 4159968 BQMNPMVOIPVKFN-KPKJPENVSA-N 374.849 4.373 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1C 4356259 NXQNGJCHNZULJU-KRWDZBQOSA-N 351.450 4.186 0 40 FIAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](/C=C\c2ccccc2)N3)C1 4554021 XTRMRGJJTCELAK-XZVRFQMRSA-N 353.491 4.284 0 40 FIAB COc1ccc(CCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 6505083 CDNDJFBNEZQPCN-HXUWFJFHSA-N 351.450 4.018 0 40 FIAB CCN1CCC[C@H]1CNc1nc(-c2cccnc2)nc2sc(C)c(C)c12 6510555 HAEJEBUTPRAEQA-INIZCTEOSA-N 367.522 4.266 0 40 FIAB Fc1ccc(-c2nnc(SC[C@H]3CCCO3)n2Cc2ccccc2)cc1 6602714 ABBLXVWNEDJDEJ-GOSISDBHSA-N 369.465 4.404 0 40 FIAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCO2 6610387 RBRVKVPNSBMYCT-UHFFFAOYSA-N 357.362 4.035 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 6628322 LMNJMSMJFWYIEL-UHFFFAOYSA-N 353.447 4.216 0 40 FIAB COc1ccc(C2=Nc3ccc(OC)cc3C(c3ccccc3)=NN2)cc1 6973413 IURPRYZPHDQMEN-UHFFFAOYSA-N 357.413 4.138 0 40 FIAB O=C(Cc1cccs1)Nc1nnc(SCc2ccccc2F)s1 7389043 DHVLKPPVUVBTKH-UHFFFAOYSA-N 365.480 4.212 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(C)c3c(n2)CCCC3)c(Cl)c1 8040387 NFMYHFRWEQSRHW-UHFFFAOYSA-N 361.898 4.356 0 40 FIAB CN(CCc1ccccn1)C(=O)c1cc(-c2ccco2)nc2ccccc12 8132790 JJOCAOPBQQHPSD-UHFFFAOYSA-N 357.413 4.205 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)Cc2ncc(-c3ccccc3)o2)c(C)c1 8202986 JZNLPAHYDLOEIP-UHFFFAOYSA-N 363.461 4.337 0 40 FIAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)o2)cc1 8428915 KBLCXLGJWPTSRP-ZDUSSCGKSA-N 354.431 4.499 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2[nH]1 8719698 OSTNHYQAPHNGJE-UHFFFAOYSA-N 351.884 4.029 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CCCC3)cc21 8959761 SEGFJFZPLLKEIV-UHFFFAOYSA-N 358.482 4.223 0 40 FIAB COc1ccc(OC)c(CC(=O)Nc2ccccc2Cc2ccccc2)c1 8985425 VCXDNONLKKZDIM-UHFFFAOYSA-N 361.441 4.476 0 40 FIAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl 8992688 IYJVZACNELGFLQ-UHFFFAOYSA-N 369.852 4.245 0 40 FIAB O=C(OCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)c1cccs1 9576785 MUCPQCADILSADQ-UHFFFAOYSA-N 368.439 4.070 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1cccc(Cl)c1 10447729 IFDITYXFRCLLJY-LBPRGKRZSA-N 356.857 4.465 0 40 FIAB CC(=O)c1csc(NC(=O)c2cccc(-n3nc(C)c(Cl)c3C)c2)n1 12198199 CTOVQFZOHUERLF-UHFFFAOYSA-N 374.853 4.054 0 40 FIAB CC(C)CC[C@H](C)NC(=O)c1ccccc1OCc1cn2ccccc2n1 12520463 BSDOOHUKUFNSRA-KRWDZBQOSA-N 365.477 4.468 0 40 FIAB CCCc1cc(OC(=O)CCc2ccccc2)n(-c2nc3ccccc3[nH]2)n1 13639582 ZJGBRSDWMQFIKY-UHFFFAOYSA-N 374.444 4.239 0 40 FIAB Cc1nc(SCC(=O)c2ccc(Br)cc2)nc2c1CCC2 14137277 VGDNKLCUNHAAGP-UHFFFAOYSA-N 363.280 4.011 0 40 FIAB CN(C(=O)C1=Cc2cc(Br)ccc2OC=C1)c1ccccc1 15838623 OFZVQNGWCNENDV-UHFFFAOYSA-N 356.219 4.402 0 40 FIAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)s1 19796577 CMDSSAHCEABXLD-JTQLQIEISA-N 373.478 4.213 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)O)c3n2)cc1C 20616852 CUFRZNDCMRBVTK-UHFFFAOYSA-N 363.339 4.127 0 40 FIAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc(Cl)s1 22011268 KQCANTNGQNSLNK-LLVKDONJSA-N 374.901 4.105 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)NC3CCCCCC3)c2C1 23732642 KYCRMUXROFNCID-UHFFFAOYSA-N 351.494 4.065 0 40 FIAB C[C@@H](c1cccs1)N(C)C(=O)CCc1nc(-c2ccc(F)cc2)no1 24236886 HDUTYKZOHDOTBW-LBPRGKRZSA-N 359.426 4.089 0 40 FIAB Cc1nc(CSc2nc3ccccc3c(=O)n2CCC(C)C)cs1 24783668 HXEUDVOEHWUCDA-UHFFFAOYSA-N 359.520 4.500 0 40 FIAB CCc1ccc(-c2nnc3c4cnn(-c5cccc(C)c5)c4ncn23)cc1 27795860 MJAXWWKYACQJCA-UHFFFAOYSA-N 354.417 4.001 0 40 FIAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1ccc2nc(O)oc2c1 28248162 IURXDMTXIOZRFH-UHFFFAOYSA-N 366.398 4.001 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(C)c(C)c3)s2)cc1 28287678 DTOWBIMYKGHARX-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB CCc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1 37385919 VLHAZDSAGTVPGX-UHFFFAOYSA-N 354.269 4.121 0 40 FIAB CSc1ncccc1C(=O)NCc1cccnc1Oc1cccc(F)c1 40094202 CICAGVQCQWJYBU-UHFFFAOYSA-N 369.421 4.060 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1cccc(Cl)c1Cl)c1ccsc1 40097538 WTWCTYJXNUTQSH-CYBMUJFWSA-N 358.294 4.479 0 40 FIAB O=C(CCn1ccc2cc(Br)ccc21)NCCc1ccccc1 41105497 OCFABTGCBYNOAW-UHFFFAOYSA-N 371.278 4.153 0 40 FIAB C[C@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)c2ccccc21 41968540 QSPDYKNCXYNFKQ-LBPRGKRZSA-N 350.340 4.177 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccc[nH]2)C[C@H]1c1ccc2nccnc2c1 58047342 GUTBXLUJGADJFV-SFHVURJKSA-N 373.441 4.011 0 40 FIAB Cc1nc(NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)oc1C 65776456 YSRXHOYTIXNWSP-UHFFFAOYSA-N 368.418 4.483 0 40 FIAB COc1ccc2oc(/C=C/C(=O)Nc3ccc(NC(C)=O)cc3)cc2c1 67339522 DMABHLRNWLSYJE-CSKARUKUSA-N 350.374 4.052 0 40 FIAB Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(Br)cc1 80053652 VCYCQMMBVNNUPN-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB O=c1c(Cl)c(N[C@@H]2CCCc3ccccc32)cnn1Cc1ccccc1 84544512 OVVBZGHCIUANFV-GOSISDBHSA-N 365.864 4.435 0 40 FIAB C[C@@H](c1ccc(F)cc1F)N1CCC(c2nc(-c3ccccn3)no2)CC1 84651671 QAIVNQZZFORLMB-ZDUSSCGKSA-N 370.403 4.350 0 40 FIAB Fc1ccc(C2(NCc3ccc(F)c4cccnc34)CCOCC2)cc1 95953321 QEPUAPLQVPFHKC-UHFFFAOYSA-N 354.400 4.309 0 40 FIAB CC[C@@](CNC(=O)c1cc(Br)cs1)(OC)c1ccccc1 96123742 OXUJCMAFICECHG-INIZCTEOSA-N 368.296 4.192 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccc2ncccc2c1 96222290 CKSMHIYNKSTNOR-INIZCTEOSA-N 357.365 4.091 0 40 FIAB biogenic Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102794508 PMFUBIXVSYKVSG-MTNOOBJLSA-N 369.509 4.177 0 40 FIAB CC1(C)CCCN(C(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)C1 112681204 KIFFAWXKGNFRDH-UHFFFAOYSA-N 368.399 4.094 0 40 FIAB COC(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 216944950 CIRBFRJMIVHHGI-BQYQJAHWSA-N 351.185 4.399 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(F)cc1 224461654 SZXLPHZYZXJARP-OAQYLSRUSA-N 367.420 4.332 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(C)cc3)o2)c(OC)c1 224866294 GPUJEYFLXNKOBP-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cn1 225932677 ZPQIOSXKQUMRIZ-UHFFFAOYSA-N 374.868 4.209 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cn1 225945099 FVQXFRJXRTWPNJ-UHFFFAOYSA-N 368.433 4.048 0 40 FIAB CSc1ccccc1C(=O)NCCn1nc(C)c(-c2ccccc2)c1C 238870538 MUGRVDAEFMAYQP-UHFFFAOYSA-N 365.502 4.319 0 40 FIAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C)cc4)OCC[C@@]31C2 257212591 CECRXKQFPJJXFS-XLQGDHTPSA-N 371.521 4.030 0 40 FIAB O=C1S/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1c1ccccc1 408962449 SGGQQOOEPUZCHA-QGOAFFKASA-N 362.410 4.424 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2N1c1ccc(F)cc1 1615153663 CJSQRFOBAAHHGD-BEFAXECRSA-N 372.509 4.336 0 40 FIAB C[C@H](c1ccccc1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775975521 JFTCKYBUSHFDAP-CYBMUJFWSA-N 351.372 4.100 0 40 FIAB CCOC(=O)CSc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 667951 YHSPSUXNGZYUNO-UHFFFAOYSA-N 373.503 4.082 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 707851 CKERHCWQZTXFQK-OAQYLSRUSA-N 374.396 4.195 0 40 FIAB Cc1ccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)nc1 1056209 CLRCMLAYSUSULK-UHFFFAOYSA-N 366.368 4.161 0 40 FIAB O=C(NCc1ccc(C(=O)NC2CCCCC2)cc1)OCc1ccccc1 1392877 SXRPJTUDBDXTSW-UHFFFAOYSA-N 366.461 4.176 0 40 FIAB O=C1[C@@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=O)N1c1ccc(F)cc1 1443396 CMDSZHUGNGVCHB-HOCLYGCPSA-N 362.813 4.062 0 40 FIAB CCc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)c(C)c2oc1=O 2146666 LWYHXGDMMAYKSJ-UHFFFAOYSA-N 366.413 4.243 0 40 FIAB biogenic CN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 2404831 UPIGYNWMLRYHHJ-SFHVURJKSA-N 365.404 4.405 0 40 FIAB COc1ccc(C(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)cc1OC 2644798 OJHYXEDNJXCIDI-UHFFFAOYSA-N 350.418 4.316 0 40 FIAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)[C@H]2C[C@H]2C)cc1 3226718 ZVNSJFQAGZCZAL-UZLBHIALSA-N 366.461 4.371 0 40 FIAB CCCn1c(NC(=O)CSc2nc3ccccc3o2)nc2ccccc21 3414102 WWGMEAMURVHIOT-UHFFFAOYSA-N 366.446 4.318 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1Cl 3497242 BZQFCYDAMQKYSN-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COC(=O)[C@@H]1CC[C@](C)(C(O)(c2ccccc2)c2ccccc2)OC1(C)C 3845823 UININOSXDBGDQN-SIKLNZKXSA-N 368.473 4.059 0 40 FIAB biogenic O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1cccc(F)c1 4078314 MSNSGWBLYOIJHC-UHFFFAOYSA-N 363.414 4.361 0 40 FIAB COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCc1cccs1)CC2 4222629 FHJGAJDXEJUKBD-GOEBONIOSA-N 357.519 4.431 0 40 FIAB biogenic,in-vitro COc1ccc(/C=C/C(=O)n2c(SC)nc3ccccc32)cc1OC 4275653 MKSYZAUUGFXDHI-PKNBQFBNSA-N 354.431 4.129 0 40 FIAB CCCCCCn1nc(C(=O)OCc2ccccc2)c2ccccc2c1=O 4362091 ZTQGCTXGPIDERT-UHFFFAOYSA-N 364.445 4.334 0 40 FIAB C[C@H]1CCCN(c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)C1 5026031 WPFNXORLJCNXLU-AWEZNQCLSA-N 353.853 4.275 0 40 FIAB COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1N1CCCCC1=O 5441939 HYSRLGQYPRQESM-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB Cc1ccccc1NC(=O)[C@]1(c2ccccc2)CC(=O)N1c1ccccc1 5482803 OCDHBCKPJJKINU-HSZRJFAPSA-N 356.425 4.266 0 40 FIAB C[C@@H](O[P@](C)(=O)Oc1ccc(NC(=O)CCC(=O)O)cc1)C(C)(C)C 5532129 NWUFPMJLZOWRPY-YDBLSZJJSA-N 371.370 4.143 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)NCc1cccc(Cl)c1 6084194 GLAGIOKMKCMZGK-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB Cc1c(CC(=O)NC2CC2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 6623881 JCRXKFDOHJVROJ-UHFFFAOYSA-N 373.408 4.336 0 40 FIAB biogenic O=C(Nc1nc(-c2cccnc2)cs1)c1cc(F)c(F)c(F)c1F 6822374 JELRWENXKQEZCW-UHFFFAOYSA-N 353.300 4.014 0 40 FIAB Fc1ccc(-n2c(SC[C@H]3CCCO3)nnc2-c2ccccc2)cc1 6831683 FUILZIMGQSLHKL-QGZVFWFLSA-N 355.438 4.345 0 40 FIAB Cn1c(SCCOc2ccccc2)nc2sc3c(c2c1=O)CCCC3 7006691 ZPYKVXVJYYIJPU-UHFFFAOYSA-N 372.515 4.045 0 40 FIAB C=C1c2ccccc2N=C(SCC(=O)Nc2cc(C)ccc2OC)N1C 7734793 YWDPEEGRMJXTRX-UHFFFAOYSA-N 367.474 4.279 0 40 FIAB COc1ccc(-n2ccnc2SCc2cn3cc(C)ccc3n2)cc1 8705063 HDOLFSABHKNFPM-UHFFFAOYSA-N 350.447 4.129 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1 8774525 DXGSGBDBJXLHJJ-CQSZACIVSA-N 352.459 4.239 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 8884481 XUACCGOLYZWZGE-UHFFFAOYSA-N 361.854 4.173 0 40 FIAB Cc1ccccc1[C@H]1CC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C1 8992447 BQNAWKDCWXZCIS-QGZVFWFLSA-N 368.440 4.321 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cc3ccccc3cc2O)CC1 10445226 VIWFEAQOUOQKAJ-UHFFFAOYSA-N 374.440 4.036 0 40 FIAB Cc1ccc(-c2cnc(CCC(=O)OCc3nc4ccccc4o3)o2)cc1 11646254 LNZOOEPXGONDJG-UHFFFAOYSA-N 362.385 4.467 0 40 FIAB Cc1nc(C)c(C(=O)Nc2ccc(SCc3ccc(F)cc3)nn2)s1 11792329 NUHFYOKESMCYLW-UHFFFAOYSA-N 374.466 4.234 0 40 FIAB C[C@@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1 12148106 ADRGOTOXLFDIDK-CQSZACIVSA-N 362.458 4.037 0 40 FIAB Cc1nn(CCC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 12162171 USNVHTQNRMTAQB-SQOUVECCSA-N 365.521 4.287 0 40 FIAB Cn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cn1 12186582 IRLXDISLUDWTHL-LJQANCHMSA-N 354.429 4.332 0 40 FIAB C[C@H]1CN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C[C@H](C)O1 12529818 IFBSCKMRQCJRDC-HOTGVXAUSA-N 369.896 4.347 0 40 FIAB CC(C)c1ccccc1OCC(=O)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12531935 QVOYUTUNDDQRFQ-IBGZPJMESA-N 363.461 4.012 0 40 FIAB COc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1OC 12768106 XOWIOASYHZKNSR-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12793398 PRACALHMSNYDCH-IBGZPJMESA-N 367.445 4.222 0 40 FIAB Cc1ccc(NC(=O)c2c(C)nc(Nc3nc(C)c(C)s3)nc2C)cc1 13610745 QAMHARUWTGXNSO-UHFFFAOYSA-N 367.478 4.471 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(OC)cc1Cl 14397848 OBNPDRWUZONIKO-JTQLQIEISA-N 370.232 4.417 0 40 FIAB COc1ccc(-c2nnc3sc(/C=C/c4ccc(F)cc4)nn23)cc1 15083125 ALPOVKAPSDMEDA-NYYWCZLTSA-N 352.394 4.171 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)s2)cc1 15574272 PPAVXLVYDYDHTA-ZDUSSCGKSA-N 366.280 4.497 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3C)c2C)cc1C 15673814 WJNNXNQTJRJWGH-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)NC1CCCCCC1 15711166 GXRBESWOVWWIIQ-LLVKDONJSA-N 358.265 4.378 0 40 FIAB CO[C@@H](C(=O)NCCSCc1c(F)cccc1Cl)c1ccccc1 16194325 YTRAFTUZTNOMRR-QGZVFWFLSA-N 367.873 4.216 0 40 FIAB O=c1[nH]nc(SCc2cccc(Cl)c2)n2nc(-c3cccs3)cc12 16844021 SVVHJPIGZDWYJC-UHFFFAOYSA-N 374.878 4.092 0 40 FIAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3ccc(F)cc3)C2)on1 19120769 GOOBZLIUBIRQTG-CQSZACIVSA-N 358.442 4.020 0 40 FIAB CCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)CCC2 19532555 VIODNHPGFPCDGT-GHTZIAJQSA-N 354.494 4.371 0 40 FIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)CCc1ccc(F)cc1 19561092 AUZLKNBOJCAVND-ZDUSSCGKSA-N 369.465 4.404 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 20455223 FWTYBJUHECYAHR-GJZGRUSLSA-N 359.491 4.452 0 40 FIAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1ccccc1Cl 20508060 YTDZOJYDLJRJBZ-UHFFFAOYSA-N 360.772 4.289 0 40 FIAB Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20612033 GWVBNSALROYORS-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CNC(=O)[C@H](C)Sc1nc(Nc2ccccc2Cl)c2ccccc2n1 21733640 GLNSJNIZURWEKE-NSHDSACASA-N 372.881 4.253 0 40 FIAB Cc1cc(-c2csc(NC3CC3)n2)c(C)n1NC(=O)c1ccccc1 21908631 OBFVWEUAVCQWIL-UHFFFAOYSA-N 352.463 4.187 0 40 FIAB c1ccc2c(CN3CCN(Cc4nc5ccccc5o4)CC3)cccc2c1 22785783 JDCNBPAVPVIWEP-UHFFFAOYSA-N 357.457 4.299 0 40 FIAB COc1ccc(Cc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1OC 23624779 PRJHHGDKPVPFFX-UHFFFAOYSA-N 368.458 4.377 0 40 FIAB CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 23717455 MUZUFGGXSVSZKJ-UHFFFAOYSA-N 352.478 4.069 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1ccccc1 23773927 XHQXYURPMGUQOD-ACBHZAAOSA-N 353.510 4.478 0 40 FIAB C[C@H](N[C@H](C)c1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12 26983668 VYZIFOCSZBHJBG-OLZOCXBDSA-N 355.388 4.191 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccccn2)cc1C 27664302 HUKTWWMOHHUVSU-UHFFFAOYSA-N 352.459 4.372 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2ccn(Cc3ccccc3)n2)ccc1Cl 28247212 YZBOODJVDMAEBJ-OAHLLOKOSA-N 369.852 4.299 0 40 FIAB Cc1cc(Br)cc(C)c1OCC(=O)N[C@@H](C)c1cccs1 28284419 CYFZCELNOXZSKJ-LBPRGKRZSA-N 368.296 4.384 0 40 FIAB CCOc1ccc(C(=O)CSc2noc(Cc3ccccc3)n2)cc1 28527335 ABGCSIVSYDPVKJ-UHFFFAOYSA-N 354.431 4.034 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(Br)cc1F 31968526 YGNMCZNMKXHCLC-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1cccc(Cl)c1 32719641 XAQKGYNSMMTONF-UHFFFAOYSA-N 360.822 4.363 0 40 FIAB CC(=O)Nc1ccc(OC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 32744475 XJELBCQCDACFNW-UHFFFAOYSA-N 356.378 4.127 0 40 FIAB Cc1nn2c(nc(NC[C@H](c3ccco3)N(C)C)c3ccccc32)c1Cl 32837508 OYQLLYOAYPVMMI-OAHLLOKOSA-N 369.856 4.152 0 40 FIAB COC(=O)c1ccoc1COC(=O)c1cc2c(s1)-c1ccccc1OC2 32895824 CJZVCTIXSANMFQ-UHFFFAOYSA-N 370.382 4.044 0 40 FIAB CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@H](C)c2ccccn2)cc1 47599145 BKSSGNWAFQSAMV-MRXNPFEDSA-N 368.481 4.227 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(N2CCCCCC2)nc1 48252320 MCZAMHYVNBTAQR-UHFFFAOYSA-N 373.884 4.054 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n1 54661645 VUCKHKUQECVPAU-QGZVFWFLSA-N 363.417 4.190 0 40 FIAB CC[C@H](c1ccccc1)c1nn2c(CN3CCCCCC3)nnc2s1 57524624 DORQFYSYCRNZKB-MRXNPFEDSA-N 355.511 4.104 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 69516026 NQZZTEGGPDWMPQ-HNNXBMFYSA-N 370.518 4.475 0 40 FIAB C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCCCC1)[C@@H]1CCCO1 72271651 WEZKUOMREPTIOA-PBHICJAKSA-N 350.890 4.366 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349082 SUGRLGPORIUGOU-KRWDZBQOSA-N 361.420 4.303 0 40 FIAB Brc1ccc(-c2ccnc3nc(-c4cccs4)nn23)cc1 72451426 QZCLHTKCXHMKTL-UHFFFAOYSA-N 357.236 4.282 0 40 FIAB FC(F)(F)c1cccc(-c2noc(-c3ccc(-n4cncn4)cc3)n2)c1 74120294 QEWWUHMSKKOHIJ-UHFFFAOYSA-N 357.295 4.003 0 40 FIAB Fc1ccc(OC[C@H]2CCCO2)c(NCc2noc(-c3ccccc3)n2)c1 75103472 SIPWXKOUEVWBPZ-MRXNPFEDSA-N 369.396 4.046 0 40 FIAB CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C)c3ccccc32)c1 97015501 MXWAULSJAMUCJW-GFCCVEGCSA-N 363.866 4.245 0 40 FIAB Cc1cc([C@H](c2cccc(C(F)(F)F)c2)c2[nH]c(C)cc2C)c(=O)[nH]n1 199782953 VOTWHZVWNRRIPS-INIZCTEOSA-N 361.367 4.222 0 40 FIAB COc1ccc(C(=O)N2CCS[C@@H](c3cccs3)CC2)cc1F 219519470 CQAFSMFCHJFFAJ-MRXNPFEDSA-N 351.468 4.216 0 40 FIAB CCCCCOC(=O)COC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 224060230 NLHGUTBJTNEMNA-OAHLLOKOSA-N 358.434 4.229 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1cc(C)cc(C)c1 224091756 YBUYMTKUWKTDCA-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2CC)cc1 224420368 PLQHXLPXBWMTET-QGZVFWFLSA-N 355.478 4.164 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)N[C@H](C)CC 225281048 SZTZMCJBFFBPEN-OLZOCXBDSA-N 373.324 4.425 0 40 FIAB O=C(CCc1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 228932206 BBODHEKUOAPDJJ-UHFFFAOYSA-N 374.278 4.101 0 40 FIAB CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1cccc(Cl)c1Cl 299857319 MWQLCEBZYXHOAC-CYBMUJFWSA-N 359.278 4.194 0 40 FIAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2C)c1 408614581 DXSHRBKTIYVHHO-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)c2cc3ccccc3s2)c2ccco2)n1 585148061 DNKVYEDMQXRFIX-MRXNPFEDSA-N 365.458 4.327 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccncc3)CC2)o1 585177738 VXDDESDSRHECGC-UHFFFAOYSA-N 362.429 4.419 0 40 FIAB C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 607204881 UQTMQPYCIIVEIS-NXEZZACHSA-N 354.332 4.018 0 40 FIAB CCc1cc(Nc2cccc(CC[C@@H](O)c3ccccc3)c2)n2ncnc2n1 727829988 XXTUEDWLAWJMGK-HXUWFJFHSA-N 373.460 4.097 0 40 FIAB COc1cc(C(=O)Nc2ccccc2CC[C@H]2CCCCN2C)ccc1O 597290 LBYXPDAENJSHDD-GOSISDBHSA-N 368.477 4.070 0 40 FIAB in-man COc1ccc(C(=O)Oc2ccc(C(=S)N3CCCCC3)cc2)cc1 866267 BKUBIJGKFBWMGQ-UHFFFAOYSA-N 355.459 4.076 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(C)c1 870489 OCXIJDWRDIVGNJ-UHFFFAOYSA-N 352.463 4.004 0 40 FIAB COc1ccc(C(=O)NCCc2c(C)[nH]c3c(Cl)cccc23)cc1OC 1075063 DKTGAOACMHIWJV-UHFFFAOYSA-N 372.852 4.119 0 40 FIAB biogenic,in-vitro COc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1377873 ZUXJTOIUGBYYCU-IRXDYDNUSA-N 370.518 4.072 0 40 FIAB CCn1cc(CC[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c2ccccc21 1411017 HGWOZBRFCZNAMX-OAHLLOKOSA-N 374.481 4.100 0 40 FIAB Cc1ccccc1NC(=O)c1ccc(OC(=S)N2CCCCC2)cc1 1445243 CQFHQWRKSBGHQP-UHFFFAOYSA-N 354.475 4.397 0 40 FIAB Cc1ccc(-c2cc(-c3cc(-c4ccc(C)cc4)nc(N)n3)nc(N)n2)cc1 1588367 QFDCEWDJLAPJSD-UHFFFAOYSA-N 368.444 4.049 0 40 FIAB CC(C)c1nnc(SCc2c(Cl)ccc(Cl)c2Cl)n1N 1807364 ACSMRSKWZSPLNO-UHFFFAOYSA-N 351.690 4.368 0 40 FIAB CCCCn1nc(NC(=O)CC(C)C)c2cc3cc(OC)ccc3nc21 2423312 HGYCJJZBAHLZOR-UHFFFAOYSA-N 354.454 4.378 0 40 FIAB O=c1c2c(nc(SCc3cccc(F)c3)n1-c1ccccc1)CCS2 2459457 ZAQQSQUWZNMVRB-UHFFFAOYSA-N 370.474 4.312 0 40 FIAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)C1 2767425 HRXWOQMFFZXASA-ZDUSSCGKSA-N 371.506 4.035 0 40 FIAB Fc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c(F)c1 2797080 GJTMXWCBMVQUKL-UHFFFAOYSA-N 372.400 4.075 0 40 FIAB COc1cc(SC)ccc1C(=O)OCC(=O)c1c(C)cc(C)cc1C 3332103 WMFDLKIIFLBKNA-UHFFFAOYSA-N 358.459 4.382 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc(C)cs1 3411155 ZSEDXXYRQMLHTP-UHFFFAOYSA-N 350.509 4.488 0 40 FIAB COc1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1 3894176 ZXVSMULWVXLCBL-UHFFFAOYSA-N 357.417 4.390 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc(C)c1C 4088515 YRRSLXIZIXPWGX-UHFFFAOYSA-N 360.460 4.404 0 40 FIAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 4554958 NQAYNPPBQDGBJQ-GOSISDBHSA-N 363.866 4.009 0 40 FIAB O=C(O)C[C@@H](NC(=O)c1cccc(F)c1)c1ccc(OC2CCCC2)cc1 4686128 OZSVTRJKXXKNBO-LJQANCHMSA-N 371.408 4.093 0 40 FIAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NCCC1=CCCCC1 5017501 JHUYWNVZQFDLRT-GFCCVEGCSA-N 362.524 4.021 0 40 FIAB C[C@@H]1CCCN(c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)C1 5026030 WPFNXORLJCNXLU-CQSZACIVSA-N 353.853 4.275 0 40 FIAB O=C(COc1ccc2ccccc2c1)OCc1cc(Cl)c2c(c1)OCO2 5279804 CXLGJCBGZWZSNF-UHFFFAOYSA-N 370.788 4.344 0 40 FIAB O=S(=O)(c1ccccc1)[C@@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1 5722013 QWDDSJFANYSBPX-LEWJYISDSA-N 365.454 4.370 0 40 FIAB Cc1nc2nc(-c3ccccc3)nn2c(N2CCCC2)c1Cc1ccccc1 6755247 YTAYAVROWKTNQA-UHFFFAOYSA-N 369.472 4.291 0 40 FIAB Cc1ccnc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6815336 YPUVTRXSYNFOKT-UHFFFAOYSA-N 365.458 4.394 0 40 FIAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 6959446 YWVVBIPZHNXQLU-UHFFFAOYSA-N 361.825 4.186 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)o1 7196054 WPWLPOGUESEYQC-UHFFFAOYSA-N 357.435 4.366 0 40 FIAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)C1=Cc2ccccc2OC1 7641738 DAFOYJJCJOYXOS-UHFFFAOYSA-N 372.804 4.021 0 40 FIAB O=C(O)CCc1ccc(-c2ccccc2)n1CCOc1ccc(F)cc1 8381687 XLPWUADZXQYAKG-UHFFFAOYSA-N 353.393 4.390 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCCC2 8562933 QSXMHRMEIFIGMR-UHFFFAOYSA-N 373.474 4.453 0 40 FIAB CCCCc1ccc(NC(=O)Cn2c([C@H](C)O)nc3ccccc32)cc1 8628209 MWMDUVBJEPVDCL-HNNXBMFYSA-N 351.450 4.071 0 40 FIAB COc1cccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1 9531294 BDCWAHCLAQZOCF-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 11246880 MEGPJJSWAPUTJK-SFHVURJKSA-N 366.852 4.199 0 40 FIAB O=C(O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c(C(=O)O)c1 11565695 PXMMIWKQFNVFRO-UHFFFAOYSA-N 361.353 4.002 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 11637306 GSFQNEGAERYPNK-LJQANCHMSA-N 355.434 4.276 0 40 FIAB Cc1ccccc1CN(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 11660679 DGZWRLZQMLAPLP-QGZVFWFLSA-N 374.893 4.110 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccco1 11667162 DUVZXKOXNCYEKC-UHFFFAOYSA-N 365.820 4.261 0 40 FIAB CC[C@H](C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccccc1 12115016 UEEUZEVBQVDJBV-LPHOPBHVSA-N 369.415 4.098 0 40 FIAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCc1ccccc1 12808131 PSGMFRVXFSGYHE-UHFFFAOYSA-N 370.449 4.142 0 40 FIAB CSc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 15017358 RZTOKFQILFGJHR-HNNXBMFYSA-N 362.292 4.474 0 40 FIAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(Cl)c1 15880941 CQEDGLKCJZGUER-UHFFFAOYSA-N 371.849 4.230 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3cc(C)c(OC)cc3C)cs2)cn1 19666631 CBCOXRAARGNKNG-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 20455711 REECVXRLMLLRKA-KGLIPLIRSA-N 374.868 4.274 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20456184 KLSPEBMQUZDKHE-MRXNPFEDSA-N 365.502 4.286 0 40 FIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1F 20611101 RVPCNKPTBRILKD-UHFFFAOYSA-N 364.355 4.259 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCC2)o1 21659757 ZYXOWQOAAJEENY-IBGZPJMESA-N 354.494 4.452 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCSCc2ccccc2)cc1OC 22524446 RQWFHGVGHUXNJU-HNNXBMFYSA-N 359.491 4.205 0 40 FIAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(C3CC3)on2)c1 25613887 LGBIXRNNSWWUTL-UHFFFAOYSA-N 362.389 4.448 0 40 FIAB CC(C)Nc1nc(NC(C)C)nc(SCc2ccc(Cl)cc2)n1 27517165 YPKUQAMGFMXJEV-UHFFFAOYSA-N 351.907 4.458 0 40 FIAB O=C(c1cccc2cccnc12)N1CCC(c2nc3ccccc3[nH]2)CC1 31176174 DMRJDTSVKUSMQP-UHFFFAOYSA-N 356.429 4.131 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CCCc1nnc(-c2ccccc2)o1 32487568 SCROBMDPQKOEAS-KRWDZBQOSA-N 363.461 4.197 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)c3csc4c3CCCC4)nc2C1 32913556 AKIBUHTXEUWYDC-UHFFFAOYSA-N 360.504 4.491 0 40 FIAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCCO3)CC2 33462748 KOPMUJLOULOYAL-KAMYIIQDSA-N 359.381 4.191 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc4ncccc4c3)nc2C1 35315735 UEUKWXKBOBMYSO-UHFFFAOYSA-N 351.431 4.099 0 40 FIAB O=C([C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCCC1 40073303 QGWFYXVVSGDZRT-INIZCTEOSA-N 369.292 4.001 0 40 FIAB Cn1ccnc1COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 40135168 KOOAEGULWYNZCF-NYYWCZLTSA-N 367.836 4.304 0 40 FIAB Cc1nc2ccc(C(=O)NCc3cccc(COC(C)C)c3)cc2nc1C 49153445 CEHDPCSBROJMNJ-UHFFFAOYSA-N 363.461 4.102 0 40 FIAB Cc1cc(=O)oc2cc(NC(=O)c3cnc(-c4ccccc4)s3)ccc12 49574324 OOTFWJOIIBFHSO-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1(c2ccccc2)CCC1 53473340 JIDZDWHQMRLJLD-NRFANRHFSA-N 360.457 4.146 0 40 FIAB Cc1ccc(-n2c(S[C@@H](C)c3cccnc3)nc3ccccc3c2=O)nc1 57858244 LPJWVCKFEIELNP-HNNXBMFYSA-N 374.469 4.337 0 40 FIAB O=C(Cc1ccc(Br)cc1)N[C@@H](c1ccccc1)c1ccco1 57977158 CMVLSUJOGVLSEI-IBGZPJMESA-N 370.246 4.490 0 40 FIAB CCN(Cc1csc(C2CCCC2)n1)Cc1nc2ccccc2c(=O)[nH]1 58192398 BMFUUHFTCYJIGN-UHFFFAOYSA-N 368.506 4.059 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)N(C1CC1)[C@@H]1CCc2ccccc21 58316613 GWPWXKSGZVRQQQ-HXUWFJFHSA-N 373.456 4.348 0 40 FIAB COCc1c(C(=O)Nc2nnc(C(F)F)s2)sc2cccc(F)c12 65515754 PLBHTHOOZAIYGO-UHFFFAOYSA-N 373.381 4.228 0 40 FIAB O=C([C@H]1C[C@@H]1c1ccccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 72271166 VBOKXXCIUDYJMR-MSOLQXFVSA-N 361.420 4.121 0 40 FIAB CC[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)c1cnn(CC)c1 75104812 FYGYQVYFXPZHKE-HNNXBMFYSA-N 374.533 4.425 0 40 FIAB Cc1ccccc1[C@H](NC(=O)CCCNC(=O)c1ccsc1)C(C)(C)C 79024989 DXXKKVANNKQEQG-IBGZPJMESA-N 372.534 4.470 0 40 FIAB CC(C)CCOc1ccc(C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)cc1 79104861 HYCLGPNZENOKMN-NQIIRXRSSA-N 369.505 4.396 0 40 FIAB Cn1c([C@H]2CCCCN2C(=O)CCNc2ccccc2)nc2ccccc21 95361102 UQWRRYTXWHOYTC-HXUWFJFHSA-N 362.477 4.129 0 40 FIAB COc1ccc(-c2csc3ncnc(NC[C@H](O)c4ccco4)c23)cc1 95949191 NQZZOIRBNNKZMY-HNNXBMFYSA-N 367.430 4.105 0 40 FIAB COc1ccc(CN2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)cc1 96058323 CKXBSFGJFQZXCA-VABKMULXSA-N 350.506 4.306 0 40 FIAB CO[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1C 96105021 CZYFWWQVEZEDND-INIZCTEOSA-N 353.340 4.011 0 40 FIAB OC1(Cc2c[nH]c3ccccc23)CCC(O)(Cc2c[nH]c3ccccc23)CC1 96509972 KKCAJHYNHQFDOG-UHFFFAOYSA-N 374.484 4.471 0 40 FIAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O 101275733 YFDUAJKWLCCNRC-OAHLLOKOSA-N 363.244 4.300 0 40 FIAB COc1cc(C[C@@H]2C(=O)Nc3cc(Cl)ccc32)ccc1OC(F)F 101695017 IOMWPIYIPLZEEZ-LBPRGKRZSA-N 353.752 4.228 0 40 FIAB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102680387 CYFLSBXSZFQLJJ-BFUOFWGJSA-N 364.380 4.384 0 40 FIAB Cc1ccc(C2(C(=O)NCc3nc(C(C)(C)C)cs3)CCOCC2)cc1 110719123 QBHRZFSFPNHUAA-UHFFFAOYSA-N 372.534 4.114 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1C 223621918 LQHNFWQFTJKLJJ-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SC)s1 223959989 BTFFCUXMWKESQD-CQSZACIVSA-N 359.476 4.209 0 40 FIAB COc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)cn1 224007843 GZHVSVYRUIKVST-UHFFFAOYSA-N 373.497 4.418 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(F)cc1)CC(C)(C)O2 224735047 SNJKGSCFVTWDJJ-GOSISDBHSA-N 357.425 4.186 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)ccc1F 224913872 MOOKKNNYEDUNGK-MOPGFXCFSA-N 366.465 4.045 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(C)c(C)c1 225569247 CEMGMNHDXHRXAD-SFHVURJKSA-N 361.507 4.358 0 40 FIAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c(C)c1 225945250 LXDDHOSGPIEJFN-UHFFFAOYSA-N 353.418 4.183 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)c1 226243142 ZXKWWVLYWDWGHQ-UHFFFAOYSA-N 364.239 4.097 0 40 FIAB COC1CCN(c2ccc(C(=O)Nc3cccc(SC)c3)cc2)CC1 244983909 IXHRTLSDYJEYRM-UHFFFAOYSA-N 356.491 4.276 0 40 FIAB O=C(NC1CCCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257222127 DSAQWKAZKKOGTK-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257296602 RDMYYEFPDCQHNV-SFHVURJKSA-N 367.836 4.291 0 40 FIAB Cn1ccc2c1CN(C(=O)c1cccs1)Cc1cn(-c3ccccc3)nc1-2 306134147 NEJVHVJHGXMVBR-UHFFFAOYSA-N 374.469 4.095 0 40 FIAB CC(C)CCN(C(=O)c1cccc(N2CCCNC2=O)c1)C1CCCC1 331591105 KMZWMVTZCYNLIL-UHFFFAOYSA-N 357.498 4.037 0 40 FIAB O=C(O)Cc1sc(=Nc2cccc(Cl)c2)[nH]c1-c1cccs1 408887167 OQIOIQXVUQWXCC-UHFFFAOYSA-N 350.852 4.318 0 40 FIAB c1ccc(CSCc2nnc3sc(COc4ccccc4)nn23)cc1 1501040018 WSADKPXFOFDQHU-UHFFFAOYSA-N 368.487 4.198 0 40 FIAB O=C(NCc1ccccn1)c1csc(Nc2cccc3ccccc23)n1 819410 HMJCXAPEHQVGQY-UHFFFAOYSA-N 360.442 4.365 0 40 FIAB CCOc1ccc2nc(SCC(=O)NCc3ccccc3)c(C)cc2c1 915642 FJAZVULNHYFMSW-UHFFFAOYSA-N 366.486 4.350 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1)OCO3 929871 AQFVIQOXYIXBBZ-UHFFFAOYSA-N 352.415 4.003 0 40 FIAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2158699 GHBABYDCQLXLTJ-RTBURBONSA-N 371.502 4.224 0 40 FIAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccc(C)cc4)C3=O)ccc2c1 2618618 BBARZKQYGRPKPZ-QHCPKHFHSA-N 374.440 4.124 0 40 FIAB CCOc1ccc2nc(NC(=O)CCc3ccc(OC)cc3)sc2c1 2654309 GCDBJJYZDNVAAF-UHFFFAOYSA-N 356.447 4.275 0 40 FIAB Cc1cc(C)nc(SCc2nnc(SC(C)C)n2-c2ccccc2)n1 2706272 NKTOJMGARBNNBX-UHFFFAOYSA-N 371.535 4.467 0 40 FIAB COc1cccc(-c2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)c1 2930946 BDEYVAJPDUBWBW-UHFFFAOYSA-N 372.384 4.060 0 40 FIAB CCN(C(=O)COC(=O)c1cc(SC)ccc1Cl)c1ccccc1 3254546 AILVXLHIJLONTH-UHFFFAOYSA-N 363.866 4.272 0 40 FIAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccccc2C(C)(C)C)c1 3452356 SHOFPHQGQWJXNT-UHFFFAOYSA-N 367.449 4.153 0 40 FIAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl 4564714 NUGAOFROEINVLJ-MFOYZWKCSA-N 364.228 4.214 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4816523 POFJLWVSMWIQDD-PMACEKPBSA-N 358.445 4.064 0 40 FIAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nncs2)cs1 5054451 PNJYLTNPGUCPTN-UHFFFAOYSA-N 362.505 4.280 0 40 FIAB O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 5256143 MUUKTSNLXQBRKQ-KRWDZBQOSA-N 359.401 4.465 0 40 FIAB CCc1ccc(NC(=O)c2ccc(I)cc2)cc1 5674361 CWUYXALGJSGBJJ-UHFFFAOYSA-N 351.187 4.106 0 40 FIAB CC(=O)c1cccc(NC(=O)COc2ccccc2Cc2ccccc2)c1 5678223 SHOJMXQUYAYVSB-UHFFFAOYSA-N 359.425 4.498 0 40 FIAB C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)N(C)CCOc1ccc(Cl)cc1 5937504 IIRZJOFYZXMERQ-HOTGVXAUSA-N 372.896 4.017 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 6063681 ZBXVUDGCEYKWPR-UHFFFAOYSA-N 361.869 4.347 0 40 FIAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Br)o1 6222089 NPFRPDCSECUMAW-UHFFFAOYSA-N 355.238 4.479 0 40 FIAB O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)Sc2ccccc21 6496335 SQUNBRGWMWWBIE-MHWRWJLKSA-N 359.428 4.009 0 40 FIAB CCCCCn1nc(C(=O)Nc2cc(C)cc(C)c2)c2ccccc2c1=O 6507689 XMTZTQQKLKVPCT-UHFFFAOYSA-N 363.461 4.456 0 40 FIAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nn12 6861516 ZREVNFDAGXEYET-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc2ccccc2c1 7211894 OUJGYYZSSNPDSU-MRXNPFEDSA-N 373.456 4.040 0 40 FIAB O=C(O)/C(=C/c1ccncc1)Sc1nnc(-c2ccc(Cl)cc2)o1 7365572 DDDZHNIIPMNSLA-LCYFTJDESA-N 359.794 4.003 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574160 DOYGUNCJURIAOY-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C(NCc1ccccc1Cl)c1ccc(Cl)cc1N1CCCC1=O 7952276 IZUFEMWVGDSOLQ-UHFFFAOYSA-N 363.244 4.050 0 40 FIAB COc1ccccc1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 8211070 GMHXEDRDHCPPDG-NSHDSACASA-N 353.249 4.291 0 40 FIAB O=C(COc1ccccc1-c1ccccc1)Nc1ccnn1Cc1ccco1 8325084 ATHLFAHJLDKMJU-UHFFFAOYSA-N 373.412 4.209 0 40 FIAB COc1ccc(OC)c(COC(=O)c2nc(-c3ccccc3)oc2C)c1 8559245 UFVPIQICFUZVAW-UHFFFAOYSA-N 353.374 4.024 0 40 FIAB Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NCc1ccccc1 8770541 IXHSNSIWQFBTOR-UHFFFAOYSA-N 366.446 4.026 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)CCn1c(=O)oc2ccccc21 8942320 CYRWPLLGAMVAFQ-UHFFFAOYSA-N 372.852 4.402 0 40 FIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1 9196627 WHGHQEWDNDWVBF-UHFFFAOYSA-N 359.788 4.491 0 40 FIAB CCn1c(NC(=O)CCCOc2ccc(C(C)=O)cc2)nc2ccccc21 9376276 ICLSZAAPGIWTFG-UHFFFAOYSA-N 365.433 4.057 0 40 FIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc2cccnc12 10022755 YGQSRXLYKXIHID-UHFFFAOYSA-N 351.494 4.153 0 40 FIAB Cc1cccnc1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10056631 IJTOPLMAXKBYSQ-LJQANCHMSA-N 358.397 4.097 0 40 FIAB c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)nc1 10215113 RPADLWXOSKURJV-AVRDEDQJSA-N 371.396 4.053 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCSc2ccccc21 10449061 QNOBBWINKJNKEV-QGZVFWFLSA-N 366.490 4.288 0 40 FIAB O=C(COc1ccc(F)cc1)N1CC=C(c2c[nH]c3ccccc23)CC1 11073900 PETXMNADJJUHII-UHFFFAOYSA-N 350.393 4.002 0 40 FIAB CCn1ncc(C(=O)N2CCCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)c1C 12221299 HMPZLVAJFKQTJG-LJQANCHMSA-N 365.481 4.072 0 40 FIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1cccc(F)c1)C3 12222214 KLRKTNAYCBGAQC-UHFFFAOYSA-N 352.365 4.287 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 12509343 UFWZQULGJXSDFN-UHFFFAOYSA-N 351.431 4.081 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 12615678 RBQXIRQQYPYPEL-UHFFFAOYSA-N 368.820 4.458 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c(F)c1 12780538 GIZFXDKNBZRTRO-CSKARUKUSA-N 366.436 4.025 0 40 FIAB Cc1[nH]c2ccc(C(=O)NCc3ccc(NC(=O)C4CC4)cc3)cc2c1C 12923852 PCUBXONVRVOMTL-UHFFFAOYSA-N 361.445 4.063 0 40 FIAB CC[C@H](C)OC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 13151938 ATVQCPSTHQBYQA-NAMMAZKUSA-N 352.430 4.226 0 40 FIAB CC1(C)C[C@@]2(C[C@H](c3ccc(F)cc3)c3ccc(O)cc3O2)N=C(S)N1 13658225 ANOXBSSEJWHJMV-UZLBHIALSA-N 372.465 4.200 0 40 FIAB CN(C)c1ccc(C(=S)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 13732037 NARLOZLSWIVTBB-UHFFFAOYSA-N 374.937 4.065 0 40 FIAB CCOc1cccc(CNCc2c(C)nn(-c3ccccc3)c2C)c1OC 17318846 BPHRHAZXHSKXIA-UHFFFAOYSA-N 365.477 4.186 0 40 FIAB O=C(Nc1ccc2ccccc2c1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 18193248 MZAHLYSLQKUHHS-HXUWFJFHSA-N 373.412 4.139 0 40 FIAB CCOc1ccc([C@H](C)N(C)C(=O)[C@H](C)Cn2cnc3ccccc32)cc1 19532622 FCSJXIVRCFKQBY-SJORKVTESA-N 365.477 4.291 0 40 FIAB CC(C)[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1cccs1 21494745 BCVLGHQEKDKWHT-SFHVURJKSA-N 355.463 4.244 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 23296423 MIDYKQZQCVDKBW-UHFFFAOYSA-N 354.406 4.016 0 40 FIAB Cc1c(N)ccc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c1C 24927141 SOXOCESBHQNEDY-MRXNPFEDSA-N 352.381 4.294 0 40 FIAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1Cl 24972393 OGZVVDYUPXDACM-UHFFFAOYSA-N 370.840 4.068 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 30274156 ULGJOASCTCBATJ-STQMWFEESA-N 356.491 4.322 0 40 FIAB Cc1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)n1C(C)C 32778057 OUNPLSBFRAOSJO-UHFFFAOYSA-N 350.466 4.144 0 40 FIAB CC[C@@H](NC(=O)c1ccc2cc(OC)ccc2n1)c1ccc(OC)cc1 32868850 MBBLOOAJANJMEE-GOSISDBHSA-N 350.418 4.133 0 40 FIAB C[C@@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1Br 32932179 XVHMNZJWVMHGPG-CYBMUJFWSA-N 370.250 4.126 0 40 FIAB O=C1CCSc2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2N1 32976320 BQZUNIMWWZKWED-UHFFFAOYSA-N 373.434 4.122 0 40 FIAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2cc(F)ccc2[nH]1 33064207 UOXKHYIAWKTTKU-UHFFFAOYSA-N 370.449 4.102 0 40 FIAB Cc1ccc2nc(C3CCN(C(=O)Nc4ccccc4F)CC3)[nH]c2c1 35291879 XMGOMXZSPSLEBT-UHFFFAOYSA-N 352.413 4.422 0 40 FIAB c1coc(Cn2cnnc2SCCOc2ccc3ccccc3c2)c1 36394178 OQLGAARNRDYZKD-UHFFFAOYSA-N 351.431 4.244 0 40 FIAB Cc1cccc(CCC(=O)NCc2cccc(NC(=O)c3ccco3)c2)c1 36398520 LMNNNHTUWXRHIA-UHFFFAOYSA-N 362.429 4.089 0 40 FIAB CCCCCCN(CCCCCC)S(=O)(=O)c1cnn(C(F)F)c1 36615048 DEVOCMJZYYIMCR-UHFFFAOYSA-N 365.490 4.430 0 40 FIAB Cc1cc(CN(C)Cc2nc3ccccc3n2[C@@H](C)c2ccccc2)[nH]n1 36752947 CVEAIIRLOGDXNP-KRWDZBQOSA-N 359.477 4.309 0 40 FIAB C[C@@H](OCCCNC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1 37163197 MGQNFRZILOFINA-OAHLLOKOSA-N 370.474 4.230 0 40 FIAB CCCc1ccc(C(=O)c2ccccc2I)cc1 37357111 BMRQGUDTEDEZMW-UHFFFAOYSA-N 350.199 4.475 0 40 FIAB O=C(NCCc1ccsc1)Nc1ccc(Oc2cccc(F)c2)nc1 40121165 RAVRSVHWSOEWEP-UHFFFAOYSA-N 357.410 4.439 0 40 FIAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 40817740 WRPZCRDUAYTQQH-FQEVSTJZSA-N 363.461 4.258 0 40 FIAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1 44471322 WMGQLXPTXVIYJH-UHFFFAOYSA-N 360.433 4.111 0 40 FIAB C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccc(-n2ccnc2)cc1 56793374 JQPHAWQRBVEUBO-OXQOHEQNSA-N 352.482 4.298 0 40 FIAB O=C(NCc1cccc(N2CCCCC2=O)c1)Nc1cccc(Cl)c1 58420567 UOJGCUJBUZLIJF-UHFFFAOYSA-N 357.841 4.179 0 40 FIAB C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc(Br)cc2)C1 58520005 PBRUMJFESWPDFV-CQSZACIVSA-N 368.319 4.083 0 40 FIAB O=C(NCc1ccc(F)cc1)N(CCc1cccs1)Cc1cccnc1 75154747 MUHWUZAEYYYJGL-UHFFFAOYSA-N 369.465 4.237 0 40 FIAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C2CCOCC2)C1 89420059 QPOICTVBPNBDAK-TZMCWYRMSA-N 372.292 4.036 0 40 FIAB C[C@H](N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccnc1 90114860 DFFMWXDRVTURJB-AVRDEDQJSA-N 359.473 4.007 0 40 FIAB CO[C@H]1CCN(c2ccc(NC(=O)CCc3ccc(SC)cc3)cc2)C1 96122252 ZMAPDAAETPJDTN-IBGZPJMESA-N 370.518 4.205 0 40 FIAB CCc1noc(-c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2)n1 96346594 HARKOKRNPYRVSD-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB O=C1CC(=O)N(c2cccc(Cl)c2Cl)C(=S)N1c1ccccc1 101150057 ZDEQHCSVADQZPL-UHFFFAOYSA-N 365.241 4.048 0 40 FIAB O=C1O[C@H](c2sc3ccccc3c2Cl)N/C1=C/c1cccc(O)c1 105576302 MGMSMTBWKWALPV-JZUUQJBKSA-N 357.818 4.446 0 40 FIAB COc1ccc(CNC(=O)N2CCCC[C@@H](c3ccc(OC)cc3)C2)cc1 206886974 XYQXTYFBPVVBOW-LJQANCHMSA-N 368.477 4.183 0 40 FIAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1cc2cc(F)ccc2s1 207990048 JWUNGIKKWHRCTC-KRWDZBQOSA-N 354.450 4.439 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 222999184 NIKMMOFMNPCNMJ-WIYYLYMNSA-N 355.478 4.353 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1 223356517 BHSXSRWDMDDODX-SFHVURJKSA-N 369.530 4.173 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1Cl 224287165 QPWTWYQMIVAAJO-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 224887752 SAVCDBCGDYBMSE-UZLBHIALSA-N 367.445 4.025 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1Cl 225258302 BUXCBTUSWQDLFJ-UHFFFAOYSA-N 374.868 4.377 0 40 FIAB COc1ccc(NC(=S)NCCCSC2CCCCC2)cc1OC 225590076 NSBWOEDSPJOHHG-UHFFFAOYSA-N 368.568 4.446 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)N[C@@H](C)CC 225694580 DSAVLFQCUDHDJE-BLLLJJGKSA-N 373.324 4.425 0 40 FIAB CCOc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 225789455 HUWCHCWEOSLLPA-INIZCTEOSA-N 358.507 4.456 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C)n1 225862255 KAHBWQCRVHCUEU-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB CC(=O)O[C@H]1[C@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1OC(C)=O 229768219 FUSHLLXGTXLRMJ-MYGLTJDJSA-N 352.430 4.211 0 40 FIAB biogenic,in-vitro Cc1nc(CN2CC3(CO[C@@H]4c5ccccc5OC(C)(C)[C@H]4C3)C2)cs1 257211917 CBBRQNSAKLHUAP-PKOBYXMFSA-N 370.518 4.202 0 40 FIAB CNc1nc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)c2sccn12 257216034 CSUYOQLJVRZWFC-INIZCTEOSA-N 366.490 4.050 0 40 FIAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409102648 BOKGCAVEEZWSTN-LBTNJELSSA-N 368.399 4.212 0 40 FIAB Cc1ccc(-c2nn(CC(=O)N[C@H](C)c3ccccc3)c(=S)o2)cc1 409162448 FAUYJCAERHNPTE-CQSZACIVSA-N 353.447 4.058 0 40 FIAB O=C(c1cccc(-n2ccnc2)c1)N1CC2(CCCC2)c2c(F)cccc21 522761147 BYQUWJZNLFIMIO-UHFFFAOYSA-N 361.420 4.484 0 40 FIAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@@H](n4cc(C)cn4)C3)c2c1 566040971 JVMMAGDGFKBLBK-GOSISDBHSA-N 374.488 4.321 0 40 FIAB C[C@H](Oc1cccnc1NC(=O)NC[C@H]1CCOC1(C)C)c1ccccc1 666744269 VQNYTVSYOHEHBZ-DOTOQJQBSA-N 369.465 4.158 0 40 FIAB CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccccc1 1775967135 GWYSLGJDPNAVTI-CVEARBPZSA-N 355.459 4.352 0 40 FIAB S=C(Nc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100213589 KVDDNZXYTULNOJ-VURPSTOHSA-N 367.562 4.278 0 40 FIAB biogenic CN(CC(=O)Nc1ncc(Cl)cc1Cl)Cc1ccc(Cl)cc1 7061839 TZWMQBYOPXHELV-UHFFFAOYSA-N 358.656 4.112 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 67306037 CTFGPHTXROZYMP-XSNHNAGMSA-N 367.424 4.327 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)OCc1cn2cc(Cl)ccc2n1 11069810 AISAGGAEULDDTC-UHFFFAOYSA-N 368.742 4.292 0 40 FIAB CCCN(C(=O)c1ccc(F)cc1)[C@H](C)C(=O)Nc1cccc(Cl)c1 11165275 NLVZTIZBJGFTBQ-CYBMUJFWSA-N 362.832 4.359 0 40 FIAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1359495 XBZXHJVHEZWADG-UHFFFAOYSA-N 366.436 4.223 0 40 FIAB c1ccc(CN2CCC(Nc3ncnc4c3oc3ccccc34)CC2)cc1 3284034 MYPUPQBXLRIJLO-UHFFFAOYSA-N 358.445 4.453 0 40 FIAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 4426250 QDEXPMQUAKQLNM-OAHLLOKOSA-N 361.397 4.458 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1OC 6898446 SRBSWRCILXQWPH-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccccc3F)nnc12 100265531 IYLKNDJIUUJJOH-CWTRNNRKSA-N 357.454 4.161 0 40 FIAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)C1CCCC1 100156342 WFFHPISWNPYWQY-OTVXOJSOSA-N 359.495 4.378 0 40 FIAB COc1ccnc(NCc2cn(Cc3ccccc3)nc2-c2ccccc2)n1 11607280 ZVZTZLOHOARBFV-UHFFFAOYSA-N 371.444 4.009 0 40 FIAB CCCc1cc(=O)oc2cc(OCc3occc3C(=O)OCC)ccc12 32667642 OUVLKJVVUATOIM-UHFFFAOYSA-N 356.374 4.094 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(OC)cc2)c(C)c1 10446344 IKEPSORGBLCZTL-UHFFFAOYSA-N 373.474 4.052 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cc(Cl)ccc2C)n1 8476788 QYKSXOWJRFXHPN-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB CC(C)(C)c1cc(CCC(=O)Nc2nncs2)cc(C(C)(C)C)c1O 21215362 DMHOFWDICVQMLI-UHFFFAOYSA-N 361.511 4.410 0 40 FIAB O=C(Nc1cccc2cnccc12)c1cc(Cl)c2c(c1)OCCCO2 21218477 CNMVQDIUTDFUJW-UHFFFAOYSA-N 354.793 4.302 0 40 FIAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2-c2ccccc2)cc1 32755163 QJYWDHFYXJCEBH-UHFFFAOYSA-N 367.426 4.080 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(COC)cc2)sc2c1CCCC2 8041121 LCLLYBWVIUJDJJ-UHFFFAOYSA-N 373.474 4.202 0 40 FIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2c(c1)OCO2 20140713 RBXMEUVYVVCUKU-UHFFFAOYSA-N 371.776 4.073 0 40 FIAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 100750226 UTADVVGQSDLMRJ-XQBPLPMBSA-N 357.542 4.187 0 40 FIAB COc1ccc(-n2nc(C)c3sc([C@H]4CCC[C@@H](C(=O)O)C4)nc32)cc1 32918830 IXVBQRMTQVQOBH-QWHCGFSZSA-N 371.462 4.157 0 40 FIAB CSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 102672220 SFSVDKIHMOMHBY-OAHLLOKOSA-N 356.451 4.013 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1Cl 21869875 QVJFYTNJYMDNMN-INIZCTEOSA-N 367.276 4.035 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 33097149 BWGXQVVOFFZGTJ-MLGOLLRUSA-N 367.276 4.279 0 40 FIAB COc1ccccc1OCC(=O)Nc1nc(C)c(-c2ccccc2)s1 29921783 YNCASHYSFQLZQY-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB O=C(Nc1cccc(O)c1)c1ccc(Br)cc1Br 682955 HIPIRBMODQASKX-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB COc1ccc(NC(=O)c2cccnc2SCC(F)(F)F)c(OC)c1 22522811 CHCRKTLRJUWDJI-UHFFFAOYSA-N 372.368 4.006 0 40 FIAB Cc1ccc2ncn(Cc3cccc(C(=O)Nc4ccccc4)c3)c(=O)c2c1 54205672 KFWXJLQMMIMUTN-UHFFFAOYSA-N 369.424 4.006 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n(Cc2ccccc2)n1 28239729 FRQIFPQPYJXSAR-OAHLLOKOSA-N 369.852 4.299 0 40 FIAB Cc1ccc(CSCC(=O)NCc2ccccc2CN2CCCC2)cc1 24189660 CVWVDYTXVXVSBN-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(C(=O)O)cc1 20144519 IWVYNMNZQVUBSH-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1 958761 WKGMMLVIHFGVKA-UHFFFAOYSA-N 366.845 4.098 0 40 FIAB C[C@@H]1CCCN(C2=C(Cl)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 956203 LOQZLNUFYOGRFD-SECBINFHSA-N 373.667 4.049 0 40 FIAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCO[C@H]1CCCC[C@H]1C 47190157 YUIOFIXTCLCWFF-DYVFJYSZSA-N 360.429 4.114 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1cc(Cl)cc2cccnc12 12552455 LZEJLEDNYWMZND-UHFFFAOYSA-N 354.793 4.188 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12532057 VZERTGPGFOGMMJ-JOCHJYFZSA-N 373.431 4.161 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)CNc2ccc(F)c(C(=O)OC)c2)cc1 25065580 XOZMSQHDGSBSGJ-CYBMUJFWSA-N 358.413 4.176 0 40 FIAB O=C(COc1cccc(Cl)c1)Nc1ncc(Cc2ccccc2)s1 1453404 AOFSSOKCGWLXGN-UHFFFAOYSA-N 358.850 4.405 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1cn2c3c(cccc3c1=O)CCC2 22235295 TYRSEXMDRUVWHR-UHFFFAOYSA-N 372.346 4.219 0 40 FIAB COc1cccc(NC(=O)CSc2cc(C)nc(-c3ccccc3)n2)c1 57519779 DDLGUSZKMJNPOK-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 10208043 DADZKYCABDIXMW-HNNXBMFYSA-N 362.454 4.153 0 40 FIAB C[C@H](OC(=O)c1cccnc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3269604 RENHNUNSXMMKCR-QMMMGPOBSA-N 373.623 4.226 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccccc3Cl)NC(=O)CN21 2232882 KDGPFICTSNTBKM-ZJVMWOEPSA-N 352.865 4.286 0 40 FIAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1cccc(Br)c1 3314853 QGNMHDSQWCWSDA-CQSZACIVSA-N 362.267 4.126 0 40 FIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCCCCC1 3310954 VWDOGTUZXHNPAT-UHFFFAOYSA-N 351.446 4.135 0 40 FIAB COc1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1OC 12853635 SOIHAXQTQVMJSW-AWEZNQCLSA-N 363.866 4.324 0 40 FIAB O=c1c2ccccc2nc(SC[C@@H]2CCCCO2)n1-c1ccccc1 3492611 LBAQNPQUWWMCPW-INIZCTEOSA-N 352.459 4.047 0 40 FIAB Cc1cc(NC(=O)CN[C@H](c2ccccc2)C(C)C)n(-c2ccccc2)n1 12994139 ASXRPZQTFQEJNO-QFIPXVFZSA-N 362.477 4.106 0 40 FIAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccccc1 3505269 ROJLQWIFGZMFTC-UHFFFAOYSA-N 374.440 4.299 0 40 FIAB C[C@@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(N)=O 7713647 ZHLWVQPSKWTROK-LLVKDONJSA-N 372.475 4.040 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3O2)c2cccs2)cc1 7740086 APQRIJQKYFOQTH-QUCCMNQESA-N 365.454 4.102 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(C(C)C)cc2)c1 25732059 FFGSNOJJFOPBRV-UHFFFAOYSA-N 361.825 4.268 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(C)cc1 20105497 IOGZEPILDAMRGN-HXUWFJFHSA-N 373.518 4.211 0 40 FIAB O=C1O[C@@H](C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)Cc2ccccc21 4281996 XLYLEURJKJTYIS-CQSZACIVSA-N 369.726 4.079 0 40 FIAB CCc1cccc(CC)c1NC(=O)CSc1nc(-c2cccs2)n[nH]1 5017894 YFNRUBORHVJIMJ-UHFFFAOYSA-N 372.519 4.389 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 6286227 QYYKERJYEFDBME-OUKQBFOZSA-N 362.385 4.192 0 40 FIAB Cc1ccc2cc3c(nc2c1)N(NC(=O)Nc1ccc(Cl)cc1)CC3 5246174 MNQSIJOEZDLYFS-UHFFFAOYSA-N 352.825 4.296 0 40 FIAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1F 6354506 AOKPNMXHDYBRNY-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1cc(F)ccc1F 6429676 ZKPXDZQTWLXGRP-UHFFFAOYSA-N 363.404 4.053 0 40 FIAB COc1cc(OC)cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 6759324 ADPXNZXPBSPMQB-UHFFFAOYSA-N 366.295 4.319 0 40 FIAB Cc1cc2oc(=O)cc(CSc3nncn3-c3ccccc3)c2cc1C 4835201 MSLBOLQZAZKRJK-UHFFFAOYSA-N 363.442 4.283 0 40 FIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc2c(c1)OCO2 6968662 VMRADDHFWHLLFJ-UHFFFAOYSA-N 360.341 4.069 0 40 FIAB Cc1cc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)cc1C 67206828 VSZXELLVIRXLFU-UHFFFAOYSA-N 366.848 4.372 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnn(-c2ccccc2)n1 9515311 OFMSTGPLLCXYRE-UHFFFAOYSA-N 370.412 4.099 0 40 FIAB CCn1c(S[C@@H](C(=O)O)c2ccccc2)nnc1-c1cccc(C)c1 9048828 ZXGHZNDMQMNSBJ-MRXNPFEDSA-N 353.447 4.191 0 40 FIAB c1csc(-c2noc(CSc3nnc4sc5ccccc5n34)n2)c1 9118870 FVWGRHIYQQJZOE-UHFFFAOYSA-N 371.472 4.348 0 40 FIAB COc1ccc(OCC(=O)N(Cc2cccc(F)c2)Cc2ccco2)cc1 9204954 CXFSBVSGAPQNTJ-UHFFFAOYSA-N 369.392 4.035 0 40 FIAB Cc1nc(C(C)C)c(C(=O)NCc2nc3ccccc3n2C(C)C)s1 96232674 VPHVNTMURXPTBO-UHFFFAOYSA-N 356.495 4.436 0 40 FIAB Fc1ccc(-c2noc([C@H]3CCCN(c4nc5ccccc5o4)C3)n2)cc1 71924487 ARMLBAZFCXKYEO-AWEZNQCLSA-N 364.380 4.401 0 40 FIAB C[S@@](=O)c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1 83990293 LQPQBDCGQSHHCK-DEOSSOPVSA-N 356.472 4.163 0 40 FIAB CC(C)(C)c1nc([C@H](Cc2ccccc2)C(=O)O)n(Cc2ccccc2)n1 72233820 FVATVXHMWLVYKH-SFHVURJKSA-N 363.461 4.035 0 40 FIAB Cc1ccc([C@H]2OCCC[C@H]2Nc2cc(C)nc(-c3ccccn3)n2)cc1 72307319 ULKIPKORGFDYQL-WIYYLYMNSA-N 360.461 4.488 0 40 FIAB O=C1CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3C(F)(F)F)ccc2N1 84502158 GVKOVCIVEXWZDX-LSDHHAIUSA-N 374.362 4.332 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20454074 IWFSIEOFDCYUJF-IAGOWNOFSA-N 371.477 4.274 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccccn1 408880215 FCNAKLKTLGVLJK-GFCCVEGCSA-N 352.912 4.124 0 40 FIAB CC(C)c1ccc2nc3sc(C(=O)NC[C@H]4CCCO4)c(N)c3cc2c1 35314299 JWVZFNBLWUBWMM-CQSZACIVSA-N 369.490 4.064 0 40 FIAB Cc1cccc([C@@H]2C(=O)[C@@H](Oc3ccc(Cl)cc3Cl)[C@H]2CO)c1C 34936013 ZYWHAHLJZWOSNE-FNHZYXHNSA-N 365.256 4.333 0 40 FIAB CC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620163 KRSUBAFXLFXVAG-ZDUSSCGKSA-N 354.837 4.357 0 40 FIAB Nc1nc(SCc2cc(Cl)cc3c2OCOC3)nc2sccc12 32841103 HSJUYLDZNDUSHL-UHFFFAOYSA-N 365.867 4.086 0 40 FIAB O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc(Cl)c(Cl)c1 32092935 DWAWTLHPUJJHJI-UHFFFAOYSA-N 352.246 4.422 0 40 FIAB Cc1cc(-c2cnc(N3CCSCC3)nc2-c2sccc2C)on1 72337274 BOXXHQBGBILUSW-UHFFFAOYSA-N 358.492 4.030 0 40 FIAB Fc1cccc(Cc2cccc(C3CCN(C4CCOCC4)CC3)n2)c1 72350097 YQMHBTVOHSAMKR-UHFFFAOYSA-N 354.469 4.170 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 219367400 GZMSQOLHTRZTNI-FXAWDEMLSA-N 355.478 4.353 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1NC1CCCCC1 72214002 RIECBYLNSYGVSP-UHFFFAOYSA-N 361.486 4.314 0 40 FIAB Clc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377605 WDMRTWJISRSOKZ-QGZVFWFLSA-N 366.856 4.001 0 40 FIAB O=C(Cc1cccs1)NCc1ccc(OCc2ccc(F)cc2)cc1 225294028 QUOYKPSVFMKPOA-UHFFFAOYSA-N 355.434 4.325 0 40 FIAB C[C@H](c1cccc2ccccc12)N1CCC(C(=O)NCC(F)(F)F)CC1 518566813 FXQMVFPRNIDIKQ-CQSZACIVSA-N 364.411 4.291 0 40 FIAB CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 225903724 XHONWOHCSGNDDD-SFHVURJKSA-N 374.887 4.350 0 40 FIAB CCc1ccc(CCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224685033 XZHJCFLJNIIHNE-UHFFFAOYSA-N 364.533 4.484 0 40 FIAB CCC1(CC)C[C@H](NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2O1 225398544 DYJUJOBQKUYGEU-KRWDZBQOSA-N 367.445 4.270 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1C 225201214 PGLGQXUGJLJROT-UHFFFAOYSA-N 367.470 4.365 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)N[C@@H](C)CC 225280842 ZYZNLXWGZVQBNY-RYUDHWBXSA-N 359.297 4.035 0 40 FIAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577118 ZIEZIBCIVWGRBU-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccccc1C 225555456 RVCCAYLFFULXQR-LJQANCHMSA-N 373.518 4.312 0 40 FIAB COc1ccc(CCC(=O)NCCCc2cccc(OC(C)C)c2)cc1C 223002128 VDIRPPIZNBFLDB-UHFFFAOYSA-N 369.505 4.472 0 40 FIAB Fc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 96057052 YINWRGIHERSHJW-FCHUYYIVSA-N 361.501 4.404 0 40 FIAB O=C(C1CCC1)N1CCCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 257232849 GMRPBGSGBZKERM-KRWDZBQOSA-N 362.433 4.139 0 40 FIAB CN(C(=O)[C@H]1CCO[C@@H]1c1cccnc1)c1nc2ccc(Cl)cc2s1 584210393 FGHLLMULUZYUAW-XJKSGUPXSA-N 373.865 4.085 0 40 FIAB O=C(c1ccc(Cl)s1)N1CCC(CSc2ccccn2)CC1 85557619 RMGDYIRVODJIBV-UHFFFAOYSA-N 352.912 4.441 0 40 FIAB O=C(CCCCCn1cccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 604419026 LCWOTGMPKVZWHV-UHFFFAOYSA-N 364.493 4.331 0 40 FIAB CC(F)(F)c1ccccc1NC(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1 653564413 AJWLVXNQLBUFQR-KBPBESRZSA-N 366.433 4.100 0 40 FIAB O=C(Nc1cccc(NC(=O)c2ccccc2OC(F)F)c1)c1ccco1 11361576 QYPNQRBQPYOTHD-UHFFFAOYSA-N 372.327 4.386 0 40 FIAB CCc1ccccc1NC(=O)Cn1c(-c2cccc(C)c2)n[nH]c1=S 12909066 GXWUSCHUKGNYQT-UHFFFAOYSA-N 352.463 4.117 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 13011256 WIVFTZNWYHXPMG-FQEVSTJZSA-N 350.487 4.448 0 40 FIAB CCc1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CC[C@H](CC)C2 17864469 JCJAWAVGWCYZGM-AWEZNQCLSA-N 370.518 4.194 0 40 FIAB CC(C)C(=O)N1[C@H]2CC[C@@H]1Cc1nc(C3CC3)nc(Nc3ccccc3)c12 19085095 FAIZUUFHJPKPCY-AEFFLSMTSA-N 362.477 4.342 0 40 FIAB O=C(c1cccc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1 19841690 LNDOWNLECGMYSE-UHFFFAOYSA-N 364.876 4.451 0 40 FIAB CC1(C)Cc2c(c(Nc3ccccc3)n(-c3ccccc3)c(=O)c2C#N)CO1 2417507 IMXUZVKTFOGLLZ-UHFFFAOYSA-N 371.440 4.304 0 40 FIAB O[C@@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 4086878 HSUAXACORVUTNN-HXUWFJFHSA-N 359.852 4.129 0 40 FIAB CCOc1ccccc1N1C(=S)N[C@H]2C[C@@]1(C)Oc1c(OC)cccc12 101184321 ZLNREPOYLCCEAZ-VBKZILBWSA-N 370.474 4.028 0 40 FIAB COc1ccccc1OCC(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 211078943 JREKWCGUHLTUCS-QGZVFWFLSA-N 357.425 4.009 0 40 FIAB O=C(NCC[C@H](CCO)c1ccsc1)c1ccccc1C(F)(F)F 575608725 XRHMJKWXZXCBNO-GFCCVEGCSA-N 357.397 4.053 0 40 FIAB O=S(=O)(Cc1coc(-c2cccc(F)c2)n1)c1ccc2ccccc2n1 40152106 JDKLLDCEBCSQDC-UHFFFAOYSA-N 368.389 4.003 0 40 FIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 955487 HVYJTLCFXKQVMO-VOTSOKGWSA-N 364.228 4.497 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccccc4F)c(=O)c23)C1 1321111 JWVYZFBTRKAUPH-CYBMUJFWSA-N 371.481 4.191 0 40 FIAB Fc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1 1447524 CYXUKQKLLFEEKZ-UHFFFAOYSA-N 374.419 4.063 0 40 FIAB O=c1[nH]cccc1-c1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1 3051194 YOCKQHSISCXACN-UHFFFAOYSA-N 369.346 4.459 0 40 FIAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)[C@@H](c1cccs1)N1CCCC1 3261394 QWEKCQFTYATLDE-PXAZEXFGSA-N 366.889 4.496 0 40 FIAB Cc1ccc2cc(CCNC(=O)c3ccc4ccccc4c3)c(=O)[nH]c2c1C 4032955 FNKFEAALIWEHHU-UHFFFAOYSA-N 370.452 4.271 0 40 FIAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1cccc(Cl)c1 4385645 YWHRWHKLOGOYLI-UHFFFAOYSA-N 369.896 4.443 0 40 FIAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1 4436889 BRLVAOYXNAXRNE-JTQLQIEISA-N 369.751 4.125 0 40 FIAB Cc1cccc(COc2coc(CN3CCc4ccccc4C3)cc2=O)c1 4583914 JRIIYKFPRMJMNY-UHFFFAOYSA-N 361.441 4.086 0 40 FIAB O=C(CSc1ccccc1C(=O)O)Nc1ccc(Cl)c(Cl)c1 4619633 WAFUWPXPOOZTOD-UHFFFAOYSA-N 356.230 4.422 0 40 FIAB CCOC(=O)c1c(C(=O)Nc2ccccc2OCC)sc2c1CCC2 4698805 IZOGWMBOIOCFGM-UHFFFAOYSA-N 359.447 4.065 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)N3CCCC[C@@H]3C)s2)c1 4838203 XVHASGPMMHSPTB-ZDUSSCGKSA-N 362.524 4.083 0 40 FIAB CC[C@H]1Oc2cc(OC(C)=O)ccc2C=C1c1ccc(OC(C)=O)cc1 4934715 GXYODSQQOXOLLH-HXUWFJFHSA-N 352.386 4.249 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)C1CCCC1 5373990 SMRXDSAOGITQCZ-UHFFFAOYSA-N 354.475 4.470 0 40 FIAB Cc1cc(C)nc(NC(=O)CCCOc2ccc(Cl)cc2Cl)n1 5680663 MYABEMSXJOGBGR-UHFFFAOYSA-N 354.237 4.198 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 5786186 UGRRCKODPCHHDC-JIAJSWDESA-N 370.276 4.245 0 40 FIAB O=S(=O)(Nc1ncccc1OCc1ccccc1)c1ccc(Cl)cc1 6057234 UADWCRSDQNUAME-UHFFFAOYSA-N 374.849 4.115 0 40 FIAB CC(C)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 6316342 GIAXKLYXZXPMEO-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB O=C(O)Cc1sc(NCCc2ccccc2)nc1-c1ccc(F)cc1 7060567 ZITWVNZCVBIZLG-UHFFFAOYSA-N 356.422 4.231 0 40 FIAB CC(C)c1ccc([C@H](NCc2cc(=O)n3ccsc3n2)C(C)C)cc1 7803985 FBBOWKSAZMVPJN-LJQANCHMSA-N 355.507 4.366 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1 8479326 PTEPSMKHUQQPMM-INIZCTEOSA-N 368.477 4.238 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc3cccc(OC)c3o2)c(C)c1 10447290 KWTCFEBZQNMJRY-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB COc1cc(Cl)c(NC(=O)c2nc(Cl)ccc2Cl)cc1OC 11058456 GWKUMJKEKCBDII-UHFFFAOYSA-N 361.612 4.311 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 11768701 GQBIEHYGBFSMTM-UHFFFAOYSA-N 363.461 4.196 0 40 FIAB C/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OCC)cc2)cs1 12442151 SIXXBQRYBGKIAC-XQRVVYSFSA-N 368.462 4.218 0 40 FIAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12581920 HLOQPPBIRIVVOZ-UHFFFAOYSA-N 351.406 4.059 0 40 FIAB Cc1ccc2nc(S[C@H](C)C(=O)N3CCCc4ccccc43)[nH]c2c1 12629732 RVULAXCKYSKLDG-CQSZACIVSA-N 351.475 4.331 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12766353 IOWFUQBHKSSEKO-HNNXBMFYSA-N 363.436 4.300 0 40 FIAB COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1OC(F)F 12768526 JKPXXDKVFHSTCJ-WDEREUQCSA-N 367.314 4.148 0 40 FIAB C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1Br 12981926 LRCOESLCVCCOJY-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13146872 JOVMGMZFXVTCIX-YFVAEKQCSA-N 371.502 4.265 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2c1C 14357273 BQVVIDAPSMWHQD-MISXGVKJSA-N 363.552 4.341 0 40 FIAB C[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)c1cccc(Cl)c1 14681570 SNVZVMQWKHNXJQ-ZDUSSCGKSA-N 358.821 4.022 0 40 FIAB CCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O 18243803 NHZPULSKILLECX-BBWFWOEESA-N 371.477 4.488 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(F)cc2)C4)cc1 20671459 ZLRRPJQYPAKCOH-INIZCTEOSA-N 372.403 4.152 0 40 FIAB CCN(CC)Cc1ccccc1CNC(=O)c1cc(F)c(F)cc1Cl 21639447 OCUXSIPNCQUHSW-UHFFFAOYSA-N 366.839 4.390 0 40 FIAB O=C(CSCc1ccccc1)Nc1cccc(N2CCCCC2=O)c1 24940598 NZZGIXGLZPZGBS-UHFFFAOYSA-N 354.475 4.075 0 40 FIAB COc1ccccc1N1CCN([C@H](C)c2nc3ccccc3s2)CC1 25702155 OXCXJXUUOGRBCM-OAHLLOKOSA-N 353.491 4.188 0 40 FIAB COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc(OC)c1Br 27256101 NDFWWGVIIVMRKB-WCQYABFASA-N 370.287 4.117 0 40 FIAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(N(C)C)c2)c1C 27922070 VIBUFGACEWDMJA-UHFFFAOYSA-N 362.477 4.175 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1C 28403559 FZKUZVOJVIMXRV-OAHLLOKOSA-N 355.463 4.016 0 40 FIAB Cc1cccc(Nc2nnc(SCc3nnsc3Cl)s2)c1 29827932 FDPTWEQWNGENGB-UHFFFAOYSA-N 355.901 4.387 0 40 FIAB Cc1ccc(-n2nc(C)c(NC(=O)NCc3ccc(F)cc3)c2C)cc1 31033029 HZMGQZITDLFALL-UHFFFAOYSA-N 352.413 4.258 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)c1 32593522 YXBLPSUWVHDPNJ-INIZCTEOSA-N 367.449 4.362 0 40 FIAB Cc1cc(OCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)no1 32735882 VNVLIBBNJAYXGV-UHFFFAOYSA-N 369.446 4.003 0 40 FIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 32865786 AQAUEDMYXMDINT-KRWDZBQOSA-N 369.484 4.193 0 40 FIAB c1cc(-c2nc(CN(C[C@@H]3CCCO3)C[C@H]3CCCO3)cs2)cs1 40153571 NRLIYHQVEKUJJE-CALCHBBNSA-N 364.536 4.032 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1)NC1CC1 55600573 PBFHRPLWXGQAAL-IBGZPJMESA-N 355.482 4.155 0 40 FIAB CCCCCC[C@H](C)NC(=O)CS(=O)(=O)[C@@H](C)c1ccccc1Cl 58196379 AWQCUMKBSRJORF-GJZGRUSLSA-N 373.946 4.291 0 40 FIAB COC(=O)C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 58357066 CMPQRMXRAUHJBO-NSHDSACASA-N 358.246 4.089 0 40 FIAB NC(=O)c1cnc(N2CCC(c3cccc4ccccc34)CC2)c(Cl)c1 58544772 YBZPEUYCUVULGL-UHFFFAOYSA-N 365.864 4.371 0 40 FIAB Cc1ccc(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2noc3c2CCCC3)cc1 72347685 IKGYVLOMQDHEBK-AYHJJNSGSA-N 350.462 4.413 0 40 FIAB CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 72389450 HOGLPKILRFNUSO-GOSISDBHSA-N 365.481 4.027 0 40 FIAB O=C(NCc1nc2ccccc2s1)c1c[nH]cc1-c1ccc(F)cc1 76041362 WAFPYGQTEHOBJF-UHFFFAOYSA-N 351.406 4.361 0 40 FIAB O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)c1cc2ccccc2o1 77200611 ZQYRIQHUOLLVSG-UHFFFAOYSA-N 368.389 4.227 0 40 FIAB Cc1ccsc1CNC(=O)Nc1ccccc1-c1nncn1C(C)C 79056580 RHMJVSNPXKAILW-UHFFFAOYSA-N 355.467 4.218 0 40 FIAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC[C@H]1Cc1cccc(F)c1 84372386 NWWVPSIBIKKUMG-HNNXBMFYSA-N 361.800 4.055 0 40 FIAB Cc1ccc(C)c(OCCCCC(=O)NCC(C)(C)c2ccncc2)c1 91838742 BKMLMYMODOCNRH-UHFFFAOYSA-N 354.494 4.342 0 40 FIAB COc1ccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101215405 WVVQQTCEJANXKR-OAHLLOKOSA-N 374.231 4.045 0 40 FIAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 101277106 QUSLUWBFJMIGAA-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccccc4)C3=C(O)C2)cc1 102674264 COWFTLXHROQOOR-IIBYNOLFSA-N 372.428 4.352 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1(C)C 107328068 MKEIXLNVZVEZLM-UXIGCNINSA-N 374.506 4.444 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3F)s2)cc1 136395521 SZLJVLSVVURPOK-UHFFFAOYSA-N 363.801 4.259 0 40 FIAB CC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222606919 NPDNZHPZFIKAQV-UHFFFAOYSA-N 351.793 4.252 0 40 FIAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 223658965 QJUROFUEKCEGGL-SZHLLGMXSA-N 374.440 4.236 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 223775696 BITAGKZSGRDCLD-HNNXBMFYSA-N 361.869 4.426 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c1 224319414 MHQMWLZKGLAKJZ-UXHICEINSA-N 362.502 4.214 0 40 FIAB Cc1cccc([C@@H](NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)c1 225403374 KIZCCTFUPMCORK-QFIPXVFZSA-N 359.425 4.286 0 40 FIAB CCOC(=O)c1c(NC(=O)Cc2ccccc2F)sc2c1CCCC2 225445798 QYDFYRMONVJJLJ-UHFFFAOYSA-N 361.438 4.124 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(OC)c(Cl)c1 225581654 RWZGWUBTTZHENM-HNNXBMFYSA-N 369.962 4.290 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)C 225612758 UDPCHYWEPGMOAX-GFCCVEGCSA-N 359.297 4.035 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225730831 NHNZBRNNZCAJTN-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2c1ccc1ccccc21 225824972 ICLSSBIOGIBXFE-UHFFFAOYSA-N 371.436 4.480 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225838546 RZBZPYLOGNYFHK-VBKZILBWSA-N 365.470 4.184 0 40 FIAB CCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225907643 VJPLNXYZCSLKBW-HXUWFJFHSA-N 366.502 4.119 0 40 FIAB COc1cccc2c1O[C@](C)(CCCC(C)C)[C@H]1CC3(CNC3)CO[C@H]21 257224481 FBZMXFLQKPRSCQ-FBBABVLZSA-N 359.510 4.340 0 40 FIAB O[C@H]1C[C@@H]2CN(Cc3cc(Cl)ccc3OCc3ccccc3)C[C@@H]2C1 257261486 LHNMYLMKZCEEJX-YRWFTTLQSA-N 357.881 4.122 0 40 FIAB COc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Br)c1OC 408624182 UWNLLBMBJSSABT-UHFFFAOYSA-N 368.202 4.166 0 40 FIAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c1 408739101 XKQQLQOOXBCSBS-OAQYLSRUSA-N 374.440 4.333 0 40 FIAB CSCC(=O)Nc1cc(-c2cccc(C)c2)nn1Cc1ccccc1 514901959 SUPIBSWVGMMXAJ-UHFFFAOYSA-N 351.475 4.208 0 40 FIAB O=C([C@H]1COc2ccccc2C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 518962524 BQIYPZUKSLSHPL-GGAORHGYSA-N 369.464 4.412 0 40 FIAB O=C(N1CCc2sc(Cl)cc2C1)C1(c2ccccc2)CCOCC1 573002421 LDRMKBOWWGZVBW-UHFFFAOYSA-N 361.894 4.035 0 40 FIAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cc2ncccn2n1 643920870 GTNBQCCEPJPEDW-AWEZNQCLSA-N 364.449 4.061 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)Nc3c[nH]nc3C3CC3)s2)cc1F 664322106 LJEAPPPPESCOMX-UHFFFAOYSA-N 371.441 4.426 0 40 FIAB CC(=O)c1ccc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)s1 684499566 MEOMVGHYJJHEOE-UHFFFAOYSA-N 367.474 4.086 0 40 FIAB Cc1oc2ccccc2c1CC(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 1159611533 YZTGVOQCUWOSIX-UHFFFAOYSA-N 374.322 4.213 0 40 FIAB CC(C)(C)c1cc(C(=O)NCCOc2ccccc2-c2ccccc2)[nH]n1 1583623410 NJKVTSNDOVIIAI-UHFFFAOYSA-N 363.461 4.183 0 40 FIAB C[C@@]1(C(F)(F)F)CN(C(=O)Nc2ccc(Cl)cc2Cl)CCO1 1622705504 AEPDZYUJDINEQQ-LBPRGKRZSA-N 357.159 4.179 0 40 FIAB CN(Cc1cc[nH]n1)C(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1633473092 IHAVSBPMCDZBJG-UHFFFAOYSA-N 358.445 4.149 0 40 FIAB CSc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccco2)s1 1775968133 JWQIJOJSDQEELA-ZDUSSCGKSA-N 359.472 4.193 0 40 FIAB CSc1cccc(C(=O)N2CCC[C@H](COc3cccc(C)n3)C2)c1 1775969385 OGLLQUSZSOKIHY-INIZCTEOSA-N 356.491 4.043 0 40 FIAB COc1ccccc1C1(C(=O)NCc2cc(-c3ccco3)cs2)CC1 1888962728 GHEZFQCGRPOKBG-UHFFFAOYSA-N 353.443 4.365 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@@H]3O 833967 NIDRYBLTWYFCFV-PZROIBLQSA-N 370.445 4.380 0 40 FIAB in-vitro O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)c1ccccc1 897276 ULRLCBPWBUXQBT-UHFFFAOYSA-N 359.838 4.310 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)c1 937409 YDUVSTKLKIROKF-UHFFFAOYSA-N 355.440 4.195 0 40 FIAB CCCCc1ccc(NC(=S)NC(=O)c2ccc(OC)c(OC)c2)cc1 2064370 IBYVXNIZFHESCD-UHFFFAOYSA-N 372.490 4.173 0 40 FIAB O=C(NCCSc1ccc(Br)cc1)c1ccc(F)cc1 3132988 ISDSHANUJLQNQL-UHFFFAOYSA-N 354.244 4.110 0 40 FIAB CSc1nnc2c(n1)O[C@@H](c1cccc(Cl)c1)Nc1ccccc1-2 3207839 PYFJHCZWCKXLHL-HNNXBMFYSA-N 356.838 4.417 0 40 FIAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCCC)cc1 4064481 PWLDZMFTMHASLX-LJQANCHMSA-N 374.481 4.227 0 40 FIAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1cccs1 4078292 VKHHTJHTQDAGOD-UHFFFAOYSA-N 351.453 4.283 0 40 FIAB COc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 4086611 UPRUDTJFUDRQCT-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB CCCN1C(=O)[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4724181 DXZPGKZFHOUYTK-QHCPKHFHSA-N 365.473 4.336 0 40 FIAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 5012207 BYEUBZWSMRKRQA-UHFFFAOYSA-N 369.465 4.486 0 40 FIAB Cc1ccc(-n2nnnc2SCc2ncc(-c3ccccc3)o2)c(C)c1 5414904 WWMWVYXZMOEZPD-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB COc1cc(OC)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 5454349 LCGZHRGXGFXCCX-ZHHULCEESA-N 373.493 4.047 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2ccccc2)cc1 5936282 VORGCUWWBBFQKA-QGZVFWFLSA-N 371.436 4.488 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)c1C 6479119 PCNTTYONEJKECM-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 6517629 AQRFNHLFTHNRHM-LFYBBSHMSA-N 369.896 4.134 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1 6852988 RVZNLXQEUNJZCW-MEBBXXQBSA-N 355.290 4.402 0 40 FIAB O=C(/C=C/c1ccccc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 6884787 KNCPVESYPZYECK-RMKNXTFCSA-N 373.890 4.476 0 40 FIAB COc1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 6939944 ATTHXBPMPSFHAN-UHFFFAOYSA-N 367.470 4.086 0 40 FIAB CCc1ccc([C@@H]2C[C@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 6947731 ZYWGWVJPPXKDTA-ZWKOTPCHSA-N 364.449 4.004 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccncc2)cs1 6969548 VSNOJFUGRQYKAB-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB Cc1nc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nc(C)c1C 7253217 WRORXEBLJKMKOH-CRAIPNDOSA-N 355.507 4.076 0 40 FIAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 7552501 ZXWRJBKBIACQLB-HNNXBMFYSA-N 369.248 4.059 0 40 FIAB CCOc1ccc(OCCNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 7899556 WKOYQLVVBBCAIN-UHFFFAOYSA-N 368.260 4.130 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 7986428 CAKNYVRJQGMXSM-LLVKDONJSA-N 353.447 4.484 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 8986777 HDYGNXNFPSBHRM-AWEZNQCLSA-N 352.459 4.239 0 40 FIAB CC[C@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1cc(C)on1 9390135 DLQYISWMBONEJR-ZDUSSCGKSA-N 368.418 4.182 0 40 FIAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 10253625 POFATKBDDYIDPC-UHFFFAOYSA-N 359.472 4.336 0 40 FIAB CCCCNC(=O)CSc1nc2ccc(C(F)(F)F)cc2n1CCC 11021818 QZJAHGCNAHTPHE-UHFFFAOYSA-N 373.444 4.474 0 40 FIAB CCCCn1c(SCc2cn3ccccc3n2)nc2ccccc2c1=O 12659252 OHKMXJOAWQUDIH-UHFFFAOYSA-N 364.474 4.137 0 40 FIAB Cc1cc2oc(=O)cc(CN(C)CCOc3ccc(F)cc3)c2cc1C 12816788 FYTYSGGLBUEIEI-UHFFFAOYSA-N 355.409 4.060 0 40 FIAB O=C(NC(=S)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 14036368 MXPOQVZENBDEDK-UHFFFAOYSA-N 362.454 4.392 0 40 FIAB CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 14109618 RMBCAWMTJRPDKO-UHFFFAOYSA-N 353.349 4.453 0 40 FIAB Cc1noc2nc(C3CCN(Cc4cccnc4)CC3)cc(C(F)F)c12 19565088 PLCMAXZVYVKZST-UHFFFAOYSA-N 358.392 4.243 0 40 FIAB O=C(CCCc1nc(-c2ccco2)no1)Nc1ccccc1C(F)(F)F 20894310 ZEAHFIBQTOPINB-UHFFFAOYSA-N 365.311 4.310 0 40 FIAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)c2c(c1)OCO2 23041503 FSKYGDJHNHNJJZ-UHFFFAOYSA-N 373.714 4.262 0 40 FIAB O=C(Cc1cccc(F)c1)Nc1cccc(NC(=O)c2cccs2)c1 24028448 WMYGUKISYNTSHS-UHFFFAOYSA-N 354.406 4.321 0 40 FIAB Cc1ccccc1[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 28189914 DPNZTMSHACWHMP-HKUYNNGSSA-N 366.490 4.042 0 40 FIAB Cc1ccc(-c2noc(CS[C@@H](C)C(=O)Nc3ccccc3)n2)cc1 28908888 DCRSJNNVBGILLL-AWEZNQCLSA-N 353.447 4.305 0 40 FIAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2ccccc21 29482359 AHBSOUAKQWUYMJ-QGZVFWFLSA-N 364.367 4.143 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc2c3c(cccc13)CC2)c1cccc(F)c1 29837942 BRHDQWQVFYGOQY-OAQYLSRUSA-N 362.448 4.110 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OC2CCCCC2)cc1 32537766 KUWONEJHRVPHBM-UHFFFAOYSA-N 362.429 4.184 0 40 FIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 32609732 CJOUKQJSNGRKDC-MOPGFXCFSA-N 363.436 4.430 0 40 FIAB CC[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)cc2C1 32707937 VKXMISGXUUOCQT-KGLIPLIRSA-N 357.475 4.447 0 40 FIAB CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(-c2ccccc2F)o1 32719478 NDZCXVGJSRLRRR-GJZGRUSLSA-N 373.424 4.422 0 40 FIAB S=C(NCCc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 35312972 GWLPBKJPFJAMNJ-UHFFFAOYSA-N 365.502 4.124 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)Nc3ccc4[nH]c(C)cc4c3)c(C)n2n1 40072686 SVEJEBAHXNKKIF-UHFFFAOYSA-N 361.449 4.016 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c(C)s1 40080934 YGDAGXTVCNONQD-KSSFIOAISA-N 364.555 4.263 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)COc2cccc3ccccc23)cc1 44880306 JOHYKVMLSLYUME-UHFFFAOYSA-N 371.440 4.029 0 40 FIAB C[C@H](NC(=O)NCc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 47893172 UJJVMJJSBWOSOT-AWEZNQCLSA-N 371.868 4.027 0 40 FIAB CC1CCC(NC(=O)CSCc2ccc(Br)cc2)CC1 57985900 DWFZWNOHDDVIOI-UHFFFAOYSA-N 356.329 4.377 0 40 FIAB O=c1nc(/C=C/c2ccc(-c3ccc(F)cc3F)o2)cc(C(F)(F)F)[nH]1 59596728 XXBZUBBTJOONJL-NSCUHMNNSA-N 368.261 4.497 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1C 65512570 HJPHLGCMABEJJG-UHFFFAOYSA-N 367.371 4.171 0 40 FIAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 70639939 FUVJQBCLRMYONO-SFHVURJKSA-N 359.347 4.322 0 40 FIAB O=C(NC1CC1)[C@@H](Nc1cccc(Br)c1)c1ccc(F)cc1 71820278 ZCTPQSGDBRIGAX-INIZCTEOSA-N 363.230 4.020 0 40 FIAB CCSc1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72217190 UEVFXENYBWXCCX-KRWDZBQOSA-N 362.520 4.028 0 40 FIAB CN1CCC2(CC1)CN(Cc1ccccc1Cl)Cc1ccccc1O2 72394172 NYNREPQCUYQTHW-UHFFFAOYSA-N 356.897 4.199 0 40 FIAB CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(F)cc1Cl 75463478 SLTPOCJAUHJRAT-UHFFFAOYSA-N 359.788 4.316 0 40 FIAB Cc1ccoc1C(=O)NC1CCN(Cc2csc3c(F)cccc23)CC1 79058618 ZWLIATBAWJHMOU-UHFFFAOYSA-N 372.465 4.336 0 40 FIAB CC1(C)COC(C(C)(C)COC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)OC1 84673684 BZCDXSVZBWMGPZ-DZGCQCFKSA-N 368.420 4.037 0 40 FIAB O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CC[C@H](c2ccccc2)C1 89759999 UGMUBQBFWWXQDA-INIZCTEOSA-N 368.864 4.097 0 40 FIAB C=CC(=O)NCc1ccc(C(=O)N2CCCC(C)(C)c3ccccc32)cc1 89849520 FHNNABOPYVSDCQ-UHFFFAOYSA-N 362.473 4.207 0 40 FIAB Cc1cc(C)n(CCCNC(=O)c2ccc(Oc3ccccc3Cl)o2)n1 96183806 HBRWXVLBHSHYMO-UHFFFAOYSA-N 373.840 4.359 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccc(Cl)cc1 96583610 ZMRVCKZRHNGXFE-XNTDXEJSSA-N 372.833 4.015 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2-c2cn[nH]c2)c1 97162320 BEQVPAKQCITCCI-FQEVSTJZSA-N 362.433 4.454 0 40 FIAB COc1cc(C(=O)Nc2ccc(C)cc2C)cc(Br)c1OC 107702541 ZTUXJDMVGQEAMF-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)SCc2ccccc2)cc1 223413314 JVOBJTUQFNSLGS-QGZVFWFLSA-N 357.519 4.456 0 40 FIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 224351943 QYWLPCDPVZTKBI-WOJBJXKFSA-N 362.502 4.160 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C)ccc21 225103184 DEJZTOBZSLZAQF-CQSZACIVSA-N 370.474 4.106 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)COc3ccccc3C(C)C)ccc21 225121432 HQUTZAVVBIYSOK-UHFFFAOYSA-N 370.474 4.224 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 225326793 GYJBSQLRYZHEQS-LBPRGKRZSA-N 351.497 4.001 0 40 FIAB O=C(NCc1ccc(-c2cccnc2)nc1)c1cccc(C(F)(F)F)c1 225764395 ZYQFVQYKLNCNFA-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OC)cc1C(=O)OC 225799731 DFNLKFVXOYKHDM-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB Cc1cc(C(=O)N2CCC(Oc3cccc4cccnc34)CC2)c(C)o1 238896258 RBPFKWXVPBHADZ-UHFFFAOYSA-N 350.418 4.128 0 40 FIAB CCN(CCCl)c1ccc(NN=C2C(=O)C=Cc3ccccc32)cc1 257351746 GWANZBFSRPKQQL-UHFFFAOYSA-N 353.853 4.164 0 40 FIAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1 409017038 DMFYAZXCUMJVSN-MHWRWJLKSA-N 371.414 4.178 0 40 FIAB O=C(Nc1ccccc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 409111967 AZZPTDYIOUQIPN-UHFFFAOYSA-N 368.380 4.380 0 40 FIAB c1cncc(Oc2ccc(NCc3ccc(Oc4cnccn4)cc3)cn2)c1 554034698 DETUVTUBBKXNPG-UHFFFAOYSA-N 371.400 4.463 0 40 FIAB CCC[C@@]1(CO)CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 585085139 KZHFQRNOVPAIHX-JOCHJYFZSA-N 371.452 4.029 0 40 FIAB CC(C)N1CCC2(CC1)C[C@@H](NC(=O)c1ccccc1)c1ccccc1O2 585105946 SQOONJOMXASDRZ-HXUWFJFHSA-N 364.489 4.183 0 40 FIAB Cc1cnc(-c2nccnc2[C@@H]2CCCN(Cc3c[nH]c4ccccc34)C2)[nH]1 585182385 BOFOXENPAOXIPH-MRXNPFEDSA-N 372.476 4.036 0 40 FIAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)N=c1cc[nH]cc1Br 666492599 REVYBVQTVDOGNT-MRXNPFEDSA-N 374.282 4.252 0 40 FIAB COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1cc(Cl)nc2ccccc12 1638386773 JUTPOOYXYXVCBV-WIYYLYMNSA-N 366.848 4.357 0 40 FIAB COc1ccc(-c2n[nH]c(SC[C@H](OC)c3ccc(F)cc3)n2)cc1 1640703021 KVSGFAHJJFQWND-INIZCTEOSA-N 359.426 4.099 0 40 FIAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(Br)c1 753331 AZFAFVSLUOYTKG-QPJJXVBHSA-N 360.207 4.138 0 40 FIAB COC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 1020530 HKYHZJAIPJIMIN-UHFFFAOYSA-N 362.307 4.036 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 1927063 PGNZLBXIGLBHNK-UHFFFAOYSA-N 359.404 4.154 0 40 FIAB Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2cnccn2)cc1 2357787 ZJLNQWWPCBSDSU-UHFFFAOYSA-N 359.458 4.325 0 40 FIAB Cc1ccccc1-c1nnc(SCc2cccc(C(F)(F)F)c2)n1N 2377078 SVOLABIXYZHVQL-UHFFFAOYSA-N 364.396 4.278 0 40 FIAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 2794110 CJKYOJFCHAANLM-LRDDRELGSA-N 365.399 4.040 0 40 FIAB Cc1nonc1NC(=O)c1ccccc1C(=O)Nc1cccc2ccccc12 3095521 UBNUNQMVRTXPSY-UHFFFAOYSA-N 372.384 4.036 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1C 3320932 OBFZSRRSOXWMPG-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB N=C(N)Sc1cn(Cc2ccc(Br)cc2)c2ccccc12 3866081 YBHGMZFJGFTXTQ-UHFFFAOYSA-N 360.280 4.438 0 40 FIAB CCSc1cccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)c1 4585789 PJAIEFQOTLLCJY-UHFFFAOYSA-N 355.419 4.110 0 40 FIAB C[C@@H](NC(=O)COC(=O)C1(c2ccccc2)CCCC1)c1ccc(F)cc1 5015395 GAFOJARDLMQOHM-MRXNPFEDSA-N 369.436 4.058 0 40 FIAB CC1(C)C(=O)CC[C@@]2(C)[C@@H](OC(=O)c3ccc(C(=O)O)cc3)CCC[C@H]12 5369678 HLCQFDVUPLXRDK-LDBYXDLTSA-N 358.434 4.106 0 40 FIAB CCN(CC)c1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 5518339 YZSIKQNGZNWPOY-UHFFFAOYSA-N 355.511 4.219 0 40 FIAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 5710637 IBYYSUHOILLQQC-HNNXBMFYSA-N 372.490 4.231 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Oc2ccc(Br)cc2)n1 6810461 RQPRCHZPAIBYHY-UHFFFAOYSA-N 373.659 4.224 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(CN2CCCCC2)cc1 7447548 HXDOWFNODZDUBD-UHFFFAOYSA-N 361.489 4.013 0 40 FIAB CCc1ccc([C@@H](NCC(=O)Nc2cc(OC)ccc2OC)C(C)C)cc1 7872465 AZVONPBQBXSBBD-QFIPXVFZSA-N 370.493 4.192 0 40 FIAB COC(=O)c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1C 8049393 NCRKISRJTAASDE-UHFFFAOYSA-N 355.434 4.097 0 40 FIAB C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cc2ccccc2o1 8238774 WTWSMASGWTWOGV-KZULUSFZSA-N 366.442 4.113 0 40 FIAB Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@H](C)c2ccncc2)c1Cl 8457304 GQDGQWOWFLWYRO-LLVKDONJSA-N 359.278 4.045 0 40 FIAB Cc1ccc(SCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 9062783 UJMJEDYOFJIGDL-UHFFFAOYSA-N 368.546 4.116 0 40 FIAB COc1ccccc1Cc1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 9614699 HPLAARACVOVTGK-AWEZNQCLSA-N 367.474 4.270 0 40 FIAB Cc1cc(Br)ccc1NC(=O)CCc1ccc2c(c1)OCO2 10446724 YYSNZUTUSLWOMS-UHFFFAOYSA-N 362.223 4.058 0 40 FIAB COc1cccc(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c1OC 11131992 YATFRYWCGBXVQU-QRYOHXEKSA-N 372.461 4.035 0 40 FIAB CC(C)(C)[C@H]1CCc2noc(C3CCN(C(=O)c4cccnc4)CC3)c2C1 12119740 YZIZOAGOJCRVTR-KRWDZBQOSA-N 367.493 4.240 0 40 FIAB C[C@@H]1CCc2noc(C3CCN(C(=O)c4c(F)cccc4F)CC3)c2C1 12120318 FNWNFYDBUWUVEK-GFCCVEGCSA-N 360.404 4.097 0 40 FIAB Cc1cc(C(=O)N[C@H](c2ccccc2)C2CC2)c2nc3n(c2n1)CCCCC3 12773664 AKUMAVCIUSSDTB-HXUWFJFHSA-N 374.488 4.347 0 40 FIAB O=C(Nc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1)C1CC1 12906958 BQPQBEPTLJZWRZ-UHFFFAOYSA-N 352.825 4.244 0 40 FIAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccccc1F 12909528 MQQOTTOTQMQBNW-UHFFFAOYSA-N 353.422 4.097 0 40 FIAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C(C)C 13995618 HOOXLCMIWUGEIL-UHFFFAOYSA-N 354.479 4.305 0 40 FIAB CN(C)[C@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 14263243 ZLFJVVQRPOEFFB-GOSISDBHSA-N 369.852 4.028 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(C)cc1 14401875 ACDOAACBWDBBTE-HXUWFJFHSA-N 373.518 4.211 0 40 FIAB O=C(Oc1ccc(Br)cc1)c1cc(-c2cccs2)on1 15669788 INSVHCNWTYKXLE-UHFFFAOYSA-N 350.193 4.385 0 40 FIAB O=C(Sc1nnc(-c2ccco2)o1)c1ccccc1Br 16449427 DKVWITOONUYCQF-UHFFFAOYSA-N 351.181 4.025 0 40 FIAB CCC(CC)C(=O)N1CCCC[C@H]1c1nn(C)cc1-c1onc(C)c1C 19500189 PGDSLUKWPOLVQH-KRWDZBQOSA-N 358.486 4.182 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccccc2)CC1 19597537 KKBKMWMJZQXJFX-UHFFFAOYSA-N 363.383 4.055 0 40 FIAB Clc1ccc(OCc2cc([C@@H]3CCN(Cc4ccncc4)C3)n[nH]2)cc1 19695886 NDFAIIBAQYLVSJ-MRXNPFEDSA-N 368.868 4.027 0 40 FIAB O=C(NCc1ccc(F)cc1)[C@@H](SC1=NCCS1)c1ccccc1 19926847 ZJIVQLAHLOMJKB-INIZCTEOSA-N 360.479 4.019 0 40 FIAB Cc1ccc(CNC(=O)CSCc2ccccc2Br)cc1 20238175 RGQIHTWSJOLRQX-UHFFFAOYSA-N 364.308 4.307 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 20455522 WUTKXFGPYUJFNV-INIZCTEOSA-N 363.841 4.462 0 40 FIAB Cc1ccccc1Cn1ccc(NC(=O)c2cccc(Br)c2)n1 21573976 AMUVGDUTIQFXSH-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB Cc1c(C(=O)COC(=O)c2ccc(Cn3cccn3)cc2)oc2ccccc12 21921958 LPFCFVCRWFITMO-UHFFFAOYSA-N 374.396 4.026 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236474 ORHGCOLMBWGSOH-UHFFFAOYSA-N 352.409 4.055 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 22509882 IYQUOQXOAVFAIM-UHFFFAOYSA-N 358.441 4.237 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(F)cc3F)c2C1 23873419 ZHTPZXIDMVNICX-UHFFFAOYSA-N 367.399 4.143 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1ccc(CN2CCCC2)cc1 24114827 IYOVWTPMRZWWGE-KRWDZBQOSA-N 354.519 4.079 0 40 FIAB O[C@]1(c2ccc(F)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 27525110 WKFVOYUXQJBDHK-FQEVSTJZSA-N 359.852 4.129 0 40 FIAB Cc1nn(Cc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)o2)c(C)c1Cl 27981090 KHKMYLMNXUEUTL-LBPRGKRZSA-N 369.852 4.386 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)no2)cc1F 27991994 ZFMOUQFBPGDPHR-UHFFFAOYSA-N 360.414 4.091 0 40 FIAB COc1cccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1 32647559 VYRWQHCPRXFCES-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1nc2cc3c(cc2s1)OCCCO3 32719654 TWAHPRYROVHCCV-UHFFFAOYSA-N 374.849 4.292 0 40 FIAB O=C(CCOc1cccc(Cl)c1)NCCc1cccc2cccnc12 32922883 XRHZATLRSOGIIJ-UHFFFAOYSA-N 354.837 4.016 0 40 FIAB S=C(Nc1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35289085 YPIBUBIYOPUOIL-IHWFROFDSA-N 351.519 4.169 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1 38673461 FOSNUGXNYRPXJA-CQSZACIVSA-N 357.401 4.191 0 40 FIAB COc1ccc(OC)c(CN(C[C@@H](O)c2ccccc2Cl)C2CC2)c1 40105741 WUQASJNMDLHWEI-LJQANCHMSA-N 361.869 4.055 0 40 FIAB COc1ccc(C2=CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 40119685 ALMWIEKKSRORPF-UHFFFAOYSA-N 360.457 4.425 0 40 FIAB Cc1nnc2sc(-c3cc(Cl)c(Br)c(Cl)c3)nn12 45920145 SFUGNDOSHCCYSG-UHFFFAOYSA-N 364.055 4.231 0 40 FIAB CC(C)(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078754 VSZJPDUYLKNPJU-UHFFFAOYSA-N 370.880 4.461 0 40 FIAB CCOC1CCN(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 54820677 CMBXZTDCGJNUKB-OAHLLOKOSA-N 373.522 4.390 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccn(Cc3ccccc3)n2)cc1 55447259 JNJAFFULHWWCBZ-HNNXBMFYSA-N 367.474 4.059 0 40 FIAB COC(=O)c1c(C)nn(-c2nc3c(Cl)c(Cl)ccc3s2)c1C 57351375 WTQGSTCJVRQKGG-UHFFFAOYSA-N 356.234 4.192 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H]1CCC(C)(C)c2ccccc21)c1cccs1 58157916 LJMBJLQXHUJBRM-ZWKOTPCHSA-N 370.518 4.244 0 40 FIAB O=C(Nc1ccccc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58191272 KMNHRPZAVVGKDH-HNNXBMFYSA-N 366.396 4.287 0 40 FIAB COc1cc(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1OC(C)C 58305324 OSCHJUPTGACWMN-PZJWPPBQSA-N 369.461 4.133 0 40 FIAB Cc1nc(C2(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CCCCC2)no1 58403063 BKHGGOMKNYNYGT-CABCVRRESA-N 359.857 4.111 0 40 FIAB CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2)nc2ccsc2c1=O 67335125 QQJDZICQNDGJAL-GFCCVEGCSA-N 373.503 4.160 0 40 FIAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3)n2)cc1 67898534 OLDPDOJGCUNHOA-IBGZPJMESA-N 353.853 4.304 0 40 FIAB biogenic,in-vitro CC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 70915625 NVLVYKWFJWQKMG-UHFFFAOYSA-N 365.429 4.122 0 40 FIAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72349088 AULRQRZGQLFHRV-IBGZPJMESA-N 373.456 4.172 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccc(Br)cc2)C1 89223542 PLMQOGPOUGEETK-LBPRGKRZSA-N 355.276 4.118 0 40 FIAB CC(C)CN1CCC2(CC1)C[C@@H](NCc1ccccn1)c1ccccc1O2 96242838 YIHLKENHIOSMPK-OAQYLSRUSA-N 365.521 4.186 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2ccc3nc(N)sc3c2)c(Cl)c1 216786600 AOHMJPBADPPXKU-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222664075 AVYQVMSOMAIFIC-LZQZEXGQSA-N 353.491 4.460 0 40 FIAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C 223457947 UXKZJSAINBPZEB-SFHVURJKSA-N 364.489 4.225 0 40 FIAB CCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC 223679266 ZSOZXPPSUZGPIE-UHFFFAOYSA-N 360.262 4.365 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)cc1C 224441952 WRLKAWYKMNVCQT-QGZVFWFLSA-N 361.869 4.309 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc(C)c(C)c1 224626982 XJPHKFCTCYEPNN-KRWDZBQOSA-N 371.477 4.046 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2ccc(OC)cc2OC)cc1 225621755 QTQGGLYMBMWZSR-UHFFFAOYSA-N 374.506 4.022 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1 225706552 QZPCNKDDRDBWLK-OAHLLOKOSA-N 356.491 4.446 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(CC)c3C)N21 260759370 GHDUIXSWOLRFRV-LZQZEXGQSA-N 354.523 4.499 0 40 FIAB O=C(NCC[C@@H](CCO)c1ccsc1)c1cccc(C(F)(F)F)c1 575605931 FIBCCIJTKJULQS-LBPRGKRZSA-N 357.397 4.053 0 40 FIAB CO[C@@H](C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)[C@@H]1CCOC1 585100477 XXCPACKRCALMGI-OXQOHEQNSA-N 351.402 4.090 0 40 FIAB Cc1cc(C)n(CCCNC(=O)N2CCC[C@H]2c2cccc(C)c2C)n1 608619034 GBSQQLMOFSMBHD-FQEVSTJZSA-N 354.498 4.054 0 40 FIAB C1CCC(c2nc([C@@H]3CCCN(Cc4noc5c4CCCC5)C3)n[nH]2)CC1 679175167 PUQQWBIKGVHIBN-MRXNPFEDSA-N 369.513 4.099 0 40 FIAB Cc1cc(OCC2CCN(C(=O)c3ccc(Cl)s3)CC2)ccn1 1775995286 MBURGFCVDFRUPT-UHFFFAOYSA-N 350.871 4.036 0 40 FIAB Ic1ccc2scc(CN3CCCCC3)c2c1 701953 HOZHGQYXEPACQU-UHFFFAOYSA-N 357.260 4.492 0 40 FIAB CC(=O)Nc1ccc(C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 928947 BOVFKNDPKJYKLS-UHFFFAOYSA-N 371.487 4.242 0 40 FIAB Cc1cccc(C(=O)Nc2ccc3nn(-c4ccc(N(C)C)cc4)nc3c2)c1 990017 MHCYFGAUFGGGHK-UHFFFAOYSA-N 371.444 4.047 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236785 ZYJJAOGCMCGXMR-LLVKDONJSA-N 358.777 4.054 0 40 FIAB biogenic COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1293639 LKRUAISOKYTTNW-LLVKDONJSA-N 372.515 4.303 0 40 FIAB CCc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1 2713341 RJUWNTFHMRHXNB-UHFFFAOYSA-N 370.840 4.052 0 40 FIAB CCCOc1cccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1 2760165 SAAKCEWAJSFOKS-UHFFFAOYSA-N 353.397 4.112 0 40 FIAB COc1ccc(Cl)cc1N1C(=O)CC(c2nc3ccccc3s2)=C1N 3235224 FWQPVFUAQOOSEF-UHFFFAOYSA-N 371.849 4.023 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=S)NC(=O)c1ccc(Cl)cc1Cl 3259345 BACOIUYLDPSRCY-SNVBAGLBSA-N 365.285 4.459 0 40 FIAB O=C(c1ccccc1)N1CCc2cc3c(cc21)CCN3C(=O)c1ccccc1 3844725 FPYPVSDZZSEDQD-UHFFFAOYSA-N 368.436 4.092 0 40 FIAB biogenic Cc1ccc2cc(CCNC(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 3911741 URBJYWDOZWFEOH-UHFFFAOYSA-N 362.473 4.107 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 4171289 FEXAFCKHHNIGCS-UHFFFAOYSA-N 361.357 4.014 0 40 FIAB CCCCC(=O)NC(Nc1ccc(OC)cc1)(C(F)(F)F)C(F)(F)F 5645554 FGSLFJZKZBSINX-UHFFFAOYSA-N 372.309 4.234 0 40 FIAB CC(C)Cc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 6306554 GIIWJWQXRIZWMI-UHFFFAOYSA-N 353.875 4.186 0 40 FIAB CC(C)Cc1nnc(NC(=O)COc2ccccc2-c2ccccc2)s1 7643193 WEBZXCONXHVCEO-UHFFFAOYSA-N 367.474 4.421 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCCCO2 7985821 IUSJPGCDONVIDL-GOSISDBHSA-N 360.841 4.023 0 40 FIAB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc[nH]1 7986031 YBWKAOAOILMGHE-IBGZPJMESA-N 351.427 4.274 0 40 FIAB Clc1cc(CSc2nnc(-c3ccco3)o2)cc2c1OCCO2 8427884 VLLASRWUONPDIP-UHFFFAOYSA-N 350.783 4.047 0 40 FIAB COc1cc(C)ccc1O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 8943507 JZQLGJSIZLHXRK-LJQANCHMSA-N 352.390 4.059 0 40 FIAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)(C)C)ccc21 8959263 JLFUQTJYKRNUAW-UHFFFAOYSA-N 360.498 4.469 0 40 FIAB O=C(c1ccccc1Cl)c1cc2c(cc1Br)OCCO2 9028601 VTINKYZQIAUBGV-UHFFFAOYSA-N 353.599 4.105 0 40 FIAB COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 9141122 WPHISQJMVRXHHU-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB Cc1ccc2cc(CN(CC(C)C)C(=O)c3ccccc3F)c(=O)[nH]c2c1 9232712 QRNMYIKAFPUIIM-UHFFFAOYSA-N 366.436 4.274 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1c(F)cccc1F 10139701 HPEZYVLXRNBSLU-UHFFFAOYSA-N 369.415 4.264 0 40 FIAB CC(C)C(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 12323536 VOIWDTJAMZZZOW-FQEVSTJZSA-N 362.408 4.103 0 40 FIAB O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCCC1 12437820 OCYKDMNCVKMAQA-UHFFFAOYSA-N 366.486 4.448 0 40 FIAB COc1ccc(NC(=O)CCCSc2nc3ccccc3[nH]2)c(OC)c1 12542087 XHWRWKNROORHDI-UHFFFAOYSA-N 371.462 4.091 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12768207 JDIIWBOYOXKKOF-UHFFFAOYSA-N 350.462 4.292 0 40 FIAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13406913 GVBHYHFYTCVSPY-NUDIJZITSA-N 358.522 4.325 0 40 FIAB biogenic CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14001686 ODSYMLNLPNEFAE-SFHVURJKSA-N 368.477 4.319 0 40 FIAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCC(C)CC3)c12 17076659 GTTAIKHPAUQRSZ-UHFFFAOYSA-N 374.488 4.478 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1 19559009 IWPDXKSWYBGYCM-CYBMUJFWSA-N 369.852 4.245 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)O)cc1 20145372 ODBFPZXEEKOAGS-ZRDIBKRKSA-N 351.333 4.436 0 40 FIAB C[C@H](OC(=O)CSc1ccccc1Cl)C(=O)Nc1ccccc1F 21183396 ZAJPPKSZHFHSCK-NSHDSACASA-N 367.829 4.142 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1c2c(nn1-c1ccccc1)CCC2 22087986 VRIWQYWOZYKTFH-UHFFFAOYSA-N 356.429 4.024 0 40 FIAB Nc1ccc2[nH]c(-c3cc(I)ccc3Cl)nc2c1 22124667 UNJWGSBENHMEEO-UHFFFAOYSA-N 369.593 4.070 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cccc(OC)c1)O[C@@H](C)C2 24018327 SYFDWQQQNYFSKI-VFNNOXKTSA-N 353.418 4.069 0 40 FIAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 24968616 OPDGFLXEFWKFMO-YWZLYKJASA-N 361.445 4.018 0 40 FIAB CCOc1ccc(C(=O)N(Cc2ccc(OC)cc2)c2ccccn2)cc1 27744937 ZXXYSNVUKHGTDS-UHFFFAOYSA-N 362.429 4.336 0 40 FIAB C[C@H](N(C)S(=O)(=O)c1ccc(Br)cc1Cl)C(C)(C)C 28046088 MXRTWGXVJIIVTR-VIFPVBQESA-N 368.724 4.158 0 40 FIAB Cc1cc2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc2[nH]1 31721948 WDTUWKHUZFYHTQ-UHFFFAOYSA-N 354.353 4.296 0 40 FIAB CC(=O)c1ccccc1OCCSc1nnc(NC(C)(C)C)s1 32609108 DYHGTOQXSBWTJJ-UHFFFAOYSA-N 351.497 4.122 0 40 FIAB CC(=O)Nc1ccc(OC(=O)c2ccccc2C(=O)c2ccccc2)cc1 32902189 XFFIPMMDJCNPBO-UHFFFAOYSA-N 359.381 4.095 0 40 FIAB O=C(CCc1cccc(F)c1)NCc1cccnc1Oc1cccc(F)c1 32924775 HTGAYLGQBNEIEG-UHFFFAOYSA-N 368.383 4.401 0 40 FIAB C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)C12CC3CC(CC(C3)C1)C2 32945276 SFAORFJRLMICHH-PGBBXINNSA-N 369.490 4.398 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2ccccc2C)c2ccccc2)cc1 36245999 XXEKXSYOAQZCQK-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(F)cc1Cl 36391223 DUOMJGWJFFODME-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB CC(C)c1nnc(C2CCN(C(=O)c3ccc(F)cc3Cl)CC2)o1 38670439 CPEPEMVMWJLDLC-UHFFFAOYSA-N 351.809 4.005 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 40086779 RROXOHFIJMICNY-MRXNPFEDSA-N 373.456 4.387 0 40 FIAB COc1cc(OC)c(NC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Cl 40103506 DHYANUBZUSFUSQ-VIFPVBQESA-N 366.767 4.163 0 40 FIAB COc1ccc(CNc2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1 40287635 UVOLDJZMAPFDDW-UHFFFAOYSA-N 367.474 4.036 0 40 FIAB Clc1ccc([C@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)cc1 48287483 JLFOWMSNJBSICS-OAHLLOKOSA-N 361.854 4.025 0 40 FIAB O=C(CN1CCC[C@@H]1c1ccc[nH]1)N(Cc1ccccc1)c1ccccc1 48299481 JUAYNDSWBAOTMM-JOCHJYFZSA-N 359.473 4.385 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1 57315253 SHNFPECLZFCHSM-LLVKDONJSA-N 368.811 4.225 0 40 FIAB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58029826 HCJLBBCPFYHITO-OXJNMPFZSA-N 355.434 4.392 0 40 FIAB Cc1c(C(=O)NC(C)(C)c2ccccc2)cnn1-c1cccc(Cl)c1 58153001 CPFNUYSMWGEGEK-UHFFFAOYSA-N 353.853 4.499 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 58343496 XURVBHNBPFDTRG-JTQLQIEISA-N 355.225 4.096 0 40 FIAB O=S(=O)(Nc1ccccc1Cl)c1ccc(F)c(C(F)(F)F)c1 63911149 AUHAHUXKERVGEC-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB CCOc1ccc2nc(NC(=O)c3ccc(N(C)C)c(F)c3)sc2c1 65530601 QRKAFYIKNMZMAE-UHFFFAOYSA-N 359.426 4.152 0 40 FIAB CC(C)CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 68713208 YYIWYOHKDFGAQH-DEOSSOPVSA-N 373.452 4.303 0 40 FIAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1C(F)(F)F 70636024 KIPOZKHSPWNDGF-GOSISDBHSA-N 359.347 4.322 0 40 FIAB Cc1ccccc1-n1nc(C(=O)N(C)c2ccc(N(C)C)cc2)c2c1CCC2 78493123 VDMIOWZALAMHJK-UHFFFAOYSA-N 374.488 4.012 0 40 FIAB CC(C)c1cc(C(=O)NCCOc2ccccc2-c2ccccc2)nn1C 81931547 JCNUXDZLJWALGY-UHFFFAOYSA-N 363.461 4.019 0 40 FIAB O=C(NNc1ncccn1)c1sc(-c2ccccc2)nc1-c1ccccc1 84559936 KZZMVJDNVRZBCJ-UHFFFAOYSA-N 373.441 4.024 0 40 FIAB CCOc1ccc2c(c1)C=C(C(=O)Nc1ccnn1C1CCCCC1)CO2 84810950 NVFDQTDGMGWJEY-UHFFFAOYSA-N 367.449 4.202 0 40 FIAB O=C1[C@H]2CSCN2[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 85389583 NIZRVLQDVKDPLB-CVEARBPZSA-N 365.285 4.414 0 40 FIAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Oc1ccc(C(C)=O)cc1 95348884 GINLXHIZUZMPNL-UHFFFAOYSA-N 368.414 4.189 0 40 FIAB CCN(CC)C(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21 96053495 RZAYFLGPQARTCC-IBGZPJMESA-N 370.537 4.056 0 40 FIAB Cc1ccc(CN2CCc3c(COCc4ccncc4)cncc3C2)s1 96059327 FNNTVTWGJLYTTL-UHFFFAOYSA-N 365.502 4.122 0 40 FIAB COC(=O)c1occc1/C=C(/CCC(=O)O)c1nc2ccccc2s1 96930352 IKIQVKRIDDDYSN-BENRWUELSA-N 357.387 4.081 0 40 FIAB CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 100775571 LOXAVPGXXWVKKH-MUIFIZLQSA-N 372.262 4.097 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(F)cc1 219023725 QTWPIBPRKVBBQM-INIZCTEOSA-N 351.421 4.495 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219326954 CESKRBUURUCECC-QZTJIDSGSA-N 357.425 4.402 0 40 FIAB CC[C@@H](NC(=O)COc1ccccc1C(C)C)c1ccc(OC)c(OC)c1 222813479 XFPJRGMZKJPOSE-GOSISDBHSA-N 371.477 4.474 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 222897954 NTTZIHNVKSTBOW-UWJYYQICSA-N 355.478 4.299 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccccc1F)CC(C)(C)O2 224112481 VBWXJQCCMIBTPZ-GOSISDBHSA-N 357.425 4.186 0 40 FIAB Cc1ccc(C(=O)Nc2cc(C)ccc2C)c(I)c1 225009348 NGDLIMDLFVXNHS-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225533930 DSXGPYGUHODAKG-UHFFFAOYSA-N 366.505 4.468 0 40 FIAB Cc1cc(N)cc(Br)c1NC(=O)Cc1ccc(Cl)cc1 226755909 NKMKUIAGVBEEDT-UHFFFAOYSA-N 353.647 4.174 0 40 FIAB Cc1ccc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(C)C3)ccn2)cc1C 257259056 KWQXNQLLTHTHRB-IBGZPJMESA-N 361.493 4.120 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)S1 260786370 WOVUKKKQZPXSHH-UIAACRFSSA-N 360.486 4.462 0 40 FIAB O=C(C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1ccc(F)cc1 542606438 LXYBQUGWKYQPSH-NRFANRHFSA-N 359.400 4.183 0 40 FIAB CN(C(N)=O)c1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 1618681194 BSDYTOIEPPNWEL-UHFFFAOYSA-N 361.401 4.246 0 40 FIAB O=C(Nc1cccc(F)c1)c1ccccc1C(=O)Nc1cccc(F)c1 842500 XYGQXLKJCGRXKX-UHFFFAOYSA-N 352.340 4.469 0 40 FIAB C[C@H]1CCc2sc3[nH]c(SCC(=O)c4ccccc4)nc(=O)c3c2C1 2372354 FRILEPNLFIAVMR-NSHDSACASA-N 370.499 4.084 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2C)c1 2723130 SUSKYLIDMQPAIK-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB CCCCOc1ccc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1 2920539 FNWVVRQNZIBGSN-RGEXLXHISA-N 351.402 4.219 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc2ncsc2c1 3479350 IELZFRAPIGDHAH-UHFFFAOYSA-N 360.822 4.054 0 40 FIAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c1 3521400 ZMEJFPKIYYHADX-AWEZNQCLSA-N 367.445 4.371 0 40 FIAB C[C@H](Sc1ncnc2c1nnn2-c1ccc(F)cc1)c1ccccc1 4166704 ZOKXQRPMWBIMKI-LBPRGKRZSA-N 351.410 4.203 0 40 FIAB COc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(C)=O)c(Cl)nc2c1 4981441 FQEKHGYRFCHRTB-KRWDZBQOSA-N 369.808 4.187 0 40 FIAB Cc1ccc(-c2c(NC(=O)c3ccco3)n(C)c3ccccc3c2=O)cc1 5322743 BFKIBFMOSCQXDM-UHFFFAOYSA-N 358.397 4.359 0 40 FIAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(F)c1C 6440734 GQDSRDMLGXLLOB-LIRRHRJNSA-N 372.440 4.414 0 40 FIAB CCOC(=O)c1c(NC(=O)c2onc(C)c2Cl)sc2c1CCCC2 6738150 LFUFHTBIPWMMFE-UHFFFAOYSA-N 368.842 4.006 0 40 FIAB CC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)cc2)CC(=O)N1 6819837 SYQCHVOPEHUGFF-KRWDZBQOSA-N 361.869 4.341 0 40 FIAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)ccc1Cl 7221858 WGGYGZFAMGSPAF-JTQLQIEISA-N 367.232 4.204 0 40 FIAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 7546219 UWIONZDQQKLGDV-RKTOFFCOSA-N 352.522 4.201 0 40 FIAB Cc1c(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)oc2ccccc12 7706241 VLOAWTHUZIIIAT-HNNXBMFYSA-N 360.417 4.155 0 40 FIAB C[C@@H]1CCc2sc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2C1 7980208 QLLNJCBBRGRGNB-LLVKDONJSA-N 372.881 4.359 0 40 FIAB CC(C)(C)C1CCC(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 8128309 IMPNVGVPQQDRFB-UHFFFAOYSA-N 373.465 4.474 0 40 FIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1ccc(Br)cc1)C2 8367550 PSYPFYPIAHWPGI-UHFFFAOYSA-N 359.267 4.020 0 40 FIAB CC(C)Sc1nnc(NC(=O)c2ccc(Br)cc2)s1 8792861 HCJRBDAWNSHSMZ-UHFFFAOYSA-N 358.286 4.053 0 40 FIAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(C)C 8884055 VWOJFDVNXNGRJQ-GZTJUZNOSA-N 351.402 4.135 0 40 FIAB O=C(C(=O)N1CCCC1)c1cn(Cc2ccccc2Cl)c2ccccc12 9668666 RFFQNARNUFDWDH-UHFFFAOYSA-N 366.848 4.148 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2cc3ccccc3o2)cs1 9873130 ACXMOANYNPSODR-UHFFFAOYSA-N 353.403 4.342 0 40 FIAB O=C(NCc1ccccc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11246742 LMNJTSCDDYHDDQ-UHFFFAOYSA-N 355.397 4.334 0 40 FIAB CC[C@H](C(=O)OCC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 11414922 QMGGRERWBYZMHM-AWEZNQCLSA-N 372.421 4.111 0 40 FIAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3Cl)cc2s1 12650862 GGTDEHDKKUMRJB-UHFFFAOYSA-N 374.853 4.336 0 40 FIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-n2cncn2)cc1 12985958 SQDNHFWIQQQSMS-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 15599698 NKEFDONATCPNPF-KRWDZBQOSA-N 364.367 4.220 0 40 FIAB O=C(c1cccc(Br)c1)N1CCc2cc3ccccc3nc21 15841751 QYUAYRRMEPXBPA-UHFFFAOYSA-N 353.219 4.200 0 40 FIAB Cc1ccc(OCc2nc(C)c(C(=O)NCCc3ccccc3)s2)cc1 17357640 UWCBGASHEORHQP-UHFFFAOYSA-N 366.486 4.311 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC 20489799 BJOLKXPVSRXJRN-STQMWFEESA-N 363.841 4.002 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)cc1 21596411 DXFRTRHTEGDXTI-UHFFFAOYSA-N 350.443 4.235 0 40 FIAB C[C@H]1CCCN(Cc2nc(O)c3sc(-c4ccc(F)cc4)cc3n2)C1 24165008 QCHGTYSAWGXSCM-LBPRGKRZSA-N 357.454 4.435 0 40 FIAB CCOc1ccc(-c2nsc(NC(=O)c3ccccc3F)n2)cc1OC 27994103 NSZKNHDWHNYBCD-UHFFFAOYSA-N 373.409 4.004 0 40 FIAB COc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1Br 30763572 FGLUGRWHCPTCNK-MRXNPFEDSA-N 374.278 4.305 0 40 FIAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@H](C)c2cc(C)sc2C)C(C)C)cc1 31951652 MVNQMZBXOZGSDG-BEFAXECRSA-N 372.534 4.305 0 40 FIAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 35291152 VQCKUKFFPBDQHE-UHFFFAOYSA-N 371.481 4.231 0 40 FIAB Cc1ccc(OCCN(C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 40096747 WCUABGCHMCKSIR-UHFFFAOYSA-N 374.309 4.233 0 40 FIAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)n1 40159188 WFJROLXNVNJIQC-JTQLQIEISA-N 369.895 4.266 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 45613758 IZDMLMAZFBOBLD-MRXNPFEDSA-N 368.477 4.226 0 40 FIAB O=C(CSc1nncs1)Nc1nc(-c2ccc(Cl)s2)cs1 48352190 RYBFEECEMVMTEL-UHFFFAOYSA-N 374.925 4.107 0 40 FIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1OC 53388066 WZSORYSOBZPJND-OAHLLOKOSA-N 353.462 4.003 0 40 FIAB Cc1sc(CNC(=O)/C=C/c2ccncc2)nc1-c1ccc(Cl)cc1 56248583 TVXSRIWUKSQXAX-FARCUNLSSA-N 369.877 4.497 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 57188845 UJGYJCGFSQVSAD-FMEYXAORSA-N 374.481 4.436 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)CSc2nc3ccccc3o2)c1 58377118 QXKDBXTXROGGMU-QGZVFWFLSA-N 368.458 4.292 0 40 FIAB Fc1ccc(-c2cc(CC3(NCc4ccccc4Cl)COC3)no2)cc1 67897861 ZLCWGLHYIPAZNR-UHFFFAOYSA-N 372.827 4.235 0 40 FIAB biogenic,in-vitro CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72214385 LKEMUZPNTWOKSO-KRWDZBQOSA-N 367.449 4.406 0 40 FIAB C[S@](=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 72298065 DNXZUWKNWCVKJX-JOCHJYFZSA-N 353.896 4.198 0 40 FIAB CCO[C@H](CCNC(=O)c1cccc(NC(=O)c2cccs2)c1)C(C)C 72307165 XZBTXLXMXTYBLU-QGZVFWFLSA-N 374.506 4.181 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1OCC 72331520 NWBJKGCAQLZCOA-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB CCc1ccc(CNC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 72333798 BJZPRYZWQVMZCC-UHFFFAOYSA-N 353.462 4.020 0 40 FIAB Cc1cc(C(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)c(C)o1 77200346 NUNHXLWZZCQCIW-DLBZAZTESA-N 374.412 4.325 0 40 FIAB CCOc1cc(CN[C@@H]2CCCC[C@@H]2O)ccc1OCc1ccccc1 78761196 SXFBUBQJVWAWSR-UXHICEINSA-N 355.478 4.057 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccn3)cc1)SCC(O)=N2 79473378 PGWUGNXGWIJUAH-GOSISDBHSA-N 366.446 4.116 0 40 FIAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC[C@@H]1C1CCCCC1 84582947 SICZNJVFUMAMMJ-AEFFLSMTSA-N 358.507 4.061 0 40 FIAB COc1ccc2nc(S[C@H](C(=O)N3CCCC[C@@H]3C)C(C)C)[nH]c2c1 84692147 MALIGIDQISSWST-GUYCJALGSA-N 361.511 4.089 0 40 FIAB COc1ccccc1-c1nc(C(=O)Nc2cnc(Cl)c(C)c2)cs1 85310830 GWLVFTYSTSQEMV-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccc(Cl)cn1 89337220 KTSLRHKXWZUVLH-UHFFFAOYSA-N 372.900 4.190 0 40 FIAB C1CCCN(Cc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)CC1 95481703 OGYONNVWYBHJHK-UHFFFAOYSA-N 371.554 4.030 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1c1nc2ccccc2o1 96122568 MHLVPYWYSSHUGU-HNNXBMFYSA-N 359.788 4.228 0 40 FIAB CC(C)(C)OC(=O)NCC1(Cc2cccc(C(F)(F)F)c2)CCNCC1 98213608 VVQRKCDIXBPOMS-UHFFFAOYSA-N 372.431 4.142 0 40 FIAB c1ccc(CN[C@@H]2CC[C@H]3S[C@H]2CC[C@H]3NCc2ccccc2)cc1 101171726 LLRPUFMACFGFPY-YSFYHYPLSA-N 352.547 4.361 0 40 FIAB Cc1nc(SCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc2n1 101922956 YLAXHVCPGYWIJJ-VFNWGFHPSA-N 369.534 4.458 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2F)C[C@@H](c2ccccc2)C1 102590718 PCCQDTJBJBCMEV-JLTOFOAXSA-N 360.392 4.482 0 40 FIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1cccnc1 223447943 MAJNTTFWPJAIJT-IRXDYDNUSA-N 366.515 4.019 0 40 FIAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 223783818 GCIFXUIJRDZKFF-RBUKOAKNSA-N 365.458 4.250 0 40 FIAB COc1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 223915808 OOFCPDAMXKNHJI-UHFFFAOYSA-N 373.865 4.490 0 40 FIAB S=C(Nc1ccc(N2CCCc3ccccc32)nc1)NC1CCCC1 224035548 JBJUMHPUVVOQJL-UHFFFAOYSA-N 352.507 4.395 0 40 FIAB CCC(CC)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 224047665 KPHFEVOCITVLIQ-UHFFFAOYSA-N 374.506 4.023 0 40 FIAB CCSc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 224627617 DNZRTWREZQSHGJ-UHFFFAOYSA-N 354.519 4.324 0 40 FIAB Cc1cccc2sc(NC(=O)c3cccnc3O[C@H]3CCSC3)nc12 225727242 LVCJWYPGEVXFJB-LBPRGKRZSA-N 371.487 4.136 0 40 FIAB O=C(CSCc1ccccc1)NCc1ccnc(-c2ccsc2)c1 225755063 HWESKDWNWOAJMS-UHFFFAOYSA-N 354.500 4.360 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2c(Br)cc(N)cc2Br)C1 226300912 QGYOXUYFOQRDFY-RKDXNWHRSA-N 362.109 4.276 0 40 FIAB c1ccc(CCN2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)cc1 257267868 MJDFDNJGCMTHNT-LJQANCHMSA-N 359.477 4.037 0 40 FIAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1coc(C2CCCC2)n1 329936904 LGDSVVKRJAZCPU-KRWDZBQOSA-N 354.450 4.188 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1C 408652013 DADVLQJWBTXBHV-IBGZPJMESA-N 359.425 4.415 0 40 FIAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408667996 QRRIDBSLJPBMOS-SJLPKXTDSA-N 365.473 4.499 0 40 FIAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1 408817924 YUIVVBGJUXAYMQ-PDGQHHTCSA-N 369.442 4.330 0 40 FIAB O=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 408851648 FFDGLXVUWHGARA-UHFFFAOYSA-N 369.598 4.192 0 40 FIAB Cc1cccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(F)cc2)c1 408970090 AHFZCZAVHYZXTA-UHFFFAOYSA-N 366.392 4.004 0 40 FIAB COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409110885 ZIDJKXFBFRAHQS-YVLHZVERSA-N 367.445 4.256 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1 409248489 KRJRTJDZFAXFFI-CXUHLZMHSA-N 361.228 4.395 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCCn1ccc2c(Cl)cccc21 524735785 YNKWOFHQDOCPCY-UHFFFAOYSA-N 351.837 4.135 0 40 FIAB CCn1ncc(CN[C@@H](c2ccc(F)c(C)c2)c2ccccc2Cl)n1 585087133 RTFPFSHLNVJJHM-IBGZPJMESA-N 358.848 4.278 0 40 FIAB CCOc1ccc(NC(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1 585148062 DZYAKMZYLYUDKW-IBGZPJMESA-N 366.417 4.200 0 40 FIAB CC(=O)N1CCC[C@H](NCc2cccc(C)c2C)[C@@H]1Cc1cccc(C)c1 585286474 RCLBTHLRWIHLGC-ZEQRLZLVSA-N 364.533 4.324 0 40 FIAB CCC1(O)CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 607939445 FVDFWKRRDIQBRT-UHFFFAOYSA-N 372.515 4.402 0 40 FIAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc2ncccc2c1 623260286 DXCAXIGLWLZUFY-UHFFFAOYSA-N 355.397 4.352 0 40 FIAB CC(C)(C)OC(=O)N(CCOc1ccc(C(=O)O)cc1)Cc1ccccc1 1882580329 ALPBLMTZSRRKQB-UHFFFAOYSA-N 371.433 4.201 0 40 FIAB CCOC(=O)c1cccc(CSCC(=O)Nc2ccc(CC)cc2)c1 938119 BURRHYVQRWZUIH-UHFFFAOYSA-N 357.475 4.298 0 40 FIAB O=C(CC(=O)Nc1ccc(Cl)cn1)Nc1ccc(Cl)c(Cl)c1 1405816 FLXYOTFBQPTSLT-UHFFFAOYSA-N 358.612 4.009 0 40 FIAB CCCCOC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 1778534 YXZYQJPOIUSUQE-LLVKDONJSA-N 350.509 4.252 0 40 FIAB Cc1nc2oc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 2236110 ONTQEPFPQDPNQQ-UHFFFAOYSA-N 364.405 4.136 0 40 FIAB CC(=O)Nc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 2303242 DNKFPMNPYCEKDA-UHFFFAOYSA-N 356.385 4.443 0 40 FIAB CCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2333651 NPQZIHGJCQBTIS-UHFFFAOYSA-N 374.444 4.090 0 40 FIAB Cc1ccc2nc(N3C(=O)/C(=C/c4ccccc4)N=C3S)sc2c1 2336225 JJYGJYBNNVIPSC-UVTDQMKNSA-N 351.456 4.278 0 40 FIAB O=C(c1cc(Cl)nc(Cl)c1)N(Cc1cccnc1)Cc1cccnc1 2556143 FZSRZIRVHDVRDB-UHFFFAOYSA-N 373.243 4.021 0 40 FIAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc(SC(F)F)cc1 3225093 PMBATBXGVYOTEO-BQYQJAHWSA-N 369.414 4.258 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1nc2c(C)cc(C)cc2s1)c1ccccc1 3415296 XUZJBBHFMWMRGI-INIZCTEOSA-N 367.474 4.119 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc2c(s1)CCCC2 3452083 WJPMGIAJTHKRTJ-UHFFFAOYSA-N 355.488 4.327 0 40 FIAB Cc1cccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1 3542694 ASERVGFOGIDVDK-UHFFFAOYSA-N 351.402 4.094 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2C)c1 4581801 PEIMZCVGLHAUSS-CQSZACIVSA-N 365.385 4.128 0 40 FIAB O=C1N[C@H](c2ccc(N3CCC(c4ccccc4)=N3)cc2)Nc2ccccc21 4871661 SIQQSJTXPVADIA-JOCHJYFZSA-N 368.440 4.155 0 40 FIAB N[C@@H](CSC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O 5048654 COCBSHSLZGLMNC-FQEVSTJZSA-N 361.466 4.104 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccco1 5136289 TUSWPAQHBFMGQA-UHFFFAOYSA-N 352.415 4.186 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)c(C)c1 5249067 TXPHUXAMCYZOMS-UHFFFAOYSA-N 360.870 4.267 0 40 FIAB O=C(CCc1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 5603000 UWHUVPZYMQFKIS-UHFFFAOYSA-N 357.866 4.354 0 40 FIAB COc1ccccc1CN(C)C(=O)COc1ccccc1-c1ccccc1 5638173 WHVLPRWBXHGURC-UHFFFAOYSA-N 361.441 4.400 0 40 FIAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCC1CCCC1 6431585 MKHBCAKXCLGPOJ-UHFFFAOYSA-N 357.281 4.361 0 40 FIAB CC1CCN([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 6650396 WSCSQQCFFWPHOI-GFCCVEGCSA-N 365.449 4.147 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2F)cc1 6919501 ZKTOZBHMYODQKK-UHFFFAOYSA-N 352.818 4.168 0 40 FIAB CC(C)COc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 6988435 ZIVDMSUVIGGACV-UHFFFAOYSA-N 352.434 4.101 0 40 FIAB COc1ccc(CN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C2CC2)cc1 7116222 KHSYOKZIZOGHDK-MRXNPFEDSA-N 371.864 4.091 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1C[C@@H](C)C[C@H](C)C1 7718721 FWOSHMYRARXRPU-KBPBESRZSA-N 359.901 4.320 0 40 FIAB COc1cc(NCC(=O)Nc2ccc(C)cc2Cl)c(OC)cc1Cl 7978835 OLRQOQCYXDFSOP-UHFFFAOYSA-N 369.248 4.370 0 40 FIAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)C12CC3CC(CC(C3)C1)C2 8749005 UYAWHFZXSKMCMR-XXWNAHEMSA-N 359.539 4.271 0 40 FIAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1 8945542 RIWCHLATPOPNBA-JXMROGBWSA-N 359.223 4.059 0 40 FIAB CCc1cccc(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c1 11658446 SYUXROYRIFGUQF-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2[C@@H]2CCCO2)on1 12142277 FZBGGMQXIOTVMI-INIZCTEOSA-N 354.385 4.043 0 40 FIAB COc1cccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)c1 12222685 MIUOZZBWZUUIGS-UHFFFAOYSA-N 358.401 4.419 0 40 FIAB COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccc(OC)cc2)nc1C 12535206 HPQHVBIPAAUOGL-UHFFFAOYSA-N 373.412 4.396 0 40 FIAB C[C@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(N(C)C)cc1 12535561 RDFXQPWATXCLKE-AWEZNQCLSA-N 366.490 4.262 0 40 FIAB O=C(NC1CC1)[C@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 12633618 OHNMWKWAZMIEMH-MRXNPFEDSA-N 363.230 4.020 0 40 FIAB COc1cccc2cc(/C=C(\Cl)c3cc(=O)n4cc(C)ccc4n3)oc12 12870645 RHRHDDKYSKSLJR-DHDCSXOGSA-N 366.804 4.495 0 40 FIAB CCc1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)[nH]2)cc1 12924926 NROZORHSXIXMRN-UHFFFAOYSA-N 356.520 4.247 0 40 FIAB Cc1ccccc1NC(=O)c1cnc(Nc2nc(C)c(C)s2)nc1C 13610742 XGHQEDYJIONGPM-UHFFFAOYSA-N 353.451 4.163 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13689105 GMEQTZOTLKEKIG-HNNXBMFYSA-N 363.413 4.423 0 40 FIAB Cc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)o1 14165068 NQUWYWFBKSUYII-UHFFFAOYSA-N 359.813 4.342 0 40 FIAB Cc1ccc2c(COC(=O)c3sccc3-n3cccc3)cc(=O)oc2c1 14173170 YIHNIPSGPBOOKC-UHFFFAOYSA-N 365.410 4.311 0 40 FIAB O=S(=O)(Oc1ccccc1F)c1ccc(Br)cc1Cl 16089518 YQWMIYDYTKHNPE-UHFFFAOYSA-N 365.607 4.009 0 40 FIAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OC(C)C 16688293 CMERKOOZGOIUHY-SFHVURJKSA-N 360.841 4.380 0 40 FIAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccc(Cl)cc1 17191478 MVADEVIOKMXCPH-UHFFFAOYSA-N 369.877 4.239 0 40 FIAB COc1ccccc1OCCN(C)Cc1c(C(C)(C)C)[nH]c2ncccc12 19083435 NRWMWUCMZUPWEG-UHFFFAOYSA-N 367.493 4.380 0 40 FIAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(c2ccc(O)cc2)CC1 23016558 GKOAZHNRUSCCCB-AWEZNQCLSA-N 372.419 4.020 0 40 FIAB O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 23295001 BPVLGKITWZXZKU-SFHVURJKSA-N 374.912 4.199 0 40 FIAB Cc1c(C(=O)NCc2ccccc2Cn2cccn2)oc2c(F)cccc12 24624598 KSFOYSKUDIJWOQ-UHFFFAOYSA-N 363.392 4.055 0 40 FIAB COc1ccc(OCc2ccc(C(=O)N3CCc4ccccc4C3)o2)cc1 27983806 XQPQDEBGBZSDFX-UHFFFAOYSA-N 363.413 4.066 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccccc1 29762354 PHKVSKHHOPMDNO-INIZCTEOSA-N 354.450 4.013 0 40 FIAB O=C(CSc1cccc2cccnc12)NCCSCc1ccccc1 30835637 GNKJCFZXENUWAR-UHFFFAOYSA-N 368.527 4.377 0 40 FIAB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 32845822 GFLPLCQODWMIGU-HNNXBMFYSA-N 351.446 4.104 0 40 FIAB O=S(=O)(Nc1ccc2ncccc2c1)c1cccc(C(F)(F)F)c1 32933530 XCZDLNVJYGTOIU-UHFFFAOYSA-N 352.337 4.054 0 40 FIAB O=C(Cc1noc(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1F 35316254 YLJZZTJHVNCAPT-UHFFFAOYSA-N 366.179 4.364 0 40 FIAB COc1cccc(-c2cc(C(F)(F)F)nc(N3CCC[C@@H](C)C3)n2)c1 36612866 RFBNDFSSTWEFLX-GFCCVEGCSA-N 351.372 4.407 0 40 FIAB COc1ccc2cc(CN(C)[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)ccc2c1 37471623 VINFBPFYDDDKGD-KZNAEPCWSA-N 368.521 4.458 0 40 FIAB COc1nn(C)cc1C(=O)Nc1sccc1-c1nc2ccccc2s1 38493095 BOCJIRQGCIRNBC-UHFFFAOYSA-N 370.459 4.019 0 40 FIAB COc1ccc(N[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1Cl 40017895 BHXQRBLPULRVGX-GOSISDBHSA-N 371.824 4.437 0 40 FIAB O=C(Nc1ccnn1Cc1ccccc1)c1cc(F)cc(Br)c1 40130734 QCBDKYIGDOPBCG-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)cc2)c1 40288005 NSTTVCOGCAHFRQ-OAHLLOKOSA-N 367.380 4.152 0 40 FIAB Cc1oc(-c2ccccc2)nc1CS(=O)(=O)Cc1cccc(Cl)c1 44636999 SILQYRWJMNUTGB-UHFFFAOYSA-N 361.850 4.418 0 40 FIAB CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 52530348 YIDXBWFTQDFDLB-IRXDYDNUSA-N 362.256 4.237 0 40 FIAB COc1cccc(-n2ccnc2SC[C@@H](O)c2ccc(Cl)cc2)c1 58084943 FVCPVYXAAFDUOT-QGZVFWFLSA-N 360.866 4.360 0 40 FIAB c1ccc2sc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2c1 58171290 MOKSIAWFVCFTEG-MRXNPFEDSA-N 352.459 4.405 0 40 FIAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1)n1cnc2cc(F)c(F)cc21 58174749 GIXNXNNKZGZJBU-DJJJIMSYSA-N 357.404 4.389 0 40 FIAB C[C@H](O)CNc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 65547886 BSHIYUCLZAXQHS-NSHDSACASA-N 350.249 4.184 0 40 FIAB CCn1c(C)cc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1C 65818016 IJHGIZFEVOBKLI-UHFFFAOYSA-N 350.466 4.021 0 40 FIAB CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN(C)c3ccccc3)on2)C1(C)C 67890344 VCNIRXNQRRPNCM-UZLBHIALSA-N 369.509 4.040 0 40 FIAB biogenic,in-vitro O=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCC[C@H]1c1cccs1 69158751 SCBLEOSWQANBJS-AWEZNQCLSA-N 356.472 4.142 0 40 FIAB CC(C)OC(=O)[C@H](C)CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 72300950 YNPRTYMLCKUQKC-APWZRJJASA-N 371.502 4.224 0 40 FIAB O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72349390 FPAFDHZZPJRTII-OAQYLSRUSA-N 371.484 4.016 0 40 FIAB Cc1ccc(-c2cc(NC(=O)CCCc3nc4ccccc4[nH]3)[nH]n2)s1 78720243 RLNSWTAZUUFCAW-UHFFFAOYSA-N 365.462 4.284 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN(CC(=O)N[C@@H](C)c2ccco2)CC1 79943962 KWJFAOYSRXQCCS-HNNXBMFYSA-N 365.477 4.126 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)NCC3CCCCCCC3)c(C)n2n1 89610775 SNYNOGJZELLYNE-UHFFFAOYSA-N 356.514 4.064 0 40 FIAB Cc1sc(C(=O)N(C)[C@H](C)c2cnn(C)c2)cc1-c1ccc(F)cc1 95464424 GKZQABNGFFGMDD-GFCCVEGCSA-N 357.454 4.429 0 40 FIAB O=C(CCc1ccccc1F)NCc1ccc(C(=O)c2ccsc2)s1 96119916 POEJREUAEHIJPJ-UHFFFAOYSA-N 373.474 4.429 0 40 FIAB Cc1ccc(C2C[C@@H]3CC[C@@H](C2)N3C(=O)c2noc3c2CCCC3)cc1 100172299 IKGYVLOMQDHEBK-ROUUACIJSA-N 350.462 4.413 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nncc3ccccc23)C1 100983128 NGISVSWVBYTYEU-MGPUTAFESA-N 355.507 4.149 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 104660876 WKBQOCPBSYTXAG-AVGNSLFASA-N 364.371 4.051 0 40 FIAB COc1ccc(CCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 105058414 JRYWDPOALXMHOX-KRWDZBQOSA-N 355.478 4.253 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)c(C)o1 220912678 JUEPBKIYUPAHCB-CQSZACIVSA-N 371.462 4.103 0 40 FIAB Cn1cccc1CN(C(=O)c1ccc2c(c1)nc(Cl)n2C)C1CCCC1 222555505 NBUYCZVHBOJMCD-UHFFFAOYSA-N 370.884 4.150 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 222795105 RABUOTXTNNMQJC-VQTJNVASSA-N 362.502 4.173 0 40 FIAB COc1ccc(-c2ncc(C(=O)NCc3ccc(Cl)cc3)c(C)n2)cc1 223138532 DPPBINODERQZNI-UHFFFAOYSA-N 367.836 4.044 0 40 FIAB Cc1ccnc(NC(=S)NCCSCc2ccccc2Cl)c1 225297755 GLHKCCKJGUFWGS-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(OC)c(C)c2)cc1 225357788 WNLWLUOGYFYDGW-HXUWFJFHSA-N 355.478 4.458 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 225473153 AYTAUHATUCSAQH-SNVBAGLBSA-N 366.845 4.313 0 40 FIAB COc1cccc(NC(=S)NCCCc2cccc(OC(C)C)c2)c1 225564347 DYHPBMPVCPROJV-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB C[C@H](CCN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 248080455 PJJFJMCYGGLNNR-GCJKJVERSA-N 364.537 4.185 0 40 FIAB Cn1cc(CN2CCCC[C@@H]2c2ccc(-c3ccc(F)cc3)nc2)cn1 257309618 UBQNZCQZFLXWCF-OAQYLSRUSA-N 350.441 4.348 0 40 FIAB Cc1nc(CN2CCC(COc3cccc(C(F)(F)F)n3)CC2)cs1 585531840 IHKMPBCZOLKICA-UHFFFAOYSA-N 371.428 4.156 0 40 FIAB O=C(N=c1cc[nH]cc1)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 591109344 RQTONJWSDSWZAU-UHFFFAOYSA-N 371.223 4.294 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)NCc1ccc2occc2c1 661575509 UYICLSJFOXKRDU-UHFFFAOYSA-N 363.461 4.028 0 40 FIAB CC(=O)Nc1nc(C)c(-c2cc(C)c3c(c2)CN([C@@H](C)C2CC2)C3=O)s1 1857638641 CNCRCDLWUGCPSJ-LBPRGKRZSA-N 369.490 4.140 0 40 FIAB O=S(=O)(Cc1ccccc1)NCCc1ccc(-c2cccs2)s1 1889286972 PRHOFCANMUINQM-UHFFFAOYSA-N 363.529 4.139 0 40 FIAB Cc1ccnc(SCc2ccccc2CSc2nccc(C)n2)n1 721456 FDIZXPCNGGSYLU-UHFFFAOYSA-N 354.504 4.468 0 40 FIAB CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 929081 DSTVSUFKEDECHH-UHFFFAOYSA-N 368.458 4.251 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1COc2ccccc2O1 979214 MAEGVZVFZFILCZ-NRFANRHFSA-N 361.397 4.044 0 40 FIAB Cc1ccc2cccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)c2n1 1087523 SLBGQZPOHMWDBZ-UHFFFAOYSA-N 369.877 4.252 0 40 FIAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 1294947 QYWXDLARKLCPOO-UHFFFAOYSA-N 358.397 4.070 0 40 FIAB CC(C)Cc1nc2oc3c(N4CCCCC4)ncnc3c2c2c1CCC2 2216355 HZFZQADWQYKILZ-UHFFFAOYSA-N 350.466 4.449 0 40 FIAB O=C(Cc1ccc(Cl)cc1)c1cccc(I)c1 2393001 XIJHKSNJRIIOBD-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB Oc1ccc(-c2nn3c(-c4ccccc4O)nnc3c3ccccc23)cc1 2430043 ROTCNXGXYNGZKX-UHFFFAOYSA-N 354.369 4.023 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3219235 RDJXBJOEVVTKBQ-UHFFFAOYSA-N 359.853 4.362 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1nc2ccc(F)cc2s1 3386961 MTMRYMUASJDLQN-UHFFFAOYSA-N 370.327 4.472 0 40 FIAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N(C)c1ccccc1 3398019 IUOWOIUWCGGBFU-CYBMUJFWSA-N 370.503 4.425 0 40 FIAB O=C(COc1ccc(OCc2ccccc2)cc1)NCc1ccccc1F 3423178 RMGKKJABJGKICF-UHFFFAOYSA-N 365.404 4.100 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)c1 3446882 BGXRPWDRWNHKJB-UHFFFAOYSA-N 360.841 4.210 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)N3CCCCC3)s2)c1C 3525211 NDVFLHYNQKJVOX-UHFFFAOYSA-N 362.524 4.003 0 40 FIAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 3580109 WPLTWRAFNCSOIM-CYBMUJFWSA-N 372.519 4.003 0 40 FIAB O=c1c2c(-c3ccccc3)csc2nc(S)n1Cc1ccccc1 3887741 BRZSFCVWSKWHIE-UHFFFAOYSA-N 350.468 4.462 0 40 FIAB C[C@@H](NC(=S)NC(=O)/C=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 4017357 INJABUIHIDUKLJ-OHQHBMRBSA-N 368.546 4.295 0 40 FIAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 4794615 LFBKDMFUJAQUIY-HNNXBMFYSA-N 368.477 4.123 0 40 FIAB Cc1cccc(-c2c(NC(=O)c3ccco3)n(C)c3ccccc3c2=O)c1 5304592 XCEUQLWFHAGRSF-UHFFFAOYSA-N 358.397 4.359 0 40 FIAB Cc1ccc(OCC(=O)c2nc(-c3ccc(Br)cc3)no2)cc1 5746142 UROJCTCIUFTEDO-UHFFFAOYSA-N 373.206 4.069 0 40 FIAB CCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 6093625 SQPJQBXTBZLUDW-HNNXBMFYSA-N 366.486 4.397 0 40 FIAB O=C(c1ccc(F)cc1)n1nc(-c2ccco2)nc1NCc1cccs1 6528170 QEPBXBAWFQONDZ-UHFFFAOYSA-N 368.393 4.039 0 40 FIAB O=C(CCc1ccccc1O)N1CCC(c2nc3ccccc3s2)CC1 6590636 CXJWKFYSVNRWMP-UHFFFAOYSA-N 366.486 4.341 0 40 FIAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccs3)n2C)cc1 6963736 SSKIJIUAEVDALW-HNENSFHCSA-N 358.488 4.263 0 40 FIAB Cc1noc(C)c1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 7015811 FDOHITLPAQPHOA-UHFFFAOYSA-N 351.431 4.087 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7310810 XXMYYTUTFVZOCV-QGZVFWFLSA-N 374.440 4.230 0 40 FIAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCCc1ccc(Cl)cc1 7376046 FCGACGMZEXPLRY-ZRDIBKRKSA-N 356.274 4.126 0 40 FIAB O=C(COc1ccccc1F)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 7725336 RCFZJGODSSXASQ-UHFFFAOYSA-N 361.376 4.387 0 40 FIAB Clc1ccc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1 8187343 WBRQPVMIXHMVQV-UHFFFAOYSA-N 373.869 4.486 0 40 FIAB O=C(CN(C1=NCCCCC1)c1ccccc1)c1ccc2c(c1)OCCO2 8436123 PIQDMUVCVKHZOU-UHFFFAOYSA-N 364.445 4.120 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8495609 ABDNPLZLXIZFGW-KRWDZBQOSA-N 368.477 4.191 0 40 FIAB CC(C)[C@@H]1C[C@](CCNC2CCN(C)CC2)(Cc2ccccc2)CCO1 9047116 FVOUTONKTROUNU-GOTSBHOMSA-N 358.570 4.124 0 40 FIAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 9063183 NCCLKYCPUCVOJE-FQEVSTJZSA-N 364.533 4.345 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 9157018 XDIWMVGKCSZYSW-QFIPXVFZSA-N 355.441 4.022 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2NC1=O 9895801 HRROLOBTSCXHFC-CXAGYDPISA-N 352.459 4.097 0 40 FIAB O=C(NCCSCc1ccccc1F)c1ccc(CN2CCCC2)cc1 10282083 CEQDGCFYPHFWPE-UHFFFAOYSA-N 372.509 4.085 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)Nc1cccc2ccccc12 11006802 CCGURWWAVMSKJS-UHFFFAOYSA-N 356.429 4.406 0 40 FIAB COc1ccc(C[C@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@@H]23)cc1 11866654 PGNOGIIKLDFGGD-JTHBVZDNSA-N 370.452 4.111 0 40 FIAB CCOCCCNC(=O)c1cccnc1Sc1ccc(Cl)cc1 12742509 GYHSIOVOPYPGSA-UHFFFAOYSA-N 350.871 4.043 0 40 FIAB CCOc1cc(/C=C/C(=O)Nc2ccccc2OC)ccc1OC(F)F 12777577 KBXRPZPGCPBXRB-PKNBQFBNSA-N 363.360 4.347 0 40 FIAB NC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccc(-c2ccccc2)cc1 13896407 FQRDRENJOVGAIA-GYHWCHFESA-N 356.381 4.137 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)N[C@H]3CCc4ccccc43)c(=O)oc2c1 14111056 YQMPKNZUCPWATD-FQEVSTJZSA-N 361.441 4.146 0 40 FIAB CCOc1ccc(-c2nc(NC(=O)c3ccc(C)nc3)sc2C)cc1 14201841 VZRIDYQTUMSUJH-UHFFFAOYSA-N 353.447 4.473 0 40 FIAB CCOc1ccc(OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 15281120 LRJZVQMPQXGNRI-UHFFFAOYSA-N 353.390 4.418 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCSc2ccccc21 16556262 YEDJIEOAVMSYHZ-UHFFFAOYSA-N 362.882 4.208 0 40 FIAB Cc1cc(=O)n2c(n1)SC[C@@H](Sc1ccccc1)[C@H]2c1ccccc1 16779227 HGXZWQHZFSDANB-IEBWSBKVSA-N 366.511 4.408 0 40 FIAB Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CC(C)C)cc2)n1 17013011 NPUPEXCWJPVHMU-UHFFFAOYSA-N 353.470 4.113 0 40 FIAB COC(=O)N1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)N1C(=O)OC 17141106 NFBQADGBJPGOTN-HDICACEKSA-N 352.390 4.091 0 40 FIAB c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 17309833 QNRQTUMDMYQISP-UHFFFAOYSA-N 354.457 4.283 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(OC(C)C)cc1 20493475 ZAKFQBWSVLRRMD-SFHVURJKSA-N 355.478 4.299 0 40 FIAB CCC(CC)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20573360 XNWPPWVOFVNYSZ-UHFFFAOYSA-N 350.506 4.356 0 40 FIAB CC[C@@H](C)C(=O)O[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 23519921 UMJMHUJYYIQNAG-KUHUBIRLSA-N 353.418 4.158 0 40 FIAB C[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1Cl 24808529 HRWVRJRPXOSOQI-YVEFUNNKSA-N 351.277 4.474 0 40 FIAB O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN(C(=O)c2cccs2)C1 24833830 ZMHRPMVERJECRI-KRWDZBQOSA-N 364.470 4.392 0 40 FIAB COc1cc(F)ccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 25309164 MJJDNYSKXHXCPS-UHFFFAOYSA-N 369.392 4.477 0 40 FIAB Fc1cccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 27643213 LESDGGONYRZQPA-UHFFFAOYSA-N 350.401 4.098 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1ccc(Cn2cc(Cl)cn2)cc1 27969692 HKDUNWKXSWZXJJ-UHFFFAOYSA-N 368.849 4.447 0 40 FIAB O=C(CCc1ccc(Cl)cc1)Nc1ccn(Cc2ccc(F)cc2)n1 28242774 NIKWISFHMIRWQP-UHFFFAOYSA-N 357.816 4.295 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1 29046480 OBTCYHAFXLZPCW-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB COC(=O)C[C@@H](NC(=O)c1cc(C)n(C2CC2)c1C)c1ccccc1Cl 30374586 RPRQRNXAALRVBN-GOSISDBHSA-N 374.868 4.127 0 40 FIAB COc1cccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c1OC 33392654 DDOZKUOTVHYPGS-JLHYYAGUSA-N 355.415 4.329 0 40 FIAB COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 36408772 KJFQIAUVCHHYBP-YJYMSZOUSA-N 360.404 4.138 0 40 FIAB CCc1cc(C(=O)N2CCCC[C@@H]2C)c2c(C)nn(-c3ccccc3)c2n1 36621732 PHDDSUYCSOILFD-HNNXBMFYSA-N 362.477 4.306 0 40 FIAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 36635908 QABMAIUOMPITGC-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB Cc1ccsc1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 40157584 PXXJXZPTSXTYMD-UHFFFAOYSA-N 357.454 4.291 0 40 FIAB CCOc1c(Cl)cc(CNC(=O)Nc2ccccc2F)cc1OC 47326035 RQMVXJMFMLIISW-UHFFFAOYSA-N 352.793 4.208 0 40 FIAB CCOC(=O)c1c(NCc2cccs2)c2cccc(Cl)c2[nH]c1=O 49001503 PBUQBYRLIPRHKJ-UHFFFAOYSA-N 362.838 4.032 0 40 FIAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 49795419 NUESFRRYIPOUCW-AWEZNQCLSA-N 371.447 4.186 0 40 FIAB Cc1ccc([C@H](C)N(C)C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)s1 69119012 GVQDOKTXWDHJCW-JTQLQIEISA-N 359.476 4.201 0 40 FIAB COc1ccc(CNC(=O)c2sc(NC3CCCCC3)nc2C)cc1 71326685 MKANRSLIJFBWLU-UHFFFAOYSA-N 359.495 4.135 0 40 FIAB O=C(NCc1cccs1)N(CCc1cccs1)Cc1cccnc1 75154745 AJCTXKDDRHDHGM-UHFFFAOYSA-N 357.504 4.159 0 40 FIAB Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165832 BFXFDKMEMDEOQY-MSOLQXFVSA-N 352.434 4.285 0 40 FIAB O=C(CCc1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165862 SPKLWPJLZXQOQW-UXHICEINSA-N 366.461 4.295 0 40 FIAB CCOc1cc(CO)c(Br)cc1OCc1ccccc1C 95095070 NAOBRFHVXIRQEV-UHFFFAOYSA-N 351.240 4.228 0 40 FIAB COC(=O)N(C)CC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 95364928 TYGIOMWXCCTHOI-UHFFFAOYSA-N 366.339 4.009 0 40 FIAB O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1C[C@@H]2CC[C@@H]1C2 100549355 TXCYXHLIVICUCX-KKZNHRDASA-N 351.269 4.434 0 40 FIAB O=Cc1cn(C(=O)OCc2ccccc2)c2cccc(Br)c12 199813823 XBEFBFSSOPUOKE-UHFFFAOYSA-N 358.191 4.401 0 40 FIAB CCOc1ccccc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1C 222582757 WJFHUQNKMITSFU-UHFFFAOYSA-N 351.381 4.242 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620017 OAWRQRSZVQGPLD-LJQANCHMSA-N 351.402 4.234 0 40 FIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1C 222900696 VPZJUVQZHGKZQH-SFHVURJKSA-N 369.461 4.435 0 40 FIAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccc(C)cc2)c2ccccc2O1 222970794 KTVHCAPJRATJAD-LJQANCHMSA-N 373.518 4.497 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)[nH]1 223083569 PDQMJJOSFQYEJY-RTBURBONSA-N 354.523 4.332 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccccc2C)CC1 224847593 MLYUXCHXNHVIHG-GOSISDBHSA-N 366.505 4.093 0 40 FIAB COC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2Cl)c1 225373127 MZPZWZUVTCQCHA-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB COc1ccc(NC(=O)c2ccccc2C)cc1-c1ccc(C(=O)O)o1 226355967 OXRWBRCNPMZFTO-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 242955994 HHSKHKGALHGGPV-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](Cc3cccnc3)C2)o1 257283193 OXDSGPGVHCDXLL-KRWDZBQOSA-N 362.429 4.104 0 40 FIAB O=C(Nc1ccccc1-n1cc(Br)cn1)[C@@H]1C[C@H]2CC[C@H]1C2 642517807 CTZDSFVSVBFWAC-SGMGOOAPSA-N 360.255 4.010 0 40 FIAB O=C(c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)N1CCC[C@@H]1C1CC1 648767913 HRIQCJMUMKBFDM-MRXNPFEDSA-N 373.859 4.168 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(OC(F)F)cc3)s2)cc1 1775976393 QXXMKBFDPFHJJK-UHFFFAOYSA-N 361.373 4.367 0 40 FIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1F 710089 DPTUASXDDUBMLD-QGZVFWFLSA-N 361.214 4.286 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1C 806766 FCQMYHKZPAVLRV-QGZVFWFLSA-N 366.461 4.082 0 40 FIAB Cc1c(C=O)c2ccccc2n1CC(=O)N1c2ccc(F)cc2CC[C@@H]1C 1015541 UGTMUSFFYSIOBZ-AWEZNQCLSA-N 364.420 4.269 0 40 FIAB COc1ccc(-n2nc(CCC(=O)O)cc2-c2ccc(Cl)cc2)cc1 1482748 JWWITSKUTWOSQS-UHFFFAOYSA-N 356.809 4.219 0 40 FIAB CCCCCCC(=O)Oc1ccccc1N1C(=O)c2ccccc2C1=O 2068017 UKWUVGOGLKYMCZ-UHFFFAOYSA-N 351.402 4.363 0 40 FIAB O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccc1Br 2278832 FZONRAFSMALMCZ-UHFFFAOYSA-N 367.202 4.408 0 40 FIAB CC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2O)cc1 3115465 FFRZRGWQXLLTTP-UFWORHAWSA-N 361.785 4.280 0 40 FIAB FC(F)Sc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 3257449 KXFZZSUEEBEXSC-UHFFFAOYSA-N 368.430 4.217 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc2ccccc2n1 3262181 PPMXINHXEGRLEN-UHFFFAOYSA-N 362.429 4.462 0 40 FIAB CCOc1ccc(OCCOC(=O)c2c(-c3ccccc3)noc2C)cc1 3497254 LOXMXSFWTYFFQZ-UHFFFAOYSA-N 367.401 4.285 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)C(c2ccccc2)c2ccccc2)cc1 3555521 SBXCIUNMZXEKIX-UHFFFAOYSA-N 372.468 4.224 0 40 FIAB COc1cccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)c1 3582179 OSAAVUUMAHFBOB-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 4816541 UITMVRZZYUUNNV-MOPGFXCFSA-N 366.852 4.327 0 40 FIAB CCc1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1 4932801 ZBVAKXLOZJFWOB-UHFFFAOYSA-N 369.436 4.382 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc(C)c3C)c2=O)c1 5270052 ACTPPZIIXFOFRU-UHFFFAOYSA-N 360.457 4.383 0 40 FIAB Cc1cccc(Cn2nc(-c3ccc(Br)cc3)ccc2=O)c1 5397926 AGKRLJPEETXZNF-UHFFFAOYSA-N 355.235 4.030 0 40 FIAB CCOc1cc(C(=O)N[C@H](C)c2cccs2)cc(OCC)c1OCC 6220439 VBNASWZRECJBGN-CYBMUJFWSA-N 363.479 4.435 0 40 FIAB Cc1ccc(N2CCN(C(=S)NCc3ccc(Cl)cc3)C[C@@H]2C)cc1 6573459 YVUQSZLRNJKYEB-INIZCTEOSA-N 373.953 4.234 0 40 FIAB Fc1ccc(-c2ccc(CNn3c(-c4ccncc4)n[nH]c3=S)o2)cc1 7602159 FLEXUHBMKSAYOG-UHFFFAOYSA-N 367.409 4.145 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)c1nn(C)c(=O)c2ccccc12 7668882 SYVUWFORWAKOEO-UHFFFAOYSA-N 363.461 4.433 0 40 FIAB Cc1ccc(OCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 7723876 AMGXVIVRLPLCAX-UHFFFAOYSA-N 360.385 4.414 0 40 FIAB COCCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2ccccc21 8128853 JQQMOMIXAOXARJ-CQSZACIVSA-N 370.474 4.055 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCCO3)N1c1ccccc1 8129900 QLCPMGRMWGTBLY-NRFANRHFSA-N 358.397 4.229 0 40 FIAB O=C(NCc1ccccc1Cl)c1cc(C2CC2)nn1-c1ccccc1 8273050 JHBRTKNRBUVPJF-UHFFFAOYSA-N 351.837 4.333 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)cc1 8367260 PWVWEOZWXKAECO-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB Cc1noc(C)c1C(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 9537372 CUUIDWFOLLIWHS-UHFFFAOYSA-N 367.474 4.474 0 40 FIAB C[C@H]1Oc2c(C(=O)N(C)Cc3nc4ccccc4s3)cccc2[C@H]1C 9762566 BODGSPRQWHKXBD-QWHCGFSZSA-N 352.459 4.453 0 40 FIAB CCOc1ccc(-c2cc(-c3nc(-c4ccc(OC)cc4)no3)[nH]n2)cc1 10272983 YWZITAGOSUXTTF-UHFFFAOYSA-N 362.389 4.201 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@@H]1c1ccccc1 10310965 FRFMQVKFQXYFMI-GOSISDBHSA-N 358.869 4.433 0 40 FIAB Cc1cc(N[C@H](C)C(=O)Nc2c(C)cccc2C)ccc1N1CCCC1=O 10750768 LRCYHUBZLYGKNL-QGZVFWFLSA-N 365.477 4.178 0 40 FIAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c2cnn(C(C)C)c2n1 10808760 NTQGYYQWKDSMIU-UHFFFAOYSA-N 373.254 4.335 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)CCc1nc(-c2ccncc2)no1 11429204 XJMUXEDGMALSPH-UHFFFAOYSA-N 350.422 4.135 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12144813 PAFTXUJLVTVPQX-INIZCTEOSA-N 362.389 4.178 0 40 FIAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCCC[C@@H]1C 12222792 UKEGAPQIEZMCKZ-INIZCTEOSA-N 362.477 4.198 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2cccnc2)nc2ccccc12 12650885 UMYBPXDNRUENSW-UHFFFAOYSA-N 373.441 4.278 0 40 FIAB C[C@H]1CN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C[C@@H](C)O1 12809259 IEQDOTSSUWILRT-OKILXGFUSA-N 352.459 4.213 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@@H]1CCOc2ccccc21 12926773 CBABLLLAYYLRSB-QGZVFWFLSA-N 366.392 4.053 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 12932997 VMONOEMXMDDYAH-GOSISDBHSA-N 350.462 4.418 0 40 FIAB COc1ccc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)cc1 13144124 AJLZSYJLIJMGPT-UHFFFAOYSA-N 357.454 4.200 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 13685698 LPRFTSLASSYQSO-QGZVFWFLSA-N 368.477 4.095 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 14906199 DFMCXBPFRSJBML-UHFFFAOYSA-N 355.312 4.245 0 40 FIAB Cc1ccc2c(CN(C)CCOc3cccc(Cl)c3)cc(=O)oc2c1 15049318 XAQVAUROLMAMOA-UHFFFAOYSA-N 357.837 4.266 0 40 FIAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC2CC2)ccc1C(C)C 16015172 HPCXEFQSYAEVON-UHFFFAOYSA-N 366.461 4.028 0 40 FIAB Fc1ccc(-n2ncc3c(NCc4ccc(Cl)cc4)ncnc32)cc1 17155924 DPWVYLSNFDBCSE-UHFFFAOYSA-N 353.788 4.220 0 40 FIAB CC(C)(C)OC(=O)Nc1cc2ccccc2n1S(=O)(=O)c1ccccc1 19735934 RHDRYBOXMHGNAR-UHFFFAOYSA-N 372.446 4.225 0 40 FIAB in-vitro Cc1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 20460196 HGNDWWUBXOLDIW-GFCCVEGCSA-N 358.290 4.482 0 40 FIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCCc1ccccc1 21168809 NVDLHXKVNCWCFY-UHFFFAOYSA-N 369.852 4.072 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 21596368 VBQFVCAYLJSRFJ-UHFFFAOYSA-N 353.447 4.354 0 40 FIAB O=C(Cc1ccc(F)cc1)NCc1cc(-c2cc3ccccc3o2)on1 22768784 AYXQKZXXBHKALM-UHFFFAOYSA-N 350.349 4.086 0 40 FIAB Cc1cc(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c(C)o1 27920997 QYNXVZACBLENIZ-UHFFFAOYSA-N 374.238 4.156 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(C(F)(F)F)cc1 28228996 WPWZPQCCAYHMGT-UHFFFAOYSA-N 363.314 4.342 0 40 FIAB Cc1cc(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)nn1C 28579031 RLPBOEUMXFDABT-UHFFFAOYSA-N 355.250 4.378 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)CCSc2ccc3ccccc3n2)c1 29867319 NNEGUIPQRZGMCQ-UHFFFAOYSA-N 357.500 4.418 0 40 FIAB Cn1ncc2c1CCC[C@@H]2NCc1ccc(-c2nc3ccccc3s2)o1 30908824 KKPUATBAZZVIOC-HNNXBMFYSA-N 364.474 4.457 0 40 FIAB CCOc1cccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)c1 32609725 QEFKIZPPASSVFC-UHFFFAOYSA-N 367.424 4.338 0 40 FIAB Cc1cccc([C@@H]2C(=O)[C@@H](Oc3ccc(Cl)cc3Cl)[C@@H]2CO)c1C 34936015 ZYWHAHLJZWOSNE-LJHODMEESA-N 365.256 4.333 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1OC(F)F 36696943 LZWLNHJJYCYJLW-DLDHWWSZSA-N 353.409 4.251 0 40 FIAB COc1ccc(Br)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c1 38567275 OCPJBYILSKQCLL-CQSZACIVSA-N 360.251 4.087 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCCCOc1cccc2cccnc12 38680892 KNARJMHGZLOXEZ-UHFFFAOYSA-N 370.836 4.096 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 38834028 MMXFDUSVFMXWKM-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB C[C@H]1Cc2ccccc2N1C1CCN(c2ncnc3ccsc23)CC1 40135252 BDVITLDJMWETNA-AWEZNQCLSA-N 350.491 4.111 0 40 FIAB CNC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc(OC)c1OC)CC2 44007842 MSIMDSNTBPRVKR-BUHFOSPRSA-N 374.440 4.098 0 40 FIAB COc1cccc(Cn2cnc3c(-c4ccccc4C)csc3c2=O)c1 44166970 ICOZQQOAOJARQK-UHFFFAOYSA-N 362.454 4.490 0 40 FIAB Cc1ccc(CC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1C 44874918 VWTPEVIWYXOUOW-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB Cc1cccc(CN2CCC(NC(=O)Nc3ccccc3Cl)CC2)c1 45743973 NJWDPAFVJQTBSX-UHFFFAOYSA-N 357.885 4.435 0 40 FIAB C[C@@H]1CCN(C(=O)CSc2ccc(Cl)nn2)c2ccccc2S1 54514156 GWCQKMGILFUFFA-LLVKDONJSA-N 365.911 4.140 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1=COCCO1 55817211 WBWGTWDNSUZTKM-KRWDZBQOSA-N 364.228 4.087 0 40 FIAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCc2sccc2C1 56784692 PTYBRQGTSVETFN-INIZCTEOSA-N 372.490 4.286 0 40 FIAB CCN(CC)c1nc2sc(C(=O)Oc3cccc4[nH]ncc34)cc2s1 58027965 JOCOSBLUXHEALK-UHFFFAOYSA-N 372.475 4.300 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1 59383465 WFZXYHXIYGFGOK-UHFFFAOYSA-N 374.868 4.164 0 40 FIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2F)cc1 71115843 ILKNBJILKABGRR-UHFFFAOYSA-N 367.424 4.325 0 40 FIAB CC(=O)c1ccc(OCc2ccccc2)c(I)c1 72220763 FEFFWFVJWPIJAZ-UHFFFAOYSA-N 352.171 4.073 0 40 FIAB CCSC[C@H](C)N(C)Cc1ccc(OC)c(OC)c1Br 72305346 GGMRMVREFXBFES-NSHDSACASA-N 362.333 4.040 0 40 FIAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 72349458 NJDYILFDHFATPU-HXUWFJFHSA-N 371.484 4.401 0 40 FIAB CCn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72350277 DYKMXGWQVCSVKC-SFHVURJKSA-N 364.468 4.484 0 40 FIAB Cc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)CC1(CCN(C)CC1)O2 72394186 GIEBTAVZHPYROS-UHFFFAOYSA-N 372.459 4.132 0 40 FIAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165859 CVVRMQVWKIVOQJ-MOPGFXCFSA-N 370.424 4.044 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 79071243 YWIHBPPWWDJPBA-GFCCVEGCSA-N 367.380 4.159 0 40 FIAB Cc1n[nH]c2c1[C@H](c1cccc(OCc3cccnc3)c1)SCC(O)=N2 79493344 PZHXBFIPIWYLSB-SFHVURJKSA-N 366.446 4.116 0 40 FIAB COc1ncccc1C(=O)NCc1sc(-c2ccccc2Cl)nc1C 90593199 SSZHRSNDDJFNSD-UHFFFAOYSA-N 373.865 4.106 0 40 FIAB COc1ccc(-c2c[nH]c(CNC(=O)c3cccc4ccccc34)n2)cc1 90608653 OVYIEWYDSKXDQO-UHFFFAOYSA-N 357.413 4.169 0 40 FIAB O=C(NC1(c2ccc(Br)cc2)CC1)[C@@H]1C[C@@H]1c1ccccc1F 95385712 QISMVLZLSDWPSV-HZPDHXFCSA-N 374.253 4.497 0 40 FIAB COCCN(C)Cc1ccnc(NCc2ccc(-c3ccccc3F)o2)c1 95450111 CHNZJBVXDANGPO-UHFFFAOYSA-N 369.440 4.171 0 40 FIAB COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1 95458897 HAKHHJAXWAVHGW-LRDDRELGSA-N 362.495 4.090 0 40 FIAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96116752 AUHTWSGFEQKHCO-QGZVFWFLSA-N 370.884 4.288 0 40 FIAB CO[C@H]1CCN(c2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2)C1 96122226 JGSOLVZYEUKQHZ-SFHVURJKSA-N 370.518 4.424 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219296003 ZFPANUHVBLVUSW-QAPCUYQASA-N 371.477 4.301 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCc1nc(-c2cccc(C)c2)no1 219395225 LOWZUFBFACIDRZ-UHFFFAOYSA-N 373.412 4.137 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1Cl 222864655 ASROEIHDCDSCDF-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2cccs2)cc1C(C)C 223373412 KCNQOVOZXVHACO-ZDUSSCGKSA-N 353.509 4.228 0 40 FIAB CCC(CC)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 224339369 JQBFEGMEQYAGII-AQTBWJFISA-N 356.491 4.132 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225153001 CNHULGAACNZEPC-CQSZACIVSA-N 370.474 4.358 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225620891 ZXQWGFVPBQUJAQ-YJBOKZPZSA-N 357.450 4.047 0 40 FIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225698863 CKUAEIIIYKORFN-NRFANRHFSA-N 362.514 4.085 0 40 FIAB CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225722578 FCQMUPGWRKEXEP-UHFFFAOYSA-N 354.837 4.164 0 40 FIAB CCc1ccc([C@@H]2COCCN2C(=O)c2cc3cc(Cl)ccc3[nH]2)o1 605566689 RFMZDGOCPIOXQW-KRWDZBQOSA-N 358.825 4.190 0 40 FIAB O=C(Nc1nc([C@H]2CCCN2Cc2cncs2)cs1)c1ccccc1 1615189401 MBZVOFXYFLIAKI-MRXNPFEDSA-N 370.503 4.189 0 40 FIAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(C3CCCCC3)cc1)C(=O)N2 1076391 FWISBHQCIPNREE-QHCPKHFHSA-N 363.457 4.455 0 40 FIAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)N(C)C1CCCCC1 2345419 YXFNMVZCFZPGPB-UHFFFAOYSA-N 361.417 4.280 0 40 FIAB O=C(COc1ccccc1/C=C1\C(=O)Nc2ccccc21)Nc1ccccc1 2753913 AHVWCAPSEQJUGU-RGEXLXHISA-N 370.408 4.197 0 40 FIAB CCOC(=O)Nc1ccc2c(CN(C)C3CCCCC3)cc(=O)oc2c1 3344748 CCSPHTRJHKNLNQ-UHFFFAOYSA-N 358.438 4.126 0 40 FIAB O=C(/C=C/c1ccco1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 3486861 YVEHQVNGHMOPBZ-BOLDSZDNSA-N 354.431 4.115 0 40 FIAB CCc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1 4315643 FPGYDMQIVXEHBZ-UHFFFAOYSA-N 354.841 4.352 0 40 FIAB COc1cccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)c1 4433484 BINKHXNEEONAOW-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB CC(=O)c1cccc(NCC(=O)NC(c2ccccc2)c2ccccc2)c1 4904012 YOCSWSHOCDIQEV-UHFFFAOYSA-N 358.441 4.207 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2F)o1 4987076 BLJZWOKPVHNCCS-UHFFFAOYSA-N 358.394 4.379 0 40 FIAB COc1ccc(-c2nc(Nc3ccccc3OC)sc2CC(=O)O)cc1 5023182 FSROVQLWJAHZBI-UHFFFAOYSA-N 370.430 4.198 0 40 FIAB CCCCCn1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21 5030356 GEUNRQYIQZNTFD-UHFFFAOYSA-N 354.454 4.312 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(O)cc2)c2oc3ccccc3c2n1 5252984 LEVRZQWEZDHLBT-UHFFFAOYSA-N 365.414 4.121 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)OCCO2 6309701 ZKYWVIYAKOMXSE-UHFFFAOYSA-N 371.396 4.253 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)cc1F 6330204 QZXFNFMMZHMIFH-UHFFFAOYSA-N 368.387 4.202 0 40 FIAB COc1cccc(C(=O)OCc2csc(-c3cccc(OC)c3)n2)c1 6604552 LGZAQPWZOLXKTM-UHFFFAOYSA-N 355.415 4.184 0 40 FIAB CCCOc1c(Br)cc(C(=O)N2CCCCC2)cc1OCC 6779018 QCAMPYSNDLEJCR-UHFFFAOYSA-N 370.287 4.263 0 40 FIAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3nccs3)sc2n1 6831072 ZGYMZPMFHPABKU-UHFFFAOYSA-N 354.460 4.413 0 40 FIAB C[C@H](OC(=O)c1ccc2ccccc2n1)c1nnc(-c2cccs2)o1 6840685 FIAHYBVYOCBHNX-NSHDSACASA-N 351.387 4.264 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7007507 LNURNOCENYHJKB-UHFFFAOYSA-N 360.461 4.243 0 40 FIAB O=C(CSCCOc1ccccc1)Nc1ccccc1OC(F)F 7015240 JVDCUEIUMCIAHJ-UHFFFAOYSA-N 353.390 4.039 0 40 FIAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 8304136 PZNZVFAGTPTCQZ-UHFFFAOYSA-N 372.484 4.185 0 40 FIAB CCc1ccc(-c2nc(COC(=O)c3cc(C(C)=O)cn3C)cs2)cc1 8416575 XWEPXCMHHWWNKG-UHFFFAOYSA-N 368.458 4.271 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Nc3ccccc3Cl)c(=O)oc2c1 8724694 JVBMHYOYCAETEX-UHFFFAOYSA-N 371.820 4.335 0 40 FIAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 9062526 UJQDTAQPWMIUOF-UHFFFAOYSA-N 370.924 4.301 0 40 FIAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)CCC4)cc1OC 9290227 MEXRJVUOQWEBSY-UHFFFAOYSA-N 365.433 4.056 0 40 FIAB Cc1cc2ncn(CC(=O)N3CCC(Cc4ccccc4)CC3)c2cc1C 9314657 MOTIHLLTJFGYLP-UHFFFAOYSA-N 361.489 4.134 0 40 FIAB C[C@@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cccs1 9471072 LODLPABVAUAFDC-MRXNPFEDSA-N 357.523 4.418 0 40 FIAB O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)NC1CCCCCC1 9784605 SMNIMYKKESZAOO-UHFFFAOYSA-N 372.494 4.169 0 40 FIAB Cn1c(-c2cccc(Br)c2)cnc1NCc1cccc(O)c1 9805791 UOJKENRZVOBTQY-UHFFFAOYSA-N 358.239 4.167 0 40 FIAB C[C@@H](Sc1nnc2n1CCCCC2)c1nnc(-c2ccc(F)cc2)o1 9992988 CDOWBRMYOWGVIW-LLVKDONJSA-N 359.430 4.047 0 40 FIAB COc1ccccc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 10810890 TXSNDHTVXLVOQV-UHFFFAOYSA-N 371.820 4.304 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)N2CCCCCC2)cc1 11916633 WXHKBEGVIOSASJ-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB biogenic CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1cccc(C)c1C 12462918 NQKIYCZKSMLPKQ-UHFFFAOYSA-N 365.477 4.101 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)O[C@H](C)C2 12523462 GDBQHDLLNHIUOP-KGLIPLIRSA-N 372.440 4.295 0 40 FIAB O=C(CCc1cccnc1)NCc1ccc(-c2nc3ccccc3s2)o1 12542816 VOLVIQICNCPRLE-UHFFFAOYSA-N 363.442 4.200 0 40 FIAB Cc1ccc(CN(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 12823832 WQZXEEOOFWUVCN-UHFFFAOYSA-N 374.488 4.129 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1C 13684542 FFQGPOVCXGECDH-MRXNPFEDSA-N 368.477 4.158 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 13710787 GCEWZBZSSKTXDX-KRWDZBQOSA-N 368.477 4.191 0 40 FIAB Cc1ccccc1NC(=O)c1c(C)nc(Nc2nc(C)c(C)s2)nc1C 14607521 LHZFRTUIWMDWPY-UHFFFAOYSA-N 367.478 4.471 0 40 FIAB CC(C)C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 18131087 ZMMYJTGDEVOGQF-FQEVSTJZSA-N 350.462 4.331 0 40 FIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2ccccc2C)n1 18195126 VWVQPOBULVHRBB-UHFFFAOYSA-N 355.825 4.160 0 40 FIAB COc1ccc(C[C@H](NC(=O)[C@H]2CC=CCC2)c2ccc(OC)cc2)cc1 18705157 CZZKFOVJCLXFNT-UGKGYDQZSA-N 365.473 4.460 0 40 FIAB CN(C)C(=O)[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1 19298320 ABISLBQSLWXFLW-KRWDZBQOSA-N 355.438 4.137 0 40 FIAB COc1ccc2c(c1)C[C@@H](c1cccnc1)N[C@H]2c1ccc(F)c(F)c1 19562589 YGWITYBHUNQKIA-SFTDATJTSA-N 352.384 4.345 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1OC 20485906 AOGJNJTYBOSMKM-QGZVFWFLSA-N 361.869 4.255 0 40 FIAB Cc1noc(C)c1CN(C(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1 22192149 MGENZLVULKXJCL-MRXNPFEDSA-N 353.249 4.409 0 40 FIAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1c(F)cccc1Cl 22931753 MNPWXGVEGNCOQS-QGZVFWFLSA-N 361.892 4.361 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCC(=O)c2cc(C)sc2C)cc1F 24079474 GPLKDOSCUTVLIT-LBPRGKRZSA-N 363.454 4.353 0 40 FIAB Cc1ccc([C@H](O)CSc2nnc(NCc3ccco3)s2)c(C)c1 24768290 QOPNGRQYQDUMCK-OAHLLOKOSA-N 361.492 4.186 0 40 FIAB F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(-c2cn3c(n2)CCC3)cc1 26506862 GJXWGLQJMVDGQL-ZDUSSCGKSA-N 350.262 4.368 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(-n3cccn3)cc2)N1CC(F)(F)F 28511786 WRAFXYOPDXPKDK-KRWDZBQOSA-N 372.350 4.001 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 30947004 NXBBXLURCUVDAP-UHFFFAOYSA-N 374.440 4.143 0 40 FIAB CCc1cccc(CC)c1NC(=O)COc1cccc2c1CCC[C@H]2O 32691481 NYPITNQEJGWJPP-LJQANCHMSA-N 353.462 4.199 0 40 FIAB COc1cc(NC(=O)N2CCC[C@H]2c2ccccc2C)cc(OC)c1OC 36621156 NDPQZQMZYCIZKO-KRWDZBQOSA-N 370.449 4.390 0 40 FIAB CCSc1ccccc1C(=O)NCC1(c2ccccc2)CCOCC1 38940019 BZJQJSWDKNDOBJ-UHFFFAOYSA-N 355.503 4.277 0 40 FIAB O=C(NCCc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 43480454 BWKRGBZFZHQKDI-MRXNPFEDSA-N 367.424 4.099 0 40 FIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(Cn2ccnc2)cc1 44854397 LGDYUSRHTMYHRU-SFHVURJKSA-N 361.489 4.418 0 40 FIAB COc1cc(/C=C\C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 45021778 FSTGDSZQYRGIFK-CLTKARDFSA-N 352.217 4.080 0 40 FIAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(F)cc1Br 48205226 BJHXKLFIGKCCKV-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB Cc1nn(C)c(Cl)c1CNCc1ccc(-c2ccc3c(c2)CCO3)cc1 57979128 RBLWPRUMMFDEGV-UHFFFAOYSA-N 367.880 4.274 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1ccccc1Cl)c1nc(-c2cccnc2)no1 58244954 VTTURXFPOOQIQY-OAHLLOKOSA-N 371.828 4.304 0 40 FIAB CCOc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58434037 HDWWRHVEYXNKCU-NSHDSACASA-N 374.491 4.268 0 40 FIAB COc1ccccc1-c1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)[nH]n1 60209037 OYNQNLKFIODYQX-GFCCVEGCSA-N 371.824 4.145 0 40 FIAB O=C(NC[C@H](O)c1ccccc1)c1ccc(-c2nc3ccccc3s2)o1 65517913 UFSJTKRIFYPVEI-HNNXBMFYSA-N 364.426 4.020 0 40 FIAB Cc1cc(SCC(=O)NC2CCCCC2)nc(-c2ccc(F)cc2)n1 67257073 MSCCHVDPHYFRBT-UHFFFAOYSA-N 359.470 4.132 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2cn(C)nc2C)S1 71287139 CFSRXABFQNVATE-INIZCTEOSA-N 359.499 4.412 0 40 FIAB CCOc1cc(S(=O)(=O)N(CC)c2cccc(C)c2)ccc1Cl 72414371 OPQFCXIFPBBDBO-UHFFFAOYSA-N 353.871 4.262 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC(CSC2=NCCS2)CC1 75172374 DPVDBQJRTOHJSJ-UHFFFAOYSA-N 354.928 4.028 0 40 FIAB COC(=O)c1ccc(C(=O)N(CCc2cccs2)Cc2ccoc2)cc1 90612345 PFLUAMSNLLHIGA-UHFFFAOYSA-N 369.442 4.013 0 40 FIAB O=S(=O)(Nc1cccc(O)c1F)c1cc(C(F)(F)F)ccc1Cl 95445380 YRBFSWCESILWBI-UHFFFAOYSA-N 369.723 4.004 0 40 FIAB Cc1cn(-c2ccccc2Cl)nc1NS(=O)(=O)/C=C/c1ccccc1 95982522 LIRXBDDFJWPTDS-VAWYXSNFSA-N 373.865 4.247 0 40 FIAB CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)c2ccccc21 96052576 BOVZGORVCYSDEQ-QGZVFWFLSA-N 368.546 4.214 0 40 FIAB COc1ccc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)cc1Cl 96122574 HGLGLWLPOCXVFU-OAHLLOKOSA-N 371.824 4.097 0 40 FIAB COCc1cc(C)nc2sc(C(=O)c3ccc4c(c3)CCCC4)c(N)c12 98063810 CXOLFJKXCDBSJM-UHFFFAOYSA-N 366.486 4.443 0 40 FIAB Fc1ccc(-c2noc(-c3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1F 109538989 TZPVLYGUDQDNSZ-UHFFFAOYSA-N 365.343 4.140 0 40 FIAB Cc1ccccc1[C@H]1CCN(C(=O)Cn2cnc3ccccc32)CCS1 219266571 BJQFEQREJAERQW-HXUWFJFHSA-N 365.502 4.052 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223199861 QFPONFTZTICEQN-QVKFZJNVSA-N 353.462 4.219 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H](C)CCc1ccccc1 225167622 SOZXLIRTUYLVML-MSOLQXFVSA-N 351.490 4.470 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1Cl 225638881 YPIWGANFFSXICF-BIENJYKASA-N 369.889 4.288 0 40 FIAB Cc1ccc(C)c(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225738643 FVRJSUGVOAADNZ-KRWDZBQOSA-N 353.535 4.431 0 40 FIAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)cc1 257319665 VTNJFKNGOVXIIQ-XDACAXMVSA-N 371.521 4.350 0 40 FIAB COCCN1C(=O)N(c2ccccc2F)[C@@H]2[C@H](c3cccc(F)c3)CC[C@@H]21 257326789 WYORGEIRVTUQHV-FFZOFVMBSA-N 372.415 4.168 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)c(O)c(C)c3)N21 260753140 BMPKATLNICCAHK-NJAFHUGGSA-N 353.491 4.383 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 408626429 HHXYEXWAZVFPMD-UHFFFAOYSA-N 367.518 4.366 0 40 FIAB O=C(N[C@@H]1CCc2sc(Cl)cc21)c1c[nH]nc1-c1ccccc1F 555110987 BQKXPTREJSRERQ-CYBMUJFWSA-N 361.829 4.348 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C[C@@H](C)c2c(C)noc2C)cc1 677148825 CUWZHRWLCKWZHK-IQVOZAENSA-N 356.466 4.130 0 40 FIAB O=C(c1cnc2c(F)cccc2c1)N1CCC[C@@](F)(c2ccccc2)C1 1132703975 YXHFXVYAGSOUJI-NRFANRHFSA-N 352.384 4.475 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 1098234 QVHUVADYRLRYPL-UHFFFAOYSA-N 367.873 4.123 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4F)sc3nc2c1 1223619 CGCZQDUTJQGBTQ-UHFFFAOYSA-N 367.405 4.432 0 40 FIAB CC(=O)Oc1cc(-c2cccc(C(F)(F)F)c2)c2oc(=O)sc2c1 1303950 FCQRKYVLFMLBDQ-UHFFFAOYSA-N 354.305 4.466 0 40 FIAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 2206859 UHPFMGZMAVKYRF-NZXJAIKPSA-N 363.457 4.267 0 40 FIAB Cc1cccc(-c2nnc3c4cnn(-c5ccc(C)c(C)c5)c4ncn23)c1 2419931 TWLBOHZDSHFRIC-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB CCc1cc2c(SCC(=O)Nc3cccnc3Cl)ncnc2s1 2629539 LNNAJHVPMRWXHD-UHFFFAOYSA-N 364.883 4.033 0 40 FIAB COc1ccc(CCN(C)c2ncnc3sc(C)c(C)c23)cc1OC 2629678 ODXNKSZLPQVFGC-UHFFFAOYSA-N 357.479 4.004 0 40 FIAB CCc1ccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)cc1 2723144 CSABNOBENKYGDI-UHFFFAOYSA-N 367.474 4.174 0 40 FIAB COc1ccc(NC(=O)C(F)(F)Oc2cccc(C(F)(F)F)c2)cc1 3117001 BQQGDGQWFQYBBM-UHFFFAOYSA-N 361.266 4.324 0 40 FIAB CC(C)Oc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)NC2=O 3180029 IUOZNMJFWOGBEM-QGZVFWFLSA-N 351.324 4.011 0 40 FIAB Cc1ccccc1NC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 3666784 NVBUZIQELULFQG-UHFFFAOYSA-N 372.468 4.272 0 40 FIAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 4675638 NNHKHODLBMTXHK-KRWDZBQOSA-N 366.461 4.084 0 40 FIAB Cc1cccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)c1 5100633 YKTPXWMTIKBRQC-UHFFFAOYSA-N 364.396 4.278 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4cccc(Cl)c4)nnc32)cc1C 5151239 BIKFLRMXGVUICY-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB COc1ccc(OC)c(CC(=O)NC(c2ccccc2)c2ccccc2)c1 6540079 KPUKDRVIDINVPM-UHFFFAOYSA-N 361.441 4.152 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1OC 7748410 CQLQOWYKBKTFAF-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 7854179 UOTCWHQVFQPZHD-JOCHJYFZSA-N 359.473 4.468 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8041309 YOZZLOAGWPBXJL-DLBZAZTESA-N 368.477 4.238 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c2ccccc12 8076459 SXJPEXNFEMZRKB-IBGZPJMESA-N 364.445 4.008 0 40 FIAB Cc1ccc2c(c1)nc1s/c(=C\c3ccc(-c4ccccc4)cc3)c(=O)n12 9187956 QKWJPDOAQZIANO-STZFKDTASA-N 368.461 4.432 0 40 FIAB CCCn1c(S[C@H](C)C(=O)NCC)nc2ccc(C(F)(F)F)cc21 11021837 KMNAYIWTYCERIA-SNVBAGLBSA-N 359.417 4.082 0 40 FIAB CCN1CCC[C@H]1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 12275076 IFQPSCHGVVMSGT-ZDUSSCGKSA-N 371.535 4.225 0 40 FIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 12523126 KDRJXRYUOUSMCD-QGZVFWFLSA-N 368.477 4.054 0 40 FIAB COc1cccc(-c2nc(C(=O)NC3CCCCCC3)cs2)c1OC 13012605 CUEAVHDKVBAZSO-UHFFFAOYSA-N 360.479 4.280 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3nc(C)sc3c2)c1 14108562 GDXJOFIIBUDELM-RUDMXATFSA-N 354.431 4.274 0 40 FIAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc2c(c1)OCO2 14155629 XGVPKPWVCLCSHF-UHFFFAOYSA-N 353.802 4.080 0 40 FIAB CCOC(=O)CCn1nc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1 17073567 AFWGWGCHRAMVFF-UHFFFAOYSA-N 356.372 4.449 0 40 FIAB O=C(COc1cccc(F)c1)Nc1c(-c2ccccc2)nc2ccccn12 17367013 OGZJYXLZUGLZMK-UHFFFAOYSA-N 361.376 4.158 0 40 FIAB CC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(OC)cc1 18132095 AQDLILYUCZDYCU-INIZCTEOSA-N 367.474 4.403 0 40 FIAB C[C@@H](CN(C)Cc1c(C2CCNCC2)[nH]c2ncccc12)c1ccccc1 19455965 PHSLQTAGDDKCRO-KRWDZBQOSA-N 362.521 4.265 0 40 FIAB COc1cccc(-c2ccc([C@H]3CN(CCc4ccccc4)CCO3)nc2)c1 19692567 WIQIXRVRNJIEEO-XMMPIXPASA-N 374.484 4.373 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1OC 20108925 XAORZXYIKGLBRJ-GJZGRUSLSA-N 359.491 4.370 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20143769 FSPODIGCSPGHBQ-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCC2)cc1 20381443 LEZDIIRNHMTKGG-UHFFFAOYSA-N 366.486 4.230 0 40 FIAB C[C@@H]1Oc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2NC1=O 21601236 JXPLSNPTPAGAIG-ZETCQYMHSA-N 369.179 4.104 0 40 FIAB Cc1ccc(NCC(=O)Nc2cccc(Cl)c2)c(Br)c1 21819663 JJSAQHYGCANNJK-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3c(C)noc3n2)s1 21891756 OXDHASGZQNNVMF-UHFFFAOYSA-N 353.403 4.091 0 40 FIAB COc1ccc(-c2noc(CSCc3cccc(C)c3)n2)cc1OC 24760999 MPZCZWVDPQSOSX-UHFFFAOYSA-N 356.447 4.496 0 40 FIAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2c(F)cccc2Cl)n1 25015053 COFLOKLXDKUMBL-UHFFFAOYSA-N 357.816 4.463 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2c(-n3cccc3)sc(C)c2C)cc1 25153002 ZJFIXZNSCBAANK-UHFFFAOYSA-N 353.447 4.366 0 40 FIAB CC(=O)c1ccccc1OCCOC(=O)c1cc2ccc(F)cc2s1 26222324 MHEPUFDIWYLGSR-UHFFFAOYSA-N 358.390 4.479 0 40 FIAB O=C(O)c1ccc(CSc2nc(-c3ccc4c(c3)OCO4)cs2)o1 26421257 KHTJKBYMTRWMCX-UHFFFAOYSA-N 361.400 4.122 0 40 FIAB CNC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 29155816 NDJJDCSYCQBSKX-UHFFFAOYSA-N 362.433 4.050 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(=O)OC)cc1 30871374 KWAOKALEKVIYSB-IBGZPJMESA-N 363.413 4.423 0 40 FIAB Nc1c(C(=O)N2CCCC2)oc2nc(-c3ccccc3)c3c(c12)CCCC3 31818662 ZFTNIYBGDDPYQK-UHFFFAOYSA-N 361.445 4.192 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)NC2CCCCCC2)cc1Cl 31903897 OOFAJVCIWZNUJM-UHFFFAOYSA-N 366.310 4.393 0 40 FIAB O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccncc1 31966387 AWRIDIDPEZSXLZ-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)s1 32796161 XRZVQIPNIHOSQN-VIFPVBQESA-N 352.253 4.204 0 40 FIAB Cc1ccsc1CN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 32862967 XXZFVXHUVQBHRE-HNNXBMFYSA-N 354.479 4.145 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(F)c2)cc1 35289362 WAFLMDWHCZLVGM-SFHVURJKSA-N 355.413 4.078 0 40 FIAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 35396231 CVLQERGHEUVADM-MQIPJXDCSA-N 374.485 4.011 0 40 FIAB CCOP(=O)(OCC)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 35654120 MDIMWBGOUZAXEP-UHFFFAOYSA-N 369.361 4.097 0 40 FIAB in-vitro CC(=O)NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 40108440 YWQJGVOABRPPRR-INIZCTEOSA-N 369.317 4.290 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 40119458 QVDLEKWLYDDOLN-GOSISDBHSA-N 352.478 4.387 0 40 FIAB Cc1cc(C)n(-c2cccc(NC(=O)c3oc4c(c3C)C(=O)CCC4)c2)n1 40134050 ZWSCKTBIFJUGQQ-UHFFFAOYSA-N 363.417 4.162 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40145715 NQECBXJDTPVCAB-ROUUACIJSA-N 370.518 4.139 0 40 FIAB CC(=O)c1cn(CCC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12 40309413 YHXIWYBDYIKDDB-UHFFFAOYSA-N 373.456 4.074 0 40 FIAB biogenic CSc1cc(-c2csc(NCC(F)(F)F)n2)ccc1NC(C)=O 48354842 SOCHJIOQPWFXSK-UHFFFAOYSA-N 361.414 4.465 0 40 FIAB CCCN1COc2ccc3c(=O)c(-c4ccccc4F)c(C)oc3c2C1 57176049 CUXKHFRLSIPXTN-UHFFFAOYSA-N 353.393 4.469 0 40 FIAB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccc(F)cc1)CCO3 57709645 BZLTVQYAQGXFCN-UHFFFAOYSA-N 352.409 4.167 0 40 FIAB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CCc1cccnc1 58179767 CRKVITVAVUBTLU-HXUWFJFHSA-N 360.461 4.084 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 59488461 WDNJCPBEJFWWPX-JTQLQIEISA-N 367.207 4.124 0 40 FIAB COc1ccc(-c2cc(C[C@@H]3C[C@H](NC(=O)C4CCC4)C3(C)C)no2)cc1 67890044 BUYMUFMWQTUDON-UZLBHIALSA-N 368.477 4.224 0 40 FIAB biogenic,in-vitro Cc1cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c(C)n1C(C)C 70831235 LOPXLYUKCOYJTL-QGZVFWFLSA-N 368.399 4.168 0 40 FIAB O=S(=O)(c1ccc(-c2csc(C3CC3)n2)cc1)N1CCCCCC1 71872689 GTYLAIXSBNDRNL-UHFFFAOYSA-N 362.520 4.252 0 40 FIAB Clc1cnccc1CN1CCO[C@H](c2cccc(Br)c2)C1 72304876 QIHRTWWBBDKJFS-INIZCTEOSA-N 367.674 4.071 0 40 FIAB CCCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1OCCC 72414219 LITGYAYTMZEEHO-UHFFFAOYSA-N 369.527 4.265 0 40 FIAB CCOC(=O)c1cc2cc(NC(=O)NCc3ncccc3C)ccc2s1 89984851 IZVREUHHEDICFB-UHFFFAOYSA-N 369.446 4.103 0 40 FIAB CSc1cccc(N(C)C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c1 101835017 JPPSEABJXBRNRU-UHFFFAOYSA-N 372.881 4.228 0 40 FIAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218957123 FTUBEGRHAVMDRS-IBGZPJMESA-N 369.461 4.055 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1cccc(C)c1C)CC(C)(C)O2 222821634 OOBXVXLTLWIBBN-SFHVURJKSA-N 353.462 4.409 0 40 FIAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223474455 OEEYMMZVRXISPC-OAQYLSRUSA-N 370.468 4.222 0 40 FIAB COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1C 223801007 XVNJMAWJGFCDIL-UHFFFAOYSA-N 361.463 4.014 0 40 FIAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(Cl)cc1F 224031963 GLBKEICLKSCURC-UHFFFAOYSA-N 366.179 4.113 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224709539 XWAMEPANDDAJJS-JOCHJYFZSA-N 367.489 4.438 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 225307750 BLYMEGSZCMKEGU-UHFFFAOYSA-N 358.869 4.440 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)CCc1ccc(Cl)cc1 225310593 YQIGTCLWHYVYCV-MRXNPFEDSA-N 356.897 4.230 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1C 225460168 MEGPNRYEPKLBEH-SFHVURJKSA-N 354.475 4.146 0 40 FIAB O=C(Cc1noc2ccccc12)NCc1nc(C2CCCCC2)cs1 390831564 SNSAXZZOHCZPFD-UHFFFAOYSA-N 355.463 4.191 0 40 FIAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccccc3F)cc2)CC1 408722785 WZRKXLKINDGKLG-UHFFFAOYSA-N 372.465 4.474 0 40 FIAB CSc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)c1 409023783 PPAMZHXSDXWINY-UHFFFAOYSA-N 368.502 4.208 0 40 FIAB Cc1nc(-c2ccccc2NC(=O)NC[C@H]2CCN(C(C)(C)C)C2)cs1 666971922 KPYVNYPFJIQKAJ-OAHLLOKOSA-N 372.538 4.360 0 40 FIAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1185853380 FOSYCPCVHJCVDC-MRXNPFEDSA-N 356.274 4.268 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccccc2)CN1c1cccc(F)c1 1615158665 RMZWKUFDYKJWHL-QFIPXVFZSA-N 352.453 4.489 0 40 FIAB COc1ccc(C(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1OC 663647 QXFBPZDUQLDMFA-UHFFFAOYSA-N 356.447 4.052 0 40 FIAB COc1cccc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc12 846034 ZSSRQPYOEFJPCQ-UHFFFAOYSA-N 369.377 4.203 0 40 FIAB O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 992798 JEBFVJYPTFKIAW-UHFFFAOYSA-N 352.217 4.456 0 40 FIAB CC(C)c1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1 1080475 YRQUGRPVQZYRFW-UHFFFAOYSA-N 355.507 4.456 0 40 FIAB Cc1ccc(Sc2nc(-c3ccccc3)ncc2S(C)(=O)=O)c(C)c1 1402549 LLONJKWLZBPBFP-UHFFFAOYSA-N 370.499 4.315 0 40 FIAB COc1cccc(N(C(=O)[C@@H]2CCCO2)c2nc3ccccc3s2)c1 2630707 IHHWVQNVRNDPOU-INIZCTEOSA-N 354.431 4.149 0 40 FIAB CCCC[C@@H](NC(=O)c1c(OC)cccc1OC)c1nc2ccccc2[nH]1 2653507 KBZJAOLEKSHKTN-MRXNPFEDSA-N 367.449 4.241 0 40 FIAB COc1ccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 3893187 YYBYNEGJVKGUOF-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB COc1ccc(C(=O)CSc2ccc(-c3ccc(C)cc3)nn2)cc1 4356083 VXRKBLFTZSIQFK-UHFFFAOYSA-N 350.443 4.436 0 40 FIAB COc1ccc(Cl)cc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 4580855 PHUDHIMNRVVSQR-UHFFFAOYSA-N 362.853 4.291 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cccc2)cc1 4628833 OFVATSVGGPWBJB-HNNXBMFYSA-N 354.837 4.214 0 40 FIAB CSc1ccccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270373 LXVDETWVBZFLRH-UHFFFAOYSA-N 368.433 4.010 0 40 FIAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccco2)cc1 5452001 UGRTXTLIQGXHTN-QFIPXVFZSA-N 360.413 4.167 0 40 FIAB O=C(CSc1ccc2ccccc2c1)NC(=O)Nc1ccccc1F 5775916 VWDKAJWSLJDOPZ-UHFFFAOYSA-N 354.406 4.419 0 40 FIAB CC(C)COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 5844464 LEPLIVVFMSRTEU-UHFFFAOYSA-N 372.490 4.013 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=S)Nc1ccccc1C(C)C 5939895 OTLAURDHOBIHPP-UHFFFAOYSA-N 355.507 4.352 0 40 FIAB COc1ccc2c(C)c(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)oc2c1 6660668 WXJUUBLZGJNNFP-UHFFFAOYSA-N 365.429 4.415 0 40 FIAB CNC1=NC(C)=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)S1 6666338 RUSWPASHMKPZFL-GOSISDBHSA-N 352.459 4.067 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)C1 6941330 SHGTVYUZUUOQPD-BETUJISGSA-N 370.888 4.243 0 40 FIAB Cn1c(Cc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)nc2ccccc21 7119381 HLKCLPLPOQBPJK-UHFFFAOYSA-N 374.469 4.172 0 40 FIAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(C(F)(F)F)n3C)o2)cc1 7180734 FGDZIWPYRSZKOL-SECBINFHSA-N 369.372 4.046 0 40 FIAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-n2cccc2)cc1 7287038 IPXYBUWLSCPIQJ-UHFFFAOYSA-N 351.793 4.135 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)cc1F 7458963 JWJQCOOWKMOMFZ-SNVBAGLBSA-N 363.439 4.365 0 40 FIAB Brc1ccc(OCC[n+]2cccc(-c3ccccc3)c2)cc1 7760945 PEVIZZBEWNAFDU-UHFFFAOYSA-N 355.255 4.483 0 40 FIAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1OC 7886180 HMMBELXVSYSHDC-SFHVURJKSA-N 358.825 4.086 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 7904883 MYLSBWXJQIUDCD-GFCCVEGCSA-N 357.479 4.253 0 40 FIAB CN1CCN(c2nc(C(F)(F)F)nc3ccccc23)[C@H](c2ccccc2)C1 8326078 PEBFQZHOUXRNCQ-KRWDZBQOSA-N 372.394 4.142 0 40 FIAB CCCc1nnc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)s1 9355169 YNJVLOBBHQDBHZ-UHFFFAOYSA-N 372.475 4.057 0 40 FIAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccn4)ccc3o2)cc1 9660037 MWGGZRKOTZWUJS-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB biogenic C[S@@](=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 9900766 HBKHQGPIMQJFMV-BVZFJXPGSA-N 373.474 4.144 0 40 FIAB Cc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)on1 10235866 NFVBFLCEDQVTCV-UHFFFAOYSA-N 361.854 4.266 0 40 FIAB Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)C1CCCC1 12222807 XSUDLFGSUUXGBI-UHFFFAOYSA-N 362.477 4.103 0 40 FIAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1Cl 12541539 JHEIVQQSJYIYEY-UHFFFAOYSA-N 370.261 4.287 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 12547377 FAYYLBSIFUNVTQ-GOSISDBHSA-N 374.271 4.175 0 40 FIAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccccc3)s2)cc1 12995640 CGVVZZQRKHLYJD-UHFFFAOYSA-N 352.459 4.269 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc2)n1 13000954 MTJIUUTZANQNBI-UHFFFAOYSA-N 374.448 4.067 0 40 FIAB COc1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c1 13154336 GICMNQCFHFYERH-BYNSBNAKSA-N 354.277 4.490 0 40 FIAB CCc1ccc2[nH]c(=O)c(CNc3cc(C(F)(F)F)ccc3O)cc2c1 13561630 UHIFXZSCNLFWDB-UHFFFAOYSA-N 362.351 4.427 0 40 FIAB COc1ccc(CNCC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1 13756206 RTMYNEJVZJZFHI-SKPFHBQLSA-N 366.549 4.473 0 40 FIAB CC(C)(C)c1ccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cc1 13987825 PXJWWATWNSTWAG-UHFFFAOYSA-N 368.477 4.165 0 40 FIAB O=c1c(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)coc2ccccc12 13993904 UMJDRBHCOJNTDW-IBGZPJMESA-N 367.420 4.113 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)c(C)c(C)c2C)c1C 14812234 AVBTXKJZRZVNHQ-UHFFFAOYSA-N 355.434 4.108 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1OC(F)F 15124623 NKBJRYKLWSBLSF-UHFFFAOYSA-N 356.756 4.001 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 16381067 AKJHGZHSPDGWCQ-UHFFFAOYSA-N 363.433 4.256 0 40 FIAB CCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1CC 20033966 WVFLYLUWRZWKKF-UHFFFAOYSA-N 373.309 4.288 0 40 FIAB CCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3cccc(C)c3nc21 21596537 XXKXVZMAPLQKQU-UHFFFAOYSA-N 374.444 4.239 0 40 FIAB Cc1cccc(OC(=O)Cc2csc(COc3ccc(F)cc3)n2)c1 22978811 LJMARZXPPIFSSN-UHFFFAOYSA-N 357.406 4.318 0 40 FIAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1Cl 25368499 AOVKLLOVPLLXLS-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB Cc1ccc2cc(CCN3C(=O)c4ccccc4C3=O)c(Cl)nc2c1C 26422742 YBRPFSCVHOPBNP-UHFFFAOYSA-N 364.832 4.344 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Cl)n(-c2ccc(F)cc2)n1 28245244 YBSCPZWLZLHGRE-ZDUSSCGKSA-N 373.815 4.379 0 40 FIAB O=C(O[C@@H]1CCCC[C@H]1OC(=O)c1ccccc1F)c1ccccc1F 28294366 FHRJEALJEXADSX-QZTJIDSGSA-N 360.356 4.290 0 40 FIAB Cc1nn(CN(C)Cc2ccc(Cl)c(Cl)c2)c(=O)c2ccccc12 29656307 CJGLMRADFXJOCG-UHFFFAOYSA-N 362.260 4.101 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1N1CCCC1=O 30788650 PUTKTOPAURVCQO-UHFFFAOYSA-N 367.430 4.091 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(F)cc2cccnc12 32825210 ULDAEDAZQBIKOJ-OAHLLOKOSA-N 361.424 4.148 0 40 FIAB COc1ccccc1-c1cc(C(=O)N(C)Cc2c(F)cccc2Cl)no1 32830243 FDQNHKHOSQTDAL-UHFFFAOYSA-N 374.799 4.415 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1Cl 33862390 PDIAGWIBLWIOTD-UHFFFAOYSA-N 372.881 4.088 0 40 FIAB O=C(c1ccccc1)[C@@H]1CN(C2CCCCC2)CC[C@@]1(O)c1ccccc1 34617354 LNTVSDPXHOIVLW-LADGPHEKSA-N 363.501 4.412 0 40 FIAB CC[C@@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccc(OC)cc1 35622534 MCXCBTOLZCHJBK-GOSISDBHSA-N 357.845 4.062 0 40 FIAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(NC2CC2)o1 39404190 IPBPPSMQKDKABR-UHFFFAOYSA-N 354.431 4.057 0 40 FIAB CCCc1cc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)sc1C 40049175 PXHVDEKZUVGUKL-INIZCTEOSA-N 368.506 4.072 0 40 FIAB CSc1ccc([C@@H](CNC(=O)C2CC2)N2CCc3sccc3C2)cc1 47042446 GLXBSMLSCMWYJR-GOSISDBHSA-N 372.559 4.096 0 40 FIAB Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2c1ccc1ccccc12 47343156 LWBSHDDCHAKLMQ-UHFFFAOYSA-N 369.384 4.327 0 40 FIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H]1c1ccsc1 48234180 UYDFKEHNBUOCFH-RBUKOAKNSA-N 357.475 4.283 0 40 FIAB CC(=O)Nc1cc(C(=O)N(C)CCCOc2ccc(Cl)cc2)ccc1C 48369115 GWVRMSWGEXIWAR-UHFFFAOYSA-N 374.868 4.148 0 40 FIAB Cc1c(CN2CCN(c3ccccc3)CC2)noc1-c1ccc(F)cc1 57322994 VTCIUAARDOOQED-UHFFFAOYSA-N 351.425 4.111 0 40 FIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)CCNc1ccccc1 58065372 CLSXNGGZBXTLFP-UHFFFAOYSA-N 359.473 4.421 0 40 FIAB CNC(=O)c1cc(NC(=O)c2ccc(Cl)c3cccnc23)ccc1Cl 58208687 PCBKQEHWRNBECJ-UHFFFAOYSA-N 374.227 4.154 0 40 FIAB Cc1nc(-c2cccc(NC(=O)C3(c4cccc(F)c4)CCCC3)c2)n[nH]1 72012226 APQQHLQOOAKCTO-UHFFFAOYSA-N 364.424 4.370 0 40 FIAB CCc1ccc(CN(CC(=O)Nc2cc(C)nn2C(C)(C)C)C2CC2)cc1 78696229 DXEPVAKUAJFDJR-UHFFFAOYSA-N 368.525 4.112 0 40 FIAB Cc1cc([C@@H](O)CCNC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 85562123 AKCCFQPACMQDGB-HNNXBMFYSA-N 356.344 4.160 0 40 FIAB COc1cccc(-c2ccc3cc(C(=O)NC4CC4)c(-c4cocn4)n3c2)c1 96267046 CHOOULKSZIRGIF-UHFFFAOYSA-N 373.412 4.162 0 40 FIAB c1ccc(-c2ccc3c([C@@H]4CCCN4Cc4nccs4)nnn3c2)cc1 96267880 WXXWTKSBEJBMPY-KRWDZBQOSA-N 361.474 4.190 0 40 FIAB Cc1ccc([C@H]2C=C(C(=O)O)Nc3cc(-c4ccc(Cl)cc4)nn32)cc1 101353786 MSTUHZMFRBAZPK-GOSISDBHSA-N 365.820 4.495 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nnc(-c3ccccc3)o2)C1 102447874 SRJDDZJBDYEUFR-MGPUTAFESA-N 371.506 4.256 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 115132175 MREJDOYMAVOSQZ-INIZCTEOSA-N 370.518 4.395 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CCSCc2ccccc2)c1 218996375 GXGRSFDMOHXOEO-UHFFFAOYSA-N 357.475 4.434 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(CC)cc1 222872718 UVMMTXRJPJASFT-IBGZPJMESA-N 355.434 4.222 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 223580269 FVCCDJKZOUBGJE-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 223716704 YVQWVQZYNFQZMA-UHFFFAOYSA-N 361.507 4.204 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(Cl)cc2)c1 225110672 QOPBLHGNZXXYIT-UHFFFAOYSA-N 361.869 4.346 0 40 FIAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OC 225675433 PJFOEUXEVGNMCX-UHFFFAOYSA-N 367.445 4.322 0 40 FIAB CCOC1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCCCC1 225710506 GWWCROPOUKPZKU-CQSZACIVSA-N 369.889 4.432 0 40 FIAB CSc1cccc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)c1 225723718 WVMQSRKOMUKUFN-UHFFFAOYSA-N 358.850 4.016 0 40 FIAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc2sc(NN)nc12 226309753 MXNIIAKTZMWDTL-UHFFFAOYSA-N 370.478 4.140 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@H]1C[C@H]2C=C[C@H]1C21CC1 247521247 XMQYFVZEPJWTBR-VNQPRFMTSA-N 354.450 4.414 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(O)c(Cc2ccccc2)c1 257221974 DRIWOKDPPNTFDO-UHFFFAOYSA-N 361.397 4.242 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc(-c3ccccc3C(=O)O)ccn2)C1 257240785 HVFIIUWCLNYRGG-MRXNPFEDSA-N 366.461 4.199 0 40 FIAB O=C(O)c1cccc(Cl)c1CN1CCO[C@H](c2cccc(Cl)c2)C1 574922423 SJCOURUBQJEURU-KRWDZBQOSA-N 366.244 4.265 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)Cc1nc2ccccc2n1C 600516417 AVGUASZBSCUUJB-MBOZVWFJSA-N 371.525 4.009 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N1CCc2ccccc2C1 605497563 KSXUHUJBOZKOLQ-SFHVURJKSA-N 371.484 4.058 0 40 FIAB COC(=O)c1cncc(NCCc2ccccc2Oc2ccc(C)cc2)n1 1642796781 DJLCGJBRBCMXCV-UHFFFAOYSA-N 363.417 4.019 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1cc2ccccc2[nH]1 1775966504 IBQWALIZGBGSQW-HXUWFJFHSA-N 362.454 4.360 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccccc1)N(c1ccc(Br)cc1)C2=O 626619 ZCJUVKBJIHLVKI-QGZVFWFLSA-N 368.234 4.230 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc1Cl 1961513 PZLFEHYCCWRVAV-UHFFFAOYSA-N 366.845 4.098 0 40 FIAB Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)c(Br)c1 2269217 IGSOXJAGCISACS-UHFFFAOYSA-N 367.243 4.023 0 40 FIAB O=C(COc1ccccc1Cl)NC(=O)Nc1c(Cl)cccc1Cl 3149570 KXUCBTASUSHGQN-UHFFFAOYSA-N 373.623 4.374 0 40 FIAB COC(=O)c1ccc(/C=C/C(=O)Nc2nc3c(C)cccc3s2)cc1 3284139 XTZGOXRKYWEWIH-DHZHZOJOSA-N 352.415 4.043 0 40 FIAB COc1ccc2c(-c3ccccc3)cc(S[C@H]3CCOC3=O)nc2c1 3297811 JMQGBIFEUSGCCS-SFHVURJKSA-N 351.427 4.318 0 40 FIAB C[C@@H](NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 3348912 FTEBGPHHVXIKPY-GOSISDBHSA-N 373.452 4.317 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCC(N)=O)n2C2CCCCC2)cc1 3437156 PPLMZTROYYNGFB-UHFFFAOYSA-N 372.538 4.325 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc2sc3ccccc3n12 3444448 SDFKKYBQEZLQNF-GFCCVEGCSA-N 368.487 4.372 0 40 FIAB CCC[C@H]1O[C@@H](c2cc3c(cc2Br)OCO3)OC[C@H]1CC 4769135 NHIDCHKHWNMAEV-ZXIHIIQKSA-N 357.244 4.418 0 40 FIAB CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2F)C(c2ccccc2)=N1 4890911 PVGDEEYKNXNWSN-UHFFFAOYSA-N 373.428 4.274 0 40 FIAB CSc1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 6052716 GPMNVQSPVVHPFY-UHFFFAOYSA-N 369.364 4.223 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1cc(F)ccc1F 6496209 GBYQGWPCVCFHKV-UHFFFAOYSA-N 367.351 4.427 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2nc(C)sc2c1 6540170 XYFMQCCJESUHFZ-UHFFFAOYSA-N 364.430 4.051 0 40 FIAB O=C(Cc1ccsc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657641 RGKJQWCWVOOQHY-LJQANCHMSA-N 361.470 4.267 0 40 FIAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3CC)CC2=O)cc1 6880955 JOYULJRTGBNYPU-QGZVFWFLSA-N 366.461 4.029 0 40 FIAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)ccc1Cl 7221860 WGGYGZFAMGSPAF-SNVBAGLBSA-N 367.232 4.204 0 40 FIAB CSc1ccc(CC(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 7597719 NEFRGTSWTYWOEY-UHFFFAOYSA-N 353.447 4.257 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1 7624401 YBTKYRHPTZFHRJ-RHSMWYFYSA-N 355.507 4.239 0 40 FIAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 7882143 MVOCRKXGYOYJPB-QFBILLFUSA-N 358.441 4.388 0 40 FIAB CCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 8227140 QLFLBAOPQMMSDD-UHFFFAOYSA-N 350.256 4.146 0 40 FIAB COc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3nccnc23)cc1 9074437 JPQOBJVWFYXABJ-UHFFFAOYSA-N 362.368 4.055 0 40 FIAB COc1ccc2nc(NC(=O)c3cccnc3SC(F)F)sc2c1 9363955 WAPIRBGKCJODIH-UHFFFAOYSA-N 367.402 4.267 0 40 FIAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(F)cc1 9690645 BIVAXTMCVGWYSP-BLVKFPJESA-N 357.406 4.059 0 40 FIAB COc1ccc(-n2nc(CSc3nc4ccccc4s3)cc2O)cc1 9939676 DQBWTGWBJZYWRO-UHFFFAOYSA-N 369.471 4.489 0 40 FIAB CCOc1ccccc1/C=C/C(=O)N1CCC(C(=O)c2ccccc2)CC1 9987879 GUMHVKFHHBBXBI-OUKQBFOZSA-N 363.457 4.220 0 40 FIAB CCSc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10252448 AVEOBHOSIBQOSP-UHFFFAOYSA-N 355.488 4.498 0 40 FIAB CN(C(=O)CSCc1ccc(Br)cc1)c1ccccc1 10285137 PLIUQOOZAANDEQ-UHFFFAOYSA-N 350.281 4.345 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)c(C)c1 10446294 GIHNWQUWKGAYEE-OAHLLOKOSA-N 357.475 4.432 0 40 FIAB CCn1ccnc1S[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 11889068 UFXXWKWQBKMSAR-SFHVURJKSA-N 367.474 4.384 0 40 FIAB COc1ccccc1C[C@H](C)NC(=O)c1c(-c2cccc(C)c2)noc1C 12196873 XCFIFAJKTWUUJY-HNNXBMFYSA-N 364.445 4.328 0 40 FIAB COc1ccc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1OC 12341076 ZENJKCCRVONJGA-UHFFFAOYSA-N 362.838 4.209 0 40 FIAB O=c1[nH]c(CSc2ccc3ccccc3n2)nc2ccc(Cl)cc12 12543127 DUAZXIYWLQVNIJ-UHFFFAOYSA-N 353.834 4.417 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 12560374 DTAJATDVVLXATQ-SFHVURJKSA-N 364.836 4.074 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 12740373 YZSCWDYXPPWGCF-UHFFFAOYSA-N 365.454 4.285 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1Cl 12801718 JOCHMAPOIOHPOO-MRXNPFEDSA-N 355.240 4.165 0 40 FIAB CC(=O)c1csc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1 12875895 YGTAMRURNRDLBJ-QMMMGPOBSA-N 359.234 4.059 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc(-c2cccs2)cs1 12910710 LWTBAPJQOAJUTR-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB CN(C)[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1 12925206 OTBJZSGZWWJSOA-MRXNPFEDSA-N 355.240 4.165 0 40 FIAB c1ccc2c(c1)nc1n2CC2(CS1)CSc1nc3ccccc3n1C2 13207299 MLLGDIHQWNDKMF-UHFFFAOYSA-N 364.499 4.284 0 40 FIAB Cc1nn([C@@H](C)CC(=O)Oc2ccc(Cl)cc2)c(C)c1Br 13568789 SIJADRVCVZVCRA-VIFPVBQESA-N 371.662 4.473 0 40 FIAB COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 14198367 XDAICZZRUQKXQW-BTYIYWSLSA-N 366.461 4.062 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c(C)c1 15883003 WWHNPEHQGDHVNC-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB FC(F)(F)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1 19117411 VCTZZMTTXRRDFE-UHFFFAOYSA-N 350.266 4.038 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C 19943378 RWKJASUIWTVPRE-UHFFFAOYSA-N 373.518 4.311 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 22529910 YAPICHCIAWJGGD-GFCCVEGCSA-N 361.825 4.095 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)cc2c1C 22844567 YQJHMKJUYCOESB-CDHAZOANSA-N 356.466 4.025 0 40 FIAB C[C@H](NCc1nc(COc2ccc(F)cc2)no1)c1ccccc1Cl 23358552 KTYMORNNVUFHHT-LBPRGKRZSA-N 361.804 4.292 0 40 FIAB O=C(NCCCOc1ccccc1)NCCc1ccc(C(F)(F)F)cc1 29322420 CZEGIDZQXJDDMJ-UHFFFAOYSA-N 366.383 4.016 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1 32647610 NEUUXKOLRNDZGL-VIFPVBQESA-N 355.768 4.126 0 40 FIAB O[C@@H](CO[C@H]1CCCc2ccccc21)CN(Cc1ccc(F)cc1)C1CC1 32751126 LJICEEKUANFLPZ-GGAORHGYSA-N 369.480 4.245 0 40 FIAB COc1ccc(OCc2noc(CN[C@@H](c3cccs3)C(C)C)n2)cc1 32868812 UOFSRGBYOFLTQH-LJQANCHMSA-N 373.478 4.206 0 40 FIAB O=C(CCCc1cccs1)NCc1ccnc(OCc2ccccc2)c1 32930405 NDYHVXHXIDZOEE-UHFFFAOYSA-N 366.486 4.361 0 40 FIAB Cc1cc(N[C@H](c2ccc3c(c2)CCC3)c2cccs2)n2ncnc2n1 40018060 BNMWPBZUQREUKO-LJQANCHMSA-N 361.474 4.184 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)cc1OC 40142572 IPXHLHZNSVZQIE-LKUPDRCFSA-N 369.461 4.448 0 40 FIAB O=C(NCc1ccc(F)cc1)N(Cc1ccsc1)Cc1ccccn1 44446200 VPVXAHLRPRIZSH-UHFFFAOYSA-N 355.438 4.194 0 40 FIAB Cn1c(SCC(=O)Nc2cc(F)ccc2F)nc2cc(Cl)ccc21 46882442 RGMZSPZNDQUTFX-UHFFFAOYSA-N 367.808 4.236 0 40 FIAB Clc1c(CN[C@H]2CCCN(c3ncccn3)C2)sc2ccccc12 48745275 GCJSQEKUCAWBJE-ZDUSSCGKSA-N 358.898 4.103 0 40 FIAB COc1cc([C@H](C)NCc2csc(C)n2)ccc1OCc1ccncc1 48746847 GNCHRPVSZLEWQM-AWEZNQCLSA-N 369.490 4.285 0 40 FIAB Cc1nc(COc2cccc(/C=C/C(=O)OCc3cccnc3)c2)cs1 54566363 KYDOOJLVSWXUFU-BQYQJAHWSA-N 366.442 4.182 0 40 FIAB CCN(C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72212747 MUBKZNNFEKYGCO-LJQANCHMSA-N 353.466 4.402 0 40 FIAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2CCc2ccccc2)n1 72376237 BQKCMCWFKXNITL-FQEVSTJZSA-N 359.477 4.303 0 40 FIAB O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccc(F)cc1Cl 77116783 PDEFAIINMQHKRW-IBGZPJMESA-N 357.812 4.486 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc(C)cc1 78579423 RHLKRPNDISXNKU-UHFFFAOYSA-N 355.463 4.088 0 40 FIAB CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)ccc1Br 80015659 FQQUOZPMBMORKV-UHFFFAOYSA-N 354.631 4.080 0 40 FIAB Cc1cc([C@H](C)NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(C)o1 84081655 MODRKGKZTZFKFS-LBPRGKRZSA-N 360.841 4.168 0 40 FIAB O=C(Nc1cccc(C2SCCS2)c1)N(C[C@H]1CCOC1)C1CC1 84374411 VCQFVVORRHEZQL-CYBMUJFWSA-N 364.536 4.198 0 40 FIAB O=C1C[C@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c2ccccc2N1 95348613 JZDWSGPCOVPOFQ-AWEZNQCLSA-N 372.827 4.096 0 40 FIAB COc1ccc(CN[C@H](C)[C@H](OC)c2ccccc2F)cc1OCC1CC1 95989239 FGOSSAKNMKYADT-QRQCRPRQSA-N 373.468 4.489 0 40 FIAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC[C@H](c2ccc(F)cc2)C1 206669845 RWYRMQCNAUKCEN-HNNXBMFYSA-N 353.397 4.219 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222839303 KUNHCDGVBNHLGV-WOJBJXKFSA-N 362.502 4.253 0 40 FIAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354232 HOXHZRPUQCOYCV-OALUTQOASA-N 366.490 4.230 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)ccc1F 224888155 UBODJCNOZZHLJV-QZTJIDSGSA-N 353.422 4.299 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCN(C)c2ccccc2)c1 225471046 AWVQYOXKZBGMCF-SFHVURJKSA-N 354.494 4.138 0 40 FIAB CCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(OC)cc1 225761814 WAPRDCJSEXGZHE-UHFFFAOYSA-N 353.447 4.337 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)c1 225771919 KBUOPXMSJDUXTN-UHFFFAOYSA-N 372.837 4.069 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F 225781050 QCVSQEZJBVDACX-UHFFFAOYSA-N 362.832 4.189 0 40 FIAB CCN(C(=O)c1c(-c2ccc(F)cc2)noc1[C@H](C)O)C1CCCCC1 253405689 SZHXGGMUARQYDR-ZDUSSCGKSA-N 360.429 4.329 0 40 FIAB biogenic,in-vitro Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 257297759 RISAPNFLRXDUMZ-OAHLLOKOSA-N 358.511 4.261 0 40 FIAB CCOC1CC2(CCN(C(=O)c3csc(-c4ccc(C)cc4C)n3)C2)C1 585082152 PIUQLTCJFSZKOK-UHFFFAOYSA-N 370.518 4.458 0 40 FIAB COc1cccc(C2(NC(=O)Nc3cc(F)c(OC)cc3C)CCC2)c1 666758082 JWLOKKINSQELBW-UHFFFAOYSA-N 358.413 4.352 0 40 FIAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)o1 2037978118 BRGUCCXWOPCOLL-QAPCUYQASA-N 356.441 4.247 0 40 FIAB C[C@H](O)C1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 80369547 CGVLHOYIZKIAOX-HNNXBMFYSA-N 355.478 4.477 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1cccs1 7356984 SRDJFOYGKCHFPY-NSHDSACASA-N 357.306 4.364 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CCCCC1 793610 KQIDNTQGRJEEMG-UHFFFAOYSA-N 358.511 4.385 0 40 FIAB Clc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCOCC2)cc1 20366649 NIAORXUNESQSAN-UHFFFAOYSA-N 362.260 4.140 0 40 FIAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O 2447845 VGZZDRZKLKRAON-UHFFFAOYSA-N 372.804 4.049 0 40 FIAB COc1cc(NC(=O)COc2cc(Cl)ccc2Cl)cc(OC)c1 2620506 HPLLXKNAHJVRRX-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)c1C 6372436 AKPDCNYZMWGFGS-SFHVURJKSA-N 350.462 4.418 0 40 FIAB Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 7468277 ACYYCBLXWYEVKA-UHFFFAOYSA-N 365.820 4.427 0 40 FIAB COc1ccc(-c2cc(Nc3ccc(OC)cc3OC)nc(C)n2)cc1 15859157 REAVKKIPLRTUIK-UHFFFAOYSA-N 351.406 4.221 0 40 FIAB C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C(F)(F)F)cc1 29238825 UXECHGGUAYSYRY-LLVKDONJSA-N 361.319 4.303 0 40 FIAB O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CCOc2ccccc21 32624480 ADHOBTWMGWYLAK-UHFFFAOYSA-N 360.413 4.260 0 40 FIAB COc1cc(OC)cc(C(=O)NCCSCc2ccccc2Cl)c1 8108176 VEUCEYOYTVLTMB-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1 21786524 QCNHLGFTEHKSIO-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 33097146 BWGXQVVOFFZGTJ-LRDDRELGSA-N 367.276 4.279 0 40 FIAB CCCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2614701 ZXLOJEXCRNFXBA-UHFFFAOYSA-N 357.504 4.367 0 40 FIAB O=C(Nc1ccc2ccccc2c1)c1ccn(COc2ccccc2F)n1 2786470 IQQZNWDESZMMNS-UHFFFAOYSA-N 361.376 4.464 0 40 FIAB CC[C@H](C)OC(=O)[C@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 783688 XNFDIMOGCQLTHD-STQMWFEESA-N 356.447 4.028 0 40 FIAB COc1ccc(NC(=O)CSc2ncnc3c2oc2ccccc23)cc1 2722794 AVUJCUXXLNQJMQ-UHFFFAOYSA-N 365.414 4.115 0 40 FIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1 23054867 XFIBNWAMGQBIKJ-LBPRGKRZSA-N 364.442 4.098 0 40 FIAB COC(=O)COc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 957217 PNDWHYKAGLRNTB-UHFFFAOYSA-N 368.385 4.062 0 40 FIAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Cl)c(Cl)c1 23718805 LMQVINZVHBVRHN-NSHDSACASA-N 362.260 4.423 0 40 FIAB CCc1ccccc1NC(=S)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 100423636 PBNXVLSZMCWJCQ-QZTJIDSGSA-N 369.534 4.324 0 40 FIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(OC)cc1)CO3 55393847 WHLONVQZXHWETF-UHFFFAOYSA-N 365.429 4.025 0 40 FIAB biogenic O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(Cn2ccnc2)c1 25263826 BUJFGMBTYTYNSS-UHFFFAOYSA-N 358.445 4.374 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1COc2ccc(Cl)cc2C1 12554163 ASOVBCIOIFOKSI-ZDUSSCGKSA-N 371.849 4.048 0 40 FIAB C[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)N(C)c1ccccc1 58109967 XZNUJSWXIPDSPL-HNNXBMFYSA-N 366.490 4.457 0 40 FIAB CCCCCC(=O)N[C@H](Nc1ccccc1OC)C(Cl)(Cl)Cl 3150357 NFDKMHDQGQXMDU-AWEZNQCLSA-N 367.704 4.500 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1cccc(CN2CCCC2)c1 89878775 FYMKXCIZWRXIPY-UHFFFAOYSA-N 360.457 4.453 0 40 FIAB CCn1c(NC(=O)c2sc(NC(=O)C3CC3)cc2C)nc2ccccc21 10652383 GSHIXRXNKGAXFI-UHFFFAOYSA-N 368.462 4.027 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(COC)cc2)cc1Cl 27392600 YGLUSYKAYBYUHE-UHFFFAOYSA-N 374.868 4.221 0 40 FIAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccncc1 3325457 DOTGYVVYNGNWOU-UHFFFAOYSA-N 354.768 4.357 0 40 FIAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccnc1 12790505 GOQBKIRRMUJQEA-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB CCOC(=O)/C(=C\OCCOc1cc(C)cc(C)c1)Oc1ccccc1 17155080 DQSKQFNMXJPJHS-HMMYKYKNSA-N 356.418 4.182 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)N3CCC[C@@H]3c3cccs3)c2O1 12801285 LMRGSFWJIJZRHV-OAHLLOKOSA-N 357.475 4.204 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1Cl 7706362 UNZDCVLSTZBKJZ-UHFFFAOYSA-N 363.826 4.329 0 40 FIAB COc1ccc(COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OC 12991819 JTIJGSGSMLCDCH-VQHVLOKHSA-N 366.335 4.479 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12974591 XMLGUYFTWZPJPY-UHFFFAOYSA-N 363.373 4.361 0 40 FIAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccc3c(c1)oc1ccccc13)C2=O 4084431 YAZVXDKXHPZOPH-UHFFFAOYSA-N 371.348 4.173 0 40 FIAB c1ccc(-c2cc(CSc3nnc(NC[C@H]4CCCO4)s3)no2)cc1 8157183 DZNOIABFXVJIJU-CQSZACIVSA-N 374.491 4.076 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCCC[C@H]1c1ncc[nH]1 65585363 QDDLCHMFNIBFAA-ZDUSSCGKSA-N 360.487 4.068 0 40 FIAB O=C([C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1)N1CCCCC1 14139085 WBUKZVONPXPPGN-QFIPXVFZSA-N 361.489 4.054 0 40 FIAB CC1CCN([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 6650391 WSCSQQCFFWPHOI-LBPRGKRZSA-N 365.449 4.147 0 40 FIAB CCCOc1ccc(NC(=O)COc2ccccc2F)cc1OCCC 5617456 XNWXSYNGBOWWIR-UHFFFAOYSA-N 361.413 4.421 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)Nc3cccc(C(=O)NC4CC4)c3)o2)cc1 8342151 IYZDAFDBYRCHKO-AWEZNQCLSA-N 362.433 4.110 0 40 FIAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1oc2ccccc2c1C 14865338 VJZOCELZLXOWMY-UHFFFAOYSA-N 372.371 4.120 0 40 FIAB O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)F)cc1 15123001 ZIMUSDNYULTZIN-UHFFFAOYSA-N 360.282 4.357 0 40 FIAB O=C(/C=C/c1cccc(Br)c1)NCc1ccccc1Cl 7062877 RKPYXIYBEJILDE-CMDGGOBGSA-N 350.643 4.432 0 40 FIAB O=C(COc1ccccc1)Nc1cc(-c2ccc(Br)cc2)no1 27749611 YSTHTWKBBJBYEK-UHFFFAOYSA-N 373.206 4.122 0 40 FIAB c1ccc(-c2noc(CSc3nnc4sc5ccccc5n34)n2)cc1 8707716 ZJFNSRJYPDVGRW-UHFFFAOYSA-N 365.443 4.286 0 40 FIAB CC(C)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 20819052 DKWIXOBPFOGBEE-CQSZACIVSA-N 356.495 4.354 0 40 FIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NC1=NCCS1 9863034 RSNNTDRMUSUNHX-UHFFFAOYSA-N 367.449 4.126 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 22514967 UCEVFCWLSIDVFI-ZDUSSCGKSA-N 361.463 4.222 0 40 FIAB O=C(NC[C@@H]1COc2ccccc2C1)C1(c2ccc(F)cc2)CCCCC1 84579464 YOMHRPXQNSTDSW-QGZVFWFLSA-N 367.464 4.395 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccccc3C)CC2)cc1 9984413 HTHBGPREFKWBCB-FMIVXFBMSA-N 363.457 4.138 0 40 FIAB CCOc1ccccc1C(=O)Nc1cnn(Cc2cccc(Cl)c2)c1 28220589 KWERKSDTJRIWRI-UHFFFAOYSA-N 355.825 4.236 0 40 FIAB O=C(CSCc1cccc(Cl)c1)NCc1ccc(-n2ccnc2)cc1 20454461 DVCGJQLAWURXAO-UHFFFAOYSA-N 371.893 4.075 0 40 FIAB COc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 25132038 JPDXJGJGAFLJQK-UHFFFAOYSA-N 361.825 4.267 0 40 FIAB Cc1cccc(Cn2nccc2NC(=O)c2ccc(Cl)nc2Cl)c1 60098816 XOWPAHBWARCOGD-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB CCCCCC(=O)NC(=S)/N=c1\[nH]c2ccc(CCCC)cc2s1 32118728 UNQLVXUAOXMIMD-UHFFFAOYSA-N 363.552 4.454 0 40 FIAB COc1cccc(C[C@@H]2CCCN2C(=O)Nc2scnc2C2CC2)c1 534252472 ULRQCNASMAAYDN-HNNXBMFYSA-N 357.479 4.268 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc3oc(C4CC4)nc3c2)cc(OC)c1 33214575 YLUXXNXUEQDKNP-FPYGCLRLSA-N 364.401 4.374 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21)c1ncco1 1554042022 DPPLKEFXLHZQEZ-OCCSQVGLSA-N 368.462 4.172 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1cccc(F)c1 36620643 YLLPYNAMKXRALN-MRXNPFEDSA-N 357.809 4.144 0 40 FIAB COc1cc(NC(=O)Nc2cccc(Br)c2)cc(OC)c1 48520890 FZPGFFFYZUDVLS-UHFFFAOYSA-N 351.200 4.110 0 40 FIAB COc1cccc(OC)c1C(=O)NCCSCc1cccc(Cl)c1 49808641 HTUJDXYRUMAMJS-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)cc1OC 225789605 QDKPZZGYDUVRMQ-HNNXBMFYSA-N 374.506 4.075 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](Sc2cccc(Br)n2)C1 83323391 WZLRUWJLMBWKHE-NSHDSACASA-N 373.316 4.336 0 40 FIAB COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccs3)C[C@@H]21 227487067 ZHBKRIVHMRGSTP-JXFKEZNVSA-N 363.442 4.394 0 40 FIAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225796641 KZWSCPTZYAMSGC-XOBRGWDASA-N 365.470 4.184 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](Cc2ccc(Br)cc2)C(=O)O)c1 225066487 YEDLFEDAEPPDIO-QGZVFWFLSA-N 363.251 4.449 0 40 FIAB COc1cc(C)c(C(=O)NCCCN2CCc3ccccc32)cc1C(C)C 225666001 YMAHAZNNLMDDPT-UHFFFAOYSA-N 366.505 4.310 0 40 FIAB Cc1cccc(OCC(=O)NCCSCc2cccc(Cl)c2)c1C 222815857 SREVRVAZWHQSJG-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 257311676 UKOYKGWZPLZMOT-VYENPZKTSA-N 374.444 4.125 0 40 FIAB O=C(NCCc1cc2ccccc2[nH]1)N[C@@H]1CCCOc2cc(F)ccc21 537455209 RWMZDSQHOJMJER-LJQANCHMSA-N 367.424 4.063 0 40 FIAB CCCS(=O)(=O)Nc1cccc(NC(=O)CCC2CCCC2)c1C 58163683 MBZYEPLYTOXFLG-UHFFFAOYSA-N 352.500 4.056 0 40 FIAB CC(=O)c1ccc(SCC(=O)Nc2ccc3nc(C)oc3c2)c(F)c1 58377791 XYCHAEVRJIDFKE-UHFFFAOYSA-N 358.394 4.209 0 40 FIAB O=C(NO[C@H]1CCCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12 58418791 VEKAPDDVFGUEKN-FQEVSTJZSA-N 366.392 4.229 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1O 1416518 OQFJNOJGGZZWNM-WOJGMQOQSA-N 369.442 4.336 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)c(F)c2)CSC3)cc1 5077689 ZEGAOHGXWQZEDM-UHFFFAOYSA-N 371.412 4.458 0 40 FIAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[C@@H](C)C1 12241228 HCJTYJZVXXRLGC-CUWPLCDZSA-N 358.526 4.103 0 40 FIAB O=c1c(CNc2ccc(O)cc2)cc2ccccc2n1Cc1ccccc1 13564266 GUPFYUOTQSDAEJ-UHFFFAOYSA-N 356.425 4.368 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 13671926 BAUHJHYBSCJPCK-INIZCTEOSA-N 355.478 4.467 0 40 FIAB COc1ccc(CCN(Cc2ccncc2)Cc2cccs2)cc1OC 13989469 KHPJWQWUGNHCIJ-UHFFFAOYSA-N 368.502 4.405 0 40 FIAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)OCC)c1C 14405659 SAAARHPPSHZUDN-UHFFFAOYSA-N 358.442 4.121 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 15222950 URWBXOGHOFNYFS-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB Cc1cc(C)n(C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)n1 19656681 KNGBAZSKJJNOBA-UHFFFAOYSA-N 369.900 4.381 0 40 FIAB CCN(C)[C@@H]1CN(C(=O)c2cccc3cccnc23)C2(CCCCC2)C1 19704014 WFDBYTRXIPMTHK-SFHVURJKSA-N 351.494 4.104 0 40 FIAB O=C(O)c1ccc([C@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120621 GWCOJZCMEYWBAX-FGZHOGPDSA-N 374.392 4.287 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1sc([C@@H]2CCOC2)nc1C 630433205 NFLAMXCUGSRPKC-LLVKDONJSA-N 366.870 4.178 0 40 FIAB O=C(Cc1cccs1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657595 DSTXGARCBLQLNO-IBGZPJMESA-N 361.470 4.267 0 40 FIAB CN(C(=O)Cc1csc2nc(-c3ccccc3)cn12)C1CCCCC1 5146573 FRKWAUCIYZAVTL-UHFFFAOYSA-N 353.491 4.396 0 40 FIAB COc1ccc(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nn1 7573292 VACQOJDFUQTOAA-UHFFFAOYSA-N 373.334 4.423 0 40 FIAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccccn1 9659996 XOFKFTACJGEDSF-UHFFFAOYSA-N 360.344 4.246 0 40 FIAB COc1ccc2c(c1)s/c(=N/C(=O)c1cc(Cl)cc(Cl)c1)n2C 12139802 ODVLHVZYZOUYHB-KNTRCKAVSA-N 367.257 4.296 0 40 FIAB CC1CCN([C@H](CNC(=O)c2occc2-c2ccccc2)C(C)C)CC1 40089261 OBPNLQIODUNFAD-HXUWFJFHSA-N 354.494 4.433 0 40 FIAB Cc1ccc(N2C(=O)c3ccc(NC(=O)c4ccccc4)cc3C2=O)cc1 20095942 KFCQPOXLIFLOQU-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCCCO3)nn1C(C)(C)C 40141020 PKEAPFCCQYJJTD-UHFFFAOYSA-N 357.454 4.175 0 40 FIAB COc1ccc(NC(=O)c2ccc(OC(=O)c3cccs3)cc2)cc1 812730 TZZIAKJSAPYLKV-UHFFFAOYSA-N 353.399 4.228 0 40 FIAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc[nH]1 2640804 ULHRUGQZPBKLEV-UHFFFAOYSA-N 362.410 4.331 0 40 FIAB C[C@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCCC1 3206338 XIAOEYNSXORRSX-GUYCJALGSA-N 363.527 4.399 0 40 FIAB CN(C(=O)[C@H]1COc2ccccc2O1)C(c1ccccc1)c1ccccc1 3366552 HYVRJMIWTKPMDW-OAQYLSRUSA-N 359.425 4.074 0 40 FIAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NCc1ccccc1 3446809 GSBAIQMPDIVNTC-UHFFFAOYSA-N 371.864 4.011 0 40 FIAB CSc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 3504520 ZNUJPFGGALZTSQ-UHFFFAOYSA-N 368.424 4.498 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)Cc2c(Cl)cccc2Cl)c1 3556057 SPSQPPPMRHCYKC-UHFFFAOYSA-N 352.217 4.270 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)NCCC3=CCCCC3)[nH]c2c1 4252458 CDDCMFMBNWVAAS-ZDUSSCGKSA-N 359.495 4.059 0 40 FIAB CCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)c2ccccc12 4538673 LYWICIXPBDHLLH-UHFFFAOYSA-N 366.442 4.215 0 40 FIAB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccccc1)N2 4690407 RBZZMEDGXWFIBU-LSDHHAIUSA-N 360.248 4.313 0 40 FIAB CCOC(=O)C1=C2c3ccc4cc(OC)ccc4c3CC[C@]2(C)C(=O)C1 5103744 RZSZXZSOWKOZIA-JOCHJYFZSA-N 350.414 4.090 0 40 FIAB CC(=O)Nc1ccccc1OCC(=O)N(Cc1ccco1)C1=CCCCC1 5111890 NPWBLYRVRGHOIZ-UHFFFAOYSA-N 368.433 4.104 0 40 FIAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Cl)cc1 5209986 RXGNTWUUWDVGEG-NSHDSACASA-N 358.854 4.244 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)c(Cl)c1 5632678 SCFBANGYSUCVND-UHFFFAOYSA-N 353.205 4.213 0 40 FIAB Cc1cc(C)nc(SCC(=O)N(c2ccccc2)c2nccs2)n1 6083605 FRAXYGZAZPAALO-UHFFFAOYSA-N 356.476 4.007 0 40 FIAB Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c(C)o1 6657453 POYSKAMWZGGKRE-HXUWFJFHSA-N 359.429 4.487 0 40 FIAB CCCCCn1cnnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 7135300 VMIZEYIAGGHTAX-UHFFFAOYSA-N 366.918 4.469 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)OC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)o2)cc1 7149131 ZEPCBKIZYGWWHO-JTUUTPGSSA-N 368.433 4.045 0 40 FIAB CCN(CC)C(=O)[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 7149490 RPLLZPCDQHZQDW-QGZVFWFLSA-N 366.490 4.174 0 40 FIAB Cc1cc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)on1 7226365 IWYOSZPRNOCKLQ-HXUWFJFHSA-N 360.369 4.245 0 40 FIAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(C3CC3)o2)cc1 7289826 UFTXUXDIKPKYMM-UHFFFAOYSA-N 351.431 4.492 0 40 FIAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)s1 7402750 QEVHRQPCJJCZNG-UHFFFAOYSA-N 366.689 4.273 0 40 FIAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1cc2c(F)cccc2s1 7502990 SREPICQYLHGQGG-SFHVURJKSA-N 369.417 4.217 0 40 FIAB CC(C)c1ccc(CN(Cc2cc(=O)n3ccsc3n2)C2CC2)cc1 7797589 NHOWAFNYGBPVMT-UHFFFAOYSA-N 353.491 4.044 0 40 FIAB Cc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)oc2c(Cl)cccc12 8232068 VHPBVWQHKJKNCD-MRXNPFEDSA-N 368.864 4.399 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)cc1C 8558468 XJKLFZSSGJDTRB-SFHVURJKSA-N 357.519 4.429 0 40 FIAB O=C1C=C(Sc2nc3ccccc3s2)C(=O)N1c1ccc(Cl)cc1 8559841 UUVSHFMIPZSUHN-UHFFFAOYSA-N 372.858 4.499 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 8729151 BWHKTVXCKWUFNB-UHFFFAOYSA-N 363.461 4.221 0 40 FIAB Cc1nc(COc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)no1 8753172 HKPGGVGAXRHOGN-UHFFFAOYSA-N 351.406 4.333 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)cc3)ccc21 8958971 MOXUCAAZRWDTSU-UHFFFAOYSA-N 366.461 4.409 0 40 FIAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 9070937 DFGCNUZARJBIPM-UHFFFAOYSA-N 355.360 4.353 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 9137191 AZACQKKYUCELLD-UHFFFAOYSA-N 358.388 4.296 0 40 FIAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1Sc1ccccc1 10516213 NFIFZIBHTOZWLK-UHFFFAOYSA-N 360.460 4.243 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)O[C@@H](C(N)=O)c2ccccc2)cc1 10901434 XAJCMLOEABPQGM-QGZVFWFLSA-N 351.427 4.107 0 40 FIAB CCOc1ccc2oc(C)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1 11866468 KCWFXPTWXNRSDL-UHFFFAOYSA-N 366.417 4.375 0 40 FIAB biogenic COc1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)cc(C)c4c3O2)cc1 12297054 JSOUAGJASAQQBC-INIZCTEOSA-N 350.370 4.125 0 40 FIAB biogenic Clc1ccc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCC4)cc1 12569405 CZQAJRQPNTUHAK-UHFFFAOYSA-N 371.893 4.337 0 40 FIAB CC(C)[C@@H](NC(=O)NCc1ccccc1F)c1ccc2c(c1)OCCCO2 12800087 WNLJFWCYUCBIGE-HXUWFJFHSA-N 372.440 4.184 0 40 FIAB O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(Cl)cc1Cl 13653422 XFXRDFCCNWGDEB-UHFFFAOYSA-N 354.218 4.281 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 14012169 RNQFYXJMOYLSND-UHFFFAOYSA-N 366.461 4.400 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(OC)ccc23)cc1 15497225 BWADDVKZTOOZBO-FQEVSTJZSA-N 365.429 4.147 0 40 FIAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(Br)c1 17074067 QSZRTZINQNAROE-UHFFFAOYSA-N 359.267 4.297 0 40 FIAB Cc1ccc2nc3sc(Nc4ccc(F)c(Cl)c4)nn3c(=O)c2c1 17121809 NBYRWBDIKAVANG-UHFFFAOYSA-N 360.801 4.149 0 40 FIAB Cc1noc2nc(C3CCN(Cc4ccccn4)CC3)cc(C(F)F)c12 19565081 KHIKIPYBCNCYCH-UHFFFAOYSA-N 358.392 4.243 0 40 FIAB Cc1cc(C)n(C2CCN(Cc3ccccc3N3CCCCC3)CC2)n1 19658686 SPYQJGWIPDABSE-UHFFFAOYSA-N 352.526 4.327 0 40 FIAB CCn1c(=N)n(CCCOc2ccc(Br)cc2)c2ccccc21 20069497 NXTOJOAEQQPUIT-UHFFFAOYSA-N 374.282 4.174 0 40 FIAB CCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(Cl)ccc21 22235062 GJFVRTSMLRBTIY-UHFFFAOYSA-N 362.763 4.205 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccccc1F)c1cccs1 22833738 TZQFEBVKBCRAQE-UHFFFAOYSA-N 354.406 4.070 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 23117273 DJLIJRVDOVDLOH-UHFFFAOYSA-N 372.440 4.104 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCCCCC3)cc2)cc1 30946182 JLTVBJQJIGAHOW-UHFFFAOYSA-N 366.505 4.343 0 40 FIAB C[C@@H]1CCc2sc(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)cc2C1 32667759 ZEPLJOOLBNAOAD-WBVHZDCISA-N 372.534 4.423 0 40 FIAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 33156393 XHDYIHURLSJNJB-ZDUSSCGKSA-N 365.882 4.013 0 40 FIAB COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2Cl)cc1 35586179 JRZYMNBWBJRMDC-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2c(F)cccc2F)cc1 36365518 RWBXMBMMQVVXST-CYBMUJFWSA-N 355.344 4.283 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)ccc21 40143193 NMFVKCIZWSTFLO-ZDUSSCGKSA-N 356.853 4.130 0 40 FIAB O=C(c1cc(F)cc(Cl)c1)c1cccc(I)c1 43210054 MSAXZAWQASISRE-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB Fc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1Cl 65705224 ICOHLJNVELPQJB-UHFFFAOYSA-N 368.846 4.077 0 40 FIAB COc1ccc(C2(C(=O)Nc3nnc(C(F)F)s3)CCCCC2)cc1 65744647 ATDULEZWBZNMDQ-UHFFFAOYSA-N 367.421 4.325 0 40 FIAB C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2F)c2ccccc2S1 69194103 IEUFKIYSTOLGNU-OAHLLOKOSA-N 358.482 4.175 0 40 FIAB Cc1ccc(C)c(OC[C@@H](O)Cn2ccn(-c3ccccc3)c2=S)c1 70040673 WPNCSEWTONXKHE-SFHVURJKSA-N 354.475 4.065 0 40 FIAB CCOC(=O)N1CCC(NC(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 72041300 DYCZQVLKHKAADD-UHFFFAOYSA-N 374.268 4.044 0 40 FIAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72349144 KDCOFHALEWBGBG-LJQANCHMSA-N 373.456 4.172 0 40 FIAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2Cc2cccnc2)n1 72354669 YYILGALBTFFQKU-SFHVURJKSA-N 365.868 4.111 0 40 FIAB CCC[C@@H]1SCCN1C(=O)c1c(Br)c2ccccc2n1C 76017303 SMTRMUGCXUILDB-ZDUSSCGKSA-N 367.312 4.256 0 40 FIAB Cc1c([C@@H](C)NC(=O)/C=C/c2ccsc2)cnn1-c1ccc(F)cc1 84044851 LUQJGMWEMBECPE-ZHAHRWAOSA-N 355.438 4.272 0 40 FIAB O=c1c(Cl)c(N[C@H]2CCCc3ccccc32)cnn1Cc1ccccc1 84544513 OVVBZGHCIUANFV-SFHVURJKSA-N 365.864 4.435 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCCc2ccc(OC(C)C)cc2)c1 218950973 BFJDVQXYXFZOBL-UHFFFAOYSA-N 355.478 4.218 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)c1 219078922 WZCTUQOBNXFGKA-IBGZPJMESA-N 366.505 4.030 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccccc2OC)cc1 224614983 ZISWZMVPUUVQDU-IBGZPJMESA-N 371.477 4.000 0 40 FIAB O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1CN1CCCCC1 224851058 UHRBUOPNWMUIHS-UHFFFAOYSA-N 374.887 4.324 0 40 FIAB CC(C)Sc1nnc(NC(=O)COc2ccccc2C(C)C)s1 225314395 UYTMTSIJOHGFQI-UHFFFAOYSA-N 351.497 4.180 0 40 FIAB O=C(/C=C/c1cccs1)N1CCC(Oc2cccc3cccnc23)CC1 225705168 AEFDVDMXCJLQMC-CMDGGOBGSA-N 364.470 4.380 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 225788495 QKTZDAQRXURQMF-ZDUSSCGKSA-N 365.524 4.309 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225799638 CXMBQKPAGHBKKW-JLTOFOAXSA-N 365.470 4.184 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2F)cc1Cl 225836001 IDMIUNYXFGINRX-UHFFFAOYSA-N 366.845 4.142 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1C[C@H](C)C[C@@H](C)C1 226330486 UMQCAEVTXHHGNO-ZIAGYGMSSA-N 355.457 4.451 0 40 FIAB O=C(/C=C/c1cccs1)Nc1ccccc1-c1cn2c(n1)SCC2 253472482 MPWVZGZSEBJOGN-BQYQJAHWSA-N 353.472 4.369 0 40 FIAB COc1ccc(C(=O)Sc2nnc(-c3ccccc3Cl)o2)c(O)c1 408589018 XWYXJCUKNAWKAR-UHFFFAOYSA-N 362.794 4.037 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21)c1ccccc1 409372275 PZLGKOHUCVGTQQ-CZAYHTPWSA-N 355.437 4.390 0 40 FIAB O=C(N[C@@H]1CCOc2c(-c3ccccc3)cccc21)c1n[nH]c2ccccc12 505142029 ZWXKRGDKIPPKEO-LJQANCHMSA-N 369.424 4.484 0 40 FIAB O=C(c1ccc(Cl)cc1)C1CCN([C@H](C(=O)O)c2ccccc2)CC1 563278511 XDINJPLSDDXCJR-SFHVURJKSA-N 357.837 4.061 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Oc2ccc(Cl)cc2)cn1 572835951 PMZLIEXSIGKDLX-XGWLTEMNSA-N 358.825 4.423 0 40 FIAB C[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc2ccccc2[nH]1 1529693937 QXCKVKKMHJJNLG-NSHDSACASA-N 363.339 4.279 0 40 FIAB O=C(NCC1(C2CCCCC2)CCCCC1)[C@@H]1CC(c2cccnc2)=NO1 1583931756 SKCFXWGOCNNXEE-FQEVSTJZSA-N 369.509 4.222 0 40 FIAB O=S(=O)(NCCCc1ccccc1)c1sc2ccccc2c1Cl 1653307544 DHZMMQWRGAPMAL-UHFFFAOYSA-N 365.907 4.466 0 40 FIAB Cc1cc(OC[C@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)ccn1 1776001319 LNNXOILSGDQCER-AWEZNQCLSA-N 351.372 4.099 0 40 FIAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2Cc2sccc2C)n1 1848353170 DDMCVIPYHQETES-MRXNPFEDSA-N 353.495 4.272 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)c1 805411 DXOOTXGIKJORQB-UHFFFAOYSA-N 368.296 4.484 0 40 FIAB O=C1C(Cl)=C(Nc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 944180 VKPNZOPGHGQCEA-UHFFFAOYSA-N 367.619 4.429 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@@H](C)C2 1465671 XEBZISJNRUTMLN-LXSSAFMLSA-N 361.488 4.373 0 40 FIAB COc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2262727 DFIXEBCRTWZYRY-UHFFFAOYSA-N 357.479 4.298 0 40 FIAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2368486 RJTNCDOUERVZFM-SBUREZEXSA-N 353.786 4.037 0 40 FIAB CC(C)Oc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)NC2=O 3180030 IUOZNMJFWOGBEM-KRWDZBQOSA-N 351.324 4.011 0 40 FIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)NCC(C)C 3292402 SGHTZIOPEJPKSP-CQSZACIVSA-N 374.506 4.164 0 40 FIAB Cc1ccc(CNC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 3371178 POSLRBVYPMQETE-UHFFFAOYSA-N 373.452 4.064 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1Cl 3475049 DKGCKGOHJVSTPP-UHFFFAOYSA-N 351.840 4.182 0 40 FIAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCO2 3503899 WPQMQABWJUHRON-JTQLQIEISA-N 358.444 4.144 0 40 FIAB CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(CC)ccc21 4193389 BVPSEOOKHHFQJT-UHFFFAOYSA-N 369.486 4.115 0 40 FIAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1 4359563 KMFMVLAICSFCQE-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB COC(=O)[C@H](C)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586196 MCIIEFAEEXKORM-LBPRGKRZSA-N 364.353 4.147 0 40 FIAB biogenic Cn1c(-c2ccc(Br)cc2)cnc1NC(=O)c1ccc(F)cc1 4678154 WGVFWBVAJHAHNP-UHFFFAOYSA-N 374.213 4.241 0 40 FIAB Cc1nn(C)c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc(C3CC3)c12 4744923 XDSJPQRNQOTPSS-UHFFFAOYSA-N 374.366 4.425 0 40 FIAB O=C(CNCc1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 4749985 HFJDYQNFJZTOBV-UHFFFAOYSA-N 371.893 4.116 0 40 FIAB CC[C@@H](C)Oc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC 5000790 PNIXBHRQTHXJLK-HLVNSREUSA-N 357.431 4.279 0 40 FIAB Cc1cccc(C)c1-n1nnnc1SCCCC(=O)c1cccs1 5169382 JSQRPGPZPWQMBO-UHFFFAOYSA-N 358.492 4.096 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)c3ccc(OC)cc3)n2)cc1 5180141 NWYOXOGFDBAIJH-CYBMUJFWSA-N 367.474 4.406 0 40 FIAB O=C(NCc1ccc(Br)cc1)c1ccc(Br)cc1 5513504 SXGMTNJYLHLMHJ-UHFFFAOYSA-N 369.056 4.142 0 40 FIAB COc1cc(C)c(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1OC 5616911 FOWHFFAJHKXGPS-UHFFFAOYSA-N 355.312 4.163 0 40 FIAB COc1ccc(OC)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 6952210 KYVXOZYVRAFWBI-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB COc1ccc(C)cc1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 7083715 JVSRKVKDYQJPCM-AWEZNQCLSA-N 351.402 4.222 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1 7308016 LBIWVCJZDGEEIR-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB Cc1ccc(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 7318992 HPDJVKMSQSQWQS-UHFFFAOYSA-N 371.440 4.152 0 40 FIAB C[C@@H](OC(=O)Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl 7562332 OYXPGZCFAZOCFN-SNVBAGLBSA-N 370.207 4.245 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(Br)cc2F)N1C1CC1 7886151 OXEJENQOAKRHAJ-INIZCTEOSA-N 361.214 4.317 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)c1cc2c(s1)CCCCC2 8134930 DUKKKUJPTILSAQ-UHFFFAOYSA-N 353.491 4.105 0 40 FIAB COc1ccccc1N1C(=O)S[C@@H](Cc2ccc(SC)cc2)C1=O 8169262 YKOXKZLNAQTKHG-INIZCTEOSA-N 359.472 4.228 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 8216807 GDGSTSMNGQITRB-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CC(=O)CCSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 8401460 SFORTGZPSCTZTF-UHFFFAOYSA-N 355.438 4.453 0 40 FIAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1cccnc1 8467807 YINHBWZOXAGBPI-UHFFFAOYSA-N 355.825 4.380 0 40 FIAB FC(F)n1ccnc1CSc1nnc(NCc2ccccc2)s1 8706464 YYKVCAIPNOSBEQ-UHFFFAOYSA-N 353.423 4.034 0 40 FIAB Cc1ccc(C)c(OCc2nn3c(Cc4ccccc4F)nnc3s2)c1 8715040 FPBROXZWQXRSTP-UHFFFAOYSA-N 368.437 4.112 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCCC2)cc1 10324425 NZHLHEXAWBMLEF-UHFFFAOYSA-N 359.267 4.297 0 40 FIAB COc1ccc(NC(=O)c2occc2COc2ccccc2)c(OC)c1 11462048 MXKZJPFFDYQHNV-UHFFFAOYSA-N 353.374 4.128 0 40 FIAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 11692672 JXBQLTPHIHFKLJ-LJQANCHMSA-N 364.836 4.371 0 40 FIAB c1csc(-c2cnc(NCCCn3ccnc3)nc2-c2nccs2)c1 12221852 MNKQBYHUMVNKHT-UHFFFAOYSA-N 368.491 4.027 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1C(C)C 12798076 NYIRAMSWNRHUJI-UHFFFAOYSA-N 366.461 4.028 0 40 FIAB CC(C)c1noc([C@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)n1 12895487 KHYMEFOVNCLRLX-LAHYYIKRSA-N 359.430 4.474 0 40 FIAB COc1ccc2nc(O)c(CN(C(=O)C(C)C)c3ccccc3C)cc2c1 13479901 HYDUYZJBDKTXGV-UHFFFAOYSA-N 364.445 4.447 0 40 FIAB CC(C)C(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 13764650 LRRQUJXTVKRTKX-XEWABKELSA-N 352.478 4.013 0 40 FIAB Cc1ccc(CNS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 13937898 YKHHQYWJTHDPIZ-UHFFFAOYSA-N 364.681 4.434 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14001689 ODSYMLNLPNEFAE-GOSISDBHSA-N 368.477 4.319 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1F 14701550 TYKXQZALWZAURW-LLVKDONJSA-N 367.852 4.140 0 40 FIAB Clc1cccc(N2C=Nn3c(nnc3SCc3ccccc3)C2)c1 19897470 IMNLJNWSZMBSJQ-UHFFFAOYSA-N 355.854 4.035 0 40 FIAB O=C(COc1ccccc1Cl)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144555 GNITXAOMXHYVRQ-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB Cc1ccc2oc(C(=O)Nc3ccc4nc(C)sc4c3)cc(=O)c2c1 22894179 HCGZZSSJWZWOQB-UHFFFAOYSA-N 350.399 4.272 0 40 FIAB CN(C)c1ccc(CCCNC(=O)COc2ccc3ccccc3c2)cc1 23001782 WZYQENTXSJLEOS-UHFFFAOYSA-N 362.473 4.034 0 40 FIAB O[C@@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1 25225964 CRJSZBITQABXIC-KRWDZBQOSA-N 355.438 4.169 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cnn(Cc2ccccc2)c1 28224890 ZHCNVFXPQWSJLV-OAHLLOKOSA-N 369.852 4.299 0 40 FIAB Cc1cccc(NC(=O)CN(C)c2ncnc3c2oc2ccccc23)c1C 30684254 JXZOKGXSONTJKG-UHFFFAOYSA-N 360.417 4.068 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 30848474 LCYMAPLKXOQNRT-UXHICEINSA-N 357.450 4.129 0 40 FIAB CC(=O)N[C@H](C)c1ccc(C(=O)COc2cccc(C(F)(F)F)c2)cc1 31679955 SLIOGWRTINQQNO-GFCCVEGCSA-N 365.351 4.164 0 40 FIAB O=C(Cn1ccc2ccc(F)cc21)Nc1ccc(OC(F)(F)F)cc1 32070396 FQSJROKCLHOVKX-UHFFFAOYSA-N 352.287 4.318 0 40 FIAB O=C(CCCc1nnc(-c2ccccc2)o1)N[C@H]1CCCc2ccccc21 32476792 VHYOQQFGLFVLKJ-IBGZPJMESA-N 361.445 4.253 0 40 FIAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccncc1 32900331 RMVBNZDSVBPCGH-MRXNPFEDSA-N 359.429 4.167 0 40 FIAB O=C(Nc1cc(Cl)cc2cccnc12)[C@@H]1CC(c2cccc(F)c2)=NO1 33166516 SOCKPRHDXKSMOY-KRWDZBQOSA-N 369.783 4.159 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289359 GOMUZFPNMKRVJR-IBGZPJMESA-N 351.450 4.192 0 40 FIAB CCCCn1nc(C)c(/C=C/C(=O)NCCc2cccs2)c1Cl 36333464 DGKPPXGZTAPQCE-BQYQJAHWSA-N 351.903 4.079 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)cc1OC 40067070 BLOAWBJDLRBEDT-ROUUACIJSA-N 361.869 4.228 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSCC(=O)N1CCc2ccccc21 40161370 CRVQUJYYUNWWPE-UHFFFAOYSA-N 369.486 4.110 0 40 FIAB COc1ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 44949155 BKCVMAGDUQRLSV-IIBYNOLFSA-N 371.477 4.375 0 40 FIAB O=C(Nc1ccccc1)NC1CCN(Cc2nc3ccccc3s2)CC1 55030922 LXNOUECUCSCWRN-UHFFFAOYSA-N 366.490 4.082 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)c(C)n1C1CC1 64836075 INKGBSURASVEDG-HOTGVXAUSA-N 367.493 4.306 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)NCc2c(C)noc2C)cc1 71826965 NKWREYGKPAUAEQ-IBGZPJMESA-N 357.454 4.127 0 40 FIAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN1Cc1ccc(F)cc1 72359238 VDUNHAFDDOEFLF-GOSISDBHSA-N 365.456 4.262 0 40 FIAB COc1ccccc1CN1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 72390084 XZLYCPOVDSDBCS-OAHLLOKOSA-N 355.463 4.186 0 40 FIAB CCc1cc(N)cc2nc(-c3cccc(I)c3)oc12 73642590 KNVBPQLQWBBEEM-UHFFFAOYSA-N 364.186 4.244 0 40 FIAB CC(C)CCN1C[C@@]2(CCCN(c3nc4ccccc4o3)C2)CCC1=O 82160711 GAUWOXZSEKVDHR-OAQYLSRUSA-N 355.482 4.083 0 40 FIAB Cc1cccc(NC(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 95462290 DNKFZGHDZWPDHK-WBVHZDCISA-N 361.486 4.295 0 40 FIAB Cc1nnc(-c2ccccc2NC(=O)c2nc(-c3cccs3)oc2C)o1 95949685 HEIGAEQTPDNONJ-UHFFFAOYSA-N 366.402 4.322 0 40 FIAB C[C@H]1C[C@H]1C(=O)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242454 BKFQWENQZBTOIE-GHTZIAJQSA-N 366.549 4.209 0 40 FIAB O=C(Nc1cccc2ccccc12)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102831727 XRHUCSLLVCMLJM-TWVWUCKLSA-N 372.472 4.366 0 40 FIAB Cn1nccc1C1CCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CC1 129872204 JFGOIUCBXZSYTA-UHFFFAOYSA-N 373.456 4.268 0 40 FIAB CCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2cc(Cl)ccc21 181824384 MFILCPYLLGNXSU-ZDUSSCGKSA-N 354.837 4.166 0 40 FIAB Cc1cc(OCC(=O)NCCSCc2ccccc2C)ccc1Cl 218937139 ZYLNAOYKHJTSJP-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219324109 MBHWWEDQDBHETJ-DNVCBOLYSA-N 361.869 4.390 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)COc1ccccc1C 219367158 ADTSVAUWKICGOU-HKUYNNGSSA-N 355.478 4.353 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1C 223794519 AGFWGWJCQVELEL-SFHVURJKSA-N 355.478 4.389 0 40 FIAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 224410255 LSLQGGZNYHOOHJ-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225754861 OSSFYCOBDAEISC-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257344555 ZXUFRBPXLPFHSF-IBGZPJMESA-N 365.408 4.167 0 40 FIAB Cc1cnc(N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1C 301865134 GZKVZCYYPWTJDL-OAHLLOKOSA-N 369.856 4.181 0 40 FIAB Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)cc1 306139677 TXKJXCNCDKFHCH-OAQYLSRUSA-N 365.502 4.095 0 40 FIAB O=C(NC1(c2cccs2)CCOCC1)c1ccc(OC(F)(F)F)cc1 390827720 JKYRAFMBYSDGPP-UHFFFAOYSA-N 371.380 4.082 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)cccc1CC 408557429 MRWGHFGHQUDPBB-UHFFFAOYSA-N 353.871 4.410 0 40 FIAB CCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1 409008714 BHSPACVIFXAIRL-WJDWOHSUSA-N 372.218 4.192 0 40 FIAB COc1ccccc1/C=C/C(=O)NCCSCc1cccc(Cl)c1 409024658 MLLOKFKSUHPTBV-MDZDMXLPSA-N 361.894 4.411 0 40 FIAB O=C(O)c1conc1[C@H](O[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1 504028131 AWNLIDOSPILLRX-DZGCQCFKSA-N 371.311 4.024 0 40 FIAB CCOc1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)c(F)c1 569113452 FZEVIZBYMIJIDD-SFHVURJKSA-N 362.445 4.037 0 40 FIAB C[C@H](Oc1cccnc1NC(=O)NC[C@@H]1CCOC1(C)C)c1ccccc1 666744274 VQNYTVSYOHEHBZ-RDJZCZTQSA-N 369.465 4.158 0 40 FIAB O=Cc1nc(Br)c(-c2cc(OC(F)(F)F)ccc2Cl)[nH]1 1857794898 SOOSDIVUNKDGIF-UHFFFAOYSA-N 369.524 4.204 0 40 FIAB O=C(CSC1CCCC1)NC[C@H](O)c1ccc(-c2ccsc2)s1 1888914763 XWVFQUNJHJTCDC-AWEZNQCLSA-N 367.561 4.302 0 40 FIAB c1ccc(CCN2CCC[C@H](c3ccnc(Nc4nccs4)n3)C2)cc1 2037834739 JIKARUNEQMODPB-KRWDZBQOSA-N 365.506 4.099 0 40 FIAB Nc1nc2n(n1)[C@@H](c1cccc3ccccc13)C[C@@H](c1ccc(F)cc1)N2 803143 RVIOFLYRWVPIOP-RBUKOAKNSA-N 359.408 4.299 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1cccs1 908030 VLAUJPURFXXAAX-UHFFFAOYSA-N 365.410 4.290 0 40 FIAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)c1 1342210 PAUAXUSKRYJXEO-UHFFFAOYSA-N 370.518 4.461 0 40 FIAB COc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)c1 1377828 PNHRWTJZXCMWGX-ROUUACIJSA-N 370.518 4.072 0 40 FIAB C[C@]12C[C@@H](NC(=O)N1c1ccc(Br)cc1)c1ccccc1O2 2601934 MUNYKKGQXDJTRI-PBHICJAKSA-N 359.223 4.219 0 40 FIAB Cc1ccc(NC(=O)c2nc(C)n(-c3cc(Cl)ccc3Cl)n2)cc1 3111159 AFKQZMITGUPLPU-UHFFFAOYSA-N 361.232 4.443 0 40 FIAB CC(C)(C)c1cc(C(=O)OCC(=O)N2CCCCC2)cc(C(C)(C)C)c1 3215497 HKGFUMMZNYOAKN-UHFFFAOYSA-N 359.510 4.451 0 40 FIAB COc1cc(C)ccc1OCC(=O)Nc1nc(-c2ccc(C)o2)cs1 3340353 SQRGDWLZLPHWLQ-UHFFFAOYSA-N 358.419 4.046 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc2ccccn12 3504386 WRRUGHPCBNPRSH-KBPBESRZSA-N 354.479 4.362 0 40 FIAB Cc1ccc(CSC2=NCCN2C(=O)c2cc3ccccc3o2)cc1 4120418 AULJFDBANDEURZ-UHFFFAOYSA-N 350.443 4.486 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1F 4305472 XEAILEZWBJOISP-LJQANCHMSA-N 366.461 4.421 0 40 FIAB COc1ccccc1-c1ccc(SCC(=O)Nc2ccc(F)cc2)nn1 4356163 KSKWSPRNPMXQML-UHFFFAOYSA-N 369.421 4.022 0 40 FIAB COc1ccccc1OCc1nn2c(-c3ccc(Cl)cc3)nnc2s1 4511678 QXISVKSYKCIRCD-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1sccc1C 4626080 LFMSUYZLHIVWQX-INIZCTEOSA-N 353.447 4.258 0 40 FIAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(C(C)C)C3=O)o2)cc1 4695983 GNEZMIXTEBBFEP-MHWRWJLKSA-N 371.414 4.178 0 40 FIAB COc1ccccc1-n1cnnc1SCCOc1ccccc1Cl 4894904 GYWNAECRJJLAKH-UHFFFAOYSA-N 361.854 4.100 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c1 5268385 IFCJHZPIQXTBIM-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 5292808 YBRITWYYDUKMEX-INIZCTEOSA-N 356.491 4.289 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)n[nH]2)c(O)c1C 5343843 XFTBZWKAKFFDMW-UHFFFAOYSA-N 373.359 4.253 0 40 FIAB CC(C)c1ccc(O)c(NC(=O)COc2ccc(Br)cc2)c1 5614042 KRLBMTIXDVEUHJ-UHFFFAOYSA-N 364.239 4.296 0 40 FIAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1F 6128913 OPAMIJXQLNAWCB-UHFFFAOYSA-N 368.437 4.015 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)oc2c1 6305035 GNHTXVIXSORVLJ-UHFFFAOYSA-N 364.188 4.345 0 40 FIAB NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCCC2 6336241 DVXBLHUCHLXWRJ-UHFFFAOYSA-N 362.882 4.412 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(F)c3)cs2)c1 6541078 FEOVROAHTIPRSY-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2ncccn2)c2ccccc2)c1 6910904 AILWJHJKANAXNS-SFHVURJKSA-N 363.442 4.151 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2csc(-c3ccccc3)n2)c1 7162362 VNFLFMXNSSDVKU-CQSZACIVSA-N 366.442 4.303 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)cc(Cl)c1OCC 7601407 FAGLHLDMSOOHGW-UHFFFAOYSA-N 361.298 4.342 0 40 FIAB COc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 7686142 ALKXEQXTPIUXRG-HSZRJFAPSA-N 361.441 4.288 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8041311 YOZZLOAGWPBXJL-IRXDYDNUSA-N 368.477 4.238 0 40 FIAB CCc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1 8062714 UAZOQPKZNZOPOQ-FQEVSTJZSA-N 371.477 4.402 0 40 FIAB COc1ccc(Nc2nc(-c3cc(C)n(-c4nnc[nH]4)c3C)cs2)cc1 8156671 BQNOEBPVNYNEHL-UHFFFAOYSA-N 366.450 4.088 0 40 FIAB O=C(Oc1c(Cc2ccccc2)c(=O)[nH]c2ccccc12)c1ccccc1 8651662 SRPWLNRWWGAEEP-UHFFFAOYSA-N 355.393 4.338 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)c(Br)c1 8754823 FYRYTDRULQRQBH-UHFFFAOYSA-N 364.214 4.498 0 40 FIAB O=C(OCc1ccco1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O 8844307 HWBIIGTVAKWLDE-UHFFFAOYSA-N 372.380 4.054 0 40 FIAB Cc1nc2c(=O)n(CCc3ccccc3)nc(-c3cccs3)c2s1 8956054 ZZLWXFXQTNSJPG-UHFFFAOYSA-N 353.472 4.133 0 40 FIAB COc1ccc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)cc1Cl 9194360 FIPVMNAYAGGKSK-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB CCOc1ccccc1NCC(=O)Nc1ccc(C)c(Br)c1 9314454 FILPJFVJGULLGP-UHFFFAOYSA-N 363.255 4.207 0 40 FIAB Cc1c(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)oc2ccccc12 9335946 NEVLBNOMOYAGQQ-GOSISDBHSA-N 363.392 4.133 0 40 FIAB CCCC(=O)Nc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1 10032734 OTAPZAYVVMHSGA-UHFFFAOYSA-N 355.419 4.394 0 40 FIAB Cc1ccccc1CNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10042962 APRJPPOBQNETKR-UHFFFAOYSA-N 372.472 4.057 0 40 FIAB Cc1c(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc2ccccc12 10969339 KSCSQHGPIOPAQA-ZDUSSCGKSA-N 373.499 4.104 0 40 FIAB O=C(CNc1ccccc1Br)Nc1ccc(F)c(Cl)c1 11621076 WHSSISOPKCHICS-UHFFFAOYSA-N 357.610 4.292 0 40 FIAB Cc1cccc(Cn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667291 QGOTXZTUXQLAIC-INIZCTEOSA-N 359.429 4.477 0 40 FIAB O=C(O)COc1ccc(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)cc1 12228140 DOKGDVYLTXZFGH-NRFANRHFSA-N 365.473 4.310 0 40 FIAB COc1c(C)cccc1CN1[C@H]2CC[C@@H]1CC(O)(c1cccc(F)c1)C2 12293190 RMRYLCUBISVXIB-RLAPIPATSA-N 355.453 4.157 0 40 FIAB Cn1ccnc1[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 12541300 GODKRZWLOAQKEI-WWFGTJDESA-N 363.505 4.232 0 40 FIAB CCN(c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)C(C)C 12586823 KTDSCASDKDDDEA-UHFFFAOYSA-N 372.465 4.199 0 40 FIAB CSCc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12648259 CJWQZNVZKGGFLF-OAHLLOKOSA-N 351.475 4.226 0 40 FIAB OC[C@H](CNc1ncnc2sc(-c3ccccc3)cc12)Cc1ccco1 12794672 NLFUTDJBRLKGSZ-AWEZNQCLSA-N 365.458 4.214 0 40 FIAB CC(C)C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12821318 UMXANRNAABMBOG-OAQYLSRUSA-N 364.489 4.260 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCO[C@H](c2ccccc2)C1 12853478 HBLILPPGXMQVIY-SFHVURJKSA-N 359.853 4.098 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3cc(F)c(Cl)cc3Cl)ccc21 12927879 GARXUQCHYAOQIN-UHFFFAOYSA-N 367.207 4.294 0 40 FIAB CCCC[C@](O)(c1ccc2[nH]c(NC(=O)OC)nc2c1)c1cccs1 13212463 UNQYKYUWZCVVDW-SFHVURJKSA-N 359.451 4.229 0 40 FIAB Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1NC(=O)c1ccco1 14094108 PSGDIJXIUYHULS-MRXNPFEDSA-N 362.429 4.374 0 40 FIAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccs1 14123900 FHYMXDVHBCQHKL-AWEZNQCLSA-N 372.490 4.469 0 40 FIAB CN(CCOc1ccc(Cl)cc1)C(=O)CCc1c[nH]c2ccccc12 15990695 UJKGUVCHAVLAJW-UHFFFAOYSA-N 356.853 4.291 0 40 FIAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC 16643141 VDPVVZIYAVOCGZ-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(F)cc2c1OCOC2 16661021 LHRKOJWPKVLFGX-UHFFFAOYSA-N 369.348 4.013 0 40 FIAB CCc1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cn1 19523474 NNYLJVOJAMVVOP-WKDRNLAYSA-N 351.494 4.110 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)c2ccccc2F)c1C 19557894 OCRBFVPZJNYACS-KRWDZBQOSA-N 368.412 4.188 0 40 FIAB CC(C)c1ccc2c(c1)C(N1CCN(C)CC1)=Cc1cccnc1S2 19802357 XCPDJBQBNZEIHG-UHFFFAOYSA-N 351.519 4.415 0 40 FIAB O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1ccc2ccccc2c1 19854882 DOCZDLBAJKTUQX-UHFFFAOYSA-N 366.467 4.332 0 40 FIAB Cc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)cc3)CCCC2)cc1 20096588 DPWRVYGNJDWSNY-UHFFFAOYSA-N 364.489 4.282 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)NCCOc1ccc(Cl)cc1 21904883 SVRKOJKKUUMZCF-UHFFFAOYSA-N 372.877 4.201 0 40 FIAB COc1cc(OC)cc(-c2nnc(SCc3ccc(Cl)nc3)o2)c1 22284650 MEICWSMSDNTQLK-UHFFFAOYSA-N 363.826 4.095 0 40 FIAB C[C@H](NC(=O)c1cccnc1OCC(F)(F)F)c1cc2ccccc2o1 23114394 VLHAEVMXQZUSNA-NSHDSACASA-N 364.323 4.260 0 40 FIAB CC(=O)c1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1 24865853 YZNBVPRRBLDFGG-UHFFFAOYSA-N 370.405 4.316 0 40 FIAB CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 25287922 YXELANDFHZJOHR-UHFFFAOYSA-N 370.452 4.488 0 40 FIAB CCCCCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1 25514299 FALYKXCKSBMATF-GOSISDBHSA-N 354.450 4.256 0 40 FIAB Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)[C@H](Br)CC3)cc1 26919678 UMKJGTHIYYFKJS-GFCCVEGCSA-N 362.223 4.041 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(SC)ccc1C 27390275 UUYSGVDMHUBICC-CQSZACIVSA-N 356.491 4.498 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCCn1ccc2ccccc21 32676154 WEKFMQZMUUGNLT-UHFFFAOYSA-N 374.484 4.299 0 40 FIAB Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)n(C2CC2)c1C 32894104 UTHCBRIZFRVSBB-SFHVURJKSA-N 355.507 4.121 0 40 FIAB O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289584 ZQQGMRYAYHADMW-INIZCTEOSA-N 361.804 4.114 0 40 FIAB O=C(c1ccccc1)N1CCN(Cc2csc(C3CCCCC3)n2)CC1 36394745 JRXJAXIIUBMHIT-UHFFFAOYSA-N 369.534 4.149 0 40 FIAB CN(Cc1ccccc1Br)C(=O)Nc1cc(F)cc(F)c1 40104318 NUUKLVAXRQKMOJ-UHFFFAOYSA-N 355.182 4.391 0 40 FIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N(C)Cc3ccccn3)c(C)c12 40157486 OXHAEAMZHXHYTR-UHFFFAOYSA-N 368.506 4.273 0 40 FIAB O=C(/C=C/c1cccs1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 49509570 SOZRAFUUCRDJEW-MDZDMXLPSA-N 366.486 4.479 0 40 FIAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccc(C)c1 49536364 ACZYKKMEYHDSIM-DOTOQJQBSA-N 372.538 4.060 0 40 FIAB CN(Cc1c(F)cccc1Cl)c1cnn(C(C)(C)C)c(=O)c1Cl 58144406 QWFZSYDFFJZIKC-UHFFFAOYSA-N 358.244 4.081 0 40 FIAB CCc1nc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)cs1 58168806 WKNUVZLNEDJAGA-UHFFFAOYSA-N 369.465 4.387 0 40 FIAB O=c1cc(CNc2ccccc2Oc2cccc(F)c2)nc2ccccn12 58393529 VOIBLABWMRJUBC-UHFFFAOYSA-N 361.376 4.238 0 40 FIAB CCc1noc(C)c1C(=O)N(CC)Cc1ccc(Br)s1 60642721 PWSQLKNXKHPOER-UHFFFAOYSA-N 357.273 4.032 0 40 FIAB CC(=O)O[C@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@@H]1OC(C)=O 72320220 FUSHLLXGTXLRMJ-LRSLUSHPSA-N 352.430 4.211 0 40 FIAB biogenic,in-vitro Cc1ccccc1OCCCN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 72369842 WPNXCZUFVJOKTE-LJQANCHMSA-N 363.461 4.303 0 40 FIAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2C(=O)CC(C)C)n1 72383727 SFSXUYGSQPELSV-QGZVFWFLSA-N 353.470 4.023 0 40 FIAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccc2c(c1)OCO2)C(=O)O3 72396331 USBCBLICDCKKCS-UHFFFAOYSA-N 362.385 4.095 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C[S@@](=O)c2ccc(Cl)cc2)CC1 72411069 ACYDHZUPFGKUOG-QHCPKHFHSA-N 357.903 4.095 0 40 FIAB CCc1ccc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)s1 84369520 PJTXTGZOTJWKHH-KRWDZBQOSA-N 355.459 4.280 0 40 FIAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)c1 89941784 RRMMJWCNFXNKMN-MOPGFXCFSA-N 360.498 4.139 0 40 FIAB Cc1n[nH]c(=S)n1-c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 95448362 FYJNXBUJLWHJQN-UHFFFAOYSA-N 364.474 4.299 0 40 FIAB Cc1cc(COC(=O)C[C@@H]2OCCc3ccsc32)c2ccccc2n1 95960387 WDQQLIHTOGISPH-SFHVURJKSA-N 353.443 4.352 0 40 FIAB Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4sccc4C)C3)C2)o1 96215928 RJDOQJFUXJEGNM-HXUWFJFHSA-N 358.507 4.086 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@H](c2ccc(F)cc2)C1 102656408 ZXCVVLKODHJKBJ-YWZLYKJASA-N 360.392 4.482 0 40 FIAB COc1cc(-c2nc(S)c(-c3ccc(F)cc3)[nH]2)cc(OC)c1OC 102922305 DRMHCITWCHICLD-UHFFFAOYSA-N 360.410 4.197 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 222970009 CJXUGZKAGHCOAK-AZUAARDMSA-N 355.478 4.353 0 40 FIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1C 224274441 XJMLBTGNWIPXGB-VQTJNVASSA-N 362.502 4.214 0 40 FIAB Cc1ccc(N(C)CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224992457 XXEASYKNTOVYLN-UHFFFAOYSA-N 360.885 4.058 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(OC)c(C)c1)CC(C)(C)O2 225281125 LOTGRQMWHUOOKL-QGZVFWFLSA-N 355.434 4.044 0 40 FIAB COc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1 408806019 DTOAAWHJJJIFLS-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(F)cc2)cc1 408844526 UBPTXOHWZLAGBO-XSFVSMFZSA-N 373.387 4.064 0 40 FIAB CCn1cc([C@H]2CSCCN2C(=O)C[C@H]2CCCc3ccccc32)cn1 683360709 KTWUUFVMXSEZSU-YLJYHZDGSA-N 369.534 4.030 0 40 FIAB COc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)cn1 1525472083 MKHWMZGVIKYBPL-WOJBJXKFSA-N 352.478 4.208 0 40 FIAB Cn1c([C@H]2CCCN2C(=O)CCCCCn2cccc2)nc2ccccc21 1615152303 XWRKULQRKMEXOG-HXUWFJFHSA-N 364.493 4.299 0 40 FIAB COC(=O)c1cc2c(-c3ccccc3)cc3ccccn3c-2c1C(=O)OC 643151 OTSFNRKLYUCFOU-UHFFFAOYSA-N 359.381 4.284 0 40 FIAB COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 984346 NBLGDQOVNUSYKN-GOSISDBHSA-N 373.250 4.155 0 40 FIAB CCc1cc(I)ccc1NC(=O)Cc1ccccc1 1312411 PHGMARIXFVTNEL-UHFFFAOYSA-N 365.214 4.035 0 40 FIAB CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@H](C1)N2CC(C)C 1369456 HNPUALMQCXXDTF-QZTJIDSGSA-N 359.514 4.248 0 40 FIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1OC 1934669 UDMMXQVMJMYEQA-YRNVUSSQSA-N 371.433 4.153 0 40 FIAB CSc1ccc(C(=O)c2ccc(I)cc2)cc1 2392627 MPZJZWSFUJGBSO-UHFFFAOYSA-N 354.212 4.244 0 40 FIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2620618 XQPNZULGXQAXBB-GFCCVEGCSA-N 368.414 4.137 0 40 FIAB O=C(CSc1nnc(Nc2ccccc2)s1)NCC1CCCCC1 2644239 ZOPHJISJVPJLIC-UHFFFAOYSA-N 362.524 4.070 0 40 FIAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2cc1O 3173465 AMDYJXGAAFLYAE-UHFFFAOYSA-N 353.246 4.493 0 40 FIAB Cc1cc(C)c(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)cc1C 3322830 JSMWBRJLUCNQKE-UHFFFAOYSA-N 372.881 4.216 0 40 FIAB CCOc1ncccc1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3331767 HGCYBXOGEQCNAB-UHFFFAOYSA-N 373.408 4.091 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)CCC1CCCC1 3361677 YLUHBUJHAAMJHO-UHFFFAOYSA-N 353.846 4.109 0 40 FIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3OC)nc1-2 3651710 FISNNFXNELVVSH-UHFFFAOYSA-N 366.442 4.178 0 40 FIAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc2c(c1)CCCC2 4348556 WGAXTWKQFAYHSH-UHFFFAOYSA-N 352.415 4.156 0 40 FIAB C[C@H](Oc1ccc(F)cc1)c1nn2c(Cc3ccc(F)cc3)nnc2s1 4667809 NQGVTGNHYBQUPF-NSHDSACASA-N 372.400 4.195 0 40 FIAB CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2cc(Cl)ccc21 4679119 PUIFBLPTXCOSPI-OAQYLSRUSA-N 371.864 4.075 0 40 FIAB CCN(CC)C(=O)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 4708694 GETDSLFXHGIVKB-UHFFFAOYSA-N 368.864 4.394 0 40 FIAB CNC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CCCC2 5055469 JFWOGUNZPAIGAN-UHFFFAOYSA-N 368.502 4.118 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)Cc1ccc(F)cc1 5137086 BTIKNZLAAZOOQI-UHFFFAOYSA-N 372.440 4.298 0 40 FIAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)cc1 5280552 GSLCUZVPPTVDIL-UHFFFAOYSA-N 358.438 4.065 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)C3CCC3)ccc21 5399222 WKJOPEMGYRICCL-AWEZNQCLSA-N 364.445 4.485 0 40 FIAB CCc1ccc(C(O)(C(=O)NCc2ccccc2)c2ccc(CC)cc2)cc1 5470963 SNQAHGYPJWVJHM-UHFFFAOYSA-N 373.496 4.364 0 40 FIAB COc1cc(OC)cc(OCC(=O)Nc2cc(Cl)ccc2Cl)c1 5476698 PPEUSWPTKGIAOH-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB O=C(CSc1nncn1-c1ccccc1)c1cccc(Br)c1 5621993 CUGMKQOCVODAFA-UHFFFAOYSA-N 374.263 4.005 0 40 FIAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N(C)c1ccccc1 5891432 KQOQWDBPXKOPQF-ZDUSSCGKSA-N 372.881 4.064 0 40 FIAB O=C(/C=C/c1cccc(Br)c1)NCCc1c[nH]c2ccccc12 6609781 RASCFABXBXCMBP-CMDGGOBGSA-N 369.262 4.303 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCc2nc(-c3cccs3)no2)c1 6804351 NLTTXOMCYJHGBZ-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB CCOc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCC2)cc1 6870364 GGWRZIQTODAPTE-UHFFFAOYSA-N 366.461 4.366 0 40 FIAB COc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)c(OC)c1 6952377 IPXAEFDBQOYKJY-UHFFFAOYSA-N 371.289 4.497 0 40 FIAB COc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)c(C)s2)cc1 7109560 FWSRRMMFXUOARD-UHFFFAOYSA-N 374.487 4.166 0 40 FIAB C[C@@H](NC(=O)CSc1nc2ccccc2n1C)c1cc2ccccc2o1 7154090 GVTFYQGTKUPTJC-CYBMUJFWSA-N 365.458 4.289 0 40 FIAB COCCNc1oc2c(c1-c1ccc(F)cc1)c(=O)oc1ccccc12 7636146 KCQYHXVHPKRZNY-UHFFFAOYSA-N 353.349 4.404 0 40 FIAB CN(CCCNC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 7689975 LSWDNBACAZEEFC-UHFFFAOYSA-N 351.277 4.179 0 40 FIAB CCOc1cc2c(cc1CNC(=O)[C@@H](CC)c1ccccc1)O[C@@H](C)C2 7814322 JPYUKBUPENVCRC-KXBFYZLASA-N 353.462 4.219 0 40 FIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1Cc2ccccc2O1 8280716 KEJBLUVXZJYTGR-SFHVURJKSA-N 361.426 4.005 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Oc2ccccc2)c1 9053244 CNJGYXMQIZFXKG-UHFFFAOYSA-N 361.397 4.480 0 40 FIAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)n(C)n1 12188135 OYCLTHBPHQOBSA-GOSISDBHSA-N 362.477 4.112 0 40 FIAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCc1ccccc1 12322330 CYWHIJJFJACDGX-SFHVURJKSA-N 354.475 4.029 0 40 FIAB Cc1ccc(C2(CN3CCC[C@H](CN4CCCC4=O)C3)CCCC2)cc1 12364539 UDRNNVQODLEVBW-FQEVSTJZSA-N 354.538 4.141 0 40 FIAB Cc1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1Cl 12543562 FTFHRPAVWWZLKV-UHFFFAOYSA-N 372.900 4.353 0 40 FIAB Cc1cc(C)c(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 12551492 RRHBXRJTFIOKMO-GOSISDBHSA-N 363.461 4.054 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)c3ccccc3)cs2)cc1OC 12766269 PUIOCDWXPZGGTP-UHFFFAOYSA-N 354.431 4.104 0 40 FIAB COc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)cc1 12804255 PNIFDACLVGZHHK-UHFFFAOYSA-N 352.415 4.125 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 12931366 JUCQZLQHRIQOHE-STQMWFEESA-N 371.408 4.239 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)OCc3nc4ccccc4nc3C)cc2)n1 14114503 OUTUVTXDSWMMFQ-UHFFFAOYSA-N 372.428 4.098 0 40 FIAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1 15009858 ZWIKTZZHASNNER-UHFFFAOYSA-N 374.843 4.278 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2F)cs1 17524524 JRBUIYDAGYQIGM-UHFFFAOYSA-N 367.449 4.259 0 40 FIAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1C(C)C 20034365 GOWSYEPFPLQVID-UHFFFAOYSA-N 354.479 4.305 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Cl)sc1Cl 20627405 RUFALCIGAAZFPJ-UHFFFAOYSA-N 374.217 4.457 0 40 FIAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 20883872 LZVIKKOFMORFDW-IOCXFXADSA-N 368.216 4.478 0 40 FIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1OC 21580331 UZECJKBTOYDMFH-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(OC)cc1 21837587 RFSWFVUMDAACRD-HXUWFJFHSA-N 357.450 4.130 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1ccc(F)cc1)C1CC1 22700270 ULKPDXKLUJITRD-UHFFFAOYSA-N 367.449 4.457 0 40 FIAB CCC(=O)c1ccccc1OS(=O)(=O)c1cccc(C(F)(F)F)c1 23994171 YDYDCXRCUMMDFC-UHFFFAOYSA-N 358.337 4.066 0 40 FIAB CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 30940363 ZROKDNQMXSSAEB-GOSISDBHSA-N 370.468 4.464 0 40 FIAB CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(-c2ccccc2F)o1 32719473 NDZCXVGJSRLRRR-CABCVRRESA-N 373.424 4.422 0 40 FIAB O=C(NCc1ccccc1OC(F)(F)F)N[C@@H]1CCc2ccccc21 32843841 CSGRIJIDEKBVFI-OAHLLOKOSA-N 350.340 4.072 0 40 FIAB Cc1sc2ncnc(N3CCC(c4nnc(C(C)(C)C)o4)CC3)c2c1C 32936794 JDDBYTCCBZENFI-UHFFFAOYSA-N 371.510 4.373 0 40 FIAB O=C(Nc1cccc(-n2cccn2)c1)[C@H](c1ccccc1)N1CCCCC1 35322719 NVXHMMZKJUQGDF-NRFANRHFSA-N 360.461 4.038 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C 39548165 DJKNZUKRLHCUGI-RTBURBONSA-N 369.509 4.038 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)N[C@H](c1ccccc1)c1cccs1 40103198 SEQWHRXLPBKMLR-CQSZACIVSA-N 356.476 4.388 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1c(F)cccc1F 43277809 WTVGDPREZZBFBJ-UHFFFAOYSA-N 371.431 4.262 0 40 FIAB O=C(NCCCOc1cccc2cccnc12)c1ccc2ncsc2c1 44227014 OOQBURKRUBHQBP-UHFFFAOYSA-N 363.442 4.043 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1cccc2ccccc12)c1cccs1 45727710 MWSIBXVBWQKNOL-KUHUBIRLSA-N 366.486 4.346 0 40 FIAB CCc1c(Br)c(C)c(Br)c(N)c1Br 45889852 KGIYERSZHSNJQB-UHFFFAOYSA-N 371.898 4.427 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 46894911 TXCOCNZYIQTTOE-UHFFFAOYSA-N 362.216 4.440 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)NC[C@@H]2CCCOC2)cc1C 55920669 JYBGZBMMPWYKQP-INIZCTEOSA-N 356.491 4.006 0 40 FIAB O=C(O)[C@H]1CCCN1c1nc(-c2ccccc2)nc2c1oc1ccccc12 56979749 VZFNXSLYHRQNPS-OAHLLOKOSA-N 359.385 4.096 0 40 FIAB COc1ccc(N(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@H](C)C2CC2)cc1 58171924 LNIBIYZOBQRPAT-XCLFUZPHSA-N 371.864 4.484 0 40 FIAB Cc1cc(-c2csc(NC(=O)Cc3sc(S)nc3C)n2)c(C)o1 58406689 UPXAYLMWLIXBBH-UHFFFAOYSA-N 365.505 4.255 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(F)cc2F)c(Br)c1 59210969 VZGDYGWHFSRSBS-UHFFFAOYSA-N 370.193 4.307 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCCC[C@@H]1c1ncc[nH]1 65585366 QDDLCHMFNIBFAA-CYBMUJFWSA-N 360.487 4.068 0 40 FIAB CCN(CC)Cc1nnc2sc(COc3cc(C)ccc3C(C)C)nn12 67239804 FYDJTMSPBQGBTR-UHFFFAOYSA-N 373.526 4.038 0 40 FIAB COc1ccc(-c2csc(CNC(=O)[C@H]3C[C@H]3c3ccccc3)n2)cc1 72264934 CQXATNFFOYFHBV-ROUUACIJSA-N 364.470 4.239 0 40 FIAB CC(C)OC(=O)[C@@H](C)CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 72300949 YNPRTYMLCKUQKC-LPHOPBHVSA-N 371.502 4.224 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N3CCc4sccc4[C@@H]3C)c2)no1 84281539 NXBQWATZBFWQHW-NSHDSACASA-N 354.435 4.258 0 40 FIAB CC1(C)CN(C(=O)Cc2cnn(-c3ccccc3)c2)C[C@H]1c1ccccc1 84673610 VPHBLQGCQPGRPL-NRFANRHFSA-N 359.473 4.067 0 40 FIAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 95381630 YFQWPNVFECATEP-MOPGFXCFSA-N 369.534 4.176 0 40 FIAB Cn1cncc1CN[C@@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 96241506 GHIXRQLLNGPFOV-HSZRJFAPSA-N 372.516 4.193 0 40 FIAB CCOCCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(F)ccc21 100873466 NWCOLGXUUQMYGO-VPRJXVDDSA-N 370.449 4.019 0 40 FIAB CC(C)N1C(=O)c2ccccc2S12c1ccccc1C(=O)N2C(C)C 104155887 ONSWBGWLMLKBGN-UHFFFAOYSA-N 354.475 4.468 0 40 FIAB Fc1ccccc1OC1CCN(c2ncccc2Br)CC1 117762617 ZEUTVSMSWJNULX-UHFFFAOYSA-N 351.219 4.031 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148361839 ZFFUEICIKFXJSV-QGZVFWFLSA-N 363.461 4.048 0 40 FIAB C[C@@H](c1nc2ccccc2o1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 180966677 DKCNABNCFACOBG-HOTGVXAUSA-N 365.481 4.086 0 40 FIAB O=C(Nc1ccccc1NC1=CC(=O)N(c2ccccc2)C1)c1ccccc1 217440170 ZIUQCDOPTTWJTB-UHFFFAOYSA-N 369.424 4.282 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 218968756 NJNSSJRGGQSHNN-SFHVURJKSA-N 353.462 4.409 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620564 JTXJBRSOEXRILP-SFHVURJKSA-N 355.365 4.065 0 40 FIAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1 222946991 XTCPKBKQHKMOBP-UHFFFAOYSA-N 357.816 4.259 0 40 FIAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223836606 JFWVSTNYRXXSPP-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(N2CCCCC2)cc1 224076084 RWIULAFEBAXDEH-UHFFFAOYSA-N 364.474 4.448 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2)cc1Cl 224155634 YCIHQZKJYPTDRF-UHFFFAOYSA-N 361.869 4.346 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(=O)OC)c1 225242622 XZFKATLVNQUSDQ-HXUWFJFHSA-N 367.445 4.148 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 225390140 NCMGOTWXVNVUAE-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCOc1ccc(C(=O)NCCCN2CCCC[C@@H]2CC)cc1Cl 225608203 PYFJBZPKRCTFHT-INIZCTEOSA-N 352.906 4.123 0 40 FIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225826772 KSNOFKAVVGMEDZ-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB CCOc1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 225917885 SUPJKOIEHJDHBS-UHFFFAOYSA-N 362.433 4.488 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2)cc1N 226266869 BGKVRGLTQLXPLF-UHFFFAOYSA-N 362.271 4.130 0 40 FIAB CC(=O)Nc1nc2nc(C3CCN(Cc4ccccc4)CC3)ccc2s1 257315026 UZOYEICEFVKKTI-UHFFFAOYSA-N 366.490 4.029 0 40 FIAB COc1ccc(S(=O)(=O)NC2CCCCCCC2)c(Cl)c1Cl 408614441 CGYRAYSANVMWTQ-UHFFFAOYSA-N 366.310 4.393 0 40 FIAB O=C(O)[C@@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 408817440 WFIUUGHHKOHUKA-WMZOPIPTSA-N 372.877 4.131 0 40 FIAB Cc1nn([C@H](C)CC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c(C)c1C 409412800 GNHJNBGJOMDYSY-ZKPTXMGASA-N 365.521 4.458 0 40 FIAB O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(C(F)F)cc1 588035868 IXONFWXKZDCLIT-UHFFFAOYSA-N 365.792 4.470 0 40 FIAB COCc1cc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]21 667276975 UPZXNCPWZIKDRL-RYQLBKOJSA-N 360.816 4.085 0 40 FIAB Cc1c(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)cccc1-c1ccccn1 680159266 TZSHOHYLUGNZKE-GOSISDBHSA-N 366.367 4.199 0 40 FIAB O=C(Cn1cc(Cl)cn1)Nc1cccc(-c2ccc3ccccc3c2)n1 1264948684 VQUUDNGTLLROBY-UHFFFAOYSA-N 362.820 4.390 0 40 FIAB Cc1nnc(N2CCC(N3CCc4sccc4C3)CC2)c2ccccc12 1775970569 GGBURCMJMWYNOT-UHFFFAOYSA-N 364.518 4.027 0 40 FIAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3OC)sc2c1 975501 QPDAJJSTWAEZRO-UHFFFAOYSA-N 374.487 4.434 0 40 FIAB COc1ccccc1C(=O)Nc1nc2ccc3nc(C)sc3c2s1 1509829 XEHPRZRYQQLMBM-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1ncnc2c1oc1ccccc12 2467165 FRMSNWVKAWMUCC-CYBMUJFWSA-N 355.463 4.259 0 40 FIAB Cc1ccsc1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3255606 ZQJNNRMDCMOLHZ-UHFFFAOYSA-N 365.454 4.119 0 40 FIAB COc1cc(OC)cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1 3272531 YXVJETWOLJQDMF-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB Nn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 3364529 IJOGOMCYGNNVMS-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc(Cl)c1 3478855 DSPATMKPDQEBRR-JTQLQIEISA-N 360.822 4.134 0 40 FIAB C[C@]12CC[C@H]3c4cc(Br)c(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902446 SORISAYAZBCIQH-LHNYJSQHSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro CC1=C2C[C@@H]3[C@@H](CNCCc4ccc(F)cc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4040147 OJQZAFPFLBEQDS-LUBSMZHTSA-N 371.496 4.416 0 40 FIAB biogenic COc1ccc(-c2nnc3ccc(SCc4cccc(F)c4)nn23)cc1 4164992 NZXCKEKOJXATIG-UHFFFAOYSA-N 366.421 4.231 0 40 FIAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 4496497 ZJNATEOSKCNXRD-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB O=C1CC2(CCN(C(=O)c3c(F)cccc3Cl)CC2)Oc2ccccc21 4505527 WANUIMYTRZIOAI-UHFFFAOYSA-N 373.811 4.119 0 40 FIAB COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1OC 5076113 ODIFBXVWGKJOFJ-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB COc1cc(NC(=O)c2sc(-c3cccs3)nc2C)cc(OC)c1 5404482 XEBAGSPXAZGGHY-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1cccc(Cl)c1 5938720 DQQWIUYMKXWQAV-UHFFFAOYSA-N 352.821 4.204 0 40 FIAB C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OCC)c1OC 6323905 XDSYPZWOZCUPNZ-FOWTUZBSSA-N 361.463 4.269 0 40 FIAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(NC(C)=O)cc1 6356733 KWYQSTZAVJQQQY-XDOYNYLZSA-N 367.474 4.436 0 40 FIAB O=C(Cc1ccc(Br)cc1)NCc1cccc(C(F)(F)F)c1 6848085 XNCVIUHTNUPZGJ-UHFFFAOYSA-N 372.184 4.327 0 40 FIAB CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(C)n1C1CC1)c1ccccc1 7618053 VPHGNIBYYBGLFA-SUMWQHHRSA-N 358.511 4.060 0 40 FIAB Cc1cccc(NC(=O)CN(C)Cc2ncc(-c3ccc(F)cc3)o2)c1C 7918442 GUOIXWPMGZEXHD-UHFFFAOYSA-N 367.424 4.168 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(Cl)c2)CC1 7952001 FDINLKOKZAHDCI-UHFFFAOYSA-N 368.786 4.321 0 40 FIAB COc1ccccc1C[C@@H]1SC(=O)N(Cc2ccccc2Cl)C1=O 8169207 ICUDJMGDLFJVOE-INIZCTEOSA-N 361.850 4.155 0 40 FIAB O=c1c2ccccc2nc(SCc2ccc(-n3cccn3)cc2)n1C1CC1 8252804 FBHXJMMZWSVTOK-UHFFFAOYSA-N 374.469 4.209 0 40 FIAB Cc1ccccc1CN(C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 8344100 NYYIASPMAFCDDA-LJQANCHMSA-N 365.521 4.444 0 40 FIAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccc(Cl)cc1Cl 8533916 VUPYPMFGTXCJSJ-NSHDSACASA-N 357.306 4.192 0 40 FIAB CC[C@H](c1ccccc1)c1nn2c(-c3ccc(N(C)C)cc3)nnc2s1 9192519 VHMOSIQIXLGWPY-QGZVFWFLSA-N 363.490 4.461 0 40 FIAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C(C)C)cc1 9303486 RMPAUXRUPLZFHK-UHFFFAOYSA-N 364.445 4.034 0 40 FIAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccs1 9424947 AIRMZDOFJIPCQT-UHFFFAOYSA-N 354.475 4.341 0 40 FIAB O=C1NC2(CCCCCC2)C(=O)N1Cc1csc(-c2cccs2)n1 9948827 OOPHLOBDWRKPEI-UHFFFAOYSA-N 361.492 4.016 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2nc(-c3ccccc3F)sc2C)c1 11691897 HTDDNQMQYGTHNQ-UHFFFAOYSA-N 369.421 4.468 0 40 FIAB CC(=O)c1cc(C(=O)N[C@@H](c2ccncc2)c2ccccc2C)cs1 12148526 WGPFVHVIUCTLAF-IBGZPJMESA-N 350.443 4.174 0 40 FIAB Cn1c(CNCc2ccccc2OCc2ccccc2)nc2ccccc21 12507666 GUIRMEIHGSTOFQ-UHFFFAOYSA-N 357.457 4.442 0 40 FIAB CC(C)C(=O)N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 12614389 BSLIQTHQRWNKGZ-UHFFFAOYSA-N 372.515 4.056 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCS2 12821414 UXLBBPDEACQSQV-UHFFFAOYSA-N 365.451 4.355 0 40 FIAB Cc1ccc([C@@H](NC(=O)COc2ccc(F)cc2)c2cccs2)cc1 12870155 JQIMDPMVVFLDAH-HXUWFJFHSA-N 355.434 4.480 0 40 FIAB Cc1ccccc1OCCSCCC(=O)NCc1ccccc1Cl 13015999 PSYHCWFHOZVLIC-UHFFFAOYSA-N 363.910 4.467 0 40 FIAB CCOc1ccc(CN(C)C(=O)Cc2c(F)cccc2Cl)cc1OC 13096225 SUNKLHSXLBUYSF-UHFFFAOYSA-N 365.832 4.088 0 40 FIAB Cc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2cccnc2)n1 13213720 VFAXGCGTJBQAIK-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB Cc1cc(C(=O)O)ccc1NC(=O)COc1ccc(Cl)cc1Cl 13391021 QLVGBXDUOUZVPM-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 13668336 MARFNBRWNLETFF-LLVKDONJSA-N 356.274 4.274 0 40 FIAB CCCCOc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 14199626 JLTKHKYGJASCIN-UHFFFAOYSA-N 366.461 4.144 0 40 FIAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1c(F)cccc1Cl 14239112 POFJYIWZPZFESG-LBPRGKRZSA-N 369.267 4.269 0 40 FIAB COc1ccc(N2CCn3c(SCc4ccc(Cl)cc4)nnc32)cc1 16954013 SNMZLTCJRIOAFS-UHFFFAOYSA-N 372.881 4.384 0 40 FIAB Cc1cc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cc2)no1 17074482 CWEWYSRSMYRQAD-UHFFFAOYSA-N 361.810 4.203 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCc1cc(-c2ccc(F)cc2F)on1 17155753 MMQBIVDWINUNBG-UHFFFAOYSA-N 362.763 4.132 0 40 FIAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ccccc1 18117247 JPKCEWUKQYGWPE-UHFFFAOYSA-N 374.396 4.416 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1cccc(F)c1)CO3 20610216 VLWQKDBKKXZEQY-UHFFFAOYSA-N 367.420 4.198 0 40 FIAB biogenic CC(=O)c1cccc(NC(=O)CCOc2cccc(Br)c2)c1 20859071 WVOXNNOEOMBBHF-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1CCOCC1 21759260 SLMUBNYAFVWPCN-UHFFFAOYSA-N 361.388 4.244 0 40 FIAB COc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 22540745 UMUPRHXZUKUVSO-AWEZNQCLSA-N 374.868 4.090 0 40 FIAB CN1CCc2nc(NC(=O)c3sccc3-c3ccccc3)sc2C1 23606695 DYUJIEVXNBRKOW-UHFFFAOYSA-N 355.488 4.112 0 40 FIAB CCCCc1noc(CSc2nnc3cc(C)c4ccccc4n23)n1 24836853 QHCJQZXRGDEQAB-UHFFFAOYSA-N 353.451 4.209 0 40 FIAB C[C@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1OC(F)F 25300259 LQWRFQJFBRTVHU-JTQLQIEISA-N 357.303 4.380 0 40 FIAB CC(C)(C)c1cc([C@@]2(O)CN=C3CCCCCN32)cc(C(C)(C)C)c1O 26507705 ZBQAZTXMMIPSOG-QFIPXVFZSA-N 358.526 4.420 0 40 FIAB CCOc1ccc2nc(SCc3noc(-c4cccs4)n3)[nH]c2c1 28192603 DVNGEADQTGUIEN-UHFFFAOYSA-N 358.448 4.365 0 40 FIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(SC(F)(F)F)cc1 29331571 IKLUZCPLOMDTCP-UHFFFAOYSA-N 365.380 4.447 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccccc2C)c1C 30754416 VVMCSNSWFYZPMN-SFHVURJKSA-N 355.434 4.276 0 40 FIAB O=C(Nc1cccc(C2SCCS2)c1)c1c[nH]c2ccccc2c1=O 32712450 ZXKYPQRGTRCZAT-UHFFFAOYSA-N 368.483 4.259 0 40 FIAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1Cc2ccccc2O1 32768851 HETKVRGYOFZTOA-IBGZPJMESA-N 353.805 4.220 0 40 FIAB CCOC(=O)c1c(C)oc2ccc(OCC(=O)Nc3ccccc3C)cc12 32810292 ZIWXYNAPVZHARX-UHFFFAOYSA-N 367.401 4.244 0 40 FIAB O=C(NCc1nc2ccccc2s1)c1cc(-c2ccccc2F)on1 32830171 AHDCYJSGXCINNF-UHFFFAOYSA-N 353.378 4.020 0 40 FIAB COc1cc(-c2nc3ccccn3c2Nc2ccccc2OC)ccc1O 35616032 LLARDPKWIRVYNX-UHFFFAOYSA-N 361.401 4.468 0 40 FIAB Cc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1 35648378 LBQIKMSVZZNENF-RBFDBLARSA-N 369.467 4.022 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccc(C)cc2)c1[C@@H]1C(=O)Nc2ccccc21 36359761 AMTVLFQBDWJTTO-GOSISDBHSA-N 360.413 4.169 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1ccc(Cl)cc1Cl 40096571 GOSZZCZFFFPOQS-AWEZNQCLSA-N 361.175 4.127 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N[C@H](CC)c3ccc(C)cc3)ccc21 40142796 UVNGXJPQWDYPAQ-LJQANCHMSA-N 350.462 4.175 0 40 FIAB CCCN1COc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2C1 57173019 DRADUUCDQVYTIY-UHFFFAOYSA-N 365.429 4.339 0 40 FIAB CNC(=O)c1cc(NC(=O)c2cc(Cl)sc2Cl)ccc1Cl 58192896 CFGNBJIFBFWOIQ-UHFFFAOYSA-N 363.653 4.320 0 40 FIAB O=C(CNc1ccccc1NC12CC3CC(CC(C3)C1)C2)N1CCCCC1 58440232 GMPKIWOKMBRBDD-UHFFFAOYSA-N 367.537 4.492 0 40 FIAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccccn1 67259341 NOLODOVJLVALLP-UHFFFAOYSA-N 373.481 4.441 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc3ccccc3c2)cc1 72219603 GMXOZFUGMUQEQW-OAQYLSRUSA-N 366.486 4.459 0 40 FIAB CC[C@@](C)(CCCNC(=O)Nc1ccc(C(F)(F)F)cc1)C1OCCO1 72306194 LOGFXDCXWJGRQO-KRWDZBQOSA-N 374.403 4.396 0 40 FIAB O=C(C1CCCC1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359644 ZBSTZFZFVHDHGD-UHFFFAOYSA-N 353.441 4.179 0 40 FIAB CCN(Cc1ccc(C(=O)Nc2cc(CC(C)(C)C)n[nH]2)cc1)C(C)C 76022615 NTXGGIGNLPWCOL-UHFFFAOYSA-N 356.514 4.481 0 40 FIAB c1ccc2c(CN3CCN(Cc4nc5cccnc5s4)CC3)cccc2c1 89873233 VAPOCWFNXYKIOW-UHFFFAOYSA-N 374.513 4.162 0 40 FIAB CC(=O)Nc1cccc(NCc2nc(-c3cccc(Cl)c3)no2)c1C 97704364 ZEETZOFDCKYTFQ-UHFFFAOYSA-N 356.813 4.269 0 40 FIAB Cc1ccc(CSc2ncccc2S(=O)(=O)Nc2ccccc2)cc1 98211995 MLTYSTJZRFEQHZ-UHFFFAOYSA-N 370.499 4.483 0 40 FIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 101239829 VIHOMLSGNCJQQU-SYNHAJSKSA-N 360.885 4.260 0 40 FIAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 101357373 CPVAUVXVNODHPE-QYAIJTBZSA-N 355.743 4.060 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103138026 DZJKLYFSTKNSLK-GJZGRUSLSA-N 355.459 4.249 0 40 FIAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 107333293 ONYWBJNOKGLNNU-QIJLZVCCSA-N 369.509 4.049 0 40 FIAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1C2 107568819 FIQHLHBSQNZFSH-KCQAQPDRSA-N 374.282 4.069 0 40 FIAB C[S@@](=O)Cc1cccc(C(=O)NCC2CCC(c3ccccc3)CC2)c1 108289342 UQTSZPGKHTZYTQ-QSEDJUOYSA-N 369.530 4.269 0 40 FIAB O=C(Cc1n[nH]c2ccccc12)N[C@@H]1CC2(CCCC2)Oc2ccccc21 130110873 FYUPCSATHMNOEA-LJQANCHMSA-N 361.445 4.058 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2F)c(C)c1 219527609 BOXVGYIQJOGTRT-MRXNPFEDSA-N 361.482 4.259 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 223133620 SLQZEBYPOOTOAQ-OXJNMPFZSA-N 371.477 4.355 0 40 FIAB O=C(NCCOc1ccc(F)cc1)/C(=C/c1ccco1)c1ccccc1 223431141 OCKBMBILTMYZKO-HMMYKYKNSA-N 351.377 4.155 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225838626 DBRZMXAHGNGLAG-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB COCCC(=O)N[C@@]1(C)C[C@H](c2cccc(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257304129 SKEQFZXYOGJDGR-LUXPHIFBSA-N 363.473 4.003 0 40 FIAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4ncccc4F)[C@@H]3C[C@H]21 257333361 YBGIVYSNIYGBNX-SKBHOOIQSA-N 368.452 4.112 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C 408610430 UGUUETLHUMWLTO-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB Cc1cc(C)c2c(C(=O)N3CCCC[C@H]3CCN)cc(C3CC3)nc2c1 585089994 HVRXPEBHWYUARU-KRWDZBQOSA-N 351.494 4.073 0 40 FIAB C[C@H](NC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)c1nccs1 585090730 AYDROJULDKNBCO-NSHDSACASA-N 370.396 4.341 0 40 FIAB O=C(/C=C/c1ccsc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 606440745 YOMWJYNMCBNOLX-VUUYWXRKSA-N 361.513 4.401 0 40 FIAB C[C@H]1C[C@@H](C)C[C@H](CNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C1 1666491728 UWXNBFIKZNMYOL-FVQHAEBGSA-N 357.498 4.116 0 40 FIAB Cn1c([C@@H](O)C2(c3cccnc3)SCCCS2)cc2ccccc21 633540 HSJHPWVNBPKEQJ-GOSISDBHSA-N 356.516 4.330 0 40 FIAB Cc1cccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 925460 GMTDOIRSLNJCBN-UHFFFAOYSA-N 350.403 4.387 0 40 FIAB CNc1ccn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)n1 945459 FKFKJVBIGRNCFE-UHFFFAOYSA-N 360.442 4.065 0 40 FIAB CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1 1664914 LBIAQAQGJAIYBG-UHFFFAOYSA-N 369.465 4.138 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1cccnc1Oc1ccccc1 2543520 ULJOJPKFXVVYGU-UHFFFAOYSA-N 357.413 4.328 0 40 FIAB CCOc1ccc(-n2c(SCC)nnc2-c2cccc(OC)c2)cc1 2625654 CXRQEWJYLXODMZ-UHFFFAOYSA-N 355.463 4.454 0 40 FIAB CCc1n(CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccccc2[n+]1C 3878728 FXJNAOPQWIPEMZ-HLIPFELVSA-N 357.518 4.032 0 40 FIAB COc1ccccc1C(=O)Nc1c2c(nn1-c1ccccc1C)CSC2 3893220 MIGYLUXUCLMASP-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB COc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4540008 CSBDJZTWWAOHBK-NRFANRHFSA-N 373.408 4.402 0 40 FIAB CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816637 XXSXIFCHVGPLHS-MSOLQXFVSA-N 366.852 4.409 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(C)cc2)c1 4854538 PEZFZXKWUHMIHJ-OAQYLSRUSA-N 361.445 4.442 0 40 FIAB COc1ccccc1-c1nnc2n1N=C(c1ccc3ccccc3c1)CS2 5120065 NFLAPBSYQTYXBA-UHFFFAOYSA-N 372.453 4.465 0 40 FIAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(F)c(Cl)c1 5249047 ITAKXOFBOZWCOB-UHFFFAOYSA-N 371.224 4.135 0 40 FIAB CCCCOc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 5440614 SZHLGWLPUINPKN-UHFFFAOYSA-N 352.434 4.245 0 40 FIAB Cc1cc(C=O)cc(C)c1OCC(=O)Nc1ccc(C(F)(F)F)cc1 5456390 VSMOVJZLGHELIA-UHFFFAOYSA-N 351.324 4.152 0 40 FIAB CCc1ccc(/C=C/C(=O)Nc2ccccc2I)o1 5485435 CJHKJQRQHWBIRM-MDZDMXLPSA-N 367.186 4.099 0 40 FIAB CCc1nnc([C@H]2C(=N)S/C(=C\c3c(C)[nH]c4ccccc34)C2=O)s1 6420148 ZKUKPXKYRSEAAN-AQBXLNQDSA-N 368.487 4.308 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)c1cnc(Cl)c(Cl)c1 6832132 XTSOHVNVTVDRNR-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(C(=O)O)cc1 6961558 QJEPHAMHCVXTQC-DEDYPNTBSA-N 372.424 4.309 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1 7308015 LBIWVCJZDGEEIR-JTQLQIEISA-N 374.687 4.142 0 40 FIAB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc[nH]1 7986032 YBWKAOAOILMGHE-LJQANCHMSA-N 351.427 4.274 0 40 FIAB CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1ccccc1 8090229 SQNYCQLAIAUWRQ-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB COc1cccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 8130480 ILWMRXBXVQWKEP-UHFFFAOYSA-N 351.431 4.447 0 40 FIAB COc1cccc(NC(=O)C[C@@H](C)N[C@H]2CCSc3ccccc32)c1 8328528 GBHNLGZJDNHEAB-KDOFPFPSSA-N 356.491 4.239 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2ccsc2)n1 9114167 ICEMAWWJXFRLHI-GFCCVEGCSA-N 358.488 4.300 0 40 FIAB Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1 10260890 CIPMSDOTVYMVMY-KRWDZBQOSA-N 354.841 4.293 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(-c3ccccn3)nnc2s1 10312418 QCIBNGRTHJQARH-UHFFFAOYSA-N 371.853 4.215 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3c(C)cccc3C)n2)cc1 11914501 NTWAVECYEKREFK-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB CCOc1ccccc1NCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O 12148002 WZDCUUXGLNQHCR-UHFFFAOYSA-N 374.444 4.033 0 40 FIAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](Cc2cccs2)c2nccs2)n1 12225914 SVUMAVLAHFWGEB-HOCLYGCPSA-N 374.535 4.069 0 40 FIAB CCC(CC)C(=O)NCCn1ncc(-c2cc(C)no2)c1-c1cccs1 12241906 CVFLUFWLPFJJLZ-UHFFFAOYSA-N 372.494 4.127 0 40 FIAB Fc1ccc(NC2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1 12374759 NHCIESOAVJUVLO-UHFFFAOYSA-N 359.817 4.117 0 40 FIAB O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccc(C(F)(F)F)cc1 12750587 WYWQAETYIDYTHS-UHFFFAOYSA-N 373.378 4.140 0 40 FIAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)c1ccc(F)cc1 16307152 JNOOAHXCWCPXTA-GOSISDBHSA-N 365.408 4.029 0 40 FIAB Cc1ccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3n2CCS3)cc1 17040972 KMZRSKQMRWCWFK-UHFFFAOYSA-N 367.449 4.033 0 40 FIAB Cc1ccccc1-c1ccc(CN2CCC(N(C)CCN(C)C)CC2)cc1 19237435 NNGOHRZYIJZDGI-UHFFFAOYSA-N 365.565 4.120 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 19934581 MVLFZTSGAGEDKT-OXJNMPFZSA-N 371.477 4.053 0 40 FIAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 20372290 SISYVAVUTPIHBH-SFHVURJKSA-N 350.462 4.329 0 40 FIAB O=Cc1cc(Cl)c(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 20393532 BNTHMQRPEVTEPD-UHFFFAOYSA-N 358.608 4.477 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(C(=O)OC)ccc1C 20486297 OWTSYQSZNFGIMW-MRXNPFEDSA-N 361.825 4.231 0 40 FIAB Cc1cc(CNC(=O)NCc2ccc(OCC(F)(F)F)cc2)ccc1F 23392549 FMODUQDWBJHOBI-UHFFFAOYSA-N 370.346 4.075 0 40 FIAB CCOc1c(Cl)cc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1OC 23889340 NNBFPABTBJQQBF-UHFFFAOYSA-N 371.824 4.185 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc2[nH]cnc2c1 24864667 QSWVGOHPDBSGMS-UHFFFAOYSA-N 370.384 4.141 0 40 FIAB CC(=O)Nc1ccc(CC(=O)NCC2(c3ccccc3)CCCCC2)cc1 25251019 JTVIINNRCXFEKR-UHFFFAOYSA-N 364.489 4.206 0 40 FIAB CCN(CC)CCCNCC(=O)N1c2ccccc2Sc2ccccc21 26439620 CZTPTNSQKHOJMK-UHFFFAOYSA-N 369.534 4.137 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(SC)ccc1C 27390279 UUYSGVDMHUBICC-AWEZNQCLSA-N 356.491 4.498 0 40 FIAB Cc1cc(C)c2nc(-c3ccc(C)s3)cc(C(=O)N3CCOCC3)c2c1 27977193 NUIWJXNZDXLMIP-UHFFFAOYSA-N 366.486 4.361 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1OCC 28245263 JOWRSCKDLZGUJB-UHFFFAOYSA-N 351.406 4.126 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)cc2cccnc12 32753678 UFKLKMCAJSATFK-UHFFFAOYSA-N 363.808 4.030 0 40 FIAB Cc1nc2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2s1 32768167 JNPWOEKYHQAJOH-UHFFFAOYSA-N 370.459 4.288 0 40 FIAB Cc1cc(C(=O)CCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c(C)s1 32819147 YQOIZUPZZHOWRX-LBPRGKRZSA-N 355.463 4.082 0 40 FIAB CCc1sc(C(=O)OCc2nnc(-c3ccc(OC)cc3)o2)cc1C 32842579 YHQZOHJSRYLKJM-UHFFFAOYSA-N 358.419 4.035 0 40 FIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(C(F)(F)F)nc1 32930674 XJRRKOXDSQBWHS-UHFFFAOYSA-N 363.339 4.010 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@H](c2ccc(O)cc2)C1 36358303 YAXRTDZEGJFXIY-ZDUSSCGKSA-N 357.772 4.494 0 40 FIAB O=C(NCc1ccccc1COCc1ccccc1)c1n[nH]c2ccccc12 36390757 XMPWXQAXZMTNGL-UHFFFAOYSA-N 371.440 4.210 0 40 FIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(F)c(Cl)c2)cc1C 38487531 HTCSICBRYPHBEA-UHFFFAOYSA-N 359.792 4.210 0 40 FIAB O=C(CCSc1ccccc1)NCC1CCN(Cc2cccs2)CC1 38584546 UJHNGCGLYHCMQF-UHFFFAOYSA-N 374.575 4.259 0 40 FIAB COc1ccc(O[C@H](C)C(=O)N(Cc2ccco2)c2ccccc2)cc1 40039474 CGCFTKLLMNXMGL-MRXNPFEDSA-N 351.402 4.289 0 40 FIAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4oc(C)nc4c3)cs2)o1 40079753 AGXFQHABXPDSBQ-UHFFFAOYSA-N 353.403 4.342 0 40 FIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 44948801 MAPZRGSTGVRQLU-HXUWFJFHSA-N 361.507 4.210 0 40 FIAB CN(c1ccccc1)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 47278417 SANQBTPZOWAZLG-UHFFFAOYSA-N 364.276 4.129 0 40 FIAB CN(CC(=O)N1CCC[C@@H]1c1cccs1)Cc1c(F)cccc1Cl 48340686 DUMCDSWDUCCVTE-MRXNPFEDSA-N 366.889 4.336 0 40 FIAB CC(C)c1noc(CCCC(=O)Nc2ccc3oc(C(C)C)nc3c2)n1 48364417 FCAJXQKQKFKTGC-UHFFFAOYSA-N 356.426 4.419 0 40 FIAB CC(=O)Nc1c(C)ccc(NC(=O)CC2(C(=O)O)CCCCCC2)c1C 55151217 JAZDKJDOSGKQOB-UHFFFAOYSA-N 360.454 4.016 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C(C)(C)c1ccccc1 57623930 FOJMYBXPGJOLSN-UHFFFAOYSA-N 361.489 4.425 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 59227282 UNIRCWRHWSFXEN-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Br)cc2)o1 70655606 CYRWZJCEJNCOSB-UHFFFAOYSA-N 359.183 4.143 0 40 FIAB Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@@H]1CCCCO1 70668284 VHYKWZGNJQDACQ-HNNXBMFYSA-N 361.463 4.310 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNCc1cnc(C)n1-c1ccccc1 72302912 DVPXMLAOUGSEDM-UHFFFAOYSA-N 371.488 4.273 0 40 FIAB O=C(CCCc1nnc2ccccn12)Nc1ccc(Oc2ccccc2)cc1 72405086 LUMOWJFDLBYJMP-UHFFFAOYSA-N 372.428 4.483 0 40 FIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)N(Cc1ccccn1)C1CC1 72483087 YYJMMGRNAHQMCR-QGZVFWFLSA-N 357.454 4.132 0 40 FIAB O=c1[nH]c2ccccc2cc1CN[C@H]1CCCc2cc(OC(F)F)ccc21 84594848 GTWUAMREJCWSHX-IBGZPJMESA-N 370.399 4.297 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 84636462 BVVHQVAIPJCIOO-NEPJUHHUSA-N 372.918 4.167 0 40 FIAB COc1ccc(CCNC(=O)c2cn(C(C)C)c3ccccc23)cc1OC 85876821 KFLPTHDYOCGQBZ-UHFFFAOYSA-N 366.461 4.212 0 40 FIAB biogenic C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CCSc1ccccc1F 95423958 HKQPIIVPJWBILD-GUYCJALGSA-N 365.445 4.075 0 40 FIAB Cc1c(F)cccc1-c1ccc(CN2CCN(Cc3cccnc3)CC2)o1 95468616 YFHGECLZTFTJLB-UHFFFAOYSA-N 365.452 4.107 0 40 FIAB O=C(O)c1cc(-c2ccccc2)oc1CCNC(=S)Nc1ccccc1 96306236 ZWMOQMWZXVULGA-UHFFFAOYSA-N 366.442 4.174 0 40 FIAB Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccs5)no4)c3CO2)cc1 97077705 UBSCLCMVCJGYKR-AWEZNQCLSA-N 368.393 4.072 0 40 FIAB CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1 98212254 APPIZHVJYRHGQS-SFHVURJKSA-N 363.417 4.113 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cc(C(F)(F)F)ccc1-n1cncn1 104660881 WKBQOCPBSYTXAG-RWMBFGLXSA-N 364.371 4.051 0 40 FIAB COC[C@H]1CCCN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 113608267 QAXXNOGKRBVELM-ZDUSSCGKSA-N 373.324 4.339 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 165576078 FVNDZHBOQAXKLV-NTKGCBCNSA-N 355.743 4.060 0 40 FIAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc(C(F)(F)F)nc1 206948281 FOTDVDQWQMBSTL-UHFFFAOYSA-N 363.364 4.154 0 40 FIAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)cc1 216379247 XHHLCZORWARUEG-QIXNEVBVSA-N 369.461 4.302 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219306372 VKDTWKZDSIVVEH-HNAYVOBHSA-N 369.461 4.190 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SC(C)C)s1 224082661 ZHYICOMNQXSVFZ-NSHDSACASA-N 371.915 4.488 0 40 FIAB C[C@@H](NC(=S)Nc1nccc(-c2cccs2)n1)c1ccc(F)cc1 225186539 QRBFTTVMZGXCSV-LLVKDONJSA-N 358.467 4.392 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225605375 BDWOPJSPCRLEDW-IBGZPJMESA-N 365.470 4.208 0 40 FIAB CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225727142 YMNBWALKKKFOQK-KRWDZBQOSA-N 362.514 4.084 0 40 FIAB O=C(N1CC[C@@H](Oc2ccncc2)C1)C1(c2ccc(Cl)cc2)CCCC1 253398133 GOASAKUTXDDVOG-LJQANCHMSA-N 370.880 4.227 0 40 FIAB CC(C)N1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 257206110 BBXBGMPSAQHMMK-KRWDZBQOSA-N 357.498 4.329 0 40 FIAB CSc1ccccc1C(=O)N1CCC[C@H](N2CCc3ccccc3C2)C1 408613643 ZFICBHOJQOTCJU-IBGZPJMESA-N 366.530 4.071 0 40 FIAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)C(C)(C)C 408626869 JAKPZPURCJBKDB-UHFFFAOYSA-N 366.490 4.397 0 40 FIAB COc1cccc2[nH]c(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)cc12 524731786 KNGLXMCFSRFCAU-SFHVURJKSA-N 359.429 4.465 0 40 FIAB biogenic O=C(NCc1ccc2occc2c1)Nc1ccc(OC[C@@H]2CCCO2)cc1 665634232 XOFTYOFXHADODX-IBGZPJMESA-N 366.417 4.312 0 40 FIAB Cc1cc(O)nc(N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)n1 1614423155 HHPARXWMBLBSOW-CYBMUJFWSA-N 356.426 4.243 0 40 FIAB CC[C@@H](C(=O)O)c1ccc(C2CN(C(=O)OCc3ccccc3)C2)cc1 2362804932 VJEOJFHPNJKCKM-LJQANCHMSA-N 353.418 4.001 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)cc1C 788073 BIDCOMGVSKFVBA-LJQANCHMSA-N 352.434 4.043 0 40 FIAB CCOc1ccc(NC(=O)Cn2cc(C(=O)CC)c3ccccc32)cc1 811914 CJZRZJXBMNOYJN-UHFFFAOYSA-N 350.418 4.271 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)cc1 812079 CWSMHHIHZMUYKI-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB COc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)c(OC)c1 828143 VOHHVTGHWXSXMC-XDHOZWIPSA-N 359.381 4.202 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)C1CCCC1 907993 VYTUARDIORLNCZ-UHFFFAOYSA-N 353.443 4.440 0 40 FIAB O=C(COc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 1453402 AEOVJJNOYFUPPA-UHFFFAOYSA-N 358.850 4.405 0 40 FIAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@H]1CCCO1 1518672 BXZGVKKIYVFKQS-CYBMUJFWSA-N 357.262 4.158 0 40 FIAB CSC1=N[C@H](c2ccccc2)N2C(SC)=N[C@H](c3ccccc3)N12 2324307 AHAGRHISYLXMIM-HOTGVXAUSA-N 354.504 4.368 0 40 FIAB C[C@H](NC(=O)c1ccc(F)cc1Cl)[C@H](c1cccs1)N1CCCC1 3261396 QWEKCQFTYATLDE-YVEFUNNKSA-N 366.889 4.496 0 40 FIAB COc1cccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 3322565 XCBVQYXAPZWNOV-UHFFFAOYSA-N 358.393 4.306 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(F)c(Cl)c1 3475002 SODHQBMVHOPYPB-UHFFFAOYSA-N 369.830 4.321 0 40 FIAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C(=O)O)cc2)C3=O)cc1 3672764 PAORKHPUYWRMMU-UHFFFAOYSA-N 373.364 4.286 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(O)cc2)on1 3907790 IPJFVWUIZVYFJV-UHFFFAOYSA-N 359.179 4.062 0 40 FIAB COc1ccc(-c2nc(C)c(CCNC(=O)C3CCCCC3)s2)cc1 4347000 SFKFUOZTHSQEAQ-UHFFFAOYSA-N 358.507 4.366 0 40 FIAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(SC)cc2)N3)C1 4556403 RMRYXTQFYUFNMC-MRXNPFEDSA-N 359.520 4.277 0 40 FIAB COc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NCCS2)cc1 4619324 ZANNDWDEGMPXGG-UHFFFAOYSA-N 361.854 4.490 0 40 FIAB Cc1ccc(-n2c(S)nnc2-c2ccc(F)cc2)cc1Br 4686606 TUPFKJAAUPMPGH-UHFFFAOYSA-N 364.243 4.433 0 40 FIAB COc1ccc(-c2cn3c(C)c(C(=O)NC4CCCCC4)sc3n2)cc1 4930986 XOADOWFMTFIQSA-UHFFFAOYSA-N 369.490 4.442 0 40 FIAB CCCCCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C 6245917 KDWKNMGUZZWFPK-UHFFFAOYSA-N 357.317 4.459 0 40 FIAB COc1cccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)c1 6248654 WCHRTBSDLXFDPU-UHFFFAOYSA-N 362.414 4.014 0 40 FIAB COc1ccc(CCC(=O)Nc2c(C(C)=O)c(C)nc3ccccc23)cc1 6549937 ZGFJDWCVIUGIEI-UHFFFAOYSA-N 362.429 4.326 0 40 FIAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2 6890667 HIPHFIOQEHVEOK-UHFFFAOYSA-N 358.353 4.476 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 6962716 WEJSTLKYNSXIIQ-UHFFFAOYSA-N 363.461 4.279 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2)cc1 7686241 RSJVHYBYKKHTSN-YADHBBJMSA-N 359.425 4.041 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cccc(C)c2C)c1 7716770 UFWSFOLIPIJOBP-HXUWFJFHSA-N 368.477 4.096 0 40 FIAB CSc1ccc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 8049078 SIHKLTGUISNXGP-CQSZACIVSA-N 374.531 4.416 0 40 FIAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 9063184 NCCLKYCPUCVOJE-HXUWFJFHSA-N 364.533 4.345 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)cc2c1C 9552039 YQJHMKJUYCOESB-PNPHSEOMSA-N 356.466 4.025 0 40 FIAB O=C(NCCCOC1CCCCC1)c1c[nH]nc1-c1ccc(Cl)cc1 10126373 NXUFGBNYTAUTAF-UHFFFAOYSA-N 361.873 4.199 0 40 FIAB Cc1ccc(N[C@H](C)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 11616057 ZIEIWJHCHNZGDY-OAHLLOKOSA-N 351.475 4.481 0 40 FIAB CCc1cc2c(CNc3ccc4oc(C)nc4c3)cc(=O)oc2cc1O 12515623 VGDNCQBECGLCGW-UHFFFAOYSA-N 350.374 4.123 0 40 FIAB C[C@H](NC(=O)CCCSc1nc2ccccc2s1)c1cccnc1 12549408 HLGGQPXELDQNCD-ZDUSSCGKSA-N 357.504 4.441 0 40 FIAB COc1cccc(NC(=O)[C@H](C)Nc2cc(C(C)(C)C)ccc2OC)c1 12594865 ROBZWEXTHLGQJC-AWEZNQCLSA-N 356.466 4.440 0 40 FIAB COc1cccc2cc(/C=C/C(=O)Nc3ccc(NC(C)=O)cc3)oc12 12616760 LRHIXKCRKZAGJO-ZHACJKMWSA-N 350.374 4.052 0 40 FIAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2F)cc1 12856150 VCYYTFTXINLIKT-FQEVSTJZSA-N 356.441 4.390 0 40 FIAB Cc1c(C(=O)O)sc2nc(/C=C/c3csc4ccccc34)[nH]c(=O)c12 14016367 POIPTDDUVUBVMW-VOTSOKGWSA-N 368.439 4.376 0 40 FIAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)C1CCCC1 14069618 KZOPRABNYJPTQL-GOSISDBHSA-N 371.506 4.060 0 40 FIAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1cccc(Cl)c1Cl 16376450 ORSFEXQVZAVWJM-LLVKDONJSA-N 357.306 4.192 0 40 FIAB Fc1ccc(-c2nnc(CN3CCC(Cc4ccccc4)CC3)o2)cc1 16474651 NYMYFQBKBZQQTC-UHFFFAOYSA-N 351.425 4.330 0 40 FIAB O[C@@H](CNCc1cccc(OCc2ccccc2F)c1)c1ccccc1 16477505 JGDFEHSLVPDZIB-QFIPXVFZSA-N 351.421 4.228 0 40 FIAB COCCn1c(C)cc(C(=O)CSc2ccc3ccccc3n2)c1C 17360491 LJMUEFAZNGKRAQ-UHFFFAOYSA-N 354.475 4.275 0 40 FIAB COc1cccc([C@H]2CN(Cc3cccc(Cl)c3)[C@@H]3CCCN[C@H]23)c1 19566476 IESGPVJEBDEXOE-NJDAHSKKSA-N 356.897 4.069 0 40 FIAB CCN(CC)C1CCN(C(=O)c2cc3cc(C)cc(C)c3nc2C)CC1 19715319 JNRWOHZKKFSWJU-UHFFFAOYSA-N 353.510 4.106 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20141866 KAKIKRLKTJAJSX-UHFFFAOYSA-N 351.402 4.478 0 40 FIAB O=C(CCc1cn(CN2CCCCC2)c2ccccc12)N1CCCCC1 20648926 GKJZYOXGLAXCGH-UHFFFAOYSA-N 353.510 4.030 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(Cl)cc2F)c1 21205416 FJLQODDDIDXWIK-QGZVFWFLSA-N 363.816 4.474 0 40 FIAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 21347195 ZEBDTRUYIZSQLG-KPCXSQENSA-N 363.457 4.279 0 40 FIAB COc1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 22461731 MMXZWOBIGBPTLO-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C(C)C)c1 22995372 HFAHIRUKSPJSDH-UHFFFAOYSA-N 367.493 4.417 0 40 FIAB Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCCCC3)c(O)n2n1 23157693 IPUKUSIGHIRCDO-AWEZNQCLSA-N 362.886 4.034 0 40 FIAB Cc1c(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)oc2ccccc12 23819113 LPNMMLABZLLEMG-UHFFFAOYSA-N 368.864 4.353 0 40 FIAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(C(F)(F)F)cc1 23820891 YQGMYFKNPPEPPT-GFCCVEGCSA-N 361.367 4.135 0 40 FIAB O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccccc1 28800525 HENZJDQFOQVILH-UHFFFAOYSA-N 365.864 4.287 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)n1 31121778 IXNQCPZGOKXSNE-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)CCCc2cccs2)c1 31734235 ALARMLQLPUEQGH-UHFFFAOYSA-N 350.871 4.065 0 40 FIAB CCN(CC)CCNC(=O)c1ccc(COc2cccc3ccccc23)o1 32610895 ZIKBFXMFNHXWCN-UHFFFAOYSA-N 366.461 4.083 0 40 FIAB CCOc1cc(CO)c(Br)cc1OCc1ccc(C)cc1 34772789 WPZIOMRHUQCTEE-UHFFFAOYSA-N 351.240 4.228 0 40 FIAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2ccccc2)C1 38833919 MEDBCWDZWKZKCZ-INIZCTEOSA-N 373.294 4.300 0 40 FIAB CCNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852293 KDZOQJUCEVNFAP-UHFFFAOYSA-N 365.380 4.369 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1OC 40288583 GTYAKZYQWCGLRJ-HNNXBMFYSA-N 367.380 4.152 0 40 FIAB Fc1ccc(-c2noc([C@@H]3CCCN3Cc3c[nH]c4ccccc34)n2)nc1 49155379 AZFQTBIICOVHTM-SFHVURJKSA-N 363.396 4.089 0 40 FIAB biogenic,in-vitro Cc1ccc([C@H]2C=C(c3ccc(Br)cc3)NC(=S)N2)cc1 51329805 ZNRADJBOSZPVFQ-OAHLLOKOSA-N 359.292 4.317 0 40 FIAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2Cl)c(C)n1C(C)C 51494470 LRMDDYLDPUDMJC-UHFFFAOYSA-N 369.248 4.427 0 40 FIAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1cnc2onc(C)c2c1 58423232 QGHJGCIQMYBGQY-UHFFFAOYSA-N 365.311 4.201 0 40 FIAB O=C(CSc1ccc(F)cc1)N(Cc1ccccn1)Cc1ccco1 62018048 ATCMHWLATKNMRY-UHFFFAOYSA-N 356.422 4.135 0 40 FIAB Cc1ccc(-c2noc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C 71768122 BOMNTYNJRHAXJC-UHFFFAOYSA-N 357.454 4.468 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1 72331211 UBFAVLOOLRBIPB-UHFFFAOYSA-N 373.294 4.028 0 40 FIAB Cc1ccccc1[C@H]1CN(C(=O)Nc2c(C)nn(C(C)C)c2C)[C@@H](C)CO1 78933016 KOEMMXAGOHAWDZ-HNAYVOBHSA-N 370.497 4.383 0 40 FIAB CCOc1cc(-c2nc(-c3ccc(Br)cc3)n[nH]2)ccc1O 85384628 SZJLIBYAVGJNSO-UHFFFAOYSA-N 360.211 4.006 0 40 FIAB C[C@H]1CC(=O)CC[C@@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 95943500 HXVIOPYTQXPYCV-KXBFYZLASA-N 353.466 4.195 0 40 FIAB COc1cccc(CN2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 96024378 ITFVNZBNOFCOJG-UHFFFAOYSA-N 355.463 4.186 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 106145411 LZXNERIFFIEZDF-ZRGWGRIASA-N 359.853 4.096 0 40 FIAB O=C(NCc1ncc[nH]1)c1ccccc1Nc1ccc(SC(F)F)cc1 114337130 FSRSLWQDIJHYJJ-UHFFFAOYSA-N 374.416 4.398 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)NCC1(N3CCCCC3)CCCCC1)n2C 141573034 VUJARNPCGZXDHM-UHFFFAOYSA-N 367.537 4.405 0 40 FIAB COc1ccc(CNC(=O)Nc2ccccc2-c2csc(C)n2)cc1 206909445 XGOJEQZWCQRPBP-UHFFFAOYSA-N 353.447 4.449 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1C 219513053 YKDMQNYZDUUTJF-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1OCC 219525385 IPISDGMCUGKATF-KRWDZBQOSA-N 371.477 4.185 0 40 FIAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(Br)cc1 224723726 XZVKFQLGMWERLE-UHFFFAOYSA-N 368.296 4.281 0 40 FIAB CC(C)CSc1nnc(NC(=O)COc2cccc3ccccc23)s1 224828870 TYICBOWGUYXOIF-UHFFFAOYSA-N 373.503 4.457 0 40 FIAB CCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 224938121 OREXFFVJURKAQA-UHFFFAOYSA-N 366.216 4.487 0 40 FIAB CCOc1ccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)cc1 224976676 OLHQGRHVPGSTDI-UHFFFAOYSA-N 351.493 4.022 0 40 FIAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC1CCCCC1 225097884 HKXKTGPGXZKTBC-HXUWFJFHSA-N 358.526 4.351 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1C 225176436 VWMDOCHSLOJHBF-UHFFFAOYSA-N 370.474 4.278 0 40 FIAB COC(=O)N1CCc2ccc(NC(=O)c3cc4ccccc4s3)cc2C1 225624091 XLXIXPMPFCIXSV-UHFFFAOYSA-N 366.442 4.278 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225727493 YFAKCDJWIDXIQZ-HNAYVOBHSA-N 357.450 4.047 0 40 FIAB Cc1cc2c(c(=O)n1Cc1ccccc1)C=C1COc3ccccc3[C@@H]1O2 257258093 KSJUKQUJHOXNBL-JOCHJYFZSA-N 357.409 4.115 0 40 FIAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)c1 306125525 CTFTUZIRNSJHEF-GOSISDBHSA-N 362.477 4.137 0 40 FIAB COc1cccc(C(=S)NCc2ccco2)c1OCc1ccc(F)cc1 408576771 RBUFHDOHDONORZ-UHFFFAOYSA-N 371.433 4.472 0 40 FIAB CCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 408624896 DGWMPKGIOIDGNN-UHFFFAOYSA-N 372.881 4.496 0 40 FIAB COc1ccc(-n2c(C)nnc2SCCOc2ccc(C)cc2)cc1 409100773 WOXSFRAFLQQIBJ-UHFFFAOYSA-N 355.463 4.064 0 40 FIAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 518457333 QWLOVMMBTBPIFU-OAHLLOKOSA-N 361.445 4.462 0 40 FIAB CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc1 588072463 ZVAJQWJBSIBSQJ-UHFFFAOYSA-N 359.447 4.011 0 40 FIAB CC(=O)c1c(C)cc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)cc1C 1176407912 OSOXQGMBRFBZJZ-NRFANRHFSA-N 350.418 4.028 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCc2sc(Nc3ccccc3)nc21)c1ncco1 1554042021 DPPLKEFXLHZQEZ-JSGCOSHPSA-N 368.462 4.172 0 40 FIAB Cc1noc(C)c1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615158291 LXCWCBBIYGEYFE-ROUUACIJSA-N 371.456 4.093 0 40 FIAB O=C(CSC1CCCC1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775976744 DWTCDISZDIOHRS-QGZVFWFLSA-N 361.532 4.241 0 40 FIAB COC(=O)c1cc2c3cc(C(=O)OC)sc3n(-c3ccccc3)c2s1 642845 GTGYYJDZRSGEPS-UHFFFAOYSA-N 371.439 4.480 0 40 FIAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1 811256 ADXSUCIESBFMFG-UHFFFAOYSA-N 357.435 4.260 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)OC1CCCCC1 1332831 OMOJPDULCLEPHN-UHFFFAOYSA-N 357.435 4.186 0 40 FIAB O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=O)N1c1ccc(F)cc1 1443397 CMDSZHUGNGVCHB-GOEBONIOSA-N 362.813 4.062 0 40 FIAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2C)cc1 2723170 WRRQYWNGTLJZQG-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB Cc1cnc(NC(=O)COc2ccc(OCc3ccccc3)cc2)s1 3555896 BGEFFUSIMQXPJD-UHFFFAOYSA-N 354.431 4.048 0 40 FIAB CC(=O)N[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 3615329 XKRMGQOKLOBPFR-JOCHJYFZSA-N 372.468 4.160 0 40 FIAB COc1cccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)c1 3899345 STGHLHJGTDJFJX-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C)c3)o2)cc1 5210523 FAUNTKQCWRJNGI-CQSZACIVSA-N 353.447 4.473 0 40 FIAB Cc1cc(C)n2c(SCc3csc(-c4ccccc4)n3)nnc2n1 5213369 WVDFUAAPCUYKEZ-UHFFFAOYSA-N 353.476 4.157 0 40 FIAB CCSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 5240749 NRVFAQKLRKOKLT-UHFFFAOYSA-N 374.531 4.480 0 40 FIAB O=C1CCCC(=O)C12Cc1ccccc1N1CC[C@H](Cc3ccccc3)C[C@H]12 5274396 SKQROZXXHGGJHD-KNQAVFIVSA-N 373.496 4.379 0 40 FIAB CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OC 5702956 GGSJKROBWCHKJP-DHDCSXOGSA-N 357.793 4.092 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc3ccccc3n2)cc1 6120400 DVOAQWGGNAXKHY-IYOXOMEYSA-N 374.440 4.381 0 40 FIAB CCc1ccccc1NC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 6365667 JYKYUAPVRLZZPL-UHFFFAOYSA-N 371.820 4.335 0 40 FIAB COCc1c(C(=O)Nc2ccc(N3CCCC3)cc2)oc2ccccc12 6581603 NEYWDLUUZGZHRJ-UHFFFAOYSA-N 350.418 4.432 0 40 FIAB O=C(c1n[nH]c2ccccc12)N1CCC(c2nc3ccccc3s2)CC1 6605588 LBDDQBXGCLUUJE-UHFFFAOYSA-N 362.458 4.192 0 40 FIAB C[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1 6625544 POYCJIPKQDGEHD-ZDUSSCGKSA-N 357.251 4.281 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1nccs1 6787833 PSKAJOWKCKWUTJ-UHFFFAOYSA-N 367.261 4.255 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(c3ccccc3)CCCC2)c1C 7511918 XLGZNYKOBVXQTO-UHFFFAOYSA-N 367.445 4.072 0 40 FIAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1F 7580643 MWWVXRWZMJGWFR-UHFFFAOYSA-N 358.438 4.430 0 40 FIAB Cc1ccc(-c2noc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 7605360 AUSDVXNKMMGWBQ-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCOC(=O)c1c(-c2cccs2)csc1NC(=S)NC1CC1 7636575 VGUKLQGDWFXYNI-UHFFFAOYSA-N 352.506 4.102 0 40 FIAB CN1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 8178094 ASYPRCISUWDMIC-UHFFFAOYSA-N 358.898 4.154 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCc2cc(F)cc3c2OCOC3)cc1 8487306 WBZLBGFXGXJCSR-UHFFFAOYSA-N 371.437 4.182 0 40 FIAB CN(CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccccc1 8720802 SIMJKEYBEPEAGY-UHFFFAOYSA-N 362.458 4.366 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1 8779695 OOYOEXHBNDYLEB-UHFFFAOYSA-N 374.488 4.053 0 40 FIAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2C)cc1 9095676 NDCPEFSARQUXBY-UHFFFAOYSA-N 362.429 4.173 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)cc2)cc1 9581544 IUBXNWAJGGUPAM-NRFANRHFSA-N 361.445 4.248 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2cc(F)ccc2s1 11658215 HAZAQCITNNYVEJ-UHFFFAOYSA-N 358.394 4.260 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1C 11917199 XCCZYVJBMOSWIT-ZDUSSCGKSA-N 371.437 4.367 0 40 FIAB Cc1ncc(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)n1C 12147057 OZVLFGJYZQYZDG-UHFFFAOYSA-N 372.532 4.179 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccccc3C)nn12 12390833 LGNGGCAQXRGOND-UHFFFAOYSA-N 356.838 4.490 0 40 FIAB C=Cc1ccc(COC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)cc1 12415641 KGXDBRJKZNSRRX-UHFFFAOYSA-N 353.809 4.229 0 40 FIAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(C(C)(C)C)cc3)cnc12 12460474 GGIDPQUZQCNERJ-UHFFFAOYSA-N 363.461 4.031 0 40 FIAB CC(=O)N(c1nc(COC(=O)C[C@H]2C=CCC2)cs1)c1ccccc1F 12854125 OECJDLZJUIFWKD-AWEZNQCLSA-N 374.437 4.366 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1nc2ccccc2s1 12878087 NCHASTVJOSIWIT-LBPRGKRZSA-N 359.882 4.409 0 40 FIAB Cc1cccc(C)c1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12919349 AYKCRQBGLFSRNK-VAWYXSNFSA-N 362.473 4.194 0 40 FIAB Cc1cc(-n2c(C(F)(F)F)nc3ccccc32)nn1C(=O)c1ccccc1 12970621 OEFKKCMGFYGKBW-UHFFFAOYSA-N 370.334 4.238 0 40 FIAB CC1=C[C@@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3ccccc3)nc2N1 13123278 IYQQPSBHAYRHNJ-INIZCTEOSA-N 365.824 4.103 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)OC[C@@H]1CCCN2CCCC[C@@H]12 13425028 QSWYVTSVHDNZFA-BBRMVZONSA-N 372.292 4.180 0 40 FIAB biogenic CC(C)CNC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684863 HJMDFRAXTXKQKQ-UHFFFAOYSA-N 370.518 4.334 0 40 FIAB Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(C)c1 14426312 LBMDRVSKHGWQDB-SFHVURJKSA-N 350.462 4.220 0 40 FIAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 19019500 CKKPZRFNKUPLPH-UFYCRDLUSA-N 374.937 4.238 0 40 FIAB COc1ccc(-c2nnc(Cc3ccncc3)c3ccccc23)cc1OC 19561488 BMPTZBZKGKAHAQ-UHFFFAOYSA-N 357.413 4.300 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc2ncn(C)c2c1 19718683 YCPFYJNFTORILH-UHFFFAOYSA-N 350.809 4.336 0 40 FIAB COc1ccc(Nc2nc(N)c(C(=O)c3ccc(Cl)s3)s2)cc1 19853610 FHGCYTRFJUSPQY-UHFFFAOYSA-N 365.867 4.423 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)c1 20050937 UFONSWLXPLTFLL-SFHVURJKSA-N 355.434 4.276 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1OC 20108927 XAORZXYIKGLBRJ-CABCVRRESA-N 359.491 4.370 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1)c1ccco1 23018472 DTGCCZAFVJUARN-MSOLQXFVSA-N 364.376 4.413 0 40 FIAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCc2ccccc2C1 23236102 PFYFUDNCTZVQJB-UHFFFAOYSA-N 367.449 4.153 0 40 FIAB Cc1ccccc1CN1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 24594982 KHJVRIKYAZYDBC-UHFFFAOYSA-N 365.452 4.107 0 40 FIAB O=C(CCCc1nc2ccccc2s1)N[C@H]1CCOc2ccccc21 25048485 QYRJSRYNSCVXLF-HNNXBMFYSA-N 352.459 4.259 0 40 FIAB CCCc1noc(COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n1 29561574 WFBVHMWPIPTCAQ-UHFFFAOYSA-N 356.809 4.486 0 40 FIAB O=C1CCCc2cc(C(=O)CSc3nc4ccccc4o3)ccc2N1 32321867 SIKDHRWVZOKEEN-UHFFFAOYSA-N 352.415 4.078 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N(C)C)nc1 32883904 FMPABBHJBIYYOL-UHFFFAOYSA-N 374.803 4.156 0 40 FIAB COCc1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32924762 JJAZXWRFHBCDLB-UHFFFAOYSA-N 366.392 4.089 0 40 FIAB CC(=O)c1nnc(-c2oc3ccccc3c2C)n1Nc1ccc(F)cc1 36649161 HOJHGJVLFQJXOO-UHFFFAOYSA-N 350.353 4.217 0 40 FIAB CC(C)c1cccc(NC(=O)CS(=O)(=O)Cc2cccc(Cl)c2)c1 40105981 FFPYEJPWYHKEAB-UHFFFAOYSA-N 365.882 4.017 0 40 FIAB Cc1ccc(NC(=O)N(C)Cc2cc(=O)[nH]c3ccccc23)c(Cl)c1 41077090 OGZCWTLYOHLVQM-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB CC(C)C[C@@H]1N[C@H](C(=O)NC(C)C)Cc2cn(CC3CC3)c3cccc1c23 49171544 KRZJWUOZZYCKMM-PMACEKPBSA-N 367.537 4.177 0 40 FIAB biogenic,in-vitro Cc1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)c(Cl)c1 51354030 XIWJJRYBOSSEAH-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB C[C@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nnc2ccccn12 56269504 ARKJMROKBHCXLA-AWEZNQCLSA-N 360.392 4.026 0 40 FIAB COc1ccccc1CN1COc2c(cc3c(C)c(C)c(=O)oc3c2C)C1 58090599 VJEDMANLLAYGJX-UHFFFAOYSA-N 365.429 4.079 0 40 FIAB biogenic CC(C)c1nc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cs1 58377345 KKBIMPDCBXSEFD-SUMWQHHRSA-N 357.479 4.012 0 40 FIAB CC[C@H](NC(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1cccc(Cl)c1 65564651 CTVWMLMUWCWGEF-ZBFHGGJFSA-N 362.861 4.072 0 40 FIAB C[C@@](O)(CN1CC[C@H](Nc2ccccc2)C1)c1cccc(C(F)(F)F)c1 70009398 JTDMWLQTBXHRFN-RBUKOAKNSA-N 364.411 4.099 0 40 FIAB Nc1ccc2nc(-c3cc(I)ccc3Cl)oc2c1 70461437 WRDWYSPBUSEMLS-UHFFFAOYSA-N 370.577 4.335 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356057 IWBAFRJKQBUNPE-JOCHJYFZSA-N 371.484 4.396 0 40 FIAB COc1cc(NC(=O)c2cccc3c2ccn3C)ccc1-n1nc(C)cc1C 79490444 UHSRHQGALUBCQP-UHFFFAOYSA-N 374.444 4.242 0 40 FIAB Cc1c(CNC(=O)NC2CCCC2)sc2nc(-c3ccc(F)cc3)cn12 90593875 YNKREQWATWSABE-UHFFFAOYSA-N 372.469 4.252 0 40 FIAB CC(C)n1ccc2ccc(C(=O)Nc3ccc(Cn4cncn4)cc3)cc21 95477427 JCOBZUYLIQIVIT-UHFFFAOYSA-N 359.433 4.114 0 40 FIAB O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)c2c(ccc3nsnc23)N1 96232074 XMHKWWFVLINYJP-JTQLQIEISA-N 365.336 4.064 0 40 FIAB CCc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211475 WYZXPYZTPRVXNL-UHFFFAOYSA-N 372.428 4.406 0 40 FIAB Cc1ccnn1C[C@@H](C)c1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1 100775944 ZPBZKZOGIWJTGA-GFCCVEGCSA-N 367.840 4.064 0 40 FIAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)cc1 101276847 HEQBEOUJLBVXPZ-CYBMUJFWSA-N 369.635 4.391 0 40 FIAB COC(=O)c1ccc(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 102412994 HOXDCKHEUZQWJD-SNEKZUEESA-N 362.853 4.094 0 40 FIAB CN(C)C[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Br 211354063 OYYMRUNBKWKYBX-MSOLQXFVSA-N 362.267 4.030 0 40 FIAB Cc1cc(OCC(=O)NCCOc2ccccc2Cl)cc(C)c1Cl 224258769 YWLCTFNMDKGBLU-UHFFFAOYSA-N 368.260 4.184 0 40 FIAB Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(Cl)c2)cc1 225313180 HQULXPORZONIHD-UHFFFAOYSA-N 372.877 4.318 0 40 FIAB Cc1cc(NC(=O)c2cccnc2O[C@H]2CCSC2)c2ccccc2n1 225727037 BEOPZKSACKQFID-AWEZNQCLSA-N 365.458 4.075 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3cccc4ccccc34)n2)c1 225822909 YMVHLNBKWLADGE-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 244339934 XSYGRMVKZVUOKB-LJQANCHMSA-N 364.489 4.365 0 40 FIAB NC(=O)COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 408557492 OEXGUZFFKNYVHR-UHFFFAOYSA-N 359.640 4.123 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)C1=O 409094574 DYXGJURYPTYPCP-MHWRWJLKSA-N 371.414 4.098 0 40 FIAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 409341722 FQSNJWUVPUTEPM-UHFFFAOYSA-N 353.871 4.492 0 40 FIAB Cc1ccc(CNCCc2cn3cc(Br)cc(C)c3n2)s1 546055034 DOCCXKOVSMGIAT-UHFFFAOYSA-N 364.312 4.107 0 40 FIAB Cc1cc(F)ccc1-c1ccc(C(=O)N2CCCn3nccc32)cc1F 604941879 XKFJMGMCOCKFHM-UHFFFAOYSA-N 353.372 4.187 0 40 FIAB CCN[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 616575864 MPVCQHXWLZYJJL-OALUTQOASA-N 374.525 4.286 0 40 FIAB O=C(c1nccc2ccsc12)N(Cc1ccccc1)[C@@H](CO)C1CCC1 627910307 AXGIGMAXPXACGS-SFHVURJKSA-N 366.486 4.100 0 40 FIAB C[C@@H](C(=O)Nc1ncc(-c2ccccc2)cn1)[C@@H]1OCCc2sccc21 660650278 DXGJYWGMYUTNJR-ACJLOTCBSA-N 365.458 4.094 0 40 FIAB O=S(=O)(NCC(c1ccco1)c1ccco1)c1cccc2ccccc12 675007656 DUAGDTOMMOKDBT-UHFFFAOYSA-N 367.426 4.136 0 40 FIAB CC[C@H](C)Oc1cc(Oc2cccc(Oc3cnccn3)c2)nc(C)n1 1651025140 USVJHHHAELEIOS-ZDUSSCGKSA-N 352.394 4.337 0 40 FIAB CC(C)(C)c1nc2ccccc2n1C1CN(c2nc(C3CC3)ns2)C1 1889191950 ORWZQRSYVCIPJS-UHFFFAOYSA-N 353.495 4.124 0 40 FIAB Cc1ccccc1Cc1nnc2sc(COc3ccc(Cl)cc3)nn12 632557 FNTXIQGTHVXDDM-UHFFFAOYSA-N 370.865 4.317 0 40 FIAB O=C(N[C@H](Nc1cccc(Cl)c1)C(=O)c1ccccc1)c1cccs1 1013822 XPHDBLFLMYDIHR-SFHVURJKSA-N 370.861 4.452 0 40 FIAB Cc1cc(C)c2nc3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 1342963 ZTHKTDJTDZRIIX-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 1346934 BWHGRBALVCHNBE-GOSISDBHSA-N 355.413 4.023 0 40 FIAB CC(C)(SCc1ccccc1)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1742255 ZJJHGRDZZNAIKF-KRWDZBQOSA-N 373.474 4.078 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3cccs3)nc21 2235484 IHQFJQWMCGMFLT-UHFFFAOYSA-N 366.837 4.154 0 40 FIAB COc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 2296119 WDNVUZIOHZOCOI-HXUWFJFHSA-N 356.381 4.015 0 40 FIAB CCCCCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2303499 TUHJYFKSQRLPEO-UHFFFAOYSA-N 371.506 4.438 0 40 FIAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCCN(C)C)cc12 2479340 FNYAPDXDSVIDFZ-UHFFFAOYSA-N 366.461 4.056 0 40 FIAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 3276114 DTOCOLAARZMNBU-UHFFFAOYSA-N 373.623 4.025 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1 3359689 MDESUCWTORRYNR-UHFFFAOYSA-N 364.401 4.325 0 40 FIAB CCOCc1c(C(=O)Nc2ccc(OC)cc2OC)oc2ccccc12 3547235 SAHADZOONFZJAF-UHFFFAOYSA-N 355.390 4.239 0 40 FIAB O=c1/c(=C\c2ccco2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 4472536 YNDJNHQLLTYGME-NBVRZTHBSA-N 370.433 4.231 0 40 FIAB Cc1ccc2c(nc3s/c(=C/c4ccccc4C(F)(F)F)c(=O)n32)c1C 4494332 PEVLMQAPEDGXBO-OQLLNIDSSA-N 374.387 4.093 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 4738618 PGONWZZYJNBDTA-UHFFFAOYSA-N 359.473 4.234 0 40 FIAB CCCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccco1 4861123 RFGSJVDURCSFCY-UHFFFAOYSA-N 370.478 4.377 0 40 FIAB Cc1ccccc1-n1ncc2c1ncn1c(-c3ccccc3Cl)nnc21 5246135 OCOPGOBJUHEUKZ-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1ccc(-c2nc3c(s2)CN(C(=O)COc2ccccc2)CC3)cc1 5452104 JSPDJMBBPIGXPE-UHFFFAOYSA-N 364.470 4.082 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C)n2C2CCCCC2)c1C 5865210 BXQKLTXLABHVSX-UHFFFAOYSA-N 374.510 4.214 0 40 FIAB C[C@@H](Sc1nccn1C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 6370133 VRDXOMXJPCNUNE-SECBINFHSA-N 374.516 4.300 0 40 FIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc1 6394835 XOMVHDNSIJNANH-CFINBHSISA-N 360.866 4.208 0 40 FIAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)cc2)N3)C1 6732661 LIZSWEPDYOETHF-MRXNPFEDSA-N 371.462 4.000 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1 7360869 DYURFBANAPKDQZ-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB COc1ccccc1N1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 7910368 NZYOVTCKTSBPCY-UHFFFAOYSA-N 370.836 4.057 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1 7997329 LGIMITFCMOLDNG-UHFFFAOYSA-N 362.458 4.176 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)C1CCCCC1 9036993 UZLWCVLCEGAELZ-UHFFFAOYSA-N 368.502 4.465 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9134793 XBSXFKYKLWVURK-UHFFFAOYSA-N 362.360 4.365 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)COc3ccccc3Cl)o2)cs1 9454503 JEZRXWZIWIFUIC-UHFFFAOYSA-N 362.838 4.060 0 40 FIAB Cc1cc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c2ccccc2n1 10897751 AZKPLZJYSRFIAL-UHFFFAOYSA-N 356.429 4.001 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCc2ccccc21 11368045 HAOABLOQWDKJNM-UHFFFAOYSA-N 354.356 4.142 0 40 FIAB CCOCc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)ccc1OC 12292827 IRZRZLIXVBHBND-UHFFFAOYSA-N 369.505 4.024 0 40 FIAB C[C@H]1CCc2sc(C(=O)NCCc3cccc4cccnc34)cc2C1 12974887 LPLQBBRPGHJXNR-AWEZNQCLSA-N 350.487 4.394 0 40 FIAB Brc1ccc(-c2nnc(CN3CCc4ccccc4C3)o2)cc1 12980035 ZVXJBHVJQABXHA-UHFFFAOYSA-N 370.250 4.057 0 40 FIAB Fc1ccc(CN(Cc2cccnc2)Cc2cccc3nccnc23)cc1 13569163 GFDFWLCTFXRDHU-UHFFFAOYSA-N 358.420 4.366 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 13710620 CGVHZZRGZJYNRR-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB CCCOc1c(Br)cc(Br)cc1/C=C/C(=O)O 13747781 HCGHPOVIYOECHD-ONEGZZNKSA-N 364.033 4.098 0 40 FIAB CCn1ncc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc21 14205102 QFGHUMYPMDTEAI-UHFFFAOYSA-N 370.456 4.091 0 40 FIAB Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1[C@@H](O)CC(C)(C)C2 16740262 CMGUMHRDJVXOCO-AWEZNQCLSA-N 351.402 4.361 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)CCOc1ccccc1 18073137 GBQXCFOTNQGFHG-UHFFFAOYSA-N 358.488 4.331 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@@H]1c1ccc(Cc2ccc(C)cc2)cn1 19688502 USJOTXBIUZIVKW-HXUWFJFHSA-N 352.478 4.069 0 40 FIAB Cc1cc(C(=O)N2N=C3CC[C@H](C)C[C@H]3[C@]2(O)C(F)(F)F)ccc1Cl 20058522 POGFEXBPRFRREM-DUZHOBMZSA-N 374.790 4.147 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 20111024 GYWKCRADQUQVFG-INIZCTEOSA-N 350.462 4.373 0 40 FIAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(Cl)cc1 22072239 ZRNUXVZIYLKFRE-UHFFFAOYSA-N 351.837 4.451 0 40 FIAB Clc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1 22609105 DFSMJXMVKVSOHB-LJQANCHMSA-N 355.869 4.003 0 40 FIAB CC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1 22620352 WDMSZBJXFVEZBV-FCHUYYIVSA-N 366.505 4.142 0 40 FIAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 24558438 WJBSLZNHZTXVDJ-OAHLLOKOSA-N 358.445 4.082 0 40 FIAB Cc1ccc(N(Cc2ccco2)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 25029804 KDQWIGMOESYBKB-UHFFFAOYSA-N 374.444 4.334 0 40 FIAB COc1ccccc1C(=O)Nc1nonc1-c1ccc(OCC(C)C)cc1 27662990 HNCCYPYKCFRVIR-UHFFFAOYSA-N 367.405 4.032 0 40 FIAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)N(C)Cc1ccccc1 28191016 ALJWRVIKQWODHS-OAHLLOKOSA-N 351.475 4.077 0 40 FIAB COc1ccccc1CN(Cc1cccs1)C(=O)Cc1c(C)noc1C 32551770 DQZFKUXRTGSVFG-UHFFFAOYSA-N 370.474 4.133 0 40 FIAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NC(C)(C)C)cc3)n2)cc1 32579053 RXNCBCGTGWWBMF-UHFFFAOYSA-N 365.433 4.006 0 40 FIAB CC(C)N1CCC(NC(=O)c2cccc3c4c([nH]c23)CCCCC4)CC1 32779940 JHKAVYNMBJZQHZ-UHFFFAOYSA-N 353.510 4.039 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 32924137 WZRYUTQTPYLTFS-MRXNPFEDSA-N 363.461 4.499 0 40 FIAB CC(C)c1nnc(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)o1 38518128 VYDHDVNDJQISLX-UHFFFAOYSA-N 357.498 4.115 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccccc3nc2Cl)C1 40434378 VXFSYVUDPOPFKM-GFCCVEGCSA-N 363.845 4.062 0 40 FIAB Cc1n[nH]c2c1[C@H](c1c(C)nn(-c3ccc(F)cc3)c1C)SCC(O)=N2 44900660 GMUPJMGPRGVMFM-KRWDZBQOSA-N 371.441 4.084 0 40 FIAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Nc2ccccc2)cc1 45010984 JCGHCWCNEOGNPS-UHFFFAOYSA-N 372.490 4.116 0 40 FIAB C[C@@H]1COCCN1C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 46256518 KYWSPEQIVJPJNA-OAHLLOKOSA-N 366.436 4.154 0 40 FIAB O=C(Nc1cccnc1N1CCCC1)c1csc(-c2cccs2)n1 47225883 OJGUWAOHPLGQJR-UHFFFAOYSA-N 356.476 4.119 0 40 FIAB CN(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)c1nccs1 57387303 BLIRTTJNWSDGLR-UHFFFAOYSA-N 355.897 4.187 0 40 FIAB COCCOc1ccc(NC(=O)N[C@@H](c2ccccc2)C2CCCC2)cn1 58157717 RLYDMQPZMQIEMC-FQEVSTJZSA-N 369.465 4.160 0 40 FIAB Fc1cccc(-n2ccc(Cn3c(C(F)(F)F)nc4ccccc43)n2)c1 60279118 AVAYETVLZTUBSO-UHFFFAOYSA-N 360.314 4.428 0 40 FIAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(Br)cc1 63238071 KEFVULYQMJYEOS-UHFFFAOYSA-N 358.157 4.398 0 40 FIAB Clc1ccc(OCCCSc2nncn2CCc2ccccn2)cc1 68275315 UWMHSGAJOLZYEW-UHFFFAOYSA-N 374.897 4.130 0 40 FIAB Cc1ccc(Oc2ccc(C(=O)N3CCN(c4ccccc4)CC3)o2)cc1 72260104 RVXCAOWJIKGMOO-UHFFFAOYSA-N 362.429 4.343 0 40 FIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4cccc(Cl)c4)C3)n2)c1 72369881 XYMSUZGJQPIXCI-MRXNPFEDSA-N 369.852 4.388 0 40 FIAB CCc1nc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)cn2nc1CC 72373381 UPUPODWFEGWRDQ-UHFFFAOYSA-N 363.465 4.045 0 40 FIAB O=C(N[C@H]1COc2ccccc21)N1CCC[C@@H]1Cc1ccccc1Cl 89813880 MFBQUFYQAINBPJ-QAPCUYQASA-N 356.853 4.190 0 40 FIAB Cc1cnn(-c2ccccc2)c1NC(=O)c1ccccc1OC(F)(F)F 95985574 HUNCECSEUKJQGY-UHFFFAOYSA-N 361.323 4.332 0 40 FIAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1C 98211366 NEVIKOGQWGILRX-UHFFFAOYSA-N 372.428 4.461 0 40 FIAB COc1cccc2c1O[C@]1(C)[C@H](C)[C@@H]2NC(=S)N1c1c(C)cccc1C 100889582 XCSDDJUXFMVBBW-DAESXHAQSA-N 368.502 4.493 0 40 FIAB O=C1Nc2ccccc2[C@H]1CCNc1ncnc2sc3c(c12)CCCC3 103101325 VXWXTMYPNIAZDD-CYBMUJFWSA-N 364.474 4.108 0 40 FIAB C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106071772 QBLHKHKWMUHZOG-XSWJXKHESA-N 367.449 4.478 0 40 FIAB Cc1c(-c2nc(-c3ccncc3)no2)cnn1-c1cccc(C(F)(F)F)c1 113739317 DROKXLCBXAAHEN-UHFFFAOYSA-N 371.322 4.312 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1C 222845123 CTCJRBDWSQYHDM-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB COc1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc(OC)c1OC 223401269 LEPYMLFOLKJFAN-HNNXBMFYSA-N 357.450 4.129 0 40 FIAB CC[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)cc1 223441888 VWFXPRRWZGPTBK-HXUWFJFHSA-N 353.462 4.220 0 40 FIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 224953036 IDCOBYARZPWXCC-SFHVURJKSA-N 351.490 4.390 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225153065 QQKCWXBXDJTNTB-UHFFFAOYSA-N 370.474 4.278 0 40 FIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225701688 BUPKFTQBOLQZNR-GOSISDBHSA-N 357.878 4.289 0 40 FIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOC)nc1C 225908348 NTOKSRDEXFXHKR-HXUWFJFHSA-N 366.502 4.119 0 40 FIAB O=S(=O)(O)c1ccc2nc(-c3ccccc3Cl)[nH]c3cccc1c23 226249233 NROUSWXPNPWMDC-UHFFFAOYSA-N 358.806 4.283 0 40 FIAB Cc1cc(NC(=O)c2ccccc2Br)cc2sc(N)nc12 226310538 RZPOSZMWRCIRJZ-UHFFFAOYSA-N 362.252 4.202 0 40 FIAB Cc1ccc(OCCC(=O)N2C[C@@H]3CCCN3c3ccccc32)c(C)c1 516526702 NFHGLIWDTUOQDZ-SFHVURJKSA-N 350.462 4.088 0 40 FIAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1n[nH]c(C2CCC2)n1 524734581 SCSFZZGLEICDLA-MRXNPFEDSA-N 369.856 4.145 0 40 FIAB CC(C)(C)c1cnc(NC(=O)NC2(c3nccs3)CCCC2)s1 525227667 FLWYYUOWORZECA-UHFFFAOYSA-N 350.513 4.488 0 40 FIAB Cc1cnc(-c2nccnc2[C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)[nH]1 585182580 ZEUZGAJSYASKFB-KRWDZBQOSA-N 372.476 4.036 0 40 FIAB CCn1cc(CN(Cc2cc(-c3ccncc3)ccc2OC)C(C)C)cn1 651960108 SAKHZBUHXGAIHI-UHFFFAOYSA-N 364.493 4.384 0 40 FIAB Cc1ccc(-c2nc(CN3CCC[C@H](c4nncn4C4CC4)C3)cs2)o1 678718984 SGUUXRLYGJIBJZ-AWEZNQCLSA-N 369.494 4.018 0 40 FIAB Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)s2)[C@H](C)CO1 683322081 GJIOVGOCBKRZBH-RHSMWYFYSA-N 367.474 4.049 0 40 FIAB CC(C)c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 1308996308 KKHAIUHGZOCMTG-UHFFFAOYSA-N 355.253 4.340 0 40 FIAB CN(C(=O)c1cc(-c2ccc(Cl)cc2)nn1C)c1ccc(F)c(F)c1 1319187140 FXKFVGWEYQOXEJ-UHFFFAOYSA-N 361.779 4.295 0 40 FIAB Cc1csc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)c1 1775965766 GRUOAIPLYDZPIX-UHFFFAOYSA-N 373.522 4.075 0 40 FIAB COc1ccc(CC(=O)NCc2cc(-c3ccsc3)cs2)cc1OC 1888972981 QCCSQJOUOKBLKF-UHFFFAOYSA-N 373.499 4.353 0 40 FIAB O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(Cl)cc1 862976 UZDLDTJIXAQSIN-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB Cc1nnc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)s1 939881 HDFUBUPDXCPNGR-UHFFFAOYSA-N 367.474 4.190 0 40 FIAB COc1cccc(C(=O)COc2cccc(NC(=O)c3ccccc3)c2)c1 993025 MWEMRDFUNPJOON-UHFFFAOYSA-N 361.397 4.209 0 40 FIAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 1013795 SLTLOMWOTUGFPJ-UHFFFAOYSA-N 373.474 4.453 0 40 FIAB Cc1c(NC(=O)COc2ccccc2)cccc1-c1nc2ncccc2o1 1211831 DPJZTTHTFCZZCZ-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB CCOc1ccc(-c2nnc3sc(-c4cccc(OCC)c4)nn23)cc1 2409330 KCVFWDGFKJKOPP-UHFFFAOYSA-N 366.446 4.317 0 40 FIAB CC(C)Cn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 3429203 GNQLEVHUCYWBLV-UHFFFAOYSA-N 352.459 4.028 0 40 FIAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 4611943 SUHTUEZXLKFHAW-WQVCFCJDSA-N 369.486 4.402 0 40 FIAB CCOc1ccc(-c2cnc(NCc3ccc(OC)c(OC)c3)n2C)cc1 4678877 QJJVQCDVJMRDKQ-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB CCCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5027097 MYWNRTUQDMHXNB-NSHDSACASA-N 369.412 4.169 0 40 FIAB CCCC[C@H](CC)CN[C@@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)O 5258190 AQRMKBDWTNVPES-YOEHRIQHSA-N 368.905 4.236 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1OC 5268301 OOAJLLUUVWKNEZ-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB Cc1ccccc1Cn1cccc(C(=O)Nc2cc(Cl)ccc2C)c1=O 5269215 UZQZZCJKLLDGQH-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nccn1C 6369533 YPMMAISJIAYUSQ-UHFFFAOYSA-N 371.506 4.140 0 40 FIAB CCCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 6428062 RHEBJQPNGTYFFS-KAMYIIQDSA-N 367.367 4.178 0 40 FIAB CCN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 6461164 RHZCMVKRHOEBOH-UHFFFAOYSA-N 374.440 4.371 0 40 FIAB Cc1ccc2nc(SCC(=O)N(Cc3ccccc3)C(C)C)[nH]c2c1 6506491 DUSNQWGZZCSRSZ-UHFFFAOYSA-N 353.491 4.401 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)NCc3ccccc3OC)s2)cc1 6764584 XDHVJTBTQBBLGV-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)O[C@@H](C)C(=O)NCc2ccco2)cc1 6850464 ATAKEJJCWARNTI-AWEZNQCLSA-N 369.442 4.178 0 40 FIAB O=C(COc1ccc(F)cc1Cl)Nc1nc(-c2ccccn2)cs1 7182658 JMHHGCDXBKQDBP-UHFFFAOYSA-N 363.801 4.015 0 40 FIAB O=C(c1cn2ccccc2n1)N1CCCC[C@H]1c1nc2ccccc2s1 8013489 NPLPAUQYGQBHFA-INIZCTEOSA-N 362.458 4.311 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3)cc21 8959716 YYFWRFSOMRPNOR-UHFFFAOYSA-N 352.434 4.101 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3Cl)ccc21 9107097 USFLLFSYKPESFY-UHFFFAOYSA-N 360.816 4.421 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 9916991 UXTZFYRWIFEEIC-UHFFFAOYSA-N 361.489 4.038 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(C)cc3)CC2)cc1 9983753 DDLLUYYFLIXZLK-KPKJPENVSA-N 363.457 4.138 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)c3cnn(C)c3C)sc2C)cc1 10189120 LEUHQHVKIFAXIS-UHFFFAOYSA-N 354.479 4.365 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc3cccc(OC)c3o2)c1 10445756 XFSNPTRXXVKZEO-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB O=C(CCS[C@@H]1CCc2ccccc2NC1=O)Nc1ccccc1Cl 12390197 OZHXQTSMTSEMDH-QGZVFWFLSA-N 374.893 4.355 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)nc2ccccc12 12488295 JHWWZZJIPVUNAI-UHFFFAOYSA-N 369.380 4.278 0 40 FIAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ccccc21 12581564 DNRFQWZOCMGVBF-UHFFFAOYSA-N 355.463 4.104 0 40 FIAB Cc1ccc(/C=C/c2nc(SCC(=O)c3cc(F)ccc3F)n[nH]2)o1 12989523 KMUXKOKKPDZHRD-FNORWQNLSA-N 361.373 4.130 0 40 FIAB COc1cccc(N2C[C@H](C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1 13021464 GBSUGZWKXXHAGB-MRXNPFEDSA-N 366.461 4.119 0 40 FIAB Cc1nn(CN(C)Cc2cccc(Cl)c2)c(=S)n1-c1ccccc1 13071918 GLZSDMJGVBRRLO-UHFFFAOYSA-N 358.898 4.455 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1C(=O)NC1CC1 14161752 KQZLLXYUGCOYEW-UHFFFAOYSA-N 371.440 4.202 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3OC)s2)cc1 14168918 GNQQDDLQVOSYOO-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N1CCCCCC1 16070368 NJBMBHYRDWQMJQ-ZDUSSCGKSA-N 368.572 4.166 0 40 FIAB Cc1ccc([C@@H](Cc2ccsc2)NCc2nc3ccccc3n2C)nc1 19215654 SXUODWXEJDGDBS-LJQANCHMSA-N 362.502 4.412 0 40 FIAB Cc1noc(CCC(=O)Nc2ccc3c(c2)nc(C)n3C2CCCCC2)n1 19665196 PLWLQCLVOPRMSL-UHFFFAOYSA-N 367.453 4.113 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccccc1OC 20043907 QZFUAQCRQWCFOD-IBGZPJMESA-N 355.478 4.218 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCc2ccccc21 20049281 KLKTUZCNSHBFLK-HXUWFJFHSA-N 372.896 4.066 0 40 FIAB COc1ccc(SCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 20454775 LOUKXGNMPYVNCK-UHFFFAOYSA-N 355.503 4.269 0 40 FIAB O=c1[nH]c(N2CCCCC2)nc2nccc(-c3cccc4ccccc34)c12 20673499 NXOQTLAXWCDTBM-UHFFFAOYSA-N 356.429 4.129 0 40 FIAB Cc1nc(-c2cccc(NC(=O)COc3ccc(F)cc3F)c2)cs1 23130434 JZXVBKIBMMZXOC-UHFFFAOYSA-N 360.385 4.414 0 40 FIAB O=C(Nc1cccc(Cn2ccnc2)c1)c1csc(Br)c1 25180392 CWYVOFGOWHAKQY-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB O=C(Nc1nc(C2CC2)cs1)c1cc(Cl)c2c(c1)OCCCO2 25561808 GPSVHDTZDVEJTI-UHFFFAOYSA-N 350.827 4.088 0 40 FIAB COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(C)c1 27969631 USCJLFPGPWQZRF-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c(Cl)c1 30860497 PBCYUUZLYZYVCG-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 31171950 OWGSSMVUUWXBLV-UHFFFAOYSA-N 370.493 4.065 0 40 FIAB c1ccc(Cc2noc(CSc3nnc(-c4cccs4)o3)n2)cc1 31650431 ARYMEERFEQIUBI-UHFFFAOYSA-N 356.432 4.064 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)N[C@H](c1cccs1)C1CCCC1 31803972 UOWGRPOHCLREAV-FQEVSTJZSA-N 357.475 4.457 0 40 FIAB COc1ccccc1[C@@H]1c2cc3c(cc2O[C@H](N2CCCC2)[C@H]1C)OCO3 31860840 GUTQDDXXUDZPIR-CUJSYCCXSA-N 367.445 4.006 0 40 FIAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2o1 32097541 QYMXQKGORLABRK-UHFFFAOYSA-N 366.389 4.204 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc2c(cc1Cl)OCCO2 32582223 BPVRUTKRXQYBHJ-UHFFFAOYSA-N 370.792 4.327 0 40 FIAB COc1ccc(CN(C)CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1 32652537 PBHHUZWNKUEEPQ-GOSISDBHSA-N 368.521 4.203 0 40 FIAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 32972137 GQGRZNAQRWPEDO-UHFFFAOYSA-N 354.475 4.008 0 40 FIAB CCOC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 34161081 WWTMPUUHCBEWNV-UHFFFAOYSA-N 352.234 4.087 0 40 FIAB CN(c1ccccc1)c1ccccc1C(=O)Nc1nnc(C2CC2)s1 40128839 CBZJLNGOTBKSFV-UHFFFAOYSA-N 350.447 4.436 0 40 FIAB COc1cc(C)c([C@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)cc1OC 40134339 PRPYATGGFKZFIX-HNNXBMFYSA-N 371.452 4.450 0 40 FIAB Fc1cc(Cl)ccc1-c1nnc2sc(/C=C/c3cccnc3)nn12 40287696 LXMSGEXKMWPIEV-ZZXKWVIFSA-N 357.801 4.211 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccc1F)SCC(O)=N2 44900484 KZXDNLJHHXMKHS-QGZVFWFLSA-N 354.410 4.139 0 40 FIAB CC(C)Cc1ccc([C@H](NCc2cc(=O)n3ccccc3n2)C(C)C)cc1 50275821 UUEUGSHCYDZBEK-HSZRJFAPSA-N 363.505 4.380 0 40 FIAB Cc1nc(C)c([C@H](C)NC(=O)/C=C/c2ccccc2OC(F)F)s1 56022210 JZGJCQPBKLCEBJ-FBOQAHMBSA-N 352.406 4.252 0 40 FIAB COc1ccc(C(=O)Nc2c(Cl)ccc3nsnc23)cc1Cl 59294619 JVFWEGUBZKECHW-UHFFFAOYSA-N 354.218 4.259 0 40 FIAB CN(CCC(F)(F)F)CC(=O)Nc1ccc(Oc2ccccc2)cc1 64635399 CZIZGBKJNOEZNN-UHFFFAOYSA-N 352.356 4.302 0 40 FIAB Fc1ccc(N2CC[C@@H](CNCc3csc(-c4ccco4)n3)C2)cc1 67975844 AMTMSHNNMBTJAB-AWEZNQCLSA-N 357.454 4.158 0 40 FIAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 71946325 NIWMPJLGBVVWCV-DGCLKSJQSA-N 361.338 4.075 0 40 FIAB Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4nccn4C)C3)n2)c1 72350011 XCGHUGOTORLOBB-HXUWFJFHSA-N 360.505 4.094 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72358074 GAGZTUUIMHIIEH-LJQANCHMSA-N 363.486 4.415 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCCSCC2)c1 89981124 ARGRRCUDVOSMQZ-FQEVSTJZSA-N 354.519 4.422 0 40 FIAB CCc1c(C(=O)Nc2ccc3c(c2)COC3)cnn1-c1cccc(Cl)c1 92047365 LSQCUTWPDTZEKV-UHFFFAOYSA-N 367.836 4.371 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@@H](c2cccc(Cl)c2)S1 95475871 VXBPRNYBSCYURF-OAHLLOKOSA-N 363.870 4.480 0 40 FIAB COc1cccc2c1O[C@@]1(C)[C@H](C)[C@H]2NC(=S)N1c1ccc(F)cc1 101390494 SREWWGKHLTUDGE-RWTORFTKSA-N 358.438 4.015 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1C 103716780 WEQJZQYQGCMASN-LJQANCHMSA-N 358.441 4.448 0 40 FIAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 214229058 GJSRJEVRZJZMOZ-LICLKQGHSA-N 373.405 4.079 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)n1cc(C(=O)OC)c2ccccc21 222619930 KROOKYDFRYIDPG-SFHVURJKSA-N 351.402 4.234 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)S1 222636014 CGWOACRLYMMXIH-XPGWFJOJSA-N 360.486 4.462 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2)c(C)c1 223406834 NIVKRAQQUXYSGZ-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCOc1ccccc1CCCNC(=S)Nc1ccc(F)cc1F 225396460 QXCZFJHVKBPIRZ-UHFFFAOYSA-N 350.434 4.283 0 40 FIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccccc1F 225797332 KXGBXBAXWLNOHP-UHFFFAOYSA-N 373.815 4.120 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(O)ncn4)cc3)sc2c1 252538996 NQJJMYIYGMRQMQ-UHFFFAOYSA-N 362.414 4.020 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257210152 BTKUOBNJFJMMDZ-INIZCTEOSA-N 362.857 4.007 0 40 FIAB CC(C(=O)N1CCC[C@@H](c2cnccn2)C1)(c1ccccc1)c1ccccc1 257273524 NGYUGYPABWQERH-LJQANCHMSA-N 371.484 4.189 0 40 FIAB Cc1cccc(N(CC(=O)N2CCCCC2)C(=O)c2csc(C)c2)c1 585083746 FRQCQPGSCWHQNS-UHFFFAOYSA-N 356.491 4.024 0 40 FIAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1ccc2nc(O)oc2c1 669895842 IDEIBHAYJROBBO-UHFFFAOYSA-N 363.348 4.295 0 40 FIAB CC(=O)N1CCC[C@H]1c1noc(C2(c3ccc(C(C)C)cc3)CCC2)n1 1118997106 WJUFMHVRLISCRD-SFHVURJKSA-N 353.466 4.346 0 40 FIAB O=C(NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1)[C@@H](O)C1CC1 1556319836 KVJFXCXJYJMPRM-KRWDZBQOSA-N 366.244 4.173 0 40 FIAB Cn1nccc1[C@H]1CCCCN1C(=O)C1c2ccccc2Oc2ccccc21 1775966632 QKHGFICIPFBJAU-LJQANCHMSA-N 373.456 4.412 0 40 FIAB Cc1nc2cc(NC(=O)c3ccc4nc(C(C)(C)C)cn4n3)ccc2s1 1888928903 LJNVVJYOTAOOPN-UHFFFAOYSA-N 365.462 4.197 0 40 FIAB O=C(COCc1nc2ccccc2s1)Nc1ccc(F)c(Cl)c1 7015085 UCBGZCMGKXDQPZ-UHFFFAOYSA-N 350.802 4.244 0 40 FIAB CC1(C)CN1C(=O)Nc1cccc2c(NC(=O)N3CC3(C)C)cccc12 1684949 YJAKVUGMCVSYPU-UHFFFAOYSA-N 352.438 4.092 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cn2ccnc2)cc1 29027342 AYBWXIRJLKAYOA-UHFFFAOYSA-N 372.472 4.052 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)no2)cc1 3907887 ULHGUDSVAGCOSF-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4082262 VMDWSMDCEKVFLR-OGNUZGJXSA-N 374.521 4.201 0 40 FIAB biogenic Cc1ccc(Nc2[nH]c(=O)c3ccccc3c2C(=O)c2ccncc2)cc1 4095302 VULWHIKGVRPBES-UHFFFAOYSA-N 355.397 4.206 0 40 FIAB COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)c(OC)c1 4313415 NMJFWHJSKKZETL-LIRRHRJNSA-N 374.824 4.127 0 40 FIAB CCCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 7262167 SXQPAUCSKOSFLU-UHFFFAOYSA-N 371.872 4.318 0 40 FIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 7266281 RNQYWXPCABXUJP-INIZCTEOSA-N 370.493 4.286 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)c3cccc(N(C)C)c3)c2cc1Cl 7435762 XMIDXWVOPKLZPN-UHFFFAOYSA-N 371.820 4.178 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)c1ccco1 32726970 SXXDZWVMCKFHJB-IBGZPJMESA-N 360.413 4.190 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)NCC1(c2ccccc2)CC1 21524799 NTBARZIAAKOSCT-UHFFFAOYSA-N 354.500 4.262 0 40 FIAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)[C@H]2C=C[C@H]1C2 102439890 HTZDTCDRIHBIKK-LSOMNZGLSA-N 365.454 4.299 0 40 FIAB O=c1cc(CSc2ccc(C(F)(F)F)cn2)c2ccc(O)cc2o1 22118681 KDDVEIOCTGVRGY-UHFFFAOYSA-N 353.321 4.205 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 724395 KVPSJWTXSINVRS-UHFFFAOYSA-N 371.437 4.493 0 40 FIAB CC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)c1ccccc1 22619166 NIJJTCJVWBEVMY-FCHUYYIVSA-N 366.505 4.142 0 40 FIAB CC1=NN(c2ccccc2)C(=N)/C1=N/Nc1ccc(Br)cc1 111912416 CTBUGESFXMFGEB-ALKJHRAUSA-N 356.227 4.090 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718324 QIPCMHPLEUPUKW-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1F 47409214 WVVOAORPJWNIFN-UHFFFAOYSA-N 357.360 4.028 0 40 FIAB O=C(CSc1nc2ccccc2n1-c1ccccc1)NCc1ccco1 12532211 KRYMPHQCPTWLSA-UHFFFAOYSA-N 363.442 4.027 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 7359745 WUTRHVXWAHVHKS-UHFFFAOYSA-N 361.445 4.212 0 40 FIAB O=C(CCc1cccnc1)N1CCCC[C@@H]1c1nc2ccccc2s1 24386089 KQHPCIRGFWCGOG-QGZVFWFLSA-N 351.475 4.378 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2)c1=O 1391155 LODWTJLGCKMZGY-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB O=C(Cn1cnc2sccc2c1=O)c1ccc(C2CCCCC2)cc1 7495304 RPAFUEOQLLWBMX-UHFFFAOYSA-N 352.459 4.389 0 40 FIAB Clc1cccc(N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c1 7434844 UXEFBKBZWNCLHW-UHFFFAOYSA-N 353.853 4.317 0 40 FIAB O=C(NC1CCN(CCCOc2ccc(Cl)cc2)CC1)c1ccccc1 25829761 ZPHCMOZGOBQBCE-UHFFFAOYSA-N 372.896 4.003 0 40 FIAB COc1cccc(N2CCN([C@H](C)c3ncc(C(C)(C)C)o3)C[C@@H]2C)c1 107534660 CIFDOEARVMJCQO-JKSUJKDBSA-N 357.498 4.252 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 26379304 VQTYJXYYBRGOPQ-CHWSQXEVSA-N 359.857 4.420 0 40 FIAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 3271110 FNCHGZMRNFBQEB-MRVPVSSYSA-N 374.170 4.456 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)cc2F)c1C 7566163 XJHHGGKEFAHJFE-LLVKDONJSA-N 365.788 4.055 0 40 FIAB COc1ccc([C@H]2CCCN2Cn2ncn(-c3ccccc3)c2=S)cc1 12609782 QCBBZNHXWJSGAR-LJQANCHMSA-N 366.490 4.206 0 40 FIAB COc1cccc(/N=c2\scc(-c3ccco3)n2C[C@@H]2CCCO2)c1 12658313 DREAVORMRNQMPK-JVMRMLDLSA-N 356.447 4.230 0 40 FIAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1cccc2ncccc12 10045725 ORIGZSTYETZYFX-UHFFFAOYSA-N 356.381 4.184 0 40 FIAB Cc1cccc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 44837564 RMCAMLJXJQHODH-UHFFFAOYSA-N 370.250 4.424 0 40 FIAB O=C1N[C@H](c2c(Cl)cccc2Cl)Nc2c1cnn2-c1ccccc1 2236986 XOGRRGRVFAARLU-OAHLLOKOSA-N 359.216 4.033 0 40 FIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1csc(-c2ccco2)n1 12741987 KGXLLYOLNBCHAY-UHFFFAOYSA-N 374.491 4.098 0 40 FIAB Cc1ccc(F)c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12990469 DGDOYXVDDOYZFD-UHFFFAOYSA-N 372.484 4.185 0 40 FIAB Cc1nc2cc(NC(=O)CSc3nc4ccccc4s3)ccc2o1 13015467 JZTQRLFJTCAWJX-UHFFFAOYSA-N 355.444 4.477 0 40 FIAB COc1cc2c(cc1OC)CN(C(=S)Nc1ccc(Cl)cc1)CC2 13598650 OUPTWMGEEQIQPM-UHFFFAOYSA-N 362.882 4.112 0 40 FIAB CC(=O)c1cccc(NC(=O)CSc2nc(C)c(C)n2CC(C)C)c1 5151910 ZPJBHRVEZCATSW-UHFFFAOYSA-N 359.495 4.089 0 40 FIAB Cc1ccccc1NC(=O)CCN1C(=O)S/C(=C/c2ccccc2)C1=O 4464132 BKHMMUWCRUUNEH-GHRIWEEISA-N 366.442 4.060 0 40 FIAB O=C(c1cccc(OCc2cscn2)c1)N1CCCc2ccccc21 14189026 JDWJMNKRXJTQRP-UHFFFAOYSA-N 350.443 4.315 0 40 FIAB CCOc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2Cl)cc1 6649363 WMLWGWIOOADARL-UHFFFAOYSA-N 367.276 4.463 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2sccc2C)N2CCCCC2)cc1 6640053 JSGKIAHSSUYVIK-GOSISDBHSA-N 358.507 4.022 0 40 FIAB Fc1cccc([C@H]2C[C@H](c3ccc(Cl)cc3Cl)Nc3nnnn32)c1 6759110 IJTRGPMZGAZHBC-HUUCEWRRSA-N 364.211 4.265 0 40 FIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccccc1)SCC(O)=N2 5769839 BXEUNNJPSJCGFG-KRWDZBQOSA-N 357.479 4.496 0 40 FIAB CN1/C(=C\C=C2\N=C(c3cccs3)OC2=O)C(C)(C)c2ccccc21 4882501 AWPDZECAPLZDCI-RLGXRJJKSA-N 350.443 4.247 0 40 FIAB COc1cccc(CNC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c1 17070054 VLRBKUWKGHJWJY-UHFFFAOYSA-N 364.445 4.199 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nncn1-c1cccc(Cl)c1 5890968 JDFKAJJLSJNKGV-UHFFFAOYSA-N 373.865 4.424 0 40 FIAB Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1F 9335947 HEZKJOXHCJMOMP-UFUQCMIWSA-N 369.827 4.132 0 40 FIAB O=C(NC[C@@H]1CCCO1)N[C@@H](CCCc1ccccc1)c1ccccc1 75572174 SUJVDMIOVGHLDG-SFTDATJTSA-N 352.478 4.229 0 40 FIAB COc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 9836411 YQQQPOWMTCGBLH-UHFFFAOYSA-N 368.458 4.220 0 40 FIAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1ccncc1 72405571 OTOMMFPYEGJASE-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB COc1ccc(-c2ccccc2)cc1CNc1ccc(Cc2nnn[nH]2)cc1 95467770 LXYVAFUOLIVMKM-UHFFFAOYSA-N 371.444 4.078 0 40 FIAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccc(Cl)cc1 22336670 ATBLUOQZDJJSSN-SEJPIABJSA-N 368.908 4.308 0 40 FIAB CCC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408675561 ITWFYSQUUNZPSA-HNNXBMFYSA-N 364.445 4.102 0 40 FIAB Cc1ccc(-c2nc(CN(C)C[C@@H]3COc4ccccc4O3)co2)c(C)c1 36726093 FOJXHUGULUCDBQ-GOSISDBHSA-N 364.445 4.230 0 40 FIAB CC(C)Oc1cncc(C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 513517933 KTFSVLMGFUCMKD-OAHLLOKOSA-N 356.388 4.064 0 40 FIAB Cc1ccc(CSCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 30757210 GCUXFFQICRBTCC-UHFFFAOYSA-N 365.502 4.039 0 40 FIAB O=C(NCCc1csc2ccccc12)c1ccc(NCC2CC2)nc1 1543113379 HQXPABBVJRAKCG-UHFFFAOYSA-N 351.475 4.091 0 40 FIAB O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 223730765 XRMZLNOYPRWFEP-UHFFFAOYSA-N 357.406 4.097 0 40 FIAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F 84563647 BAZPOPNSYQSCME-RDJZCZTQSA-N 353.372 4.201 0 40 FIAB O=C(O)c1csc(CN2CCC(c3cccc4ccccc34)CC2)n1 568404073 CRWLFRDHZAQGMT-UHFFFAOYSA-N 352.459 4.374 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1C 222742309 MOHOEAWYTJWYAK-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1Cl 44946752 SPRHLBYMHAWYGC-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CC1(C)C[C@@H](NC(=O)COc2ccc3c(c2)CCCC3)c2ccccc2O1 224194659 NDHLWUDWPKUNEZ-HXUWFJFHSA-N 365.473 4.363 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1 224758155 JDFXPZAGLGUOLL-SFHVURJKSA-N 368.546 4.221 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(OC)c(C)c1 223346084 SETCEZKGNLEYOT-RDJZCZTQSA-N 357.450 4.047 0 40 FIAB O=C(CCc1nc2ccccc2o1)Nc1ccc(Cc2ccncc2)cc1 224948874 JGWULHOUBWDVRZ-UHFFFAOYSA-N 357.413 4.385 0 40 FIAB COc1ccc(NC(=S)NCCSc2ccccc2)c2cccnc12 225285621 CLWSIZVIEIYRCS-UHFFFAOYSA-N 369.515 4.322 0 40 FIAB Cc1cc(NC(=O)COc2ccccc2Cl)cc(Br)c1O 226243322 OGBOZFUHEPIWTQ-UHFFFAOYSA-N 370.630 4.134 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(OC2CCOCC2)nc1 225711479 VBBQKGRKLBGQOE-UHFFFAOYSA-N 367.232 4.199 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 225438649 QZMORQWDQVULHY-UHFFFAOYSA-N 350.462 4.310 0 40 FIAB CCOc1ccccc1NC(=S)NCCCN1c2ccccc2C[C@H]1C 260737532 LSKBJEHDOMUAKI-MRXNPFEDSA-N 369.534 4.213 0 40 FIAB O=C(NCc1cccc(-c2cccnc2)c1)NC[C@@H]1CCC2(CCCC2)O1 654532323 QRGXXNQGGZRXGX-FQEVSTJZSA-N 365.477 4.040 0 40 FIAB COc1cccc(-c2ccc([C@H]3C[C@@H](NC(C)=O)[C@@H]4CCC[C@H]4O3)cc2)c1 585261179 IJHITKPYBUFDGQ-WBADGQHESA-N 365.473 4.497 0 40 FIAB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccccc2)c1 5613718 LMXTXEAGYCGVIV-UHFFFAOYSA-N 362.882 4.470 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ncoc1-c1ccc(F)cc1 12115100 TXOOIVSTHHFEJB-UHFFFAOYSA-N 366.377 4.252 0 40 FIAB COc1ccccc1-c1cc(C(=O)Nc2cccc(N3CCCC3)c2)no1 12148445 CHYWJKUJQPYUOT-UHFFFAOYSA-N 363.417 4.203 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccco1 13709171 FRSSROQMUZXPTD-HNNXBMFYSA-N 355.459 4.250 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(C)cc1 14082290 UPJSLQCOAQDTBZ-UHFFFAOYSA-N 352.463 4.004 0 40 FIAB Cc1nnc(S/C(=C\c2c(OC(C)C)ccc3ccccc23)C(=O)O)[nH]1 8272156 HYKXYGXWCUQEPT-YVLHZVERSA-N 369.446 4.271 0 40 FIAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S1 8277646 BJOJHSZDPWVCIW-OQLLNIDSSA-N 373.821 4.448 0 40 FIAB Cc1noc(C)c1-c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)o1 1888944473 YZTNNLXYEYQZOU-UHFFFAOYSA-N 369.465 4.319 0 40 FIAB COc1ccc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)[nH]c2c1 31274962 JQNFVGDETZJQOX-UHFFFAOYSA-N 356.451 4.328 0 40 FIAB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccccc2)cc1 1510473 KFXNRGOZFJCVQR-HSZRJFAPSA-N 370.452 4.487 0 40 FIAB CCOc1cccc2cc(-c3nnc(NC(=O)Cc4cccs4)o3)oc12 9169035 ULMOBLABMGNYMK-UHFFFAOYSA-N 369.402 4.124 0 40 FIAB CSc1ccc(CCC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 207989549 XOOLLOJQXDTSIQ-LJQANCHMSA-N 354.519 4.126 0 40 FIAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)c1cc2ccccc2o1 206683834 VMEXSAUXANMORK-GOSISDBHSA-N 353.399 4.099 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N3CCC(c4ccccc4)CC3)c2)n[nH]1 103293842 ITWHMCAYSZUDRC-UHFFFAOYSA-N 361.449 4.192 0 40 FIAB CCCc1noc([C@H](C)OC(=O)c2csc(-c3ccc(C)cc3)n2)n1 40059746 DYRZXUYVDRPXCD-LBPRGKRZSA-N 357.435 4.372 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 1087555 OUJJTXXWMJYZNR-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1366427 KQYUMVFJTRIOAI-UHFFFAOYSA-N 366.436 4.223 0 40 FIAB Cc1ccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c(C)c1 1452574 RAGREMQLIPSXAO-FQEVSTJZSA-N 364.470 4.416 0 40 FIAB O=C(O)N[C@@H](c1ccccc1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 1615968 JGBLEKJGTAQZHB-PMACEKPBSA-N 360.413 4.167 0 40 FIAB CCc1nc2sc3c(N4CCCC4)ncnc3c2c2c1COC(C)(C)C2 2275363 OTAIVOQSECSAFZ-UHFFFAOYSA-N 368.506 4.253 0 40 FIAB CCCCn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 2663107 ZDLYIVANDAFHFV-UHFFFAOYSA-N 370.449 4.311 0 40 FIAB Cc1ccc(NC(=O)Nc2nccs2)cc1NC(=O)Nc1nccs1 3118591 IMILZHRIWSXVBQ-UHFFFAOYSA-N 374.451 4.196 0 40 FIAB CN1CCC(N(C)Cn2c(=S)n(-c3ccccc3)c3ccccc32)CC1 3244558 VECKYBHKCMXRLF-UHFFFAOYSA-N 366.534 4.145 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1CCOc1ccc(Cl)cc1 3338446 ABAAQLSYMGYURQ-UHFFFAOYSA-N 359.834 4.081 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccc(F)cc2)CC1 4299516 VWSZXJFUIBOBES-UHFFFAOYSA-N 361.848 4.219 0 40 FIAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 4854489 FSLNBGXADMTTQG-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB O=c1[nH]c2ccc(NCc3cccc(OCc4ccccc4F)c3)cc2[nH]1 4973824 QLCZKEHNBFXWHS-UHFFFAOYSA-N 363.392 4.186 0 40 FIAB CC[C@@]1(CN2CCCCC2)COc2c(Br)cc(C)cc2C1=O 5469165 UEIBHXXTWOQDDB-GOSISDBHSA-N 366.299 4.215 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(F)cc1F)CO2 5516215 NQSZRMWDQFNMQM-UHFFFAOYSA-N 369.367 4.225 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 5578047 DNKHBTREYGYGSF-JTQLQIEISA-N 368.216 4.406 0 40 FIAB Cc1cccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1 6478632 DFNRUOPOENONAC-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB Cc1cc(C)c(C(=O)CSc2nc(-c3ccccc3)cn2N)cc1C 6566835 KEYUATXUTXLQDB-UHFFFAOYSA-N 351.475 4.164 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Oc2cc3c(C)cc(=O)oc3cc2C)cc1 6923085 TXWIMNKFEIRVKY-OAHLLOKOSA-N 351.402 4.124 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COc1cccc(C(F)(F)F)c1 7263876 MEKSMEVBQSJFPE-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1Br 7405568 CRJVDIXUAUYTLX-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB COc1cccc(-c2nc(COC(=O)c3cccc(N(C)C)c3)cs2)c1 7436640 XTJWTVUJBNEBLR-UHFFFAOYSA-N 368.458 4.242 0 40 FIAB CCC(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1 8197128 HYNPOHOGBUGKEG-QGZVFWFLSA-N 366.527 4.015 0 40 FIAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccccc2Br)c1 8748782 ADYIMWQQSSXVMW-MDZDMXLPSA-N 359.223 4.059 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)CC(C)(C)C)ccc21 8959089 VZESBLIHAJZCTO-UHFFFAOYSA-N 360.498 4.469 0 40 FIAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C 9164772 DZRCCONCFMYJPM-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB CC(=O)c1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 10167567 TYNGPTUHHOYDNG-OAQYLSRUSA-N 364.470 4.268 0 40 FIAB Cc1oc(-c2cccs2)nc1Cn1nnc(-c2ccc(Cl)cc2)n1 11295909 OKMSFKAFYAPMPQ-UHFFFAOYSA-N 357.826 4.067 0 40 FIAB CCn1c([C@H](CC(C)C)NC(=O)Cc2ccccc2F)nc2cccnc21 12114145 NMJMOSXFAGRSOM-SFHVURJKSA-N 368.456 4.036 0 40 FIAB CSc1cccc(NC(=O)c2cc(O)c(OCc3ccccc3)cn2)c1 12168518 TZQJWJJPSZSAAH-UHFFFAOYSA-N 366.442 4.340 0 40 FIAB Cc1cc(C)c2[nH]c(C(=O)NCc3nc(-c4ccccc4)no3)c(C)c2c1 12202555 SKVATCRDZSOPSI-UHFFFAOYSA-N 360.417 4.073 0 40 FIAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2OC)CCOCC1 12242128 VJCSBNGILORISB-UHFFFAOYSA-N 367.489 4.228 0 40 FIAB COc1ccc(OCc2cc(C(=O)NCc3ccccc3)c(C)o2)cc1 12757594 ZRPCGTQGLNJTMG-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccccc4)cs3)cnc21 12899599 RIQCACOONQCQKY-UHFFFAOYSA-N 363.446 4.388 0 40 FIAB Sc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1-c1cccc2ncccc12 13549518 GLDXCXZFNFHCAK-UHFFFAOYSA-N 370.441 4.161 0 40 FIAB Cc1cc(=O)c2cc(C(=O)Nc3nc(-c4ccccc4)cs3)ccc2[nH]1 13688320 GCEZOTANKZXTGN-UHFFFAOYSA-N 361.426 4.212 0 40 FIAB Cc1sc2nc([C@@H](C)N(C)Cc3ccccc3Cl)[nH]c(=O)c2c1C 14084707 YVEKGNVDMSSLQX-LLVKDONJSA-N 361.898 4.448 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)N2CCc3ccccc32)cc1Cl 16780308 SYDYNGDBCGLXDZ-UHFFFAOYSA-N 372.273 4.144 0 40 FIAB C[C@H](Sc1ccc(N)cc1)C(=O)Nc1ccccc1Br 17072838 KXWQPEKGHMBRQJ-JTQLQIEISA-N 351.269 4.151 0 40 FIAB CCCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 18210412 FUPYVWBFPLDBKE-HIFRSBDPSA-N 366.387 4.073 0 40 FIAB aggregator CC(C)Cc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n(C)n1 19447469 MRRXLTBKZIMCPR-UHFFFAOYSA-N 372.469 4.057 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2noc(-c3ccccc3)n2)c1 21800425 MYVRIVHKXXYQGI-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB Cc1ccc(OCC(=O)Nc2noc(-c3ccc(C(C)(C)C)cc3)n2)cc1 21806597 JDSGDGSBLUSXBD-UHFFFAOYSA-N 365.433 4.360 0 40 FIAB CC(=O)c1ccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 21829978 NPGIYQYLNOLBJI-FQEVSTJZSA-N 357.837 4.189 0 40 FIAB O=C(CCCSc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 24042070 WPIWBMRNYDFCNZ-UHFFFAOYSA-N 372.881 4.432 0 40 FIAB FC(F)(F)c1ccnc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 29525244 XSRPBCWDBFXDHM-LLVKDONJSA-N 350.369 4.447 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1C 32669913 AKCBDWSVKOBXER-LESCRADOSA-N 363.523 4.022 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 32907748 RMCAPZKUZNJJJS-HUUCEWRRSA-N 366.383 4.430 0 40 FIAB Cc1cccc(CN2CCC(NC(=O)[C@H]3CCCc4ccccc43)CC2)c1 32936027 ITLPQNWPEUVVCT-QHCPKHFHSA-N 362.517 4.196 0 40 FIAB O=C(O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)c1cccs1 35289439 RRONFLZBSOVUHK-GOSISDBHSA-N 369.417 4.102 0 40 FIAB COc1cc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)ccc1O 35622696 SFJIVSXXTYATNE-UHFFFAOYSA-N 360.417 4.471 0 40 FIAB O=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 36585210 XGQJJHMAEVRMPC-UYWIDEMCSA-N 351.494 4.114 0 40 FIAB Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3ccccc3)c12 36618451 MTUVQHGLIPTWQJ-UHFFFAOYSA-N 373.368 4.179 0 40 FIAB Cc1ccc(NC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1C 38489575 XUKDMNOFGLGFHP-UHFFFAOYSA-N 351.494 4.337 0 40 FIAB COc1cc(NC(=O)NCc2ccc(F)c(C)c2)c(OC)cc1Cl 40103655 MJRRHFLKVXVOOW-UHFFFAOYSA-N 352.793 4.126 0 40 FIAB CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2ccsc2)c(C)n1 40110542 XAPUMUKUVXFHNT-MRXNPFEDSA-N 361.536 4.173 0 40 FIAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN(Cc2c(C)noc2C)CC1 40139320 IPCIYKAWWAXOQK-FQEVSTJZSA-N 370.493 4.240 0 40 FIAB CC(C)(C)c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)o1 42570416 SNVSZIFMMBNLET-UHFFFAOYSA-N 350.831 4.363 0 40 FIAB CN(C(=O)CSc1nc(C(F)(F)F)nc2ccccc12)C1=CCCC1 42699562 MSJUOZIGFJQPHN-UHFFFAOYSA-N 367.396 4.267 0 40 FIAB CCOc1ncccc1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 48207795 JSIYYHSLMWPINP-AWEZNQCLSA-N 366.421 4.033 0 40 FIAB CC(C)(CNC(=O)c1cccnc1S)c1ccc(Cl)c(Cl)c1 51467381 QFNPZSKMKUUJPA-UHFFFAOYSA-N 355.290 4.385 0 40 FIAB COc1cc(C(=O)N2CCSc3ccccc32)ccc1OC(F)F 57337784 XGPKYKDABIYZKX-UHFFFAOYSA-N 351.374 4.049 0 40 FIAB O=C(Nc1nc(C2CC2)cs1)C1(c2ccc(Cl)cc2)CCOCC1 57339103 ZWGWUIOQQFGHND-UHFFFAOYSA-N 362.882 4.361 0 40 FIAB O=C(NCc1ccccn1)c1cc2ccccc2n1Cc1ccccc1F 58356405 DRJUQPKPXGBWDW-UHFFFAOYSA-N 359.404 4.154 0 40 FIAB CC(C)Oc1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1 65185481 ABKBDIONNVOGHV-UHFFFAOYSA-N 362.389 4.165 0 40 FIAB CS(=O)(=O)/N=C(\O)c1ccccc1Oc1ccc(Cl)cc1Cl 65484552 MBCLLDTTZWBLBZ-UHFFFAOYSA-N 360.218 4.050 0 40 FIAB COc1nc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc2ccccc12 65543105 ZKHFRDBDDMNXMT-OAQYLSRUSA-N 369.424 4.158 0 40 FIAB Cc1ccc2cc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)oc2c1 67339769 ZSYYRCMNQJELSD-CMDGGOBGSA-N 362.429 4.230 0 40 FIAB CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 69029382 LHYDFRXIQVUWBU-INIZCTEOSA-N 360.454 4.151 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](c2ccc(C(=O)O)cc2)S1 71285608 KUJHIQCSMKNAKM-HNNXBMFYSA-N 357.435 4.288 0 40 FIAB C[C@H]1[C@H](C(=O)O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 79041910 NRSJXNCIMCCZPV-LSDHHAIUSA-N 365.429 4.121 0 40 FIAB CCOC(=O)[C@H]1C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32 205510722 UJAQRLRRCXIJFW-CBQOVEMMSA-N 352.478 4.239 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1Cl 222853595 ZZIODNRKESRUFG-CQSZACIVSA-N 372.852 4.181 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc2ccccc2c1 223622635 IJZRZMVEDYBTCL-NRFANRHFSA-N 367.420 4.332 0 40 FIAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1Cl 223825959 DRCFYTULRKTUQO-UHFFFAOYSA-N 367.854 4.051 0 40 FIAB COc1ccc(OCc2cc(C(=O)NCCC(C)C)ccc2OC)cc1 224270598 WWERTVDTOJZLLF-UHFFFAOYSA-N 357.450 4.059 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)[nH]1 224416388 ZKGMQCDTPKXONO-ZWKOTPCHSA-N 352.438 4.034 0 40 FIAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224653721 DNOHEGJSVZIIEE-UHFFFAOYSA-N 373.396 4.238 0 40 FIAB CCC[C@H](C)NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224880771 IVGSVVNEMUXLDH-LBPRGKRZSA-N 365.271 4.342 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225112039 PBAZGMUXMGFGBH-KRWDZBQOSA-N 370.474 4.187 0 40 FIAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1ccc2c(c1)OCO2 225625320 YHLZYQUJWWTIQB-UHFFFAOYSA-N 373.368 4.179 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3C)s2)cc1 225847558 CUNLWVVZIYAGIR-CQSZACIVSA-N 353.447 4.228 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cn1 225871155 HUESAFBHUDHXRN-UHFFFAOYSA-N 354.450 4.330 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1 226322724 FEGKXWPQGDMYHZ-KPKJPENVSA-N 353.418 4.099 0 40 FIAB COc1ccccc1[C@H]1C[C@](C)(NC(=O)C(C)C)[C@@H]2CC[C@@H](C)C[C@H]2O1 257211930 CBCZTCOQFDPSHL-HLFOTMJVSA-N 359.510 4.492 0 40 FIAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2)cc1 408699031 QZAOAISNLHIHFW-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB COCc1ccccc1/C=C(\C)CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 509966132 FDNHDIDFBBDNCR-MOKGIYGOSA-N 364.489 4.472 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1sccc1C 520440290 PCUJTDXBXUOYGW-CYBMUJFWSA-N 366.914 4.486 0 40 FIAB O=C(N[C@H]1CCc2sc(Cl)cc21)c1c[nH]nc1-c1ccccc1F 555110988 BQKXPTREJSRERQ-ZDUSSCGKSA-N 361.829 4.348 0 40 FIAB CCc1ccc(C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c(O)c1 684499259 GRSCCIVSCICXRQ-UHFFFAOYSA-N 363.461 4.090 0 40 FIAB C=CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)cc1 1155365727 SFEHNVHFDHWCCK-UHFFFAOYSA-N 368.864 4.484 0 40 FIAB CN(C)c1cccc([C@H]2CCCN2C(=O)Cc2cncc3ccccc23)c1 1565817508 PRZSHYBWJMYPDZ-JOCHJYFZSA-N 359.473 4.207 0 40 FIAB CO[C@H]1C[C@@H]2CN(CC3CCC3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242860 WFLDIUVWCXCOEG-UDKICSLYSA-N 353.510 4.043 0 40 FIAB COc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c(OC)c1 11071746 PEDFXMJKLQJVAX-UHFFFAOYSA-N 362.429 4.115 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)c(C)c1 1314002 QPFJOXZHDMKGJQ-UHFFFAOYSA-N 350.443 4.289 0 40 FIAB Cc1nc(SCC(=O)N(C(C)C)C(C)C)c2c(C)c(C)sc2n1 1340319 QVPLQSIVKZPAKJ-UHFFFAOYSA-N 351.541 4.354 0 40 FIAB CCOC(Cn1c(COc2ccc(OC)cc2)nc2ccccc21)OCC 1470593 PHHDSVFGGBBDEZ-UHFFFAOYSA-N 370.449 4.023 0 40 FIAB Cc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502939 NWOMIQVILZXIQQ-OAQYLSRUSA-N 364.470 4.310 0 40 FIAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1cccs1 3366549 LBOXCIONYZUFIM-UHFFFAOYSA-N 366.817 4.224 0 40 FIAB O=C(Cc1cccs1)N1CCN=C1SCc1ccccc1Cl 4120286 NPFFPPBWQMOXRD-UHFFFAOYSA-N 350.896 4.076 0 40 FIAB O=C(NC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)C1CCCCC1 4888487 FXFQINQSVVWHEH-UHFFFAOYSA-N 363.889 4.033 0 40 FIAB COc1ccc(C(=O)COC(=O)c2cccc(-n3cccc3)c2)cc1Cl 6590750 BJDNSSZTCUJTCI-UHFFFAOYSA-N 369.804 4.179 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1C 7236441 XXTKDEMEVNYPSY-LBPRGKRZSA-N 366.446 4.228 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 7792223 QJJPHSDIJRRWLI-RUDMXATFSA-N 350.201 4.432 0 40 FIAB COc1ccc(OCc2nnc(SC(C)C)n2-c2ccccc2F)cc1 8751802 AMVGIPVZQZVDCD-UHFFFAOYSA-N 373.453 4.495 0 40 FIAB C[C@@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 32841390 JVCBOFCEETXWSU-MRXNPFEDSA-N 351.446 4.147 0 40 FIAB CCCOc1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 29764421 UMMAUVMRTJQCFI-FQEVSTJZSA-N 364.445 4.378 0 40 FIAB O=C(O)[C@@H]1CC=CC[C@@H]1c1nnc(CSc2ccc(Cl)cc2)o1 32937974 YTOYVXIOHPTPQD-QWHCGFSZSA-N 350.827 4.150 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)no2)cc1 21800533 WOUVHOKJDDXKJC-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCc1ccccc1 58436497 YYQMICOSQLYZFL-UHFFFAOYSA-N 350.384 4.480 0 40 FIAB COc1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1Cl 678750 URNKXAVANRVZBX-UHFFFAOYSA-N 372.856 4.376 0 40 FIAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCSc2ccccc21 23228208 DCGIFYFBLDMZBU-GOSISDBHSA-N 369.486 4.387 0 40 FIAB CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 22234389 ZDRFZWVJYHWBIP-UHFFFAOYSA-N 371.234 4.036 0 40 FIAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1Cl 12550098 ADSAPRSVCGBUGS-HNNXBMFYSA-N 369.852 4.090 0 40 FIAB CCOc1cc(C(=O)N2CCc3ccccc32)cc(OCC)c1OCC 1456481 FCXSDWJELDMTRL-UHFFFAOYSA-N 355.434 4.086 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)o1 12548920 AAJZWZQNSMYFRB-NVXWUHKLSA-N 372.896 4.338 0 40 FIAB Cc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c2c(C)noc2n1 55868814 GJDJXUOTJXPUFN-AWEZNQCLSA-N 363.339 4.263 0 40 FIAB Cc1cccc(NC(=O)[C@]2(C)CC2(Br)Br)c1C 2083667 NRCMJPPGCPQXLQ-LBPRGKRZSA-N 361.077 4.138 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)c(C)c1 58165915 HFYXOEVGJOSSMB-UHFFFAOYSA-N 374.487 4.140 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1cccc2ccccc12 10218119 ZTGJBJWRBHRKEE-UHFFFAOYSA-N 369.468 4.286 0 40 FIAB O=C(COC(=O)c1ccccc1Br)c1cc2ccccc2o1 3254296 OQBMMLWOTRSNPG-UHFFFAOYSA-N 359.175 4.235 0 40 FIAB COc1cc(CCC(=O)OCc2ccc(Cl)cc2)cc(OC)c1OC 3259621 ZWZVKUUFWIFPIJ-UHFFFAOYSA-N 364.825 4.042 0 40 FIAB Brc1ccc(-c2nnc3sc(-c4ccsc4)nn23)s1 44916699 ALLLWHDPOXTAOG-UHFFFAOYSA-N 369.294 4.405 0 40 FIAB Cc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 2257980 OGLFUEAGRLLWOQ-UHFFFAOYSA-N 374.444 4.420 0 40 FIAB Nn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 2393456 NZWGWJZRRKMENP-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB Cc1cc2ncn(C[C@H](O)CO[C@@H](C)c3ccc(Cl)cc3)c2cc1C 3334870 LPIAIIBCPVUIQU-YJBOKZPZSA-N 358.869 4.445 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144140 VOECPDLXVQCJNG-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB CC(=O)c1c(C)nc(C)nc1SCc1noc(-c2ccc(Cl)cc2)n1 12853950 HKUFGNZSXBVPCX-UHFFFAOYSA-N 374.853 4.292 0 40 FIAB Cc1cccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 13002173 FNXUKCCVNDVDKZ-MRXNPFEDSA-N 366.486 4.390 0 40 FIAB O=c1ccc(C(F)(F)F)cn1CCOc1ccc(Cl)cc1Cl 7976608 FULAGPLWRWHWSQ-UHFFFAOYSA-N 352.139 4.253 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C 408603729 GXPUHGUGTGXJPP-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB CCN(CC)CCCNC(=O)C[C@@H](CCC(C)C)[C@H]1CCOC(C)(C)C1 4086211 OVLXPNIOIDLIFE-UXHICEINSA-N 368.606 4.482 0 40 FIAB biogenic Cc1ccc(F)cc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 64334985 ANGJKWCTVTXQFO-SNVBAGLBSA-N 362.455 4.316 0 40 FIAB COc1cccc(NC(=O)CN(C)Cc2ccc(-c3ccccc3)cc2)c1 8065843 CGCVKANTLLTZIP-UHFFFAOYSA-N 360.457 4.433 0 40 FIAB COc1ccc(CN(C(=O)c2cccc(C)c2)c2ccccn2)cc1OC 28292935 WQCYSDFXGMHWTG-UHFFFAOYSA-N 362.429 4.254 0 40 FIAB Cc1ccc(C)c(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1 4471456 JFXSKXZGEIUYCY-XSFVSMFZSA-N 360.413 4.306 0 40 FIAB COc1cc(N)c(Cl)cc1C(=O)NCc1ccc(Cl)cc1Cl 8486830 BDELOIADBRVQTM-UHFFFAOYSA-N 359.640 4.168 0 40 FIAB C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1cccs1 14181434 LHAMPNJXEVQBNF-XPTSAGLGSA-N 366.895 4.082 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 6609274 QAYBSEMKHGNNCE-SNVBAGLBSA-N 366.918 4.335 0 40 FIAB Cc1ccccc1CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14562080 JWXQNCQFVJXHOW-UHFFFAOYSA-N 372.468 4.149 0 40 FIAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(-c2ccccc2)cc1 5611464 HNRUSSRCRPQDRW-UHFFFAOYSA-N 357.409 4.100 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1Cc1ccccc1 4966518 AOSCZORUYLDQOA-ROUUACIJSA-N 365.473 4.224 0 40 FIAB COc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1 15332226 ASNBGOQBOFEGEW-HNNXBMFYSA-N 359.900 4.086 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)C12CCCCC2 70666474 QYESQEDVDNPDIU-APWZRJJASA-N 356.510 4.252 0 40 FIAB biogenic CCOc1cc2c(cc1NC(=O)CCc1c[nH]c3ccccc13)O[C@@H](C)C2 18238296 OIKUIELQWXABRV-AWEZNQCLSA-N 364.445 4.461 0 40 FIAB Cc1cc2oc(C(=O)Nc3ccc(OC(F)F)cc3)cc(=O)c2cc1C 8915318 GPOQYGDTWJIJTJ-UHFFFAOYSA-N 359.328 4.264 0 40 FIAB Cc1cc2cc(NC(=O)/C=C/c3c(Cl)nc4sccn34)ccc2[nH]1 71804333 OKBLBAXKWXMDCG-SNAWJCMRSA-N 356.838 4.491 0 40 FIAB CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccs2)no1 28189036 UQWCJGZOYWEQER-UHFFFAOYSA-N 359.476 4.182 0 40 FIAB Cc1ccc2[nH]c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1 9846844 KVNQMUJHSVLGRX-UHFFFAOYSA-N 353.853 4.092 0 40 FIAB Cc1nnc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c2ccccc12 29525834 BVGGFZJRZVIJEM-UHFFFAOYSA-N 374.488 4.024 0 40 FIAB O=C(C[C@H]1OCCc2ccccc21)NCc1ccc(Oc2ccccc2)nc1 95397461 LYMUSERATURYAW-OAQYLSRUSA-N 374.440 4.194 0 40 FIAB Cc1nnc(-c2cccc(Nc3ccnc(Cc4ccc(F)cc4)n3)c2)n1C 1559144507 NUVTXVWKXXKNDH-UHFFFAOYSA-N 374.423 4.054 0 40 FIAB CC(C)(Cc1nc(-c2cccnc2OCC(F)F)no1)c1ccccc1 546553097 HTOVXKDZVVBYHQ-UHFFFAOYSA-N 359.376 4.296 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408642362 OFTGTDWWFAHDQF-HNNXBMFYSA-N 364.832 4.485 0 40 FIAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(-c3cccc(CO)c3)n2)C1 72349635 AGJZYQNJJPPKCR-FQEVSTJZSA-N 364.489 4.137 0 40 FIAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)c3cccnc3)n2)cc1 72357793 XZGFCEIILGLMRN-JOCHJYFZSA-N 357.457 4.353 0 40 FIAB O=C1C[C@@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 66089623 HOTGSCWPCSPMJT-MRVPVSSYSA-N 359.300 4.241 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1C 223559882 CNXMHPSSTMVCIE-OAHLLOKOSA-N 353.871 4.087 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224135379 JFXSVYUYBMSPAH-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CN1N[C@@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S 225351389 BUAIKZGLIBZHFY-QFIPXVFZSA-N 359.498 4.074 0 40 FIAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)s1 46600791 BCABYUACSGVRAS-STQMWFEESA-N 371.506 4.371 0 40 FIAB CC(C)N1c2sc(-c3ccsc3)nc2C[C@@H]1C(=O)NC1CCCC1 96146749 NNAWIJKMCUDSKS-OAHLLOKOSA-N 361.536 4.070 0 40 FIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc2[nH]ccc12 95472191 ZINHQIBINZXSNE-UHFFFAOYSA-N 366.808 4.443 0 40 FIAB O=C(C1CC1)N1CCCc2ccccc2[C@H]1c1ccnc(-c2cccnc2)c1 96087163 YWHBFSZYTIUKAU-HSZRJFAPSA-N 369.468 4.418 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2cccc(-c3ccc(C(=O)O)cc3)n2)CC1 257285804 PIYJCJMMQBYZJO-UHFFFAOYSA-N 366.461 4.199 0 40 FIAB COc1cccc([C@@H](OC)C(=O)NC(C)(C)c2nc3ccccc3s2)c1 585124034 ACSNXBMWVWTURU-QGZVFWFLSA-N 370.474 4.044 0 40 FIAB N[C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(-c4ccccc4F)s3)C2)C1 650706803 SOWKFFSQKQLNQZ-JXXFODFXSA-N 374.525 4.273 0 40 FIAB CCC1(CNC2CC(CF)(CF)C2)CCN(Cc2ccccc2)CC1 657930487 OHEOYCRGJVQNQY-UHFFFAOYSA-N 350.497 4.356 0 40 FIAB CCC[C@H](NC(=O)N1C[C@H](C)[C@@](C)(CO)C1)c1cccc(C(F)(F)F)c1 663936331 RRNWVAHAEAXLFF-QANKJYHBSA-N 372.431 4.207 0 40 FIAB COc1ccc(-c2nn3c(CSC(C)C)nnc3s2)cc1Cl 1776110988 FZWVABWCRQJAQN-UHFFFAOYSA-N 354.888 4.156 0 40 FIAB O=C(Cc1cccc(Br)c1)Nc1ccc(Br)cc1 50040991 PJMVRVHXCCXAGJ-UHFFFAOYSA-N 369.056 4.393 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCSc2ccc(F)cc2)c1 5363946 RTKXHOIZTXWBEI-CQSZACIVSA-N 361.438 4.187 0 40 FIAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1C 12143811 ZXZWNSUNMVGFCM-IBGZPJMESA-N 363.461 4.176 0 40 FIAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccccc1 6180886 UDZNLMXFBHIZHM-BQYQJAHWSA-N 363.207 4.135 0 40 FIAB Cc1ccccc1OCC(=O)NCC1(c2ccc([C@H](C)O)s2)CCCC1 225681107 WBONQZXWENJBML-INIZCTEOSA-N 373.518 4.117 0 40 FIAB CCOCc1ccccc1CNC(=O)c1sc2nc(C)nc(C)c2c1C 30177798 NEBACGORQCUTGB-UHFFFAOYSA-N 369.490 4.083 0 40 FIAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1F 7510261 KWXWZQBNIWGPQK-UHFFFAOYSA-N 352.152 4.435 0 40 FIAB O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1N1CCCCC1 20381036 HJTIVTPIUPPXCD-UHFFFAOYSA-N 370.449 4.197 0 40 FIAB O=C(CCc1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165865 SPKLWPJLZXQOQW-WOJBJXKFSA-N 366.461 4.295 0 40 FIAB O=C(NCCc1ccc2c(c1)OCO2)Nc1cccc(Cl)c1Cl 40097557 PTEUEAAWXIKNBX-UHFFFAOYSA-N 353.205 4.086 0 40 FIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@@]1(C)CC1(Cl)Cl 40108444 XFSAJESHDDNTEG-TVQRCGJNSA-N 365.098 4.080 0 40 FIAB CCOc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1 2398669 UIOJSBCTZZKBNP-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Br)c(F)c1 2514571 RXQPDCXZQPJJDI-UHFFFAOYSA-N 362.242 4.415 0 40 FIAB CC(C)Cc1ccc2c(N)c(C(=O)Nc3ccc4c(c3)OCO4)sc2n1 2603023 MZKVZIIDLCTDQI-UHFFFAOYSA-N 369.446 4.058 0 40 FIAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(C)o1 3241195 NQBHRRBDPFMVHF-JTQLQIEISA-N 356.205 4.387 0 40 FIAB C[C@H](NC(=O)COC(=O)c1cccs1)c1ccc(Cl)cc1Cl 3419890 RYXNGKORVZROKM-VIFPVBQESA-N 358.246 4.089 0 40 FIAB COc1ccc(C)cc1-n1nnnc1SCc1c(F)cccc1Cl 3477386 MQUMKOLZPRNQCT-UHFFFAOYSA-N 364.833 4.064 0 40 FIAB COc1cccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)c1 3893188 UVKXAXGEBWSCHQ-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1F 4078313 URNRPUZROIHDBQ-UHFFFAOYSA-N 363.414 4.361 0 40 FIAB CCOc1ccccc1C(=O)N1CCN=C1SCc1ccccc1Cl 4120260 ADNSCVFKEKMUHY-UHFFFAOYSA-N 374.893 4.484 0 40 FIAB NC(=O)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1 4135068 VFYACJCSYZQONO-UHFFFAOYSA-N 370.408 4.302 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 4576040 KZSCVNUMJOIHAD-UHFFFAOYSA-N 360.841 4.260 0 40 FIAB Cc1ccc(OCc2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 4664971 RURZOBBPYUPRAE-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB O=C([C@@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCCCCC1 4745071 LZXILGAYFAYKON-OAQYLSRUSA-N 350.506 4.454 0 40 FIAB CCOc1ccc(-n2ccnc(SCc3ccccc3C)c2=O)cc1 4853187 CKCVHDABDDXCTD-UHFFFAOYSA-N 352.459 4.232 0 40 FIAB COc1cc(-n2c(SC)nc3ccccc3c2=O)c(Cl)cc1Cl 5356960 GZFXOJROZJKTIQ-UHFFFAOYSA-N 367.257 4.423 0 40 FIAB CCCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c1C 5400969 TXKQKSARNHYKBJ-UHFFFAOYSA-N 358.511 4.294 0 40 FIAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 6060587 YPDNCHGKFMNPCT-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB CCCN1C(=O)/C(=N/Nc2ccc(Br)cc2)c2ccccc21 6879408 ZFAWFLQVDQOMOD-CAPFRKAQSA-N 358.239 4.022 0 40 FIAB CCCN(CCC)C(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21 8787317 ADSMJWHUVXKZGJ-UHFFFAOYSA-N 353.441 4.491 0 40 FIAB COc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 9095413 IABJVZSIUWHPKB-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)NC2=S)cc1 9189157 FNJYEQXAYRUCQD-LFIBNONCSA-N 358.850 4.001 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 9337640 FPBBFOZFVIOHLE-UHFFFAOYSA-N 350.374 4.183 0 40 FIAB CCCSc1nsc(NC(=O)c2oc3ccc(OC)cc3c2C)n1 9884077 SXBJBCHZZMVNMD-UHFFFAOYSA-N 363.464 4.356 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OCC(F)(F)F)cc2)cc1 11712210 AZYBFHHRTRTGMY-ZDUSSCGKSA-N 352.356 4.375 0 40 FIAB CCc1ccc([C@@H](O)CSc2nnc(-c3ccccc3F)n2C)s1 12816658 GSGISKJVHLOCMX-AWEZNQCLSA-N 363.483 4.071 0 40 FIAB CCc1c(C(=O)c2ccc(S(C)(=O)=O)cc2)oc2ccc(Cl)cc12 12865842 PFSIOWWLLNWHOX-UHFFFAOYSA-N 362.834 4.283 0 40 FIAB O=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(Cl)c1 12872265 OXDQBPKBMYRLBF-UHFFFAOYSA-N 353.205 4.086 0 40 FIAB Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nn2-c2ccccn2)cc1 12970550 XHWKEOVWJKTSTG-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB CCOc1ccc(-c2nc(N)nc(C)c2-c2ccc(Cl)cc2)c(O)c1 13125491 ORFGEPTUDRQERT-UHFFFAOYSA-N 355.825 4.459 0 40 FIAB COCCCN(Cc1ccccn1)C(=S)Nc1ccc(C(C)C)cc1 13733396 WHAXSKYWFGKAEQ-UHFFFAOYSA-N 357.523 4.441 0 40 FIAB CN(Cn1c(=O)oc2ccccc21)[C@H](c1ccccc1)c1ccc(F)cc1 14197197 CNJAGMWGDYUCMU-OAQYLSRUSA-N 362.404 4.413 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 14197831 OYPPFGPMJPTUII-OAQYLSRUSA-N 366.505 4.013 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 15010126 QHKUPJGACXTXTM-YVLHZVERSA-N 373.405 4.079 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2cccnc12 15840655 CTYKLJLGZRVACP-HNNXBMFYSA-N 350.418 4.266 0 40 FIAB CCOC(=O)CCSc1nc(=O)c2c(-c3ccc(C)cc3)csc2[nH]1 19992713 UEBSKALIJLRVSP-UHFFFAOYSA-N 374.487 4.005 0 40 FIAB Cn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)c2cc(F)ccc21 22236286 DBLLLUSBLTZFLK-UHFFFAOYSA-N 365.191 4.237 0 40 FIAB CCn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(C(F)(F)F)ccc21 22236894 BVWWLKACUKIYKX-UHFFFAOYSA-N 366.383 4.056 0 40 FIAB CN(CC(=O)Nc1ccccc1OC(F)F)Cc1cccc(Cl)c1 24812021 UERSQLHBOGBGCB-UHFFFAOYSA-N 354.784 4.012 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3)c[nH]2)cc1 26128615 SMOAYYHMKKFLKO-ZDUSSCGKSA-N 365.458 4.399 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H](C)[C@H]2Sc3ccccc3NC2=O)cc1 27233106 SAMRIAXKPKZKQJ-SCLBCKFNSA-N 354.475 4.498 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(OC)cc1 30848465 LCYMAPLKXOQNRT-WOJBJXKFSA-N 357.450 4.129 0 40 FIAB CCN(Cc1ncc(-c2ccc(F)cc2)o1)C[C@H]1COc2ccccc2O1 31174657 RKPVUJLFOKZUPC-KRWDZBQOSA-N 368.408 4.143 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)SCc2nc(-c3cccs3)no2)c1 32778887 YVUJBKDRJCTPHZ-GFCCVEGCSA-N 359.476 4.367 0 40 FIAB CC(C)n1ncc2cc(C(=O)OCc3cccc(C(F)(F)F)c3)cnc21 32866005 GLMOPAISJXQKIJ-UHFFFAOYSA-N 363.339 4.388 0 40 FIAB O=c1c2ccccc2nc(/C=C/c2cccc3c2OCO3)n1-c1ccccc1 40139684 FPHLGABKFWZQNR-BUHFOSPRSA-N 368.392 4.285 0 40 FIAB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccsc1 48264377 GPIBGGQWYNAGIK-FOIQADDNSA-N 367.518 4.114 0 40 FIAB CC(C)(O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 60569605 SLNIATUTSVVOQE-UHFFFAOYSA-N 351.541 4.299 0 40 FIAB O=C(NOCc1ccccc1)c1ccc(N2CCc3ccccc3C2)cc1 64023827 UPLANSYTPXIXLT-UHFFFAOYSA-N 358.441 4.111 0 40 FIAB Cc1cc(NC(=O)N[C@H]2CCSc3c(F)cccc32)n(C(C)(C)C)n1 65771637 HQQAPBHWKWRBAP-AWEZNQCLSA-N 362.474 4.444 0 40 FIAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H]1CCC(C)(C)c2ccccc21 78849001 WTRNOIODTXUYNI-DJJJIMSYSA-N 355.482 4.334 0 40 FIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 95067965 RFHAXSOPIVSJNQ-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB Cc1ccc([C@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1 95534178 JZJLEZPLAWROAV-IBGZPJMESA-N 350.466 4.038 0 40 FIAB COc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cc1 96047218 LTWIDCPOJHWSFT-UHFFFAOYSA-N 371.550 4.030 0 40 FIAB COc1cccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)OC)c1 96389986 VYPXQVTZYFPPNJ-JOCHJYFZSA-N 361.441 4.480 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@@H](c2ccc(F)cc2)C1 102656398 ZXCVVLKODHJKBJ-FOIQADDNSA-N 360.392 4.482 0 40 FIAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CCOc1ccccc1 106756848 JOMYGZZMJFGEFN-VBKFSLOCSA-N 359.834 4.455 0 40 FIAB Cc1nc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)c(C)s1 178872431 BBSCSAFOWSYSIA-KRWDZBQOSA-N 356.491 4.418 0 40 FIAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222664141 AVYQVMSOMAIFIC-AYOQOUSVSA-N 353.491 4.460 0 40 FIAB CSc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1Cl 223432501 RWRXRSVXEIYCMY-UHFFFAOYSA-N 362.303 4.194 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1cccc2ccccc12 223551833 HSSZGDBNNOPLNY-FQEVSTJZSA-N 367.420 4.332 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 223698107 MZVZULHACBUXBD-LRYXAPPNSA-N 353.506 4.418 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1CSc1ccccc1 224657884 NUQAPAKDCNNSJQ-HNNXBMFYSA-N 359.491 4.142 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C 225281601 HAHHJZMPCZFTFJ-UHFFFAOYSA-N 366.461 4.272 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)N[C@@H](C)CC 225344827 CEFIYKZRXRJNFP-QWHCGFSZSA-N 373.324 4.425 0 40 FIAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@H](C)C1 225636242 TXRGIEXBGRNBBS-AVRDEDQJSA-N 374.525 4.085 0 40 FIAB C[C@H](CCN1CCc2nc([C@H]3CCCCN3C)ncc2C1)c1ccccc1 248160979 XMIGJZFWLPJIND-XMSQKQJNSA-N 364.537 4.185 0 40 FIAB CC(C)n1ccc(-c2nc(C(=O)NCCc3ccccc3)c3ccccn23)c1 306128331 GXNBZYDDWOQERR-UHFFFAOYSA-N 372.472 4.356 0 40 FIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)/C=C/c1ccco1 408713839 AHCPVAHYRUBSDZ-VAWYXSNFSA-N 365.433 4.299 0 40 FIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC)cc3C)S2)cc1 408771951 JGBSFCWOLZMLBA-SQWSFHKJSA-N 354.475 4.166 0 40 FIAB Cc1cc(C)n(CCCNC(=O)N2CCC[C@@H]2c2cccc(C)c2C)n1 608619040 GBSQQLMOFSMBHD-HXUWFJFHSA-N 354.498 4.054 0 40 FIAB CCc1ccc([C@@H]2CCCCN2C(=O)c2cc3ccccc3c(=O)o2)o1 684738558 CGJFHXWAGKOSRC-KRWDZBQOSA-N 351.402 4.316 0 40 FIAB CCCCC[C@@H](O)/C=C/[C@@H]1[C@H]2CO[C@@H](C2)[C@H]1C/C=C\CCCC(=O)O 1529051508 DJKDIKIDYDXHDD-VLNRKUHFSA-N 350.499 4.336 0 40 FIAB Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)c1 876049 LJYMMURARIMKJF-UHFFFAOYSA-N 372.421 4.380 0 40 FIAB CC(=O)N(c1ccccc1)S(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C 1926281 HTSJWICVYNYAHQ-UHFFFAOYSA-N 359.491 4.343 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C)n2)cc1 2725710 XGKXPBDVIQBWSL-UHFFFAOYSA-N 368.458 4.453 0 40 FIAB O=C(Nc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3192650 GDZUXEKCZUVEGW-UHFFFAOYSA-N 365.412 4.455 0 40 FIAB CCCCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 3205014 KPNUYTFZVTWGPB-HKWRFOASSA-N 367.445 4.118 0 40 FIAB O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 3239365 ZADRZWWPZFSQFJ-DHZHZOJOSA-N 356.328 4.239 0 40 FIAB CC(C)(C)[C@H]1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1 3246124 KFBVOBSSVMIIJU-NSHDSACASA-N 374.535 4.185 0 40 FIAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(F)cc1 3246764 NEAMBBNQVJMJIL-UHFFFAOYSA-N 362.356 4.489 0 40 FIAB CCC(CC)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402263 MTKPJNRNCPEMOM-UHFFFAOYSA-N 374.554 4.177 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2ccccc2)cc1 4119797 DGPPDLNNNMNGMK-UHFFFAOYSA-N 354.475 4.219 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(F)cc2)CC1 4151174 ZYDXZXUWOABECF-UHFFFAOYSA-N 356.485 4.081 0 40 FIAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCC3)cc2c1 4231020 UWARPYIHGBRHNZ-UHFFFAOYSA-N 364.445 4.323 0 40 FIAB O=C1NC2(CCCCCC2)C(=O)N1CCOc1c(Cl)cccc1Cl 4287916 FTEOOLZAWFWQGZ-UHFFFAOYSA-N 371.264 4.017 0 40 FIAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(Cl)cc1 4589080 FQESTTOSKZZBNE-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)on1 4880964 ODKMHLXXLUKFHU-UHFFFAOYSA-N 360.728 4.115 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2cccnc2)o1 5213946 UXPSTXRPMIHTQW-LBPRGKRZSA-N 364.430 4.285 0 40 FIAB C[C@H](O[P@](C)(=O)Oc1ccc(NC(=O)CCC(=O)O)cc1)C(C)(C)C 5515562 NWUFPMJLZOWRPY-VDBVYFBLSA-N 371.370 4.143 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 5980797 YJWILRBQEVZNRV-UHFFFAOYSA-N 365.351 4.426 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1Br 6269406 TYLAFRSNPZVEFT-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB O=S(=O)(NCc1cccc(Cl)c1)c1c(Cl)cccc1Cl 6509973 RNPRIDXDMNEUCW-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)COc3ccc(F)c(Cl)c3)c2C)no1 6790796 QEHMAASXPBEISN-UHFFFAOYSA-N 362.788 4.445 0 40 FIAB COc1cc(SC)ccc1C(=O)Nc1nc(-c2ccccn2)cs1 6831389 OVNGIYWSTZZITH-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6963530 FFSUWKYGGVMWDH-KSMMKXTCSA-N 350.374 4.428 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 7195389 KYUQLKMFULMQMD-HTTKSJEASA-N 363.483 4.060 0 40 FIAB CCCC(=O)Nc1ccccc1NS(=O)(=O)c1c(C)cc(C)cc1C 7360432 HHJYQELHSAUORK-UHFFFAOYSA-N 360.479 4.151 0 40 FIAB CC(C)OCCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 7700406 HSXXAHMQEUJZNY-UHFFFAOYSA-N 361.869 4.464 0 40 FIAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(OC(F)(F)F)cc1 7735547 DPLASFGMEHFAPC-SECBINFHSA-N 355.278 4.388 0 40 FIAB Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)ccc1Br 8076784 FZXDCQZPCWPAIU-UHFFFAOYSA-N 373.250 4.137 0 40 FIAB COC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C 8215063 AINURJNTUULNGA-UHFFFAOYSA-N 361.825 4.069 0 40 FIAB COc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 9422745 LHSOTARAYYYXHS-QFIPXVFZSA-N 374.440 4.471 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 9903443 CXTUDZWKEPDCBV-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB COC(=O)c1c(NC(=O)Cc2cc(C)ccc2C)sc2c1CCCC2 10700766 ZLBKIVMDCCXZES-UHFFFAOYSA-N 357.475 4.212 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)c1ccc(O)cc1O 11263926 XPRHFRBCTGZZFT-UHFFFAOYSA-N 366.442 4.271 0 40 FIAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C)c(Br)cc2C)c1 11613715 SHDASMLLQBCVKY-UHFFFAOYSA-N 368.296 4.484 0 40 FIAB CCC(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 11797103 HGFWUWKSRJWJMN-UHFFFAOYSA-N 368.462 4.330 0 40 FIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccccc2O)cc1)c1ccccc1 12401937 VZYBDFXCRNASIG-OAHLLOKOSA-N 360.413 4.136 0 40 FIAB COc1ccc(CC(=O)Nc2cccc3ccccc23)c(OC)c1OC 12613824 LIYWSECZNXMVPY-UHFFFAOYSA-N 351.402 4.047 0 40 FIAB O=C(NCc1nccc2ccccc12)c1cc(C2CC2)nn1-c1ccccc1 12635791 JJZOGZYHXBSLPP-UHFFFAOYSA-N 368.440 4.228 0 40 FIAB CC(C)N(C(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1)C(C)C 12798854 NZUOWJXAPMSSMQ-MMQHEFTJSA-N 364.540 4.163 0 40 FIAB CCC(CC)NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 12818966 GTJUSWMXUMEEKP-UHFFFAOYSA-N 370.836 4.059 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 13006853 CCNKGIYKGRGJKG-AUUYWEPGSA-N 359.853 4.480 0 40 FIAB CC(=O)c1cc(CCC(=O)Nc2cccc(Br)c2)oc1C 14018106 KUIJRPHQWNKORV-UHFFFAOYSA-N 350.212 4.124 0 40 FIAB Cc1c(-c2nc3ccc(Br)cc3c(=O)[nH]2)oc2ccccc12 14187759 QMGRWWBNEBFGMM-UHFFFAOYSA-N 355.191 4.407 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC(C)C)CCCC1 14190287 KYFGHVUWDFSPSV-UHFFFAOYSA-N 374.525 4.406 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(Br)cc1 14244770 QCAXESMHZCXIQQ-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1cccc(Cl)c1 14676306 VITNPUZGSDNACZ-NSHDSACASA-N 350.875 4.195 0 40 FIAB Cc1cccc(OCCNC(=O)c2sc(C)nc2-c2ccccc2)c1 16492243 QHKMTOQRMMHJNB-UHFFFAOYSA-N 352.459 4.236 0 40 FIAB COc1ccccc1Nc1nc(N)nc(CSc2ccc(C)cc2C)n1 16655649 YMAXJFIOZFSKTN-UHFFFAOYSA-N 367.478 4.115 0 40 FIAB CCCC(=O)N1N=C(c2ccc(C)cc2)Sc2c1ncn2C(=O)CCC 16777664 ITKZYIXKHXTPMG-UHFFFAOYSA-N 370.478 4.232 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)C1 20672984 RIZLTNBPSMVXHG-JTCHDCOHSA-N 361.489 4.417 0 40 FIAB Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1Cl 22235259 QLAKMZNZNHUYPI-UHFFFAOYSA-N 352.821 4.162 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)[C@@H]1C 23055034 QMUCHQGAHUOBNQ-PBFPGSCMSA-N 357.325 4.366 0 40 FIAB C[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccnc1Cl 25482558 PCKOEMFMPYSJNF-VIFPVBQESA-N 359.735 4.073 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1Br 26299165 VMRDFGIKKDHOLO-CQSZACIVSA-N 371.282 4.223 0 40 FIAB O=C(COc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663872 HERTXYUJTAOSLU-FQEVSTJZSA-N 372.896 4.062 0 40 FIAB C[C@H](C(=O)N1CCC(CCc2ccccc2)CC1)n1cnc2ccccc21 31820626 LAWGHSMRSLWXTD-GOSISDBHSA-N 361.489 4.469 0 40 FIAB Fc1ccc(-n2c(SCc3cccnc3)nnc2-c2cccnc2)cc1 35313008 WZERUSUIBVIGAH-UHFFFAOYSA-N 363.421 4.156 0 40 FIAB CCCOc1ccc2cc(S(=O)(=O)n3ccnc3C(C)C)ccc2c1 41095513 MASQHNFEOHJALE-UHFFFAOYSA-N 358.463 4.186 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccsc1)CC(F)(F)F 44447774 UVTPIIPCKIOHIE-UHFFFAOYSA-N 358.341 4.073 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)Cc1c(C)nn(-c2ccccc2)c1C 45887507 JIQQOBDHTCREKS-UHFFFAOYSA-N 365.452 4.219 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 47234476 FIOJRMKMCJLUHE-UHFFFAOYSA-N 364.380 4.155 0 40 FIAB Cc1ccc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c(C)n1 48286515 USNGJXSMNJDFFD-UHFFFAOYSA-N 350.340 4.190 0 40 FIAB Cc1nc(CN(C)C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cs1 58363838 YYXMRFQJBMJREJ-SNVBAGLBSA-N 357.401 4.373 0 40 FIAB C[C@@H](c1ccc2ccccc2c1)N(C(=O)CN1CCCCCC1=O)C1CC1 64313466 SXUZRTZTZSUASA-KRWDZBQOSA-N 364.489 4.294 0 40 FIAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 67296293 YJJSEGJAXNZBSD-FLFQWRMESA-N 359.360 4.452 0 40 FIAB COCc1cc(C)nc2sc(-c3nnc(-c4ccc(F)cc4)o3)c(N)c12 78547557 MTGCTUFGHDACGC-UHFFFAOYSA-N 370.409 4.189 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2C1=Cc2ccccc2O[C@@H]1C 79473286 WAFJPKFCHIXXLJ-PIGZYNQJSA-N 371.462 4.410 0 40 FIAB Cc1noc(C)c1[C@H](C)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(C)C 84023033 LBGULTCZUBGGLN-FVMDXXJSSA-N 370.280 4.078 0 40 FIAB c1ccc(Cn2ncc3c2CCC[C@H]3Nc2cccc(-n3ccnc3)n2)cc1 84544564 IZHVQSKMYJRCSO-LJQANCHMSA-N 370.460 4.002 0 40 FIAB CCCCc1noc(CN(Cc2ccc(N3CCC[C@@H]3C)nc2)C(C)C)n1 89954885 YNVFYURCKCFHIO-KRWDZBQOSA-N 371.529 4.207 0 40 FIAB FC(F)(F)c1ccc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 96245613 VYQLLCDAZLDPDV-KDURUIRLSA-N 360.423 4.269 0 40 FIAB C[C@@H](Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C)C(=O)Nc1ccccc1 100251780 UYHGCPBBCRVDCH-VQZRKKFQSA-N 368.506 4.166 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](CC)c1ccc(OC)cc1 113960784 WQYNQAGGRDUITI-ROUUACIJSA-N 357.450 4.129 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2)cc1 205618836 CDJRCVAPYCVYLP-RGEXLXHISA-N 362.454 4.466 0 40 FIAB Cc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 218939907 OQRZTDQPEPCHHR-QGZVFWFLSA-N 359.853 4.446 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 219056135 AZUSIVDKMDUXKW-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB COc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219306591 BCICXZVYQWHEAX-BEFAXECRSA-N 369.461 4.190 0 40 FIAB Cc1ccc(C)c(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 223155550 JFHGTEYWFLANSI-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223198878 AFZPRAWHORWPGJ-MRXNPFEDSA-N 353.462 4.220 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)SCc2ccccc2)cc1 223413358 JVOBJTUQFNSLGS-KRWDZBQOSA-N 357.519 4.456 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 224432173 UYHKSHWZFYYRKU-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224609587 GXJDRIBKQWUQJW-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224916915 SAPYHIRKQNSHBN-HXUWFJFHSA-N 354.450 4.092 0 40 FIAB COc1ccc(OC[C@H](C)NC(=S)Nc2cccc(Cl)c2)cc1 225264186 HZMRMRZGSFODEU-LBPRGKRZSA-N 350.871 4.103 0 40 FIAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc(-c2ccsc2)cc1 225621602 NOBNQIBQYVHWKV-JOCHJYFZSA-N 363.482 4.443 0 40 FIAB O=C(c1cccs1)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 226245268 GVQWSJGOKWXILH-UHFFFAOYSA-N 371.893 4.155 0 40 FIAB CCOc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1 260735399 HFDYUFFGDPSXQM-MRXNPFEDSA-N 369.534 4.213 0 40 FIAB Cc1ccc(OCCC(=O)N2C[C@H]3CCCN3c3ccccc32)c(C)c1 516526701 NFHGLIWDTUOQDZ-GOSISDBHSA-N 350.462 4.088 0 40 FIAB COC(=O)CCCCC(=O)c1ccc(Br)cc1C(F)(F)F 575362564 YXMIGVYNJBPUED-UHFFFAOYSA-N 367.161 4.384 0 40 FIAB CC(C)[C@@H]1N(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)CC12CCC2 615170242 ZEJQJSDYQMCJPW-HNNXBMFYSA-N 351.372 4.004 0 40 FIAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)N[C@H](C(=O)O)C(C)C 670417851 VCESOIPCXQDTOT-SXYIGIQMSA-N 369.505 4.302 0 40 FIAB C[C@@H](C(=O)Nc1cccc(SC(F)F)c1)n1ccc(C(F)(F)F)n1 1520569742 KKRWUXOKQDTZCH-QMMMGPOBSA-N 365.327 4.416 0 40 FIAB COc1ccc([C@@H]2N(c3cccc4ccccc34)C(=O)N3CCCN23)cc1 636261 MDAHOIJUUWCOSJ-NRFANRHFSA-N 359.429 4.410 0 40 FIAB COc1ccc(/C(=C/c2ccc(Br)cc2)C(=O)O)cc1OC 1077548 JXWLFHCYMPUNFL-ZROIWOOFSA-N 363.207 4.092 0 40 FIAB Cc1sc2nc(C(C)C)nc(SCC(=O)NC(C)(C)C)c2c1C 1340405 ZSPHMNSRTJVYTI-UHFFFAOYSA-N 351.541 4.438 0 40 FIAB Cc1ccc(C(=O)Nc2cc3c(cc2C(=O)c2ccccc2)OCCO3)cc1 1441553 UORZLRDHUCUKCE-UHFFFAOYSA-N 373.408 4.250 0 40 FIAB CCCOc1cc2c(cc1[C@H](C)c1cc(OC)c(OC)c(OC)c1)OCO2 1582412 NAHLVBJKAWKBRU-CYBMUJFWSA-N 374.433 4.382 0 40 FIAB Nc1ccc(-c2nc3ccccc3s2)cc1I 1645207 UZZOZUQVHHJNTR-UHFFFAOYSA-N 352.200 4.150 0 40 FIAB CCOC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)SCc1ccccc1 1733693 VCIDXQUUATUUMK-GOSISDBHSA-N 371.502 4.060 0 40 FIAB O=C1OCC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 2492598 ZKPDEPPSJLBIIL-OAQYLSRUSA-N 357.365 4.046 0 40 FIAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Br)cc1F 2515411 GSAKJSFXJLQJDG-UHFFFAOYSA-N 360.226 4.191 0 40 FIAB COC(=O)c1cc(CSc2nnc(NC3CCCCC3)s2)oc1C 2637275 SNUWAUWLIUQQKR-UHFFFAOYSA-N 367.496 4.263 0 40 FIAB Cc1cccc2sc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)nc12 3449604 GYEIPKBACHQJHT-INIZCTEOSA-N 368.458 4.415 0 40 FIAB COc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 3510435 OLWXWTIDYLOEMD-UHFFFAOYSA-N 370.630 4.129 0 40 FIAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3ccccc3F)C2)cc1 3865004 SZTDMEJNIPHWKA-LJQANCHMSA-N 368.408 4.067 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CCCCC3)o2)c1C 4891555 ORACJGVSCNACQB-UHFFFAOYSA-N 361.467 4.240 0 40 FIAB Cc1cc(C(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)c2ccccc2n1 5355615 LTJOKJLWRBDACF-CQSZACIVSA-N 358.397 4.453 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(Cl)cc1 5538691 CGOJPOXBQXKERN-UHFFFAOYSA-N 355.777 4.343 0 40 FIAB CCN(CC)C[C@H](O)Cn1c(-c2ccc(OC)cc2)cc2ccccc21 5568007 WFIKGFWNMNPRGR-IBGZPJMESA-N 352.478 4.020 0 40 FIAB c1ccc(C2=NN(Cn3nnc4ccccc43)[C@H](c3ccccc3)C2)cc1 5666213 JUYDOKGCNYCPMY-QFIPXVFZSA-N 353.429 4.240 0 40 FIAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1C1CCCCC1 5865924 BNPJCHIUMGWWGT-GFCCVEGCSA-N 362.474 4.350 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c1 6200882 UWMCGZOJWQVHRM-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1 7552555 PWSKYDAFYQIAJC-HXUWFJFHSA-N 362.429 4.029 0 40 FIAB COc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)CCC4)cs2)cc1 7989156 BQITXFTXZKCAQB-UHFFFAOYSA-N 364.470 4.489 0 40 FIAB Cc1cc(F)ccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 8305176 MENUTNLZFUYOLC-UHFFFAOYSA-N 372.484 4.185 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(C)cc2)c1 8355879 ZVCNWQPOHMLNMS-OAHLLOKOSA-N 359.491 4.123 0 40 FIAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1COc2ccccc2O1 9252374 KDUMDKKNVMTORX-AWEZNQCLSA-N 357.715 4.137 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2cccc3cccnc23)c1 9314157 MDKUVFYCIFHINL-UHFFFAOYSA-N 357.207 4.258 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2nnc(-c3cccc(C)c3)o2)c1C 9578762 JWEPFSJVJMYABQ-AWEZNQCLSA-N 367.405 4.111 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCCc1nc2ccccc2[nH]1 9743343 ZSCISKVVHMBQHG-UHFFFAOYSA-N 362.260 4.161 0 40 FIAB CSc1ccc(CN(C)C(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 10964313 KNMYKJYQYJOEKV-UHFFFAOYSA-N 368.506 4.315 0 40 FIAB O=C(COc1ccccc1Cl)NCCOc1ccc2ccccc2c1 10995192 RIVLALVBNBLXCM-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NCCCc1nc2ccccc2s1 11175411 KWEIQVDXDVMAAJ-UHFFFAOYSA-N 363.486 4.459 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C(C)C 11565829 KFMLRPKNYFJBBO-HOTGVXAUSA-N 353.528 4.265 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)COc1cccc(Cl)c1 12255614 YBSOWWIICMHZDC-UHFFFAOYSA-N 357.793 4.426 0 40 FIAB Cc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c(C)c1 12414759 QYYJBYZAFSYIOY-UHFFFAOYSA-N 360.461 4.102 0 40 FIAB O=c1oc2ccc(Cl)cc2n1C1CCN(Cc2ccccc2F)CC1 13266967 PGVQNNHTKIHVNH-UHFFFAOYSA-N 360.816 4.224 0 40 FIAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(Cl)c2c(c1)OCCO2 14074935 ZULOADMBIFMCNJ-UHFFFAOYSA-N 372.833 4.487 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 14181934 ZMTAUCFCABJNMG-QGZVFWFLSA-N 352.478 4.285 0 40 FIAB Fc1ccccc1-c1nnc(SCc2nnsc2Cl)n1C1CC1 14200559 NHKVRMSYAGEGNG-UHFFFAOYSA-N 367.862 4.216 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)c2ccccc2)c2ccccc2)cc1C 15329046 DSEDWHZKZZDNOM-OAQYLSRUSA-N 351.471 4.371 0 40 FIAB CCOc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1OC 19533810 SRQWDDMZRFNKAK-GOSISDBHSA-N 365.477 4.350 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 20045229 QKPFMGAIIAESTG-HXUWFJFHSA-N 368.477 4.239 0 40 FIAB CC(C)C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 20108214 ZYYGNBZPLZHPMC-OAQYLSRUSA-N 352.478 4.040 0 40 FIAB CCOc1cc(CNCCN(CC)CC)ccc1OCc1cccs1 22076375 XLDRKROLRKFDGZ-UHFFFAOYSA-N 362.539 4.157 0 40 FIAB CN(C[C@H](O)COc1ccccc1F)C(c1ccccc1)c1ccccc1 23387582 UCTNILSPEZTADP-FQEVSTJZSA-N 365.448 4.287 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)Cc1coc(-c2ccccc2)n1 25034770 FBQUYSRBEYDZDJ-UHFFFAOYSA-N 361.445 4.431 0 40 FIAB O=C(NC1CCN(CCc2ccccc2)CC1)c1cccc2ccccc12 27938740 BTQGBMYNQGZVOI-UHFFFAOYSA-N 358.485 4.277 0 40 FIAB in-vivo C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C(F)(F)F 27974221 CDNHZBMLJAMWNE-NSHDSACASA-N 357.759 4.443 0 40 FIAB CC(C)c1ccc(Nc2nnc(SCc3cccs3)n(C)c2=O)cc1 28536869 HNVARMKTMQTZTM-UHFFFAOYSA-N 372.519 4.396 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 32907750 RMCAPZKUZNJJJS-LSDHHAIUSA-N 366.383 4.430 0 40 FIAB Cc1cc(C(=O)N2CCCCCC2)c2c(-c3ccccc3F)noc2n1 36618424 FJVMIVLWVICRGR-UHFFFAOYSA-N 353.397 4.354 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)c(C)c1 36635435 KWCXCVIUSJKJEU-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2Br)cc1 38834922 SXGDYSFEFLCUCC-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38835064 PSEFTLFRWPSOHD-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB Cc1ccc(C(=O)Oc2cccc(-c3cc(=O)n4c(n3)CCCCC4)c2)cc1 41124529 UFJSCXHYDRTXIY-UHFFFAOYSA-N 374.440 4.164 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44873334 NODZEUJMQQEDPW-SFHVURJKSA-N 368.546 4.470 0 40 FIAB CCCCOc1ccc(CCNC(=O)Cc2c[nH]c3ccccc23)cc1 48332438 GCMYQEIASXLVLH-UHFFFAOYSA-N 350.462 4.248 0 40 FIAB O=C(O)c1cnc(-c2ccc(Cl)c(Cl)c2)nc1N1CCCCC1 49469177 ALLLATWXEGBRJW-UHFFFAOYSA-N 352.221 4.139 0 40 FIAB Cc1ccc(-c2csc3ncnc(N4CCC[C@H](CO)C4)c23)cc1C 51152859 CKHWFODLGRGDNP-HNNXBMFYSA-N 353.491 4.184 0 40 FIAB C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)CCCC2 57383188 QDYNJZFHXDMMCU-INIZCTEOSA-N 366.509 4.166 0 40 FIAB Clc1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1 57463273 DTHPCPQFIQDODG-UHFFFAOYSA-N 353.853 4.317 0 40 FIAB Cc1cc(Br)ccc1NCc1nc(-c2ccsc2)no1 58372343 KVBBTRNBYWLCGA-UHFFFAOYSA-N 350.241 4.481 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)cc1 59419031 GIKWXKUPVNWOPU-LDADJPATSA-N 368.458 4.500 0 40 FIAB COc1ccc(CN2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1 61997636 MFBMFDYXQCVNSY-UHFFFAOYSA-N 365.429 4.079 0 40 FIAB biogenic Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccc(F)cc4)no3)o2)c1 65185465 LAZKQYIOCQYAPA-UHFFFAOYSA-N 350.353 4.133 0 40 FIAB Clc1ccc(-c2cc(N3CCN(Cc4ccccc4)CC3)[nH]n2)cc1 68754964 JSXCDWCGXDVFDA-UHFFFAOYSA-N 352.869 4.052 0 40 FIAB CC(C)c1ccc(-c2nc3ccc(N4C[C@H](C(=O)O)CC4=O)cc3o2)cc1 70461294 OANVFDGBIRVWKB-OAHLLOKOSA-N 364.401 4.056 0 40 FIAB CCOc1ccccc1NC(=O)NC[C@H](O)c1cccc2ccccc12 70636302 FBERIJNGCFUPRJ-IBGZPJMESA-N 350.418 4.094 0 40 FIAB Cc1cccc(CNC(=O)c2cn[nH]c2-c2cccc(Br)c2)c1 72329094 GAXMHWVSIJWOLC-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB CCCCO[C@@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 79072232 QDLWTSUAODYELU-FUHWJXTLSA-N 361.507 4.016 0 40 FIAB O=C(C[C@@H]1CCCN1c1nc(C(F)F)nc2ccccc12)c1ccco1 95467663 DEEADZUHPKBKIU-LBPRGKRZSA-N 357.360 4.402 0 40 FIAB COc1ccc([C@@H]2SC(=S)N(C)[C@@H](c3ccc(OC)cc3)N2C)cc1 105106539 NWSJPEOLHUGGLH-ROUUACIJSA-N 374.531 4.297 0 40 FIAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COC(C)C 224431833 YVAYTRSNGHHQMV-QGZVFWFLSA-N 355.478 4.371 0 40 FIAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccc(OC)cc1 224601454 KEEKKPUNHQCYMA-UHFFFAOYSA-N 357.450 4.155 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224645597 FRPQJQJQLNSMAO-SFHVURJKSA-N 368.546 4.470 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(OC)c3)o2)cc1 224858796 QFKKIJCBRQDXTG-UHFFFAOYSA-N 366.417 4.320 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)s1 225184366 DBTIMCLGZMHLBC-LLVKDONJSA-N 357.888 4.100 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225459976 LMJJAWUCXSDOQB-QGZVFWFLSA-N 354.475 4.146 0 40 FIAB O=C(c1cc2ccccc2s1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225677580 RPSFFIJHNXSGBF-OAHLLOKOSA-N 351.427 4.260 0 40 FIAB CSc1ccccc1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225725033 DTLKJZZQPXIYFO-UHFFFAOYSA-N 358.850 4.016 0 40 FIAB CC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225907928 OHSGOHNUVIBJLJ-CQSZACIVSA-N 357.325 4.368 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1C 226312060 FJHGOZIEBUCAGP-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB Cc1cccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Br)c1 226357217 SHXXPGKFNWRLOQ-SOFGYWHQSA-N 360.207 4.108 0 40 FIAB COc1cc(N)cc(Cl)c1NC(=O)COc1c(C)cc(C)cc1Cl 227156909 MGLLXSYZMRVEPT-UHFFFAOYSA-N 369.248 4.219 0 40 FIAB c1ccc(CN2CCC3(CC2)OCc2nc(Nc4ccccc4)ncc23)cc1 306142561 XDIPNBMBORRDHM-UHFFFAOYSA-N 372.472 4.242 0 40 FIAB c1cc(-c2nnc(-c3cccc([C@H]4CCOC4)c3)o2)cc([C@@H]2CCOC2)c1 1614621756 KWRRDLKSFUOPKY-BGYRXZFFSA-N 362.429 4.411 0 40 FIAB Cc1ccc(-c2noc(CSc3nnc(C)n3-c3ccccc3)n2)cc1 667107 HDFVBFCHIFQJHP-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)Oc3ccc4ccccc4c3)ccc12 713113 ZGCBKFZNASTRGQ-UHFFFAOYSA-N 360.365 4.239 0 40 FIAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccccc3)c(=O)[nH]c2c1 790303 OFMVJEUQAQNTKY-UHFFFAOYSA-N 372.424 4.272 0 40 FIAB CCOC(=O)c1cccc(Nc2ncnc3ccc(Br)cc23)c1 949367 GYYWZPAYUMNXHS-UHFFFAOYSA-N 372.222 4.313 0 40 FIAB Cc1ccc(CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)cc1 1271502 ACVJSHPIWAWKIA-KRWDZBQOSA-N 364.474 4.394 0 40 FIAB COC(=O)[C@@H](C)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 1978327 OFLNAYAQSAVKBK-LLVKDONJSA-N 358.777 4.054 0 40 FIAB CSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(F)cc1 2460989 BDOUWXBMKHEJHL-UHFFFAOYSA-N 363.435 4.344 0 40 FIAB CSc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 2499967 BNTADEQEEBBNIU-JKSUJKDBSA-N 357.870 4.195 0 40 FIAB Cc1ccc(C)c(Cn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c1 2721429 ZCHUZRJKBWMLBV-UHFFFAOYSA-N 363.505 4.406 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1ccn(COc2ccc(Cl)cc2)n1 2787152 GFSQDAISTGEBEZ-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccsc1)c1ccccc1 3419296 NXKSAFDYMCLEFR-HNNXBMFYSA-N 364.470 4.420 0 40 FIAB O=C(Cc1cccs1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4088784 YEZLEXIDRCBOBU-UHFFFAOYSA-N 359.451 4.001 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3ccc(Cl)cc3)cs2)cc1 4167083 VEZDSYFRVKZJES-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCc1nnc(-c2cccs2)o1 5244248 GJDKBSQCGIPFAU-UHFFFAOYSA-N 367.386 4.119 0 40 FIAB O=C(COC(=O)CC1CCCC1)Nc1ccc(OCc2ccccc2)cc1 5867819 LTQOQKFETDUJIR-UHFFFAOYSA-N 367.445 4.328 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2c1C 6113503 BQVVIDAPSMWHQD-UHIISALHSA-N 363.552 4.341 0 40 FIAB CCCCn1nc(C(=O)Nc2cccc(Cl)c2)c2ccccc2c1=O 6204330 YAXPHHBCUAXXFF-UHFFFAOYSA-N 355.825 4.102 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)c(C)c1 6629940 CDIKZOLMRFDGEV-UHFFFAOYSA-N 355.507 4.276 0 40 FIAB COc1cc(C)c(N[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 7057855 FMNUUHWPPPCVIB-CQSZACIVSA-N 352.434 4.485 0 40 FIAB CC(C)c1ccc(-c2nnc(NC(=O)COc3ccccc3)s2)cc1 7271478 FOZMVNTWCZJEBX-UHFFFAOYSA-N 353.447 4.346 0 40 FIAB COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)nc1 7275020 NFGUEAMNRSGZRA-UHFFFAOYSA-N 369.852 4.007 0 40 FIAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1ccco1 7910624 IDMBHYMZPNRKLF-UHFFFAOYSA-N 373.412 4.071 0 40 FIAB COCCN(Cc1ccccc1)C(=S)Nc1ccc(OC(F)F)cc1 8685131 OIKKWQNUWATFPD-UHFFFAOYSA-N 366.433 4.133 0 40 FIAB COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2cccnc2c1 8710331 UDIHNCGWKVMZPX-UHFFFAOYSA-N 364.426 4.197 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c1 8924443 MEOGWLATEPUKFQ-UHFFFAOYSA-N 363.417 4.180 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccccc2)n1 8938151 XQBWDDIXEIUOFU-UHFFFAOYSA-N 367.430 4.029 0 40 FIAB Cc1c(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)oc2ccccc12 9338293 VGGNYGFQANPEPX-SFHVURJKSA-N 363.392 4.133 0 40 FIAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4cccnc4)ccc3o2)c1 9659982 MXDZDOSKPJWKJT-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1 10770504 ZINQWQXWAZTBAF-GFCCVEGCSA-N 357.841 4.128 0 40 FIAB CCCn1c(SCC(=O)N[C@H](C)CC)nc2ccc(C(F)(F)F)cc21 11021816 KSULSWFIWXDVPC-LLVKDONJSA-N 373.444 4.472 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc(Cl)cc1 11483092 AEQXUEMXNYMAFW-UHFFFAOYSA-N 357.759 4.349 0 40 FIAB CC(C)OCCCN(Cc1ccco1)Cc1cncc2c(Cl)n[nH]c12 12186855 XCPKAZFLALVOQY-UHFFFAOYSA-N 362.861 4.022 0 40 FIAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CC1 12409172 WJTBDSCAHFPRSR-UHFFFAOYSA-N 374.506 4.005 0 40 FIAB CC[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(F)cc1 12622139 TWTUZEPOJAWVCR-INIZCTEOSA-N 370.453 4.131 0 40 FIAB CC(C)[C@H](NC(=O)NCc1ccccc1)c1ccc2c(c1)OCCCO2 12783653 IQRGYOCIJBMTKM-FQEVSTJZSA-N 354.450 4.044 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 14002804 WROQLRDDMMGVOY-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB COc1ccc(CN(C)C(=O)C2(c3ccc(Cl)cc3)CCC2)c(OC)c1 14183417 YCLTXHIFQZTJRW-UHFFFAOYSA-N 373.880 4.438 0 40 FIAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc2c(s1)CCC2 14231524 MQFXIYKNTZQUIS-UHFFFAOYSA-N 350.443 4.316 0 40 FIAB COc1ccccc1/C=C(/NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 16953119 BWMXBPDFIMVACS-HMMYKYKNSA-N 369.424 4.500 0 40 FIAB Cc1cccc(-n2ccnc2S[C@@H](C(=O)N(C)C)c2ccccc2)c1 19298538 ZZQKOAXCWBUTDX-GOSISDBHSA-N 351.475 4.102 0 40 FIAB CNC(=O)c1cccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c1 24039681 RABBAKLBRUKLAV-UHFFFAOYSA-N 364.445 4.405 0 40 FIAB O=C(NCc1cccnc1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 25525843 XQGGZTQNGAPEOS-CVEARBPZSA-N 351.475 4.282 0 40 FIAB Cc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 27583004 DKCZCUNBLGJOGP-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1Cl 27698636 XOABQLMJIGLEIT-YQQQUEKLSA-N 368.908 4.308 0 40 FIAB Cc1ccc(C(=O)N(C)Cc2ccsc2)cc1NC(=O)c1ccco1 32741265 DXXCVBYXGPUQFB-UHFFFAOYSA-N 354.431 4.174 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2cc1C 36386110 UGICOPXFTGTHBJ-AZOIQLNYSA-N 371.477 4.076 0 40 FIAB CC(C)Oc1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1 36561708 DJPKRWLPVDDJEN-UHFFFAOYSA-N 355.478 4.467 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 40104200 GTDAZVVATIAOKN-HXUWFJFHSA-N 351.450 4.332 0 40 FIAB COc1ccc(NC(=O)CCOc2cc(Cl)ccc2Cl)c(OC)c1 40140271 ZRMNXMMAJBTROK-UHFFFAOYSA-N 370.232 4.418 0 40 FIAB CCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)[C@H](C)c1ccc(F)cc1 40145815 JYSWUIBJCQOYCN-MRXNPFEDSA-N 359.489 4.447 0 40 FIAB CC(C)c1ccc(OCCOC[C@H](O)CNC(C)(C)CC(C)(C)C)cc1 40373285 OQLJSNIIWHCTRD-LJQANCHMSA-N 365.558 4.371 0 40 FIAB CCN(C(=S)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cccc(O)c1 44198622 FVKHCVVLZYVMJY-CYBMUJFWSA-N 357.479 4.131 0 40 FIAB O=C(NCc1ccc(F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 44932117 CBYAYHXPELFREK-UHFFFAOYSA-N 374.459 4.314 0 40 FIAB CCOC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2Cl)cc1 56158593 WHBPLOVFKZBZQA-GFCCVEGCSA-N 361.829 4.348 0 40 FIAB O=C1OCCN1c1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1 58166509 IDOWXYSBRYMWLC-INIZCTEOSA-N 357.435 4.074 0 40 FIAB CC1=NN(c2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2)CC1 63338624 ORVSLWXSCFJWPL-UHFFFAOYSA-N 351.425 4.221 0 40 FIAB CC(C)Cn1c(SCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 67258733 WVAGHUQAAUSKDX-UHFFFAOYSA-N 368.458 4.074 0 40 FIAB COCCn1ccc2c(NC(=O)c3ccc4nc(C)sc4c3)cccc21 71286546 BOXFNTQWCLKVRW-UHFFFAOYSA-N 365.458 4.458 0 40 FIAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)C2CCCCC2)c1 72380269 XEPUPPXWIHSADY-IBGZPJMESA-N 353.466 4.329 0 40 FIAB COc1c(C)cccc1[C@H](O)c1nc(-c2ccncc2)cc2ncccc12 72391707 CAQCWVUKQZFXOW-NRFANRHFSA-N 357.413 4.091 0 40 FIAB Cc1nc(-c2ccc(OC(=O)c3cc(C)n(-c4cccnc4)c3C)cc2)no1 84081453 SFWGKNHLPOCWBO-UHFFFAOYSA-N 374.400 4.067 0 40 FIAB Cc1nc(Cl)ccc1COC(=O)c1cnn(-c2ccc(F)cc2)c1C 89536937 VHNQDBLEFSVFQK-UHFFFAOYSA-N 359.788 4.034 0 40 FIAB Clc1ccc(-c2cc3ncnc(NC[C@@H]4CCOCO4)c3s2)cc1 89793813 NJCXOZLGJYBXCA-ZDUSSCGKSA-N 361.854 4.187 0 40 FIAB COc1cc2c(c(CN(C)Cc3nc(C(F)(F)F)cs3)c1)O[C@@H](C)C2 93814576 AFLWJROQWZORDL-JTQLQIEISA-N 372.412 4.126 0 40 FIAB Cc1nc(NC(=O)C2C[C@@H](C)O[C@H](C)C2)sc1Cc1ccc(F)cc1 94020033 IOLQEKYIOQFREF-VXGBXAGGSA-N 362.470 4.324 0 40 FIAB OC1=Nc2ncn(-c3cccc(F)c3)c2[C@H](c2ccc(O)cc2)SC1 95477445 RMKRIZMAYRYQIW-KRWDZBQOSA-N 355.394 4.141 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 122610778 GRVLAZCHADMBLN-UHFFFAOYSA-N 353.462 4.471 0 40 FIAB COc1cc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1O 208764192 IPWPYWSMYCFGBI-AWNIVKPZSA-N 364.184 4.052 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1 219653953 PWCXTTGKLLWMOS-OAHLLOKOSA-N 359.491 4.393 0 40 FIAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1C 223445265 WNVWUDWCTCSQAP-HNNXBMFYSA-N 351.899 4.446 0 40 FIAB COc1ccc(NC(=S)NCCCOC2CCCCC2)cc1Cl 225617203 RGODQAAZSKDNHW-UHFFFAOYSA-N 356.919 4.374 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c(C)n1 225860552 XMZPNHTUKRYAJQ-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB CCOc1cc2c(cc1CN1[C@H]3CC[C@H]1c1cccnc1C3)O[C@@H](C)C2 248341684 WWLQWJFBPPDZEB-VHFSOBRXSA-N 350.462 4.066 0 40 FIAB O=C(c1ccccc1)N1CCC[C@]2(C[C@@H](Oc3ccccc3Cl)CO2)C1 257269504 MQGZHNSOUBBFPM-UTKZUKDTSA-N 371.864 4.183 0 40 FIAB c1ccc(CCN2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 257311818 ULDNDECASDJARG-DEOSSOPVSA-N 358.485 4.288 0 40 FIAB O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccccc1F 390827592 ZLXXCJDBWFMQQV-OAHLLOKOSA-N 353.465 4.017 0 40 FIAB COc1ccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1OC 390830506 LMUFTDMMQJKMNB-HNNXBMFYSA-N 351.512 4.230 0 40 FIAB CC[C@@H](Sc1nc(O)c2c(C)csc2n1)C(=O)Nc1ccccc1 408595740 MYXOLCHRJIOJSK-GFCCVEGCSA-N 359.476 4.215 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 408678917 KIPLFBRNZFSYRN-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB Cc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1Cl 408709702 WCHXHLLVKLMBTL-UHFFFAOYSA-N 350.890 4.308 0 40 FIAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCCOC)C1=O 409245393 SDGFSURNUSJAIJ-QGOAFFKASA-N 371.458 4.311 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)c3cccc(C(F)F)c3F)CC2)no1 529419309 SUWNEFZJOBGLSC-UHFFFAOYSA-N 367.371 4.290 0 40 FIAB C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(-c2ccncc2)cc1 532247338 KXGYCSUDGRKXGC-OXJNMPFZSA-N 362.452 4.212 0 40 FIAB C[C@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(-c2ccncc2)c1 539040250 LRGNSZPECZRFAX-FDDCHVKYSA-N 371.484 4.200 0 40 FIAB Cc1noc(C)c1CN(C)C(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 583619681 GAFIAWOWQGQDHW-UGKGYDQZSA-N 368.477 4.114 0 40 FIAB O=C(Cc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2cccs2)s1 585148083 NOOUCVFDDVIYNN-AWEZNQCLSA-N 361.463 4.008 0 40 FIAB Cc1cccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c1C 585289156 FJFXWGWZMUAOPQ-PWRODBHTSA-N 359.897 4.407 0 40 FIAB Nc1cccc(CNC(=O)c2cnn(C3CCCC3)c2-c2ccccc2)c1 659333123 OAARDNJQBIVQRZ-UHFFFAOYSA-N 360.461 4.177 0 40 FIAB Cc1csc2ncnc(N3CCC(OCc4ccc(F)cc4)CC3)c12 665709754 NBORYMDPYMNAKO-UHFFFAOYSA-N 357.454 4.324 0 40 FIAB C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)C[C@@]1(C)CO 666890709 ZGMOGTZIYSSABP-PXAZEXFGSA-N 358.404 4.009 0 40 FIAB O=C(CCNc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 1322502683 UGVRCKTZXPTXNA-HSZRJFAPSA-N 374.484 4.251 0 40 FIAB Cc1cc(-c2nn3c(CSC(C)C)nnc3s2)c2ccccc2n1 1775972276 QVBFZOHWORNDLS-UHFFFAOYSA-N 355.492 4.351 0 40 FIAB O=C1C(c2ccccc2)=NC2(CCCCC2)N1C(=O)c1ccc(Cl)cc1 1775974481 SXPUSMWRZHUXFX-UHFFFAOYSA-N 366.848 4.472 0 40 FIAB Cc1cccnc1CN1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037978281 NANRXZMMAGIYBV-UTKZUKDTSA-N 353.485 4.409 0 40 FIAB CC(C)c1nsc(N2CCC[C@@H](COc3ncccc3Cl)C2)n1 2298192554 PTSHQTCOUHWUSD-GFCCVEGCSA-N 352.891 4.005 0 40 FIAB S=C(Nc1ccccc1)Nc1ccc(I)cc1 674795 WFIHWHMVEOICJH-UHFFFAOYSA-N 354.216 4.100 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@@H](C)CC2 866579 OQERGNAVACHEAN-LBPRGKRZSA-N 373.474 4.311 0 40 FIAB Cc1cc2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2 902891 RDMXROMZYCELFD-UHFFFAOYSA-N 366.442 4.045 0 40 FIAB CCc1ccccc1NC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 1354067 MZFNDGGCMIHDAR-UHFFFAOYSA-N 365.408 4.242 0 40 FIAB CCC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1359500 XWSQINVKULVOHF-UHFFFAOYSA-N 362.473 4.126 0 40 FIAB CC(C)COC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1938760 FPTNHUAGTRNMCQ-CQSZACIVSA-N 359.397 4.045 0 40 FIAB O=C(NC(=O)c1c(Cl)cccc1Cl)NC(Cl)=C(Cl)Cl 2155478 QUICADUIYGXWGU-UHFFFAOYSA-N 362.427 4.276 0 40 FIAB COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OC(C)=O 2774763 FWHYZCFIABJFMO-SFHVURJKSA-N 361.397 4.248 0 40 FIAB O=C(/C=C/c1cccs1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 4263030 QNWZBRWTCYYKOM-GQCTYLIASA-N 356.428 4.252 0 40 FIAB Cc1ccc(-n2ncc3c(NCCc4c[nH]c5ccccc45)ncnc32)cc1 4355086 PJEXPEPMHPFHOM-UHFFFAOYSA-N 368.444 4.260 0 40 FIAB CCN(C(=O)c1ccccc1I)c1ccccc1C 4551242 YJIKFLKIVJYPTB-UHFFFAOYSA-N 365.214 4.266 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)c3cc(F)c(F)cc3Cl)nc2C1 4615053 GEGKTZHDYMOUED-UHFFFAOYSA-N 370.808 4.482 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(Br)cc2C)c1 4689113 IDVBOMKHZNBELY-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB CCOc1ccc(NC(=O)C[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 5199497 GKKSAIQPBBCBQK-CQSZACIVSA-N 361.825 4.011 0 40 FIAB Cc1cc(C)n2c(SCCSc3ccc(Cl)cc3)nnc2n1 5213420 GMDINKCRUDRHLF-UHFFFAOYSA-N 350.900 4.279 0 40 FIAB Cc1cc(=O)oc2cc(OC[C@H]3CC(c4ccccc4Cl)=NO3)ccc12 5396069 YZHNMIZHIMEJFS-CQSZACIVSA-N 369.804 4.327 0 40 FIAB Cn1c(Cc2cccs2)nnc1SCc1nc2ccccc2s1 5579216 ABJVZDGARDRIRJ-UHFFFAOYSA-N 358.517 4.369 0 40 FIAB CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1ccccc1F 6083013 YCYKRTMFGSCBKW-UHFFFAOYSA-N 374.481 4.104 0 40 FIAB CCCCCn1nc(C(=O)Nc2ccccc2CC)c2ccccc2c1=O 6258673 QTMXQEMIFONKEW-UHFFFAOYSA-N 363.461 4.401 0 40 FIAB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)O 6441241 HNJSOBPLPKWZSZ-BOPFTXTBSA-N 359.381 4.376 0 40 FIAB COc1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC 6610646 QQINTLVWOJQPLO-UHFFFAOYSA-N 363.885 4.303 0 40 FIAB CN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 6664743 KVVZETFYGOQJKH-CYBMUJFWSA-N 374.271 4.337 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 7266980 BUURVRGFKQVEOT-ZDUSSCGKSA-N 366.383 4.173 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 7504992 WMXULKLQYUPTKK-UHFFFAOYSA-N 352.434 4.106 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3cccc(F)c3)n2)c1 7757616 AJGBHTYAWHUEMG-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc3c(c2)OCCCO3)c1C 7773612 UPHFTJIWIUSWOW-CQSZACIVSA-N 373.474 4.359 0 40 FIAB COc1ccc(CN(C)C(=O)CSCc2c(F)cccc2Cl)cc1 7871798 IZTHAKYCLYEHLP-UHFFFAOYSA-N 367.873 4.380 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1OCC 7927724 PWCSWQQLABIIQV-UHFFFAOYSA-N 369.870 4.247 0 40 FIAB CCOc1ccc(NC(=O)CNc2ccc(F)c(Cl)c2)cc1OCC 7972638 NRQBARVQTWRVCX-UHFFFAOYSA-N 366.820 4.327 0 40 FIAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)cc1 8476260 OKVZONORWZNOPU-UHFFFAOYSA-N 360.461 4.305 0 40 FIAB CC(=O)N1CCC(C(=O)Nc2cccc3ccccc23)(c2ccccc2)CC1 8855858 TUGPAOAVNFJCGS-UHFFFAOYSA-N 372.468 4.359 0 40 FIAB O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9060522 QVJNELZEYKYKJB-INIZCTEOSA-N 370.250 4.303 0 40 FIAB Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)Cc1ccco1 9204812 PPDVZTPKUVLZRH-UHFFFAOYSA-N 353.393 4.335 0 40 FIAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc3ccccc3s2)c1 9498379 RUHLWQUBQRVPKH-UHFFFAOYSA-N 352.459 4.229 0 40 FIAB COc1cc(C(=O)OCc2cccc(OC)c2OC)ccc1OCC(C)C 9614108 CWLXRDAVDQTMJJ-UHFFFAOYSA-N 374.433 4.104 0 40 FIAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cl)cc1Cl 9709607 QXAOIYGKNWWAKI-UHFFFAOYSA-N 374.231 4.234 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccc(C)c(OC)c3)n2)cc1 10414716 JKGHBMWLVFHNMG-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB CC(C)(C)OC(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1 11903995 YAGZNKUHHURCJH-UHFFFAOYSA-N 373.837 4.179 0 40 FIAB O=C(Nc1nc(-c2cccs2)ns1)c1ccc(Br)cc1 11914584 SMHLEDBGWZRBIZ-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB Cc1cc(NC(=O)CC(C)C)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12441976 VBPGFJQJHIPJHX-UHFFFAOYSA-N 358.442 4.428 0 40 FIAB O=C(CCn1ccc2ccccc21)N1CCC[C@H]1c1nc2ccccc2[nH]1 12603845 TUXPHPCOUDTVSJ-FQEVSTJZSA-N 358.445 4.271 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 12980478 HSUIUGNMOQBNNV-CYBMUJFWSA-N 362.882 4.201 0 40 FIAB CCCc1nnc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)s1 12982848 VFTJJHUZZZMFBP-UHFFFAOYSA-N 372.498 4.192 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3cc(C)ccc3C)n2)c1 13483862 BKUPGVFGBUAAFO-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1cccc(Cl)c1Cl 16376452 ORSFEXQVZAVWJM-NSHDSACASA-N 357.306 4.192 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccc(OC)cc1 20039598 JAOILKCPRWIGME-KUHUBIRLSA-N 359.491 4.452 0 40 FIAB COc1cc(CO)cc(Cl)c1OCc1cccc(Br)c1 20377407 KYMBKMWBAXQPQE-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccccc2)cc1 20489079 ZRRCLXZGRFYBGQ-OAHLLOKOSA-N 361.532 4.225 0 40 FIAB O=C(CCc1cn(CN2CCCCCC2)c2ccccc12)N1CCCCC1 20647153 UMNIAZVISMTPSA-UHFFFAOYSA-N 367.537 4.420 0 40 FIAB CC[C@@H](C)[C@H](C(=O)OCc1nc(-c2cccnc2)no1)c1ccccc1 22130798 XMGUEJZGMZBUAL-KDOFPFPSSA-N 351.406 4.005 0 40 FIAB O=C(N[C@H]1CCc2ccccc21)c1cccnc1SCC(F)(F)F 24755818 XHWZWTXIRAEPJX-AWEZNQCLSA-N 352.381 4.153 0 40 FIAB CC(C)C[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)c1ccccc1 24830426 HCGVDFBNRGMARN-XLIONFOSSA-N 368.477 4.205 0 40 FIAB CN1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@@H](c2ccccc2)C1 24834154 BFGWWNQDDVDDTE-JOCHJYFZSA-N 374.484 4.395 0 40 FIAB c1ccc2oc(CSc3nnc(N4CCCCC4)n3C3CC3)nc2c1 25078823 BVBQFDSFJNFVIZ-UHFFFAOYSA-N 355.467 4.037 0 40 FIAB COc1ccc(C[C@@H](NC(=O)C[C@H]2C=CCC2)c2ccc(OC)cc2)cc1 25919511 UUKOIUFNSMGDEZ-HTAPYJJXSA-N 365.473 4.460 0 40 FIAB O=C1OC(c2ccc(F)cc2F)=N/C1=C\c1csc(Br)c1 26433749 RFTQNPDTFHOYOU-JYOAFUTRSA-N 370.174 4.133 0 40 FIAB CCCCCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl 27822616 JPACDNMZZWPTDL-UHFFFAOYSA-N 367.898 4.388 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccccc2F)c2ccccc2)cc1 30849098 JZMIESPTZKLAHA-OAQYLSRUSA-N 369.461 4.343 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30864134 SVOMGQNVWBSVPE-QAPCUYQASA-N 357.450 4.047 0 40 FIAB COc1ccc(C(=O)N/C(=C\c2ccccc2)c2nc3ccccc3[nH]2)cc1 32499971 OTKBKSITXHTXTO-QNGOZBTKSA-N 369.424 4.500 0 40 FIAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(F)c(F)c1 32609673 UZZMVXBCRJLOOC-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(CC(=O)c2c[nH]c3ccccc23)CC1 35999860 KUKUYMWDTOFCSU-UHFFFAOYSA-N 367.880 4.135 0 40 FIAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1Cl 36635889 IISCNRHUMLDEPC-ZDUSSCGKSA-N 369.635 4.391 0 40 FIAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCC2=O)cc1 38754790 ABUBKUMGXAXQSZ-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB CCC1CCC2(CC1)NC(=O)N(Cc1coc(-c3ccc(C)cc3)n1)C2=O 40051270 CGWRKTJHWXIUAT-UHFFFAOYSA-N 367.449 4.041 0 40 FIAB CCOc1ncccc1CNc1nc(-c2cccnc2)nc2ccccc12 40067605 CUGLOBIXKRGRFF-UHFFFAOYSA-N 357.417 4.098 0 40 FIAB O=C(CCOc1cccc(Cl)c1)NCc1ccccc1OC(F)F 40090267 FKBBASRZBXRKCI-UHFFFAOYSA-N 355.768 4.027 0 40 FIAB C[C@H]1CCC[C@@H](n2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)[C@@H]1C 40388209 MCPRAGCIGCSVKQ-HDMKZQKVSA-N 373.460 4.103 0 40 FIAB O=C(O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40414542 BUZBVOKDNAZIIM-UHFFFAOYSA-N 368.458 4.385 0 40 FIAB CCOc1ccc(C(=O)N(Cc2c(C)nn(C)c2C)c2ccccc2)cc1 46086610 CGHSGSPDFIPPBL-UHFFFAOYSA-N 363.461 4.283 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)o1 48309804 QKQLXAUCFPNHKR-SNVBAGLBSA-N 352.312 4.459 0 40 FIAB c1ccc(Cn2cc(-c3cnn(-c4ccc5ccccc5n4)c3)cn2)cc1 49592588 IYPKLZZSQVBUJP-UHFFFAOYSA-N 351.413 4.332 0 40 FIAB Cc1sc2nc(Cc3ccc(O)cc3)[nH]c(=O)c2c1-c1ccc(F)cc1 55501895 KIWACXYHJYTQAK-UHFFFAOYSA-N 366.417 4.396 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cccc(SC)c3)n[nH]2)c(OC)c1 57412890 FTKRKTBPTHVWAR-UHFFFAOYSA-N 369.446 4.068 0 40 FIAB Cc1nc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cs1 66317113 PZIJAJRZUGAKTI-UHFFFAOYSA-N 361.854 4.266 0 40 FIAB O=C(Nc1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1)C1CC1 68379468 JMZYSWDPUPPAJE-OAQYLSRUSA-N 360.457 4.327 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-n2cccc2)cc1 84606463 RBKFBWIPBKVECV-SFTDATJTSA-N 364.420 4.267 0 40 FIAB C[C@@H](c1ccccc1)N1C[C@@H](c2ccc(Br)cc2)OCC1=O 90549221 SESJCTYJGGWWDG-GUYCJALGSA-N 360.251 4.110 0 40 FIAB CC[C@H](C(=O)N1CCC(C)(COC)CC1)c1cccc(C(F)(F)F)c1 95459623 MZGUQLFXERRAGG-INIZCTEOSA-N 357.416 4.474 0 40 FIAB Cc1ccc(CN2CC[C@@]3(CCCN(Cc4c(C)noc4C)C3)C2)cc1 96216001 ZFEIZNGRGAALSB-JOCHJYFZSA-N 353.510 4.088 0 40 FIAB COCCn1c(C(=O)Nc2cccc(F)c2)cc2c1c1ccccc1n2C 96264142 SDCVSYAJWSLYKH-UHFFFAOYSA-N 365.408 4.171 0 40 FIAB COc1cccc([C@H](CNC(=O)C2(c3cccs3)CCCC2)OC)c1 96389985 SYZLAHWXMMBPFX-KRWDZBQOSA-N 359.491 4.072 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102086445 DCYXTQSPAOVLME-HNSFDTNUSA-N 358.482 4.433 0 40 FIAB COc1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2C)cc(OC)c1 112161775 RJOGVNGRBHMWQM-UHFFFAOYSA-N 371.824 4.104 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 223300935 JFFSIKHLVILTRU-HNNXBMFYSA-N 367.445 4.148 0 40 FIAB COc1ccccc1OCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 223384373 FWYGXDBBQWYIPR-SDNWHVSQSA-N 353.462 4.201 0 40 FIAB CSc1cccc(NC(=O)c2cc(OCc3ccccc3)ncn2)c1 225534097 PEAZQGDYPZLKEJ-UHFFFAOYSA-N 351.431 4.030 0 40 FIAB CC[C@@H](CNC(=S)Nc1cc(C(=O)OC)ccc1C)Cc1ccccc1 225631271 QXZKMDYHKMEZDW-MRXNPFEDSA-N 370.518 4.337 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccco3)CCCC2)c1 225856414 NTVPMJBQGUSUDP-UHFFFAOYSA-N 358.463 4.131 0 40 FIAB Nc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 226343684 ZSTXWDFVKSIFAR-UHFFFAOYSA-N 367.044 4.337 0 40 FIAB CCc1c(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)[nH]c(C)c1C(=N)O 332144868 NJOGARCMYWRWSF-MRRJBJDNSA-N 353.466 4.176 0 40 FIAB COc1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 408595736 MXDGFURJHMJKQV-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1Cl 408628991 YZZHISRXDUNJIL-UHFFFAOYSA-N 363.804 4.473 0 40 FIAB C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccnc1OCC(F)F 535751492 MQELYROEOAFZBV-LLVKDONJSA-N 365.355 4.016 0 40 FIAB Cc1cccc(O[C@@H]2CCC[C@H](NCCc3ccc(Cl)cc3)[C@H]2O)c1 585289554 RNYRAXHBMRMSFW-PWRODBHTSA-N 359.897 4.142 0 40 FIAB CCn1c(O)nc2ccc(C(=O)N[C@H](C)c3cccc4ccccc34)cc21 1135332518 JGPLBAOZDXPJAX-CQSZACIVSA-N 359.429 4.406 0 40 FIAB CCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 868697 OQVOYRXUKRVSBN-UHFFFAOYSA-N 355.825 4.485 0 40 FIAB c1nc(Sc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 952448 QDKCBSWGQJBNQA-UHFFFAOYSA-N 356.472 4.493 0 40 FIAB O=c1c(Oc2ccc(Cl)cc2)c(Cl)cnn1-c1ccc(F)cc1 1393842 BMDCWRJVPHYYLQ-UHFFFAOYSA-N 351.164 4.471 0 40 FIAB O=C1S[C@H](Nc2ccccc2Br)C(=O)N1c1ccccc1 1516288 NTSAMQATWIBDFT-ZDUSSCGKSA-N 363.236 4.087 0 40 FIAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 2217091 YRJQKBHXIKYBFD-HNNXBMFYSA-N 360.196 4.275 0 40 FIAB CCN(C(=O)COC(=O)c1cccnc1Cl)c1cccc2ccccc12 3397149 QDEHYNGPCQHHJM-UHFFFAOYSA-N 368.820 4.098 0 40 FIAB COc1ccccc1Nc1nnc(SCc2csc(C)n2)s1 3494532 BUXQSMGBBXPALE-UHFFFAOYSA-N 350.494 4.348 0 40 FIAB CC[C@](C)(Nc1ccccc1OC)c1nnnn1-c1c(C)cccc1C 4714369 JZHVWJCWPBTHRC-FQEVSTJZSA-N 351.454 4.025 0 40 FIAB CC1(C)C[C@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2c(Cl)cccc21 4720658 SYLNMCYSTZGDKV-INIZCTEOSA-N 355.821 4.417 0 40 FIAB CCc1cc2cc(OC)c(OC)cc2nc1SCCN1CCCCC1 4858667 XWIJWDOJVFHKBG-UHFFFAOYSA-N 360.523 4.392 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccoc1C 4860440 HAJXGJAXZROLQI-UHFFFAOYSA-N 370.478 4.214 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 5262853 IBFJETIFNDCJFM-INIZCTEOSA-N 373.522 4.478 0 40 FIAB Cc1cc(C)cc(-n2ncc3c2ncn2c(-c4cccc(Cl)c4)nnc32)c1 5323998 HPBAQPBFVIKOEX-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB COc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Cl)cc32)cc1 5484017 JOKIPYLYSFQAEE-UHFFFAOYSA-N 362.820 4.178 0 40 FIAB CC(=O)O[C@]1(c2ccccc2)N=C(c2ccccc2)N=C1c1ccccc1 5567608 RABATJWOXWUBRF-QHCPKHFHSA-N 354.409 4.352 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C 5864200 NWSUEFRSHPRHKV-GFCCVEGCSA-N 366.446 4.228 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1C 6510861 VQFGTIJGRBBLAH-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 6649406 VAZUUCDECSSZRF-UHFFFAOYSA-N 370.518 4.397 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccccc3Br)C[C@@H]2C)c1 6650791 XYZAOGZFKFKJTB-HNNXBMFYSA-N 373.294 4.108 0 40 FIAB Cc1ccc(-c2cnc(S[C@@H](C)C(=O)N(C)C)n2-c2ccccc2)cc1 7122156 VMUSRCXEMFMEMK-INIZCTEOSA-N 365.502 4.417 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7399011 DQVUQTKIQPDWSK-UHFFFAOYSA-N 374.912 4.310 0 40 FIAB O=C(COc1ccc(Br)cc1Cl)c1ccc2c(c1)OCO2 7645984 XPKSPMBQHUMEGI-UHFFFAOYSA-N 369.598 4.093 0 40 FIAB Cc1ccc(C2=N/C(=C/C=C3\N(C)c4ccccc4C3(C)C)C(=O)O2)cc1 7777538 XFHCLTPCJYFOKF-DKPWPWCWSA-N 358.441 4.494 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 7778994 SRJVIKQVYSUVRB-KYXFNPKGSA-N 369.383 4.051 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1OCC 7927803 APNRLVCZWOSUNQ-UHFFFAOYSA-N 369.870 4.247 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 8794590 AVSJYVXGXBSTMY-UHFFFAOYSA-N 359.451 4.151 0 40 FIAB COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1Cl 8935358 VQRWOYTUNULDOH-VIFPVBQESA-N 362.838 4.034 0 40 FIAB Cc1cc(C)cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c1 9436270 DTKIRTSNABPBIY-UHFFFAOYSA-N 354.381 4.253 0 40 FIAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 9604680 SIGHUVSTPKCPHO-HSZRJFAPSA-N 358.441 4.283 0 40 FIAB Cc1ccn2cc(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)nc2c1 10427404 UXGOZYOMNXMGEV-UHFFFAOYSA-N 367.412 4.234 0 40 FIAB C[C@H](NC(=O)NCc1ccccc1CN(C)C)c1cc2ccccc2o1 10466177 NIKUKJRCBWLEOB-HNNXBMFYSA-N 351.450 4.055 0 40 FIAB O=C1CCCN1c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1Cl 11141067 BCUQGPMPCZXSFJ-UHFFFAOYSA-N 354.837 4.137 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2cccnc12 11252950 ZKAIYKBWLBJKBB-UHFFFAOYSA-N 374.362 4.244 0 40 FIAB Cc1c(-c2cccs2)n[nH]c1C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 12147233 UAXSNJUYZMGANO-ZDUSSCGKSA-N 351.475 4.426 0 40 FIAB CCOc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)cc1 12248247 WZTYFTITUPJIQV-UHFFFAOYSA-N 352.419 4.304 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1C 13140848 GRMHEGBUSNLBKT-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)NC12CC3CC(CC(C3)C1)C2 14014385 PGWHWSRDZPWORU-UHFFFAOYSA-N 358.532 4.499 0 40 FIAB CCCCN(C(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1 14245355 KEYDCQDUACYIRD-UHFFFAOYSA-N 363.461 4.424 0 40 FIAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 16082889 CPNNNTHMABGFLD-CABCVRRESA-N 350.245 4.294 0 40 FIAB COc1ccc(NC(=O)[C@H](Sc2nncs2)c2ccccc2)cc1 16815141 YAKLMILLRDJHRZ-OAHLLOKOSA-N 357.460 4.019 0 40 FIAB O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C2(c1ccccc1)c1ccccc1 18188844 XZKMCCXWLAUMQG-BGYRXZFFSA-N 373.839 4.446 0 40 FIAB Cc1ccc(-c2ncc(CN3CCC(n4nc(C)cc4C)CC3)cn2)cc1 19658401 YIPZJFCBCRBZLA-UHFFFAOYSA-N 361.493 4.102 0 40 FIAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)n1 19716893 SAMVWEXDRROCPV-INIZCTEOSA-N 367.424 4.418 0 40 FIAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccccc2-n2ccnc2)cc1 20104629 WVLWQKBXQDLJNN-JLHYYAGUSA-N 359.473 4.499 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 20144285 UAPJJOKJPVYUIN-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB FC(F)(F)c1nc(N[C@@H]2CCN(Cc3ccccc3)C2)c2ccccc2n1 22800510 PELMAAKWDIJXSS-OAHLLOKOSA-N 372.394 4.335 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2CN2CCCC2)cc1 24652040 HJDMOPGXJVIHOO-SFHVURJKSA-N 368.546 4.388 0 40 FIAB CC(=O)Nc1nc(COC(=O)c2ccccc2Oc2ccccc2)cs1 24905466 DWDZKAIFVWUFND-UHFFFAOYSA-N 368.414 4.251 0 40 FIAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Nc3cccc4c3CCCC4)ccc21 28664730 OQTPJHOAOCVHQW-HNNXBMFYSA-N 362.473 4.158 0 40 FIAB Cc1[nH]ncc1CCCNCc1ccc(-c2nc3ccccc3s2)o1 30667166 RZQFYRFFXDQRRZ-UHFFFAOYSA-N 352.463 4.310 0 40 FIAB Cc1cc(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)c2ccccc2n1 32714704 BIUXTFHUNMZVFT-NRFANRHFSA-N 374.440 4.064 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1F 32794966 CRXBUWLQGNEBNA-KGLIPLIRSA-N 369.440 4.296 0 40 FIAB CCc1sc(C(=O)NCC(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1C 32796198 QDKLETLXCXRXLS-KRWDZBQOSA-N 370.518 4.021 0 40 FIAB O=C(COCc1nc2ccccc2s1)Nc1cccc2c1CCCC2 36393535 MKUUHMANOWSNCQ-UHFFFAOYSA-N 352.459 4.330 0 40 FIAB Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccccc3Cl)no1)cn2C 38487625 LVEVBRJWZJVIBB-UHFFFAOYSA-N 351.793 4.217 0 40 FIAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1ccnn1Cc1ccccc1 40130721 SVGKPFHTKWHVAS-UHFFFAOYSA-N 363.465 4.013 0 40 FIAB CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccccc1 40150042 NQTVBAPCJFVINA-FQEVSTJZSA-N 351.494 4.281 0 40 FIAB Cc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3ccc(O)cc3)c(C)c12 41677767 YWJYQAWJVPQJKO-UHFFFAOYSA-N 367.474 4.163 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N(CC)c2ccccc2)cc1 48324400 SVBZKTQCTJDJAI-NRFANRHFSA-N 352.478 4.275 0 40 FIAB NC(=O)c1ccc(-c2nc(CSc3nc4ccccc4[nH]3)cs2)cc1 52888365 MAJADLONHQZZSK-UHFFFAOYSA-N 366.471 4.078 0 40 FIAB O=c1cc(CNC(c2ccccc2)c2ccccc2)c2ccc(O)cc2o1 57406360 BBHBWSCLUNLGBQ-UHFFFAOYSA-N 357.409 4.378 0 40 FIAB CC[S@@](=O)c1ccccc1C(=O)OCc1ccc(Cl)cc1Cl 57651957 KKGKXVNOCCAFEF-QFIPXVFZSA-N 357.258 4.478 0 40 FIAB Cn1cc(CC(=O)Nc2ccnc(Sc3ccccn3)c2)c2ccccc21 58433139 ACCUMCIWEPYOGS-UHFFFAOYSA-N 374.469 4.301 0 40 FIAB COc1ccc(Oc2ncccc2NC(=O)NCCc2cccs2)cc1 61553019 DWACNOMHEUEARK-UHFFFAOYSA-N 369.446 4.308 0 40 FIAB Fc1ccc(C2(CNc3ncccc3C(F)(F)F)CCOCC2)cc1 65587399 VXHHGBMDINJWCE-UHFFFAOYSA-N 354.347 4.400 0 40 FIAB COc1cccc(CNC(C)(C)c2ccc(Br)cc2)c1OC 78998219 JNNWQYGLPCYEDH-UHFFFAOYSA-N 364.283 4.491 0 40 FIAB Cc1cccc2c1C(=O)N[C@@H](c1ccc(-n3ccc(C(F)(F)F)n3)cc1)N2 84229748 HRYWVVSMTNPWIY-KRWDZBQOSA-N 372.350 4.054 0 40 FIAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(C)cc2C)no1 89263006 VSCMPAYNHNWZDS-UHFFFAOYSA-N 352.390 4.144 0 40 FIAB CCCc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)[nH]n1 95349103 KZWZUDKMGUOGDS-UHFFFAOYSA-N 363.465 4.153 0 40 FIAB C[C@@H](CCCc1ccccc1)C(=O)Nc1cccc(N2CCOC2=O)c1 95462909 PMKLCAKCTVWKPI-INIZCTEOSA-N 352.434 4.241 0 40 FIAB COC(=O)Cn1c(-c2c(Cl)cccc2Cl)nc2c(Cl)nccc21 95704813 AXZJFUQCOSNJQP-UHFFFAOYSA-N 370.623 4.232 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2F)C[C@@H](c2ccccc2)C1 102590711 PCCQDTJBJBCMEV-VLIAUNLRSA-N 360.392 4.482 0 40 FIAB CC[C@H](NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccccc1OC(F)F 102797222 SVDRJSDVUJPXFQ-XEZPLFJOSA-N 365.420 4.251 0 40 FIAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Cl 152639624 KSHDKWYPAMFGEL-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)N1CCS[C@@H](c2ccco2)CC1 219364170 IPDLGMQUCOQVQX-OAHLLOKOSA-N 373.503 4.156 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2OC)cc1 219499993 WCIARJPEFXCBCG-LPHOPBHVSA-N 371.477 4.375 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)s1 223521721 KVLHPRSGKXEQIC-QZTJIDSGSA-N 366.515 4.019 0 40 FIAB C[C@H](NC(=O)c1snnc1-c1ccc(F)cc1)c1ccc(Cl)cc1 225781804 YOWAILWBIDXPRG-JTQLQIEISA-N 361.829 4.489 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(C)cc2N)c1 226331566 LBPROMCVRKSHBS-OAHLLOKOSA-N 353.466 4.217 0 40 FIAB CCCOc1cccc(C(=O)Nc2c(C)cc(N)cc2Br)c1 226763243 DGOAUCAYCBJBAD-UHFFFAOYSA-N 363.255 4.381 0 40 FIAB CO[C@@H](CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2o1 253473676 XBTOGEAMWNGEJF-SFHVURJKSA-N 358.825 4.273 0 40 FIAB c1ccc(CCN2CCC[C@@]3(CC2)CN(Cc2cccs2)CCO3)cc1 306123116 AEXCURUVLIIXPW-JOCHJYFZSA-N 370.562 4.048 0 40 FIAB C[C@H](NC(=O)Nc1ncc(C(C)(C)C)s1)c1ccc2c(c1)CCC(=O)N2 331698250 XFIRFQCWZSQTKU-NSHDSACASA-N 372.494 4.208 0 40 FIAB CCOc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 409416162 BVHODGABLQCMDZ-YVMONPNESA-N 366.244 4.470 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CCC12CCOCC2 585408692 MVIRLTCMLXOSDT-LJQANCHMSA-N 350.462 4.034 0 40 FIAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cscn1 618237459 BHNWIQAYOFYFSF-MRXNPFEDSA-N 370.396 4.279 0 40 FIAB O=C1NCc2ccc(NC(=O)C3(c4ccc(C(F)(F)F)cc4)CCC3)cc21 653599661 YFPDBGPFIZBJGM-UHFFFAOYSA-N 374.362 4.009 0 40 FIAB CN1Cc2c(NC(=O)N3[C@H]4C=C(c5ccccc5)C[C@H]3CC4)cccc2C1=O 669408939 IDBOOWOJPUOCTI-QZTJIDSGSA-N 373.456 4.124 0 40 FIAB O=C(c1coc(C2CCC2)n1)N1CC(OCc2cccc3ccccc23)C1 683490114 NWDFXJKFTTUNDK-UHFFFAOYSA-N 362.429 4.137 0 40 FIAB O=C(c1ncccc1-c1ccccn1)N1CC(Cc2ccc(Cl)cc2)C1 1587320129 PDEDLLWDXBCSSS-UHFFFAOYSA-N 363.848 4.112 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@H](C)C2 687052 QLVQWDGGSURBJR-LBPRGKRZSA-N 373.474 4.311 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)CCSc3ccccc3)nc2C1 751958 DJEWNYQUWUHBNZ-UHFFFAOYSA-N 360.504 4.419 0 40 FIAB CC1(C)C[C@]2(C[C@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=O)N1 885499 USVAGCPQMZRPOS-FOIQADDNSA-N 372.852 4.138 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc1OCC 936418 BNJDJSSNDQBKIQ-NTUHNPAUSA-N 353.418 4.339 0 40 FIAB Cc1ccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c(C)c1 1452573 RAGREMQLIPSXAO-HXUWFJFHSA-N 364.470 4.416 0 40 FIAB Cc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(F)cc34)C[C@H]2C)c1 2424765 GRIPJIGHSWFUTO-MRXNPFEDSA-N 365.452 4.009 0 40 FIAB O=C1CN(C(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2N1 2659903 GRKLPZGLVGBUPO-UHFFFAOYSA-N 356.425 4.194 0 40 FIAB COc1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)c1 2917531 JEPKXPRAOAMKOP-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB O=C(NCc1cccnc1)c1cccnc1Sc1ccc(Cl)cc1 4054505 KCJUQWBGXOTPSO-UHFFFAOYSA-N 355.850 4.211 0 40 FIAB Cc1cccc(Oc2ccc3[nH]c(C(=O)NC[C@@H]4CCCO4)cc3c2)c1 4702634 JEZYLTRENSJEBK-SFHVURJKSA-N 350.418 4.177 0 40 FIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 4808725 VIHOMLSGNCJQQU-KNBMTAEXSA-N 360.885 4.260 0 40 FIAB O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccccc1O 4828935 PVKPHJVPBSRPKQ-BUHFOSPRSA-N 358.372 4.401 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc(Br)o1)c1nc2ccccc2[nH]1 5020233 BBEUDRQLMDGDCF-CQSZACIVSA-N 362.227 4.046 0 40 FIAB CC(=O)Oc1c(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)ccc2ccccc12 5023873 PMZLVJMLGWNNPG-JOCHJYFZSA-N 372.424 4.463 0 40 FIAB CC(C)(C)c1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 5319686 YHWJGMHPVHUUQO-UHFFFAOYSA-N 366.486 4.127 0 40 FIAB CC(C)c1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 6358947 PMFPRXJVXKNEDO-UHFFFAOYSA-N 356.535 4.239 0 40 FIAB COC(=O)c1ccc(Cn2c(-c3ccc(Cl)cc3)cccc2=O)cc1 6640469 HKWXHJFRGBWHLR-UHFFFAOYSA-N 353.805 4.004 0 40 FIAB O[C@@]1(c2ccc(Cl)cc2Cl)CSC(=S)N1Cc1cccnc1 6923157 VYEBWIKOSCQQKU-OAHLLOKOSA-N 371.314 4.067 0 40 FIAB Cc1ccc(SCCN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 7003419 PUPWUFMWBDFPBQ-FOIQADDNSA-N 360.523 4.224 0 40 FIAB O=C1Cc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)ccc2N1 7036744 KGACJFVNJWOPOS-UHFFFAOYSA-N 369.833 4.210 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(OC(F)F)cc2)N1CC(F)(F)F 7113272 UIZIRCNLKJYURW-CQSZACIVSA-N 372.293 4.417 0 40 FIAB COc1cc(C)c(CSCC(=O)N2c3ccccc3C[C@@H]2C)cc1OC 7150440 PGZVFJQKSBRGOM-HNNXBMFYSA-N 371.502 4.223 0 40 FIAB CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1C1CC1 7618471 YXFFJACRAUJCOG-GFCCVEGCSA-N 354.479 4.329 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccccc3)cs2)cc1OC 7751336 HZSWMVRZHMZNAW-CYBMUJFWSA-N 368.458 4.318 0 40 FIAB CC(C)Cc1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 7995812 LLANHSRFSDRJCH-UHFFFAOYSA-N 358.492 4.041 0 40 FIAB Cc1ccc(OCCNC(=O)c2sc(-c3ccccc3)nc2C)cc1 7996221 XDTHJABVSHYMTJ-UHFFFAOYSA-N 352.459 4.236 0 40 FIAB CCOc1c(Br)cc(CNCc2ccccc2)cc1OC 8253358 XRSAPGOZVIBGEO-UHFFFAOYSA-N 350.256 4.146 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)CCc1c[nH]c2ccccc12 8649874 XSCKEMLWKFJCAY-UHFFFAOYSA-N 365.429 4.445 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 9191522 OHOCMXSGALCXBE-ZDUSSCGKSA-N 373.909 4.446 0 40 FIAB COc1cc(C)c(NC(=O)c2ccc(F)cc2Br)cc1OC 9458904 ASUCJHZGHJRZNX-UHFFFAOYSA-N 368.202 4.166 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(C(C)C)cs2)c1 9503799 RNVBTYZMRKZUHK-UHFFFAOYSA-N 373.507 4.135 0 40 FIAB O=C(Nc1ccc(N2CCCC2)cc1)c1c[nH]nc1-c1ccc(F)cc1 10427566 OFQZSHXBTHNJCI-UHFFFAOYSA-N 350.397 4.068 0 40 FIAB Cn1c(=O)n(CCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc21 11459252 PMJRXRQKLDFHDV-UHFFFAOYSA-N 371.440 4.036 0 40 FIAB Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2c1C(=O)O 11615816 IHEXWGDUPPZWHM-UHFFFAOYSA-N 373.430 4.364 0 40 FIAB O=C(NCc1cc(-c2cccs2)on1)c1ccccc1C(F)(F)F 12235785 YAUDHLBAAMSYSO-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB Cc1cc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(C)no3)nc2c1 12422336 UZQCGVLMFFOCGL-CQSZACIVSA-N 371.462 4.035 0 40 FIAB CCN(CC)Cn1nc(-c2ccncc2)n(-c2ccc(C)cc2)c1=S 12544206 ZBGLQGYDHAQVCC-UHFFFAOYSA-N 353.495 4.073 0 40 FIAB CCOc1ccc2nc(Cl)c([C@@H]3CC(C4CC4)=NN3C(C)=O)cc2c1 13014068 HXUSGIKDRSUDJB-SFHVURJKSA-N 357.841 4.346 0 40 FIAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1nc2ccccc2s1 14021836 VKNZFKPYPMLFTJ-UHFFFAOYSA-N 361.417 4.035 0 40 FIAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14197436 IDZUSSSWQMMHTJ-MWLCHTKSSA-N 352.312 4.145 0 40 FIAB COc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1C 15018099 ODTVOFRWWQHWTL-HNNXBMFYSA-N 360.251 4.069 0 40 FIAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 15326222 IYVQJNQBKSLEEM-LJQANCHMSA-N 350.462 4.016 0 40 FIAB CCOc1ccccc1OCCC(=O)NCc1ccc(C(F)(F)F)cc1 16301310 QHYPWNVUTUQQAN-UHFFFAOYSA-N 367.367 4.189 0 40 FIAB CCCn1ncc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)c1C 19525893 HCQVWSBKBQMVQR-IBGZPJMESA-N 368.868 4.169 0 40 FIAB COc1c(C)cccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20143065 OUWNJMIDTIKMIK-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB CCSc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 21281993 QJFVHQCRWYXILP-UHFFFAOYSA-N 366.855 4.211 0 40 FIAB Cc1cc(C(=O)Nc2cccc3cn[nH]c23)c(C)n1Cc1cccs1 24925940 VVEAQQRBTKWWGA-UHFFFAOYSA-N 350.447 4.343 0 40 FIAB O=C(c1cccnc1N1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1 25049504 YWVIBHOQXQAENR-UHFFFAOYSA-N 374.488 4.183 0 40 FIAB CC(C)(C)N[C@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 25501010 VJKQDRBPEMCVGJ-NSHDSACASA-N 358.096 4.154 0 40 FIAB COc1ccc(OC)c(CN(C(=O)c2ccc(Cl)s2)C2CC2)c1 25804996 MSGZNMVLUNLAJQ-UHFFFAOYSA-N 351.855 4.224 0 40 FIAB O=C(Nc1cc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1 27747411 QVFHVHIUTOMORV-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB CCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)[nH]n2)c1 27756271 CZYMATKPGPQJLU-UHFFFAOYSA-N 371.824 4.259 0 40 FIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 27922488 BIARWPFBBFYTCK-PMACEKPBSA-N 363.436 4.430 0 40 FIAB CN(Cc1ccsc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 32748212 KILSHAHBOFDEPI-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)C(C)(C)C)c1 32904066 BRNJBDSKCXCXCJ-CYBMUJFWSA-N 356.491 4.492 0 40 FIAB COc1ccc(CCCN(C)C(=O)Nc2ccc(C)cc2C)cc1OC 40095392 FODRAGIOPXEFBQ-UHFFFAOYSA-N 356.466 4.417 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)c3ccc(C)[nH]c3=O)sc2C)cc1 40150783 OQIZEFWGQSNENC-UHFFFAOYSA-N 367.474 4.320 0 40 FIAB Nc1cc(C(=O)Nc2ccccc2Br)ccc1Br 40293848 RQAIBTALSKTUBI-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB O=S(=O)(c1cc(F)ccc1F)N(Cc1ccsc1)Cc1ccco1 44225654 ZVOAAIUNJOGXNA-UHFFFAOYSA-N 369.414 4.010 0 40 FIAB Cc1ccc(F)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364553 VRTMBDYRNDWQSX-QGZVFWFLSA-N 362.404 4.293 0 40 FIAB CCCN(C(=O)c1cc(-c2cccnc2)on1)[C@H]1CCc2ccccc2C1 56351421 RBDGIDIGABHMTG-IBGZPJMESA-N 361.445 4.146 0 40 FIAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CNCc1cccs1 57698903 XPZMBSRQAXXOCN-UHFFFAOYSA-N 356.491 4.075 0 40 FIAB Cc1cccc(OCCNC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)c1 58144916 XDMZRILRHDBYSX-INIZCTEOSA-N 363.461 4.184 0 40 FIAB Cc1cnn(CC2CC2)c1NC(=O)c1cc(-c2ccccc2Cl)on1 58432864 NIQJABXTPTXHFA-UHFFFAOYSA-N 356.813 4.162 0 40 FIAB Cc1ccc(-c2ncc(C(=O)NCCc3ccc(O)cc3)s2)c(C)c1 61622153 GXLGTIVOTDZLHQ-UHFFFAOYSA-N 352.459 4.105 0 40 FIAB O=C(NCc1cc(-c2ccccc2)no1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 62488055 XIIGITHWFZJZHX-SFYZZRBRSA-N 351.450 4.062 0 40 FIAB Cc1cccc(-c2ncc([C@@H]3CC(=O)Nc4c3c(C)nn4C(C)C)cn2)c1 65499095 MJJGCMLFMKXDSP-KRWDZBQOSA-N 361.449 4.012 0 40 FIAB COc1ccc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(Cl)c2c1 72329826 IQEYXFYWFLUNTD-UHFFFAOYSA-N 368.241 4.383 0 40 FIAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2Cc2ccccc2)n1 72360103 DLVMRIBRESXURI-KRWDZBQOSA-N 366.494 4.026 0 40 FIAB COCCn1ccc2c(NC(=O)Cc3c(F)cccc3Cl)cccc21 72400434 VBGIOGCSNXOZDH-UHFFFAOYSA-N 360.816 4.261 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2ccc(N)cc2Cl)cc1OC 89598285 APBMITULIHARFH-JTQLQIEISA-N 351.855 4.303 0 40 FIAB CCc1nn(C)cc1CNC(=O)c1ccccc1Sc1ccccc1 91733241 WXOKFPRRPCJJTG-UHFFFAOYSA-N 351.475 4.064 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(C(F)(F)F)c1 95385634 NXHXVJRWXYVBRN-CQSZACIVSA-N 360.383 4.479 0 40 FIAB COc1ccc(C(=O)CCC(=O)N[C@@]2(C)CCCc3ccccc32)cc1F 95964302 SFKVOZIKIGMNIH-QFIPXVFZSA-N 369.436 4.165 0 40 FIAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(N)c12 215683035 VWXSLWIMEVKKNH-IUCAKERBSA-N 371.428 4.324 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219577563 NVDWTVCKTUFVNO-SJORKVTESA-N 357.425 4.402 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)OC)c1C 222956915 RRRIEXYFESRSQB-SFHVURJKSA-N 355.434 4.195 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC(C)(C)C 223402959 IBIPMUVPZNYOOD-MRXNPFEDSA-N 352.906 4.162 0 40 FIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 223438537 KYEHRQSBPXXHOP-UHFFFAOYSA-N 355.868 4.065 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224874269 WCPKCHJRNCWLDN-MRXNPFEDSA-N 369.339 4.390 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1F 224889433 XOWOWOATHWAHGR-ROUUACIJSA-N 352.438 4.034 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C)cc1 225486066 LHPAEGVVCZXJEY-SFHVURJKSA-N 355.507 4.135 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225730564 GHQZITJQIQSHEA-CALCHBBNSA-N 363.571 4.128 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225734127 LZDMHJUTVSYWBB-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2cccc(SC)c2)c1 225766834 OJZVZPYKHMJEKH-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2Cc2ncccc2C)n1 257213195 CGNOSOUXWPHLFL-HXUWFJFHSA-N 374.492 4.273 0 40 FIAB O=C(O)c1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1 263582964 ZGYNAEMSODAFSY-UHFFFAOYSA-N 354.381 4.045 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408607317 KUQVQQWXJFKEDN-FQEVSTJZSA-N 354.881 4.003 0 40 FIAB C[C@@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(-c2ccncc2)c1 539040251 LRGNSZPECZRFAX-JPYJTQIMSA-N 371.484 4.200 0 40 FIAB Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccco2)cc1 28580904 MCBLFXRANXDBSE-FQEVSTJZSA-N 351.446 4.030 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)c2c(c1)OCO2 16301713 NKEUTZRIIDQNJS-UHFFFAOYSA-N 357.715 4.018 0 40 FIAB CCOc1ccc(-c2nc(NC(=O)c3c(C)noc3C)sc2C)cc1 3533561 XZOHLLWSBPXZSK-UHFFFAOYSA-N 357.435 4.374 0 40 FIAB CN(C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 29258716 AVZBPZPHQAPKBP-IEBWSBKVSA-N 372.509 4.170 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 6324244 ZIMVHWHNIUPOEC-AWEZNQCLSA-N 354.425 4.115 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccccc1 59289845 MVZAVSADOPYCJI-UHFFFAOYSA-N 354.450 4.014 0 40 FIAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@@H]1c1cccs1 29797023 BZAQCZPBTDUUNV-QZTJIDSGSA-N 357.475 4.283 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC(Cc2ccccc2)CC1 8558711 OSHUKLJCGHUKJH-FQEVSTJZSA-N 355.453 4.464 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)Cc3cccc(F)c3)s2)cs1 8755887 ISMSIEKUKCGDAX-UHFFFAOYSA-N 360.479 4.221 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1 2629478 VUPVSIVJRKCWRA-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB Cc1c(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)oc2ccccc12 32911156 ITMDKYGGERVRCD-UHFFFAOYSA-N 363.413 4.334 0 40 FIAB O=C(CCc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 22131939 UXTYABQRWZTGJU-IBGZPJMESA-N 351.446 4.144 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c(C)c1 22511511 DBBCZGXBHXIMNG-GOSISDBHSA-N 359.397 4.107 0 40 FIAB COc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(=O)c1ccco1 677716 MLYIMYOBKPQDBQ-FMIVXFBMSA-N 362.385 4.192 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 876246 YFILOSIFKGKMEM-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2CCC(C)C)no1 12520372 CVBBGPFBAFYOAU-CQSZACIVSA-N 372.494 4.498 0 40 FIAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCCCCC1 23983406 NGIXYVWMWVJWNV-CQSZACIVSA-N 366.502 4.115 0 40 FIAB Cc1sc(NC(=O)c2ccc([S@@](C)=O)cc2)nc1-c1ccc(F)cc1 47983118 BFSMIUALAXVCBJ-VWLOTQADSA-N 374.462 4.247 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 43495650 RDZQBKZGLKOIAF-IBGZPJMESA-N 372.538 4.081 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 56851813 FUJRHYVIMWWOQB-QWHCGFSZSA-N 366.383 4.392 0 40 FIAB O=C(NCc1cccc(Cl)c1)N1CCC(c2c[nH]c3ncccc23)CC1 114909400 WJMASEIUWWPYLC-UHFFFAOYSA-N 368.868 4.306 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 26915684 BFSCTWDOELHYQE-JOCHJYFZSA-N 363.505 4.153 0 40 FIAB CC(=O)[C@@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2090829 ULSDQHPHOSJHIH-MRXNPFEDSA-N 350.414 4.357 0 40 FIAB biogenic COc1ccc(Oc2ncccc2NC(=O)NCCc2ccsc2)cc1 58105752 OIQWPOWURNVAGR-UHFFFAOYSA-N 369.446 4.308 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20047310 KBHALQXKZBTCIB-LJQANCHMSA-N 366.461 4.226 0 40 FIAB CC(C)c1nc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cs1 58377347 KKBIMPDCBXSEFD-GUYCJALGSA-N 357.479 4.012 0 40 FIAB COC(=O)c1occc1CSc1nc(C(F)(F)F)nc2ccccc12 12778157 ONNHHSDKFYBXFB-UHFFFAOYSA-N 368.336 4.321 0 40 FIAB CC[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 12781118 ZVXWUHKBDMRVFC-SUNYJGFJSA-N 360.498 4.462 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 28292215 ABWCRBGXCPQNFU-HNNXBMFYSA-N 369.852 4.299 0 40 FIAB Nn1c(SCc2ccccc2Cl)nnc1-c1cccc(Cl)c1 2378189 UDKRKGKXOJHVIP-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB O=C(CN1CCC[C@@H]1c1ccsc1)Nc1ccccc1Br 48356417 JEZSEYJJKLDPHM-OAHLLOKOSA-N 365.296 4.286 0 40 FIAB CN(C)[C@@H](CNc1ncnc2sc3c(c12)CCCCC3)c1ccco1 3452414 UTCLMQXWTSEECY-AWEZNQCLSA-N 356.495 4.268 0 40 FIAB O=C(NCCC1CCCC1)NCc1ccc(COCC(F)(F)F)cc1 12982127 NBKKZWLMZTYPKR-UHFFFAOYSA-N 358.404 4.145 0 40 FIAB Cc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 12922375 VUFHXIHJSPVQAS-QGZVFWFLSA-N 360.461 4.257 0 40 FIAB CCOCCCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 12916403 WZFGTZFOYHWPGP-UHFFFAOYSA-N 368.408 4.304 0 40 FIAB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)c1ccccc1Cl 408536926 YGQJFFVCLNMGLO-UHFFFAOYSA-N 358.829 4.020 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 13002427 AKGMPIVTLBUMNU-CQSZACIVSA-N 351.402 4.282 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(Br)cc1 48817077 OMKOFFSYTQFAKY-UHFFFAOYSA-N 354.631 4.041 0 40 FIAB CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccco1 8484778 NGSCXSYCYFATKX-UHFFFAOYSA-N 367.430 4.265 0 40 FIAB Cc1cn(CC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c2ccccc12 64933939 QLNKWPMYZUGTJV-RBBKRZOGSA-N 366.436 4.125 0 40 FIAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)c(C)nc2c1 14241684 IZAOMSGQRKEBBG-NSHDSACASA-N 356.372 4.321 0 40 FIAB COc1cccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 6759681 NPZBLNDYGTYKAR-UHFFFAOYSA-N 366.295 4.223 0 40 FIAB CCCOc1c(Cl)cc(C(=O)N2CCc3sccc3C2)cc1OC 21626320 YATUQSYGTCXESD-UHFFFAOYSA-N 365.882 4.397 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1ccc(Oc2ccccc2)cc1 6992404 NKBDKKGCNZKNES-UHFFFAOYSA-N 360.457 4.471 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(F)c2)c1C 6932298 ZEEVCQKUMWNCMB-UHFFFAOYSA-N 366.392 4.040 0 40 FIAB O=C(CCc1nc(-c2ccncc2)no1)Nc1cc(Cl)ccc1Cl 8753167 GGLWHZZCWJLOBU-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB COc1ccc(O)c(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c1 15565681 JXCDQQVKIYNDNE-UHFFFAOYSA-N 353.462 4.194 0 40 FIAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1ccc2ccccc2c1 15617887 GDHMZKYSUNNNJH-UHFFFAOYSA-N 373.500 4.081 0 40 FIAB CCSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1 71327534 CCVQXQJDWSKFLZ-UHFFFAOYSA-N 367.293 4.322 0 40 FIAB c1nc(SC2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCCC3 96010365 YVYIQBNRCGETEJ-UHFFFAOYSA-N 362.520 4.348 0 40 FIAB O=C1CCCN1c1ccccc1NCc1nc(-c2cccc(Cl)c2)no1 9468857 XJCPDEYWVHGJHO-UHFFFAOYSA-N 368.824 4.129 0 40 FIAB CCOC(=O)C[C@@H](NCc1c(F)cccc1F)c1ccccc1Cl 19848571 ORMQZUZKRONMQI-QGZVFWFLSA-N 353.796 4.402 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 20108490 HOHFYDTUIUDEOW-KRWDZBQOSA-N 370.468 4.065 0 40 FIAB CCCO[C@@H]1CCCN(C(=O)Nc2c(C)noc2-c2ccccc2)CC1 95942300 BRQHLIVNDXJJPG-QGZVFWFLSA-N 357.454 4.463 0 40 FIAB O=C(CCc1nc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 9996233 PTWSDWRPBGYRIZ-UHFFFAOYSA-N 354.431 4.029 0 40 FIAB Cc1c(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)cnn1C 28238841 SGZKPFBHUUYBLK-UHFFFAOYSA-N 367.449 4.450 0 40 FIAB COC(=O)c1cc(NC(=O)/C=C/c2cccc(Cl)c2)c(F)cc1F 31026891 YJJBQUQWGBGKFA-AATRIKPKSA-N 351.736 4.057 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C=O)cn1)C1CCCC1 72215550 XMIPFVGMABOTQL-QGZVFWFLSA-N 359.470 4.059 0 40 FIAB CC(C)C(NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)C(C)C 38849162 SWVVNNVDRQZJMZ-QGZVFWFLSA-N 350.934 4.349 0 40 FIAB C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CCOCC12CCCC2 536889161 HAHLOTCHYHLMEI-GOSISDBHSA-N 352.478 4.077 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 219044499 HDXMXIBMXUVXHR-QZTJIDSGSA-N 363.457 4.499 0 40 FIAB Cc1cc2occ(CC(=O)NCCC(=O)Nc3ccccc3C)c2cc1C 72427609 YKHQGTNZDUHXBL-UHFFFAOYSA-N 364.445 4.046 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1C 224423106 ORXAGBFNRWUQCX-SFHVURJKSA-N 355.478 4.389 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 224979762 XVYKCEGDNWYLOJ-UHFFFAOYSA-N 374.506 4.103 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(OC)cc1 224494421 HSFQNNXWVKZQEZ-JOCHJYFZSA-N 367.489 4.390 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1 225306244 NXVOKNHZAJUUDV-UHFFFAOYSA-N 353.853 4.083 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccc(C)c(C)c2)c1 223401861 JOBFONHFKFSAJX-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 224001454 AWPCZCXXKTVBHV-UHFFFAOYSA-N 374.506 4.023 0 40 FIAB Cc1cc(NC(=S)N[C@H](C)c2ccc(F)cc2)ccc1N1CCCC1=O 225474457 DJJKMQACDCARKM-CQSZACIVSA-N 371.481 4.309 0 40 FIAB CC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccc(F)cc2)n1 46012464 DQKUKACRJNHKLP-UHFFFAOYSA-N 355.369 4.017 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222735344 SATYYRXPCKGWBG-AEFFLSMTSA-N 369.461 4.109 0 40 FIAB Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)CC3CC(C)(C)C3)C2)cc1 583276751 PFEGGRIKEDDVAC-QGZVFWFLSA-N 371.525 4.181 0 40 FIAB CC(C)c1sc(Br)nc1C(=O)Nc1ccc2c(c1)OCO2 95480792 UJYVZDSHLQZTSN-UHFFFAOYSA-N 369.240 4.010 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cnnc(-c2ccccc2)c1 643923802 ANTQKDKTAIQNJE-OAQYLSRUSA-N 360.461 4.240 0 40 FIAB c1ccc(CCSCc2nnc3sc(Cc4cccs4)nn23)cc1 1772491200 LRBXQXZDOCOGAV-UHFFFAOYSA-N 372.544 4.314 0 40 FIAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCC[C@@H]1c1ccsc1 47791082 GKAMKIXBVWQPGF-CYBMUJFWSA-N 357.464 4.031 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102400338 SAGBPYVMMVLTFX-UHXUPSOCSA-N 352.272 4.012 0 40 FIAB CSc1ccccc1C(=O)N1CCC(COc2ccnc(C)c2)CC1 1775968092 OWOLXDZHGAPKSR-UHFFFAOYSA-N 356.491 4.043 0 40 FIAB Fc1ccc(CSc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1 5168012 YPIUTGUOQVUFEW-UHFFFAOYSA-N 354.385 4.362 0 40 FIAB Cc1ccc(C)c(-n2ncc3c2ncn2nc(-c4ccccc4C)nc32)c1 5204410 UIUPHLCQMKXULH-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)c1 5526584 QQRQDXQZDCCJPO-UHFFFAOYSA-N 360.719 4.023 0 40 FIAB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 5910469 XGKYZBNSUHFAMQ-MAZHCROVSA-N 368.502 4.104 0 40 FIAB COc1cccc(F)c1-c1nc(C(=O)Nc2nc(C)cs2)c(C)s1 11866053 DZJCQANLMHFBEU-UHFFFAOYSA-N 363.439 4.283 0 40 FIAB O=C(CCn1c(-c2ccncc2)cc2cccnc21)Nc1ccccc1F 12327967 XRLUVMIQFUNBNV-UHFFFAOYSA-N 360.392 4.266 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 17072725 JEQAZVNQCIMTJI-UHFFFAOYSA-N 350.443 4.235 0 40 FIAB Cc1ccc(-c2ncc(CN(Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 19663000 ALCOECWLPMXJPX-JOCHJYFZSA-N 374.488 4.028 0 40 FIAB CCN(CC)Cc1ccccc1NC(=O)c1cn2cc(Cl)ccc2n1 19716793 QDQNKGMGAQCOSY-UHFFFAOYSA-N 356.857 4.082 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3C)n2)c1 169890712 BEZYSVVZNHRMCX-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Cc1nc2ccc(NC(=O)c3cc(-c4cccc(F)c4)no3)cc2nc1C 19666780 PVKAHKIIMFQRCF-UHFFFAOYSA-N 362.364 4.293 0 40 FIAB O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1ccco1)Cc1cccs1 7217339 RDNJMJXYQBHOCD-UHFFFAOYSA-N 373.499 4.221 0 40 FIAB CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573821 RRIZPUACTLMKAS-UHFFFAOYSA-N 368.433 4.010 0 40 FIAB COc1ccccc1CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1 13537009 SILXJFMFUVXNBK-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB CC(=O)N1CCc2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2C1 38678137 IOKXGVJAXKNXLS-UHFFFAOYSA-N 368.502 4.103 0 40 FIAB COc1ccc(CNC(=O)NCc2ccc(-c3ccsc3)o2)cc1OC 575609720 FKMBKIJRXXPJCZ-UHFFFAOYSA-N 372.446 4.025 0 40 FIAB C=CCOc1ccccc1/C=C1/N=C(c2cc(Cl)ccc2OC)OC1=O 2173375 DJJHFBCGIXNRPT-LFIBNONCSA-N 369.804 4.258 0 40 FIAB COc1ccc(Nc2nnc(SCc3nnsc3Cl)s2)cc1 29828141 MEPHDVIVSXPFFY-UHFFFAOYSA-N 371.900 4.088 0 40 FIAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C(F)(F)F 30004529 ZVYVVVFQOBBBAH-ZDUSSCGKSA-N 371.424 4.302 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2C(C)C)cc1 1892693 OYQITOOXHLDZRS-UHFFFAOYSA-N 356.491 4.429 0 40 FIAB Cc1coc2cc3oc(=O)c(CCC(=O)NCCC(C)C)c(C)c3cc12 2150411 OSYZLSROIIVETG-UHFFFAOYSA-N 355.434 4.251 0 40 FIAB biogenic CCCCCCNC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 2406789 GNFXMVFVKIEWRI-UHFFFAOYSA-N 367.497 4.133 0 40 FIAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 3229735 GDBIIIPEJGBYIY-MDWZMJQESA-N 361.397 4.044 0 40 FIAB O=C(COc1ccc(Br)cc1F)Nc1ccccc1Cl 3404341 OWRYDTAWRSHJBE-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB Cc1ccc(N(Sc2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 4134891 UDJYQELDQXHZCN-INIZCTEOSA-N 365.907 4.473 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)CCc1c[nH]c2ccccc12 4286504 PTJXYENCRXEBFC-UHFFFAOYSA-N 351.402 4.055 0 40 FIAB O=C(O)c1ccccc1SCc1nc2ccccn2c1Br 4864581 MQSHEFPBVPIQSA-UHFFFAOYSA-N 363.236 4.087 0 40 FIAB Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 4888493 WYLKTLIORSKOSG-UHFFFAOYSA-N 371.868 4.075 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)NCc2ccccc2Cl)o1 4927693 JREOAQYYPKVNLZ-UHFFFAOYSA-N 373.865 4.107 0 40 FIAB CN(C)c1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 5083853 ZILYBYYUSYGLLI-UHFFFAOYSA-N 362.458 4.381 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1cccc(F)c1 5099336 OTFWESYIBZOKAT-UHFFFAOYSA-N 364.376 4.264 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC 6154091 AJAGJAFZVXOIKP-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1 6348332 GFKFVQSRNNIICX-PDGQHHTCSA-N 365.454 4.286 0 40 FIAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc1 6965795 RGASXMCYOZSXGO-YRNRMSPPSA-N 363.413 4.306 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccnc1SC 7424278 BNEGJUQSURZHFE-UHFFFAOYSA-N 371.414 4.083 0 40 FIAB O=C(c1ccco1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 7777674 KEHJEZXGTGNCKN-XBXARRHUSA-N 361.397 4.411 0 40 FIAB COc1ccc(-c2cnn3c(N)c(-c4ccc(Cl)cc4)cnc23)cc1 8730752 LAFCNVCEJNUMME-UHFFFAOYSA-N 350.809 4.308 0 40 FIAB CSc1cccc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)c1 8873186 HLEIYYIUYIMRLJ-UHFFFAOYSA-N 369.471 4.370 0 40 FIAB Cc1ccccc1NC(=O)c1cnc(Nc2nc3ccccc3o2)nc1C 8997170 AEQXQMCXNKOUAI-UHFFFAOYSA-N 359.389 4.231 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1OC(F)F 10114040 XFNGTPMJWLCWFF-UHFFFAOYSA-N 359.294 4.166 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1C 10709698 GOSGTSMEVXUEFH-UHFFFAOYSA-N 373.503 4.437 0 40 FIAB Cc1ccc(NC(=O)CNc2ccccc2Br)c(Cl)c1 11621140 UQCZDOVUNGOVTK-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB Cc1ccc(C[C@H](S[C@H](CC(=O)O)c2ccc(F)cc2)C(=O)O)cc1 12274235 CEQDKWGXAVOCGK-SJORKVTESA-N 362.422 4.079 0 40 FIAB CC(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 12420753 SYSBLEXUNQNZSJ-QGZVFWFLSA-N 350.447 4.025 0 40 FIAB COc1cccc(NC(=O)[C@@H](C)Nc2cc(C(C)(C)C)ccc2OC)c1 12594859 ROBZWEXTHLGQJC-CQSZACIVSA-N 356.466 4.440 0 40 FIAB Cc1ccccc1/C=C/c1nc(SCC(=O)N(C(C)C)C(C)C)n[nH]1 12845311 YEFYYTRKPRJSIG-ZHACJKMWSA-N 358.511 4.021 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nc2ccccc2s1 12901743 LPHVVKHREQZIIE-KRWDZBQOSA-N 363.442 4.199 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 12942431 ZRQMLELWWLWDKN-YADHBBJMSA-N 364.489 4.026 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 13685674 ICRQUUDGVNSDMG-ZDUSSCGKSA-N 374.868 4.274 0 40 FIAB Cc1nc2sccn2c(=O)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 13708016 SKNGRSLIUHRVIY-UHFFFAOYSA-N 369.233 4.015 0 40 FIAB C[C@@H](Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1ccccc1 14198803 HLJIMGPFMYUNIN-CYBMUJFWSA-N 358.488 4.387 0 40 FIAB Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)N(C)C)cc12 14241116 XYVGNIMXHFZFNZ-UHFFFAOYSA-N 368.289 4.463 0 40 FIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)Cc1ccccc1 14258116 SITZTEJOBHXKES-UHFFFAOYSA-N 360.392 4.049 0 40 FIAB CCOC(=O)c1c(NC(=O)Cc2c[nH]c3ccccc23)sc(C)c1C 16006814 IAKNCNPWCBRMAR-UHFFFAOYSA-N 356.447 4.204 0 40 FIAB COc1cc(OC)c(OC)cc1COC(=O)c1ccc(Cl)c(Cl)c1 18185663 YQVSQJNDNRNRTD-UHFFFAOYSA-N 371.216 4.376 0 40 FIAB Cc1occc1-c1nc(NCc2ccc(F)cc2)ncc1-c1cnccn1 19583101 NJEFMCDYEHHWFK-UHFFFAOYSA-N 361.380 4.253 0 40 FIAB COCc1ccc(OC)c(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19594371 OOLHBKQYIDEENV-KRWDZBQOSA-N 374.531 4.433 0 40 FIAB CCCC(CCC)C(=O)Nc1ccc(C(=O)OCCN(CC)CC)cc1 19897700 BBBLBWSGFUMKGQ-UHFFFAOYSA-N 362.514 4.340 0 40 FIAB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 19928212 JBHTWFXCXGDAHR-UHFFFAOYSA-N 372.881 4.418 0 40 FIAB CCOc1cc(C(=O)O)ccc1OCc1cccc(Br)c1 19990665 RPFAOYXTNICLBP-UHFFFAOYSA-N 351.196 4.125 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(Cl)cc1 20145058 KNMJLVGHJXBJBC-QPJJXVBHSA-N 366.200 4.352 0 40 FIAB O=C(Nc1ccccc1Cl)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20744512 PBOCCMIIYNVTNO-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 21985158 VUHJZBBCZGVNDZ-DPMXFYLUSA-N 362.897 4.181 0 40 FIAB CCOc1ccc(CCC(=O)Nc2cccc(NC(C)=O)c2)cc1OCC 22509287 ZMMZABUUFDHVQQ-UHFFFAOYSA-N 370.449 4.014 0 40 FIAB COc1ccc2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc2c1 22890446 JMOYUZHNIFLUSU-HNNXBMFYSA-N 360.479 4.007 0 40 FIAB CSCC[C@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1 24202121 WLOPRPSYHLEOHL-AWEZNQCLSA-N 355.492 4.474 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)c1 25425781 FXGVZMXKIBCQEE-NSHDSACASA-N 353.447 4.246 0 40 FIAB Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)c(C)n1Cc1ccco1 25439915 SSQIMXFKESAYKO-UHFFFAOYSA-N 361.445 4.200 0 40 FIAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccccc3Cl)[nH]c2c1 33063619 BPWGGLSOYMCDPY-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB CCc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 36635853 YDSIBHXWFYKFSU-AWEZNQCLSA-N 363.244 4.300 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 38756350 PATXNZPAKLQYOP-FQEVSTJZSA-N 372.896 4.155 0 40 FIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccc(CCO)cc1 40266291 PAYNJLIMLNMXGS-UHFFFAOYSA-N 370.452 4.482 0 40 FIAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1nc(C(C)(C)C)no1 48325218 PCVYFLRBOOZWFK-NSHDSACASA-N 370.482 4.209 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)c1ccccc1F 58159792 OCKQVCIXBDFSEA-UHFFFAOYSA-N 371.843 4.487 0 40 FIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc2cn[nH]c12 65514572 ABXBGBSDFMPGDU-UHFFFAOYSA-N 356.429 4.109 0 40 FIAB O=C(Nc1nc(-c2ccccc2)ns1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 65787442 HSRMXEGLYMSGBD-NEPJUHHUSA-N 370.400 4.448 0 40 FIAB Cc1ccc(-c2cc(NC(=O)c3cccc(NC(=O)C4CC4)c3)[nH]n2)s1 69325285 XNCKGVODAKDYNK-UHFFFAOYSA-N 366.446 4.047 0 40 FIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1C[C@@H]2CC[C@H](C1)N2C(C)C 72314354 CZBZHWSXZXUYLY-JLYLLQBASA-N 371.525 4.179 0 40 FIAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2cccc(Br)c2)c1 72329121 SHILFOBMTGSCLQ-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB C[C@@H](NC(=O)Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 84651795 WQSMXNDVDXTEBE-GFCCVEGCSA-N 367.430 4.422 0 40 FIAB CC1(C)CN(C(=O)Cc2cnn(-c3ccccc3)c2)C[C@@H]1c1ccccc1 84673608 VPHBLQGCQPGRPL-OAQYLSRUSA-N 359.473 4.067 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)c2cccs2)s1 90610560 JDTDGWASYQUWCQ-CYBMUJFWSA-N 371.483 4.124 0 40 FIAB CCOC(=O)/C=C/c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695401 FYVIFWMFIJIDDH-CMDGGOBGSA-N 364.367 4.410 0 40 FIAB CC(C)c1sc(Cl)nc1C(=O)N[C@@H](C)c1nc2ccccc2n1C 96232839 WTUXCSQCZNHJIY-JTQLQIEISA-N 362.886 4.298 0 40 FIAB Cc1ccsc1C(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261337 KLOHPDYKHQHGHB-RBUKOAKNSA-N 355.503 4.309 0 40 FIAB Fc1cccc(COc2ccc(C(=S)N3CCOCC3)cc2Cl)c1 107629848 BGANNCQZFUVIOT-UHFFFAOYSA-N 365.857 4.066 0 40 FIAB CC(C)n1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cn1 191568795 IFUMOTOYBMVCCU-UHFFFAOYSA-N 360.527 4.238 0 40 FIAB CC(C)c1ccc(CCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 222648085 OSUJEADIRKBRIF-UHFFFAOYSA-N 367.489 4.263 0 40 FIAB Cc1cnc(NC(=S)N[C@@H](C)c2ccccc2)c(Br)c1 223955501 NCAZTOTUTKTILF-NSHDSACASA-N 350.285 4.200 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC(C)C)cc2)c1 225446488 BQIJIPMWGPBLIZ-UHFFFAOYSA-N 372.490 4.055 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2cccc3ccccc23)s1 225506572 TVUTWENDRQABBS-NSHDSACASA-N 359.476 4.209 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)s1 225551545 CHKNKUCALFIYTK-LLVKDONJSA-N 371.915 4.490 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccccc1F 225686095 WJMVJHUINYPDBH-MRXNPFEDSA-N 360.454 4.423 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225739864 XGESMFSBNNJOMD-AWEZNQCLSA-N 369.371 4.198 0 40 FIAB CC(C)(C)CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225907944 OHSGOHNUVIBJLJ-AWEZNQCLSA-N 357.325 4.368 0 40 FIAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225979196 JOPRLQZPVRCUOA-UHFFFAOYSA-N 358.486 4.031 0 40 FIAB O=C(c1cccs1)N1CC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257302435 SCYGANYPOVCJAM-AWEZNQCLSA-N 356.422 4.096 0 40 FIAB O=C(NC1(c2cccs2)CCCC1)c1cncc(Br)c1 390827906 LVFGGXGYTIDQEY-UHFFFAOYSA-N 351.269 4.105 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 408657092 IKGCGGBTCZIAMW-SJORKVTESA-N 351.446 4.467 0 40 FIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)c(C)c3)S2)cc1 408785581 HPVDPHHWGJAURG-JKALPCAWSA-N 354.475 4.166 0 40 FIAB Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc2)n1 538003101 WCPOWIGMRVELMO-RTBURBONSA-N 363.392 4.459 0 40 FIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2c(Cl)cccc21 584387414 GIKLFDHRXPTMNT-MSOLQXFVSA-N 372.900 4.481 0 40 FIAB CNC(=O)c1cccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)c1 607791905 XTFJYQVHINOCQQ-UHFFFAOYSA-N 371.849 4.075 0 40 FIAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC1=CCCOC1 678130508 UUMNUALQAWJBGM-QGZVFWFLSA-N 350.462 4.278 0 40 FIAB OCC1(CNc2nc(-c3ccccn3)nc3sccc23)CCCCC1 1642370080 IKZPXVPVYLXNOU-UHFFFAOYSA-N 354.479 4.108 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CSc2nc3ccccc3o2)c1 909547 XBVNCKQBUUXLSC-UHFFFAOYSA-N 372.446 4.356 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)C(C)(C)C)c2)cc1 992836 VJUCIMJFIGAJQQ-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB Cc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1 1297142 UTDXGHMGCXLCKT-UHFFFAOYSA-N 354.413 4.448 0 40 FIAB in-vivo O=[P@]1(N2CCOCC2)OC(c2ccccc2)=CCN1c1ccccc1 1577786 GCDFPGGZUBAPTM-RUZDIDTESA-N 356.362 4.005 0 40 FIAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(Cl)c(Cl)c1 1972509 UDRKNKUSQUJSFN-UHFFFAOYSA-N 352.217 4.108 0 40 FIAB Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3ccccc3)s2)c1 2887815 USMLOLAKPQXWSD-UHFFFAOYSA-N 351.475 4.401 0 40 FIAB CN(C)C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3192659 AICNPCABIMNBQK-KRWDZBQOSA-N 354.277 4.022 0 40 FIAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2)cc1 3219695 GDXUYKCNAHLFFB-UHFFFAOYSA-N 374.506 4.058 0 40 FIAB COc1ccc(C[C@@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@H]23)cc1 4338639 PGNOGIIKLDFGGD-GGAORHGYSA-N 370.452 4.111 0 40 FIAB CC(C)c1ccc(C(=O)Nc2nnc(COc3ccccc3)s2)cc1 4695035 WAORWGOFYVIVLR-UHFFFAOYSA-N 353.447 4.493 0 40 FIAB Cc1ccc(NC(=O)c2sc(=S)n(Cc3ccccc3)c2N)cc1 4784342 AXVOBFXWIIUDID-UHFFFAOYSA-N 355.488 4.470 0 40 FIAB C[C@@H](Sc1nccn1C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 4805232 KAZWZNZQVJELNM-NXEZZACHSA-N 358.294 4.085 0 40 FIAB COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)cc1 4847675 GQEAQPZTFWCMAW-FQEVSTJZSA-N 369.513 4.008 0 40 FIAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 5120314 ZVABSUGQOUSXFG-UHFFFAOYSA-N 367.776 4.081 0 40 FIAB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1 5214800 FYAZJBOACDFVTB-LCYFTJDESA-N 357.207 4.003 0 40 FIAB C[C@@H]1CCCCN1c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 5215464 FDQXRMCKVLGTPF-GFCCVEGCSA-N 368.506 4.470 0 40 FIAB O=C(COC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(F)cc1 5311289 DYUZKZGRRMCENK-UHFFFAOYSA-N 364.372 4.444 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(Cl)c1 6480391 UIGOIERQXYAIGR-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB Cc1cccc2nc(C(=O)OCc3ncc(-c4ccc(Cl)cc4)o3)cn12 6976082 LOHKGUDYSSMQES-UHFFFAOYSA-N 367.792 4.308 0 40 FIAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc2ccccc2c1 7201028 TZMUQBOWJOANMF-HNNXBMFYSA-N 363.413 4.457 0 40 FIAB COc1ccc(NC(=O)Cc2sc(C)nc2-c2ccc(F)cc2)cc1 7652381 PBNVLEOLYIDTOA-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB Cc1ccc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)c1 7677645 HYVLXIRRFMXOAY-UHFFFAOYSA-N 368.546 4.176 0 40 FIAB Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(Cl)c1 7803495 QFAVTTNANNYAMJ-UHFFFAOYSA-N 373.808 4.205 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2csc(Nc3cccc(OC)c3)n2)c1C 7843691 AJLFVWBWPXRVSN-UHFFFAOYSA-N 357.435 4.294 0 40 FIAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CC=C(c2ccccc2)CC1 7990024 IUNWPNQKQGYWST-UHFFFAOYSA-N 355.821 4.041 0 40 FIAB COC[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 8036639 ZWRFSQAZBFRPFL-CYBMUJFWSA-N 354.837 4.320 0 40 FIAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)C1CC1 8132178 UBFBQLFLKZRQGF-HNNXBMFYSA-N 361.445 4.076 0 40 FIAB COc1cccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)c1O 8277360 HTDZUUBUYMWVTF-DHDCSXOGSA-N 374.849 4.254 0 40 FIAB Cc1cc(C)n2nc(SCCOc3cc(Cl)ccc3Cl)nc2n1 8393669 WJNAEOMNQMJRDI-UHFFFAOYSA-N 369.277 4.219 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)c(Cl)c2)n1 8477029 NHNXQPNJNMOWNX-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB COc1cc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1 8747354 ZNWWGMQZGKVNIQ-NSHDSACASA-N 368.355 4.162 0 40 FIAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)cc1 9470624 XZLOHYZABJPPNR-UHFFFAOYSA-N 364.445 4.034 0 40 FIAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C)c1 10225827 DORHZVVBNLYCRH-IBGZPJMESA-N 358.869 4.433 0 40 FIAB C[C@@H]1Cc2cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)ccc2O1 10299106 FMZCMYNJBPTPFP-GFCCVEGCSA-N 350.414 4.138 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 10925277 BWBZDJOCWZCTKE-UHFFFAOYSA-N 358.825 4.014 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(C(C)C)cc1 11328888 ZJEOENGGJBREGZ-UHFFFAOYSA-N 361.445 4.434 0 40 FIAB C[C@@H](CNC(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCCCC1 12223520 RVPGJUIZJZAJNS-KRWDZBQOSA-N 353.466 4.475 0 40 FIAB Cc1ccccc1-c1cc(CC2(C(=O)N[C@H](C)C(C)C)CCOCC2)on1 12365644 MUHNIUSFYKEQIA-QGZVFWFLSA-N 370.493 4.150 0 40 FIAB O=C(COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)NC1CCCC1 12567222 YZLOICOHEQEONN-UHFFFAOYSA-N 372.852 4.030 0 40 FIAB Cc1cccc(NC2=NN=C(c3ccc4c(c3)CCC(=O)N4)CS2)c1C 12645456 CYNMSUXXTMPNMY-UHFFFAOYSA-N 364.474 4.107 0 40 FIAB C[C@@H](CC(=O)Nc1ccccc1I)c1ccccc1 12786809 ZWKVCJIBGSCFSP-LBPRGKRZSA-N 365.214 4.424 0 40 FIAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C 12790564 BCRHRKUTLKJNED-UHFFFAOYSA-N 368.521 4.355 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)N2C[C@H](C)O[C@H](C)C2)cc1C 12946671 KPFVKDXYMAMYMY-IYBDPMFKSA-N 356.491 4.099 0 40 FIAB O=c1[nH]c2ccccc2cc1CN(Cc1ccccc1)c1ccc(O)cc1 13564267 TZNKOMCWMJKTGP-UHFFFAOYSA-N 356.425 4.441 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)n2c(nc3ccccc32)N1 13634988 DUINPKHJLSSVHN-QGZVFWFLSA-N 353.447 4.338 0 40 FIAB FC(F)(F)c1nn(-c2ccccc2)c2c1CN(Cc1ccccc1)CC2 14248168 LXDMZHIEIABZFU-UHFFFAOYSA-N 357.379 4.449 0 40 FIAB COC(=O)c1sccc1NC(=O)c1sc(-c2cccs2)nc1C 15606747 OTBQQQOFDOFAKC-UHFFFAOYSA-N 364.473 4.280 0 40 FIAB C[C@@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 15620033 XSAKVBKTZHOXID-GOSISDBHSA-N 372.468 4.351 0 40 FIAB CC(C)NC(=S)Nc1cccc2c(NC(=S)NC(C)C)cccc12 16575462 AUVQMTNVUUJHTC-UHFFFAOYSA-N 360.552 4.229 0 40 FIAB CCCn1c(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)nc2ccccc21 19526019 PAIOBYWMHBNFGH-FUHWJXTLSA-N 352.482 4.244 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2C)cc1 20110982 DOXYYGMQOOMOBI-FQEVSTJZSA-N 361.507 4.210 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)NCc3ccccc3)ccc21 22507934 DTKCVPLUMNLIBM-UHFFFAOYSA-N 365.477 4.334 0 40 FIAB Cc1c(C(=O)Nc2cnc3c(c2)c(C)nn3C)oc2ccc(Cl)cc12 24033049 WDRIKJTWCWGIQX-UHFFFAOYSA-N 354.797 4.237 0 40 FIAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)c1nc(C(C)(C)C)no1 24046325 HRJGDEGGJWCLDT-SNVBAGLBSA-N 363.874 4.455 0 40 FIAB CCc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)c1 24832636 CNYAJQIJHXTHQI-QGZVFWFLSA-N 350.462 4.364 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)N2c3ccccc3C[C@H]2C)o1 27980252 LFUFKVAKTPQTCI-OAHLLOKOSA-N 363.413 4.459 0 40 FIAB O=C(NCCc1cccc(Cl)c1)N[C@@H](c1ccccc1)c1ccccn1 29338276 JLTRHRNJMDXHMF-FQEVSTJZSA-N 365.864 4.366 0 40 FIAB O=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2Cl)CC1 30616971 RDKXXPZUZOFHEV-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 30750929 YGUFUMZDBGAJGY-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)N[C@@H](c1cccs1)C1CCCC1 31803976 UOWGRPOHCLREAV-HXUWFJFHSA-N 357.475 4.457 0 40 FIAB O=C(Cc1cnc(-n2cccc2)s1)Nc1cccc(C(F)(F)F)c1 32072015 USMLQKDWFGYCNG-UHFFFAOYSA-N 351.353 4.134 0 40 FIAB CCOc1cc(CO)c(Br)cc1OCc1cccc(F)c1 34772845 XMZXKHZJBRPTQE-UHFFFAOYSA-N 355.203 4.058 0 40 FIAB Cc1ccsc1/C=C1/N=C(S)N(c2ccc(OC(F)F)cc2)C1=O 34857231 SBRCUTBQSGKOOV-XYOKQWHBSA-N 366.414 4.331 0 40 FIAB CCOc1ccc2c(c1)c1nnc(SCc3ccccc3F)nc1n2C 35314402 IICSBIMXKKEJEI-UHFFFAOYSA-N 368.437 4.347 0 40 FIAB C[C@H](NC(=O)CSCc1cccs1)c1cccc(OC(F)F)c1 36397915 CPBZEOICUJEKNK-NSHDSACASA-N 357.447 4.460 0 40 FIAB O=C(Nc1cccnc1)c1csc(Nc2ccc(OC(F)F)cc2)n1 36704672 RPFZVORAUINJAR-UHFFFAOYSA-N 362.361 4.135 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(N)cc2Br)ccc1Cl 37275277 YPTSWXYUQUYDDS-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 38757235 WXXAVLBVOJUEHY-QGZVFWFLSA-N 370.301 4.490 0 40 FIAB O=C1C[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2N1 40117526 TUZQJNZPCCLCCC-GHTZIAJQSA-N 366.436 4.299 0 40 FIAB O=C(CCn1ccc2c(Br)cccc21)NCc1cccs1 40287473 AGSCEZNCNAEQMQ-UHFFFAOYSA-N 363.280 4.172 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1cccs1 42484271 YUCGMAFOVIJIMZ-CYBMUJFWSA-N 368.380 4.010 0 40 FIAB C[C@@H](c1ccccc1)n1cnn(CN2CCc3ccccc3C2)c1=S 48343178 BQNSFJVMOHQETE-INIZCTEOSA-N 350.491 4.039 0 40 FIAB Cc1ccc(CCC(=O)Nc2cccc(CN3CCSCC3)c2)c(C)c1 58085790 STQJQYDYPGXBPR-UHFFFAOYSA-N 368.546 4.424 0 40 FIAB Cc1ccc(C)c(C(=O)Nc2ccc(CN3CCSCC3)cc2C)c1 58213826 QIPRIWCNURIPJO-UHFFFAOYSA-N 354.519 4.413 0 40 FIAB Cc1nnc([C@H]2Cc3ccccc3CN2Cc2csc(C(C)C)n2)o1 58418979 FZCUFCKFCSMBFY-QGZVFWFLSA-N 354.479 4.258 0 40 FIAB COc1cccc(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)c1 63519385 VMDXBYMHEZMBMW-UHFFFAOYSA-N 350.403 4.118 0 40 FIAB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(C(C)C)cc2)cc1C 67283876 IYPCUYPBWOXNKR-UHFFFAOYSA-N 363.465 4.219 0 40 FIAB Cc1cc(C(=O)CSc2nccc(C(F)(F)F)n2)c(C)n1C1CC1 68744441 XXBXAASCBHTNDW-UHFFFAOYSA-N 355.385 4.224 0 40 FIAB COc1cc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)cc(OC)c1OC 71977617 BDLMFYUXYUDPFZ-UHFFFAOYSA-N 371.824 4.072 0 40 FIAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCc3ccccc3C2)c1 78762423 OLSBEHMQEYVSFX-SANMLTNESA-N 370.518 4.324 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)NC1(c2ccc(F)cc2)CCC1 89780549 FNTOVOXAYPTVPV-UHFFFAOYSA-N 352.369 4.077 0 40 FIAB Cc1occc1C(=O)NC1CCN(Cc2cnc(C3CCCC3)s2)CC1 93009993 LDQJUHKVEJSJMU-UHFFFAOYSA-N 373.522 4.097 0 40 FIAB O=C(COc1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)ccn1 97236413 VAMBXGATKUUHDE-UHFFFAOYSA-N 364.245 4.137 0 40 FIAB COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)cc1 100424970 SCAGAINRVULABU-NHCUHLMSSA-N 364.489 4.011 0 40 FIAB CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 102707670 UHPFMGZMAVKYRF-JYAXBFRTSA-N 363.457 4.267 0 40 FIAB COCCn1c(-c2ccc(NC(C)=O)cc2)cs/c1=N/c1ccccc1 104739585 PFSKJAHYFVQEEU-LSDHQDQOSA-N 367.474 4.054 0 40 FIAB COc1cccc2cc(C(=O)NCc3cncc(-c4ccsc4)c3)oc12 206944088 ABEIOQZTINUZOT-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB O=C(CCC(=O)N1CCS[C@@H](c2ccccc2)CC1)c1ccccc1 218970648 OWRQZZGMROFLNI-HXUWFJFHSA-N 353.487 4.356 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 219316885 DWHOONBBTRQIFC-NRFANRHFSA-N 355.478 4.300 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222976587 JOGPTAAXVXFYQC-CVEARBPZSA-N 353.462 4.219 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1 224334955 MUMNYHWCVREWAM-QGZVFWFLSA-N 369.530 4.382 0 40 FIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 224342134 XNPRBOJGBKSHFF-UXHICEINSA-N 362.502 4.160 0 40 FIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1c(F)cccc1F 225810844 FNIIJCRZNCZSMP-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB CCc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccc(F)cc3)CC1)O2 225817598 NJTZOPYAXDVBOA-UHFFFAOYSA-N 353.437 4.388 0 40 FIAB COC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1 226333343 AYDRQYDBLYATGU-VQHVLOKHSA-N 365.198 4.353 0 40 FIAB COc1ccccc1[C@H]1C[C@@](C)(NC(=O)C(C)C)[C@@H]2CC[C@@H](C)C[C@H]2O1 257211931 CBCZTCOQFDPSHL-XSGQZRFPSA-N 359.510 4.492 0 40 FIAB Cc1csc(-c2cc(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)n1 257343271 ZSGHJNNNPVDNKW-AWEZNQCLSA-N 374.510 4.098 0 40 FIAB COc1ccc(CC(=O)Sc2nnc(-c3ccccc3Cl)o2)cc1 408587721 UAFZZPXDGFUXOY-UHFFFAOYSA-N 360.822 4.260 0 40 FIAB Brc1ccc(-n2cc(-c3nc(-c4ccsc4)no3)cn2)cc1 520278044 AOMVZYQDMHYONA-UHFFFAOYSA-N 373.235 4.413 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)Nc1cccc2ccccc12)N(C)C 11004841 BJUIVUXDBSAKBC-HXUWFJFHSA-N 363.461 4.273 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)SCC(=O)N2 2453150 JFHCYKCSDUIZKC-SFHVURJKSA-N 353.422 4.095 0 40 FIAB CCN1CCC[C@@H]1CNC(=S)Nc1ccc(Oc2ccccc2)cc1 5939047 ZKAXCJLBWMWYJU-QGZVFWFLSA-N 355.507 4.250 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)c2c1CCC2 11326536 OGOLPDNOJFVVCW-UHFFFAOYSA-N 355.800 4.406 0 40 FIAB COc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 2685812 JCMGAXSQIBOSJA-WMZOPIPTSA-N 357.494 4.083 0 40 FIAB C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccsc3)CC2)c2ccccc21 31780845 GZQUQKVGDLDVFF-OAHLLOKOSA-N 368.502 4.141 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1c(OC)cccc1OC 6940454 TZPXHHDDJJMART-ZDUSSCGKSA-N 372.490 4.344 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3ncsc3c2)c(OC)c1 11549005 OHKSZGPZNAXQQS-KRWDZBQOSA-N 368.458 4.291 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(Cl)c1)SCC(O)=N2 20720837 XOLROXIMHFMFGT-OAHLLOKOSA-N 371.853 4.048 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)n1 32578684 VCJQCDPSIOOGNI-UHFFFAOYSA-N 373.359 4.156 0 40 FIAB O=C(c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1)N1CCCC1 8343069 UQAGQTSJSSEMJI-UHFFFAOYSA-N 351.837 4.429 0 40 FIAB C/C=C/C(=O)OCC(=O)N(c1ccc(Nc2ccccc2)cc1)C(C)C 10733315 USYNZQIWUFDRQF-XBXARRHUSA-N 352.434 4.291 0 40 FIAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NCc1cccc(Cl)c1 11865941 APQOFBHSCGWYQI-QGZVFWFLSA-N 374.893 4.292 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccccc2)CC1 9062856 BTSSTDRUTRLEIP-LJQANCHMSA-N 350.506 4.036 0 40 FIAB Cc1cccc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)c1C 21800661 DUAIYLNJANCMEU-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 105058418 JRYWDPOALXMHOX-QGZVFWFLSA-N 355.478 4.253 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 852263 ZVCUMVRTUIAHBY-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB COc1ccncc1NC(=O)c1ccccc1C(=O)c1cc(C)ccc1C 89611983 VRODVHJKRUKITO-UHFFFAOYSA-N 360.413 4.190 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2cnc(-c3ccccc3F)s2)cc1 12389422 AJJFUNGXQDZXDS-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB O=C(O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3cccs3)nc21 12395260 GOCXHLAVUJQLGO-UHFFFAOYSA-N 367.352 4.141 0 40 FIAB Cc1ccc([C@H](NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2)cc1 24042205 NVHGQYDLXFEDPR-LJQANCHMSA-N 373.378 4.116 0 40 FIAB O=C(NCc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 25228152 DPCSJAYJDBDDGJ-UHFFFAOYSA-N 351.431 4.322 0 40 FIAB COc1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 22738806 JOKLBVOPIIGCEH-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCCCc1ccccc1 12550183 CYXFZURKXPAPSF-UHFFFAOYSA-N 359.882 4.057 0 40 FIAB COC(=O)N1CCC(NC(=O)c2cc3sc4ccccc4c3s2)CC1 57446802 HITOGKSBRPQEGO-UHFFFAOYSA-N 374.487 4.077 0 40 FIAB C[C@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccncc1 12543238 JFNNQNPNJRBKHM-ZDUSSCGKSA-N 357.504 4.441 0 40 FIAB COc1ccc(CCNC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 57994477 AJLHSWQMOVYHPA-UHFFFAOYSA-N 367.489 4.265 0 40 FIAB COc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 10133919 HNJDODRQOSITAX-UHFFFAOYSA-N 374.444 4.079 0 40 FIAB C[C@]1(C(=O)OCC(=O)c2cc(Cl)ccc2Cl)CC1(Cl)Cl 3259558 FWXBIKTZLXMFNR-GFCCVEGCSA-N 356.032 4.303 0 40 FIAB Cc1nc2ccc(C(=O)Nc3ccccc3NCC(F)(F)F)cc2nc1C 58419062 RUNRBLINXBQLMR-UHFFFAOYSA-N 374.366 4.473 0 40 FIAB COc1cc(SC)ccc1C(=O)NCc1coc(-c2cccs2)n1 10876484 WXLIXAUOIRQYGC-UHFFFAOYSA-N 360.460 4.064 0 40 FIAB O=C(NCCC1=CCCCC1)c1cnc2c(cnn2Cc2ccccc2)c1 12770840 OUBHBTOHPGSBTC-UHFFFAOYSA-N 360.461 4.100 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 28247252 VWBNASINPPCMMF-UHFFFAOYSA-N 369.852 4.332 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc(Cl)c3ccccc3c2O)cc1 3465917 XAWVBNUSDJQPGT-UHFFFAOYSA-N 354.793 4.410 0 40 FIAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC1CCCCC1 3446820 QEAVSISTNZELDV-UHFFFAOYSA-N 363.885 4.144 0 40 FIAB O=c1c2ccccc2ncn1Cc1nc(-c2ccccc2)c2ccccc2n1 12983477 MMTYKNRJPQNVSK-UHFFFAOYSA-N 364.408 4.055 0 40 FIAB O=C(NC[C@@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2F)o1 12921191 SRXVOUJHNWLSQP-AWEZNQCLSA-N 366.392 4.057 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(=O)c2ccccc2o1 7349183 QWEHZADZFSSKGE-UHFFFAOYSA-N 351.402 4.351 0 40 FIAB Cn1c2ccccc2n2c(SCCOc3ccc(Cl)cc3)nnc12 3656491 JOHRVMJBLPWNOP-UHFFFAOYSA-N 358.854 4.046 0 40 FIAB Clc1cc(CSc2ncnc3sccc23)cc2c1OCCO2 8427861 JZYQSQYXLULXBG-UHFFFAOYSA-N 350.852 4.408 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(/C=C/c2nc3ccccc3s2)cc1 38895935 IYTCMWSUAKFEFW-SDNWHVSQSA-N 372.515 4.497 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 4026970 OJRADRUMJUVRPG-BQJUDKOJSA-N 356.462 4.211 0 40 FIAB biogenic Clc1cccc(OCCN2CCN(c3nsc4ccccc34)CC2)c1 13720704 JOXKKBVLXFDECE-UHFFFAOYSA-N 373.909 4.151 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H](C)SCc1ccccc1 20461474 UPCWRJJRFFMTDU-MRXNPFEDSA-N 365.502 4.119 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccnc2)cc1 6332269 LKCIOEIXHNDLNR-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB COc1cc2c(cc1NC(=O)CC(C)(C)CC(=O)O)oc1ccccc12 16481292 BJKTZZARBSXLGI-UHFFFAOYSA-N 355.390 4.424 0 40 FIAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)NC1CCCCCC1 14019499 QKNBUQFWKJTSGP-UHFFFAOYSA-N 366.461 4.157 0 40 FIAB O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccc(-c2ccccc2)cc1 65562784 ZASGCPOTDOTHKH-UHFFFAOYSA-N 354.413 4.069 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 14157892 DCJHHZKTSNIRGD-UHFFFAOYSA-N 371.458 4.468 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc2c(c1)OCCCO2 14108275 JCEUBEWVZQEBMZ-YVZNUBBCSA-N 355.459 4.069 0 40 FIAB COc1cccc(OC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 4539612 WZVVSMQYNPBZKJ-UHFFFAOYSA-N 365.168 4.328 0 40 FIAB O=C(CSc1nnc2n1CCCCC2)Nc1c(Cl)cccc1Cl 4580230 WIJJXJZDQZMADX-UHFFFAOYSA-N 371.293 4.042 0 40 FIAB Cc1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccccc2)cc1Cl 4690635 SXVRGYSFQTZPFO-CQSZACIVSA-N 358.869 4.320 0 40 FIAB COC(=O)c1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 5832686 HMPQDKFMNIOTIO-GXDHUFHOSA-N 353.399 4.098 0 40 FIAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(Oc2cnccn2)cc1 69871771 FVVAZJVSXCJAFX-UHFFFAOYSA-N 366.425 4.307 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 8753238 HUMOWCNCJNBKNA-UHFFFAOYSA-N 367.380 4.010 0 40 FIAB COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9338154 SRWOSHRPXGBIQG-FQEVSTJZSA-N 371.440 4.285 0 40 FIAB CCCCc1ccc2nc(NC(=O)c3cnc(SC)nc3)sc2c1 408528552 FJSSCMKZEVWJFJ-UHFFFAOYSA-N 358.492 4.403 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)c2nccc3ccccc23)cc1 72330305 CMFYVVRYKQLQGV-UHFFFAOYSA-N 362.429 4.373 0 40 FIAB O=C(NC1CCSCC1)c1ccccc1C(=O)c1ccc(Cl)cc1 84501541 SJBCNJYDTUCMCG-UHFFFAOYSA-N 359.878 4.196 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1N1CCCC1=O 20456378 FLDCZUKLWAQZIP-UHFFFAOYSA-N 372.490 4.046 0 40 FIAB COc1ccc([C@@H](NC(=O)/C=C/c2ccc3c(c2)CCO3)C(C)C)cc1 25158197 UOJNAVVWIZPRLH-PXWJQCMDSA-N 351.446 4.157 0 40 FIAB Cc1cccc([C@H]2CCCCN2C(=O)c2ccc(-n3cnnc3)cc2)c1C 173517233 VMSURTFBVJARBK-OAQYLSRUSA-N 360.461 4.252 0 40 FIAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1c(F)cccc1Cl 32754749 XVFHRZAYDLXTKI-UHFFFAOYSA-N 367.758 4.496 0 40 FIAB Cc1cccc(Cn2nc(C)c(NC(=O)c3cccc(N(C)C)c3)c2C)c1 32610608 SQDNSVGBHIRJQR-UHFFFAOYSA-N 362.477 4.175 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 187957018 DRAKTHGABRQUQF-UHFFFAOYSA-N 366.845 4.309 0 40 FIAB COc1ccc2c(c1)CCCN(C(=O)N[C@@H](C)c1cc(F)ccc1OC)C2 524192105 VQYYFVYPWAHDEN-AWEZNQCLSA-N 372.440 4.062 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3c(C)nn(C)c3n2)cc1 36613317 IUDSQJLUALXUNF-UHFFFAOYSA-N 362.477 4.124 0 40 FIAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39750066 PMKRWVFGUXGPHX-GOSISDBHSA-N 366.505 4.093 0 40 FIAB Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1Br 74941261 GPWDALULNWKCDI-UHFFFAOYSA-N 361.305 4.329 0 40 FIAB Cc1cc(OCC(=O)n2c(C)c(CO)c3ccccc32)cc(C)c1Cl 216787723 JHKPLLXGSDGLBG-UHFFFAOYSA-N 357.837 4.431 0 40 FIAB Cc1ccccc1CNC(=S)Nc1ccc(Br)cc1F 225309463 FXXLLWPFFYSAQA-UHFFFAOYSA-N 353.260 4.383 0 40 FIAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1CSc1ccccc1 224650186 ACVQYDFXIIHBPV-GOSISDBHSA-N 371.502 4.286 0 40 FIAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C(=O)OCC 225816833 NPBVFWFHZPHTBC-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB CCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc12 41095245 JDBDOFMTBDMING-CRAIPNDOSA-N 361.507 4.486 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C)cc1C 224468407 RCWYSEYLMONPFA-LJQANCHMSA-N 355.478 4.273 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCCOc3cccc(C)c3C)no2)cc1C 41156445 IKALLALUIPDLFN-UHFFFAOYSA-N 364.445 4.384 0 40 FIAB C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253623281 OAZITJUUAWYFTF-YZOXOBBQSA-N 360.494 4.066 0 40 FIAB O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccsc1 96102967 YLISGNGKUZKPMO-UHFFFAOYSA-N 362.414 4.036 0 40 FIAB O=C(NCCn1ccc(-c2cccs2)n1)C1(c2cccs2)CCCC1 96103843 YWXQZGBATWRFNG-UHFFFAOYSA-N 371.531 4.301 0 40 FIAB CO[C@@](C)(CNC(=O)C1(c2cccs2)CCCC1)c1ccccc1F 96123504 KPDQXHNDWBBUGN-IBGZPJMESA-N 361.482 4.377 0 40 FIAB CCCCN(CCOC)C(=O)Cc1csc(-c2ccccc2Cl)n1 68114140 NYMORJWWFIUSHF-UHFFFAOYSA-N 366.914 4.281 0 40 FIAB COCCNc1ccc(CNC(=O)N2CCCC3(CCCC3)CC2)cc1 1616043747 IAKDXTQWRJADOV-UHFFFAOYSA-N 359.514 4.001 0 40 FIAB COc1ccc(-c2ocnc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 12220694 WEHYYRAWCPVUQQ-HNNXBMFYSA-N 350.418 4.101 0 40 FIAB Cc1nccc(-c2ccc(-c3noc(CN4[C@@H](C)CCC[C@@H]4C)n3)cc2)n1 12337081 BSOJNMAWSBVCCP-GJZGRUSLSA-N 363.465 4.265 0 40 FIAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N[C@@H]3CCc4ccccc43)c2C)no1 12985368 NKDQLDCTRIFBIG-WAEYIKQSSA-N 361.445 4.207 0 40 FIAB FC(F)c1cc([C@@H]2CN(Cc3ccncc3)C[C@H]2c2ccccc2)n[nH]1 19373744 XAXWMQYNDOUGFU-DLBZAZTESA-N 354.404 4.126 0 40 FIAB COc1ccc(-c2ncc(CN3CCn4cccc4[C@@H]3C(C)C)cn2)cc1 19446152 GTUJYBWROQJSGV-NRFANRHFSA-N 362.477 4.167 0 40 FIAB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(OC)c1C 8276324 VNKHVZKDVCAREB-IXMFVRRYSA-N 362.495 4.101 0 40 FIAB CC(=O)n1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)c2ccccc21 1735986 BDMUIPWGDJGUGT-YVLHZVERSA-N 364.788 4.299 0 40 FIAB Cc1ccc(CCC(=O)N2[C@H]3CC[C@H]2CC(Oc2ccncc2)C3)cc1C 238838178 HFHNUVKCDRWQQG-PMACEKPBSA-N 364.489 4.232 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)cc2C)c(OC)c1 15829884 KKDKHOZOZQNFIQ-LJQANCHMSA-N 369.461 4.063 0 40 FIAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C/C=C/c2ccccc2)nn1 1888854719 XDUMHDSREKVYMX-XZRXLXLESA-N 350.510 4.457 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)Oc1ccc(N2CCCC2=O)cc1 26867791 CALJMSUZTKGJST-UHFFFAOYSA-N 372.424 4.403 0 40 FIAB O=S(=O)(Nc1cccc(OC2CCCC2)c1)c1ccc(F)c(F)c1F 28260061 NDLVWBNBSJWNNX-UHFFFAOYSA-N 371.380 4.226 0 40 FIAB O=C(O)c1cc(NC(=O)c2ccccc2Br)ccc1Cl 20137812 DPBXPNHSTJQJSV-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 1446198 PAUMRPXWECBEGT-UHFFFAOYSA-N 369.461 4.326 0 40 FIAB CCCCNc1nc(SCC(=O)Nc2nccs2)nc2ccccc12 2941561 VCXQUQYQNAAWBC-UHFFFAOYSA-N 373.507 4.029 0 40 FIAB Cc1ccc(Cc2nnc(NC(=O)c3nc4ccccc4s3)o2)c(C)c1 8922350 MJZQWCWDNMWLSA-UHFFFAOYSA-N 364.430 4.139 0 40 FIAB O=C(CSCc1ccccc1)Nc1nnc(CSc2ccccc2)o1 10612654 CPQANUROYAQRHV-UHFFFAOYSA-N 371.487 4.234 0 40 FIAB Cc1cc(C)c2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc2c1 15391714 WYBBQXWCGMIHEY-UHFFFAOYSA-N 357.523 4.142 0 40 FIAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC(C)CC3)c(O)n2n1 22853306 HXFUDGRVRBTZHS-INIZCTEOSA-N 374.485 4.019 0 40 FIAB CCOc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 4086846 ROTLASSNVMOCHX-QHCPKHFHSA-N 365.497 4.044 0 40 FIAB C[C@@H]1Cc2ccccc2N1C1CCN(c2ncnc3ccsc23)CC1 40135251 BDVITLDJMWETNA-CQSZACIVSA-N 350.491 4.111 0 40 FIAB CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1 40104020 UQYIMJREHVHGMZ-MRXNPFEDSA-N 353.466 4.424 0 40 FIAB CC(C)OC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 1342684 PMWUBZNMXMPBQR-UHFFFAOYSA-N 352.459 4.264 0 40 FIAB O=C(Nc1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359905 CUSGGMYPUDBZKU-HNNXBMFYSA-N 366.396 4.287 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2)N3)C1 2295092 YGDOCPYWPSUIRU-PXAZEXFGSA-N 356.491 4.459 0 40 FIAB CCC[C@H](NC(=O)c1ccc(Br)o1)c1nc2ccccc2[nH]1 2369000 DFTAXIZNTZXFKI-LBPRGKRZSA-N 362.227 4.190 0 40 FIAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1cccc2cccnc12 2465274 ANDKIECPDBRVNU-UHFFFAOYSA-N 374.465 4.303 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccn(Cc4ccccc4C)n3)no2)cc1 2797694 JWVFDRLCXQAMCY-UHFFFAOYSA-N 372.428 4.456 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)Nc2cc(Cl)c(OC)cc2OC)cc1 3354489 TWVQOCRHDIAVKA-LBPRGKRZSA-N 362.857 4.359 0 40 FIAB C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc(F)c(F)c3)cc2C1 3385199 ZXXAIKGMLPVMDS-JTQLQIEISA-N 350.386 4.191 0 40 FIAB Cc1c(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nc2ncccn12 4033204 YOVZCQZBMAXLPR-UHFFFAOYSA-N 364.355 4.235 0 40 FIAB CCCCOc1ccc(-c2nnn(CC(=O)c3ccc(Cl)cc3)n2)cc1 4130088 GHCDPXGZRJTVEC-UHFFFAOYSA-N 370.840 4.055 0 40 FIAB O[C@H](CNC1CCCC1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4320494 ZIOICHLDYKLZBY-SOSWSAFESA-N 369.549 4.426 0 40 FIAB COc1ccc(C(=O)Oc2cccc3cccnc23)cc1Br 4672009 UKFMCJJGNWLASI-UHFFFAOYSA-N 358.191 4.225 0 40 FIAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@@]1(C)CC[C@]2(C)OC(C)=O 4887310 IEWADZBTFLSQKS-HJNYFJLDSA-N 354.446 4.106 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(F)cc1Cl 4969548 KRSMODHQJVPNFT-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB COc1ccc(OCCCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 5671706 KFVWLMZKGUEWFJ-UHFFFAOYSA-N 369.339 4.392 0 40 FIAB COc1ccc([C@H](CNc2ncnc3sc(C)c(C)c23)N(C)C)cc1 6628141 HGLOPJZRUUMYDY-INIZCTEOSA-N 356.495 4.032 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1 6931844 QKCVZYAVPICWMJ-UHFFFAOYSA-N 372.896 4.398 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 7307143 CEFYHYVZCMRSJT-OAQYLSRUSA-N 367.470 4.072 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 7513368 SDJSYBSEXZZPJM-SNVBAGLBSA-N 370.207 4.167 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)c(C)c1 7928054 VKSWYHNLHKZUBK-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928398 HRHHGZHCWCKNOK-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CC(=O)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7929099 MIYPRMPXPRJAKY-QGZVFWFLSA-N 373.408 4.001 0 40 FIAB COCCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 8469135 MANSUGRTYMACPK-UHFFFAOYSA-N 370.276 4.317 0 40 FIAB COc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC)cc32)cc1 8680807 NGDMYUQFCUUXSR-UHFFFAOYSA-N 363.442 4.199 0 40 FIAB CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)c1ccc(Cl)cc1 9341875 TUEZKVCQUSTNMM-UHFFFAOYSA-N 370.840 4.023 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 9347053 LIRZIZKPTYRTBS-MRVPVSSYSA-N 359.929 4.423 0 40 FIAB Cc1cccc(CSc2nc3nc(C)c(-c4ccccc4)c(N)n3n2)c1 9489183 BVGAGDOXJAYTND-UHFFFAOYSA-N 361.474 4.283 0 40 FIAB O=C(Nc1ccnn1Cc1ccsc1)c1ccc(Br)cc1 9690441 NVXTVUHQPZXWJU-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCSc2ccccc21 10215856 XKDIYIABYGSITH-GOSISDBHSA-N 363.486 4.456 0 40 FIAB Cc1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c2cnn(C(C)C)c2n1 10966132 NACOERSNQMEWEQ-GFCCVEGCSA-N 358.392 4.090 0 40 FIAB CN(Cc1ccccc1OC[C@H]1CCCO1)Cc1cccc2ncccc12 12191748 DNSLHXUKMRBATF-HXUWFJFHSA-N 362.473 4.425 0 40 FIAB Nc1c(C(=O)NC2CCCCC2)sc(=S)n1-c1ccccc1F 12416070 XXZSAMDZCAEXFX-UHFFFAOYSA-N 351.472 4.052 0 40 FIAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1C)O[C@@H](C)C2 12564911 QZJDTZKEKRFYNV-LSDHHAIUSA-N 354.450 4.156 0 40 FIAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 12705916 QYVVMXVRWDAJTG-GYHWCHFESA-N 374.396 4.197 0 40 FIAB CC(C)[C@@H](NC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)OCCCO2 12782508 CTAOJPRMPRRKFF-OAQYLSRUSA-N 368.477 4.387 0 40 FIAB CCc1ccc([C@@H](NCc2ccc(C(N)=O)cc2)c2cccc(F)c2)cc1 12915635 ULSDEFCUCIJWCV-JOCHJYFZSA-N 362.448 4.366 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2nc3ccccc3s2)c(C)c1 13013607 QGCGURLEMJFRNS-HNNXBMFYSA-N 353.491 4.372 0 40 FIAB CCN(CC)c1ccc(NCc2cc3ccc(OC)cc3[nH]c2=O)c(C)c1 13086676 MTAFDNRWFDWIIZ-UHFFFAOYSA-N 365.477 4.303 0 40 FIAB C[C@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cccs1 14226758 MCWVJELSFKWLLQ-AWEZNQCLSA-N 358.507 4.043 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 18702547 SSMCIHYRJCSYGU-LLVKDONJSA-N 359.838 4.265 0 40 FIAB O=C(C1CC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19343528 MBLYLWQQNAHIKO-GUDVDZBRSA-N 372.559 4.036 0 40 FIAB Cc1nc(C)c(CC(=O)Nc2ccccc2CN2CCCCCC2)s1 19560551 IUHVLRXEXPGJNR-UHFFFAOYSA-N 357.523 4.317 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c(NCCCOC(C)C)ncnc21 20661985 WCQMWCZYSVLXRD-UHFFFAOYSA-N 359.861 4.004 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1C 20899432 LHIIDRTWRPRAMB-INIZCTEOSA-N 365.433 4.376 0 40 FIAB CN1CCN([C@H]2Cc3ccc(O)cc3Sc3ccc(Cl)cc32)CC1 22859654 HDUCYHDSWYYLFG-KRWDZBQOSA-N 360.910 4.041 0 40 FIAB Cc1cc(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c(C)n1C(C)C 23186460 HWEKAGJHCPMEEU-NRFANRHFSA-N 358.457 4.081 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSCCOc1ccc(C)cc1 23412326 GIXJVLXUQICBRX-UHFFFAOYSA-N 365.882 4.408 0 40 FIAB CCc1ccc(CCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24115499 UCRXRIZZMFNNHZ-UHFFFAOYSA-N 350.506 4.094 0 40 FIAB CCOc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3F)sc2c1 24538320 BCEHGFLWYRLKDF-NSHDSACASA-N 360.410 4.240 0 40 FIAB Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cn1 26440778 GSZITVMNABMWKS-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB CCCCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl 27823847 KFXGEZQEBUONTI-CZUORRHYSA-N 359.919 4.376 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)CCc2nnc(-c3ccsc3)o2)cc1 32754157 IFKDANCIMWIVQL-QGZVFWFLSA-N 367.474 4.403 0 40 FIAB C[C@@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1F 32778889 XBPVWAAASFOLFZ-SNVBAGLBSA-N 363.439 4.198 0 40 FIAB O=C(N[C@@H]1CCc2ccccc21)C1(c2ccc3c(c2)OCCO3)CCCC1 32843599 NLKRNIRFNCSTKK-LJQANCHMSA-N 363.457 4.073 0 40 FIAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(F)cc(F)c1 32924693 LXVMMJVKYVDJJL-UHFFFAOYSA-N 358.319 4.221 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 38832822 DUJMFFOAICBBPW-APWZRJJASA-N 356.897 4.429 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 40150743 BKSCFMJLMJMBRZ-QGZVFWFLSA-N 351.450 4.186 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)c1 40309392 UMKGYDIFTOCUSY-INIZCTEOSA-N 362.385 4.308 0 40 FIAB biogenic Cc1cc(C(=O)NCCC2=CCCCC2)c2nc3n(c2n1)CCCCC3 45888615 VOQQOTISAILWRJ-UHFFFAOYSA-N 352.482 4.086 0 40 FIAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCO[C@H](c2ccc(F)cc2)C1 46059487 BQSXSAUMFVHXPS-KSSFIOAISA-N 353.397 4.010 0 40 FIAB COc1cc2c(cc1C(=O)Nc1cccc(C(F)(F)F)c1)OCCCO2 46077847 YIZYBEIRWUXUBD-UHFFFAOYSA-N 367.323 4.128 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccccc1C(F)(F)F 48137621 GPABIDLGKQKBIE-UHFFFAOYSA-N 374.362 4.336 0 40 FIAB O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1ccc(Cl)cc1F 51354034 ACNJPGXRNKNZJE-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB O=C(CSc1nncs1)Nc1cccc(C2SCCCS2)c1 55038230 BQXUTTPEPPGOCA-UHFFFAOYSA-N 369.562 4.138 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3Cl)n[nH]2)c(OC)c1 57413059 XTJKWIKPXDSINA-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB COc1ccc2c(c1)N[C@@]1(CCCN(Cc3ccccc3)C1)c1cccn1-2 57773409 JVHDFVZYOBSZHG-HSZRJFAPSA-N 359.473 4.403 0 40 FIAB O=C(CSCc1ccccc1)N(Cc1ccccn1)Cc1ccco1 62018044 IVTOOCWFBZIDTL-UHFFFAOYSA-N 352.459 4.137 0 40 FIAB Cc1ccc(S(=O)(=O)NC2(c3ccc(F)cc3)CCC2)c2cccnc12 63347030 RRIZRIVSXGHQBA-UHFFFAOYSA-N 370.449 4.040 0 40 FIAB CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)c1 67339865 NRXDYCJHBZROJC-CSKARUKUSA-N 365.385 4.270 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C=O)cn1)C1CCCC1 72215549 XMIPFVGMABOTQL-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1Cl 72227940 XYFULWJPYFRXTF-HUUCEWRRSA-N 371.651 4.071 0 40 FIAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1nccs1 72406001 QQCZEEMFFYMVGG-UHFFFAOYSA-N 363.442 4.316 0 40 FIAB CCN(C(=O)c1oc(-c2ccccc2)nc1C)c1ccccc1C(=O)OC 73764993 PYCPBPJHBHXQFQ-UHFFFAOYSA-N 364.401 4.103 0 40 FIAB Cc1nc(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)sc1C 76092069 CMJZMFMKGADHMV-QGZVFWFLSA-N 359.495 4.054 0 40 FIAB CC(C)n1cc(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 79193216 NZHDYSSAFQYVBW-GHTZIAJQSA-N 367.537 4.145 0 40 FIAB biogenic CC(C)c1nn(-c2ccccc2)cc1CNc1ccc([S@](C)=O)c(F)c1 95971968 VJIBEEYERFUDDH-AREMUKBSSA-N 371.481 4.484 0 40 FIAB CCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1C(F)(F)F 96097151 BXFZDTXNDMPPTM-UHFFFAOYSA-N 362.355 4.407 0 40 FIAB O=C(Nc1cccnc1SCc1ccccn1)c1c(F)cccc1F 96224149 FUKRWVZKMYRQSY-UHFFFAOYSA-N 357.385 4.299 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 106145404 LZXNERIFFIEZDF-VCBZYWHSSA-N 359.853 4.096 0 40 FIAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 138402583 UVKNHTFYQOQBFX-UHFFFAOYSA-N 372.490 4.315 0 40 FIAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218956980 FFWMAONQMGHJGK-LJQANCHMSA-N 353.462 4.355 0 40 FIAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC 222576877 UEMQGOJQZBZZSB-FASAQXTFSA-N 369.490 4.078 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)CC1 224331376 CEHMWWKPRYLQKL-IBGZPJMESA-N 350.506 4.452 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(F)c(Cl)c2)cc1 224597268 NWZUSAFCKSLZNN-UHFFFAOYSA-N 357.834 4.093 0 40 FIAB CCc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1 224840138 VIFNPYZYNGXKMR-UHFFFAOYSA-N 364.533 4.484 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ncccc2OC)cc1 225502164 AFWILQQKDBHEPU-INIZCTEOSA-N 359.495 4.173 0 40 FIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc2c(c1)OCO2 225659088 BRAXWKMZNWMIGY-AWEZNQCLSA-N 356.491 4.458 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCC1 225706901 MPPOWVKJPOJCOB-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2C)c1 225766023 PVEJZKAIUTUTJN-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB COC(=O)c1cc(Br)ccc1-c1cc2ccccc2oc1=O 226357522 BZAZWBAAUHGWID-UHFFFAOYSA-N 359.175 4.009 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl 243809008 QPIKVNQUGNSDAZ-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)CCCOc2ccc(Cl)cc2)c1 248008106 WUJSMUTWYFYHHM-UHFFFAOYSA-N 361.825 4.233 0 40 FIAB COc1cccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)c1 408627849 OKGQMTOLDHMLDF-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NNc1ccccc1 408628173 QGDAPLGKJNQIIR-VQHVLOKHSA-N 366.273 4.024 0 40 FIAB CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409229428 OXOLQEACBZFOPQ-JYRVWZFOSA-N 351.189 4.166 0 40 FIAB O=C(Nc1ccc2ccoc2c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 558418686 AHUZOGMKMHCDFZ-HSALFYBXSA-N 362.429 4.469 0 40 FIAB COc1cccc(C[C@@H]2CCCN2Cc2ccc3oc(C(=O)O)cc3c2)c1 566358848 MXCGYTRESRCKOG-SFHVURJKSA-N 365.429 4.347 0 40 FIAB O=C(NCc1cncc(-c2ccoc2)c1)c1cc(Br)cs1 575620389 MSXRWGCBYNJZCE-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB O=C(c1ccccc1)N1CC[C@H](C(=O)N2CCC[C@@H]2CCC2CCCC2)C1 626182452 LJUCVXBXRSAMHD-LEWJYISDSA-N 368.521 4.110 0 40 FIAB CC(C)[C@@H]1N(C(=O)NCC2(c3ccccc3)CCOCC2)CC12CC=CC2 645178544 JXRIBXQLXDSXJL-FQEVSTJZSA-N 368.521 4.121 0 40 FIAB COc1ccccc1C1(C(=O)NC[C@@H](c2ccsc2)c2ccco2)CC1 670479643 GRNWOQJPXLGCRR-INIZCTEOSA-N 367.470 4.330 0 40 FIAB COc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c(O)c1CC=C(C)C 896816 AZPLXDBZIQMMMT-UHFFFAOYSA-N 368.385 4.094 0 40 FIAB biogenic,in-vitro Cc1ccc2cc3c(N)c(C(=O)Nc4ncc(C)s4)sc3nc2c1 906831 PPUAZEJVPSUCTK-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB O=C(Oc1cccc(O)c1)c1cc(Br)ccc1Br 1006664 JKGIGCACHLTQPI-UHFFFAOYSA-N 372.012 4.136 0 40 FIAB CC(C)[C@H](O)c1cnc(OCc2ccccc2)nc1OCc1ccccc1 1508048 ROHJSATVIKCCKC-FQEVSTJZSA-N 364.445 4.324 0 40 FIAB CC[C@H](C)OC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2434978 JWKMITUSPXSZFD-ZDUSSCGKSA-N 354.454 4.168 0 40 FIAB Cc1ccc2oc(-c3ccccc3)c/c(=N\CCCN3CCOCC3)c2c1 2549439 AJTGAEIRVSFPAH-DARPEHSRSA-N 362.473 4.031 0 40 FIAB Nc1cc(C(F)(F)F)c(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1 2577660 ADPVYJGFTKHWMV-UHFFFAOYSA-N 370.179 4.427 0 40 FIAB CCCc1ccc(C(=O)[C@@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 3340852 QPSCGSSMUOUSIV-CQSZACIVSA-N 354.479 4.057 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1OC 3345006 UXADHXZQVQETIP-UHFFFAOYSA-N 351.349 4.338 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(F)cc1 3353112 ZXQRNUOOFRBUGL-UHFFFAOYSA-N 365.360 4.386 0 40 FIAB CCCCCOc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 3765115 GBXXFOGDRGEMNO-IBGZPJMESA-N 355.434 4.201 0 40 FIAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1F 4700243 CXMVCKWAOIKIST-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1 4941997 YJAGORUFHSXTCP-UHFFFAOYSA-N 368.391 4.237 0 40 FIAB CCOc1c(Br)cc(C(=O)Nc2ccccc2F)cc1OC 6215695 WWWQJEDJNGBJJR-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(Cl)c1Cl 6441434 BKDOXKVTZNSSTD-UHFFFAOYSA-N 368.188 4.081 0 40 FIAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nn12 6452472 ZKNKEVYFVAOCEO-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB COc1ccccc1Nc1nnc(-c2ccc(OC(C)C)c(OC)c2)o1 6831151 LYZPIAINEVCDGT-UHFFFAOYSA-N 355.394 4.285 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 6966373 BOYHGJFNBPUVTE-MRXNPFEDSA-N 374.937 4.478 0 40 FIAB O=C(CCc1nc2ccccc2s1)OCc1cc(-c2ccco2)on1 7153509 YIMQRICSULIQON-UHFFFAOYSA-N 354.387 4.220 0 40 FIAB COc1cccc(NC(=O)CSc2nnc(SCC(C)C)s2)c1 7231987 PUOGUPKVJKPEQK-UHFFFAOYSA-N 369.537 4.026 0 40 FIAB CC(C)(C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 7442071 NEEPVYOCHXQZPS-UHFFFAOYSA-N 373.836 4.364 0 40 FIAB Cc1nnc(S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)O)o1 7603512 QHYQQASDUOPCNE-BOPFTXTBSA-N 368.414 4.175 0 40 FIAB COc1ccc(-c2noc(COC(=O)CCC3CCCCC3)n2)cc1OC 8523237 GKNYUWUNBXVBBV-UHFFFAOYSA-N 374.437 4.158 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1 8856526 REOGQQSLDNBECP-UHFFFAOYSA-N 354.435 4.031 0 40 FIAB Cc1nc2c(=O)n(Cc3ccc(F)cc3)nc(-c3ccc(F)cc3)c2s1 8955537 FZZZTOUVTXIDOU-UHFFFAOYSA-N 369.396 4.155 0 40 FIAB Cc1ccc(C(=O)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 9255841 OJEIBGMLWQQGDD-UHFFFAOYSA-N 358.369 4.218 0 40 FIAB C[S@](=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 10412571 ATDMEHHCYVPGDN-NPMXOYFQSA-N 365.907 4.044 0 40 FIAB O=C(Nc1cc(F)cc(F)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 10491164 HPGMTZAHOMYXIU-UHFFFAOYSA-N 357.335 4.031 0 40 FIAB CC(C)c1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc2c1 12144323 BLXOTTSKQJYEAR-UHFFFAOYSA-N 350.418 4.035 0 40 FIAB CC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2ccco2)cc1 12219444 RXZILELSQKOOSP-LJQANCHMSA-N 366.442 4.087 0 40 FIAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCCCCC1 12594309 DPSGBAYRISQFNO-UHFFFAOYSA-N 360.461 4.010 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1 12600830 HMJMEJBDWAXIPD-CQSZACIVSA-N 370.522 4.020 0 40 FIAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1 13475779 IBFKTUXGPUONQZ-JQBYJRRVSA-N 351.405 4.083 0 40 FIAB biogenic C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)c1ccc(F)c(F)c1 14675409 OEXBLWWTALLGNQ-YGNAEDSMSA-N 367.351 4.341 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 15539455 NPFQITMNVNKDMI-XMMPIXPASA-N 370.496 4.287 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 15960595 NNSYLELNCFGORK-GFCCVEGCSA-N 354.475 4.496 0 40 FIAB Cc1c(C(=O)CSc2nc(O)c3ccccc3n2)c2ccccc2n1C 17841474 PJDSKMDZRFBUMU-UHFFFAOYSA-N 363.442 4.111 0 40 FIAB biogenic,in-vitro CCCCC(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3o2)c1 20157734 MAWNYTWOUFWZRX-UHFFFAOYSA-N 368.389 4.087 0 40 FIAB CCOc1ccc(C(=O)NCC2(c3ccc(OC)cc3)CCCC2)cc1 21691224 LSISOUDZTOEKBW-UHFFFAOYSA-N 353.462 4.336 0 40 FIAB CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)c1ccccc1 23182548 XPRRJJDXSXLYTE-FGZHOGPDSA-N 368.521 4.388 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)OCc1ccccc1Cl 23884850 NEWNKSSCPVGKQG-UHFFFAOYSA-N 374.820 4.208 0 40 FIAB Cc1cc(C)cc(N[C@H](c2ccc(OC(F)F)cc2)P(=O)(O)O)c1 24769731 ONEQRTZDJVTDFG-HNNXBMFYSA-N 357.293 4.193 0 40 FIAB FC(F)(F)c1cnc(Sc2nc(-c3ccncc3)n[nH]2)c(Cl)c1 25053439 HVZWQNXIOHKLOH-UHFFFAOYSA-N 357.748 4.085 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1 28403533 RLAWLKKEIZZCIO-OAHLLOKOSA-N 355.463 4.016 0 40 FIAB O=C(CNc1ccccc1N1CCCCCC1)Nc1ccc(F)c(F)c1 29399962 DLVQITAQUVBQRL-UHFFFAOYSA-N 359.420 4.396 0 40 FIAB CCc1nnsc1C(=O)Oc1ccc2cc(Br)ccc2c1 32740623 ISYXJGIKVSITOL-UHFFFAOYSA-N 363.236 4.235 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 35289626 DKGWBUDRQIRPMF-LJQANCHMSA-N 351.450 4.247 0 40 FIAB C[C@H]1CC=CC[C@H]1COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 36397244 LIOACNNRSKTPMZ-HOTGVXAUSA-N 374.458 4.013 0 40 FIAB CCn1ncc(-c2cc(C(F)F)nc(NCc3ccc(F)cc3)n2)c1C 36614232 BCUKMGFDMCJTSI-UHFFFAOYSA-N 361.371 4.357 0 40 FIAB CC(C)n1nccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 40161360 GRAGSQLZXXCQPS-NEPJUHHUSA-N 369.296 4.449 0 40 FIAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1ccc(F)cc1Cl 42707172 KUXXQMPWNGHRJP-UHFFFAOYSA-N 359.788 4.007 0 40 FIAB O=C(NCC(F)(F)F)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 45950236 YHMMZKXDQUUXHR-UHFFFAOYSA-N 369.730 4.078 0 40 FIAB COc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CCC(C)C)cc1 49466902 GNZCLLYZCXYADJ-WOJBJXKFSA-N 367.445 4.107 0 40 FIAB COc1cc(OC)c(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1Cl 51315684 CRLAIFSOCCXXHX-UHFFFAOYSA-N 363.826 4.061 0 40 FIAB CC[C@H](C)[C@H](NC(=O)CCc1c(C)noc1C)c1nc2ccccc2[nH]1 54635669 LFLHPLQNTARSHE-BUXKBTBVSA-N 354.454 4.004 0 40 FIAB O=C(CC[S@](=O)Cc1ccc(Cl)cc1Cl)Nc1ccccc1 58098093 NCXBJAPQMVTAMR-JOCHJYFZSA-N 356.274 4.271 0 40 FIAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1ccc(-c2nncn2C)cc1 58146123 DIEFICIKONFVAW-LJQANCHMSA-N 361.449 4.160 0 40 FIAB FC(F)n1ccnc1CNc1cc(Cl)ccc1OC[C@H]1CCCO1 72312470 ZLIGNZHEHXJXQM-GFCCVEGCSA-N 357.788 4.102 0 40 FIAB CN(C)CCN(Cc1ccco1)C(=O)CCc1ccc(Cl)cc1Cl 79071208 AHBBYOIWEYDGFA-UHFFFAOYSA-N 369.292 4.109 0 40 FIAB O=C(Cc1cccc(F)c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 84564784 PPHORIIGZZDTIT-SFHVURJKSA-N 365.408 4.172 0 40 FIAB O=C(CSCc1ccccc1)N1CCC(CSc2ccccn2)CC1 85557503 VOQALEGFHLWFLH-UHFFFAOYSA-N 372.559 4.346 0 40 FIAB CCOc1ccc(N[C@@](C)(CC)c2nnnn2-c2c(C)cccc2C)cc1 102191740 RDMXOOBZZQUUTL-NRFANRHFSA-N 365.481 4.415 0 40 FIAB O=c1nc2n(nc1-c1ccccc1)[C@@H](c1ccc(F)cc1)Nc1ccccc1-2 102347242 BOJYOAULYCZRCL-FQEVSTJZSA-N 370.387 4.084 0 40 FIAB CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@@H](OC2CCCC2)c2ccccc2)CCO1 108147007 ZPYOIUQSVRMCCP-HOJAQTOUSA-N 359.510 4.397 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)n1c(C)c(C(=O)O)c2ccccc21 216772978 ZYZKNRHLTPQQBP-UHFFFAOYSA-N 357.793 4.329 0 40 FIAB Cc1ccccc1NC(=O)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219245681 BACNYIMHECMJJJ-IBGZPJMESA-N 370.474 4.436 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc2c(c1)OCO2 222653686 NQWYHYURQOJLOV-QGZVFWFLSA-N 367.445 4.075 0 40 FIAB CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222664206 AVYQVMSOMAIFIC-MNEFBYGVSA-N 353.491 4.460 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccccc2F)c1 222702777 QUDFIIONHCQNKQ-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224941067 KFMUSHWBDFWODR-UHFFFAOYSA-N 366.216 4.487 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCSc2ccccc2)c1C 225284967 RLWXNSHKZTZVKX-UHFFFAOYSA-N 374.531 4.250 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225338912 KGLUWDWTOSOICR-UHFFFAOYSA-N 365.260 4.267 0 40 FIAB CC1CCN(CCCNC(=O)CCc2c(Cl)cccc2Cl)CC1 225354599 ZVBCFFQXGOZTPC-UHFFFAOYSA-N 357.325 4.164 0 40 FIAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c(OC)c1 225575947 WNTTWCRBCRGCNU-INIZCTEOSA-N 372.490 4.293 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CCSc3ccccc3)s2)cc1 225605001 CUQBJLOEDJHIKH-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccccc2C)c1 225753891 FFIIRXCKCPCOHQ-GFCCVEGCSA-N 362.882 4.483 0 40 FIAB CCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225873304 FPAJBNGHKJERET-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB COc1c(C(=O)Nc2ccccc2N)cc2ccccc2c1Br 226347570 AQOORYJQMAHBDW-UHFFFAOYSA-N 371.234 4.445 0 40 FIAB COc1ccc(CN(Cc2ccc(OC)cc2)[C@H]2CC[C@H](O)CC2)cc1 242463754 DJGFPMDLJPTTTL-MXVIHJGJSA-N 355.478 4.010 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 244339933 XSYGRMVKZVUOKB-IBGZPJMESA-N 364.489 4.365 0 40 FIAB CCOc1ccc(N(Cc2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1 408628504 YFPAGVGAEYRBHA-UHFFFAOYSA-N 374.289 4.358 0 40 FIAB COc1cccc(-c2nnc(SC(=O)Cc3ccc(Cl)cc3)o2)c1 408647210 BIMYNWDWOOBFQX-UHFFFAOYSA-N 360.822 4.260 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 408655466 HCBXDJRXOABTMY-LJQANCHMSA-N 359.425 4.361 0 40 FIAB Fc1ccc2c(C3CCN(c4ncnc5ccsc45)CC3)noc2c1 558598573 DWSWHPLQDAMNIG-UHFFFAOYSA-N 354.410 4.356 0 40 FIAB CCC[C@@]1(CO)CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 585085608 AKFRNGHZYRWCQX-JOCHJYFZSA-N 352.478 4.363 0 40 FIAB CCC(=O)Nc1ccc(C)c(NC(=O)N2CC(Cc3ccc(C)cc3)C2)c1 585100395 VYCVYRMINWPAAL-UHFFFAOYSA-N 365.477 4.358 0 40 FIAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)cc1 629698407 FETSYOMIRFNKTB-WQFQCULDSA-N 371.452 4.100 0 40 FIAB C[C@@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cnn(C(C)(C)C)c1 663249116 DPAGZOVNFRYKBX-LBPRGKRZSA-N 374.428 4.333 0 40 FIAB COc1cc(NC(=O)N2CCC(C3CCC3)CC2)cc(Cl)c1OC 667288042 YGNJPEZMIYEUBD-UHFFFAOYSA-N 352.862 4.401 0 40 FIAB Cc1c(-c2ccccc2)[nH]c2cc(I)ccc2c1=O 685938076 BNLPWPOSFFMNFB-UHFFFAOYSA-N 361.182 4.108 0 40 FIAB Cc1cccc(-c2cccc(C(=O)N[C@@H](C)C(=O)NCc3ccccc3)c2)c1 1125386068 XGOHMTGJDNBMQV-SFHVURJKSA-N 372.468 4.097 0 40 FIAB F[C@@H]1CCCN(Cc2cc(Br)cc(Br)c2)C1 1137844731 XBCYLSRSWGOSFR-GFCCVEGCSA-N 351.057 4.146 0 40 FIAB O=C(N[C@@H](c1cccs1)C1CCOCC1)NC12CC3CC(CC(C3)C1)C2 1565522835 ABRNBFVDNFOONS-KXDMBUCYSA-N 374.550 4.484 0 40 FIAB Cn1c(CNC[C@@H]2CCc3ccccc32)nc2cc(C(F)(F)F)ccc21 1655623256 PONLRLZAEHEXIS-AWEZNQCLSA-N 359.395 4.412 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 856422 CHVPKJDMJIZQKF-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccnc1Cl 908790 CQPZDXMAVSEYJN-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB CCOC(=O)c1c(NC(=O)c2noc3c2CCCCC3)sc(C)c1C 2498143 FAVFQMPCINXTKO-UHFFFAOYSA-N 362.451 4.051 0 40 FIAB CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 2777917 XNXUELOSQOEMNU-UONOGXRCSA-N 353.344 4.365 0 40 FIAB C[n+]1ccccc1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3344454 SPFLIVSTLFZEKD-UHFFFAOYSA-N 357.462 4.181 0 40 FIAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1Cc1ccccc1 3411528 ADZBNOSEAYEWAM-UHFFFAOYSA-N 372.881 4.019 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(F)cc2Br)cc1C 3607828 YJDHSETZAMWGMC-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB Oc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 4103326 DVVPDZMOHQSTLB-UHFFFAOYSA-N 359.385 4.048 0 40 FIAB COC(=O)c1ccccc1NCn1nc(-c2ccc(C)cc2)oc1=S 4560439 UZOJOWUVQWKQBK-UHFFFAOYSA-N 355.419 4.037 0 40 FIAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C(C)C)cc1 4815038 CJDAPESAGIQMLS-UXHICEINSA-N 360.461 4.310 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)cc1 4880649 AMZCVYXKQKPRPL-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB CCC(=O)OC1(c2ccccc2)CCN(CCNc2ccccc2)CC1 5010854 LKMFRYVYGGGAOC-UHFFFAOYSA-N 352.478 4.043 0 40 FIAB CC[C@H](C)[C@H](C(=O)O)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 5031256 UAJTZFAZHIEZAX-MAUKXSAKSA-N 350.418 4.127 0 40 FIAB Cc1nc2ccc(NC(=O)CSc3nc4ccccc4n3C)cc2s1 5265069 LZSFJYKAMKMKMD-UHFFFAOYSA-N 368.487 4.222 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 5267789 YZCRUNWLNNZRLO-LLVKDONJSA-N 373.503 4.413 0 40 FIAB CC(C)c1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1 5404314 RMCFVMZPNBRQBP-UHFFFAOYSA-N 354.475 4.278 0 40 FIAB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCCC1=O 5439989 CLCPDJCRGGCDTR-UHFFFAOYSA-N 362.351 4.393 0 40 FIAB COc1ccc(SCC(=O)Nc2ccccc2Br)cc1 5661659 IYQSBPOJSWPSCJ-UHFFFAOYSA-N 352.253 4.189 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c(C)c1 5780757 NBYOLRJIGQAPFA-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CC[C@H](C)NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 6485990 WNDXNNXQAHXFSE-LBPRGKRZSA-N 365.882 4.043 0 40 FIAB Cn1ccnc1C(=O)c1cc(SCc2ccccc2)nc2ccccc12 6552583 LIHXXAHDOAGMLF-UHFFFAOYSA-N 359.454 4.492 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 6587773 JLGOZZPAEZVDPG-IRXDYDNUSA-N 367.445 4.425 0 40 FIAB C[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1ccccc1F 6601782 PCEFDFUZTVAVTN-ZDUSSCGKSA-N 368.364 4.077 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)cc2NC1=O 6863557 GNZPEOUNWWNPMC-PXRHCINRSA-N 370.518 4.066 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccc(Cn2nnc3ccccc32)cc1 7749973 VSKCLNJOJRWBTM-UHFFFAOYSA-N 362.820 4.385 0 40 FIAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 7780215 LAVJQYWVJLSXDL-GOSISDBHSA-N 350.462 4.106 0 40 FIAB Cn1c(CNC(=O)c2ccccc2COc2ccccc2)nc2ccccc21 8165575 DANSALQSIAVFLO-UHFFFAOYSA-N 371.440 4.082 0 40 FIAB CCOc1ccc(CCNC(=O)c2ccc(Cl)s2)cc1OCC 8352186 UTYTYAXXXMQUJK-UHFFFAOYSA-N 353.871 4.171 0 40 FIAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC(C)C)cc1 8753862 JMQBBMSQUNMDJZ-UHFFFAOYSA-N 354.425 4.440 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccccc1S(C)(=O)=O 9113072 FTBIJRSXWCHLMT-UHFFFAOYSA-N 365.882 4.121 0 40 FIAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 12177184 ZMUWYVBOZNCRGY-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB CCOc1cc(CCC(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)on1 12195604 BEDZQLUVTRNJGY-UHFFFAOYSA-N 353.422 4.005 0 40 FIAB Cc1ccnn1CCNCc1cc(-c2ccccc2)cnc1-c1ccncc1 12233849 MCBOLJKFCUHWGH-UHFFFAOYSA-N 369.472 4.105 0 40 FIAB c1ccc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)nc1 12251468 ZZCPFPGYUVRZNE-UHFFFAOYSA-N 351.460 4.336 0 40 FIAB S=c1[nH]nc(-c2cncc(Br)c2)n1-c1ccccc1Cl 12324839 JOOQVSICJWEJSN-UHFFFAOYSA-N 367.659 4.408 0 40 FIAB COCc1c(C(=O)Nc2ccccc2N2CCCC2)oc2ccccc12 12557869 VXYAGVATYCDNNF-UHFFFAOYSA-N 350.418 4.432 0 40 FIAB c1ccc2c(NCc3ccc4c(c3)OCO4)nc(-c3ccncc3)nc2c1 12772749 WRUVTBMNNJINBX-UHFFFAOYSA-N 356.385 4.033 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc21 13253440 LKDILFQDXLKRLR-DLBZAZTESA-N 362.429 4.420 0 40 FIAB O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCCCC1 14254839 RRZPSDMCUFDBGZ-UHFFFAOYSA-N 355.825 4.412 0 40 FIAB CC(C)[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(F)cc1 14712215 PSHFHVKPEKPVLK-SFHVURJKSA-N 354.429 4.278 0 40 FIAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CC(C)C)ccc2C)c1 15950428 MTIXVEPYMIKWHX-UHFFFAOYSA-N 360.479 4.089 0 40 FIAB Cc1cc(Cl)ccc1Nc1nc(NC2CCCC2)nc2c1cnn2C 17011253 KALHGTKSRKQXHF-UHFFFAOYSA-N 356.861 4.423 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(N2CCCC2=O)c1 18232633 LJUVTOVPWVTJKH-UHFFFAOYSA-N 371.440 4.436 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1Cl 20105637 SYCHUKGKTAZBHH-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2-c2nc(Cc3ccccc3)no2)cn1 22464419 XXRJSUJRRWUUPE-UHFFFAOYSA-N 370.412 4.283 0 40 FIAB C[C@@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(Cl)cc2s1 24562641 KZTVVFYHZWONIB-SECBINFHSA-N 350.802 4.495 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1csc(COc2ccc(F)cc2)n1 24753933 INRATKXQABMYNQ-UHFFFAOYSA-N 364.348 4.392 0 40 FIAB Cc1c(C(=O)N[C@@H](C)CCC(C)C)sc2nc(-c3ccco3)[nH]c(=O)c12 24864971 NHIDWUQOVUDRAW-NSHDSACASA-N 373.478 4.108 0 40 FIAB COc1ccc(C(=O)C2CCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 25063853 WFDQUOMUSXCTEB-AWEZNQCLSA-N 371.481 4.032 0 40 FIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)c2ccc3c(c2)OCO3)c1 26045823 IIXITBPVOPLUSY-UHFFFAOYSA-N 366.442 4.193 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 27581771 GQONCRCGWWMNMX-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 28403611 MBDYYQLCPZDRRE-SFHVURJKSA-N 363.461 4.263 0 40 FIAB CCCCn1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)c1Cl 28582880 HQVYHOHPKHZYGM-UHFFFAOYSA-N 358.873 4.099 0 40 FIAB CC1(C)CC(NC(=O)c2ccccc2COc2ccccc2)CC(C)(C)N1 28786318 IEQNHYSVPNHCKT-UHFFFAOYSA-N 366.505 4.305 0 40 FIAB CCOC(=O)COc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 32035046 QZHSZAAFFKAQRA-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB O=C(CCCc1nnc(-c2ccccc2)o1)N[C@@H]1CCCc2ccccc21 32476791 VHYOQQFGLFVLKJ-LJQANCHMSA-N 361.445 4.253 0 40 FIAB CCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1OC 36226671 IMCZYRBHZOYYSC-UHFFFAOYSA-N 365.813 4.017 0 40 FIAB COc1ccc(NC(=O)Cc2c(SC)c3cc(C)ccc3n2C)cc1 36610851 GVKAIAQAUFMRTQ-UHFFFAOYSA-N 354.475 4.398 0 40 FIAB Cc1cc(C(=O)N(C)C2CCCCC2)c2cnn(-c3ccccc3F)c2n1 36616093 SNYCDKIOEDNZLD-UHFFFAOYSA-N 366.440 4.273 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)NCc1ccccc1CN(C)C 40099154 SJSXFOGRMBAFLJ-UHFFFAOYSA-N 361.873 4.040 0 40 FIAB COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1 43565451 BJZNSMPPACSISJ-UHFFFAOYSA-N 354.631 4.041 0 40 FIAB CN(Cc1ccccc1CNC(=O)c1cccnc1S)C1CCCCC1 58162693 GUCMZDVULVBHRP-UHFFFAOYSA-N 369.534 4.065 0 40 FIAB Cc1cccc(-c2noc(C[S@](=O)Cc3ccc(F)cc3Cl)n2)c1 58393998 UFVNOKBTAQQAGR-DEOSSOPVSA-N 364.829 4.286 0 40 FIAB Cc1noc(C2CCN(C(=O)N[C@@H](c3cccs3)C3CCCC3)CC2)n1 61865090 IGIKPBJHXNAZQU-QGZVFWFLSA-N 374.510 4.260 0 40 FIAB CCNC(=O)[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1 61906125 QZFJAMOWNUNMME-GFCCVEGCSA-N 362.823 4.097 0 40 FIAB O=c1[nH]c(-c2ccnc(Oc3ccccc3Cl)c2)nc2ccsc12 63579947 NUCYNTMFINXFKA-UHFFFAOYSA-N 355.806 4.492 0 40 FIAB CCc1ccc(N2CCN(C(=O)c3cc(C)nc4ccccc34)CC2)cc1 72303411 GRJPNKPOOWTMNH-UHFFFAOYSA-N 359.473 4.068 0 40 FIAB O=C(Nc1cccc(I)c1)N1CCC[C@H]2CCC[C@@H]21 79019441 ITDCYMGPUFVSRA-RISCZKNCSA-N 370.234 4.088 0 40 FIAB O=C(NCc1nc2ccccc2s1)Nc1cccnc1N1CCCCC1 84603467 WJRUYWRBBBUXOQ-UHFFFAOYSA-N 367.478 4.003 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(-n2cccc2)cc1 84606465 RBKFBWIPBKVECV-LEWJYISDSA-N 364.420 4.267 0 40 FIAB CCOc1cc(Cl)ccc1NC(=O)Nc1ccc(C(N)=O)c(Cl)c1 84805016 FKPZTDRLDKCPCM-UHFFFAOYSA-N 368.220 4.135 0 40 FIAB CCCNC(=O)CSc1nnc(-c2ccc(C)cc2)c2ccccc12 85565158 QZGJQRRMQJTZSK-UHFFFAOYSA-N 351.475 4.224 0 40 FIAB C[C@@H](NC(=O)CC(C)(C)c1ccccc1)[C@@H](O)c1c(F)cccc1Cl 89598472 UJODFRXZMODDQK-BFUOFWGJSA-N 363.860 4.385 0 40 FIAB Cc1ccc(C)n1C1CCN(C(=O)c2cc(-c3cccc(F)c3)no2)CC1 89652248 XCPUWUDYHUYMKE-UHFFFAOYSA-N 367.424 4.376 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 96998130 KVLVYOOKMPLZKB-CQSZACIVSA-N 369.446 4.207 0 40 FIAB C[C@H]1ON=C(c2ccccc2Cl)[C@@H]1C(=O)NCc1ccc(Cl)cc1 100262497 NSECQABYXXMANU-BDJLRTHQSA-N 363.244 4.049 0 40 FIAB Cc1cc(C)cc(N2C(=O)C[C@@H](Cc3ccc(Br)cc3)C2=O)c1 100739284 AUSXXWMMEQJRIO-OAHLLOKOSA-N 372.262 4.188 0 40 FIAB CC(C)(C)c1ccc(Oc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 139959418 MAFVTWPANLDWRZ-CQSZACIVSA-N 353.418 4.214 0 40 FIAB O=C(NCc1ccc(F)cc1)NCc1ccc(C(=O)c2ccsc2)s1 211085154 XHBXTUTZIAAPFQ-UHFFFAOYSA-N 374.462 4.179 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccccc1-n1ccnc1 216483435 CELDMQFKJWBLCB-QGZVFWFLSA-N 363.461 4.079 0 40 FIAB COC(=O)c1cn(C(=O)COc2cccc3c2CCCC3)c2ccccc12 222645067 ONZXNLPDUHVZFT-UHFFFAOYSA-N 363.413 4.026 0 40 FIAB CCOc1ccc(C(=O)NCCOc2ccccc2Cl)cc1Cl 222940902 MSSSNEYXEOXAJP-UHFFFAOYSA-N 354.233 4.201 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSC3CCCC3)cc2)C1 225375678 GJUYQRULALBSNV-KRWDZBQOSA-N 360.567 4.324 0 40 FIAB CO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@@H](C)C1 225636183 TXRGIEXBGRNBBS-GCJKJVERSA-N 374.525 4.085 0 40 FIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225738334 OBDRTSOYPLTUAK-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 408705412 FCCHQFJWBUIVKU-UHFFFAOYSA-N 374.868 4.278 0 40 FIAB COc1ccc(CCCC(=O)N[C@H]2NC(c3ccccc3)=CS2)cc1C 408907628 BVXNYLAGXRDRNZ-OAQYLSRUSA-N 368.502 4.061 0 40 FIAB CCN(CC)C(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978210 LHFOGTKZNURPSY-UHFFFAOYSA-N 374.448 4.494 0 40 FIAB CCCSC1=NC(C)=C(C(=O)OCC)[C@@H](c2ccccc2OCC)N1 408986765 DMLUQIIQXILQKU-QGZVFWFLSA-N 362.495 4.066 0 40 FIAB COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1C 409216681 NXAFFAAXVMJRGB-QGOAFFKASA-N 353.443 4.283 0 40 FIAB Cc1nc([C@@H]2CCCN(Cc3cccc(C(=O)O)c3Cl)C2)sc1C 516657014 SILIWWNKUOQCQC-CQSZACIVSA-N 364.898 4.491 0 40 FIAB CCc1csc(-n2cc(C(=O)N3CC(C)(C)[C@@H]3c3cccs3)cn2)n1 564008570 CIAUIYNIYVSQJE-HNNXBMFYSA-N 372.519 4.176 0 40 FIAB CC[C@@H](C(=O)NC[C@@H](c1ccsc1)n1nc(C)cc1C)c1ccccc1 575613333 FTXANIUVDACQJM-UXHICEINSA-N 367.518 4.461 0 40 FIAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCC4)ccc1OC(F)F 1505840453 AGRYAYUIMZAZRS-UHFFFAOYSA-N 364.373 4.163 0 40 FIAB Cc1cccc(O[C@H](C)CN=c2nc(-c3ccncc3)[nH]c3ccccc23)c1 1612001096 OQOXALOEVMPYIP-QGZVFWFLSA-N 370.456 4.302 0 40 FIAB C[C@@H]1CN(C(=O)NC[C@H]2CCCC(C)(C)C2)CCN1Cc1ccccc1 1682044541 VIEWFHLNPMCWOR-QUCCMNQESA-N 357.542 4.119 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O 608319 CTFFKFYWSOSIAA-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB in-man CC(C)c1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 795350 WYRTZYLQNHCBFA-QMMMGPOBSA-N 360.266 4.374 0 40 FIAB O[C@@H](COc1ccccc1)Cn1c(Cc2ccccc2)nc2ccccc21 888790 MJPOHCKLZXQSKQ-LJQANCHMSA-N 358.441 4.067 0 40 FIAB Cc1cc(OCc2ccc(Br)cc2)nc(-c2ccccc2O)n1 1095864 BAAXHWNDULKNSI-UHFFFAOYSA-N 371.234 4.499 0 40 FIAB Cn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 2460961 HCSXGNLPVUNLLS-HXUWFJFHSA-N 355.441 4.287 0 40 FIAB Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)o1 2623598 SJQOWKACBRWZML-UHFFFAOYSA-N 357.435 4.457 0 40 FIAB Cc1nc(C(F)(F)F)c(C(=O)NCc2cccc(C(F)(F)F)c2)s1 3047040 JARAOXMFMQLZLB-UHFFFAOYSA-N 368.302 4.419 0 40 FIAB c1cncc(-c2nc(NC[C@H]3CCCO3)c3c4c(sc3n2)CCCC4)c1 3381460 KWMQMRQHUPHASR-CQSZACIVSA-N 366.490 4.223 0 40 FIAB CCCCCCn1c(S[C@@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1 3490923 DNKDRDIZTBIDQX-LBPRGKRZSA-N 366.918 4.145 0 40 FIAB COc1cccc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)c1 3584122 KKMSBWCEOUJHIC-UHFFFAOYSA-N 353.249 4.073 0 40 FIAB Cc1cccc(NC(=O)COc2ccc(F)cc2Br)c1C 3607747 AFPGSJHORAOKAL-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB Cc1cc(Br)ccc1NC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163720 LTWLBUCDLIAETH-UHFFFAOYSA-N 371.234 4.369 0 40 FIAB Cn1c(SCc2nnc(-c3ccco3)o2)nnc1-c1ccc(Cl)cc1 4287005 WTWCGARSXVYRRL-UHFFFAOYSA-N 373.825 4.071 0 40 FIAB O=C(CCc1ccccc1)NCCc1csc(-c2cccc(F)c2)n1 4375404 VCNDHBNLOMUUIV-UHFFFAOYSA-N 354.450 4.241 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1Cl 4940299 YZXMLBRTRIZRHO-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(F)cc2C3(C)C)cc1 5489926 QVYCZWMSQPSSKB-RSNBEDGSSA-N 350.437 4.161 0 40 FIAB COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2cccnc2)n1 5490001 DQMNOBFRQDITQQ-UHFFFAOYSA-N 372.384 4.060 0 40 FIAB Cc1cc(NC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)no1 5583934 DHDJANMKODYQKT-UHFFFAOYSA-N 350.749 4.386 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1C 7043836 IIBPHTPSCKHMQX-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB COc1ccc(CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C2CC2)cc1 7116261 PRWRCCLHPWLNLZ-NTEUORMPSA-N 373.456 4.085 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(C)c(C)c(C)n1 7252982 IKVBYBWNKNMFPM-LBPRGKRZSA-N 365.886 4.183 0 40 FIAB Cc1ccc(-c2noc(SCc3nnc(-c4ccccc4)o3)n2)cc1 7604817 ZIRUSHXPAFUACM-UHFFFAOYSA-N 350.403 4.387 0 40 FIAB Cc1nc(=S)[nH]c(C)c1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 7780939 GPAACNKXPDEIQR-UHFFFAOYSA-N 359.539 4.021 0 40 FIAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1c1nc2ccccc2s1 8311920 LPMSLHYMIQFHRC-QGZVFWFLSA-N 360.442 4.217 0 40 FIAB C[C@H](NC(=S)NC(=O)c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 9140222 YKPMUARCDBRIKZ-PGBBXINNSA-N 360.498 4.035 0 40 FIAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1 9379718 UCJYORHDZIXXFO-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB CNc1c(NC(=O)Nc2cc(Cl)ccc2C)c(=O)oc2ccccc12 9607408 OKIJRASLYLIVLE-UHFFFAOYSA-N 357.797 4.441 0 40 FIAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccco1)C3 10156956 ZTADERDVRREGEG-HNNXBMFYSA-N 372.428 4.420 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccccc3)ccc21 10972235 HDKVDVUCBZKBCZ-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 11001485 IOICSMDVDPQDSB-JIIJFUIFSA-N 368.864 4.231 0 40 FIAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(F)cc1 12125590 NZTHNRGREIXXRT-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC[C@@H](C)C1 12222785 DVGDXFFXDBSWTP-MRXNPFEDSA-N 362.477 4.055 0 40 FIAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OC1CCCC1 12394694 PZEFNOLSYWMKMV-BQYQJAHWSA-N 355.228 4.267 0 40 FIAB CCc1cccc(CC)c1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12754543 UFZLOBMDSQVJOB-UHFFFAOYSA-N 350.462 4.119 0 40 FIAB O=C(CCCSc1nc2ccccc2[nH]1)NCCc1ccc(Cl)cc1 13042949 LRXPVSFMADLBND-UHFFFAOYSA-N 373.909 4.448 0 40 FIAB CCOc1ccccc1-n1c(S)nnc1COc1ccc(CC)cc1 13535536 DPEJJVHDAUQCHR-UHFFFAOYSA-N 355.463 4.096 0 40 FIAB O=C(Cc1cccc(F)c1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640587 HRJHIDIUWSFIOW-UHFFFAOYSA-N 363.314 4.211 0 40 FIAB O=C(NCc1cccnc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 17168868 IDNCCSVYNWEBDD-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1cccc(F)c1 19239599 MZEYTPUSSHEOKL-IBGZPJMESA-N 364.424 4.287 0 40 FIAB CCc1nnsc1C(=O)Nc1nc(-c2ccc(OC)cc2)c(CC)s1 19521909 DFHYXKYOJBKBCT-UHFFFAOYSA-N 374.491 4.047 0 40 FIAB Cc1cc(OCCSc2nnc(-c3cccnc3)n2C)ccc1C(C)C 22150399 QHSHKFZQLXVLLI-UHFFFAOYSA-N 368.506 4.480 0 40 FIAB O=C(Nc1ccc(N2CCCC2)nc1)c1occc1COc1ccccc1 22326938 ZPBNRLFIJHISFH-UHFFFAOYSA-N 363.417 4.106 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1Br 22558409 GPNHMMZWBDFGGV-UHFFFAOYSA-N 372.266 4.308 0 40 FIAB O=C(CCc1ccccc1F)NCc1ccccc1CN1CCCCC1 24182299 GUCRYJZENSIPDI-UHFFFAOYSA-N 354.469 4.061 0 40 FIAB COC(=O)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 24464267 SITFWUVQZUZFNY-UHFFFAOYSA-N 371.483 4.439 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(-c2ccc(Cl)cc2)no1 27662961 HKZDXRVAQQKDFV-GFCCVEGCSA-N 372.808 4.410 0 40 FIAB c1ccc2c(CN3CCN(c4ncnc5ccsc45)CC3)csc2c1 28620202 MHRGKRBBPZLVOY-UHFFFAOYSA-N 366.515 4.228 0 40 FIAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c(C)c1 29407593 GGHPYLUZLGYYHW-CYBMUJFWSA-N 368.462 4.009 0 40 FIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(C(F)(F)F)nc1 30481942 WLGVETIAKRZVEQ-UHFFFAOYSA-N 352.400 4.389 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 30943628 XEFRVLZQVPSNCK-SIKLNZKXSA-N 350.506 4.036 0 40 FIAB COc1ccc(OCc2noc(CN[C@H](c3cccs3)C(C)C)n2)cc1 32868811 UOFSRGBYOFLTQH-IBGZPJMESA-N 373.478 4.206 0 40 FIAB Cc1ccccc1OCCCNC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 35316563 YXYKFPRVPWBUSD-INIZCTEOSA-N 370.493 4.333 0 40 FIAB CCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618339 RFPKWMIBQDMVAN-UHFFFAOYSA-N 361.376 4.446 0 40 FIAB CCC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1 40119416 CBFLVCKEYZBHLU-HXUWFJFHSA-N 363.461 4.270 0 40 FIAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)c2ccc(Cl)cc2)n1 40159189 WFJROLXNVNJIQC-SNVBAGLBSA-N 369.895 4.266 0 40 FIAB Cc1ccccc1C(=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1 41076530 FAOXDSDAGKWMJL-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)Oc1ccc(Cl)cc1 41155674 XOZAXRIQSNAYKX-CYBMUJFWSA-N 356.809 4.192 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCCOc1ccc(Cl)cc1 41157538 QLCGPHJPNIJKPB-UHFFFAOYSA-N 374.651 4.221 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 44946872 OGUIGYZYUGDZMV-GOSISDBHSA-N 363.413 4.042 0 40 FIAB O=C(CN1CCC[C@H]1c1ccsc1)N1CCC(Cc2ccccc2)CC1 48324396 PHPSWTIKVQAVND-NRFANRHFSA-N 368.546 4.366 0 40 FIAB CCN1CCN(c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2C)CC1 53212074 IKFQFHIXRXHXEY-UHFFFAOYSA-N 374.435 4.059 0 40 FIAB CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nncs2)cs1 54913761 RSUDKWJIOIUNQY-UHFFFAOYSA-N 362.505 4.280 0 40 FIAB Cc1noc(C(C)C)c1C(=O)Nc1ccccc1OC[C@H]1CCCCO1 57369241 IEVGLXGVXXBRHD-OAHLLOKOSA-N 358.438 4.307 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OCC(F)(F)F)nc1 58952011 PDWFCDFGYFPQAW-SNVBAGLBSA-N 374.746 4.082 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1Br 72211607 ABMOFTCTHIWDJZ-HNNXBMFYSA-N 361.239 4.318 0 40 FIAB CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccc(OC)cc2)n1 72379115 FCOQPLNYJXWQSB-FQEVSTJZSA-N 362.477 4.175 0 40 FIAB Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 78848813 ZRCMZLCDDPSNAQ-DNVCBOLYSA-N 355.482 4.202 0 40 FIAB O=C(N1CC[C@@H](c2ccccc2)C1)C1(c2ccc(F)cc2F)CCOCC1 89784742 VQSOCUGOYMHTMW-QGZVFWFLSA-N 371.427 4.029 0 40 FIAB CC[C@@H]1C[C@H](C(=O)N2CCCc3cc(C)c(Br)cc32)CCO1 96002132 RTNRLUZSFPUCHK-HUUCEWRRSA-N 366.299 4.242 0 40 FIAB COC1CCN(c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)CC1 96104466 BGWZITZYXAGPKC-UHFFFAOYSA-N 374.481 4.172 0 40 FIAB CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](C/C=C/CCCC(=O)O)[C@@H]2CO[C@@H]1C2 101145240 LQANGKSBLPMBTJ-QQBDIJMNSA-N 350.499 4.336 0 40 FIAB Cc1cc(N(C)[C@H]2CCCc3nc(C)sc32)nc(-c2cccnc2)n1 110099052 WENRMKZJEUQBFF-INIZCTEOSA-N 351.479 4.126 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccc12 137873035 MYKSAERYKXAIHL-ZDUSSCGKSA-N 371.820 4.497 0 40 FIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2F)o1 156921053 UCOQOWMPMGGJBA-INIZCTEOSA-N 353.397 4.403 0 40 FIAB Cc1ccccc1OCC(=O)N1CCS[C@H](c2ccccc2F)CC1 219096315 DNGNNWPWTPUOPU-IBGZPJMESA-N 359.466 4.220 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SC(C)C)s1 222617111 OAIMDNLXLPLXDU-LBPRGKRZSA-N 371.915 4.488 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1cccc(Cl)c1 222676532 CLYIUOHCAAHRRU-KRWDZBQOSA-N 359.853 4.310 0 40 FIAB C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCCC2 223003983 YGCANRPMDJERKS-KRWDZBQOSA-N 359.473 4.301 0 40 FIAB CCC1(CC)C[C@H](NC(=O)COc2ccc(OC)cc2)c2ccccc2O1 223750191 OPGPUUMWBHEHFZ-IBGZPJMESA-N 369.461 4.273 0 40 FIAB COc1cccc(NC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224705578 XPFKDMNOQAESKP-UHFFFAOYSA-N 353.466 4.003 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)N[C@H](C)CC 225612594 FOXXMCLIMDGXCM-RHSMWYFYSA-N 352.906 4.162 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)CCCC4)n2)c1 225635395 MTLZKACPQUNEDJ-UHFFFAOYSA-N 361.445 4.196 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225732807 IOBIYSFMOJPSAP-SCLBCKFNSA-N 357.878 4.288 0 40 FIAB CCc1nc2cc(C(=O)Nc3cccc(Br)c3)ccc2n1C 225896486 YKVZOAONKFYZBH-UHFFFAOYSA-N 358.239 4.151 0 40 FIAB Cc1ccnc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)c1 227153773 XHMLPIPJHFQKNE-UHFFFAOYSA-N 370.840 4.025 0 40 FIAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)Nc1ccccc1Cl 245026553 NADDREKHIJYFSQ-QGZVFWFLSA-N 362.838 4.052 0 40 FIAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 257340989 ZIJVHCXNMOESAE-RUCARUNLSA-N 366.509 4.365 0 40 FIAB O=C1Nc2cc(Cl)ccc2C([C@@H]2CCCOC2)=N[C@H]1Cc1ccccc1 1615058774 WRYNJYJHYNINRP-BEFAXECRSA-N 368.864 4.119 0 40 FIAB Cc1ncccc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159062 SJTFBNCANQRTFA-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB CCCSCc1nnc2sc(-c3cc(C)nc4ccccc34)nn12 1776111027 NNOCOJUVTIMLQT-UHFFFAOYSA-N 355.492 4.353 0 40 FIAB O=C(CSCc1ccccc1)NC[C@H](O)c1ccc(-c2ccco2)s1 1888979424 GNCMRBUKZQLWJT-HNNXBMFYSA-N 373.499 4.091 0 40 FIAB O=C(Nc1cccc2cccnc12)c1ccccc1I 683043 YLCLGXPYQLRKAK-UHFFFAOYSA-N 374.181 4.092 0 40 FIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2Cl)c1 724762 UOAKXDVQGUGUQT-UHFFFAOYSA-N 352.221 4.379 0 40 FIAB C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2C1 944104 QZGYOSUZJHMTFP-GFCCVEGCSA-N 359.422 4.498 0 40 FIAB CCOc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 1010372 RWFFICFQUPBGJQ-UHFFFAOYSA-N 353.447 4.018 0 40 FIAB CN(C)CCOCCOC(=O)N1c2ccccc2Sc2ccccc21 1678301 OOVJCSPCMCAXEX-UHFFFAOYSA-N 358.463 4.004 0 40 FIAB in-man COc1ccc(Br)c(C(=O)c2cccc(Br)c2)c1 2567545 OFEQSXZCMATXOD-UHFFFAOYSA-N 370.040 4.451 0 40 FIAB COC(=O)/C(=C(/F)S[C@@H]1C[C@H](C(C)(C)C)CCC1=O)C(F)(F)F 4593635 PXGACNOWPAPDJF-XZSLVXJRSA-N 356.381 4.420 0 40 FIAB Cc1c(CC(=O)N2CCCC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743884 YURQOIIMJQDEPM-UHFFFAOYSA-N 367.445 4.310 0 40 FIAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2cccc(C)c2C)c(C)s1 4883566 BNIRSAKEYZUFHD-UHFFFAOYSA-N 373.474 4.127 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2C)c(C)c1 5652601 AIGPBWHVQLANNL-WMLDXEAASA-N 372.490 4.007 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 6056620 QXSBAYAESBEEGW-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 6225743 BCNMWJYDRCFABP-IBGZPJMESA-N 352.478 4.259 0 40 FIAB O=C(NCCOc1ccccc1F)C1c2ccccc2Oc2ccccc21 6278222 FTEWBQNIZCLMKU-UHFFFAOYSA-N 363.388 4.259 0 40 FIAB CC(=O)Nc1ccc(Nc2nc3sc4c(c3c(=O)s2)CCCC4)cc1 6363436 YXHAZZJEDSZJSV-UHFFFAOYSA-N 371.487 4.299 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1Cl 6495690 KPHIXLHENGZRSC-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB COc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1Br 6847078 KZYADXSNAMLEFC-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 6931412 ODJYRDOOKVQRQU-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc2ncsc2c1 6991288 MIAJCRRVLPUTEA-UHFFFAOYSA-N 371.805 4.357 0 40 FIAB CCn1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c2ccccc21 7459304 XDYZBCBWPLFOBK-UHFFFAOYSA-N 366.446 4.025 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)NCCc1ccc(OC(F)F)cc1 7984996 DWNKBSZLSMVSLB-UHFFFAOYSA-N 374.214 4.496 0 40 FIAB CC(C)[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 7985507 IZDSWLNNNFLRLH-NRFANRHFSA-N 365.473 4.393 0 40 FIAB COc1ccc(-c2csc3ncnc(NCC(C)(C)CN(C)C)c23)cc1 8071798 WGNBDOYDNHOCGO-UHFFFAOYSA-N 370.522 4.367 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 8283863 PFLLYOPQKZXDTP-JXFKEZNVSA-N 363.461 4.222 0 40 FIAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1cc2ccccc2o1 9050595 RVCKLSCCRLRRGK-OAHLLOKOSA-N 362.429 4.046 0 40 FIAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1nc2ccccc2s1 9387789 NXTLLSXDYOXNNG-NSHDSACASA-N 361.417 4.034 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)cc2c1 9461920 DGLLUUOWZOEZEG-UHFFFAOYSA-N 362.473 4.406 0 40 FIAB Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@@H]2c1ccc2c(c1)OCO2 9483272 YBKJYQUTEHYHGJ-OAHLLOKOSA-N 361.401 4.341 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)cc2)cc1 9581547 IUBXNWAJGGUPAM-OAQYLSRUSA-N 361.445 4.248 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 10819940 NBHYORGPBBPMHL-UHFFFAOYSA-N 358.441 4.212 0 40 FIAB CCn1c(SC[C@@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 11598136 FPBHQYUAUXQZJI-AWEZNQCLSA-N 372.515 4.416 0 40 FIAB CN(C)c1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12594507 LALVCMAZKOQEAE-UHFFFAOYSA-N 372.428 4.451 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1N1CCCCC1 12641156 OFGRIKXTOHFQGP-IBGZPJMESA-N 365.521 4.444 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccco1 13709169 FRSSROQMUZXPTD-OAHLLOKOSA-N 355.459 4.250 0 40 FIAB Cc1ccc(CN2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)cc1 13945732 RBNOCTQXKJWHAC-HXUWFJFHSA-N 370.924 4.219 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 14038516 JOOHGPSBNIOCFO-UHFFFAOYSA-N 354.450 4.254 0 40 FIAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)NC1CCCCC1 14169824 GAFFVKOQURZSLH-UHFFFAOYSA-N 353.470 4.126 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 14404551 DXXVTNLPOQWVCO-UHFFFAOYSA-N 368.824 4.185 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)OCc1nc2ccccc2n1C(F)F 14902066 XMDIFQZWUKIFKW-UHFFFAOYSA-N 355.344 4.199 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1Cc2ccccc2O1 15579997 AXLISGBPRXNEGK-FQEVSTJZSA-N 355.397 4.172 0 40 FIAB CCN1C(SCc2cccc(Cl)c2)=NS(=O)(=O)c2ccccc21 15868387 KEHXPSOMFYDSIM-UHFFFAOYSA-N 366.895 4.158 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 16097177 SKQNESREZALKAV-UHFFFAOYSA-N 351.427 4.067 0 40 FIAB CCn1nc(C(C)C)cc1C(=O)NCCc1nc(-c2ccccc2)cs1 19524132 QDPGWMJJAMEOOL-UHFFFAOYSA-N 368.506 4.122 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1 20483254 BYZITQDIKCKGOQ-HNNXBMFYSA-N 352.203 4.384 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)OC)cc1 22513377 PUOBTZZCBQJWKH-HXUWFJFHSA-N 363.413 4.423 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 22540271 HRUZGPWNBXDPAF-CQSZACIVSA-N 367.898 4.313 0 40 FIAB COc1ccc(C)cc1NC(=O)CNc1ccccc1N1CCCCCC1 24756447 QSPGTJYUZQAWLU-UHFFFAOYSA-N 367.493 4.435 0 40 FIAB O=c1[nH]c(SC[C@@H]2CCCO2)nc2scc(-c3ccc(F)cc3)c12 25255540 RZGASVMAPAEEPH-LBPRGKRZSA-N 362.451 4.062 0 40 FIAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1cccc(Br)c1 30839917 PKJZBMXUNAYZIL-ZIAGYGMSSA-N 362.267 4.232 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)C1 30851866 CRORYQMWDUJTGR-IBGZPJMESA-N 350.506 4.281 0 40 FIAB CNC(=O)c1ccc(C)c(NC(=O)c2cc3cc(Cl)ccc3nc2C)c1 31538348 WRBZVVBLSGIIAT-UHFFFAOYSA-N 367.836 4.117 0 40 FIAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(CN2CCCCC2)cc1 31779336 MHYROPTVEPAKNF-UHFFFAOYSA-N 374.488 4.170 0 40 FIAB CCc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 32488312 JWDCTRPXOGMNTL-UHFFFAOYSA-N 353.397 4.400 0 40 FIAB Cc1cc(C)nc(SCC(=O)Nc2ccc3oc(C(C)C)nc3c2)n1 33216495 JSYZVGMUCPUQIV-UHFFFAOYSA-N 356.451 4.089 0 40 FIAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 40050935 AOAHMXUSHWQDBI-QGZVFWFLSA-N 366.461 4.312 0 40 FIAB COc1ccc(CCC(=O)NCCCc2ccccc2Cl)cc1OC 44949332 DDVUIHOUUTVFGC-UHFFFAOYSA-N 361.869 4.039 0 40 FIAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H]1c1ccsc1 48234183 UYDFKEHNBUOCFH-MOPGFXCFSA-N 357.475 4.283 0 40 FIAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(Cl)cc1)C3 58015142 QXZWBEZQSPRQKW-UHFFFAOYSA-N 355.821 4.361 0 40 FIAB biogenic CC(C)c1noc(CCCNc2ncnc3sc4c(c23)CCCC4)n1 58017059 IQFFXGRYWFWXQW-UHFFFAOYSA-N 357.483 4.121 0 40 FIAB O=C(c1cccc(NC(=O)N(Cc2ccccc2)C2CC2)c1)N1CCCC1 58061430 WBXAVEOEQONVQT-UHFFFAOYSA-N 363.461 4.119 0 40 FIAB CC(C)(C)c1ncc(NC(=O)NCc2ccc(Cl)cc2Cl)cn1 65552866 CUARWGGSRZWIJW-UHFFFAOYSA-N 353.253 4.403 0 40 FIAB CC(C)n1ccc2c(NC(=O)[C@H](C)N3Cc4ccccc4C3=O)cccc21 70666651 HZDDHINPNUVCKZ-HNNXBMFYSA-N 361.445 4.205 0 40 FIAB biogenic CC1CCN(c2cc(NC(=O)COc3ccccc3)c(Cl)cc2N)CC1 72229600 IOCVEFKJNLUBTH-UHFFFAOYSA-N 373.884 4.176 0 40 FIAB Cc1ccc(N2CCC(c3nc(-c4ccc(C)c(F)c4)no3)CC2)nc1 74121575 DCXMMPWKLBQWLM-UHFFFAOYSA-N 352.413 4.272 0 40 FIAB C[C@H](C(=O)Nc1ccccc1Cl)N1CCSC2(CCCCC2)C1 75106017 BXBXUGOCABBXCC-CQSZACIVSA-N 352.931 4.419 0 40 FIAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](C)CC(=O)c1ccccc1F 84131448 IYOOLUFDYNEYMU-GJZGRUSLSA-N 357.425 4.229 0 40 FIAB C[C@H](NC(=O)N(C)[C@@H](C)c1cccs1)c1ccc(N2CCOC2=O)cc1 84651554 LOYJEAFDROZMDU-KBPBESRZSA-N 373.478 4.168 0 40 FIAB COCCn1c(C(=O)Nc2cccc(C)c2)cc2c1c1ccccc1n2C 96146245 CCPCKQFZJIDNNJ-UHFFFAOYSA-N 361.445 4.340 0 40 FIAB C/C(=C\C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)c1ccccc1F 98055231 VGGGNYIAYZFLKP-AIGDTVQASA-N 367.399 4.007 0 40 FIAB Cc1nc2ccccn2c1C(=O)N1CCS[C@@H](c2ccccc2F)CC1 219109133 NATVXHXPNYJGCX-QGZVFWFLSA-N 369.465 4.102 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219577628 NVDWTVCKTUFVNO-DLBZAZTESA-N 357.425 4.402 0 40 FIAB CCCCCNC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224246165 NZBNWCNDDHCALZ-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCC(C)C)o2)cc1 224906039 LNJHFRVCKKJAME-UHFFFAOYSA-N 350.418 4.403 0 40 FIAB Cc1cccc(CSCCNC(=O)C2(c3ccccc3)CCOCC2)c1 225354642 ZXJXYDNLRVDDNG-UHFFFAOYSA-N 369.530 4.093 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 225481247 VVZSTHSSIXGYCD-GOSISDBHSA-N 353.491 4.251 0 40 FIAB O=C(CCc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@H]1c1cncnc1C2 225671907 ASGAUAQTIJTJEV-SJCJKPOMSA-N 362.260 4.004 0 40 FIAB CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1Br 408613520 VAADLRBUSFUCIB-UHFFFAOYSA-N 350.212 4.158 0 40 FIAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408667998 QRRIDBSLJPBMOS-WMZOPIPTSA-N 365.473 4.499 0 40 FIAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccccc1 409106382 NGIJOGQCTNGREN-UHFFFAOYSA-N 365.502 4.500 0 40 FIAB CCC(=O)NC(=S)Nc1ccc2nc(-c3ccc(CC)cc3)oc2c1 585655878 MFNITOKODSKTLK-UHFFFAOYSA-N 353.447 4.280 0 40 FIAB COc1ccc(N(C)C(=O)c2nc(O)c3ccccc3c2C)cc1Cl 1137381748 YCJCGGHYNCGITD-UHFFFAOYSA-N 356.809 4.187 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)Cc2cccs2)CN1c1cccc(F)c1 1615156137 KDUTZHNSPQBCRG-NRFANRHFSA-N 372.509 4.480 0 40 FIAB C[C@H](C(=O)N1CC(Cc2ccc(Br)cc2)C1)c1ccccc1 1648173683 HWQVWDGOOJXQNI-AWEZNQCLSA-N 358.279 4.254 0 40 FIAB O=C(Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 1775974443 RPVQFOVAZBAQFW-UHFFFAOYSA-N 371.845 4.425 0 40 FIAB COc1cc(C(=O)c2ccc(F)cc2)cc(C(=O)c2ccc(F)cc2)c1 622415 BHVSCKTUCMZDIV-UHFFFAOYSA-N 352.336 4.435 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)c1 870486 QEZSJZKFDWSGAT-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3cc2C)cc1 902900 ZTGKTITYABAPDP-UHFFFAOYSA-N 366.442 4.061 0 40 FIAB Cc1ccc2c(c1)-c1nc3n(c(=O)c1C1(CCCCC1)C2)CCCS3 1242282 GGSWATQIQCZMLN-UHFFFAOYSA-N 352.503 4.473 0 40 FIAB Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)C(=O)CCC3 1308645 OAIMKAKOSPTFCI-UHFFFAOYSA-N 371.849 4.303 0 40 FIAB C[C@H]1CCCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 2629977 RVYRCWQGNYGBBM-ZDUSSCGKSA-N 362.267 4.240 0 40 FIAB Cc1sc2ncnc(SCC(=O)c3ccc4c(c3)OCO4)c2c1C 2679370 BLRCBDADGYLOGX-UHFFFAOYSA-N 358.444 4.012 0 40 FIAB COc1ccccc1/C=C(/C(=O)OCC(=O)C(C)(C)C)c1ccccc1 3239919 RMVILULLIHXRRW-NBVRZTHBSA-N 352.430 4.394 0 40 FIAB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3431335 REGZZOXJBVXPAT-JTQLQIEISA-N 368.216 4.186 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@H]2CCCC2=O)cc1 3561017 NDMRCIIWAYIWHP-FQEVSTJZSA-N 360.413 4.126 0 40 FIAB C[C@@]12CC[C@H]3c4ccc(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902441 WSJCDIBESNMSPH-HEWKYXSKSA-N 351.284 4.372 0 40 FIAB CC(C)c1cc(Cc2cc(C(=O)O)c(O)c(C(C)C)c2)cc(C(=O)O)c1O 4028796 SEHVSJIGIFPXFO-UHFFFAOYSA-N 372.417 4.332 0 40 FIAB biogenic CC[C@@H](C)Sc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 4079412 ZKHIXYYZXBECBE-MRVPVSSYSA-N 357.888 4.343 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 4079591 FOURCTSEAMZULG-UHFFFAOYSA-N 366.442 4.466 0 40 FIAB O=C(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc(F)cc1F 4249036 PIGGTFMIEGXHTG-UHFFFAOYSA-N 357.385 4.186 0 40 FIAB COc1ccc(C2=NN3[C@@H](CCSC)Oc4ccccc4[C@H]3C2)cc1 5164193 MKXULTBIOLSYCQ-UYAOXDASSA-N 354.475 4.318 0 40 FIAB COc1cccc(C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c1 5259219 KKQYFVLCROZHAT-UHFFFAOYSA-N 374.444 4.005 0 40 FIAB CSc1ccccc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 5269660 VTMNXJNNCKDETM-UHFFFAOYSA-N 364.470 4.179 0 40 FIAB O=C(CC1c2ccccc2-c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 5450613 FSHHRPYYOVIVLW-JOCHJYFZSA-N 371.436 4.001 0 40 FIAB CC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 5713038 SZWHEJDJJIBIPK-VWLOTQADSA-N 356.465 4.391 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 5834239 FYGLNFKVYCLRJP-JXFKEZNVSA-N 367.445 4.331 0 40 FIAB COc1ccc(-c2nc3c4c(C)c(C)n(Cc5ccco5)c4ncn3n2)cc1 6670047 PWDSYQZPFBFXLC-UHFFFAOYSA-N 373.416 4.013 0 40 FIAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H]2CCCO2)cc1 6980379 VEYIMMACXKGKMB-SFHVURJKSA-N 369.465 4.268 0 40 FIAB Cc1ccccc1C1=N/C(=C\c2ccc(F)c(Br)c2)C(=O)O1 7000243 MFDOPTFEQDSIHO-DHDCSXOGSA-N 360.182 4.241 0 40 FIAB CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1F 7200606 HTPVKYZFZDZYHQ-UHFFFAOYSA-N 366.230 4.477 0 40 FIAB CSc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 7597730 OWEVHBJUGANNOZ-UHFFFAOYSA-N 359.838 4.293 0 40 FIAB O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(C(F)(F)F)cc1 8272051 KTVMYCRFIRGXBM-UHFFFAOYSA-N 363.364 4.405 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccccc1Cl 8304062 KIHFNHINTWWMFJ-UHFFFAOYSA-N 367.880 4.392 0 40 FIAB C=C1c2ccccc2N=C(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)N1C 8394585 DXRNCMDITBJXFO-GFCCVEGCSA-N 372.881 4.399 0 40 FIAB O=C(CSc1ccccc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 8704409 YZZHIWTZTRWGLH-UHFFFAOYSA-N 360.866 4.198 0 40 FIAB O=C1C[C@H](c2cccc3ccccc23)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8769141 ANBLLHDYTCHWKS-GOSISDBHSA-N 367.408 4.064 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)[nH]1)NCc1ccc(Cl)cc1 8770020 JYJBSWGVOAXLGI-UHFFFAOYSA-N 357.866 4.139 0 40 FIAB CCOc1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 9062589 SHVGYGQMHCAGKO-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137469 ZUHRCCBSGXKFJH-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB O=C(c1ccccc1)N1CCC(Nc2ccc(Br)cc2)CC1 9290964 YUFHQZOCXLCHSF-UHFFFAOYSA-N 359.267 4.166 0 40 FIAB O=c1oc2ccccc2n1CN1CCc2sccc2[C@H]1c1ccccc1 9548196 MATAMTMYWYGVHB-HXUWFJFHSA-N 362.454 4.261 0 40 FIAB Cc1nc2cccc(C)n2c(=O)c1NC(=O)c1ccc(-c2ccccc2)cc1 9617163 WFNMQEYXXJLMOT-UHFFFAOYSA-N 369.424 4.231 0 40 FIAB O=C(Nc1ccnn1Cc1ccsc1)c1cccc(Br)c1 9723304 IJSFTBLGNCFCHE-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB Cc1ccccc1-n1c(SCc2ccccn2)nc2ccccc2c1=O 10394960 BRKJGWZACYABEU-UHFFFAOYSA-N 359.454 4.381 0 40 FIAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 12293410 FKEDCNAQGXUBND-UHFFFAOYSA-N 359.447 4.233 0 40 FIAB N[C@@H](c1ccc(F)cc1)[C@H](NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 12374654 NEBUUFRBUVKYIE-VQTJNVASSA-N 370.374 4.275 0 40 FIAB CCCCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 12548648 GMONFOCJHOYISM-UHFFFAOYSA-N 374.506 4.058 0 40 FIAB CCN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1nc2ccccc2s1 12950035 NQJXOJWEQWVPGB-OAHLLOKOSA-N 358.850 4.306 0 40 FIAB CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883212 CHNQYRKXTJINRA-UHFFFAOYSA-N 366.848 4.365 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1 17327654 QLZTVSWDRXUORQ-GHMZBOCLSA-N 350.871 4.021 0 40 FIAB Cc1ccc(-c2nnc(C3CCN(C(=O)CC4CCCCC4)CC3)o2)cn1 19215218 CJYFKTFULQCVMW-UHFFFAOYSA-N 368.481 4.116 0 40 FIAB COC[C@@H](C)N(Cc1ccccc1F)C(=O)c1cc(C)c2ccccc2n1 19660809 ZZESKHLOVOBKAO-MRXNPFEDSA-N 366.436 4.360 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)ccc1Cl 20144247 PWXWIXFVGCZAIK-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB Clc1cccc(-n2ncc3c(N4CCc5ccccc5C4)ncnc32)c1 20662200 CSRLWNUIHIVTBG-UHFFFAOYSA-N 361.836 4.032 0 40 FIAB O=C(NCCc1ccccn1)c1ccccc1SCc1ccsc1 21899911 PTJFRGHHSFEFIC-UHFFFAOYSA-N 354.500 4.408 0 40 FIAB COc1ccc([C@H](Nc2nc3ccccc3s2)c2nccn2C)cc1 22015765 GCJYSYQKFAIFDE-KRWDZBQOSA-N 350.447 4.240 0 40 FIAB CSCc1c(C(=O)N(C)Cc2ccc3c(c2)OCO3)oc2ccccc12 22702635 WRCNPJSGMIWWBK-UHFFFAOYSA-N 369.442 4.297 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140242 GXUVYNYNQNYPPT-GFCCVEGCSA-N 373.865 4.471 0 40 FIAB O=C(C1CCCCC1)N(CCn1cccn1)c1nc2ccccc2s1 23144675 CLDMNDCMUQDBEA-UHFFFAOYSA-N 354.479 4.106 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2cccc(C)c2)c1 24343606 VRICYKKERLILEH-HNNXBMFYSA-N 359.491 4.123 0 40 FIAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc4c(c3)NC(=O)CO4)sc2c1 27990078 ZECDWFWTNFQALO-UHFFFAOYSA-N 372.833 4.446 0 40 FIAB O=C(NCCc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 30848769 YKOWXIFEIXPAIA-UHFFFAOYSA-N 356.469 4.222 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1Cl 32585753 GYIIQDCQPWPYAZ-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB Cc1ccsc1C(=O)Nc1c(C)nn(COc2cccc(F)c2)c1C 32609845 ZTCQESVQGALTOO-UHFFFAOYSA-N 359.426 4.298 0 40 FIAB Cc1ccc2nc(C3CCN(C(=O)Nc4ccc(F)cc4)CC3)[nH]c2c1 35291874 RGIFUEMOKSMEPP-UHFFFAOYSA-N 352.413 4.422 0 40 FIAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 36339314 UFTXMKPYLNEZRK-JARNTUPDSA-N 352.265 4.234 0 40 FIAB CC(C)Oc1ccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)n2)cc1 36575562 VPMBIOVKSMGLRW-CQSZACIVSA-N 351.406 4.015 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)n[nH]2)cc1 44838574 DRVMNMQCDKMJAB-UHFFFAOYSA-N 359.473 4.480 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1cccc(C)c1C 44848426 MOBUYNKVVRHSQH-VQTJNVASSA-N 360.542 4.232 0 40 FIAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc3ccccc23)c1 44945731 LPEHVVMGCFXUDO-UHFFFAOYSA-N 374.849 4.117 0 40 FIAB O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@@H]2CCCC[C@@H]21 46494295 KCYZZPZTISEPKQ-DLBZAZTESA-N 363.548 4.339 0 40 FIAB CN(C)C(=O)[C@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1 48235993 ULWRKCZBQUIKCH-OAHLLOKOSA-N 361.417 4.353 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 53356970 XYOBAKLQFJGKPP-INIZCTEOSA-N 355.825 4.202 0 40 FIAB O=C(NCc1cnn(Cc2ccccc2)c1)c1cc2c(s1)CCCCC2 58380977 KJWPYQZGKPGODR-UHFFFAOYSA-N 365.502 4.192 0 40 FIAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(O)c(OCc2ccccc2)cn1 61719718 BMRCBQZCJUUSJH-UHFFFAOYSA-N 359.385 4.100 0 40 FIAB C[C@H](c1ccc(F)cc1)N1Cc2cc(Br)ccc2OCC1=O 65184446 UOTKKPHBVCGBKW-LLVKDONJSA-N 364.214 4.070 0 40 FIAB C[C@H](N)C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 65734218 GMSLUXIYPBUZRT-KRWDZBQOSA-N 361.441 4.375 0 40 FIAB in-vitro CC[C@H]1CCCCN1c1cc(SCC(=O)N(C)c2ccccc2)ncn1 67255849 CMIWPQLRTZEKCX-INIZCTEOSA-N 370.522 4.001 0 40 FIAB O=C(Nc1cccs1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637131 VEXQITLWCCKQTC-UHFFFAOYSA-N 360.826 4.083 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70639981 MVUHUHYHFZYXFK-OJXHRBAXSA-N 369.770 4.222 0 40 FIAB Cc1ccnc(Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)n1 70655619 LEOLQELUBPWRGM-UHFFFAOYSA-N 353.809 4.161 0 40 FIAB O=C(CCNc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 74414654 LWEVWMLZHIGUAV-QGZVFWFLSA-N 351.475 4.462 0 40 FIAB C[C@](O)(CNc1ncnc2scc(-c3ccccc3)c12)c1ccco1 78376810 ACHWANMYNGDLCO-IBGZPJMESA-N 351.431 4.271 0 40 FIAB Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 95462291 DNKFZGHDZWPDHK-DOTOQJQBSA-N 361.486 4.295 0 40 FIAB Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)[nH]c(=O)c3)cc2)c1 96006678 XCUWQPUXXILFIJ-UHFFFAOYSA-N 354.793 4.381 0 40 FIAB CO[C@](C)(CNC(=O)NCCCc1ccccc1)c1cccc(Cl)c1 96393266 LLAXXVIMNXSYJG-HXUWFJFHSA-N 360.885 4.134 0 40 FIAB Cc1ccnc(N/C=C2\C(=O)N(c3ccccc3)C(=O)c3ccccc32)c1 101189116 JSNGBBNPIJLVHF-RGEXLXHISA-N 355.397 4.030 0 40 FIAB C[C@@H](C(=O)C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 104275237 KHXDNWPFRBACSL-SNVBAGLBSA-N 350.201 4.020 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 104534450 YMQIGJBNLWYISY-CQSZACIVSA-N 351.368 4.222 0 40 FIAB CCOc1ccc(CNC(=O)COc2cc(C)cc(C)c2C)cc1OCC 218967226 IGQSRNWHPWYOOH-UHFFFAOYSA-N 371.477 4.104 0 40 FIAB Cc1ccc(C)c(CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 219278086 YWXASLHCZCVNIX-UHFFFAOYSA-N 369.852 4.208 0 40 FIAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1OC 224244920 YSDKPVLUKBAFBS-UHFFFAOYSA-N 369.461 4.299 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224246356 SVFBJVCQFSFRNR-HNNXBMFYSA-N 357.450 4.201 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=O)CCc1ccc(Cl)cc1 225310626 YQIGTCLWHYVYCV-INIZCTEOSA-N 356.897 4.230 0 40 FIAB S=C(NCCCN1CCc2ccccc2C1)Nc1ccc(Cl)cc1 225742316 HDFANBHFPSKKON-UHFFFAOYSA-N 359.926 4.075 0 40 FIAB Cc1cccc(-c2noc(CNC(=S)Nc3cc(C)ccc3C)n2)c1 225814288 PFFTZAZBMHAHKL-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225824490 LMDIQJNPOHVKAI-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)C1 227115103 KRPQJLUHWPEJQU-BETUJISGSA-N 351.372 4.009 0 40 FIAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(C)cc2)S1 408799332 KMYXKMPDQRVMLB-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(C)c(C)c3)c(=S)o2)cc1 409153745 MLDMCWXLHQJOHG-UHFFFAOYSA-N 353.447 4.437 0 40 FIAB Cc1cccc(-c2n[nH]cc2CN2C[C@H](C)O[C@H](c3ccsc3)C2)c1 539850074 CZBSLBUPAKZVDO-KXBFYZLASA-N 353.491 4.409 0 40 FIAB CCOCC1(c2nc(C3(c4ccc(OC)c(OC)c4)CCCC3)no2)CC1 585084291 BNKUWVDQYNDOKT-UHFFFAOYSA-N 372.465 4.015 0 40 FIAB CCc1ccc(C(=O)CCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 621574987 UYURDEHSBYYCGS-UHFFFAOYSA-N 359.809 4.202 0 40 FIAB O=C(C[C@@H]1CCc2ccccc21)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 672205124 VOGMLESWUBPBQX-IZBOUPIGSA-N 361.485 4.138 0 40 FIAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1ccc(C(F)(F)F)nc1 675008039 QNCIAWDTCGGQAS-ZDUSSCGKSA-N 366.364 4.317 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)c1nnc(COC[C@@H]2CCCO2)o1 1328230930 FGOVTMLRQOZQQG-KDOFPFPSSA-N 354.406 4.058 0 40 FIAB Cn1cc([C@H]2CCCN(C(=O)c3ccc(-c4ccsc4)cc3)C2)cn1 1775965487 YMCOTWGSPDWVPU-KRWDZBQOSA-N 351.475 4.168 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 3285545 CEZIPRBLUSDSRO-UHFFFAOYSA-N 351.733 4.039 0 40 FIAB CCOc1ccc(-c2nc(CSc3nncs3)cs2)cc1OC 3411172 WNTRKPHXPVJFCY-UHFFFAOYSA-N 365.505 4.361 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1Cl)OCO2 4174042 IPNBONJFAVRMNW-UHFFFAOYSA-N 352.173 4.177 0 40 FIAB CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1Cl 4263231 AGJKXCLKJGOAQN-MRXNPFEDSA-N 354.277 4.255 0 40 FIAB CC[C@@H](C)N(CC(C)C)C[C@](C)(O)CNc1cc(OC)cc2cccnc12 4522426 MBVJHPHECDEUPH-VGOFRKELSA-N 373.541 4.163 0 40 FIAB O=C(CCc1ccccc1)Nc1cccc(NC(=O)CCc2ccccc2)n1 4619207 ZZDNUXSPZMNOQA-UHFFFAOYSA-N 373.456 4.224 0 40 FIAB O=C(C(=O)N1CCCCC1)c1cn(Cc2ccc(F)cc2)c2ccccc12 4708698 JSKFEHOGGWFOJI-UHFFFAOYSA-N 364.420 4.024 0 40 FIAB O=C1C[C@H](c2ccccc2)Cc2nc(N3CCCc4ccccc43)ncc21 4747476 ZNAIWHVJSVULCL-GOSISDBHSA-N 355.441 4.474 0 40 FIAB Cc1c(CC(=O)NC(C)C)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5348211 XJIPRGCZYYLPDK-UHFFFAOYSA-N 355.434 4.212 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)OCc1ccccc1 5373906 PMJZHHTZTKFIPY-UHFFFAOYSA-N 350.418 4.125 0 40 FIAB O=C(c1cccs1)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5478030 WYSKVKOLVZYRPG-QRFRQXIXSA-N 359.466 4.396 0 40 FIAB CCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1Br 6324356 IJQGWGXAHRSIPH-LCYFTJDESA-N 370.268 4.294 0 40 FIAB Clc1ccc(-c2nnn(Cc3csc(-c4ccccc4)n3)n2)cc1 6790257 JZVVFAXPCLRVNV-UHFFFAOYSA-N 353.838 4.165 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCc2nc3ccccc3s2)cc1F 7074120 VSISKJAQNIBQOK-GFCCVEGCSA-N 358.438 4.254 0 40 FIAB O=C(CN1CCc2ccccc2C1)Nc1ccc(N2CCCCCC2)cc1 8194120 KJKNIMIROLODDU-UHFFFAOYSA-N 363.505 4.064 0 40 FIAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 8673502 ZIPITUTUMRJZCA-CQSZACIVSA-N 368.408 4.140 0 40 FIAB O=C(CCC(=O)c1ccc(Br)cc1)NCC1CCCCC1 8767625 SRFITWAIHUDVCG-UHFFFAOYSA-N 352.272 4.109 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1 9157017 XDIWMVGKCSZYSW-JOCHJYFZSA-N 355.441 4.022 0 40 FIAB Cc1csc(SCCCc2nc3sc(C)c(C)c3c(=O)[nH]2)n1 9515506 QKVWUEBAAHJSEE-UHFFFAOYSA-N 351.522 4.091 0 40 FIAB COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(SC)c2)c1 9902949 BZPZHOIDUQFLKF-LJQANCHMSA-N 356.491 4.193 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCc2ccccc2Cn2cccn2)c1 10234992 VNBCKZAGRWKQNJ-UHFFFAOYSA-N 371.893 4.237 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2ccccc2Br)c2ccccc2O1 10542996 VNGNNTHLOIILHF-OAHLLOKOSA-N 360.251 4.481 0 40 FIAB Cc1nc(SCC(=O)OCc2ccccc2)cc(-c2ccccc2)n1 12016902 VJPKFTFZKRUQMZ-UHFFFAOYSA-N 350.443 4.288 0 40 FIAB CCOc1cccc2s/c(=N/C(=O)c3ccc(C)c(C)c3)n(CC)c12 12032817 YUXMTMXKVKFOBZ-QZQOTICOSA-N 354.475 4.479 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(Cl)cc1N 12311692 IMCKYUQJVSZKCA-IFIJOSMWSA-N 367.873 4.083 0 40 FIAB CCCOc1ccc(-c2nn3c(-c4cccc(F)c4)nnc3s2)cc1 12390718 QZKZKWSTXFECME-UHFFFAOYSA-N 354.410 4.448 0 40 FIAB Cc1cccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 12911188 XSMCLLIXKQAHEN-UHFFFAOYSA-N 366.461 4.107 0 40 FIAB CC(C)CC[C@H](C)NC(=O)Cc1csc(COc2ccc(F)cc2)n1 14229530 VUETYAIVCHDTKP-AWEZNQCLSA-N 364.486 4.345 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl 15608617 CWLSMDSAQJBRMC-LBPRGKRZSA-N 362.832 4.189 0 40 FIAB Cc1noc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc(C(F)F)c12 19563788 PLSMSJNAXMVATK-ZDUSSCGKSA-N 363.408 4.365 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20141699 XQPLTMYYLLXPTA-UHFFFAOYSA-N 367.401 4.099 0 40 FIAB CCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)c1 20412309 DDPXXXHORNOUGM-UHFFFAOYSA-N 370.430 4.124 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20452261 YTPRMCYHPLHYEF-DLBZAZTESA-N 371.477 4.170 0 40 FIAB O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(Cc2cccnc2)CO1 20745008 FITDJUSALKVCOQ-UHFFFAOYSA-N 364.445 4.102 0 40 FIAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20992968 GLWZTVYLHASEDI-MRVPVSSYSA-N 363.792 4.212 0 40 FIAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 28612292 ZDUQTOZBLPNXDL-UHFFFAOYSA-N 371.742 4.083 0 40 FIAB C[C@@H](Nc1nc2ccccc2s1)C(=O)NCCSc1ccccc1 32768909 ODVCWQZUOTVUMD-CYBMUJFWSA-N 357.504 4.005 0 40 FIAB CC(=O)Nc1ccc(SC[C@@H](O)COc2ccccc2C(C)(C)C)cc1 32888234 RHKGWGNXLXHCTD-KRWDZBQOSA-N 373.518 4.475 0 40 FIAB CCc1nc(OCC(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2n1 33287311 GLLJCCRMQBOUNS-UHFFFAOYSA-N 359.788 4.002 0 40 FIAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1N 35288692 DGLBOFHUNHCONN-UHFFFAOYSA-N 372.881 4.176 0 40 FIAB COC(=O)c1cc(Nc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1 35526440 IZUINYWLABDMIJ-UHFFFAOYSA-N 356.765 4.147 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccnc3Cl)c12 36617371 DFSLCAOYHYGCAT-UHFFFAOYSA-N 354.753 4.092 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 36661288 AHCWSRBGFKIPHD-KRWDZBQOSA-N 364.493 4.424 0 40 FIAB COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 38423657 XTGUGVYFFYZHSJ-UHFFFAOYSA-N 368.864 4.498 0 40 FIAB in-vitro CCOc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc2c1 41092026 MTGBQCMVXWMIAU-OAHLLOKOSA-N 355.459 4.278 0 40 FIAB NC(=O)N[C@H](CC(=O)Nc1ccccc1-c1ccccc1)c1cccs1 42065482 CGAZOGQFDBOXIZ-QGZVFWFLSA-N 365.458 4.153 0 40 FIAB CC(C)(C)OC(=O)N1CCC(OCc2ccccc2Br)CC1 43830446 BTODOCWWAILSGM-UHFFFAOYSA-N 370.287 4.365 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc(C)c2)cc1OCC 44849850 DEGJOXOCSSOOCJ-IBGZPJMESA-N 371.477 4.266 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(c2cnccn2)C1 44893300 HWCNBFAFXVNSIP-QGZVFWFLSA-N 374.444 4.124 0 40 FIAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1 48282199 APDSNDIBTWQTPX-UGSOOPFHSA-N 361.401 4.188 0 40 FIAB COc1cccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c1 60964813 WWAYIGJEFUHSTB-UHFFFAOYSA-N 361.441 4.303 0 40 FIAB COc1ccc(CNC[C@@H](c2cccs2)N2CCC(C)CC2)cc1O 62580376 CWFAQKYDNAGZGW-KRWDZBQOSA-N 360.523 4.025 0 40 FIAB CC1CCN(C(=O)c2ccc(NC(=O)c3cc4ccccn4c3)cc2)CC1 74510978 LKGBBHPYPGCKHO-UHFFFAOYSA-N 361.445 4.064 0 40 FIAB C[C@H]1CCN(C(=O)c2ccc(OC3CCOCC3)cc2)[C@@H](c2ccco2)C1 75389388 URGZTHSOSFOVDR-OXJNMPFZSA-N 369.461 4.451 0 40 FIAB Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1 95430576 MGOMESDPTCRSAM-OAHLLOKOSA-N 360.479 4.131 0 40 FIAB O=C(Nc1ccc(-c2ccc[nH]2)cc1)N1CCN(c2ccc(F)cc2)CC1 95460768 HZLAPIMTGXJSOC-UHFFFAOYSA-N 364.424 4.175 0 40 FIAB CC(=O)Nc1cccc(CNC(=O)/C=C(\C)C23CC4CC(CC(C4)C2)C3)c1 96133992 CAZDDBOUAYTLKT-GIDUJCDVSA-N 366.505 4.424 0 40 FIAB COc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 102612260 PJKYTQJJUVENEU-QVKFZJNVSA-N 372.428 4.352 0 40 FIAB CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc12 145667632 SMLDMXHUDKURHO-MOSHPQCFSA-N 372.449 4.009 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219294308 ZRWCHHYDCMNHOX-CRAIPNDOSA-N 353.462 4.435 0 40 FIAB CC(C)Oc1ccc(CNC(=O)COc2cccc3c2CCCC3)cc1 223387373 KUNMVFGMSSGRRQ-UHFFFAOYSA-N 353.462 4.048 0 40 FIAB Cc1cc(C)c([C@H](C)NC(=O)CCc2ccc3c(c2)OCCO3)cc1C 223488696 YECDMGMXXSMWKT-KRWDZBQOSA-N 353.462 4.193 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccccc2C)cc1 224435748 KPFUCDMGDMBYKY-FQEVSTJZSA-N 355.478 4.300 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 224499335 UVWUDTXZKMDXRI-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)[nH]1 224915039 ITSSZGXHYBBQKD-RBUKOAKNSA-N 366.465 4.343 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccccc1 225187903 RLSMMFGWEOAKSQ-CQSZACIVSA-N 350.447 4.317 0 40 FIAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCC2CCCCC2)c1 225206554 FZLJYGLUSQLASM-ZHZULCJRSA-N 366.461 4.055 0 40 FIAB CN1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 225310804 JXRXYSGKUMTUBF-UHFFFAOYSA-N 372.896 4.384 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(O[C@H]2CCSC2)nc1 225713976 DOSAJWQBSKJNBS-LBPRGKRZSA-N 352.818 4.011 0 40 FIAB CCOc1ccccc1NC(=S)NCCOc1ccccc1Cl 225779547 BDXAQAOZFDQRTF-UHFFFAOYSA-N 350.871 4.104 0 40 FIAB Cn1ccc([C@@H]2CCCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)n1 390830410 KXCKMAOXVJKYGZ-MRXNPFEDSA-N 373.456 4.064 0 40 FIAB CCCCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408587085 BHALHEGCEGUHKL-UHFFFAOYSA-N 353.871 4.492 0 40 FIAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccccc2Cl)S1 408797183 BQUYROLRRLKTKO-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB Cc1ccc(C(=O)N2N=C3[C@H](C)CCC[C@H]3[C@]2(O)C(F)(F)F)cc1Cl 409173937 PUGPHUAGGSBBGA-SIVJFFJCSA-N 374.790 4.147 0 40 FIAB O=C(N1CCC[C@@H](Oc2ccncc2)C1)C1(c2cccs2)CCCC1 575604630 AZBBHFMABDUTGM-QGZVFWFLSA-N 356.491 4.025 0 40 FIAB Cn1nccc1CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 585080505 SEZQOCSBULDXSR-UHFFFAOYSA-N 360.914 4.105 0 40 FIAB CCN(C(=O)c1ccc(F)c2ccncc12)[C@@H](C)Cc1ccc(OC)cc1 668494168 YMDSHGFOQMFEIX-HNNXBMFYSA-N 366.436 4.476 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1c(F)cccc1F 1889046112 IDZUUZBPELEPJA-MRXNPFEDSA-N 359.397 4.157 0 40 FIAB FC(F)(F)c1cccc(NCn2nc(-c3cccnc3)oc2=S)c1 1425693 FAQLCNYLBJRJHE-UHFFFAOYSA-N 352.341 4.356 0 40 FIAB Cc1cccc(NC(=O)c2ccc(OC(=S)N3CCCCC3)cc2)c1 1434612 XQRXIPLXGJNNBE-UHFFFAOYSA-N 354.475 4.397 0 40 FIAB O=S(=O)(Cc1ccccc1)NC1c2ccccc2Oc2ccccc21 1865406 BBSYUJFFVGJEQN-UHFFFAOYSA-N 351.427 4.001 0 40 FIAB CCc1ccc2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1 2329150 YCFHNEXQDSSGPX-UHFFFAOYSA-N 361.449 4.189 0 40 FIAB Oc1c(Br)cc(C2SCCS2)cc1Br 2567025 XPGFLOLINYWQGV-UHFFFAOYSA-N 356.104 4.396 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1 2581305 ZDRYORNEMBJSII-UHFFFAOYSA-N 351.427 4.416 0 40 FIAB COc1ccc(Cl)cc1-n1nnc(C(=O)Nc2cc(C)ccc2C)c1C 2715838 PWVWFQIZBTWOOU-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB CC(C)(C)Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 2794885 YFUDDDKQKYHSKR-UHFFFAOYSA-N 374.293 4.451 0 40 FIAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NCCC1=CCCCC1 3275075 RAJAFHXFAOHQLZ-UHFFFAOYSA-N 356.249 4.157 0 40 FIAB Cc1cc(C)c(OCC(=O)OCC(=O)c2cc(C)c(C)cc2C)c(C)c1 3322587 WXKLMLIYCNIMKA-UHFFFAOYSA-N 354.446 4.342 0 40 FIAB COc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(C(F)(F)F)cc1 3378945 CAXYDRQRBOLGBF-UHFFFAOYSA-N 369.339 4.049 0 40 FIAB Nc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1 3542613 YDHPJLLGYOWBNQ-MRXNPFEDSA-N 366.471 4.318 0 40 FIAB CCOCc1c(C(=O)OCC(=O)c2ccc(F)cc2)oc2ccccc12 3543472 LRRBLLBKALUFHT-UHFFFAOYSA-N 356.349 4.148 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1 3561248 TVXSPJSOUYXTLB-UHFFFAOYSA-N 374.506 4.093 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1cccc(Cl)c1 4305056 QQQILPTVKNWCHH-LJQANCHMSA-N 366.848 4.467 0 40 FIAB Cc1ccc(NC(=O)C[C@H](C)CC(=O)N2CCCCCC2)cc1Cl 4700204 FWJLSKVGGGDQAX-AWEZNQCLSA-N 350.890 4.406 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1 4765500 PCDMWCUBLKTOTO-PGMHBOJBSA-N 356.425 4.405 0 40 FIAB Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5190792 OIELENKSMXDQNP-UHFFFAOYSA-N 374.531 4.155 0 40 FIAB CC(C)Oc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 5644323 LITNVVKRKCECHD-UHFFFAOYSA-N 364.239 4.254 0 40 FIAB NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCC2 5671605 MTYPMTREKGIXGD-DHZHZOJOSA-N 374.893 4.421 0 40 FIAB CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc21 6929808 MOVVBDXDEQIMHE-SFHVURJKSA-N 351.475 4.168 0 40 FIAB C[C@@H](NC(=O)CSc1nnc(C2CC2)o1)c1cccc2ccccc12 7290214 KJTLUVWRQWSYDB-GFCCVEGCSA-N 353.447 4.070 0 40 FIAB Cc1cc(=O)oc2cc(OCc3nc(-c4ccsc4)no3)c(Cl)cc12 7474485 BINMSJCPCDQNEX-UHFFFAOYSA-N 374.805 4.445 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 7928673 WRJWNKMZFLKRNU-IAGOWNOFSA-N 351.446 4.467 0 40 FIAB Cc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)cc1C 7974426 OMYLJERBSJYLIA-UHFFFAOYSA-N 358.290 4.131 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1 8041428 QLTHSJCUBZGEJJ-KXBFYZLASA-N 354.450 4.011 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(C)cc2)c1 8355876 ZVCNWQPOHMLNMS-HNNXBMFYSA-N 359.491 4.123 0 40 FIAB CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1ccccn1 8715228 FHKFRGXOYDXFKV-UHFFFAOYSA-N 360.339 4.101 0 40 FIAB Cc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)n1-c1ccccc1 8721463 LCGREVRFRNBROX-UHFFFAOYSA-N 373.865 4.293 0 40 FIAB Cn1c(SCC(=O)Nc2nc3ccc(F)cc3s2)nc2ccccc21 8808178 NTZJWSVOWATEND-UHFFFAOYSA-N 372.450 4.053 0 40 FIAB CC(C)Sc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 8921293 NXOBVWPLADQJRD-NSHDSACASA-N 353.538 4.182 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9076765 PIBAREOIVHGLCK-MRXNPFEDSA-N 360.360 4.105 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(S(C)(=O)=O)cc1 9154615 XCTWJHSCBTWMTC-UHFFFAOYSA-N 365.882 4.121 0 40 FIAB Cc1noc(C)c1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 9479592 FMCDSBXVJAOSTI-UHFFFAOYSA-N 352.419 4.457 0 40 FIAB CCNc1c(NC(=O)Nc2ccc(OCC)cc2)c(=O)oc2ccccc12 9607447 QUDLQCCZEMQNTG-UHFFFAOYSA-N 367.405 4.268 0 40 FIAB O=C(c1ccno1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 10254162 XFRCOMPDWSKGJD-UHFFFAOYSA-N 371.368 4.410 0 40 FIAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C)C(=O)NCc2ccccc2)c1 10878356 BMDIDKORTDTUSL-KRWDZBQOSA-N 365.502 4.286 0 40 FIAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 11613855 XURQMMXODUVZMY-UHFFFAOYSA-N 353.871 4.447 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11914536 NWOHZOIXGFFSCJ-UHFFFAOYSA-N 350.393 4.141 0 40 FIAB COc1cc(OC)c(C2=CCN(C(=O)c3ccc(C)s3)CC2)c(OC)c1 11918515 CCAKXXOJIGVWTF-UHFFFAOYSA-N 373.474 4.012 0 40 FIAB COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)ccc1C 12615293 VQEVLRIRSMEMIR-UHFFFAOYSA-N 352.459 4.366 0 40 FIAB COc1cc(NC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)cc(OC)c1 12779032 OXNAWUZGHJDJFZ-VQHVLOKHSA-N 371.433 4.152 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)Nc2ncc(C)s2)cs1 12817281 XJNYZDPBUOGYBF-UHFFFAOYSA-N 359.476 4.155 0 40 FIAB C[C@H]1c2ccsc2CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 12998351 XRNPHQRGPMSCGA-JTQLQIEISA-N 361.410 4.075 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)OC[C@H]1CCCN2CCCC[C@@H]12 13425029 QSWYVTSVHDNZFA-CJNGLKHVSA-N 372.292 4.180 0 40 FIAB biogenic Cc1cc(=O)oc2cc(OCCSc3nc4ccccc4n3C)ccc12 13688865 UCTHKZMARKYANJ-UHFFFAOYSA-N 366.442 4.159 0 40 FIAB biogenic Cc1ccc(CN(CCCn2ccnc2)Cc2ccnc3ccccc23)o1 13991247 CSIJNHGCSIPBDP-UHFFFAOYSA-N 360.461 4.425 0 40 FIAB COc1ccc(-c2nn(CN3CCC[C@H]3c3ccccc3)c(=S)[nH]2)cc1 14308378 CMCDXRXKBAGFCE-SFHVURJKSA-N 366.490 4.411 0 40 FIAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cnccn1 14604157 JAZYXFIXQVWMCU-UHFFFAOYSA-N 365.245 4.083 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccc(F)cc2)n1 15514530 QWMJFEPQPXZVED-UHFFFAOYSA-N 365.433 4.403 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1Cc2ccccc2O1 15579999 AXLISGBPRXNEGK-HXUWFJFHSA-N 355.397 4.172 0 40 FIAB COC(=O)c1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1 15940931 RZHYNEVFSDUHKL-UHFFFAOYSA-N 351.427 4.132 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1Cl 21869872 QVJFYTNJYMDNMN-MRXNPFEDSA-N 367.276 4.035 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N(C)Cc2ccc(C)cc2)cc1OC 22526302 ZXPNNDJUOKQHIR-OAHLLOKOSA-N 359.491 4.151 0 40 FIAB CC(C)N1CCN(CCCCOC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C 22795702 FSKGPBHZGYLCBA-INIZCTEOSA-N 367.921 4.083 0 40 FIAB O=C(CCc1ccccc1F)Nc1ccc(C(=O)Nc2cccnc2)cc1 24899513 VGESXBJHHHXSAC-UHFFFAOYSA-N 363.392 4.044 0 40 FIAB O=C(CCC(=O)c1ccccc1)OCc1noc(-c2ccc(Cl)cc2)n1 29384445 FNDATRAGFGNVIQ-UHFFFAOYSA-N 370.792 4.096 0 40 FIAB O=C(Nc1ccc(Cl)cn1)c1cc2cccc(Br)c2o1 31702292 RZDIHTJKMJLIFC-UHFFFAOYSA-N 351.587 4.496 0 40 FIAB CC(C)OC(=O)c1ccc(NC(=O)Cc2coc(-c3ccccc3)n2)cc1 32198284 PFUIPCTULMGTNE-UHFFFAOYSA-N 364.401 4.088 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)s1 32718986 FILIHHFAIFBIMM-CYBMUJFWSA-N 364.517 4.192 0 40 FIAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)c1nc(-c2cccnc2)no1 32901499 GGTGDIKFBQSJGF-SNVBAGLBSA-N 369.381 4.174 0 40 FIAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(c2cccc(F)c2)=NO1 33145202 JIJVYDLLCMFPHO-QGZVFWFLSA-N 367.405 4.081 0 40 FIAB CCc1cccc(C)c1-n1nnnc1[C@](C)(CC)Nc1ccccc1OC 35622257 BNDOAFTZQSEZRO-NRFANRHFSA-N 365.481 4.279 0 40 FIAB CCn1nc(C)c2c(C(=O)Nc3ccccn3)cc(-c3ccc(C)cc3)nc21 36613201 QHRBBOOKQBZMGC-UHFFFAOYSA-N 371.444 4.382 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)NCC(C)(C)N1CCOCC1 40096349 GJHLQLIXDITTHQ-UHFFFAOYSA-N 361.530 4.166 0 40 FIAB O=C(CCCc1nc(-c2ccccc2)no1)N1CCCCc2ccccc21 40133919 IPIXZWVYDFAVDW-UHFFFAOYSA-N 361.445 4.429 0 40 FIAB COc1ccccc1CN(C)C(=O)c1ccc(CN2CCC(C)CC2)cc1 44940955 SLASZSJLKZNYQQ-UHFFFAOYSA-N 366.505 4.199 0 40 FIAB O=C(c1ccc(I)cc1)c1cnc2ccccc2c1 45028942 MOLSQANUBBVFDQ-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB COCCOc1ccc(NC(=O)N[C@H](c2ccccc2)C2CCCC2)cn1 58157718 RLYDMQPZMQIEMC-HXUWFJFHSA-N 369.465 4.160 0 40 FIAB CCN(CC)[C@@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58788081 BTVSIMFTNFWNNK-JTQLQIEISA-N 370.337 4.184 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1NCc1ccco1)N1CCCCC1 67288497 SUHDFMSQNKLGCJ-UHFFFAOYSA-N 353.397 4.205 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1Cl)c1ccccc1 71846870 URLSEOPXVQHWNQ-CQSZACIVSA-N 367.836 4.399 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)NCc1cccc2ccccc12 74377093 OFJWEZTUQNHGKS-UHFFFAOYSA-N 363.442 4.200 0 40 FIAB CCO[C@@H]1C[C@H](N[C@@H](C)c2sc(CCOC)nc2C)C12CCCC2 92753721 VSACRZXFFBFASW-CWRNSKLLSA-N 352.544 4.029 0 40 FIAB CO[C@@H]1CCN(c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)C1 96122303 HUKQHIFEYYMETC-OAQYLSRUSA-N 360.457 4.246 0 40 FIAB c1ccc2oc(-c3nnc4sc(CCN5CCCCCC5)nn34)cc2c1 96194083 JFYOPBVPTPEPAJ-UHFFFAOYSA-N 367.478 4.018 0 40 FIAB CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 103659673 PTGGVIKFNQSFBY-NJXHAGHYSA-N 358.478 4.210 0 40 FIAB C[C@H]1CCCCN1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 108935715 HQMFJRSRTMDNBB-PXNSSMCTSA-N 350.462 4.028 0 40 FIAB Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)c(Br)c1 122899045 VWYUVJCWDSQKQM-UHFFFAOYSA-N 374.213 4.335 0 40 FIAB Cc1nc(C)c(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)s1 154891128 WVCWUUOGCINXNB-INIZCTEOSA-N 352.463 4.134 0 40 FIAB COc1cc([C@@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)ccc1O 169305501 KNUWZJNVRUBDEL-OTXZEDRASA-N 361.488 4.215 0 40 FIAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)Nc1ccccc1Cl 206688669 BSVUTRPUALLTBU-MRXNPFEDSA-N 362.838 4.398 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219318564 VSAGXPFFBCBHCT-OALUTQOASA-N 371.477 4.437 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 219594044 ODYNSVMKUSVTBA-OAQYLSRUSA-N 355.478 4.300 0 40 FIAB CC[C@H](NC(=O)c1ccccc1OC(C)C)c1ccc(OC)c(OC)c1 219745818 JVVUFKNFVWNSMP-KRWDZBQOSA-N 357.450 4.372 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(CC)c3C)N21 222692721 GHDUIXSWOLRFRV-ATZDWAIDSA-N 354.523 4.499 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 222822441 XLTGGKGVZSFPBF-ZDUSSCGKSA-N 365.524 4.309 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 222970074 CJXUGZKAGHCOAK-ICSRJNTNSA-N 355.478 4.353 0 40 FIAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223341404 VRMGGAKNLMDIIZ-QFIPXVFZSA-N 366.505 4.329 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccccc1C(C)C 223789531 FQRAUUBVMAUBCH-LJQANCHMSA-N 355.478 4.471 0 40 FIAB CC(C)CSc1nnc(NC(=O)CCCOc2ccccc2)s1 225601741 MEHWEQVLWCVXJS-UHFFFAOYSA-N 351.497 4.084 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1Cl 225884693 UUZRRISXFWWILO-UHFFFAOYSA-N 370.207 4.490 0 40 FIAB C[C@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1ccccc1 229798487 UYHGCPBBCRVDCH-KBARZSOFSA-N 368.506 4.166 0 40 FIAB ClC1=C(Cl)[C@]2(Cl)[C@@H]3C[C@@H]4O[C@H]4[C@@H]3[C@@]1(Cl)C2(Cl)Cl 256006975 VMNNMBZKONGDDQ-HEVSPMQYSA-N 354.875 4.235 0 40 FIAB CCOc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1 257231003 GETVLYQCACGTHO-ZEWLQOSNSA-N 357.494 4.104 0 40 FIAB Cc1ccc2c(c1)OC1(CCN(Cc3cscn3)CC1)[C@H]1CCCO[C@H]21 257263918 LRZYJLIBAMCLDE-AZUAARDMSA-N 370.518 4.346 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccccc1C(F)(F)F 409236834 HIRHFKDWVUDBQW-ZHACJKMWSA-N 351.324 4.375 0 40 FIAB CN(Cc1ccc2oc(C(=O)O)cc2c1)[C@H]1CCCN(c2ccccc2)C1 563278045 NLQNJKIAEAGYTM-IBGZPJMESA-N 364.445 4.232 0 40 FIAB CCC(CC)c1cc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)on1 585080129 QCGYEGNFJPSDLG-KRWDZBQOSA-N 361.873 4.018 0 40 FIAB O=C(N[C@@H]1C[C@H](c2cc(F)cc(F)c2)O[C@@H]2CCC[C@@H]12)c1ccccc1 2037843993 KKKNFMVCSXKMBQ-MTQWCTHYSA-N 357.400 4.394 0 40 FIAB O=CN(/C=C1\Sc2ccccc2C1=O)c1ccccc1Br 1107100 GQNHTRSGJKTVFO-DHDCSXOGSA-N 360.232 4.242 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 1306055 PEYGCVQGHBFGGT-GOSISDBHSA-N 371.481 4.051 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 1377648 NKEZYVHBLJLVIU-VXKWHMMOSA-N 366.480 4.450 0 40 FIAB CC1(CN2CCCCC2)COC(c2ccccc2)(c2ccccc2)OC1 1593627 HDRLIJMBSHGHAV-UHFFFAOYSA-N 351.490 4.427 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 1934552 CQEGXNNKEWREAS-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1 2314499 QCTWYOXBVNWMSS-RBBKRZOGSA-N 356.425 4.420 0 40 FIAB COCCNc1nc(SC(C)C)nc2sc3c(c12)CC(C)(C)OC3 2393026 IFVJGQFPUBXGGW-UHFFFAOYSA-N 367.540 4.101 0 40 FIAB COc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2723171 QPZVGERSTUHZMS-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3csnn3)cc2)cc1 3104184 WAPZXHIGSBWXLE-UHFFFAOYSA-N 374.487 4.270 0 40 FIAB O=C(COc1ncnc2ccccc12)Nc1cccc(Oc2ccccc2)c1 3267007 CSUOBNYHEJGBOK-UHFFFAOYSA-N 371.396 4.440 0 40 FIAB COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 3267474 DKWBCHYIGHCGOO-HNNXBMFYSA-N 361.463 4.051 0 40 FIAB CCc1ccc(CN2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc1 4745011 WIFMXZVPDQOTKW-QHCPKHFHSA-N 362.517 4.046 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCc4ccccc43)o2)cc1 5210540 OKKZONDXKUROKV-CQSZACIVSA-N 365.458 4.115 0 40 FIAB S=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2[nH]c3ccccc3c2C1 5253617 NXEZDFIMBMXMPH-UHFFFAOYSA-N 365.546 4.369 0 40 FIAB Cc1cc(=O)n(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c2ccccc12 5443619 ATXXZPRIZZTJII-INIZCTEOSA-N 352.821 4.157 0 40 FIAB COc1cc(NC(=O)COc2ccccc2Cl)c(OC)cc1Cl 5512113 CHBSAMCISWDBGO-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB Cn1c(SCCSc2ccc(Cl)cc2)nnc1-c1ccncc1 6139394 SPHJXUKCRJZMFE-UHFFFAOYSA-N 362.911 4.415 0 40 FIAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1F 6538494 UPKRTOYVTJQOSK-LBPRGKRZSA-N 355.365 4.052 0 40 FIAB Cc1cc(Br)ccc1NC(=O)CSCc1c(C)noc1C 6784808 HUKSGMBBTIFHBO-UHFFFAOYSA-N 369.284 4.234 0 40 FIAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1F 7821615 JXUYXNTZJCIJMV-UHFFFAOYSA-N 362.451 4.258 0 40 FIAB Cc1ccc(F)cc1NC(=O)COc1ccc(F)cc1Br 7970681 HHYZPLLXSNINQP-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB Cc1cccc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 8276427 FZPLUZVYPDVQJP-QFIPXVFZSA-N 369.461 4.049 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccccc1F 8289364 DJBKIYWFYTZRKP-UHFFFAOYSA-N 366.845 4.098 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2C)n1 8476649 JXKXCDQVRMCAAE-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(Cl)c1Cl 8772598 VPZNPHMHSKHENC-UHFFFAOYSA-N 353.205 4.213 0 40 FIAB COC(=O)c1ccc2oc(SCC(=O)c3ccc(Cl)cc3)nc2c1 8816130 MAPGCXKUNOZTQP-UHFFFAOYSA-N 361.806 4.243 0 40 FIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1F 8917103 HEDITBBZELDJTJ-GOSISDBHSA-N 351.377 4.196 0 40 FIAB C[C@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccc2ccccc2c1 10128608 BJKBYGBSJPVYSK-MRXNPFEDSA-N 350.437 4.116 0 40 FIAB O=C(Nc1cc(F)ccc1F)C1=Cc2cc(Br)ccc2OC1 10367724 YRQLZWWCXJUPKG-UHFFFAOYSA-N 366.161 4.142 0 40 FIAB COc1ccccc1NC(=O)N1CCC(CCc2ccc(O)cc2)CC1 10383188 XNTYMXLZNDEKGQ-UHFFFAOYSA-N 354.450 4.278 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)c(Cl)c1 10414290 FAVBRGHYORBLAK-UHFFFAOYSA-N 369.751 4.241 0 40 FIAB Cc1cccc(OCCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1 11178640 LTWGVRNQENXOCH-UHFFFAOYSA-N 364.401 4.248 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12790013 ZVTUSYTYZVOSAY-MRXNPFEDSA-N 353.466 4.125 0 40 FIAB COc1ccc(F)cc1-c1csc(CC(=O)Nc2ccc(C)cc2)n1 12813176 RSVWPNWQQISQMO-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1ccc(Cl)s1 14093182 FERRXCSERYPVJA-AORWBKJGSA-N 372.881 4.215 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(F)cc2Br)cc1F 14197649 SUWDMJUWOXXAGU-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB CC(=O)c1ccc(NC(=S)NCCc2c[nH]c3ccc(F)cc23)cc1 17073469 GFGJTYWSJHZJLK-UHFFFAOYSA-N 355.438 4.039 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(=O)O)ccc1C 20141325 QXBLKSCAKTUXKQ-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccccc4)c3)nn12 20609612 RWDDOILPFZKTGQ-UHFFFAOYSA-N 363.446 4.058 0 40 FIAB Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1CCN1CCCCCC1 21170825 UHIQVIYSIIDJEF-NRFANRHFSA-N 372.553 4.329 0 40 FIAB Cc1cccc(-c2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)no2)c1 21806561 VXGVDDKXJZLMHX-UHFFFAOYSA-N 371.824 4.333 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1c[nH]c2ccccc2c1=O 22233928 KFAVNXBVPFXMCQ-UHFFFAOYSA-N 366.726 4.453 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)NC3CCCCC3)ccc21 22507933 LGOWWCRDXIGEJL-UHFFFAOYSA-N 357.498 4.466 0 40 FIAB Cc1c(OC(=O)C2CCOCC2)ccc2c(-c3ccccc3)cc(=O)oc12 26882816 QMPPZZAPWOFPIQ-UHFFFAOYSA-N 364.397 4.100 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 27918416 QFXSXBJVSWIAGQ-MRXNPFEDSA-N 368.502 4.432 0 40 FIAB CCOC(=O)c1ccc(N2CCC[C@H](c3nc4ccccc4s3)C2)nc1 29372065 HOVQFARVBQOMJN-HNNXBMFYSA-N 367.474 4.252 0 40 FIAB COc1cccc(-c2nc(CC(=O)Nc3ccc4cc[nH]c4c3)cs2)c1 32100175 ZGZZUBBNZODAMK-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB CC(C)(C)c1cc(NC(=O)CN(Cc2ccco2)Cc2cccs2)on1 32759239 LCPGNRHRYOHNKL-UHFFFAOYSA-N 373.478 4.268 0 40 FIAB COc1ccc(C2=CCN(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 32936968 VTZXRCWKKOYFDC-UHFFFAOYSA-N 354.425 4.142 0 40 FIAB CC[C@H](CNC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccccc1 33220070 VOLHOXHFQLENQG-QGZVFWFLSA-N 363.461 4.369 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)c3cccc(F)c3)cc2)n1 35322628 NYJMPWOSNWHFRR-UHFFFAOYSA-N 365.452 4.336 0 40 FIAB COc1ccc([C@H]2CCCCCN2Cc2nc3ccsc3c(=O)[nH]2)cc1 35399944 MZHVEWCBWWNJKQ-QGZVFWFLSA-N 369.490 4.111 0 40 FIAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 36171624 VXPFKVNGAIMZFQ-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCC(c2ccccc2)CC1 40108686 JFNXPCNMYKWNRY-UHFFFAOYSA-N 365.458 4.018 0 40 FIAB Cc1cccc(-n2ccnc2S[C@@H](C)c2nnnn2-c2ccccc2)c1 40127549 BVZCZZSBTQFHBC-HNNXBMFYSA-N 362.462 4.010 0 40 FIAB CSc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 40970829 KMOIIUOEQABXCF-NTCAYCPXSA-N 353.472 4.439 0 40 FIAB COc1ccccc1C1(CNC(=O)Nc2cccc(Cl)c2)CCOCC1 41595115 DTUIUUWMTQNBIT-UHFFFAOYSA-N 374.868 4.219 0 40 FIAB C[C@H](NC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc(Cl)c1 43874969 NEIHQEZQQCPDAV-LBPRGKRZSA-N 357.841 4.115 0 40 FIAB Cn1cc(-c2nc(C(=O)Nc3cccc(OC4CCCC4)c3)cs2)cn1 44979603 ZNTNJFRXJHJOTM-UHFFFAOYSA-N 368.462 4.117 0 40 FIAB O=C(CCOc1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 46178517 XHDCTUBJUYLDBV-KRWDZBQOSA-N 369.852 4.349 0 40 FIAB CN(C)CCOc1ccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 56664290 GOAJRMSECGPVOJ-LJQANCHMSA-N 373.884 4.089 0 40 FIAB O=C(CNc1ccc(SC(F)F)cc1)NCCCc1ccccc1 57987288 CKRSQXNJOFVHEW-UHFFFAOYSA-N 350.434 4.162 0 40 FIAB CCn1c(=O)n(CCC(=O)N(C)c2cccc3ccccc23)c2ccccc21 69372594 ALUNPLIGOTUULB-UHFFFAOYSA-N 373.456 4.029 0 40 FIAB Cc1ccc(NC(=O)NCCCN2CCC(C)CC2)c(Br)c1 71901025 USZSDLULPLFFAL-UHFFFAOYSA-N 368.319 4.001 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C=O 72215286 DPJDDCGWBXSBQY-RDJZCZTQSA-N 361.486 4.305 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C=O 72215287 DPJDDCGWBXSBQY-NVXWUHKLSA-N 361.486 4.305 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348823 LYONUDKCBQWRCL-OAQYLSRUSA-N 373.500 4.456 0 40 FIAB CCCCc1ccc(-n2nc3cc(Br)c(N)c(C)c3n2)cc1 73740160 OZEMHEQTKXPDGZ-UHFFFAOYSA-N 359.271 4.416 0 40 FIAB O=C(Nc1cccc2cnccc12)N1CC(OCCCc2ccccc2)C1 75107202 CJIOPWNOZHPKOH-UHFFFAOYSA-N 361.445 4.100 0 40 FIAB CCOc1cccc([C@@H](C)NC(=O)c2cc(C)ccc2N2CCCC2)c1 78763285 CFNHSKHRJLUAIW-QGZVFWFLSA-N 352.478 4.485 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnn(-c2cccnc2)c1 79104713 WPUUAPMSBHUILZ-UHFFFAOYSA-N 370.412 4.099 0 40 FIAB Cc1cc(C)c(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)cc1C 85397379 IEUFLFMSFBCSKM-UHFFFAOYSA-N 360.479 4.347 0 40 FIAB Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)CCc2ccco2)c1 89669138 BWRGMUSZHJFZEE-JOCHJYFZSA-N 363.457 4.283 0 40 FIAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)/C=C/c1ccccc1 95389787 AMAKASJHHJOCLA-JXMROGBWSA-N 353.372 4.170 0 40 FIAB COc1cccc2cc(CNC[C@H](O)c3cc4ccccc4s3)oc12 95965137 LZQSOVTWTQQEFQ-INIZCTEOSA-N 353.443 4.479 0 40 FIAB c1ccc(CCc2ccnc(NCc3ccc(N4CCCC4)nc3)c2)cc1 95972338 GLWKWHWRYNJAKN-UHFFFAOYSA-N 358.489 4.474 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cccc2c1ccn2C 96221678 CMABLGKMIGIQME-HXUWFJFHSA-N 373.456 4.476 0 40 FIAB biogenic Cc1ccc(N2N=N[C@@H]3CC[C@@H](C4=CCCC4)[C@]32N2CCOCC2)cc1C 102133269 QREAMPJMFCEADK-BHDDXSALSA-N 366.509 4.408 0 40 FIAB COc1cccc([C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)c1 130236807 ZBNVUERESMQRHP-NRFANRHFSA-N 364.445 4.007 0 40 FIAB Cc1c(NC(=O)c2nc(C(C)C)ncc2Cl)cnn1-c1ccccc1F 153432498 NPBAMWXREBZYNQ-UHFFFAOYSA-N 373.819 4.139 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)ccc1C 216434065 KAHSFVDCNNDFHV-GOSISDBHSA-N 355.434 4.195 0 40 FIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 222551652 JXTXGLRGLQGTBY-INIZCTEOSA-N 353.462 4.048 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)c1 222894125 BOEKPHDVPJRCJQ-IBGZPJMESA-N 355.434 4.222 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc1 223423070 YKWMLFLMIFHXSB-GFCCVEGCSA-N 351.497 4.001 0 40 FIAB Cc1cc(OCC(=O)Nc2nnc(SCC(C)C)s2)ccc1Cl 224492965 GSVWTKIAPFGOJD-UHFFFAOYSA-N 371.915 4.266 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SC(C)C)s1 225530970 RMOLHEXLFOEYQM-GFCCVEGCSA-N 371.915 4.488 0 40 FIAB CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225727286 YWAJVHKHXPAART-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB COc1cccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 225904819 LTIUBTACESINGJ-QGZVFWFLSA-N 372.896 4.224 0 40 FIAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)Nc1ccccc1Cl 245026552 NADDREKHIJYFSQ-KRWDZBQOSA-N 362.838 4.052 0 40 FIAB O=C(N1CCCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257256454 KLOJOYCSHCIGKD-UHFFFAOYSA-N 364.489 4.100 0 40 FIAB CC[C@H](C)n1ncc(NC(=O)N2CCCC[C@H]2c2nccn2CC)c1C 331621490 NJYIWCPHQVMIOD-YOEHRIQHSA-N 358.490 4.138 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1Cl 408590996 HRGKYSJRFIFNJY-UHFFFAOYSA-N 357.884 4.261 0 40 FIAB Cc1ccc(SCC(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408714083 IBIFNGZOXJZRBE-UHFFFAOYSA-N 367.474 4.104 0 40 FIAB COc1cccc(C[C@H]2CCCN2C(=O)Nc2scnc2C2CC2)c1 534252473 ULRQCNASMAAYDN-OAHLLOKOSA-N 357.479 4.268 0 40 FIAB CC(C)Cn1ncc(-c2nc([C@H]3CCOc4ccccc43)no2)c1C1CC1 569153123 JMUGWFCUVLGPMJ-INIZCTEOSA-N 364.449 4.381 0 40 FIAB Cc1nc(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)co1 585113659 GACFMXNFZXTFQS-KRWDZBQOSA-N 368.355 4.119 0 40 FIAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](Cc2ccccc2)[C@@H]1C(=O)O 601013343 IUXAQXHMVAZGGR-RBUKOAKNSA-N 367.445 4.217 0 40 FIAB FC1(F)CCN(Cc2ccc(I)c(Cl)c2)CC1 619553513 MHQVTIRELHGSOS-UHFFFAOYSA-N 371.596 4.176 0 40 FIAB CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCCc3cccnc32)c1 653971535 YWJVQGAATNNOEY-UHFFFAOYSA-N 371.484 4.307 0 40 FIAB COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CC[C@H]2C[C@@H]2C1 665892893 JQDIXUIEHVZGFE-JKSUJKDBSA-N 370.424 4.287 0 40 FIAB Cc1cnc([C@H](C)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)o1 678462606 JAQSUAAHTGHJCP-ZFWWWQNUSA-N 356.401 4.113 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 624328 WUDTVMSBDXPXSY-UHFFFAOYSA-N 359.447 4.065 0 40 FIAB O=C1CS[C@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl 1402893 NRZBRLLGBHOTSK-MRXNPFEDSA-N 366.269 4.337 0 40 FIAB CCOC(C(=O)OCCCN(CC)CC)(c1ccccc1)c1ccccc1 1831931 RWRUUZFOYYRACJ-UHFFFAOYSA-N 369.505 4.242 0 40 FIAB CSc1ccccc1C(=O)c1cccc(I)c1 2392621 ABSJACNSFDEYTQ-UHFFFAOYSA-N 354.212 4.244 0 40 FIAB CC(C)Cn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2393496 OMBNMMKNJKJCNX-UHFFFAOYSA-N 366.465 4.312 0 40 FIAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)c(F)c1 2643406 QVANIOJXPRVMJM-UHFFFAOYSA-N 355.406 4.072 0 40 FIAB O=C(CSc1cccc[n+]1[O-])N1c2ccccc2Sc2ccccc21 3223238 SANUEMXBXLYEJK-UHFFFAOYSA-N 366.467 4.242 0 40 FIAB O[C@@H](CNCCc1ccc(Cl)cc1)COc1cc(Cl)ccc1Cl 3383822 GXPXXNSHNFOFNY-HNNXBMFYSA-N 374.695 4.219 0 40 FIAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccccc1 3488533 WVVFEYNNCPNHPC-UHFFFAOYSA-N 361.397 4.061 0 40 FIAB Cc1cc(C(=O)OCc2nnc(-c3cccs3)o2)c2ccccc2n1 3535985 GVUKMGDKKHRXKE-UHFFFAOYSA-N 351.387 4.012 0 40 FIAB O=C(COc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 3606573 GKHIIYHEHCWGEP-QGZVFWFLSA-N 360.251 4.022 0 40 FIAB CCCCOP(=O)(OCCCC)O[C@@H](C(=O)OCC)C(F)(F)F 4277125 WEBLQRFRVPLHKB-NSHDSACASA-N 364.297 4.239 0 40 FIAB Cc1ccccc1Cn1c(CCCNC(=O)c2ccco2)nc2ccccc21 4386833 WGSADCRMVDCWCP-UHFFFAOYSA-N 373.456 4.349 0 40 FIAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 4426247 QDEXPMQUAKQLNM-HNNXBMFYSA-N 361.397 4.458 0 40 FIAB COc1c(C)cccc1C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C 4488153 XNYJYZNTXCIGEQ-UHFFFAOYSA-N 364.401 4.410 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 4816601 CTTRQPZQPKODHM-MSOLQXFVSA-N 370.815 4.158 0 40 FIAB S=C1NC(c2ccccc2)=NCN1N(c1ccccc1)c1ccccc1 5445058 RFQWPMKTKXBXDY-UHFFFAOYSA-N 358.470 4.334 0 40 FIAB OCc1cc(Br)ccc1OCc1nc2ccccc2s1 5468409 MXCICYQSYBRVAM-UHFFFAOYSA-N 350.237 4.130 0 40 FIAB O=C(O)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1O 6045138 HZOCDNNYNJVUCU-UHFFFAOYSA-N 357.218 4.206 0 40 FIAB C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 6354747 QDQVWKIJNDUPKE-VIFPVBQESA-N 373.277 4.168 0 40 FIAB Cc1ccccc1SCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 6648460 PBXZTXNOKFHGGQ-INIZCTEOSA-N 351.475 4.150 0 40 FIAB CCCSc1ncc(Cl)c(C(=O)Nc2ccccc2OCC)n1 6810518 YWPBAWKLDDBCBK-UHFFFAOYSA-N 351.859 4.283 0 40 FIAB CCc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(OC)cc2)cc1 6870927 ZMUHKFRNWZBFKT-UHFFFAOYSA-N 368.502 4.440 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](Sc1ncccn1)c1ccccc1 6910941 JKZRLESPOLUECN-SFHVURJKSA-N 365.458 4.347 0 40 FIAB CCOc1ccc2oc(C(=O)O[C@@H](C)C(=O)NC3CCCCC3)c(C)c2c1 7205557 AKJGCQSIMZVKFN-AWEZNQCLSA-N 373.449 4.134 0 40 FIAB CCn1c(SCc2ccc(-n3cccn3)cc2)nnc1-c1ccco1 8157092 VYMJVAILZDFYOR-UHFFFAOYSA-N 351.435 4.036 0 40 FIAB CCn1c(SCc2cc(F)ccc2OC)nnc1-c1ccccc1OC 8344363 KCOFLOUZCLNCHU-UHFFFAOYSA-N 373.453 4.414 0 40 FIAB CC(C)c1ccc(N2C[C@@H](c3nc(-c4cccs4)no3)CC2=O)cc1 9318699 GPKYEYFVQOUUFA-AWEZNQCLSA-N 353.447 4.442 0 40 FIAB Cc1nnc(S[C@@H](C(=O)Nc2ccccc2)C(C)C)n1-c1ccccc1 9364575 FIRRAJZZZSMKFQ-GOSISDBHSA-N 366.490 4.331 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 9478682 RPJLHUNXIMAMTF-FQEVSTJZSA-N 354.837 4.393 0 40 FIAB Cc1cccc(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 10110770 MXOAIBBMTWNWGU-UHFFFAOYSA-N 358.290 4.213 0 40 FIAB Cc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)c(C)c1 10506405 ATSSDWYJZDGAGU-UHFFFAOYSA-N 355.507 4.301 0 40 FIAB CCCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1CCC 12390487 ZOTPOYCMTFZSFV-UHFFFAOYSA-N 362.495 4.086 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccccn2)N1c1ccc(OC(F)F)cc1 12542587 AYCPBLIDQGDYRR-SFHVURJKSA-N 367.355 4.454 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(C)nc2ccccc12 12689302 HMHZPHBUUCAOQR-NZQKXSOJSA-N 371.484 4.300 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)NC1CCC(C(F)(F)F)CC1 12853493 IWRCQHRUZBKHDG-UHFFFAOYSA-N 369.412 4.364 0 40 FIAB Cc1cc(NC(=O)CNc2cc(Cl)ccc2Oc2ccccc2)no1 13011852 YMDYHFWQLLUJAF-UHFFFAOYSA-N 357.797 4.479 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2Cl)ccc1Cl 13709975 SCTMBUAZYAEZFG-JTQLQIEISA-N 368.216 4.186 0 40 FIAB Cc1c(CC(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)oc2cc(O)ccc12 13723032 ZYLNXXOSKLAZFR-UHFFFAOYSA-N 365.429 4.286 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 14002802 QUAQAOTXHFIFTE-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC[C@H](C)c2ccccc2)o1 14093959 XDJKTGFDQZPHKI-GXTWGEPZSA-N 371.462 4.039 0 40 FIAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccc(F)cc1)O[C@H](C)C2 16302631 QGFNKUARBKKAMC-CYBMUJFWSA-N 371.408 4.149 0 40 FIAB CCOP(=O)(OCC)c1nc(-c2ccco2)oc1NCc1ccco1 16749869 SSKVZOBHTWWTAP-UHFFFAOYSA-N 366.310 4.031 0 40 FIAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(OCc3ccccc3F)cc2)n1 19716894 SAMVWEXDRROCPV-MRXNPFEDSA-N 367.424 4.418 0 40 FIAB OCc1ccc(-c2ccc(I)cc2C(F)(F)F)o1 20436076 SMOIYBCKNWWHBK-UHFFFAOYSA-N 368.092 4.062 0 40 FIAB COc1ccc(SCC(=O)N(C)Cc2ccc(Cl)cc2)cc1OC 20495235 BPRJDSNIWLVTAU-UHFFFAOYSA-N 365.882 4.108 0 40 FIAB CCc1ccc2nc(Nc3nc(-c4ccc(C)cc4)cc(=O)[nH]3)nc(C)c2c1 20633963 NFQPATFMBXJSQM-UHFFFAOYSA-N 371.444 4.303 0 40 FIAB C[C@@]1(C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1(Cl)Cl 22531479 SOJJSDLNXKFFJT-AWEZNQCLSA-N 358.656 4.107 0 40 FIAB CC(C)c1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccncc3)no2)cc1 23100800 QYFSPLAOGJRCJK-OAHLLOKOSA-N 364.449 4.065 0 40 FIAB Cc1cccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c1 27019398 WMJVBXWYSZATNT-IBGZPJMESA-N 350.443 4.107 0 40 FIAB CCN(CC)[C@@H](CNC(=O)COc1cccc(C)c1)c1ccccc1Cl 27582304 SQIQAYXAOKGZLS-FQEVSTJZSA-N 374.912 4.227 0 40 FIAB CCOCc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 28331294 LOQZRQLULZAWRY-UHFFFAOYSA-N 374.289 4.008 0 40 FIAB O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccccc1)Cc1ccco1 28580845 MNBSEQDNCXVDEA-LJQANCHMSA-N 371.864 4.375 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C3SCCS3)cc2)no1 29237924 YZZLXWUXDRVXDJ-INIZCTEOSA-N 360.504 4.439 0 40 FIAB CC(C)c1nc(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)cs1 31714538 KBPOPUSIWPFOBD-UHFFFAOYSA-N 358.385 4.389 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(Cl)n1C)O[C@@H](C)C2 32827111 GIVIHLQYJBOSAH-VIFPVBQESA-N 369.248 4.306 0 40 FIAB CN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccsc1 32857865 IESKANPAGUMRLO-UHFFFAOYSA-N 373.703 4.235 0 40 FIAB Cc1cccc(NC(=O)CN(C)c2ncc(C(F)(F)F)cc2Cl)c1C 33012140 CEZBUQGUIKYTNG-UHFFFAOYSA-N 371.790 4.446 0 40 FIAB CNC(=O)c1cccc(CNC(=O)/C=C/c2cccc(-c3ccccc3)c2)c1 40106570 ZCUQYAMCCAHDJM-BUHFOSPRSA-N 370.452 4.043 0 40 FIAB CC(C)(C)C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 44894065 GZXCSLKOSZXNQB-HXUWFJFHSA-N 358.445 4.354 0 40 FIAB Cc1nc2ccccc2nc1COC(=O)c1[nH]c2ccccc2c1Cl 48250785 UCCYUNHNYFWBKK-UHFFFAOYSA-N 351.793 4.430 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cncc(Br)c1 48311828 KIYBHYSRENLJIH-UHFFFAOYSA-N 373.172 4.135 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1C 51364439 DFNZJWOBKDNSPW-GOSISDBHSA-N 358.441 4.462 0 40 FIAB CCOc1cccc(CNCc2cccc(NC(=O)c3ccncc3)c2)c1 55171564 MHODKCPZAPZYDB-UHFFFAOYSA-N 361.445 4.022 0 40 FIAB CC[C@H](C(=O)NCc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 55986727 PZTLERBKTVTKFB-NRFANRHFSA-N 373.456 4.144 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N3CCC[C@@H]3C3CCCC3)cc2)n1 56034504 UJIUVFWNGRWBAC-GOSISDBHSA-N 371.506 4.465 0 40 FIAB O=C(Cc1ccccc1)Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 57721632 XHRHWOGEARLGFR-UHFFFAOYSA-N 366.424 4.387 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 57993694 FODSKMNFLQGHOI-AWEZNQCLSA-N 365.433 4.326 0 40 FIAB c1ccc2sc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2c1 58171292 MOKSIAWFVCFTEG-INIZCTEOSA-N 352.459 4.405 0 40 FIAB Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1Oc1cccc(F)c1 58193607 CHNNRCQYSQTPCX-UHFFFAOYSA-N 353.397 4.150 0 40 FIAB CC[C@@H](Sc1nnc(SCC(N)=O)s1)c1ccc(Cl)cc1 58208948 JJFFTUDRFVPCIU-SNVBAGLBSA-N 359.929 4.012 0 40 FIAB O=C(/C=C/c1ccccc1F)Nc1ccccc1CN1CCSCC1 58424378 YYAQMGJAGIEKPJ-MDZDMXLPSA-N 356.466 4.026 0 40 FIAB CCN(C(=O)Nc1ccc2oc(=O)ccc2c1)[C@@H](C)c1cccc(O)c1 65819126 OYWINCZIAZYAHP-ZDUSSCGKSA-N 352.390 4.114 0 40 FIAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)C1CCC1 67889974 CERJWIUNVURBJO-UZLBHIALSA-N 368.477 4.127 0 40 FIAB biogenic,in-vitro CC(C)Cc1noc(CNc2cc(C(F)(F)F)ccc2N2CCCC2)n1 69929118 FQTRXGUUOBFRMJ-UHFFFAOYSA-N 368.403 4.499 0 40 FIAB CCc1cc(N(C)[C@H](C)Cc2ccccc2OC)nc(-c2ccncc2)n1 76061425 ZOUJPGSUAKEJJN-MRXNPFEDSA-N 362.477 4.177 0 40 FIAB O=C(NCC[C@@H](O)c1cccc2ccccc12)Nc1c(F)cccc1F 77119036 GVDUCEJGIVZLQW-GOSISDBHSA-N 356.372 4.363 0 40 FIAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)/C=C/c1cnccn1 84810940 MOEPNMDEXJEYQP-PPYMECGQSA-N 351.450 4.208 0 40 FIAB C[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccccc1C(F)(F)F 97001884 XOCHDDDORDXGLI-NWDGAFQWSA-N 361.367 4.354 0 40 FIAB CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1=C(O)CCCC1=N2 102678950 QXNDSXPOSUOUBV-MRXNPFEDSA-N 356.451 4.070 0 40 FIAB CCOc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 105118651 UQHQGFVDIODDAP-ABHRYQDASA-N 353.409 4.241 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccccc1C 219610434 LELFKBJUCBUGHG-MAUKXSAKSA-N 361.869 4.390 0 40 FIAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccccc2C)c2ccccc2O1 224098498 VRVLSDRQRAHXTN-IBGZPJMESA-N 373.518 4.497 0 40 FIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 224352698 WWMXKOGVJNBWPY-VQTJNVASSA-N 362.502 4.458 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1C 224394506 ATIZDLCIVDVZHQ-OALUTQOASA-N 366.465 4.045 0 40 FIAB O=C(CCSc1ccccc1)NCc1cccc(CN2CCCCC2)c1 224645753 ARNVMEUSBJVTSI-UHFFFAOYSA-N 368.546 4.471 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc21 225153119 KHQUKJYZAZNXMP-GFCCVEGCSA-N 374.437 4.189 0 40 FIAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCCC2=CCCCC2)n1 225917084 HKAIGQZOQTYUAH-UHFFFAOYSA-N 350.466 4.457 0 40 FIAB CCc1c(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)C[C@H]2C)[nH]c(C)c1C(=N)O 332144867 NJOGARCMYWRWSF-IFIJOSMWSA-N 353.466 4.176 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCCSCc2ccccc2Cl)c1 408705721 LZQOPENODLXLRJ-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)NC(=S)N1C1CCCCC1 409078387 CBMZPWKUDFSQTD-JYRVWZFOSA-N 371.289 4.089 0 40 FIAB CCCn1c(SCC(=O)NCC(C)C)nc2ccc(C(F)(F)F)cc21 11021859 VBAHLIZYMYESGC-UHFFFAOYSA-N 373.444 4.329 0 40 FIAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccncc1 8074274 XSYHFGQRGDZOPH-UHFFFAOYSA-N 371.234 4.376 0 40 FIAB Cc1[nH]c2ccc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2c1C 16681135 JBDSKQSCTXCSJD-UHFFFAOYSA-N 365.824 4.271 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)cc1 1087556 OUJJTXXWMJYZNR-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC(C)C)c2c1 1368202 NFZXXTHMKOQZGR-UHFFFAOYSA-N 365.502 4.476 0 40 FIAB COc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 2628817 HBEKLTTYKKNVMZ-UHFFFAOYSA-N 371.487 4.020 0 40 FIAB Cc1cc(NC(=S)Nc2ccc3c(c2)OCO3)ccc1Br 6963698 CFSVEVYHMWWXHD-UHFFFAOYSA-N 365.252 4.295 0 40 FIAB COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1OC 7995957 WYWRSBOYSFEIBI-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCCc1ccccc1 11865953 QLVFTUZNWJFRSE-LJQANCHMSA-N 368.502 4.072 0 40 FIAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 20717522 JBHLCEDURYBUFJ-UHFFFAOYSA-N 353.853 4.165 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8050101 MNBQGOKAZOTRGQ-SJORKVTESA-N 368.477 4.238 0 40 FIAB Cc1ccc(CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 8076653 GYNCDIORVLLAIM-UHFFFAOYSA-N 360.461 4.161 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1C 10473094 PUUMVNPRNKVGEK-LJQANCHMSA-N 368.477 4.321 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 2628765 IMNGWKNBTWPZOC-HXUWFJFHSA-N 374.440 4.048 0 40 FIAB O=C(NCc1ccccc1OC(F)(F)F)N[C@H]1CCc2ccccc21 32843842 CSGRIJIDEKBVFI-HNNXBMFYSA-N 350.340 4.072 0 40 FIAB CC(C)CO[C@@H](C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 32935252 TWPBTMMYXFQHHS-LBPRGKRZSA-N 361.442 4.202 0 40 FIAB CSc1cc(C)c(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(C)c1 645852 UIAOOYJZXMKWMC-UHFFFAOYSA-N 358.463 4.001 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc(Br)ccc2o1 28250143 DBGORYLCLVRXTJ-UHFFFAOYSA-N 374.190 4.219 0 40 FIAB COc1ccccc1CC(=O)Nc1c(-c2ccccc2)nc2ccccn12 12532349 QHPJGMFPUZGBNF-UHFFFAOYSA-N 357.413 4.191 0 40 FIAB COc1ccc2nc(C)cc(SCC(=O)Nc3ccc(F)cc3)c2c1 915702 RJCQDTZMFUSIDI-UHFFFAOYSA-N 356.422 4.422 0 40 FIAB Cc1nc(SCCCOc2ccc(F)cc2)n(C[C@H]2CCCO2)c1C 12520229 QZWXWVGVPCSMLX-GOSISDBHSA-N 364.486 4.379 0 40 FIAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc(F)cc1 1270163 MCXKFQSDKSVFBX-UHFFFAOYSA-N 352.394 4.002 0 40 FIAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1C1CCCCC1 24715230 JFFQJNBCOMUIKY-UHFFFAOYSA-N 352.438 4.032 0 40 FIAB Cn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc21 12524812 NBXHRAAISVRXEP-GOSISDBHSA-N 351.475 4.029 0 40 FIAB Brc1c(CSc2nncc3ccccc23)nc2ccccn12 12600347 ISYFAJIQYMVNDD-UHFFFAOYSA-N 371.263 4.332 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cnc2c(cnn2C(C)C)c1 12615215 QZTWIHURRALSID-UHFFFAOYSA-N 361.405 4.228 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1sc(C(C)C)cc1C(N)=O 27926861 BDMHYWXILCGLPO-UHFFFAOYSA-N 367.858 4.276 0 40 FIAB Cc1cccc(NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 27355232 KEFPEJCSYXVYDK-HXUWFJFHSA-N 360.461 4.439 0 40 FIAB O=C(c1cc2ccc(Br)cc2[nH]1)N(Cc1ccco1)C1CC1 44778702 KRSFWYYESJTABA-UHFFFAOYSA-N 359.223 4.328 0 40 FIAB CN(C(=O)c1cc2c(F)cccc2s1)C1CCN(c2ccccn2)CC1 58171015 MNGOBVJKVQNQHQ-UHFFFAOYSA-N 369.465 4.176 0 40 FIAB COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1OC(=O)C1CC1 3329504 XXWVPCKVNVQGRA-OVCLIPMQSA-N 369.804 4.157 0 40 FIAB COc1ccc(OC)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1 2245188 RZFFLKNDGJRASE-UHFFFAOYSA-N 358.401 4.453 0 40 FIAB COc1ccc(-c2c/c(=N\[C@H](C(=O)O)C(C)C)c3ccccc3o2)cc1 3372721 DPHFPKJORWVMRC-RWVGPTSPSA-N 351.402 4.118 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 10888813 XLQAHZJHUQXUQR-LZLYRXPVSA-N 357.523 4.356 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)Nc3cccc4cccnc34)o2)cc1 12984102 YZRBZOOJYSMLLU-UHFFFAOYSA-N 358.401 4.165 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c(C)c1 64334958 XKUWUVLRNPSSPD-GFCCVEGCSA-N 358.492 4.486 0 40 FIAB O=C1CCCC[C@H]1Sc1nnc(Cc2ccccc2)n1Cc1ccco1 14199834 GBPCQMJNBUQARO-GOSISDBHSA-N 367.474 4.114 0 40 FIAB Cc1cc(Oc2ccc3cc(Br)ccc3c2)n2ncnc2n1 14247363 KULJYEKDQSBWGF-UHFFFAOYSA-N 355.195 4.141 0 40 FIAB Cc1nc(Sc2nnnn2C2CC2)c2c(-c3cccs3)csc2n1 15141816 CKJXWYBQZSVBJX-UHFFFAOYSA-N 372.504 4.201 0 40 FIAB NC(=O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 15578834 KAGGYDUNEJWIPK-UHFFFAOYSA-N 374.318 4.317 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 7307144 CEFYHYVZCMRSJT-NRFANRHFSA-N 367.470 4.072 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCCC2)o1 15860188 FVDONFNAYZSDOO-FQEVSTJZSA-N 370.493 4.332 0 40 FIAB Cc1ccnc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c1 7735013 QZRMNXMLALJPQQ-IBGZPJMESA-N 367.493 4.081 0 40 FIAB O=C(CSc1ccccc1Br)c1ccc2c(c1)OCO2 16360525 XMEJRCJWBRYQBP-UHFFFAOYSA-N 351.221 4.153 0 40 FIAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C(C)C)ccc1OC(F)F 71282786 QPRBVYZWUFJDBY-LLVKDONJSA-N 351.353 4.198 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20112187 QKTVKDFLIYOVQS-MRXNPFEDSA-N 368.477 4.354 0 40 FIAB CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 408729038 AGWMNBYBOJERSK-ATVHPVEESA-N 369.804 4.251 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N=C2CC(C)(C)CC(O)=C21 96775068 NWBUNWFQCQGDBQ-LLVKDONJSA-N 360.841 4.207 0 40 FIAB Cc1ccc(-c2nc(CN3CCN(Cc4cccs4)CC3)cs2)o1 96765400 FVMSKYRSONJMCD-UHFFFAOYSA-N 359.520 4.091 0 40 FIAB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccccc1Br 408530799 RNDWPWHOKBEZJM-UHFFFAOYSA-N 355.191 4.125 0 40 FIAB C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)c1nc2ccccc2c(=O)[nH]1 97001886 XOCHDDDORDXGLI-VXGBXAGGSA-N 361.367 4.354 0 40 FIAB CC1(C)COC(C(C)(C)COC(=O)c2scnc2C2CCCC2)OC1 95940372 STIKWRYMRRVYQK-UHFFFAOYSA-N 367.511 4.383 0 40 FIAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 28284919 RBIMQSNCEOQVIR-INIZCTEOSA-N 363.244 4.354 0 40 FIAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1c(F)cccc1Cl 30851374 QMMXMHBPHPQBMF-UHFFFAOYSA-N 362.253 4.094 0 40 FIAB COc1ccccc1C[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O 35142350 NPXHGRUUFQWZFW-GFCCVEGCSA-N 364.228 4.124 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2cc(C)cc(C)c2C)c1 218966362 HGTRZRDXPQJKDF-UHFFFAOYSA-N 361.825 4.069 0 40 FIAB O=C(c1cccc(OCc2ccccc2)c1)n1cc(CO)c2ccccc21 216941328 NFHOLGQXPIMISV-UHFFFAOYSA-N 357.409 4.401 0 40 FIAB Cc1cc(OCC(=O)N(C)Cc2ccccc2)cc(C)c1Br 218831590 FQVKYZUNXUGBND-UHFFFAOYSA-N 362.267 4.103 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccc(F)c(F)c1 32760741 HADIACHCRKVQPA-NSHDSACASA-N 370.346 4.025 0 40 FIAB COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2ccc(F)cc2)cc1 35325466 CTZXMBQSLRUNDU-HNNXBMFYSA-N 354.406 4.432 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2CC)cc1 219294395 LLQOXSRPMDTPON-QGZVFWFLSA-N 355.478 4.164 0 40 FIAB Fc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)c(F)c1 43277835 BXVSDZIBSBFZCX-UHFFFAOYSA-N 359.395 4.393 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225821548 JGPGWABKBYGBNV-JLTOFOAXSA-N 365.470 4.184 0 40 FIAB COc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 225904727 XROCPUNIFKMKOC-KRWDZBQOSA-N 372.896 4.224 0 40 FIAB CCOc1ncccc1-c1noc(Cc2nc(-c3ccccc3)oc2C)n1 569895498 QGHRNNYFQRFZHP-UHFFFAOYSA-N 362.389 4.085 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225832402 XLUBXBKEWARVHG-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225845891 SLOYUIIBBXLCGX-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1 225397364 QNZIVWMJNGKCDA-QGZVFWFLSA-N 353.462 4.091 0 40 FIAB Cc1ccc(CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c(C)c1 222618025 TVVPGKJFYSTJGQ-UHFFFAOYSA-N 369.852 4.208 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(CCOc3ccc(Cl)cc3)s2)cc1 95116492 YBMWLKFLGLRTPB-UHFFFAOYSA-N 373.865 4.374 0 40 FIAB CC(C)[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 91033655 BNBHTMJFCQJHGX-MJGOQNOKSA-N 371.868 4.153 0 40 FIAB Cc1nc(-c2cccc(CNc3cc(C(C)C)nc4ncnn34)c2)cs1 585139211 YIPWUXJHPQATCY-UHFFFAOYSA-N 364.478 4.292 0 40 FIAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 260707672 AWVCVGPEUFMKJG-AWEZNQCLSA-N 361.559 4.031 0 40 FIAB Cc1cc(N2CCC3(C=Cc4ccccc4O3)CC2)nc(-c2ccncc2)n1 664623512 AQPWUOPXKXJAPP-UHFFFAOYSA-N 370.456 4.292 0 40 FIAB CNc1nnc(CC(=O)N[C@H](c2ccccc2C)C2CCC(C)CC2)s1 680580076 ORFWLCXVVPXTNR-XBMPDCEQSA-N 372.538 4.115 0 40 FIAB CN1CC[C@H]2CC(=O)Nc3cc(-c4ccccc4)ccc3OCC[C@H]2C1 1534646461 MAQDLMBVWWXSHB-OALUTQOASA-N 350.462 4.033 0 40 FIAB Cc1ccc2c(CC(=O)OCC(=O)Nc3ccc(F)cc3F)coc2c1C 5301770 OFYGNMGZNDBQIB-UHFFFAOYSA-N 373.355 4.052 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccccc3)n2)c1 5632186 LDBCLDSUEMIHGZ-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 12815983 JONRNQBHPZDYJB-UHFFFAOYSA-N 353.349 4.190 0 40 FIAB CN(Cc1cccc(F)c1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 12918042 FLWFLVSMCULURD-JOCHJYFZSA-N 365.448 4.364 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=S)Nc3ccccc3Cl)CC2)c1 13610628 FYGIIWKSCWJZQB-UHFFFAOYSA-N 359.926 4.476 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)c1 14257653 MIRZXZOXVYCCBL-UHFFFAOYSA-N 355.488 4.348 0 40 FIAB COc1ccccc1CN1CCC(c2nnc(-c3sccc3C)o2)CC1 19238732 BEJRDBXPPPFQIR-UHFFFAOYSA-N 369.490 4.495 0 40 FIAB CC(C)[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCCO2 5407867 QVJMKEQWBFQEQQ-RUCTVCJSSA-N 351.446 4.375 0 40 FIAB Cc1noc2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc(C(F)F)c12 19564380 GXJYKVQXFSYAAX-CQSZACIVSA-N 358.392 4.243 0 40 FIAB CCC(C)(C)C(=O)N1CCC(CN(C)c2cc(C(F)(F)F)ccn2)CC1 1888843892 USESJNMWPSLTGS-UHFFFAOYSA-N 371.447 4.211 0 40 FIAB COc1cc(-c2n[nH]c(=S)n2[C@@H](C)c2ccccc2)cc(OC)c1OC 13151251 IWGXJYYWUBCNBP-LBPRGKRZSA-N 371.462 4.243 0 40 FIAB Cc1nc2sc([C@H](c3ccccc3F)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 22626461 RIHOTIFYOPJEQY-HSMVNMDESA-N 374.485 4.011 0 40 FIAB COc1cccc(NC(=O)NC[C@H](c2ccsc2)N2CCCCCC2)c1 22767040 QDUUVFCGIHTNSJ-LJQANCHMSA-N 373.522 4.496 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976934 FCOQMAYWYTWBFR-KXBFYZLASA-N 367.470 4.032 0 40 FIAB O=C(c1cc(=O)c2ccccc2o1)N1CCS[C@H](c2cccs2)CC1 219495374 LRPKTBHMQDTXSS-SFHVURJKSA-N 371.483 4.175 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)/C=C/c2cccs2)c2cccs2)n1 575611069 UJJHWWOCYXBFCS-KXPUMZMLSA-N 357.504 4.042 0 40 FIAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 993663 JVRWBOHEQSJRDA-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB COc1cc(OC)c(NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1Cl 683087 GLZMFPLYSYFLKU-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(C)c1 997250 VSGDSEAIACYBRG-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=S)N1c1ccc(Cl)cc1 2963328 JKQJMBAFRCQFQD-KBXCAEBGSA-N 360.866 4.283 0 40 FIAB Cc1ccc(Oc2cccc(N3C(=O)c4ccc(N)cc4C3=O)c2)cc1C 3039537 IEAPRXIDPMRHBP-UHFFFAOYSA-N 358.397 4.479 0 40 FIAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 3317639 MMSONAUDXXIJPX-NSHDSACASA-N 366.339 4.070 0 40 FIAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc2c(s1)CCCCC2 3337305 YKVJLAHPJRZJTK-UHFFFAOYSA-N 369.486 4.153 0 40 FIAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 3537757 ZEKQOMSQOURZLR-UHFFFAOYSA-N 351.402 4.094 0 40 FIAB CC(C)Sc1nnc(NC(=O)c2ccccc2Br)s1 4086595 SLOZQHQZBZJJCK-UHFFFAOYSA-N 358.286 4.053 0 40 FIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc(Cl)cc1 4195126 NFZGAICDILYENF-MJGOQNOKSA-N 355.869 4.488 0 40 FIAB CCC1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1Cl)C2=O 4308127 HWCDQQDWKMPDMY-UHFFFAOYSA-N 355.265 4.384 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1snnc1C 4785348 LBRDCBWMHCTAKY-UHFFFAOYSA-N 373.459 4.004 0 40 FIAB O=C(C1CC1)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21 4968478 AFWHTMMJBNWRGH-UHFFFAOYSA-N 353.491 4.464 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cc1 5634877 HRYDRJAQCMIXND-UHFFFAOYSA-N 370.456 4.227 0 40 FIAB Cc1cc(OCC(=O)NCCOc2cccc3ccccc23)ccc1Cl 5749966 XEPXNVUAUASZGF-UHFFFAOYSA-N 369.848 4.376 0 40 FIAB CCOc1cc(C(=O)Nc2cccc3ncccc23)ccc1OC(F)F 5938656 DTXNNDXZWFOGMM-UHFFFAOYSA-N 358.344 4.487 0 40 FIAB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1 6307908 HAWMZGNXQXONAC-GDNBJRDFSA-N 371.795 4.356 0 40 FIAB Cc1c(C(=O)Nc2ccccc2)cnc2nc(-c3ccc(Cl)cc3)nn12 6764345 KFFMMFFXGIUZBP-UHFFFAOYSA-N 363.808 4.005 0 40 FIAB Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c(Br)c1 6964468 QGHIGUAVSKBFJV-UHFFFAOYSA-N 365.252 4.295 0 40 FIAB CC[C@H](C)c1ccc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 7382562 PIXPCEYDVVEQPM-LBPRGKRZSA-N 354.475 4.471 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2ccccc2cc1OC 7758339 MEBVDBZEZQEIGM-UHFFFAOYSA-N 364.401 4.068 0 40 FIAB Cc1ccc(C)c(C(=O)CCC(=O)OCC(=O)c2cc(C)ccc2C)c1 7814954 BLZOGXIXBURJEC-UHFFFAOYSA-N 352.430 4.309 0 40 FIAB C[C@H](NC(=O)c1csc2c1CCCC2)c1ccc(-n2ccnc2)cc1 8012725 DWLWXYDUEVKNJP-AWEZNQCLSA-N 351.475 4.304 0 40 FIAB O=c1c(Cl)c(NCCc2c[nH]c3ccccc23)cnn1-c1ccccc1 8149106 CUTVWEPDXLKKQT-UHFFFAOYSA-N 364.836 4.022 0 40 FIAB C[C@@H]1Oc2c(C(=O)NCc3ccccc3CN3CCCC3)cccc2[C@H]1C 8389199 RPJZVWPRBTXCKE-IRXDYDNUSA-N 364.489 4.097 0 40 FIAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N[C@@H]1CCc2ccccc21 8753133 XEJRZIZSOOUYBX-GOSISDBHSA-N 352.434 4.295 0 40 FIAB CCc1c(C)[nH]c2c(-c3ccccc3)c(COc3ccccc3)nn2c1=O 8995973 RDUJHDMVQAPQHH-UHFFFAOYSA-N 359.429 4.139 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 10684122 WRPROXPZCPOKJN-MRXNPFEDSA-N 368.477 4.356 0 40 FIAB CCSc1ncc(Br)c(C(=O)Nc2ccc(C)cc2C)n1 11916311 FCHKTNMRURLGEO-UHFFFAOYSA-N 366.284 4.220 0 40 FIAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1cccc(Cl)c1 12794575 UXJSCGISSPOXCR-UHFFFAOYSA-N 361.806 4.295 0 40 FIAB CCOc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12795644 MIZOTTYDNIBEGJ-IBGZPJMESA-N 367.445 4.224 0 40 FIAB CCn1cc(CN(Cc2ccccn2)Cc2ccccc2Cl)c(C)n1 13990838 UNSGCOKTXLJGNM-UHFFFAOYSA-N 354.885 4.462 0 40 FIAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cc(OC)c1OC 14139963 IYLCIRLZNWTDRJ-IENJSVCTSA-N 367.445 4.089 0 40 FIAB C[C@H]1CCc2c(sc3ncn4nc(-c5cc(F)ccc5F)nc4c23)C1 15107770 FJWBKAWVGRKLMU-VIFPVBQESA-N 356.401 4.409 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 16608950 MVTUQUDYXZAYQX-XAMWDVODSA-N 356.510 4.304 0 40 FIAB CCc1ccccc1NC(=O)CNC(=O)c1cc2c(s1)CC[C@@H](CC)C2 17864466 JCJAWAVGWCYZGM-CQSZACIVSA-N 370.518 4.194 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 18230911 QLGLPPMXJXDFAE-UHFFFAOYSA-N 371.440 4.436 0 40 FIAB c1cncc(-c2nnc(C3CCN(Cc4ccnc5ccccc45)CC3)o2)c1 19376071 YBPLTLWAJFYHSR-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)C[C@H](C)O3)c(OC)c1 19497933 FLWLIZFFOYEUMO-LIRRHRJNSA-N 367.445 4.005 0 40 FIAB C[C@H]1Cc2cc(CCC(=O)N(Cc3ccccn3)C3CCCC3)ccc2O1 19498108 SUMRKRWWRAZDPA-KRWDZBQOSA-N 364.489 4.309 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(SC)cc1 20029991 IOCXBDNNLFFUPR-LLVKDONJSA-N 371.911 4.110 0 40 FIAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1cc2ccccc2o1 20611338 VYOREIJOBJXUJK-UHFFFAOYSA-N 350.403 4.096 0 40 FIAB COc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)N(C)C)c1 22057051 RNEYHXNPKZCUAL-UHFFFAOYSA-N 353.249 4.376 0 40 FIAB in-vitro C[C@H]1COC[C@H](C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1 22258471 FCCUEEWNNQMJLN-GJZGRUSLSA-N 359.853 4.168 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)c(Cl)c1 22523471 KOMWFMOKSFEQHJ-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)NC1CCCCC1 22811264 VCXNBSVMOFQCGI-UHFFFAOYSA-N 369.431 4.166 0 40 FIAB Cc1ccc(OC(F)F)c(C(=O)CSc2ccc3c(c2)OCCO3)c1 22988090 ATEBWEQCLRHQBO-UHFFFAOYSA-N 366.385 4.343 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 24225314 FLBNITZIESIMQS-UHFFFAOYSA-N 359.369 4.257 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)c1cccnc1OCC(F)(F)F 24748871 TWCXPJOSLSFRJT-UHFFFAOYSA-N 371.384 4.000 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccccc2C(F)(F)F)c1C 24863001 SMBRZIKOLFRIOD-UHFFFAOYSA-N 364.367 4.033 0 40 FIAB Fc1ccc([C@@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CCO2)cc1 29538919 WTOUCRGMHZMBED-KRWDZBQOSA-N 373.815 4.103 0 40 FIAB CCOc1ccc2nc(SCc3noc(-c4ccsc4)n3)[nH]c2c1 30698328 RMONAMZIJUFHBB-UHFFFAOYSA-N 358.448 4.365 0 40 FIAB COc1ccc(CN(C)c2cc(C)nc3ccccc23)c(OC)c1OC 32902976 KYBNYCQGZIIMKI-UHFFFAOYSA-N 352.434 4.205 0 40 FIAB CC(=O)c1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1 33145089 GQCFQWUBSPINPU-UHFFFAOYSA-N 350.443 4.118 0 40 FIAB CCc1ccc(NC(=O)CSCc2nc(-c3cccs3)no2)cc1 36393956 XRMPZEMDBRAXLH-UHFFFAOYSA-N 359.476 4.232 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CN[C@H](c2ccccc2)c2cccs2)c1C 37190259 JHBPRCBSOALQKL-OAQYLSRUSA-N 366.486 4.458 0 40 FIAB COc1ccc2ccccc2c1CNCc1ccccc1Cn1ccnc1 40091399 MEOZCKUBACRDNB-UHFFFAOYSA-N 357.457 4.383 0 40 FIAB CC(C)OCc1ccc(CNC(=O)CCc2nc3ccccc3s2)cc1 40122265 PCINIHOJKWPMEG-UHFFFAOYSA-N 368.502 4.470 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 40946011 FCPOQRPQSIMRLX-HNNXBMFYSA-N 371.433 4.058 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCCC2)nc1 43735099 JILYCBSVZNECMY-CQSZACIVSA-N 359.857 4.131 0 40 FIAB CCOc1ccccc1NC(=O)CNC(c1ccccc1)c1ccccc1 57364138 WZBAVNIRWDPDOD-UHFFFAOYSA-N 360.457 4.403 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc([S@](C)=O)cc2)cc1 58114462 PHJYNNLDYYLXFL-RXFWQSSRSA-N 371.502 4.190 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(O)c(OCc2ccccc2)cn1 61718682 QAFCZQRQOGVKNZ-UHFFFAOYSA-N 359.385 4.100 0 40 FIAB O=C(CCC1CCCC1)NC1(c2nc(-c3cccnc3)no2)CCCCC1 65257802 YNGCZKJFXKJNFU-UHFFFAOYSA-N 368.481 4.378 0 40 FIAB Clc1cccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)c1 71890014 QKJRSVJYDAVRQI-UHFFFAOYSA-N 370.836 4.399 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353852 YIRWGIRYESTJPX-OAQYLSRUSA-N 371.484 4.396 0 40 FIAB OCc1ccc(-c2cncc([C@H]3CCCN(Cc4ccccc4)C3)n2)cc1 72359266 QYHIDQLPBZTWFQ-NRFANRHFSA-N 359.473 4.016 0 40 FIAB COc1cccc(Cc2cc(C)nc(C3CCN(c4ncccn4)CC3)c2)c1 72374082 JKCNHFYLGQTWEZ-UHFFFAOYSA-N 374.488 4.163 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1cccs1 75155995 WUQWAHIHWAWITG-IBGZPJMESA-N 351.471 4.120 0 40 FIAB O=C(c1ccc(NCc2ncc(-c3cccc(F)c3)o2)cc1)N1CCCC1 83115664 OLRCXUZSBLZXGZ-UHFFFAOYSA-N 365.408 4.329 0 40 FIAB O=C(OC1CCCC1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 95348957 LKVASVQTMNEYGC-UHFFFAOYSA-N 369.804 4.240 0 40 FIAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccccc1C(F)(F)F 96097243 VBXBQBVVPHVTHU-OAHLLOKOSA-N 363.335 4.305 0 40 FIAB O=C(NCc1ccco1)Nc1c(NC2CCCC2)c2ccccc2oc1=O 96315533 QGCRAMMEBLNCFO-UHFFFAOYSA-N 367.405 4.062 0 40 FIAB O=S(=O)(c1cccc(NCc2ccc(Cl)s2)c1)N1CCCCC1 97057782 HBAVZPPVWUOAKU-UHFFFAOYSA-N 370.927 4.188 0 40 FIAB CCOc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100970598 HAQROZQZMXLFIK-GOSISDBHSA-N 352.825 4.386 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1 101276728 ATAABXHAEPSLEA-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB C/N=c1/scc(-c2ccccc2)n1CCc1c[nH]c2ccc(OC)cc12 101379467 PQILOPVDBGYEJC-QURGRASLSA-N 363.486 4.480 0 40 FIAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 107121655 UCBLVICHVKEGRD-UHFFFAOYSA-N 359.853 4.344 0 40 FIAB Cc1nn(C)c(C)c1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206999309 WGZARGSKWFYYLO-INIZCTEOSA-N 363.914 4.011 0 40 FIAB CC(C)Oc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222579537 FWANPHAVPSLNOD-GDIGMMSISA-N 353.491 4.458 0 40 FIAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(F)ccc1F 222967057 QYWZHKYNGUJRCO-SECBINFHSA-N 352.178 4.319 0 40 FIAB COc1ccc(OCCCC(=O)NCCOc2ccccc2C(C)C)cc1 223776617 NBWFNWUEJVWOPH-UHFFFAOYSA-N 371.477 4.173 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Oc2nccs2)cc1 225636780 GGMDXXGEGRHZQN-UHFFFAOYSA-N 363.442 4.389 0 40 FIAB O=C(NCc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccccc2)C1 225901095 PYYHKULNJCTIMC-JOCHJYFZSA-N 358.485 4.368 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1 408621977 OCVARXDXBKFIKH-UHFFFAOYSA-N 370.346 4.350 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 409134162 NLCCKGZTHHUORQ-VAWYXSNFSA-N 356.853 4.378 0 40 FIAB CCN1C(=O)S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C1=O 409379914 CAWJNRWSFYWBOP-JYOAFUTRSA-N 370.213 4.156 0 40 FIAB C[C@H](NC(=O)NCCc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1 509856047 SIWQWMDYUBBIDJ-HNNXBMFYSA-N 368.868 4.129 0 40 FIAB CC[C@H](C)N(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 575421021 MAFLQVRDBZMBBE-FXAWDEMLSA-N 357.519 4.064 0 40 FIAB O=C(NC[C@]1(O)CCCc2occc21)C1(c2ccc(Cl)cc2)CCCC1 1565522949 CRNIDKCKHUWWOD-OAQYLSRUSA-N 373.880 4.085 0 40 FIAB O=C(Nc1ccccc1F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 628493 BVGKXEZJYQCSHO-UHFFFAOYSA-N 368.239 4.487 0 40 FIAB Cc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 925459 PFRLRRVMFNNGAD-UHFFFAOYSA-N 350.403 4.387 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)Nc1nc2cc(Cl)ccc2o1 1076401 GSRKZTPYYHATBL-UHFFFAOYSA-N 357.218 4.077 0 40 FIAB O=C(O[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)c1cccs1 1381246 QPJPNCVHSCOGAG-KRWDZBQOSA-N 361.438 4.234 0 40 FIAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(C(F)(F)F)cc1 1506514 NBUIPKUXPQARLF-KQWNVCNZSA-N 366.726 4.436 0 40 FIAB C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N21 2140157 ALBUDBJWMWNMKJ-GTNSWQLSSA-N 365.820 4.276 0 40 FIAB biogenic Nn1c(SCc2cccc3ccccc23)nnc1-c1ccc(F)cc1 2335927 OLXJLOLHAJTZDN-UHFFFAOYSA-N 350.422 4.244 0 40 FIAB CCCCn1c(N)c(C(=O)OC[C@@H](C)CC)c2nc3ccccc3nc21 2399153 TUJQZFYKIBIYHC-ZDUSSCGKSA-N 354.454 4.170 0 40 FIAB O=C(O)/C(=C/c1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 2597502 FBUHOWSVDCXNCN-QNGOZBTKSA-N 373.408 4.121 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)Cc3ccco3)cc12 3244445 ZQBGDUXDLMNNTM-ZDUSSCGKSA-N 365.458 4.349 0 40 FIAB Cc1nccc(N2CCOCC2)c1Oc1ncc(C(F)(F)F)cc1Cl 4040641 LOUHYUCHMGWDFU-UHFFFAOYSA-N 373.762 4.086 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1OC 4479342 BWVBNHWGFFLYNR-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB COc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 4702912 UEWYLHNVRUMYQK-PKNBQFBNSA-N 365.473 4.198 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099256 FRKSMJYTEYLPQU-UHFFFAOYSA-N 368.864 4.210 0 40 FIAB COc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 5100875 AGRXNDUESFJUFH-UHFFFAOYSA-N 368.506 4.257 0 40 FIAB COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1N1CCCCC1=O 5441930 XDEFAUZLKQBCBI-UHFFFAOYSA-N 352.434 4.081 0 40 FIAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F 6314875 GAEAKEFFKPKPDU-CYBMUJFWSA-N 357.397 4.005 0 40 FIAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1cccc(F)c1 6350802 DBEAVENOADPWOC-UHFFFAOYSA-N 365.360 4.414 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1 6388050 BPFJQUOPWZKYHT-UHFFFAOYSA-N 350.443 4.235 0 40 FIAB Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br 6571271 ZGEQLIWUAZPAQB-RUDMXATFSA-N 351.631 4.458 0 40 FIAB Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)ccc1Br 7056261 TYDOCIGTURQMPP-MDZDMXLPSA-N 352.253 4.170 0 40 FIAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC1CCCC1 8393664 LJWNQGFTTPZROV-SNVBAGLBSA-N 369.412 4.188 0 40 FIAB Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)no1 8723599 MZXRMYFGCUJTFB-UHFFFAOYSA-N 350.403 4.150 0 40 FIAB COc1ccc(Nc2nc(Nc3cccc(C)c3)nc3nccnc23)cc1 9074452 KZCQBQOTKPMZLE-UHFFFAOYSA-N 358.405 4.224 0 40 FIAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)c1 9226159 RFNSMVYWMWYZHY-UHFFFAOYSA-N 350.443 4.239 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(F)ccc1Br 9364526 QYLDEMLTIQLQNA-UHFFFAOYSA-N 366.186 4.002 0 40 FIAB C[C@@H]1Oc2c(C(=O)N(C)Cc3nc4ccccc4s3)cccc2[C@@H]1C 9762574 BODGSPRQWHKXBD-OLZOCXBDSA-N 352.459 4.453 0 40 FIAB Cc1ccccc1-n1nnnc1SCc1nc(-c2cccs2)oc1C 11608964 IJPDVGTYXVGLRC-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB Cc1nn([C@@H](C)CC(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)c1C 12148245 CLTZLUQOHRSHHK-OYHNWAKOSA-N 362.477 4.060 0 40 FIAB Cc1c(C(=O)NCc2nc(-c3ccccc3)no2)[nH]c2c(Cl)cccc12 12202716 VZSSCMGZLXFBGZ-UHFFFAOYSA-N 366.808 4.110 0 40 FIAB COc1ccc(NC(=O)[C@@H](Sc2nc3ccccc3[nH]2)C(C)C)cc1 12525154 FZPXCGSIYWVOSV-KRWDZBQOSA-N 355.463 4.327 0 40 FIAB O=C(NCc1ccc(Cn2ccnc2)cc1)Nc1cccc2ccccc12 12603834 UJIHFEBMKDZERC-UHFFFAOYSA-N 356.429 4.406 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)nc2ccccc12 12789867 ZZQNGHIZBASASH-UHFFFAOYSA-N 360.413 4.113 0 40 FIAB O=C(O)c1cccc2c1CCCN2C(=O)Cc1c(Cl)cccc1Cl 12794331 QWSIWWPSIZPINZ-UHFFFAOYSA-N 364.228 4.214 0 40 FIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1F 12819750 PRGKDPDSSXMHOF-CYBMUJFWSA-N 364.848 4.255 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)Nc1cc(Cl)ccc1Cl 12997637 SSRDIKRZOSUVGD-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB COc1cc(/C=C/C(=O)Nc2nccs2)cc(Cl)c1OCC(C)C 13041452 WRXYMDGUDQGVGY-SNAWJCMRSA-N 366.870 4.492 0 40 FIAB O=c1oc2ccc(Cl)cc2n1C1CCN(Cc2ccc(F)cc2)CC1 13266038 SUJSXYZQEAWTOG-UHFFFAOYSA-N 360.816 4.224 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710350 ZCRNUZDASMJXQX-SFHVURJKSA-N 357.519 4.429 0 40 FIAB CCCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C(C)C 13731737 DYCPCQMVOHDYOM-UHFFFAOYSA-N 362.495 4.257 0 40 FIAB CC(C)c1ccc(NC(=O)c2ccc(CSc3ncn[nH]3)cc2)cc1 14094483 BKFSFPYREMQMEZ-UHFFFAOYSA-N 352.463 4.473 0 40 FIAB CCNC(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 14226752 PHGFRRIWKRKCAY-UHFFFAOYSA-N 362.882 4.211 0 40 FIAB CCOC(=O)c1cnc2cc(C(F)(F)F)cc(C(F)(F)F)c2c1O 16125410 JQOVUCWBEJXIOS-UHFFFAOYSA-N 353.218 4.155 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(C)c1Br 16780033 QLXQQUTUQHYYGF-YGRLFVJLSA-N 374.344 4.231 0 40 FIAB O=C(c1ccc(F)cc1)c1cn(CCN2CCCC2)c2c(Cl)nccc12 19332293 SIPKNOURJIPCDE-UHFFFAOYSA-N 371.843 4.156 0 40 FIAB C[C@H](NC(=O)Cc1ccc2[nH]cnc2c1)c1cc2cc(Cl)ccc2o1 19458575 PGOUYWRYNXZZAX-NSHDSACASA-N 353.809 4.382 0 40 FIAB COC(=O)[C@H](OC(=O)c1ccc(-c2cccs2)nc1C)c1ccccc1 21839586 BKSDASLWAZELRI-GOSISDBHSA-N 367.426 4.190 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(F)cc2)c2ccccc2)cc1 22530722 QATXKPJRNNKMKZ-OAQYLSRUSA-N 369.461 4.343 0 40 FIAB Cc1cccc(CNC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 23041713 IZSLBMWGBPOTKX-UHFFFAOYSA-N 364.445 4.038 0 40 FIAB COc1ccc([C@H]2CCCN2Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 23843958 HRDCWXLVCIDDAO-GOSISDBHSA-N 370.522 4.430 0 40 FIAB CCc1ccccc1Nc1nc(N)nc(CN(C)[C@@H](C)c2cccs2)n1 27554760 REABZQSJYKQDSJ-ZDUSSCGKSA-N 368.510 4.014 0 40 FIAB Cc1cc(OCC(=O)NCc2ccccc2C(F)(F)F)ccc1Cl 27983351 WPVGWMKNZWKAGX-UHFFFAOYSA-N 357.759 4.362 0 40 FIAB CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)c(Cl)c1 32611605 OKQNZLAZJAJXHM-UHFFFAOYSA-N 363.042 4.225 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1Cl 32763294 BZANGZFZOMLLAJ-HNNXBMFYSA-N 352.862 4.108 0 40 FIAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCC(OCc2ccccc2)CC1 32851174 OKHLAANWNANPOP-KRWDZBQOSA-N 362.473 4.420 0 40 FIAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccc(Nc2ccccc2)cc1 32904336 KNFVIJDERGKWFP-HXUWFJFHSA-N 373.412 4.159 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)n1 33331627 NASMJDWHHKFDNW-HNNXBMFYSA-N 365.433 4.116 0 40 FIAB C[C@H](C(=O)NCCCCOc1ccc(Cl)cc1)n1cnc2ccccc21 36398216 OCDCZHQQMVFGEK-OAHLLOKOSA-N 371.868 4.226 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 38755537 MTAJPLWQQCZFCN-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl 40090598 KAZQRXLEQPHPDU-UHFFFAOYSA-N 360.841 4.083 0 40 FIAB O=C(NCCSC1CCCC1)Nc1ccc(NC(=O)c2ccco2)cc1 40104447 FMHQTKMFURDJSW-UHFFFAOYSA-N 373.478 4.329 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478427 RWUQJEPDQFAOIO-UHFFFAOYSA-N 364.836 4.184 0 40 FIAB COc1cccc(C(=O)N[C@H](C)c2ccc(F)cc2F)c1OC(F)F 42671521 LCQOZASUFKKOEW-SECBINFHSA-N 357.303 4.066 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2)no1 43996546 XJDAHLXSBRDPTP-LBPRGKRZSA-N 373.865 4.187 0 40 FIAB COC(=O)c1cccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44838078 RKMARXRDQZUFFQ-UHFFFAOYSA-N 371.396 4.269 0 40 FIAB Cc1ccsc1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44892893 KTTYEITXBOAONT-MRXNPFEDSA-N 356.476 4.370 0 40 FIAB CC[C@H](NC(=O)NC1CCN(CC(C)C)CC1)c1ccc(Cl)cc1 45404687 IABBSCNFKQSVJB-SFHVURJKSA-N 351.922 4.211 0 40 FIAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 48374731 OOQCHNFDWYBCQO-JTQLQIEISA-N 367.232 4.358 0 40 FIAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)Nc1cccc2ccccc12 58244620 YQSBMLQCUQRJRJ-LJQANCHMSA-N 374.362 4.411 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 59488460 WDNJCPBEJFWWPX-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB CCc1ccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)cc1 64936485 IMYHFTFKKFOSFD-UHFFFAOYSA-N 358.507 4.185 0 40 FIAB O=C1C[C@H](C(F)(F)F)c2sc(C(=O)O)c(-c3cccc(F)c3)c2N1 66089628 XSJJXJMODYQWRP-QMMMGPOBSA-N 359.300 4.241 0 40 FIAB Cc1noc(C)c1CNC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 67927408 AHTGDNNZDFXOFK-UHFFFAOYSA-N 364.449 4.080 0 40 FIAB COC(=O)c1cccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761647 MRGYXYWCRFOOIG-UHFFFAOYSA-N 370.352 4.181 0 40 FIAB Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 72376888 XJNWXLFEKYNWLE-FQEVSTJZSA-N 372.472 4.022 0 40 FIAB CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCC(=O)c1ccc(C)s1 95457867 ALFFADDILFGQSS-BFUOFWGJSA-N 363.454 4.051 0 40 FIAB O=C(Nc1cccc(Br)c1)N1CCC(Cc2cccnc2)CC1 95458178 RDZHOZRJDHEJAG-UHFFFAOYSA-N 374.282 4.331 0 40 FIAB CC[C@H](C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1 96121651 BLKJVNOSMBRVBI-FQEVSTJZSA-N 374.488 4.133 0 40 FIAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(Br)cc1F 96171141 GAZGUTAFOKFTPJ-LLVKDONJSA-N 366.296 4.083 0 40 FIAB Cc1cccc(C2=C[C@H](c3ccc(Br)cc3)n3ncnc3N2)c1 101352747 WFHMOANIOJIBMY-QGZVFWFLSA-N 367.250 4.405 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 103059444 JQTHEVSJBRFWGI-BPAMBQHCSA-N 360.523 4.067 0 40 FIAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(C)c(C)c1 222645801 VTKSMPTUVJTWOA-LJQANCHMSA-N 353.462 4.275 0 40 FIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3)N21 222648098 HNAMTAANIYPADF-KFKAGJAMSA-N 353.491 4.378 0 40 FIAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223484163 NRVUHBHQWDJYBP-HXUWFJFHSA-N 370.468 4.078 0 40 FIAB COc1ccc(OCc2cc(C(=O)N3CCC(C)CC3)ccc2OC)cc1 224268980 KSLBAMHMJMDMOX-UHFFFAOYSA-N 369.461 4.155 0 40 FIAB CCCCOc1ncc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225872122 FLUQMTKBOTXYKA-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nc(O)c2c(C)csc2n1 408596919 VYSJGQFMWISDOZ-UHFFFAOYSA-N 373.503 4.307 0 40 FIAB CCCc1noc2nc(CC)cc(C(=O)N(C)C3CC(OC(C)(C)C)C3)c12 622728141 SBHZYUDXCLGIBR-UHFFFAOYSA-N 373.497 4.156 0 40 FIAB C[C@H](NC(=O)N1C[C@H](C)[C@](C)(CO)C1)c1ccc(-c2ccc(F)cc2)cc1 664568135 GRSOTBSBUZLILL-WCJKSRRJSA-N 370.468 4.214 0 40 FIAB C[C@@H](C1CC1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 722982830 OYBQZMFDYOVZDB-RNODOKPDSA-N 365.429 4.024 0 40 FIAB CCCN(CC1CC1)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1 1621600101 KJZXVFJBLCYGGC-UHFFFAOYSA-N 365.539 4.456 0 40 FIAB C[C@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 1651747018 ARBOBBHPYGHZDD-LBPRGKRZSA-N 355.825 4.158 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(C3CCCCC3)nc21 2420336 QEFAJHIDZPJUJU-UHFFFAOYSA-N 366.856 4.473 0 40 FIAB CCOc1ccc(NC(=O)CN(C)[C@H](C)c2cc3ccccc3o2)cc1 36717663 MTQMKPRTWLLYEP-OAHLLOKOSA-N 352.434 4.463 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)O)cc1 941813 NLFJHIAMGGFFCF-UHFFFAOYSA-N 356.765 4.254 0 40 FIAB CC(=O)O[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 1701275 AHLVYOADQOSJBO-IFMALSPDSA-N 351.446 4.028 0 40 FIAB COC(=O)c1ccc(CNC(=O)CCc2cccc(Cl)c2Cl)cc1 31728922 WHDRZEOMXLCALD-UHFFFAOYSA-N 366.244 4.029 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)[nH]c2c1 4274001 RKTPFZRZXXYKNG-NEPJUHHUSA-N 373.453 4.069 0 40 FIAB Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C 4848614 DZVKSBHFEHSULL-UHFFFAOYSA-N 351.425 4.141 0 40 FIAB CSc1cccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)c1 4921166 VMHWOOHTDZPJNT-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1cccc([N+](=O)[O-])c1 6962042 SIKNMKDULDYTEI-YBFXNURJSA-N 359.385 4.495 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 7495399 RYOJETDRWAWPLF-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7929103 LGHMCGRAAJHOLF-GOSISDBHSA-N 359.425 4.415 0 40 FIAB O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc(O)nc1 11708123 LAQNTZVAJPUONL-UHFFFAOYSA-N 361.426 4.240 0 40 FIAB Cc1cccc(C)c1OC[C@@H](O)CNc1ncc(C(F)(F)F)cc1Cl 60081757 YUZOBXRVBVSQLO-ZDUSSCGKSA-N 374.790 4.222 0 40 FIAB Cc1ccc2c(CNc3cc4c(cc3Cl)OCCO4)cc(=O)oc2c1C 29690471 NWHXMPJLMQTOFN-UHFFFAOYSA-N 371.820 4.447 0 40 FIAB COc1ccc(-c2nnc(CNc3ccc(Br)cc3)o2)cc1 9737293 BTWDSEFCNRLSFX-UHFFFAOYSA-N 360.211 4.120 0 40 FIAB CC[C@@H]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 2787435 STKFLJDBPDKSMD-LLVKDONJSA-N 350.447 4.227 0 40 FIAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N[C@H](C)C(C)C)c1CC 32910247 QFYKINPUERQJHI-OAHLLOKOSA-N 370.493 4.067 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2c(C)cc3oc(=O)c(C)c(C)c3c2O1 12297047 BSWHRZPRNRAKKZ-QGZVFWFLSA-N 364.397 4.433 0 40 FIAB biogenic COc1ccc(OC)c([C@H](C)NC(=O)CCSc2ccc(C)cc2)c1 24342325 YGCSDEKQBAPTCM-HNNXBMFYSA-N 359.491 4.372 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)N1CCc2[nH]c3ccc(F)cc3c2C1 12389255 CIKYUPVTBKBLPL-UHFFFAOYSA-N 361.420 4.306 0 40 FIAB biogenic Cc1ccc(C2=NN(C(=O)C(C)C)[C@H](c3ccc4nccnc4c3)C2)cc1 12390697 OJHOFGPQNJRARM-NRFANRHFSA-N 358.445 4.272 0 40 FIAB COc1ccc([C@@H](CNc2ncnc3cc(Cl)ccc23)N(C)C)cc1 23200024 QZQSIHUGFLKJOL-GOSISDBHSA-N 356.857 4.007 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Nc2ncccn2)c1 24486559 NEKMGDIMWCVZOC-UHFFFAOYSA-N 358.323 4.491 0 40 FIAB CC(C)(C)[C@@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)c1cccs1 47521852 GOELRBVNFPUGCT-INIZCTEOSA-N 372.494 4.187 0 40 FIAB Cc1cc2c(ncn2C)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C 1385952 ZOYCQBXYKXWTRG-UHFFFAOYSA-N 371.506 4.288 0 40 FIAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1 1447584 YYMGFBJBNRLEOT-UHFFFAOYSA-N 370.456 4.233 0 40 FIAB COc1ccccc1C(=O)Oc1c2c(nn1-c1ccc(F)cc1)CCCC2 20636386 QMLGDIZJULNDLL-UHFFFAOYSA-N 366.392 4.118 0 40 FIAB COc1ccc(NC(=O)c2cccc(Cl)c2)cc1-c1ccc(CO)o1 20138075 RSLGSUYGIVFBCZ-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB COc1cc(C(=O)N[C@H](C)c2cccc3ccccc23)cc2c1OCCO2 17840946 LFOYSQHCRBKFNV-CQSZACIVSA-N 363.413 4.111 0 40 FIAB Cn1nc(-c2cccs2)cc1C(=O)N1CCC(Cc2ccccc2)CC1 35293613 LISISSLVCCLWSR-UHFFFAOYSA-N 365.502 4.244 0 40 FIAB CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 57110742 NAQFKEVTQDHATQ-UHFFFAOYSA-N 354.498 4.169 0 40 FIAB c1ccc(Cn2c(SCCc3ccncc3)nnc2-c2ccco2)cc1 7033696 LORTULPHXUTBFR-UHFFFAOYSA-N 362.458 4.316 0 40 FIAB CSCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12620545 VAEQBGDQLZNRCI-SFHVURJKSA-N 368.502 4.041 0 40 FIAB C[C@H](NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 3348910 FTEBGPHHVXIKPY-SFHVURJKSA-N 373.452 4.317 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3ccc(C)cc3)cs2)cc1 27993614 LNIAGNNNPGHWHS-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB biogenic O=C1O[C@@H](Nc2cc(Br)cc3cccnc23)c2ccccc21 2204663 VLMGGSUCFHYTFW-MRXNPFEDSA-N 355.191 4.278 0 40 FIAB CCn1c(NC(=O)c2ccccc2NC(=O)c2ccco2)nc2ccccc21 10651494 SLGBWQCJCYVYNB-UHFFFAOYSA-N 374.400 4.154 0 40 FIAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C 36396539 DROLCUYBVAGJBM-FUHWJXTLSA-N 354.498 4.081 0 40 FIAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 36354975 STQWWTGHOCPYHY-CQSZACIVSA-N 367.380 4.152 0 40 FIAB CN(C)C(=O)[C@H](N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 48309615 NUBLQVYZLHNSQV-XZOQPEGZSA-N 358.485 4.390 0 40 FIAB COc1cccc(-c2nc(CSCC(=O)NC3CCCC3)cs2)c1 12870237 CNXSDVVHBQZBPB-UHFFFAOYSA-N 362.520 4.111 0 40 FIAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2ccccc2oc1=O 12817787 SKPYBQKADCJROW-UHFFFAOYSA-N 362.212 4.372 0 40 FIAB Cc1ccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)c(Br)c1 3454165 IGFKUYNBVSVJOH-CQSZACIVSA-N 361.283 4.217 0 40 FIAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)c(F)c1 12910528 XXFCKQKZLSGUAQ-GFCCVEGCSA-N 357.356 4.193 0 40 FIAB O=C(CCc1nc2ccccc2s1)N1CCC[C@H]1Cc1ccccc1 13010378 FQCIXRIFPPUWFX-KRWDZBQOSA-N 350.487 4.463 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N(C)C)o1 15860357 OJCHCVSFIKWQPT-KRWDZBQOSA-N 354.450 4.292 0 40 FIAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccc(Br)cc1 3904941 JPIQNXLYUCFYCE-MGPQQGTHSA-N 354.288 4.257 0 40 FIAB COc1ccc(CN(C)[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 7929880 MTPLFJRAJOFQNG-HNNXBMFYSA-N 366.461 4.197 0 40 FIAB CC(C)[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCCO2 8062008 HBEOTQIQHUJLEF-XFYVYHTKSA-N 355.409 4.124 0 40 FIAB CCn1c2c(s/c1=N\C(=O)c1ccccc1F)CCc1ccccc1-2 408562761 SAWFGZKODPZAQZ-XDOYNYLZSA-N 352.434 4.215 0 40 FIAB CNC(=O)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 14344876 CWDCUYIZESELAB-UHFFFAOYSA-N 366.461 4.111 0 40 FIAB Cc1c(Br)ccc(NC(=S)NC(=O)c2ccccc2)c1C 408595406 IPXQKRIHLRAWKG-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 70020377 AWKYSKMROCSMLT-QRVBRYPASA-N 374.843 4.118 0 40 FIAB CC(C)[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 6939740 ZFYWQROJOKSYDZ-VQIMIIECSA-N 359.853 4.036 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 8718539 YASJRLCSDSMXPD-UHFFFAOYSA-N 364.401 4.325 0 40 FIAB Cc1cnc(C(=O)N[C@@H](CC(C)C)c2cccc(C(F)(F)F)c2)cn1 60367484 RLFDATMWMWHIIB-HNNXBMFYSA-N 351.372 4.321 0 40 FIAB COc1ccc(CN(C2CC2)[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 8944140 OZEYGPKXYLHNQY-OAHLLOKOSA-N 368.477 4.079 0 40 FIAB COc1ccc(-c2nnc3sc([C@@H](C)Oc4ccccc4)nn23)cc1 9355888 MNOJARCSIXDJNS-GFCCVEGCSA-N 352.419 4.001 0 40 FIAB O=c1c(C(F)(F)F)cccn1Cc1c(-c2ccccc2)nc2ccccn12 84559903 ZUMJDYIXXZKOOR-UHFFFAOYSA-N 369.346 4.230 0 40 FIAB COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3OC)cc2c1 25765311 BEFYSCSLSZTLNQ-UHFFFAOYSA-N 356.809 4.466 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1ccc(Cl)c(Cl)c1 32912590 NIDFLVOWDHJSLX-AWEZNQCLSA-N 361.175 4.127 0 40 FIAB Brc1ccc(-c2ccc(Oc3nccn4cnnc34)cc2)cc1 536524138 VFXFOFXUTGKRKL-UHFFFAOYSA-N 367.206 4.346 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN(C)c1ccccc1 219323178 OFJQELATHLBESQ-SFHVURJKSA-N 360.885 4.140 0 40 FIAB CCn1ccnc1CN1CCC(c2cncc(-c3ccccc3C)n2)CC1 72359816 SKGOLFLKPGICCL-UHFFFAOYSA-N 361.493 4.048 0 40 FIAB CCOc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224699484 QXIGXJLUSAIDKT-UHFFFAOYSA-N 366.505 4.310 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(Cl)cc1Cl 44884412 ZDPDMWBWUVLARP-UHFFFAOYSA-N 360.244 4.418 0 40 FIAB CCCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078487 ZYUMONIUYUCOQP-UHFFFAOYSA-N 350.462 4.200 0 40 FIAB CCOC(=O)N1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 45331677 IGEIRAKLLHYWTQ-IBGZPJMESA-N 374.868 4.462 0 40 FIAB CCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cc1C(=O)OCC 225838822 PRQOSJUUYQAPOO-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB CC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225910965 OPGLSZZCNICEFJ-CYBMUJFWSA-N 357.325 4.368 0 40 FIAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)o1 49170007 KQOLVEIFLNXIOC-AWEZNQCLSA-N 371.387 4.013 0 40 FIAB biogenic,in-vitro CCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)c(Cl)c1 49006253 WVXPCKNPUTYLOB-UHFFFAOYSA-N 363.845 4.219 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CC1 222910141 WWMRMMXGLSOUAL-UXHICEINSA-N 368.550 4.463 0 40 FIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225801577 AXFPIXIMMAHEPI-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 223140777 OAOQJZLMHOLENW-SCUMNGBJSA-N 353.506 4.418 0 40 FIAB Cc1cc(C)c(CNC(=O)c2cc(C)n(Cc3ccccn3)c2C)c(C)c1 97286063 FIHVPDCVXMFMIC-UHFFFAOYSA-N 361.489 4.404 0 40 FIAB OC1=Nc2ncn(-c3cccc(Cl)c3)c2[C@@H](c2cccnc2)SC1 95475214 IMTOJHXWGSDRCY-MRXNPFEDSA-N 356.838 4.345 0 40 FIAB O=C(c1c[nH]c2ccccc12)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 96345863 RSUGQTAFNOQEIC-QGZVFWFLSA-N 362.429 4.399 0 40 FIAB O=C(NCc1ccc(C(=O)c2cccs2)s1)c1ccc(F)c(F)c1 90610552 APUVCJCJLOYZBC-UHFFFAOYSA-N 363.410 4.249 0 40 FIAB CC(C)c1csc([C@@H]2CCCN([C@@H](C(=O)O)c3ccccc3F)C2)n1 652424888 JYPUQIOMFHOTQD-CXAGYDPISA-N 362.470 4.411 0 40 FIAB C[C@H](NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C)c1ccc(F)cc1 604394418 LKRYXJDRJIYSIA-YLAKUSLOSA-N 354.469 4.269 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCCC[C@@H](c2ccc(F)cc2)C1 96119773 GIGRANHQHRSNRS-OAHLLOKOSA-N 354.381 4.484 0 40 FIAB Cc1ccccc1CCN[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585289709 MIDUDAMNJWBZQC-PWRODBHTSA-N 359.897 4.142 0 40 FIAB Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 225992670 YUFBMPKQRHEJAW-UHFFFAOYSA-N 359.145 4.424 0 40 FIAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)NC1CCCCC1 5185873 QHACJGAMMOBOBM-UHFFFAOYSA-N 363.461 4.064 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C 5834528 XTOLYXKPYLHHQR-HWWQOWPSSA-N 372.292 4.020 0 40 FIAB COc1ccc(C2(NC(=O)[C@H]3OCOc4ccccc43)CCCCC2)cc1 12197850 CMUPECBPCYYOIA-FQEVSTJZSA-N 367.445 4.079 0 40 FIAB CCOC(=O)c1cc(Cl)cnc1C1CCN(Cc2cccs2)CC1 12275359 FRMGZCGOXWYKMT-UHFFFAOYSA-N 364.898 4.353 0 40 FIAB COc1ccc(CCNC(=O)c2ccccc2OCc2ccccc2)cc1 12773156 HISNVIBLVGJANL-UHFFFAOYSA-N 361.441 4.247 0 40 FIAB O=C(COc1ccc(C2SCCCS2)cc1)NC1CCCCC1 14112215 RNEGPJWLYXCIJW-UHFFFAOYSA-N 351.537 4.383 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)c1 16724364 ORNMYDJLOBXVSR-JXMROGBWSA-N 367.323 4.254 0 40 FIAB Cc1ccc2c(NC(=O)c3sc(-c4ccccc4F)nc3C)n[nH]c2n1 19714477 NQRFBXUXXDACQU-UHFFFAOYSA-N 367.409 4.090 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccccc2C)c1 19934820 GGISXSNDMMDQCA-GOSISDBHSA-N 355.434 4.276 0 40 FIAB CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN1CCCC1 4214232 XPSOFSIDLMRECY-AUSIDOKSSA-N 351.490 4.420 0 40 FIAB in-man Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1Cl 10903077 FTIQOTHPMUWJJB-UHFFFAOYSA-N 353.853 4.132 0 40 FIAB O=C(CCC(=O)N1CCC[C@H]1c1ccncc1)c1ccc2c(c1)CCCC2 26001461 BTDCTOGIKLEVQY-NRFANRHFSA-N 362.473 4.287 0 40 FIAB Cc1c(CC(Cl)(Cl)Cl)c2c(n1N(C)C)CC(C)(C)CC2=O 719092 AHWSAEKQHLBDRP-UHFFFAOYSA-N 351.705 4.062 0 40 FIAB COc1ccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 4072063 BGWVGEJRNKHPMU-UHFFFAOYSA-N 369.490 4.267 0 40 FIAB Cc1nnc2ccc(-c3ccc(NC(=O)CCC4CCCCC4)cc3)nn12 4377161 JISZTHYOZAURRP-UHFFFAOYSA-N 363.465 4.399 0 40 FIAB Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1F 11835312 ILJQZYHRTXVZHL-UHFFFAOYSA-N 373.409 4.007 0 40 FIAB CCC(=O)N1CCCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 17248081 GIAPPXPMALNEAE-UHFFFAOYSA-N 366.461 4.415 0 40 FIAB Cc1ccc(C)c(-c2csc3c(=O)n(CC(=O)OC(C)(C)C)cnc23)c1 23126635 VRVYCZSWWDZPMX-UHFFFAOYSA-N 370.474 4.084 0 40 FIAB O=C(NCCCOc1cccc2cccnc12)c1ccc(F)cc1Cl 38680915 WUVROHUATYAUNG-UHFFFAOYSA-N 358.800 4.226 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)o1)c1ccc2c(c1)OCCO2 226795005 PITTZPRSLHJXSX-UHFFFAOYSA-N 353.399 4.088 0 40 FIAB Cc1nc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)sc1C 40130488 IXYIWAHTSURVCH-UHFFFAOYSA-N 371.487 4.004 0 40 FIAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CCc2ccccc21 917098 BXLNONCGTFMPPK-UHFFFAOYSA-N 371.849 4.071 0 40 FIAB CCOc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 1015422 LNPNGXUROSXORN-CQSZACIVSA-N 372.852 4.039 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 2138982 UFMOTNAISQKEDK-ULAMTYHHSA-N 357.494 4.222 0 40 FIAB biogenic CCCCCCn1c(N)c(C(=O)NCCCC)c2nc3ccccc3nc21 2367944 SBZIIIHWYWNZMC-UHFFFAOYSA-N 367.497 4.277 0 40 FIAB O=C(c1ccccc1OCc1ccccc1)N1CCN(c2ccccc2)CC1 2659295 SWCVCTNKSHXIKZ-UHFFFAOYSA-N 372.468 4.228 0 40 FIAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccccc2F)s1 2887713 PYHAJXZJSHSTIZ-UHFFFAOYSA-N 359.401 4.063 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 3432237 CFCUFNWTXOYEOD-HNNXBMFYSA-N 364.445 4.215 0 40 FIAB COc1ccccc1OCCNc1nc(-c2cccnc2)nc2ccccc12 3433691 JNSIHKTZHCCHBT-UHFFFAOYSA-N 372.428 4.191 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 3452628 TWIHUXKPXHOKRY-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB Cc1sc2ncnc(SCC(=O)Nc3ccc(Cl)cn3)c2c1C 3571257 CCPWVOSSHYJVRJ-UHFFFAOYSA-N 364.883 4.087 0 40 FIAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1 3910374 ZJDRIKAAFJMYGX-HZPDHXFCSA-N 361.228 4.163 0 40 FIAB biogenic CCCCC(=O)Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1 4858204 AJVZIRCNPGNGMI-UHFFFAOYSA-N 355.482 4.365 0 40 FIAB COc1ccc(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)nn1 5259498 GCBPGMMNYNRLOT-UHFFFAOYSA-N 357.772 4.197 0 40 FIAB O=C(N/C=C\NC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 5328522 XHQGMRCQARRHLQ-FPLPWBNLSA-N 365.220 4.408 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccncc1 5636279 ADIAEJGTHVODPO-OAHLLOKOSA-N 374.469 4.487 0 40 FIAB Cc1ccccc1-n1c(S[C@@H]2CCCCC2=O)nnc1-c1cccnc1 6268527 BQLSHMQQAJNRFA-GOSISDBHSA-N 364.474 4.242 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(Cl)c1 6480390 AORAASJYWFWMSO-UHFFFAOYSA-N 372.833 4.487 0 40 FIAB Cc1cc(C)n(-c2ccc(COC(=O)Cc3ccc(Cl)cc3)cc2)n1 6608616 DZHYDDCKIINEES-UHFFFAOYSA-N 354.837 4.428 0 40 FIAB Cc1[nH]c2ccc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2c1C 6671803 IPDKZVHUILQKGN-UHFFFAOYSA-N 367.880 4.401 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)ccc1Cl 7108644 XNEWMQKJPUOSJD-LLVKDONJSA-N 364.228 4.128 0 40 FIAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1OC 7112540 VRIFQRMMVLVERF-HXUWFJFHSA-N 364.401 4.064 0 40 FIAB COc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2Cl)cc1 7871752 JAQWBABQIRRKLH-UHFFFAOYSA-N 354.233 4.039 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)Nc3ccc(F)cc3)ccc2c1 7926548 DXULZAWSGHYVAP-UHFFFAOYSA-N 352.409 4.058 0 40 FIAB COc1ccc(C)cc1NCC(=O)Nc1ccc(N2CCCCC2)cc1 7972938 QAJLKYOOKVJNJN-UHFFFAOYSA-N 353.466 4.045 0 40 FIAB COc1ccc(F)cc1COC(=O)c1ccccc1NC(=O)c1ccco1 8008661 ZSHUYMVGLVAPJI-UHFFFAOYSA-N 369.348 4.037 0 40 FIAB C[C@H]1CCc2ccccc2N1C(=O)CSc1ncnc2sccc12 8945230 FIRHBYLDWYHEQB-LBPRGKRZSA-N 355.488 4.151 0 40 FIAB Cc1cc2oc(C(=O)Nc3nc4ccc(F)cc4s3)cc(=O)c2cc1C 8994330 QNHBBKKUGAKNOT-UHFFFAOYSA-N 368.389 4.411 0 40 FIAB O=C1CSc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2N1 9514831 NJQZATNXOZYQFZ-UHFFFAOYSA-N 367.455 4.107 0 40 FIAB Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 10882316 PHAZZUPYHJCFDM-USXIJHARSA-N 357.523 4.356 0 40 FIAB Cc1cccc(NC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)n1 11701426 DAFPHOQZTAEKOL-UHFFFAOYSA-N 372.428 4.177 0 40 FIAB O=C(NCc1cc(-c2cccs2)on1)c1ccc(C(F)(F)F)cc1 12235792 OYNZBFIFNLKSGA-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4cccc(F)c4F)nnc3s2)cc1 12390295 LCFYBFZJOPWSES-JXMROGBWSA-N 370.384 4.310 0 40 FIAB COc1ccc(OCc2nnc(SCc3cc(C)cc(C)c3)n2C)cc1 12758379 CUDBXUMGJFZLGE-UHFFFAOYSA-N 369.490 4.312 0 40 FIAB C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(OC(F)F)cc1 12825361 LHZIKKBUTHKSHI-MRVPVSSYSA-N 361.175 4.481 0 40 FIAB CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 12888329 HWJGJJJPHYEIPP-GDBMZVCRSA-N 374.510 4.135 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc(-c3coc(C)n3)cc2)cc(OC)c1 12986078 GTAUOZRSLLZBKJ-RUDMXATFSA-N 364.401 4.319 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 13018410 DMNBVXHAMGVHFU-MRXNPFEDSA-N 362.489 4.009 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)[C@H]1CC=CCC1 14115010 VSNOFCXCJFYRDZ-KRWDZBQOSA-N 350.466 4.356 0 40 FIAB FC(F)(F)[C@@H]1CCCN(Cn2[nH]c(/C=C/c3ccccc3)nc2=S)C1 14238814 XAIRSKALVMZFPJ-MYSGNRETSA-N 368.428 4.343 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 14482127 DVDRRUUUWMHPKG-AWEZNQCLSA-N 354.475 4.007 0 40 FIAB CCN1C(=O)[C@@H](Cc2cccc(OC)c2)c2cc(Br)ccc21 15018179 FLXCOTZOIIENJC-INIZCTEOSA-N 360.251 4.151 0 40 FIAB CCOC(=O)c1ccc(Nc2c(-c3ccc(O)cc3)nc3cnccn23)cc1 15414463 ZPKKCRPOWNMBCT-UHFFFAOYSA-N 374.400 4.022 0 40 FIAB CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](c2ccccc2)C1 15554122 AHRBUAXAVMRQAS-SFHVURJKSA-N 363.288 4.051 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCC2)cc1 15707395 QTRHEPZZNZGQAS-UHFFFAOYSA-N 364.367 4.323 0 40 FIAB Cc1ccc(S(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)cc1Cl 15828675 ZKVGIIQCBIALBR-UHFFFAOYSA-N 369.225 4.241 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)CN(C)[C@@H]1CCCc2ccccc21 16342878 GWEFQZUJNFAPTJ-QGZVFWFLSA-N 362.926 4.369 0 40 FIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(F)c1 16399153 DMZYMTZNPYMTGC-UHFFFAOYSA-N 359.788 4.491 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccccc2)cc1Cc1ccccc1 16729669 MAZGUBMZDRRETI-UHFFFAOYSA-N 353.443 4.087 0 40 FIAB Cn1nccc1-c1nc(NCc2ccc(F)cc2)ncc1-c1ccsc1 19289246 BJFSHCMHKJCKLN-UHFFFAOYSA-N 365.437 4.357 0 40 FIAB CC(C)C(=O)N1CCC([C@@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 19745022 HRPSXHGFMKISDW-HSZRJFAPSA-N 370.537 4.100 0 40 FIAB Cc1cc(C)n([C@H](Nc2ccc(Br)cn2)c2ccc(C)o2)n1 20072382 OUAOEJRJPFMQFP-INIZCTEOSA-N 361.243 4.218 0 40 FIAB Cc1cc2nn(-c3cccc(C(F)(F)F)c3)nc2c(Br)c1N 20134610 SILZQDWSXUFTLZ-UHFFFAOYSA-N 371.160 4.092 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 20451520 ZYMLVOFWEXMJSZ-DYESRHJHSA-N 371.477 4.053 0 40 FIAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1 20610223 XOUPSHGOQMDAAP-UHFFFAOYSA-N 372.428 4.380 0 40 FIAB CCOC(=O)Cc1csc(NC(=O)c2ccc(-c3ccccc3)s2)n1 21488146 IZZNKHIWNCYKSG-UHFFFAOYSA-N 372.471 4.230 0 40 FIAB COc1ccc(-c2csc3c(=O)n(Cc4ccc(C)cc4)cnc23)cc1 23126640 VUAUNNNAYFFBHM-UHFFFAOYSA-N 362.454 4.490 0 40 FIAB CC[C@@H](C)C(=O)O[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 23519917 UMJMHUJYYIQNAG-AUUYWEPGSA-N 353.418 4.158 0 40 FIAB Cc1c(C(=O)NC2CCCCCC2)cnn1-c1ccc(C(F)(F)F)cn1 23683617 MOYTVBRAEWRHGU-UHFFFAOYSA-N 366.387 4.047 0 40 FIAB O=C(NCCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1 24043092 LMSUQXBHLVWFGZ-UHFFFAOYSA-N 372.424 4.379 0 40 FIAB Cc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1 24706108 BPVDJIKGYCIUKN-UHFFFAOYSA-N 350.506 4.230 0 40 FIAB O=C(c1ccc2ccccc2c1)N1CCN(C/C=C/c2ccccc2)CC1 25228799 VZDHKMSMVUZCOX-RMKNXTFCSA-N 356.469 4.311 0 40 FIAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)c(C)c2)cc1 27740914 JHRTVMLSBJULHL-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB Cc1cccc(OCC(=O)N(Cc2cccs2)c2ccccn2)c1C 27744015 SEIJHPXPPRECGP-UHFFFAOYSA-N 352.459 4.372 0 40 FIAB CCOc1ccc(-c2c(C)[n+](-c3ccc(OCC)cc3)c3n2CCC3)cc1 27788802 CGAQQZOKDPMHEM-UHFFFAOYSA-N 363.481 4.484 0 40 FIAB COc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F 31072466 SUBOCHJOFUWJTC-HNNXBMFYSA-N 365.470 4.107 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31961145 SBBKWSOKYFIGGH-UHFFFAOYSA-N 373.474 4.054 0 40 FIAB Cc1cc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)c2ccccc2n1 32714702 BIUXTFHUNMZVFT-OAQYLSRUSA-N 374.440 4.064 0 40 FIAB c1csc(CN(Cc2nc(-c3cccs3)no2)C[C@@H]2CCCO2)c1 32751567 ORQOQCGERUOHFG-ZDUSSCGKSA-N 361.492 4.041 0 40 FIAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 32826255 KYWAPQMGMFEWPZ-LJQANCHMSA-N 364.424 4.270 0 40 FIAB COc1ccc(Cc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 32899495 TXWFKYPHSOPWHJ-UHFFFAOYSA-N 369.442 4.189 0 40 FIAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cccc(-n4cccn4)c3)c2C1 35316587 AZRIMPCTKNEYJU-AWEZNQCLSA-N 364.449 4.264 0 40 FIAB COc1ccc2cc(CNC(=O)N3CCC[C@@H]3c3cc(C)no3)ccc2c1 36397307 NQYQRJPDRTUGIF-LJQANCHMSA-N 365.433 4.192 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3cnn(C)c3C)n2)s1 36613538 OKQZTDXQLJAVFG-UHFFFAOYSA-N 367.400 4.186 0 40 FIAB CC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2s1 40139029 VROBFIQCQRMEGX-UHFFFAOYSA-N 369.446 4.294 0 40 FIAB CC(C)CNC(=O)c1ccc(COc2cccc(Br)c2)o1 40140213 XWEMGRSMQSNRJR-UHFFFAOYSA-N 352.228 4.007 0 40 FIAB O=S(=O)(Nc1cccc(-c2nccs2)c1)c1ccc(F)c(F)c1F 40150885 KISWNCJJXRPBHJ-UHFFFAOYSA-N 370.377 4.028 0 40 FIAB CCOc1ccccc1NC(=O)NCC1CCN(Cc2ccsc2)CC1 43972211 RHUSGRBUWSRHIM-UHFFFAOYSA-N 373.522 4.181 0 40 FIAB O=C(NCc1cc(F)cc(F)c1)c1cc(-c2cccc3ccccc23)[nH]n1 44839250 CVOCIDJNMGEAAN-UHFFFAOYSA-N 363.367 4.438 0 40 FIAB Cc1ccc(OCc2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)o2)cc1 48325906 FJKSIHMTRFYQGV-GFCCVEGCSA-N 374.466 4.491 0 40 FIAB C[C@H](Nc1cccc2c1OCCO2)C(=O)Nc1cc(Cl)ccc1Cl 55156691 MLTMSAPDVNEXCI-JTQLQIEISA-N 367.232 4.204 0 40 FIAB COc1ccc(CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1F 58016711 QJLKNVKWSBYEMB-UHFFFAOYSA-N 361.804 4.170 0 40 FIAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 58309790 SSTAKQRSZCKGBQ-SFHVURJKSA-N 372.469 4.283 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)CN1CCO[C@@H](c2ccc(Cl)cc2)C1 58357436 QUXIBYBGRVSCHM-HXUWFJFHSA-N 368.864 4.386 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1 61997143 UAFWXOLPKSVAOI-UHFFFAOYSA-N 352.390 4.390 0 40 FIAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2cccc(C3SCCCS3)c2)cn1 69159243 ZNCOMNCVOBKFQA-HOTGVXAUSA-N 359.520 4.031 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](O)C1CCCCC1 70636689 FVEMHYZYTPSFJU-JOCHJYFZSA-N 351.490 4.266 0 40 FIAB CCN(C(=O)c1ccc(OC(F)F)cc1)[C@@H](COC)Cc1ccccc1 72309244 XKNPAKVGBNLOSM-QGZVFWFLSA-N 363.404 4.008 0 40 FIAB Cc1ccccc1OCC(=O)N(CCc1cccs1)Cc1ccco1 75154759 AURRCGPDPXKLOD-UHFFFAOYSA-N 355.459 4.300 0 40 FIAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 98068191 GRCLGQGZKIDECF-CQSZACIVSA-N 356.466 4.440 0 40 FIAB Brc1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)cc1 100490306 AOAHDGBJFGWFBD-CYBMUJFWSA-N 359.252 4.158 0 40 FIAB O=C(O)C1=C[C@@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 102243855 RLRPHNQRLMBQRQ-HNNXBMFYSA-N 360.200 4.327 0 40 FIAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCS[C@H](c2ccccc2)CC1 206986737 FHRJIRIYJMFAOR-FQEVSTJZSA-N 363.486 4.397 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1Cl 224186205 PLGUAUTYLSUEJL-UHFFFAOYSA-N 373.880 4.101 0 40 FIAB Cn1c(/C=C2/SCCN2C(=O)c2cccc(Cl)c2)nc2ccccc21 225236298 HUUPTNOITODNJX-LDADJPATSA-N 369.877 4.414 0 40 FIAB CN(CCNC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225335424 SUIJBOOSVMQXPE-UHFFFAOYSA-N 351.277 4.179 0 40 FIAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1cc2ccccc2s1 225588119 FBMDQCMZFDDAMS-LJQANCHMSA-N 369.467 4.222 0 40 FIAB COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl 225608484 RHOGRGDPUOZYDJ-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225642811 KEMSSROHPFNYAC-UYAOXDASSA-N 372.553 4.104 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 225798980 ACPHXIRPBSQXKX-QZTJIDSGSA-N 366.505 4.418 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OCC)ccc1OCC 225818756 DXTZDBPBKOBFDQ-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc(Cl)sc2c1 225978674 HSROIXVWEWDQNK-UHFFFAOYSA-N 355.850 4.404 0 40 FIAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccccc2)nc1CCc1ccccc1 257292643 QMKGCARGPFGKKU-OAQYLSRUSA-N 373.456 4.302 0 40 FIAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c1 409323136 NRUKLEJKVRFILE-OQLLNIDSSA-N 372.471 4.040 0 40 FIAB CNC1CCC(Cc2cccc(-c3cnc4ccc(Cl)cn34)n2)CC1 585263067 ZRQARFBGRHFLCB-UHFFFAOYSA-N 354.885 4.370 0 40 FIAB O=C(N1CCC(c2ccc3cccnc3n2)CC1)C1(c2ccccc2)CC1 655265720 HIUYSVOKJACDGC-UHFFFAOYSA-N 357.457 4.068 0 40 FIAB O=C(NC[C@@H](c1ccsc1)c1ccco1)C1(c2ccc(F)cc2)CC1 670910385 HJIOOKTWUUTTBP-KRWDZBQOSA-N 355.434 4.460 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](c2ccsc2)C1 825520469 KFHQQJGDUVXFAO-LLVKDONJSA-N 356.274 4.450 0 40 FIAB Clc1cc(NCc2cnc3n2CCOC3)ccc1Oc1ccccc1 1621091305 MXUCBIKOMJYREO-UHFFFAOYSA-N 355.825 4.471 0 40 FIAB O[C@@H](COC[C@H]1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1 795279 YNYFYZRFYNNBDF-BJKOFHAPSA-N 365.517 4.423 0 40 FIAB Clc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 846146 MWQGVHSGFKGUEL-UHFFFAOYSA-N 370.865 4.450 0 40 FIAB CC(C)OC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 865288 VSUYDDFKJGKMLQ-TZMCWYRMSA-N 353.344 4.109 0 40 FIAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c1OC 1416500 RQFUGAVZMNDWSX-GZTJUZNOSA-N 369.442 4.249 0 40 FIAB COC(=S)SCN(CSC(=S)OC)c1ccc(Cl)cc1 1661121 GVLDBXBOZCEZTG-UHFFFAOYSA-N 367.970 4.390 0 40 FIAB CC(=O)O[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)N1CCCCC1 1701277 AHLVYOADQOSJBO-RBBKRZOGSA-N 351.446 4.028 0 40 FIAB O=C(NC(=S)Nc1cccc(O)c1)c1sc2ccccc2c1Cl 3304774 YIRMNYYZSKIQLH-UHFFFAOYSA-N 362.863 4.387 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 3329973 RZZHBPUCOLRGRI-UHFFFAOYSA-N 370.503 4.189 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)C(C)C)s2)cc1C 3536505 XCGMVGZMOWMXST-CYBMUJFWSA-N 364.540 4.151 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1C 3611592 GOWOOJWIAXECEL-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB CCc1n(CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccccc2[n+]1C 3878730 FXJNAOPQWIPEMZ-QKLQHJQFSA-N 357.518 4.032 0 40 FIAB COc1ccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1 4120300 PMKKUQONIMDXKT-UHFFFAOYSA-N 354.475 4.057 0 40 FIAB Cc1ccc([C@@H]2NC(=O)C(Nc3ccccc3)=C2C(=O)c2ccccc2)cc1 4498759 LZTQVBWFSJXPHN-NRFANRHFSA-N 368.436 4.415 0 40 FIAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1 4548654 LSBBSJYWAYZSOO-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB CCc1cccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1 4580589 NZESTHPRMHCUJT-UHFFFAOYSA-N 364.401 4.008 0 40 FIAB COc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)cc2)cc1 4593166 TWTPGOLFZUKYGF-ILWKUFEGSA-N 363.413 4.023 0 40 FIAB CCOC(=O)c1cnc2c(OC)nccc2c1Sc1ccc(F)cc1 4709519 HHMRBHPTPYZYSU-UHFFFAOYSA-N 358.394 4.105 0 40 FIAB COc1ccc(-n2ccnc2SCc2nnc(-c3ccccc3)o2)cc1 5114351 YXYIXCHXUIWEEC-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB CCOc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5210300 LACQLAVVVXNARV-UHFFFAOYSA-N 354.431 4.419 0 40 FIAB COc1cc(OC)cc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 5510267 HHORZGRNFIIING-UHFFFAOYSA-N 354.233 4.283 0 40 FIAB CC(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 5545971 GDOMNMIHKHRZSK-UHFFFAOYSA-N 369.896 4.443 0 40 FIAB CCOC(=O)[C@H](C)Oc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O 5580613 WITXRVJZLPIPLN-ZDUSSCGKSA-N 356.374 4.000 0 40 FIAB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1c(Cl)cccc1Cl 5860992 JQJDWXDCWGHEKZ-ZSOIEALJSA-N 363.156 4.246 0 40 FIAB CCN(CC)CCOC(=O)[C@@H](C1CCCCC1)C1(O)CCCCCC1 6382233 CMALZTOOSHBLNK-LJQANCHMSA-N 353.547 4.153 0 40 FIAB Cc1cc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)n[nH]1 6498740 WNBWDSCHSRNJMX-UHFFFAOYSA-N 372.457 4.002 0 40 FIAB Cc1cccn2cc(CSc3nnc(C4CC4)n3-c3ccccc3)nc12 6582048 QTVPDLDDESQGHS-UHFFFAOYSA-N 361.474 4.393 0 40 FIAB C[C@@H](c1ccccc1)n1c(CCNC(=O)c2ccco2)nc2ccccc21 6753057 LIYHADHNBZCNMC-INIZCTEOSA-N 359.429 4.211 0 40 FIAB CC(=O)Nc1nc(COc2ccc(Br)cc2Cl)cs1 6879914 XNNBFUCEWGUIQB-UHFFFAOYSA-N 361.648 4.096 0 40 FIAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(F)cc1F 7227769 ZXORGVNKKRCHNL-SNVBAGLBSA-N 361.373 4.134 0 40 FIAB CCOc1cccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)c1 7388741 YDNISOUCAZEICL-UHFFFAOYSA-N 365.458 4.069 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Br)cc2Cl)cc1F 7922227 VJWWQGIMMISTCN-UHFFFAOYSA-N 372.621 4.431 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2cccc3nc(C)ccc23)c(F)c1F 8072061 UHHXYAPTGIVMFG-UHFFFAOYSA-N 364.298 4.361 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 8139888 LIYAIBLODXCPDA-UHFFFAOYSA-N 368.908 4.490 0 40 FIAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccccc2[N+](=O)[O-])S1 8277673 BEOQXAMYRCJTSF-OQLLNIDSSA-N 373.821 4.448 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)c1 8336176 PEKWIRYBLAWELP-VCHYOVAHSA-N 364.426 4.112 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)c(F)c1 8709983 ITZNZBQOCSPTNS-UHFFFAOYSA-N 369.465 4.487 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1C 8915672 JBMCMDPWWBKORX-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB CCC(CC)NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 10356081 TWKOLPDFVIHIMX-UHFFFAOYSA-N 351.450 4.140 0 40 FIAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NCc1cccc(Cl)c1 11865942 APQOFBHSCGWYQI-KRWDZBQOSA-N 374.893 4.292 0 40 FIAB CCNC(=O)C1(Cc2ccccc2-c2ccc(C)cc2C)CCOCC1 12231578 JKXYOTNXBQFBQX-UHFFFAOYSA-N 351.490 4.446 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)NCC3CCC(C(=O)O)CC3)s2)cc1 12409193 JTUVEVPYLWRGKY-UHFFFAOYSA-N 372.490 4.048 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N2CCCCC2)cc1 12543864 CMINWIMDVLGXGV-UHFFFAOYSA-N 368.525 4.327 0 40 FIAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)cc3O)cs2)cc1 12773715 POFIOBVZVPAEQK-UHFFFAOYSA-N 354.431 4.297 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccsc2-n2c(C)ccc2C)c1 12809382 ZHCHIMSVKGJUBM-UHFFFAOYSA-N 353.447 4.366 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c(OC)c1 12820550 QHHWRFILNCSORD-CFBOXQHNSA-N 371.399 4.344 0 40 FIAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Cl)c(Cl)c1 12866428 XLZARIGOWMQGOW-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB COc1ccc(-c2onc(C)c2-c2ccc(C(=O)OC(C)C)o2)c(O)c1 13126197 NVICOHXQPPKJOM-UHFFFAOYSA-N 357.362 4.189 0 40 FIAB biogenic CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 14065331 IYORKRMAURYREH-UHFFFAOYSA-N 367.380 4.010 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)N3CCc4ccccc43)cs2)cc1 14140101 JXPLGXDLYNUCMQ-UHFFFAOYSA-N 364.470 4.162 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2c(C)nn(CC(C)C)c2Cl)cc1F 14701551 TYKXQZALWZAURW-NSHDSACASA-N 367.852 4.140 0 40 FIAB COc1ccc(NC(=O)N(CC(F)(F)F)c2ccc(OC)cc2)cc1 15109490 DQLDUZLQSJQGFF-UHFFFAOYSA-N 354.328 4.305 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2C)c(OC)c1 15830173 FKOLJFOYPIELBH-XEDBTPMOSA-N 351.446 4.389 0 40 FIAB Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccccc2F)s1 15840090 BXONLHONTQHPME-UHFFFAOYSA-N 360.479 4.221 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 15883189 ZYSTXHZKOOAENM-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 16311259 PZLPRFYUNGCNHN-ACJLOTCBSA-N 352.881 4.138 0 40 FIAB Cc1ccn2cc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)nc2c1 16963897 OHFBTSHYUQLRSM-OAQYLSRUSA-N 373.481 4.492 0 40 FIAB CCOc1cc2c(cc1NC(=O)CCc1c[nH]c3ccccc13)O[C@H](C)C2 18238295 OIKUIELQWXABRV-CQSZACIVSA-N 364.445 4.461 0 40 FIAB Cc1cccc(C2(O)CCN(Cc3c(C(C)C)[nH]c4ncccc34)CC2)c1 19234510 NXLMUESRNFQEAN-UHFFFAOYSA-N 363.505 4.478 0 40 FIAB O=C(CCc1ccncc1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 19345740 NEWHVUIBXOPQSP-UHFFFAOYSA-N 366.461 4.104 0 40 FIAB CC1=C(C(=O)OCCCc2ccccc2)[C@H]2C[C@@](C)(N1)Oc1ccccc12 20375219 YZKAXRSPQMHINO-CVDCTZTESA-N 363.457 4.322 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(-n2ccnc2)cc1 20495577 YICDOCBLNWJIED-KRWDZBQOSA-N 371.440 4.109 0 40 FIAB COc1ccccc1[C@H](CNCc1c(OC)ccc2ccccc12)N(C)C 23248972 HMMXZBSAMHNOFX-NRFANRHFSA-N 364.489 4.250 0 40 FIAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2ncccc2Cl)c(C)c1 24977738 SODZVBTUHQJUQX-GFCCVEGCSA-N 363.870 4.181 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)c1 25425778 FXGVZMXKIBCQEE-LLVKDONJSA-N 353.447 4.246 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 26114410 SYGIUPFASBXISV-UHFFFAOYSA-N 362.429 4.008 0 40 FIAB CCCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 27581353 KGYBBQAPZPZHNN-SFHVURJKSA-N 358.507 4.104 0 40 FIAB COc1cccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)c1 27923190 AVPDYQUONKEOPN-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB CCOc1ccc(NC(=O)COc2c(C)cccc2C)c2cccnc12 28403092 LAQVWVTUVNVOST-UHFFFAOYSA-N 350.418 4.268 0 40 FIAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc2ccccc2s1 31174456 YMXPQPQEBMAHIO-UHFFFAOYSA-N 374.412 4.280 0 40 FIAB COc1ccc(OCCN(C)C(=O)c2cc3ccccc3cc2OC)cc1 32523369 BKKRQSUFRYIASE-UHFFFAOYSA-N 365.429 4.008 0 40 FIAB COc1ccc(CCC(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1 32753505 LNHXMLUDIUUJPR-UHFFFAOYSA-N 373.403 4.031 0 40 FIAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1ccccc1)c1ccc(Cl)nc1 35312466 RWHCFZZPUCXMGD-GOSISDBHSA-N 372.852 4.082 0 40 FIAB O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CCOC12CCCCC2 35671064 ASFATHBAAHESBO-UHFFFAOYSA-N 366.461 4.353 0 40 FIAB O=C(N[C@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1Cl 39995654 XBJNKFDSLGHEJX-OAHLLOKOSA-N 371.742 4.145 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NC[C@@H](c1ccco1)N1CCCCC1 40160811 GPAWKVXHDRFKME-FQEVSTJZSA-N 365.477 4.037 0 40 FIAB O=C(NCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Cl)cc1 41153953 QVTVCLOVUUQQGY-UHFFFAOYSA-N 363.204 4.365 0 40 FIAB Cc1ccc(C(=O)OCc2nc(-c3ccc(Br)cc3)no2)cc1 44836588 QWJGFEGOAYHWRA-UHFFFAOYSA-N 373.206 4.165 0 40 FIAB C[C@H]1C[C@H]1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1 45209799 XVAUQMOGZLUEQB-GHTZIAJQSA-N 354.538 4.125 0 40 FIAB biogenic O=C(CCc1cccnc1)Nc1cccc(OCc2cccc(F)c2)c1 55796218 LFGVGFFEGNTUIM-UHFFFAOYSA-N 350.393 4.371 0 40 FIAB CCOc1cc(CNC(C)(C)CC)ccc1OCC(=O)Nc1ccccc1 58161911 AHYCOQZKSIENMA-UHFFFAOYSA-N 370.493 4.381 0 40 FIAB CO[C@H](CNCc1c(C)nn(-c2ccccc2)c1Cl)c1ccccc1 60528422 JDMMOYXAOWMHHU-LJQANCHMSA-N 355.869 4.311 0 40 FIAB CC(=O)Nc1cccc(OC(=O)c2sc(-c3ccccc3)nc2C)c1 61051558 LIXZOTMNDKKKQZ-UHFFFAOYSA-N 352.415 4.296 0 40 FIAB Cc1ccc(CNC(=O)c2sc(Nc3ccc(Cl)cn3)nc2C)cc1 71326347 FTIRCYKRTKGVIK-UHFFFAOYSA-N 372.881 4.482 0 40 FIAB Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3)nc2-c2cccs2)on1 72337010 CKQFBEFVPLWFER-UHFFFAOYSA-N 367.405 4.123 0 40 FIAB C[C@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccs1 75155910 MLHUBKWPUMISCQ-NRFANRHFSA-N 365.454 4.010 0 40 FIAB COc1ccccc1-c1nc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cs1 83982717 CTKCUOCDRATUEA-JKSUJKDBSA-N 368.433 4.244 0 40 FIAB O=C(NC1CCN(C2CCCC2)CC1)c1ccc2[nH]c3c(c2c1)CCCC3 95407248 WOBUUKSPZYGUIK-UHFFFAOYSA-N 365.521 4.184 0 40 FIAB Cc1cc(NC(=O)C[C@H]2CCOc3ccccc32)cnc1N1CCCCC1 95462449 MCIZIBCZUJYFAV-QGZVFWFLSA-N 365.477 4.275 0 40 FIAB COc1cccc2ncnc(N3CCC[C@@H](c4nc5ccccc5o4)C3)c12 95467691 VUWUMVGPGQNDTG-CQSZACIVSA-N 360.417 4.164 0 40 FIAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@H](c2cccnc2)SC1 95477547 OUFAYYSPNSGFEV-INIZCTEOSA-N 356.838 4.345 0 40 FIAB C[C@@H](CNC(=O)c1cc(Br)ccc1Cl)c1nccs1 96014027 MLYPMQUNDZABNM-QMMMGPOBSA-N 359.676 4.093 0 40 FIAB Cc1cccc2c1OCCC[C@@H]2NCc1ccc(O)c(Br)c1 97032885 VDUOZGHJLQVMEM-INIZCTEOSA-N 362.267 4.467 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)cc1 103510552 UJNDJOLDELECBW-UTKZUKDTSA-N 352.478 4.100 0 40 FIAB CC(C)c1noc([C@@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 106528967 RLWHJDHPDBNLIT-MGPQQGTHSA-N 362.449 4.119 0 40 FIAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 143578766 PMNHALBISBERPU-GOSISDBHSA-N 362.517 4.265 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccsc1-c1nc(C2CC2)no1 206666844 DJZJKQMXVJOZGR-NSHDSACASA-N 355.419 4.082 0 40 FIAB CCOc1ccc(CCC(=O)Nc2ccc(OC)cc2OC)cc1OCC 216424506 VOEQPGHPDAJIMV-UHFFFAOYSA-N 373.449 4.073 0 40 FIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1cccnc1 223447906 MAJNTTFWPJAIJT-IAGOWNOFSA-N 366.515 4.019 0 40 FIAB COc1ccccc1CNC(=S)Nc1ccc(Br)cc1F 225312724 VDNAIRVKXOTLTG-UHFFFAOYSA-N 369.259 4.083 0 40 FIAB O=C(c1cc2ccccc2s1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225677556 RPSFFIJHNXSGBF-HNNXBMFYSA-N 351.427 4.260 0 40 FIAB COc1ccc(NC(=O)c2snnc2-c2cccs2)cc1Cl 225789187 UDIYZUIDHXZWDZ-UHFFFAOYSA-N 351.840 4.181 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253614059 YVCQLADPAZVQRJ-BYTNASFNSA-N 374.521 4.155 0 40 FIAB Cc1ccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1 257305483 SQGHCDKJTTVGLB-UHFFFAOYSA-N 359.473 4.049 0 40 FIAB COc1cccc([C@H](C(=O)O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c1 634691447 HFMZPVCKAOUYPJ-MAUKXSAKSA-N 374.506 4.280 0 40 FIAB CN1CCC(CNC(=O)C2CC3(CCCCC3)C2)(c2ccccc2)CC1 1534285387 OQLRZPQBTVVTQP-UHFFFAOYSA-N 354.538 4.127 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(F)cn2)CN1c1ccc(F)cc1 2037988596 ZUPOSHWAZKBIIO-NRFANRHFSA-N 371.431 4.024 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)N1CCC[C@]2(CCCN(CC3CC3)C2)C1 2056224672 PAXRQFLYRMGGCY-FQEVSTJZSA-N 363.452 4.085 0 40 FIAB CCOc1cc(NC(=O)/C=C/c2ccccc2)c(OCC)cc1NC(C)=O 1223677 SYSQWJZUGNBYTQ-VAWYXSNFSA-N 368.433 4.094 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)COc2ccccc2Cl)cc1 2642399 YPTUUQZQBCMIAV-UHFFFAOYSA-N 361.825 4.024 0 40 FIAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2723172 MBFQFXDIZRAJHG-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB O=C(CCCCCNc1nc(=S)[nH]c2ccccc12)NC1CCCC1 2949163 WFTOLHYQSFVFBN-UHFFFAOYSA-N 358.511 4.323 0 40 FIAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccccc1Oc1ccccc1 3247117 NZSFYSLCTJTKQW-OUKQBFOZSA-N 363.369 4.267 0 40 FIAB CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 4704807 ZGAQMUNMGQVWMJ-OQLLNIDSSA-N 357.387 4.090 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 5578055 DNKHBTREYGYGSF-SNVBAGLBSA-N 368.216 4.406 0 40 FIAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NC1CCCCC1 6028904 WLNUVSLCSPTUDG-LBPRGKRZSA-N 370.478 4.147 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 6648995 MWAYAVDAQLYKJA-UHFFFAOYSA-N 359.838 4.150 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(F)cc1F 7227768 ZXORGVNKKRCHNL-JTQLQIEISA-N 361.373 4.134 0 40 FIAB Cn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1C1CC1 7235222 RGSSMIABNIRXHQ-UHFFFAOYSA-N 364.474 4.237 0 40 FIAB COc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCCC2)cc1 7275515 DKHPEANANDKGIQ-UHFFFAOYSA-N 354.425 4.496 0 40 FIAB CSCc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7448477 HRPPAERJKCTOSJ-UHFFFAOYSA-N 368.546 4.466 0 40 FIAB O=C(c1cc(Cl)ccc1F)N1CCN(c2cccc(Cl)c2)CC1 7848444 XOACETFDWLPJBN-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 7917097 RTRSZRQNTFHNHQ-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)oc2c(Cl)cccc12 8038635 RZGGDMVGXBMYFJ-UHFFFAOYSA-N 363.822 4.050 0 40 FIAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(Br)cc1 8060264 NBGAJIJYELGGRQ-UHFFFAOYSA-N 372.222 4.070 0 40 FIAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccc(F)cc1 8654822 QFSCANBESUJBAO-IBGZPJMESA-N 360.860 4.436 0 40 FIAB C[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc2ccccc2c1 9051380 PLGRWLQGALEDRK-AWEZNQCLSA-N 366.848 4.100 0 40 FIAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1COc2ccccc2O1 9252373 KDUMDKKNVMTORX-CQSZACIVSA-N 357.715 4.137 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3ccccc3s2)c1C 9336769 OGFLBIAVVBJCOL-ZDUSSCGKSA-N 369.442 4.477 0 40 FIAB Cc1nc(-c2ccccc2)nc(SCCN2CCCCC2)c1[C@@H](C)O 9340827 RYISELPWWYFGEK-MRXNPFEDSA-N 357.523 4.083 0 40 FIAB COc1ccc(NCc2cc3cc(C(C)C)ccc3[nH]c2=O)c(OC)c1 12144314 CSJXWHWXGSOVQP-UHFFFAOYSA-N 352.434 4.281 0 40 FIAB C[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)c(F)c1 12761363 IKOAJQCFXRFWDV-CYBMUJFWSA-N 367.399 4.130 0 40 FIAB C[C@H](CC(=O)Nc1ccccc1I)c1ccccc1 12786813 ZWKVCJIBGSCFSP-GFCCVEGCSA-N 365.214 4.424 0 40 FIAB CCCCNC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 12845200 STYCVUIZCNWBOP-UHFFFAOYSA-N 373.400 4.154 0 40 FIAB C[C@@](CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(=O)O)c1ccccc1 13250079 OMEBGDVRDFRTFO-KRWDZBQOSA-N 352.217 4.365 0 40 FIAB Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)C[C@@H](C)O3)c2ccncc2)cc1 19136790 MZCKMSJZYIEJRQ-MZNJEOGPSA-N 372.468 4.162 0 40 FIAB COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)N2Cc2cnc(C(C)C)nc2)c1 19453934 DTSVJXKHWICMDF-UEXGIBASSA-N 367.493 4.041 0 40 FIAB Cc1ccc(-c2ncc(-c3cncn3CCCN3CCCCC3)cn2)cc1 19719332 GODSOIGPMZQTMQ-UHFFFAOYSA-N 361.493 4.192 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 20042089 ZEIGEXTVPRFGRE-HSZRJFAPSA-N 374.484 4.346 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 20456877 WRVJGZKVYSRKMB-HXUWFJFHSA-N 368.477 4.177 0 40 FIAB COc1ccc2oc(C(=O)N(C)CCOc3ccccc3F)c(C)c2c1 24832959 JRJBAKPWZVMIJG-UHFFFAOYSA-N 357.381 4.040 0 40 FIAB CC(=O)c1cccc(NC(=O)c2cccnc2SCC(F)(F)F)c1 25053591 DWLYWPVYCBSPQZ-UHFFFAOYSA-N 354.353 4.191 0 40 FIAB COC(=O)c1ccc(F)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 26496970 TTZFXVUEPNABAU-UHFFFAOYSA-N 354.381 4.055 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)CSCc1csc(-c2ccco2)n1 31420619 QCGLDCZQGRJDIG-TZMCWYRMSA-N 350.509 4.331 0 40 FIAB Cc1cc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)nc(C)n1 32781665 YAOJSSOCQNTOHB-UHFFFAOYSA-N 366.368 4.455 0 40 FIAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1 32912575 UOZHYZWMTXJRNN-CQSZACIVSA-N 361.175 4.127 0 40 FIAB CC(C)CC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 32984933 QPOXHTOPSYARPV-UHFFFAOYSA-N 363.461 4.061 0 40 FIAB CC[C@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1 40023906 OTBBJGQVPNUXIY-INIZCTEOSA-N 358.438 4.294 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccccc1N1CCCC1=O 40104189 ZQYHBVIIXWWXBP-MRXNPFEDSA-N 369.490 4.416 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1OC 44880733 MOTMUBUSALDIIG-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 44900230 MIMTUGVREBOAGS-OAHLLOKOSA-N 355.434 4.393 0 40 FIAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccnn1C1CCCC1 57273833 FSEPTCVXDHUBDI-UHFFFAOYSA-N 374.488 4.316 0 40 FIAB CN(Cc1cccnc1)C[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 58377573 SFNOEVJKFLXSJL-QGZVFWFLSA-N 372.900 4.111 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccc(C)cc2)C1=O 59457375 KRUPDAQSSMEXJV-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2ccccc2n1 63836621 KMFUGPPUSVCDKO-IUODEOHRSA-N 363.392 4.221 0 40 FIAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccc2ccccc12 71280113 ACSPBLPLRYZFNG-QGZVFWFLSA-N 363.417 4.031 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(Cl)c(C)c2)cc1 72217818 OHOPGPPNQGUOJJ-QGZVFWFLSA-N 364.898 4.268 0 40 FIAB O=C(NCCc1csc2ccccc12)N1CCC(C(F)(F)F)CC1 73753145 XRETWLHREJQHAK-UHFFFAOYSA-N 356.413 4.428 0 40 FIAB CC[C@H]1CN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CCO1 75118298 TVJYHLTTYFVUDS-KRWDZBQOSA-N 363.477 4.237 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)CCSc2ccccc2)n1N 84044297 RNBDKCXQEQYZND-GFCCVEGCSA-N 360.508 4.223 0 40 FIAB C[C@@H]1CN(CCCNc2cc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 89936642 ASCLLYJBEUMKJR-ZIAGYGMSSA-N 367.415 4.165 0 40 FIAB COc1cccc(-n2cnc3c2[C@H](c2ccc(O)cc2)SCC(O)=N3)c1 95476849 HRLJJABMKXJVCY-SFHVURJKSA-N 367.430 4.011 0 40 FIAB CC(C)(C)c1ccc(OCCNC(=O)COc2ccc(Cl)cc2)cc1 223366757 WFXCMWRWWFBHNV-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB Cc1cc(OCC(=O)NC(C)(C)CC(C)(C)C)ccc1Br 224241402 NMKYGAHDDFNCSJ-UHFFFAOYSA-N 356.304 4.467 0 40 FIAB Cc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1C 224454167 OBOUJSGBTLZZEL-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 224911634 GOYBTKFXFNKOSF-LBPRGKRZSA-N 359.297 4.037 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCC)c(OCC)c2)c1C 225064522 DWNUQMRIQOBIGJ-UHFFFAOYSA-N 371.433 4.221 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1C 225176985 AHQMCRBYRQDHQH-SFHVURJKSA-N 367.489 4.145 0 40 FIAB FC(F)(F)c1ccc(NC(=S)NCCCN2CCCCCC2)cc1 225399954 IXBOOJUMHFNRRK-UHFFFAOYSA-N 359.461 4.258 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)c1 225514791 UPUGFQNOIOCCHU-HNNXBMFYSA-N 356.491 4.171 0 40 FIAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc2sc(NN)nc12 226310593 HRRZHIZAVPEHAR-UHFFFAOYSA-N 367.261 4.449 0 40 FIAB Cc1nc(-c2ccco2)ccc1C(=O)NCCCn1ccc2ccccc21 257173713 VMGMJEQEYVRLHA-UHFFFAOYSA-N 359.429 4.425 0 40 FIAB CC(C)n1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc(Cl)s2)n1 396163613 KAGRGEHEMHRZRO-UHFFFAOYSA-N 352.696 4.145 0 40 FIAB O=C(c1cccc(Cl)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 514250847 DQRHFEDAYSKKAH-UHFFFAOYSA-N 351.016 4.452 0 40 FIAB Cc1cccc(F)c1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1325912650 ZENPOEDXUNIJHJ-UHFFFAOYSA-N 361.829 4.482 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)c(OC)c1 936296 OTJWVGMZWFJQTO-RMKNXTFCSA-N 354.431 4.274 0 40 FIAB CC(C)c1ccc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 1080474 QGFJPFDTOPEGGE-UHFFFAOYSA-N 355.507 4.035 0 40 FIAB CCC(C)(C)NC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 1999479 VDKMYSMWQCFYBQ-LJQANCHMSA-N 369.505 4.020 0 40 FIAB in-man CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 2461091 KTJSQVKUEBRNJK-UHFFFAOYSA-N 355.824 4.143 0 40 FIAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(F)cc1 2657951 GJAILQFVISHDIN-UHFFFAOYSA-N 360.439 4.152 0 40 FIAB Cc1ccc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)C(F)F)cc1 3263917 AYIFCNULRBWPBG-UHFFFAOYSA-N 365.323 4.432 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1OCC 3354555 JSGQHTNGGYRWGD-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1 3493716 KQOBJDFERIQOJN-UHFFFAOYSA-N 351.402 4.108 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)c3ccc(CO)cc3)c2cc1C(C)C 3523332 UDQXOKKSXGHZHV-UHFFFAOYSA-N 366.413 4.074 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccccc3)cc2)cc1 3582182 OQIFPGIMHMHAFG-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB COc1ccccc1CNC(=O)COc1ccc2oc3c(c2c1)CCCC3 3606460 JVBHAZJYVLUUCH-UHFFFAOYSA-N 365.429 4.015 0 40 FIAB C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 3648686 GWGYNMQRTOMNHF-HNNXBMFYSA-N 366.486 4.335 0 40 FIAB CCOc1ccccc1C(=O)N1CCN=C1SCc1cccc(Cl)c1 4120610 ZHWHAMJJOFGBPZ-UHFFFAOYSA-N 374.893 4.484 0 40 FIAB C[C@@H]1CCCCN1C(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 5303213 HMSQHXUPIAYQMB-CQSZACIVSA-N 369.486 4.072 0 40 FIAB CC[C@@H](C(=O)O[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1)c1ccccc1 5640805 JGLLORJGMMGZKF-SWLSCSKDSA-N 370.474 4.399 0 40 FIAB Cc1ccc2[nH]c(SCC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)nc2c1 6292291 FWETWGFUDBIMLL-LLVKDONJSA-N 371.428 4.153 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccccc1 6441654 DJMCOKXBBBZACX-FMIVXFBMSA-N 362.385 4.192 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(OC(F)(F)F)cc1 6969482 XZOJXDURASNDGE-UHFFFAOYSA-N 365.336 4.356 0 40 FIAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 7262606 SJDRUHHDPRQWPW-VIFPVBQESA-N 354.189 4.128 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)c1nnc(-c2cccs2)o1 7914661 QMFIGMCAWTZQSD-CQSZACIVSA-N 370.478 4.046 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1SC[C@H]1CCCO1 7922490 DYFQKDLTSNHQAV-QAPCUYQASA-N 369.486 4.211 0 40 FIAB O=C(NCc1cccc(Cl)c1)N1CCN(c2ccccc2Cl)CC1 8026833 FZHOJUUXXNSHDF-UHFFFAOYSA-N 364.276 4.025 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 8060181 FSCYAYKNHSKEBJ-UHFFFAOYSA-N 370.405 4.281 0 40 FIAB C[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1Br 8088647 DOVXGKJPUKXJFN-NSHDSACASA-N 368.658 4.359 0 40 FIAB C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cc2ccccc2o1 8238778 WTWSMASGWTWOGV-SGTLLEGYSA-N 366.442 4.113 0 40 FIAB O=c1c2oc3nc4c(cc3c2ncn1Cc1ccc(Cl)cc1)CCCC4 8642670 VNIQEVXCUJGJRA-UHFFFAOYSA-N 365.820 4.118 0 40 FIAB COc1ccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)cc1OC 8903862 ZVSVQTNVDIRNQS-UHFFFAOYSA-N 354.406 4.497 0 40 FIAB Cc1nc2c(=O)n(Cc3ccccc3F)nc(-c3ccc(F)cc3)c2s1 8955550 SUPBDDPKSYWQRK-UHFFFAOYSA-N 369.396 4.155 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c1 9479800 GNAFJMLJHXJWKL-UHFFFAOYSA-N 372.421 4.303 0 40 FIAB C[C@@H]1Cc2cc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)ccc2O1 10299096 BJBMATGTQFRTEP-CYBMUJFWSA-N 363.457 4.053 0 40 FIAB Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc12 10431296 JTKSLGKPDOYHHQ-UHFFFAOYSA-N 355.250 4.085 0 40 FIAB O=C1NCCCC[C@@H]1Sc1ncnc2scc(-c3ccc(F)cc3)c12 11124241 BWZCTDQGANLWFF-AWEZNQCLSA-N 373.478 4.258 0 40 FIAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1 11914491 AHJHXLDPYOYESH-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB CCOc1ccc(NCc2cc3ccc(C)cc3[nH]c2=O)c(OCC)c1 12144343 SQRHXTQPKNPTDC-UHFFFAOYSA-N 352.434 4.246 0 40 FIAB COc1ccc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(F)c(F)c2)C3)cc1 12361651 UXVXOUIGTMSEAE-VSOVRNOCSA-N 373.443 4.093 0 40 FIAB Nc1c(-c2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1ccccc1 12374434 SKKPQVZOLGYHMZ-UHFFFAOYSA-N 352.397 4.296 0 40 FIAB CC(C)CNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 12419564 BXORTYPNKKIAEG-UHFFFAOYSA-N 362.476 4.304 0 40 FIAB COc1ccc(N[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1Cl 12763572 GFINSWPZUGKEIC-VIFPVBQESA-N 363.870 4.437 0 40 FIAB COc1cc(/C=C/C(=O)Nc2c(F)cccc2F)ccc1OC(F)F 12786358 MMUANBQWGSNNGO-SOFGYWHQSA-N 355.287 4.227 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2cccs2)cc1 14134496 FQYIHEFFJGAJSR-ZDUSSCGKSA-N 372.519 4.245 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccc(Cl)cc1 14397198 MJLMJRQGTGQSBK-GFCCVEGCSA-N 353.846 4.155 0 40 FIAB COc1ccc(OCCNC(=O)c2sc3cccc(F)c3c2C)cc1 15615647 WHZVPAIMWWVNDF-UHFFFAOYSA-N 359.422 4.166 0 40 FIAB Cc1ccc(Nc2nc(N(C)C)nc3c2cnn3-c2ccccc2)cc1C 17052893 ZPZSANJBLZQTKR-UHFFFAOYSA-N 358.449 4.242 0 40 FIAB O=C(Nc1cccc2ccccc12)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 18166904 XRHUCSLLVCMLJM-WDXRGRCHSA-N 372.472 4.366 0 40 FIAB O=C(c1cccc(OC(F)F)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 18255306 YRNQIYMXCGYGQF-INIZCTEOSA-N 357.360 4.142 0 40 FIAB CN(C)C1CCC2(CC1)CN(C(=O)[C@H]1CC=CCC1)Cc1ccccc1O2 19583967 ORXINVIVBLZODD-QRGRWYIGSA-N 368.521 4.007 0 40 FIAB CN1CCN([C@H]2Cc3cc(F)ccc3Sc3ccc(Cl)cc32)CC1 19802221 AJXGZNWTRBHLQF-KRWDZBQOSA-N 362.901 4.475 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20143861 YMOKCXDCUQDKOI-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C)c1cc2ccccc2o1 22275787 UWWGUOGWOCTARW-MGPUTAFESA-N 370.493 4.331 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 22407122 DANPEBWPZWGEJK-YLJYHZDGSA-N 364.489 4.405 0 40 FIAB CCN1C(=O)Cc2cc(NC(=O)NCc3cccc4ccccc34)ccc21 22506883 DNVRTTWJHBMKMJ-UHFFFAOYSA-N 359.429 4.071 0 40 FIAB Cn1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cn1 25309415 MOJFFOBSCIMZFB-UHFFFAOYSA-N 350.403 4.056 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30867161 GUGAKZXLKDQVEZ-WMZOPIPTSA-N 371.477 4.355 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1Oc1ccccc1 32354646 SIBIQNJLKUYVFK-UHFFFAOYSA-N 356.385 4.312 0 40 FIAB CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccc(-c2ccccc2F)o1 32719475 NDZCXVGJSRLRRR-LSDHHAIUSA-N 373.424 4.422 0 40 FIAB Cc1nc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)sc1C 32727712 OOSMWIWJESOATC-UHFFFAOYSA-N 357.483 4.461 0 40 FIAB CCC[C@H](NC(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1 32795289 YNMKXVNVWYAOIQ-KRWDZBQOSA-N 350.466 4.336 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 32978680 ITIJOHGVCKROIB-CHWSQXEVSA-N 354.475 4.173 0 40 FIAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104742 BXKQESUUVXUDLL-YOEHRIQHSA-N 370.522 4.189 0 40 FIAB COc1ccc(NC(=S)NCc2ccccc2CN(C)C(C)C)cc1 36847606 IWTYUMYGVLHERM-UHFFFAOYSA-N 357.523 4.022 0 40 FIAB Cc1ccc2[nH]c(SCC(=O)N3c4ccccc4CC[C@H]3C)nc2c1 40023438 HXMWQIDWFLRBNR-CQSZACIVSA-N 351.475 4.331 0 40 FIAB COc1ccc(NC(=O)c2c(Cl)cccc2OC)cc1OC(F)F 40157989 GWEJOTVLQNQHNX-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB O=C(NCc1nc2ccccc2[nH]1)c1cc2occc2n1Cc1ccccc1 40284363 VUXLNRVWRSJHDT-UHFFFAOYSA-N 370.412 4.089 0 40 FIAB CC(C)(C)n1nc(C(=O)NCc2nc3ccccc3s2)cc1C1CC1 42713040 BSGZTTHHRKVAQE-UHFFFAOYSA-N 354.479 4.055 0 40 FIAB CC(C)(C)c1n[nH]cc1CN(CCCn1ccnc1)C[C@@H]1CC=CCC1 43277745 BKDILGHEBIMTPO-GOSISDBHSA-N 355.530 4.152 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1OC 44837994 VQGABVJIFBHCCI-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 44900190 WXXNJDDDBLFSGU-UHFFFAOYSA-N 361.489 4.419 0 40 FIAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 48343226 KFQWVQOFKOANIA-KRWDZBQOSA-N 351.475 4.348 0 40 FIAB O=C(COC(c1ccccc1)c1ccccc1)N1CCc2ccc(O)cc2C1 52865603 QRQUXNKFAUWMAG-UHFFFAOYSA-N 373.452 4.083 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)c3cccc(Oc4ccccc4)c3)C2)n1 54661434 PFSQEIKEBZMGLJ-QGZVFWFLSA-N 363.417 4.190 0 40 FIAB COc1ccc2c(c1)N[C@]1(CCCN(Cc3ccccc3)C1)c1cccn1-2 57773412 JVHDFVZYOBSZHG-QHCPKHFHSA-N 359.473 4.403 0 40 FIAB Cc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 58064242 QWKFMGZUXNRPOF-JLJPHGGASA-N 373.522 4.219 0 40 FIAB COc1ccccc1[C@H](C)NCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 58163997 CZAMWNDPIXAQRG-VUMMCCRTSA-N 370.537 4.067 0 40 FIAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 65827290 XPNAGBDVGOYJFO-UHFFFAOYSA-N 370.518 4.395 0 40 FIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC[C@H]1CC 72414621 WQIRLYSLJYMXNE-MRXNPFEDSA-N 353.528 4.470 0 40 FIAB CC(C)c1cnc(S[C@H](C)C(=O)NCC(=O)c2ccccc2)n1C(C)C 75076947 WOEDQDPFVHFUAJ-OAHLLOKOSA-N 373.522 4.067 0 40 FIAB CCCCc1nc(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)no1 75610370 RTIMTWXRQUTTAJ-INIZCTEOSA-N 363.889 4.418 0 40 FIAB CC(C)c1nc2ccc(NCc3nnnn3-c3ccccc3)cc2s1 84631212 IGKWMFHCQUDGOO-UHFFFAOYSA-N 350.451 4.008 0 40 FIAB CCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)c1cccnc1 104401634 HRPVUQDMSCQKQA-UHFFFAOYSA-N 361.232 4.241 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 195530640 JQTHEVSJBRFWGI-BRDQJBEXSA-N 360.523 4.067 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc2ccccc12 223544760 GSJDORVOTDAANG-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc(C)c1C 223949900 GOQIVFASHNDONS-SFHVURJKSA-N 361.869 4.309 0 40 FIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)c1 224230210 FTWOUBKBMXDXBP-VQTJNVASSA-N 362.502 4.214 0 40 FIAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224251639 WKGPQYKMAIAADF-WOJBJXKFSA-N 362.502 4.389 0 40 FIAB COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1Cl 225056243 ZGRNCNANDADAIR-UHFFFAOYSA-N 361.850 4.327 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(F)cc1 225126625 ZZRHMWFHCWLYEA-OAQYLSRUSA-N 355.453 4.221 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(Br)cn1 225194735 CKSKSHQNDNIUGB-LBPRGKRZSA-N 364.312 4.152 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SC(C)C)s1 225225005 MIWFYEGWUODRAP-ZDUSSCGKSA-N 351.497 4.143 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCCC1 225654647 SCHQZKXJIFSCMU-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB c1ccc(CN[C@H]2CC[C@@H]3S[C@@H]2CC[C@H]3NCc2ccccc2)cc1 245240105 LLRPUFMACFGFPY-ZDNVTZCJSA-N 352.547 4.361 0 40 FIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cc(Br)cs1 390828442 BBEHVTDRJWVDKY-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc([C@@H]2CCOC2)c1 534911000 IZTREAMBLSSCGN-HXUWFJFHSA-N 374.440 4.417 0 40 FIAB CCCC(CCC)N1CCOC[C@](O)(COc2cc(C)cc(C)c2C)C1 585282464 KQMALHDSPQCBQR-QFIPXVFZSA-N 363.542 4.023 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@H]4CC[C@@H](C3)S4)cc2F)n1 626301652 QBMYQTMVGROYJS-CVEARBPZSA-N 374.485 4.130 0 40 FIAB Cc1ncccc1C(=O)N1CCC[C@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615120062 JTILXYAPCAYIOK-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB Cc1cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)nc(C2CC2)n1 1888897578 CFVMICMQELWGJS-UHFFFAOYSA-N 350.447 4.347 0 40 FIAB COc1ccc(/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2CCO)cc1 622733 DKKJBZKEKPKGIF-VZCXRCSSSA-N 374.893 4.412 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2I)c(C)c1 682282 SBAUCYUZYORRNQ-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB COc1cc(C=O)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 873594 LSCALEBGNZMNAF-UHFFFAOYSA-N 373.493 4.381 0 40 FIAB CCN(CC)C(=S)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1066641 CIBQNBOUGBAUSV-UHFFFAOYSA-N 372.334 4.332 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C)n1C 2623369 ZGUQEFJFDIPCLX-UHFFFAOYSA-N 374.897 4.066 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc(C)c1C 2660765 QFZRGVUMECOLJK-UHFFFAOYSA-N 371.384 4.031 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)oc2=O)cc1 3399268 JHRSRUZREIVYGX-UHFFFAOYSA-N 355.312 4.090 0 40 FIAB COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O 4098362 UQFQODVSORPELA-KRWDZBQOSA-N 370.401 4.027 0 40 FIAB biogenic,in-vivo CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@H](C)C2 4108139 WHEHYEBCGVJEHR-GHMZBOCLSA-N 350.484 4.299 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(Cl)cc1 4120077 DTVSDLPMBJHNSS-CQSZACIVSA-N 374.893 4.239 0 40 FIAB CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC[C@H](O)CO 4411082 RVNAQNUKCZKJCP-WOJBJXKFSA-N 374.562 4.115 0 40 FIAB biogenic COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 4418621 XUNTYFCJMRQSGB-UHFFFAOYSA-N 355.341 4.242 0 40 FIAB CCCCc1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 5084693 AGBMCRZKOXWPIX-UHFFFAOYSA-N 369.852 4.031 0 40 FIAB CN(C)CCN(C(=O)c1cccs1)c1nc2c(Cl)cccc2s1 5121421 SSCZWWAMUVUILS-UHFFFAOYSA-N 365.911 4.220 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 5256028 CIQRVUIBUQWEIK-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB O=c1c2c(nc3n1CCS3)c1ccccc1n2Cc1cccc(Cl)c1 5451778 FQOQTNYCFNXZIZ-UHFFFAOYSA-N 367.861 4.159 0 40 FIAB CCn1c(COc2ccccc2OC)nnc1SCc1ccc(C)cc1 6169117 MAYNRDHAVNVBIT-UHFFFAOYSA-N 369.490 4.486 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 6612144 LHKZXZCGYOMKGT-UHFFFAOYSA-N 373.408 4.415 0 40 FIAB Cn1c(SCc2cc3ccccc3nc2Cl)nnc1-c1cccnc1 6649091 ZXAPVTYMLGGVEZ-UHFFFAOYSA-N 367.865 4.371 0 40 FIAB O=C1c2ccccc2N[C@H](c2cnc3ccccc3n2)N1c1ccccc1 7363949 FSDPGXBSCGVNRZ-NRFANRHFSA-N 352.397 4.401 0 40 FIAB CC[S@](=O)c1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 7718299 XHZHZMYBNYJROL-JOCHJYFZSA-N 356.274 4.051 0 40 FIAB CN(CC(=O)Nc1ccccc1Cl)Cc1ncc(-c2ccccc2)o1 7912531 QOFRDBHEWUTTNE-UHFFFAOYSA-N 355.825 4.066 0 40 FIAB CCc1ccc(N2C(=O)/C(=C\c3cccs3)C(C(=O)OC)=C2C)cc1 8085683 KRGGMOTVSMPBJG-ATVHPVEESA-N 353.443 4.188 0 40 FIAB COc1cc(CO)cc(Br)c1OCc1ccccc1Cl 8470394 ZALIQJFFFVPQLY-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB COc1ccc(CN(C)C(=O)NCc2ccc3cc(OC)ccc3c2)cc1 10495225 JVTPDTHIRFCSBO-UHFFFAOYSA-N 364.445 4.199 0 40 FIAB C[C@H]1CN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C[C@@H](C)O1 12529815 IFBSCKMRQCJRDC-IYBDPMFKSA-N 369.896 4.347 0 40 FIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3cccc(Br)c3)ccc2o1 12537632 KUVWXVYVYFQSAN-JTQLQIEISA-N 374.238 4.338 0 40 FIAB COc1ccc2c(CC(=O)Nc3cnc(-c4ccccc4)nc3)coc2c1 12753221 FWPSRKPPSKOSRZ-UHFFFAOYSA-N 359.385 4.080 0 40 FIAB CC(C)[C@@H](NC(=O)NCc1ccccc1)c1ccc2c(c1)OCCCO2 12783649 IQRGYOCIJBMTKM-HXUWFJFHSA-N 354.450 4.044 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC[C@H](C)C3)cc12 12806905 LLBFXNXVMJUNPL-ZDUSSCGKSA-N 371.481 4.466 0 40 FIAB CCOc1ccc(OCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 12809105 XRRPBRCNNZKJGQ-UHFFFAOYSA-N 367.367 4.189 0 40 FIAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccccc3F)n2)cc1 12866455 KAJOZMQRZOLIAP-UHFFFAOYSA-N 367.424 4.248 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCc2noc(-c3ccco3)n2)n1 12904157 JUEWAFIMEBRBRX-UHFFFAOYSA-N 350.403 4.387 0 40 FIAB Cc1csc2nc(CN(C)Cc3cccc(Cl)c3Cl)cc(=O)n12 13040738 RFJDGMLEVDGNGD-UHFFFAOYSA-N 368.289 4.003 0 40 FIAB COc1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc(OC)c1OC 13675808 IPDPNGLSTXJTFP-UHFFFAOYSA-N 371.433 4.286 0 40 FIAB CCn1c(COc2ccc(OC)cc2)nnc1SCc1cccc(C)c1 13845156 QVYZDYMLKBKSRV-UHFFFAOYSA-N 369.490 4.486 0 40 FIAB O=C(/C=C\c1ccc2c(c1)OCO2)NCc1ccc2[nH]c3c(c2c1)CCCC3 15357149 AFTMXXGWHRCHKS-YFHOEESVSA-N 374.440 4.105 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccccc2)n1 15832401 KLBPZFQKAGQROO-QGZVFWFLSA-N 370.449 4.423 0 40 FIAB COc1ccc(OC)c(CN[C@@H](Cc2cccs2)c2nccs2)c1 19551707 CJVAATPSZBXOCV-INIZCTEOSA-N 360.504 4.295 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(C(=O)O)c1 20144212 RYYIOIUDZZGGAB-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 21596449 IEQMRFLJJGEAQR-UHFFFAOYSA-N 361.426 4.481 0 40 FIAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 22259257 GMUJWDUCGWSCOX-UHFFFAOYSA-N 374.506 4.139 0 40 FIAB O=C(COc1cccc(Cl)c1Cl)NCC1(c2ccccc2)CC1 22797866 DHXLHRBSSYINMY-UHFFFAOYSA-N 350.245 4.220 0 40 FIAB COc1ccc(-c2nc(COC(=O)c3c(C)noc3C(C)C)co2)cc1 22848167 RGNLSWXOXIECST-UHFFFAOYSA-N 356.378 4.127 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3ncnn32)cc1 26894603 DQRPXIQJPSCWTE-IRXDYDNUSA-N 369.266 4.495 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1 28403538 RLAWLKKEIZZCIO-HNNXBMFYSA-N 355.463 4.016 0 40 FIAB Cc1ccc2nc(C)cc(C(=O)NC[C@H](c3cccc(F)c3)N(C)C)c2c1 29836012 VMOPCGKXTMVNNM-OAQYLSRUSA-N 365.452 4.023 0 40 FIAB COCCOc1ccc(N[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 30505950 BWLNNTOPHZVLAF-MRXNPFEDSA-N 364.445 4.304 0 40 FIAB Cc1nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)oc1C 31815579 AORHWWRABQXXRJ-UHFFFAOYSA-N 363.439 4.285 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)c1C 32623293 GPALEAOEFVHBNA-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)c2ccccc2)cc1 36293451 ZSSIQJINQFNUEL-UHFFFAOYSA-N 364.470 4.186 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC 38755709 XTQZFXRCJCABCW-SNVBAGLBSA-N 353.390 4.101 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 38772008 UNIYUGCSUINOBG-QFIPXVFZSA-N 374.484 4.346 0 40 FIAB COCCN(Cc1ccccc1)C(=O)c1ccc(SC(F)F)cc1 40047249 RCJYMSZGDAKVPG-UHFFFAOYSA-N 351.418 4.290 0 40 FIAB Cc1cccc2c(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc(C3CC3)nc12 40106540 GJXWOZGFAJDFTH-UHFFFAOYSA-N 373.456 4.375 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2cccc(F)c2)c1 40283171 YFWMEDVCUVLLCU-HNNXBMFYSA-N 367.380 4.152 0 40 FIAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccccc2)cc1 40485860 KYSNOLMUKJWXSP-NRFANRHFSA-N 356.425 4.443 0 40 FIAB O=C(Nc1nncs1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 43129556 ZTVVNNUSAKQRSH-INIZCTEOSA-N 350.403 4.195 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(Br)cc1Cl 48227967 KQZLZSXVHILYCJ-AWEZNQCLSA-N 366.642 4.356 0 40 FIAB CCCn1ccc2cc(NC(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)ccc21 51420699 WFZUGYGEYNZGBJ-KRWDZBQOSA-N 369.509 4.275 0 40 FIAB Cc1csc(-c2ccc(C(=O)N(C)C3CCN(C(C)C)CC3)cc2)n1 58224402 MNXPGEHKKDKFOX-UHFFFAOYSA-N 357.523 4.063 0 40 FIAB COc1cc(CN(C)C(=O)Cc2ccc3c(c2)CCC3)ccc1SC 58772250 CDJKQNRSPWIMIV-UHFFFAOYSA-N 355.503 4.107 0 40 FIAB Cc1noc(CC2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)n1 67540562 RQIXMDUJKQCLEP-UHFFFAOYSA-N 366.465 4.105 0 40 FIAB Cc1cc([C@@H](C)NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)o1 67726240 RDCMRJUKMLSZKD-FOIQADDNSA-N 356.466 4.113 0 40 FIAB Cc1nccc(-c2ccc(-c3noc(CNC4CCCCCC4)n3)cc2)n1 72339983 MDKIYIPOOREMAJ-UHFFFAOYSA-N 363.465 4.314 0 40 FIAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)C2CCCC2)n1 72354822 DVEBOMXVDVKSNR-KRWDZBQOSA-N 370.884 4.233 0 40 FIAB Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc(Oc2ccccc2Cl)o1 96183815 IJWQKCFCVNWBQV-UHFFFAOYSA-N 373.840 4.348 0 40 FIAB O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1ccc(F)cc1 98086328 DCVBVHXNQMZLGK-WOJGMQOQSA-N 369.417 4.387 0 40 FIAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCCN(C)C)cc1 103391652 POVGDMXEDGPTGA-QURGRASLSA-N 367.518 4.409 0 40 FIAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1O 106703620 STVGPYXKXAETQW-BOPFTXTBSA-N 369.442 4.336 0 40 FIAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 117682980 CPNNNTHMABGFLD-GJZGRUSLSA-N 350.245 4.294 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccccc1C 219289464 MODWBVBOWORESA-WMZOPIPTSA-N 353.462 4.489 0 40 FIAB CSc1nnc(NC(=O)c2ccccc2OCc2ccccc2)s1 224241306 CBOSCXFYOCEZDI-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C)c(C)c1 224472141 ZUDBBCDOZARVJA-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB Cc1ccc(OCCNC(=O)CCCc2nc3cc(C)ccc3o2)c(C)c1 224950262 XZLZEDFSZHIITN-UHFFFAOYSA-N 366.461 4.271 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225570615 ORXKAKUCNPOTPF-UHFFFAOYSA-N 357.425 4.300 0 40 FIAB CCSc1nnc(NC(=O)c2cc(C(C)C)c(OC)cc2C)s1 225670726 VQALTHNAAONFFL-UHFFFAOYSA-N 351.497 4.343 0 40 FIAB CN(C(=O)c1cccc(OCc2ccccc2Cl)c1)[C@@H]1CCCC[C@H]1O 225779269 XGYCLSXZNTYJJD-WOJBJXKFSA-N 373.880 4.295 0 40 FIAB COc1ccc(C2(NC(=S)Nc3ncccc3C)CCCC2)cc1OC 225872019 GJQWXEHSQWNYMU-UHFFFAOYSA-N 371.506 4.163 0 40 FIAB NNc1nc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 226311636 LPIRNHPYNXYGJO-UHFFFAOYSA-N 374.469 4.353 0 40 FIAB Cc1ccc2c(c1)OC1(CCN(Cc3nccs3)CC1)[C@H]1CCCO[C@H]21 257210012 BSTSTTIXBRPQHX-FXAWDEMLSA-N 370.518 4.346 0 40 FIAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2Cc2nccs2)n1 257302525 SDFNKWPEZIVBIC-INIZCTEOSA-N 369.494 4.241 0 40 FIAB Cc1cccc(OC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 408722800 XFQAVOZGUQGBKM-UHFFFAOYSA-N 357.365 4.015 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)O)sc3c2)cc1 408750765 RJWNDGSOCUYMMT-UHFFFAOYSA-N 358.444 4.034 0 40 FIAB CCN(CC)c1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1 408814360 PHUUSGUYYNDFMQ-HNNXBMFYSA-N 364.445 4.130 0 40 FIAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCc2ccccc2Cl)=N1 408989441 KSRBALNGAYRICU-KRWDZBQOSA-N 371.893 4.033 0 40 FIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C(=O)O)cc3)c12 500642874 BGSSMGHXRNINJI-UHFFFAOYSA-N 373.368 4.149 0 40 FIAB Cc1noc(C2CC2)c1NC(=O)Nc1ccnc(OCc2ccccc2)c1 572259166 AJZMNNKYFIUHHO-UHFFFAOYSA-N 364.405 4.478 0 40 FIAB CC(C)c1ccc(O[C@@H](C)CNC2CCN(Cc3cscn3)CC2)cc1 585082910 NZOXMHXPXCLYQK-KRWDZBQOSA-N 373.566 4.288 0 40 FIAB CO[C@@H](C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)[C@H]1CCOC1 585100476 XXCPACKRCALMGI-OXJNMPFZSA-N 351.402 4.090 0 40 FIAB O=C(c1ccc(-c2ccsc2)cc1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827886990 GKMSSZDCXQIVIV-ROUUACIJSA-N 364.474 4.015 0 40 FIAB C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[C@H](C)C1 1664585578 DASBGDGKGSYGAC-NXEZZACHSA-N 355.809 4.168 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1Cl 636231 OBUYHORMCLZEDS-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cc(Cl)ccc1Cl 1623588 PVNFHQSXRNACFT-UHFFFAOYSA-N 355.061 4.422 0 40 FIAB O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1ccco1 1933856 DVYAYVBAPFRCIP-UHFFFAOYSA-N 358.463 4.098 0 40 FIAB CCOc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)cc1 2494814 ZCWYBAUKZJGUEY-UHFFFAOYSA-N 359.476 4.008 0 40 FIAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccccc1 4036364 ORMMFIYPLDBCJQ-UHFFFAOYSA-N 367.455 4.159 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2N=C3CCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1 4163536 MMKOILUKSWELQU-RDTXWAMCSA-N 368.399 4.237 0 40 FIAB CCOc1ccc(C(=O)Nc2c(C(=O)OC)sc3ccccc23)cc1 4176813 TYHVAIOADGOUBA-UHFFFAOYSA-N 355.415 4.339 0 40 FIAB O=C1O[C@H](C(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)Cc2ccccc21 4281997 XLYLEURJKJTYIS-AWEZNQCLSA-N 369.726 4.079 0 40 FIAB CC(C)c1ccc2nc(NC(=O)[C@@H]3COc4ccccc4O3)sc2c1 4348672 KURZBPYVNIJPEM-INIZCTEOSA-N 354.431 4.198 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nccn1C)c1ccccc1 4804119 WDCJHMJJCXRYID-GOSISDBHSA-N 367.474 4.209 0 40 FIAB O=C(/C=C/c1ccccc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4887912 KBMNODPKUWQSKX-LKNVEGBXSA-N 360.501 4.402 0 40 FIAB Cc1ccccc1Cn1c(CNC(=O)c2cccs2)nc2ccccc21 5235868 DMKFKBGIMUVZQX-UHFFFAOYSA-N 361.470 4.385 0 40 FIAB Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1CCN1CCCCC1 5274145 JCKJOZVFRUEUQJ-BUHFOSPRSA-N 374.488 4.307 0 40 FIAB CCOc1ccc(NN2C(=O)S/C(=C\c3ccc(C)cc3)C2=O)cc1 5376016 UJJPGTYFDNPQQY-ATVHPVEESA-N 354.431 4.457 0 40 FIAB COc1cccc2cc(-c3nnc(Nc4ccccc4)s3)c(=O)oc12 5929208 CEFSNPQFZQRZCU-UHFFFAOYSA-N 351.387 4.064 0 40 FIAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1F 6550011 MXFQPLAHDTXWFU-UHFFFAOYSA-N 353.422 4.259 0 40 FIAB CCCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 7668855 DKKRUQZWWAJNNR-UHFFFAOYSA-N 365.433 4.106 0 40 FIAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1 7882292 ZZEWVJHKMOKWQT-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 7988184 OBRSRXGGKBTSKZ-HNNXBMFYSA-N 372.428 4.327 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2ccc3ccccc3c2)c(C)c1 8087122 BISDDEGHEIETAT-UHFFFAOYSA-N 374.484 4.405 0 40 FIAB CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ncnc2ccsc12 8329095 ORBRGMOPYGNGTM-NSHDSACASA-N 357.460 4.013 0 40 FIAB Cc1ccc(C(=O)COC(=O)c2sc(-c3ccccc3)nc2C)cc1 8714570 QKJRWTMDZBEJGY-UHFFFAOYSA-N 351.427 4.467 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nncn2CCc2cccs2)cc1 8761881 HFOABKXDOJLMTM-AWEZNQCLSA-N 372.519 4.010 0 40 FIAB O=C(CSc1nnc2sc3ccccc3n12)c1ccc(F)cc1F 8779858 HPMVFYIVLUCDJS-UHFFFAOYSA-N 361.398 4.197 0 40 FIAB Cc1cccc(CSCC(=O)Nc2nc(-c3ccccn3)cs2)c1 9656820 IXYJFEBUYCJRRP-UHFFFAOYSA-N 355.488 4.385 0 40 FIAB Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2 9871179 JMYKTAGFWBWLBW-KRWDZBQOSA-N 357.841 4.027 0 40 FIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1Br 10221760 JUQKSGADDKTCIO-UHFFFAOYSA-N 362.242 4.440 0 40 FIAB O=C(CCc1nc2ccccc2s1)NCC1(c2ccccc2)CCC1 11178692 WFLXDYBQZBXDEK-UHFFFAOYSA-N 350.487 4.467 0 40 FIAB O=C1CCCC[C@H]1CCC(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188185 GUUKTXJDCKLVRA-FXAWDEMLSA-N 364.489 4.480 0 40 FIAB Clc1cccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c1 12668454 QRXMBPPCURPDJO-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB Cc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 12765070 AVRUDYJBIZWCQT-HSZRJFAPSA-N 371.440 4.156 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 12770886 IHOZVOBZJYBCHS-IBGZPJMESA-N 365.429 4.153 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)cc1 12804922 UVPAMSNUKLVHIL-HNNXBMFYSA-N 354.450 4.386 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3cc(F)cc(F)c3)s2)cs1 12897603 XHKKQTNZWGIYCM-UHFFFAOYSA-N 350.415 4.388 0 40 FIAB COc1ccc(NC(=O)CN2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 12987348 VCPLGSDSLJBGFJ-OAQYLSRUSA-N 368.477 4.260 0 40 FIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccccc1F 12991511 UBUKRIFEUNVHLR-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccc(F)cc3)s2)cc1 12995396 YBMAXIWTDYNRQS-UHFFFAOYSA-N 370.449 4.408 0 40 FIAB Cc1ccccc1N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 13039611 XOROTLMPALHAQC-UHFFFAOYSA-N 363.288 4.193 0 40 FIAB O[C@H](CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 14137624 XJPNGAYWVUJTDH-GFCCVEGCSA-N 373.787 4.227 0 40 FIAB CCOc1ccc(NC(=O)c2cc(Br)ccc2OCC)cc1 14654419 RHMVIGREFYEELY-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 16311264 PZLPRFYUNGCNHN-FZKQIMNGSA-N 352.881 4.138 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 17064503 WRWHJBRRQVDIGF-UHFFFAOYSA-N 358.157 4.398 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)NC3CCCCCC3)cs2)cc1 18183726 ZANNJEHGJHUCHF-UHFFFAOYSA-N 358.507 4.412 0 40 FIAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 20197088 BMSNZQBGSQGKJG-UHFFFAOYSA-N 367.474 4.262 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCc2sccc2C1 21419860 RTULWPNRLZJOFX-NSHDSACASA-N 354.397 4.152 0 40 FIAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC(C)CC3)c(O)n2n1 22853328 OMDFIRCILOQKDW-QGZVFWFLSA-N 370.522 4.189 0 40 FIAB O=C(NCC[C@H]1CCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12 23876157 XWUBXHRHSQEAFT-QGZVFWFLSA-N 364.420 4.340 0 40 FIAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc2c(nc3sccn32)s1 29353292 MFYCDPXAXVSJNL-UHFFFAOYSA-N 371.472 4.314 0 40 FIAB c1coc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)c1 29974564 XUNGTQLNZQJIEJ-UHFFFAOYSA-N 366.446 4.319 0 40 FIAB C[C@H](CN1CCOCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 31649085 BNHRDNXAMJPELQ-UZLBHIALSA-N 351.918 4.076 0 40 FIAB COC(=O)c1c(NC(=O)C2=Cc3ccc(C)cc3OC=C2)sc(C)c1C 33321308 RAEYJUSHOBAFCA-UHFFFAOYSA-N 369.442 4.388 0 40 FIAB COc1cc(-c2nc3cnccn3c2Nc2ccc(C)cc2C)ccc1O 35615778 CGTGTLZCVZWLQP-UHFFFAOYSA-N 360.417 4.471 0 40 FIAB CCCCn1nc(C)c2c(C(=O)Nc3c(C)noc3C)cc(C3CC3)nc21 36616907 NGHKTKYSMMNLIW-UHFFFAOYSA-N 367.453 4.274 0 40 FIAB CNC(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618531 RYRJBGJYHXCTCR-UHFFFAOYSA-N 353.378 4.117 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)C1CCCC1)c1ccccc1 39995060 DBQABYFJZLIVMP-FQEVSTJZSA-N 367.445 4.499 0 40 FIAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 40069768 OYKSIWXPMRRCTB-GWCFXTLKSA-N 363.244 4.001 0 40 FIAB CSc1nccn1-c1cccc(C(=O)Nc2nc(C3CC3)cs2)c1 40141917 PRWYTRICERDXOI-UHFFFAOYSA-N 356.476 4.180 0 40 FIAB O=C(c1ccc(Oc2ccccc2Br)nc1)N1CCCCC1 44812018 MYZURCFVIUIIOO-UHFFFAOYSA-N 361.239 4.263 0 40 FIAB Fc1ccc(Oc2ccc(CNCc3cccc4c3OCO4)cn2)cc1 48742274 LAIZRVSOKKCPSV-UHFFFAOYSA-N 352.365 4.032 0 40 FIAB COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(c3ccccc3)CC1)C2 49037726 PUIMXWDMXXGCOQ-SFHVURJKSA-N 365.473 4.366 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 52165963 RWACFXYLNWJXPK-OAQYLSRUSA-N 366.436 4.138 0 40 FIAB O=c1c2cc(-c3ccccc3)nn2ccn1Cc1cccc(C(F)(F)F)c1 64977494 IZOJDCMDQPDNDR-UHFFFAOYSA-N 369.346 4.230 0 40 FIAB CCn1c([C@H](C)NC(=O)c2cc(C)n(C3CC3)c2C)nc2ccccc21 68295469 WLXYBUCKRVYWFO-AWEZNQCLSA-N 350.466 4.300 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(-c2cc(Cl)ccc2O)n[nH]1 72238532 XHCZPWITEXOCFG-UHFFFAOYSA-N 357.797 4.087 0 40 FIAB CC(C)n1c([C@@H]2CCCN2CC(=O)N2CCCCCC2)nc2ccccc21 72308896 XIVQGWALGCJJEA-FQEVSTJZSA-N 368.525 4.157 0 40 FIAB Cc1noc(NC(=O)NC2(c3cccc(Br)c3)CCC2)c1C 72309644 IHXDZDJYGMYMDS-UHFFFAOYSA-N 364.243 4.255 0 40 FIAB Cc1ccc(CNC(=O)c2cnc([C@@H]3CCCO3)s2)c(OCC2CC2)c1 89775515 HOFLHXCUNKLDJY-INIZCTEOSA-N 372.490 4.022 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)CCC(=O)c1ccc(F)cc1 95348827 NVCWJUNRUOGJJE-LJQANCHMSA-N 356.441 4.271 0 40 FIAB Cc1c(-c2nnc3sc(COc4ccccc4)nn23)oc2ccccc12 96194301 NPRCTSYHDASBBJ-UHFFFAOYSA-N 362.414 4.486 0 40 FIAB O=C(NC1CC1)[C@@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96241654 QKSJXFSKMLPVMZ-LJQANCHMSA-N 366.530 4.048 0 40 FIAB Cc1nn(CCCNC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)cc1Cl 102612157 KECOKJHVNUVOHU-DSOJJBLGSA-N 363.933 4.348 0 40 FIAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 103045873 LESLNBQDZZRTFF-BZUAXINKSA-N 366.427 4.180 0 40 FIAB Cc1noc(C)c1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103988490 BOTQAJUKGXIHQG-QJRTVWDNSA-N 367.287 4.354 0 40 FIAB S=C(NCCCc1ccccc1)Nc1ccc(N2CCCCCC2)nc1 223964196 SVJMUOMHGORWEP-UHFFFAOYSA-N 368.550 4.381 0 40 FIAB Oc1cccnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCC1 223977733 BDSFHWSVAQLQEW-UHFFFAOYSA-N 361.898 4.239 0 40 FIAB CCc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 224096050 AAEAZUFTYLEAGY-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC1CCCCC1 225187273 VKJDPPAKOSULFZ-SFHVURJKSA-N 364.917 4.306 0 40 FIAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NC1CCCCC1 225217488 FOUHEUNBDKSAQV-IBGZPJMESA-N 362.489 4.182 0 40 FIAB COc1ccc(OC[C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225267885 YCEDYSOBEQUUQP-HNNXBMFYSA-N 374.506 4.236 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCN(C)c2ccccc2)c1 225471085 AWVQYOXKZBGMCF-GOSISDBHSA-N 354.494 4.138 0 40 FIAB Cc1cccc(CSCCCNC(=S)Nc2ccc3c(c2)OCO3)c1 225603411 PRHXCTFCWLRVAN-UHFFFAOYSA-N 374.531 4.334 0 40 FIAB CC[C@@H](CNC(=S)Nc1cccc(C(=O)OC)c1)Cc1ccccc1 225632288 SJPZRCPNHASXKX-OAHLLOKOSA-N 356.491 4.029 0 40 FIAB O=C(NCC1CCN(c2cccnc2)CC1)c1cc(Cl)ccc1Cl 225655065 GFCJKVKZXRSNRY-UHFFFAOYSA-N 364.276 4.035 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225833705 HHNSIJGVAKPBIE-BEFAXECRSA-N 357.450 4.047 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2oc1=O 226042270 GKJQSPPXRQEFRD-CYBMUJFWSA-N 355.821 4.198 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 408679102 IIJBRZHIISQVJH-KRWDZBQOSA-N 368.477 4.239 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)c1C 408708612 RFIZFULSWOJMCE-FQEVSTJZSA-N 364.489 4.096 0 40 FIAB CCCCCC1=NN(C(=O)CCc2ccccc2)[C@](O)(C(F)(F)F)C1 408734000 BKUMAZOKCDCEKU-QGZVFWFLSA-N 356.388 4.039 0 40 FIAB COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1O 408838471 FPNGGNDBNGKBJH-AWNIVKPZSA-N 364.184 4.052 0 40 FIAB COc1cccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1OC 409128990 LMUWWVFTEXPYDW-LFIBNONCSA-N 361.463 4.320 0 40 FIAB COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc12 409238764 BMHRGMVTRAWBHT-DEDYPNTBSA-N 372.424 4.250 0 40 FIAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)CC3CC(C)(C)C3)C2)cc1 583276750 PFEGGRIKEDDVAC-KRWDZBQOSA-N 371.525 4.181 0 40 FIAB CC[C@@H](NC(=O)c1ncnc2sccc12)c1nc(C(F)(F)F)cs1 611741961 QAZMZDBGUOOPLT-MRVPVSSYSA-N 372.397 4.048 0 40 FIAB CCOC(=O)c1cnc2cc(OCc3ccc(OC)cc3)c(OC)cc2c1 1857793901 SBCCOEARZNLRFG-UHFFFAOYSA-N 367.401 4.008 0 40 FIAB CCOC(=O)c1c(Cl)cc(-c2c(F)cccc2OC)n(C(C)C)c1=O 1857794394 WXIDBZXCCCFJLL-UHFFFAOYSA-N 367.804 4.074 0 40 FIAB O=C(N[C@@H](CO)c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2 632284 WEYVKMUPSGTKSZ-DEOSSOPVSA-N 371.480 4.034 0 40 FIAB COC(=O)c1c(C)n(CCOc2c(C)cc(C)cc2C)c2ccc(O)cc12 718465 LDCKINYWTQWVHS-UHFFFAOYSA-N 367.445 4.446 0 40 FIAB CC(C)OC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 1332715 CPBZXDSTWZXNHA-UHFFFAOYSA-N 362.520 4.491 0 40 FIAB C[C@H]1C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 1381845 CTPWRAXATNYHQB-KRWDZBQOSA-N 356.425 4.269 0 40 FIAB CC(=O)O[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 1701274 AHLVYOADQOSJBO-IRLDBZIGSA-N 351.446 4.028 0 40 FIAB Cc1ccc(OCc2nn3c(-c4ccccc4Cl)nnc3s2)cc1 2380682 IQXHTIIUMAJJLO-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB CNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccc(C)cc1 2478282 FTUOKUCQVCAMLG-UHFFFAOYSA-N 362.838 4.178 0 40 FIAB COc1ccc2[nH]cc([C@@H]3CC(c4ccc(Br)cc4)=NN3)c2c1 4940495 KUDRUKOMLRZGDK-SFHVURJKSA-N 370.250 4.378 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2c(Cl)cccc2Cl)nc1C 5473928 VXXLNKHWDVDFIC-UHFFFAOYSA-N 359.234 4.187 0 40 FIAB Cc1cc(Br)ccc1NCC(=O)Nc1ccccc1Cl 5687584 ICNFIMNDCJERSZ-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB C[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1Oc1ccccc1 6351397 NTEZAWCGMJXADJ-INIZCTEOSA-N 353.418 4.037 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 6809786 UTLMMPGDOBMLBD-UHFFFAOYSA-N 351.402 4.408 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(F)cc1 6883013 ICKSPCPZIBWCPW-UHFFFAOYSA-N 365.842 4.216 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 7692612 CNJGBOQUMFAEQE-NRFANRHFSA-N 365.454 4.235 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(Cl)c2)c(C)n1 8050600 WEMWLXBUEZSJPU-LLVKDONJSA-N 363.914 4.279 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)NC2CC2)cc1 8272107 NLTVVUGIPQGZNU-UHFFFAOYSA-N 351.837 4.393 0 40 FIAB O=C(OCc1nccn1C(F)F)c1cc2c(s1)-c1ccccc1OC2 8704657 NBAREDSDPAOYOQ-UHFFFAOYSA-N 362.357 4.256 0 40 FIAB Cc1noc(C)c1CN(C(=O)COc1cccc(F)c1)c1ccccc1 8923861 RIRKALUWGYWEJY-UHFFFAOYSA-N 354.381 4.043 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2nnc(-c3cccc(C)c3)o2)c1C 9578760 JWEPFSJVJMYABQ-CQSZACIVSA-N 367.405 4.111 0 40 FIAB O=C(CS(=O)(=O)c1ccccc1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9614862 STLLSCLUBHZGGU-HNNXBMFYSA-N 369.269 4.004 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccnn1Cc1cccs1 9882884 IDNKXCKQCDCUQC-UHFFFAOYSA-N 364.430 4.209 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 10336125 WAPXLYRMYXINDO-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB Cc1onc(-c2ccncc2)c1C(=O)N1CCn2c(C)ccc2[C@@H]1C(C)C 12325594 JSBWKPGCBLJJRC-FQEVSTJZSA-N 364.449 4.008 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccoc2C)n1C)C(=O)Nc1ccc(F)cc1 12622142 IJATXKNQOWDGNS-OAHLLOKOSA-N 374.441 4.032 0 40 FIAB c1ccc(COc2cccc(CN3[C@H]4CC[C@@H]3c3cccnc3C4)c2)nc1 13267905 PERVUGLBHAGGGN-WMZHIEFXSA-N 357.457 4.317 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Sc1ccc(C)cc1 14023434 HXIJIXYTFGPHFQ-ZDUSSCGKSA-N 358.463 4.081 0 40 FIAB C[C@H](NC(=O)CSc1ncnc2sccc12)c1cc2ccccc2o1 14067079 CYANQEQPHDJGLP-NSHDSACASA-N 369.471 4.407 0 40 FIAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cccc(Br)c1 14076318 AVHWAVCRNCCCQO-UHFFFAOYSA-N 374.263 4.149 0 40 FIAB COc1cc2c(cc1NC(=O)CSc1nnc(C)o1)oc1ccccc12 14136648 FKJHPWLVXPEDSQ-UHFFFAOYSA-N 369.402 4.017 0 40 FIAB O=C1C[C@H](c2ccccc2O)Cc2c1cnn2-c1nc2ccccc2s1 14164293 IAMMKMMOVWSKLD-GFCCVEGCSA-N 361.426 4.100 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)CSc1nc2ccccc2o1 15091639 GGBLHDOQNUDRGH-UHFFFAOYSA-N 369.471 4.188 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(CCC(C)=O)cc1 15369482 LXCHJZGZQKFSBQ-INIZCTEOSA-N 355.434 4.013 0 40 FIAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)c1ccc(F)cc1 16307154 JNOOAHXCWCPXTA-SFHVURJKSA-N 365.408 4.029 0 40 FIAB CC(C)Cc1nnc(NC(=O)Cc2csc(-c3cccs3)n2)s1 17341765 JSQHHYGORZZZMV-UHFFFAOYSA-N 364.521 4.103 0 40 FIAB CCOc1ccc2oc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)c(C)c2c1 18098754 IBAUCWJGKZYMNE-OKILXGFUSA-N 373.449 4.086 0 40 FIAB C[C@@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(CN2CCCCCC2)cc1 19457395 YZAGXEGBZZZUBE-INIZCTEOSA-N 374.916 4.187 0 40 FIAB CCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)O[C@@H](C)C2 19532559 FREIJDIUYBPUAJ-TWOQFEAHSA-N 370.493 4.206 0 40 FIAB CCOc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1OC 19533812 SRQWDDMZRFNKAK-SFHVURJKSA-N 365.477 4.350 0 40 FIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C(=O)c1c[nH]c2ccccc12 19625063 WKSPBMVVAGLNOI-UHFFFAOYSA-N 350.462 4.025 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1Cl 20029811 YAYPZLOKTTYKNG-SNVBAGLBSA-N 360.262 4.042 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccsc1 22401425 IJJSBELUPYYOHR-UHFFFAOYSA-N 351.453 4.283 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NC3(c4noc(C)n4)CCCCC3)cc2c1 23508578 BQGKIWRIQLCRAA-UHFFFAOYSA-N 364.449 4.132 0 40 FIAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(C)cc3)oc12 24992064 KYWBJEOGRSLMRU-AWEZNQCLSA-N 359.447 4.179 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 26316108 OUYUCQIFPUUADG-HOTGVXAUSA-N 353.466 4.383 0 40 FIAB CCc1ccc(CCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27605235 ZXRGKYNLZVYHQH-IBGZPJMESA-N 356.535 4.196 0 40 FIAB Cc1cc(C(=O)Nc2ccc(-n3cc(Br)cn3)cc2)c(C)o1 27918046 JHHWIZVIEZFUNS-UHFFFAOYSA-N 360.211 4.097 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccc(Cl)cc1 29651936 VQPZFNXEEBFYSJ-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB COc1ccc(SCC(=O)NCCSCc2ccccc2C)cc1 30850644 SOYGXBJKADTPJB-UHFFFAOYSA-N 361.532 4.145 0 40 FIAB Fc1cc(CSc2nnnn2-c2cccc(Cl)c2)c2ncccc2c1 31616926 PFCJHEJJVMJROR-UHFFFAOYSA-N 371.828 4.295 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1c1ccc(Cl)cc1 32796216 VZRWTKIJRQXWMZ-KRWDZBQOSA-N 353.805 4.424 0 40 FIAB CSc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 32815118 XWQKHRBQPSUYCL-UHFFFAOYSA-N 352.463 4.365 0 40 FIAB Cc1ccc(N2C(=O)/C(=C/c3csc(C)n3)c3ccccc3C2=O)cc1 33039483 UXKCTPYWTGEJJN-YBFXNURJSA-N 360.438 4.488 0 40 FIAB O=C(Cc1coc(-c2ccccc2)n1)OCc1csc(-c2ccco2)n1 37143128 RJTQMFSZPNMFMW-UHFFFAOYSA-N 366.398 4.344 0 40 FIAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(/C=C/c3cccs3)c12 40388586 YLZIOMJFNRVCAW-BQYQJAHWSA-N 372.453 4.244 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 44904031 SGNCEPAQANGQKA-HNNXBMFYSA-N 352.203 4.384 0 40 FIAB Cc1noc(C2CCN(C(=O)c3oc4c(Cl)cccc4c3C)CC2)n1 54663960 GOEYMGVYIDVBBN-UHFFFAOYSA-N 359.813 4.106 0 40 FIAB CCOC(=O)C[C@@H](NCc1ccc(OC)c(OCC)c1)c1ccc(C)cc1 55399204 LGCHBNXZUXDFSH-LJQANCHMSA-N 371.477 4.186 0 40 FIAB CC[C@H](C)N1COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C1 57135511 QYRGTDJDSNPGQZ-AWEZNQCLSA-N 365.429 4.419 0 40 FIAB biogenic Cc1nc(C(C)(C)C)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 61199244 ABGOTEKFVVLLOC-UHFFFAOYSA-N 364.515 4.095 0 40 FIAB CCC(CC)CN(CC)C(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C 63303543 WHWFECUTPFRZSF-SFHVURJKSA-N 368.468 4.004 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 65492751 WBVSOEJLTFEGPO-LLVKDONJSA-N 358.492 4.431 0 40 FIAB Fc1ccccc1[C@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)CCO1 66846821 DNONSMUHTZMAQD-QGZVFWFLSA-N 373.815 4.103 0 40 FIAB Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1F 69450146 KLPKXWMJEOBOMY-KRWDZBQOSA-N 367.380 4.110 0 40 FIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(Br)cc2)cc1 72328935 PBYJMKJVOFBVBM-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB O=C(Cn1c(C2CC2)nc2ccccc21)NCCCc1c[nH]c2ccccc12 84590683 MONNLGWQWKCUJV-UHFFFAOYSA-N 372.472 4.144 0 40 FIAB CCOc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)c1 89269920 QQXSVVZNZGELFG-QGZVFWFLSA-N 350.374 4.263 0 40 FIAB Cc1cc(NC(=O)CCc2ccc3[nH]ccc3c2)ncc1Br 95988340 RZGOOMRYQWGAJO-UHFFFAOYSA-N 358.239 4.205 0 40 FIAB O=c1c(C2=NCCCCC2)c2[nH]c(-c3ccccc3)cn2n1-c1ccccc1 102626358 KSVZQAFWMBKDOQ-UHFFFAOYSA-N 370.456 4.448 0 40 FIAB COc1ncc(C)cc1NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 174995373 RMJPXHPEQLQZFF-OAHLLOKOSA-N 368.462 4.377 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC(C)C 222799415 ZJDIZNQUHKCZBM-OAHLLOKOSA-N 359.297 4.035 0 40 FIAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccccc2F)CC1 223087088 SIFBQKUFNBAIGZ-UHFFFAOYSA-N 368.496 4.175 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 224091290 UHJZZDOWUBJPAJ-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCCCNC(=O)c1ccc(OCC)c(COc2ccc(OC)cc2)c1 224595270 SBNXSTVXRLKOME-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB Cc1ccccc1CSCCNC(=S)Nc1c(F)cccc1F 225361613 ZRYGMYZYHYVYTM-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB CC(C)OCCCNC(=S)Nc1ccc(Br)c(Cl)c1 225375203 GQQHQFLUQZUDCE-UHFFFAOYSA-N 365.724 4.204 0 40 FIAB CCN(CC)CCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1 225630537 JXAOOSMYGSHIRX-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1C 225769497 HHNYPUWQCMUADB-CYBMUJFWSA-N 365.524 4.309 0 40 FIAB CCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cn1 225861011 UFZSSGLAKWQHBL-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB CCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 408624349 HBEVDHBKBYPXGF-UHFFFAOYSA-N 367.470 4.481 0 40 FIAB COc1ccc(C(=O)NOCCOc2ccccc2)cc1-c1ccccc1 1159229293 ZZJXWKLOVZRZMD-UHFFFAOYSA-N 363.413 4.103 0 40 FIAB Cc1ccc(C2(C(=O)NC[C@H](O)c3ccc(OC(C)C)cc3)CCC2)cc1 1566311705 QFPKNIIVLDAUKQ-NRFANRHFSA-N 367.489 4.054 0 40 FIAB O=C(Nc1ccc(O)cc1)c1cc(Br)ccc1Br 682478 JVJQKSIPJNIION-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB C[C@@H](Nc1nc2nonc2nc1N[C@H](C)c1ccccc1)c1ccccc1 845953 XXWLNPQINRPUAG-ZIAGYGMSSA-N 360.421 4.359 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Br)o1 1284943 SWYYWUNGBDZFBK-UHFFFAOYSA-N 356.245 4.194 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2ccc(Cl)cc2)c1=O 1503248 RTUSVVSHXVUMBE-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1csc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)n1 2621667 NQAYBKTVHBHABD-INIZCTEOSA-N 373.522 4.142 0 40 FIAB CC(C)[C@@H](C(=O)Oc1cccc2ccccc12)N1C(=O)c2ccccc2C1=O 2642053 FMTFVLJFFOMVPZ-FQEVSTJZSA-N 373.408 4.066 0 40 FIAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041221 ZDNJCYDHNWCELG-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(O)cc1 3271673 OFXLTFLSYOUBTP-UHFFFAOYSA-N 359.466 4.043 0 40 FIAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 3272339 DCTOCBCFNLBYKK-NRFANRHFSA-N 360.365 4.196 0 40 FIAB COc1ccccc1C1CCN(C[C@@H](O)CSc2cccs2)CC1 4276668 RIZNENMNVRGEFT-MRXNPFEDSA-N 363.548 4.089 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)[nH]c2c1 4484690 MHWLUWCEXPLFNJ-STQMWFEESA-N 367.474 4.030 0 40 FIAB Cc1ccc(NC(=O)C[C@@H](C)CC(=O)NCc2ccccc2)cc1Cl 4690634 SXVRGYSFQTZPFO-AWEZNQCLSA-N 358.869 4.320 0 40 FIAB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@]2(C)C(=O)C1 4775100 XYNRKPILEBARLO-KEDWBGHQSA-N 360.494 4.099 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 5167251 MTSLFKWJINJVBO-ZCPXKWAGSA-N 358.478 4.019 0 40 FIAB Clc1ccc(CSc2nnc3ccc(-c4ccncc4)nn23)cc1 5168530 QHCXGNVZGBWWAX-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB COCCOc1cc(NC(=O)c2cccc(OC)c2)c(Cl)cc1Cl 5355870 HHGZPBGCBCECCP-UHFFFAOYSA-N 370.232 4.280 0 40 FIAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 5483543 ZAYNQKHCZZERHP-UHFFFAOYSA-N 374.227 4.100 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(C)cc1 5499336 OBKOYZRPNREZQK-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB COc1cccc(/C=C/C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1OC 6078683 URTAWSIEBLEWHY-MDZDMXLPSA-N 368.429 4.068 0 40 FIAB CCOc1ccc(C2=C[C@H](c3ccccc3)N3C(=O)CSC3=N2)cc1 6207543 CEFLUFQITITMSC-GOSISDBHSA-N 350.443 4.113 0 40 FIAB O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 6221341 DOGZZABPZQPAAL-UHFFFAOYSA-N 363.244 4.050 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 8037110 SNPLJYXFXGAZJF-UHFFFAOYSA-N 361.445 4.031 0 40 FIAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1cc(Br)ccc1O 8642183 BIIVGWIQWGZLQS-DREOGWFYSA-N 370.202 4.164 0 40 FIAB Cc1ccc(Nc2nc(N)nc(CN(C)c3ccc4ccccc4c3)n2)cc1 9125606 XDBUFAOQWIRYQX-UHFFFAOYSA-N 370.460 4.295 0 40 FIAB Cc1ccccc1-n1c(SCCc2ccncc2)nnc1-c1cccnc1 12533885 JTRQUIJLHPMLBT-UHFFFAOYSA-N 373.485 4.368 0 40 FIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@H](C)c3cccnc3)c(C)c12 12588034 SFKJYYXTNNUYQN-GFCCVEGCSA-N 368.506 4.492 0 40 FIAB COc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2OC)cc1Cl 12728949 XOBLYBYMZPMXSV-UHFFFAOYSA-N 361.825 4.267 0 40 FIAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 12792552 ZSUVCAPARBJFFE-TXEJJXNPSA-N 365.449 4.152 0 40 FIAB C/C=C/c1ccc(OCC(=O)N2CC=C(c3ccccc3)CC2)c(OC)c1 12802948 MDXRVXKDSZVPMS-XVNBXDOJSA-N 363.457 4.423 0 40 FIAB Cc1nn(CN(C)C(c2ccccc2)c2ccccc2)c(=O)c2ccccc12 12819824 LWCHQZANLOMOGM-UHFFFAOYSA-N 369.468 4.384 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)Nc3cc(F)cc(F)c3)cs2)cc1 12917509 VKTBMFTWSFGULZ-UHFFFAOYSA-N 374.412 4.490 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 12975121 BWDKEIHXRHDFHI-HXUWFJFHSA-N 359.853 4.167 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\Nc3cc(C)on3)c3ccccc3C2=O)c(C)c1 13125559 CBEJLLRBYZTXAM-PDGQHHTCSA-N 373.412 4.240 0 40 FIAB COc1cc2s/c(=N\C(=O)c3cccc(Cl)c3)[nH]c2c2cccnc12 13689387 NISBOUHLSVCWLW-UHFFFAOYSA-N 369.833 4.181 0 40 FIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccsc2)c(C(F)(F)F)c1 14094448 OAZUFKDPTYSLNX-GORDUTHDSA-N 354.353 4.377 0 40 FIAB C[C@H]1CN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCO1 14168659 DTNNDKGXAWOYBR-AWEZNQCLSA-N 361.894 4.493 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSC1CCCCC1 14398170 NJDXCIPFPOFVRY-SFHVURJKSA-N 351.512 4.035 0 40 FIAB COc1cc2c(cc1O)C(=O)[C@H](C)[C@H](C)[C@H]2c1ccc(OC)c(OC)c1 14726857 DRKPZVVNEGETTG-ZBUHCNDUSA-N 356.418 4.018 0 40 FIAB biogenic,in-vitro CCCCNc1nnc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)s1 14781221 QLCBFEZSRROICK-SECBINFHSA-N 357.451 4.392 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14796220 RLVLTQQCUMHRSS-ZIAGYGMSSA-N 374.868 4.274 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC12CC3CC(CC(C3)C1)C2 15576678 CKQGYWSDZNNTLG-DSQUVOCVSA-N 364.489 4.036 0 40 FIAB O=C(CCSc1ccccc1F)Nc1cccc(N2CCCC2=O)c1 16106221 SAIYWMDNGATPEO-UHFFFAOYSA-N 358.438 4.073 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cccnc2SCc2cc(C)on2)cc1 17334856 GLPIOMDWYDBJQH-UHFFFAOYSA-N 367.430 4.125 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@H]1c1ccc(Cc2ccc(C)cc2)cn1 19688504 USJOTXBIUZIVKW-FQEVSTJZSA-N 352.478 4.069 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(OC)cc1)c1ccc(OC)cc1 20039595 JAOILKCPRWIGME-AUUYWEPGSA-N 359.491 4.452 0 40 FIAB CCc1c(C)n(Cc2ccc(Cl)cc2)c2nc3ccccc3n2c1=O 20674459 HUPAQPLTBQXYEP-UHFFFAOYSA-N 351.837 4.222 0 40 FIAB CC[C@H](C)c1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1 24070348 IXFHJXIUTIRKDH-ZDUSSCGKSA-N 360.479 4.268 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(C)c2)c1C 24829258 BQHGBECRZVQRQB-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB CCCOc1c(Cl)cc(C(=O)Nc2nnc(C(C)C)s2)cc1OC 25323872 ZBSKAYVCLHIMDD-UHFFFAOYSA-N 369.874 4.365 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(F)(F)F 27978089 HXSDJWLHUTZHAS-CQSZACIVSA-N 367.323 4.230 0 40 FIAB Cc1cccc(Nc2ccccc2C(=O)NC2CCN(C3CC3)CC2)c1C 29092105 SZZYPILNWZTRPP-UHFFFAOYSA-N 363.505 4.404 0 40 FIAB NC(=O)c1cc(Cl)ccc1OCc1coc(-c2ccc(Cl)cc2)n1 31078813 KRHNSEQPSXTAQX-UHFFFAOYSA-N 363.200 4.326 0 40 FIAB CCOC(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)CC1 32379622 HHJHTGNLPNTTIC-FQEVSTJZSA-N 372.509 4.293 0 40 FIAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc(Cl)c1 32687112 HOVRFVRNBQGHEE-CYBMUJFWSA-N 365.882 4.015 0 40 FIAB CC(=O)c1cccc(NC(=O)Cc2csc(COc3ccccc3)n2)c1 33326285 SUZCLZYQGMSXNX-UHFFFAOYSA-N 366.442 4.106 0 40 FIAB COc1cc2cc3c(N)c(C(=O)c4ccccc4)sc3nc2cc1OC 35312308 CKYAXKRJVNVSSX-UHFFFAOYSA-N 364.426 4.280 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccccc2F)CC1 39744742 CKYBPBUBQHYEPD-GOSISDBHSA-N 368.496 4.175 0 40 FIAB CN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852301 LFORZQRVKFZDLC-UHFFFAOYSA-N 365.380 4.321 0 40 FIAB CC(=O)c1cccc(NC(=O)C[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 40644218 KFBBNHCMIUUZBL-LJQANCHMSA-N 365.429 4.183 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)cn2)cc1 44810136 XCWOEYDXGSZFBR-LJQANCHMSA-N 374.396 4.423 0 40 FIAB CCc1ccc(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44875414 WVRQCJIIWFQOKM-UHFFFAOYSA-N 364.533 4.484 0 40 FIAB CN1C(=O)N(Cc2csc(C3CCCCC3)n2)C(=O)C12CCCCC2 47353597 QFRZJXNQFYOIEC-UHFFFAOYSA-N 361.511 4.288 0 40 FIAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 48276695 OWAMEJQGEAFXHE-KRWDZBQOSA-N 369.465 4.487 0 40 FIAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3nnc4ccccn34)co2)cc1 48287036 HTAUEKCFMHUAJY-SFHVURJKSA-N 359.433 4.030 0 40 FIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 52410716 LLTMWZFLURVJHL-UHFFFAOYSA-N 367.232 4.359 0 40 FIAB CC[C@@H](NCC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 57435038 KMQYZFNZEAHMNK-QGZVFWFLSA-N 373.294 4.079 0 40 FIAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1C 58167723 IIGYBBCZUUGHJJ-UHFFFAOYSA-N 366.870 4.052 0 40 FIAB COc1ccc2c(c1)CCN2C(=O)c1sc(NC(=O)C(C)(C)C)cc1C 58716584 XCMKFZHFZTUPGR-UHFFFAOYSA-N 372.490 4.253 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)NCc3cc4ccccc4[nH]3)cc12 58902035 KRMMPOKJUDADDO-UHFFFAOYSA-N 366.490 4.474 0 40 FIAB COC(=O)c1sccc1NC(=O)[C@@H](C)Oc1cccc(C(C)(C)C)c1 59274801 ZCMNBWXWAVEPAX-GFCCVEGCSA-N 361.463 4.238 0 40 FIAB C[C@@](O)(CCc1ccccc1)CNC(=O)Nc1ccc(Cl)c(Cl)c1 62021541 XUJVHHUOQKUFNL-GOSISDBHSA-N 367.276 4.499 0 40 FIAB COc1cccc(/C=C/C(=O)NC2(c3nc(C(C)C)no3)CCCCC2)c1 65257775 SVFJXPHYJALBAM-ZHACJKMWSA-N 369.465 4.191 0 40 FIAB Cc1cc(NC(=O)N[C@@H]2CCSc3c(F)cccc32)n(C(C)(C)C)n1 68579486 HQQAPBHWKWRBAP-CQSZACIVSA-N 362.474 4.444 0 40 FIAB O=C(c1csc(NC2CC2)n1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72401468 SLYJMGZAXHZQOE-UHFFFAOYSA-N 372.881 4.051 0 40 FIAB O=C(C1=Cc2ccccc2OC1)N(Cc1cccs1)CC(F)(F)F 74807785 QYIXQYSCUVRPMP-UHFFFAOYSA-N 353.365 4.115 0 40 FIAB CC(C)[C@H](OC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)NC(C)(C)C 89775847 OBDXLMMYAJTZMM-IBGZPJMESA-N 368.477 4.208 0 40 FIAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c(OC)c1 100834933 IRRYFXGMZANLDH-KRWDZBQOSA-N 368.824 4.005 0 40 FIAB CCOc1ccc(Br)cc1C(=O)CC(=O)c1ccccc1O 113704313 NWDTUFZEKIOCFY-UHFFFAOYSA-N 363.207 4.009 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1Cl)CC(C)(C)O2 218850321 DJPMGVGNURTCID-MRXNPFEDSA-N 359.853 4.446 0 40 FIAB COCc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 224537348 UVFQYIKUDNUSGY-UHFFFAOYSA-N 372.896 4.337 0 40 FIAB O=C(Cc1csc(-c2cccnc2)n1)OCc1cc2ccccc2o1 225496493 HMDSZDUOCKESKH-UHFFFAOYSA-N 350.399 4.237 0 40 FIAB COc1ccccc1CCCNC(=S)Nc1cccc(OC(C)C)c1 225551318 RHJIAJYIXUXOKJ-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB COC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC(C)CC1 225640293 LCDSFXZAYNQNGT-UHFFFAOYSA-N 374.525 4.085 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 225762198 KSGMMTXFPRRRPQ-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 243658610 PBLVCSSDBFCSMW-LJQANCHMSA-N 364.489 4.420 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1 251936222 RZEPRTVUQMGPHV-SQGPQFPESA-N 368.477 4.205 0 40 FIAB COC(=O)c1ccc(CSc2nc(C)cc(-c3ccc(C)cc3)n2)o1 408557627 PTQXSHGQXSQZNH-UHFFFAOYSA-N 354.431 4.432 0 40 FIAB O=C(NC1CCC(F)(F)CC1)c1ccnc(-c2ccc(Cl)cc2)n1 521989735 XVTGJLNZGYTJDN-UHFFFAOYSA-N 351.784 4.105 0 40 FIAB Cc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ncc1Br 536952739 HHVNKDLQLZAIQX-UHFFFAOYSA-N 353.260 4.177 0 40 FIAB Cc1[nH]c2ccc(C(=O)N3CCC(Oc4ncccc4F)CC3)cc2c1C 574514117 ROOUKFUPIYIFEN-UHFFFAOYSA-N 367.424 4.002 0 40 FIAB COc1cc([C@@H](C)NC2CCC(O)(c3cccc(Cl)c3)CC2)ccn1 585082885 GHXLMZXOOXYHEY-FHTBDLFWSA-N 360.885 4.225 0 40 FIAB CN1CC[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)C1 591456113 FCNGDTVICQKRMV-AWEZNQCLSA-N 365.408 4.056 0 40 FIAB O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CC[C@@H](C2CC2)C1 1319624608 RFKLLMLTUUHFMY-QGZVFWFLSA-N 367.468 4.288 0 40 FIAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1 1597906109 XLFXLYXRYNCIFE-UHFFFAOYSA-N 374.488 4.170 0 40 FIAB CCOc1ccccc1NC(=O)NC[C@H](O)c1cc(-c2ccco2)cs1 1775969728 IMSDHWRPTQOWEV-HNNXBMFYSA-N 372.446 4.262 0 40 FIAB CN(C)[C@H](CNC(=O)CSC1CCCC1)c1csc2ccccc12 1888930307 UOTKWZVEFOVWSD-QGZVFWFLSA-N 362.564 4.296 0 40 FIAB CC(C)N(C)C[C@@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)CO1 2055835460 LRYDNDQDFMJXEB-SFHVURJKSA-N 366.496 4.066 0 40 FIAB Cc1nc(C)c(CN2CCC[C@@H](COc3ncccc3Cl)C2)s1 2298192545 OCHFVKMLTVNHDK-CQSZACIVSA-N 351.903 4.099 0 40 FIAB COc1ccc(S(=O)(=O)NC2CCCCCC2)c(Cl)c1Cl 640079 LNHVWVFQGDGDIQ-UHFFFAOYSA-N 352.283 4.003 0 40 FIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Br)cc1 722016 RWWKVDRTDNKJKE-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 955506 KGDGTQMFJRAVOF-MDZDMXLPSA-N 363.335 4.209 0 40 FIAB CCCC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 1044511 JOMXLHCIWLDDIM-UHFFFAOYSA-N 374.028 4.301 0 40 FIAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn12)c1cccs1 1099060 ZBKGCZRMERGBAZ-UHFFFAOYSA-N 354.822 4.364 0 40 FIAB Cn1c(SCc2c(Cl)cccc2Cl)nc(C(F)(F)F)cc1=O 1400812 UXCOYBMHYRYBJG-UHFFFAOYSA-N 369.195 4.398 0 40 FIAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCC)cc1OC 2091005 CTLBVKYRKDSTDP-HXUWFJFHSA-N 354.450 4.461 0 40 FIAB biogenic Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2Cl)c1 2634370 OLGDHQZFQKSOEC-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCCC1=CCCCC1 3396060 LMEJYIMTVDFCOW-UHFFFAOYSA-N 370.276 4.086 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)[nH]c2c1 4406272 OSJOSXMCJNXSMV-GFCCVEGCSA-N 352.459 4.424 0 40 FIAB COc1ccccc1C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 4479430 VDJTYVNQBANMAN-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB COc1cc2nc(NC(=O)c3nc4ccccc4s3)sc2cc1OC 4479904 JVCNEINGALFPPR-UHFFFAOYSA-N 371.443 4.176 0 40 FIAB COC(=O)c1ccc(COC(=O)Cc2coc3cc(C)c(C)cc23)cc1 4493649 FXTWWSCZIZWEHT-UHFFFAOYSA-N 352.386 4.122 0 40 FIAB C[C@H](Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)c1ccccc1 4545009 RKMNXEXQJCRQJZ-HNNXBMFYSA-N 371.392 4.137 0 40 FIAB COc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)cc1 4678218 TWHFPXIQIQCOFI-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB C[C@H]1CCN2c3cc(Cl)ccc3CC3(C(=O)CC(C)(C)CC3=O)[C@@H]2C1 4915395 PRNRPIBINBEFAZ-GUYCJALGSA-N 359.897 4.446 0 40 FIAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc2ccccc2c1 5154078 IJUKLBNGNCRVGB-UHFFFAOYSA-N 356.425 4.318 0 40 FIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccccc1Br 5441676 KJEXMNJGIHBECV-UHFFFAOYSA-N 373.250 4.218 0 40 FIAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)o2)cc1C 6205781 MZHZBGRWERXZHS-UHFFFAOYSA-N 374.396 4.042 0 40 FIAB COc1cc(C(=O)Nc2cc(C)ccc2C)cc(Br)c1OC 6426348 IFSZNIFCIFNAAM-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccc(Cl)cc1 6548103 UUGTWUMKDNIYGA-UHFFFAOYSA-N 373.909 4.063 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/Sc1ccccc1 7117659 RJTPKKFVDCFNBZ-CJTWTEFWSA-N 364.474 4.093 0 40 FIAB Cc1ccc(-c2noc(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 7605378 DBOGXDKFPSWQFF-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 7653155 SFLJBEIUFUHVBQ-STQMWFEESA-N 360.454 4.142 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 8073490 BMSRWRDLHNHGAA-UHFFFAOYSA-N 368.477 4.140 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)c2ccc(OCC(C)C)cc2)cc1 8869596 PZFQKKKCXOYMBM-UHFFFAOYSA-N 351.406 4.332 0 40 FIAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3C2CCCCC2)cc1 9360621 XPRRZXPAJBVHAY-IBGZPJMESA-N 371.506 4.480 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc2ccccc2s1 9992409 ARDDOSJXVRBFEC-UHFFFAOYSA-N 350.487 4.427 0 40 FIAB COc1cccc(C(=O)NC[C@H](c2cccc3ccccc23)N2CCCC2)c1 10330596 XTEUUYIKZDRCJG-HSZRJFAPSA-N 374.484 4.415 0 40 FIAB COc1ccc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 10413490 QOPCWQJNIZEFQC-UHFFFAOYSA-N 373.884 4.088 0 40 FIAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1F 10496535 LPGKLZJDRYBAEF-UHFFFAOYSA-N 356.372 4.177 0 40 FIAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc2ncsc2c1 10979430 UEQSZBIOEYLXJV-UHFFFAOYSA-N 352.337 4.490 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CNc2ccc(Cl)cc2F)c1 11159969 ORCIITHPKFJEFO-UHFFFAOYSA-N 366.820 4.327 0 40 FIAB Clc1cc(Cl)c(OCc2nnnn2Cc2ccccc2)cc1Cl 11221561 BDKYZEYYHDGFRP-UHFFFAOYSA-N 369.639 4.261 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nc(Cc2cccs2)n[nH]1 11600262 NHCSASRBYLAEHP-UHFFFAOYSA-N 372.519 4.311 0 40 FIAB Cc1ccc2c(CSc3ncn(-c4ccccc4)n3)cc(=O)oc2c1C 11941170 ONLCUFRWFGVDMX-UHFFFAOYSA-N 363.442 4.283 0 40 FIAB CCn1c([C@H](CC(C)C)NC(=O)Cc2cccc(F)c2)nc2cccnc21 12114151 YQVQMNIQBAGZQR-SFHVURJKSA-N 368.456 4.036 0 40 FIAB Cc1cc(C(F)F)nn1CC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 12162286 GTGIEPOLBKQNOI-YKCBXCCJSA-N 373.447 4.218 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1c(C)[nH]c2ccccc12)CC3 12297090 LGYAACDRCOUTJQ-UHFFFAOYSA-N 373.456 4.094 0 40 FIAB biogenic CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCCC2)cc1 12355612 ZZXWULKBDOICDA-LJQANCHMSA-N 358.507 4.102 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccco1 12378257 WZUDOMLRZRXHEI-CQSZACIVSA-N 366.398 4.061 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3n[nH]c4ccccc34)s2)cs1 12397167 HLYMVVVHLXEEIT-UHFFFAOYSA-N 368.487 4.029 0 40 FIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NCCCOC(C)C)c(C)c12 12778045 NVEOFMOFEHTGFM-UHFFFAOYSA-N 363.527 4.151 0 40 FIAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@H]1Cc2cc(Cl)ccc2O1 12899095 DWTYJLIBRHGIJI-GFCCVEGCSA-N 366.776 4.170 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 12980640 DYZBXLRKCZSYDK-GOSISDBHSA-N 367.449 4.287 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2C)cc1 13002025 WKAOWMZUJYSYOS-AVRDEDQJSA-N 366.505 4.408 0 40 FIAB COc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 13556022 YWQCUCLSWGCJHV-UHFFFAOYSA-N 372.465 4.126 0 40 FIAB COc1ccc(OC)c(NC(=S)Nc2ccccc2OC(F)F)c1 13754692 IACOCRJWFGAIFM-UHFFFAOYSA-N 354.378 4.114 0 40 FIAB CC(C)[C@@H](O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2 13946022 TVYIINSEZLQBTR-GOSISDBHSA-N 361.825 4.053 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2ccccc2oc1=O 15094217 QNIFNNGOJVDYLD-GFCCVEGCSA-N 364.426 4.236 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 15992165 OGJPMPAQQLXQRL-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB Cc1cccc(C(=O)N[C@H](NC2CCCCC2)C(Cl)(Cl)Cl)c1 16790944 JULRPVNIQGAHCW-HNNXBMFYSA-N 363.716 4.343 0 40 FIAB CCOc1ccc(Nc2nc(N(C)C)nc3c2cnn3-c2ccccc2)cc1 17308000 XYVUISSTSZLZHY-UHFFFAOYSA-N 374.448 4.024 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1C(F)(F)F 20447712 YBGXPVKTJLNORZ-UHFFFAOYSA-N 371.742 4.311 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C)cc2C)n1 21168570 WIHPRILXMVRNCW-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(-c2ccc(F)cc2)o1 21184040 BUYPISOQPBDFMU-UHFFFAOYSA-N 364.376 4.230 0 40 FIAB COc1ccc(NC(=O)CCOc2ccccc2)cc1OC1CCCC1 24929639 RSYLWQJEELBYCA-UHFFFAOYSA-N 355.434 4.424 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(F)cc1 30131018 OIBQAONGUGGJRW-GFCCVEGCSA-N 353.846 4.155 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCSc2ccc(C)cc2)cc1OC 30862100 UVFPEBXQJGXZCD-OAHLLOKOSA-N 359.491 4.372 0 40 FIAB CCCn1nnc(NCc2ccc(-c3cc(Cl)ccc3Cl)o2)n1 32617041 DYIXRAXKUUDDJB-UHFFFAOYSA-N 352.225 4.262 0 40 FIAB COc1ccccc1C(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 32676758 RPZCOXBLWUHYMJ-INIZCTEOSA-N 362.429 4.160 0 40 FIAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)ccc1F 32930337 SQJCLYPEXJSBIL-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB FC(F)(F)c1cc(-c2ccccc2)nc2nc(N3CCOCC3)sc12 38152805 CKEQESXHRMFYTM-UHFFFAOYSA-N 365.380 4.214 0 40 FIAB CCOc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 39755512 GIEOHAMLFZENEQ-UHFFFAOYSA-N 356.441 4.075 0 40 FIAB COc1ccc([C@@H](C)NC(=O)Nc2ccc(OC(F)F)cc2)cc1F 40103175 KFIRWSMNBBAVIZ-SNVBAGLBSA-N 354.328 4.318 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3cccs3)CC2=O)c1C 40160163 AUNBEXVESMIBOX-WMZOPIPTSA-N 368.502 4.082 0 40 FIAB CN(Cc1ccccc1)C(=O)Cn1ccc2c(Br)cccc21 40267509 GZVYOTXMRTWYML-UHFFFAOYSA-N 357.251 4.062 0 40 FIAB O=c1ccc(-c2ccc(Cl)cc2)nn1[C@H]1CCc2ccccc2N=C1O 40268144 KMVDEZCGRFTOOA-SFHVURJKSA-N 365.820 4.339 0 40 FIAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 44672872 RLHSCONNLMTSSJ-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)CCSCc2ccccc2)cc1 44900926 NEXYXQMJAVYXMY-UHFFFAOYSA-N 365.502 4.120 0 40 FIAB Cc1cc(Br)c2oc(-c3cccc(-n4cnnc4)c3)nc2c1 45920504 JIFRRUAMWTWCKJ-UHFFFAOYSA-N 355.195 4.146 0 40 FIAB O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCCCC1 46895361 QWJGIBLTAKFHOK-UHFFFAOYSA-N 361.239 4.263 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(C3CCCCC3)nnc21 50545850 NESSNTLIKSLFPB-UHFFFAOYSA-N 366.856 4.473 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1CCCc1nc2ccccc2o1 54202601 SNTLJRVBOSFZFE-UHFFFAOYSA-N 356.731 4.295 0 40 FIAB COc1ccc(NC(=O)CSCc2ccccc2Br)cc1 58165038 UDIIGZMMXDVMEG-UHFFFAOYSA-N 366.280 4.330 0 40 FIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(Nc2ccc(F)cc2)CC1 58169365 KACFCMSEKKJHJX-UHFFFAOYSA-N 355.388 4.163 0 40 FIAB Cc1ccc(C(=O)C(=O)/N=c2\[nH]c3ccccc3n2C2CCCCC2)cc1 58402756 XZFHFFNIRQOIRM-UHFFFAOYSA-N 361.445 4.093 0 40 FIAB COc1cccc([C@H](CNCc2c(F)cccc2Cl)N2CCCC2)c1 71798730 JSKDIZQMOWGQHD-FQEVSTJZSA-N 362.876 4.414 0 40 FIAB CCc1nc(C)c([C@H](C)OC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)s1 72294342 NVMQPCVMMCKELE-WMLDXEAASA-N 374.506 4.194 0 40 FIAB Cc1cccc(OCCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 72369849 MTUBUNAUKMRPKD-IBGZPJMESA-N 363.461 4.303 0 40 FIAB COc1ccc(NC(=O)[C@H](Oc2ccc(OC)cc2)c2ccccc2)cc1 80344442 HBDLIDZMGLRBNC-OAQYLSRUSA-N 363.413 4.463 0 40 FIAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2cccc(Cl)c2Cl)C1=O 101275544 QIFXMGFHYOPVSP-CQSZACIVSA-N 363.244 4.354 0 40 FIAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2cc(F)cc(F)c2)CCC1 102679979 WAAQOZPFGZWWIW-CYBMUJFWSA-N 370.281 4.247 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@H]1C[C@H]2CC[C@H]1C2 110538365 DCYXTQSPAOVLME-WZTLGTBRSA-N 358.482 4.433 0 40 FIAB COc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)c(C)n1 154755009 QLYWWQXSEFVQEW-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)s1 224590807 OEBULKSNCGWCEB-MSOLQXFVSA-N 367.499 4.334 0 40 FIAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(F)cc3)oc12 226270549 HUNUSYVIHNFLLI-UHFFFAOYSA-N 352.287 4.467 0 40 FIAB COC(=O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2ccccc12 226366668 LUKKNPNXFOKQRZ-UHFFFAOYSA-N 372.218 4.187 0 40 FIAB CCCCc1ccc(NC(=O)C(=O)NCc2ccc(OC(C)C)cc2)cc1 408708157 HFEBNRLUZLNPEN-UHFFFAOYSA-N 368.477 4.071 0 40 FIAB CC1(C)C[C@H](NC(=O)c2cnc(O)c3ccccc23)c2ccc(F)cc2O1 526053666 BGQDOHSNSDDOMX-KRWDZBQOSA-N 366.392 4.112 0 40 FIAB Cn1c(C(=O)Nc2cccc3nc(O)[nH]c23)cc2cc(C(F)(F)F)ccc21 552385352 OJMQZZTWGSMCBM-UHFFFAOYSA-N 374.322 4.031 0 40 FIAB Cc1c(NC(=O)C[C@@H]2C[C@@H]2C)cccc1C(=O)N1CCc2sccc2C1 577904639 OCBYOSJYSQKPAX-BBRMVZONSA-N 368.502 4.240 0 40 FIAB Cc1cccc(-c2cccc(CNC(=O)c3ccc4c(c3)CCC(=O)N4)c2)c1 588663402 AHWBHRIYPLUINL-UHFFFAOYSA-N 370.452 4.477 0 40 FIAB O=C(NCCCc1cccc(Cl)c1)NCCc1cc2ccccc2[nH]1 1227601108 ZZDGNCPPOJKLAV-UHFFFAOYSA-N 355.869 4.296 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)c3cc4ccccc4s3)cc2)cn1 1889300389 QMZGNKDPWNAMCO-UHFFFAOYSA-N 361.470 4.274 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1 870517 NZLPPHULICALOC-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB COc1cccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c1 986694 YDEVMRYMEZSXJV-UHFFFAOYSA-N 363.413 4.292 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)c1 1057801 QZVAWCQXCRJPCM-LJQANCHMSA-N 354.450 4.193 0 40 FIAB biogenic CC(C)NC(=O)CSc1nc(CCC2CCCC2)nc2ccccc12 1356014 VTQQBZBNEHKBQS-UHFFFAOYSA-N 357.523 4.369 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 1506622 YLTVRMMASPHMTA-UHFFFAOYSA-N 350.418 4.306 0 40 FIAB CC12CC3(CC(=O)O)C[C@@](Br)(C1)C[C@@](Br)(C2)C3 1557540 JSXBEUDVOWCUCG-BPNZPQAUSA-N 366.093 4.103 0 40 FIAB CCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 2081648 VRWYVTDYFXENOQ-UHFFFAOYSA-N 350.418 4.059 0 40 FIAB CCc1c(C)sc(NC(=O)c2c(Cl)cccc2Cl)c1C(N)=O 2737359 OQSCAIQQPKCMGA-UHFFFAOYSA-N 357.262 4.277 0 40 FIAB CSc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 3390382 XRRIJCYDNHMONT-UHFFFAOYSA-N 364.873 4.163 0 40 FIAB C[C@H](NC(=S)NC(=O)/C=C/c1ccccc1)C12CC3CC(CC(C3)C1)C2 4017356 INJABUIHIDUKLJ-OXAYRVNQSA-N 368.546 4.295 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 4816543 UITMVRZZYUUNNV-OALUTQOASA-N 366.852 4.327 0 40 FIAB CC(C)C(=O)Nc1c(-c2cccc(Cl)c2)c(=O)c2ccccc2n1C 5205272 HCJQIHLUYFINSN-UHFFFAOYSA-N 354.837 4.453 0 40 FIAB CN(C)C(=O)CC1(CC(=O)Nc2ccc(C(F)(F)F)cc2)CCCC1 5253018 CNTWHYXHDGFJGX-UHFFFAOYSA-N 356.388 4.073 0 40 FIAB COc1ccc(-n2c(C)c(C)c3c(Nc4nccs4)ncnc32)cc1 5351895 ZEEVMCVOHJXAEQ-UHFFFAOYSA-N 351.435 4.246 0 40 FIAB Cc1ccccc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 6861041 BXBLWWOMKCPWJV-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB COc1ccc(-n2ccnc(SCc3ccccc3Cl)c2=O)cc1 6915494 FCIQKBSBIOVFFV-UHFFFAOYSA-N 358.850 4.187 0 40 FIAB O=C(O)/C(=C/c1cccnc1)Sc1nnc(-c2ccc(Cl)cc2)o1 7365575 SGTIJGXFXOFIBT-JYRVWZFOSA-N 359.794 4.003 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1 7641041 LODXBVOWGBLRAS-UHFFFAOYSA-N 368.458 4.453 0 40 FIAB COc1cc(C)c(NC(=O)c2cc(Br)ccc2F)cc1OC 7724337 YTMIKCZLAXDTEK-UHFFFAOYSA-N 368.202 4.166 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(C)c3C)CC2=O)cc1Cl 7928630 AKTPHKIKBZXCRN-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 7996241 IOHFVJTYTLLOEY-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB c1csc(-c2nnc(Sc3ncnc4ccsc34)n2C2CC2)c1 8750626 TVTQBKWKXBTZKK-UHFFFAOYSA-N 357.489 4.497 0 40 FIAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(C)(C)C)cc21 8959949 YEKFINXVDLXRLV-UHFFFAOYSA-N 360.498 4.469 0 40 FIAB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1/C=C/c1ccccc1 9009564 AMOUOHUNBLYWGV-JKIKYLSZSA-N 359.429 4.207 0 40 FIAB C[C@]1(C(=O)N2CCC(c3nc4ccccc4o3)CC2)CC1(Cl)Cl 9365571 LUTHPJGBZAXZCT-MRXNPFEDSA-N 353.249 4.118 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2NC1=O 9895803 HRROLOBTSCXHFC-DYVFJYSZSA-N 352.459 4.097 0 40 FIAB CCc1cc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)sc1C 10656376 LVAYHZIFVVXHAH-QGZVFWFLSA-N 357.454 4.011 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)cc1F 10750526 ZJSPXHXLWOJBMA-HNNXBMFYSA-N 369.440 4.008 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2OC[C@H]2CCCO2)on1 12366555 VMSRLQZQNNZHLO-FBBABVLZSA-N 370.493 4.042 0 40 FIAB Cc1ccc(C)c(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c1 12414743 HTDAIOZYJVXMRB-UHFFFAOYSA-N 360.461 4.102 0 40 FIAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1 12705922 ONGSJLPHPAQPKW-GYHWCHFESA-N 374.396 4.197 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CC2)cc1 12734634 CXJPXPWKSXZNDK-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCCc1cccc(F)c1 12878427 BOKPVPRJPOOOAA-UHFFFAOYSA-N 353.437 4.026 0 40 FIAB CCC(CC)c1nnc(NC(=O)CSc2ccc(F)c(F)c2)s1 12906752 PQGXXXGFQOEFIO-UHFFFAOYSA-N 357.451 4.451 0 40 FIAB Cc1cc(C)c(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c(Cl)c1 12981934 AFSNGAFAGGQZRP-CQSZACIVSA-N 372.852 4.100 0 40 FIAB CN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)[C@H]1CCCc2ccccc21 12982341 UVIXLXRWFMXMBY-RXVVDRJESA-N 362.473 4.114 0 40 FIAB O=C1C[C@]2(CC[C@@H]3[C@@H](C(=O)NC4CCCCC4)[C@@H]32)Oc2ccc(Cl)cc21 13266580 FRMVBKFGVPOUJI-RIYQWJRFSA-N 373.880 4.149 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c(OC)cc1Cl 13710789 WQHVHAGXYPHDSZ-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB O[C@@H](COc1ccccc1)Cn1c(COc2ccccc2)nc2ccccc21 14287685 OLJPDTRCIVWVPZ-GOSISDBHSA-N 374.440 4.055 0 40 FIAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2[C@H]2CCCO2)on1 19122711 FZBGGMQXIOTVMI-MRXNPFEDSA-N 354.385 4.043 0 40 FIAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)CC(C)(C)C)c1C 19558122 AJXYOOVIORNPRP-MRXNPFEDSA-N 358.486 4.182 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20144299 WRTPLVVIAKPNNY-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCCC3)c2c1 20380797 MACIYVIXSWKEFA-UHFFFAOYSA-N 366.486 4.366 0 40 FIAB Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 20459922 XIHAXITYLMPANH-FQEVSTJZSA-N 355.434 4.202 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)c1c2c(nc3ccccc13)CCCC2 24737422 NWKOWVLBVYHXIA-UHFFFAOYSA-N 370.412 4.416 0 40 FIAB CC(=O)c1ccc(-c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)o2)cc1 24748669 PQBWDPVIFUCERS-UHFFFAOYSA-N 368.477 4.188 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2c(C)nc(C(C)C)nc2SC)cc1 24837317 SECDUXSYFBSROL-UHFFFAOYSA-N 373.478 4.059 0 40 FIAB Cc1sc(-n2cccc2)c(C(=O)N2CCN(c3ccccc3)CC2)c1C 25153059 SURVLEUDJZMHNS-UHFFFAOYSA-N 365.502 4.118 0 40 FIAB COc1ccc(C(=O)CSc2nccn2-c2ccccc2C)c(OC)c1 26047089 OKHPCGPMVSGKDC-UHFFFAOYSA-N 368.458 4.173 0 40 FIAB COc1ccc(-c2nc(CS[C@@H](C)C(=O)NCC(C)C)cs2)cc1 31413498 BVMRPVHVNXIMDB-ZDUSSCGKSA-N 364.536 4.213 0 40 FIAB Cc1ccn2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)nc2c1 32738604 LHABYSQYGBHROX-UHFFFAOYSA-N 351.740 4.150 0 40 FIAB CCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccccc1C 32760724 HJZVROGGDZHPEB-UHFFFAOYSA-N 357.483 4.246 0 40 FIAB COc1ccc(C)cc1NC(=O)CNc1ccc(OC2CCCC2)cc1 32770467 BYKLODQPYLKESG-UHFFFAOYSA-N 354.450 4.376 0 40 FIAB O=C(NCC[C@H]1CCCO1)Nc1ccc(N2CCc3ccccc32)cc1 40151786 PIKOBJRICDEIRE-LJQANCHMSA-N 351.450 4.071 0 40 FIAB O=C(Nc1nncs1)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 43130032 NRDDRJJGDFSJFL-MRXNPFEDSA-N 370.503 4.390 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 44934095 QOEGIPJGEUPJSC-MAUKXSAKSA-N 358.432 4.054 0 40 FIAB CCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078747 XVEJEXBYKDXTFF-UHFFFAOYSA-N 370.880 4.463 0 40 FIAB c1csc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)c1 67246086 YDJCEGJKDIWMSE-UHFFFAOYSA-N 369.427 4.241 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C=O)C1CCC1 72215535 RTABBANJTSRUAX-QGZVFWFLSA-N 359.470 4.059 0 40 FIAB CCc1ccc(CNC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 72333817 FHNXFRXITFOCMK-UHFFFAOYSA-N 366.244 4.029 0 40 FIAB c1ncc(Nc2nccc([C@@H]3CCCCN3CC3CCCCC3)n2)cn1 72377852 SAFBCJIJGYPLKI-IBGZPJMESA-N 352.486 4.118 0 40 FIAB CCn1c([C@@H]2CCCN2Cc2noc(C(C)(C)C)n2)nc2ccccc21 75104901 QPQLXRHCZGYBLM-INIZCTEOSA-N 353.470 4.074 0 40 FIAB C[C@@H](c1cccc(F)c1)N1CCN(Cc2ncc(-c3cccs3)o2)CC1 95435052 PDUPVMPOYISKSM-HNNXBMFYSA-N 371.481 4.421 0 40 FIAB C[C@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2[nH]1 96118765 SOFZGUCPDILNGR-INIZCTEOSA-N 350.466 4.291 0 40 FIAB CO[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 96388897 AKDZTLHKCDTAQC-HNNXBMFYSA-N 356.319 4.354 0 40 FIAB O=C(CC1CCCCC1)NC1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 98212575 WCWVIHTYCYAREP-UHFFFAOYSA-N 366.509 4.132 0 40 FIAB O=C(/C=C/c1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100424676 KBMNODPKUWQSKX-VGKGJIMCSA-N 360.501 4.402 0 40 FIAB Cc1nc(CN2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cs1 117904702 OCHNRRZARPVFCQ-UHFFFAOYSA-N 372.412 4.394 0 40 FIAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1C 219232511 CSZFCTGBKBGTMH-OAQYLSRUSA-N 364.489 4.307 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219305358 NPDYVUFHABGQGJ-HNNXBMFYSA-N 355.434 4.423 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)Nc2nnc(SCC(C)C)s2)c1 222822343 CLOCDBNMZZTCPH-UHFFFAOYSA-N 365.524 4.229 0 40 FIAB COc1cccc(OCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223370866 BSPYNCMDQBYGOU-MRXNPFEDSA-N 371.477 4.392 0 40 FIAB O=C(NCCOc1ccc(F)cc1)c1ccccc1CCc1ccccc1 224280548 OJHIVGCFBSAIMW-UHFFFAOYSA-N 363.432 4.420 0 40 FIAB S=C(NCCCNc1ccnc2cc(Cl)ccc12)Nc1ccncc1 225217759 QMRGGCGLFJHMNH-UHFFFAOYSA-N 371.897 4.072 0 40 FIAB CCOc1ccccc1CNC(=S)Nc1ccc(OC)c(Cl)c1 225441977 CYBARKHCXJPYIG-UHFFFAOYSA-N 350.871 4.234 0 40 FIAB CO[C@@H](CNC(=O)NCCCc1ccccc1)c1ccc(Cl)s1 225709333 QYNPWOKBWOZXDE-AWEZNQCLSA-N 352.887 4.021 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2C)c1 225766047 HLQSFRYWPRAZID-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CCOc1cc(CNC(=S)Nc2ccc(F)c(Cl)c2)ccc1OC 225770619 KMQOMFDDBXSGTJ-UHFFFAOYSA-N 368.861 4.373 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1Cl 244037319 SWNLUZPEXBWHQH-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4nccs4)[C@@H]3C[C@H]21 257242207 IBNAHLSLYKXWFJ-LFEHRJTNSA-N 356.491 4.035 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 408557982 PKPYHUJDDLCFPF-UHFFFAOYSA-N 353.871 4.465 0 40 FIAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CCOc1ccc(F)cc1 409053261 NTBHHOKTDAOSIC-DFBITEFZSA-N 369.417 4.497 0 40 FIAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)[C@@H]3CCCCO3)c(C(C)(C)C)n2)cc1 679082160 HCZVRJAKFYPZRY-LPHOPBHVSA-N 369.509 4.166 0 40 FIAB CC(C)(C)OC(=O)N1CCC([C@@H]2c3c(F)cccc3-c3cncn32)CC1 725328106 ZKMYXGYPKBFKFD-GOSISDBHSA-N 357.429 4.239 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc2c(c1)OCCO2 911494 HDOYMMIUGNIHII-UHFFFAOYSA-N 372.852 4.354 0 40 FIAB OCc1cc(Br)c(OCc2ccccc2)c(Br)c1 982860 GONANTFRLMLXER-UHFFFAOYSA-N 372.056 4.283 0 40 FIAB biogenic COc1ccccc1OCCCC(=O)Nc1nc2ccc(C)cc2s1 1903331 CDJKFBQZCRYDLS-UHFFFAOYSA-N 356.447 4.411 0 40 FIAB CC1(C)CC2(CCCCC2)N(C(=O)N2CCOCC2)Cc2ccccc21 2449752 MZBJUGWDIZXZLS-UHFFFAOYSA-N 356.510 4.325 0 40 FIAB Cc1ccc(-n2c(S)nnc2COc2cccc3c2OC(C)(C)C3)cc1 2582296 YRTGPYHPBJWMBU-UHFFFAOYSA-N 367.474 4.157 0 40 FIAB COc1ccc(OC)c(NC(=O)CCSc2ccc(Cl)cc2)c1 2638778 STZDOQVFDVTZOM-UHFFFAOYSA-N 351.855 4.478 0 40 FIAB CCC(=O)N[C@@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 2721341 HLAAYLNVZSGPLY-LBPRGKRZSA-N 359.832 4.464 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2ccccc2Cl)n1 2786588 IXJWLJMDAFOROI-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB COc1ccccc1CNC(=O)c1cc(-c2ccccn2)nc2ccccc12 3039313 BZAWBVYUFPROFD-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cccnc1 3234280 RMJCLBLRRDLMDH-UHFFFAOYSA-N 362.410 4.068 0 40 FIAB CCn1nc(C)c(Br)c1Nc1ccc(Br)cc1 3239360 JJIJDJSOZRLHRP-UHFFFAOYSA-N 359.065 4.480 0 40 FIAB CCOC(=O)CCc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 3243355 CCDIAZIYLMNQHG-UHFFFAOYSA-N 350.418 4.044 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 3260635 OQEGJAICHURFGI-MRXNPFEDSA-N 358.265 4.050 0 40 FIAB O=C1c2ccccc2C(=O)N1CCSc1cc(Cl)ccc1Cl 3339555 KRZXHTRVSINEQC-UHFFFAOYSA-N 352.242 4.382 0 40 FIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(OC[C@@H]2CCCO2)cc1 3415261 VSMCSKGVBGNRCZ-FPOVZHCZSA-N 351.446 4.052 0 40 FIAB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H](C)CCC)cc1 4065723 ZSHDARVIUKPAED-LIRRHRJNSA-N 374.481 4.083 0 40 FIAB CNC(=O)c1ccsc1NC(=O)c1sc2ccccc2c1Cl 4275828 KTLTYOTVQCLRRK-UHFFFAOYSA-N 350.852 4.228 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 4410299 OJRADRUMJUVRPG-XRXFAXGQSA-N 356.462 4.211 0 40 FIAB biogenic Cc1ccc(CNC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)o1 4691566 GVYOQQBTWZWBBY-UHFFFAOYSA-N 362.429 4.349 0 40 FIAB O=C(Nc1ccc(Br)cc1)C(=O)Nc1cccc2ccccc12 4907895 ZRXHALZEAMJLQC-UHFFFAOYSA-N 369.218 4.180 0 40 FIAB O=c1c(Cl)c(NCc2ccco2)cnn1C12CC3CC(CC(C3)C1)C2 4924829 HHSUVIQCTMUASO-UHFFFAOYSA-N 359.857 4.027 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)CSc3nncs3)ccc21 6534302 YRABEHHTKUTGHP-UHFFFAOYSA-N 368.487 4.397 0 40 FIAB Cc1cc(C)cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 6831994 WPULZFKMJZWDJX-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(Br)cc1 7601457 FJNLFWXALZGRRU-UHFFFAOYSA-N 361.268 4.114 0 40 FIAB CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 7683395 RGSJNWXLQVIEGX-UHFFFAOYSA-N 360.339 4.101 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1O 7883932 AQHYHYMQLLMTGX-QFIPXVFZSA-N 374.440 4.476 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2cc(C)ccc2C)CC1=O 7929354 UNFVQOZYBNPRBU-IBGZPJMESA-N 365.473 4.387 0 40 FIAB C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc(-n2ccnc2)cc1 8166052 MSOOPZAIDNNVPU-QGZVFWFLSA-N 356.429 4.154 0 40 FIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8366799 AXNFRZXQHVFEEG-FQEVSTJZSA-N 374.440 4.226 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C 8388301 QOXFNTDLXJTJCL-UHFFFAOYSA-N 369.852 4.081 0 40 FIAB CCOc1cc(C=O)ccc1OCCCSc1nc2ccccc2[nH]1 8701326 UVCQMAFQVATTRE-UHFFFAOYSA-N 356.447 4.335 0 40 FIAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1cccnc1 8711032 CDGAYVFXEVGRJC-UHFFFAOYSA-N 373.865 4.009 0 40 FIAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N3CCC3)cc12 8755619 XARCAARXEKWOBW-UHFFFAOYSA-N 365.380 4.260 0 40 FIAB CC[C@@H](c1nc(-c2cc(Cl)ccc2OC)no1)n1cc(Cl)cn1 8782449 VINDFRVFSSANNZ-LBPRGKRZSA-N 353.209 4.248 0 40 FIAB O=C(c1ccccc1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 9019319 VUSWRJJSPGIKEA-UHFFFAOYSA-N 354.409 4.375 0 40 FIAB NC(=O)c1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 10030413 JWKWAVDOBCMIOP-LJQANCHMSA-N 362.454 4.258 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)c(Cl)c1 11247059 BKHVUUHUMXCICF-GOSISDBHSA-N 366.852 4.199 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 11585301 KKSFYNUEKLKAQF-QGZVFWFLSA-N 369.852 4.267 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3C)n2)cc1 11914505 AOVUBZZPGAJUAJ-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB COc1ccc(-c2nnc(Cn3c(C(F)(F)F)nc4ccccc43)o2)cc1 12506525 HVSGRWRJTCASRN-UHFFFAOYSA-N 374.322 4.162 0 40 FIAB O=C([C@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1)N1CCCC1 12794170 NUTWLMSUYROVEI-RTBURBONSA-N 370.493 4.316 0 40 FIAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 12998354 XRNPHQRGPMSCGA-SNVBAGLBSA-N 361.410 4.075 0 40 FIAB Cc1c(NC(=S)SCc2ccccc2)c(=O)n(-c2ccccc2)n1C 13685905 JYDPDUVSRPQFGM-UHFFFAOYSA-N 369.515 4.115 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 14301909 IHSPYCPGIUPVAG-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccs1 14358916 NGSLZIOVXKJVGT-UHFFFAOYSA-N 359.472 4.152 0 40 FIAB COc1ccc(-c2nnc(COc3ccc(C)c4c3C(=O)C[C@@H]4C)o2)cc1 14373766 JEFRIYJVTSECLH-ZDUSSCGKSA-N 364.401 4.323 0 40 FIAB O=C(CCCc1cccs1)Nc1ccccc1I 14429518 WCVKCVFRDFJCGI-UHFFFAOYSA-N 371.243 4.314 0 40 FIAB O=C1CC[C@]2(C(=O)Nc3cccc4c3CCCC4)Sc3ccccc3N12 14700663 MHDKOMKRCLGEHZ-OAQYLSRUSA-N 364.470 4.133 0 40 FIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCc1ccccc1 14731700 JIAVMIROPSQURH-UHFFFAOYSA-N 354.837 4.287 0 40 FIAB Cc1cccc(OCC(=O)OCc2cc(-c3ccc(F)cc3F)on2)c1 17135475 QSNKTBAQNSTGJY-UHFFFAOYSA-N 359.328 4.050 0 40 FIAB Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)CC2CCCCC2)on1 19121266 FKWTXIBWRLSIQI-SFHVURJKSA-N 370.497 4.408 0 40 FIAB CCCCOc1ccc(C(=O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 19313987 JGYJCRUVWAQTJL-QFIPXVFZSA-N 367.489 4.164 0 40 FIAB CCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 20427471 QUNRSHHQVKASEU-UHFFFAOYSA-N 355.434 4.232 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2OC)c1 21358485 HPNSXCMCRNSPBI-UHFFFAOYSA-N 354.189 4.041 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](c1ccccc1)C1CC1 24027465 SSGJTAFVDJZFQF-JTHBVZDNSA-N 360.457 4.218 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2SC)cc1Br 24865611 OJKMAFHZKSCEDU-UHFFFAOYSA-N 352.253 4.432 0 40 FIAB CCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 25727579 VNVOCPAKLADGKX-UHFFFAOYSA-N 367.371 4.417 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1ccc(COc2ccc3c(c2)OCO3)o1 28233522 MAPHBYRMLVFEKR-UHFFFAOYSA-N 373.311 4.118 0 40 FIAB O=C(Nc1ccc(-n2cnc3ccccc32)nc1)c1ccc2ncsc2c1 32796654 BVDQKZDVAPUOGS-UHFFFAOYSA-N 371.425 4.283 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)CNc1ccccc1SCC(F)(F)F 32907915 RLTFJSLANVBSLQ-QWHCGFSZSA-N 360.445 4.448 0 40 FIAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)ccc1O 36352675 FIFWNFCZHMKUAS-AWEZNQCLSA-N 369.808 4.364 0 40 FIAB CCn1nccc1CNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 36613609 APOQHVAQZLFHMH-UHFFFAOYSA-N 361.371 4.299 0 40 FIAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2Cl)cc1 36620479 CZDFLJQCKVRSKX-GOSISDBHSA-N 365.882 4.265 0 40 FIAB COCCNC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 38680158 YEJBVIPYVAGGAT-UHFFFAOYSA-N 353.447 4.245 0 40 FIAB CC(C)(C)n1ncc(C(=O)Nc2cnc3ccccc3c2)c1C(F)(F)F 47328206 RZUZHZJZDFPMHF-UHFFFAOYSA-N 362.355 4.457 0 40 FIAB Cc1cc(OCC(=O)Nc2cccc(C)c2C)nc(-c2ccc(F)cc2)n1 49006918 CBUGNFJVQXAAGM-UHFFFAOYSA-N 365.408 4.225 0 40 FIAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccccc1OCc1ccccc1F 49549894 IQOBRNXCEXEMTF-OAHLLOKOSA-N 351.381 4.262 0 40 FIAB Cc1ccc(-n2nnc(C(=O)NCCC3=CCCCC3)c2C)cc1Cl 51317773 FGHQUNSXLXKIKU-UHFFFAOYSA-N 358.873 4.158 0 40 FIAB Cc1nc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cs1 58493015 FSKAMJNQGLGOOT-UHFFFAOYSA-N 361.470 4.385 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@@H](c2cnn(C)c2)S1 71287426 BWALXWLVLZSJIQ-MRXNPFEDSA-N 359.499 4.494 0 40 FIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H](C)c1ccncc1 72067599 IDORTXUQFNGEFE-AWEZNQCLSA-N 365.462 4.214 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Cl)nc2C)cc1 72217938 NYLCCADYHLDGNX-QGZVFWFLSA-N 364.898 4.268 0 40 FIAB Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72218771 NZNIIVQAXRBYAV-LJQANCHMSA-N 353.466 4.320 0 40 FIAB O=C(OC1CN(c2nc3ccc(F)cc3s2)C1)c1ccc(Cl)s1 77200615 JDKMNOKRABREMF-UHFFFAOYSA-N 368.842 4.196 0 40 FIAB O=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)[C@H]1CCCO1 78935703 WABBVQJQBGYWHO-CQSZACIVSA-N 353.205 4.298 0 40 FIAB C[C@H](Nc1cccc(N2CCCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 96003541 WANULFVADKJCOY-ICSRJNTNSA-N 363.505 4.136 0 40 FIAB O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(-n2cccc2)c1 96013948 MANFIIOCWHNJAM-CTNGQTDRSA-N 364.420 4.267 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCCO)c2ccccc23)s1 96241580 FZWSWCBRKXHXIM-FQEVSTJZSA-N 357.519 4.044 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)CC(C)(C)O2 219289570 JMZBSVWCGRKMCF-CRAIPNDOSA-N 369.461 4.190 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219597709 WBCNAHNLNDYIMZ-RTBURBONSA-N 371.477 4.437 0 40 FIAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222581051 XAGDBFWIAPNSND-MZPVMMEZSA-N 359.882 4.333 0 40 FIAB COc1ccc(C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1C 222962872 IWTLTPQLHGXADE-UHFFFAOYSA-N 369.852 4.047 0 40 FIAB O=C(NCCc1ccc(F)cc1)c1ccc(CN2CCc3ccccc32)cc1 224336687 UJFMZEIRRRICAA-UHFFFAOYSA-N 374.459 4.361 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224690383 JTQBECODJKMEII-QZTJIDSGSA-N 367.489 4.225 0 40 FIAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(C)cc1 224693873 UCNDMYXFHJWPOU-UHFFFAOYSA-N 372.259 4.112 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C 225027202 FAFHXFIJANIJKZ-UHFFFAOYSA-N 366.461 4.318 0 40 FIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 225463522 DLEXSKDLHOOTGF-LLVKDONJSA-N 350.871 4.405 0 40 FIAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCCC1 225656102 WCTRPLNXUWKKRY-CQSZACIVSA-N 369.889 4.432 0 40 FIAB O=C(NCc1cccnc1-c1cccs1)C1(c2ccc(F)cc2)CC1 225762031 GDQXXOVWSKPHAY-UHFFFAOYSA-N 352.434 4.297 0 40 FIAB O=C(CC1CCCCC1)N1CCCC[C@H]1c1nnc(-c2ccncc2)o1 257229642 FYXBHPGRMRLEHY-KRWDZBQOSA-N 354.454 4.156 0 40 FIAB O=C(C1CCCC1)N1CC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257240681 HUQNVJRILMEHIX-MRXNPFEDSA-N 358.869 4.425 0 40 FIAB CCN(Cc1ccccc1)C(=O)c1nc(-c2ccn(C)c2)n2ccccc12 306123168 AFYVOLGZPNMOEO-UHFFFAOYSA-N 358.445 4.002 0 40 FIAB Fc1ccc(CN2C[C@@H]3Cc4cnc(Nc5ccccc5)nc4[C@H]3C2)cc1 306131148 JXUSTSWZHHXBMD-PXNSSMCTSA-N 360.436 4.131 0 40 FIAB O=C(COc1ccccc1)NCCSCc1ccc(Cl)cc1Cl 408905982 BQKOEGZXPLSBJN-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)cc1C 409231517 JOMAFMZKGWEHDY-UHFFFAOYSA-N 368.502 4.092 0 40 FIAB COc1ccc2c(NC(=O)[C@H](Oc3cccc(Cl)c3)C(C)C)n[nH]c2c1 1139541021 MPUAZFHILSFXSX-QGZVFWFLSA-N 373.840 4.267 0 40 FIAB C[C@@H](CC(F)(F)CN(Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)O 1525713889 QJPUGVDUNLVIJL-ZDUSSCGKSA-N 357.397 4.170 0 40 FIAB CCOP(=O)(OCC)[C@H]1C[C@@H]2C(=O)CCC[C@@H]2N1Cc1ccccc1 1547139833 UATNRRXZECKLMU-LNLFQRSKSA-N 365.410 4.222 0 40 FIAB Cc1sc2ncnc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1C 781910 YUMRPKKSQRWAPL-LLVKDONJSA-N 369.515 4.378 0 40 FIAB COc1ccc2cc(C)c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nc2c1 932978 HMXGZNKTQWYJIV-GJZGRUSLSA-N 358.507 4.433 0 40 FIAB O=C(N[C@H](Nc1ccccc1Cl)C(=O)c1ccccc1)c1cccs1 1013820 NDLZBJYYEKFWDS-SFHVURJKSA-N 370.861 4.452 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=S)Nc3ccccc3C)CC2)cc1 1336926 ZZQGAXKKOAKCDT-UHFFFAOYSA-N 368.502 4.295 0 40 FIAB CC(C)OC(=O)CSc1nc2ccccc2n1Cc1ccccc1F 1381415 OSDMHXQWWVSLCI-UHFFFAOYSA-N 358.438 4.267 0 40 FIAB Cc1cccc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)cn12 2502428 PJRXOGOJAPAWTC-UHFFFAOYSA-N 363.442 4.111 0 40 FIAB O=C(c1cccc(CN2CC=CC2)c1)c1ccc(Br)c(F)c1 2515403 TZAPRFRPFRPXKM-UHFFFAOYSA-N 360.226 4.191 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(-c2nc3cccnc3s2)cc1 2961263 SQAPYHPZSFYJPP-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB Cc1ccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2)c(Br)c1 3454162 IGFKUYNBVSVJOH-AWEZNQCLSA-N 361.283 4.217 0 40 FIAB Cc1cc(Br)cc(Cl)c1OCC(=O)NC1CCCCC1 3606087 IMTBQUQTDXPRLV-UHFFFAOYSA-N 360.679 4.239 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cccc(Br)c1 4163650 JLPGBXHSEYQHAL-UHFFFAOYSA-N 357.207 4.060 0 40 FIAB COc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1ccc(F)cc1)=N2 4168690 AWRGDJXQFQCEHL-UHFFFAOYSA-N 363.367 4.407 0 40 FIAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4554024 PIAFPXSBGJJXFL-GOSISDBHSA-N 371.506 4.342 0 40 FIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 4697168 KNOYMEAZPBUJMH-CLWVCHIJSA-N 365.351 4.113 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 4965474 IRADYNZOTKFFPF-UHFFFAOYSA-N 351.450 4.186 0 40 FIAB CCCOc1c(Cl)cc([C@@H]2NC(=O)c3ccccc3O2)cc1OCC 4997891 CAYJDYFWEVRIMU-LJQANCHMSA-N 361.825 4.349 0 40 FIAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 5017675 ZBXDILHDMKPLCT-VQTJNVASSA-N 363.457 4.339 0 40 FIAB CCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CC1 5046538 GCFJWMMGLWBENW-UHFFFAOYSA-N 365.473 4.204 0 40 FIAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 5296468 JOVMGMZFXVTCIX-CUWPLCDZSA-N 371.502 4.265 0 40 FIAB COc1ccc([C@@H](CC(=O)NCc2ccco2)c2ccc(F)cc2)cc1 5478218 IMOXEHIRTOOPRW-FQEVSTJZSA-N 353.393 4.266 0 40 FIAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 5745383 ACHMKNYOYOLVSM-JOCHJYFZSA-N 370.452 4.292 0 40 FIAB C=CCn1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc21 6967296 PLFFYYAUJXEQLF-DEDYPNTBSA-N 371.440 4.229 0 40 FIAB CCOc1ccc(Oc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 7444034 YYLZQCWCZBXWAU-UHFFFAOYSA-N 350.353 4.146 0 40 FIAB COc1cc2c(cc1OC)CN(C(=S)Nc1ccc(C)cc1C)CC2 8684739 CIJJDPQQSZTEHC-UHFFFAOYSA-N 356.491 4.076 0 40 FIAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O 8942849 PQDDNDQIEGYSLO-LJQANCHMSA-N 360.816 4.227 0 40 FIAB O=C1C[C@@H](C(=O)Nc2ccccc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 9319799 WWEYMRGGKJQCLV-DOTOQJQBSA-N 360.413 4.002 0 40 FIAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9461929 ZZORFHOAIQHLPI-UHFFFAOYSA-N 354.837 4.234 0 40 FIAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1cccc2ccccc12 9616960 KOYGZNMPEQWWLL-UHFFFAOYSA-N 363.804 4.062 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)Nc3ncccc3C)s2)cc1OC 9883519 ZBNVQQZFTAXFAV-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB CCOc1ccccc1-c1nn2c(COc3ccc(C)cc3)nnc2s1 10311974 DMBWVMMQCTVDMF-UHFFFAOYSA-N 366.446 4.139 0 40 FIAB CC(=O)NCc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 12599489 ZVWHBCHCTBGKEB-UHFFFAOYSA-N 365.458 4.007 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)NCCN(C(C)C)C(C)C 12768167 QCSBSXXWIBALQA-UHFFFAOYSA-N 351.541 4.029 0 40 FIAB C[C@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)C(=O)O 12779980 VVTLBXCDYVXDMO-BBRMVZONSA-N 373.499 4.073 0 40 FIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 12869153 DSPYQYYWJVNVDC-UHFFFAOYSA-N 367.232 4.429 0 40 FIAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1OC 14093903 DQLSYPFXPSGPCN-UHFFFAOYSA-N 370.380 4.069 0 40 FIAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@@H]1c1cccs1)O[C@H](C)C2 14139023 ZMPBTSMQSCXUJF-UBULPXNDSA-N 369.486 4.457 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1OC 20045945 SNAOCJPFXXXZFO-STQMWFEESA-N 363.841 4.002 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(O)=N2 20745703 MVXGYNSFHGKLEC-GFCCVEGCSA-N 373.338 4.113 0 40 FIAB O=C(CCCc1nc(-c2ccco2)no1)Nc1cccc(C(F)(F)F)c1 20894312 GPHUUAHLFOFPSG-UHFFFAOYSA-N 365.311 4.310 0 40 FIAB O=C(c1cccc(OCc2cscn2)c1)N1CC[C@@H]2CCCC[C@H]2C1 21905452 FBQRBHGGDMRPAG-RDJZCZTQSA-N 356.491 4.374 0 40 FIAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 24830070 JEHDGEQTFVYHDC-DRUFCSCSSA-N 362.473 4.194 0 40 FIAB CC(C)COCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 25343853 WLPWBMBUWQJPKC-UHFFFAOYSA-N 363.461 4.089 0 40 FIAB COc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCCC1 27584390 OURQMZCUXZZDFC-OAQYLSRUSA-N 366.505 4.351 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2cccc(OC)c2)c1C 27661533 ADYSYGFEPJMLNZ-ZDUSSCGKSA-N 361.463 4.180 0 40 FIAB CCCCCC[C@H](C)NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 29326441 NMBSYABSBCNUMX-SFHVURJKSA-N 373.541 4.471 0 40 FIAB CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)[C@@H](c2ccccc2)C1 30030078 FVOPLDLRLKAKNS-LJQANCHMSA-N 364.420 4.215 0 40 FIAB C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 32356731 WTIJVPOIDWTJNC-VEGGFIAOSA-N 373.456 4.079 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 33214648 YVRVPUYDAUKLOQ-UHFFFAOYSA-N 374.400 4.152 0 40 FIAB Clc1ccc(-c2noc(-c3cccnc3NCc3ccccn3)n2)cc1 33317798 ZTGCPBLQFNENHU-UHFFFAOYSA-N 363.808 4.459 0 40 FIAB COc1ccccc1C(=O)Nc1ccccc1NC(=O)CC1CCCC1 36709600 ZJJLYKVKSDKPIA-UHFFFAOYSA-N 352.434 4.466 0 40 FIAB COc1ccccc1CCNC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 40067797 VIIBEJQSBQDOKA-HNNXBMFYSA-N 352.434 4.387 0 40 FIAB CCCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 40104259 YNLSSUIOVXIMFT-UHFFFAOYSA-N 351.450 4.023 0 40 FIAB Cc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c(C)c1 40106718 IDIJRRZIVVZQIV-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2cccs2)c(Br)c1 40141247 STYBKIBVNIJARZ-NEPJUHHUSA-N 368.296 4.464 0 40 FIAB Cc1ccc(-c2nc(CN3CCC[C@H]3c3nnc4ccccn34)co2)c(C)c1 44073397 XLDYJFXRAHEMJW-IBGZPJMESA-N 373.460 4.338 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1csc(-c2cnccn2)n1 44123110 INENNHCCHHGWIJ-UHFFFAOYSA-N 372.453 4.120 0 40 FIAB COC(=O)Nc1ccc(NC(=O)N(C)Cc2c(F)cccc2Cl)cc1 47583976 LVHAMHGACWALRC-UHFFFAOYSA-N 365.792 4.321 0 40 FIAB CSCC[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 49595332 ZPXKYDHKEXOBTP-SFHVURJKSA-N 365.502 4.205 0 40 FIAB COc1ccc(CN(C)Cn2ncn([C@@H](C)c3ccccc3)c2=S)cc1 54424981 RJFYKHIPZDIIQA-INIZCTEOSA-N 368.506 4.121 0 40 FIAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Nc1cccc2cnccc12 58376942 LEVRNZCWJYTWFE-GOSISDBHSA-N 363.465 4.385 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 58412440 QIADBNRTUYAKAR-NSHDSACASA-N 367.474 4.149 0 40 FIAB C[C@@H]1CCN(C(=O)c2cccc(N3CCOC3=O)c2)c2ccccc2S1 71919158 MDPVBIRXMCWIQV-CQSZACIVSA-N 368.458 4.174 0 40 FIAB NNc1nc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2s1 72229802 YJCSGUAELQLNMV-UHFFFAOYSA-N 353.234 4.141 0 40 FIAB COCCSCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 75720574 OKGVVOFLHLMJIA-UHFFFAOYSA-N 356.900 4.090 0 40 FIAB Fc1cccc(N2CCCC2)c1CNCc1cn2cc(Cl)ccc2n1 78890247 YJBBNQVPNMVNKE-UHFFFAOYSA-N 358.848 4.017 0 40 FIAB O=C(c1cc(F)cc(F)c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 79094178 DPAXUKHTOVFHJV-LJQANCHMSA-N 373.424 4.402 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 79502183 HAIDJXUGJKCYLK-MRXNPFEDSA-N 354.435 4.142 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F 84544686 GQUDDXBNUDRGSD-CVEARBPZSA-N 351.372 4.239 0 40 FIAB CCOc1cc(-c2nc(-c3ccccc3Br)n[nH]2)ccc1O 85384623 RWTUETCKXRGCKV-UHFFFAOYSA-N 360.211 4.006 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCCSCC2)c1 89981123 ARGRRCUDVOSMQZ-HXUWFJFHSA-N 354.519 4.422 0 40 FIAB O=C(Nc1cccc2cccnc12)C(=O)N1CCCCC[C@H]1c1ccccc1 95954142 HXUUWWXKRZIGMK-FQEVSTJZSA-N 373.456 4.317 0 40 FIAB CCCN1CCC[C@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 97164391 KNEFLGGCODCPKI-KRWDZBQOSA-N 350.422 4.471 0 40 FIAB COc1ccc(C2=C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102063872 LNLZHMCOEPQZLX-OAQYLSRUSA-N 354.413 4.496 0 40 FIAB COC(=O)/C(Br)=C\N(Cc1ccccc1)Cc1ccccc1 104138700 WDQMSZWGDPMVNM-SAPNQHFASA-N 360.251 4.098 0 40 FIAB Cc1nc2ccc(OC(=S)N3CC[C@H](c4ccccc4)C3)cc2nc1C 107979381 RFPPHFVZGONAQD-KRWDZBQOSA-N 363.486 4.400 0 40 FIAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(C)cc1 216823880 BUMPXKPGJZHSNT-UHFFFAOYSA-N 359.813 4.258 0 40 FIAB CC[C@H](NC(=O)COc1ccccc1Cl)c1ccc(OC)c(OC)c1 218851378 BNUJOHROUNHFNH-HNNXBMFYSA-N 363.841 4.004 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222712776 WIGKCGDRUCCMSN-FUHWJXTLSA-N 369.461 4.109 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222796177 RXXSLDXYNNFOMT-RBUKOAKNSA-N 366.465 4.004 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222845798 FMZNOSIKQVCKLY-AWEZNQCLSA-N 374.868 4.194 0 40 FIAB O=C(CCc1ccccc1F)NCCSCc1ccc(Cl)cc1 223320310 BEYCZIJABRXLIR-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB CCOc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224687730 PGBFAMOOROFYKL-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB CCc1ccc(NC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 224844783 VLJZFGTZAVMTNQ-UHFFFAOYSA-N 350.418 4.484 0 40 FIAB CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224947853 YUHKDGYHNXPIOU-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(C)cc2)cc1Cl 225311614 VHUGMTRQNVFWGA-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB CCOc1ccc(CNC(=O)CCc2ccc(C)c(C)c2)cc1OCC 225638746 YMTOBGXCTSTQRF-UHFFFAOYSA-N 355.478 4.350 0 40 FIAB O=C(c1ccc(Br)o1)N1CCc2cc(-c3ccncc3)ccc21 225639403 HUHZBVKDVUXTJH-UHFFFAOYSA-N 369.218 4.307 0 40 FIAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3ccoc3)cc2)cc1 390830376 KQYKUZJXPKRUHK-UHFFFAOYSA-N 362.429 4.325 0 40 FIAB Cc1cc(C)n(-c2cccc(NC(=O)c3cnc(-c4ccco4)s3)c2)n1 504319049 TZQHYKTYZIUPCY-UHFFFAOYSA-N 364.430 4.458 0 40 FIAB Cc1c(NC(=O)C[C@H]2C[C@@H]2C)cccc1C(=O)N1CCc2sccc2C1 577904642 OCBYOSJYSQKPAX-XJKSGUPXSA-N 368.502 4.240 0 40 FIAB CCc1cc(C(=O)Nc2ccc(C(N)=O)cc2)sc1-c1ccccc1 585152318 ORPRTPQGJNANHI-UHFFFAOYSA-N 350.443 4.329 0 40 FIAB C[C@@H]1N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)c2ccccc2C1(C)C 619020961 AFSROHHOCZJYCA-HNNXBMFYSA-N 362.473 4.217 0 40 FIAB Cc1cccc(-c2cccc(C(=O)N[C@H](C)C(=O)NCc3ccccc3)c2)c1 1125386065 XGOHMTGJDNBMQV-GOSISDBHSA-N 372.468 4.097 0 40 FIAB Cc1c(C(=O)N2CC(C)(C)c3ccccc32)cnn1-c1ccc(F)cc1F 1543728481 BDNSYEBOJDVMDF-UHFFFAOYSA-N 367.399 4.397 0 40 FIAB CCOc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OC 667567 LBLIJOAJZKASPW-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB O=C1C[C@](/C=C/c2ccccc2)(C(=O)NC2CCCCC2)N1c1ccccc1 800279 AOIGFRCRSRUIGA-GQRCBVMOSA-N 374.484 4.324 0 40 FIAB CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 846104 VUERGBIQBKXTPP-UHFFFAOYSA-N 364.401 4.112 0 40 FIAB CC[C@H](C)n1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2377077 UIFJZUHLWWPFQT-JTQLQIEISA-N 357.479 4.137 0 40 FIAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccccc1)SCC(=O)N2 2450888 WDUCYEKVEYVINO-QAPCUYQASA-N 371.506 4.096 0 40 FIAB CCCCOc1ccc(Nc2nc(SC)ncc2C(=O)OCC)cc1 2761124 TWHWLMCHSITXRU-UHFFFAOYSA-N 361.467 4.298 0 40 FIAB Cc1ccc(C(=O)Nc2ncn(Cc3ccc(Cl)cc3Cl)n2)cc1 2794830 WGLBXVQNDCDVPO-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1c(F)cc(F)cc1Br 3342336 ZTVHINQOXNLLLB-UHFFFAOYSA-N 365.177 4.390 0 40 FIAB CC(=O)c1sc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc1C 3349275 NHOLBLTWJDKSNR-UHFFFAOYSA-N 364.426 4.137 0 40 FIAB COc1cc(OC)cc(OC(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 3413184 RKSSJAFCSGPTKL-VMPITWQZSA-N 352.308 4.341 0 40 FIAB Fc1ccccc1-c1nnc(SCc2cn3ccccc3n2)n1C1CC1 4278472 ALIONVWABDLNIG-UHFFFAOYSA-N 365.437 4.359 0 40 FIAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccccc3F)nn2)s1 4392214 ASCZCOCQNCYDMZ-UHFFFAOYSA-N 374.466 4.087 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 4406496 HMKRLCKMRZDQAE-MRXNPFEDSA-N 353.809 4.367 0 40 FIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc4c(c2)OCO4)N3)C1 4545434 ZNEANPQVODSFCL-QGHHPUGFSA-N 356.447 4.421 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(C)cc2)o1 4703707 KJHLVACFGBEHNC-UHFFFAOYSA-N 365.385 4.206 0 40 FIAB Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@H](c2ccco2)C3)cc1 4912811 YOQGRXSLGLAGIL-MRXNPFEDSA-N 363.413 4.494 0 40 FIAB COCCN(C(=O)c1cccc(C)c1)c1nnc(-c2ccccc2C)s1 4982460 TYKLSSFJVHTKFJ-UHFFFAOYSA-N 367.474 4.115 0 40 FIAB CCN1C(=O)[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21 5248911 FQRXKWVRZQYJFY-HSZRJFAPSA-N 366.424 4.196 0 40 FIAB O=C1O[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)Cc2ccccc21 5256029 UPTSSBNLKWOSRY-HXUWFJFHSA-N 359.381 4.199 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(Cl)cc(Cl)c1 5375314 CVURANXOTARDPZ-HNNXBMFYSA-N 354.189 4.292 0 40 FIAB Cc1ccc(S(=O)(=O)NCC(c2ccccc2)c2ccccc2)cc1 7310223 NGWZHUCJEAXEGB-UHFFFAOYSA-N 351.471 4.105 0 40 FIAB O=C(N[C@H](CC(=O)N1CCCCC1)c1ccccc1)c1ccccc1Cl 7736767 VBOYZMIDIXDBIT-LJQANCHMSA-N 370.880 4.214 0 40 FIAB O=C(CCC(=O)c1cccs1)NCCSc1ccc(Cl)cc1 8125071 FRUIRJNMWHIYAH-UHFFFAOYSA-N 353.896 4.273 0 40 FIAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(Cl)(Cl)Cl 9226485 XLYYRYXWPNFZNK-UHFFFAOYSA-N 361.612 4.149 0 40 FIAB O=C(NCCc1nc(-c2ccccc2)no1)c1cc2cc(Cl)ccc2o1 9303128 JHUOXGPQDDUTDK-UHFFFAOYSA-N 367.792 4.109 0 40 FIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCc3ccco3)cc2s1 9530464 UXIJGDVTDRLBSU-UHFFFAOYSA-N 365.458 4.269 0 40 FIAB O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)Nc1ccccc1 10844377 QOKRITIFNIRBCM-UHFFFAOYSA-N 363.383 4.356 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)c1 10856732 MOFUYZWBMDQZBR-FQEVSTJZSA-N 359.853 4.435 0 40 FIAB Cc1cccn2cc(COc3ccc(C(=O)N4CCCCCC4)cc3)nc12 11559133 UMXNPJZJIVGHLS-UHFFFAOYSA-N 363.461 4.238 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3cccc(Cl)c3)ccc21 11612970 GTUQVLWFPVZYMH-UHFFFAOYSA-N 356.897 4.475 0 40 FIAB O[C@]1(c2ccc(F)cc2)CCCN(Cc2c[nH]nc2-c2cccs2)CC1 12143579 QOSQEVMEQRHQLW-HXUWFJFHSA-N 371.481 4.151 0 40 FIAB CC(=O)c1cc(C(=O)N[C@H](c2ccncc2)c2ccccc2C)cs1 12148527 WGPFVHVIUCTLAF-LJQANCHMSA-N 350.443 4.174 0 40 FIAB Fc1cccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)c1F 12388893 WFRYVPRAAFKHKO-UHFFFAOYSA-N 365.368 4.346 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(N(C)C)cc1 12542605 BGZMOQCPFFIFCC-UHFFFAOYSA-N 369.446 4.220 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2C)cs1 12733392 WLTJGLRDBQCPID-UHFFFAOYSA-N 363.486 4.428 0 40 FIAB Cc1nc(C)c(-c2nnc(SCc3cc(-c4ccco4)on3)o2)s1 12809155 AYNGRVMMVCVZLK-UHFFFAOYSA-N 360.420 4.350 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2C)cc1 12851857 XYONMBVOKDMSPF-UHFFFAOYSA-N 352.463 4.253 0 40 FIAB CCc1cccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 12854731 ZEFJRZGTWSEBFF-UHFFFAOYSA-N 356.429 4.294 0 40 FIAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(=O)[nH]c2ccccc12 14093912 IHETUSDBXDTIOW-UHFFFAOYSA-N 364.735 4.035 0 40 FIAB O=C(Cc1cccs1)Nc1ccnn1Cc1cccc(Cl)c1Cl 14196485 AHEWSGQKCVNYJB-UHFFFAOYSA-N 366.273 4.481 0 40 FIAB Cc1c(C(=O)OCc2ccc(Cl)cc2)nnn1-c1cccc(Cl)c1 16842453 RDOLIIMZOCBDRY-UHFFFAOYSA-N 362.216 4.240 0 40 FIAB Cc1ccc(-c2nc3n(c2CNC(=O)c2ccccc2C)CCS3)cc1 17051291 DTOWLKKOFHVODF-UHFFFAOYSA-N 363.486 4.203 0 40 FIAB COc1cccc(CN2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)c1 19120929 QUCBZICFGIWULC-SFHVURJKSA-N 352.438 4.109 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(C(=O)O)c1C 20295758 RIFZCRBVRRABKX-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(F)cc1Cl 22088277 AAITXTCJRITZTR-UHFFFAOYSA-N 355.800 4.406 0 40 FIAB Cc1noc(C)c1CN(C(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1 22192152 MGENZLVULKXJCL-INIZCTEOSA-N 353.249 4.409 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(F)cc2Br)c(C)c1 23040639 QMIUPRVXSPCTJV-UHFFFAOYSA-N 350.231 4.477 0 40 FIAB COc1ccc(CCC(=O)OCc2coc(-c3ccccc3)n2)cc1OC 24291652 WYWUACCUFZAULK-UHFFFAOYSA-N 367.401 4.035 0 40 FIAB COc1ccc(C[C@H](NC(=O)C[C@@H]2C=CCC2)c2ccc(OC)cc2)cc1 25919530 UUKOIUFNSMGDEZ-VGSWGCGISA-N 365.473 4.460 0 40 FIAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)[C@H]1C[C@@H]1c1ccccc1 28245939 OFQKQDQIDHUMIR-YADHBBJMSA-N 364.489 4.294 0 40 FIAB CCOCc1ccccc1CNC(=O)c1csc(-c2cccs2)n1 30508987 JCIIOZXXANRODL-UHFFFAOYSA-N 358.488 4.338 0 40 FIAB CC(C)CC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(C(F)(F)F)C1 32100734 YDLANOVWBGXLQE-GOSISDBHSA-N 370.415 4.483 0 40 FIAB Cc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 32193622 BKRWHGIBGCZPPU-UHFFFAOYSA-N 356.223 4.400 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)cc2F)cc1 36353634 VKQOPUMWKNBUOR-OAHLLOKOSA-N 355.344 4.283 0 40 FIAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)nc1 40073965 AAFZMFXKVCTIMO-INIZCTEOSA-N 361.445 4.221 0 40 FIAB O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1cccc(Cl)c1Cl 40097525 ISOZDLIPQKTVSD-CYBMUJFWSA-N 361.175 4.127 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)N[C@@H](C)c2cccc(F)c2)o1 40130444 BYHXCOWZGQYUBE-AWEZNQCLSA-N 369.392 4.497 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Cl)c2ccccc12 41095709 BYIHADFRKDITCO-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB Cc1nc(CSCCC(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)cs1 42398826 VAHCMARQUHJPSE-BLLLJJGKSA-N 364.536 4.450 0 40 FIAB O=C(Nc1cccc(Cn2ccnc2)c1)N1CCC[C@@H]1c1ccsc1 48277957 YDUXPRLZCKZZSG-GOSISDBHSA-N 352.463 4.362 0 40 FIAB COc1cc(CNC(=O)CCc2ccsc2)ccc1OC1CCCC1 48281464 GEPNZJKONCJVNF-UHFFFAOYSA-N 359.491 4.327 0 40 FIAB CN(C)c1cc(CNC(=O)c2sc3cc(F)ccc3c2Cl)ccn1 48302426 LOTMYMQZRZPCBI-UHFFFAOYSA-N 363.845 4.085 0 40 FIAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(Cl)cc3)C2)o1 49169993 BGSMZKUCSBQTTB-HNNXBMFYSA-N 369.852 4.388 0 40 FIAB biogenic,in-vitro CCOC(=O)c1ccccc1NC(=O)Nc1cccc(Br)c1 51354340 OFVQOUWHQHSPOR-UHFFFAOYSA-N 363.211 4.270 0 40 FIAB O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1 57230890 ZGIOWTQUBZEMQU-UHFFFAOYSA-N 366.392 4.168 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1Cl 57992581 LVSZJVXFWVCKPR-ZDUSSCGKSA-N 373.305 4.096 0 40 FIAB COc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3[nH]2)cc1OC(F)F 58105915 QMXKDDIQOGOEMH-JTQLQIEISA-N 362.332 4.091 0 40 FIAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(Cl)c(Cl)c1 59294638 MZCBMHBGBJZOMT-UHFFFAOYSA-N 360.653 4.169 0 40 FIAB CC(=O)Nc1cc(NC(=O)CC2(CC(=O)O)CCCCC2)ccc1Cl 63640232 KCUILVNMRIMNGR-UHFFFAOYSA-N 366.845 4.052 0 40 FIAB Fc1ccccc1[C@@H]1CN(Cc2nc(-c3cccc(Cl)c3)no2)CCO1 66846820 DNONSMUHTZMAQD-KRWDZBQOSA-N 373.815 4.103 0 40 FIAB Cc1cc(C)c(-c2nc(CC(=O)NCc3ccco3)sc2C)cc1C 68127999 DFWYJIYACFOALN-UHFFFAOYSA-N 354.475 4.496 0 40 FIAB C[C@H]1CC(C)(C)C[C@](CO)(NCc2nc(-c3ccccc3Cl)no2)C1 72308138 ZEXBWCCNYCWSLU-ORAYPTAESA-N 363.889 4.057 0 40 FIAB Cc1noc(C)c1-c1nc(NCc2cccs2)ncc1-c1ccncc1 72342862 NLBRIFYTHXVBHD-UHFFFAOYSA-N 363.446 4.484 0 40 FIAB CCC(CC)N(CC(C)C)C(=O)c1cccn(Cc2cccc(C)c2)c1=O 75093512 UCBGAJVFMGBQRF-UHFFFAOYSA-N 368.521 4.492 0 40 FIAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)c1 95946193 SJNXYVAXABQVBK-IBGZPJMESA-N 366.442 4.128 0 40 FIAB O=C(c1cccn1C1CC1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 95995258 ZZXVBJWWMWXDFK-FQEVSTJZSA-N 366.486 4.261 0 40 FIAB COc1ccc(C(=O)O[C@@H](c2ccc(Br)cc2)C2CC2)cn1 97002111 BZZVKOPKETVZSS-MRXNPFEDSA-N 362.223 4.161 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)n1 100286876 FXEUXGJGTLZYPZ-WMFXKJRFSA-N 358.554 4.110 0 40 FIAB COc1ccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)c(OC)c1 101027063 KKSSQWRZYBAABI-KRWDZBQOSA-N 368.824 4.005 0 40 FIAB Cc1ccc2nc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)sc2c1 102261297 HRCZTVSUSVLHRR-RCRDTURJSA-N 356.491 4.265 0 40 FIAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2ccc(Cl)cc2)c1 224070872 GYZHXUGCGVEAGD-UHFFFAOYSA-N 351.899 4.084 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)NCCOCc1ccccc1 225145320 AWUABSCWEHOIQN-UHFFFAOYSA-N 367.873 4.045 0 40 FIAB Cc1ccc(CNC(=S)Nc2nc(Cl)cc(Oc3ccccc3)n2)o1 225916877 KJWOIULXTMISAL-UHFFFAOYSA-N 374.853 4.310 0 40 FIAB CC[C@H](C(=O)NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399876 KCLRVWGZKVUOLU-FXAWDEMLSA-N 371.527 4.356 0 40 FIAB COCCC(=O)N[C@]1(C)C[C@H](c2cccc(F)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257304128 SKEQFZXYOGJDGR-BLVIHDEWSA-N 363.473 4.003 0 40 FIAB CCN1C(=O)N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409232566 RGQIQFJBCVOOQD-PTNGSMBKSA-N 358.850 4.404 0 40 FIAB COC(=O)[C@H](CNC(=O)Nc1cccc2ccsc12)c1ccc(C)cc1 501218571 PQSLITFFQXXZIT-MRXNPFEDSA-N 368.458 4.288 0 40 FIAB Cc1nc(CN(C)[C@H]2CCCN(Cc3ccc(C4CCC4)cc3)CC2)no1 512873697 DIKXOXFGGXNJEI-NRFANRHFSA-N 368.525 4.132 0 40 FIAB CC(C)[C@H](NC(=O)Nc1nc(C2CCC2)cs1)c1nc(C2CC2)no1 518065519 JPKNKYBVPAJVSM-ZDUSSCGKSA-N 361.471 4.190 0 40 FIAB Fc1ccc(CC2(NCc3ccc4c[nH]nc4c3)CCOCC2)c(Cl)c1 549905128 OQVYCTXZBGLCTO-UHFFFAOYSA-N 373.859 4.237 0 40 FIAB Cc1[nH]nc2ncc(CN(C)[C@H](C)Cc3ccccc3C(F)(F)F)cc12 575164168 XMPJRMTWCQKMTB-GFCCVEGCSA-N 362.399 4.348 0 40 FIAB Cc1cc(OC[C@@]2(O)CCCN(C3CCCCC3)C2)cc(C)c1Cl 585282174 YNOANOUWIURABP-HXUWFJFHSA-N 351.918 4.495 0 40 FIAB OCCC1(CNc2nc(-c3ccccn3)nc3sccc23)CCCCC1 1185611097 BLZYSHJDXGEQTN-UHFFFAOYSA-N 368.506 4.498 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 836025 NMGHQAURAGDOPZ-UHFFFAOYSA-N 373.408 4.347 0 40 FIAB O=C(Cc1ccccc1)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl 1446758 AXEUVVZJFIGQHM-OAHLLOKOSA-N 358.652 4.121 0 40 FIAB C[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 2003273 RNOJGTHBMJBOSP-KRWDZBQOSA-N 357.233 4.392 0 40 FIAB biogenic,in-vitro c1ccc2nc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)ccc2c1 2265250 FXTURFNCQIOLNS-UHFFFAOYSA-N 357.442 4.433 0 40 FIAB COc1ccc(CCNC(=O)c2ccc(COc3ccccc3)cc2)cc1 2633364 QLZVMRFDKSYMEV-UHFFFAOYSA-N 361.441 4.247 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 3611523 FRJZDRCTGWCQCD-UHFFFAOYSA-N 362.385 4.295 0 40 FIAB COc1cc(CCNCc2cccc(O)c2)ccc1OCc1ccccc1 3847250 MWOFZDGTXULLFY-UHFFFAOYSA-N 363.457 4.312 0 40 FIAB biogenic COc1cccc(-c2cc(C(F)(F)F)nc(N3CCC(C)CC3)n2)c1 3894526 ZIJDGZRQPGLGMG-UHFFFAOYSA-N 351.372 4.407 0 40 FIAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 4140321 NDSMUUMNRYBCPP-NBGIEHNGSA-N 361.422 4.410 0 40 FIAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(F)cc2)cc1Cl 4354516 FCQFEHBSMPSAFT-UHFFFAOYSA-N 369.787 4.360 0 40 FIAB Cc1ccccc1C(=O)N(CCN(C)C)c1nc2c(Cl)cccc2s1 4359323 FLNNPMUJSPVNGD-UHFFFAOYSA-N 373.909 4.467 0 40 FIAB COc1ccc(C(=O)Nc2ccc(OC(F)(F)C(F)F)cc2)cc1OC 4474851 YGBDJEHSQRGOPS-UHFFFAOYSA-N 373.302 4.193 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C 5099450 NIOPRYCEUWDJPG-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccccc2)N1c1ccccn1 5206161 NWYGFTJOXMNBLR-IBGZPJMESA-N 372.355 4.077 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)cc1C 5215635 AIEYNBUAEPGHHR-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Cc1cccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1 5269824 UDYADRSOWCMLNH-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB C[C@@H](Sc1nc(Cc2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 5487367 SBPSYIMLWZBCDX-GFCCVEGCSA-N 372.881 4.168 0 40 FIAB Clc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1Cl 5575402 DNEVCAAACBNMSN-UHFFFAOYSA-N 351.218 4.203 0 40 FIAB CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=S 5867579 YLSUUHZHMLVBFG-LCYFTJDESA-N 366.364 4.043 0 40 FIAB CCOc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)ccc1O 6649655 NJAAUNRJKVZZIU-UKTHLTGXSA-N 368.820 4.099 0 40 FIAB O=C(COc1ccccc1Cc1ccccc1)N[C@H]1CCOc2ccccc21 7215658 ALVYPTUDHQTKDU-NRFANRHFSA-N 373.452 4.296 0 40 FIAB COc1cc(NC(=O)c2sc(-c3ccsc3)nc2C)cc(OC)c1 7404083 GWTFEULVNJMMOZ-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB O=C(/C=C/c1nc2ccccc2s1)OCC(=O)c1cc2ccccc2o1 7432796 BOOOEBFOSFGJFP-MDZDMXLPSA-N 363.394 4.482 0 40 FIAB O=C(C(=O)N1CCCCC1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604416 XNWYPEFVHNUMFK-UHFFFAOYSA-N 366.848 4.455 0 40 FIAB COc1cc(SC)ccc1C(=O)NCc1cccc(C(F)(F)F)c1 7715807 OUCLFLAOQAPSRA-UHFFFAOYSA-N 355.381 4.366 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1C 7997301 IRPGCKDNYOVQGS-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB CCCCc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC 8638589 QJSPPOVVGICBFF-UHFFFAOYSA-N 351.450 4.335 0 40 FIAB Cc1nn(C(=O)C[C@@H](C)n2nc(C)c(Br)c2C)c(C)c1Cl 8714504 CXZACRHFHBAGCN-SSDOTTSWSA-N 373.682 4.021 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1SC 11694355 AQNUQPAJWIGDOJ-UHFFFAOYSA-N 371.437 4.384 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(N(C)C)c3)s2)cs1 12396647 NDIFHGMGPQLHIA-UHFFFAOYSA-N 371.531 4.219 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 12538973 NWZJHUYZQJMSNI-SFHVURJKSA-N 373.456 4.034 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(C)c2)c1 12923322 ZVULOADTDKACAX-UHFFFAOYSA-N 352.463 4.172 0 40 FIAB CCCCNc1nnc(S[C@H](C)C(=O)N(C)C2CCCCC2)s1 12982084 MLWHYZXAAUCBQP-GFCCVEGCSA-N 356.561 4.022 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1cc(C)cc(C)c1)O[C@H](C)C2 13000762 AGJMPAZAFPUFFY-OAHLLOKOSA-N 355.434 4.043 0 40 FIAB COc1ccc(CNCC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1 13756202 RTMYNEJVZJZFHI-ROKPMTFOSA-N 366.549 4.473 0 40 FIAB O=c1[nH]c(-c2cccc(C(F)(F)F)c2)nc2ccc(Br)cc12 14187757 VYKFRAICZSDVKF-UHFFFAOYSA-N 369.140 4.371 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSc1ccc(Cl)cc1 14397200 MJLMJRQGTGQSBK-LBPRGKRZSA-N 353.846 4.155 0 40 FIAB Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)o1 15412718 IEGQVCDGLFGCRH-JOCHJYFZSA-N 374.440 4.326 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(Br)cc3F)sc2C1 15612226 YRWNHCVEBZRWGQ-MRVPVSSYSA-N 369.259 4.422 0 40 FIAB COc1ccc([C@@H]2[C@@H](NC(=O)CCc3cccnc3)[C@H]3CCCC[C@H]32)cc1 19557491 LFULXXCPPKFVOV-VAPSRWTKSA-N 364.489 4.111 0 40 FIAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 19943201 BILOSLUIQRVGCY-GASCZTMLSA-N 353.528 4.149 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c(C)c1 20144028 JSUARHBEJLLMRQ-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(F)cc1 21782813 KOGKTNODHMZODY-HXUWFJFHSA-N 365.408 4.185 0 40 FIAB COc1cc(C(=O)OCc2ccccc2)c(N)cc1OCc1ccccc1 22007079 RYRBFKYVUCZMJW-UHFFFAOYSA-N 363.413 4.213 0 40 FIAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1c(F)cccc1Cl 22931756 MNPWXGVEGNCOQS-KRWDZBQOSA-N 361.892 4.361 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1SC(F)F 23132746 YZYTZZPAAKEDRA-UHFFFAOYSA-N 362.401 4.380 0 40 FIAB COc1cc(NC(=O)Cc2ccc(OC(F)F)cc2)c(OC)cc1Cl 23787964 MIEYOAZTQHDZHL-UHFFFAOYSA-N 371.767 4.140 0 40 FIAB Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)cnn1-c1ccccc1F 26220629 HSLRFWIZPYNCGF-HNNXBMFYSA-N 351.425 4.071 0 40 FIAB O=C(CSCc1csc(-c2ccco2)n1)N1CCc2ccccc21 31420360 MCAVANWBUSNPAG-UHFFFAOYSA-N 356.472 4.226 0 40 FIAB Nn1cc(-c2ccccc2)nc1SCc1cc(F)cc2cccnc12 31606431 LMBDHQWDJUGVIR-UHFFFAOYSA-N 350.422 4.244 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1C 32669910 AKCBDWSVKOBXER-KYJSFNMBSA-N 363.523 4.022 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)SCc2nc(-c3ccccc3)no2)c1 32778901 CGEQPISGDOOVFW-CQSZACIVSA-N 353.447 4.305 0 40 FIAB CC(=O)Nc1ccc(SCCC(=O)Nc2ccnn2C2CCCC2)cc1 32871074 MNIWXGLCSSRWOD-UHFFFAOYSA-N 372.494 4.078 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@H]1CCN2CCCC[C@@H]12 32932458 IUXWWYNSGXOWSA-DOJOMBEPSA-N 370.493 4.310 0 40 FIAB COc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 38834171 CIRMMSKDWVYVPM-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB COc1ccccc1-c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)no1 40087389 QFKJDPQZBBMOAG-CYBMUJFWSA-N 354.381 4.323 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCCn1ccnc1 40157614 BYJBQMGMTLOALU-UHFFFAOYSA-N 374.897 4.179 0 40 FIAB C[C@@H](NC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cc2ccccc2o1 43992267 YLRZUMQURDGNJN-CYBMUJFWSA-N 351.406 4.017 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NC2CCCCCCC2)cc1OC 44841753 XDDSCNSEXNWOTO-CQSZACIVSA-N 351.512 4.414 0 40 FIAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 45715966 RDZCUPNOZUFSTO-HXUWFJFHSA-N 370.452 4.269 0 40 FIAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)Cc1ccc(Cl)cc1 45890847 IYZVAVGSFHBTBC-UHFFFAOYSA-N 361.898 4.048 0 40 FIAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)on1 48265080 XALNWLKZZMJMSA-UHFFFAOYSA-N 353.344 4.244 0 40 FIAB Cc1c(C(=O)Nc2ccc(Oc3ccncc3)cc2)[nH]c2c1C(=O)CCC2 50806086 XXRIKNKUNINTOT-UHFFFAOYSA-N 361.401 4.282 0 40 FIAB COc1ccccc1-c1n[nH]c(NC(=O)c2cc3cc(Cl)ccc3o2)n1 52778814 VWWRZSSDOYLSIB-UHFFFAOYSA-N 368.780 4.132 0 40 FIAB COc1ccc(Cn2cnc3cc(-c4ccccc4)sc3c2=O)cc1F 54772229 IWSRDHRFPKCDJK-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB Cc1cc(C)cc(N(C)C(=O)c2ccc(NC(=O)c3ccccn3)cc2)c1 55899187 PEPHRVQARBCVEF-UHFFFAOYSA-N 359.429 4.227 0 40 FIAB C[C@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1cccc(Cl)c1 58131649 KMMQKPBTQAIUST-ZDUSSCGKSA-N 373.840 4.175 0 40 FIAB O=C(Nc1cccc(CN2CCCC2=O)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 58224815 HYXKPJPRXAATPN-MOPGFXCFSA-N 368.864 4.205 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)OCc3nc4ccccc4o3)cc2)n1 61661774 UYAWSUMBRCDIKI-UHFFFAOYSA-N 361.401 4.046 0 40 FIAB COc1ccc2[nH]cc(C3CCN(C[C@H](O)c4ccc(F)cc4)CC3)c2c1 64483087 XCBIDBUCUGYESX-QFIPXVFZSA-N 368.452 4.229 0 40 FIAB Cc1ccc(Nc2n[nH]nc2C(=O)N2CC=C(c3ccccc3)CC2)cc1C 67284506 XMMBDPIDVQYRKI-UHFFFAOYSA-N 373.460 4.095 0 40 FIAB Cc1csc(CCCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 69370142 QEHSDOPEGLXQBF-ZDUSSCGKSA-N 352.887 4.011 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cccs1 69491013 NNYHNOFQEBEIBN-KBXCAEBGSA-N 372.534 4.490 0 40 FIAB O=C(OC1CN(c2nc3ccccc3s2)C1)c1c(F)cccc1Cl 77101006 DYUSGNSLXGCTTR-UHFFFAOYSA-N 362.813 4.134 0 40 FIAB CCOc1cc(CN[C@H]2CCCC[C@@H]2O)ccc1OCc1ccccc1 78761212 SXFBUBQJVWAWSR-PMACEKPBSA-N 355.478 4.057 0 40 FIAB COc1cccc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)c1OC 96759102 RBCBKVCEAXFSFO-UVTDQMKNSA-N 368.458 4.036 0 40 FIAB O=C(N1CCC(c2ccc(O)cc2)CC1)C1(c2cccc(Cl)c2)CC1 97150871 IWAWJNBRTTYGHQ-UHFFFAOYSA-N 355.865 4.483 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1Cl 101277136 IDIHVVFWWXCBGG-CYBMUJFWSA-N 369.635 4.391 0 40 FIAB COc1ccc(-c2csc(C3=C(O)CN(CC(C)C)C3=N)n2)cc1OC 102726851 UAWYUCWIOFYJFS-UHFFFAOYSA-N 373.478 4.045 0 40 FIAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 105148814 XRVZTHZDHJVNRN-GRDNDAEWSA-N 360.885 4.341 0 40 FIAB CCSc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccco2)s1 206684332 WEGQYJUWPKHAHJ-GOSISDBHSA-N 373.499 4.465 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 219029269 HXADGQVQRJGSKP-MSOLQXFVSA-N 363.457 4.499 0 40 FIAB O=C(NCc1ccc(Cl)cc1)N1CCS[C@@H](c2ccco2)CC1 219433049 FZWHKDAYAPOWFL-MRXNPFEDSA-N 350.871 4.323 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222839236 KUNHCDGVBNHLGV-VQTJNVASSA-N 362.502 4.253 0 40 FIAB COc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1F 223008937 XFOXCZOYOXUECJ-UHFFFAOYSA-N 353.846 4.037 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 223049501 QINZPLAMOHPUOY-OAQYLSRUSA-N 373.518 4.394 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223626965 VGABFOJMDSZWGC-SFHVURJKSA-N 363.457 4.419 0 40 FIAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccsn1 618238977 NYFXPUYXHWTOIT-INIZCTEOSA-N 370.396 4.279 0 40 FIAB CCc1ccc([C@H]2CCCCN2C(=O)c2cc3ccccc3c(=O)o2)o1 684738559 CGJFHXWAGKOSRC-QGZVFWFLSA-N 351.402 4.316 0 40 FIAB CCc1cc(O)nc(-c2cccc(NC(=O)c3ccc4cccnc4c3)c2)n1 1533983958 HDFVUHSYDKZSGX-UHFFFAOYSA-N 370.412 4.212 0 40 FIAB Cc1cncc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)c1 1615117117 ABFCBUQJDJCDAV-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB CCN(CC)c1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 1080957 SRKMAHYDQNVWHY-UHFFFAOYSA-N 353.418 4.323 0 40 FIAB biogenic COc1ccc(-c2csc3ncn(CCC(C)C)c(=O)c23)cc1OC 1945209 PDMMCOOMUGJINJ-UHFFFAOYSA-N 358.463 4.188 0 40 FIAB COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)c(OC)c1 2080161 HKGFXUADDTXHII-UHFFFAOYSA-N 363.841 4.463 0 40 FIAB CCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)cc21 2272733 FOWVBLQAHWIKHF-UHFFFAOYSA-N 360.429 4.019 0 40 FIAB COc1cc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)cc(OC)c1OC 2348964 YHCUWVNRGHEKFA-HXUWFJFHSA-N 373.474 4.108 0 40 FIAB Cn1cnc2c(sc3nnc(-c4ccccc4)c(-c4ccccc4)c32)c1=O 2581634 CQKDEJAITUIOHK-UHFFFAOYSA-N 370.437 4.272 0 40 FIAB O[C@H](COCc1ccc(Cl)cc1)CN1CC=C(c2ccccc2)CC1 2662641 BYAMWNBPPCGXMO-NRFANRHFSA-N 357.881 4.007 0 40 FIAB CCOC(=O)c1sc2nc(C)nc(Nc3ccc(OC)cc3)c2c1C 3261420 RBJVFMACBZBSHN-UHFFFAOYSA-N 357.435 4.237 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1 3404140 FFVKIEPPTYNVFB-UHFFFAOYSA-N 366.417 4.440 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 3483548 PYBYXTZKMABLCJ-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 4026878 JTZTZZVWEJMKLI-SABDPVTBSA-N 374.521 4.012 0 40 FIAB biogenic O=C(CSc1nc(-c2ccccc2)ns1)N1CCCc2ccccc21 4167215 GLBNRYRZDYZPBM-UHFFFAOYSA-N 367.499 4.277 0 40 FIAB COc1ccccc1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C 4476277 PNAGZSHTFRFZGC-UHFFFAOYSA-N 372.428 4.274 0 40 FIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCc2ccccc21 4667081 IIYSAFSOWWVSDF-UHFFFAOYSA-N 359.491 4.269 0 40 FIAB CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 4735827 KPJGFFOMAYSYGL-UHFFFAOYSA-N 357.431 4.361 0 40 FIAB Cc1cc(C)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)c1 4905690 SOOLFRYKGFOZAL-UHFFFAOYSA-N 370.452 4.126 0 40 FIAB O[C@@H]1c2cc(Br)ccc2-c2c(F)cc(Br)cc21 4962882 JOOPMXLJLQLGJA-CYBMUJFWSA-N 358.004 4.413 0 40 FIAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1cccc2ccccc12 5109778 ZZLNIKPEHPLPMD-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCC2 5355307 VUODPBNSCWLDJV-MDZDMXLPSA-N 361.850 4.329 0 40 FIAB CC(=O)c1cccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)c1 5362150 STAZUYSKLHUEDS-UHFFFAOYSA-N 371.458 4.015 0 40 FIAB C[C@@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 6455703 JBVTWEBCQFQXDE-GFCCVEGCSA-N 372.881 4.095 0 40 FIAB Cc1cc(F)ccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 6460424 WWERGKBZCSHNEX-UHFFFAOYSA-N 355.413 4.017 0 40 FIAB O=C(CSCc1cccc(F)c1)Nc1ccc(Br)cc1 7146175 AWYDKEAJGZSTPI-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CCCn1nnnc1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 7263429 GRLFAAZELQEWQA-UHFFFAOYSA-N 352.225 4.262 0 40 FIAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1Br 7878488 LGTOPUBDMIVNLP-NSHDSACASA-N 365.296 4.068 0 40 FIAB Cc1nc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc2o1 8110122 OATBOECFVYBQEV-UHFFFAOYSA-N 357.218 4.244 0 40 FIAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 8131884 IQFHIXOSWRYRRX-CQSZACIVSA-N 354.450 4.349 0 40 FIAB Fc1ccccc1-c1nnc(SCc2ccc3c(c2)OCO3)n1C1CC1 8133857 XGEZQOBQPISMEC-UHFFFAOYSA-N 369.421 4.440 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccsc2)c1 8923348 CUFTZOPESGJWPL-UHFFFAOYSA-N 352.415 4.261 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)C[C@H]3C=CCC3)n2)c(F)c1 9456120 LDQCJMRSYVNVGC-LBPRGKRZSA-N 359.426 4.202 0 40 FIAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1 9483397 XTYVIBKKNDVHGK-JTQLQIEISA-N 363.874 4.113 0 40 FIAB O=C(NCCCCOc1ccccc1)c1ccc(Br)cc1F 11080211 LDNYIGAWYLVPQG-UHFFFAOYSA-N 366.230 4.177 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc2ccccc2o1 11483491 SQJMYSDRSXPXFZ-UHFFFAOYSA-N 363.335 4.442 0 40 FIAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)N1CCc2ccccc21 11865930 QTGVYCRRQRCRHZ-IBGZPJMESA-N 366.486 4.302 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)N=C(O)CO3)cs1)c1ccccc1 11967391 HSOOQFMIGOPKMG-UHFFFAOYSA-N 351.387 4.043 0 40 FIAB Cn1ccnc1-c1cnc(NCc2cccc(F)c2)nc1-c1cccs1 12087747 CBHLEPNLBDGMJD-UHFFFAOYSA-N 365.437 4.357 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1Cl 12539264 WPXDOTXEWUGIDG-UHFFFAOYSA-N 372.787 4.080 0 40 FIAB CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 12738493 JXOGWLNPGZJSHO-UHFFFAOYSA-N 366.216 4.092 0 40 FIAB O=c1c2ccsc2ncn1Cc1nc(-c2ccccc2)c2ccccc2n1 12905844 SDQSSNOOIZYNJW-UHFFFAOYSA-N 370.437 4.117 0 40 FIAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(F)cc3)sc2c1 14257669 XQFBTMFSSIKCDZ-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB CC(C)N(C(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)N(C(C)C)C(C)C)C(C)C 17047557 ISWPQRMZLUULCV-KHSMEXAKSA-N 364.574 4.330 0 40 FIAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 19358623 RLDFWCMFPTXJHS-BMRADRMJSA-N 369.896 4.000 0 40 FIAB COc1cccc2cc(C(=O)NCCSCc3ccccc3C)oc12 19887861 RURICRSZMJJCGN-UHFFFAOYSA-N 355.459 4.413 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1Cl 20105639 SYCHUKGKTAZBHH-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB COc1ccc(SCC(=O)NCCSCc2ccc(C)cc2)cc1 20454350 MICBXKDXMFAGIO-UHFFFAOYSA-N 361.532 4.145 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 21818127 KKNIILLTSUNGOY-CABCVRRESA-N 354.450 4.410 0 40 FIAB CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc2c3c(cccc13)CC2)C(C)C 22004439 NUWULJNXUQXLOD-HNNXBMFYSA-N 353.462 4.129 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1cccnc1N1CCCC1 23866461 KGOHXJLYOUZZID-UHFFFAOYSA-N 357.457 4.201 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)c1C 25515477 UWPFTAZSDLODFZ-UHFFFAOYSA-N 364.449 4.197 0 40 FIAB O=C(c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1)N1CCCC1 28192535 ZFFSGTLKCWXDHC-UHFFFAOYSA-N 373.378 4.339 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C)nn3C3CCCC3)o2)n1 28240433 LUXCLPPYVFSJTR-UHFFFAOYSA-N 367.453 4.014 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2C(F)(F)F)c1 29704479 HLHRXLQKLNFQPR-NSHDSACASA-N 353.340 4.214 0 40 FIAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)c1ccc(F)c(F)c1 31797863 JRZOBBTUPDYMQV-JTQLQIEISA-N 351.422 4.179 0 40 FIAB Cc1csc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)n1 32914345 GNNFAOVTYQWINF-UHFFFAOYSA-N 364.268 4.185 0 40 FIAB CN(Cc1cc(F)cc2c1OCOC2)C(=O)/C=C/c1ccccc1Cl 32916001 GUSNKELKTIUWMN-VOTSOKGWSA-N 361.800 4.017 0 40 FIAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(F)cc1F 32924744 QMZMFFXQZQGWQY-UHFFFAOYSA-N 358.319 4.221 0 40 FIAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3c2C1 32945368 RVROJRNAWTXQJQ-CQSZACIVSA-N 362.429 4.088 0 40 FIAB CN(C)C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618491 SPCVTAGAKCCZMI-UHFFFAOYSA-N 367.405 4.459 0 40 FIAB Cc1cccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C 36635848 XAQOKFAMPXRQON-CQSZACIVSA-N 363.244 4.354 0 40 FIAB O=C(CSc1cc(-c2ccccc2)ncn1)NCc1ccccc1Cl 36709708 LRXLXCRWUDDGTK-UHFFFAOYSA-N 369.877 4.206 0 40 FIAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCCc2nc3ccccc3s2)C1 40118855 UOMLMFBWHHTDPJ-IRXDYDNUSA-N 373.566 4.103 0 40 FIAB CCCc1nnc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)s1 40130651 ZHWWBLVOONTJNA-ZDUSSCGKSA-N 368.462 4.278 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 40150735 QIQVDIOCJUUKDP-IEBWSBKVSA-N 365.477 4.116 0 40 FIAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 44851475 HECNEGDRQJUOND-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB COc1cc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)ccc1OC1CCCC1 48282160 GKBWBVIUUCVQAV-QGZVFWFLSA-N 372.292 4.217 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccnc2Cl)cc1 57315865 WVERUOOLEGAIAB-JXMROGBWSA-N 359.882 4.385 0 40 FIAB C[C@H](NC(=O)N1CCC(n2cccc2)CC1)c1ccc(OC(F)F)cc1 58203235 ILUXSPDHSPWCBL-AWEZNQCLSA-N 363.408 4.197 0 40 FIAB COC(=O)c1cc(OC)ccc1NC(=O)c1cc2c(s1)CCCCC2 58407547 PICHSMBBGOHSCB-UHFFFAOYSA-N 359.447 4.065 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3OC)o2)cc1 63889364 AZKZMGBVPZQXBU-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c1 68148134 LSDSUJLIHXBRRB-UHFFFAOYSA-N 371.396 4.311 0 40 FIAB C[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc2ccccc2c1 70729466 KCQVUJFVOROZGB-HNNXBMFYSA-N 369.424 4.204 0 40 FIAB CCC(CC)CN(CC)C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C 71853770 WHWFECUTPFRZSF-GOSISDBHSA-N 368.468 4.004 0 40 FIAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 72277168 DYWQDMZRDQLWLL-FCHUYYIVSA-N 374.488 4.125 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1OCC 72331517 OQEKTYGPRRKPIE-UHFFFAOYSA-N 351.805 4.207 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)c1 72357715 VAOYJMSLVMIQME-QHCPKHFHSA-N 359.473 4.413 0 40 FIAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1nc(-c2ccncc2)cs1 72404008 RVGSQDJYLLBSOB-UHFFFAOYSA-N 368.849 4.452 0 40 FIAB Cc1nc(SCc2nc([C@@H](C)OCC(C)C)no2)c2ccccc2n1 75075274 SKCHENOZNYMTOA-GFCCVEGCSA-N 358.467 4.347 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCC2)nn1 77099879 VIFQSSIPRPFOJV-UHFFFAOYSA-N 370.762 4.001 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2c1cccc2cccnc12 79501435 QRIQZLZKHDYURI-MRXNPFEDSA-N 354.435 4.142 0 40 FIAB COc1ccc(Cn2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)cc1 94992828 QUSRZZJQRNDLAA-UHFFFAOYSA-N 368.487 4.461 0 40 FIAB COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)c(OC)c1 100889467 NMJFWHJSKKZETL-KUHUBIRLSA-N 374.824 4.127 0 40 FIAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc1c32 101078508 AUZBSDPCEMKFHA-LLVKDONJSA-N 374.362 4.354 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(F)c2)C[C@H](c2ccccc2)C1 102595526 WYBVYEXCCWRPDB-MGPUTAFESA-N 360.392 4.482 0 40 FIAB CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 113602871 MDVXPSBYQLKWLQ-UHFFFAOYSA-N 353.875 4.007 0 40 FIAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1OC 222912700 SBDBITBYBNZWGT-LJQANCHMSA-N 355.478 4.467 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223544952 HMVFTDFZTYTORR-GOSISDBHSA-N 363.457 4.419 0 40 FIAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(C)c(C)c1)CCCC2 223654863 CODJXEBTRGFWBI-MRXNPFEDSA-N 373.518 4.230 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=O)COc1cc(C)ccc1C(C)C 223683007 BYTXSRYUQYLQKY-QGZVFWFLSA-N 371.477 4.090 0 40 FIAB CC(C)CSc1nnc(NC(=O)CSCc2ccccc2)s1 224233813 AVRNWNHJNHUWTO-UHFFFAOYSA-N 353.538 4.158 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224666770 QMCAHSXYJSVVBC-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)c3cc4cccc(OC)c4o3)ccc21 225096300 AZNSZTCCAJRTJJ-UHFFFAOYSA-N 368.414 4.090 0 40 FIAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCOCC2)cc1 225583711 RJXIOGLFQQOVBT-UHFFFAOYSA-N 369.461 4.169 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)N[C@H](C)CC 225640483 BQPYENKINLZMSO-PBHICJAKSA-N 352.906 4.162 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccc(F)cc1 225812199 LKBVRRLAGZAFDG-GFCCVEGCSA-N 373.815 4.339 0 40 FIAB O[C@@H](COCC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 252506167 RDXQFUZNRUQJIT-CJRSTVEYSA-N 371.565 4.145 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC(C)C)c4)OCC[C@@]31C2 257217592 CZQGGYJGHBJHOI-JJYSZZJESA-N 371.521 4.492 0 40 FIAB Cc1nc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(N2CCC(C)CC2)n1 257289272 PXWOPAGGIJIATK-KRWDZBQOSA-N 374.529 4.136 0 40 FIAB CC(C)CC(=O)N[C@@H]1C[C@H](c2cc(F)c(F)cc2F)O[C@@H]2CCC[C@@H]12 257298559 RMGDYCJDFQAQLC-YTYAUXFGSA-N 355.400 4.265 0 40 FIAB Cc1noc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257313002 UQOZNOWNIFJNNS-IBGZPJMESA-N 363.417 4.080 0 40 FIAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 408652594 DNYPJWSAJCDWLU-KRWDZBQOSA-N 351.446 4.385 0 40 FIAB COc1ccc(OCCCC(=O)NCCSCc2ccccc2C)cc1 408706471 YCOKAXUHHPMERZ-UHFFFAOYSA-N 373.518 4.212 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCCCc1ccccc1 408709833 XRLYKONLGMRRPS-UHFFFAOYSA-N 352.478 4.062 0 40 FIAB CC[C@H](NC(=O)c1ncnc2sccc12)c1nc(C(F)(F)F)cs1 611741962 QAZMZDBGUOOPLT-QMMMGPOBSA-N 372.397 4.048 0 40 FIAB Cc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)cc1 924113 QPJHWTOCZTWCQT-UHFFFAOYSA-N 361.401 4.269 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCc2cn3c(C)cc(C)nc3n2)n1 950150 VHPVTYNGRAWWOO-UHFFFAOYSA-N 361.474 4.404 0 40 FIAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(N(C)C)cc1 956548 JSOKALPUJCKLQZ-UHFFFAOYSA-N 353.397 4.360 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C)c4)nc3c2)cc1 989989 RQKAIOCTMPHIDA-UHFFFAOYSA-N 372.428 4.380 0 40 FIAB CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cccc(C)c2[nH]c1=O 1346771 OBIOUAZTAIZINN-UHFFFAOYSA-N 354.837 4.039 0 40 FIAB CCCOc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1 2082497 SAIQXMVKQHCTAL-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB Cc1cc(OC(=O)/C=C/c2ccc(C)o2)n(Cc2ccccc2Cl)n1 3348998 BUULDNLWZXGXBH-MDZDMXLPSA-N 356.809 4.413 0 40 FIAB CCc1cccc(C)c1NC(=O)COc1ncnc2sc(C)c(C)c12 3393745 OVMZBYJMNLZENY-UHFFFAOYSA-N 355.463 4.196 0 40 FIAB CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc(F)cc1 3403494 PCWCMZBBUMQCPS-UHFFFAOYSA-N 362.448 4.487 0 40 FIAB C[C@H]1CCc2sc(C(=O)OCc3nnc(-c4cccs4)o3)cc2C1 3548203 NYOMFXHYWZVGJZ-JTQLQIEISA-N 360.460 4.341 0 40 FIAB CCCCC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 4855956 WHIPBHJGDJPYIC-UHFFFAOYSA-N 355.457 4.281 0 40 FIAB Cc1ccc(-c2ocnc2C(=O)Nc2nnc(-c3ccco3)s2)cc1 5001997 OVHAUVBWGRPASN-UHFFFAOYSA-N 352.375 4.014 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 6049477 DFVOTBNFIWTOAG-APWZRJJASA-N 367.445 4.331 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(Cl)ccc2Cl)[C@@H]1C 6522946 CNZWJJMHMBLILM-UEKVPHQBSA-N 358.265 4.091 0 40 FIAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc[nH]1 6816530 KJSIHBSNUYQZDT-UHFFFAOYSA-N 366.471 4.299 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(COC(=O)CC3CCCC3)cs2)cc1 7108328 CFUXVRYGIFMDKQ-UHFFFAOYSA-N 372.490 4.256 0 40 FIAB NC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCC2 7158631 KDWFLAYXBYNTIX-UHFFFAOYSA-N 370.261 4.287 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3)n2)cc1 7641022 WKLOORVEMRORED-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)COc2ccc(Cl)c(C)c2)cc1 7696866 AKFMIXQBIUKBOF-UHFFFAOYSA-N 369.852 4.219 0 40 FIAB COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3)n2C)cc1 8375627 DREOWMVWOFQSQK-UHFFFAOYSA-N 359.882 4.360 0 40 FIAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 8434158 KIUKGXGVAMHICG-WOJBJXKFSA-N 374.440 4.011 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccsc2)N1c1ccc2c(c1)OCO2 9368426 RWUZEYYPAUAYIQ-SFHVURJKSA-N 350.399 4.248 0 40 FIAB CCOc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 9816609 XOKYVAITMIQSIK-UHFFFAOYSA-N 364.239 4.174 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)c1occc1CSc1ccccc1 9954926 HUAHHJUOAAVIOS-UHFFFAOYSA-N 367.426 4.231 0 40 FIAB CCOc1cccc2cc(C(=O)Nc3ccc(Cl)c(C)c3)c(=O)oc12 10384420 VOYJCWLFOZLYOG-UHFFFAOYSA-N 357.793 4.406 0 40 FIAB Cc1cccc(N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c1 10504770 SFJPYPGIYMNTRP-UHFFFAOYSA-N 355.441 4.438 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 10684257 RLWQWQXWVYCAMW-OAHLLOKOSA-N 354.450 4.256 0 40 FIAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)c(C)c3)S2)cc1 11293566 MLYUXCKLSLYWHU-GZTJUZNOSA-N 354.431 4.095 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)c(Cl)c1 11417556 GZPIKFICHXUJRR-UHFFFAOYSA-N 370.836 4.068 0 40 FIAB Cc1cc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2sccc2C)on1 12155280 GQADIIQRHRLMBA-ZDUSSCGKSA-N 356.451 4.068 0 40 FIAB CC(C)n1ncc2cc(C(=O)Nc3ccccc3N3CCCCC3)cnc21 12552884 NTZVZDFJZPRHMN-UHFFFAOYSA-N 363.465 4.255 0 40 FIAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1C 12553607 BGJMHSYDHDAYAN-UHFFFAOYSA-N 372.468 4.055 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)NCCCOC(C)C)cc1C 12742528 YSWAPESVUWOGMV-UHFFFAOYSA-N 358.507 4.395 0 40 FIAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1 12985095 TVQKUKDOQMWSMF-QGZVFWFLSA-N 365.882 4.265 0 40 FIAB COc1cccc2sc(NC(=O)c3cccnc3SC(F)F)nc12 14016392 OUGJPDFHJHKQQF-UHFFFAOYSA-N 367.402 4.267 0 40 FIAB Nc1nc(CSc2ccc(F)cc2)nc(Nc2ccc(Cl)cc2)n1 14170051 SURMLTVVNIQZPF-UHFFFAOYSA-N 361.833 4.282 0 40 FIAB O=C(Cc1csc(-c2ccccn2)n1)Nc1nc2ccc(F)cc2s1 14184380 RZWVBTJQPOMJHI-UHFFFAOYSA-N 370.434 4.135 0 40 FIAB Cc1ccc(CN(C)Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)cc1 14186827 XTIYCYVBMYVLKJ-ZHACJKMWSA-N 354.479 4.410 0 40 FIAB COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(Cl)cc1C 14257073 HEKCYEBXJCJDEK-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1cccc(F)c1 15414660 NHQKGSUCZKHKPL-UHFFFAOYSA-N 350.187 4.190 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C)cc2C)c(OC)c1 15829882 KKDKHOZOZQNFIQ-IBGZPJMESA-N 369.461 4.063 0 40 FIAB Cc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)cc(C)c4n3)n2)cc1 20633966 BXKTZBLKIAHREQ-UHFFFAOYSA-N 371.444 4.357 0 40 FIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCc2ccccc2C1 22245444 WSPWFSPHSLLGCU-UHFFFAOYSA-N 363.486 4.418 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(OC)cc1 22526756 QUVBNSUCUOKRTM-NRFANRHFSA-N 355.478 4.218 0 40 FIAB FC(F)(F)c1ccccc1CSCc1nnnn1-c1ccccc1 25065781 PUTQSQOSVYESLC-UHFFFAOYSA-N 350.369 4.115 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2cccc(OC)c2)c1C 27661532 ADYSYGFEPJMLNZ-CYBMUJFWSA-N 361.463 4.180 0 40 FIAB COc1ccc(NC(=O)c2coc3cc(C)c(Cl)cc3c2=O)c(OC)c1 27748911 ZZKWPDZYDPPDQH-UHFFFAOYSA-N 373.792 4.024 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(-c3cccc(F)c3)n2)cc1F 30446989 QINLACLCYQTTCP-UHFFFAOYSA-N 358.413 4.434 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Sc2ncc(-c3ccc(Cl)cc3)o2)no1 32872094 HBYNUKZROAQCNR-JTQLQIEISA-N 363.826 4.411 0 40 FIAB CSc1ncc(C(=O)N[C@H](C)c2cccs2)n1-c1ccc(F)cc1 32986462 FAZGYFMPBRJZHM-LLVKDONJSA-N 361.467 4.286 0 40 FIAB Cc1ccccc1-n1ncc2c(NCCc3c[nH]c4ccccc34)ncnc21 34815305 NIJZTMRPASSXAI-UHFFFAOYSA-N 368.444 4.260 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@@H](c2cccc(O)c2)C1 36354861 PSAJPVBAJUAZOQ-CYBMUJFWSA-N 357.772 4.494 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 36635864 LHWQQGLSFZCNIX-GFCCVEGCSA-N 369.635 4.391 0 40 FIAB COc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccs2)n[nH]1 38488703 MEZIRXGBAUNBHR-UHFFFAOYSA-N 367.352 4.418 0 40 FIAB O=C(c1cccc(I)c1)c1cncc2ccccc12 45028888 YWWJMPXGQKCURU-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB Cc1ccc(NC(=O)CCc2cccs2)c(-c2nc(C3CC3)n[nH]2)c1 48234719 WNCHUBYDMBLOPC-UHFFFAOYSA-N 352.463 4.290 0 40 FIAB CCN(C(=O)CN1CCC[C@@H]1c1cc(C)no1)c1cccc2ccccc12 48308652 JIXRABPGPWTWQA-HXUWFJFHSA-N 363.461 4.326 0 40 FIAB CC(C)OCc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1 48353847 VBLFQKLAELGTBX-UHFFFAOYSA-N 350.462 4.342 0 40 FIAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2)cc(-c2ccncc2)n1 49007181 OLUNYPPWPQVXBT-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB Cc1ccc(NC(=O)CSc2cc(-c3nc(C4CC4)no3)ccn2)cc1 49405423 VPFDWKAVQQXQME-UHFFFAOYSA-N 366.446 4.048 0 40 FIAB CC(C)C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 49581173 ABTDFUTXOQNWBE-OAQYLSRUSA-N 361.489 4.498 0 40 FIAB C[C@H](NC(=O)COc1nncc2ccccc12)c1ccc2ccccc2c1 49873956 PUGATEBVEUCUOO-HNNXBMFYSA-N 357.413 4.039 0 40 FIAB CCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2C1 57165213 GFNNWHLAIVDMQB-UHFFFAOYSA-N 365.429 4.339 0 40 FIAB biogenic Cc1c(C(F)(F)F)n[nH]c1NC(=O)CSc1nc2ccccc2s1 58050547 MGOGYFJNBIWHOF-UHFFFAOYSA-N 372.397 4.077 0 40 FIAB COc1ccc(CC(=O)N(C)c2ccc(Br)cc2C)cc1F 58140074 DNXPKZKMSRAWEB-UHFFFAOYSA-N 366.230 4.111 0 40 FIAB CSc1nc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2ccccn12 60580597 JDNHHLUDFUBFTM-UHFFFAOYSA-N 367.261 4.198 0 40 FIAB Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c(C)n1C1CC1 64510424 UAUJSDSHHPLZEA-HOTGVXAUSA-N 367.493 4.306 0 40 FIAB CCCCn1c(SCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 67259696 RNQLFFYJUXLCTF-UHFFFAOYSA-N 368.458 4.218 0 40 FIAB Fc1ccc([C@H]2CN(Cc3ncc(-c4cccs4)o3)CCO2)cc1F 67379710 CRDSOPGMRKJFME-MRXNPFEDSA-N 362.401 4.255 0 40 FIAB C[C@H]1C[C@@H](Sc2ncnc3scc(-c4ccc(F)cc4)c23)C(=O)O1 69982637 NZNQROHQKFLTCZ-TVQRCGJNSA-N 360.435 4.294 0 40 FIAB O=C1N=C(Nc2ccc(F)cc2)/C(=C/c2ccc3nccnc3c2)S1 71286708 QUUUOGQOBQYLIM-YBEGLDIGSA-N 350.378 4.487 0 40 FIAB Cc1ccc2[nH]c3c(SCC(=O)N(C)c4ccccc4)ncnc3c2c1 72331961 PLVCDJTUAOXYRE-UHFFFAOYSA-N 362.458 4.175 0 40 FIAB Cc1cn(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c2ccccc12 84257612 QLNKWPMYZUGTJV-UNMCSNQZSA-N 366.436 4.125 0 40 FIAB O=C(NN(c1ccccc1)c1ccccc1)C1=NO[C@@H](c2ccccc2)C1 84525328 UZIYNLCNEDTXOZ-OAQYLSRUSA-N 357.413 4.374 0 40 FIAB C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)cc1 95967700 QQPPVMUGNIJHLJ-HZPDHXFCSA-N 359.464 4.128 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@]2(CC[C@@H](C)C2)C1 96006572 QGIYLVMWGWLFAE-AUUYWEPGSA-N 350.890 4.189 0 40 FIAB O=C(c1ccsc1)N1CCC2(CCN(Cc3ccc(F)cc3)CC2)CC1 96047273 AGLQAHUNSNVUJT-UHFFFAOYSA-N 372.509 4.406 0 40 FIAB Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccs5)no4)c3CO2)cc1 97077704 UBSCLCMVCJGYKR-CQSZACIVSA-N 368.393 4.072 0 40 FIAB COc1ccc(CN(Cc2ccc(OC)cc2)[C@H]2CC[C@H](O)CC2)cc1 100173891 DJGFPMDLJPTTTL-BGYRXZFFSA-N 355.478 4.010 0 40 FIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 100725053 LKEHHQUMGGWURZ-HJEMKOJISA-N 371.436 4.345 0 40 FIAB O=C1C[C@@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1Cl 102272528 LNSXDUVDFRFGJY-CYBMUJFWSA-N 368.742 4.103 0 40 FIAB COC(=O)c1cn(C(=O)CCCOc2ccc(C)cc2)c2ccccc12 222605629 BRKGTLKDBKZYIV-UHFFFAOYSA-N 351.402 4.236 0 40 FIAB COc1ccc(CCCNC(=O)COc2ccccc2C(C)(C)C)cc1 222796961 YBGMDNCPCMYBMX-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB Cc1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2)c(C)c1 222824089 FNTHVBRRRGAMEV-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223175208 XPRQLJGVMBQKRC-UXHICEINSA-N 371.477 4.437 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc1C 223626746 WPSOQLHCRDGPMY-GOSISDBHSA-N 363.457 4.419 0 40 FIAB COCc1cccc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 224214856 PCVZPYPZOVKQLJ-UHFFFAOYSA-N 360.262 4.082 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1F 224889519 XOWOWOATHWAHGR-ZWKOTPCHSA-N 352.438 4.034 0 40 FIAB COc1cccnc1NC(=S)N[C@H](c1ccccc1)c1ccccc1C 225508070 HNGSGVNXFRZLQE-LJQANCHMSA-N 363.486 4.475 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(F)cc1 225686149 MHPGSNIWGXSHGO-MRXNPFEDSA-N 360.454 4.423 0 40 FIAB CCCOc1ncc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225874434 AXNOPXFXDGZWDZ-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB c1ccc([C@@H]2CN(c3ncnc4c3oc3ccccc34)[C@@H]3CCOC[C@@H]23)cc1 329183774 FTDADYWXQZTLHC-GBESFXJTSA-N 371.440 4.385 0 40 FIAB O=C(Nc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408697408 HCDDNKNBHYRMJC-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)c1 409373481 WQIPBVHELFZJAT-BLKABHOGSA-N 371.436 4.090 0 40 FIAB Cc1ccc(C)c(N(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 409384008 VDTCPQQVSMCYNY-UHFFFAOYSA-N 368.296 4.032 0 40 FIAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1cc(O)c2ccccc2c1 526919058 OGRCHLYYZKORJJ-GOSISDBHSA-N 359.347 4.449 0 40 FIAB Cc1ccc(-c2ncc(CNc3ccc(C(N)=O)cc3C)s2)cc1C 1203897064 IZXJGDDVXDDYEZ-UHFFFAOYSA-N 351.475 4.446 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCC(=O)c2ccc3c(c2)OCO3)n1 7624445 YXNAUBZRXSVHDW-UHFFFAOYSA-N 364.426 4.156 0 40 FIAB COc1ccc([C@@H]2C=C(C)Oc3c2c(=O)oc2ccccc32)cc1OC 2033770 JSCAHMURLASJNA-HNNXBMFYSA-N 350.370 4.238 0 40 FIAB CC(=O)Nc1nc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cs1 31783214 TXAPIARYIBFAPF-UHFFFAOYSA-N 352.419 4.097 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)NCCC(C)C)s2)cc1C 3576020 NZGUOHIDUHEOLG-UHFFFAOYSA-N 364.540 4.153 0 40 FIAB COC(=O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 6914323 UXGFXIMOGXCTDU-UHFFFAOYSA-N 368.614 4.141 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2CC(=O)c2ccc(OC)cc2)o1 7452266 HOJAPIKPFPRRFL-UHFFFAOYSA-N 361.401 4.145 0 40 FIAB CCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1 7702300 VPTIHQJNXLATOM-LJQANCHMSA-N 357.500 4.378 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 7928985 VYXOGUARQHALMW-CVEARBPZSA-N 367.445 4.167 0 40 FIAB Cc1cccnc1-n1c(SCCc2ccccc2)nc2ccccc2c1=O 32945255 RXQAZVFHLBQGFI-UHFFFAOYSA-N 373.481 4.424 0 40 FIAB O=C1CN(C(=O)c2sc3cc(F)ccc3c2Cl)c2ccccc2N1 22064202 UVXMUNZEKMMXRV-UHFFFAOYSA-N 360.797 4.293 0 40 FIAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2ccncc2)CC1 100738800 FLNLIIQDRLHARF-MAEOIBBWSA-N 352.482 4.037 0 40 FIAB COC(=O)Nc1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1 53595378 JJNCYDFTKDMRCU-UHFFFAOYSA-N 359.234 4.163 0 40 FIAB O=C(COc1ccc(Br)cc1)Nc1ccc(OC(F)F)cc1 706968 MEVXCAVOXDLUDB-UHFFFAOYSA-N 372.165 4.068 0 40 FIAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCc2ccccc2C1 12390705 HYNDCLSTPSUPBY-UHFFFAOYSA-N 352.434 4.077 0 40 FIAB Cc1noc(C)c1CN(C(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1 22135176 GCXAIKDNOWIZOP-MRXNPFEDSA-N 368.408 4.431 0 40 FIAB Cc1cc(C(=O)N(Cc2ccccc2)C2CC2)c2nc3n(c2n1)CCCCC3 24749393 OYQCXQUKXFILPE-UHFFFAOYSA-N 374.488 4.271 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1Cl 103718121 WPGGMFQUIOYFJJ-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCN(CC)Cc1ccccc1CNCc1c[nH]nc1-c1cccs1 12547210 BIKCIRWFLDUTOU-UHFFFAOYSA-N 354.523 4.270 0 40 FIAB O[C@H](CN1CCC[C@@H]1c1nc2ccccc2s1)c1c(F)cccc1F 107335521 YACPLHCFHAIVCY-HZPDHXFCSA-N 360.429 4.445 0 40 FIAB Cc1noc(C2CCN(C(=O)c3oc4c(C)ccc(C)c4c3C)CC2)n1 56416767 JUPAVGXFNNEMQT-UHFFFAOYSA-N 353.422 4.069 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12547575 UFRACGFNRCJALJ-UGSOOPFHSA-N 369.852 4.347 0 40 FIAB Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc(CS(C)(=O)=O)cc1 7801781 XRKFBEYSIDMBQL-UHFFFAOYSA-N 360.475 4.056 0 40 FIAB Cc1cccc(OCCC(=O)Nc2c(F)cc(F)cc2Br)c1 10213804 UKGQROXFAYMGHY-UHFFFAOYSA-N 370.193 4.443 0 40 FIAB O=C(COC(=O)c1c(Cl)cccc1Cl)NCCC1=CCCCC1 3285549 YIZNQXGSEKLLSN-UHFFFAOYSA-N 356.249 4.157 0 40 FIAB COc1ccc(-n2ncc3c(NCc4cccc(Cl)c4)ncnc32)cc1 2363981 CSQXMEHCRLCSKW-UHFFFAOYSA-N 365.824 4.090 0 40 FIAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1ccsc1 7927045 UNQOIPFTWCUWQW-NSHDSACASA-N 358.385 4.106 0 40 FIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)Nc1cnn(C(C)(C)C)c1 62392164 HBURIUOKKPHQNR-UHFFFAOYSA-N 357.458 4.185 0 40 FIAB Cc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cn1 12974324 PGQQFRSXXRQFMN-UHFFFAOYSA-N 353.325 4.151 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)n2)cc1 13113415 NBVRMBSHQVRMAU-RBSFLKMASA-N 358.511 4.050 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 8122555 JNONEWZULUQDJZ-ZDUSSCGKSA-N 358.360 4.043 0 40 FIAB CCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 4123917 YURMNDKCWVZRCI-KRWDZBQOSA-N 365.462 4.329 0 40 FIAB CC[C@H](C)COC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 5047378 LJXNPEMLKHDBSR-ZDUSSCGKSA-N 354.454 4.026 0 40 FIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1 8324325 OKZFDYFAGNPTJE-LJQANCHMSA-N 351.837 4.407 0 40 FIAB c1csc(Cc2nnc(SCc3cn4ccccc4n3)n2C2CC2)c1 5165965 KLCMUHJRSBTELY-UHFFFAOYSA-N 367.503 4.205 0 40 FIAB CCCC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C(C)C)cc1 22259246 KYGMLMJWGAZYFF-UHFFFAOYSA-N 360.479 4.349 0 40 FIAB Cc1ccc(-c2noc(COC(=O)c3ccc4ncsc4c3)n2)cc1F 14198359 UDUUPJTVEVGXKM-UHFFFAOYSA-N 369.377 4.151 0 40 FIAB CC(C)CN(C(=O)c1cn2ccccc2n1)c1nc2ccccc2s1 6650500 NUXJYQKLNVVEMP-UHFFFAOYSA-N 350.447 4.247 0 40 FIAB S=C(Nc1ccc(N2CCOCC2)cc1)Nc1cccc2ccccc12 6784642 IPUGSUSUYIOBDR-UHFFFAOYSA-N 363.486 4.485 0 40 FIAB COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cccnc2)cc1OC 15107571 HQSWOYJFRJUTHH-AWEZNQCLSA-N 366.442 4.301 0 40 FIAB Cc1cc(C)c(C(=O)CN2CCN(c3ccccc3Cl)CC2)c(C)c1 67206373 LJFVWVYEXMRCNG-UHFFFAOYSA-N 356.897 4.270 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1Cc1ccco1 7043641 MYJBZYZHQYVSGN-NRFANRHFSA-N 370.412 4.232 0 40 FIAB CCc1cc2c(S[C@@H](C)C(=O)N3CCc4ccccc43)ncnc2s1 8641185 NSUFSYVMXRZPHA-LBPRGKRZSA-N 369.515 4.324 0 40 FIAB O=C(NC1CCOCC1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 80401314 WHMJIROHFXUCFX-UHFFFAOYSA-N 366.392 4.057 0 40 FIAB CCC(C)(C)c1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 9095465 GCIIVSGEAVWCLX-UHFFFAOYSA-N 356.451 4.441 0 40 FIAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc2ccccc2s1 9368586 MRBFOEGVHFTNNY-UHFFFAOYSA-N 366.486 4.010 0 40 FIAB CC(C)c1n[nH]c(SCC(=O)Nc2ccccc2Cc2ccccc2)n1 9514153 PIDFENORAXGAAE-UHFFFAOYSA-N 366.490 4.250 0 40 FIAB COc1ccccc1-c1nn(-c2ccccc2)cc1CNCc1ccco1 9586541 ONBPWZJQGGLKOT-UHFFFAOYSA-N 359.429 4.431 0 40 FIAB CC1=C(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)CCCO1 89919752 SQZSJQDMJRKHHW-UHFFFAOYSA-N 360.429 4.367 0 40 FIAB CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 97112085 UWSWSPFTXYZBJW-GHTZIAJQSA-N 364.420 4.366 0 40 FIAB CC[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccncc1 95961924 ZCNYZOFCIZIBQF-MRXNPFEDSA-N 353.447 4.175 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCC1 30556656 NBOOKVMEVNKSLR-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 409333153 CMQFBFBCDFWWHN-LZRWVWJESA-N 363.413 4.410 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)s1 39989146 PCGYDICUBOQIRT-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB CCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C 225864781 LWSPXGIDQRAKPV-UHFFFAOYSA-N 354.450 4.248 0 40 FIAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCCC1 225708143 XPXMYUAMVNDYAL-ZDUSSCGKSA-N 355.862 4.042 0 40 FIAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 328844549 WXUOTEXGSDYLCK-PMACEKPBSA-N 372.472 4.255 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)s1 224114770 QHECLOVSVMMUQQ-AWEZNQCLSA-N 365.524 4.453 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1ccc2c(c1)CCCC2 223076167 ZEBKYDBFRZMELD-OAQYLSRUSA-N 357.519 4.445 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225732790 IOBIYSFMOJPSAP-UGSOOPFHSA-N 357.878 4.288 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(Br)cc2)cc1Cl 224116257 ZTGGZLPRZFQVGF-UHFFFAOYSA-N 368.658 4.220 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCCC[C@H]1CC 44848421 MOBUYNKVVRHSQH-WOJBJXKFSA-N 360.542 4.232 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(O[C@@H]2CCSC2)c1 225720241 SBCMMJLTFCXPEG-CQSZACIVSA-N 368.380 4.237 0 40 FIAB CC(C)Cn1ccc2cc(NC(=O)C[C@H]3NC(=O)c4ccccc43)ccc21 95475685 FWIFWVXXXCPJRG-LJQANCHMSA-N 361.445 4.111 0 40 FIAB O=C(Nc1ncc(C2CCNCC2)s1)c1cc(Cl)ccc1Cl 262367839 WHNUYSVYJKAUKY-UHFFFAOYSA-N 356.278 4.169 0 40 FIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812475 CCENMCPYDUNJRR-UTKZUKDTSA-N 362.514 4.084 0 40 FIAB C[C@H](c1ccccc1Cl)N(C(=O)c1ccc([S@@](C)=O)cc1)C1CC1 57250990 YGPPSLGNPNFWMT-OZAJXLCCSA-N 361.894 4.443 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2CC)cc1Cl 5235122 CFIMLJSQVKPZLH-LLVKDONJSA-N 366.310 4.345 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)c(OC)c1 12782470 SIAJPZFTYQMRGQ-BLRBJFNZSA-N 355.409 4.220 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684870 VMJVNVRYYFFUIS-MRXNPFEDSA-N 370.518 4.477 0 40 FIAB Cc1cccc(C(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)c1 19234439 JABFPARIGNRBGP-CYBMUJFWSA-N 361.367 4.182 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(CN(CC)CC)cc1 19934075 FOQQIYATQFNODC-KRWDZBQOSA-N 354.494 4.497 0 40 FIAB COc1ccccc1NCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 5353023 SSWIVPVNYPRKMN-MHWRWJLKSA-N 374.849 4.455 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3CCC[C@H](C)C3)c(C)cc2N)c1 226331534 UCLDQKAGRBLLCN-AWEZNQCLSA-N 353.466 4.074 0 40 FIAB O=C(COCc1nc2ccccc2s1)NCC12CC3CC(CC(C3)C1)C2 12765238 RZGQJPCRTSMFLD-UHFFFAOYSA-N 370.518 4.146 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCO2 32787438 IPYTXAZYGXDDKZ-JTQLQIEISA-N 352.217 4.334 0 40 FIAB Cn1nc(-c2cccs2)cc1CNC(=O)/C=C/c1ccccc1Cl 1775966481 GTZYHXUNMYVXFN-CMDGGOBGSA-N 357.866 4.132 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCc1cncc(-c2ccoc2)c1 575620246 LGHXSHCCRSZLEE-UHFFFAOYSA-N 357.797 4.325 0 40 FIAB O=C(CSc1ccc(F)c(F)c1)NCCOc1ccc2ccccc2c1 30446883 DUDDIZGXZTWMIC-UHFFFAOYSA-N 373.424 4.405 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1F 664852 MMJQNLLOTGJRKI-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB CCCc1nc(SCC(=O)NC2CCCC2)c2c(C)c(C)sc2n1 1372190 JRYRWTSRXHPRTN-UHFFFAOYSA-N 363.552 4.412 0 40 FIAB CC(C)OC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1 1938910 VWRVUUOJMYLQMK-CYBMUJFWSA-N 361.825 4.311 0 40 FIAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)/C=C/c3cccs3)cc12 3177420 RKYWNDMNDWRSTP-CSKARUKUSA-N 369.442 4.344 0 40 FIAB Cc1cc(C)nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1 3200353 JYTBXOBSFXLDTD-UHFFFAOYSA-N 363.486 4.091 0 40 FIAB CN(C(=O)CSc1nnc(NC2CCCCC2)s1)c1ccccc1 3307922 ZCJCONOKCRQCMH-UHFFFAOYSA-N 362.524 4.038 0 40 FIAB c1cncc(-c2nc(NC[C@@H]3CCCO3)c3c4c(sc3n2)CCCC4)c1 3381464 KWMQMRQHUPHASR-AWEZNQCLSA-N 366.490 4.223 0 40 FIAB O=C(Cc1ccccc1)Nc1nnc(SCc2cccc(F)c2)s1 4078282 SKNAKLWJRQARJJ-UHFFFAOYSA-N 359.451 4.151 0 40 FIAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc2ccccc2oc1=O 4459218 QKYFOOOEEWLTMP-UHFFFAOYSA-N 356.381 4.031 0 40 FIAB CCOCCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCCC2 4980635 IVCIEOLMAQJKRP-UHFFFAOYSA-N 368.456 4.253 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5269010 HJBFOTAQMOKYCH-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB CCCOc1cc2c(cc1[C@@H](C)c1cc(OC)c(OC)c(OC)c1)OCO2 5785277 NAHLVBJKAWKBRU-ZDUSSCGKSA-N 374.433 4.382 0 40 FIAB COc1ccc(OC)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1 6009191 WIMCDTDJWYGGRZ-WQRHYEAKSA-N 369.442 4.249 0 40 FIAB CCc1ccc2c(CSc3nnc(-c4cccnc4)o3)cc(=O)oc2c1 6100251 YBLPUIZEKKDYJU-UHFFFAOYSA-N 365.414 4.093 0 40 FIAB O=C(Cc1ccsc1)Nc1nnc(SCc2ccc(F)cc2)s1 6219361 QVCCTEJXWSJPJV-UHFFFAOYSA-N 365.480 4.212 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1 6265021 VEHANNKPNRDHKS-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 6649438 VEPJDTYFBZXKJR-MRXNPFEDSA-N 370.518 4.477 0 40 FIAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 7029256 PDFUTDOIBMDVSF-GFCCVEGCSA-N 351.324 4.314 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3ccccc3F)cs2)cc1OC 7947104 NSBQSFOWTIFVOS-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB COc1cccc(CSc2nc3ccccc3c(=O)n2CC(C)C)c1 8230182 NRTCTAAAQVCKEE-UHFFFAOYSA-N 354.475 4.353 0 40 FIAB Cc1[nH]c(C(=O)N2c3ccccc3CC[C@H]2C)c(C)c1C(=O)OC(C)C 8366906 OTMCOXBDPDOQKO-CYBMUJFWSA-N 354.450 4.178 0 40 FIAB CC1CCN(C(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 8470216 DXKCOOSMDFSBGY-UHFFFAOYSA-N 356.853 4.464 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3C)c(=S)o2)cc1 8550639 JCYWFATXURWRLO-UHFFFAOYSA-N 353.447 4.437 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1F 8945872 HKJXOUFVWRZSHG-UHFFFAOYSA-N 366.186 4.002 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3)cc2c1 9428753 XCLCPVQHOIVFCY-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2c1C 9552037 YQJHMKJUYCOESB-WBHUJUFNSA-N 356.466 4.025 0 40 FIAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2cccs2)CC1 12132035 KAILMAZJIHUJJB-UHFFFAOYSA-N 356.472 4.093 0 40 FIAB COC[C@H](C)Oc1ccc(NCc2cc(-c3ccccc3)c[nH]c2=O)cc1 12220781 VGXMJQQCSXVVIF-INIZCTEOSA-N 364.445 4.068 0 40 FIAB COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2nc(C)cs2)s1 12408994 QBMZYFWVQQFVMI-UHFFFAOYSA-N 363.439 4.283 0 40 FIAB CCCCn1c([C@@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12411034 GHJAFUVXRLKIIS-MRXNPFEDSA-N 363.461 4.366 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)c3cccnc3)cc12 12558191 IYZAIRBLROTFJV-ZDUSSCGKSA-N 362.458 4.281 0 40 FIAB Cc1cc(N[C@H](c2ccccc2)c2cc3ccccc3o2)n2ncnc2n1 12808143 CCHQFIRNJDAERI-HXUWFJFHSA-N 355.401 4.380 0 40 FIAB Cc1cccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 13612126 WAQUBDNHRJFGTO-UHFFFAOYSA-N 372.317 4.354 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C 13669249 AJICUNCUEPYAOI-HNNXBMFYSA-N 361.507 4.341 0 40 FIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)Nc3nccs3)cc2s1 13735800 JMIHROLFHXCLHN-UHFFFAOYSA-N 354.460 4.413 0 40 FIAB O[C@@H](CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 14137622 XJPNGAYWVUJTDH-LBPRGKRZSA-N 373.787 4.227 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)Cc3ccco3)cc12 15617862 KJRSROZZCKAYFP-UHFFFAOYSA-N 351.431 4.261 0 40 FIAB Cc1ccc(Cn2cc(C(=O)Nc3ccccc3Cl)ccc2=O)cc1 15883123 PVDCUTRZBYQJQA-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1csc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)c1 19124536 UKQZQHQWQYORTA-LBPRGKRZSA-N 359.476 4.188 0 40 FIAB CCN(Cc1cncn1C)c1cccc(OCCOc2ccc(F)cc2)c1 19526662 WYGLAJXCECPUDU-UHFFFAOYSA-N 369.440 4.044 0 40 FIAB COc1ccc(CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)cc1 19555236 BBFMMBRGJVVKGN-MRXNPFEDSA-N 372.852 4.094 0 40 FIAB Cc1cc(NC(=O)c2cc(C3CC3)on2)nn1Cc1ccc(Cl)cc1 20353713 YGMYHSRPPQVQCR-UHFFFAOYSA-N 356.813 4.011 0 40 FIAB COc1ccc(-c2cc(-c3ccco3)nc3nc(-c4ccncc4)nn23)cc1 20800331 BEMOORCXOZNDOC-UHFFFAOYSA-N 369.384 4.122 0 40 FIAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)o1 20883869 LZVIKKOFMORFDW-LXSSAFMLSA-N 368.216 4.478 0 40 FIAB Cc1c(Cl)cccc1-n1ccnc1S[C@H](C)C(=O)NC(C)(C)C 21621909 BENVVRKZRSJNBH-GFCCVEGCSA-N 351.903 4.229 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)no2)cc1 21800526 GVJKNKSTNZJPHB-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB Cc1cccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)no2)c1 21806543 ZJEBLOFNEIXWAL-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(SC)cc3)[nH]c2c1 21829549 HLBCIGYLLRCRMS-LLVKDONJSA-N 373.503 4.413 0 40 FIAB CCN(Cc1ccc(Cl)s1)Cn1nnc(-c2ccccc2Cl)n1 22227451 WZVAGTMBWDGHMS-UHFFFAOYSA-N 368.293 4.188 0 40 FIAB O[C@@H](c1ccccc1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 22760523 KKLWEKBHSZZHQE-FQEVSTJZSA-N 359.429 4.326 0 40 FIAB COCCCNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 27985968 QIFITSPBWFAZCB-UHFFFAOYSA-N 360.417 4.400 0 40 FIAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 32727389 RZHRFZMJMNJJFA-CQSZACIVSA-N 373.399 4.121 0 40 FIAB O=C1NCCCC[C@@H]1Sc1ncnc2sc(-c3ccccc3)cc12 32871687 FJEZQBLIQKSLAC-AWEZNQCLSA-N 355.488 4.119 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1-n1cccn1 36395892 FWMLPJPLZJGPKI-UHFFFAOYSA-N 359.351 4.163 0 40 FIAB COc1ccc2nc(N(Cc3cccnc3)C(=O)C3CCC3)sc2c1 36676257 HKTLSHZYXOFJDS-UHFFFAOYSA-N 353.447 4.033 0 40 FIAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@@H]1c1ccsc1 40107774 PBTRRCLRPDRBNR-RTBURBONSA-N 357.475 4.283 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccccc3N(C)C(=O)C3CC3)cc2s1 40143638 GRYRPFKFOZJUQE-UHFFFAOYSA-N 365.458 4.230 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478430 ODKSVDFICLLNSY-LBPRGKRZSA-N 355.825 4.230 0 40 FIAB NC(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl 41127242 ZTWZHJWGFOPGEX-UHFFFAOYSA-N 355.608 4.483 0 40 FIAB CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1cccc(C)c1C 41156297 PXBGXXHTMPTLRY-IBGZPJMESA-N 370.518 4.102 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCCCC[C@H]1c1ccncc1 45975991 DGAPIKLNKTVGIR-SFHVURJKSA-N 367.449 4.392 0 40 FIAB Fc1c(-c2nn3c(-c4ccncc4)nnc3s2)cccc1C(F)(F)F 61720730 ZQZAEDOXZJNTMR-UHFFFAOYSA-N 365.315 4.073 0 40 FIAB CCOCCCn1c(SCc2ccccc2C)nc2ccccc2c1=O 67259150 RLJVPAHUPWCRKN-UHFFFAOYSA-N 368.502 4.424 0 40 FIAB COc1cc(NC(=S)Nc2ccc(F)cc2Cl)cc(OC)c1OC 71761712 WPTCOQHDVPIQRW-UHFFFAOYSA-N 370.833 4.314 0 40 FIAB CCCc1sc(C(=O)N2CCN(c3ccccc3F)CC2)cc1CC 72110708 MNMOQFAFVJPDQG-UHFFFAOYSA-N 360.498 4.365 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 72333808 MAQJNQUUKQKKLU-GFCCVEGCSA-N 366.244 4.336 0 40 FIAB COc1ccccc1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 79477196 KXGIGBNDPKTDCF-GOSISDBHSA-N 366.446 4.009 0 40 FIAB O=C(N[C@H]1CCCC[C@@H]1OC1CCCC1)c1cnn(-c2ccccc2F)c1 89821313 MWZCSMURFARLHU-ICSRJNTNSA-N 371.456 4.012 0 40 FIAB O=C(Nc1ccn(-c2ccccc2)n1)N(Cc1cccnc1)Cc1ccco1 89857631 IREBZRQZMCJUBW-UHFFFAOYSA-N 373.416 4.095 0 40 FIAB O=C(Nc1nc2c(s1)CCC2)[C@H](Oc1ccccc1)c1ccccc1 95949579 GAQYBHFNAJUTGB-GOSISDBHSA-N 350.443 4.391 0 40 FIAB Cc1nc(-c2ccco2)sc1CNC(=O)COc1ccccc1Cl 96102831 ZMFVDZFXUGOIHT-UHFFFAOYSA-N 362.838 4.060 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1C 222550566 MNMLOFHEMILBLC-GOSISDBHSA-N 367.489 4.145 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)c(C)c1 222835239 LMTRDUUZUBYJCH-UHFFFAOYSA-N 363.413 4.342 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccccc1Cl 224166747 RGQXOQRDTZSJPF-OAHLLOKOSA-N 373.880 4.181 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(F)cc2)c2ccccc2O1 225091646 KOGAXIOYTIUOGS-GOSISDBHSA-N 357.425 4.403 0 40 FIAB Cc1ccccc1OCC(=O)NCC1(c2ccc([C@@H](C)O)s2)CCCC1 225681135 WBONQZXWENJBML-MRXNPFEDSA-N 373.518 4.117 0 40 FIAB Cc1cc(N)ccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 227145605 CTLYXAKRIVEJJC-UHFFFAOYSA-N 363.255 4.136 0 40 FIAB O=C(NCc1ccnc(-c2cccs2)c1)C1(c2ccc(F)cc2)CC1 252492431 MLZNWLXCRRXYEK-UHFFFAOYSA-N 352.434 4.297 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 260449457 YAWARCUBOVDMAF-PMACEKPBSA-N 360.542 4.150 0 40 FIAB CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408708885 VAPSSHXNURBMGB-KRWDZBQOSA-N 370.880 4.133 0 40 FIAB COc1ccc(-c2cnc(NCc3ncc(C(F)(F)F)s3)n2C)cc1 569191031 WWRDRFFHQGEHRG-UHFFFAOYSA-N 368.384 4.183 0 40 FIAB O=C(NCc1cnc(-c2ccccc2)s1)c1c(Cl)cncc1Cl 1117753537 RBOCYAIFAVORSI-UHFFFAOYSA-N 364.257 4.442 0 40 FIAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC1CCC(F)(F)CC1 1775964370 KPDCZDZTDRVTJX-WQANXHIZSA-N 368.512 4.360 0 40 FIAB biogenic,in-vitro CC1(C)C[C@@]2(CCCN2Cc2cncc(F)c2)CN1c1ccc(F)cc1 2037989197 YWYHLTILYIXVRL-NRFANRHFSA-N 357.448 4.383 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 818575 SWNKSICGUPMYOF-UHFFFAOYSA-N 364.401 4.378 0 40 FIAB COc1ccc2oc(C)c(C(=O)N3CCN(c4ccccc4C)CC3)c2c1 862817 HVUCWOWREBNNSV-UHFFFAOYSA-N 364.445 4.021 0 40 FIAB Brc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 1245356 JPCBSLRCEYKXSE-UHFFFAOYSA-N 366.222 4.322 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCC3)cc2c1 1359171 JZUIAEIIOZVSOV-UHFFFAOYSA-N 350.418 4.015 0 40 FIAB CCCSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 2238465 LOOPXQZRBVIYTF-UHFFFAOYSA-N 362.524 4.255 0 40 FIAB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccc4c(c3)OCO4)o2)c1 2763682 BEPVBDJJENEOAI-UHFFFAOYSA-N 365.385 4.456 0 40 FIAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2F)s1 2887690 UVEVDNCYAGFYBR-UHFFFAOYSA-N 355.438 4.232 0 40 FIAB COc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4ccccc4)c3n2)cc1 3263809 QJWDWQLZCIKSHY-UHFFFAOYSA-N 359.385 4.103 0 40 FIAB C[C@H](NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 3297974 NJDNLZJTUMLZTF-NSHDSACASA-N 352.217 4.028 0 40 FIAB Cc1ccc(Nc2nc(C)nc3c2nnn3Cc2ccccc2Cl)cc1 4922216 FDOBTSOXGZGYMY-UHFFFAOYSA-N 364.840 4.283 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(F)c(F)c3)c2=O)c1 5270047 YKJIXINXFUNQIP-UHFFFAOYSA-N 368.383 4.044 0 40 FIAB COc1cccc(OC)c1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 5294639 PFRXVVMERZKYFV-HNNXBMFYSA-N 365.429 4.113 0 40 FIAB CCCCc1nc2sc3c(N[C@@H](CC)CO)ncnc3c2c2c1CCC2 5477777 YMJAGNTWYKUZEP-LBPRGKRZSA-N 370.522 4.254 0 40 FIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 5570031 XSBXSZQWPRLJJH-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(-c3ccccc3)cc2)cc1 5621507 HTCWDIXOEVPYJO-UHFFFAOYSA-N 366.438 4.114 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2C1 6606646 UQFWAXRTFCCCSK-CZUORRHYSA-N 372.490 4.078 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccs2)C4)cc1 6755285 OVKVXTGTAQLUHM-CQSZACIVSA-N 360.442 4.074 0 40 FIAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCCCC1 8181533 HCWSHAYQOGOHKL-OUKQBFOZSA-N 372.472 4.350 0 40 FIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@](O)(CCCCO)[C@@]3(C)CC[C@@H]21 8299222 FDLIAZXOUAVHRF-XZCBWCRCSA-N 358.522 4.445 0 40 FIAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1cccs1 8379510 KWDOMYGYQYEJMC-UHFFFAOYSA-N 374.849 4.271 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NCCSc2ccccc2)CC1 9062887 MLFOJGLBVCEPJR-UHFFFAOYSA-N 368.546 4.116 0 40 FIAB Cc1ccc(Cl)c(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 9154971 PWARMTSJJZCSSM-QGZVFWFLSA-N 369.852 4.267 0 40 FIAB COc1ccc([C@@H](NC(=O)Cc2ccccc2OC)c2ccccc2)cc1 9389657 NRGGNKXBJCWMGZ-QHCPKHFHSA-N 361.441 4.152 0 40 FIAB O=C(Nc1cc(Cl)ccc1C(=O)Nc1nccs1)c1cccs1 9576229 JVLICCVVEPEMMO-UHFFFAOYSA-N 363.851 4.363 0 40 FIAB C[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NCc1cccs1 10949446 AYUGMDVIYBDZRX-LBPRGKRZSA-N 369.515 4.366 0 40 FIAB O=C(Nc1ccc(F)cc1)c1nnn(-c2ccccc2)c1-c1ccccc1 11690077 UYKPTCCOTKLKRR-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1Cl 12550096 ADSAPRSVCGBUGS-OAHLLOKOSA-N 369.852 4.090 0 40 FIAB CCc1ccc(-c2noc(CSc3nc(-c4ccccc4)n[nH]3)n2)cc1 12616759 OVBYOODDDOMILL-UHFFFAOYSA-N 363.446 4.376 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3C)CC2)cc1 12740677 DRRPQXXWMUQROF-UHFFFAOYSA-N 351.446 4.047 0 40 FIAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1C 12757457 XDTIACVSAJHYJF-UHFFFAOYSA-N 372.490 4.023 0 40 FIAB CCc1sc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1C 12845182 VTQYDEQVNMPXMV-CQSZACIVSA-N 354.479 4.033 0 40 FIAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1Cl 12932039 DHQYSEPARODBPQ-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB Cc1cccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1C 12938562 SSJLMWGYUKSVRU-VAWYXSNFSA-N 362.473 4.194 0 40 FIAB C[C@@H](NC(=O)CSc1ccccc1C(=O)O)c1cc2ccccc2o1 12973955 IYNLDKSEKNAFQJ-GFCCVEGCSA-N 355.415 4.101 0 40 FIAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1 13167569 HEKMQXOVDKBZDU-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)COc2ccccc2)cc1 13631053 VHVVWYXVWUGLDF-UHFFFAOYSA-N 374.440 4.275 0 40 FIAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1 13758175 WFXKKGMDKLBTSW-UHFFFAOYSA-N 354.837 4.234 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 14263242 ZLFJVVQRPOEFFB-SFHVURJKSA-N 369.852 4.028 0 40 FIAB COC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc(C)c1C 14652003 KBNWSTJQEUAOPJ-UHFFFAOYSA-N 353.443 4.486 0 40 FIAB Cc1ccc(NCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1F 15293624 XVSZSQNKXQWPFX-UHFFFAOYSA-N 358.747 4.440 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3cc(C)ccc3OC)[nH]c2c1 16765246 RGZMTWKOWTZFGA-LBPRGKRZSA-N 371.462 4.008 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 19687019 FPAXVRTVZIQRKI-OAQYLSRUSA-N 366.505 4.378 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 20042929 QPAITJGLXMIFAE-QRWLVFNGSA-N 357.450 4.129 0 40 FIAB Cc1nc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)[C@@H](C)O3)cs1 20163402 NHAVBVMLYCTSRN-CYBMUJFWSA-N 350.443 4.433 0 40 FIAB Cc1cccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)no2)c1 21806545 ZJEBLOFNEIXWAL-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 22193379 AEJXQBZEGWDHJF-GFCCVEGCSA-N 374.893 4.352 0 40 FIAB COc1ccccc1CNC(=O)c1sc(N(C)c2ccccc2)nc1C 22245456 GDHDEVVKXMRZBH-UHFFFAOYSA-N 367.474 4.158 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1OC(F)F 23241049 MYCNVXBNPYHZLR-UHFFFAOYSA-N 374.431 4.204 0 40 FIAB O=C1COc2ccc(Nc3nc(-c4cccs4)nc4ccccc34)cc2N1 24750380 KKYMOXUNMZYJMN-UHFFFAOYSA-N 374.425 4.433 0 40 FIAB O=c1nc(SCc2ccccc2F)c2c(n1Cc1ccccc1)CCC2 27993579 JCJCIDRPSREWIN-UHFFFAOYSA-N 366.461 4.212 0 40 FIAB CN(C(=O)c1ccc(OCc2cccnc2)cc1)[C@H]1CCc2ccccc21 29822248 SNSLSDQTFCLVBI-QFIPXVFZSA-N 358.441 4.420 0 40 FIAB Cn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc(Cl)c1Cl 30672480 ZEOVEIRUAXURJI-UHFFFAOYSA-N 351.277 4.427 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3n[nH]cc32)c1OCCc1ccccc1 31807982 PJCUPFZRSCHVQL-MRXNPFEDSA-N 363.417 4.163 0 40 FIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(OC)c1 32548004 ZTQZYBHASWARMU-LLVKDONJSA-N 368.260 4.431 0 40 FIAB CN(Cc1cccs1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 32768383 WGRKDZNAPWKUGP-UHFFFAOYSA-N 360.479 4.045 0 40 FIAB CCc1cccc(C)c1-n1nnnc1[C@@](C)(CC)Nc1ccccc1OC 35622255 BNDOAFTZQSEZRO-OAQYLSRUSA-N 365.481 4.279 0 40 FIAB c1ccc(-c2csc3ncnc(N[C@H]4CCN5CCCC[C@H]45)c23)cc1 36389594 SBUYOVDDXFAHBK-DLBZAZTESA-N 350.491 4.397 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCC[C@H](C(F)(F)F)C1 40142086 KFPZRLHAEJZEPI-ZFWWWQNUSA-N 370.415 4.388 0 40 FIAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)C(C)C 45890810 UMFREERDWKHNKX-UHFFFAOYSA-N 364.081 4.005 0 40 FIAB Cc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)o1 49169761 AZEHAQFFYGCTSE-HNNXBMFYSA-N 362.433 4.033 0 40 FIAB biogenic,in-vitro C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc2c(c1)OCC(=O)N2)C1CC1 57250979 VGSDCRCTHBKTTB-LBPRGKRZSA-N 370.836 4.037 0 40 FIAB Cc1ccc(-c2cc(NC(=O)CN[C@@H](C)c3ccc(F)cc3F)on2)cc1 58158042 NIFBAZOKNACEPQ-ZDUSSCGKSA-N 371.387 4.218 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1C(=O)O 58707513 LSUOTBVWCSLEGA-UHFFFAOYSA-N 367.426 4.161 0 40 FIAB Cc1cc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)o1 60346400 YDUZQPODGKAQPP-KRWDZBQOSA-N 367.232 4.170 0 40 FIAB CCc1c(C(=O)CSc2c(F)cc(F)cc2F)[nH]c(C)c1C(C)=O 63430035 AMCUFJJHLNPRJP-UHFFFAOYSA-N 355.381 4.480 0 40 FIAB C[C@H](NC(=O)NC1CCCCCCC1)c1nc(-c2ccc(F)cc2)no1 64645155 ACJDRGQWUTUOON-ZDUSSCGKSA-N 360.433 4.349 0 40 FIAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2-c2ccco2)on1 72338430 IFDLWYCQCKGHAC-UHFFFAOYSA-N 350.353 4.451 0 40 FIAB CC(C)[C@H](C)N(C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)C1CC1 75092408 CARXYBMNRJFYSL-HNNXBMFYSA-N 363.465 4.461 0 40 FIAB COC(=O)c1ccc(O[C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1 78876230 HLSVLYAGICBCML-LBPRGKRZSA-N 372.808 4.240 0 40 FIAB CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1ccccc1F)c1ccccc1 84200501 AFAJMMIHYWXRNN-GOSISDBHSA-N 372.440 4.098 0 40 FIAB CC(C)CCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 84510415 MHJZCPGWFHHJBJ-UHFFFAOYSA-N 364.338 4.278 0 40 FIAB O=C(N1CCO[C@H](Cc2ccccc2)C1)C1(c2cccs2)CCCC1 85473056 VGFBZHVZVAZLML-GOSISDBHSA-N 355.503 4.030 0 40 FIAB CCOC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695405 ZMVIEBSZZKREHK-JXMROGBWSA-N 364.367 4.410 0 40 FIAB CCN(C)[C@@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccccc1 95445059 AYEXOHCFLLMBTC-HXUWFJFHSA-N 362.477 4.082 0 40 FIAB C[C@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)c2cccnc2O1 95973369 RCPBLLSTMUHCNI-JTQLQIEISA-N 373.206 4.018 0 40 FIAB Cc1ccc(C2C[C@H]3CC[C@H](C2)N3C(=O)c2noc3c2CCCC3)cc1 100172302 IKGYVLOMQDHEBK-QZTJIDSGSA-N 350.462 4.413 0 40 FIAB Brc1cccc([C@H]2C=C(c3cccs3)Nc3ncnn32)c1 100755683 QXIGIPWWUSRRGS-CYBMUJFWSA-N 359.252 4.158 0 40 FIAB C[S@@](=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1F 173224408 VPWPWHVHDCHOEA-RUZDIDTESA-N 361.369 4.215 0 40 FIAB Cc1nc(-c2ccccc2NC(=O)Nc2ccc3c(c2)OCO3)cs1 206909249 XMEGVLUUUYCITP-UHFFFAOYSA-N 353.403 4.491 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 222734809 OWMDBZLCJPRONX-DNVCBOLYSA-N 369.461 4.055 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 223137953 ZRSUFEGQKFNNFD-CYBMUJFWSA-N 350.418 4.051 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 224693957 QRMLMWWZSJZOKS-QZTJIDSGSA-N 371.477 4.437 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccc(F)cc1 225189462 JGISFBPNXAXNIG-ZDUSSCGKSA-N 368.437 4.456 0 40 FIAB CC(C)(C)SCCNC(=S)Nc1ccc(Br)cc1F 225351414 CKQWTHKLNFZLSQ-UHFFFAOYSA-N 365.337 4.406 0 40 FIAB Nc1cc(NC(=O)c2ccccc2Br)ccc1N1CCCCC1 226266175 MYVVPSLVIHGTHC-UHFFFAOYSA-N 374.282 4.274 0 40 FIAB COc1ccc(C(=O)CCc2cc(Br)cs2)cc1OC 228927893 KRIAKHKGLGGTHT-UHFFFAOYSA-N 355.253 4.343 0 40 FIAB CC(=O)N[C@]1(C)CC2(CCN(c3ccccc3)CC2)O[C@@H]2C[C@H](C)CC[C@H]21 257288815 PVVBTTHRCQQQRG-BRKWEVRTSA-N 370.537 4.146 0 40 FIAB Cc1cccc(NC(=O)CSc2nc(O)c3c(C)csc3n2)c1C 408597067 ZSTAIAHDOBSWEK-UHFFFAOYSA-N 359.476 4.053 0 40 FIAB Cc1ccccc1C(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(F)cc1 408970775 DWHAXPBUJMAGIJ-UHFFFAOYSA-N 366.392 4.004 0 40 FIAB CC(C)COC(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)oc1ccccc12 408996750 AMWGRMXEMUCDAN-ZDUSSCGKSA-N 354.406 4.295 0 40 FIAB Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)c1 501198299 UCDRMHBUHAHTPG-OAQYLSRUSA-N 373.399 4.265 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cc(O)c2ccccc2c1 526919059 OGRCHLYYZKORJJ-SFHVURJKSA-N 359.347 4.449 0 40 FIAB O=C(NCc1ccc(-c2ccco2)cc1F)N[C@@H]1CCOC2(CCCC2)C1 572946613 WFAORGUAPHFDEW-QGZVFWFLSA-N 372.440 4.377 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)c3cccc4ccsc34)CC2)no1 585085676 FVQLJOIKUYBMKX-UHFFFAOYSA-N 355.463 4.428 0 40 FIAB O=C(CCc1ccon1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 618961002 LIJBJZJDQVFGNZ-LJQANCHMSA-N 372.877 4.496 0 40 FIAB Cc1nscc1C(=O)N1CC(C)(C)Oc2cc(Br)ccc21 622986455 AEQXCLRYFKMLIX-UHFFFAOYSA-N 367.268 4.032 0 40 FIAB O=C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1775975820 OSFHWUQGOUQKHI-STQMWFEESA-N 350.249 4.198 0 40 FIAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cccc(C(F)(F)F)c2)c1 1889139376 MTKNAHVDPGVKEF-SJPCQFCGSA-N 363.383 4.219 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCCCCC1 781891 HTZBFDKOFFNLJN-UHFFFAOYSA-N 361.536 4.065 0 40 FIAB COc1cc(NC(=O)c2cccnc2)ccc1-c1cc2ccccc2oc1=O 872502 MOXVKSQQUOKTPC-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCCCCC2)cc1 1102318 ITJLLWNGLXRQNC-XDJHFCHBSA-N 368.502 4.230 0 40 FIAB CS(=O)(=O)Cc1cc(Oc2ccc(Cl)cc2)nc(-c2ccccc2)n1 1388951 FUHRONMYDHPTJO-UHFFFAOYSA-N 374.849 4.134 0 40 FIAB CCS(=O)(=O)c1ccc(NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 1698195 LVBJWTWJPJEYHZ-ZTFGCOKTSA-N 367.511 4.490 0 40 FIAB O=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2ccccc2c1=O 2688687 CMTRVTHQDIUNNG-UHFFFAOYSA-N 357.384 4.420 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1OC 2721888 PFNAOXFBYXBWHG-UHFFFAOYSA-N 369.446 4.162 0 40 FIAB O=C(CSCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 3178275 WQVPBMRNLQJMBW-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB O=C(c1ccccc1)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 3359556 YUSKBQZUEPGLFG-FQEVSTJZSA-N 372.453 4.379 0 40 FIAB COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c(OC)c1 4313417 NMJFWHJSKKZETL-AUUYWEPGSA-N 374.824 4.127 0 40 FIAB CCc1cccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2C)c1 4315750 KOKXGDUTUVIQSG-UHFFFAOYSA-N 370.840 4.052 0 40 FIAB CC(C)c1ccc(NC(=O)CCCC(=O)NCCc2ccccc2)cc1 4680956 ASJKRVNZEUMMAV-UHFFFAOYSA-N 352.478 4.278 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CCCC4=O)cc1 4735829 OPOKJULDGYBXHI-UHFFFAOYSA-N 369.442 4.369 0 40 FIAB CCCc1cc(=O)oc2cc(O[C@H](C(=O)OC)c3ccccc3)ccc12 4747460 IDYQRTRHYWQKKY-FQEVSTJZSA-N 352.386 4.039 0 40 FIAB biogenic,in-vitro CCCCCCc1cc2cc(C(=O)Nc3nccs3)c(=N)oc2cc1O 4785748 AAJROORCGXBCHP-UHFFFAOYSA-N 371.462 4.449 0 40 FIAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 5260115 KUTBFQGLOCBKQH-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB Cc1ccccc1Cn1c(C)c(/C=C2/SC(=N)NC2=O)c2ccccc21 5593392 ZIGTUXSFUURAIU-YBFXNURJSA-N 361.470 4.445 0 40 FIAB O=C(Nc1ccc(Cl)cc1)O[C@H](C(=O)c1ccccn1)c1ccccn1 5594527 MKGNOXNBEADOJF-SFHVURJKSA-N 367.792 4.303 0 40 FIAB CC1=C[C@H](C/C(C)=C/COc2c3occc3cc3ccc(=O)oc23)OC1=O 5767366 XVVBVBKVMMNZHB-SRXKAHCNSA-N 366.369 4.126 0 40 FIAB biogenic,in-vitro Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]2)cc1 5868258 ULAPTVJIGBGOFJ-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB CCNC(=S)/C(=C(/O)c1ccc(-c2ccccc2)cc1)[n+]1ccccc1 5926364 HGPSJILKDVMTQL-UHFFFAOYSA-O 361.490 4.462 0 40 FIAB CCCCC1=N[C@H]2Sc3c(ncn4c(SC)nnc34)[C@@H]2C2=C1CCC2 6309844 MZLRSSBWLXQFJU-GUYCJALGSA-N 371.535 4.487 0 40 FIAB Cc1noc(C)c1CC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 6881250 FBZYLJYQMYLNHF-SNVBAGLBSA-N 363.870 4.012 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(N2CCCC2=O)c1 6987604 QNNVMCBIAJXFAK-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccn2)cc1 7778410 YNZKRAWXCVVFFU-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 7989300 MDGXMDWISKEIDH-LBPRGKRZSA-N 355.388 4.258 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 8041631 RULCPGBJLGZKJR-HNNXBMFYSA-N 354.450 4.254 0 40 FIAB COC(=O)c1ccccc1NC(=O)CSc1cccc2ccccc12 8102314 IZDQFHGNKYFQBC-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062876 AWRXAVDHVXOMSS-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 9314098 CRVZRELIIPBVBY-JTQLQIEISA-N 352.203 4.088 0 40 FIAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)[C@@H]1CCCO1 12538476 CXILGFAFZKGSSP-HNNXBMFYSA-N 367.474 4.288 0 40 FIAB CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 12824326 GFVSOFKQJFTXQY-GFCCVEGCSA-N 361.825 4.347 0 40 FIAB CCCC(=O)N1N=C(c2ccccc2C)C[C@@H]1c1ccc2nccnc2c1 13014097 MELFUAPVPRCYBX-OAQYLSRUSA-N 358.445 4.416 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 13985513 BTVBAFFOJBILHR-UHFFFAOYSA-N 369.490 4.240 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c(C)c1 14094441 DFWRTUWZBPVSFQ-KBXCAEBGSA-N 368.477 4.016 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccccc1Cl 14136954 TTWXIATYLGKMLB-UHFFFAOYSA-N 357.866 4.439 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1C 14258093 DVGYVSNSHQRQIK-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2)N1C[C@H]1CCCO1 15503020 VOIATPNTZBHCRA-QAPCUYQASA-N 374.387 4.034 0 40 FIAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 16084497 QVPTWGBZILLWSJ-UHFFFAOYSA-N 364.681 4.468 0 40 FIAB Cc1nn(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(C)c1Cl 17076542 NVFXOTYASOTFLH-UHFFFAOYSA-N 374.076 4.351 0 40 FIAB CCCNc1nnc(S[C@@H](C)C(=O)Nc2ccccc2SC)s1 19298703 NRHBTEYAVFEEGC-JTQLQIEISA-N 368.553 4.201 0 40 FIAB CN(C)CCN(Cc1cccs1)Cc1c[nH]nc1-c1ccc(Cl)cc1 19582666 OYLZJQZYRMSFBW-UHFFFAOYSA-N 374.941 4.355 0 40 FIAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2Cc2ccnn2C)n1 19691993 QOECCPVRPCVOSB-QHCPKHFHSA-N 360.505 4.360 0 40 FIAB CCc1cc(C(=O)N2CCC[C@H]2c2cccc(OC)c2)c2c(C)noc2n1 19714522 RQCZLGZXNFWKAT-SFHVURJKSA-N 365.433 4.080 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc1 21168690 VWZIPOUNYLZLEE-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 21357711 PBGMBLYMLNMHPI-LBPRGKRZSA-N 352.356 4.177 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)c1 22904651 ZQPRYVYQCZNJBT-GJZGRUSLSA-N 359.491 4.203 0 40 FIAB FC(F)(F)c1cccc(-c2noc(CN3CCc4ccccc4C3)n2)c1 23172405 XZBZEWZYIOEEPO-UHFFFAOYSA-N 359.351 4.314 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 24752077 FGVOAARYLJJZJE-NXEZZACHSA-N 354.294 4.260 0 40 FIAB COc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 30874019 FHXICSZLSBJIDP-QHCPKHFHSA-N 361.441 4.288 0 40 FIAB COc1ccc(-c2cc3ncnc(N[C@H](C)[C@H]4CCCO4)c3s2)cc1 31526890 IQGTXRJGOQYWJB-MLGOLLRUSA-N 355.463 4.346 0 40 FIAB CC(C)(C)[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 32832745 NLSXXVGXKRSXGQ-NQIIRXRSSA-N 364.489 4.481 0 40 FIAB O=C(O)c1cc(-c2ccccc2)n(-c2nc(-c3cccc(O)c3)cs2)n1 33435786 XXBRJJBHWWZAJP-UHFFFAOYSA-N 363.398 4.067 0 40 FIAB COC(=O)c1cc(Nc2ccc(OC)cc2OC)c2cc(Cl)ccc2n1 38486606 KTSCJRBFUDPKKZ-UHFFFAOYSA-N 372.808 4.436 0 40 FIAB O=C(NCCCOCc1ccco1)Nc1ccc(OC(F)F)c(Cl)c1 40024041 FKTZLIMOIIMWKF-UHFFFAOYSA-N 374.771 4.263 0 40 FIAB O=C(NCC(F)(F)F)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 40052605 QGHNVNXGNHWLNV-UHFFFAOYSA-N 364.298 4.440 0 40 FIAB CC(C)CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 40128629 OSGOTMHFILSZDD-HNNXBMFYSA-N 358.507 4.233 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1OCC 44849854 DEGJOXOCSSOOCJ-LJQANCHMSA-N 371.477 4.266 0 40 FIAB CCc1ccc(CNC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)s1 48356448 NVEHRBCDBUDMJE-UHFFFAOYSA-N 357.479 4.289 0 40 FIAB Fc1ccc(CCNc2ncnc3sccc23)cc1Br 49320664 DSCKLUPUJHKQBX-UHFFFAOYSA-N 352.232 4.248 0 40 FIAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 51329954 QCNFXBFFQZTQHX-GOSISDBHSA-N 367.518 4.494 0 40 FIAB CCCc1noc(CCCC(=O)Nc2ccc(-c3ccccc3)cn2)n1 58023230 SRJLVGGJDHBDAG-UHFFFAOYSA-N 350.422 4.046 0 40 FIAB O=C(OCc1ccc(-n2cccn2)cc1)c1[nH]c2ccccc2c1Cl 58732378 GJOAAUBHHWAFRV-UHFFFAOYSA-N 351.793 4.364 0 40 FIAB COc1c(C)cnc(CN(C)C(=O)c2oc3ccc(F)cc3c2C)c1C 60216122 IVCJZSBYHJWURV-UHFFFAOYSA-N 356.397 4.173 0 40 FIAB CSc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 64467775 MHNIMWZCXXTRGJ-UHFFFAOYSA-N 363.382 4.108 0 40 FIAB Cc1ncc(C(=O)NCC2(c3cccc(Br)c3)CCC2)s1 65489531 AOPQVKPVZACCNQ-UHFFFAOYSA-N 365.296 4.066 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)CCc1csc2nc(C3CC3)cn12 70655573 JEVPBYMUFJUDQB-OAHLLOKOSA-N 367.518 4.343 0 40 FIAB CC(=O)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215555 OEZXSNNRZAYPIY-GOSISDBHSA-N 373.497 4.449 0 40 FIAB O=C1CCc2ccc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)cc2N1 72295833 ADHBFNIEVFKBPC-JOCHJYFZSA-N 372.424 4.330 0 40 FIAB COc1cccc([C@@H](Nc2ncc(Br)cn2)C(C)(C)C)c1 75105789 HVQNNSTYVTUASA-CQSZACIVSA-N 350.260 4.447 0 40 FIAB COc1ccc(OC)c(NC(=O)N[C@H](C2CCCCC2)C(F)(F)F)c1 75109151 DHRCKWHUMRREFV-OAHLLOKOSA-N 360.376 4.337 0 40 FIAB CC(=O)c1c(C)nc(C)nc1SCC(=O)c1cc(C)n(C2CC2)c1C 78392537 GNUQOIABPNVFNA-UHFFFAOYSA-N 357.479 4.024 0 40 FIAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1c(F)cccc1F 89385736 HCTMAVVCQKSEQK-IBGZPJMESA-N 354.356 4.349 0 40 FIAB O=C(CC1CC1)N1Cc2cc(Nc3cccnc3)ccc2[C@@H]1c1cnco1 96087000 DHWCETCIKVUTIY-OAQYLSRUSA-N 360.417 4.045 0 40 FIAB O=C(/C=C/c1cccs1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 96096368 NFMMBEYHRSXHOP-VOTSOKGWSA-N 371.849 4.091 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)cc1 103510555 UJNDJOLDELECBW-DYESRHJHSA-N 352.478 4.100 0 40 FIAB CCOc1ccccc1CCCNC(=O)CCc1ccc(OC)c(C)c1 222568379 SHGRKODAOQHEIB-UHFFFAOYSA-N 355.478 4.084 0 40 FIAB Cc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 224851176 XMLILPRQVUROBA-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225107411 OCKULMBTSXAQJP-UHFFFAOYSA-N 357.834 4.011 0 40 FIAB Cc1ccc(SCCNC(=O)Cc2cccc(Br)c2)cc1 225612604 CDFFGPOLIRBBAO-UHFFFAOYSA-N 364.308 4.209 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C 225650096 XLGIABRHNZPMPS-GFCCVEGCSA-N 359.297 4.035 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Cl)cc1 225738975 XMBIWMUECGOJSX-CQSZACIVSA-N 359.926 4.468 0 40 FIAB CCc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 225820494 JHNBBOUZONSKFG-UHFFFAOYSA-N 372.881 4.439 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)cc1 243967819 SBLJIHJOSBLJHS-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB Cc1nc2cc(NC(=O)c3cccnc3O[C@H]3CCSC3)ccc2s1 244975135 IDAMLGJJWPVTJA-ZDUSSCGKSA-N 371.487 4.136 0 40 FIAB CCOC(=O)C1=CNc2cc(-c3ccc(C)cc3)nn2[C@H]1c1ccccc1 409026787 YFRWEPHFOUIYQW-NRFANRHFSA-N 359.429 4.320 0 40 FIAB CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 409412393 VXVJDWZNPZMRQQ-UHFFFAOYSA-N 374.506 4.024 0 40 FIAB CCOc1ncccc1-c1noc(C(C)(C)Oc2ccc(Cl)cc2)n1 517201088 QWWFNJKPDPVMQA-UHFFFAOYSA-N 359.813 4.498 0 40 FIAB Oc1nnc(SCCCc2cccc3ccccc23)n1C[C@@H]1CCCO1 524033062 AWLJDSFEOABWFG-KRWDZBQOSA-N 369.490 4.041 0 40 FIAB CCc1cc(C(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c(C)nn1 579531641 FHOFBPBSPHQBGT-UHFFFAOYSA-N 351.372 4.031 0 40 FIAB Cc1cc(C)c2cc(CN3CC[C@@H](OCc4c(C)noc4C)C3)[nH]c2c1 585084634 WSDZCPHQBFYUGW-GOSISDBHSA-N 353.466 4.181 0 40 FIAB CN(C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)c1cc(Cl)cc(Cl)c1 622801610 DLQSFSIYBMVYOM-CVEARBPZSA-N 369.292 4.137 0 40 FIAB Cc1cc(C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)nn1C(C)C 629621298 LVFLGOCPXOWWCF-UHFFFAOYSA-N 362.836 4.019 0 40 FIAB CC(C)Nc1ccc(C(=O)NCCn2c3ccccc3c3ccccc32)cn1 1546071830 PRORVQIITWTDFL-UHFFFAOYSA-N 372.472 4.440 0 40 FIAB COc1cc(C(=O)NCc2cccc3ccccc23)cc(Cl)c1OC 667537 YZQPPMTUBHYEBE-UHFFFAOYSA-N 355.821 4.440 0 40 FIAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cc1Cl 810568 KUHBIOMROFRIPK-UHFFFAOYSA-N 370.217 4.367 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2O)o1 852452 PQUDDUNSHWBPMB-CYBMUJFWSA-N 369.446 4.178 0 40 FIAB CC(C)(C)c1nc(SCC(=O)NCc2cccs2)c2ccccc2n1 1342534 GTKURXDJTTUQET-UHFFFAOYSA-N 371.531 4.397 0 40 FIAB O=C(c1ccco1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 1359434 RYTKPLVJKXVZHL-UHFFFAOYSA-N 357.797 4.003 0 40 FIAB CCOc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 2472080 PRJUVXSXGWTMDH-IAGOWNOFSA-N 369.856 4.059 0 40 FIAB CC[C@@H](C)Sc1nnc(CSc2ncccn2)n1-c1ccccc1 2706064 MZZBYUUDYWQMKF-CYBMUJFWSA-N 357.508 4.240 0 40 FIAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccco1 3118050 YNSAHHRDJDQIMD-UHFFFAOYSA-N 351.383 4.266 0 40 FIAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(C)c1C 3259285 VAXUBESNRFZGGH-HXUWFJFHSA-N 352.478 4.395 0 40 FIAB Cc1csc(SCC(=O)Nc2ccc(Br)cc2F)n1 3347765 FPZJTOUJQCACMT-UHFFFAOYSA-N 361.261 4.084 0 40 FIAB COc1ccc(NC(=O)[C@H](NCc2ccco2)c2ccccc2)cc1Cl 3438882 UYJDWMVGNGUFCO-LJQANCHMSA-N 370.836 4.411 0 40 FIAB Cc1cccc(C(=O)N(CCN(C)C)c2nc3c(Cl)cccc3s2)c1 4359302 XRSFOPICOMPKFE-UHFFFAOYSA-N 373.909 4.467 0 40 FIAB CCN(CC)CC(=O)Nc1sc(C)cc1C(=O)c1ccc(Cl)cc1 4848723 SQRJSPLEIPFKSN-UHFFFAOYSA-N 364.898 4.221 0 40 FIAB CCN1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)O)c2C1 5131348 UZLYDACUZMAVMX-RAXLEYEMSA-N 350.443 4.371 0 40 FIAB COc1ccc(CSc2nnc(COc3cccc(C)c3)o2)cc1F 5294151 DIGDQPBTAJLYBX-UHFFFAOYSA-N 360.410 4.397 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)Nc1ccc2c(c1)OCCO2 5297121 YQIQKAHXQRZVQM-UHFFFAOYSA-N 372.471 4.064 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccc1 5429107 CNYQERGGVULWAN-NSHDSACASA-N 368.658 4.186 0 40 FIAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(C)cc1 5478715 BCWYXATVUBPCOB-UHFFFAOYSA-N 355.438 4.388 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)n[nH]2)cc1 6178322 BVVUZXAGYQKXRA-ZDUSSCGKSA-N 352.463 4.153 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(F)c(F)cc1Cl 6334478 QLLKWLFURFNMHU-UHFFFAOYSA-N 365.792 4.313 0 40 FIAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c1C 6479092 YKBKZEJZUDKFIA-OQLLNIDSSA-N 372.471 4.040 0 40 FIAB Cc1cc(NC(=O)CCC2CCCCC2)n(-c2nc3ccccc3[nH]2)n1 6566816 RUDAQIWXPKMJRP-UHFFFAOYSA-N 351.454 4.356 0 40 FIAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc(C)c1O 7113478 YIUBDRNBOHYXPN-INIZCTEOSA-N 350.340 4.138 0 40 FIAB CC[S@@](=O)c1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 7718294 XHZHZMYBNYJROL-QFIPXVFZSA-N 356.274 4.051 0 40 FIAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCCCCC2)cc1 8341922 LHOZXFPFZACLRI-FQEVSTJZSA-N 364.445 4.307 0 40 FIAB CC1(C)COc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2NC1=O 8959846 IZDORHBMQSLWQA-UHFFFAOYSA-N 368.477 4.199 0 40 FIAB CN(Cc1ccsc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9514006 XNFALBBXEVARNI-UHFFFAOYSA-N 374.469 4.268 0 40 FIAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccncc4)ccc3o2)c1 9659986 UMZIRGRUZLCXAX-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic COC(=O)[C@H](Sc1nnc(NC(C)C)s1)c1ccccc1Cl 9690346 DBPGPDUKBSVYBK-LLVKDONJSA-N 357.888 4.018 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(OC(F)F)cc1 10280589 IPHOBCSVOJDFPY-UHFFFAOYSA-N 374.431 4.204 0 40 FIAB Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2cnn(C(C)C)c2n1 10809004 HGQPDPAHLWJXPP-OAHLLOKOSA-N 350.466 4.072 0 40 FIAB Fc1ccccc1-c1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 11598655 WNACNWRNYYHPRS-MRXNPFEDSA-N 369.465 4.404 0 40 FIAB CSc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)cc1 12038196 YDUNAUZEPNFVRC-UHFFFAOYSA-N 360.504 4.027 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H](Cc2cccs2)c2nccs2)n1 12225941 SVUMAVLAHFWGEB-GDBMZVCRSA-N 374.535 4.069 0 40 FIAB COc1ccc2[nH]c(CN3CCC(O)(c4ccc(F)cc4)CC3)c(C)c2c1 12363574 GFDQNXOCJMUHAP-UHFFFAOYSA-N 368.452 4.108 0 40 FIAB O=C([C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1)N1CCCC1 12524820 KCYGFSAFVBKCEL-QFIPXVFZSA-N 363.505 4.453 0 40 FIAB CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1C(F)(F)F 12767315 BYRQRHLQYXETDX-UHFFFAOYSA-N 358.310 4.054 0 40 FIAB CCOc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 13494921 GJINBJOYOPFYGL-LBPRGKRZSA-N 371.824 4.280 0 40 FIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccs1 14258115 MJVZUTJPZOYBDF-UHFFFAOYSA-N 352.394 4.182 0 40 FIAB COc1cc2c(cc1O)C(=O)[C@H](C)[C@@H](C)[C@@H]2c1ccc(OC)c(OC)c1 14726861 DRKPZVVNEGETTG-FKANQGBASA-N 356.418 4.018 0 40 FIAB biogenic,in-vitro O=C(Cc1ccc2c(c1)CCC2)Nc1ccnn1Cc1ccc(Cl)cc1 15641531 DWSXZKSAZLDDEK-UHFFFAOYSA-N 365.864 4.255 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)OCc1nc(-c2ccsc2)no1 15685156 RDQZIRQECDXZDS-UHFFFAOYSA-N 367.430 4.346 0 40 FIAB CC[C@@H]1CSC(N(CC(=O)c2ccc(OC)cc2)c2ccccc2)=N1 16739970 WSUYQVODMQQHFF-MRXNPFEDSA-N 354.475 4.266 0 40 FIAB O=C(c1ccccc1)[C@]12COc3ccccc3[C@H]1ON=C2c1ccccc1 17140036 HFGZVHAAUBYIRX-DHIUTWEWSA-N 355.393 4.424 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)Nc1cccc2nsnc12 19077185 YBLSPUHASMWKSK-UHFFFAOYSA-N 354.218 4.016 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@@H](O)c2cc(C)ccc2C)cc1OC 19132046 QFYQFRXUOSIZJU-VQTJNVASSA-N 355.478 4.191 0 40 FIAB CCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccc21 20150951 WXCGHDFZRVFFLV-UHFFFAOYSA-N 368.912 4.422 0 40 FIAB Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(-c3ccco3)nc2n1 21042044 NSQLZTTVNIAAEA-UHFFFAOYSA-N 359.311 4.455 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(Cl)cc1 22527690 SXIFNVKSYNFXTM-LJQANCHMSA-N 361.869 4.255 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1cc(C)c(C)cc1C 22540372 AOQOUUXNEOCOSY-CQSZACIVSA-N 367.898 4.313 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC1CCCCCCC1 22878376 OJRFRPMZVJMORH-INIZCTEOSA-N 355.486 4.083 0 40 FIAB CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc(C(F)(F)F)c1 27287783 MPDQGUSGVJYZBS-UHFFFAOYSA-N 362.395 4.230 0 40 FIAB CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27582200 BURRSHNNMZLBGU-IBGZPJMESA-N 372.534 4.494 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)cc1OC 28909518 NIQKJZCUBWPBSS-NSHDSACASA-N 371.462 4.061 0 40 FIAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 30752481 GAQQLYPGWVMJLY-GOSISDBHSA-N 355.478 4.137 0 40 FIAB Cc1sc2nc(N3CCCC3)n3nc(Cc4ccccc4)nc3c2c1C 32103484 SWALMMXTXIJZTH-UHFFFAOYSA-N 363.490 4.147 0 40 FIAB O=C(CCC(=O)N[C@@H]1CCCc2ccccc21)CCC(=O)c1cccs1 32656977 LDSKMJYQBHPWDX-GOSISDBHSA-N 369.486 4.254 0 40 FIAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccccn2)c1 32893116 NDPKVERFVVJSFM-KRWDZBQOSA-N 373.456 4.444 0 40 FIAB Cc1ccc(C[C@@H](C(=O)O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 35142032 HWPYXNZTJGFSAT-XJKSGUPXSA-N 359.853 4.475 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)c3cccc4ncccc34)nc2C1 35315492 CFNOEMZCQSYAFI-UHFFFAOYSA-N 351.431 4.099 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(C)c2)cc1Cl 36621047 JOWGCFOQAKUIFH-KRWDZBQOSA-N 365.882 4.183 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)c1cncn1-c1ccccc1 36775417 DXNPYEUNRPVVLE-UHFFFAOYSA-N 361.426 4.353 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 38832819 DUJMFFOAICBBPW-QFBILLFUSA-N 356.897 4.429 0 40 FIAB CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 40162130 PVEIVVOJRPWQRW-IBGZPJMESA-N 368.477 4.198 0 40 FIAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 57525483 BOBQJYXKIHKIQK-UHFFFAOYSA-N 352.217 4.122 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1 58415982 IVVPFGCSUFDIPY-UHFFFAOYSA-N 370.381 4.075 0 40 FIAB Cc1cc(C)nc(N2CCC[C@H]2c2ccc(Nc3ncccc3C)cn2)n1 72353072 KPDWDJFUEIUYQX-IBGZPJMESA-N 360.465 4.277 0 40 FIAB c1ccc(CCN2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 72377559 JBASBVOVBWOYIY-IBGZPJMESA-N 359.477 4.037 0 40 FIAB CC(C)n1ccc2cc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)ccc21 79191839 ONWYPDKTCIPTDT-VQTJNVASSA-N 353.510 4.217 0 40 FIAB biogenic O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2c(cnn2C2CCCC2)c1 84338927 LHNNGPXOKUPTKQ-UHFFFAOYSA-N 364.493 4.245 0 40 FIAB Cc1cccc(CN(Cc2cccc(C)n2)c2ccnc(C(C)(C)C)n2)n1 95964279 SUTOZLKKWPDWHJ-UHFFFAOYSA-N 361.493 4.388 0 40 FIAB Fc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1 96038213 UTZACKPAIJTBRN-UHFFFAOYSA-N 350.441 4.125 0 40 FIAB Fc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 96057051 YINWRGIHERSHJW-FGZHOGPDSA-N 361.501 4.404 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102086434 DCYXTQSPAOVLME-LWGWVAHUSA-N 358.482 4.433 0 40 FIAB C[C@@H]1CCC[C@@H](CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 102309826 IQEOQPCLNGNJLT-HZPDHXFCSA-N 368.481 4.054 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 219029015 JRDAZUAYPHFLFF-ROUUACIJSA-N 363.457 4.499 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 222982419 WWLKAMHJEGKTBI-MGPUTAFESA-N 371.477 4.301 0 40 FIAB O=S(=O)(Nc1ccc2sncc2c1)c1cc(Cl)ccc1Cl 222990924 ZUYSRYUWOGKMJF-UHFFFAOYSA-N 359.259 4.404 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2cccc(C)c2C)cc1 223963511 ZIRUYDYOOMRBGW-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB COc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c(C)c1 224290559 AZJDMHWDNNHMPB-UHFFFAOYSA-N 368.368 4.369 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2cc(Cl)ccc2C)cc1 224593497 JHYBKIRYHHKDSH-UHFFFAOYSA-N 353.871 4.262 0 40 FIAB CCCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224929388 PLNGPAGTSANBCN-UHFFFAOYSA-N 366.417 4.166 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)COc2ccccc2)c1 225325678 LJDGNOAHBPIXDK-QZTJIDSGSA-N 355.478 4.469 0 40 FIAB COc1ccc(Cl)cc1NC(=O)N[C@@H](C)Cc1ccc2c(c1)CCO2 225604718 LOULZZGVSXQUHZ-LBPRGKRZSA-N 360.841 4.036 0 40 FIAB CCOc1cc(CNC(=S)Nc2ccccc2Cl)ccc1OC 225770019 UCSBRNHBVNRLCJ-UHFFFAOYSA-N 350.871 4.234 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)NCc1cccc(C(F)(F)F)c1 225792064 SGKBJUVPARAXFM-UHFFFAOYSA-N 363.379 4.279 0 40 FIAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1C(=O)O 248288606 IEYXJQVIWCATHW-VNTMZGSJSA-N 352.430 4.228 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2Cc2cncs2)n1 257327383 XBCTXKPYJHCLLO-QGZVFWFLSA-N 366.494 4.026 0 40 FIAB CCn1c([C@@H](C)NC(=O)[C@H]2CCCCN2C2CCCC2)nc2ccccc21 333531626 YDXCDYLUPQSNRK-OXQOHEQNSA-N 368.525 4.031 0 40 FIAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 408617634 AUFIDISZOXEBBV-CYBMUJFWSA-N 370.474 4.098 0 40 FIAB CCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408748609 BCDZUAMKSGWGND-DPDCMNJDSA-N 370.499 4.110 0 40 FIAB O=C(Nc1nc(O)c2ccccc2n1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 521332899 SLYHYSVDXFLCCA-QZTJIDSGSA-N 355.397 4.231 0 40 FIAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cc(-c2ccccc2)[nH]n1 585149475 WLQWABPJWUEQDU-IBGZPJMESA-N 367.474 4.036 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nccn1CC(C)C 607670465 MPVWFCQCEGXYNK-UHFFFAOYSA-N 372.856 4.086 0 40 FIAB O=C(NCC1(c2ccsc2)CCOCC1)c1cccc2ccccc12 952990280 XRIZQTQHUDUYJJ-UHFFFAOYSA-N 351.471 4.380 0 40 FIAB Cc1cc(CN2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)no1 1888901289 AIQUFOINQHWVEI-CYBMUJFWSA-N 358.442 4.020 0 40 FIAB COc1cc(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc(OC)c1OC 830173 DBKVFIQWCWSIGC-UHFFFAOYSA-N 372.446 4.191 0 40 FIAB COc1cccc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc12 856279 BAVOTNNFJSIWAG-UHFFFAOYSA-N 365.414 4.372 0 40 FIAB CC(C)COC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952267 FLZPXCQILWBAHD-OAHLLOKOSA-N 366.413 4.427 0 40 FIAB biogenic CCCC(=O)Nc1nc(-c2ccc(I)cc2)cs1 1518646 NRWBYOHUXXNCOE-UHFFFAOYSA-N 372.231 4.153 0 40 FIAB Cc1cccc(-c2nsc(SCC(=O)N3CCc4ccccc43)n2)c1 2917493 NPLGJIKYQBDGOE-UHFFFAOYSA-N 367.499 4.195 0 40 FIAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccccc1C(F)(F)F 3326443 QMRXSGHVOHYRPK-UHFFFAOYSA-N 367.295 4.108 0 40 FIAB Cc1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)s1 3487108 QHLRBBPRUVNPAP-UHFFFAOYSA-N 363.533 4.350 0 40 FIAB CCc1cccc(OCCSc2nnc(-c3ccccc3Cl)n2N)c1 3545621 VRSCETMVMMRDFR-UHFFFAOYSA-N 374.897 4.046 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 4406495 HMKRLCKMRZDQAE-INIZCTEOSA-N 353.809 4.367 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1ccccc1 4854227 NJMNAQCFXRJHGX-LJQANCHMSA-N 353.372 4.403 0 40 FIAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccco3)N(C)C)sc2c1 5484068 KSYAOLJFERBQLB-ZDUSSCGKSA-N 362.882 4.489 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)COc2cc(C)ccc2C(C)C)c1 5750580 PKIPDVHWEWDPRU-UHFFFAOYSA-N 355.478 4.309 0 40 FIAB CCOc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1 5873510 DNAAMZXXVLYRPX-UHFFFAOYSA-N 364.239 4.174 0 40 FIAB CCN(Cc1ccccc1)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 6325635 FOZUHRZVYREPSW-XCBYWJNASA-N 371.565 4.493 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(F)cccc2s1 6820706 DOZZPAXLTDKJHH-UHFFFAOYSA-N 356.422 4.129 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1oc2c(F)cccc2c1C 7735483 KDNOWGHCIQBEFK-UHFFFAOYSA-N 356.353 4.100 0 40 FIAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(F)cc1 7763837 GFVLNPUMAVICLQ-UHFFFAOYSA-N 373.478 4.379 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(Br)cc1Cl 7777984 QJGLYZATFUPJLU-UHFFFAOYSA-N 357.635 4.279 0 40 FIAB CCOC(=O)c1c(CN(C)Cc2ccccc2F)nc2ccccc2c1C 7910916 HENNXXVESKGPJY-UHFFFAOYSA-N 366.436 4.491 0 40 FIAB CC(C)n1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccco1 8388961 IJZOJCHAOJEDIZ-AWEZNQCLSA-N 370.478 4.089 0 40 FIAB Cc1cccc(N2CCN(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)CC2)c1C 8394903 BQVUHSNLRMDWRC-INIZCTEOSA-N 373.447 4.174 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccco2)n1CC)C(=O)Nc1ccc(F)cc1 9479299 DHNCPSFNCSNPAD-OAHLLOKOSA-N 374.441 4.207 0 40 FIAB COc1cc([C@@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)ccc1OC(F)F 9913664 DMMNFLOLHQIHIS-NWDGAFQWSA-N 358.344 4.159 0 40 FIAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cnn(Cc2ccccc2)c1 10965479 UKKCSKPJGKGQCM-SFHVURJKSA-N 367.449 4.037 0 40 FIAB Cc1ccc(OCC(=O)NCc2ccccc2Cl)c2c1[C@@H](C)CC2=O 11052340 QGTSSFPYUPEIQT-ZDUSSCGKSA-N 357.837 4.034 0 40 FIAB COCCn1cc(CN(C)Cc2cccc3ncccc23)c2ccccc21 12148197 VUDPTRSVPLJAIE-UHFFFAOYSA-N 359.473 4.468 0 40 FIAB COc1ccc(CNc2nn3cc(-c4ccccc4)nc3s2)cc1OC 12535427 VTBRHGYACZUBKQ-UHFFFAOYSA-N 366.446 4.087 0 40 FIAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 12791047 GPJFWGMKWTYEAZ-MRXNPFEDSA-N 371.308 4.197 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(C)cc2Cl)cc1 12935893 VXOICVAGQCLCHK-IBGZPJMESA-N 358.869 4.433 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3ncsc3c2)cc1OC 12940629 IOTWYHXHPNNJLR-MRXNPFEDSA-N 368.458 4.291 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 12998629 LBAVGNMQFBDOJY-NSHDSACASA-N 367.232 4.077 0 40 FIAB COC(=O)c1ccc(OC)cc1OC(=O)c1ccc(Cl)c(Cl)c1 13137545 LYESRQUKLCDZFT-UHFFFAOYSA-N 355.173 4.008 0 40 FIAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)Nc1cccs1 13608694 PAZFVSGNLFSGIL-UHFFFAOYSA-N 365.462 4.449 0 40 FIAB C1=NC(=[N+]2CCCCC2)S/C1=C\C=C\c1cnc(N2CCCCC2)s1 16383516 BPQVLHRTLHQQJO-UHFFFAOYSA-N 373.571 4.401 0 40 FIAB Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c(C)c1 16994104 IWWOTJFWFLPLNU-UHFFFAOYSA-N 369.446 4.095 0 40 FIAB O=C(Nc1ccc2ccccc2c1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 18193249 MZAHLYSLQKUHHS-FQEVSTJZSA-N 373.412 4.139 0 40 FIAB Cc1cc(NC(=O)COc2ccccc2Cl)ccc1-c1ccc(CO)o1 20144585 QTIIGSKHSAWPBG-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB O=C(NCCc1ccc2c(c1)OCO2)c1sc2ccccc2c1Cl 21637349 WNJMRZNGVSZGBV-UHFFFAOYSA-N 359.834 4.256 0 40 FIAB Cc1sc(Cc2ccccc2)nc1-c1ccc(NS(C)(=O)=O)cc1 25317997 YRBXWXZSOMSYMP-UHFFFAOYSA-N 358.488 4.081 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)c2ccc(F)c(F)c2)c1 26044870 QESAPKVCIYYXEI-UHFFFAOYSA-N 360.385 4.134 0 40 FIAB Cc1ccc2nc(-c3cccs3)cc(C(=O)NC[C@H]3CCCO3)c2c1 27976982 BKETXRHGBZHHMG-CQSZACIVSA-N 352.459 4.181 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 28246358 LATNFXVAJBVDCV-HNNXBMFYSA-N 367.424 4.288 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1C(F)(F)F 30479373 KLKNSWNMYWPLQD-UHFFFAOYSA-N 362.351 4.194 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1OC 30869209 NLIKDLXZCPKLJN-LBPRGKRZSA-N 365.882 4.154 0 40 FIAB COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(Cl)c[nH]4)CC3)c2c1 32336610 YWYSDGVAWXEWPN-UHFFFAOYSA-N 355.825 4.088 0 40 FIAB Cc1ccc2c(C(=O)[C@@H](C)N3CCN(c4ccccc4)CC3)c(C)[nH]c2c1 34688897 FIKFMUQWOJOROL-GOSISDBHSA-N 361.489 4.178 0 40 FIAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1(c2ccc(F)cc2)CCCC1 36710016 VXKXPUJXHLYGTC-NRFANRHFSA-N 366.480 4.028 0 40 FIAB Cc1nc(CSCCC(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)cs1 42398834 VAHCMARQUHJPSE-MLGOLLRUSA-N 364.536 4.450 0 40 FIAB O=C(c1ccc(CN2CCOCC2)cc1)c1cc(Cl)ccc1Cl 43210864 HSPKKNOSEAWLLW-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB O=C(Nc1cccc2ccccc12)NC1CCN(Cc2ccncc2)CC1 47324787 LFJHSDYDQLVMKA-UHFFFAOYSA-N 360.461 4.021 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Br)cc1Cl 48227964 KQZLZSXVHILYCJ-CQSZACIVSA-N 366.642 4.356 0 40 FIAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1 48282200 APDSNDIBTWQTPX-FZKQIMNGSA-N 361.401 4.188 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1c(=O)oc2cc(Cl)ccc21 57446714 HKPKQDCOBXNWFN-UHFFFAOYSA-N 370.758 4.356 0 40 FIAB C[C@H](NC(=O)Cc1cccc(O)c1)c1cccc(NC(=O)c2ccccc2)c1 58114511 GRRLNBUFAHTMJU-INIZCTEOSA-N 374.440 4.064 0 40 FIAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(Cc2c(C)noc2C)c2ccccc21 58232271 BCWSQZSQWOSTTH-DEYYWGMASA-N 355.482 4.089 0 40 FIAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(F)c(F)c1 60776579 AECHFEJIWBHCGQ-UHFFFAOYSA-N 358.369 4.045 0 40 FIAB O=C1NCCCC[C@@H]1Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12 65944746 CZNXWMILSQHCQX-ZDUSSCGKSA-N 372.881 4.092 0 40 FIAB CCCCOc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 67197671 UHQRNZRDYYKRAS-KRWDZBQOSA-N 369.461 4.208 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@@H](c2c(C)nn(C)c2C)S1 71284532 OASXMZIYNNQSDL-MRXNPFEDSA-N 359.499 4.330 0 40 FIAB O=C(c1ccc(NCc2ncc(-c3ccc(F)cc3)o2)cc1)N1CCCC1 74173075 QSPJPPKPVFIMMQ-UHFFFAOYSA-N 365.408 4.329 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 89558841 GSEANQZVBIGMEA-UHFFFAOYSA-N 360.483 4.035 0 40 FIAB Cc1nc(NS(=O)(=O)c2cccc(Cl)c2F)c(Cl)cc1Cl 95457190 UHNLJAUGDIDWAD-UHFFFAOYSA-N 369.632 4.290 0 40 FIAB C[C@H](CNC(=O)c1cc(Br)ccc1Cl)c1nccs1 96014028 MLYPMQUNDZABNM-MRVPVSSYSA-N 359.676 4.093 0 40 FIAB CO[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccsc1 96097411 HKIRPYMGZGYKRS-FQEVSTJZSA-N 351.471 4.462 0 40 FIAB CC[C@@](Cl)([C@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96520679 PBNDRRSGGLQXSZ-MSOLQXFVSA-N 352.883 4.167 0 40 FIAB COc1ccc(CN2CCC[C@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 97230573 GFNULJBVDNEMSE-SFHVURJKSA-N 357.425 4.080 0 40 FIAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211305 KNFXQVLTHFNWPA-UHFFFAOYSA-N 358.401 4.152 0 40 FIAB O=C(NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccc(Cl)cc1 100419676 NVWVDICKUFFJGW-PMACEKPBSA-N 354.881 4.265 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 100620883 GQMANWRTWLKWFJ-DIZUZXFTSA-N 352.478 4.436 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC(C)C 222703008 VBAGEPLOZHVHEE-MRXNPFEDSA-N 373.324 4.425 0 40 FIAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223119292 OHTJFBIZCDWXNW-RBUKOAKNSA-N 354.523 4.208 0 40 FIAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223341224 KBFKPWFQKROWJS-JOCHJYFZSA-N 366.505 4.473 0 40 FIAB COc1ccc(-c2nnsc2C(=O)OCc2ccccc2Cl)cc1 223839162 HSWVXWVYRAZLKU-UHFFFAOYSA-N 360.822 4.224 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccc(C)c(Cl)c1 224164080 VICULBVHRKUZIT-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccccc2OC)cc1OCC 224228526 WTZXJGXIGQZGEG-MRXNPFEDSA-N 371.477 4.303 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NCCSC3CCCC3)cc2)CC1 225050160 JCQUYSQCJQIHSW-UHFFFAOYSA-N 360.567 4.324 0 40 FIAB COc1cc(C)c(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C(C)C 225073262 OQJBFDOODLCTHI-UHFFFAOYSA-N 370.474 4.293 0 40 FIAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1cc2ccccc2s1 225588084 FBMDQCMZFDDAMS-IBGZPJMESA-N 369.467 4.222 0 40 FIAB CCC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674994 FRXDGKFSZKQDRN-CQSZACIVSA-N 352.409 4.233 0 40 FIAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409247240 HANTTXJJUJIRCF-QGOAFFKASA-N 370.474 4.167 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CCc1nc2ccccc2o1 680495545 XRWGJIHUWRHCFA-SFHVURJKSA-N 351.450 4.243 0 40 FIAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@H]1C[C@@]1(F)c1ccccc1 1543692976 VNVXDPRUTWZADO-FOIQADDNSA-N 371.362 4.189 0 40 FIAB C[C@@H]1CN(C(=O)NC[C@@H]2CCCC(C)(C)C2)CCN1Cc1ccccc1 1682044542 VIEWFHLNPMCWOR-UYAOXDASSA-N 357.542 4.119 0 40 FIAB CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc2c1 846016 WRCXJNPCCIZIOQ-UHFFFAOYSA-N 361.401 4.356 0 40 FIAB biogenic COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 882227 RWYPMJGROADASO-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 1045147 GRHRZHDNPNMSMF-UHFFFAOYSA-N 369.671 4.229 0 40 FIAB COc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1 1341725 SDTLJCBXKHIENG-UHFFFAOYSA-N 374.444 4.489 0 40 FIAB Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1C1CC1 1364649 YFCUSMOOIOIHAG-UHFFFAOYSA-N 364.474 4.150 0 40 FIAB O=C(Nc1ccc(-c2ccc(Br)cc2)oc1=O)c1ccccc1 1389088 KKTGRCBIRWEANJ-UHFFFAOYSA-N 370.202 4.322 0 40 FIAB Cc1ccc([C@H](O)[P@@](=O)(OCC(C)C)c2ccc(N(C)C)cc2)cc1 2399258 COQSVVQACJIPSF-NLFFAJNJSA-N 361.422 4.328 0 40 FIAB CCCn1nc(NC(=O)COc2ccccc2)c2cc3cccc(C)c3nc21 2429446 HZSFIKCGHUCREP-UHFFFAOYSA-N 374.444 4.320 0 40 FIAB COc1ccc(C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3228933 VMFFVSLQFKMXRL-BJMVGYQFSA-N 364.319 4.153 0 40 FIAB CCOc1ncccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 3337275 AKZFYLGCNWIOCX-UHFFFAOYSA-N 361.373 4.134 0 40 FIAB O=C(c1cn(CC(=O)N2CCCCC2)c2ccccc12)C1CCCCC1 3655906 BQUQEDBNDUSEGY-UHFFFAOYSA-N 352.478 4.417 0 40 FIAB CCOC(=O)c1sc(Nc2nc3cc4c(cc3s2)OCO4)cc1C 4137827 VNAHEMQVRWXNIJ-UHFFFAOYSA-N 362.432 4.315 0 40 FIAB COc1cccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)c1OC 4679072 YDQOAJXIUPUZRO-UHFFFAOYSA-N 351.450 4.333 0 40 FIAB CC(C)(C)c1ccc([C@]2(O)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 4722679 HGSHGGOQUPEAFA-GOSISDBHSA-N 365.351 4.071 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(C)cc1 4746977 QOVFLDYVECZQAQ-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB O=C(CSc1nccn(-c2ccc(F)c(Cl)c2)c1=O)c1ccccc1 4852967 CWPZTQMFIPNYEZ-UHFFFAOYSA-N 374.824 4.000 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 4994415 LLMSHGKDHRMKFW-GOSISDBHSA-N 371.868 4.097 0 40 FIAB CCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccccc3nc21 5100442 NAUJALMYGBLJRX-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB CCOc1ccc(NC(=O)Nc2cn(CCOC)c3ccccc23)cc1 5266495 STORMUMDCCTYCC-UHFFFAOYSA-N 353.422 4.330 0 40 FIAB Cc1cc(OCc2ccccc2Cl)c2c(C)c(CC(=O)O)c(=O)oc2c1 5547156 OFYACSJKCGPUOV-UHFFFAOYSA-N 372.804 4.269 0 40 FIAB COc1ccccc1[C@@H]1SCC(O)=Nc2c1c(=O)[nH]n2C1CCCCC1 5704394 NZAWURAGUSOGIA-KRWDZBQOSA-N 373.478 4.114 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 6880000 RGEKFAAHNXPMIU-UHFFFAOYSA-N 362.882 4.211 0 40 FIAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6966516 MHOWOSRCVUHCLC-KGENOOAVSA-N 371.440 4.187 0 40 FIAB Cc1cccc(-n2c(C)cc(/C=C(/Sc3nnc(C)[nH]3)C(=O)O)c2C)c1 6967811 XDUNUNUOIZBJBC-LICLKQGHSA-N 368.462 4.047 0 40 FIAB O=C(CCCn1c(=O)oc2ccccc21)Oc1cccc(Cl)c1Cl 7264690 AUMHXNVNRJRKLB-UHFFFAOYSA-N 366.200 4.287 0 40 FIAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCCCCCC1 7274619 NRPJNTNWVFZVSB-UHFFFAOYSA-N 365.886 4.275 0 40 FIAB CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1C1CC1)O[C@H](C)C2 7364306 BGUHBAODHFMWQE-LRTDBIEQSA-N 364.445 4.138 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1C1CC1 7618398 WPRAOQWYCXFXJQ-ZDUSSCGKSA-N 366.490 4.448 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7928280 XHXSIYXVYKRIBD-INIZCTEOSA-N 370.880 4.456 0 40 FIAB COC(=O)c1cccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 7989571 PYJDCQRBFXBWEE-UHFFFAOYSA-N 365.414 4.297 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 8085291 GEPNFSNTEZCQCQ-UHFFFAOYSA-N 370.408 4.302 0 40 FIAB COc1ccc(-c2noc(-c3ccc(C(F)(F)F)cc3)n2)c(OC)c1 8986206 OXBGBPLZHBMFSV-UHFFFAOYSA-N 350.296 4.440 0 40 FIAB COc1cccc2c1N(C(=O)CSc1nccc(C)n1)C(C)(C)C=C2C 9938227 CMLBGDKVLCHQSW-UHFFFAOYSA-N 369.490 4.114 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1(C)C 11146943 JWSITSMPWJZWIJ-PKOBYXMFSA-N 366.461 4.387 0 40 FIAB CCn1c(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)nc2ccccc21 12221307 HLDHCVLVTKLQCN-UHFFFAOYSA-N 374.370 4.267 0 40 FIAB CC1(C)CCCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 12365433 VQJYCMHFHWIVNX-UHFFFAOYSA-N 370.497 4.465 0 40 FIAB Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccc(F)cc2)c1 12588899 BCZCMBHJAIJIAW-UHFFFAOYSA-N 361.376 4.113 0 40 FIAB COc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)ccc1C 12783237 ORAADHSTUYBYIK-UHFFFAOYSA-N 353.462 4.194 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 12793269 FKIFADXSBZKFCI-KRSRXSRCSA-N 367.445 4.089 0 40 FIAB Cc1oc(-c2cccs2)nc1CSc1nc2sccc2c(=O)[nH]1 12878790 ASBUDODNYZDURS-UHFFFAOYSA-N 361.473 4.302 0 40 FIAB O=c1[nH]c(SCc2csc(-c3cccs3)n2)nc2sccc12 12884096 SZYIKMUIYDGTIY-UHFFFAOYSA-N 363.514 4.462 0 40 FIAB O=C(NCc1ccc(F)cc1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13098802 UYHLURWQRSJPQV-MQVJKMGUSA-N 365.539 4.445 0 40 FIAB Cc1ccc(CNCc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 13717691 BDXUJNOROZEELE-UHFFFAOYSA-N 371.444 4.053 0 40 FIAB COc1cccc(-c2nc(C)c(C(=O)N3CCc4ccccc43)s2)c1 13718485 KJJPQRWDBKTVDK-UHFFFAOYSA-N 350.443 4.330 0 40 FIAB COc1cc([C@H]2c3cc(OC)c(OC)cc3C(=O)[C@H](C)[C@@H]2C)ccc1O 14726887 LBJCQKYBKIAWHJ-ZBUHCNDUSA-N 356.418 4.018 0 40 FIAB Cc1cc(C)c(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)c(C)c1 15190379 IKFBKEWPYFIXJT-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB Cc1c(C(=O)Nc2nc3c(s2)CCCC3)oc2c1C(=O)CC(C)(C)C2 16740178 FMPCNOYBNWFVHR-UHFFFAOYSA-N 358.463 4.331 0 40 FIAB O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 18255305 YRNQIYMXCGYGQF-MRXNPFEDSA-N 357.360 4.142 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3cc(OC)cc(OC)c3)cs2)cc1 19198934 DOFHTUJWVLBBCY-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[C@H](C)n2ccnc2)sc1C 19559720 LYVGZHDMILAXNS-BLLLJJGKSA-N 374.535 4.069 0 40 FIAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19577465 ZGEDEYAKWBSJIV-GOSISDBHSA-N 351.498 4.337 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412278 XCHCHWFSJUVKBA-UHFFFAOYSA-N 362.495 4.035 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 20492495 IAUGYJAESYPHNB-RTBURBONSA-N 360.542 4.348 0 40 FIAB COc1ccc(-n2ncc3c2C[C@H](c2ccc(Cl)cc2)CC3=O)cc1 20633066 ZBMPLNKDCUBFJF-AWEZNQCLSA-N 352.821 4.447 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC 22534197 DVVNVMLQLASSEL-ZDUSSCGKSA-N 359.447 4.026 0 40 FIAB COCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 22845685 UWKADZXLLJTUGJ-UHFFFAOYSA-N 356.422 4.129 0 40 FIAB CCc1ccccc1Nc1nc(N)nc(CN(C)[C@H](C)c2cccs2)n1 27554762 REABZQSJYKQDSJ-CYBMUJFWSA-N 368.510 4.014 0 40 FIAB CCOC(=O)C(CNCc1ccccc1)(c1ccccc1)c1ccccc1 31961897 BSIMZGJLVUAINP-UHFFFAOYSA-N 359.469 4.326 0 40 FIAB CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 32722015 KBNSGNXIMLIBDZ-VWLOTQADSA-N 356.491 4.057 0 40 FIAB O=C(c1cc2ccccc2c(=O)[nH]1)N(Cc1c(F)cccc1Cl)C1CC1 32880017 FBWCWWMEOJCUFW-UHFFFAOYSA-N 370.811 4.125 0 40 FIAB Cc1ccc2[nH]c3c(SCC(=O)Nc4cccc(F)c4)ncnc3c2c1 33172528 ZSJBTLBKBVAFCP-UHFFFAOYSA-N 366.421 4.289 0 40 FIAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 36620795 XUVVUNRJBOZLJA-SFHVURJKSA-N 365.882 4.265 0 40 FIAB COc1cccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1 40090800 ZBWCACXKTLUWPR-UHFFFAOYSA-N 364.401 4.452 0 40 FIAB COc1cccc(CNC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c1 40138959 BVUKXODZBYULGW-NRFANRHFSA-N 361.445 4.021 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OC 45387631 IFFPBNZUILRSAR-LLVKDONJSA-N 358.825 4.330 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 47209536 XYQHZKSRVLUTES-OAHLLOKOSA-N 354.450 4.483 0 40 FIAB CN[C@@]1(c2ccccc2Cl)CCC/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 57307470 QHMVVJXZEDDZMN-IZLCOFNUSA-N 370.836 4.500 0 40 FIAB Cc1nc(S)sc1CC(=O)Nc1ccc2nc(C3CC3)sc2c1 64089886 FCUNXSSLUPBGIN-UHFFFAOYSA-N 361.517 4.409 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 64334758 BUOUMEJMTLGMNA-CHWSQXEVSA-N 372.519 4.042 0 40 FIAB COc1c(C)cnc(CNC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)c1C 65304301 OTATYYPRATZORW-GOSISDBHSA-N 367.493 4.319 0 40 FIAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)ccc1NC(=O)c1ccccc1 66198473 FHRCRSWTPBJEAK-UHFFFAOYSA-N 369.490 4.106 0 40 FIAB CCSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 71327641 OUBIGVJFDCVEQG-UHFFFAOYSA-N 350.896 4.466 0 40 FIAB O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccn(-c2ccc(F)cc2)n1 72091323 LAYXVNKKIALDJC-UHFFFAOYSA-N 369.827 4.126 0 40 FIAB CCCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1OCCC 72414169 BXLQTCBZGJKVRI-UHFFFAOYSA-N 367.442 4.204 0 40 FIAB COc1ccccc1OCC(=O)N(CCc1cccs1)Cc1ccco1 77183924 ABLCRPYCUVMRDP-UHFFFAOYSA-N 371.458 4.000 0 40 FIAB CCOC(=O)c1cc2cc(NC(=O)N3CCCSCC3)ccc2s1 78535301 OIMAPNVCIJRRGX-UHFFFAOYSA-N 364.492 4.049 0 40 FIAB O=C(C1CCN([C@@H]2CCc3c(F)ccc(F)c32)CC1)N1CCCCCC1 84358665 DLZMITJDEXLPDH-LJQANCHMSA-N 362.464 4.067 0 40 FIAB CC[C@H]1CN(Cc2scnc2C)[C@H](CC)CN1Cc1scnc1C 92107750 GYDRGYFZGJVZDN-IYBDPMFKSA-N 364.584 4.091 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c(F)c1 95392605 JITQXFQLOCEHKG-SNVBAGLBSA-N 362.455 4.316 0 40 FIAB O=C(O)c1c(Cl)c(F)c(Cl)c(Br)c1Br 96171737 TZNIBGBXRMAZTK-UHFFFAOYSA-N 366.795 4.356 0 40 FIAB O=C(N[C@H](SCc1ccccc1)C(=O)c1cccs1)c1ccco1 96346699 LSWBDDNXODILKT-GOSISDBHSA-N 357.456 4.213 0 40 FIAB COc1ccc(F)cc1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 97001792 DPOSUXWQYBGOHK-UHFFFAOYSA-N 365.408 4.458 0 40 FIAB O=c1[nH]c(-c2c[nH]nc2-c2cccnc2)nc2sc(-c3ccccc3)cc12 102702267 YXZBNHFSNUFFER-UHFFFAOYSA-N 371.425 4.104 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 103716119 AKZLRUVZKDYTLE-QGZVFWFLSA-N 366.461 4.082 0 40 FIAB Cc1ccc(-n2nc(C(=O)N3CCCC[C@H]3c3nccs3)cc2C)cc1 181423833 ZOLPQCASPRQUCW-SFHVURJKSA-N 366.490 4.313 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222854747 GODPVQSGMSFMGU-HZPDHXFCSA-N 361.869 4.308 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222884389 FXONHPIZXKQHII-PMACEKPBSA-N 362.502 4.255 0 40 FIAB Cc1cc(OCC(=O)Nc2nnc(SC(C)C)s2)ccc1Cl 223168353 LGYMQIYDGIWNPI-UHFFFAOYSA-N 357.888 4.018 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(C)cc1C 223310133 GZKLXVMZEOXRRD-LJQANCHMSA-N 353.462 4.273 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 224417062 OJRYORSAKCGCHW-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB CCc1ccccc1NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224844716 LSMZTLYGJKRBIL-UHFFFAOYSA-N 350.418 4.484 0 40 FIAB CCN(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1 224992661 DBEVGGKAWHEHII-UHFFFAOYSA-N 374.912 4.449 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2ccc(F)cc2)c1 225189784 CNEREYSSLQYPAP-INIZCTEOSA-N 359.441 4.220 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)s1 225581126 SPQGBEAQCYRUKG-GFCCVEGCSA-N 371.915 4.408 0 40 FIAB CO[C@@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 239846209 KZFUFLBIAKAMES-KNBKFLTOSA-N 368.477 4.388 0 40 FIAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 244213766 VVTOCDXSUQNBCF-UHFFFAOYSA-N 374.912 4.199 0 40 FIAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Oc5ncccn5)cc4)OCC[C@@]3(C2)[C@@H]1O 257319079 VQPOWMLDWXRUNL-HPKPQTJESA-N 366.461 4.144 0 40 FIAB COCCNC(=S)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408571520 BNCHFYSSGBXZFV-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB CCn1cc(NC(=O)N[C@H](CC2CCCC2)c2ccccc2)ccc1=O 502878720 URMBSIQAHDTVKT-LJQANCHMSA-N 353.466 4.311 0 40 FIAB Cc1cc(C)cc([C@@H](C)NC(=O)N[C@H](CO)c2cccc(Cl)c2F)c1 541918905 OJWBIQZUYMBWJC-CXAGYDPISA-N 364.848 4.190 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)/C=C/c2ccsc2)c2cccs2)n1 575609429 BQDNZWGZANOLIJ-JFDDCEBESA-N 357.504 4.042 0 40 FIAB COc1ccn2c(C(=O)N[C@@H](C)c3cc4ccccc4s3)cnc2c1 1128141471 NKHREFGTHKZGCR-LBPRGKRZSA-N 351.431 4.049 0 40 FIAB Cn1nccc1-c1ccc(CCNC(=O)c2ccccc2C(F)(F)F)cc1 1889260058 SSGQYLKHNXWBRT-UHFFFAOYSA-N 373.378 4.078 0 40 FIAB COC(=O)c1c(C(=O)OC)c(C2CCCCC2)n(C)c1-c1ccccc1 970145 HUDJIKWRRPWXKX-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CCCC2)cc1 1370094 DPMWZHKEDNJDDD-RTBURBONSA-N 361.530 4.440 0 40 FIAB Cc1ccc(C)c(N[C@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1 1452699 ONISXQLESAQDDB-CQSZACIVSA-N 361.656 4.435 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)OCCOc2cc3c(cc2Cl)OCO3)C1(C)C 1664941 YRGBXDMEYIOTGS-YVEFUNNKSA-N 366.841 4.229 0 40 FIAB O=C(CSc1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1 2618508 UJDIPRKSSAIILK-UHFFFAOYSA-N 360.822 4.226 0 40 FIAB CCc1cc2c(SCC(=O)Nc3cc(C)ccc3OC)ncnc2s1 2622908 HMPWRHUUJGFJEH-UHFFFAOYSA-N 373.503 4.302 0 40 FIAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 2735969 BUCHHVOLSDDWQM-LJQANCHMSA-N 356.897 4.211 0 40 FIAB Cc1ccc(NC(=O)NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 3382411 BJSOZBUIQSYXDB-UHFFFAOYSA-N 367.232 4.337 0 40 FIAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 3403042 FJUZLCFPBGXNHB-UHFFFAOYSA-N 370.758 4.117 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)Cc2coc3cc(OC)ccc23)cc1 3556255 PWSZLUWIKFBXKQ-UHFFFAOYSA-N 367.401 4.189 0 40 FIAB CCCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 4216075 FQIDNDJZJCPLKO-UHFFFAOYSA-N 371.550 4.174 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1 4901995 HPGNNRDZAMITHG-UHFFFAOYSA-N 365.260 4.011 0 40 FIAB O=C(c1ccccc1)c1cn(Cc2ccccc2F)c2ccccc2c1=O 4936892 HVRPGRRZLKCFCM-UHFFFAOYSA-N 357.384 4.420 0 40 FIAB CC(C)c1ccc(C(=O)C[C@H](NCc2ccc(Cl)cc2)C(=O)O)cc1 5285193 JCWSLLQGCKECQX-SFHVURJKSA-N 359.853 4.279 0 40 FIAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1 5323497 JBQVBZUCNUUUGH-UHFFFAOYSA-N 369.852 4.249 0 40 FIAB COc1ccc([C@H](CC(=O)NCc2ccco2)c2ccc(F)cc2)cc1 5478219 IMOXEHIRTOOPRW-HXUWFJFHSA-N 353.393 4.266 0 40 FIAB C[C@@H]1CCc2sc3nc(NCCc4ccccc4)n4ncnc4c3c2C1 5499521 DIFGRIRVRCMXLM-CYBMUJFWSA-N 363.490 4.118 0 40 FIAB CC(=O)[C@H]1C[C@@H](CC(=O)NC(=S)Nc2c(C)cc(C)cc2C)C1(C)C 5739629 QVBNSYIGXTYOSR-JKSUJKDBSA-N 360.523 4.066 0 40 FIAB CCN1C/C(=C\c2ccc(OC)cc2)c2nc3ccccc3c(C(=O)O)c2C1 6429621 YHLGVKXJKWHQPU-FOWTUZBSSA-N 374.440 4.318 0 40 FIAB CCc1cccc(C)c1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 6543991 ZUPDILBVMXASLZ-UHFFFAOYSA-N 372.774 4.030 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C)c1 6544177 PFQCGILKDOFNCX-UHFFFAOYSA-N 367.474 4.316 0 40 FIAB CN1C[C@@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1=O 6664628 LKEUKUWCGMQLEC-LBPRGKRZSA-N 374.271 4.337 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 6828307 DKBPJOYMXRNOLI-UHFFFAOYSA-N 372.490 4.155 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCC(F)(F)F)cccc2c1=O 6969058 DUABHSCBWABMTP-UHFFFAOYSA-N 361.319 4.061 0 40 FIAB Cc1ccccc1NC(=O)COc1ccc(C(=S)N2CCCCC2)cc1 8571340 MNOFKRDIUAORLN-UHFFFAOYSA-N 368.502 4.174 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCc2n[nH]c(-c3ccc(Cl)cc3)c2C1 8738037 QBRDXNCIHGCUKU-IZZDOVSWSA-N 363.848 4.328 0 40 FIAB Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3ccccc3)s2)c1 8738853 ZRTVOBYFXHETOJ-UHFFFAOYSA-N 354.435 4.378 0 40 FIAB c1ccc(-n2nc(SCc3nnc(-c4ccco4)o3)nc2C2CC2)cc1 9255940 ZAXZIPSSMIOMAR-UHFFFAOYSA-N 365.418 4.080 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 9317431 UDVFFZAQKAYDII-HNNXBMFYSA-N 372.428 4.327 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1ncc(Cc2ccccc2Cl)s1 9514960 BTAXNVJTRYFDAD-UHFFFAOYSA-N 361.854 4.173 0 40 FIAB Cc1ccc(NC(=O)N2CCN(c3nsc4ccccc34)CC2)cc1C 9875095 AOGONVPCKVDJMO-UHFFFAOYSA-N 366.490 4.267 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)NCc1ccccc1OC(F)F 10115314 JTABLMXPPDFZNP-MDZDMXLPSA-N 369.314 4.219 0 40 FIAB CC(=O)Nc1scc(-c2cccs2)c1C(=O)O[C@@H]1CCCCC1=O 10152555 UDILFRMYYDKJRE-CYBMUJFWSA-N 363.460 4.104 0 40 FIAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(C(C)(C)C)cc1 10900647 VADXVAVYURXZFF-UHFFFAOYSA-N 366.505 4.093 0 40 FIAB O=C1NCCCC[C@H]1Sc1ncnc2scc(-c3ccc(F)cc3)c12 11124234 BWZCTDQGANLWFF-CQSZACIVSA-N 373.478 4.258 0 40 FIAB O=C(Nc1cccc(NC(=O)c2cc(O)nc3ccccc23)c1)c1ccco1 11178241 XXJLBJQKDHSZAA-UHFFFAOYSA-N 373.368 4.038 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3ccc(F)c(F)c3)ccc21 11612972 FVWITCCWTLOLQR-UHFFFAOYSA-N 358.432 4.100 0 40 FIAB COc1cccc2ccc(-c3nn4c(-c5cccs5)nnc4s3)nc12 12322764 RAXXKXBHGLRQMH-UHFFFAOYSA-N 365.443 4.138 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)NCc3cccs3)nc2c1 12546844 WOGKFNYURGMAOA-UHFFFAOYSA-N 358.488 4.022 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N(CCc1ccccc1)Cc1ccccc1 12765395 LIADVPPHQKUCRF-UHFFFAOYSA-N 359.425 4.300 0 40 FIAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCCC1=CCCCC1 12878236 KGIIKRWDKGVPBM-INIZCTEOSA-N 364.898 4.150 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 13006379 SLRHLBCMTIMPJR-UHFFFAOYSA-N 372.852 4.002 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1Cl 13014695 CXLQBHSBRIRYMM-HNNXBMFYSA-N 362.882 4.343 0 40 FIAB COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cccc(O)c3)C[C@@H]21 13036462 HXNLCIWLBFJBPL-SIKLNZKXSA-N 373.412 4.038 0 40 FIAB COc1ccc(NCc2cc3cc(C(C)(C)C)ccc3[nH]c2=O)c(OC)c1 13561363 RPANVYZEQHNEGY-UHFFFAOYSA-N 366.461 4.455 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1F 15883247 VWLMNAYBGUWPAH-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB O=C(Cn1nc2n(c1=S)CCCCC2)Nc1ccc(Cl)c(Cl)c1 16776899 KIWMLQQJGALULZ-UHFFFAOYSA-N 371.293 4.086 0 40 FIAB Cc1nn(C)c2nc(C3CCN(Cc4ccnc5ccccc45)CC3)ccc12 19744602 JXIYKUVJIBXGQS-UHFFFAOYSA-N 371.488 4.205 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc(C)c1 20486593 XMAMERNPPSBFFW-HXUWFJFHSA-N 355.478 4.300 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1Cl)SCC(O)=N2 20733499 FDJYTZLVGYFNSY-OAHLLOKOSA-N 371.853 4.048 0 40 FIAB CCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1nc2ccccc2s1 23042125 SEGNQGRXZDNBIP-UHFFFAOYSA-N 365.458 4.090 0 40 FIAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23157497 CVLQERGHEUVADM-MKBNYLNASA-N 374.485 4.011 0 40 FIAB COC(=O)C1(NC(=O)c2oc3ccc(Cl)cc3c2C)CCCCCC1 29208023 NYNKZKNDEILZHS-UHFFFAOYSA-N 363.841 4.390 0 40 FIAB C[C@H](CN1CCOCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 31649079 BNHRDNXAMJPELQ-OXQOHEQNSA-N 351.918 4.076 0 40 FIAB Cc1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1C 32578676 BMZHYJXSQGEHRY-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1cccc(C(F)(F)F)c1 32691391 TUOKKBWHIRBUMX-INIZCTEOSA-N 365.351 4.093 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccsc1 32795709 XAXXAFZXKIQVBP-LBPRGKRZSA-N 355.912 4.218 0 40 FIAB CC(C)c1c(C(=O)NCC2(c3ccccc3)CCC2)cnn1-c1ccccn1 32914393 IPRLMSCRRWYVHU-UHFFFAOYSA-N 374.488 4.242 0 40 FIAB CC(C)CN(C(=O)c1cccc(F)c1)c1nnc(-c2cccnc2)s1 35312997 IRUJWWNSFKFVBC-UHFFFAOYSA-N 356.426 4.042 0 40 FIAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 49509812 NJIXDBAHMVUGQL-CSKARUKUSA-N 366.848 4.291 0 40 FIAB C[C@H]1CCN(C(=O)CNC(C)(C)c2ccccc2)c2ccccc2S1 58311068 LLRMOHZTSHWILG-INIZCTEOSA-N 354.519 4.429 0 40 FIAB O=C1CN(Cc2ccc(-c3ccccc3)cc2)[C@@H](c2ccc(F)cc2F)N1 58378082 KKGUFBBVNFHBBQ-QFIPXVFZSA-N 364.395 4.262 0 40 FIAB Cc1nc(C2(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CCCCC2)no1 58403064 BKHGGOMKNYNYGT-LSDHHAIUSA-N 359.857 4.111 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2n[nH]c3ccccc23)cc1 58420867 JKNPAYUDJWDCAM-OAQYLSRUSA-N 363.461 4.258 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCc3ccc(Cl)cc32)c1)c1ccco1 58724009 YKBHZORRGRRKQT-UHFFFAOYSA-N 366.804 4.388 0 40 FIAB CC(C)Sc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 59005691 SCTKOBFHSWXRJR-UHFFFAOYSA-N 369.534 4.191 0 40 FIAB CCOc1ccccc1-n1nnnc1S[C@@H](C)c1ccc(F)cc1F 59927799 VHASXGBCYGZWSY-NSHDSACASA-N 362.405 4.193 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1cnc(C(C)(C)C)nc1 65533822 QTMFVOQDLJFMGX-OAHLLOKOSA-N 353.466 4.231 0 40 FIAB COC(=O)c1cccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760838 BPOQVTJFYRDTNZ-UHFFFAOYSA-N 370.352 4.181 0 40 FIAB NNc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 72229770 GMLPWVJIRIRWTB-UHFFFAOYSA-N 353.234 4.141 0 40 FIAB Cc1cccc(OCCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 72369850 MTUBUNAUKMRPKD-LJQANCHMSA-N 363.461 4.303 0 40 FIAB Cc1nc(-c2ccc(OCc3cc(Cl)c4c(c3)OCCCO4)cc2)no1 84281507 CGLWLOSKYFEUIB-UHFFFAOYSA-N 372.808 4.439 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@@H](c2ccc3c(c2)OCO3)S1 85411981 PFHJTRFTPKVTLI-QGZVFWFLSA-N 371.462 4.296 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1cc(OCc2ccccc2)no1 90726442 SEHMGLCLMUQVEJ-UHFFFAOYSA-N 351.387 4.116 0 40 FIAB CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C)nn32)cc1 102699208 SYSQCMWMNZHCSR-SFHVURJKSA-N 352.438 4.293 0 40 FIAB COc1cc(F)c(NC(=O)c2ccc(-c3ccc(F)cc3)n2C)cc1OC 107164757 KHQINQUHWPINDE-UHFFFAOYSA-N 372.371 4.240 0 40 FIAB Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@H](C)NC5=O)n2)cn1 208241562 CMWRPDHVGMHLSZ-LBPRGKRZSA-N 374.469 4.364 0 40 FIAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1ccccc1Br 214964957 HNCDRUSEQMISHP-MDWZMJQESA-N 364.220 4.279 0 40 FIAB COc1ccc(C)cc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224934299 PHHFONFAACVRBP-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Sc3ccccc3)ccc21 225076327 GGWDQAUXZHIJJG-GFCCVEGCSA-N 358.488 4.202 0 40 FIAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)cn1 225512936 SEQADAMAGNNEBE-FQEVSTJZSA-N 363.486 4.475 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCCC1 225626411 LJEHZVYUKCEAJX-UHFFFAOYSA-N 374.525 4.085 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225799875 DNIKAVDGFKRYCY-HXUWFJFHSA-N 365.470 4.184 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)c(C)c1 225828096 BSFVBPJZMUGECV-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c2)cs1 226092834 SDUSLHJCNBJLFI-UHFFFAOYSA-N 369.446 4.121 0 40 FIAB COc1ccc(Cc2cnc([C@@H]3CCCN3Cc3scnc3C)o2)cc1 257242026 IASNJNSJVBNJON-SFHVURJKSA-N 369.490 4.376 0 40 FIAB CCc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1 260732954 DHKFBCJYMYHNDV-MRXNPFEDSA-N 353.535 4.377 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)NC[C@H](c1ccsc1)c1ccco1 675007869 XKOLGMWBHYMIQP-XLNAKTSKSA-N 359.472 4.063 0 40 FIAB C[C@H]1CN(C(=O)Nc2ccccc2OCCc2ccccc2)CC[C@@H](C)O1 1616044481 SHKSNJSPTJCCAQ-MSOLQXFVSA-N 368.477 4.339 0 40 FIAB O=C(Nc1nc(Cc2ccccc2)cs1)N1CCc2cc(F)ccc21 1623279929 DQJUXTBOBLRYFS-UHFFFAOYSA-N 353.422 4.468 0 40 FIAB CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@@H](c2ccccc2F)NC(=O)N1 867199 CQOSVWAWJYQYEU-QGZVFWFLSA-N 373.815 4.054 0 40 FIAB COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccccc1Cl 943462 YQYAXQLDTKHZPA-RJECPTDASA-N 359.765 4.215 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2cccc(C)c2C)c1C 2624940 VMPVZLWOYATJOW-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB Cc1ccc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 2640665 YPTZEWXKMIUKEY-UHFFFAOYSA-N 350.418 4.109 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc2ccccc2n1 3313262 KRARYRIFAWJDSW-UHFFFAOYSA-N 362.429 4.155 0 40 FIAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1 3335507 QJJDLTKMISOREH-UHFFFAOYSA-N 370.836 4.326 0 40 FIAB O=C(CSc1nncs1)Nc1ccccc1Sc1ccccc1 3413508 PGACQLJUOYRLGA-UHFFFAOYSA-N 359.501 4.420 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)c1nc(-c2ccccc2)oc1C 3548938 OHSUUXSKPJCJKW-UHFFFAOYSA-N 365.385 4.218 0 40 FIAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1OC 3885006 ITWSNYABEWGWGX-SDNWHVSQSA-N 361.397 4.437 0 40 FIAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1 4167254 CWAFYJPQLYEOKE-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB O=C1CCCC(=O)C12Cc1ccccc1N1CC[C@@H](Cc3ccccc3)C[C@H]12 5274395 SKQROZXXHGGJHD-UGKGYDQZSA-N 373.496 4.379 0 40 FIAB CC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2)c1ccccc1 5476436 GCHOCMSEFSOWOD-OCCSQVGLSA-N 356.491 4.104 0 40 FIAB CC(C)OC(=O)CCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 5481858 YRSJFCWZAFEDJC-UHFFFAOYSA-N 371.277 4.395 0 40 FIAB COc1cc(OC)c(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl 7653886 PHKPLLGMDPKCNN-OLZOCXBDSA-N 362.857 4.035 0 40 FIAB O=C(NC[C@H]1CCCO1)c1ccccc1Nc1cccc(C(F)(F)F)c1 7985817 JTPYAGFABSZWII-OAHLLOKOSA-N 364.367 4.358 0 40 FIAB Cc1ccsc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156140 FVXLWGYSWPKJQC-FYCOFBDGSA-N 355.459 4.205 0 40 FIAB Cc1cc(OCc2ccc(C(=O)NCc3ccccn3)o2)ccc1Cl 8323434 XCCBINXRPBVSND-UHFFFAOYSA-N 356.809 4.145 0 40 FIAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc(F)cc1 8429352 GPYMRNVMNPRDHN-UHFFFAOYSA-N 355.394 4.297 0 40 FIAB Cc1cccc(-c2nnc(SCc3cc(F)cc4c3OCOC4)n2C)c1 8987855 CUOLKSAKRJLWFU-UHFFFAOYSA-N 371.437 4.088 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1 9449347 KNRFGYHRHHUJKL-UHFFFAOYSA-N 352.221 4.002 0 40 FIAB C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCO2 10960283 OQNPIZILDXWVAJ-LBPRGKRZSA-N 353.349 4.305 0 40 FIAB C[C@H](NC(=O)Nc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 11005606 HSLCKIKQDSIDMQ-AWEZNQCLSA-N 368.458 4.126 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1C 11694362 JDKJPGNVZXEKRZ-UHFFFAOYSA-N 353.397 4.279 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 11915705 GGTAMEFBRPDRHJ-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB COc1ccc2cnc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc2c1C 12187891 NHMDZRHRKIPPDY-SFHVURJKSA-N 352.478 4.448 0 40 FIAB O=C(Nc1cccc(-c2csnn2)c1)c1cc2ccccc2c(=O)s1 12202107 SMNNLXCJEZESMJ-UHFFFAOYSA-N 365.439 4.032 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@@H](NC(C)=O)C3CCCC3)n2)cc1 12622866 UPCFWMGNAYMXMS-SFHVURJKSA-N 371.506 4.006 0 40 FIAB Clc1ccccc1-c1nc(COc2ccc(-c3nnco3)cc2)no1 12768333 RUHSUEXNGSHYSF-UHFFFAOYSA-N 354.753 4.019 0 40 FIAB COCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)cc1C 12815823 IENBVVUSJIGKNH-UHFFFAOYSA-N 374.531 4.419 0 40 FIAB O=C(Nc1ccccc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 12855136 ZUCGWBRSBZLETR-UHFFFAOYSA-N 354.413 4.246 0 40 FIAB c1ccc(-c2csc(SCc3nnnn3-c3ccccc3)n2)cc1 12881129 PSCRKKMMFBHTSQ-UHFFFAOYSA-N 351.460 4.078 0 40 FIAB Cc1noc(C)c1C(=O)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 12971785 FYRVOYLUCJMJIR-IBGZPJMESA-N 352.459 4.361 0 40 FIAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 12979061 KOPQKQQCERLYQV-LLVKDONJSA-N 366.244 4.185 0 40 FIAB COc1ccc(C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 14267894 DCWMPEMMVMNUEX-UHFFFAOYSA-N 354.381 4.369 0 40 FIAB COCCCNC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 16242811 WAZWPCMJVHSGPY-UHFFFAOYSA-N 357.504 4.286 0 40 FIAB C(=C/N(Cc1ccccc1)c1ccccc1)\c1nnnn1-c1ccccc1 16479426 UOFQERBPOVETOC-WUKNDPDISA-N 353.429 4.340 0 40 FIAB CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CC(C)(C)C 19017555 PQRKJSMQFLXLNU-KCZVDYSFSA-N 370.537 4.208 0 40 FIAB Cc1cc(C)c2c(C3CCN(C(=O)C4CCC4)CC3)nn(CC(C)C)c2n1 19118885 MGFFITXYDGKRMC-UHFFFAOYSA-N 368.525 4.210 0 40 FIAB O=C(Nc1ccccc1CN1CCCC1)[C@@H](c1ccccc1)N1CCCC1 19659575 HYIAZDOMVJLPAF-JOCHJYFZSA-N 363.505 4.058 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)cc1 19716858 QGASYJMXCGTPHQ-SFHVURJKSA-N 369.852 4.364 0 40 FIAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)c(C)c1 19933564 KWUFWYCMXNXFKP-CYBMUJFWSA-N 355.862 4.277 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(OC)c1 20452777 YRLPDTPICVRUGY-MRXNPFEDSA-N 368.477 4.188 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)cc1 21168710 QFOUZOJCTPHIKZ-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB COc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 21595979 BAEFEIBHZJVFNA-UHFFFAOYSA-N 364.239 4.254 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)C[C@H](NC(C)=O)c1cccs1 22278948 BASVCZACSLHEBW-QAPCUYQASA-N 358.507 4.143 0 40 FIAB COc1ccccc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 22560675 IWCMSOBGJUJLSZ-UHFFFAOYSA-N 352.438 4.397 0 40 FIAB CSc1nc(-c2ccco2)nc(C)c1C(=O)OCc1ccccc1F 22977954 NATLVBIBBFPEOW-UHFFFAOYSA-N 358.394 4.263 0 40 FIAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc(Br)cn1 28224162 XHGYMRQCEBHHDA-SSDOTTSWSA-N 363.042 4.152 0 40 FIAB Cc1noc2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc12 30877282 XEPITXLPQJJJOO-UHFFFAOYSA-N 355.703 4.456 0 40 FIAB CCN(CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2ccc(OC)cc2)[C@@H]1C)OCO3 31861128 WWDZZJZRKOMCFQ-GAQQMNMRSA-N 369.461 4.252 0 40 FIAB Cc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)nc1 32721963 RNTJATBZIVMJSQ-UHFFFAOYSA-N 352.415 4.142 0 40 FIAB CC(C)CO[C@H](C)C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 32935254 TWPBTMMYXFQHHS-GFCCVEGCSA-N 361.442 4.202 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@H](C)c1cccc(F)c1 40130417 BSINLAFHHQHXIL-CYBMUJFWSA-N 369.415 4.187 0 40 FIAB COC(=O)c1c(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)sc(C)c1C 40140504 GTENEBYLYCHYGI-GHMZBOCLSA-N 363.401 4.459 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3cccs3)CC2=O)c1C 40160160 AUNBEXVESMIBOX-SJLPKXTDSA-N 368.502 4.082 0 40 FIAB O=C(Nc1cccc2cccnc12)NC1CCN(Cc2ccccc2)CC1 43529690 IZSPZHIIWICXTK-UHFFFAOYSA-N 360.461 4.021 0 40 FIAB CC(=O)Nc1ccc(NC(=S)N2CCCCC[C@H]2c2ccncc2)cc1 44082746 VSCIPYNSULSJRG-IBGZPJMESA-N 368.506 4.354 0 40 FIAB O=C(CN[C@@H](c1ccccc1)c1cccs1)NCc1ccc(Cl)cc1 57270732 QLKJBJFEAURKDS-FQEVSTJZSA-N 370.905 4.397 0 40 FIAB CC(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 68713205 YYIWYOHKDFGAQH-XMMPIXPASA-N 373.452 4.303 0 40 FIAB CCCc1cc(-c2nc(C)c(C(=O)Nc3ccc(OC)nc3)s2)ccn1 71283282 XNAWZCCEVBTOTD-UHFFFAOYSA-N 368.462 4.122 0 40 FIAB CCOc1ccccc1OCCCC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 75148405 OXTLFMDCSDUPIK-INIZCTEOSA-N 361.404 4.338 0 40 FIAB Cn1c(CNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)nc2ccccc21 84284560 IDAFZXNMBOUJFM-UHFFFAOYSA-N 360.461 4.282 0 40 FIAB CC1(C)COC(C(C)(C)COC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)OC1 84673683 BZCDXSVZBWMGPZ-HIFRSBDPSA-N 368.420 4.037 0 40 FIAB CCn1c(NCc2cnn(C(C)C)c2)nc2cc(Br)ccc21 95943692 AOPUHYSMKJHJDC-UHFFFAOYSA-N 362.275 4.208 0 40 FIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 100725052 LKEHHQUMGGWURZ-BGJURXJTSA-N 371.436 4.345 0 40 FIAB COc1ccc(-c2noc(CNc3cccc(C)c3Cl)n2)c(OC)c1 174314361 HQRRMPXKMOBQLW-UHFFFAOYSA-N 359.813 4.328 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCc1ccc([C@H](O)c2ccco2)s1 206684433 VCSARZQCCPYRSK-QPGLYAHGSA-N 373.861 4.406 0 40 FIAB CCCSc1nnc(NC(=O)CSCc2ccc(F)cc2)s1 223849773 STCIXWVRUKOMTC-UHFFFAOYSA-N 357.501 4.051 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 224425891 QFRYABQOUQYROX-LJQANCHMSA-N 355.478 4.191 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)Nc1nnc(-c2ccccc2)s1 224860178 IJIRMYNWBPURRF-UHFFFAOYSA-N 365.458 4.101 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225111998 PBAZGMUXMGFGBH-QGZVFWFLSA-N 370.474 4.187 0 40 FIAB COc1ccc(C2(C(=O)Nc3cc(C)c(OC)c(C)c3)CCOCC2)cc1 225585079 KTCXFKGPXYYIIQ-UHFFFAOYSA-N 369.461 4.008 0 40 FIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@H](C)c2ccc(F)cc2)n1 225916796 GWCUDDJWVXAPGS-OAHLLOKOSA-N 364.424 4.467 0 40 FIAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 408810028 OTZRONYDQDDJFS-UHFFFAOYSA-N 373.841 4.140 0 40 FIAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(C)c1-c1ccccc1 409205562 CZPGLJXXUYGCPC-MRCUWXFGSA-N 352.459 4.066 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2cnc(O)c3ccccc23)c2ccc(F)cc2O1 526053667 BGQDOHSNSDDOMX-QGZVFWFLSA-N 366.392 4.112 0 40 FIAB COc1cc(C(C)=O)ccc1SCCCn1c(O)nc2ccccc21 532755913 GTJXPSSHHQYYOL-UHFFFAOYSA-N 356.447 4.136 0 40 FIAB Cc1nc([C@H]2CCCN(Cc3cc(C(=O)O)sc3C)C2)sc1C 580719835 QZUUUCKRBFAHNR-ZDUSSCGKSA-N 350.509 4.208 0 40 FIAB O=C(Nc1ccc(Nc2ccccc2)nc1)C1(C(F)(F)F)CCOCC1 667751599 CATRMIHWKSQZAZ-UHFFFAOYSA-N 365.355 4.123 0 40 FIAB c1ccc(-c2nnc(CCc3nc(-c4cccc5ncccc45)no3)o2)cc1 671155788 OPQCWEOVJXPMGY-UHFFFAOYSA-N 369.384 4.120 0 40 FIAB O=C(CSC1CCCC1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976739 DWTCDISZDIOHRS-KRWDZBQOSA-N 361.532 4.241 0 40 FIAB O=C(Nc1cccc(Cl)c1)OCc1cn(-c2ccc(Cl)cc2)nn1 1387972 BNXHCCKBVDZANS-UHFFFAOYSA-N 363.204 4.323 0 40 FIAB aggregator Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1ccc(F)cc1 1961508 KNHJNBHKYUFMOD-UHFFFAOYSA-N 366.845 4.098 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc(F)cc1F 2622196 CFUKNVPLZQHNEY-KXBFYZLASA-N 357.404 4.113 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 2633645 IYOYNNAIFXGJBK-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c1 3283319 NFQVNJRDMWTDNK-UHFFFAOYSA-N 367.261 4.075 0 40 FIAB Cc1csc(SCC(=O)NCCc2ccc(Cl)cc2Cl)n1 3413652 VGLWNDXNUSFQAD-UHFFFAOYSA-N 361.319 4.209 0 40 FIAB CC(=O)c1sc(NC(=O)c2ccccc2Cc2ccccc2)nc1C 3438679 JXIQNVSTQWXWHC-UHFFFAOYSA-N 350.443 4.497 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)cc1 3893215 HFYJYNQUSQFHNA-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB CCc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)cc1 4264221 ZLKLJIPSAHOWBA-HXUWFJFHSA-N 364.445 4.182 0 40 FIAB O=C(NC(=S)N1CCCc2ccccc21)C12CC3CC(CC(C3)C1)C2 4708903 UKAURXMVZIUJRH-UHFFFAOYSA-N 354.519 4.057 0 40 FIAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4816521 POFJLWVSMWIQDD-UXHICEINSA-N 358.445 4.064 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H]([C@@H]3CCCC=C3N3CCCCC3)C2=O)cc1 5015856 PHLHBPIOWMXUBQ-OALUTQOASA-N 352.478 4.044 0 40 FIAB O=C(Cn1nnc(-c2cccc(F)c2)n1)c1ccc(C2CCCCC2)cc1 5088832 OSGRVQWSXZDFMQ-UHFFFAOYSA-N 364.424 4.410 0 40 FIAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1ccccc1 5147282 SKFUMUJGZHZROG-UHFFFAOYSA-N 365.433 4.061 0 40 FIAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(F)cc1Cl 5843180 MQZZFTMQZMIOOY-UHFFFAOYSA-N 373.767 4.133 0 40 FIAB Cc1nc2ccccc2n1CC(=O)N[C@@H](c1ccccc1)c1cccs1 7220863 STTKMXQQPWKESA-NRFANRHFSA-N 361.470 4.312 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3Br)o2)c(C)c1 7510307 DGQDGDPRBNYGOH-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)Cc2csc(-c3ccsc3)n2)c1 7808290 RTWFLHWAYAJQBF-UHFFFAOYSA-N 372.471 4.148 0 40 FIAB Cc1cccc2nc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)cn12 7942567 VHCSFEREVZLWAG-VAWYXSNFSA-N 354.413 4.460 0 40 FIAB Cc1ccc(-c2csc3ncnc(Sc4nnnn4C4CC4)c23)cc1 8075555 WVBZSBLWJVPQAW-UHFFFAOYSA-N 366.475 4.139 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(N2CCCCC2=O)cc1 8114621 ZYHBPNFTGCXSHX-UHFFFAOYSA-N 360.360 4.057 0 40 FIAB CCC(=O)c1ccc(OCC(=O)OCc2ncc(-c3ccccc3)o2)cc1 8191483 ZEQINSMJXRFEPL-UHFFFAOYSA-N 365.385 4.057 0 40 FIAB Cc1cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c(C)o1 8326028 JHRFFNCXVGHNAH-UHFFFAOYSA-N 367.474 4.164 0 40 FIAB CC(C)c1ccc(CN(C(=O)c2cccc(NC(N)=O)c2)C2CC2)cc1 8357516 CKDUSPGKYXKAMW-UHFFFAOYSA-N 351.450 4.105 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)c1C 9455180 VPIIPYPTMMZBHL-LLVKDONJSA-N 374.491 4.044 0 40 FIAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccnc3)ccc2o1 9660042 KUKIJTVJEYTVBY-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB biogenic CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 12137517 JOCDGTGNIBEJHU-HXUWFJFHSA-N 366.461 4.027 0 40 FIAB COC(=O)c1c(Cl)c(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1 12396213 HJPXIWRVMPDVIL-UHFFFAOYSA-N 359.788 4.185 0 40 FIAB CCC(CC)C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1C 12441212 LHHLRVBBWBMFLV-UHFFFAOYSA-N 352.438 4.088 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(-n4cccc4)cc3)o2)cs1 12537309 KOMSQWJKZCBVHB-UHFFFAOYSA-N 363.442 4.432 0 40 FIAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 12553669 JWUCEXOWEZSEND-GFCCVEGCSA-N 368.355 4.341 0 40 FIAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(-n2ccnc2)cc1 12601262 ILRPXZQWIUIBDL-MRXNPFEDSA-N 358.445 4.164 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 12797697 LBJAAEIXKYANBX-UHFFFAOYSA-N 372.538 4.400 0 40 FIAB CSc1nnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)s1 12815366 ZNVDVZULOFHNCR-CYBMUJFWSA-N 365.549 4.106 0 40 FIAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc2c(c1)CCCC2 12819057 OCKAXFGADLQHSP-UHFFFAOYSA-N 353.462 4.245 0 40 FIAB COc1cccc(-c2nc(C(=O)Nc3ccccc3F)cs2)c1OC 12824124 SVUFJNZCLKBFKI-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB O=C(c1cccs1)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 13140207 WYSKVKOLVZYRPG-POAQFYNOSA-N 359.466 4.396 0 40 FIAB CCCc1cc(-c2nc(C)c(C(=O)NCc3cccs3)s2)ccn1 13726816 BOYAGLUBHHITFL-UHFFFAOYSA-N 357.504 4.458 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 14141536 HNYCAMVWNLTRLN-GFCCVEGCSA-N 360.335 4.159 0 40 FIAB Cc1cccc(C2(O)CCN(Cc3ccccc3N3CCCC3)CC2)c1 19234521 JXQIISBZFJQTTP-UHFFFAOYSA-N 350.506 4.079 0 40 FIAB CCc1onc(C)c1C(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 19521170 OHPTYFXSQUKSFZ-UHFFFAOYSA-N 374.444 4.459 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C 19932069 CCKYMFDKVFCKTF-SFHVURJKSA-N 355.434 4.276 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)[C@H](C)SCc1ccccc1 20461476 UPCWRJJRFFMTDU-INIZCTEOSA-N 365.502 4.119 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 26686309 XIWDWYSGWXQUJG-ARGWCVDVSA-N 356.466 4.425 0 40 FIAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(F)cc1Cl 30004370 XSYFHIDHDDSOJN-LBPRGKRZSA-N 355.862 4.076 0 40 FIAB CC(C)(NC(=O)CCc1cccs1)c1ccc(Br)cc1 32398627 MJPAKNJOYKUZJP-UHFFFAOYSA-N 352.297 4.495 0 40 FIAB O=C(COc1cccc2ccccc12)NCc1cccc(CN2CCCC2)c1 32462601 ACNTXLPVGNLLCS-UHFFFAOYSA-N 374.484 4.131 0 40 FIAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2ccccc2F)o1 32732070 RPLSVKYDAKYWSF-KRWDZBQOSA-N 364.420 4.090 0 40 FIAB Fc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2ncccc2c1 32825154 PXGPMRCZZJQXKI-UHFFFAOYSA-N 355.844 4.350 0 40 FIAB Cc1cccc(C)c1OCC(=O)NCc1nc(-c2ccccc2)cs1 32916656 QJIKYBTZMXACKO-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB O=C(Nc1ccccc1F)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 35314988 RHAAYAWCAQEVMG-MRXNPFEDSA-N 361.804 4.114 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)N1CCc2cc(F)c(F)cc21 40106801 BZNMXSKQAGUHLV-UHFFFAOYSA-N 358.171 4.240 0 40 FIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1Cl 41076990 DZHCLXCYLGQUCP-UHFFFAOYSA-N 355.825 4.236 0 40 FIAB CC(C)c1nc(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cs1 46747796 QRYWZLXUQXKDMM-AWEZNQCLSA-N 369.490 4.356 0 40 FIAB CCN(C(=O)Nc1cc(NC(C)=O)ccc1OC)[C@@H](C)c1ccc(F)cc1 47389102 SVCRLOCBCNHLNF-ZDUSSCGKSA-N 373.428 4.408 0 40 FIAB O=C(c1ccccc1)N1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)C1 49171090 YNOPSNQKOOCVFV-HNNXBMFYSA-N 353.809 4.020 0 40 FIAB biogenic,in-vitro CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cn1 57335518 PBVSTFYSZZETGI-UHFFFAOYSA-N 369.646 4.294 0 40 FIAB COc1cccc([C@H]2CCCN2Cc2cc(=O)oc3cc(OC)ccc23)c1 57403179 HTQHVMDWRLKFHK-HXUWFJFHSA-N 365.429 4.147 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)Nc3ccc(F)cc3)n2)cc1 58159778 ZTBKICPNUXBQBY-UHFFFAOYSA-N 371.437 4.322 0 40 FIAB O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)c1cn2ccccc2n1 65871655 PEEAXZSEQNEOMB-UHFFFAOYSA-N 363.367 4.132 0 40 FIAB CC(=O)Nc1ccc(F)c(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c1 68379188 QADMIDCASHXFQE-FQEVSTJZSA-N 352.409 4.076 0 40 FIAB Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1F 69450147 KLPKXWMJEOBOMY-QGZVFWFLSA-N 367.380 4.110 0 40 FIAB Cc1ccc2c(ccn2CCC(=O)Nc2nc(-c3ccncc3)cs2)c1 71285279 BXFSFFKHPYRUQT-UHFFFAOYSA-N 362.458 4.497 0 40 FIAB C[C@@H]1CCCCN1CCNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 71933058 FSCXHPNRBFYYQZ-CQSZACIVSA-N 358.486 4.121 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72354574 UMYSHBDMYOPEKU-IBGZPJMESA-N 366.415 4.341 0 40 FIAB Fc1cc(Br)ccc1-c1nnc2sc(C3CCC3)nn12 72400428 VRCXSRKZUHWLFF-UHFFFAOYSA-N 353.220 4.022 0 40 FIAB O=C(NCc1cnn2ccccc12)C1(c2ccc(Cl)cc2)CCCC1 75162787 MZDUIFBGIZEPHO-UHFFFAOYSA-N 353.853 4.116 0 40 FIAB Cc1ccc(-c2nc(C(=O)OCc3ccc4nn[nH]c4c3)cs2)c(C)c1 78767373 NHPJMYYVVFTAGF-UHFFFAOYSA-N 364.430 4.055 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1nc(-c2ccccc2Cl)ns1 78806014 AIAXGNQHGHEDNC-UHFFFAOYSA-N 363.801 4.015 0 40 FIAB O=C(NCCNc1ccccc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 79067635 AGYVGPKRIBXDDC-UHFFFAOYSA-N 367.449 4.352 0 40 FIAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)CCc1cccc(Cl)c1Cl 84637132 LGGWVMZCZCFPEZ-BXUZGUMPSA-N 356.249 4.147 0 40 FIAB CN(Cc1ccccc1)CC(C)(C)NCc1coc(-c2cccc(F)c2)n1 89761689 GLQCULDTCKEKKH-UHFFFAOYSA-N 367.468 4.481 0 40 FIAB CCCN(CCC)C(=O)c1cc2cc(I)ccc2[nH]1 89958886 ULKYJMPXEDKXID-UHFFFAOYSA-N 370.234 4.035 0 40 FIAB CCSc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cn1 95389757 XSTSIFIWCUPMGX-SFHVURJKSA-N 367.474 4.096 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC(Oc2ncccc2Cl)CC1 96096859 IXURGSJMBQQXHY-UHFFFAOYSA-N 373.865 4.028 0 40 FIAB CO[C@@H]1CCCN(c2ccc(NC(=O)NCCCc3ccccc3)cc2)C1 96122510 PJWRDLGFKYETAO-OAQYLSRUSA-N 367.493 4.056 0 40 FIAB CCc1noc(-c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)n1 96346578 REJIYKQAFCTKJG-UHFFFAOYSA-N 360.373 4.206 0 40 FIAB OC1(c2ccccc2F)C[C@@H]2CC[C@@H](C1)N2CCCOc1ccccc1 100751148 GDJZQDGBGLRMFP-ROUUACIJSA-N 355.453 4.109 0 40 FIAB CC1(C)CC2=Nc3nonc3N[C@@H](c3cccc4cccnc34)C2=C(O)C1 102747095 UUYLUHXGYWXSII-KRWDZBQOSA-N 361.405 4.489 0 40 FIAB CC1(C)O[C@@H]2[C@@H](O1)[C@@H]1C[C@H]2[C@@H]2[C@@H]1[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104330443 IZPNWEIGSKDHKD-LEBIUYHESA-N 370.103 4.450 0 40 FIAB COc1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 152493537 IBWBWITYHZOJGF-UHFFFAOYSA-N 360.841 4.424 0 40 FIAB Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2Br)c1 177833784 PTOPWTKVNLGUIX-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB Cc1c(C(=O)N2CCS[C@@H](c3ccco3)CC2)cnn1-c1ccccc1 207005614 IVQAGIRZRDJGOW-LJQANCHMSA-N 367.474 4.094 0 40 FIAB COc1ccc(C(=O)NCCCc2cccc(OC(C)C)c2)cc1Cl 223043553 QIAPGKOSBKCYDE-UHFFFAOYSA-N 361.869 4.498 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)s1 223602030 BRYPOHGFSZLBFM-LBPRGKRZSA-N 371.915 4.490 0 40 FIAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCC 223808977 XMYGGPCXSFACIP-KRWDZBQOSA-N 352.906 4.164 0 40 FIAB COc1cc(NC(=O)Cc2ccc(Cl)cc2F)c(OC)cc1Cl 224080849 MVAYODMIFDYAQC-UHFFFAOYSA-N 358.196 4.331 0 40 FIAB O=C(NCCOc1ccc(F)cc1)c1cccc(OCc2ccccc2)c1 224271118 AXKKXAPXVLRVGK-UHFFFAOYSA-N 365.404 4.214 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(Cl)cc1 224466074 KJOLCVIDLFKCMV-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 224623184 RYCVACGATBZTSK-LJQANCHMSA-N 361.869 4.255 0 40 FIAB COc1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1OC 226271825 SKRVDKIQUGGDII-UHFFFAOYSA-N 366.295 4.013 0 40 FIAB COc1ccc2c(c1)C1(CC1)CN(C(=O)CCc1ccc3ccccc3n1)C2 291960242 FRJNNEUZJKRYEK-UHFFFAOYSA-N 372.468 4.250 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(F)cc2F)CC1 408706860 GFDRZBHMGIFKFS-UHFFFAOYSA-N 352.425 4.015 0 40 FIAB FC(F)(F)c1cscc1-c1nc(-c2ccc(N3CCCC3)nc2)no1 621785747 FHWPIYHOPKWMLL-UHFFFAOYSA-N 366.368 4.479 0 40 FIAB COc1cc(Cl)c(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1C 685273471 OEHJYYKSAUZTED-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)C1(c2ccc(F)cc2)CC1 1775967427 RCUIKSYAULWVMH-OAHLLOKOSA-N 371.433 4.029 0 40 FIAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(Br)cc1 708897 XHIUCVIGDBZMMJ-UHFFFAOYSA-N 368.252 4.248 0 40 FIAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc2c1 778540 LCWADJCGKBRDEP-UHFFFAOYSA-N 350.418 4.200 0 40 FIAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1 799853 QYVHUGLJOFWLMJ-LTGZKZEYSA-N 372.424 4.105 0 40 FIAB O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccccc1 801895 HYQMWHPHAZDNBO-UHFFFAOYSA-N 351.456 4.433 0 40 FIAB COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1cc2ccccc2o1 873301 SWDYPENTZVRHRP-UHFFFAOYSA-N 352.390 4.288 0 40 FIAB COc1ccccc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C 885925 JFKCAXREEFIWFI-UHFFFAOYSA-N 359.385 4.459 0 40 FIAB CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(C)=O)ccc32)cc1 897432 JVRYLUFZZMJIRE-UHFFFAOYSA-N 351.402 4.466 0 40 FIAB COc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc1 935549 RHDYEWQHKIKGIE-HNNXBMFYSA-N 371.849 4.484 0 40 FIAB O=c1sc2c(n1-c1ccccc1)SC[C@@H]1COc3ccccc3[C@H]21 944564 ZDUJYIXEKXHKER-BLLLJJGKSA-N 353.468 4.145 0 40 FIAB Cn1nc(C(F)(F)F)c(COC(=O)Nc2ccccc2Cl)c1Cl 1389405 GYSDSGAJTKBTLP-UHFFFAOYSA-N 368.142 4.494 0 40 FIAB Cc1cccc(C(=O)n2ccc(-c3ccc(Oc4ncccn4)cc3)n2)c1 1402040 INSMQFTZAMHNNR-UHFFFAOYSA-N 356.385 4.129 0 40 FIAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(C)cc3)c(C)c2oc1=O 2146216 PSMYZRFWRUNMGT-UHFFFAOYSA-N 366.413 4.013 0 40 FIAB biogenic COc1cccc([C@@H]2N(c3cccc4ccccc34)C(=O)N3CCCN23)c1 2203766 XEUXIKNARWEUBN-NRFANRHFSA-N 359.429 4.410 0 40 FIAB Cc1ccc2c(I)cn(C(=O)OC(C)(C)C)c2c1 2563806 KIHASEWODMZAEI-UHFFFAOYSA-N 357.191 4.338 0 40 FIAB CCN(C[C@@H](O)c1cccc(O)c1)C(=S)Nc1cccc2ccccc12 3444550 RYQGSULNQNMIHN-HXUWFJFHSA-N 366.486 4.298 0 40 FIAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3cccs3)nc12 4359685 GZTUGRBPGKLOKE-UHFFFAOYSA-N 359.520 4.265 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2oc3ccccc3c2C)cc1 4581798 UMILKMGAAPDZAN-AWEZNQCLSA-N 365.385 4.128 0 40 FIAB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-n2cncn2)cc1 5246022 FEGVGXBIVDSFCS-NSHDSACASA-N 361.232 4.065 0 40 FIAB O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc2ccccc2c1 6228726 OBDRBRGPMHRKEL-UHFFFAOYSA-N 374.469 4.280 0 40 FIAB Fc1ccccc1Nc1nnc(SCc2cn3ccccc3n2)s1 6648250 SCJBGZBNYDYHND-UHFFFAOYSA-N 357.439 4.361 0 40 FIAB CN(C)C(=O)[C@H](Oc1ccc(Cl)cc1Br)c1ccccc1 6844496 ITYYXMMVENZZJA-OAHLLOKOSA-N 368.658 4.311 0 40 FIAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(C)cc3)cc2)C1=O 6952937 BSBDHJUCPAVWED-GOSISDBHSA-N 355.459 4.200 0 40 FIAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 7928694 WQAVQVVPMHLXJS-FQEVSTJZSA-N 371.436 4.236 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 8493174 MLQBJTKUGATIDT-SFHVURJKSA-N 357.519 4.429 0 40 FIAB CC(C)COc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1 8614067 HMXWHPGDBNOVAD-UHFFFAOYSA-N 355.369 4.163 0 40 FIAB Cc1nc2c(=O)n(Cc3ccc(F)cc3)nc(-c3cccs3)c2s1 8956027 WZFYLZCHSZXTSD-UHFFFAOYSA-N 357.435 4.077 0 40 FIAB CC(=O)c1cccc(OCC(=O)Nc2ccccc2SC(F)F)c1 9366624 JOKPUVQHJVZTRG-UHFFFAOYSA-N 351.374 4.221 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1Br 9516541 GPQDYILKRKYZPJ-UHFFFAOYSA-N 361.214 4.042 0 40 FIAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NCC1CCCCC1 9579311 NBZQIFMBVJPZHJ-NRFANRHFSA-N 364.489 4.244 0 40 FIAB O=C(NCCCOC1CCCCC1)c1csc(-c2cccs2)n1 11356198 VCRYBULMFRCJDZ-UHFFFAOYSA-N 350.509 4.341 0 40 FIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)cc(F)c1 11965575 ORUWEICRMDGGPQ-UHFFFAOYSA-N 359.401 4.427 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=S)N1Cc1ccccc1 12415956 XZANZUXSZCETEM-JXFKEZNVSA-N 354.475 4.015 0 40 FIAB COc1ccc(OC)c(NCC(=O)Nc2ccccc2-c2ccccc2)c1 12512832 NIBJQNKFIIEQNU-UHFFFAOYSA-N 362.429 4.421 0 40 FIAB CCn1ncc2c(C(=O)N3CCC(C)CC3)cc(-c3cccs3)nc21 12748713 DYRJJCSEWZSRCS-UHFFFAOYSA-N 354.479 4.052 0 40 FIAB CCOc1ccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)o2)cc1 12775307 CHRUHOWOOIRGMI-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB COc1ccc(-c2csc(NC(=O)CNC3CCCCCCC3)n2)cc1 12859476 OCCDAFTUFNRVCW-UHFFFAOYSA-N 373.522 4.460 0 40 FIAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ccc(OC(F)F)cc1 12905455 FLZAFDJVYOOIIW-UHFFFAOYSA-N 363.360 4.207 0 40 FIAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(F)cc3)oc12 12922914 NLTXSGMWCNDTOF-GFCCVEGCSA-N 363.410 4.010 0 40 FIAB Cc1cc(NC(=O)CN(C)[C@@H](C)c2ccccc2)n(-c2ccccc2C)n1 12925969 BCBHDLGNFFDHTB-SFHVURJKSA-N 362.477 4.121 0 40 FIAB Fc1ccc(Nc2nc(Nc3ccc(F)cc3)c3nccnc3n2)cc1 13010678 BJFVXAJKKBHDFX-UHFFFAOYSA-N 350.332 4.185 0 40 FIAB O=C(NCCc1ccc(F)cc1)N1CCC(c2c[nH]c3ccccc23)CC1 13016425 KEKLJYOFXYYNFT-UHFFFAOYSA-N 365.452 4.439 0 40 FIAB CCOc1ccc2nc(NC(=O)COc3ccc(C)c(C)c3)sc2c1 13018864 BVWDOYDHOSJGMZ-UHFFFAOYSA-N 356.447 4.329 0 40 FIAB CC1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 13668410 PRDJKQMJGOXBFF-GQCTYLIASA-N 355.309 4.245 0 40 FIAB Cc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)C[C@H]2C)c1 13811432 KZXLMIYEOPCRJR-MRXNPFEDSA-N 357.461 4.135 0 40 FIAB O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(Br)o1 14902145 MQZMXDJXQJPNER-UHFFFAOYSA-N 371.137 4.144 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 16090214 JMOMTXQBSWRQKM-UHFFFAOYSA-N 367.426 4.080 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCCc1nc(-c2ccccc2)no1 16226991 NZBBCVBSQQGSMM-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB CCN1C[C@H](CN(C)Cc2cc(-c3cccs3)on2)Oc2ccccc21 16423741 BAOYVSYPSRCKCQ-INIZCTEOSA-N 369.490 4.122 0 40 FIAB Cc1sc2nc(S)n(-c3cc(C(C)(C)C)ccc3O)c(=O)c2c1C 17074312 LABBYKBXKIUGIO-UHFFFAOYSA-N 360.504 4.356 0 40 FIAB Cc1cc(-c2cn[nH]c2)cc([C@H]2CCCN2Cc2c[nH]nc2C(C)(C)C)n1 19690842 AUNYBLBZMYJMTI-LJQANCHMSA-N 364.497 4.138 0 40 FIAB O=C(Nc1c(Cl)cccc1Cl)c1cccc(CN2CCOCC2)c1 22522416 ZNSSOSFOTJJZRY-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCCC3)c(O)n2n1 22852980 NVWIEZFOYSJLAC-QGZVFWFLSA-N 370.522 4.367 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140261 LGCXLPUCJWNDNC-ZDUSSCGKSA-N 373.865 4.471 0 40 FIAB CCCn1nc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)ccc1=O 24042976 CQWYRRPBJZXZAL-UHFFFAOYSA-N 368.820 4.193 0 40 FIAB COc1ccc([C@@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C(C)C)cc1 26786164 BLIVZNHWKUIAIA-NRFANRHFSA-N 365.429 4.237 0 40 FIAB O=C1C[C@H](C(=O)Nc2cccc(OC3CCCC3)c2)c2ccccc2N1 29021899 FJZRFPHOEDBISM-SFHVURJKSA-N 350.418 4.073 0 40 FIAB COc1ccc2cc([C@@H](C)C(=O)N3CCn4c3nc3ccccc34)ccc2c1 32876338 XZKILSHPWDIRBF-OAHLLOKOSA-N 371.440 4.348 0 40 FIAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1csc(C(C)(C)C)n1 32913813 HMZQDXRWQPHTEZ-CYBMUJFWSA-N 366.552 4.037 0 40 FIAB Cc1noc(-c2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2)n1 32970338 QQKZIEMWGYTMOQ-SJKOYZFVSA-N 351.406 4.034 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2cccc(OC(F)F)c2)cc1 40023524 HFUYVOIIEBOQCR-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 40150732 QIQVDIOCJUUKDP-HKUYNNGSSA-N 365.477 4.116 0 40 FIAB C[C@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 40161204 JDHMXZAOLPAMAT-CABCVRRESA-N 362.429 4.246 0 40 FIAB CC(C)COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40266445 YDPFCDGRPDBZLZ-GOSISDBHSA-N 362.433 4.426 0 40 FIAB COc1ccc(OC)c(CN(C(=O)CCc2ccccc2Cl)C2CC2)c1 45443759 CSCZITMWLSAASB-UHFFFAOYSA-N 373.880 4.481 0 40 FIAB Cc1cc(I)ccc1NC(=S)Nc1ccccc1 47805590 VAJKSBYXAZPSQJ-UHFFFAOYSA-N 368.243 4.409 0 40 FIAB CCOc1ccc(C(=O)Nc2cccnc2Cl)cc1Br 57316061 OWMSEFLUECEUAA-UHFFFAOYSA-N 355.619 4.149 0 40 FIAB CSc1sc(NC(=O)CSc2ccc(C(C)=O)cc2F)nc1C 64315184 MGPBJQSUZPCXNS-UHFFFAOYSA-N 370.496 4.246 0 40 FIAB CCOCc1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3 67340191 DXXLCZKGDJTZGD-UHFFFAOYSA-N 371.820 4.156 0 40 FIAB Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CCC(C)C)CCC(C)C 72285396 NOBLLCJMCRBWMU-UHFFFAOYSA-N 362.543 4.386 0 40 FIAB Cc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nccs1)OCO2 72341775 CGAAMBHDWFGWIQ-HNNXBMFYSA-N 358.488 4.315 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)N(C[C@H]1CCOC1)c1ccccc1 73743237 DPMJEGYSQSLYHR-CQSZACIVSA-N 364.367 4.092 0 40 FIAB COCc1cccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 76556714 FSNCRWWYFOCJOV-UHFFFAOYSA-N 360.262 4.082 0 40 FIAB Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)(F)F)N2C(=O)c1cc(F)cc(F)c1 84129334 POFGFCQWPMEQKS-TVQRCGJNSA-N 359.298 4.012 0 40 FIAB CCC(=O)Nc1cccc(C(=O)N[C@H]2CCCC[C@@H]2OCCC(C)C)c1 89941785 RRMMJWCNFXNKMN-OALUTQOASA-N 360.498 4.139 0 40 FIAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2cccs2)cc1 95480403 QITNAUGMCYRLGY-HNNXBMFYSA-N 371.443 4.056 0 40 FIAB CN(C)c1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193831 IKSBUUCQKAESBV-UHFFFAOYSA-N 361.430 4.332 0 40 FIAB CCOC(=O)c1nnsc1-c1conc1-c1c(Cl)cccc1Cl 96319546 CSDKKCNKUHYXCB-UHFFFAOYSA-N 370.217 4.344 0 40 FIAB O=C(Cn1ccc(Cl)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 97141295 WITJXNVVMHOFCP-UHFFFAOYSA-N 371.668 4.213 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\NC3CCCCC3)c3ccccc3C2=O)cc1 100136950 LVGNCENNMKDOAT-QNGOZBTKSA-N 360.457 4.445 0 40 FIAB O=C(CCSCc1ccccc1)NCCCN1CCCc2ccccc21 219001193 ZADYUKJZDIUKKS-UHFFFAOYSA-N 368.546 4.269 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H](c2cccs2)CC1 219490804 ORGMTMCCKUXTDP-QGZVFWFLSA-N 371.483 4.175 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)COc1ccccc1C 222998979 GVIPQTFZOKHFGN-QUCCMNQESA-N 355.478 4.353 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SC(C)C)s1 223350503 HGHBEJNEFJIRIG-NSHDSACASA-N 351.497 4.007 0 40 FIAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(OC)c(C)c1 224606127 AZJIBERCEBWROA-HXUWFJFHSA-N 363.461 4.130 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3C)o2)c(OC)c1 224866176 LMBWGFWBTWOMIU-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB Cc1cc(C)cc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 225229670 VYWCNPVYXQCYEK-UHFFFAOYSA-N 359.564 4.316 0 40 FIAB O=C(NCc1ccnc(-c2ccco2)c1)c1cccc(Oc2ccccn2)c1 225656780 UMAJAVFFFLUMIA-UHFFFAOYSA-N 371.396 4.459 0 40 FIAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257271780 MZTHRTDXEDBWSK-IBGZPJMESA-N 365.408 4.167 0 40 FIAB Cc1cccc([C@@H]2CCCN2C(=O)Nc2cn(C)nc2C(F)(F)F)c1C 331560040 PHQXUBJRYXHHKF-HNNXBMFYSA-N 366.387 4.425 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 408679105 IIJBRZHIISQVJH-QGZVFWFLSA-N 368.477 4.239 0 40 FIAB CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccccc1Cl 659366 VIQSPIXCJSUUGY-UHFFFAOYSA-N 367.854 4.158 0 40 FIAB COc1ccc2c(c1)-c1nc(NC(=O)c3cccc(F)c3)sc1CC2 792480 KJLFBZRBYVNKQM-UHFFFAOYSA-N 354.406 4.309 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c1 869892 QAMWQFABPNYITR-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1 883966 VIHAMWJRRXUHMW-FQEVSTJZSA-N 363.440 4.079 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)N[C@H]4CCCC[C@H]4C)sc3nc2c1 933899 GJAVYILJPXVOLZ-ABAIWWIYSA-N 369.490 4.349 0 40 FIAB O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)c1ccccc1 976888 UXSUHOQDSPXJMJ-UHFFFAOYSA-N 359.838 4.310 0 40 FIAB CCC(=O)N1CCc2cc(-c3nc(NC(=O)C4CCC4)sc3C)ccc21 1366684 IZYWSXNAKFASGN-UHFFFAOYSA-N 369.490 4.156 0 40 FIAB COc1cccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c1OC 2318067 SOUKDEBMAQMGPJ-AQTBWJFISA-N 359.381 4.202 0 40 FIAB COc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2ccccc21 2488067 BJXPVPBNJPZFJF-UHFFFAOYSA-N 363.335 4.474 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2cc(C)ccc2OC)c1 3452346 RFARLFDHUCXBOE-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB Cc1ccc(C)c(NC(=O)COc2ccc(F)cc2Br)c1 3510485 RWUQOXOUWRAKNA-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB COc1ccc(-c2ccc(SCC(=O)Nc3ccccc3C)nn2)cc1 4355748 SNGDRCIZCYUQPL-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 4406240 KLMWXSLKNKFNDV-UHFFFAOYSA-N 352.522 4.168 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 4699519 QXJHPKOHAXHMGZ-ZDUSSCGKSA-N 360.816 4.033 0 40 FIAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCCc1ccccc1 4699920 OXMSWTMVOQIQCC-UHFFFAOYSA-N 372.468 4.490 0 40 FIAB Cc1cccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 4857356 UGUXVZQGHBHWNG-AYHJJNSGSA-N 373.566 4.240 0 40 FIAB CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)=N1 4890796 HDRZUAYZBYYFTA-UHFFFAOYSA-N 373.428 4.274 0 40 FIAB CN(C)C(=O)CC1(CC(=O)Nc2cccc(C(F)(F)F)c2)CCCC1 5156754 HFQHJTRCJKVXEY-UHFFFAOYSA-N 356.388 4.073 0 40 FIAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4ccccc4)CC3)nc12 5240029 DFXPOXWKDGMKDG-UHFFFAOYSA-N 371.893 4.221 0 40 FIAB CSc1ccc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2c1 5299136 GKDQHHMRLRTUQQ-UHFFFAOYSA-N 358.444 4.042 0 40 FIAB Nc1nc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cs1 5588991 YUWLGKORDMLCPQ-UHFFFAOYSA-N 371.274 4.408 0 40 FIAB CCn1c(SCc2ccccc2OC)nnc1-c1ccc(OC)cc1 5852852 DNCKNANZPKNKQT-UHFFFAOYSA-N 355.463 4.275 0 40 FIAB CC(=O)Nc1ccc([C@@H]2SCC(=O)N2CCc2ccc(Cl)cc2)cc1 6585892 GLGNIVYGTUNAPC-IBGZPJMESA-N 374.893 4.115 0 40 FIAB CN(C)c1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1 6672057 FWBOBWMQXQCSQZ-UHFFFAOYSA-N 367.503 4.211 0 40 FIAB COc1ccc(/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)cc1Cl 7342967 FTHJYDLBHAHTBI-OQLLNIDSSA-N 360.822 4.443 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1Cl)c1cccc(Br)c1 7405302 VDNUIBOLEBEWDK-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)c1ccc(F)cc1 7477765 ZXYXOKAFZSNKDP-OAHLLOKOSA-N 366.392 4.056 0 40 FIAB O=C(O)/C(=C/c1cccs1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603286 USPFQYBYXNYNFX-WQLSENKSSA-N 363.851 4.404 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 7669927 LONMZMCRWPFVHK-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB O=C(COc1cccc(F)c1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688786 VNSFPQCYBUVSID-UHFFFAOYSA-N 364.348 4.245 0 40 FIAB O=C(Nc1nc(-c2cccs2)cs1)c1cncn1-c1ccccc1 7738422 OCOIMZZQCRFEDY-UHFFFAOYSA-N 352.444 4.310 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 7928984 VYXOGUARQHALMW-JKSUJKDBSA-N 367.445 4.167 0 40 FIAB Fc1ccc(CN(Cn2nc(-c3cccs3)[nH]c2=S)C2CC2)cc1 8151392 DQYFFSQXVULHIY-UHFFFAOYSA-N 360.483 4.430 0 40 FIAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(F)cc1 8429691 MXIXYSZIESRUFN-SFHVURJKSA-N 370.449 4.099 0 40 FIAB CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 8527890 CMYJNOQRMXBZNV-ZDUSSCGKSA-N 361.894 4.382 0 40 FIAB O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCCC1 8881639 INVPAOXDYQCKCF-UHFFFAOYSA-N 355.463 4.307 0 40 FIAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8903092 XCUADSNSPMVOSD-UHFFFAOYSA-N 353.447 4.451 0 40 FIAB Cc1c(COc2ccc3ccc(=O)oc3c2)noc1-c1ccc(F)cc1 8924319 DEFHTXYOONJQCF-UHFFFAOYSA-N 351.333 4.475 0 40 FIAB CC(C)[C@H]1C[C@](CCNC2CCN(C)CC2)(Cc2ccccc2)CCO1 9047119 FVOUTONKTROUNU-PKTZIBPZSA-N 358.570 4.124 0 40 FIAB C[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cc2ccccc2o1 9218094 LYIGKWGLFICAKX-DNVCBOLYSA-N 365.429 4.482 0 40 FIAB Cc1cccn2cc(COc3ccc(C(=O)N4CCC(C)CC4)cc3)nc12 10356051 PMIIKBQAJLHLGF-UHFFFAOYSA-N 363.461 4.094 0 40 FIAB CCOc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 10448983 CVIUXLOSQGNZAC-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(-n2cccn2)cc1 10926555 FIYRAKDLBZEDTH-UHFFFAOYSA-N 361.376 4.225 0 40 FIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c2c1[C@@H](C)CC2=O 11052827 QKFHOTSWDQLZKS-KBPBESRZSA-N 355.409 4.080 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc2nc(-n3cccc3)sc2c1 12408302 QTRWSBVBQBGGQE-UHFFFAOYSA-N 363.398 4.068 0 40 FIAB Sc1nnc(-c2ccc3nccnc3c2)n1-c1ccc(Cl)cc1Cl 13718424 YUPJUPCNFKYUOP-UHFFFAOYSA-N 374.256 4.473 0 40 FIAB Cc1cccc(OC[C@H](O)CN(Cc2ccco2)Cc2cccs2)c1 14202083 LDSBBZACBPGAMA-QGZVFWFLSA-N 357.475 4.092 0 40 FIAB COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1Br 16066728 WUDDKDBYZPLUIX-UHFFFAOYSA-N 368.271 4.087 0 40 FIAB Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1C 16991652 YHJYBPSYHWQRBL-UHFFFAOYSA-N 363.442 4.189 0 40 FIAB Cc1ccccc1CC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19237045 YPFXJIOKIWRPCC-UHFFFAOYSA-N 367.474 4.055 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)CC1 20110577 CYXBCNQSFHOQON-UHFFFAOYSA-N 350.506 4.281 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2noc(-c3ccccc3)n2)ccc1Cl 21800351 PLFKOSVMGYKSSY-LBPRGKRZSA-N 357.797 4.104 0 40 FIAB CC(=O)c1cccc(NC(=O)Cc2cc(-c3cc4ccccc4o3)on2)c1 23127288 KGEMVKOCQULFMI-UHFFFAOYSA-N 360.369 4.472 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCC(=O)c2cc(C)sc2C)cc1F 24079471 GPLKDOSCUTVLIT-GFCCVEGCSA-N 363.454 4.353 0 40 FIAB Cc1ccc(-c2nc(COC(=O)c3cncc(Br)c3)co2)cc1 25368729 MOSJPRANWIJTPA-UHFFFAOYSA-N 373.206 4.165 0 40 FIAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(OC)cc2)cc1OCC 30755697 IAFIKLBKNBXRCA-MRXNPFEDSA-N 371.477 4.303 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 31710704 DOGJHALCCMTBIH-WBVHZDCISA-N 368.477 4.238 0 40 FIAB O=C(Nc1ccccc1-c1cccs1)[C@H]1CC(=O)N(c2ccccc2)C1 31949522 XXIIVDMSTQOSTK-HNNXBMFYSA-N 362.454 4.407 0 40 FIAB CCOCCSCc1nc2cc(-c3ccc(F)cc3)sc2c(=O)[nH]1 32863420 DDDJMRTZIBGSPW-UHFFFAOYSA-N 364.467 4.060 0 40 FIAB CC(C)c1cccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)c1 32929938 VMSVPCZWRBNLTM-UHFFFAOYSA-N 365.882 4.017 0 40 FIAB COc1cccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)c1 35616198 QOKMYAZHIGPXTN-UHFFFAOYSA-N 359.433 4.215 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCCc2nc(-c3ccc(F)cc3)no2)cc1 35672983 YXORXGKENRXZAS-UHFFFAOYSA-N 367.424 4.146 0 40 FIAB Cc1nc(C)c(C(=O)Nc2ccccc2NC(=O)c2cccs2)s1 38490136 CZNZNFXDOGKCRE-UHFFFAOYSA-N 357.460 4.326 0 40 FIAB O=C(CNc1ccc(OC(F)(F)F)cc1)N1CCSc2ccccc21 40007914 OGCXCXQDYJIBBN-UHFFFAOYSA-N 368.380 4.136 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1OC 40067027 RCCMTUWVUIOHIC-QGZVFWFLSA-N 365.433 4.091 0 40 FIAB COc1cc(C)c(NC(=O)NCCSCc2cccs2)cc1OC 40103457 WZXOUEFYFLKCLQ-UHFFFAOYSA-N 366.508 4.129 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(-c2nccs2)c1 40150698 YNAJYMCOIIQWMD-OAHLLOKOSA-N 373.478 4.148 0 40 FIAB Brc1ccc2c(Br)c(O[C@H]3CCNC3)ccc2c1 42774553 UTFBYWWNVMSCJT-NSHDSACASA-N 371.072 4.106 0 40 FIAB Cc1cccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)c1 43739414 VRDAIQHHDLZQHU-UHFFFAOYSA-N 371.502 4.337 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(CN2CCOCC2)c1 44903881 ZXSFUYSGLHLSFM-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB Cc1ccc2c(Nc3ccc(F)c(C)c3)c(C(=O)N3CCCC3)cnc2n1 49004651 KKDIMWHDLKUAQM-UHFFFAOYSA-N 364.424 4.365 0 40 FIAB O=C(CSc1ccc(F)cc1)N1CCC(COCc2ccccc2)CC1 49028750 YMVZIHAYUFJGPT-UHFFFAOYSA-N 373.493 4.373 0 40 FIAB O=C(NCCCc1nc2ccccc2s1)N1CCc2ccc(F)cc21 60535603 OZVNAXYWQALOJY-UHFFFAOYSA-N 355.438 4.140 0 40 FIAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc(N2CCCCC2)nc1 69386695 QFPYTWBGCYJVNO-UHFFFAOYSA-N 356.474 4.110 0 40 FIAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)c3cccs3)cc12 71814341 PFIPVCHMJHODBD-UHFFFAOYSA-N 355.415 4.352 0 40 FIAB CC(C)n1ncc2c(-c3c(F)cccc3Cl)c3sc(=O)[nH]c3nc21 79479574 XZAIBPCYEOTSAW-UHFFFAOYSA-N 362.817 4.375 0 40 FIAB CSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80345041 JRCYBLMRZDUDED-UWVGGRQHSA-N 360.291 4.309 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@H](C)c3ccc(C(=O)OC)o3)n2)cc1 83825251 RTSPREJTULLQOA-LLVKDONJSA-N 357.435 4.267 0 40 FIAB CC1(C)[C@H]2CC=C(COC(=O)CCc3nnc(-c4ccsc4)o3)[C@@H]1C2 84673955 UQPJWXFGJSNHJV-GJZGRUSLSA-N 358.463 4.266 0 40 FIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1ccncc1 95477482 CXJDRLNZCPMSBV-IBGZPJMESA-N 367.880 4.069 0 40 FIAB FC(F)(F)C(F)(F)SCCNCc1cccc(Br)c1 95918378 NPEWDOBLULFEOF-UHFFFAOYSA-N 364.177 4.427 0 40 FIAB CC(C)OCCCN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102360743 JBUVRNQYWFPGNI-UHFFFAOYSA-N 357.479 4.187 0 40 FIAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4)C3=C(O)C2)cc1 102674262 COWFTLXHROQOOR-IERDGZPVSA-N 372.428 4.352 0 40 FIAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 107491568 NIWMPJLGBVVWCV-WCQYABFASA-N 361.338 4.075 0 40 FIAB Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(-c2ccccc2F)o1 114294962 JJAJUEAAJJNRIJ-UHFFFAOYSA-N 373.405 4.050 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222709819 FBPVGBXZEBHOKB-JKSUJKDBSA-N 369.461 4.226 0 40 FIAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222756398 TZOCOGFAVOTUIB-ZWKOTPCHSA-N 367.499 4.428 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1C 223090000 JGQWNYDUTNUSME-RBUKOAKNSA-N 354.523 4.034 0 40 FIAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 225306674 JNXBOLGMLHQBKH-MRXNPFEDSA-N 373.324 4.427 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(Cl)cc1 225448932 QNPNMGZKWPYLHA-UHFFFAOYSA-N 356.882 4.321 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)ccc1Cl 225473034 UGJBZCFDCPXTRT-JTQLQIEISA-N 366.845 4.313 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225727516 YFAKCDJWIDXIQZ-KXBFYZLASA-N 357.450 4.047 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2C)cc1 225762170 FLHWOBFABVZFOJ-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB O=C1CCCN1c1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225870653 SMDOOKKRAKXTHM-UHFFFAOYSA-N 369.490 4.162 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 260449463 YAWARCUBOVDMAF-VQTJNVASSA-N 360.542 4.150 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCCC1 260812582 GZKIRXFLNCXRIA-SFHVURJKSA-N 374.525 4.085 0 40 FIAB CC(C)(O)CNC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 519449074 SPLSBHFESKACLI-UHFFFAOYSA-N 350.871 4.384 0 40 FIAB COc1ccc(CCNC(=O)NC[C@H](c2ccco2)c2cccs2)cc1 585146807 SKJMJKUIRAQENW-QGZVFWFLSA-N 370.474 4.024 0 40 FIAB Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1OC(F)F 604033202 RFWCCSLJJWWOEB-UHFFFAOYSA-N 370.359 4.382 0 40 FIAB CC(C)CC(=O)N1Cc2ccccc2NCC[C@H]2CC[C@@H](C1)N2C(C)C 643576281 SYNWGPODNSQEIU-UXHICEINSA-N 357.542 4.118 0 40 FIAB Cc1nc(N2CCC(c3ccc4cccnc4n3)CC2)cc(C(F)(F)F)n1 656214976 OAGRNCYOBDAZOM-UHFFFAOYSA-N 373.382 4.131 0 40 FIAB COc1ccccc1[C@@]1(CC(=O)NCc2ccco2)CCO[C@@H](C(C)C)C1 1294622 BODULCBBZLXDPD-IRLDBZIGSA-N 371.477 4.068 0 40 FIAB biogenic CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCNCCOC(=O)Nc1ccccc1)C2 2277159 LBEOWKDSFZCIPA-YRISNDGFSA-N 360.498 4.056 0 40 FIAB CC(C)Cn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21 2290723 WULYQKYHPJWPQP-UHFFFAOYSA-N 359.433 4.075 0 40 FIAB COCC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1-c1ccccc1 2718529 KKVJHDVXPYWVAQ-UHFFFAOYSA-N 368.458 4.192 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(Cl)ccc1OC 2721925 ALAIJCOIHLDUGQ-UHFFFAOYSA-N 372.808 4.259 0 40 FIAB COc1ccc(-c2cc(C(F)F)n3nc(C)c(Cl)c3n2)cc1OC 2787457 GYIKIQZHPDQYQF-UHFFFAOYSA-N 353.756 4.313 0 40 FIAB O=C(CCc1nc2ccccc2s1)OCC(=O)c1ccc(Cl)s1 3273901 CKLDXODDBOZVCK-UHFFFAOYSA-N 365.863 4.370 0 40 FIAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)NCCC1=CCCCC1 3278646 YCQYYDSYGNWRGU-UHFFFAOYSA-N 370.276 4.086 0 40 FIAB O=C(/C=C/c1cccc(F)c1)OCC(=O)c1ccccc1Br 3295824 RLZBOHWGHABDIN-CMDGGOBGSA-N 363.182 4.028 0 40 FIAB CC(=O)CCc1ccc2oc(C(=O)OCC(=O)c3ccccc3)c(C)c2c1 3304410 KNXOOIPGRFDJEB-UHFFFAOYSA-N 364.397 4.303 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1C 3436398 MCDCNDFQNJRFDK-QGZVFWFLSA-N 370.880 4.448 0 40 FIAB C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 3474757 DUOZBXLFXHHAPS-KRWDZBQOSA-N 359.425 4.174 0 40 FIAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1 4062222 FPPSKLSVFGKMQD-RRPUWOKSSA-N 365.473 4.204 0 40 FIAB biogenic CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4731464 VBFJMQZLLRTMFC-IBGZPJMESA-N 365.408 4.416 0 40 FIAB O=C(NCc1nc(-c2ccccc2)no1)c1ccccc1-c1ccccc1 5353848 OFSGWPHOJHZVKT-UHFFFAOYSA-N 355.397 4.334 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2c(F)cccc2Cl)c1 5564168 MAULZABNTSIEEG-WTNCMQEWSA-N 361.800 4.371 0 40 FIAB COc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 5598766 OCDLCQVMGHZJOZ-UHFFFAOYSA-N 355.415 4.288 0 40 FIAB C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 6354748 QDQVWKIJNDUPKE-SECBINFHSA-N 373.277 4.168 0 40 FIAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(C)c2)sc2c1CCCC2 6450796 SJMHSOJPBWJJOC-CYBMUJFWSA-N 373.474 4.128 0 40 FIAB CCOc1ncccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 6936060 SUTASYPBPZKKGB-HNNXBMFYSA-N 353.447 4.067 0 40 FIAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3F)n2C)cc1 6963732 SHWYVEQOHPPBAC-XDOYNYLZSA-N 370.449 4.341 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)s1 7617179 YVERUFSERJAZSB-UHFFFAOYSA-N 370.503 4.328 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 7671854 YWYYQGMMGMRCMZ-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2coc3cc(OC)ccc23)c1 7792171 ARSDZVHVZOEILB-UHFFFAOYSA-N 373.792 4.063 0 40 FIAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 7882145 MVOCRKXGYOYJPB-LPHOPBHVSA-N 358.441 4.388 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 8007615 BUNGUFKPLYLSQJ-ZDUSSCGKSA-N 358.360 4.043 0 40 FIAB COc1ccc(C)cc1NC(=O)CCc1c(C)nn(-c2ccccc2)c1C 8270945 SFLLDDRXQRZEFP-UHFFFAOYSA-N 363.461 4.377 0 40 FIAB NC(=O)c1ccc(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)cc1 9647118 ZMGFYQSNXSCAEX-UHFFFAOYSA-N 364.405 4.340 0 40 FIAB COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 10302078 MBRJHBWFHQXFJZ-UHFFFAOYSA-N 373.405 4.427 0 40 FIAB O=C(CNc1ccccc1N1CCCCC1)N[C@@H]1CCCc2ccccc21 12549422 VHKGHFIQHDFWHV-HXUWFJFHSA-N 363.505 4.283 0 40 FIAB CC(C)[C@@H](C(=O)NCCc1cn2ccccc2n1)c1ccc(Cl)cc1 12666289 OGZCXCWRKMOXAJ-LJQANCHMSA-N 355.869 4.086 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)c1 12761107 QNHQFNWDHWJDER-XEDBTPMOSA-N 351.446 4.389 0 40 FIAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3cccc(F)c3)oc12 12997922 UXBYRVHEOQBOEI-GFCCVEGCSA-N 363.410 4.010 0 40 FIAB COC(=O)c1ccc(CS[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 13012327 WIMCVNAWFVMHTR-CQSZACIVSA-N 369.486 4.222 0 40 FIAB Cc1cccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c1 13695079 PRFVRQDXSGPXDC-UHFFFAOYSA-N 362.473 4.256 0 40 FIAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1c[nH]c2ccccc12 14018403 ZHXPDINTESMYJQ-NSHDSACASA-N 368.487 4.388 0 40 FIAB CCC(=O)NC(=S)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 14257685 IIXFFRQNZMSNNY-UHFFFAOYSA-N 353.447 4.335 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 14269103 VADCKJGCOHTSIY-UHFFFAOYSA-N 355.781 4.206 0 40 FIAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)cc1 14651674 VENBPYJBTOOWTK-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCc2ccccc21 16780304 BPRUTPLHKLLBBM-UHFFFAOYSA-N 359.491 4.134 0 40 FIAB COc1ccc(Cl)cc1NC(=O)C1(c2ccc(F)cc2)CCOCC1 16986084 BIVYNAJFFFXOIY-UHFFFAOYSA-N 363.816 4.175 0 40 FIAB Cc1sc2c(C3CCN(C(=O)c4cccc(F)c4)CC3)nc(C)n2c1C 19561811 CDYXHUZNZWMMQA-UHFFFAOYSA-N 371.481 4.480 0 40 FIAB CN(C)C1CCC2(CC1)CN(Cc1cccc(F)c1)Cc1ccccc1O2 19583953 USQKGZBJTNSUCK-UHFFFAOYSA-N 368.496 4.463 0 40 FIAB Cc1cc(C)c2nc(C)c(C(=O)NCc3nnc(-c4ccccc4)o3)cc2c1 19715324 RQZDALGFFSTUNE-UHFFFAOYSA-N 372.428 4.140 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1OC 20025354 HWBYJKRQHIYGDX-UHFFFAOYSA-N 357.303 4.043 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc3ccccc13)CC(O)=N2 20714643 MKCXXDVYRVNVAM-QGZVFWFLSA-N 355.401 4.248 0 40 FIAB COc1ccc(C)cc1CN(C)C(=O)c1cc(F)ccc1Br 21557710 XFTWRDCSKZTYGI-UHFFFAOYSA-N 366.230 4.177 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(C2CC2)n(C)c1=S 24082786 SKJLXXLPWRKIDK-LLVKDONJSA-N 359.524 4.089 0 40 FIAB O=C(Oc1ccc(C2SCCS2)cc1)c1cnc2ccccc2n1 24104056 GTBKGKVVWGAGRF-UHFFFAOYSA-N 354.456 4.328 0 40 FIAB COc1cc(C)c(CN(C)C(=O)C2(c3ccccc3)CCC2)cc1OC 25766331 PAPQYWFCKOZLED-UHFFFAOYSA-N 353.462 4.093 0 40 FIAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 28784926 LLHPFOQEIAEEKL-CYBMUJFWSA-N 361.825 4.015 0 40 FIAB CC(C)C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 29106980 QWJJIBFYNZYVGZ-NRFANRHFSA-N 364.489 4.326 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)Nc3cccc(F)c3)co2)cc1 31424489 RMZIXIHZKRNCSC-UHFFFAOYSA-N 372.421 4.361 0 40 FIAB CCOc1ccc(-c2nc(-c3cccc(NC(C)=O)c3)no2)cc1OCC 32610549 XGEFIPXKCKSDLA-UHFFFAOYSA-N 367.405 4.159 0 40 FIAB CCCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 32936381 JQGTXNWNSKNDCI-HXUWFJFHSA-N 362.408 4.247 0 40 FIAB COc1ccc(C(=O)c2sc3nc4c(cc3c2N)CCCC4)cc1OC 35325922 DYZYHBUOJVRYAS-UHFFFAOYSA-N 368.458 4.006 0 40 FIAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1cccc(F)c1 36619738 AGLSBXJEPNVLRD-FQEVSTJZSA-N 359.466 4.230 0 40 FIAB CSc1nc(C)c(CCC(=O)OCc2ccc(Cl)cc2)c(C)n1 39979730 JDAKCMHWDSAFSB-UHFFFAOYSA-N 350.871 4.145 0 40 FIAB Clc1ccc(-n2nnnc2SCCCc2nc3ccccc3o2)cc1 40154966 JNONZWDKFJLUAK-UHFFFAOYSA-N 371.853 4.182 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2F)c1 40285136 XFDIQENDAHNFQN-CQSZACIVSA-N 367.380 4.152 0 40 FIAB O=C(C1CCCC1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 44204384 OIXGUENQRMGSJL-AWEZNQCLSA-N 359.470 4.240 0 40 FIAB CCOc1ccc(SCC(=O)N2CCC(c3ccc(O)cc3)CC2)cc1 48332313 CBIIJLSIARLJJT-UHFFFAOYSA-N 371.502 4.289 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)Cc2csc(-c3cccs3)n2)on1 53400446 XEIRYBPKIJLIIQ-ZDUSSCGKSA-N 359.476 4.074 0 40 FIAB CCCn1c(CN2CCC(O)(c3ccccc3F)CC2)nc2ccccc21 57823219 IZLMTZCIYQYSDW-UHFFFAOYSA-N 367.468 4.069 0 40 FIAB Cc1cc(N)nc(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 58018117 PIONIUGGDMGXGN-AWEZNQCLSA-N 364.474 4.473 0 40 FIAB COc1cccc(-n2ccnc2SC[C@H](O)c2ccc(Cl)cc2)c1 58084939 FVCPVYXAAFDUOT-KRWDZBQOSA-N 360.866 4.360 0 40 FIAB CC(=O)Nc1ccc(OC(=O)c2sc(-c3ccsc3)nc2C)cc1 58241971 ATUIRUUVIMLZNA-UHFFFAOYSA-N 358.444 4.358 0 40 FIAB C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@H]1CCCO1 58411742 SWSIOXMLPAONMW-QVKFZJNVSA-N 366.436 4.126 0 40 FIAB CCCCCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O 67259029 OEVATJIZQVCGMU-UHFFFAOYSA-N 357.479 4.484 0 40 FIAB O=c1c2sccc2nc(SCc2ccc(F)c(F)c2)n1C1CC1 67259756 NLJUSGFIGPZOOC-UHFFFAOYSA-N 350.415 4.363 0 40 FIAB O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@H]1c1cccs1 68436820 NAMFKZAKRJMDEH-JTQLQIEISA-N 366.284 4.088 0 40 FIAB O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1ccnc(F)c1 78483861 OXEOKJIXRIHGDT-UHFFFAOYSA-N 358.319 4.330 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2o1 79105427 ADLLDGAHWRNJLM-CYBMUJFWSA-N 357.841 4.249 0 40 FIAB CC(C)c1noc(CCCC(=O)N[C@@H]2c3ccccc3CCC2(C)C)n1 89893632 QAXFYQFZLJQJPW-LJQANCHMSA-N 355.482 4.346 0 40 FIAB CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)[C@H]1CCc2ccccc21 95956579 MBKGKBHIIZSYMQ-SFHVURJKSA-N 372.490 4.020 0 40 FIAB Cc1cccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)c1 96075037 OPDPJNDPSYVYTF-WIYYLYMNSA-N 367.424 4.017 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96223660 MAYSAKALJYYGKP-QGZVFWFLSA-N 357.841 4.162 0 40 FIAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc(Cl)c1OC 96634973 OYRFHUBCLJFRIB-OQLLNIDSSA-N 357.793 4.010 0 40 FIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCCc1csc2ccccc12 183503260 MAFPXHPEGWYAHU-QGZVFWFLSA-N 368.506 4.330 0 40 FIAB O=C(Cc1ccccc1Cl)N(CCc1cccs1)C1CCOCC1 206676251 MMDSJBAZBDITKG-UHFFFAOYSA-N 363.910 4.194 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCc1ccc([C@@H](O)c2ccco2)s1 206684474 VCSARZQCCPYRSK-VQFGERMISA-N 373.861 4.406 0 40 FIAB Cc1ccccc1[C@@H]1CCN(C(=O)Cc2noc3ccccc23)CCS1 219268371 LOCCKMXYHFQCAQ-FQEVSTJZSA-N 366.486 4.386 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(C)c1C 223004694 XGTHEDKHDNWGMY-MRXNPFEDSA-N 373.518 4.230 0 40 FIAB Cc1ccccc1CSCCNC(=O)Cc1ccc(Cl)cc1F 223985864 XPJQGLPRPGWPCV-UHFFFAOYSA-N 351.874 4.380 0 40 FIAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224480131 ZUSUGQNQHQOMQJ-ROUUACIJSA-N 368.893 4.251 0 40 FIAB Cc1cccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 225288400 JAEJVOCVWCPTPW-UHFFFAOYSA-N 361.489 4.219 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)s1 225581155 SPQGBEAQCYRUKG-LBPRGKRZSA-N 371.915 4.408 0 40 FIAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 225609098 JUTSZULOWUUFAJ-HNNXBMFYSA-N 357.759 4.212 0 40 FIAB CO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225635121 QLUUQENQDOSFIU-GCJKJVERSA-N 374.525 4.085 0 40 FIAB CCCCS(=O)(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442806 BNOQBKCPBNBFFL-UHFFFAOYSA-N 370.478 4.348 0 40 FIAB Cc1c(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)oc2ccc(F)cc12 620094724 UICQKUVFNCSVAY-UHFFFAOYSA-N 367.355 4.340 0 40 FIAB O=C(CCCn1cccn1)N1CCCCCCCc2ccccc2OCC1 643584221 JALULHJBCPKPJQ-UHFFFAOYSA-N 369.509 4.078 0 40 FIAB CCOc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1C 1561076870 XITGAIJTSVACDJ-UHFFFAOYSA-N 361.246 4.468 0 40 FIAB Cc1ncsc1-c1ccc(CNC(=O)c2cc(O)nc(C3CC3)c2)cc1 1614993944 DUPHHHJSXKSPLN-UHFFFAOYSA-N 365.458 4.027 0 40 FIAB O=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccccc1Cl 794833 SPIDDZIBWIEKNY-UHFFFAOYSA-N 368.849 4.452 0 40 FIAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccncc3)ccc12 803907 KNSGMAOXEWVZHR-UHFFFAOYSA-N 364.405 4.332 0 40 FIAB COc1ccc(Cl)cc1-c1nc(-c2ccc(N(C)C)cc2)cc(=O)o1 1261611 OYMFRDZBESRTIQ-UHFFFAOYSA-N 356.809 4.097 0 40 FIAB CN(C)C(=O)c1ccc(-n2cc(-c3cccc(C(F)(F)F)c3)cn2)cc1 1400842 GRWKPIVWMJYWAW-UHFFFAOYSA-N 359.351 4.260 0 40 FIAB O=C(O)c1cccc(CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 2184354 CKSRWJHOGMDXJT-OQLLNIDSSA-N 373.817 4.275 0 40 FIAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C)cc1 2393589 OMBCZNUWQHVFBY-NLFFAJNJSA-N 361.422 4.472 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)s2)o1 2641605 PXTWYPZLJHLIEZ-UHFFFAOYSA-N 370.217 4.122 0 40 FIAB Cc1ccc(OCCOC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 2662728 GCKKMVPIZIAHMR-UHFFFAOYSA-N 364.445 4.092 0 40 FIAB O=C(COC(=O)CSc1ccc2ccccc2c1)NC1CCCCCC1 3226520 CBHOEJKHTHWGKV-UHFFFAOYSA-N 371.502 4.314 0 40 FIAB CN(C(=O)[C@@H]1COc2ccccc2O1)C(c1ccccc1)c1ccccc1 3366555 HYVRJMIWTKPMDW-NRFANRHFSA-N 359.425 4.074 0 40 FIAB C[C@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902440 WSJCDIBESNMSPH-BLWLFSITSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro O=C(c1cccc(F)c1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 3955990 RJXCYVJLXGRCHK-UHFFFAOYSA-N 366.480 4.344 0 40 FIAB C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 4074107 CJAOKHQEBDVGKO-IXQFEBDISA-N 354.490 4.330 0 40 FIAB biogenic COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1 4275987 GNPZCJRAXSZCLN-UHFFFAOYSA-N 363.348 4.290 0 40 FIAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(Cl)cc1 4484657 VHZKBYUPYZGMSI-GFCCVEGCSA-N 372.881 4.037 0 40 FIAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O 4704848 UBVZTUHHFAOWIJ-VLURKWGBSA-N 356.447 4.321 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1 5244444 HUCDOFVPRLEVTC-UHFFFAOYSA-N 364.401 4.062 0 40 FIAB COc1ccc(-c2ncnc(C(F)(F)F)c2-c2cscn2)c(O)c1 5879874 KJMMKMJKAHQLND-UHFFFAOYSA-N 353.325 4.000 0 40 FIAB Cc1ccc(C)c(C(=O)COC(=O)/C=C/c2ccc(Br)o2)c1 6066079 PMARZUKWVXBQHC-SOFGYWHQSA-N 363.207 4.098 0 40 FIAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nn12 6320507 FHYQBZKGXFCCFE-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 6542212 YQFFHNAPRMNYSF-JTQLQIEISA-N 355.809 4.312 0 40 FIAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 6623792 YLEGXMOXAJOFDW-JOCHJYFZSA-N 374.465 4.321 0 40 FIAB biogenic CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3CC)CC2=O)cc1 6881003 JOYULJRTGBNYPU-KRWDZBQOSA-N 366.461 4.029 0 40 FIAB CSCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6983577 OQTDEPNPUWQNKU-OAHLLOKOSA-N 358.894 4.432 0 40 FIAB C[C@H](NC(=O)[C@@H](C)Sc1nncs1)c1ccc(Cl)cc1Cl 7195064 KHYRYFCECOGJOJ-JGVFFNPUSA-N 362.307 4.203 0 40 FIAB COc1cccc(Nc2nc(Nc3ccc(C)cc3C)c3cnn(C)c3n2)c1 7448176 JXYBWPRMPXRWKO-UHFFFAOYSA-N 374.448 4.476 0 40 FIAB CC(=O)c1sc(NC(=O)c2ccccc2COc2ccccc2)nc1C 7783266 WOELPIPWJABXPK-UHFFFAOYSA-N 366.442 4.485 0 40 FIAB Cn1cccc1/C=C/C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 7984471 YTDHAAIQWNJWRM-BUHFOSPRSA-N 360.413 4.034 0 40 FIAB COc1ccc(Cl)cc1C(=O)/N=c1\sc(C)c(-c2ccccc2)n1C 8332406 VPJQCEYOCKRDJC-VZCXRCSSSA-N 372.877 4.465 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 8704538 GNLZGVHBJSZJJZ-INIZCTEOSA-N 359.425 4.417 0 40 FIAB COc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 10542687 BLOBZWBBHYWHPO-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB CCCCCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 11565935 NKZVARBDCOPIJP-UHFFFAOYSA-N 359.919 4.474 0 40 FIAB CC(C)N(C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21)C(C)C 11692528 IOSVOTCVJFXJOK-UHFFFAOYSA-N 370.541 4.058 0 40 FIAB CC(C)(C)Nc1c(C2CCN(C(=O)C(C)(C)C)CC2)nc2ccccn12 12087440 HJDKMJOSKLMLEU-UHFFFAOYSA-N 356.514 4.297 0 40 FIAB CN(C)c1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1 12188074 HXAKEWPOXKWBCR-HXUWFJFHSA-N 359.473 4.321 0 40 FIAB CC[C@@H](NC(=O)c1cc(-c2cccs2)no1)c1c(C)nn(CC)c1C 12195469 CGTNSFNXPBIQEM-CYBMUJFWSA-N 358.467 4.117 0 40 FIAB CCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CC 12321126 JMVHWSUKOBPEPZ-UHFFFAOYSA-N 362.495 4.086 0 40 FIAB O=c1c2ccccc2[nH]c(=S)n1CCCc1nc2ccccc2s1 12534433 SCKWFJPQQGFMTD-UHFFFAOYSA-N 353.472 4.302 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 12770890 IHOZVOBZJYBCHS-LJQANCHMSA-N 365.429 4.153 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@@H](C)c1ccccc1 13002105 BDSVXTFEGUMQFE-KRWDZBQOSA-N 362.477 4.121 0 40 FIAB O=S(=O)(NCC1(c2cccs2)CCCC1)c1ccccc1Cl 13804418 CYOIKSGIBGUUMC-UHFFFAOYSA-N 355.912 4.192 0 40 FIAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@@H](c3ccccc3)C2=O)cc1 15413350 RSUJQINVBHFEAY-QHCPKHFHSA-N 370.452 4.425 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1F 16789416 RWWZFZDABSLTQQ-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccc(OC)cc2)s1 17252440 VICGVWLEQDQXQC-MRXNPFEDSA-N 353.447 4.341 0 40 FIAB Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)CC2CCCCC2)on1 19121269 FKWTXIBWRLSIQI-GOSISDBHSA-N 370.497 4.408 0 40 FIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(c2cc3ncccc3[nH]2)CC1 19345329 YRBDWMAKESTNJG-UHFFFAOYSA-N 362.408 4.203 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 19828002 HEGIDCRPASIPCA-NJPWYCGFSA-N 366.892 4.211 0 40 FIAB CC(C)Cc1noc(COC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 22525800 HLHXTKIELVZMKQ-GQCTYLIASA-N 355.221 4.332 0 40 FIAB Cc1c([C@@H](C)NC(=O)c2cccnc2)cnn1-c1cccc(C(F)(F)F)c1 22989938 LIUOGLHSZSXULZ-GFCCVEGCSA-N 374.366 4.086 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 24925932 JJTOECJSDGLZJE-UHFFFAOYSA-N 361.445 4.486 0 40 FIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NOCc3ccccc3)c12 25039062 QCZPGBFESPWUNY-UHFFFAOYSA-N 359.385 4.060 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc2ccccc2c1 27322631 ANOQGYOFBFTXMC-HNNXBMFYSA-N 367.470 4.124 0 40 FIAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 30757879 YTRNLUQZDRBTQQ-JTQLQIEISA-N 362.253 4.313 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cccc(Oc2ncccn2)c1 32026672 DDHHFAHIXLRCKV-UHFFFAOYSA-N 373.334 4.469 0 40 FIAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N3CCC[C@@H](C)C3)c(N)c12 32117834 JXDXAZNUMHFZRG-MRVPVSSYSA-N 357.401 4.078 0 40 FIAB CC(=O)N[C@@H](C)c1ccc(C(=O)COc2cccc(Cl)c2Cl)cc1 32170709 DWXDFPLUKGTLGN-NSHDSACASA-N 366.244 4.452 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1F 33019702 DIUPMQDGCOPAAU-GFCCVEGCSA-N 353.846 4.155 0 40 FIAB CCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)c(C)n1 36618570 IFNHLHNEIJFMOR-UHFFFAOYSA-N 353.392 4.432 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(F)cc1 40119747 KFWCAFBBRHHBMM-UHFFFAOYSA-N 371.843 4.141 0 40 FIAB Cc1cc(C(=O)c2ccccc2I)ccc1Cl 43210108 HMDGQQYBTATBRU-UHFFFAOYSA-N 356.590 4.484 0 40 FIAB Cc1nc2sccn2c1CN(CCCn1ccnc1)C[C@@H]1CC=CCC1 43277740 MGFONALXWQVBNE-GOSISDBHSA-N 369.538 4.149 0 40 FIAB Fc1ccc(C(F)(F)F)cc1-c1nn2c(-c3ccccn3)nnc2s1 61722054 AUVIBLZXGNPGJR-UHFFFAOYSA-N 365.315 4.073 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 64334196 GEPAAGSGSGUKEN-GFCCVEGCSA-N 358.492 4.486 0 40 FIAB COc1ccc(-c2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)cc1 72350080 BOJHEGJNVAJHBZ-GOSISDBHSA-N 352.478 4.116 0 40 FIAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Cl)cc1 84711561 RMKMVHHRHCQJPO-UHFFFAOYSA-N 361.898 4.347 0 40 FIAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1Cl 85397509 RJXRBEUJDIJIHM-UHFFFAOYSA-N 374.849 4.411 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1 95482199 BTJGVPGUAXYXKB-VQHVLOKHSA-N 374.227 4.373 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccco1 223472637 UMRXQGURXGOZOQ-HXUWFJFHSA-N 373.518 4.365 0 40 FIAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 223852128 CAKPDEIPFHGYDI-LLVKDONJSA-N 368.326 4.497 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(SCC(C)C)s1 224549272 CENAQQCUXUXXFG-CYBMUJFWSA-N 351.497 4.082 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCCCc1cccc(OC(C)C)c1 225039649 XMERFAOLIBHIES-UHFFFAOYSA-N 361.869 4.498 0 40 FIAB O=C(NCCSCc1ccco1)c1cc(Br)ccc1Cl 225068956 NERLSZCPJFWJBR-UHFFFAOYSA-N 374.687 4.359 0 40 FIAB CN(C)S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 226859595 UOXLBGRLHXADEJ-UHFFFAOYSA-N 361.250 4.004 0 40 FIAB CSc1ccccc1C(=O)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238838383 HGPKIPOWTRUKOO-GFCCVEGCSA-N 371.487 4.150 0 40 FIAB CCn1ccc2cc(C[C@H]3CCCN(C(=O)C4CCCC4)CC3)cnc21 257287328 PPMPXTMAJYJLJF-KRWDZBQOSA-N 353.510 4.418 0 40 FIAB O=C(c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257318791 VPJNJVHOWRKGHV-MRXNPFEDSA-N 371.437 4.228 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2Cc2cncs2)n1 257327382 XBCTXKPYJHCLLO-KRWDZBQOSA-N 366.494 4.026 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257328878 XHLJUCZMHYIECE-SFHVURJKSA-N 367.836 4.291 0 40 FIAB Cc1cc(C(=O)[C@H](Br)CBr)cc(C)c1Cl 382711722 ZHPFFDXGNJHAFI-SECBINFHSA-N 354.469 4.298 0 40 FIAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 408707765 DWUPBNHTLIVMCN-UHFFFAOYSA-N 370.415 4.365 0 40 FIAB O=S(=O)(NCc1ccc(-c2cccs2)o1)c1ccccc1Cl 575609143 PTSZVGLBPGAXNL-UHFFFAOYSA-N 353.852 4.140 0 40 FIAB Cc1ccn(C)c1C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 682821618 BLWYQOBLGPRDLL-GOSISDBHSA-N 366.440 4.230 0 40 FIAB C[C@@]1(C(=O)Nc2ccc(Cl)cc2Cl)Cc2ccccc2C(=O)O1 818837 LRHQGOIDRZXSNK-KRWDZBQOSA-N 350.201 4.104 0 40 FIAB NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCC2 841594 UTVMADIOAWRZSQ-UHFFFAOYSA-N 369.273 4.285 0 40 FIAB Cc1cc(NC(=O)COc2ccccc2)ccc1-c1nc2ncccc2o1 1085424 ZAFHAHSSQGDOKC-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB O=c1c2ccccc2nc2n1[C@@H](CSc1ccccc1Cl)CS2 1405466 PYQUNHLTYFAPLB-NSHDSACASA-N 360.891 4.489 0 40 FIAB CCc1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc1 1426486 BAVGRMOOFQAWAT-UHFFFAOYSA-N 362.458 4.361 0 40 FIAB CCC(=O)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 2322091 YZCLAPFRKDBKBO-UHFFFAOYSA-N 351.383 4.385 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cccc(Br)c1 2497672 NZZJGAKXABFRTD-UHFFFAOYSA-N 374.259 4.311 0 40 FIAB COc1cccc(OC)c1-c1nnc(-c2cc(Cl)nc(Cl)c2)o1 2582881 GFGWTBYJAOIXIH-UHFFFAOYSA-N 352.177 4.123 0 40 FIAB Cc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)c(C)c1 2723636 SWSQUCKRGQETKM-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB Cc1ccc(C(=O)NC(=S)/C=C2\N(C)c3ccccc3C2(C)C)cc1 3166223 BPPMZZJWWGRVAP-AQTBWJFISA-N 350.487 4.364 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc2ccccc2c1 3414185 JEAQZLFWUSTQDY-UHFFFAOYSA-N 352.821 4.204 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 3556053 UVIZKJRMRCUXCF-UHFFFAOYSA-N 361.825 4.231 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 4026876 JTZTZZVWEJMKLI-ZBVDZRMISA-N 374.521 4.012 0 40 FIAB biogenic COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C(C)=O)cc1 4176832 ASUBGPJYTLVIKC-UHFFFAOYSA-N 353.399 4.143 0 40 FIAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1C 4305063 SWGINJUYBDWJJN-NRFANRHFSA-N 360.457 4.430 0 40 FIAB Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)c1C 4554715 LZDKDWWHGPCWRC-QHCPKHFHSA-N 365.473 4.136 0 40 FIAB CCCCN(CCCC)C(=O)c1ccc(OC(=O)OCC)c(OC)c1 4683184 HGZIOVHZTSFBJI-UHFFFAOYSA-N 351.443 4.273 0 40 FIAB CC[C@H]1CN1P(=O)(Oc1ccc(Br)cc1)N1C[C@@H]1CC 4802632 JIMULZLKHUNTGL-YQQSWPFXSA-N 359.204 4.124 0 40 FIAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 5171614 ZQUUPDAECNFHBY-KRWDZBQOSA-N 368.440 4.425 0 40 FIAB O=C(CSC(=S)N1CCCC1)Nc1ccccc1Cc1ccccc1 5340382 YTJFMLFXMJVWDO-UHFFFAOYSA-N 370.543 4.330 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1C 6477977 VYBLBNONTDRXFA-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 6747702 NUEGDBQNHOELSR-AWEZNQCLSA-N 351.406 4.013 0 40 FIAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 7078239 HKMZRSPJJWFFCQ-UOEVCUDDSA-N 364.445 4.265 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(NCC(C)C)s2)c(Cl)c1 7249470 UEAGWZJVEYPXJZ-UHFFFAOYSA-N 370.931 4.299 0 40 FIAB Cc1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1F 7615744 QDMZFMYYSMJWLL-UHFFFAOYSA-N 369.787 4.394 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 7653269 OMPRKLVCTCJHBA-KRWDZBQOSA-N 370.880 4.198 0 40 FIAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882013 UVEBCZPRQIJIHK-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB COc1ccc(C(=O)NCc2ccccc2CN2CCCC2)c2ccccc12 8076466 BMITXONIMMCTQS-UHFFFAOYSA-N 374.484 4.374 0 40 FIAB CCOc1ccc(CNC(=O)CSc2ccc(C)cc2)cc1OCC 8478845 ZTDXJTUUMRLHLZ-UHFFFAOYSA-N 359.491 4.201 0 40 FIAB Cc1nc2c(=O)n([C@@H](C)c3ccccc3)nc(-c3cccs3)c2s1 8956028 WXGYLBWKJFZJMO-NSHDSACASA-N 353.472 4.499 0 40 FIAB O=C(c1cc(-c2csc(COc3ccc(F)cc3)n2)c[nH]1)N1CCCC1 9256850 DLRYZNOGSCVZNA-UHFFFAOYSA-N 371.437 4.092 0 40 FIAB Cc1cc(C(=O)CCC(=O)Nc2ccc3c(c2)OCCCO3)c(C)s1 9337272 JBRRQLVTFWZQMJ-UHFFFAOYSA-N 359.447 4.128 0 40 FIAB C[C@H]1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCO1 9854194 LLMZVSFXKYIXAD-HNNXBMFYSA-N 361.526 4.167 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 10684244 YGAJRIMODPVFTQ-ZIAGYGMSSA-N 374.868 4.274 0 40 FIAB Cc1ccc(C(=O)N2CCc3sccc3C2)cc1NC(=O)c1ccco1 10885830 GFUCBYJDHTXDHO-UHFFFAOYSA-N 366.442 4.100 0 40 FIAB Clc1ccc(-c2noc(CSc3ncn(-c4ccccc4)n3)n2)cc1 11476913 LVWVIKUQHHNIQC-UHFFFAOYSA-N 369.837 4.263 0 40 FIAB Cc1ccccc1COC(=O)CNC(=O)c1sc2ccccc2c1Cl 11499660 GIZSXXAQSAGQPY-UHFFFAOYSA-N 373.861 4.336 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCC)cc1 12062638 FGDWGPCNSVHXHP-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB Cc1cc(C)nc(Oc2ccc(NC(=O)CCOc3ccccc3)cc2)n1 12090131 MDGUFAVRWQESRV-UHFFFAOYSA-N 363.417 4.293 0 40 FIAB CSc1nnc(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)s1 12552706 PKJATRKYVQDGBX-VIFPVBQESA-N 350.494 4.472 0 40 FIAB COc1cc(C)c(NC(=O)c2csc(-c3ccsc3)n2)cc1OC 12773926 HSDJJCHYNCQIPY-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccccc1C(F)(F)F 12855029 HSAOKHYEXFCGRR-ZDUSSCGKSA-N 373.421 4.221 0 40 FIAB COc1cccc(-c2nc(C(=O)N[C@H](C)c3ccccc3)cs2)c1OC 12944299 KHEADPKSTSPVQQ-CYBMUJFWSA-N 368.458 4.318 0 40 FIAB Cc1cc(C)c(NC(=O)CCN2C(=O)CSc3ccccc32)c(C)c1 12984417 VBRJWWBNHUNLMY-UHFFFAOYSA-N 354.475 4.079 0 40 FIAB CC[C@@H]1c2ccsc2CCN1Cc1nc(COc2ccc(F)cc2)no1 14249533 OQWWKWHFQLSLBT-MRXNPFEDSA-N 373.453 4.359 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14396276 NVRMFEHMFZWDBD-AWEZNQCLSA-N 374.868 4.276 0 40 FIAB O=C(Cn1cnc2ccccc2c1=O)Oc1ccc(C2CCCCC2)cc1 14602368 DBTWAEYFERQWKW-UHFFFAOYSA-N 362.429 4.050 0 40 FIAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1cccs1)C3 14607713 HSFSGGALYFBFFQ-CQSZACIVSA-N 360.442 4.074 0 40 FIAB Cc1ccc2oc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cc(=O)c2c1 17361040 BNBBAXGQSWPTIQ-UHFFFAOYSA-N 351.402 4.357 0 40 FIAB COc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1OC 19568129 RBMTXDIUEFCTNZ-HNNXBMFYSA-N 360.504 4.295 0 40 FIAB Cc1ccc(C)c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 21209304 DQKYDRDGQFUYCQ-UHFFFAOYSA-N 363.417 4.470 0 40 FIAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(C)Cc1ccccc1 22461513 XJVLVNNZWUDMCS-UHFFFAOYSA-N 370.449 4.442 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2ccco2)cc1 24021773 USSMFOATHZVTNT-UHFFFAOYSA-N 364.401 4.112 0 40 FIAB Cc1cc(C(=O)CN2CC=C(c3ccc(O)cc3)CC2)c(C)n1C1CC1 25680229 QFBGFDPYLUVOQU-UHFFFAOYSA-N 350.462 4.117 0 40 FIAB Cc1ccc(C)c(-n2ccnc2SCC(=O)c2ccc3c(c2)OCO3)c1 26047482 UHRCBJZGTBABRC-UHFFFAOYSA-N 366.442 4.193 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCC(CCN3CCCCC3)CC2)cc1 27994716 NQCHHJXDXHVVHS-UHFFFAOYSA-N 358.526 4.202 0 40 FIAB C[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 29328354 JHBBRFPFADGYCM-KDOFPFPSSA-N 368.868 4.223 0 40 FIAB CC(=O)c1ccc(C(=O)NCc2ccc(CN3CCC(C)CC3)cc2)s1 29358422 ONHLOPCWPHVVSK-UHFFFAOYSA-N 370.518 4.113 0 40 FIAB COC(=O)c1cc(NC(=O)CCCOc2ccc(C)cc2)ccc1Cl 31056818 SHZWYGQYXJERFU-UHFFFAOYSA-N 361.825 4.233 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 31710707 DOGJHALCCMTBIH-RDJZCZTQSA-N 368.477 4.238 0 40 FIAB O=C(CNCc1ccccc1Cl)NC(c1ccccc1)c1ccccc1 35311549 DBHAAEBPNJFSAN-UHFFFAOYSA-N 364.876 4.335 0 40 FIAB CCCc1ccc(C(=O)c2ccc(I)cc2)cc1 37356992 KNWLLJWWNVLQOK-UHFFFAOYSA-N 350.199 4.475 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(F)c1 38500943 GXXKOLOGKRIALH-UHFFFAOYSA-N 357.360 4.192 0 40 FIAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)N1CCc2[nH]c3ccccc3c2C1 40104166 BSCBWLPQLXYQBF-UHFFFAOYSA-N 371.343 4.080 0 40 FIAB O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)[C@@H]1CC=CCC1 40145788 UMCJASGAIXHILQ-MRXNPFEDSA-N 351.402 4.289 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NC[C@@H]3CCN(C)c4ccccc43)cc2c1 40157080 SSHYKTPCMPFXPN-KRWDZBQOSA-N 359.473 4.205 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1cc2ccccc2o1 43668780 WSAZHKMQJZAURX-LBPRGKRZSA-N 367.405 4.283 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3C)n[nH]2)cc1 51315439 NWQOQXNYZDAEEG-UHFFFAOYSA-N 351.406 4.045 0 40 FIAB CC(C)(C)c1nnc(NC(=O)c2ccccc2Oc2cccnc2)s1 51983095 KYLSQMDUDVIURI-UHFFFAOYSA-N 354.435 4.275 0 40 FIAB COC(=O)c1c(CN2CCC[C@H](C(F)(F)F)C2)nc2ccccc2c1C 57332192 LJHRCDLWFFUUQL-ZDUSSCGKSA-N 366.383 4.104 0 40 FIAB CC(C)(C)c1cc(NC(=O)CNC(c2ccccc2)c2ccccc2)on1 57347104 HQWNTOBWIIDPME-UHFFFAOYSA-N 363.461 4.290 0 40 FIAB CCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(F)c(F)c2)c1C 58178271 NOJQSJVMGZMWNO-UHFFFAOYSA-N 361.392 4.062 0 40 FIAB O=C(Nc1nnc(SCc2cccc3ccccc23)s1)[C@@H]1CCCO1 61997265 AVEMCGPQAXPSSV-HNNXBMFYSA-N 371.487 4.101 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H]3C[C@H](C)CC[C@H]32)cc1 63113276 UDAJUNSCCRSBHQ-YVWKXTFCSA-N 357.494 4.475 0 40 FIAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 67210407 SJEFRNKYNQEGNJ-QRVBRYPASA-N 359.828 4.183 0 40 FIAB Cc1cccn2cc(-c3ccc(NC(=O)Cc4ccccc4O)cc3)nc12 69770789 WTFZGORSQMVSOZ-UHFFFAOYSA-N 357.413 4.197 0 40 FIAB CCCOc1ccc(CNC(=O)c2ccc(OCC)c(OCC)c2)cc1 71963605 WDWGXZUBLFBYDG-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB Cc1cc(-n2cnnc2)cc2nc(Cc3ccc(Br)cc3)oc12 73639400 ULAZEPYAONYCGP-UHFFFAOYSA-N 369.222 4.070 0 40 FIAB Cc1nc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)sc1C 75110941 CURKYHOJPXGCAN-DLBZAZTESA-N 367.478 4.007 0 40 FIAB O=C(c1ccsc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177497 GDXAHLOPBCLZPU-GFCCVEGCSA-N 373.478 4.426 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2[nH]ccc2c1 79488394 YATHAQGYJNIJLA-UHFFFAOYSA-N 366.808 4.443 0 40 FIAB Cc1nc2ccccc2nc1NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 84057664 DETGPLJKMGUSTC-AWEZNQCLSA-N 354.404 4.155 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2cnc3n2CCC3)cc1 85556826 MSKSXCDOZVBOSL-UHFFFAOYSA-N 367.836 4.167 0 40 FIAB O=C(Nc1cccc(-c2ncco2)c1)c1ccc2[nH]c(C(F)F)nc2c1 89780573 ANJZIFWMOYENRQ-UHFFFAOYSA-N 354.316 4.408 0 40 FIAB O=C(Nc1nc(C2CC2)cs1)N1CCC(Nc2ccc(F)cc2)CC1 95377561 KOOLAVJVJIOORR-UHFFFAOYSA-N 360.458 4.268 0 40 FIAB Cc1occc1C(=O)N1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110289 BFPVNEUUCBXBBT-PZJWPPBQSA-N 353.462 4.088 0 40 FIAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Br)cc1)n2C 100812004 APCKQKJGWGEYLM-FBMGVBCBSA-N 361.264 4.052 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3)o2)c(OC)c1 224867141 VRZFAXYGFZDWHI-UHFFFAOYSA-N 370.380 4.069 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccccc3)ccc21 225166691 DXBLPBRWTDTJDG-CYBMUJFWSA-N 356.447 4.050 0 40 FIAB COC(=O)c1cccc(NC(=S)NC2(c3ccccc3)CCCC2)c1 225862611 XAWOBDDLRRPDDS-UHFFFAOYSA-N 354.475 4.229 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCC1 260814503 JTDVTPKAIMVXIK-GOSISDBHSA-N 374.525 4.228 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)cc3)C(=O)[C@H]2C1 408679191 GHLZQVOTLNOMMR-HKUYNNGSSA-N 374.440 4.093 0 40 FIAB O=C(NC1CC1)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1 570199176 PCNNRPMEJWWSNC-UHFFFAOYSA-N 373.334 4.315 0 40 FIAB Cc1cc(N2C[C@@H](c3ccccc3C)OC[C@H]2C)nc(-c2ccccn2)n1 674066554 QGBAFLKAZAZQJP-XLIONFOSSA-N 360.461 4.122 0 40 FIAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccccc2)c1=O 2436406 CDBFOWHOXWJPRF-UHFFFAOYSA-N 371.396 4.053 0 40 FIAB Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F 2438665 YFGZECOPUKOPJQ-UHFFFAOYSA-N 368.359 4.109 0 40 FIAB CCCn1c2ccccc2c2nnc(SCC(=O)c3ccccc3)nc21 1426337 AZRMAYOATOZPPU-UHFFFAOYSA-N 362.458 4.365 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 4171440 GCDWWUOFZOLHJV-FQEVSTJZSA-N 363.461 4.385 0 40 FIAB CN(C)[C@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccc(F)c1 32729109 AJKVBORJGPJCEO-MRXNPFEDSA-N 360.429 4.212 0 40 FIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c12 29516628 AYEBJCXNBIJHLY-STQMWFEESA-N 368.506 4.123 0 40 FIAB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C/C=C/c1ccccc1 8621476 WFGVLDKZWCOWTI-JLHYYAGUSA-N 368.436 4.195 0 40 FIAB O=C(Nc1ccc(F)cc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 32826257 KYWAPQMGMFEWPZ-IBGZPJMESA-N 364.424 4.270 0 40 FIAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(Cl)cc2)cc1C 10641904 SLSOCPUJIVYNCO-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB c1ccc(-c2csc3ncnc(N[C@H]4CCN5CCCC[C@@H]45)c23)cc1 32932664 SBUYOVDDXFAHBK-IRXDYDNUSA-N 350.491 4.397 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc2oc(C3CC3)nc2c1 103143401 GBSQFNJJVNVOMW-CFYSCFQDSA-N 366.461 4.365 0 40 FIAB COc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1OC 33466831 QRVSFYSQXRHHSS-RAXLEYEMSA-N 368.820 4.011 0 40 FIAB Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc1 900583 ZHOQRBXDTBEPNL-LSDHHAIUSA-N 362.424 4.083 0 40 FIAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccccc1 20492081 YVOGPWKKUIAUKD-OAQYLSRUSA-N 369.461 4.343 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)N1CCc2ccccc21 8133978 HIGYNHOOMUIOPA-GOSISDBHSA-N 363.505 4.457 0 40 FIAB CC(C)c1noc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 42742938 AXDWPWWJMHDQIO-UHFFFAOYSA-N 360.845 4.367 0 40 FIAB Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 24931385 SVRJBVJWWISKFH-OAQYLSRUSA-N 359.473 4.356 0 40 FIAB CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 55637191 PQKBVMVTLISGOI-HXUWFJFHSA-N 371.525 4.043 0 40 FIAB O=C(CSc1ccncc1)N1CCC[C@@H]1c1nc2ccccc2s1 8131814 FREQELOCQJENEC-OAHLLOKOSA-N 355.488 4.147 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)[nH]2)c1 108056307 LENCXTMHQXZGIV-UHFFFAOYSA-N 352.463 4.128 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 103717858 UDVHJBUGUJZWKV-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB COc1ccc(CN(c2ncnc3sc4c(c23)CCC4)C2CC2)cc1 26759368 VLYRXSOVURMCLV-UHFFFAOYSA-N 351.475 4.358 0 40 FIAB CCn1cc(C(=O)Nc2ccccc2SC)c(=O)c2cc(OC)ccc21 22235967 XJJBIGYMSNZZDX-UHFFFAOYSA-N 368.458 4.004 0 40 FIAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(C)cc3)n2)cc1OC 27994131 CNJSIVUYSMDSEE-UHFFFAOYSA-N 369.446 4.173 0 40 FIAB Cc1ccc(S(=O)(=O)NCC[C@@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 2264357 WQDAGZWGDLOAFT-HKUYNNGSSA-N 367.555 4.141 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c1 10641749 ZWMSMOSKRHTMJY-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NC[C@@H]4COc5ccccc5O4)c23)C1 3342405 XQOXACURCVNSFE-CHWSQXEVSA-N 367.474 4.068 0 40 FIAB CSCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12776522 VKJCBHCVTOCQNG-SFHVURJKSA-N 369.486 4.298 0 40 FIAB CC(=O)Nc1cccc(CNC(=O)[C@H](C)Sc2ccccc2Cl)c1 48356103 CGMXXMBRMLZJMN-LBPRGKRZSA-N 362.882 4.095 0 40 FIAB Cc1cccc(OCCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 12847581 HIUWIHBOIJOLCY-UHFFFAOYSA-N 364.445 4.311 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C 8269447 BWLWBVIXBAQCOS-UHFFFAOYSA-N 354.406 4.128 0 40 FIAB COc1ccccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3406680 FTJYPNVTQRUYAR-UHFFFAOYSA-N 358.747 4.418 0 40 FIAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)c2cc(C)ccc2C)cc1OC 3435383 PLSVBZDUYDKNDZ-HNNXBMFYSA-N 356.418 4.139 0 40 FIAB COc1ccc(C(=O)OCc2ccc(Oc3cccnc3)cc2)cc1OC 62639874 PGXZTIIVTDNRDH-UHFFFAOYSA-N 365.385 4.248 0 40 FIAB CCOc1cccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 22522429 KNGBRSLKGNRRBW-UHFFFAOYSA-N 366.505 4.247 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(SC(F)F)cc1)c1cccc(F)c1 12952826 VNRHUKKBWXPUJN-MRXNPFEDSA-N 368.424 4.173 0 40 FIAB O=C(NCc1cccs1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 8277738 GHEFWOHAUVVWAX-LJQANCHMSA-N 363.438 4.132 0 40 FIAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1c1cccc(Cl)c1 70036982 KTUWBWUNVMHASP-VQIMIIECSA-N 368.864 4.057 0 40 FIAB O=C(Nc1nnc(C(F)(F)F)s1)Nc1ccccc1C(F)(F)F 28227332 RZYNOLICMBVSLI-UHFFFAOYSA-N 356.251 4.220 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)Sc1ccc(O)cc1 64038601 IMBMRCWIKMMMHN-HNNXBMFYSA-N 367.474 4.314 0 40 FIAB O=c1c2ccccc2nc2sc(Cc3c(Cl)cccc3Cl)nn12 17074500 RXESTCHJAXDYIF-UHFFFAOYSA-N 362.241 4.202 0 40 FIAB CC(=O)c1c(C)cc(C)c(CNc2ccccc2SCC(N)=O)c1C 39533271 RUOYIEAQPGBHDX-UHFFFAOYSA-N 356.491 4.004 0 40 FIAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccc(F)cc2)cc(OC)c1OC 14188302 JBEQEXDSDQUTLT-JBNJFFQFSA-N 373.424 4.084 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1csc(-c2cccs2)n1 14231553 GNBHFHSYLFOIGF-CQSZACIVSA-N 373.503 4.032 0 40 FIAB CC(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1Cl 5545968 VQNAFHABEDRPCU-UHFFFAOYSA-N 369.896 4.443 0 40 FIAB Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1 4734331 BKCSSGTZYBFZKT-UHFFFAOYSA-N 358.401 4.220 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)n2c(nc3ccccc32)N1 4735614 HHNNFPZCYAJSGF-IBGZPJMESA-N 365.408 4.416 0 40 FIAB CC(C)(C)c1cc(C(=O)O)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 66263052 BSRFCMMJUFQEOX-UHFFFAOYSA-N 358.423 4.264 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 6747705 NUEGDBQNHOELSR-CQSZACIVSA-N 351.406 4.013 0 40 FIAB CCOC(=O)Nc1cccc(C(=O)NCc2cccc(C(F)(F)F)c2)c1 14890876 SFGANESECQNGPA-UHFFFAOYSA-N 366.339 4.204 0 40 FIAB COc1ccc([S@@](=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1C 5721602 JLTKVONZULWTDU-DEOSSOPVSA-N 359.369 4.166 0 40 FIAB O=C(O)c1cccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)c1 4834664 APJOSIGSDGFGPD-BUHFOSPRSA-N 368.392 4.254 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2NC1=O 15439692 QVTSPPNPVJGUTK-LLVKDONJSA-N 360.866 4.045 0 40 FIAB O=S(=O)(Nc1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 7402048 OTARCWZSWKFHKL-UHFFFAOYSA-N 351.733 4.039 0 40 FIAB COc1ccccc1-c1c(C(C)C)nc2nc(-c3ccccc3)nn2c1N 20638533 ZCIOIKBMSQTVII-UHFFFAOYSA-N 359.433 4.173 0 40 FIAB COc1ccc(NC(=O)[C@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)cc1 9195275 AVEYXRVIINLYAM-LBXVMSDZSA-N 374.525 4.237 0 40 FIAB CC(=O)c1cccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 170580243 ORQHQZHLXJLUNO-UHFFFAOYSA-N 360.417 4.292 0 40 FIAB CC(C)Cn1ccc2cc(NC(=O)c3ncoc3[C@@H]3CCCO3)ccc21 78730994 QNIZFCYFKHKPCO-KRWDZBQOSA-N 353.422 4.389 0 40 FIAB CC(C)C[C@@H](CCO)CNC(=O)CC(c1ccccc1)c1ccccc1 75092715 AQFNDPZPKABIHU-LJQANCHMSA-N 353.506 4.370 0 40 FIAB COc1cccc(Nc2nnc(SCCc3c(C)noc3C)s2)c1 89529249 JEDFDZUTQHGLGF-UHFFFAOYSA-N 362.480 4.230 0 40 FIAB O=C(CSCc1csc(-c2ccc(F)cc2)n1)NCc1ccccc1 32778862 VEQRMMXPKWFRDX-UHFFFAOYSA-N 372.490 4.499 0 40 FIAB COCCN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 409131400 JFJQNMYEUACJGK-XNTDXEJSSA-N 363.822 4.283 0 40 FIAB CC(C)c1nnc(C2CCN(C(=O)/C=C/c3ccccc3Cl)CC2)o1 38518107 WIWQXIQCGYAKOI-BQYQJAHWSA-N 359.857 4.266 0 40 FIAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1cccnc1Cl 32071024 XYYPIRGYVMPZEY-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB CCn1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c2ccccc21 39556836 ZFXXAWLYZCWQOQ-UYRXBGFRSA-N 361.470 4.266 0 40 FIAB C[C@@]1(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC1(Cl)Cl 31128018 CXGFNBORPZZXGE-ZBEGNZNMSA-N 353.249 4.118 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)COc1ccccc1C 219330357 HDIAODPMFBHMDC-QUCCMNQESA-N 355.478 4.353 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1 32740739 ZOQBJEXPYFNIRK-UHFFFAOYSA-N 372.223 4.422 0 40 FIAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2C=O)cn1 72215789 BWHMLFNBYKJTEJ-SFHVURJKSA-N 367.449 4.448 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1O 214354862 MLWGZMNGBRDWHR-LICLKQGHSA-N 373.405 4.167 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219327003 CESKRBUURUCECC-ZWKOTPCHSA-N 357.425 4.402 0 40 FIAB Cc1cccc(Cc2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)c1 72350092 MQFIYNRMSUNOOU-FQEVSTJZSA-N 350.506 4.339 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)CCCC2 225634295 UGMHZEICQCVGOS-UHFFFAOYSA-N 362.473 4.444 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225799547 XVKWPMNIVNVQAI-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB O=C1CCCN1c1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cc1 225461362 NQFORFIRNJAIFJ-LJQANCHMSA-N 365.502 4.177 0 40 FIAB CC[C@@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc2c(c1)CCCC2 223023100 LVEUPFYOVFBUFX-OAQYLSRUSA-N 353.462 4.464 0 40 FIAB Fc1cc2c(cc1Cl)[C@@H](NCCc1nnc(-c3ccccc3)o1)CC2 527874717 FSNNZZCYSOWUOS-KRWDZBQOSA-N 357.816 4.349 0 40 FIAB O=C(Cc1cccc(Br)c1)NCc1cccc2ccccc12 222898887 HGAAEVSDUIDNFN-UHFFFAOYSA-N 354.247 4.461 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1cccc(Cl)c1 225738907 OOHVYPXJTNTIAK-CQSZACIVSA-N 359.926 4.468 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 44017566 XAZGRUJZRZGISG-MRXNPFEDSA-N 367.493 4.358 0 40 FIAB CCN(c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)CC 222395703 IRHIZWOAJLPSFR-UHFFFAOYSA-N 374.506 4.040 0 40 FIAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225568553 NZCDADRPCNCNCH-UHFFFAOYSA-N 372.490 4.122 0 40 FIAB CCCc1ccc(OCCNC(=O)c2ccc(OCC)c(OCC)c2)cc1 225066217 UWNJVFYAXLKTOX-UHFFFAOYSA-N 371.477 4.245 0 40 FIAB S=C(NCc1ccccc1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225929818 MIBWFPGCGUKFKJ-UHFFFAOYSA-N 370.865 4.409 0 40 FIAB COc1ccc(SCC2CCN(C(=O)Cc3cccs3)CC2)cc1 85472335 ZBAJHWQXYMNTET-UHFFFAOYSA-N 361.532 4.330 0 40 FIAB O=C(NCc1ccc(-c2ccncc2)cc1)NC[C@H]1CCc2ccccc21 606981921 OSBOTDSSHOHNBB-OAQYLSRUSA-N 357.457 4.278 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1F)c1cccc(Nc2ncccn2)c1 669934686 NOYVPNJKZVRJAC-UHFFFAOYSA-N 374.322 4.213 0 40 FIAB O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cc(C2CC2)[nH]n1 56979185 WIZKJLBKXKTPFT-UHFFFAOYSA-N 370.796 4.038 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCCCC2)cc1 5199488 CLBWKFJPCOJVMQ-UHFFFAOYSA-N 366.461 4.287 0 40 FIAB CC(=O)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 5584373 HZFNLWARVFXERY-UHFFFAOYSA-N 373.499 4.385 0 40 FIAB CCOc1ccccc1N1C(=S)N[C@@H]2C[C@@]1(C)Oc1c(OC)cccc12 12415812 ZLNREPOYLCCEAZ-JLTOFOAXSA-N 370.474 4.028 0 40 FIAB CC[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OC)cc1 12771025 CQXQBKNCKHEFDD-MRXNPFEDSA-N 366.230 4.478 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 14796228 HSWVOVVIGZWWCU-OXQOHEQNSA-N 368.477 4.319 0 40 FIAB Cc1ncsc1-c1nnc([C@@H]2CCCN2Cc2cccc(Cl)c2)o1 19563022 BUJVBMULGDWYAW-AWEZNQCLSA-N 360.870 4.492 0 40 FIAB CN(C)c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1 203454681 ITCAIJHMLWPWMJ-UHFFFAOYSA-N 353.491 4.377 0 40 FIAB CSCC1(CC(=O)N[C@H](CC(=O)O)c2cccc3ccccc23)CC1 593699016 YMPGBBZZUPWPHN-QGZVFWFLSA-N 357.475 4.005 0 40 FIAB Cc1cccc(-n2ccnc2SCC(=O)N2CCc3ccccc32)c1C 2468159 JIUREASVXFSXRX-UHFFFAOYSA-N 363.486 4.171 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1OC 575415669 NALPKTGCOVPRDA-SLZMIMFISA-N 365.429 4.211 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c3ncccc23)c(F)c1 40152684 VAJLUTRXHIICSH-UHFFFAOYSA-N 350.802 4.137 0 40 FIAB Cc1csc(NC(=O)CCCCCn2sc3ccccc3c2=O)n1 40266586 YOYLFNXHEAWGNH-UHFFFAOYSA-N 361.492 4.027 0 40 FIAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc2c(c1)OCO2 809546 UNECDUCQOWXMPG-UHFFFAOYSA-N 373.368 4.179 0 40 FIAB CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccccc1 850727 RYCLNNRJHLFXOK-ZDUSSCGKSA-N 353.513 4.004 0 40 FIAB Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1Cc1ccccc1 899782 LUKUSNIIVNDUFM-UHFFFAOYSA-N 372.881 4.019 0 40 FIAB Cc1cc(OCC(=O)NCc2ccco2)c(C(C)C)cc1Br 936074 GNMRARCFINJQLQ-UHFFFAOYSA-N 366.255 4.169 0 40 FIAB CC(C)(C)C1CCC2(CC1)NC(=S)N(c1nc3ccccc3s1)N2 1067812 DSSOOOVNLBRAPY-UHFFFAOYSA-N 360.552 4.428 0 40 FIAB COc1ccc([C@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 1090628 CZJONILYTNZJBE-MRXNPFEDSA-N 364.264 4.236 0 40 FIAB CCCn1c(SCC(=O)c2ccc(OCC)cc2)nnc1-c1ccco1 1364407 NHGPKLQBGNMTNI-UHFFFAOYSA-N 371.462 4.322 0 40 FIAB COc1ccccc1NC(=O)COC(=O)/C=C/c1cccc2ccccc12 2888708 HCBOYRLTLIYZMA-BUHFOSPRSA-N 361.397 4.044 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 3560920 PRJWKMWPGMOBAY-UHFFFAOYSA-N 369.339 4.174 0 40 FIAB COc1ccccc1C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 4220870 UBTLAJAARSLNOZ-UHFFFAOYSA-N 362.381 4.108 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2cccs2)o1 4330367 KTHHDGBYMTWWOQ-UHFFFAOYSA-N 370.217 4.122 0 40 FIAB CCOCc1nnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)s1 4704398 KKXMOFBURUKPHW-GHRIWEEISA-N 365.458 4.254 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccnc1 4909776 MXPVQRXMIBUNIQ-SFHVURJKSA-N 352.825 4.080 0 40 FIAB COCCn1cc(NC(=O)Nc2cccc(C(C)=O)c2)c2ccccc21 5266505 TWBHNBLRNDMUBQ-UHFFFAOYSA-N 351.406 4.134 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cccn(Cc2cccc(Cl)c2)c1=O 5270536 IUXRYBBPXMICKH-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(C(F)(F)F)cc1 5441712 RJKUZKUGHBUHTB-UHFFFAOYSA-N 362.351 4.475 0 40 FIAB Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(C)CC2)cc1 5498995 KSSDCPABXIYBGP-OAQYLSRUSA-N 361.489 4.269 0 40 FIAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S 6635795 DJGHCEWGIDTVEY-AYYGCFCKSA-N 363.504 4.094 0 40 FIAB Cc1ccc(Cl)c(OCC(=O)Nc2nc(-c3cccnc3)cs2)c1 6969401 RORGAEVPGSSBOR-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB O=C(c1ccc(Cl)cc1)c1ccc(OCC(=O)N2CCCCCC2)cc1 7035947 MFHBGZHSZGBUKC-UHFFFAOYSA-N 371.864 4.352 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1F 7167671 AMTADSLCMYAKLT-LLVKDONJSA-N 361.398 4.205 0 40 FIAB COc1cc(C(C)=O)ccc1OCc1cc(=O)oc2cc(C)c(C)cc12 7200972 BDLHOSFMFNUQOU-UHFFFAOYSA-N 352.386 4.200 0 40 FIAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 7945989 VASRSNJFVLNJPH-GOSISDBHSA-N 370.836 4.251 0 40 FIAB O=C(O)c1ccc(CSc2nnc(Nc3ccccc3F)s2)cc1 8848150 MKUJYPYQOLPFNO-UHFFFAOYSA-N 361.423 4.411 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)c3cc(Cl)ccc3OC)ccc21 9107124 VXGYOALVNAGNTH-UHFFFAOYSA-N 372.852 4.290 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OCC)cc3)ccc21 9107206 XEYQLNXTVWVELD-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)CCC4)ccc(F)c21 9549275 VXKKXEJLWHNWNA-GFCCVEGCSA-N 353.393 4.022 0 40 FIAB CCc1ccccc1NC(=S)N1CCN(c2cc(C)ccc2C)CC1 9877082 IMSHQXUIRIHGPU-UHFFFAOYSA-N 353.535 4.385 0 40 FIAB CCOc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccccc1 10254441 SPRBBAAFZMVKPE-UHFFFAOYSA-N 352.434 4.338 0 40 FIAB Cc1cccc(-c2nnn3c2nc(N2CCC[C@H](C)C2)c2ccccc23)c1 10433684 VXSMMTGUHKYNQY-INIZCTEOSA-N 357.461 4.489 0 40 FIAB O[C@]12CCCC[C@H]1C1(CCCCC1)NC(=S)N2Cc1ccc(F)cc1 12323508 NCYQTZQZSFZWFX-FXAWDEMLSA-N 362.514 4.098 0 40 FIAB CN(CCCNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 12593506 IVMBIEATTDKROY-UHFFFAOYSA-N 358.485 4.461 0 40 FIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@H](C)c1ccc(F)cc1F 12977503 CZJXQJVHGJIDLX-SNVBAGLBSA-N 364.417 4.174 0 40 FIAB COC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSC)s1 15193926 MGKBQFBYETZPPN-UHFFFAOYSA-N 361.444 4.396 0 40 FIAB CCCCc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 15428581 HKHGDJRSTNJURW-UHFFFAOYSA-N 365.882 4.338 0 40 FIAB O=C1CSc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2N1 15432233 LUAVOQPUJGJSAS-UHFFFAOYSA-N 353.230 4.290 0 40 FIAB CCCCSC1=NC(C)=C(C(=O)OCC)[C@@H](c2ccccc2)N1C(C)=O 16639375 ZXABNUQZRKGDFP-GOSISDBHSA-N 374.506 4.316 0 40 FIAB O=C1CCC[C@@H]2[C@H](C[C@H](c3ccccc3)N2Cc2cccc3ncccc23)N1 19712876 RKJWBOMGKCVCEM-YTFSRNRJSA-N 371.484 4.219 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)c(Cl)c1)cn2C 22237199 YWBWRFNMGOADJE-UHFFFAOYSA-N 370.836 4.151 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1ccc(F)cc1Cl 24199642 NNYPCTSADKFIKD-LJQANCHMSA-N 373.811 4.487 0 40 FIAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(Br)o1)CC3 25543427 VQZNUMXXEDJHIB-UHFFFAOYSA-N 359.223 4.030 0 40 FIAB COc1ccc(OC)c(C(=O)CSc2nc(-c3ccccc3)c[nH]2)c1 26128679 KTUDLWPXWHWQFD-UHFFFAOYSA-N 354.431 4.069 0 40 FIAB CCc1ccc(N(CC(=O)c2ccc(OC)cc2F)C2=NCCS2)cc1 26506070 PJTKOAQAYQGTOV-UHFFFAOYSA-N 372.465 4.189 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 27378159 GJHUNTQUIVIFSU-UHFFFAOYSA-N 368.477 4.213 0 40 FIAB CC(=O)N1C(C(=O)N(c2ccccc2)C(C)C)=CSc2ccccc21 27526345 MKBOOHWGXIPMKW-UHFFFAOYSA-N 352.459 4.428 0 40 FIAB Cc1cccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)c1C 27580612 IZYDVFJUUWJYMY-GOSISDBHSA-N 372.534 4.087 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 28296095 WNHZSBKZLOWWEK-SFHVURJKSA-N 369.852 4.028 0 40 FIAB COc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)nsc32)cc1 35324517 IMAGHGDSXSFNFZ-HNNXBMFYSA-N 354.406 4.432 0 40 FIAB Cc1ccc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)c(O)c1 36703973 ZKORMWYBHRHYNS-UHFFFAOYSA-N 353.447 4.452 0 40 FIAB Cc1ccc(C)c(NC(=S)Nc2ccc(F)c(N3CCCC3=O)c2)c1 36847098 HDFBOPMLORDTNC-UHFFFAOYSA-N 357.454 4.378 0 40 FIAB CCN(Cc1coc(-c2ccc(F)cc2)n1)C[C@@H]1COc2ccccc2O1 37162751 ZWVNHSAIKGXUNI-GOSISDBHSA-N 368.408 4.143 0 40 FIAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccncc2)cc1 38145183 VONUOVKRMBXJMQ-FQRUVTKNSA-N 374.421 4.091 0 40 FIAB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC[C@H]1c1ccsc1 40107776 PBTRRCLRPDRBNR-MOPGFXCFSA-N 357.475 4.283 0 40 FIAB O=C(NCCSCc1cccs1)[C@H]1CCCO[C@H]1c1ccccc1 40156165 VXQCCYXYKLPIIV-ROUUACIJSA-N 361.532 4.265 0 40 FIAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1F 41089901 VFUWFSKCBBMTCK-UHFFFAOYSA-N 371.387 4.250 0 40 FIAB CCOC(=O)c1c(NCc2cccs2)c2ccc(Cl)cc2[nH]c1=O 49001530 LSMZDDZLPBYQBJ-UHFFFAOYSA-N 362.838 4.032 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)N(C)c1cccc2ccccc12 56225821 OGUKBIGUANMPRO-UHFFFAOYSA-N 357.413 4.311 0 40 FIAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2cccc(C(N)=O)c2C)c(C)c1 57054386 DBSRVJFYJXZIHI-UHFFFAOYSA-N 366.461 4.011 0 40 FIAB COc1ccc2nc(NC(=O)c3sc(-n4cccc4)nc3C)sc2c1 61719814 RKYYCYQHTNTKTD-UHFFFAOYSA-N 370.459 4.113 0 40 FIAB COC(=O)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71326266 DWQBRJLIUMBQKP-UHFFFAOYSA-N 370.352 4.181 0 40 FIAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1cccc2[nH]ccc12 72404726 YKYVUFVBQBNMOV-UHFFFAOYSA-N 350.809 4.474 0 40 FIAB Cc1cc(C)c(-c2nnc(SCc3ccc(C(N)=O)cc3)o2)c(C)c1 75456879 UGSHPDDUNJHRJW-UHFFFAOYSA-N 353.447 4.053 0 40 FIAB O=C(NCCCSc1nc2cc(Cl)ccc2s1)C(F)(F)F 79111582 ZSJSWIGDFUOFGV-UHFFFAOYSA-N 354.806 4.110 0 40 FIAB Cc1ccccc1[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)C(C)(C)C 79754682 VISACZMWBRZXII-IBGZPJMESA-N 366.461 4.469 0 40 FIAB O=C(C[C@H]1CC(=O)Oc2cccc(Cl)c21)Nc1cccc(Cl)c1 80345806 PLFFRRDDPTUXCY-JTQLQIEISA-N 350.201 4.415 0 40 FIAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)CC1CCCCC1 84335503 ARDRZVYGDGAWKC-SFHVURJKSA-N 364.436 4.255 0 40 FIAB O=C(COc1ccccc1F)N(CCc1cccs1)Cc1ccoc1 90612331 VHBDINIBSGDOAK-UHFFFAOYSA-N 359.422 4.131 0 40 FIAB CCOc1cccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)c1 101014697 GPUYZEDXPOUJGK-MRXNPFEDSA-N 360.251 4.151 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102839598 CHITUUTUOMFTAP-ABHRYQDASA-N 360.523 4.127 0 40 FIAB COc1cccc(CCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 219039016 IIFZPDSCHYSKRL-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1Cl 222738005 ZXIDFSVQWFAZQW-GFCCVEGCSA-N 361.825 4.001 0 40 FIAB C[C@@H](NC(=O)C1(c2ccccc2)CCCC1)c1ccc2c(c1)OCCO2 222739651 ZWZHCDKKOLTYFQ-MRXNPFEDSA-N 351.446 4.147 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 222999116 NIKMMOFMNPCNMJ-RXVVDRJESA-N 355.478 4.353 0 40 FIAB COc1ccc(CCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223739589 LYZGDOMFJUOUPG-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CC[C@@H](NC(=S)Nc1cccc(OC)c1)c1ccc(OC)c(OC)c1 225718139 ASAXGULDAJGFJW-MRXNPFEDSA-N 360.479 4.150 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OC)c(Cl)c1 225795767 STSXXPISDFMPCD-LBPRGKRZSA-N 360.841 4.129 0 40 FIAB Cc1nc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2n1C 225894566 KIHSOBUMFGOWMZ-UHFFFAOYSA-N 355.441 4.401 0 40 FIAB Nc1nc2c(Br)cc(NC(=O)c3ccc(F)cc3)cc2s1 226310413 OOEDRFMQQRMMFC-UHFFFAOYSA-N 366.215 4.032 0 40 FIAB Cc1cccc(O[C@@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)n1 238840641 HTMXADQQHBQNRU-GOSISDBHSA-N 370.518 4.113 0 40 FIAB O=C(N1CCCCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257281891 ORIZSYJGGHTKKI-UHFFFAOYSA-N 364.489 4.100 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1C 408707235 IFSQVBJXTUUSTR-FQEVSTJZSA-N 364.489 4.096 0 40 FIAB CCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1 409094410 DRICKKCKDLDHIG-UHFFFAOYSA-N 370.453 4.225 0 40 FIAB CCn1cc(NC(=O)N[C@@H](CC2CCCC2)c2ccccc2)ccc1=O 502878719 URMBSIQAHDTVKT-IBGZPJMESA-N 353.466 4.311 0 40 FIAB O=C1Cc2cc(-c3csc(Cc4ccc(F)cc4)n3)cc3c2N1CCC3 506941038 RSVHFFKFRXPOAG-UHFFFAOYSA-N 364.445 4.375 0 40 FIAB COc1cc(CNC[C@@H](C)CN2CCCC2)ccc1OCc1ccccc1 513063331 YBAHTKOOBOMYRD-LJQANCHMSA-N 368.521 4.096 0 40 FIAB Cc1nc([C@@H]2CCCN(Cc3c(Cl)cccc3C(=O)O)C2)sc1C 576046412 LZWMAXVZAXFOFZ-CYBMUJFWSA-N 364.898 4.491 0 40 FIAB Cc1nc2cc(NC(=O)NCc3cccc(OC4CC4)c3F)ccc2o1 666226411 QRYUXZBIGIKWTL-UHFFFAOYSA-N 355.369 4.138 0 40 FIAB CCc1ccc([C@H]2C[C@@H](C)CCN2c2ccc3nnc(C4CC4)n3n2)o1 669823525 JPLUTKQSHCPVQC-XJKSGUPXSA-N 351.454 4.135 0 40 FIAB CO[C@@H]1CCCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC1 679969506 MLNPXXVDPGAZMX-GOSISDBHSA-N 354.450 4.189 0 40 FIAB O=C(NC[C@H](C(=O)O)C1CCC1)OCC1c2ccccc2-c2ccccc21 685939405 UANUDZCGFPGAOS-IBGZPJMESA-N 365.429 4.026 0 40 FIAB O=C(NC1CCCC1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1890008102 YWDXGGYBHNSRFS-UHFFFAOYSA-N 358.873 4.115 0 40 FIAB Cc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2c(C)cc(C)cc23)cc1 648337 QUMLFXHSECHNDS-UHFFFAOYSA-N 362.458 4.406 0 40 FIAB CCOc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 722914 GYNMNBGEJPOWQU-UHFFFAOYSA-N 372.428 4.380 0 40 FIAB COc1ccc2oc(=O)c(C(=O)O[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)cc2c1 1057156 DZBWSUUMDFCORR-KPFBPEDLSA-N 356.418 4.173 0 40 FIAB O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc(Cl)cc2)cs1 1415058 RGWBPPQWAYSONK-UHFFFAOYSA-N 368.845 4.302 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCC 2226604 XVGYUCNWJBENPZ-ATVHPVEESA-N 351.402 4.137 0 40 FIAB CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccccc1F 2355471 NXQBDPYEMZITDX-UHFFFAOYSA-N 371.437 4.088 0 40 FIAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(F)c(F)cc1Cl 2618435 BCNBXXPAMONNSL-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 2734034 AKJKDGUFRYMUOV-IBGZPJMESA-N 356.897 4.211 0 40 FIAB CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 2777916 XNXUELOSQOEMNU-ZIAGYGMSSA-N 353.344 4.365 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(SC)cc2OC)cc1 3264763 IBGUFFPLVLAMRU-ZDUSSCGKSA-N 373.474 4.164 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1c(F)cccc1F 3326871 ZCDFEVUIBKRKGJ-UHFFFAOYSA-N 369.723 4.020 0 40 FIAB CCC[C@@H](C)C(=O)OCC(=O)Nc1nc(-c2ccccc2Cl)cs1 3332048 GHHXSKVBAZKBPL-LLVKDONJSA-N 366.870 4.381 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1Cl)NC1CCCCCCC1 3369597 UWOSXHSOTOGTND-UHFFFAOYSA-N 358.265 4.379 0 40 FIAB COc1cccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1OC 4588303 IMLHPABCJDMCNU-LGMDPLHJSA-N 365.429 4.346 0 40 FIAB CCOc1ccc2nc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)sc2c1 5005588 WZKONWQHXUSKKC-UHFFFAOYSA-N 357.435 4.095 0 40 FIAB CCN1C(=O)[C@]2(Nc3ccccc3-c3nc4ccccc4n32)c2ccccc21 5248912 FQRXKWVRZQYJFY-QHCPKHFHSA-N 366.424 4.196 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ccc2ccccc2n1 5627383 MBWLAYINWSFOSS-INIZCTEOSA-N 350.487 4.464 0 40 FIAB CCCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 5704809 CXHMREDVYJJTIN-IBGZPJMESA-N 356.466 4.025 0 40 FIAB CC(C)c1ccc(-c2nc(C(=O)NCCO)cc3c2[nH]c2ccccc23)cc1 5825717 YUGXABCGCIYSLU-UHFFFAOYSA-N 373.456 4.229 0 40 FIAB biogenic Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1C1CC1 6140477 AXOCAEXOOBPPAH-UHFFFAOYSA-N 366.490 4.210 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cc2)n1 6501150 JYELHECPNOYHQJ-UHFFFAOYSA-N 373.412 4.010 0 40 FIAB O=C(NCC1CC1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 6678120 FRAQZPRBGHAUDW-UHFFFAOYSA-N 359.385 4.290 0 40 FIAB Cc1nnc(CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)o1 7205094 SRYKYRLARCNQSS-UHFFFAOYSA-N 355.467 4.299 0 40 FIAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7929094 GHCPUKYWJBAZHN-SFHVURJKSA-N 359.425 4.361 0 40 FIAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(Br)s1 8342710 XYMLFNSYMYKPSX-UHFFFAOYSA-N 368.281 4.069 0 40 FIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC=C(c2ccccc2)CC1 8756697 WZMFIRVXNCLLOY-QFIPXVFZSA-N 363.457 4.174 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 9064406 GNGDPKSCCMLWKX-HNNXBMFYSA-N 352.434 4.089 0 40 FIAB Cc1ccc(CNc2nc(Nc3ccc(C)cc3)c3cnn(C)c3n2)cc1 9273239 QGMUFMQHQLIBMU-UHFFFAOYSA-N 358.449 4.336 0 40 FIAB CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(C(C)C)cc2)s1 9286825 PREVROYGZSYFCF-UHFFFAOYSA-N 374.510 4.217 0 40 FIAB Cc1ccoc1C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 9313559 HKVBBZXNSHPZTE-UHFFFAOYSA-N 350.422 4.215 0 40 FIAB Cc1cc(C)n(-c2nc(C)c(Br)c(NC3CCCCC3)n2)n1 9340931 VADSQTCJHKBPSZ-UHFFFAOYSA-N 364.291 4.095 0 40 FIAB Cc1cccc(-c2nnn3c2nc(N2CCC[C@@H](C)C2)c2ccccc23)c1 10433685 VXSMMTGUHKYNQY-MRXNPFEDSA-N 357.461 4.489 0 40 FIAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(F)cc1F 10714691 ZPLWTMCUAJQFJG-UHFFFAOYSA-N 364.348 4.490 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nncs2)cc1 11577781 IALKEOCKFZALGI-UHFFFAOYSA-N 357.460 4.370 0 40 FIAB C[C@@H](c1ccccc1)N(C)C(=O)C(F)(F)C(=O)N(C)[C@H](C)c1ccccc1 12401891 WCCNEKJAUICGHQ-IYBDPMFKSA-N 374.431 4.061 0 40 FIAB CCN1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 12539679 OIWZVWWHNUKVIL-HNNXBMFYSA-N 353.853 4.074 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc2ccccc2s1 12901748 LPHVVKHREQZIIE-QGZVFWFLSA-N 363.442 4.199 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccccc2)cc1 12942393 SJDCGTUPPPCWGS-UHFFFAOYSA-N 360.413 4.156 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 13967933 YEFFYMICJWFTIL-XLAORIBOSA-N 356.510 4.493 0 40 FIAB Cc1nc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cs1 14186045 GGIKLKMMMFBDNM-VFNNOXKTSA-N 369.515 4.481 0 40 FIAB O=C(CSc1nc2ccccc2s1)c1cccc(N2CCCC2=O)c1 15651950 YQIRPJGARKPLAS-UHFFFAOYSA-N 368.483 4.398 0 40 FIAB CCCCCOc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 15831646 RKOHJRLRTZBALE-FQEVSTJZSA-N 370.493 4.416 0 40 FIAB CC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1 22620359 WDMSZBJXFVEZBV-VXKWHMMOSA-N 366.505 4.142 0 40 FIAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1cc2ccccc2o1 23951986 YZELCPSWSNIZBG-ACJLOTCBSA-N 370.474 4.126 0 40 FIAB CN(Cc1ccccc1OC(F)(F)F)Cc1c(O)ccc2ccncc12 24743012 HSKSTYMMKAOKOZ-UHFFFAOYSA-N 362.351 4.471 0 40 FIAB Cc1nc(SCC(=O)Nc2nccs2)n(C2CCCCC2)c1C 24932588 GDFWRSRCNGLTIA-UHFFFAOYSA-N 350.513 4.192 0 40 FIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NCc1ccc(F)cc1 25051423 QBXTZEXYCJIAGG-UHFFFAOYSA-N 373.478 4.305 0 40 FIAB COCCOc1cc(NC(=O)c2cc3c(C)cc(C)cc3[nH]2)ccc1OC 25225169 LCKXXCIPYSJBFZ-UHFFFAOYSA-N 368.433 4.071 0 40 FIAB CC(=O)c1ccc(OCc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1 28237078 FNHUHFLJJAYYPW-UHFFFAOYSA-N 367.376 4.130 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(Cl)ccc2F)c1 32768801 PAKTYXMLEIUKDI-KRWDZBQOSA-N 363.816 4.474 0 40 FIAB Cc1ccc([C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C2CC2)cc1 32809316 CLGOFFXPCNXLFG-HXUWFJFHSA-N 371.864 4.325 0 40 FIAB FC(F)(F)c1ccccc1-c1nnc(COc2ccc3c(c2)OCO3)o1 32815448 IKGOHRHTTHNETR-UHFFFAOYSA-N 364.279 4.063 0 40 FIAB CC(C)(C)c1csc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 32847827 UFKKDQXQAYTVJU-UHFFFAOYSA-N 366.870 4.046 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1cccc(OCc2ccccn2)c1 32930603 RBAIAFASEGXERW-UHFFFAOYSA-N 366.848 4.173 0 40 FIAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3ccc(F)cc3)cc(=O)c2c1 33063684 AKEBAXOYSTZRMV-UHFFFAOYSA-N 370.449 4.156 0 40 FIAB CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@H](C)c1cccc(OC)c1 40105319 HVZCFNKZQQGFRW-CQSZACIVSA-N 355.413 4.467 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 40159530 LESLNBQDZZRTFF-XHSDSOJGSA-N 366.427 4.180 0 40 FIAB C[C@@H]1CCCC[C@@H]1n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387692 NFWBOFDPNVYQFM-BEFAXECRSA-N 358.445 4.462 0 40 FIAB C[C@H](NC(=O)N[C@H](C)CCc1ccco1)c1ccc(NC(=O)C2CC2)cc1 45123468 MGZYGPLMXGMLSS-CABCVRRESA-N 369.465 4.010 0 40 FIAB O=C(NC[C@H]1CCN(c2ccccc2)C1)C1(c2cccc(Cl)c2)CC1 48174443 XYPQMZKCEARIBC-MRXNPFEDSA-N 354.881 4.014 0 40 FIAB O=C(CCC(=O)c1ccccc1)NC1(c2ccc(Br)cc2)CC1 48365694 OBDLDTJBRBRMRI-UHFFFAOYSA-N 372.262 4.218 0 40 FIAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(Cc1ccco1)C3 55393768 JXNJFSCAAMYVNH-UHFFFAOYSA-N 371.820 4.270 0 40 FIAB COc1cccc2cc(CNC3(c4ccc(F)cc4)CCOCC3)oc12 78725201 UYRXFTZLDYRESQ-UHFFFAOYSA-N 355.409 4.376 0 40 FIAB CSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80345030 JRCYBLMRZDUDED-NXEZZACHSA-N 360.291 4.309 0 40 FIAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OC1CCCCCCC1 84525273 NPZHUSFRMKTWOQ-UHFFFAOYSA-N 356.466 4.059 0 40 FIAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@H](c2ccccc2)C1 84525520 YYFYMSZPVVTMOB-RXVVDRJESA-N 366.461 4.266 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1C[C@H]1c1ccccc1F 95347429 NYXCCWCJDBZEPG-STQMWFEESA-N 361.800 4.383 0 40 FIAB Cc1cc(C)cc(C[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 100559544 FAYGYOGDMUGKBB-HNNXBMFYSA-N 361.363 4.444 0 40 FIAB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(Br)cc1 102502084 QAFKKTRTUPZLQM-QBFSEMIESA-N 353.219 4.103 0 40 FIAB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N(C1CCCC1)C1CC1 103979908 MHRIWKKISRKICU-MRXNPFEDSA-N 364.898 4.077 0 40 FIAB C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915975 OAZITJUUAWYFTF-FCUHUKEYSA-N 360.494 4.066 0 40 FIAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COCc1ccccc1 224354283 DDENXQDUKIAKQY-UHFFFAOYSA-N 353.462 4.284 0 40 FIAB C[C@@H](CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 224536465 MGCYNLPGSPQDGA-KRWDZBQOSA-N 370.924 4.472 0 40 FIAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225021469 ZEOQWBDPJWUALN-RTBURBONSA-N 354.523 4.379 0 40 FIAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 225306614 YBXYONAJGYYJPJ-OAHLLOKOSA-N 359.297 4.037 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225562004 GCILFEGTHIHMGF-UHFFFAOYSA-N 353.462 4.471 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(O[C@@H]2CCSC2)nc1 225714003 DOSAJWQBSKJNBS-GFCCVEGCSA-N 352.818 4.011 0 40 FIAB CC1(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CCC1 257207181 BGRKFONAGGKVNF-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccccc2)nc1 408531229 LIVZZBFDSCYTPY-UHFFFAOYSA-N 354.207 4.158 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CCc1ccccc1 408587335 UAKNLWDFWGDOIF-CQSZACIVSA-N 367.898 4.038 0 40 FIAB Cc1c(NC(=O)N[C@H]2CCCC23CCOCC3)cccc1-c1ncco1 562892799 ZSIOUQPNOBCKAQ-KRWDZBQOSA-N 355.438 4.121 0 40 FIAB Cn1cc([C@H]2CN(C(=O)c3cc4ccccc4s3)Cc3ccccc32)cn1 575621081 XLOILWHYXRRZMR-LJQANCHMSA-N 373.481 4.423 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cncc(-c2ccoc2)c1 575621371 WCIIUFZZASIHMQ-UHFFFAOYSA-N 360.335 4.219 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)NCCc2nc3c(s2)CCCC3)o1 677963773 KWUKVSLJDGTEGM-OAHLLOKOSA-N 359.495 4.013 0 40 FIAB OCc1cc(-c2cccs2)nc2cccc(I)c12 685937456 QDHUNNSIQMDTMS-UHFFFAOYSA-N 367.211 4.060 0 40 FIAB Clc1cnnc(OCc2cc(Cl)c3c(c2)OCCCO3)c1Cl 685943832 AMAYPASPSIXTRA-UHFFFAOYSA-N 361.612 4.177 0 40 FIAB CC(C)(C(=O)N1CC[C@@H]2OCCC[C@H]2C1)c1ccc(Cl)c(Cl)c1 1333757601 SHUHQNFJWKZLRC-LRDDRELGSA-N 356.293 4.299 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)nc1 1615127539 RINLMHGEVPYWAV-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB O=C(NCCc1cnc2ccccc2c1)NCC1CC(c2ccccc2)C1 1682013435 NCUDURGOSWJOAP-UHFFFAOYSA-N 359.473 4.270 0 40 FIAB O=C(c1cscn1)N1CCCC2(CCN(CC3CCCCC3)CC2)C1 2055773115 YCDATDUUOIWHKF-UHFFFAOYSA-N 361.555 4.042 0 40 FIAB COc1ccc(NC(=O)/C(Br)=C/c2ccccc2)c(OC)c1 955918 UUFRQDYZPPBDSR-UVTDQMKNSA-N 362.223 4.078 0 40 FIAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OC)c2)c1 1004631 PWJGATOFTFLVAF-GFCCVEGCSA-N 358.463 4.041 0 40 FIAB CCCc1nc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc2n1 1342803 INPACPAHCZQNKM-HUUCEWRRSA-N 357.523 4.179 0 40 FIAB CCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(CC)oc2c1 1604190 FXYYFBSCGHYAKE-UHFFFAOYSA-N 352.386 4.346 0 40 FIAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3cccc(OC)c3)c12 2146298 CMJLKZRHUNODHE-UHFFFAOYSA-N 366.413 4.324 0 40 FIAB biogenic O=C(O)c1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1 2513933 LACCVDSVCGXPEB-UHFFFAOYSA-N 362.381 4.321 0 40 FIAB O=C(CSc1nnc2ccccn12)Nc1ccccc1-c1ccccc1 2662589 TWPRDIKOCKDXQI-UHFFFAOYSA-N 360.442 4.127 0 40 FIAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 3218184 NSVMIDCEAMLKIN-UHFFFAOYSA-N 371.742 4.083 0 40 FIAB Cc1cc(C)cc(NC(=S)NNC(=S)Nc2cc(C)cc(C)c2)c1 3306965 WWKANLAFKTXHJX-UHFFFAOYSA-N 358.536 4.108 0 40 FIAB Cc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1C 3491105 UJROPYFQXIBIMA-IBGZPJMESA-N 362.458 4.321 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@@H]2CCCc3ccccc32)c1 3524186 XHRITGILBCUZBQ-QGZVFWFLSA-N 360.251 4.265 0 40 FIAB Cc1ccccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 3542558 ZSZXEDBDVADKSP-UHFFFAOYSA-N 351.402 4.094 0 40 FIAB Cc1cc(Br)cc(C)c1NC(=O)C(=O)c1c[nH]c2ccccc12 3623532 BHZRLZFALJHWOP-UHFFFAOYSA-N 371.234 4.369 0 40 FIAB CCCCCC1=NN(C(=O)c2ccccc2Cl)[C@](O)(C(F)(F)F)C1 4309914 KJIBYRJWNMVMMJ-OAHLLOKOSA-N 362.779 4.373 0 40 FIAB Cc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(Cl)cc4)N3C2=O)cc1 4698530 PQTBDAXTGHRNMG-RDJZCZTQSA-N 358.850 4.231 0 40 FIAB CCOC(=O)[C@H](Oc1ccc2c(C)c(C)c(=O)oc2c1)c1ccccc1 4747404 JFESZLJARCLWKE-LJQANCHMSA-N 352.386 4.093 0 40 FIAB CCC(=O)Nc1c(C(=O)Nc2ccc(OC)c(OC)c2)oc2ccccc12 5107069 KQHXNDNNBZECJV-UHFFFAOYSA-N 368.389 4.051 0 40 FIAB CCCCn1nc(NC(=O)c2ccncc2)c2cc3cccc(C)c3nc21 5156536 KTVZLOVXBGQGLM-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB COc1cccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)c1 5427228 BYQWEKKUQLSGMT-UHFFFAOYSA-N 365.433 4.186 0 40 FIAB CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(C(=O)O)cc1 5603454 WRKKPQKKULXCOG-VXPUYCOJSA-N 354.431 4.176 0 40 FIAB C[C@H]1CSC(N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)=N1 6587493 MZSNXLNNLJUPOF-NSHDSACASA-N 350.896 4.469 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)OCO2 6590604 GBYXXSQNYSMOQV-UHFFFAOYSA-N 367.323 4.475 0 40 FIAB Cc1ccc(CNc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 6805474 ZBMZTOPGVGXKOI-UHFFFAOYSA-N 366.428 4.260 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(S)c3ccccc3n2)cc1C 6826565 PUEKHIUKWXIGIQ-UHFFFAOYSA-N 355.488 4.266 0 40 FIAB CCOc1ccccc1NC(=O)CSc1ccc(-c2cccs2)nn1 6858767 UYBWJWBKSWQWHG-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 7236508 IFEWGDJSPLIORS-CQSZACIVSA-N 355.463 4.364 0 40 FIAB Cc1occc1-c1nnc(SCc2ccc(Br)cc2)n1C 7236626 BZPFFDIKBUBQBL-UHFFFAOYSA-N 364.268 4.438 0 40 FIAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Cc1ccccc1 7278436 YPKRVROHUJXLBZ-UHFFFAOYSA-N 372.424 4.214 0 40 FIAB CCc1nnc(S/C(=C\c2cc(C(C)C)c(OC)cc2C)C(=O)O)o1 7603406 ZKAVTNZQPAALHO-DHDCSXOGSA-N 362.451 4.290 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncnc3ccccc23)c1C 7637145 OFMUFFNEBQIPAN-CYBMUJFWSA-N 353.447 4.141 0 40 FIAB CCOc1ccc(CN(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 7687076 HCEAVNDRBVNEHJ-UHFFFAOYSA-N 366.383 4.175 0 40 FIAB C[C@H](NC(=O)COc1cccc(Br)c1)c1cc2ccccc2o1 7890208 KBOWCYZLHXMSIR-LBPRGKRZSA-N 374.234 4.452 0 40 FIAB CC(=O)c1c[nH]c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 7948198 ZLSRUEBWGPQUFJ-KRWDZBQOSA-N 356.472 4.128 0 40 FIAB CN(C)c1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 8165993 SRYFAIVFKRFFNT-UHFFFAOYSA-N 370.503 4.149 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)COc3cccc(C)c3)ccc21 9137312 QVIXAUAMDWYSEM-UHFFFAOYSA-N 366.461 4.092 0 40 FIAB C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 9338126 XGTDVQCNSBRLSW-ZDUSSCGKSA-N 359.351 4.382 0 40 FIAB Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2-c2ccco2)on1 12184289 VNXRTNCCICMYDU-UHFFFAOYSA-N 350.353 4.451 0 40 FIAB Cc1cc(-c2cnc(NCCc3ccncc3)nc2-c2ccoc2C)on1 12223067 IDTLJSLLYPQQOG-UHFFFAOYSA-N 361.405 4.058 0 40 FIAB Cc1sc2nc(CSc3ccc4c(c3)OCCCO4)nc(N)c2c1C 12508847 KOGJAWQKLONEHV-UHFFFAOYSA-N 373.503 4.344 0 40 FIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)o1 12517288 YPUAUJMVCRXRRX-HXUWFJFHSA-N 362.385 4.130 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F 12602460 SSHKMKDEMSEMFH-AWEZNQCLSA-N 359.420 4.394 0 40 FIAB Cc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1 12787000 SERXXPGIAGMXBB-UHFFFAOYSA-N 360.413 4.156 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1coc(-c2cccs2)n1 14015216 STWDEZOOWDXQFC-UHFFFAOYSA-N 361.854 4.398 0 40 FIAB COc1ccc(CCC(=O)Nc2ccccc2N2CCCCC2)cc1OC 15309179 XXVGYPAJDWSZTI-UHFFFAOYSA-N 368.477 4.265 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 15669622 JRTPKBRDKHFRAA-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(C)cc2C)c1 15828149 NPJJLDAPULIEEQ-LJQANCHMSA-N 369.461 4.063 0 40 FIAB CC(C)[C@H](c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cccs1 19445931 KAGRAZBIACGNEM-QGZVFWFLSA-N 373.526 4.482 0 40 FIAB CCn1cc(CN2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)cn1 19524903 NKYYESYSPUUXMA-UHFFFAOYSA-N 364.493 4.148 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(C)cc2)cc1OC 20037558 XQYLAUKZJZWODZ-INIZCTEOSA-N 373.518 4.242 0 40 FIAB Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 20609955 LTZNXWDUUQFPIT-NTEUORMPSA-N 354.413 4.381 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 21307522 QSMZPRRVCWOGNQ-MRXNPFEDSA-N 371.477 4.219 0 40 FIAB CN(Cc1cccs1)C(=O)COC(=O)c1ccc(-c2ccccc2)s1 21370945 KTONRDBFRLTOSL-UHFFFAOYSA-N 371.483 4.292 0 40 FIAB COc1ccc(C)cc1/C=C/C(=O)NC[C@H](c1ccccc1Cl)N(C)C 21556836 MZMMSHXNCSTBGW-FMAYLGMYSA-N 372.896 4.089 0 40 FIAB COc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccccc3)nc21 21801233 GHKVCWNAPTVPJN-UHFFFAOYSA-N 369.428 4.361 0 40 FIAB COC(=O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 22076832 FWZBMQKDJVPEMN-UHFFFAOYSA-N 353.393 4.205 0 40 FIAB CN(C)[C@@H](CNCc1c(OC(F)F)ccc2ccccc12)c1ccco1 22787488 JDFOMXARAYZZTJ-KRWDZBQOSA-N 360.404 4.427 0 40 FIAB CCOc1ccc(OCCC(=O)Nc2nc3ccc(C)cc3s2)cc1 24060762 KRVBVHGPFGTTLV-UHFFFAOYSA-N 356.447 4.411 0 40 FIAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)cc(F)c1 24932591 IGQJNAKEXHXBFA-IBGZPJMESA-N 367.399 4.017 0 40 FIAB COc1ccc2oc(C(=O)NCCCOc3ccccc3F)c(C)c2c1 24986004 XHCGEQONGYQKMT-UHFFFAOYSA-N 357.381 4.088 0 40 FIAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)N1CCc2ccccc2C1 28191018 IPDUNGJWLHPGTP-OAHLLOKOSA-N 363.486 4.004 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28293668 ZDPZDRFBURZTOO-OAHLLOKOSA-N 368.383 4.361 0 40 FIAB CCCCc1nnc(NC(=O)Cc2csc(Cc3ccccc3)n2)s1 30570113 QRYGRRYZOQUMMP-UHFFFAOYSA-N 372.519 4.109 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)cc1F)c1cc2c(s1)CCCCCC2 31313812 SCTLRAWDABRUKN-INIZCTEOSA-N 365.445 4.149 0 40 FIAB C[C@@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 31860863 WTOYXTZDCYEBQM-UBWHGVKJSA-N 355.409 4.137 0 40 FIAB Cc1[nH]c2c(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cccc2c1C 32778271 ISMIMGQFSWEQTP-IBGZPJMESA-N 369.896 4.471 0 40 FIAB COc1ccc(C(=O)NCc2cccc(COCc3ccccc3)c2)cc1 36390807 YXGVQQYAVDZBIT-UHFFFAOYSA-N 361.441 4.342 0 40 FIAB Cc1cc(C)n(CCNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)n1 36618665 MFKDDXORAZUQRH-UHFFFAOYSA-N 361.371 4.088 0 40 FIAB O=C(NCCCN1CCCCCC1=O)c1ccc(-c2ccccc2F)s1 40073716 RVBDPIPAACUUFK-UHFFFAOYSA-N 374.481 4.077 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 44843852 OIGGQSUOUICIOI-QFIPXVFZSA-N 366.505 4.118 0 40 FIAB COc1cccc2ccn(CCC(=O)N[C@@H](C)CCc3ccccc3)c12 44920517 JJYBKCGPJQMENC-KRWDZBQOSA-N 350.462 4.178 0 40 FIAB CC[C@H](C)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 45901592 VCDFAFDMTUEBSC-ZDUSSCGKSA-N 356.491 4.240 0 40 FIAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC4CCCC4)ccc32)c1 46078639 ALQWEFGRRJVAIU-UHFFFAOYSA-N 362.473 4.260 0 40 FIAB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1 47081108 QLBUSUCJWQMJMW-YBEGLDIGSA-N 363.504 4.238 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364428 BIFNKHLNJOEBMM-SFHVURJKSA-N 358.441 4.408 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)c(C)n1 56200682 ZDTPFCMWDOHNIP-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB C[C@@H](c1ccccc1F)N(C)C(=O)NCCCc1nc2ccccc2[nH]1 56373669 MGBPCECQJGKNMP-AWEZNQCLSA-N 354.429 4.037 0 40 FIAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC=CCC1 58080489 HILAEPVABMSUJD-MRXNPFEDSA-N 366.427 4.142 0 40 FIAB Oc1ccc(C2=CCN(C[C@@H](O)c3ccccc3C(F)(F)F)CC2)cc1 60466414 RTMMJPZGBKRMEO-LJQANCHMSA-N 363.379 4.234 0 40 FIAB Cc1nc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)sc1C 66273114 AJHJKFDSJROEGA-UHFFFAOYSA-N 372.519 4.225 0 40 FIAB C[C@H](c1c(F)cccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 84647287 DIGUGAAKZCPAHJ-CYBMUJFWSA-N 357.404 4.006 0 40 FIAB COc1cc(F)c(NCc2ccc(OC)c(Br)c2)cc1F 95450116 JIYJPKNWSVBJJB-UHFFFAOYSA-N 358.182 4.357 0 40 FIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103941039 DKNWKGFZCXWZKU-YQYZPQCESA-N 352.434 4.086 0 40 FIAB O=C(NC1CCCC1)N1CCS[C@@H]1c1ccc(F)c(Br)c1 217645097 FXKCFTAVCRCHHA-CQSZACIVSA-N 373.291 4.288 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1cc(C)ccc1C 219276857 QPYHWXHYGBVWIM-LJQANCHMSA-N 353.462 4.273 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 219551399 NMOUCBQMDFJFGK-VQIMIIECSA-N 371.477 4.355 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1cc(C)cc(C)c1 224091795 YBUYMTKUWKTDCA-SFHVURJKSA-N 361.869 4.309 0 40 FIAB COc1ccc(CCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224186883 WABXSVMTUUIHGT-UHFFFAOYSA-N 361.869 4.093 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)NCCOc2ccccc2Cl)cc1 224260184 VOVBRAPMBKENOH-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB Cc1cccc(C2(CNC(=O)c3ccc(C)cc3Cl)CCOCC2)c1 225007158 FRKBYNVJLFOEJF-UHFFFAOYSA-N 357.881 4.435 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225792379 OZVMBKDLUMMLND-HOTGVXAUSA-N 353.462 4.219 0 40 FIAB C[C@@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1ccccc1 229798480 UYHGCPBBCRVDCH-WVSMJXTDSA-N 368.506 4.166 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Oc2ccncc2)CC1 252489666 JVWSQQFCDVRCKU-UHFFFAOYSA-N 372.468 4.361 0 40 FIAB Cc1nccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257323302 WJNUUKGOYWGOON-LJQANCHMSA-N 363.417 4.080 0 40 FIAB O=C(N[C@@H]1CCc2ccccc21)c1ccc2c(c1)NC(=O)c1ccccc1N2 390829283 XYFRWELXZAJEBX-LJQANCHMSA-N 369.424 4.413 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc(C)c3)C2=O)cc1 409224649 IMJYOAYMUPCXGQ-KGENOOAVSA-N 371.440 4.187 0 40 FIAB O=C(NCC1CCc2ccccc2CC1)c1scnc1C(F)(F)F 529608983 CCKGTQDTWCSVHM-UHFFFAOYSA-N 354.397 4.087 0 40 FIAB O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@@H]1CCCC[C@H]1C(F)(F)F 538679568 GLCJUTMVKKJOHW-HUUCEWRRSA-N 351.372 4.062 0 40 FIAB O=C(NCc1cccnc1-c1ccsc1)c1cc(-c2cccs2)on1 585366542 FNDGQKSTAFIFGT-UHFFFAOYSA-N 367.455 4.457 0 40 FIAB O=C(C[C@]12CCCC[C@@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1 614255653 UFLFCLSVGKMRAG-PKOBYXMFSA-N 357.404 4.401 0 40 FIAB COc1ccc([C@@H]2CCN(C(=O)N[C@@H]3CCCOc4ccccc43)C2)cc1 624234558 YDGWBBBLKACBGQ-YLJYHZDGSA-N 366.461 4.108 0 40 FIAB COc1cccc([C@@H](C(=O)O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c1 634691449 HFMZPVCKAOUYPJ-YJBOKZPZSA-N 374.506 4.280 0 40 FIAB C[C@H]1CC[C@@H]2[C@@H](O1)c1ccccc1OC21CCN(Cc2cscn2)CC1 643913278 OVULNVYJWKNHDK-CVAIRZPRSA-N 370.518 4.427 0 40 FIAB COc1cccc([C@@H]2C[C@H](O)CN2C(=O)c2coc3cc(C)c(C)cc23)c1 669740946 FCOJURHDTTWJED-JXFKEZNVSA-N 365.429 4.006 0 40 FIAB O=C([C@H]1CCC[C@H]1c1ccccc1)N1CC(OCCCc2ccccc2)C1 1629171198 MOAOUSNPRZKORC-GOTSBHOMSA-N 363.501 4.431 0 40 FIAB CC(=O)N1c2ccccc2C(CSc2nc(C)cc(C)n2)=CC1(C)C 1857657082 ZMWSCUCSWREKAP-UHFFFAOYSA-N 353.491 4.414 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)c2ncccc2F)CN1c1cccc(F)c1 2037988385 CSDJQOZKUHUBOK-NRFANRHFSA-N 371.431 4.024 0 40 FIAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 2087146132 JCZJXQWTSOQCFY-GOSISDBHSA-N 371.550 4.279 0 40 FIAB COc1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1Cl 987359 SPQJXDIHRQZHQW-SXGWCWSVSA-N 374.849 4.455 0 40 FIAB O=C(OCc1ccccc1Cl)C1(O)c2ccccc2-c2ccccc21 1130321 MLGBSBFQKPXPCC-UHFFFAOYSA-N 350.801 4.300 0 40 FIAB CC(C)c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1C 1364163 CUNIQPVDTUYFAM-UHFFFAOYSA-N 366.490 4.396 0 40 FIAB O=C(Nc1ccc(Cl)cc1)Nc1snnc1C(=O)Nc1ccccc1 1417002 JVHHSZXOPPKYQO-UHFFFAOYSA-N 373.825 4.088 0 40 FIAB COC(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 2236371 XEQMASPGYDXRCR-UHFFFAOYSA-N 356.385 4.222 0 40 FIAB C[C@H]1CCc2sc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c3c2C1 2365786 CGWYMAAWOIECFF-LBPRGKRZSA-N 363.490 4.197 0 40 FIAB Cc1ccccc1-c1nnc2c3cnn(-c4cccc(Cl)c4)c3ncn12 2437233 GZTNWHVVYVLGDQ-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1 2636628 XALSDYNJDOHZAE-UHFFFAOYSA-N 362.429 4.328 0 40 FIAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc2ccccc12 3274910 ASAQEBURSMZRPG-UHFFFAOYSA-N 356.381 4.184 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1Cl 3348234 PSDUYAQPSVASPB-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccccc1 3495669 IDBSFODAMSNVAH-NSHDSACASA-N 354.460 4.063 0 40 FIAB Cc1ccc(-n2ncc3c(NCCc4ccccc4)ncnc32)cc1Cl 4354649 SFMVRMUHWFAQNQ-UHFFFAOYSA-N 363.852 4.432 0 40 FIAB O=C(O)C[C@@H](NC(=O)C1CCCCC1)c1ccc(OC2CCCC2)cc1 4689325 XZCKYLGVXUYLJU-LJQANCHMSA-N 359.466 4.220 0 40 FIAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)NCc2ccccc2)CC1 4858338 ZQTIMCSIVQZQEM-UHFFFAOYSA-N 366.440 4.031 0 40 FIAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C 5628721 DTKRMXWVVCFBFV-CYBMUJFWSA-N 358.463 4.429 0 40 FIAB C#CCn1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc21 6325083 DMFAYHWAJWMMPZ-FOLIBTTPSA-N 365.502 4.364 0 40 FIAB Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)nc1 6590429 YXQWGKUSFKYZKA-LJQANCHMSA-N 367.493 4.081 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1F)S[C@H](C)C(=O)N2 6678877 TYSOTWSOYUJADZ-FZKQIMNGSA-N 367.449 4.483 0 40 FIAB Cc1cccnc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 6788084 FJIMYKNNBDFHLW-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 6952802 DGOLNROAEJLABN-SUNYJGFJSA-N 366.373 4.128 0 40 FIAB O=C(OCc1nc(-c2cccs2)no1)c1ccccc1C(F)(F)F 7170022 FPZXLNVIKCDZSG-UHFFFAOYSA-N 354.309 4.174 0 40 FIAB O=C(COc1ccccc1Cc1ccccc1)N[C@@H]1CCOc2ccccc21 7215650 ALVYPTUDHQTKDU-OAQYLSRUSA-N 373.452 4.296 0 40 FIAB CCOc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 7369392 QILQOUZKLIYUCK-UHFFFAOYSA-N 364.511 4.444 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc2ccccc2c1 7831058 UQFFMUVOFICTAM-UHFFFAOYSA-N 371.440 4.063 0 40 FIAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1F 8156452 SFMIWDHHSXPVKH-INIZCTEOSA-N 355.438 4.211 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8270698 MHOFMLZOPFGLHT-INIZCTEOSA-N 358.825 4.480 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21 8394732 IPUGLWSVPTYKID-CQSZACIVSA-N 367.474 4.378 0 40 FIAB CCn1cnnc1SCC(=O)Nc1ccccc1Oc1ccc(C)cc1 8705550 FIGWFXUFVPMVDJ-UHFFFAOYSA-N 368.462 4.130 0 40 FIAB COc1ccc(C)cc1-c1csc(NC(=O)CCc2cccnc2)n1 9364514 GFHBMESZWJSAGF-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB CCCC(=O)NC(Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F 12419225 QVWAJBGURWOJGM-UHFFFAOYSA-N 362.701 4.489 0 40 FIAB Cn1ccs/c1=N\C(=O)CCN1c2ccccc2Sc2ccccc21 12546918 DKRMBNSGYZYGEM-VXPUYCOJSA-N 367.499 4.207 0 40 FIAB Cc1csc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)n1 12604071 UZGHVBCTTHNGSX-UHFFFAOYSA-N 364.883 4.021 0 40 FIAB COC(=O)c1sccc1NC(=O)c1ccccc1Cc1ccccc1 12902426 QLXXMPJHIHCFQE-UHFFFAOYSA-N 351.427 4.378 0 40 FIAB O=C([C@H]1Cc2ccccc2O1)N1Cc2ccccc2[C@H](c2ccccc2)C1 13006879 JCQCZEAYQGGPRS-JTHBVZDNSA-N 355.437 4.164 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1cc(C(=O)O)ccc1Cl 13167612 JCGLQDLIFHTKMP-UHFFFAOYSA-N 355.777 4.452 0 40 FIAB CCC[C@H](C)c1nnc(NC(=O)c2ccccc2Br)s1 13955677 GXWAMZMHWGGDQL-VIFPVBQESA-N 354.273 4.457 0 40 FIAB CCn1c(S[C@@H](C)C(=O)NCC2CCCCC2)nnc1-c1ccccc1 14020553 CAWSPPOZHYOJMI-HNNXBMFYSA-N 372.538 4.142 0 40 FIAB Cc1nnc(NC(=O)c2ccccc2OCc2ccccc2Cl)s1 14129297 HYBKUXFINHZCOB-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 14301925 GCQSPUQZJZWDAV-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 14739580 PIVUPUGKRUATCA-SFHVURJKSA-N 350.462 4.106 0 40 FIAB COc1ccc([C@H]2CCCN2CCOc2ccccc2C(C)=O)c(OC)c1 15366985 FYXZWYWDGSXVLA-HXUWFJFHSA-N 369.461 4.122 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1sc(-c2cccnc2)nc1C 20030097 QMFWQXBAZGEKAD-GFCCVEGCSA-N 353.447 4.013 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20044421 YMQPXELWEAUWNF-GOSISDBHSA-N 366.505 4.199 0 40 FIAB COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)ccc1OC(F)F 21798484 VQVNNIMFKUDXNF-VIFPVBQESA-N 368.405 4.130 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccsc2)c1 23957820 MVYSEZBQWDOMTB-UHFFFAOYSA-N 372.519 4.026 0 40 FIAB CN(C)c1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 24023493 BZUAFCLAUSOZTK-UHFFFAOYSA-N 364.840 4.279 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2cccc(C)c2)C1=O 27472580 DQYLLXCVOJROOT-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1cccs1 27920914 QJIOIRGEVPIUFM-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB CCNc1c(NC(=O)Cc2ccc(Cl)cc2)c(=O)oc2ccccc12 28048989 ICSWFBWZFWGFQK-UHFFFAOYSA-N 356.809 4.059 0 40 FIAB CSc1cccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)c1 28666409 ALIWIMMAYOHXGV-UHFFFAOYSA-N 354.479 4.374 0 40 FIAB O=C(NCCN1CCc2ccccc2C1)c1sc2ccccc2c1Cl 30318545 LQFNMSYYCAHPIV-UHFFFAOYSA-N 370.905 4.343 0 40 FIAB O=C(CCSCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2 30715586 SHCHYNJQPJYAQC-UHFFFAOYSA-N 369.534 4.043 0 40 FIAB O=C(NC[C@@H](O)c1ccc(F)cc1F)c1cc2c(s1)CCCCCC2 31313815 SCTLRAWDABRUKN-MRXNPFEDSA-N 365.445 4.149 0 40 FIAB O[C@H](CO[C@H]1CCCc2ccccc21)CN(Cc1ccc(F)cc1)C1CC1 32751127 LJICEEKUANFLPZ-GMAHTHKFSA-N 369.480 4.245 0 40 FIAB O=C(OCc1nc(-c2cccs2)no1)c1sccc1-n1cccc1 32885785 LCOIFZGBBXOAEP-UHFFFAOYSA-N 357.416 4.007 0 40 FIAB CCN(CC)C(=O)CSc1nc(-c2ccccc2)c2nc(C)sc2n1 35682703 HADFMHFUUHSBEC-UHFFFAOYSA-N 372.519 4.022 0 40 FIAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccccc2)cc1 35684371 WKWCENQRRPGZCD-QGZVFWFLSA-N 360.417 4.338 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)o1 36697607 RUPTYKLQBBRNLK-UEVHFDIWSA-N 352.478 4.055 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)s1 40013456 OQSNTLWRUSBBQD-MRXNPFEDSA-N 367.474 4.259 0 40 FIAB C[C@H]1CCC[C@H](n2ccc3c(nnc4c(-c5ccccc5)cnn43)c2=O)[C@@H]1C 40388205 MCPRAGCIGCSVKQ-DAYGRLMNSA-N 373.460 4.103 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 45383264 IIWVFSRGTVMGEA-LSDHHAIUSA-N 359.491 4.370 0 40 FIAB Cc1ccc(NC(=O)c2ccc(OCc3nccn3C)cc2)c(Cl)c1 47516517 ZOYIHLIJHVSQFU-UHFFFAOYSA-N 355.825 4.213 0 40 FIAB Cc1c(C(=O)Nc2ccccc2Cn2cncn2)oc2c(Cl)cccc12 55968646 DSNSQPOLIXONMK-UHFFFAOYSA-N 366.808 4.287 0 40 FIAB CCc1c(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)cnn1C(C)(C)C 56893609 PSZLHYPPCHCBNY-UHFFFAOYSA-N 363.465 4.218 0 40 FIAB COc1ccc(NC(=O)NCc2nc(-c3ccc(OC)cc3)cs2)cc1 72264919 LUCDCDNGSVXBBE-UHFFFAOYSA-N 369.446 4.149 0 40 FIAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)cc1 72349089 IUTZGRMVVWSBKP-LJQANCHMSA-N 373.456 4.172 0 40 FIAB CCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ncccn2)cc1C 84319615 WZLPFYWJKWGRQV-UHFFFAOYSA-N 363.421 4.026 0 40 FIAB CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cn(-c2ccccc2)nc1C 95116048 OHPVMTVQKMVHLS-QFIPXVFZSA-N 358.445 4.187 0 40 FIAB CNc1cc(C(=O)N2CCCC[C@H]2CCc2ccccc2)cc(Cl)n1 95445074 YUCAVONYLKSFBJ-KRWDZBQOSA-N 357.885 4.404 0 40 FIAB CC(C)[C@H](O)C1(CN[C@@H]2CCCOc3cc(Br)ccc32)CC1 95988230 BVEYUJHFXOYVMI-WBVHZDCISA-N 368.315 4.050 0 40 FIAB CC(C)n1c(C(=O)NCCc2cccnc2)cc2c1c1ccccc1n2C 96146283 OMFWBYKPYMPIFF-UHFFFAOYSA-N 360.461 4.081 0 40 FIAB CCC1(CC)CCCN(C(=O)CCNC(=O)c2c[nH]c3ccccc23)CC1 97105208 VRIVTYYXBPTBMT-UHFFFAOYSA-N 369.509 4.107 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 100664008 WPEMSHFJDFYNQV-UFOPBENGSA-N 357.409 4.036 0 40 FIAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 103718601 IKLDAOCJYDLRLM-KRWDZBQOSA-N 366.461 4.166 0 40 FIAB CCOP(=O)(OCC)c1cc2c(nc1S)[C@H]1C[C@H]2[C@@H]2CCC[C@@H]12 222057750 YVYSETWCPIFJKA-NDBYEHHHSA-N 353.424 4.263 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)n2cc(C(=O)OC)c3ccccc32)cc1 222642562 NMBNCMSOFQCKAJ-FQEVSTJZSA-N 365.429 4.488 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc3c(c2)CCCC3)c1 223187789 WAUYNGSXGGPWDT-UHFFFAOYSA-N 367.445 4.068 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc2ccccc12 223550565 DBJUPAWZFSDEDD-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1Cl 223732397 ZWKYNZRWRIAEFP-UHFFFAOYSA-N 367.898 4.125 0 40 FIAB CCC(CC)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 223785613 ZZNBUXPDSADMGR-AQTBWJFISA-N 356.491 4.132 0 40 FIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1C 224274357 XJMLBTGNWIPXGB-PMACEKPBSA-N 362.502 4.214 0 40 FIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)C1 224333748 QOJUVIMOTMPAFJ-MOPGFXCFSA-N 350.506 4.452 0 40 FIAB Nc1ccc(Nc2ccc(Br)cc2)c(C(=O)N2CCCC2)c1 225471933 QXYUANKVUGAAII-UHFFFAOYSA-N 360.255 4.011 0 40 FIAB COc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)cc1Cl 225672737 VFZQWEGDOCDXOF-UHFFFAOYSA-N 361.869 4.498 0 40 FIAB CCOc1cc(CNC(=S)Nc2cccc(Cl)c2)ccc1OC 225770040 WEWLBBOIMVJZTL-UHFFFAOYSA-N 350.871 4.234 0 40 FIAB Cc1ccc(N(C)C(=O)C(F)(F)F)cc1-c1cc2ccccc2oc1=O 226358348 QHFILQIJQUEAER-UHFFFAOYSA-N 361.319 4.294 0 40 FIAB Cc1nc([C@]2(C)CCCN(C(=O)c3cccc(F)c3)C2)c2sccn12 257227109 FNRWPLLQWVMVSK-LJQANCHMSA-N 357.454 4.037 0 40 FIAB CC(C)n1nccc1-c1cc(C2CCN(C(=O)C(C)(C)C)CC2)ccn1 257244777 IMSCNQGZWDTWEZ-UHFFFAOYSA-N 354.498 4.278 0 40 FIAB C[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(-c2ccncc2)cc1 532247340 KXGYCSUDGRKXGC-UZLBHIALSA-N 362.452 4.212 0 40 FIAB CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@]3(CCCOC3)C2)cc1 585081428 GKLFJUATXOFRKP-JOCHJYFZSA-N 359.510 4.028 0 40 FIAB CCN1CCCCCCCN[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643574271 MHXBHKWUNVHWIW-CTNGQTDRSA-N 358.526 4.392 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)s2)[C@H](C)CO1 683322078 GJIOVGOCBKRZBH-PBHICJAKSA-N 367.474 4.049 0 40 FIAB CC(C)N1CCCN(C(=O)CCC2CCCC2)c2ccccc2CNCC1 1615125263 GSHIKZRVHGBIMQ-UHFFFAOYSA-N 371.569 4.194 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)C1(c2ccc(F)cc2)CC1 1775968149 KORSONSYQUAPIY-HNNXBMFYSA-N 371.433 4.029 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCC2 1465772 UHTBOFAYGMXREA-UHFFFAOYSA-N 351.427 4.429 0 40 FIAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3Cl)ccc12 2335169 HVWOBPROZPMZQD-UHFFFAOYSA-N 372.804 4.269 0 40 FIAB Cc1cc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(C)n1C 2619613 SCSRCWKDRHWNCR-UHFFFAOYSA-N 364.232 4.154 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)c1cc2ccccc2cc1OC 4836136 FZFGPFRPZIBBDZ-UHFFFAOYSA-N 364.397 4.417 0 40 FIAB CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3C)SC2)cc1 5070990 URGCALAQEPKEHK-UHFFFAOYSA-N 350.447 4.010 0 40 FIAB CCOc1ccc(N[C@](C)(CC)c2nnnn2-c2c(C)cccc2C)cc1 5250313 RDMXOOBZZQUUTL-OAQYLSRUSA-N 365.481 4.415 0 40 FIAB Cc1cccc(C(=O)NCc2nc3ccccc3n2Cc2ccccc2)c1 5545733 FLUDKNHXRSWBPN-UHFFFAOYSA-N 355.441 4.323 0 40 FIAB COc1cccc(-n2cnnc2SCc2ncc(-c3ccccc3)o2)c1 6163023 GSDAWMPMUAKUEJ-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB Cc1ccccc1-c1noc(COC(=O)c2cnc(Cl)c(Cl)c2)n1 6643075 SPEGDHSBNYNZAQ-UHFFFAOYSA-N 364.188 4.104 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 6752944 INGYLBNUBRUABC-LJQANCHMSA-N 367.836 4.391 0 40 FIAB c1ccn2c(SCc3nnc(-c4cc5c(s4)CCCC5)o3)nnc2c1 6879933 CDGMPDICIAXALX-UHFFFAOYSA-N 369.475 4.012 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 7882411 BGEYMHNZQWTOFK-LJQANCHMSA-N 364.489 4.420 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)c1 8355005 FRGQPCJTQJHTMZ-LLVKDONJSA-N 353.340 4.214 0 40 FIAB Cc1ccc(-n2nc(C(=O)O)nc2-c2ccc(Br)cc2)cc1C 8730854 KZGOFXJDZAFSHU-UHFFFAOYSA-N 372.222 4.012 0 40 FIAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1ccc(Cl)s1 8734436 XWGMOERXMQLNLZ-LLVKDONJSA-N 357.306 4.192 0 40 FIAB Cc1sc2nc([C@H](C)Sc3ncnc4sccc34)[nH]c(=O)c2c1C 8749556 LJKHVWFLKVWLBW-VIFPVBQESA-N 374.516 4.459 0 40 FIAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2cccc(Cl)c2)o1 9142020 YZFNFFBPROLJQM-UHFFFAOYSA-N 353.765 4.022 0 40 FIAB COc1ccc(SCC(=O)Nc2nnc(-c3cc(C)ccc3C)o2)cc1 10219217 OGGBDNVVZSKKFM-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB COc1cccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 10507333 ZJCXJPVRXIQXOL-UHFFFAOYSA-N 374.444 4.079 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 10611039 MSBWKEXLKQAUHF-ZDUSSCGKSA-N 372.490 4.295 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc2ccccc2cc1O 10677890 IORSRXQYDQJBAV-UHFFFAOYSA-N 357.413 4.003 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c1 10841923 DSWGFJWDHIVUSL-HNNXBMFYSA-N 351.450 4.091 0 40 FIAB CC[C@H](C)c1ccccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11724633 IYVSDLIXOFWFHS-INIZCTEOSA-N 365.477 4.378 0 40 FIAB COc1ccccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 12551503 ODAJNJHSHNQFMT-UHFFFAOYSA-N 373.412 4.174 0 40 FIAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccncc3)c(C)c12 12736046 AFGLAZSFFYGPKE-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB O=C1CCCN1c1ccc(CNCc2ccc(OC(F)(F)F)cc2)cc1 12809666 AKRKBGURQPQYEH-UHFFFAOYSA-N 364.367 4.002 0 40 FIAB CCCc1cc(-c2nc(C)c(C(=O)NCCc3ccccc3)s2)ccn1 13727209 KNWULQHEEUUZLX-UHFFFAOYSA-N 365.502 4.439 0 40 FIAB CCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 14171795 PETJVASEMPORRF-UHFFFAOYSA-N 374.444 4.222 0 40 FIAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 16032452 VXZQZCBQALHONX-NQSCKRDGSA-N 369.461 4.187 0 40 FIAB biogenic O=C(Cc1csc(Nc2ccccc2)n1)NCCCc1ccccc1 16850080 VRUUQNSBHUDILW-UHFFFAOYSA-N 351.475 4.178 0 40 FIAB Cc1ccc2oc(C(=O)N[C@@H](c3ccc(F)cc3)c3nccn3C)cc2c1 19221364 SVBOGAVHFKDXFE-IBGZPJMESA-N 363.392 4.133 0 40 FIAB COc1cc2c(cc1OC)[C@H](Cc1ccccc1)N[C@H](c1ccccn1)C2 19550737 KFNAOUQZUDFIIK-SFTDATJTSA-N 360.457 4.270 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2)n1 19661396 FAESPCTWDDEIRF-HNNXBMFYSA-N 353.397 4.034 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20141219 NFOGOYVOKHQFHW-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB Cc1nc(C2(NC(=O)c3oc4c(F)cccc4c3C)CCCCC2)no1 23508166 IOTXVQPVJBCGCJ-UHFFFAOYSA-N 357.385 4.161 0 40 FIAB Cc1cccc(OCCCNC(=O)c2ccc(COc3ccccc3)o2)c1 24240008 FMGSHUNTNQLOKO-UHFFFAOYSA-N 365.429 4.366 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27583815 HYJSCULMVNMHCQ-FQEVSTJZSA-N 372.896 4.306 0 40 FIAB CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 27664286 BRRVNIRPQQSYNF-HXUWFJFHSA-N 372.896 4.306 0 40 FIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 27922479 BIARWPFBBFYTCK-UXHICEINSA-N 363.436 4.430 0 40 FIAB CCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 27989235 LMYVQRAZTQQLDG-GOSISDBHSA-N 372.534 4.494 0 40 FIAB O=C(Nc1ccon1)c1ccc(COc2cccc(Cl)c2Cl)o1 28227389 NRABUMDNSWMCQW-UHFFFAOYSA-N 353.161 4.406 0 40 FIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H]1c1cccs1 29797021 BZAQCZPBTDUUNV-ZWKOTPCHSA-N 357.475 4.283 0 40 FIAB Cc1cc([C@H](C)NC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)s1 31662756 ZFHMZAWRTZKBDT-INIZCTEOSA-N 371.550 4.390 0 40 FIAB CCCC[C@@H](CC)CNC(=O)N1CCN(c2ccccc2OCC)CC1 32801788 QVJVMNICCROQMN-GOSISDBHSA-N 361.530 4.133 0 40 FIAB C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)c1nc2ccccc2n1C(F)F 32855855 KVFVXQVZQJURGQ-ZDUSSCGKSA-N 372.419 4.031 0 40 FIAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc2nc1C 40013459 FUPBMLJUHBAXGH-FQEVSTJZSA-N 371.444 4.100 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)o1 40050286 HYWSOJXOUABKCY-DGQXOGAZSA-N 364.445 4.291 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)Nc3cc(C(C)(C)C)ccc3O)ccc21 40144823 XHAHKYTVBRLEJG-UHFFFAOYSA-N 366.461 4.241 0 40 FIAB Cc1cc2nnc(SC[C@@H](O)c3cccc(F)c3)n2c2ccccc12 51227049 FFYQHBVFPMLLGD-QGZVFWFLSA-N 353.422 4.156 0 40 FIAB O=C(c1cccnc1S)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 53988247 JJUJFIPBDVVQRR-UHFFFAOYSA-N 373.865 4.185 0 40 FIAB Cn1c(-c2ccccc2)nn(CNC2(c3ccc(F)cc3)CCC2)c1=S 58168935 WPBPPWXDSWJNBH-UHFFFAOYSA-N 368.481 4.384 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)N(Cc1ccsc1)C1CC1 58208636 MNLSRFPHKBOORJ-UHFFFAOYSA-N 371.487 4.081 0 40 FIAB CNc1nc2c(s1)[C@H](c1cc(Br)ccc1OC)CC(O)=N2 61717719 ZDIIDZKECDDNCK-VIFPVBQESA-N 368.256 4.080 0 40 FIAB COc1cc([C@@H](C)NCc2cc(C)c(OC)c(C)c2)cc(OC)c1OC 67188670 PTTPQIOQQKIAGI-OAHLLOKOSA-N 359.466 4.189 0 40 FIAB O=C(Nc1ccc(Sc2nncs2)cc1)c1cc(-c2ccco2)on1 69491057 XQXBLNHRJVRGFZ-UHFFFAOYSA-N 370.415 4.190 0 40 FIAB O=C(c1cnc2ccccc2c1N1CCc2ccccc2C1)N1CCCCC1 72328373 JHQBJNVTXSZPKV-UHFFFAOYSA-N 371.484 4.424 0 40 FIAB Cc1ccccc1-c1cncc(C2CCN(C(=O)c3ccccc3)CC2)n1 72359324 CUMYXUWPPVUBRO-UHFFFAOYSA-N 357.457 4.472 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 79224938 JIBJZODXWUYPGD-JKSUJKDBSA-N 362.470 4.364 0 40 FIAB CN(CCCC(=O)Nc1ccc2[nH]c(=S)oc2c1)C(=O)OC(C)(C)C 84199830 LWFLJUBNOHKRJA-UHFFFAOYSA-N 365.455 4.076 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCCSCC1 84600470 AHJVZDSMJCMWCN-UHFFFAOYSA-N 353.447 4.466 0 40 FIAB Cc1ccc(C(N)=O)cc1NC(=O)c1cccc2c3c([nH]c12)CCCCC3 89646811 NWNAUYMGNSRBTN-UHFFFAOYSA-N 361.445 4.096 0 40 FIAB C[C@H](CCO)C1(CNC(=O)CCc2ccc(-c3ccccc3F)o2)CCC1 95987110 PRBZJAQPJVHGPP-MRXNPFEDSA-N 373.468 4.323 0 40 FIAB CC(C)C(=O)N1[C@H]2CC[C@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 100224624 FAIZUUFHJPKPCY-WMZOPIPTSA-N 362.477 4.342 0 40 FIAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 106690917 CNCQDZICDGOUKB-BOPFTXTBSA-N 357.406 4.461 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCS[C@H](c2cccs2)CC1 219462838 CAJOLDUXSXHVBF-INIZCTEOSA-N 360.460 4.317 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 222870038 BVIWCAYWRJRJTI-RTBURBONSA-N 356.539 4.463 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 223692444 NAWXNNYATQYOEC-CVEARBPZSA-N 371.477 4.472 0 40 FIAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccccc1 224725681 ZWHNXDAKLURRBQ-VKZJTJHYSA-N 374.440 4.236 0 40 FIAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224867008 KXCNVFZVWTUQLZ-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB COc1cccc(OCCNC(=O)[C@H](C)Cc2cccc3ccccc23)c1 224942365 AZOBZIHEEOSZHP-QGZVFWFLSA-N 363.457 4.222 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(C)cc3)ccc21 225075997 VZDULQTXBFLLMY-UHFFFAOYSA-N 372.515 4.263 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1OC 225543495 LRMPZPGTYJVDNB-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB COC(=O)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 226343896 NYIRKTGUJJOTIH-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB CC(=O)N[C@@]1(C)C[C@H](c2cc(F)c(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257310390 UEWVVCSTVLLTTP-VQRSHMDISA-N 355.400 4.265 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 408680991 VCVDGDDLMHLJGH-HXUWFJFHSA-N 367.489 4.334 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409145982 SUIKDYYTQSZJRD-NBVRZTHBSA-N 353.443 4.364 0 40 FIAB NC(=O)/C=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409416229 JWFGCZVEOVFOGT-YWEYNIOJSA-N 366.642 4.180 0 40 FIAB Cc1cccc(CS(=O)(=O)NCc2nc(C3CCCCC3)cs2)c1 575413968 DTZGKHBLIOCWKE-UHFFFAOYSA-N 364.536 4.119 0 40 FIAB COc1cccc(CC2CCN(C(=O)C3(C(F)F)CCCC3)CC2)c1 585084068 UBYQHCCDGVCGQJ-UHFFFAOYSA-N 351.437 4.302 0 40 FIAB O=C1CC[C@@]2(CCCN(CC3CCCCC3)CC2)N1Cc1cncs1 585100115 FYVNSVAEULKGSH-HXUWFJFHSA-N 361.555 4.071 0 40 FIAB O=C1Oc2c(c(=O)oc3ccccc23)C1(c1ccccc1)c1ccccc1 585139082 YFDBYPGCHFPFOU-UHFFFAOYSA-N 354.361 4.046 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1CN1CCCCC1 589950489 ARQHEVDZHJQTEF-OAHLLOKOSA-N 355.309 4.013 0 40 FIAB C[C@H]1CCCN(C(=O)CC2(CN3Cc4ccccc4C3=O)CCCCC2)C1 1772501682 YTVNJKRATRRBAK-SFHVURJKSA-N 368.521 4.242 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1 858475 NEVBASBPCXKISX-UHFFFAOYSA-N 373.459 4.091 0 40 FIAB CCOc1ccc2cc3c(N)c(C(=O)N4CCC[C@H](C)C4)sc3nc2c1 891626 WJZKOMWVIGGQGP-LBPRGKRZSA-N 369.490 4.303 0 40 FIAB COc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1067817 BGMIFAULNOLKCG-HXUWFJFHSA-N 362.454 4.039 0 40 FIAB aggregator Cc1ccc(S(=O)(=O)n2c(Cc3cccs3)nc3ccccc32)cc1 1099498 ZDLBXYKSYHTGPS-UHFFFAOYSA-N 368.483 4.234 0 40 FIAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1c(F)cccc1Cl 1321140 LBRGCDRLSJRNEF-UHFFFAOYSA-N 371.824 4.361 0 40 FIAB O=c1c2ccccc2nc2n1[C@@H](CSc1ccc(Cl)cc1)CS2 1386902 KBQDDSKLZOBRAH-LBPRGKRZSA-N 360.891 4.489 0 40 FIAB O=C(/C=C/c1cccs1)Oc1cccc(C(=O)NCc2ccccc2)c1 3309453 ZWLARXMKZURTAB-VAWYXSNFSA-N 363.438 4.297 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 3442022 AYWGNGXTFLKEAT-UHFFFAOYSA-N 352.463 4.037 0 40 FIAB C[C@@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902443 SORISAYAZBCIQH-VCMWWZGJSA-N 351.284 4.372 0 40 FIAB CCCCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4554906 ZRCMDYPMTHFTAF-XMMPIXPASA-N 373.452 4.447 0 40 FIAB Cc1csc2nc(SCCOc3ccc(Cl)cc3)[nH]c(=O)c12 4997998 UUQFINFVCIAEPK-UHFFFAOYSA-N 352.868 4.118 0 40 FIAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc2ncsc2c1 5281907 MJUSYLYAIKWOBG-UHFFFAOYSA-N 361.806 4.078 0 40 FIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5383313 AIBWHDYZKNWYQQ-CDXCJDFSSA-N 354.490 4.453 0 40 FIAB CCCc1cc2c(=O)c(-c3ccc(C(=O)OCC)o3)c(C)oc2cc1O 5900289 SBJWLYSVWLZCGZ-UHFFFAOYSA-N 356.374 4.196 0 40 FIAB biogenic O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccco2)nc2ccccc12 6342255 LWWVNTCTANWKHL-UHFFFAOYSA-N 372.380 4.154 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 6810498 MNNUVUUVKGHRDO-UHFFFAOYSA-N 368.846 4.243 0 40 FIAB O=C(Nc1ccc(N2CCCC2)cc1)c1c(F)c(F)c(F)c(F)c1F 6970671 ZFCKZXHSVYEPPU-UHFFFAOYSA-N 356.294 4.235 0 40 FIAB CN(CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1cccs1 7215392 BKTQPQLIWRISSZ-UHFFFAOYSA-N 357.523 4.199 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C 7217423 LIVVITLDLCVEPT-KRWDZBQOSA-N 372.515 4.439 0 40 FIAB CCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1OCC 7734855 YMNVIQYMWBTVFW-UHFFFAOYSA-N 367.367 4.433 0 40 FIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCCc1cccs1 7798278 ZBULABNFUSYDSL-UHFFFAOYSA-N 355.459 4.111 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(F)c(F)c1 7922146 ZYAWUWPGVUGHAD-NSHDSACASA-N 361.417 4.206 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1 8060126 ITRPHQBTOPWYDJ-UHFFFAOYSA-N 369.421 4.468 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8316235 NZXQECJNKCFHMC-QGZVFWFLSA-N 356.397 4.356 0 40 FIAB O=C(OCc1nnc(-c2ccc(Br)cc2)o1)C1CCCCC1 8883984 RBVWLQTZDLAZDV-UHFFFAOYSA-N 365.227 4.123 0 40 FIAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1C 8917438 PQGBOSPLJBVTLO-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CC(=O)c1cc(CCC(=O)Nc2ccccc2Br)oc1C 9114452 YAVNGIVGKVDLOH-UHFFFAOYSA-N 350.212 4.124 0 40 FIAB O=c1[nH]c(-c2ccc3c(c2)OCCO3)nc2sc(-c3ccccc3)cc12 9690216 CPBONKXHNGAZRZ-UHFFFAOYSA-N 362.410 4.090 0 40 FIAB COc1ccc(-c2c(C(C)C)nn3c4c(nnc23)C(=O)CC(C)(C)C4)cc1 10156972 QNGKRRRZWUJOES-UHFFFAOYSA-N 364.449 4.078 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(Cl)c1 10768382 TUNDUWYRJQXHPX-GFCCVEGCSA-N 357.841 4.128 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1 10796181 NLNAQHZMNLSNSY-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB CC(C)n1c([C@@H](C)NC(=O)Cc2c(F)cccc2Cl)nc2cccnc21 12114090 CDKYQYFFIIDVPJ-GFCCVEGCSA-N 374.847 4.225 0 40 FIAB Cc1c(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)[nH]c2ccccc12 12119274 GNGYREXTQSBRFC-INIZCTEOSA-N 361.445 4.221 0 40 FIAB CC(C)c1ccc(OCC(=O)NCc2cc(-c3cccs3)on2)cc1 12235846 MPBCCSSCPIFBCY-UHFFFAOYSA-N 356.447 4.222 0 40 FIAB Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)O)ccc21 12436958 GXBPBSHYJLCNRT-RGEXLXHISA-N 370.408 4.187 0 40 FIAB C[C@H](Sc1ncc2ccccn12)C(=O)Nc1ccc(OC(F)F)cc1 12556733 QRWSWYXBPKYOCM-NSHDSACASA-N 363.389 4.055 0 40 FIAB O=C(COc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)F)cc1 12563661 NLSMNVSHSZUBDF-UHFFFAOYSA-N 364.245 4.137 0 40 FIAB CC[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc(Cl)cc1 12806523 VBKZJDXDYVSGOV-QGZVFWFLSA-N 359.857 4.119 0 40 FIAB CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc(Cl)cc2)c1 13670697 WQLKWJKHXNHMBL-UHFFFAOYSA-N 367.898 4.038 0 40 FIAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc3cc[nH]c3c2)cc1 13693190 HPGOUDJAYTZEJC-UHFFFAOYSA-N 365.433 4.445 0 40 FIAB CCCc1cc(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)sc1C 14202390 FMDGKZQIEOQOGM-UHFFFAOYSA-N 358.507 4.303 0 40 FIAB C[C@H](NC(=O)CN(Cc1ccccc1F)C1CC1)c1ccccc1Cl 14247199 BWBTYKCLEQVHSJ-AWEZNQCLSA-N 360.860 4.321 0 40 FIAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 15180806 FUEWHSFPYHFUHV-JOCDYNSVSA-N 351.402 4.481 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 15598706 WIIFFJSPTFCIEO-FQEVSTJZSA-N 364.445 4.021 0 40 FIAB Cc1ccc(SCCCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 15822875 QVTKIBTXBKLAOB-UHFFFAOYSA-N 374.531 4.155 0 40 FIAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(O)c(C(=O)O)c1 20144924 XMLJNDCHSKYBKD-UHFFFAOYSA-N 369.417 4.156 0 40 FIAB FC(F)(F)c1cnc(NCCNc2cnc3ccccc3n2)c(Cl)c1 20458549 JIMZQEWETCCYGN-UHFFFAOYSA-N 367.762 4.221 0 40 FIAB O=c1c(I)c(-c2ccccc2)oc2ccc(F)cc12 21997155 KTLVQPPNYAVNOO-UHFFFAOYSA-N 366.129 4.204 0 40 FIAB O=C(Nc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)s1)C1CC1 22416466 OJNJGFMYTURRHW-UHFFFAOYSA-N 358.438 4.041 0 40 FIAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)N1CCc2ccccc2C1 23127260 QJSKRVGOHQHJHC-UHFFFAOYSA-N 358.397 4.215 0 40 FIAB Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c2ccccc2n1 23738884 HBGYSUPVTIPIMN-QFIPXVFZSA-N 359.473 4.110 0 40 FIAB Cc1nc2ccccc2nc1SCC(=O)N(C)[C@H](C)c1ccc(F)cc1 28191671 KRAAYWPHFJLXKI-CQSZACIVSA-N 369.465 4.389 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(NC(=O)C2CC2)c1 29170164 PIWAXRCBPHTIJC-XPGWFJOJSA-N 372.509 4.451 0 40 FIAB CC(C)c1ccc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1 29525837 IVYZIXBIXHFGEG-UHFFFAOYSA-N 365.502 4.382 0 40 FIAB C[C@H](NC(=O)CNc1ccccc1N1CCCCCC1)c1cccs1 29934657 PMMQNGAGZQUUPM-INIZCTEOSA-N 357.523 4.418 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)cc1 32091644 ZICJBTLUMQMENW-UHFFFAOYSA-N 353.809 4.341 0 40 FIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc2ccccc2[nH]1 32747983 PPFCZSATFHJQSU-FQEVSTJZSA-N 367.880 4.388 0 40 FIAB Nc1ccc(NC(=O)c2ccccc2Br)c(Br)c1 36738595 CVPSCMKCWDZYPQ-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB NC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3F)s2)c1 40079897 HJDOYFDDVQNGGD-UHFFFAOYSA-N 355.394 4.297 0 40 FIAB Cc1nc(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c2)n[nH]1 40152549 CHLYJGDHGOSFKS-GFCCVEGCSA-N 370.840 4.148 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 47716389 UTSRYVOWIUAMGM-MAUKXSAKSA-N 361.486 4.142 0 40 FIAB CC[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1cc(C)on1 48346209 DTGVFFMIEPEPLS-ZDUSSCGKSA-N 364.858 4.033 0 40 FIAB Cc1ccc(Br)cc1NCc1nc(-c2ccsc2)no1 48658293 DTMDNODTTRSCIB-UHFFFAOYSA-N 350.241 4.481 0 40 FIAB O=C(c1nc2ccccc2s1)N1CCC(COCc2ccccc2)CC1 49028747 GOHCZCJRXWTXLF-UHFFFAOYSA-N 366.486 4.365 0 40 FIAB COc1ccc([C@H]2CCCCCN2Cc2nc(-c3cccnc3)no2)cc1 54612789 MJUNLEBAGIDSDA-LJQANCHMSA-N 364.449 4.258 0 40 FIAB Cc1ccccc1[C@H]1CCCN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 58087157 ORMWZHZHHIBHFE-LJQANCHMSA-N 372.509 4.306 0 40 FIAB O=C1Cc2cc(CNc3nc(-c4cccs4)nc4ccccc34)ccc2N1 58201485 RXTLNSYCFMEEJX-UHFFFAOYSA-N 372.453 4.465 0 40 FIAB Cc1nc(CSc2nc(COc3ccc(Cl)cc3)n[nH]2)cs1 68932650 PBHSRQDZENVYAE-UHFFFAOYSA-N 352.872 4.094 0 40 FIAB CCOc1cc2c(c3[nH]c(C(=O)Nc4ccc(F)c(F)c4)cc13)O[C@H](C)C2 69514748 JDEKQPMOQJAOOZ-SNVBAGLBSA-N 372.371 4.421 0 40 FIAB Cc1cccc2sc(OC3CN(C(=O)c4cc5ccccc5o4)C3)nc12 75166717 MBYKQZLSMOUJTC-UHFFFAOYSA-N 364.426 4.254 0 40 FIAB CC(C)COc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)cc1 79056468 ZXJIBWUHQSCSQT-WOJBJXKFSA-N 357.494 4.014 0 40 FIAB O=C(OC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cnco2)cc1 89834888 YMDPQGYEGUQFNI-GOSISDBHSA-N 362.429 4.021 0 40 FIAB O=C(c1cnc2ccccc2n1)N(Cc1cccnc1)c1ccc(F)cc1 89878655 DDKOSABQTZDUME-UHFFFAOYSA-N 358.376 4.011 0 40 FIAB COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1 95458900 HAKHHJAXWAVHGW-MLGOLLRUSA-N 362.495 4.090 0 40 FIAB C[C@@H](CCO)C1(CNC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)CCC1 95463264 ZZLFDZQLMTVILV-DLBZAZTESA-N 361.526 4.056 0 40 FIAB CC(C)n1c2ccccc2c2c1cc(C(=O)N1CCCC1)n2-c1ncccn1 96146454 KOAGIOBGLOGZPZ-UHFFFAOYSA-N 373.460 4.192 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 96783026 GOKWPAKVOPWSSI-SFHVURJKSA-N 372.852 4.388 0 40 FIAB CN(c1ccccc1)c1ccccc1C(=O)N1CCC(N2CCCC2)CC1 104405210 RVQFFNHORDPQBL-UHFFFAOYSA-N 363.505 4.155 0 40 FIAB CO[C@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl 206855938 RVMCTXILFIMYCR-XAPRQVHKSA-N 362.901 4.296 0 40 FIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Br)S1 222559773 LLQQAKWFFISTAV-UVBJJODRSA-N 374.307 4.433 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(CC)c3C)N21 222692603 GHDUIXSWOLRFRV-AYOQOUSVSA-N 354.523 4.499 0 40 FIAB O=C(COc1ccccc1F)NCCSCc1c(F)cccc1Cl 222774524 TXSLQXCOTHVNGQ-UHFFFAOYSA-N 371.836 4.047 0 40 FIAB C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C)c1ccc(Cl)cc1 223097194 OJLHZHMEHKNMDZ-OLZOCXBDSA-N 366.848 4.263 0 40 FIAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 224228186 YLTDOWDCHNLHJV-LLVKDONJSA-N 374.289 4.183 0 40 FIAB CC(C)Oc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 224526231 FMNYAMMEJLXIRW-UHFFFAOYSA-N 366.505 4.390 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOCc1ccccc1 225144438 PLVUVTSDACQYOV-JOCHJYFZSA-N 367.489 4.056 0 40 FIAB COc1ccc(C2(NC(=S)Nc3ccc4c(c3)OCO4)CCCC2)cc1 225852004 CTKPWODDXVGSTF-UHFFFAOYSA-N 370.474 4.180 0 40 FIAB COc1cccc(OC)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 225995257 JGXLCSFOTZUZQH-UHFFFAOYSA-N 353.340 4.294 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 231425178 MMJJSEJKPCNVLX-WFASDCNBSA-N 359.919 4.294 0 40 FIAB CC[C@H](C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257259104 KWVKLSFONHDZLR-KRWDZBQOSA-N 352.478 4.003 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccc(Cl)s1 390830243 JRHNWZCLFSZACQ-SNVBAGLBSA-N 353.852 4.186 0 40 FIAB O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccco1 408691813 RHDLVYMWTRQADO-UHFFFAOYSA-N 351.181 4.025 0 40 FIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 575618888 WZXFTWMFVNMVRH-MRXNPFEDSA-N 373.378 4.451 0 40 FIAB CCC[C@]1(CO)CCN(C(=O)c2cc(C3CC3)nc3cc(C)cc(C)c23)C1 585085134 JYVWMZBKTMPLBQ-QHCPKHFHSA-N 366.505 4.354 0 40 FIAB Cc1cc(C)c(NC(=O)NCc2ccccc2CC(F)(F)F)c(C)n1 626568369 BQDXUGNDTHJAPT-UHFFFAOYSA-N 351.372 4.433 0 40 FIAB CC1(C)CN(C(=O)NCC(F)(F)C(C)(C)C)[C@@H]1c1nccn1CC1CC1 685938938 UDWNOEGAEUPWQG-CQSZACIVSA-N 368.472 4.067 0 40 FIAB C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(F)c2ccccc12 1323366468 VOFVMNGVMROCGR-PLZCCLBXSA-N 367.464 4.487 0 40 FIAB Cc1ccc(C(=O)NCc2c(C)n[nH]c2C)c(Sc2ccccc2)c1 1528532912 AOPDQQDLFDXBLZ-UHFFFAOYSA-N 351.475 4.416 0 40 FIAB O=C1CO[C@]2(CCCN(C3CCCCCC3)CC2)CN1c1cccc(F)c1 1615117949 ABDVJICWJHWBHU-QFIPXVFZSA-N 374.500 4.136 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)Nc3ccccc3Cl)s2)cn1 1889225601 MTTQABGIAYAVLG-UHFFFAOYSA-N 360.870 4.166 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)cc1 937463 PKAVNQWKMVCEDU-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 1216411 ZWRWIYIMSASKLZ-VGOFMYFVSA-N 370.412 4.081 0 40 FIAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC(C)C)c2c1 1368194 NDMPMVAOFMMBEZ-UHFFFAOYSA-N 369.465 4.361 0 40 FIAB COc1ccc(-c2c(NCc3ccccc3)n3ccc(C)cc3[n+]2C)cc1 1376148 WOBXMVXROTUCSN-UHFFFAOYSA-N 358.465 4.360 0 40 FIAB Cc1noc(C(F)(F)F)c1C(=O)Sc1ccc(C(F)(F)F)cn1 2158609 PPFARRACBZZCQL-UHFFFAOYSA-N 356.247 4.348 0 40 FIAB Cc1nc(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nc(C)c1C 2622625 PJIIHGKAIOIJNM-UHFFFAOYSA-N 369.490 4.437 0 40 FIAB COc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C)n2)cc1 3007361 PZRFMVCTDPSQNW-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB COc1ccc(CNC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 3419685 NGACKPDYTITLKC-UHFFFAOYSA-N 360.457 4.442 0 40 FIAB CCCCOC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 3457065 IOVUDWULBAKXHI-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Br 3961551 WSVCXGNAHAKUDO-UXGAIALJSA-N 352.272 4.166 0 40 FIAB O=C(Nc1nc2ccc(Br)cc2s1)[C@@H]1C[C@H]2CC[C@@H]1C2 4162993 TXCYXHLIVICUCX-IQJOONFLSA-N 351.269 4.434 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@]2(C)C(=O)C1 4775101 XYNRKPILEBARLO-DQZBVAAKSA-N 360.494 4.099 0 40 FIAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2cccs2)cc1 4854588 MHMRRHDJJHQIHD-SFHVURJKSA-N 353.447 4.195 0 40 FIAB CC/C(NCc1ccc(C)cc1)=C1\N=C(c2ccc(Cl)cc2)OC1=O 5464350 HYXGIFOCVADQNV-ISLYRVAYSA-N 354.837 4.363 0 40 FIAB O[C@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 5765771 QHBUYWDPCOLIBA-DHIUTWEWSA-N 360.453 4.493 0 40 FIAB Cc1ccc(Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)cc1 5986844 RRYGIHJVROOGDM-UHFFFAOYSA-N 355.441 4.323 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 6324242 ZIMVHWHNIUPOEC-CQSZACIVSA-N 354.425 4.115 0 40 FIAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 6326877 WNKLZOAGFFXFHM-CXUHLZMHSA-N 361.463 4.046 0 40 FIAB CCN(C[C@H](O)c1cccc(O)c1)C(=O)Nc1cccc2ccccc12 6462923 ONLQJNMNHWIIAD-FQEVSTJZSA-N 350.418 4.133 0 40 FIAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(Br)cc1F 6964436 DRUSIUQAJHQDJK-UHFFFAOYSA-N 361.214 4.490 0 40 FIAB Fc1ccc(NC(=S)NCc2ccc(CN3CCCCC3)cc2)cc1 7402434 DCDRYYCWEHRUMM-UHFFFAOYSA-N 357.498 4.298 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)NCc1ccc(CN2CCCCC2)cc1 7447732 OCDHMFDHSISUMB-JLHYYAGUSA-N 352.453 4.141 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1C 7651935 DBLLMTPJYAUSPG-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(COC(=O)C[C@H]2C=CCC2)cs1 7938204 YMDBXNTVQRYCBP-HNNXBMFYSA-N 356.447 4.227 0 40 FIAB O=C(CCc1ccc(F)cc1)NCc1ccccc1CN1CCCCC1 7941333 MRYUQZFSSRIHBV-UHFFFAOYSA-N 354.469 4.061 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 8007599 DIRUDYHYJKHFLT-SFHVURJKSA-N 374.868 4.132 0 40 FIAB CSc1ccc(C[C@@H]2SC(=O)N(CCOc3ccccc3)C2=O)cc1 8169622 DWKGTTUXDGXCQJ-KRWDZBQOSA-N 373.499 4.094 0 40 FIAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccccc2)c1 8476488 NQZMPPWMTUWDJF-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB COc1ccc(C)c2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc12 8864682 GPLBFSUMEMIPQX-UHFFFAOYSA-N 368.867 4.068 0 40 FIAB COC(=O)[C@H](Sc1nncn1-c1ccc(C)c(Cl)c1)c1ccccc1 9367905 QAKPDLRXSKYRBK-MRXNPFEDSA-N 373.865 4.236 0 40 FIAB Fc1ccc(/C=C/c2nn3c(-c4cc(F)ccc4F)nnc3s2)cc1 9547430 NBFVVLCLGPJERB-FPYGCLRLSA-N 358.348 4.441 0 40 FIAB Cc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1=O 10186251 RNZNHFHIKIUKEY-CQSZACIVSA-N 371.868 4.214 0 40 FIAB Cc1cc(NC(=O)NCCCSc2ccc(Br)cc2)no1 10220888 GCVMCKXFHALFSU-UHFFFAOYSA-N 370.272 4.049 0 40 FIAB CC(C)[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1cccs1 11212848 HKNGFLHLPPLMCO-GOSISDBHSA-N 350.915 4.347 0 40 FIAB O=C(CSc1ncn(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 11941112 PIOLIVYOQCQSFE-UHFFFAOYSA-N 353.491 4.145 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1C 12795671 ZZDBDSYPSVEWJB-LJQANCHMSA-N 351.446 4.442 0 40 FIAB COc1cccc(CNC(=O)c2cccnc2Sc2ccccc2)c1 12805120 QOMUFLVQRWDAFV-UHFFFAOYSA-N 350.443 4.171 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1 12888886 ULSFMMCNHBQTMI-UHFFFAOYSA-N 359.385 4.393 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(F)c(NC(=O)C3CC3)c2)c1 12917364 ZEEVNNNFTXDVDJ-CQSZACIVSA-N 369.440 4.230 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1nncc2ccccc12 13022093 RJTONBHKOUHYGT-UHFFFAOYSA-N 359.838 4.023 0 40 FIAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2cc(C)ccc2C)cs1)C1CCCC1 13987791 RZERMOKJQHMBOD-GOSISDBHSA-N 371.506 4.060 0 40 FIAB CC(C)(C)c1csc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 14793746 FMNDLKZVCKRYNL-UHFFFAOYSA-N 360.439 4.175 0 40 FIAB COc1ccc(OCCNC(=O)CCSc2ccc(Cl)cc2)cc1 16516890 OBRBJIMPSBXPJQ-UHFFFAOYSA-N 365.882 4.026 0 40 FIAB CCOc1ccc(Oc2ccc(NC(=O)Cn3nc(C)cc3C)cc2)cc1 16707483 XBWRZJMISUDXBP-UHFFFAOYSA-N 365.433 4.330 0 40 FIAB Cc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(CCC(C)C)c2ccccc21 20064216 KPZXMRQFCOQRNO-DEOSSOPVSA-N 373.500 4.258 0 40 FIAB biogenic O=c1oc2c3c(ccc2c2c1CCCC2)OCN(Cc1ccccc1F)C3 20391807 ASMJUDWBARINNX-UHFFFAOYSA-N 365.404 4.163 0 40 FIAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccc(F)cc1 23126026 MLKUFWJNSZHGNB-UHFFFAOYSA-N 354.381 4.452 0 40 FIAB Cc1ccc2nc(SCC(=O)N(C)[C@H]3CCCc4ccccc43)[nH]c2c1 23261162 YCVFXHOFNADUTI-IBGZPJMESA-N 365.502 4.499 0 40 FIAB CCOCc1ccccc1CNC(=O)N(C)[C@H](C)c1ccccc1OC 28349071 LBYMDWSLGUPLGI-MRXNPFEDSA-N 356.466 4.134 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)N[C@H](c1ccccc1)c1ccccn1 29319955 IVTKCBHKTIDBKU-PGRDOPGGSA-N 359.473 4.492 0 40 FIAB CC[C@@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 30142434 LNWKWWAUHFITNM-OAHLLOKOSA-N 353.491 4.045 0 40 FIAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@H](c1ccc(F)cc1F)O2 30819468 TVYWTLKCWSSEPR-OAHLLOKOSA-N 356.324 4.395 0 40 FIAB Cc1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c(C)n1Cc1ccccc1 33066681 JKPBLSNDFXMMBB-UHFFFAOYSA-N 373.456 4.290 0 40 FIAB CCc1ccc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)cc1 33591180 JYIGGHLTFREBJY-QGOAFFKASA-N 364.470 4.483 0 40 FIAB Cc1ccccc1SCC(=O)OCc1nc2cc(Cl)ccc2n1C 36394034 GBQFGTURYDLQKX-UHFFFAOYSA-N 360.866 4.371 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)c1 40288270 XVGFPSMUCYORSU-MRXNPFEDSA-N 355.344 4.283 0 40 FIAB CN(Cc1csc(Br)c1)C(=O)c1cc(N)ccc1Cl 42359883 UWEBOIXSQYSNHD-UHFFFAOYSA-N 359.676 4.018 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 44029534 UBSCTRWFBGWXST-CYBMUJFWSA-N 360.483 4.396 0 40 FIAB NC(=O)c1cccc(-c2nc(-c3cccc(Br)c3)cs2)c1 48354276 FPGLSAKUODOSFY-UHFFFAOYSA-N 359.248 4.339 0 40 FIAB O=C(c1ccccc1-n1cccn1)N1CCC[C@@H](c2nc3ccccc3o2)C1 52620809 VIUJRMPAEUAVQK-MRXNPFEDSA-N 372.428 4.033 0 40 FIAB COCCn1cc(NC(=O)N2CCC[C@@H]2c2cccc3ccccc23)cn1 55089950 HQHJVQGUACNDGQ-HXUWFJFHSA-N 364.449 4.052 0 40 FIAB O=C(CN1CCc2sccc2C1)N[C@@H](c1ccccc1)c1cccs1 57381123 QRDOBFSVRILIGP-FQEVSTJZSA-N 368.527 4.074 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC(CCc2ccc(O)cc2)CC1 58201331 XNQOTQWCQDHKCE-UHFFFAOYSA-N 366.486 4.487 0 40 FIAB CC(C)c1n[nH]c(NC(=O)Cc2ccccc2C(=O)O)c1-c1ccccc1 71284498 CFKNKPNZJXIDGV-UHFFFAOYSA-N 363.417 4.080 0 40 FIAB CSc1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72216980 WXLVCLUMCRAYDB-KRWDZBQOSA-N 362.520 4.028 0 40 FIAB CC(=O)Nc1cc(NC(=O)CCN2c3ccccc3CC[C@@H]2C)ccc1C 72301599 ZWJUNGHXUYOJOS-INIZCTEOSA-N 365.477 4.123 0 40 FIAB CCOC(=O)c1cccc(-c2nc3ccc(C(=O)OCC)cc3s2)c1 73740510 QXPIJSPPJOJNBS-UHFFFAOYSA-N 355.415 4.317 0 40 FIAB CCC[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc(NC(C)=O)cc1 79106859 HTHBQUTVEFGQMW-FQEVSTJZSA-N 365.477 4.205 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCC(CSc2ccccn2)CC1 85557539 IXRQQJXVYPKRMU-UHFFFAOYSA-N 352.459 4.472 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccc2c(c1)OCO2 95116684 BULRUKWSJCPPLS-AWEZNQCLSA-N 366.398 4.061 0 40 FIAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H](O)c2ccccc21 96012547 WKMHZSKTUFEJSH-HNNXBMFYSA-N 372.273 4.016 0 40 FIAB CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 98212253 APPIZHVJYRHGQS-GOSISDBHSA-N 363.417 4.113 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)C31CC1 100116497 YKNXPBGMSRCWMF-TXFQPVFDSA-N 367.754 4.060 0 40 FIAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CCOc1ccccc1 106754911 FWFMXPNSZBZBOQ-DQBOXZGESA-N 351.427 4.358 0 40 FIAB Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3ncn(C)n3)cc2)c1C 183965784 FTYKZQBBVCTWKK-FQEVSTJZSA-N 360.461 4.076 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222735282 SATYYRXPCKGWBG-SJLPKXTDSA-N 369.461 4.109 0 40 FIAB CCc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 223291042 AWXYKALRHONURY-LJQANCHMSA-N 353.462 4.219 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(F)cc1 224457721 URHFUGVLYDLGFA-FQEVSTJZSA-N 367.420 4.332 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2CCCCCC2)c1 224949895 VPAQHCVVDPKUKC-IBGZPJMESA-N 360.542 4.268 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225732848 IOBIYSFMOJPSAP-ACJLOTCBSA-N 357.878 4.288 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2C[C@@H](C)C[C@@H](C)C2)c(C)cc1N 226331659 VWJUMBVLMGVQAK-GASCZTMLSA-N 367.493 4.320 0 40 FIAB CCOc1ccccc1N(Cc1c(Cl)cccc1Cl)S(C)(=O)=O 408625024 HROYVHBCHKERFJ-UHFFFAOYSA-N 374.289 4.358 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(Cl)c1 408706127 VQGHLXSMNFFRBP-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB O=C(CSCc1ccccc1Cl)NCCSCc1ccco1 408920616 KHDVORNFDLHLPC-UHFFFAOYSA-N 355.912 4.216 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@@H]1c1ccccc1OCC 408985321 AOLNFMCGTKKUTR-QGZVFWFLSA-N 358.463 4.243 0 40 FIAB CC(C)C[C@H]1COc2ccccc2CCCCCC2(CCNCC2)C(=O)N1 643555151 JFZRDSVQMVQQEE-FQEVSTJZSA-N 372.553 4.083 0 40 FIAB COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CC[C@@H]2C[C@H]2C1 665892884 JQDIXUIEHVZGFE-CVEARBPZSA-N 370.424 4.287 0 40 FIAB CC(C)c1ocnc1C(=O)Nc1nc(-c2ccccn2)nc2sccc12 1131762941 FSXIAFIKRRQEMC-UHFFFAOYSA-N 365.418 4.117 0 40 FIAB COc1ccc(Cc2nnc(NC(=O)CCC3CCCCC3)s2)cc1 789942 JJEDSRPKIZIWRB-UHFFFAOYSA-N 359.495 4.437 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 869035 MGNOKRHXCKWPNP-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COc1ccc(N2C(=S)CO[C@@H]2c2ccc(Br)cc2)cc1 1099814 KZNBZDSNQBPTMW-MRXNPFEDSA-N 364.264 4.321 0 40 FIAB O=c1c2ccccc2nc2n1[C@H](CSc1ccccc1Cl)CS2 1405464 PYQUNHLTYFAPLB-LLVKDONJSA-N 360.891 4.489 0 40 FIAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)c1 1447696 UYMPTKIKEQDZNI-UHFFFAOYSA-N 370.456 4.233 0 40 FIAB CCOC(=O)/C(=C/c1cn(C(C)=O)c2ccccc12)[P@@](C)(=O)OCC 1643295 XNEKNLQBLPJNNT-AZEQANGOSA-N 363.350 4.150 0 40 FIAB Fc1cccc(-c2nnc3sc(-c4cc(F)c(F)c(F)c4F)nn23)c1 2183258 AODMNBQERXREIM-UHFFFAOYSA-N 368.290 4.215 0 40 FIAB C[C@@]12C[C@H](NC(=O)N1c1ccc(Br)cc1)c1ccccc1O2 2601935 MUNYKKGQXDJTRI-WMLDXEAASA-N 359.223 4.219 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(C)c2)c1C 2629680 FQCUBGOLILDSFV-UHFFFAOYSA-N 362.429 4.210 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)C(c1ccccc1)c1ccccc1 3448914 HIGLSCZYVMEGTR-OAQYLSRUSA-N 374.484 4.365 0 40 FIAB COc1cccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)c1 4356551 UMFJWAHCAXRRGV-UHFFFAOYSA-N 354.406 4.266 0 40 FIAB Cc1ccn2cc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc2c1 4370823 UIZFMXZIDFYREK-UHFFFAOYSA-N 357.413 4.327 0 40 FIAB CCOc1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1 4372264 RWXNRLJWWKQCPH-LPHOPBHVSA-N 358.438 4.159 0 40 FIAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2cc(C)c(C)cc2C)cc1 4671166 HMIMFFOJXGTUGC-UHFFFAOYSA-N 370.474 4.182 0 40 FIAB CC(C)(C)NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 4827441 SXDSHNXIZHPOIL-UHFFFAOYSA-N 368.458 4.035 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 6592510 KYHNOEANJUZNSO-AWEZNQCLSA-N 359.397 4.189 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc3ccccc3c2)c1C 7223805 IQPAIOCKTCVHBV-AWEZNQCLSA-N 350.418 4.255 0 40 FIAB Cc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1 7602655 LAKTVVWKESZPLM-UHFFFAOYSA-N 360.870 4.225 0 40 FIAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 7928136 UVKVILPWFOUKJG-AWEZNQCLSA-N 372.852 4.039 0 40 FIAB O=C1C(=O)N(CCCOc2cccc3ccccc23)c2ccc(Cl)cc21 8064165 VCGPPVJYGITGFQ-UHFFFAOYSA-N 365.816 4.492 0 40 FIAB COc1ccc2cc([C@@H](C)C(=O)Nc3nnc(C4CC4)s3)ccc2c1 8345549 XRDTTYSILLAWFB-LLVKDONJSA-N 353.447 4.320 0 40 FIAB COc1ccc(C)cc1-n1c(SCCC(C)=O)nnc1-c1cccs1 8392550 AZIOHBRYZCSHKT-UHFFFAOYSA-N 373.503 4.384 0 40 FIAB Cc1cc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)c(C)n1C1CC1 8752541 PXVXXWGSIGCIEH-UHFFFAOYSA-N 358.511 4.266 0 40 FIAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccccc2)cc1 8916057 UFMYGIHMSWIIHR-AWEZNQCLSA-N 351.406 4.266 0 40 FIAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2 9175800 JCKHYNMIUPGSQN-UHFFFAOYSA-N 357.369 4.211 0 40 FIAB Cc1ccc2cc3c(NC(=O)c4ccncc4)nn(CC(C)C)c3nc2c1 9328904 RTSIQDWEIBQVRH-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB COCCn1cc(CNC2(c3ccc(OC)cc3)CC2)c2ccccc21 12238656 LJNGANKDMOMGNO-UHFFFAOYSA-N 350.462 4.075 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 14023395 CGDCDSLTJGXLTH-UHFFFAOYSA-N 366.417 4.198 0 40 FIAB COc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Cl 15086456 CHAQDNDRYDHNDY-UHFFFAOYSA-N 358.747 4.418 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCC2)cc1 15831530 MEFOAIPIBIKBGV-HXUWFJFHSA-N 372.553 4.230 0 40 FIAB O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cccs2)cc1 17064208 ADGXLEKJOWXZPB-UHFFFAOYSA-N 354.406 4.070 0 40 FIAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc2ccccc12 17178577 BHUZOULYAIRSDE-HSZRJFAPSA-N 374.484 4.033 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)OC)c1C 20461372 WJQGDNLVGFMVMG-INIZCTEOSA-N 361.825 4.231 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1C 20612002 VVNDCYIDIZWLLT-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CN(CCN1C(=O)c2ccccc2C1=O)C(c1ccccc1)c1ccccc1 21579117 JXXTZZUEVZYSDZ-UHFFFAOYSA-N 370.452 4.004 0 40 FIAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1C 21797985 BWDQQRUBDOQUAO-UHFFFAOYSA-N 358.445 4.454 0 40 FIAB CCOc1ccccc1NC(=O)NC[C@H](c1ccsc1)N1CCCC1 22766960 UENNDDZKCMTHOF-QGZVFWFLSA-N 359.495 4.105 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nnc3ccc(C(F)(F)F)cn23)c1 24141695 HBLQYRHPEOJZRI-UHFFFAOYSA-N 365.380 4.340 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(Cl)cc1 30367295 DHMPGHJUFHQZKA-COKXLDBZSA-N 355.821 4.446 0 40 FIAB O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc2c(c1)OCO2 32477122 ABIGOCABQAEFHG-UHFFFAOYSA-N 350.374 4.032 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1C 32487867 VJEWRLSPNWJMEK-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB O=C(OC[C@@H]1CCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12 32666404 SPSBLTBTFSRPTH-INIZCTEOSA-N 351.377 4.377 0 40 FIAB O=C(CSc1ccc(F)cc1)N(Cc1cccs1)C[C@@H]1CCCO1 32819206 SPCHDPBRJUIPDO-HNNXBMFYSA-N 365.495 4.187 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1Cc2ccccc2O1 32854824 YDYLUJWSJMNJNH-LJQANCHMSA-N 351.402 4.060 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@H](C)c3nc(-c4cccnc4)no3)cc2c1C 32876054 RMIFATNZUSTNEC-CYBMUJFWSA-N 362.389 4.148 0 40 FIAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 33692333 LCHHKAQCJBIDHU-BFQNTYOBSA-N 374.485 4.011 0 40 FIAB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)cc1 35043323 MRJRCLPNZSQFOY-MHWRWJLKSA-N 371.849 4.381 0 40 FIAB CCOc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289366 NXCIDIGRKJIMPS-LJQANCHMSA-N 367.449 4.029 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 35289624 GTGBQPGIONZRLG-LJQANCHMSA-N 351.450 4.247 0 40 FIAB Cc1nccn1C[C@@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 36752908 DPBAZJNSGLGGGH-HXUWFJFHSA-N 352.526 4.094 0 40 FIAB CC(C)(C)c1cn2nc(NC3CCN(Cc4ccccc4)CC3)sc2n1 40051234 BEOJNBVSVFOLEI-UHFFFAOYSA-N 369.538 4.165 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)NCCc2ccccc2C)o1 40130689 YLJIRHQQGQNCBF-UHFFFAOYSA-N 365.429 4.148 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)nc1 40154797 VTTMJGHYDKCOOJ-KRWDZBQOSA-N 369.534 4.010 0 40 FIAB CC[C@@H](C)c1ccccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 42783174 WFEGKQDJVJBDSU-YCPHGPKFSA-N 363.454 4.042 0 40 FIAB CC(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078836 BCQUFKXVPGITBZ-UHFFFAOYSA-N 356.853 4.071 0 40 FIAB C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CC(=O)N2 47155234 TWOXUNLRUUKGFQ-SNVBAGLBSA-N 363.339 4.083 0 40 FIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC[C@H](O)c1ccccc1 48314281 HEDHJGGVDLCPCC-QHCPKHFHSA-N 370.452 4.158 0 40 FIAB CCn1cc(NC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cn1 56500532 OJAUETRWFNGKGF-GOSISDBHSA-N 352.463 4.144 0 40 FIAB Cc1ccc([C@H](C)NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1 57991662 LFFUJCDAOFJJKO-VIFPVBQESA-N 365.202 4.462 0 40 FIAB O=C(CSCCCc1ccccc1)Nc1ccc2c(c1)OCCCO2 57996264 FMEJCPXBEBVEGE-UHFFFAOYSA-N 357.475 4.152 0 40 FIAB CCOc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58434035 HDWWRHVEYXNKCU-LLVKDONJSA-N 374.491 4.268 0 40 FIAB COc1ccc2oc(-c3ccc(CNC(=O)c4ccccc4)cc3)nc2c1 67207093 JJMCGXOKCWTCCX-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB O=C(NC[C@](O)(c1ccccc1)C1CC1)Nc1ccc(Cl)c(Cl)c1 70969636 CXXNOCXIPQSVMV-SFHVURJKSA-N 365.260 4.413 0 40 FIAB CCN(C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72212807 JDPJLKUYDPHSCG-LJQANCHMSA-N 353.466 4.402 0 40 FIAB COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)nc2c(C)cc(F)cc12 72329534 OEFAVPBGOLENPG-HNNXBMFYSA-N 366.436 4.442 0 40 FIAB Cc1oc(C)c(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1C 73565673 HMXHOCHHWJYATO-LJQANCHMSA-N 363.461 4.257 0 40 FIAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Cl)c1 89827796 WTQDIKVSDWSHPI-GOSISDBHSA-N 370.836 4.273 0 40 FIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 100725057 HZLMGZJTPOTYLZ-BGJURXJTSA-N 371.436 4.345 0 40 FIAB O=C1/C(=C/c2ccc3cccc(Cl)c3n2)NC(=S)N1c1ccccc1 101179093 VTIYFWJPEKWOSF-WJDWOHSUSA-N 365.845 4.150 0 40 FIAB CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(O)CC(C)(C)CC1=N2 102666089 GVIKQXCSLLYLMJ-MRXNPFEDSA-N 370.478 4.403 0 40 FIAB CC(C)N(Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC2)cc1)C[C@@H]1CCCCO1 108164019 UQVOMRMVIYDFTC-FDFHNCONSA-N 370.537 4.451 0 40 FIAB COc1ccccc1S(=O)(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 108402898 KEPDSKKOLRSVRM-SFHVURJKSA-N 370.474 4.092 0 40 FIAB COc1ccccc1[C@H](C)CC(=O)NC[C@H](O)c1ccc2ccccc2c1 109689637 QUEZHVFGRVTPTB-IERDGZPVSA-N 363.457 4.192 0 40 FIAB CN(CCNC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 219128887 AEHBLKIQGVEKJA-UHFFFAOYSA-N 358.485 4.461 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(C)c1C 222821783 ZEQZZLTVKLAKGO-SFHVURJKSA-N 353.462 4.409 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(OC(C)C)cc1 222863051 ZQGNFJCTFLDRPO-NRFANRHFSA-N 355.478 4.380 0 40 FIAB O=C(CSCc1ccc(F)cc1)NCCOc1cccc2ccccc12 223549095 RUGCJQJEIUCWNV-UHFFFAOYSA-N 369.461 4.407 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1C 224289261 TVFAXYXYTXNFGS-GOSISDBHSA-N 363.457 4.419 0 40 FIAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 224553844 XMHHXZJHJJDAHS-ROUUACIJSA-N 367.499 4.329 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc3c(c1)OCO3)CC(C)(C)O2 225673553 CICWSISYJRRKRY-OAHLLOKOSA-N 370.474 4.313 0 40 FIAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C)cn2)cc1OCC 225752263 POCAXQGPOMJGOJ-CQSZACIVSA-N 359.495 4.235 0 40 FIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225799059 DSPSQUBFSMHBBC-UHFFFAOYSA-N 353.397 4.318 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225799596 BAGZKPOYBWTZMW-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C(=O)OC 225818458 GHOZLODXJPCXDF-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408703942 WOZWJYTVEXMTRT-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2nccc3sccc23)CC1 585083867 FCRDQPRABQDNIZ-CQSZACIVSA-N 370.522 4.465 0 40 FIAB CSCc1cccnc1C(=O)N(Cc1ccccc1)[C@H]1COC(C)(C)C1 598854277 RXURFHVQCVFZKR-GOSISDBHSA-N 370.518 4.155 0 40 FIAB C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 607204882 UQTMQPYCIIVEIS-UWVGGRQHSA-N 354.332 4.018 0 40 FIAB Clc1cnc(N2CCC(N3CCc4sccc4C3)CC2)c(Cl)c1 1776001747 JPPFLYPEBPJMMU-UHFFFAOYSA-N 368.333 4.477 0 40 FIAB CC(=O)N(c1nc(COC(=O)C(C)C)cs1)c1c(C)cc(C)cc1C 11078858 HDAJMBNCGKBNQQ-UHFFFAOYSA-N 360.479 4.452 0 40 FIAB CCc1cccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11073209 LCXXWIFMXVZYMX-UHFFFAOYSA-N 360.457 4.425 0 40 FIAB CC[C@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1OC(F)F 31756118 SSCDNMJAIFFJOY-INIZCTEOSA-N 362.376 4.128 0 40 FIAB O=C(CSc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccccn1 36836104 BVVUUOUEGYZPMM-HXUWFJFHSA-N 352.434 4.219 0 40 FIAB CCC[C@@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)O)C12CC3CC(CC(C3)C1)C2 4650989 XEUBJIMTTAHGPC-GQSADKIBSA-N 361.526 4.379 0 40 FIAB CCCC(=O)OCCC[C@@H](CC[C@@H](C)OC(=O)CCC)OC(=O)CCC 4684116 CBYWYTIHGQZVDT-SJORKVTESA-N 372.502 4.334 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)Cc1c[nH]c2ccccc12 6384036 OWNWMBUFIZFAQG-UHFFFAOYSA-N 351.402 4.055 0 40 FIAB COc1ccc(CNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 6582913 ZJHFERLYAPXGEL-UHFFFAOYSA-N 361.441 4.152 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2F)c(C)c1 6629961 UUAIKXIRKKMYLY-UHFFFAOYSA-N 359.470 4.107 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)no2)cc1 27579908 YXFZSFJOYWFOAP-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(C)c3)n2)c1 21806550 PSYXSTSAQHEDEM-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1 12062629 FLYUBFFLWXCTQV-UHFFFAOYSA-N 357.797 4.431 0 40 FIAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1-c1ccc(CO)o1 20137152 KJSKZXRKCSSYNG-UHFFFAOYSA-N 371.820 4.282 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)c3cc4ccccc4c(=O)[nH]3)ccc2o1 33215897 ITDZCAROEVSCIS-UHFFFAOYSA-N 361.401 4.219 0 40 FIAB O=C(Oc1ccccc1)c1cc(Br)ccc1Br 683266 KFCJXDACXIJZMM-UHFFFAOYSA-N 356.013 4.431 0 40 FIAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 661007 OMSCXUZAOCYOJB-LDADJPATSA-N 352.409 4.216 0 40 FIAB Cc1cccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)c1 645171 LBIAEZWOKRAQLJ-UHFFFAOYSA-N 353.447 4.090 0 40 FIAB CN1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3c(F)cccc32)CC1 22865454 IKXXECKUUBDKNV-QGZVFWFLSA-N 362.901 4.475 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC2CCCC2)cc1 12545956 PMTUSRYHYDSXEP-OAHLLOKOSA-N 354.450 4.456 0 40 FIAB COc1cc(NC(=O)N[C@H](C)c2cc(C)ccc2C)cc(OC)c1OC 43169745 QENXEWHRQQBBFE-CQSZACIVSA-N 358.438 4.212 0 40 FIAB Fc1cc(-c2nccc(-c3ccco3)n2)ccc1I 1406415 BPXWNUKUMVALFW-UHFFFAOYSA-N 366.133 4.147 0 40 FIAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 57475472 IUMQNVOSSVIGOD-QHCPKHFHSA-N 373.500 4.367 0 40 FIAB CCOC(=O)/C=C1\CCC(C(=S)Nc2ccccc2)=C1N1CCCCC1 3219712 AERAKOOFIKEUMX-FOCLMDBBSA-N 370.518 4.449 0 40 FIAB CSCc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12620543 VAEQBGDQLZNRCI-GOSISDBHSA-N 368.502 4.041 0 40 FIAB CCN(CC)CCNCc1ccc(OCc2ccccc2C)c(OC)c1 22074938 BRYMGMRRRCWECL-UHFFFAOYSA-N 356.510 4.014 0 40 FIAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)cc2Cl)C(C)C)cc1 3354704 DUFJQMHSGAJESV-SFHVURJKSA-N 374.868 4.050 0 40 FIAB O=C(COC(=O)Cc1c(F)cccc1Cl)Nc1cccc2ccccc12 3312365 VJGNUWSFFCRMSO-UHFFFAOYSA-N 371.795 4.357 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(F)cc1F 12798634 ZFZACVZMDVVVSR-UHFFFAOYSA-N 356.376 4.089 0 40 FIAB Cc1ccccc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1 10366108 KIBVXZRTCCRTES-UHFFFAOYSA-N 356.422 4.351 0 40 FIAB O=C(CNc1ccc(-c2ccccc2)cc1)Nc1cccc2nsnc12 58420600 VZHGGIZSMZITDZ-UHFFFAOYSA-N 360.442 4.409 0 40 FIAB Cc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)c1 306123336 AKLYWWGRPBWFGZ-OAQYLSRUSA-N 365.502 4.095 0 40 FIAB COc1cc(C(C)=O)ccc1OC(=O)c1ncc(Cl)c(Cl)c1Cl 12910842 MBXINRMJOFZYFD-UHFFFAOYSA-N 374.607 4.472 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 12926141 WFBPDBNPPOXVMN-UHFFFAOYSA-N 369.852 4.004 0 40 FIAB Cc1c([C@@H](C)OC(=O)c2cccc(C(F)(F)F)c2)sc2ncnn12 4091678 TXALFIOZHWDJOH-SECBINFHSA-N 355.341 4.036 0 40 FIAB O=C(Cc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 13548943 RMRFEJYKOPKCMH-UHFFFAOYSA-N 353.491 4.187 0 40 FIAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)N1CCCCCC1 4140936 PCZZECUBTYZBHN-UHFFFAOYSA-N 366.383 4.097 0 40 FIAB O=C(COC(=O)c1nccc2ccccc12)Nc1cccc(C(F)(F)F)c1 64875274 AEDPODYBPMPDCI-UHFFFAOYSA-N 374.318 4.049 0 40 FIAB CCCCn1nc(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2c1=O 6138539 VTSMXJZFMLWVIV-UHFFFAOYSA-N 373.815 4.241 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 28210928 WBJOAJDNNLGKPM-UHFFFAOYSA-N 368.786 4.028 0 40 FIAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccco3)ccc21 65322279 LKXABOXLFVWFHF-UHFFFAOYSA-N 366.465 4.448 0 40 FIAB CC(=O)Nc1cc(-c2nn3c(C(C)C)nnc3c3ccccc23)ccc1C 5324935 FTTXGXVDLPYDBT-UHFFFAOYSA-N 359.433 4.335 0 40 FIAB O=C(CN1CCCSc2ccccc21)Nc1ccc(N2CCCC2)cc1 8188985 HAHKUUJQSLGFJE-UHFFFAOYSA-N 367.518 4.228 0 40 FIAB C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1cccs1 14181436 LHAMPNJXEVQBNF-YMTOWFKASA-N 366.895 4.082 0 40 FIAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCC1)CCC2 4589987 CJRUFENPFOFMQC-UHFFFAOYSA-N 354.475 4.034 0 40 FIAB CCCCn1nc(NC(=O)c2ccncc2)c2cc3cc(C)ccc3nc21 5499277 OMBJBIYOEOMIGR-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1Br 6639250 XGMBHSKUWVPIAT-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccco2)cs1 5855568 NPHFHUPDPAOHHB-UHFFFAOYSA-N 370.430 4.340 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)o2)cc1 5864517 OJLBYZVQZFGMMG-UHFFFAOYSA-N 361.373 4.054 0 40 FIAB Cc1ccccc1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 9683022 SSCQFNNTAUMOMH-UHFFFAOYSA-N 353.447 4.075 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(C[C@H](C)c2ccccc2)s1 9095449 ZZCGAOOETOXQBC-GJZGRUSLSA-N 367.474 4.290 0 40 FIAB O=C(O)c1ccc([C@@H]2SCC(O)=Nc3c2cnn3C2CCCC2)cc1 79493653 XWMQTXLLZCOKDB-INIZCTEOSA-N 357.435 4.121 0 40 FIAB CC(C)CCNC(=O)CSc1nnc(SCc2cccs2)s1 32823803 JNYCYQUJZJSHLP-UHFFFAOYSA-N 373.594 4.146 0 40 FIAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 30854132 XRCVYSTYUXTCCD-UHFFFAOYSA-N 362.429 4.008 0 40 FIAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(Cl)cc1)CC(O)=N2 32097440 DHIGGMPYHVXXKB-LBPRGKRZSA-N 374.231 4.401 0 40 FIAB CC(C)N(c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C)C(C)C 72213000 XPABTDYMSLCANG-UHFFFAOYSA-N 363.502 4.192 0 40 FIAB COc1ccc(NC(=S)Nc2cc(OC)c(Cl)cc2OC)cc1F 71325923 JYWOEIXNELKSBS-UHFFFAOYSA-N 370.833 4.314 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223199920 QFPONFTZTICEQN-VFNWGFHPSA-N 353.462 4.219 0 40 FIAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225519827 FNGKKPCDAZWUSQ-UHFFFAOYSA-N 370.468 4.217 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C)c(C)c1 224468683 VGEJHGOVAMDPGF-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CSc1cc(C(=O)COc2ccc(F)cc2Cl)ccc1NC(C)=O 48362724 RFRXEMYTPVBIJX-UHFFFAOYSA-N 367.829 4.421 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223650613 FICWDVVLQYDQNK-WOJBJXKFSA-N 371.477 4.437 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(-c2cc[nH]n2)s1 574350794 BOXAFRGRTAFCAX-INIZCTEOSA-N 354.479 4.234 0 40 FIAB COc1ccc(C(=O)NC2CC2)cc1COc1ccc(C(C)(C)C)cc1 224178084 XUPQRUSYOINXRH-UHFFFAOYSA-N 353.462 4.464 0 40 FIAB COc1ccc(OC)c(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225114944 ACXPUEHGZZMXKG-LJQANCHMSA-N 358.434 4.076 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225619054 NLEWATRLALFBFX-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB COc1cc([C@H](C)NC(=O)COc2ccccc2)ccc1OC1CCCC1 48339860 NMFBCWLTKHFDIS-INIZCTEOSA-N 369.461 4.273 0 40 FIAB COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)c1 95116634 XOXXWAPEPCOBIP-SFHVURJKSA-N 373.250 4.155 0 40 FIAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Br)cc1F 96171025 GFRLIJFILKOKHX-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257338448 YXLLBNOKVOSKTO-OAHLLOKOSA-N 365.433 4.056 0 40 FIAB CC(C)n1cc(-c2nccnc2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 257318322 VNJYRTPRXYNBAX-OAHLLOKOSA-N 371.485 4.036 0 40 FIAB Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)Cc1ccoc1 90612336 PGCGMKNVJODASV-UHFFFAOYSA-N 365.458 4.182 0 40 FIAB CC(C)[C@H](NC(=O)CCCCCn1cccc1)c1nc2ccccc2n1C 604418563 UWKSECAHSWROPQ-NRFANRHFSA-N 366.509 4.449 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCCCCn1cccc1)CC3 604405914 SWRRJBSGWRUOAM-UHFFFAOYSA-N 365.477 4.123 0 40 FIAB biogenic COc1ccc(CN(C)[C@H](C)c2nnc(-c3cccc(C)c3)o2)c(OC)c1 727238240 QVWQGXGSEKLRCT-OAHLLOKOSA-N 367.449 4.255 0 40 FIAB O=S(=O)(CCc1ccccc1)NCc1ccccc1-c1ccsc1 96383489 HYPBHPAYNJTXJF-UHFFFAOYSA-N 357.500 4.077 0 40 FIAB COc1ccccc1OCC(=O)N[C@H](C)Cc1csc2ccccc12 575621858 WGFBMBRLLRSXCR-CQSZACIVSA-N 355.459 4.036 0 40 FIAB CC(C)Cc1csc2nc(Cc3coc(-c4cccs4)n3)[nH]c(=O)c12 54752704 REWWWHFLNPKUJQ-UHFFFAOYSA-N 371.487 4.490 0 40 FIAB CC(C)[C@@H](O)C1(CN[C@H]2CCCOc3cc(Br)ccc32)CC1 95988233 BVEYUJHFXOYVMI-DOTOQJQBSA-N 368.315 4.050 0 40 FIAB FC(F)(F)Sc1cc(I)ncc1C(F)(F)F 91252792 WRYFIOBOCLYIOG-UHFFFAOYSA-N 373.059 4.317 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)nc1 1615157360 MPPVIUYGYDBXPD-PMACEKPBSA-N 367.468 4.191 0 40 FIAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cccc(Br)c1 5126465 OQGMDLCFMMRLQA-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC(C)[C@H](C)NC(=O)COc1ccc2ccccc2c1Br 5346988 IUIIIOOIAQTJRA-LBPRGKRZSA-N 350.256 4.142 0 40 FIAB COc1ccc([C@@H](NC(=O)CN2CCc3sccc3[C@@H]2C)C(C)C)cc1 12863982 GEVFUEGOLHSNEB-BTYIYWSLSA-N 372.534 4.189 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 14268976 UCUSZWCXIKBRMF-HNNXBMFYSA-N 354.450 4.335 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C(F)(F)F)c1 14790052 DDKXHJKNXQJUBJ-LLVKDONJSA-N 357.759 4.443 0 40 FIAB COc1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 3515828 AJFDOWZKGXBNBX-UHFFFAOYSA-N 354.328 4.044 0 40 FIAB Cc1nc2cc(NC(=O)CCCc3nc(-c4cccs4)no3)ccc2o1 32924471 OQOKZOHAOAERJR-UHFFFAOYSA-N 368.418 4.209 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1c2ccccc2C[C@@H]1C 11694349 QMOMRHNMEWOAQA-AWEZNQCLSA-N 365.408 4.002 0 40 FIAB CCCCOc1ccc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13006645 LESXDYUPDPONRX-UHFFFAOYSA-N 366.505 4.220 0 40 FIAB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 44086987 TWKRURJWSTYPCW-UHFFFAOYSA-N 369.465 4.295 0 40 FIAB CC(C)C[C@@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 23762779 VGBUXPHEIKIHGH-MRXNPFEDSA-N 367.518 4.350 0 40 FIAB Cc1nc2ccc(S(=O)(=O)NCc3ccc(C(C)(C)C)cc3)cc2s1 1089657 LGHRGEJVOFYSHW-UHFFFAOYSA-N 374.531 4.381 0 40 FIAB O=C(CCSc1ncnc2sc3c(c12)CCC3)Nc1ccc(O)cc1 40267843 AZUPNZSVKBKFJG-UHFFFAOYSA-N 371.487 4.007 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 843805 YZIBVLGBTJZSEY-CYBMUJFWSA-N 362.351 4.005 0 40 FIAB COc1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1OC 2222072 WCYAMPKICAMXFR-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB CC[C@H](C)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2396879 GKUHOBMMALOGKZ-ZDUSSCGKSA-N 365.481 4.200 0 40 FIAB CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccc(C)o3)c2c1C 3448698 LPLVTVJIELDYQP-UHFFFAOYSA-N 359.451 4.023 0 40 FIAB COc1ccc(CCNC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 3517631 MFNVJJMFLOWBTR-UHFFFAOYSA-N 361.869 4.175 0 40 FIAB CN(C(=O)c1ccccc1C(=O)OCC(=O)c1ccccc1)c1ccccc1 3601144 HLTKVBWOFYOMCH-UHFFFAOYSA-N 373.408 4.003 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 4026968 OJRADRUMJUVRPG-NCYKPQTJSA-N 356.462 4.211 0 40 FIAB biogenic Cc1csc(NC(=O)CSc2nc(-c3ccccc3C)ns2)n1 4167495 MBSBHXKUJGZCAO-UHFFFAOYSA-N 362.505 4.009 0 40 FIAB COc1ccccc1N1CCN(c2nc(C)nc3c2oc2ccccc23)CC1 4310149 TWBAASVHUKEXDS-UHFFFAOYSA-N 374.444 4.020 0 40 FIAB O=C(Nc1ccc(F)cc1)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269483 YRHZJASYWZYPMB-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(Cl)c1 5613938 ODMHNQHMHRUPLU-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB Cc1c([C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c2ccccc2n1C 6235710 AMYVUJTUBHRBQA-AOMKIAJQSA-N 360.457 4.211 0 40 FIAB COc1cc(COC(=O)Cc2c[nH]c3ccccc23)ccc1OC(F)F 7128498 LQHOEJUTBQQVMC-UHFFFAOYSA-N 361.344 4.064 0 40 FIAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 7224491 IAFQPKHERLNEPW-SNVBAGLBSA-N 366.248 4.391 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(Cl)ccc1F 7941460 DSXKBFDBTMMHBP-UHFFFAOYSA-N 360.860 4.395 0 40 FIAB C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 8267924 YZOBNZRPKFCKSH-MRXNPFEDSA-N 362.473 4.183 0 40 FIAB CCOc1ccccc1NC(=O)CCc1c(C)nn(-c2ccccc2)c1C 8271090 GMQUADDUZIJEQL-UHFFFAOYSA-N 363.461 4.459 0 40 FIAB CCCn1ccnc1SCC(=O)Nc1ccc(C)cc1Br 8718593 VHMRPAMLFCMCPF-UHFFFAOYSA-N 368.300 4.095 0 40 FIAB COc1ccc(C(=O)N2c3ccc(O)cc3C(C)=CC2(C)C)cc1OC 9287381 IPUNPHNUKQTLIP-UHFFFAOYSA-N 353.418 4.252 0 40 FIAB c1csc(Cc2nnc(SCc3ccc4c(c3)OCO4)n2C2CC2)c1 9516766 PRZRKSGVMOIGFH-UHFFFAOYSA-N 371.487 4.286 0 40 FIAB Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1 10260883 ZXBFRAKUVGEKCA-QGZVFWFLSA-N 354.841 4.293 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 10458412 QJDYWFOOBLRCSW-CQSZACIVSA-N 358.869 4.440 0 40 FIAB CC(C)c1cc(C(=O)N[C@@H](c2ccncc2)c2ccc(Cl)cc2)n(C)n1 12148539 SNTYAMMJBJHGIW-LJQANCHMSA-N 368.868 4.111 0 40 FIAB CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 12408766 ANCYVLBWPREUFS-UHFFFAOYSA-N 367.877 4.005 0 40 FIAB COc1ccc(NC(C)=O)cc1N[C@@H](C)c1nnc(-c2cccc(C)c2)o1 12536322 SEMDWJUIBUYTFV-ZDUSSCGKSA-N 366.421 4.185 0 40 FIAB O=C(CSc1ccncc1)N1CCc2sccc2[C@@H]1c1cccs1 12563766 YKQBHLVHEHKUJY-GOSISDBHSA-N 372.540 4.471 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCSc1ccc(Cl)cc1 12617740 TYIFESDQRILXKE-OKILXGFUSA-N 369.914 4.155 0 40 FIAB CC(C)n1ncc2cc(NC(=O)COc3ccccc3C(C)(C)C)cnc21 12913129 YRMNUXHWIODFQW-UHFFFAOYSA-N 366.465 4.327 0 40 FIAB COc1ccc(OCCSCCC(=O)Nc2ccc3c(c2)CCC3)cc1 12981927 YNRXEUBMKSLNOS-UHFFFAOYSA-N 371.502 4.325 0 40 FIAB COc1ccc(/C=C/C(=O)OCc2ccccc2OC(F)F)cc1OC 13021530 JVEBTHCPNOBLJI-CSKARUKUSA-N 364.344 4.062 0 40 FIAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1cc(Cl)cc(Cl)c1 13085239 USAUODGIXVNSNN-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB CCc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)cc1 13610730 NRQBPGUZQCZHGL-UHFFFAOYSA-N 367.478 4.417 0 40 FIAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)cc1OC 13989884 BLGWYGOKLWEQOE-UHFFFAOYSA-N 366.436 4.440 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)CSc1ccc(NC(C)=O)cc1 14135481 BUGLZSIWRSOWGE-KRWDZBQOSA-N 374.531 4.335 0 40 FIAB CCn1ncc2c(C(=O)NC3CCCCC3)cc(-c3cccs3)nc21 14204992 JOWALVHUXMFRDV-UHFFFAOYSA-N 354.479 4.242 0 40 FIAB Cc1ccccc1NC(=O)Cn1cc(C=O)c2cc(Br)ccc21 17076036 IOOLDPJBEUMDLY-UHFFFAOYSA-N 371.234 4.163 0 40 FIAB CCSCCC[C@H](CC[C@H](CCCSCC)C(=O)O)C(=O)O 17312912 XKHASJBJOUTTIS-OKILXGFUSA-N 350.546 4.235 0 40 FIAB CC(C)c1ccccc1-n1ccnc1SCc1ccc(C(N)=O)cc1 21479793 GTPKVAGOKOSEMX-UHFFFAOYSA-N 351.475 4.387 0 40 FIAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1Cc2ccccc2O1 27276314 FPDKUYKKUVHRSZ-NRFANRHFSA-N 363.388 4.347 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCc1ccc(C(C)C)cc1 30866547 YMKXTQSLCAGZRN-NRFANRHFSA-N 355.478 4.335 0 40 FIAB Cc1nc(NC(=O)C[C@@H]2C=CCC2)sc1Cc1ccc2c(c1)OCO2 32738610 LEWBVQQBUOKFCA-CYBMUJFWSA-N 356.447 4.066 0 40 FIAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4ccccc4)cc3c2C1 32945369 RVROJRNAWTXQJQ-AWEZNQCLSA-N 362.429 4.088 0 40 FIAB O=C(Cc1csc(COc2ccccc2)n1)NCCC1=CCCCC1 33326134 WGRPQFKOXHWJDZ-UHFFFAOYSA-N 356.491 4.271 0 40 FIAB CCc1cccc2sc(N3CCN(C(=O)c4cc(C)oc4C)CC3)nc12 36709512 ZPXGZZYSXKFPQT-UHFFFAOYSA-N 369.490 4.031 0 40 FIAB Cc1nc2ccc(NC(=O)NC[C@@H](c3cccs3)N(C)C)cc2s1 40103265 RPZWNGPZAMTDSE-AWEZNQCLSA-N 360.508 4.091 0 40 FIAB O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)Nc1cccc(Cl)c1 40105478 QNUGTLWMWPWGKE-SFHVURJKSA-N 360.841 4.220 0 40 FIAB CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 42340566 NPVOLPQSGGFECB-DYVFJYSZSA-N 350.915 4.393 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(COc3ccc(C)cc3)o2)c1 43084542 JGHXGIXZWOVVCR-UHFFFAOYSA-N 367.401 4.437 0 40 FIAB CC(C)c1nc(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 46747797 QRYWZLXUQXKDMM-CQSZACIVSA-N 369.490 4.356 0 40 FIAB CC(C)(C)c1ccc(NC(=O)Cc2csc(-c3ncccn3)n2)cc1 47195481 SLDFXBAHSNPMFB-UHFFFAOYSA-N 352.463 4.079 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(CN2CCCC2=O)c1 58010136 GRXWQCICUIDWRR-UHFFFAOYSA-N 371.868 4.126 0 40 FIAB O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCc2cc(F)c(F)cc21 58332126 RLMPURRGPYVGMW-GOSISDBHSA-N 370.443 4.156 0 40 FIAB Cc1ccccc1NCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 58394090 LQMXMWQOAICASC-UHFFFAOYSA-N 352.434 4.477 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1)[S@](=O)Cc1csc(-c2ccccc2)n1 71801171 XFBHGVJKQAIWNP-SXBQZSJRSA-N 370.499 4.086 0 40 FIAB O=S(=O)(Oc1ccc(Cl)cc1Cc1ccccc1)c1cccnc1 72002406 JAYWLVNOMMARCW-UHFFFAOYSA-N 359.834 4.094 0 40 FIAB COc1cccc(C2(C(=O)NCCc3nc(C4CC4)cs3)CCCC2)c1 72310488 WTESYBMWIMWJJN-UHFFFAOYSA-N 370.518 4.200 0 40 FIAB CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 72324903 MWJWKHJHXONNTA-FQEVSTJZSA-N 368.521 4.398 0 40 FIAB biogenic COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)cc1 72349090 IUTZGRMVVWSBKP-IBGZPJMESA-N 373.456 4.172 0 40 FIAB Fc1ccc(CN2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 72377408 RDAYYTAVUGXJGW-QGZVFWFLSA-N 363.440 4.134 0 40 FIAB COC(=O)c1cc(C(=O)OC)c2nc(-c3ccc(Cl)cc3)sc2c1 73635647 PEKFGZMKYDQLRQ-UHFFFAOYSA-N 361.806 4.190 0 40 FIAB O=C(NC[C@@](O)(c1ccco1)C1CC1)C1(c2ccc(Cl)cc2)CCCC1 75154941 AYVDTNLULOXLFO-NRFANRHFSA-N 373.880 4.159 0 40 FIAB CC(C)N(C)C(=O)C1CCN(Cc2nc3cc(Cl)ccc3s2)CC1 79103771 QMKHUVMUQPZVBC-UHFFFAOYSA-N 365.930 4.029 0 40 FIAB COc1ccc(-c2n[nH]cc2C(=O)N2CC=C(c3cccs3)CC2)cc1 80360677 BVCRJIIHTFNCPJ-UHFFFAOYSA-N 365.458 4.076 0 40 FIAB O=c1c(Cl)c(NCc2cc3ccccc3o2)cnn1Cc1ccccc1 84544514 FOUVZYRKJLYEBU-UHFFFAOYSA-N 365.820 4.303 0 40 FIAB Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n1 89568354 JOATZKBMLYPFAS-CABCVRRESA-N 353.372 4.406 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1I)c1ccccc1 95470992 YYATYKUDSRQSLX-LLVKDONJSA-N 351.187 4.033 0 40 FIAB O=C(Nc1ccccc1)N1CCC[C@]2(CCCN2Cc2ccccc2F)C1 96214636 OMPCOLVLHXTPRT-QFIPXVFZSA-N 367.468 4.488 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)c1C 100423685 GIVKAJNHLCKCON-ROUUACIJSA-N 369.534 4.378 0 40 FIAB CC[C@@H](/N=c1/cc(-c2ccc(OC)cc2)oc2ccc(C)cc12)C(=O)O 102443407 ONIINDPDHIFBGG-RTAFMGCNSA-N 351.402 4.181 0 40 FIAB COc1ccc(-c2nn(Cc3ccccc3)c(N)c2C)c(Br)c1 199750282 HNTKLKZLNJRGSO-UHFFFAOYSA-N 372.266 4.260 0 40 FIAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 218957081 FTUBEGRHAVMDRS-LJQANCHMSA-N 369.461 4.055 0 40 FIAB CN(CCNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 218978566 XWGBCFMNHJRMFT-UHFFFAOYSA-N 360.457 4.132 0 40 FIAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222849535 QKUYPWWXHLOSAI-OAHLLOKOSA-N 361.869 4.173 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1C 223090049 JGQWNYDUTNUSME-OALUTQOASA-N 354.523 4.034 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC(C)(C)C 223494127 RMBKAHPNAHTUAE-HNNXBMFYSA-N 373.324 4.425 0 40 FIAB Cc1cccc(N2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)c1C 223859261 CUKUVSHJAXORRT-UHFFFAOYSA-N 362.517 4.464 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1Cl 224164003 JBIDYXWHOWOZPO-INIZCTEOSA-N 361.869 4.228 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)c(Cl)c1Cl 224610804 DBFIQTMBHAMQPC-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CN(CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 224992391 USHDTJZQFYEPRY-UHFFFAOYSA-N 360.885 4.140 0 40 FIAB CCOc1cccc(CNC(=S)Nc2cccc(Br)c2)c1 225438449 DSIUBFATDHTHFD-UHFFFAOYSA-N 365.296 4.334 0 40 FIAB CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C(=O)OCC 225792865 HEYDHZKLVKDBBV-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)NCc3cccc4ccccc34)n2)cc1 225813189 JKOVDUOKIRISMC-UHFFFAOYSA-N 371.440 4.447 0 40 FIAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2cccc3ccccc23)no1 225829246 JGQOQFCMUJXIRW-UHFFFAOYSA-N 371.440 4.481 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)s1 225874598 AYVCAHZNSYEIHE-ZDUSSCGKSA-N 365.524 4.453 0 40 FIAB CC[C@H](C)OC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 245333798 ATVQCPSTHQBYQA-LXPIXPORSA-N 352.430 4.226 0 40 FIAB Cc1ccsc1CN1CC2(C[C@H](CCOCc3cccnc3)CCO2)C1 253599512 QTABPLVDMGRWQJ-GOSISDBHSA-N 372.534 4.039 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408613038 WPSMVJPQHIKWHI-GOSISDBHSA-N 354.881 4.003 0 40 FIAB O=C(c1nnc(O)c2ccccc12)N1Cc2ccccc2-c2ccccc21 585145899 IDGYEFCQVXVRQY-UHFFFAOYSA-N 353.381 4.163 0 40 FIAB O=C(c1nn(-c2ccc(Cl)cc2F)c2c1CCC2)N1CCC[C@H]1C1CC1 648767912 HRIQCJMUMKBFDM-INIZCTEOSA-N 373.859 4.168 0 40 FIAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1Cl 712206 ICUHQGMRENDJCB-CQSZACIVSA-N 367.257 4.435 0 40 FIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(OC)c1 953661 HRPWEFBTHZBQBE-UHFFFAOYSA-N 352.390 4.172 0 40 FIAB CCOC(=O)Oc1cc2c(C(=O)OCC)c(C)oc2cc1Br 1448023 MGWVWPMQDZSGBV-UHFFFAOYSA-N 371.183 4.216 0 40 FIAB biogenic Cc1c(Cl)cnn1[C@H](C)c1nnc(-c2ccccc2OC(F)F)o1 2788142 KTJXBNPYLAIWQI-SECBINFHSA-N 354.744 4.106 0 40 FIAB NC1=C(c2nc3ccccc3s2)CC(=O)N1c1ccc(F)c(Cl)c1 3285388 CQEXQGRCGBAEGL-UHFFFAOYSA-N 359.813 4.153 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3435261 IDYAFZVRZKMSGN-UHFFFAOYSA-N 370.261 4.078 0 40 FIAB CCCN(CCC)C(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 4990868 LEGCGOSBWNEQOI-LVZFUZTISA-N 350.462 4.106 0 40 FIAB CC(=O)N[C@H]1CCCC[C@H]1c1ccc([C@H]2CCCC[C@H]2NC(C)=O)cc1 4995124 HOAWBXFLPWAFLR-COPRSSIGSA-N 356.510 4.011 0 40 FIAB Cc1nc(N2CCN(c3ccccc3F)CC2)c2oc3ccccc3c2n1 5180476 VZYOKZCSKSMUMN-UHFFFAOYSA-N 362.408 4.150 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(C)c1 5477804 RVTRUAHHTTUXCG-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB O=c1c(Oc2ccc(F)cc2)c(C(F)(F)F)oc2c3c(ccc12)OCO3 6221813 KYCIXVVAZDWWKU-UHFFFAOYSA-N 368.238 4.472 0 40 FIAB Fc1ccc(OCCCSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 6589655 XEVUNKXNCKZWLK-UHFFFAOYSA-N 374.393 4.166 0 40 FIAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 6602581 ARKWMGNJNKUKEP-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 7078137 JDZFBYBVJUAXQJ-HNEYUBDGSA-N 369.442 4.218 0 40 FIAB Cc1cccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(-n4ccnc4)cc3)nc12 7136919 RCJWOCMGJADUTL-BOPFTXTBSA-N 362.820 4.154 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1Br 7755841 BLUYIVLMQOXVQC-UHFFFAOYSA-N 358.157 4.398 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2Br)c1 7792195 LIQJUHPYPFLVJG-UHFFFAOYSA-N 368.614 4.141 0 40 FIAB O=C(NCCc1ccc(Cl)cc1Cl)c1cc(=O)c2ccccc2o1 7986708 AAALSDVJONOOJV-UHFFFAOYSA-N 362.212 4.072 0 40 FIAB COc1ccccc1OCCNC(=O)CCc1ccc(-c2ccccc2)o1 7990536 RYJIRYXDMHTFAC-UHFFFAOYSA-N 365.429 4.083 0 40 FIAB CCOC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2CC)cc1 8090557 BSKQTKJBENUYLM-UHFFFAOYSA-N 367.474 4.434 0 40 FIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1C 9141431 CWXDVSNAUMIUCK-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCCN2CCCCCC2)cc(C)c1Cl 10111315 VRPRECDNGSCJHY-KRWDZBQOSA-N 366.933 4.106 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10260361 HWJROBFYYKTODL-GFCCVEGCSA-N 356.376 4.253 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1 11856547 BXKDKPIAGMOGDP-UHFFFAOYSA-N 355.777 4.125 0 40 FIAB COc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3)cc2)nc(C)n1 12225763 NFIWZHWNQULOQF-UHFFFAOYSA-N 363.421 4.490 0 40 FIAB Cc1nc(-c2nc(N3CCSCC3)ncc2-c2ccsc2)sc1C 12751373 CERNEMGIEXKYGG-UHFFFAOYSA-N 374.560 4.499 0 40 FIAB Cc1cc(C(=O)Nc2nnc(SCc3ccccc3F)s2)c(C)o1 12774057 QUUKSGDSLOQSJM-UHFFFAOYSA-N 363.439 4.432 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OC[C@H]1CCCO1 12792757 NQSLWQNSCLHPNS-CQSZACIVSA-N 361.825 4.159 0 40 FIAB O=C(CSc1nnc(NC2CC2)s1)c1cc2cc(Cl)ccc2o1 12796395 FZLLWJWMXAIFQF-UHFFFAOYSA-N 365.867 4.487 0 40 FIAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(-c2ccco2)nc2ccccc12 12971017 WTRCGQJVIZZTCR-UHFFFAOYSA-N 354.369 4.045 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2C1 14779936 AYXLGPUMLFUFBI-CYBMUJFWSA-N 367.474 4.494 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)c1cc2cc(Br)ccc2o1 15215853 YTNMXCHXDGERFZ-UHFFFAOYSA-N 359.175 4.198 0 40 FIAB O=C([C@@H]1CC=CCC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 15318319 ILQILDNZUSKBQJ-CQSZACIVSA-N 357.841 4.237 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N[C@H](C)c3ccccc3Cl)cc2NC1=O 16017362 LNNMOTFUKZTEJW-MNOVXSKESA-N 360.866 4.264 0 40 FIAB CN1CCCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 19364955 RKBSVZBELVJAHP-IBGZPJMESA-N 359.311 4.176 0 40 FIAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1OC 19561239 AOSPIRDVFZZSIV-HNNXBMFYSA-N 360.504 4.295 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)N[C@H](C)c1ccc(SC)cc1 20030284 HUMACCJRIGOJHM-XTZCOPOCSA-N 357.475 4.316 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1cccs1)N(C)C 23105511 AEBGUGDERPLZSQ-KRWDZBQOSA-N 368.502 4.333 0 40 FIAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nc2ccccc2s1 23391713 VDZXSSPYKNJUJC-NSHDSACASA-N 361.417 4.477 0 40 FIAB COc1c(C(=O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 27091731 UVHQGKWLSWQZGK-UHFFFAOYSA-N 370.401 4.401 0 40 FIAB biogenic,in-vitro O=C(NC1CCCC1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971915 GQVALZIXIFZPQJ-UHFFFAOYSA-N 361.445 4.259 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 30210336 VYPZHMMEJRRBLE-UHFFFAOYSA-N 373.452 4.341 0 40 FIAB CC(C)c1ccc(OCC(=O)N2CCC(CCN3CCCCC3)CC2)cc1 32593456 DVHCUIOUSQIYHR-UHFFFAOYSA-N 372.553 4.303 0 40 FIAB Cc1nc(-c2ccc(CC(=O)Nc3ccc4c(c3)OCO4)cc2)cs1 32815529 DFNJJHLKAIYZKU-UHFFFAOYSA-N 352.415 4.028 0 40 FIAB CCC(CC)c1nnc(NC(=O)c2cc(-c3cccc(F)c3)no2)s1 32833313 FYJUPXMOOKTZBF-UHFFFAOYSA-N 360.414 4.488 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)NC(=O)C(c1ccccc1)c1ccccc1 34951533 XRBUHQSHVMXADY-GOSISDBHSA-N 372.468 4.270 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cccc(F)c2)cc1 35758630 MALISWSUSKRTEI-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cc(F)ccc2F)cc1 36357094 AGIGUPBERKWKED-OAHLLOKOSA-N 355.344 4.283 0 40 FIAB Fc1ccccc1-c1n[nH]c(SCc2noc(-c3cccs3)n2)n1 40012654 LDRHALICEUGTSD-UHFFFAOYSA-N 359.411 4.015 0 40 FIAB Cc1cccc(CSC[C@H](O)[C@@H](O)CSCc2cccc(C)c2)c1 40545399 NMXNDLQCTBAEDB-PMACEKPBSA-N 362.560 4.192 0 40 FIAB CCCSc1nnc(NC(=O)COc2ccccc2C(C)C)s1 40988832 UUVCJZXDBFEREQ-UHFFFAOYSA-N 351.497 4.181 0 40 FIAB O=C(Nc1cccc2c1CCCC2)N(Cc1cccnc1)C[C@H]1CCCO1 48277851 XBMLTRNXSOCLPV-LJQANCHMSA-N 365.477 4.174 0 40 FIAB O=C1CCc2cc(C(=O)NC3(c4ccc(Cl)cc4)CCC3)ccc2N1 56379016 JMWMRGITJIRGOC-UHFFFAOYSA-N 354.837 4.034 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57412549 GFDAUXOWZMBLGH-UHFFFAOYSA-N 369.808 4.159 0 40 FIAB CC[C@H](C)c1ccccc1OCC(=O)NCc1nc(-c2ccsc2)no1 58087594 SROCMSYPKVNDLD-ZDUSSCGKSA-N 371.462 4.007 0 40 FIAB O=C(c1c[nH]c2ccccc2c1=O)N(Cc1c(F)cccc1Cl)C1CC1 58174435 QGOLAPOOLUTSJN-UHFFFAOYSA-N 370.811 4.125 0 40 FIAB Cc1ccc2cccc(NC(=S)NC(=O)c3cc4ccccc4o3)c2n1 59294390 YFIJXCTVVMXKIV-UHFFFAOYSA-N 361.426 4.416 0 40 FIAB O=C(Cn1ccc2c(Cl)cccc21)Nc1nc(-c2ccncc2)cs1 72401087 NUONBNZIVIRMEJ-UHFFFAOYSA-N 368.849 4.452 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CCCCC2 72404751 RJHXCBGOFHDNIW-FQEVSTJZSA-N 368.521 4.207 0 40 FIAB CCc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1 78457820 WDGXHJLUYMXJPE-ZDUSSCGKSA-N 362.267 4.268 0 40 FIAB Cc1ccccc1OCc1nn2c(-c3cc4ccccc4o3)nnc2s1 96193875 ATFZPRTYYROYCQ-UHFFFAOYSA-N 362.414 4.486 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3cccc(F)c3)no2)CC1 98212715 QDIXXKKQTRAGDL-UHFFFAOYSA-N 361.417 4.065 0 40 FIAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](C)c1ccccc1 103587216 GOJYTDMELMKTJF-UDHYTOICSA-N 358.526 4.221 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219546271 SUPBQKJRYCDBIQ-LPHOPBHVSA-N 353.462 4.489 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)cc1OC 224149066 FGIOHSSXBUWXPZ-FQEVSTJZSA-N 369.461 4.379 0 40 FIAB COc1cc(CNC(=O)CCc2ccc(C)c(C)c2)ccc1OC(C)C 224176677 AOPWOHRMBINSRK-UHFFFAOYSA-N 355.478 4.348 0 40 FIAB COc1cccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)c1 225568098 JYQYKMDPKXPFCS-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB COCCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 257245850 IRHVBODWSZRWMZ-SFHVURJKSA-N 367.493 4.185 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257284356 PCJHGSUTVUZURG-IBGZPJMESA-N 365.408 4.085 0 40 FIAB COc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257305563 SQOICUGUQIAJOU-YCSCGVHMSA-N 359.510 4.492 0 40 FIAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(CC(C)C)CC1 257333062 XZYKWTRGLLMMGC-UHFFFAOYSA-N 370.562 4.442 0 40 FIAB Cc1cccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 408628542 URZKHMXCALNATK-UHFFFAOYSA-N 372.424 4.498 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C)c3)C(=O)[C@@H]2C1 408689091 YEZFKJKHGSBXGJ-PKOBYXMFSA-N 374.440 4.093 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O 408706935 FJWIQWKZCGCJIA-AOCRQIFASA-N 356.510 4.069 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21)c1ccccc1 409372286 PZLGKOHUCVGTQQ-UGESXGAOSA-N 355.437 4.390 0 40 FIAB C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC12CCC2 548650441 FUHAPOFINDUJPJ-OAHLLOKOSA-N 356.445 4.115 0 40 FIAB Cc1n[nH]cc1C1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 585081401 YSFKOPPXYHKDQE-UHFFFAOYSA-N 356.857 4.406 0 40 FIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)CCc1ccc(C)o1 684663515 WFKPPJHJQGIIHO-QAPCUYQASA-N 358.486 4.062 0 40 FIAB O=C(C[C@@H](c1ccccc1)c1ncc[nH]1)Nc1cnc2c(F)cccc2c1 1557409760 VHDBUMWTJKIXED-KRWDZBQOSA-N 360.392 4.258 0 40 FIAB CCc1ccc(-c2csc(NS(=O)(=O)Cc3ccccc3)n2)cc1 1776002226 TUQMBVDKDKJRDZ-UHFFFAOYSA-N 358.488 4.314 0 40 FIAB Cc1ccc(-n2nc(C)c(/C=C3\N=C(c4ccccc4)OC3=O)c2C)cc1C 694240 IHYUBJBKXGVMKW-BKUYFWCQSA-N 371.440 4.450 0 40 FIAB CCc1nnc(NC(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)s1 902939 WYYFZNHLXGXHOY-UHFFFAOYSA-N 372.519 4.305 0 40 FIAB O=CNc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405095 YKMIAJSQYBXHBX-UHFFFAOYSA-N 364.405 4.370 0 40 FIAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2394830 XGEWZAXIPCXLMG-KOSHJBKYSA-N 367.813 4.426 0 40 FIAB CCn1ncc(Br)c1C(=O)NC1CCC(C(C)(C)C)CC1 2782208 KKENSSPJDFVFAW-UHFFFAOYSA-N 356.308 4.000 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 3349735 HMWXMGLOZAAUSM-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CC(C)n1cnnc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 3386523 QQDHOMJQQPYMAG-UHFFFAOYSA-N 352.463 4.257 0 40 FIAB O=C1/C(=C/Nc2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 3425563 LSVVRWJUSJMZMI-RCCKNPSSSA-N 354.409 4.322 0 40 FIAB Cc1ccccc1C(=O)/N=c1/sc2cc(Br)ccc2n1C 3899336 CLRLTRNWMJOROG-FBMGVBCBSA-N 361.264 4.052 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(C)on1 3908631 NAASTMVFDNAVHZ-UHFFFAOYSA-N 356.403 4.141 0 40 FIAB CCOC(=O)c1cnc2cc(F)c(F)cc2c1Nc1ccc(C(=O)O)cc1 4622732 SQXGQPQKNHDZGM-UHFFFAOYSA-N 372.327 4.132 0 40 FIAB CCSc1nc(NC(N)=O)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 4834841 DJWWYIPGHUNYHW-SECBINFHSA-N 364.540 4.445 0 40 FIAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c(C)s1 4883571 RNSBFHQHZDGNBC-UHFFFAOYSA-N 373.474 4.127 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2ncc(-c3ccccc3)n2C)cc1 5175116 GBLVZOPTPVGQMF-CQSZACIVSA-N 352.459 4.459 0 40 FIAB COCCCn1c(C)cc(C(=O)CSc2nc3ccccc3n2C)c1C 5266990 OKNXFBOEKSMWAG-UHFFFAOYSA-N 371.506 4.003 0 40 FIAB COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccnc1)=N2 5485299 BMBNCSPPJVIOEB-UHFFFAOYSA-N 362.820 4.178 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 6747510 CZLJFYVCYRAJTI-UHFFFAOYSA-N 353.393 4.335 0 40 FIAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(F)cc3)sc2c1 6931568 ZELOVNGYHYJWRJ-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB CCCCOC(=O)c1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 7045376 NWEGULRUTZHSRY-UHFFFAOYSA-N 354.431 4.005 0 40 FIAB CN(CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccccc1 7115571 FYCQTBIDAFMKHJ-FQEVSTJZSA-N 354.450 4.229 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3n[nH]c4ccccc34)sc2C)cc1 7138018 IAEARBNOWZUKCR-UHFFFAOYSA-N 364.430 4.256 0 40 FIAB COc1ccc2oc(C(=O)OCC(=O)NC3CCCCCCC3)c(C)c2c1 7737203 LRUJVZOJBDJFFF-UHFFFAOYSA-N 373.449 4.136 0 40 FIAB O=C(CSc1nccn1-c1cccc(F)c1)N1CC[C@@H]2CCCC[C@@H]2C1 7738157 JLXLOHCSFKRAMK-JKSUJKDBSA-N 373.497 4.142 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)SCc2ccccc2)c1 8220284 AJTHGKHFDJYEPM-LBPRGKRZSA-N 363.866 4.387 0 40 FIAB O=c1c2oc3nc4c(cc3c2ncn1Cc1ccccc1Cl)CCCC4 8665012 BFQQLHHYEKTAAZ-UHFFFAOYSA-N 365.820 4.118 0 40 FIAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnnn2-c2ccccc2C)cc1C 8981046 CLNVJGNLQUUJMQ-MRXNPFEDSA-N 366.490 4.259 0 40 FIAB C[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccccc1 9454228 QLXDRNHNNFGSJW-LBPRGKRZSA-N 366.244 4.197 0 40 FIAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc(Cl)c1 10768374 TUNDUWYRJQXHPX-LBPRGKRZSA-N 357.841 4.128 0 40 FIAB CC(C)n1ncc2c(C(=O)N3CCc4sccc4C3)cc(C3CC3)nc21 10924325 CWQLCQNBHDWAOX-UHFFFAOYSA-N 366.490 4.150 0 40 FIAB Cc1ccn2cc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)nc2c1 10989489 OXQASUMNFWLOTE-UHFFFAOYSA-N 356.429 4.054 0 40 FIAB Cc1ccc(C(=O)CSc2nncn2CCc2cccs2)c(C)c1 11106422 BSVJJGUJRCOHKH-UHFFFAOYSA-N 357.504 4.174 0 40 FIAB CSc1ccc(CN(C)C(=O)c2cnc3c(cnn3C(C)C)c2)cc1 12770689 WGIVEIKKOMUMBN-UHFFFAOYSA-N 354.479 4.006 0 40 FIAB C[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccccc2Br)s1 13004177 WRKLXTVYYYBVTO-BXKDBHETSA-N 351.269 4.091 0 40 FIAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 13735291 DCBRPSVDEYRJBU-UHFFFAOYSA-N 361.829 4.012 0 40 FIAB CCOc1cc2cc(C(=O)c3cc(C)ccc3O)cnc2cc1OCC 14128755 OTDRWRAXPYRHOD-UHFFFAOYSA-N 351.402 4.277 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832049 QKJWRJHTJBBVQL-CQSZACIVSA-N 368.408 4.140 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 16597822 ZQFOISXJYBGLNP-ZDUSSCGKSA-N 362.351 4.005 0 40 FIAB Cc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c(C)n1C(C)C 16685203 MXVOFCIEMFCQQO-UHFFFAOYSA-N 356.466 4.284 0 40 FIAB Cc1cc2c(c(=O)o1)C(c1cccc(Cl)c1)c1c(cc(C)oc1=O)O2 16756453 HVQUWZOBNVCMDJ-UHFFFAOYSA-N 356.761 4.149 0 40 FIAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3cccc(F)c3)C2)on1 19120777 NMVLZIFDIZHQNH-AWEZNQCLSA-N 358.442 4.020 0 40 FIAB CCCc1ncc(CN[C@H]2[C@H](c3ccc(OC)cc3)[C@@H]3CCC[C@H]32)cn1 19525781 OAEHIPJFFLNJFH-UGESXGAOSA-N 351.494 4.110 0 40 FIAB CN1C(=O)CC[C@@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccccc1 20714737 CLHQIIBHGJTAOT-KNQAVFIVSA-N 358.441 4.388 0 40 FIAB COc1ccccc1-c1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)o1 24046112 CYAVHTSSUNJJQQ-JTQLQIEISA-N 360.439 4.279 0 40 FIAB O=C(Nc1cccc(COc2cccc(F)c2)c1)[C@H]1Cc2ccccc2O1 26009858 IBTLHEQBFMWXCA-OAQYLSRUSA-N 363.388 4.347 0 40 FIAB CC[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1cc(C)on1 28368016 WIFQBAIBQVTOBB-OAHLLOKOSA-N 371.437 4.244 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(F)c(F)c1 28686012 VLBMUTMANJAHKU-UHFFFAOYSA-N 358.369 4.276 0 40 FIAB CCN(CCO)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 28713545 RVPWMLKHSGIZQE-QGZVFWFLSA-N 352.261 4.232 0 40 FIAB Cc1cccc(CNC(=O)COc2ccc(Br)cc2Cl)c1 31057880 JEBQBDSJWGVAQN-UHFFFAOYSA-N 368.658 4.106 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3ccccc3Br)c2)n1 31801125 GQRWFVQXQOHEBZ-UHFFFAOYSA-N 368.234 4.467 0 40 FIAB CCn1cc(C(=O)Nc2cccc(C(C)=O)c2)c(=O)c2cc(Cl)ccc21 32607755 YMPSCTVERCUAKA-UHFFFAOYSA-N 368.820 4.130 0 40 FIAB COc1ccc(NC[C@H](O)CN2c3ccccc3[C@H]3CCCC[C@@H]32)cc1 37613822 XDAVWKLHIMQTGM-WEYGHZABSA-N 352.478 4.014 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)NCc3cccnc3OC(C)C)s2)o1 40142414 YEHMKEIISPUFOX-UHFFFAOYSA-N 371.462 4.132 0 40 FIAB O=C(CCSCc1nc(-c2cccs2)no1)N1CCc2ccccc21 45020317 QTSHWEKSVFQYCM-UHFFFAOYSA-N 371.487 4.011 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)n1 46674310 KGNWUWRLZVLBHA-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 48368352 FFZRDMSEVDPUTH-IRXDYDNUSA-N 372.896 4.058 0 40 FIAB O=C(Cc1cccc(Br)c1)Nc1ccccc1Br 50040988 ZIPLKXJRKUYQNX-UHFFFAOYSA-N 369.056 4.393 0 40 FIAB O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccc(Cl)cc12 51943359 SLCDCBJWYWCCDM-UHFFFAOYSA-N 356.853 4.436 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)CCSc1ccccc1 56347655 JOXAKHICKBJBKI-UHFFFAOYSA-N 356.491 4.290 0 40 FIAB COCCOc1c(Cl)cccc1NC(=O)Cc1c[nH]c2ccccc12 58201021 NSFRUUDBSRWRJJ-UHFFFAOYSA-N 358.825 4.028 0 40 FIAB COc1ccc(/C=C/C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 59471914 JOZQQTGLGZZRAB-VGOFMYFVSA-N 353.462 4.201 0 40 FIAB CCOc1nnc(CSc2nccn2-c2cccc(Cl)c2)s1 59933669 DIYRQUPMTDODLZ-UHFFFAOYSA-N 352.872 4.068 0 40 FIAB c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)cc1 67898642 GNIZGIJLCMKMOF-QFIPXVFZSA-N 370.456 4.198 0 40 FIAB biogenic,in-vitro Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)C[C@H]1CCCO1 70886135 FFBDRXBUKMYXMN-SNVBAGLBSA-N 356.900 4.084 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](O)(c2ccccc2)C(F)(F)F)C1 72208778 QLWMCCNWGANNFP-PBHICJAKSA-N 359.388 4.084 0 40 FIAB COc1ccc2c(c1)C[C@H](c1cccnc1)N[C@@H]2c1c[nH]nc1C(C)(C)C 72341400 GXUOMGUQCPVVCU-UXHICEINSA-N 362.477 4.087 0 40 FIAB CCn1cc(CN2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)cn1 72375507 MIKVCZHWKNBEJG-LJQANCHMSA-N 362.481 4.082 0 40 FIAB Fc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377424 AUVTYNFTVXXNMB-MRXNPFEDSA-N 355.442 4.153 0 40 FIAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCCN2C(=O)C(C)C)n1 72383675 GWILRAVSESNHLI-AWEZNQCLSA-N 359.499 4.003 0 40 FIAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1 72404201 DTGYPLOYLSFRBD-CQSZACIVSA-N 369.446 4.134 0 40 FIAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccc2cc[nH]c2c1 72404754 CRHKXTBODFWYJF-UHFFFAOYSA-N 350.809 4.474 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C[C@@H]2CCOC2)CC1 78439711 QSUZOOOZDNXMDO-SFHVURJKSA-N 373.541 4.119 0 40 FIAB CCOC(=O)Nc1ccc(-c2cc(C(F)(F)F)cnc2N(C)C)cc1 91695522 LXNMKEXHNIBHDO-UHFFFAOYSA-N 353.344 4.402 0 40 FIAB COc1ccc2ncc(C(=O)O)c(Nc3cc(Cl)ccc3OC)c2c1 95618443 CGZVVXYMTOODSE-UHFFFAOYSA-N 358.781 4.347 0 40 FIAB CCc1ccccc1[C@@H]1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1=S 101646675 QVZNOQCGOPFJCF-VQTJNVASSA-N 360.482 4.151 0 40 FIAB O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)N1CCC[C@H](O)C1 106948732 IUKSFWBBZUJNDL-ZDUSSCGKSA-N 371.437 4.091 0 40 FIAB CCOc1cccc(CNC(=O)CSCc2c(F)cccc2Cl)c1 113933084 GJKPXZBOEAOBFC-UHFFFAOYSA-N 367.873 4.427 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCCCc1cccc(OC(C)C)c1 219287981 ONDMJRYMYWZJRR-SFHVURJKSA-N 355.478 4.299 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 222820062 WVUHOGOBAONXTA-OAHLLOKOSA-N 367.445 4.066 0 40 FIAB S=C(Nc1ccc(N2CCc3ccccc3C2)nc1)NC1CCCCC1 224038867 WAQKFNQYWSCNSO-UHFFFAOYSA-N 366.534 4.263 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 224296273 GBMKGQSNRGKLMX-SFHVURJKSA-N 355.478 4.218 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)[nH]1 224449835 CJSSYFGPPFANSM-MSOLQXFVSA-N 352.438 4.034 0 40 FIAB COc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1F 225182076 ZUPHRHSYMYBQHW-UHFFFAOYSA-N 360.410 4.044 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225211804 ZAOJZAFVOUPDKC-JXFKEZNVSA-N 371.477 4.355 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)N[C@H](C)CC 225344895 CEFIYKZRXRJNFP-CHWSQXEVSA-N 373.324 4.425 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)CCc2ccccc2)c1 225513743 ZLLBPJACVLHOKW-HNNXBMFYSA-N 356.491 4.089 0 40 FIAB COc1ccccc1N=c1[nH]c(-c2cc(C)ccc2C)c(CC(=O)O)s1 408890605 WIYQJEGITKORTD-UHFFFAOYSA-N 368.458 4.228 0 40 FIAB Cc1nc2cc(NC(=O)Nc3ccc(N4CCOCC4)cc3)ccc2s1 408980356 VTCQZXYCPKXJDZ-UHFFFAOYSA-N 368.462 4.085 0 40 FIAB O=C(Nc1cnc2ccccc2c1)C1(Cc2cccc(F)c2)CCOCC1 562405537 NGESEKVALGSFQA-UHFFFAOYSA-N 364.420 4.352 0 40 FIAB Cc1cc(F)ccc1C1CCN(C(=O)NCc2cnc(C3CC3)o2)CC1 581650584 KNYDPPMWHISACE-UHFFFAOYSA-N 357.429 4.089 0 40 FIAB Cc1ccc(C(=O)c2ccsc2NC(=O)c2ccc3cncn3c2)cc1 582137066 UBPMHLXLNATQCO-UHFFFAOYSA-N 361.426 4.188 0 40 FIAB CC(C)(C)N1CCc2nc(NC(=O)c3ccsc3Cl)sc2C1 616418165 KMFRSNREXACVCN-UHFFFAOYSA-N 355.916 4.267 0 40 FIAB C[C@H](NC(=O)N1C[C@@H](C)[C@@](C)(CO)C1)c1ccc(-c2ccc(F)cc2)cc1 664568137 GRSOTBSBUZLILL-ZMPRRUGASA-N 370.468 4.214 0 40 FIAB Cc1cccc(O[C@@H](C)CN=c2nc(-c3ccncc3)[nH]c3ccccc23)c1 1612001095 OQOXALOEVMPYIP-KRWDZBQOSA-N 370.456 4.302 0 40 FIAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)cn1 1615159946 QLGVYRXNUNBVEX-XLIONFOSSA-N 367.468 4.049 0 40 FIAB Cc1cc(C)c(NS(=O)(=O)c2ccc(Br)s2)c(C)c1 665815 CRQKHUMUSBKFGC-UHFFFAOYSA-N 360.298 4.237 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 863302 NZJUEENFTDDZNS-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(Cl)cc1 1363171 CISYBIDQEZDFMJ-UHFFFAOYSA-N 369.852 4.009 0 40 FIAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1ccc(Cl)cc1 1394425 ONJIXMBIKXASQX-UHFFFAOYSA-N 363.166 4.266 0 40 FIAB COc1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)cc1OC 2432305 ZZCBDTXGFZQVSD-SECBINFHSA-N 361.250 4.040 0 40 FIAB CCCc1nc2sc3c(NCCCN(C)C)ncnc3c2c2c1CCC2 2432484 GLQJZTLWLYNIDX-UHFFFAOYSA-N 369.538 4.044 0 40 FIAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1 2577062 OZTHJRNFVNONSJ-UHFFFAOYSA-N 357.291 4.320 0 40 FIAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(Br)cc1C 2696954 LZDHMQZZHFWFNA-CYBMUJFWSA-N 360.317 4.019 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc4ccccc4c3)ccc12 3230964 NGGWNENWNVYXIM-UHFFFAOYSA-N 359.381 4.272 0 40 FIAB O=C(CCCSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 3656647 KHGQROBXIPLOHN-UHFFFAOYSA-N 354.431 4.089 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 4287129 GMIKUUILFGHWBP-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB COc1cc2nc(NC(=O)c3ccccc3SC)sc2cc1OC 4517472 OYOPKGZUYCNPBU-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB COc1ccc2cc(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)ccc2c1 4742996 UVWLNAUZFWHZGM-UHFFFAOYSA-N 363.369 4.032 0 40 FIAB Cc1ccc(S(=O)(=O)CC(=O)c2cccc(Cc3ccccc3)c2)cc1 4776246 VDTVAQAASLSJSV-UHFFFAOYSA-N 364.466 4.242 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)c1 4854363 VIBHAUASHBNRJJ-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136145 KXKCQXCAHKLTDO-UHFFFAOYSA-N 360.413 4.433 0 40 FIAB CCCCCOc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1OC 5152243 GFPXHSNOWCSVKU-UHFFFAOYSA-N 367.445 4.302 0 40 FIAB Clc1ccccc1-n1ncc2c1ncn1nc(C3CCCCC3)nc21 5269228 XTSZPYRNZPITIE-UHFFFAOYSA-N 352.829 4.164 0 40 FIAB Cc1ccccc1-n1nnnc1SCc1ccc(Br)cc1 5353714 YBGCIMORGXQHRJ-UHFFFAOYSA-N 361.268 4.026 0 40 FIAB COc1cc(C)cc(OC)c1OCc1nnc(-c2ccc(Cl)cc2)o1 5455172 XGBJOBKOSLHXJP-UHFFFAOYSA-N 360.797 4.295 0 40 FIAB O=c1c2ccccc2nc(/C=C/c2ccc(F)cc2)n1-c1ccc(O)cc1 5904155 XJIKSGATFCCJEM-VGOFMYFVSA-N 358.372 4.401 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Oc2ccc3ccc(OC)cc3c2)cc1 6540342 GQIKWGOKDHGAMD-UHFFFAOYSA-N 364.397 4.426 0 40 FIAB C=C1c2ccccc2N=C(SCC(=O)Nc2ccc(F)cc2F)N1C 7777596 IEQLNPCXVNOQOT-UHFFFAOYSA-N 359.401 4.240 0 40 FIAB CCOc1ccc(CN(CC)C(=O)Cc2c[nH]c3ccccc23)cc1OC 8074234 OCFSRHDGKVIDNW-UHFFFAOYSA-N 366.461 4.166 0 40 FIAB O=C1C(=O)N(Cc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 8429453 CSWIFCPZKPQNJV-UHFFFAOYSA-N 362.429 4.021 0 40 FIAB Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccccc1Cl 8475594 OUSMLNSZISRHMD-UHFFFAOYSA-N 366.848 4.420 0 40 FIAB CCc1sc2nc(Nc3ccc(C(C)=O)cc3)n3ncnc3c2c1C 8992209 NDYALTKGOBANTC-UHFFFAOYSA-N 351.435 4.156 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cc(F)cc(F)c1 9686537 CVRFSYHDRAIOKF-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)nc1 10056589 LYUBZMCPVAKZGM-IBGZPJMESA-N 358.397 4.097 0 40 FIAB O=C(NCCCN1CCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 10450017 SKQQCDCNOYVQBM-LVZFUZTISA-N 368.908 4.483 0 40 FIAB O[C@@]12CCCC[C@@H]1C1(CCCCC1)NC(=S)N2Cc1ccc(F)cc1 12323505 NCYQTZQZSFZWFX-XLIONFOSSA-N 362.514 4.098 0 40 FIAB CCc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12749565 UYLOWPUUJRQGQI-DAMWEWLOSA-N 362.473 4.140 0 40 FIAB O=C(NC1CCCCCC1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12815736 JTUBIYGMOXSXSA-JNCPLXCYSA-N 372.553 4.033 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)O)c1 13094940 VHGBDFKTAUKZCW-VIFPVBQESA-N 354.189 4.098 0 40 FIAB CC(=O)c1ccc(NC(=S)NCc2ccccc2C(F)(F)F)cc1 13577409 OLTDCRNYGIZIGM-UHFFFAOYSA-N 352.381 4.395 0 40 FIAB S=C(Nc1ccccc1Cl)N1CCCC[C@H]1CCN1CCCC1 13692825 PAMCBECJVPIRPN-HNNXBMFYSA-N 351.947 4.377 0 40 FIAB COc1ccc(-n2ncc3c2C[C@H](c2cccc(Cl)c2)CC3=O)cc1 14164187 SOGIPLFUVNMNMF-AWEZNQCLSA-N 352.821 4.447 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 14170341 GFJXCPKELIXSNR-UHFFFAOYSA-N 366.417 4.329 0 40 FIAB CCCc1nnc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)s1 14244705 NXAMFTQKNNYBCT-UHFFFAOYSA-N 361.398 4.054 0 40 FIAB O=C1[C@@H](c2ccsc2)N(c2ccccc2)C(=O)CN1c1ccccc1F 15412249 ZYVKHHSEPNUNHC-LJQANCHMSA-N 366.417 4.008 0 40 FIAB O=c1cc(O)n(C2CCCC2)c(SCc2c(F)cccc2Cl)n1 15981498 MRBJYMVPMHLISV-UHFFFAOYSA-N 354.834 4.149 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)Nc3cc(C)ccc3OC)[nH]c2c1 16765248 RGZMTWKOWTZFGA-GFCCVEGCSA-N 371.462 4.008 0 40 FIAB Cc1cc(C)cc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)c1 16841245 WBGQNLGCUKOKAC-UHFFFAOYSA-N 355.825 4.203 0 40 FIAB Cc1nc2cc(C(=O)NCCc3cccs3)ccc2n1-c1ccccc1 17909357 YIYNSFZYOVIBOZ-UHFFFAOYSA-N 361.470 4.368 0 40 FIAB CC1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)CC1 21595420 XZPIUJMDPCSKDW-UHFFFAOYSA-N 352.463 4.180 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCOc3ccccc32)cc1 25312464 PDLOKCRQXDODCY-UHFFFAOYSA-N 364.470 4.395 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 27462174 DDADSVCBVRLVQK-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(O)cc2)cc1 32902223 QVOPUQNGBNQKQQ-UHFFFAOYSA-N 356.425 4.399 0 40 FIAB COc1ccc(/C=C2/SC(=N)NC2=O)cc1OCc1ccc(Cl)cc1 34201594 ZSEMSLCACOUIRO-CXUHLZMHSA-N 374.849 4.066 0 40 FIAB COc1ccc(-c2nnc(N(C)C(=O)c3ccccc3Cl)s2)cc1 34791630 HCZIOXWTSLQYRY-UHFFFAOYSA-N 359.838 4.144 0 40 FIAB Cc1cc(C)nc(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)n1 36394510 HXKQJWXREGGFEE-QGZVFWFLSA-N 361.486 4.228 0 40 FIAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NC(C)(C)C 36396305 KNFQSDRQKYBZCQ-AWEZNQCLSA-N 354.454 4.046 0 40 FIAB Cc1ccnc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1 36613988 DXYMVMDOJKLSKC-UHFFFAOYSA-N 362.364 4.293 0 40 FIAB O=C(NCc1ccncc1)c1ccccc1-c1ncc(-c2ccccc2)o1 40009454 LJGWZCCEOKCOSM-UHFFFAOYSA-N 355.397 4.334 0 40 FIAB CCCc1cc(=O)n2c3ccccc3n(Cc3cccc(Cl)c3)c2n1 40484721 DVRSOTRMFCLROG-UHFFFAOYSA-N 351.837 4.303 0 40 FIAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccccc2)CC(O)=N3)c1 44902779 CPVPEHGNVUSZMH-INIZCTEOSA-N 362.385 4.308 0 40 FIAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(F)cccc1F 56301226 DGCRWUMPDCVTEW-SNVBAGLBSA-N 359.294 4.181 0 40 FIAB c1ccc(OCCN2CCC[C@@]3(C2)Nc2ccccc2-n2cccc23)cc1 57731714 QLKZBQJZVXKNTD-QHCPKHFHSA-N 359.473 4.273 0 40 FIAB COc1c(C)cnc(CN(C)c2nc(C)nc3sc4c(c23)CCC4)c1C 58544932 USNIWAXHGOAIPO-UHFFFAOYSA-N 368.506 4.145 0 40 FIAB Brc1ccccc1CNC[C@@H]1CCCN(Cc2ccccc2)C1 62426593 VFXUYZIIHFGPIV-SFHVURJKSA-N 373.338 4.451 0 40 FIAB Cc1ccc(C)c(OC2CCN(C(=O)CNc3ccccc3Cl)CC2)c1 84146233 VDTHHKVISFVWBD-UHFFFAOYSA-N 372.896 4.439 0 40 FIAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc2c(c1)CCO2 92645932 JEIHKCSZZDLKQS-UHFFFAOYSA-N 353.809 4.021 0 40 FIAB Cc1cccc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)c1C 95116411 JGGGLVLLQHYQHT-UHFFFAOYSA-N 368.462 4.420 0 40 FIAB Cc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1C1CCCCC1 95423315 MYISKFYYPGHLQT-XMSQKQJNSA-N 358.526 4.377 0 40 FIAB CCOc1ccccc1[C@H](CC(C)C)NC1CCN(CC(F)F)CC1 95423545 KWOKPNVGESXVNF-SFHVURJKSA-N 354.485 4.492 0 40 FIAB Cc1nc2ccccc2nc1C[S@@](=O)Cc1csc(-c2ccco2)n1 95948663 ZXYWZJWBPYJQIM-RUZDIDTESA-N 369.471 4.104 0 40 FIAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCC[C@@H]1c1ccc[nH]1 95953863 ZINQAHUEWZFXIK-MRXNPFEDSA-N 352.356 4.071 0 40 FIAB CCCCc1c(C)[nH]c2nc(SCc3ccc(Cl)cc3)nn2c1=O 100133786 YAZVHKWATUWJJM-UHFFFAOYSA-N 362.886 4.014 0 40 FIAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cc(C)ccc1C 102202462 DZLKIEATNKRBEH-QRWLVFNGSA-N 354.475 4.247 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102963206 SAGBPYVMMVLTFX-HKUMRIAESA-N 352.272 4.012 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccccc3)o2)cc1 107152629 HXIGTTGLMJLDKE-OAHLLOKOSA-N 350.418 4.160 0 40 FIAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1Oc1ccncc1 115386181 VNDJCIPZNDJASR-LJQANCHMSA-N 362.433 4.273 0 40 FIAB Cc1c(C(N)=O)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Cl)cc1 216911006 MAEQBJWNUKEDEW-UHFFFAOYSA-N 370.836 4.200 0 40 FIAB COc1cccc(C(=O)N2CCS[C@@H](c3ccccc3C)CC2)c1OC 219274550 WFXFGRATYYSBLU-LJQANCHMSA-N 371.502 4.333 0 40 FIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(CC)c3C)N21 222692657 GHDUIXSWOLRFRV-ZYSHUDEJSA-N 354.523 4.499 0 40 FIAB CC(C)c1nc(Cc2ccc(NC(=O)c3ccc(F)cc3F)cc2)no1 222966543 QOZIGYZWOWEFBU-UHFFFAOYSA-N 357.360 4.314 0 40 FIAB COc1ccc(CC(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223735092 WMGUDPHHPVELES-UHFFFAOYSA-N 355.478 4.039 0 40 FIAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 223852189 CAKPDEIPFHGYDI-NSHDSACASA-N 368.326 4.497 0 40 FIAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCSC1CCCC1 223877139 HJDBPVSMULRTBC-UHFFFAOYSA-N 368.351 4.089 0 40 FIAB COCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225283172 XYOCSFXEKWREOP-UHFFFAOYSA-N 370.518 4.148 0 40 FIAB Cc1cc(-c2nc(C)c[nH]2)nc(C2CCN(Cc3sccc3C)CC2)n1 257205565 AZQWVSOTSMTOBH-UHFFFAOYSA-N 367.522 4.233 0 40 FIAB COc1cccc(Oc2ccc(NC(=O)c3cc(C)n(C)c3C)cn2)c1 408678361 XOVVZBHVWGHAOO-UHFFFAOYSA-N 351.406 4.090 0 40 FIAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O 408708588 QUZREBSGMULMNX-MRXNPFEDSA-N 368.864 4.129 0 40 FIAB CCCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2s1 408751147 WZOPOXGJKVFWLO-BETUJISGSA-N 360.504 4.478 0 40 FIAB CCOc1ccccc1/C=C1\S[C](Nc2cc(C)ccc2OC)NC1=O 408803825 AVMWYQYZHCYVRD-UHFFFAOYSA-N 369.466 4.165 0 40 FIAB Cn1c2c(s/c1=N\C(=O)c1ccccc1Cl)CCc1ccccc1-2 409198781 KYJZBSWIPNPSRW-VZCXRCSSSA-N 354.862 4.247 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3cscc3C)cs2)cc1OC 533040949 BDKOORWSECUKLY-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB CSc1c(CC(=O)NCCc2ccccc2)n(C)c2ccc(C)cc12 720404 HRSQKKWZCAQJBY-UHFFFAOYSA-N 352.503 4.110 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1 846918 PWXIXIWETWMNNP-HNNXBMFYSA-N 351.402 4.124 0 40 FIAB COc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C2CCCCC2)c1 1370192 MVAGVQDHJKYVKA-WOJBJXKFSA-N 356.510 4.143 0 40 FIAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 1377743 ZNIGMOYLOKPQJM-ROUUACIJSA-N 373.497 4.291 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C(N)=O)C1 1927527 RRUOJKDVQCHQCT-LBPRGKRZSA-N 364.470 4.377 0 40 FIAB O=C(Cc1ccccc1Cl)c1ccc(I)cc1 2392994 GGVAYPSSRZMYSJ-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB COc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 2488068 VVLKMMVOFZFKBH-UHFFFAOYSA-N 363.335 4.474 0 40 FIAB CCOC(=O)c1ccccc1C(=O)CCc1ccc(Br)cc1 2516754 UOEVAIMFJWTKKO-UHFFFAOYSA-N 361.235 4.441 0 40 FIAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1cc(Cl)ccc1Cl 2624008 BMWNGOQFLMNZGM-VIFPVBQESA-N 367.261 4.155 0 40 FIAB C[C@@H]1CCCCN1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 2655861 FGDOTRXEJQWUGL-OAHLLOKOSA-N 363.885 4.096 0 40 FIAB O=C(Nc1cc(F)ccc1F)c1ccc(COc2ccc3c(c2)OCO3)o1 2806828 KBOAQDGRKNTHGU-UHFFFAOYSA-N 373.311 4.118 0 40 FIAB Cc1cccc(OC(=O)NC[C@@H](C)OC(=O)Nc2cc(C)ccc2C)c1 3087653 KBPKWHHUBHRBNR-MRXNPFEDSA-N 356.422 4.337 0 40 FIAB Cc1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C 3196185 AKFQOUHPXRVBLV-UHFFFAOYSA-N 371.392 4.323 0 40 FIAB O=C(Cn1cc(C(F)(F)F)ccc1=O)c1ccc(-c2ccccc2)cc1 3350843 VFXAQBDAPPZGRU-UHFFFAOYSA-N 357.331 4.417 0 40 FIAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C 4073498 IABDMPHKMZWPIN-CZYKHXBRSA-N 354.490 4.121 0 40 FIAB biogenic CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4CCC5(C[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 4387189 NRLCHDRKDMRMBP-ZBVDZRMISA-N 374.521 4.012 0 40 FIAB CC(C)(NC=O)C(=O)N[C@@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C 4558170 REFAXTQPTQFEPN-HEWZJLJBSA-N 371.308 4.062 0 40 FIAB CC(C)(C)C(=O)COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1 4610739 XHNRCWJSARSTLE-UHFFFAOYSA-N 364.401 4.176 0 40 FIAB O=C(O)[C@H]1[C@H]2CCCCC2=C2CCCC[C@@H]2[C@H]1C(=O)Nc1nccs1 4946258 UAEKMUHPIUFOAJ-JONQDZQNSA-N 360.479 4.089 0 40 FIAB COc1ccc(C(=O)CSc2nc(C)cc(-c3ccccc3)n2)cc1 5744142 WDYBEUSYMGJTFY-UHFFFAOYSA-N 350.443 4.436 0 40 FIAB Cc1ccc(C(=O)[C@H](C)OC(=O)CCc2nc3ccccc3s2)cc1 6510784 ISSCXVCPKFQAGY-AWEZNQCLSA-N 353.443 4.352 0 40 FIAB CC[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 6847754 KILYKFVYOLZGAD-KDOFPFPSSA-N 358.869 4.116 0 40 FIAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(C(F)(F)F)cc1 8060819 ZDJPFQDWZHINOT-UHFFFAOYSA-N 361.323 4.327 0 40 FIAB Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 9318032 NZRQTOXEZZKBRY-AWEZNQCLSA-N 353.809 4.219 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 9495702 YXVALEBYEXYVOM-UHFFFAOYSA-N 368.820 4.458 0 40 FIAB Cc1ccc(CSCCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 9694916 LAXCSDJTRDDMGW-UHFFFAOYSA-N 369.939 4.001 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C 10264431 NAFXHTYYJCHRDQ-UHFFFAOYSA-N 366.490 4.084 0 40 FIAB COc1cc(NC(=O)c2ccc(CN3CCCC3)cc2)c(OC)cc1Cl 10338942 PRKBEAHGZMLSRU-UHFFFAOYSA-N 374.868 4.205 0 40 FIAB CC[C@@H](C(=O)OCC(=O)Nc1nc2ccc(F)cc2s1)c1ccccc1 11414926 QMGGRERWBYZMHM-CQSZACIVSA-N 372.421 4.111 0 40 FIAB CCCc1ccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)cc1 11870379 MWJRGONPCIDRBX-UHFFFAOYSA-N 366.490 4.123 0 40 FIAB Cn1ncc(Cl)c1[C@H]1CCCCCN1C(=O)c1c(F)cccc1F 12119566 VGERUJUOOHTPOO-CQSZACIVSA-N 353.800 4.109 0 40 FIAB Cc1cc(C)n([C@@H](C)CC(=O)N[C@H](Cc2cccs2)c2nccs2)n1 12225933 SVUMAVLAHFWGEB-GOEBONIOSA-N 374.535 4.069 0 40 FIAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(OC(F)F)cc1 12621545 LZSUSGQKSBDVNO-CQSZACIVSA-N 353.365 4.394 0 40 FIAB CC(=O)c1ccc(-c2ccc(C(=O)NCCCOc3ccccc3)o2)cc1 12783164 OVPOSNOETUYULN-UHFFFAOYSA-N 363.413 4.348 0 40 FIAB Cc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(C)c1 12786799 YKAIJJVYRXJHHH-UHFFFAOYSA-N 364.489 4.411 0 40 FIAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 12791050 GPJFWGMKWTYEAZ-INIZCTEOSA-N 371.308 4.197 0 40 FIAB C[C@@H](CCc1ccccc1)NS(=O)(=O)Cc1c(Cl)cccc1Cl 13679915 SAKBPXDFEUDHJK-ZDUSSCGKSA-N 372.317 4.434 0 40 FIAB O=C(NCCN1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 13687886 QTVDDMHAQFPZPU-UHFFFAOYSA-N 372.896 4.135 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1c(F)cccc1Cl 13695894 RACPZQMKKCJIDS-UHFFFAOYSA-N 358.800 4.031 0 40 FIAB Cc1sc2ncnc(N3CCCN(Cc4ccc(F)cc4)CC3)c2c1C 14085623 IKWRZYAJPPVUAE-UHFFFAOYSA-N 370.497 4.160 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1ncc(=O)c2ccccc21 14185731 RTNKMKYPOYVJHL-UHFFFAOYSA-N 363.461 4.282 0 40 FIAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCc3ccccn3)cc2)o1 14282953 DBFVMJLSIFELFI-UHFFFAOYSA-N 370.412 4.037 0 40 FIAB O[C@@H](COc1ccccc1)Cn1c(-c2cccs2)nc2ccccc21 14288036 LEJKSGLUKPJYPB-OAHLLOKOSA-N 350.443 4.205 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 15194587 CNZHRTXTTUHXLZ-MRVPVSSYSA-N 374.245 4.248 0 40 FIAB CCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 15838579 YITYABJOFGAZLU-UHFFFAOYSA-N 369.804 4.445 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCCc3ccccc32)cc1 16553145 CBEFHIJWSRFSNO-CQSZACIVSA-N 354.475 4.105 0 40 FIAB CN(Cc1cnn(C2CCCCC2)c1)Cc1nnc(-c2ccccc2)o1 19586611 UKJXFCHVWAECSN-UHFFFAOYSA-N 351.454 4.070 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1F 20490945 ZIPYKEPTNFHDMQ-GOSISDBHSA-N 365.445 4.172 0 40 FIAB O=c1oc2ccccc2n1CN1CCc2sccc2[C@H]1c1cccs1 23855643 BHRLVRJDFWDGAM-SFHVURJKSA-N 368.483 4.323 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)NC(C)C)c1 24511125 VILGSIXNBDSKEH-UHFFFAOYSA-N 361.829 4.131 0 40 FIAB COC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 25081838 NBRBBJCFFQVIMM-GFCCVEGCSA-N 358.246 4.089 0 40 FIAB O=C(Nc1nc2c(s1)CCC2)c1cc2cc(Br)ccc2[nH]1 25769468 URPRPDVXYPFZNA-UHFFFAOYSA-N 362.252 4.128 0 40 FIAB CCC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 27232112 UBZXOLLVSMSQJP-CYBMUJFWSA-N 370.474 4.446 0 40 FIAB Cc1ccc([C@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1 27744248 AOXPIRXPUNQORD-QFIPXVFZSA-N 366.505 4.107 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 27918422 QFXSXBJVSWIAGQ-INIZCTEOSA-N 368.502 4.432 0 40 FIAB Cc1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1C 27992237 JXFQXFACXXLKDB-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB O=C(COc1cccc(Cl)c1Cl)c1ccc(N2CCCC2=O)cc1 28066736 JYULIDSKVMCSRU-UHFFFAOYSA-N 364.228 4.382 0 40 FIAB COc1cc(C)c(NC(=O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1OC 29707813 ZGZCAGZQKAIQKF-QGPMSJSTSA-N 363.498 4.428 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCCC[C@H]3C)co2)cc1 31424522 HBENUPGYAAODPH-RDTXWAMCSA-N 374.506 4.278 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1nc(Cl)ccc1Cl 32762015 LNILWOXPMJBEQM-GFCCVEGCSA-N 370.305 4.017 0 40 FIAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1cc2ccccc2o1 32911983 PIDWRUOLLSMHDY-UHFFFAOYSA-N 363.339 4.079 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 33097148 BWGXQVVOFFZGTJ-WBMJQRKESA-N 367.276 4.279 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)c1 40288269 XVGFPSMUCYORSU-INIZCTEOSA-N 355.344 4.283 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1OC 44846140 ZFJFCJZVAQROMM-MRXNPFEDSA-N 368.477 4.185 0 40 FIAB C[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 48277645 YNAIQORLTPEIES-NSHDSACASA-N 373.305 4.216 0 40 FIAB CCCCO[C@H](C)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 48354835 VATPJVVAFYUWQG-CYBMUJFWSA-N 358.463 4.378 0 40 FIAB Cc1ccc(CNc2ncnc3c(C(=O)N4CCCC4)sc(C)c23)cc1 48989292 FPNPCSLPXPCGEJ-UHFFFAOYSA-N 366.490 4.156 0 40 FIAB Cc1cc(NCc2ccnc(OC3CCCC3)c2)nc(-c2ccncc2)n1 57826727 PNXBLZOYYFHHHI-UHFFFAOYSA-N 361.449 4.176 0 40 FIAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCO[C@@H](c2ccccc2)C1 58165889 KIMXUQREBRVDJC-OAQYLSRUSA-N 360.413 4.088 0 40 FIAB O=C(NCC1CCC1)c1oc2ccccc2c1CSc1ncccn1 58415892 CJBTVALFIOUXAQ-UHFFFAOYSA-N 353.447 4.045 0 40 FIAB O=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCC[C@@H]1c1cccs1 63900239 SCBLEOSWQANBJS-CQSZACIVSA-N 356.472 4.142 0 40 FIAB COc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1OC 65086198 NXGQXCJVKOQVFX-XYOKQWHBSA-N 359.853 4.119 0 40 FIAB COc1cccc([C@@H](CNC(=O)c2sccc2C2CC2)N2CCCC2)c1 67131056 MCLKUEPBPCYOPR-LJQANCHMSA-N 370.518 4.201 0 40 FIAB CC1(C)[C@H](Cc2cc(-c3ccc(F)cc3)on2)C[C@@H]1NC1CCOCC1 67889833 CUYBUBRKIHJTKH-QRWLVFNGSA-N 358.457 4.207 0 40 FIAB biogenic,in-vitro Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccncc4)C3)n2)c1 72349418 PNWBVJSBURURQZ-OAQYLSRUSA-N 371.484 4.401 0 40 FIAB O=C(Cc1cccnc1)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1 72380325 HFWHGDKSOIOVTR-SFHVURJKSA-N 366.852 4.031 0 40 FIAB Cc1cccc(COc2ccccc2C(=O)NCC(C)(C)C[C@@H](C)O)c1 76086476 AQADATGXXFRRIU-QGZVFWFLSA-N 355.478 4.101 0 40 FIAB c1ccc(-c2ccc3nc(C4CCN(Cc5ccco5)CC4)nn3c2)cc1 96038167 AJJWTYPONJVWCV-UHFFFAOYSA-N 358.445 4.369 0 40 FIAB CN(Cc1ccccc1)[C@@H]1COC2(CCN(Cc3cccs3)CC2)C1 96220948 TUYMCDZNQIQHEL-IBGZPJMESA-N 356.535 4.004 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CC(=O)NC(C)(C)CO)(C4)C2)C3)cc1 100864054 YQYNCQPCZQDQMP-FFACFXHASA-N 355.522 4.110 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 103508090 AJNNNDIHDQSGFJ-IERDGZPVSA-N 370.468 4.239 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 218955988 MOTPGAKJQDIJCZ-UHFFFAOYSA-N 359.425 4.498 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCS[C@H](c2ccccc2F)CC1 219072510 FLBUHMHBKWJRFR-FQEVSTJZSA-N 368.477 4.487 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219318473 VSAGXPFFBCBHCT-RTBURBONSA-N 371.477 4.437 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN(C)c1ccccc1 219335703 VAGPNLWZTRTGQB-OAQYLSRUSA-N 354.494 4.104 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C(C)C 222825054 GHJGEJJRNCPCSA-RBUKOAKNSA-N 356.539 4.462 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(C)c2)cc1Cl 223050115 YIGFFJNZBIACBB-UHFFFAOYSA-N 361.825 4.015 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 223925540 XOLQORDQIWZDQX-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224601401 QFTRSETYBZVHNA-INIZCTEOSA-N 362.429 4.087 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)c(Cl)c1Cl 224611638 OOAZHDHQGUDVBK-UHFFFAOYSA-N 374.289 4.444 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)ccc1F 224889477 XOWOWOATHWAHGR-MSOLQXFVSA-N 352.438 4.034 0 40 FIAB CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224911563 JTURTRUPCDNZHK-UHFFFAOYSA-N 350.418 4.499 0 40 FIAB COc1ccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)cc1 224942429 IIQUHVNJQORSFS-KRWDZBQOSA-N 363.457 4.222 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224967066 SABCJRSNEVZGJM-NRFANRHFSA-N 368.477 4.482 0 40 FIAB CCOc1ccccc1NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917869 KWHAMGUCQNQHKS-UHFFFAOYSA-N 362.433 4.488 0 40 FIAB Cc1cccc(NC(=O)CCNC(=O)c2ccc3nc(Cl)sc3c2)c1 225979788 DTVFGZWLUUNAIH-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB Cc1cc(Br)c2nc(-n3ncc4ccccc4c3=O)sc2c1 226335038 DITFZLGEDUEZFF-UHFFFAOYSA-N 372.247 4.066 0 40 FIAB O=C(NCc1ccnc(-c2cccs2)c1)c1cc(-c2ccccc2)n[nH]1 238896430 RBUDCJPDKVMMAW-UHFFFAOYSA-N 360.442 4.130 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)c1 409103885 XGSFFHODHPGWJJ-UHFFFAOYSA-N 370.453 4.062 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@](C)(O)Cc1ccsc1 618255242 NVLVNDPYJRJBLN-OAQYLSRUSA-N 369.486 4.024 0 40 FIAB O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@H]1CCCC(F)(F)C1 629620673 BGAQFGUCNUNGSN-JTQLQIEISA-N 358.791 4.445 0 40 FIAB OCc1ccc(Br)cc1NCc1cccc(OC2CC2)c1F 657456155 PJVBWCABGHTREY-UHFFFAOYSA-N 366.230 4.234 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)c2cncc(F)c2)CN1c1ccc(F)cc1 2037988634 BPSBVHPIHOANIJ-NRFANRHFSA-N 371.431 4.024 0 40 FIAB CCN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 719331 SEOVLQZYRHFENU-UHFFFAOYSA-N 358.898 4.154 0 40 FIAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1COc2ccccc2O1 725535 PAOAJIZLZJISTJ-VGOFRKELSA-N 373.452 4.163 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Oc2c(C)cccc2C)o1 877828 ZRGRXUFLBQSEDC-UHFFFAOYSA-N 354.431 4.360 0 40 FIAB CCOC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 955244 LTSBAULNIYHPBW-VBKFSLOCSA-N 374.234 4.238 0 40 FIAB COCC(=O)N(Cc1cc2ccc(C)c(C)c2nc1Cl)C1CCCC1 1367712 CUPRGWBJLNHIHZ-UHFFFAOYSA-N 360.885 4.423 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@@H](C)[C@@H](C)[C@H]3O 1638050 YPUTYHJWWMYIGF-FTLABTOESA-N 372.461 4.300 0 40 FIAB CCCCCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2149683 FGTWABTVKPWDKV-UHFFFAOYSA-N 365.429 4.145 0 40 FIAB biogenic Cc1cccc(-c2nnc3sc(COc4cc(C)ccc4C)nn23)c1 2183284 AIZKXRVUTYTARG-UHFFFAOYSA-N 350.447 4.357 0 40 FIAB CCOC(=O)C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 2269907 NFRPKMWOXXHTLY-UHFFFAOYSA-N 365.501 4.351 0 40 FIAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cc(C)c(C)cc1C 2320002 FFSCMTOSIVPJEX-UHFFFAOYSA-N 350.418 4.440 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(C)cc1 2452014 SJPBJZQKVANOQB-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB Cn1c(SCCCC(=O)c2ccccc2)nnc1-c1ccc(F)cc1 2623361 YHATYIFBCRPWOZ-UHFFFAOYSA-N 355.438 4.376 0 40 FIAB FC(F)(F)[C@@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 3421287 ORPOAZNTIGGKQZ-CQSZACIVSA-N 358.367 4.471 0 40 FIAB Cc1cc2occ(CC(=O)NCc3ccc4c(c3)OCO4)c2cc1C(C)C 3524064 XSMVCXBTILWMBK-UHFFFAOYSA-N 365.429 4.452 0 40 FIAB Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2 3912423 HINOUKZWFGFSJW-UHFFFAOYSA-N 367.449 4.248 0 40 FIAB CC(C)N(/C(=C/n1ccccc1=O)OC(=O)c1ccc(Cl)cc1)C(C)C 4602173 VDSRCOXCWVCCSR-UYRXBGFRSA-N 374.868 4.233 0 40 FIAB C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 4747275 OAZITJUUAWYFTF-NNQQKZCGSA-N 360.494 4.066 0 40 FIAB COCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)c1ccco1 4880927 AFFKDOHELGIMRG-UHFFFAOYSA-N 372.852 4.387 0 40 FIAB S=C(NCCc1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 5066082 ADEJSORHXYWNRC-UHFFFAOYSA-N 363.530 4.254 0 40 FIAB COc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 5513876 WTPSIFTUBNWWRX-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5557140 WVLYGPOXEUFRSD-IRXDYDNUSA-N 367.840 4.036 0 40 FIAB COc1cc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc(OC)c1OC 6478532 KUGVPVFJLNQMOL-UHFFFAOYSA-N 372.446 4.191 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1C 6500321 KGAMTQNOHILVGD-UHFFFAOYSA-N 361.482 4.413 0 40 FIAB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OC(F)F)cc2)NC1=S 6525211 RCKIWMVIWKWZLB-PILJQMSFSA-N 374.412 4.107 0 40 FIAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 6578509 VRFBCLSRMLIUBQ-UHFFFAOYSA-N 365.454 4.151 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cccc(Cl)c1 6911606 SZXDGCGOXJUJKP-UHFFFAOYSA-N 353.249 4.073 0 40 FIAB O=C(OCc1cn2cc(Cl)ccc2n1)c1csc(-c2ccccc2)n1 7121835 FZCHRYGZPBQDEH-UHFFFAOYSA-N 369.833 4.468 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)Cc3ccccc3)o2)c1 7159415 JSLYEZMZNXNPBH-UHFFFAOYSA-N 367.474 4.104 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(OC(F)F)cc2)cc1 7421156 XOESRIAKSXBXPD-CQSZACIVSA-N 362.420 4.309 0 40 FIAB CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C1CC1 7618752 DDYUIHMTFNGRNH-QGZVFWFLSA-N 370.522 4.021 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1 7624396 YBTKYRHPTZFHRJ-YOEHRIQHSA-N 355.507 4.239 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCCc1c[nH]c2ccccc12 7734809 WIKAVEZTHNFYTA-UHFFFAOYSA-N 374.484 4.369 0 40 FIAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2ccccc2)o1 7905667 POFDTLCXYWNXAK-LLVKDONJSA-N 353.451 4.394 0 40 FIAB Cc1ccc(CNC(=O)COc2ccccc2C2SCCS2)cc1 8190382 MXIMNBYCRFSVRG-UHFFFAOYSA-N 359.516 4.169 0 40 FIAB O=C(NCCc1cccc(Cl)c1)c1cc(C2CC2)nn1-c1ccccc1 8324177 YMNQKPZJRBPTIJ-UHFFFAOYSA-N 365.864 4.376 0 40 FIAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 9592716 DRKJVFTVHOEYPB-UHFFFAOYSA-N 374.227 4.210 0 40 FIAB CSc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 10252336 YMKZEKODSKIQQE-UHFFFAOYSA-N 374.531 4.019 0 40 FIAB C[C@@H]1CCCCN1Cc1nc(-c2cccnc2OC2CCCCC2)no1 12365410 PPNUWFFHYCZVBB-OAHLLOKOSA-N 356.470 4.218 0 40 FIAB COc1ccc(Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 12542179 KKFRPNHFFHPLHA-UHFFFAOYSA-N 368.462 4.126 0 40 FIAB O=C(c1cn2ccccc2n1)N(CCc1ccccc1)Cc1ccccc1 12627929 NFOHQGJFGDFCQP-UHFFFAOYSA-N 355.441 4.219 0 40 FIAB Cc1ccc([C@@H](NC(=O)COc2cccc(Br)c2)C2CC2)cc1 12862594 QHPHQIMLSIJGOZ-LJQANCHMSA-N 374.278 4.404 0 40 FIAB CCc1ccc([C@@H](NS(=O)(=O)c2ccccc2)c2cccs2)cc1 12915031 BFAOZGBBSVFBNJ-LJQANCHMSA-N 357.500 4.378 0 40 FIAB C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1Cl 12924525 JDMYJVDKQCAHJG-ZBEGNZNMSA-N 360.866 4.020 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12 13008791 VLOZPUKIMLQJGE-CYBMUJFWSA-N 372.428 4.128 0 40 FIAB COc1cccc(N2C[C@@H](C(=O)Nc3c(C)cccc3C(C)C)CC2=O)c1 13021462 GBSUGZWKXXHAGB-INIZCTEOSA-N 366.461 4.119 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3ccc4ccccc4c3)c[nH]2)cc1 13592356 FVWGCWJKHXQSMN-UHFFFAOYSA-N 371.440 4.211 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)COc2cc(C)cc(C)c2)c(OC)c1 15829596 PUVMSMHPWRCIDP-HXUWFJFHSA-N 369.461 4.063 0 40 FIAB COCCn1c(SCCOc2ccc(C)cc2C)nc2ccccc21 15860705 KOGRVHASDGKYAD-UHFFFAOYSA-N 356.491 4.471 0 40 FIAB COc1ccc(N2CCn3c(SCc4ccccc4C)nnc32)cc1 17135913 SBBHICGBURIYCY-UHFFFAOYSA-N 352.463 4.039 0 40 FIAB O=C(CCc1nc2ccccc2nc1O)OCc1ccc2ccccc2c1 18190951 SEXZOHSOAFROPR-UHFFFAOYSA-N 358.397 4.165 0 40 FIAB C=Cc1ccc(Cn2nc(-c3ccco3)c(-c3cc(C)no3)cc2=O)cc1 19121149 MPZAWKXZGIMLDF-UHFFFAOYSA-N 359.385 4.158 0 40 FIAB CCc1ccc(N2C(=O)C[C@@H](N(CCC(C)C)CCC(C)C)C2=O)cc1 20081793 XDSCHLABBKFZIQ-HXUWFJFHSA-N 358.526 4.275 0 40 FIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)OCCCO2 22400080 SADSJNASWKHEGP-UHFFFAOYSA-N 370.405 4.363 0 40 FIAB CC(C)[C@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccc(C(C)(C)C)cc1 22847366 HGGUDNLLHZGFJU-IBGZPJMESA-N 360.542 4.350 0 40 FIAB O=C(OCc1noc(-c2ccco2)n1)C(c1ccccc1)c1ccccc1 23949051 ZPINFWNXJPBHJD-UHFFFAOYSA-N 360.369 4.205 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1occc1-c1ccccc1 24836679 HCFPLKQDHCHXPE-LJQANCHMSA-N 364.445 4.497 0 40 FIAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C2CC2)cs1 25558776 SXBAZJZKNZQEMW-LBPRGKRZSA-N 371.506 4.075 0 40 FIAB Cc1ccc([C@@H](NC(=O)CN2CCSc3ccccc32)C2CC2)cc1 26174111 MFBBJERHTAHQFB-OAQYLSRUSA-N 352.503 4.175 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1C 27582973 BQAHBEPOPSZESY-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB CCn1c(SCc2cccnc2)nc2sc3c(c2c1=O)CCCC3 27778794 FIHRWZXZZKWTJL-UHFFFAOYSA-N 357.504 4.044 0 40 FIAB Cc1c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)oc2c(F)cccc12 30030113 OFUIKFFEXBQGGI-SFHVURJKSA-N 352.409 4.009 0 40 FIAB Cc1noc2ncc(C(=O)N(Cc3c(F)cccc3Cl)C3CC3)cc12 30997515 TVBVDVWFJNWJPL-UHFFFAOYSA-N 359.788 4.129 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578663 NPORVZIESAVWMB-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cc(C(C)(C)C)no1 36392395 MJMBTZPEEFKYHM-CYBMUJFWSA-N 355.438 4.350 0 40 FIAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NC[C@@H]2CCCO2)n1 36614199 PJMLRNAWVHFZLJ-LBPRGKRZSA-N 357.763 4.407 0 40 FIAB O=C(Nc1cccs1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 38899990 LGMYOPAOUTWYBH-LLVKDONJSA-N 360.464 4.271 0 40 FIAB O=C1SC[C@]2(C(=O)Nc3ccccc32)N1c1cccc(C(F)(F)F)c1 39324365 HASQDZCCFUOIKY-INIZCTEOSA-N 364.348 4.226 0 40 FIAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39768426 SQNDRTQNQITTCR-UHFFFAOYSA-N 368.496 4.095 0 40 FIAB C[C@H]1CCCCN1CCCCNC(=O)Nc1cccc(OC(F)F)c1 40120492 CKFHTRNHNHLVIV-AWEZNQCLSA-N 355.429 4.064 0 40 FIAB O=C(CNc1ccc(SC(F)F)cc1)NCc1ccccc1Cl 40162253 FUBYSNLVFUMFEP-UHFFFAOYSA-N 356.825 4.383 0 40 FIAB COc1ccc(SCC(=O)Nc2cccc(Cl)c2C)cc1OC 44884082 HJHWSWPBYJSUFN-UHFFFAOYSA-N 351.855 4.396 0 40 FIAB O=S(=O)(c1ccccc1NCCc1c[nH]c2ccccc12)C(F)(F)F 48249844 NFVIZIXHXMPHKX-UHFFFAOYSA-N 368.380 4.116 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)o2)cc1 48513638 KVSOKTHPFNDYQA-GFCCVEGCSA-N 374.491 4.238 0 40 FIAB CCCn1cc(-c2nc(-c3ccc(F)cc3)no2)c(=O)c2cc(F)ccc21 49001974 RHEWTZWVNDCMKD-UHFFFAOYSA-N 367.355 4.407 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCCCC[C@H]2c2ccncc2)c1)C1CC1 49765264 QSSGQCZNZOFFOT-FQEVSTJZSA-N 363.461 4.188 0 40 FIAB Cc1cc(C)c(NC(=O)N[C@H](c2ccccc2F)c2nccn2C)c(C)c1 54007906 QZDIPRVRFRUSCJ-LJQANCHMSA-N 366.440 4.396 0 40 FIAB FC(F)(F)c1cccc(N2CCN(Cc3nc4ccccc4o3)CC2)c1 57315257 PRBRBZCCSLVRIY-UHFFFAOYSA-N 361.367 4.169 0 40 FIAB O=C(CC[S@](=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 58098071 UYJJADUQUPEPBV-HSZRJFAPSA-N 374.264 4.410 0 40 FIAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc2c1OCCO2 58426372 HCMFZWDXEACQOY-UHFFFAOYSA-N 369.804 4.301 0 40 FIAB O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1ccc(Cl)nc1 59020548 SFAIYWXIAUNITJ-KRWDZBQOSA-N 370.811 4.424 0 40 FIAB Cc1cc(NCCOc2cccc3ccccc23)nc(-c2ccncc2)n1 60860638 IODOXRNEHCHWLA-UHFFFAOYSA-N 356.429 4.491 0 40 FIAB c1cncc(-c2noc([C@@H]3CC34CCN(c3nc5ccccc5o3)CC4)n2)c1 69843384 WZERMQBMEIHJPY-HNNXBMFYSA-N 373.416 4.047 0 40 FIAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccccc1C(F)(F)F 70969619 ZCRBJAFUJSQFKN-GOSISDBHSA-N 364.367 4.125 0 40 FIAB Cc1cnccc1-c1c[nH]nc1-c1cccc(CNC(=O)c2ccccc2)c1 72345006 GOMIYGOYACYOAE-UHFFFAOYSA-N 368.440 4.377 0 40 FIAB O=C(c1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359327 HZZYJQAXFSVREY-UHFFFAOYSA-N 361.420 4.303 0 40 FIAB C[C@H](C(=O)N(C)Cc1ccccc1)[S@@](=O)Cc1ccc(C(C)(C)C)cc1 78530192 NGFJKNJAIBOYJK-WGDIFIGCSA-N 371.546 4.280 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)CCCNC(=O)c1ccsc1)C(C)(C)C 79024996 DXXKKVANNKQEQG-LJQANCHMSA-N 372.534 4.470 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)c2)no1 84281547 SJZGUUNYUHXGPF-UONOGXRCSA-N 368.359 4.288 0 40 FIAB Cn1c(/C=C(\O)c2ccc(OC(=O)C(C)(C)C)cc2O)nc2ccccc21 101196921 QYIUFCUQDHRQBS-PDGQHHTCSA-N 366.417 4.287 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219330386 JJVFNVAVQNRHFF-GHTZIAJQSA-N 355.478 4.353 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225470464 GFYXUYFQKHKZTG-HNNXBMFYSA-N 353.491 4.169 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(OCc2ccccc2)ncn1 225533747 YUWDTJLOSKVMCW-UHFFFAOYSA-N 373.334 4.327 0 40 FIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)cc1 225745965 XBMAJVNPRVLPGS-FQEVSTJZSA-N 351.487 4.416 0 40 FIAB COc1cc(OC)cc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)c1 226272280 NQORRTSXTLJGHG-UHFFFAOYSA-N 366.295 4.013 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408707923 MPFXDTGTXNNOML-AOCRQIFASA-N 356.510 4.069 0 40 FIAB Cc1cc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)ccc1Br 409129688 SACZKHOUUHZWPH-QPEQYQDCSA-N 364.220 4.341 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2noc3c2CCCC3)o1 518597653 BRJWCIZPRYHTQE-GUYCJALGSA-N 357.454 4.138 0 40 FIAB Cc1cc2cc[nH]c2cc1NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 548737824 QBWOZIJGYKKSOV-HNNXBMFYSA-N 368.506 4.449 0 40 FIAB O=C(O)c1cc2cc(CN3CCC(Oc4ccc(F)cc4)CC3)ccc2o1 566357843 OEFCOHWXCKVWGU-UHFFFAOYSA-N 369.392 4.314 0 40 FIAB CCOc1ccc(NC(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1 585148064 DZYAKMZYLYUDKW-LJQANCHMSA-N 366.417 4.200 0 40 FIAB CCc1nc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)no1 606382994 YPZIUFKWILVIDD-CYBMUJFWSA-N 359.426 4.353 0 40 FIAB COc1ccc(Nc2nc(C(=O)N[C@H](C)c3cnccc3C)cs2)cc1 678415348 BECZNWZCEPFYCW-CYBMUJFWSA-N 368.462 4.090 0 40 FIAB COc1ccc(-c2nsc3c(N(C)Cc4ccccc4)ncnc23)cc1 1370763 UARUPCBVVYBBKY-UHFFFAOYSA-N 362.458 4.398 0 40 FIAB O=C1[C@@H]2CS[C@@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)cc1 1443298 VXPKRYQJIBJFDE-HOCLYGCPSA-N 362.813 4.062 0 40 FIAB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)/C=C/c4ccccc4)cc1c32 1819953 SVIDEXSHVWZCQE-MDZDMXLPSA-N 373.408 4.030 0 40 FIAB biogenic C[C@@H](NC(=O)CSc1ncnc2c1oc1ccccc12)c1ccccc1 2435954 YLURPJXTBJYEDW-CYBMUJFWSA-N 363.442 4.346 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nnc(C)n2Cc2ccccc2)c1 2626907 SIKCWUOHAAUFOC-UHFFFAOYSA-N 351.475 4.227 0 40 FIAB O=C1c2cccc(Br)c2C(=O)N1c1cccc2ccccc12 3014130 WMBPOHQPIPUJQA-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB FC(F)(F)c1ccc(Cl)c(NNC(=S)NCc2ccccc2)c1 3338628 CHFNMTVRCWPZPE-UHFFFAOYSA-N 359.804 4.350 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3423662 IHWYHYDVXUZCOJ-HNNXBMFYSA-N 374.843 4.278 0 40 FIAB Cc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 4513617 FFLQOMPMUBGGTH-SFHVURJKSA-N 363.244 4.269 0 40 FIAB COc1ccc(NC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 4649864 QJSXHOGTZAOYTG-UHFFFAOYSA-N 359.389 4.049 0 40 FIAB Cc1ccc(Cn2cccc(NC(=O)Nc3ccc(F)cc3F)c2=O)cc1 5000884 VHEGUSAEGDIFOT-UHFFFAOYSA-N 369.371 4.127 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccnn1Cc1ccccc1 5256359 VZNFUTIWUAUOLI-UHFFFAOYSA-N 360.244 4.419 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1 5269372 IRGLLVWQYFWTCH-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=S(=O)(c1ccccc1)[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1 5722012 QWDDSJFANYSBPX-RTWAWAEBSA-N 365.454 4.370 0 40 FIAB COc1ccc(-c2nc(CC(=O)OCc3ccccc3)cs2)cc1OC 6007037 WZLHHKGLAVOYOF-UHFFFAOYSA-N 369.442 4.113 0 40 FIAB COc1ccc([C@@H](CNc2ncnc3sc(C)c(C)c23)N(C)C)cc1 6628143 HGLOPJZRUUMYDY-MRXNPFEDSA-N 356.495 4.032 0 40 FIAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NC1CCCCCC1 6942459 VONQHPRLVPUSTC-ZHACJKMWSA-N 369.383 4.101 0 40 FIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1 7050578 VACAXQBZHFIDRM-CYBMUJFWSA-N 361.463 4.096 0 40 FIAB CCN(C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1ccc(F)cc1 7191806 HEHYVYJOPBMNEL-UHFFFAOYSA-N 370.453 4.064 0 40 FIAB COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccc(O)c3)C[C@H]21 7570802 GLPQSXIHKBSCBM-KNQAVFIVSA-N 373.412 4.038 0 40 FIAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 7780277 HWQLPZRAYGAGHL-UHFFFAOYSA-N 365.454 4.151 0 40 FIAB CC(=O)c1c(C)[nH]c(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c1C 7844241 JVUPQNDDLAPTLU-UHFFFAOYSA-N 367.474 4.447 0 40 FIAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cccc2ccccc12 8230701 HWJNICKAFNVZCN-CYBMUJFWSA-N 367.478 4.061 0 40 FIAB COc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CCSc3ccccc32)c1 8328526 GBHNLGZJDNHEAB-RDTXWAMCSA-N 356.491 4.239 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)N2CC[C@H]3CCCC[C@@H]3C2)no1 8368649 PMZVYVKZXPUZRF-HZPDHXFCSA-N 371.506 4.323 0 40 FIAB CCc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)nnn1-c1ccccc1 8715174 HKPSODPXQXSIFE-UHFFFAOYSA-N 360.339 4.101 0 40 FIAB CCN(CC)c1ccc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 9188427 SJYDTQUILINSDG-UHFFFAOYSA-N 371.525 4.170 0 40 FIAB O=C(c1ccccc1)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 9192034 KGFDCKIXGSRSRC-UHFFFAOYSA-N 354.409 4.375 0 40 FIAB Cc1nc(-c2cccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)c2)cs1 9460210 XNURNYQATGYDHK-SFHVURJKSA-N 364.426 4.359 0 40 FIAB O=C(COc1ccccc1-c1ccccc1)Nc1nc2c(s1)CCC2 9514380 VKDSMBWVGJJAMK-UHFFFAOYSA-N 350.443 4.316 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c2c1[C@@H](C)CC2=O 11052234 RLHCXWIJKCDGTQ-NSHDSACASA-N 361.800 4.495 0 40 FIAB C[C@H](NC(=O)c1ncoc1-c1ccccc1C(F)(F)F)c1ccccn1 12115189 ZYFABUYVEOWXTN-NSHDSACASA-N 361.323 4.246 0 40 FIAB CCCC(=O)N(Cc1ccccc1)Cc1nc(C)ncc1-c1ccncc1 12222092 VTRSQFFHVGBVIK-UHFFFAOYSA-N 360.461 4.176 0 40 FIAB Cc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c(C)c1 12232697 YZKVLLAYVYTPHW-UHFFFAOYSA-N 364.470 4.312 0 40 FIAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(Cl)cc1F 12519832 IKWPNBKWVZUIJI-UHFFFAOYSA-N 367.758 4.496 0 40 FIAB Cc1ccc(-c2noc(CSCC(=O)Nc3ccccc3)n2)cc1F 13012313 FUHDTFTYVWDHNB-UHFFFAOYSA-N 357.410 4.056 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)o1 14093962 XDJKTGFDQZPHKI-OCCSQVGLSA-N 371.462 4.039 0 40 FIAB CC(=O)c1ccc(OC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 14464238 WHZYHVWBXROIDU-UHFFFAOYSA-N 354.333 4.420 0 40 FIAB C[C@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccccc2)n1 15832348 XBEFDKRXPCIFJB-ZDUSSCGKSA-N 356.422 4.033 0 40 FIAB O=C1O/C(=C(\Cc2ccccc2)c2ccccc2)N(c2ccccc2)C1=O 17005377 DRMFAOMMSBWWSC-LSDHQDQOSA-N 355.393 4.188 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(C)c2)n1 21168558 BIUSWVUOGFADPD-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB Cc1cccc(-c2nc(NC(=O)COc3ccc(Cl)c(C)c3)no2)c1 21806558 VCKCSPLQQZRKBZ-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CN(Cc1ccccc1Br)C(=O)c1ccc(Br)o1 23572422 HTRRHZQDXYKKLI-UHFFFAOYSA-N 373.044 4.077 0 40 FIAB Cc1cccc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1 23864533 CIBZTVPDIVTCNX-MRXNPFEDSA-N 365.502 4.124 0 40 FIAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 24262666 LTAUSWBMQAJRCR-UHFFFAOYSA-N 373.455 4.003 0 40 FIAB Cc1noc(C)c1CSCC(=O)Nc1ccccc1N1CCCCC1 24754373 QPTARDIZAKXISX-UHFFFAOYSA-N 359.495 4.154 0 40 FIAB O=C(Nc1ccccc1O)c1csc(COc2ccc(Cl)cc2)n1 24928001 WELNLXQDWAFCJJ-UHFFFAOYSA-N 360.822 4.333 0 40 FIAB Cc1cc([C@H](C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c(C)s1 25015441 HARIRJXVHSOPGS-LBPRGKRZSA-N 357.479 4.140 0 40 FIAB CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1 26047081 OWTJRVMMHKXATP-UHFFFAOYSA-N 365.458 4.114 0 40 FIAB Oc1ccc(CCC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 26114374 SBKMPTOETZMPKY-UHFFFAOYSA-N 363.461 4.287 0 40 FIAB O=C(NC[C@@H]1CCCO1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 27395953 XJRJIMYLJCJWNO-KRWDZBQOSA-N 365.351 4.407 0 40 FIAB OCn1nc(COc2cccc3ccccc23)n(-c2ccccc2)c1=S 27579084 GVKNOJPKSBESGK-UHFFFAOYSA-N 363.442 4.085 0 40 FIAB COc1ccc(CC(=O)Nc2c(C)nn(Cc3cccc(C)c3)c2C)cc1 28247288 PSPGAVIOLJFGHL-UHFFFAOYSA-N 363.461 4.046 0 40 FIAB CC(=O)c1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 30291489 RRQQCLMNYGOTTO-LLVKDONJSA-N 365.260 4.485 0 40 FIAB CCOc1cccc2cc([C@H](C)NC(=O)NCCc3cccs3)oc12 32802161 KYCOVSXEKGVDFN-ZDUSSCGKSA-N 358.463 4.496 0 40 FIAB COc1ccc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 32978780 JGVBOYMWHQSVHY-UHFFFAOYSA-N 367.426 4.447 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)c1cc(C)nc3ccc(C)cc13)OCO2 32994732 BWBOJJGTIAUPEP-UHFFFAOYSA-N 362.385 4.035 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc2)cc1 36148774 VCVDVVNQDRNFJS-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39773366 JDVRWITVIRLDMV-UHFFFAOYSA-N 370.880 4.393 0 40 FIAB CCN(CC)Cc1cccc(NC(=O)CSc2ccc(OC)cc2)c1 40086911 CFHYOBHDTZERQM-UHFFFAOYSA-N 358.507 4.268 0 40 FIAB COC(=O)c1cc(Cl)c(NC(=O)NCCC2CCCCC2)cc1OC 48314747 LBSFKANLZAGEOB-UHFFFAOYSA-N 368.861 4.227 0 40 FIAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Cl)cc1 51364516 ZNZPIHJJRHFABA-QGZVFWFLSA-N 364.832 4.499 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)C3(c4ccc(C(C)(C)C)cc4)CC3)C2)n1 56131366 CFFAATALADRJKZ-INIZCTEOSA-N 367.493 4.113 0 40 FIAB C[C@H](c1ccccc1F)N(C)C(=O)NCCCc1nc2ccccc2[nH]1 56373670 MGBPCECQJGKNMP-CQSZACIVSA-N 354.429 4.037 0 40 FIAB FC(F)Sc1ccc(Nc2nnnc3c2cnn3-c2ccccc2)cc1 56907339 KFPOOVNVCPFXFM-UHFFFAOYSA-N 370.388 4.269 0 40 FIAB O=c1[nH]c(CN(Cc2ccccc2F)C2CCCCC2)nc2ccccc12 60563353 HNQGNODXWGTAMM-UHFFFAOYSA-N 365.452 4.397 0 40 FIAB O=C(CN(Cc1cccc(-c2cccnc2)c1)C1CC1)Nc1ccccc1 89845648 SYYWHUFJPCWNMO-UHFFFAOYSA-N 357.457 4.352 0 40 FIAB CC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2[C@H](O)C(C)C)cc1 95444500 RBPFMFUMYSODKC-HXUWFJFHSA-N 361.507 4.375 0 40 FIAB COCc1cccc(OCC2(COc3ccc(NC(=O)OC)cc3)CC2)c1 95455658 WWDROFDRQIJUSE-UHFFFAOYSA-N 371.433 4.249 0 40 FIAB FC(F)(F)COc1ccc(CN[C@@H]2CSCCc3ccccc32)cn1 95967301 SLMQHIHLZCNEHV-MRXNPFEDSA-N 368.424 4.143 0 40 FIAB CC(C)(C)n1ccnc1SCC(=O)N1CCC[C@@H]1/C=C/c1ccccc1 96004225 FKAKKZBZYZBDPF-IENJSVCTSA-N 369.534 4.435 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1c1nc2ccccc2o1 96122585 QCXRGLFNEWSQGO-INIZCTEOSA-N 355.825 4.397 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 100423193 UPPFCJZRJAQWLZ-NHCUHLMSSA-N 365.546 4.477 0 40 FIAB C[C@@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]2CC[C@H]1C2 103112248 RTXZBUSSCJLHIH-XYHSWHGKSA-N 360.567 4.018 0 40 FIAB Cc1cc(NC(=O)[C@@H](OC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 105657144 SRJZQPPFTIHAEI-REGYPHIPSA-N 368.433 4.032 0 40 FIAB O=C(Nc1ccccc1Br)c1cnc(-c2ccc(F)cc2)nc1 222612840 PKVSLSZTECZLKL-UHFFFAOYSA-N 372.197 4.298 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 222868408 ZJRVZZOWPCXFAQ-RTBURBONSA-N 354.523 4.381 0 40 FIAB CC(C)Sc1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 223897952 VSPBQGBOQIIJHN-UHFFFAOYSA-N 371.915 4.490 0 40 FIAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1C 224101728 ZLNQQMUUMFKBMY-UHFFFAOYSA-N 353.462 4.455 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 224467815 BRAUSUSJXZYIOW-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB O=C(CSCc1cccc2ccccc12)NCCOc1ccc(F)cc1 224954572 HBNXXLYPVXOHJZ-UHFFFAOYSA-N 369.461 4.407 0 40 FIAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 225332938 AOSFBDDFACQWJU-MRXNPFEDSA-N 373.324 4.427 0 40 FIAB COc1c(C)cc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572711 BRESLNWLSASAQQ-UHFFFAOYSA-N 357.425 4.138 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)NCCCc1ccc(Cl)cc1 225813201 OUQVNMAFFMBIBX-UHFFFAOYSA-N 371.786 4.487 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccncc3)CCCC2)c1 225863351 QSNOMUUUPGKKLE-UHFFFAOYSA-N 369.490 4.014 0 40 FIAB Cn1cccc1CN(C(=O)c1ccc2nc(Cl)oc2c1)C1CCCC1 225982330 CGAQKXPYTRYDHK-UHFFFAOYSA-N 357.841 4.405 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(/C=C/C(=O)O)c2)c1 226322704 ORIJRWXFZITMQN-CSKARUKUSA-N 353.418 4.234 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 247991601 MVTUQUDYXZAYQX-SMOSDQRPSA-N 356.510 4.304 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H]2c2ccccn2)nc1 257246680 IVGYJBKGSQUAKH-NRFANRHFSA-N 359.429 4.179 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCC[C@H]1CC 260492725 ONESPQPJKIGFOC-MJGOQNOKSA-N 366.933 4.268 0 40 FIAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccccc1F 408595719 MPLCRPNEZYYPHR-UHFFFAOYSA-N 357.435 4.076 0 40 FIAB CC(C)(NC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1 520676104 LRBKDBAOHOLAFE-UHFFFAOYSA-N 350.487 4.328 0 40 FIAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCCO[C@H](c2ccccc2)C1 679469559 PWWGMKBJLFBSLT-YADHBBJMSA-N 365.473 4.184 0 40 FIAB COc1cc(Cl)c(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc1C 685206269 DAGDJJYJSDEUSW-VBKZILBWSA-N 357.837 4.336 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2F)cc1Br 1775970997 CAYGPACIYXQBGF-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CC(C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 797300 FLRRKKGCAYNBTC-UHFFFAOYSA-N 359.381 4.206 0 40 FIAB O=C(CSCc1ccccc1)Nc1nnc(Cc2ccc(F)cc2)s1 841355 AOLYJOGXVRLJHA-UHFFFAOYSA-N 373.478 4.140 0 40 FIAB CCCCCn1c(N)c(C(=O)O[C@H](C)CC)c2nc3ccccc3nc21 2426562 YTNPBTQHSKVKCV-CYBMUJFWSA-N 354.454 4.312 0 40 FIAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCC(C)C)c3n2)cc1 2485424 DLUDYBWCZRXTIU-UHFFFAOYSA-N 372.419 4.418 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)N(C)C3CCCCC3)nc2c1 2625990 OAOOHJLJOAROJW-UHFFFAOYSA-N 358.507 4.435 0 40 FIAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc2ncsc2c1 2726494 LCNYWNHEUDDYJB-UHFFFAOYSA-N 361.806 4.173 0 40 FIAB CC(=O)[C@@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1 3300780 RPTPCORQHKDHRX-GOSISDBHSA-N 372.852 4.129 0 40 FIAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccc(Br)cc12 3353716 UDHKAHONUCRVKQ-UHFFFAOYSA-N 374.190 4.485 0 40 FIAB C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 3648892 DCHGXGVIYMCDCT-QGZVFWFLSA-N 360.457 4.273 0 40 FIAB Cc1cc(C)c(C)c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1C 5039854 ZWINRXSCGNFVHS-UHFFFAOYSA-N 370.518 4.353 0 40 FIAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccccc1 5185810 YQEUENZAHZKSMI-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1F 5457897 LEMJSIQJSDGPTH-SFHVURJKSA-N 363.388 4.237 0 40 FIAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(F)cc1 5463405 XTQUGTHXCMIIPE-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB O=C(NCc1ccc(CNC(=O)C2CCCCC2)cc1)C1CCCCC1 6332546 KFNLHQZSQOKQBB-UHFFFAOYSA-N 356.510 4.080 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(F)c1)S[C@@H](C)C(=O)N2 6678890 MGNGJNTUOUSTRJ-UGSOOPFHSA-N 367.449 4.483 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccccc2Br)c(Cl)c1 7403977 XRPOKYTXWXBYQO-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2F)c1 7601331 YZVXXNIZKHGHRG-UHFFFAOYSA-N 372.469 4.355 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1cc(SC)ccc1Cl 8389895 IUGDPIYIDHGGKQ-UHFFFAOYSA-N 362.882 4.454 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 8726621 SPTPGPGDLBFARU-LLVKDONJSA-N 361.228 4.447 0 40 FIAB COc1ccc([C@@H](NC(=O)c2ccc(F)c(F)c2)c2ccccc2)cc1 8981985 NMKUFBTUVUFRRL-FQEVSTJZSA-N 353.368 4.493 0 40 FIAB CC(=O)Nc1cccc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 9076951 FUESOAXVDIQPPX-UHFFFAOYSA-N 354.431 4.142 0 40 FIAB O=C(COc1cccc2c1CCC2=O)Nc1cc(Cl)cc(Cl)c1 10197680 PUZNEZPWNBTHKN-UHFFFAOYSA-N 350.201 4.140 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 10360921 GIKCRYXXSSEKCK-UHFFFAOYSA-N 350.462 4.056 0 40 FIAB CC(=O)c1cc(C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)cs1 12325254 VBMMNAJFUBNMMO-UHFFFAOYSA-N 358.850 4.284 0 40 FIAB Cc1cccc([C@@H](Nc2ccc(Br)cc2)P(=O)(O)O)c1 12526544 URVKHGHUVVNAIZ-AWEZNQCLSA-N 356.156 4.046 0 40 FIAB Cc1ccccc1NC(=O)CN(C)Cc1ccccc1N1CCCCC1 12562740 OISRIUKQVCXHSP-UHFFFAOYSA-N 351.494 4.056 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc(Cl)ccc1F 12689315 IMWXXFCJFDALSZ-QFBILLFUSA-N 358.844 4.236 0 40 FIAB CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@H]1CCOc2ccccc21 12758670 VIWFSHKXRNPDPB-IBGZPJMESA-N 360.413 4.052 0 40 FIAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C(C)C)cc2)cc1 12823440 QIXZVGRVPUHUOB-UHFFFAOYSA-N 366.490 4.430 0 40 FIAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 12906394 WDXCNHNJJXLTMS-UHFFFAOYSA-N 374.746 4.101 0 40 FIAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C 13470734 CDVAUIIKOVMKJY-UHFFFAOYSA-N 364.445 4.116 0 40 FIAB CCCCC[C@H](O)/C=C\[C@H]1[C@@H]2CO[C@@H](C2)[C@@H]1C/C=C/CCCC(=O)O 13525260 DJKDIKIDYDXHDD-VNOMACNDSA-N 350.499 4.336 0 40 FIAB Cc1ccc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)cc1C 13698589 HNANZBBVJQZFOY-UHFFFAOYSA-N 367.474 4.008 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)c1 14163116 JVDINNQMKYCGKA-UHFFFAOYSA-N 367.836 4.199 0 40 FIAB COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)c1 14179788 PFRUAMYCGDSENS-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB O=C(Oc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14856844 SMQDQIJAHDWYTE-UHFFFAOYSA-N 354.356 4.249 0 40 FIAB COc1cccc(-c2nc(CN3CCc4ccccc43)cs2)c1OC 15378180 QACOAJGVRALKAN-UHFFFAOYSA-N 352.459 4.390 0 40 FIAB COc1cc(CN[C@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC 17317289 CRKFBMLYCVMKHL-OAHLLOKOSA-N 355.478 4.442 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)c1 20460052 PVUGZZNBVIWBNL-MRXNPFEDSA-N 358.441 4.294 0 40 FIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC(F)F)cc1)NCC2 20507012 SINHLHQOSAWPRQ-LJQANCHMSA-N 363.404 4.321 0 40 FIAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20724934 DZEHTXKEVVKZDA-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB C[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)CCC2)c1ccc(Cl)cc1 22235551 AKWACXIHUOIMJJ-CYBMUJFWSA-N 366.848 4.092 0 40 FIAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)o1 23952127 BWJFMZJPHYUPFC-HUUCEWRRSA-N 359.495 4.317 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 24962323 QKICBBKWPOANFK-IAGOWNOFSA-N 370.518 4.095 0 40 FIAB COc1cc(/C=C/C(=O)N2CCCCC[C@H]2c2cccn2C)cc(OC)c1 25712079 GPDLPOPLCRCTGJ-ZJVMWOEPSA-N 368.477 4.199 0 40 FIAB Cc1ccc(CCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1Cl 27064406 DTXXQEBEDHKMJN-UHFFFAOYSA-N 370.924 4.362 0 40 FIAB O[C@@]1(c2ccc(F)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 27525109 WKFVOYUXQJBDHK-HXUWFJFHSA-N 359.852 4.129 0 40 FIAB COc1ccc(Br)cc1CN(C)[C@H](C)c1nc(C(C)C)no1 27769046 TZFGEWIWSJAHAQ-LLVKDONJSA-N 368.275 4.157 0 40 FIAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccccc1F 28228918 YKUQVKALKDDPKV-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB O=C(Nc1ccc(Br)cc1Cl)c1ccc2nsnc2c1 30948395 ZHRTYVOIENFOAW-UHFFFAOYSA-N 368.643 4.360 0 40 FIAB Cc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccco1)Cc1ccco1 32405823 MRWDZAWBSLKOBL-UHFFFAOYSA-N 365.838 4.226 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(Oc2cnccn2)c1 33137337 BJGSWNVAICQKIO-UHFFFAOYSA-N 372.384 4.485 0 40 FIAB COc1ccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCC2)cc1 35622172 MHENCCGIFCIXEP-UHFFFAOYSA-N 369.856 4.206 0 40 FIAB CCCSc1nnc(NC(=O)c2c(C)noc2-c2ccccc2)s1 35671488 AMFMWRIASFMJKW-UHFFFAOYSA-N 360.464 4.256 0 40 FIAB O=S(=O)(c1ccc(Cl)nc1)N(Cc1ccccc1)c1ccccc1 36139284 OXEOBVQTPOTZIS-UHFFFAOYSA-N 358.850 4.131 0 40 FIAB CCOc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39749517 KFBRHYDASFBVPW-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB CSc1cccc2sc(N3CCN(c4ccccc4O)CC3)nc12 42381291 YQRVRUJXPZFPOR-UHFFFAOYSA-N 357.504 4.050 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44874704 IDFUGNFIYQMCID-LJQANCHMSA-N 366.505 4.065 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1cn(C)c2ccccc12)c1ccsc1 48299811 RRSSGAGWCSJGBG-LJQANCHMSA-N 355.507 4.053 0 40 FIAB CC(C)Oc1ccc(CC[C@H](C)Nc2ncc(C(N)=O)cc2Cl)cc1 48366172 XQJFQPLOYNQVPZ-ZDUSSCGKSA-N 361.873 4.054 0 40 FIAB Cc1sc(NC(=O)C2CC2)c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1C 52835855 GHFCOOJBRSPZSZ-GFCCVEGCSA-N 374.428 4.128 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@@H](C)Sc2nncs2)c2ccccc2)cc1 55006612 MGYZZIMNRUHYOJ-RHSMWYFYSA-N 369.515 4.233 0 40 FIAB Cc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c(C)n1C1CC1 65791085 ZEMJWXFSDILWMR-UHFFFAOYSA-N 357.479 4.304 0 40 FIAB C=Cc1ccc(Cn2c(=O)n(-c3cccc(C)c3)c(=O)c3sccc32)cc1 67258120 LNLYTSOKAOTTRS-UHFFFAOYSA-N 374.465 4.214 0 40 FIAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70639975 UYMUGXUEEPCQGU-INIZCTEOSA-N 369.408 4.037 0 40 FIAB OC1(c2cccnc2F)CCN(Cc2ccc(-c3ccccc3F)o2)CC1 72339997 FTVUPIYQPYAENC-UHFFFAOYSA-N 370.399 4.103 0 40 FIAB Cc1ccccc1Cc1cccc(C2CCN(Cc3cnn(C)c3)CC2)n1 72349971 AMXPFQGCEVSKDV-UHFFFAOYSA-N 360.505 4.094 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 95408092 DZTMCLXCPWOPNP-CTNGQTDRSA-N 370.468 4.297 0 40 FIAB O=C(CSc1nccn1Cc1ccccn1)c1ccc(F)c(Cl)c1 95960418 ASYXIOVVVGNFLW-UHFFFAOYSA-N 361.829 4.094 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1C(=O)NCc1ccccc1 104019859 FXVVVKBMTUCCTA-GBESFXJTSA-N 362.473 4.381 0 40 FIAB CCc1nc([C@@H](C)NC(=O)N(C)Cc2ccccc2N2CCCC2)cs1 111527970 CXBQTRFBDGTYGR-OAHLLOKOSA-N 372.538 4.208 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 118925887 DIZULACWHXKJSM-JCBWCNRASA-N 374.521 4.345 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1cccc(Cl)c1)CC(C)(C)O2 222770766 GLTHKSZZXAPXMF-KRWDZBQOSA-N 359.853 4.446 0 40 FIAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222904551 NMIWFUZGFLUWBE-LSDHHAIUSA-N 351.928 4.425 0 40 FIAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 223196559 JHHOKEPIHPJFHA-UHFFFAOYSA-N 364.489 4.493 0 40 FIAB CCCOCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC 224708355 AEOUXJCQYXJSBX-UHFFFAOYSA-N 370.449 4.223 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)s1 224845704 YIWGABSXXHXALK-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB COc1ccc(OC)c(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225114893 KKKFNFNENWBNCA-IBGZPJMESA-N 358.434 4.076 0 40 FIAB S=C(Nc1ccccc1Cl)NC1CCN(Cc2cccs2)CC1 225229770 LBKIBFCSIWJHNC-UHFFFAOYSA-N 365.955 4.353 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225362472 CTDKIKQVYFWILH-INIZCTEOSA-N 353.462 4.235 0 40 FIAB Cc1ccc(NC(=S)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 225455964 WXOQROPESSWRLU-UHFFFAOYSA-N 352.463 4.182 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N1CCc2cc(-c3ccncc3)ccc21 225639900 CSTURLRDHUZNHB-RVDMUPIBSA-N 362.454 4.112 0 40 FIAB CC(=O)c1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)s1 225675683 FICNWVQQQARSLS-UHFFFAOYSA-N 356.369 4.334 0 40 FIAB CCOC(=O)c1cc(Br)ccc1-c1cc2ccccc2oc1=O 226357516 LNYWGUZHEQJEMW-UHFFFAOYSA-N 373.202 4.399 0 40 FIAB CC[C@@H](C(=O)NC[C@@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399927 KCLRVWGZKVUOLU-YLJYHZDGSA-N 371.527 4.356 0 40 FIAB CC1(C)[C@H](NC(=O)CC2CC2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257304223 SKPFNUXFDAGQQM-XLQGDHTPSA-N 353.506 4.485 0 40 FIAB COc1cccc(Cc2cnc([C@@H]3CCN(Cc4scnc4C)C3)o2)c1 257324002 WMTOMTRORHELOB-MRXNPFEDSA-N 369.490 4.028 0 40 FIAB COc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1C 408802122 DGWCEKRLGXDVHT-UHFFFAOYSA-N 369.466 4.084 0 40 FIAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCC1 408978914 ONYCKQNHLDZTIA-UHFFFAOYSA-N 372.432 4.248 0 40 FIAB COCc1cc(C)nc2sc(C(=O)Nc3cccc(C)c3C)c(N)c12 409063052 GDPHZYZIMTWBAE-UHFFFAOYSA-N 355.463 4.202 0 40 FIAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc[nH]c4C(C)C)C3)[nH]c2c1 671781414 BQRDBMAOMKCMCL-OAHLLOKOSA-N 350.466 4.343 0 40 FIAB C[C@@H]1CN(Cc2nccc(Cl)c2Cl)c2ccccc2N(C)C1=O 1652711914 ZGHSBBYYCOIPTK-LLVKDONJSA-N 350.249 4.008 0 40 FIAB CC1=CC(C)(C)N2C(=O)[C@@](O)(CC(=O)c3cccs3)c3cc(C)cc1c32 1740816382 BPDIFKWDJGTJCH-OAQYLSRUSA-N 367.470 4.059 0 40 FIAB COCCNC(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 2037875290 NQQAPFXTUWUUAL-QHCPKHFHSA-N 367.489 4.123 0 40 FIAB CSc1nnc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)n1C 1391533 MPUYOWNLTVQHET-UHFFFAOYSA-N 356.398 4.346 0 40 FIAB Cc1ccccc1Nc1nnc(-c2ccc(C(N)=O)cc2)c2ccccc12 2294119 CTAHQFXPROQFLM-UHFFFAOYSA-N 354.413 4.448 0 40 FIAB CCc1ccc(OCC(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1 3185665 PUCPQHAVZVSSRM-UHFFFAOYSA-N 360.409 4.464 0 40 FIAB Cc1nc(OCc2cc(=O)oc3cc4c(cc23)CCC4)c2ccccc2n1 3517486 ZGTRGDJESAVBPT-UHFFFAOYSA-N 358.397 4.112 0 40 FIAB CCC[C@@H](C)NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12 3597426 BQTLKGUFPFIXCW-CQSZACIVSA-N 369.490 4.350 0 40 FIAB Cc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)c(C)c1 4089251 FOIHBBUHGARBTD-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(F)c(F)c3)cs2)cc1 4570754 OONGCJUWFSJZQG-UHFFFAOYSA-N 358.413 4.369 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C)c3)o2)cc1 5210522 FAUNTKQCWRJNGI-AWEZNQCLSA-N 353.447 4.473 0 40 FIAB O=C(N[C@H]1CCCc2ccccc21)c1cc(Cl)c2c(c1)OCCCO2 5404731 FOIYGNIOIUMXAP-KRWDZBQOSA-N 357.837 4.309 0 40 FIAB CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3C)o2)c1C 5434746 VMYHOPSVHMJCKI-UHFFFAOYSA-N 355.463 4.458 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1 5478543 FXQMRJFBHQBEGK-UHFFFAOYSA-N 366.490 4.084 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c(OC)c1 5617950 TUIUPWCZDKSIDM-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1ccc(F)c(NC(=O)Cn2ccc3cc(Br)ccc32)c1 6266559 KDHQEIVZGBNUFX-UHFFFAOYSA-N 361.214 4.490 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1coc(-c2cccs2)n1 6880298 VDXWHJPXPDRKAE-UHFFFAOYSA-N 360.744 4.285 0 40 FIAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1Cl 7053791 FCEOQMNIIAPWKU-UHFFFAOYSA-N 374.245 4.109 0 40 FIAB C[C@@H](Nc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(C(N)=O)cc1 7225250 RBXVOSPXXDELEM-CYBMUJFWSA-N 373.412 4.124 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1OCC 7312854 MEOAMAJVUIXDDB-CYBMUJFWSA-N 361.413 4.123 0 40 FIAB CCOc1cc(CN[C@H](CC)CO)ccc1OCc1ccc(Cl)cc1 8337084 HJRYDMAFUMZQJL-GOSISDBHSA-N 363.885 4.178 0 40 FIAB CN1C(=O)c2cc(NC(=O)COc3ccccc3)ccc2Oc2ccccc21 9134422 SDXSXROYZSZJPI-UHFFFAOYSA-N 374.396 4.086 0 40 FIAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 9192486 YYENPENETIUONW-UHFFFAOYSA-N 362.473 4.488 0 40 FIAB O=C1O[C@H](C(=O)Nc2nc3c(ccc4ccccc43)s2)Cc2ccccc21 9313853 RLZABWRMUDVWJD-INIZCTEOSA-N 374.421 4.170 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3)o2)c1 9455365 NRPYFNYAMSLPQQ-CYBMUJFWSA-N 371.437 4.154 0 40 FIAB Cc1cc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)c2ccccc2)no1 9500211 OVVXPORXIVXUNH-QGZVFWFLSA-N 370.792 4.173 0 40 FIAB CCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 10281650 DYQZPPMNWHZQOL-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB CCCCCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10314748 INCTUOLGRAUOJW-UHFFFAOYSA-N 374.506 4.024 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1C 11913882 RSKCPACFHMBORX-UHFFFAOYSA-N 358.344 4.254 0 40 FIAB O=S(=O)(Oc1cc(Cl)ccc1Cl)c1cccc2cccnc12 12042469 HSBOLXCMNJLXRJ-UHFFFAOYSA-N 354.214 4.309 0 40 FIAB COc1cc(C)c(-c2nc(NC(=O)[C@]3(C)CCCO3)sc2C)cc1C 12193759 YCPJKODSJHSWNS-IBGZPJMESA-N 360.479 4.252 0 40 FIAB CCCOc1ccc(S(=O)(=O)NCc2ccccc2)c2ccccc12 12291714 HZROJRGNQRVNHV-UHFFFAOYSA-N 355.459 4.107 0 40 FIAB CSc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc4nccnc4c3)C2)cc1 12409871 VNPPPZOXROELAV-HXUWFJFHSA-N 362.458 4.049 0 40 FIAB Cc1cc(I)ccc1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 12445907 VMSFOQJSTHLYQG-YNEHKIRRSA-N 369.246 4.364 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc2oc(C)nc2c1 12546049 NGRUQOUCEIAAQK-SNVBAGLBSA-N 359.813 4.237 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 12871009 WJVZCEDRJYFZBE-UHFFFAOYSA-N 362.433 4.345 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N[C@H]1CCOc2ccccc21 12926778 CBABLLLAYYLRSB-KRWDZBQOSA-N 366.392 4.053 0 40 FIAB COc1ccc(Br)c(C(=O)NCC2(c3ccccc3)CCC2)c1 12995161 GLLKIGQHYGKKEA-UHFFFAOYSA-N 374.278 4.309 0 40 FIAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1F 13479858 FCWYLIGQZXPTSO-UHFFFAOYSA-N 352.409 4.028 0 40 FIAB O=C(COc1ccccc1)N1CCc2sccc2[C@H]1c1cccs1 14117705 PUYOPNLLWZGCOX-IBGZPJMESA-N 355.484 4.363 0 40 FIAB COc1cc(C2SCCS2)ccc1OCC(=O)NC1CCCCC1 14180553 KIMITUIZOUOAPG-UHFFFAOYSA-N 367.536 4.002 0 40 FIAB COc1ccc2cc(CN(C)Cn3ncn(C4CC4)c3=S)ccc2c1 14183136 KOOZVEKWQYXBRN-UHFFFAOYSA-N 354.479 4.000 0 40 FIAB FC(F)(F)[C@H]1CCCN(Cn2[nH]c(/C=C/c3ccccc3)nc2=S)C1 14238816 XAIRSKALVMZFPJ-VFNNOXKTSA-N 368.428 4.343 0 40 FIAB CCOc1ccccc1CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl 14313443 NJSHXLJILMXTHR-UHFFFAOYSA-N 374.289 4.213 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCCSc1ccccc1 15136743 AZKFTWSDPPRDNG-UHFFFAOYSA-N 351.471 4.373 0 40 FIAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccccc2)CC1 16606939 CLLBNCUUPSQIMP-UHFFFAOYSA-N 370.924 4.301 0 40 FIAB CCCCCOc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 18096416 KWETXVDZUGIKMV-CALCHBBNSA-N 361.482 4.202 0 40 FIAB CC(C)(C)N[C@@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl 19228874 WXPXIYGXSAEIBV-LLVKDONJSA-N 358.096 4.154 0 40 FIAB COc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1Cl 20142265 XSAOCXGMNZVFQN-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC 20458573 IXUGBMCXOZMFOV-KBPBESRZSA-N 357.475 4.162 0 40 FIAB CC(=O)c1c(N(C)CCO)nc2ccc(Cl)cc2c1-c1ccccc1 23042549 SAABOQXOOWIXRW-UHFFFAOYSA-N 354.837 4.186 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccc(-c2nnco2)c1 24737454 OJCJCNUSZZHFCF-UHFFFAOYSA-N 368.443 4.103 0 40 FIAB Cc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)c2cccnc12 24867410 PXAHIGMSGJROBM-UHFFFAOYSA-N 355.401 4.329 0 40 FIAB Cc1nc2ccccc2nc1SCc1nc2sc(C)c(C)c2c(=O)[nH]1 24984444 YEOGXKQTPXBGGP-UHFFFAOYSA-N 368.487 4.145 0 40 FIAB COc1ccccc1[C@]1(CCNC(=O)c2ccco2)CCO[C@@H](C(C)C)C1 27666556 DIOHBOHOMYPYPX-IFMALSPDSA-N 371.477 4.181 0 40 FIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)cc1C 32754081 WZLAVBCQVOQQAF-JXMROGBWSA-N 360.360 4.207 0 40 FIAB CC(=O)c1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)s1 32768575 OIABXOKTUATVQK-UHFFFAOYSA-N 371.458 4.264 0 40 FIAB CCC[C@@H](NC(=O)NCc1ccccc1Cn1cccn1)c1ccccc1 32795017 WUWAJQGHEGYHPQ-OAQYLSRUSA-N 362.477 4.272 0 40 FIAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 35142341 WPOZRAXLPOUEII-RDTXWAMCSA-N 359.853 4.475 0 40 FIAB CCOc1ccccc1OCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 40056983 NJWXAAPYOIWGFB-HNNXBMFYSA-N 353.418 4.430 0 40 FIAB O=C(CCn1ccc2c(Br)cccc21)Nc1cccc(O)c1 40267458 LBXCWGLDAYLIKV-UHFFFAOYSA-N 359.223 4.138 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 44029532 UBSCTRWFBGWXST-ZDUSSCGKSA-N 360.483 4.396 0 40 FIAB CSc1nc(-c2ccco2)nc(C)c1C(=O)OCc1ccc(F)cc1 48234389 UJOFBGSHQGLXOZ-UHFFFAOYSA-N 358.394 4.263 0 40 FIAB Cc1cc2cc(NC(=O)Cc3csc(Cc4ccccn4)n3)ccc2[nH]1 52589057 QBGYWUZIWAVPSK-UHFFFAOYSA-N 362.458 4.100 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1F)C3 55393806 KWUQEDKCTHYPCM-UHFFFAOYSA-N 353.393 4.237 0 40 FIAB Cc1csc(CNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)n1 58210202 CERIDAXYKHAVOS-UHFFFAOYSA-N 354.479 4.022 0 40 FIAB CC[C@@H](C)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 58216797 HCMBVEYARUEYHP-SNVBAGLBSA-N 361.492 4.413 0 40 FIAB CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(Br)cc1 65734953 PJDRSVWUSJGAHJ-UHFFFAOYSA-N 371.662 4.388 0 40 FIAB in-vitro CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 68558770 VKMSVZUXZZJSIO-HXUWFJFHSA-N 369.440 4.047 0 40 FIAB Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 72264323 ITGACARAZPDOLV-UHFFFAOYSA-N 372.440 4.417 0 40 FIAB Cc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nccs1)OCO2 72341751 AFAWVWFYYOYLNJ-HNNXBMFYSA-N 358.488 4.315 0 40 FIAB C[C@H](CCSc1ccccc1)N1CCN(C(=O)c2cccs2)CC1 84637475 WVEQRSAQNJOMEK-MRXNPFEDSA-N 360.548 4.077 0 40 FIAB CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1 85397546 HSOBIIDWISCDKB-UHFFFAOYSA-N 354.431 4.148 0 40 FIAB Nc1c(Cl)cc(NC(=O)[C@@H]2CSc3ccccc3O2)cc1Cl 95393012 JETSUUPOTOXIDA-LBPRGKRZSA-N 355.246 4.067 0 40 FIAB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1)C1=C(O)CCCC1=N2 102678952 QXNDSXPOSUOUBV-INIZCTEOSA-N 356.451 4.070 0 40 FIAB OCCN(Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H]1CCc2ccccc21 114466609 XDQWKQMNZVMTQR-FQEVSTJZSA-N 370.399 4.102 0 40 FIAB O=C(NCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 188942829 GXABFUFMQKOZGD-UHFFFAOYSA-N 360.860 4.008 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1 211077969 VFNVTQSRSFHFEW-GOSISDBHSA-N 355.409 4.022 0 40 FIAB C[C@H](CCc1ccccc1)NC(=S)Nc1cccc(N2CCCC2=O)c1 225516098 SLXCCRPEDOSIIL-MRXNPFEDSA-N 367.518 4.121 0 40 FIAB Cc1ccc(C(=O)N2N=C3[C@H](C)CCC[C@H]3[C@@]2(O)C(F)(F)F)cc1Cl 409173935 PUGPHUAGGSBBGA-NSODJVPESA-N 374.790 4.147 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)n[nH]2)o1 561133197 DDQRQEXFRFNOCV-SQGPQFPESA-N 361.445 4.386 0 40 FIAB c1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)cc1 585105466 XAXFBJOCCQWHRB-QFIPXVFZSA-N 366.505 4.060 0 40 FIAB Cc1csc(-c2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)n1 588126838 MBQIGSSZJSWVFW-UHFFFAOYSA-N 350.403 4.354 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2ccsc2)N1c1cccc(F)c1 1615156871 LDKQKXBHPBQLSQ-OALUTQOASA-N 372.509 4.478 0 40 FIAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCCCC3)C[C@H]2C[C@@H]1OCC1CC1 2332242762 ONXAVQQOVKOGOX-BJESRGMDSA-N 371.569 4.450 0 40 FIAB O=C(O)[C@@H](c1cc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1 2527390 AIRBEPRGMHKPLZ-LJQANCHMSA-N 370.836 4.034 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)c1 2636886 SYEKQZWUPDKMQS-UHFFFAOYSA-N 358.492 4.189 0 40 FIAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(OC)cc1 2720790 GUCOPJPLXVYWDN-UHFFFAOYSA-N 365.458 4.378 0 40 FIAB O=C(COC(=O)CCC1CCCC1)Nc1ccc(SC(F)F)cc1 3271112 PYFSIPNPYSJMGP-UHFFFAOYSA-N 357.422 4.453 0 40 FIAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3275018 TYOHVRCYGHOIPS-UHFFFAOYSA-N 367.232 4.307 0 40 FIAB CCN(CC)c1cccc(OCC(=O)Nc2cc(Cl)ccc2OC)c1 3307016 HPZLHIAKPGUJHC-UHFFFAOYSA-N 362.857 4.212 0 40 FIAB COc1ccc(CNC(=O)CCCSc2nc3ccccc3s2)cc1 3517684 JFTMETJNHOUAKM-UHFFFAOYSA-N 372.515 4.494 0 40 FIAB S=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccccc1 4088078 BQJPGRNUHNEJTD-OAQYLSRUSA-N 361.514 4.010 0 40 FIAB Nc1nnc(SCc2csc(C34CC5CC(CC(C5)C3)C4)n2)s1 4742939 LGLRSRFGBNKWKZ-UHFFFAOYSA-N 364.565 4.337 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1=Cc2ccccc2OC1 5034304 MSVJZJMMUNUPSH-UHFFFAOYSA-N 366.417 4.288 0 40 FIAB CCOC(=O)[C@H]1[C@@H](C(=O)O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1 5326096 IEYXJQVIWCATHW-FUMNGEBKSA-N 352.430 4.228 0 40 FIAB O=C(CCc1nc2ccccc2s1)OCc1nc(-c2cccs2)no1 7159513 YOLLOGBMAWQPEA-UHFFFAOYSA-N 371.443 4.084 0 40 FIAB Cc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 7603864 SLOAFGBOKDZAKP-UHFFFAOYSA-N 360.870 4.225 0 40 FIAB CCc1cccc2c(C3=Nn4cnnc4S[C@H]3c3ccccc3)c[nH]c12 7784560 YADUUPIEVVDREE-IBGZPJMESA-N 359.458 4.421 0 40 FIAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC(C)C 7886117 MPDBDEIMKSWQRV-FQEVSTJZSA-N 352.434 4.211 0 40 FIAB COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c(OC)c1 7996070 SQFDAETWAWUQKS-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COc1ccc(NC(=O)/C=C/c2cc3cccc(OC)c3o2)cc1OC 8707578 AQVFKHXYXRCUJO-CSKARUKUSA-N 353.374 4.111 0 40 FIAB O=C(COc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 11999827 NMXRRJTVIQNGTE-UHFFFAOYSA-N 352.459 4.081 0 40 FIAB CCc1[nH]c2ccc(C(=O)NCc3noc(-c4ccccc4)n3)cc2c1C 12202897 ROPJMUBGPHXQIU-UHFFFAOYSA-N 360.417 4.019 0 40 FIAB COc1ccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c(SC)c1 12322962 DPHQPBOXKDIACP-UHFFFAOYSA-N 356.451 4.110 0 40 FIAB Cc1ccc2nc(C)cc(NC(=O)c3cncc(Br)c3)c2c1 12325009 YSLQDPWFTIFPPK-UHFFFAOYSA-N 356.223 4.261 0 40 FIAB COc1ccc(CN2COc3c(cc(Cl)c4cccnc34)C2)cc1OC 12589208 DPWTUDIFEMZWKB-UHFFFAOYSA-N 370.836 4.258 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(F)c(F)c1 12738485 MJZBWXCVIVIKCA-LLVKDONJSA-N 351.374 4.093 0 40 FIAB COc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1OC(F)F 12756008 AGXOGVPTSPDCNM-UHFFFAOYSA-N 363.360 4.207 0 40 FIAB COC(=O)c1sccc1NC(=O)c1sc(-c2ccccc2)nc1C 12816433 RNQYGMJKUIPVDY-UHFFFAOYSA-N 358.444 4.219 0 40 FIAB Cc1cc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)n(-c2ccccc2)n1 12980872 BJASNTHHTCQTOS-OAHLLOKOSA-N 368.868 4.123 0 40 FIAB CCOc1ccc2nc(S[C@@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)[nH]c2c1 13284321 ZADDICJOSYNTJH-MJBXVCDLSA-N 361.511 4.232 0 40 FIAB Cc1nnc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1 13597939 JQGVKCPECJKJFX-UHFFFAOYSA-N 372.500 4.104 0 40 FIAB COc1ccc(NC(=O)CCSc2ccc(F)c(F)c2)cc1OC 14095823 MZHONGITKZCRAY-UHFFFAOYSA-N 353.390 4.103 0 40 FIAB CCN1CCc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 15880167 UARNLZACTXDZSL-UHFFFAOYSA-N 356.278 4.080 0 40 FIAB C=CCc1cccc2c1O[C@@H]1CCCC(=O)[C@@H]1[C@H]2C1=C(O)CCCC1=O 17466683 VCRRYSIVQDRCIM-SBHAEUEKSA-N 352.430 4.194 0 40 FIAB COc1nc2cc(C)ccc2cc1CN(C)Cc1nnc(-c2ccccc2)o1 19234256 DXNIAVWUHPNQJR-UHFFFAOYSA-N 374.444 4.234 0 40 FIAB Cc1cccc(CN2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)n1 19236340 XHTUHTMFLQJXRT-UHFFFAOYSA-N 365.521 4.028 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1C 20048497 WCOKJOWBDKPYLA-FQEVSTJZSA-N 373.518 4.211 0 40 FIAB O=C(C[C@H]1C=CCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21898667 AEAPZUBACFVDMU-FQEVSTJZSA-N 360.501 4.277 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NCc1ccc(-n2ccnc2)cc1 22524297 XBWAXMJEILUTOI-UHFFFAOYSA-N 371.893 4.324 0 40 FIAB S=c1scnn1CN1CCc2sccc2[C@@H]1c1cccs1 24574732 RMINZXMBPJTNPD-CYBMUJFWSA-N 351.547 4.402 0 40 FIAB O=C(CN(Cc1ccco1)C1CC1)N(Cc1ccccc1)c1ccccc1 26928775 RXLXJYDFEHUDKV-UHFFFAOYSA-N 360.457 4.477 0 40 FIAB CCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 27581755 WXTBONVWSNSMJM-OAQYLSRUSA-N 366.505 4.351 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(NC(=O)C2CC2)c1 29168845 VRBTUOWTAMBUMR-UHFFFAOYSA-N 374.444 4.090 0 40 FIAB N#Cc1ccccc1COC(=O)c1ccc(NC(=O)c2ccccc2)cc1 30818090 LDERUPHGEUZVIF-UHFFFAOYSA-N 356.381 4.168 0 40 FIAB CC(C)c1nc(CSc2nnnn2-c2cccc(Cl)c2)cs1 31652389 YFLXIVROBQFAQO-UHFFFAOYSA-N 351.888 4.188 0 40 FIAB CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc2oc(=O)ccc2c1 32755327 RLMGOJZSXXSYNS-CYBMUJFWSA-N 358.415 4.074 0 40 FIAB O=C(Nc1cccc(-n2cnnc2)c1)c1ccccc1Nc1ccccc1 33201151 OYCKSSKYZXYDSX-UHFFFAOYSA-N 355.401 4.263 0 40 FIAB Cc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)C[C@@H]2C)c1 34794977 DEDOCLGRRSQFCV-SFHVURJKSA-N 361.489 4.178 0 40 FIAB O=C(NCc1cccnc1)c1cc2occc2n1Cc1ccccc1Cl 35475383 WJNSDERZIDNVFD-UHFFFAOYSA-N 365.820 4.261 0 40 FIAB C[C@@H]1CC=CC[C@@H]1COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 36397241 LIOACNNRSKTPMZ-HZPDHXFCSA-N 374.458 4.013 0 40 FIAB CN(Cc1cc(Br)cs1)C(=O)Cc1c[nH]c2ccccc12 37506010 AJLFNVWZJSPDTB-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB COc1ccc(-c2noc(CN(Cc3ccccc3)C(C)C)n2)cc1OC 39532761 HBQZIMIHLYPUKH-UHFFFAOYSA-N 367.449 4.164 0 40 FIAB Cc1ccc(-c2csc(NCCCC(=O)NCc3cccnc3)n2)s1 40122798 MSTGCMYURXNMCH-UHFFFAOYSA-N 372.519 4.084 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)nc1 40145916 ZETYDQPPGCFESK-HXUWFJFHSA-N 373.456 4.034 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1OCC 40151824 SFTRPHVUAVLNCD-UHFFFAOYSA-N 352.390 4.391 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)CCSCc2ccccn2)cc1 40152788 RXEZBBZPSFNVHZ-LJQANCHMSA-N 356.491 4.077 0 40 FIAB COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC(F)F 47892288 FVRSGRKLPZEDBE-MNOVXSKESA-N 367.314 4.148 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1ccsc1 48235291 YXODWGDGJZNPQL-INIZCTEOSA-N 372.519 4.296 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCc1ccc(Cl)c(Cl)c1 49272427 IDEPQUYHJPGLLV-OAHLLOKOSA-N 370.232 4.084 0 40 FIAB COc1ccc([C@@H](NCc2nc3cc(Cl)ccc3c(=O)[nH]2)C(C)C)cc1 49609476 FAXMDQBHQJXIMU-IBGZPJMESA-N 371.868 4.072 0 40 FIAB COc1ccc(CN(Cc2ccccc2)C(=O)Nc2nnc(C)s2)cc1 58066840 IADNMTOGRPPRMT-UHFFFAOYSA-N 368.462 4.089 0 40 FIAB CCCC(=O)Nc1cccc(NCc2nc(Cc3ccccc3)no2)c1C 58182073 QFHIVYRFFPODRQ-UHFFFAOYSA-N 364.449 4.320 0 40 FIAB O=C(NO[C@@H]1CCCCO1)c1sc(-c2ccco2)nc1-c1ccccc1 60333195 IYVZRYYZNTYZBO-OAHLLOKOSA-N 370.430 4.258 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C=O)C1CCCCC1 72215729 YQCLMDLTMHOEII-SFHVURJKSA-N 373.497 4.449 0 40 FIAB O=C(CCn1ccc2c(Cl)cccc21)N1CCO[C@H](c2ccccc2)C1 72403452 LPTWECBHOMIMTM-FQEVSTJZSA-N 368.864 4.285 0 40 FIAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(Oc2ccccc2)cc1 90611490 BZQCQOMETVKWHD-DEOSSOPVSA-N 373.452 4.129 0 40 FIAB Cc1ncc(CO)c(CNc2cccc(SCC3CCCC3)c2)c1O 95469320 UWRBCBKQXLSGAB-UHFFFAOYSA-N 358.507 4.482 0 40 FIAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(C(F)(F)F)cc2)CC1 98213849 IUWAHJWWMJPTOO-UHFFFAOYSA-N 372.431 4.224 0 40 FIAB CCN1C(=O)/C(=N/Nc2c(Cl)cc(Cl)cc2Cl)SC1=S 103469237 MSNNCNBTZQJAFU-SXGWCWSVSA-N 368.698 4.252 0 40 FIAB CCc1nccn1[C@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 106215230 IRFDRUOADCMMTR-RDJZCZTQSA-N 374.916 4.071 0 40 FIAB C[C@@H]1CCCCN1CC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 108935712 HQMFJRSRTMDNBB-XLIONFOSSA-N 350.462 4.028 0 40 FIAB FC(F)(F)Oc1ccc(I)cc1C(F)(F)F 169796860 YQCOYGRUVDSUQH-UHFFFAOYSA-N 356.003 4.209 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655531 NCJPBPRERQUMRI-CYBMUJFWSA-N 374.847 4.002 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccc3c(c1)OCO3)CC(C)(C)O2 222653546 VEYAZUGOAPBVTB-QGZVFWFLSA-N 367.445 4.075 0 40 FIAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1C 223445340 VUNNMFAIIVOZQY-OAHLLOKOSA-N 351.899 4.446 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CCc3ccccc3Cl)ccc21 225114399 IEBYKZHASBLOOM-UHFFFAOYSA-N 360.866 4.308 0 40 FIAB Cc1ccc(/C=C/S(=O)(=O)NCc2cccnc2-c2cccs2)cc1 225762969 ZVELDJBODKNGNS-JLHYYAGUSA-N 370.499 4.209 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257205171 AXXUAYPAYHIVOC-SFHVURJKSA-N 366.505 4.223 0 40 FIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1 408709780 WZEJMWZVZICHHB-UHFFFAOYSA-N 352.478 4.362 0 40 FIAB CC(C)Sc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408750518 OHJMISSUPTXYNI-DPDCMNJDSA-N 370.499 4.108 0 40 FIAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O 408823280 NOMGTYYEDCWIGZ-ZROIWOOFSA-N 361.806 4.295 0 40 FIAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCCCC[C@H]1c1ccco1 605645842 PWMSQGDSOZEIHU-SFHVURJKSA-N 366.465 4.016 0 40 FIAB COc1ccc(CCNC(=O)NCc2cc(-c3ccoc3)cs2)cc1 1775969511 AOSOFLBPFDTEGG-UHFFFAOYSA-N 356.447 4.059 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)s1 673242 PPDHMXPILDEXEQ-VIFPVBQESA-N 357.888 4.018 0 40 FIAB CC(C)OC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 721046 JUYRXCRUTYDXOA-UHFFFAOYSA-N 367.302 4.119 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(CCc4ccccc4)c(=O)c23)C1 1321087 PKDFYNONGOSGJV-OAHLLOKOSA-N 367.518 4.247 0 40 FIAB Fc1cccc(Cl)c1COc1ccc(-c2ccnc3ncnn23)cc1 1383627 XUELCGMNUUIWPF-UHFFFAOYSA-N 354.772 4.163 0 40 FIAB O=C(Nc1nc(-c2ccccc2)ns1)c1cccc(Br)c1 2889449 WLMHTUCWYGMQQV-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB COc1ccc([C@H]2N(c3cccc(C(F)(F)F)c3)C(=O)C2(F)F)cc1 3188516 YAUNSBWZGXWFLB-CQSZACIVSA-N 357.278 4.437 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(F)(F)F 3217273 DKKLPVRPFPHQSH-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)c1ccc(F)c(F)c1 3285863 BAUHTEWCMFHQEV-QMMMGPOBSA-N 352.387 4.440 0 40 FIAB Cc1nc2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2s1 3352461 FAIGGWUMFDOUPH-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)ns1 4167348 AFPVUTJZSYPEBI-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB Cc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1C1CCCCC1 4492686 ZQCMJDLLTJUTSC-LBPRGKRZSA-N 369.494 4.182 0 40 FIAB COc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 4504167 OLTHKBQUYQYOHV-GOSISDBHSA-N 361.869 4.196 0 40 FIAB COc1cccc2c1CC[C@H]1[C@@H]2CC[C@@]2(OC(C)=O)CC(=O)CC[C@@]12C 4532266 JVKYKDNHRIEHDG-QTPAZIJBSA-N 356.462 4.196 0 40 FIAB CCc1ccc2nc(N3CCN(C(=O)c4cccc(C)c4)CC3)sc2c1 5180960 UMIOIOMJDALMTF-UHFFFAOYSA-N 365.502 4.130 0 40 FIAB CCCC(=O)N(Cc1ccccn1)c1nc2ccc(OCC)cc2s1 5265156 KMZRYOVFQVOACB-UHFFFAOYSA-N 355.463 4.423 0 40 FIAB CCCC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 5545825 HYJNNOZJKMBVBE-UHFFFAOYSA-N 355.869 4.197 0 40 FIAB COc1ccc2nc(NC(=O)COc3ccccc3C(C)C)sc2c1 5644749 HGGIMFZXLAINQF-UHFFFAOYSA-N 356.447 4.446 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)c1cc2ccccc2o1 6270034 HGCIQFOCKSAGPO-VAWYXSNFSA-N 357.365 4.420 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 6456599 ILNWICHMCNUMQY-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB Nn1cc(-c2ccccc2)nc1SCc1cc(-c2cccs2)on1 7318516 BUDZLMFXIDCHFL-UHFFFAOYSA-N 354.460 4.273 0 40 FIAB CCSc1nnc(NC(=O)c2sc(-c3ccsc3)nc2C)s1 7435542 RCZDBNOBJKJSJM-UHFFFAOYSA-N 368.534 4.396 0 40 FIAB CCCc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1CC 7605471 AHYFCPZRZOHZME-UHFFFAOYSA-N 372.416 4.000 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(C)cc2C)CC1=O 7928176 JGMMHUGVWAKRMV-IBGZPJMESA-N 364.489 4.420 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc3c(c2)CCC3)no1 8429787 PIODWOHZQZEGFN-UHFFFAOYSA-N 365.458 4.411 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)cc1 8517778 IVQVJMLADSSSKJ-FQEVSTJZSA-N 355.459 4.278 0 40 FIAB COc1ccc(CC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 8586828 KUGBTKNXOYGPOG-CQSZACIVSA-N 358.507 4.484 0 40 FIAB CCOc1ncccc1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 8762667 NWYBVDCCCANHTF-QGZVFWFLSA-N 370.499 4.391 0 40 FIAB C[C@@H](Sc1ncnc2ccsc12)C(=O)Nc1c(F)cccc1F 8940213 QCXNESQEOZJCPJ-MRVPVSSYSA-N 351.403 4.089 0 40 FIAB O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@H]1CCc2ccccc21 9112812 JPYGQEWXQOKSID-SFHVURJKSA-N 352.434 4.295 0 40 FIAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)CC(C)C)c(=O)[nH]c2c1 9235511 IBGZPTGLISSXPV-UHFFFAOYSA-N 352.434 4.004 0 40 FIAB CC(=O)c1ccc(Nc2nc3sc(C)c(C)c3c3nc(C)nn23)cc1 9420928 LHCUQHJAGBYZJR-UHFFFAOYSA-N 351.435 4.210 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 10458398 PBAPKZSUKRQIKZ-UHFFFAOYSA-N 358.869 4.441 0 40 FIAB COc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1OC 12113802 KVWVMRSDGFHLDX-UHFFFAOYSA-N 352.438 4.158 0 40 FIAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 12553824 UOFVEGZDQKZFPV-INIZCTEOSA-N 367.449 4.237 0 40 FIAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccn(C)n1 12852047 RWHVPAKMEZITOK-CQSZACIVSA-N 374.794 4.168 0 40 FIAB c1cc(CCNc2ncc(-c3ccsc3)c(-c3nccs3)n2)ccn1 13268204 MNCIIYPJFTXJGF-UHFFFAOYSA-N 365.487 4.378 0 40 FIAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)OCC)cc2)c1C 14405364 RYOVEPXZRZKRBD-UHFFFAOYSA-N 358.442 4.121 0 40 FIAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(F)c(Cl)c1 15838892 LDZXGEPXAGKIGY-UHFFFAOYSA-N 372.827 4.371 0 40 FIAB COc1ccc(NC(=S)N(C[C@@H]2CCCO2)C[C@H]2CC=CCC2)cc1 15931829 JRMNNAIPYUHFSF-LPHOPBHVSA-N 360.523 4.229 0 40 FIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1cccc(Br)c1 19935004 IUHGZVPWRFSVQY-LLVKDONJSA-N 368.658 4.359 0 40 FIAB CCc1sc(C(=O)N(CC)Cc2ccncc2)cc1Br 20191195 UMHOUTQEBUUVTC-UHFFFAOYSA-N 353.285 4.130 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 20461842 YFIKDPPUJMZJQX-IBGZPJMESA-N 368.477 4.239 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)c1C 20488030 RLBGHJNRIMBERQ-IBGZPJMESA-N 355.434 4.276 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(NC(C)(C)C)s2)cc1F 21762619 UARQVFDDMSJHRG-JTQLQIEISA-N 368.503 4.315 0 40 FIAB O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1CCc1ccncc1 22187114 TXQYIWBOCJHLFD-UHFFFAOYSA-N 367.861 4.416 0 40 FIAB Cc1ccc(Nc2nnc(S[C@@H]3CCCCNC3=O)s2)cc1Cl 22202531 VZUHKICTWTVUEU-GFCCVEGCSA-N 368.915 4.004 0 40 FIAB C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)CCC2)c1ccc(Cl)cc1 22235554 AKWACXIHUOIMJJ-ZDUSSCGKSA-N 366.848 4.092 0 40 FIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(F)cc1Cl 22289517 FLNKQEPPTSSOIH-UHFFFAOYSA-N 353.850 4.174 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 22531333 ZIENXMBRKUFOLC-INIZCTEOSA-N 355.434 4.195 0 40 FIAB O=C(NCCCOc1ccccc1)c1occc1COc1ccccc1 23040965 VZYDWBBBBHSNDG-UHFFFAOYSA-N 351.402 4.058 0 40 FIAB Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)s1 24931216 DZYGCLWMQZRWKH-KRWDZBQOSA-N 351.475 4.109 0 40 FIAB COc1ccc(CCC(=O)NCCc2ccc(C(C)C)cc2)cc1OC 25154246 JRKFKPFWTNBQNW-UHFFFAOYSA-N 355.478 4.119 0 40 FIAB Cc1ccc(NC(=O)CSCc2nc(-c3cccs3)no2)c(C)c1 32778880 JJLYMPGIORDPOE-UHFFFAOYSA-N 359.476 4.287 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cnc(-c2ccccc2)nc1 32844989 ORTQBXVPIUKTIY-ZDUSSCGKSA-N 353.809 4.203 0 40 FIAB C[C@@H](NC(=O)Cc1csc(COc2ccccc2)n1)c1ccccc1 33326145 MPFKMNVHHLFJNK-OAHLLOKOSA-N 352.459 4.142 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)N1CCO[C@@H](c2ccccc2)C1 38677293 VRJNCWZPQBXFPX-MRXNPFEDSA-N 350.340 4.311 0 40 FIAB CC1CCN([C@@H](CNC(=O)c2occc2-c2ccccc2)C(C)C)CC1 40089260 OBPNLQIODUNFAD-FQEVSTJZSA-N 354.494 4.433 0 40 FIAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(/C=C/c3ccccc3)c12 40388565 MALZHSWMQOGCDD-ZHACJKMWSA-N 366.424 4.183 0 40 FIAB COc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c1OC(F)F 42671520 LCQOZASUFKKOEW-VIFPVBQESA-N 357.303 4.066 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57413616 LSMRNNCISDHWDR-GFCCVEGCSA-N 355.825 4.230 0 40 FIAB CCN(c1ccc(C(=O)Nc2ccc(OCCOC)cc2)cc1)C(C)C 58102861 JNPKFQAHYKZEEP-UHFFFAOYSA-N 356.466 4.199 0 40 FIAB O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCCc2cc(F)c(F)cc21 58332123 RLMPURRGPYVGMW-SFHVURJKSA-N 370.443 4.156 0 40 FIAB COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)ccc1Cl 58356337 WAHNZEJTOUFOHO-UHFFFAOYSA-N 367.854 4.051 0 40 FIAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)C12CCCCC2 71282553 HXDUNAHGYCHXAT-IBGZPJMESA-N 354.494 4.008 0 40 FIAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCCC2 72303671 XJJFCYJASQTDIW-SFHVURJKSA-N 368.546 4.221 0 40 FIAB O=C(NCc1ccc(F)cc1Cl)c1cn[nH]c1-c1ccc(Cl)cc1 72328901 PHOMMPIBQJBNMH-UHFFFAOYSA-N 364.207 4.453 0 40 FIAB c1cnc(Nc2cccc([C@@H]3CCCN(CC4CCCCC4)C3)n2)nc1 72376013 LTTOKXJSKYAUDR-GOSISDBHSA-N 351.498 4.375 0 40 FIAB C[C@@H]1CN(C(=O)c2ccc(CSc3nccn3C)o2)c2ccccc21 77216231 GMKMQWYZQCFGIP-CYBMUJFWSA-N 353.447 4.069 0 40 FIAB C[C@H](C(=O)N(C)Cc1ccccc1)[S@](=O)Cc1ccc(C(C)(C)C)cc1 78530199 NGFJKNJAIBOYJK-QUGAMOGWSA-N 371.546 4.280 0 40 FIAB CCn1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N=C2O)c2ccccc21 83260343 CJHIDPIDHYYPQK-PDGQHHTCSA-N 373.412 4.476 0 40 FIAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)COCC(F)(F)F 84810942 JCOYFPRXPMXQKU-LBPRGKRZSA-N 359.388 4.283 0 40 FIAB CC1(C)O[C@@H]2[C@H](O1)[C@H]1C[C@@H]2[C@@H]2[C@@H]1[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104330438 IZPNWEIGSKDHKD-LLEOETHWSA-N 370.103 4.450 0 40 FIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccccc2F)cc1 216283812 GGPRKDTZBVGUTI-LJQANCHMSA-N 365.470 4.041 0 40 FIAB CSc1cccc(NC(=O)COc2ccc(Br)c(C)c2)c1 218822854 PRGASAUMHIFTFZ-UHFFFAOYSA-N 366.280 4.497 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 219029342 HXADGQVQRJGSKP-ROUUACIJSA-N 363.457 4.499 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219324138 MBHWWEDQDBHETJ-BEFAXECRSA-N 361.869 4.390 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 219544517 DZIBPMVWCPYALS-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222735159 SATYYRXPCKGWBG-FUHWJXTLSA-N 369.461 4.109 0 40 FIAB COc1ccc(CSCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 223930801 KLHWFNBOJONBNQ-UHFFFAOYSA-N 371.487 4.086 0 40 FIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1c(F)cccc1Cl 224282978 GMEZYSNGYMNEOG-UHFFFAOYSA-N 361.735 4.453 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(C)cc1C)CC(C)(C)O2 224663443 LJMKPUBUKXGNBE-LJQANCHMSA-N 353.462 4.273 0 40 FIAB CCOCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OCC 224697565 WXFHEHZEJRVZPR-UHFFFAOYSA-N 371.433 4.051 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc(Cl)c2)no1 225810141 XHNWWCWUAIHUDV-ZDUSSCGKSA-N 367.836 4.300 0 40 FIAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NC2CCCCC2)n1 226009490 HYLWBRYQRLBBIS-LBPRGKRZSA-N 367.950 4.128 0 40 FIAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2cccc(C)c2)c1 226356706 PRVONVHBSMLPSV-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1nc(-c2cccs2)cs1 390828471 BESLIGHLXVAQQM-UHFFFAOYSA-N 367.455 4.457 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1CC 408562387 PHFQIPCTZLPYSW-UHFFFAOYSA-N 352.891 4.025 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)c1C 408707803 MBBOGDDLVYHLML-VIQWUECVSA-N 370.537 4.377 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)c(OC)c1OC 409411842 LZGZBBFCWSQUIC-ACCUITESSA-N 355.434 4.488 0 40 FIAB CN(C)C(=O)c1cnc(N2CCc3ccc(C(C)(C)C)cc3C2)c(Cl)c1 511894682 DACGXCDWCHNLFJ-UHFFFAOYSA-N 371.912 4.297 0 40 FIAB COC[C@@H](NC(=O)Nc1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1 580340154 FSOHFFPHSNVBJE-CYBMUJFWSA-N 373.762 4.263 0 40 FIAB Cc1cc(C)c2c(C(=O)N3CCCC[C@@H]3CCN)cc(C3CC3)nc2c1 585089995 HVRXPEBHWYUARU-QGZVFWFLSA-N 351.494 4.073 0 40 FIAB COc1ccc(CCNC(=O)NC[C@@H](c2ccco2)c2cccs2)cc1 585146806 SKJMJKUIRAQENW-KRWDZBQOSA-N 370.474 4.024 0 40 FIAB C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](n2ccnn2)CC1 639816303 DJFFQFZGCZFPLB-PBHICJAKSA-N 371.872 4.375 0 40 FIAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C(=O)N[C@@H](C(=O)O)C(C)C 670417850 VCESOIPCXQDTOT-LZGZYFLISA-N 369.505 4.302 0 40 FIAB O=S(=O)(c1ccccc1C(F)(F)F)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 675007899 ANIJBMBUQCDSEP-KBPBESRZSA-N 357.397 4.111 0 40 FIAB CN1C(=O)Cc2cc(-c3csc(Nc4ccc(Cl)nc4)n3)ccc21 726976681 UNFNWYPNRZQCCM-UHFFFAOYSA-N 356.838 4.121 0 40 FIAB CC(C)CC1=NN(c2nc(-c3ccccn3)cs2)[C@](O)(C(F)(F)F)C1 1415178 JTETULSTUJUTRH-OAHLLOKOSA-N 370.400 4.068 0 40 FIAB O=c1c2c(nc(SCc3ccccc3F)n1-c1ccccc1)CCS2 2719716 JUCHHJWYPGKQOW-UHFFFAOYSA-N 370.474 4.312 0 40 FIAB CCN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 3275609 NLKSQNGERNIKJO-UHFFFAOYSA-N 373.452 4.415 0 40 FIAB Cc1ccc([C@@]2(CC(=O)NCc3ccco3)CCO[C@H](C(C)C)C2)cc1 4042817 GKUGLSVBBRHENY-UNMCSNQZSA-N 355.478 4.367 0 40 FIAB biogenic COc1ccc(C2=Nc3ccc(C)cc3C(c3ccc(OC)cc3)=NN2)cc1 4129763 OINYUYIWIBVQRK-UHFFFAOYSA-N 371.440 4.446 0 40 FIAB COc1ccc(-c2cc3ccc(OC(=O)C(C)C)cc3oc2=O)cc1OC 4340132 GPPSUKACXUJUCX-UHFFFAOYSA-N 368.385 4.039 0 40 FIAB biogenic CCCN1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4554672 JDPFSVSJZLGSKD-QHCPKHFHSA-N 359.425 4.057 0 40 FIAB Cc1cc(NC(=O)Cc2cccc3ccccc23)ccc1N1CCCC1=O 5440054 PPTOWTOWLBMEDZ-UHFFFAOYSA-N 358.441 4.456 0 40 FIAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(C)(C)C 6551411 UBCYCUPQAMMGIJ-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB COc1ccc(Cl)cc1NS(=O)(=O)c1c(Cl)cccc1Cl 6887185 RSTWXPJPNMOCHI-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB Cc1ccc2cc(COC(=O)[C@@H]3COc4ccccc4O3)c(Cl)nc2c1 6948360 JOXATRFBVCQTIU-SFHVURJKSA-N 369.804 4.080 0 40 FIAB COc1ccccc1CCC(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7467908 VJFKTSVWSSTHQS-UHFFFAOYSA-N 372.808 4.075 0 40 FIAB O=C(O)/C(=C/c1cccc(O)c1)Sc1nnc(-c2ccc(Cl)cc2)o1 7603204 YEZPCXSZQNWCFL-ZROIWOOFSA-N 374.805 4.313 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 7750600 AJTJKPGUJRZCLI-UHFFFAOYSA-N 360.413 4.400 0 40 FIAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1Cc1ccccc1 8075282 ODAHZXRFTQAGOC-UHFFFAOYSA-N 371.436 4.024 0 40 FIAB O=C(NCCCSc1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1 8076071 NEDWGVYIIYQXFF-LJQANCHMSA-N 371.502 4.157 0 40 FIAB Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1C 8118076 MNIPSQFMILAUCE-SFHVURJKSA-N 353.853 4.210 0 40 FIAB CN(CC(=O)NCc1cccc(Cl)c1)Cc1ccc2ccccc2c1 8127619 WSNZDPKQRWIXKA-UHFFFAOYSA-N 352.865 4.241 0 40 FIAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C 8297914 NBMRICNUJBTFER-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nccs2)cc1)c1ccccc1 8324037 REIZQOMIIDTEHO-SFHVURJKSA-N 365.458 4.016 0 40 FIAB CC(C)[C@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2[nH]1 8395799 DNYJMYAZFLYKMW-INIZCTEOSA-N 371.824 4.072 0 40 FIAB Cc1cc(=O)[nH]c2c(C)cc(Cc3cc(C)c4[nH]c(=O)cc(C)c4c3)cc12 8649482 CCVCKGMXTBQLTP-UHFFFAOYSA-N 358.441 4.194 0 40 FIAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(Br)cc1F 8747069 PMMQQBNFZJMEND-VIFPVBQESA-N 355.232 4.103 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1ccc2c(c1)OCO2 10228485 UAUHQRHPAPVOGW-UHFFFAOYSA-N 368.820 4.198 0 40 FIAB O=S(=O)(Nc1ccccc1-c1cccs1)c1ccc(F)c(F)c1 10512204 XXVOWHCFTGGUFD-UHFFFAOYSA-N 351.399 4.494 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 10684117 PVPMPZIHAHSORM-AWEZNQCLSA-N 374.868 4.194 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)cc1 11607942 OHALSEBCLOXJDK-LLVKDONJSA-N 353.390 4.416 0 40 FIAB Cc1cccn2cc(Cn3cnc4scc(-c5ccccc5)c4c3=O)nc12 12506468 CKUXSZBGHWNFTA-UHFFFAOYSA-N 372.453 4.129 0 40 FIAB O=C(Nc1ccccc1C(=O)NCCc1cccs1)c1ccsc1 12923295 OIJOMGYOKYLOCU-UHFFFAOYSA-N 356.472 4.034 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 13123797 GYZYDVPKNFGKKC-ZDUSSCGKSA-N 370.478 4.101 0 40 FIAB COc1ccc(CCN(C)C(=O)c2oc3ccccc3c2C)cc1OC 14139477 GPHXLFUEFGYOFQ-UHFFFAOYSA-N 353.418 4.073 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C 14214590 LEWSIRSXQXCKSZ-MRXNPFEDSA-N 358.441 4.294 0 40 FIAB C[C@H]1c2cccn2CCN1Cc1ccc(CN2CCn3cccc3[C@H]2C)cc1 15415648 APEIFEBSZIHGDM-BGYRXZFFSA-N 374.532 4.443 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2C)cc1 15540572 AMZZRVHKJFEXMF-GOSISDBHSA-N 359.853 4.400 0 40 FIAB O=C(CSc1nccn1Cc1ccccc1Cl)Nc1ccccc1 15825433 IEGVPOWOQGWEON-UHFFFAOYSA-N 357.866 4.316 0 40 FIAB O=C(Cc1scnc1-c1cccs1)NCCc1ccc(Cl)cc1 15840276 MWHAUQBRYJYALL-UHFFFAOYSA-N 362.907 4.426 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N2CCC(C)CC2)o1 15860322 IKSKEGOPXQCTIU-GOSISDBHSA-N 360.885 4.444 0 40 FIAB CCCC(=O)N1N=C(c2ccccc2)Sc2c1nc(C)n2C(=O)CCC 16777577 MUDJTAACJDOYLC-UHFFFAOYSA-N 370.478 4.232 0 40 FIAB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)N1CCCC1 18063410 DQADKZICLLQRTM-LDADJPATSA-N 366.848 4.448 0 40 FIAB CC(C)c1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 19453204 AGVJEDBOGNRJGP-UHFFFAOYSA-N 363.465 4.030 0 40 FIAB COc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1OC1CCCC1 20744857 BYYDCGFNDJMGOG-QGZVFWFLSA-N 359.451 4.164 0 40 FIAB Cc1ccc(C(=O)C2CCN(Cn3nc(C(C)C)[nH]c3=S)CC2)c(C)c1 25487725 FKFXSCWIOSYEDC-UHFFFAOYSA-N 372.538 4.233 0 40 FIAB Cn1c(SCc2ccccc2C(F)(F)F)nc2ccsc2c1=O 26107004 GLJNDMMJVBIWSJ-UHFFFAOYSA-N 356.394 4.306 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(C)cc1 30865648 RUJGZJHAXUXWOI-IBGZPJMESA-N 361.482 4.341 0 40 FIAB COc1ccc(OC)c(CCC(=O)Nc2nc3c(s2)CCCCC3)c1 30937288 UZUAVXYQKIYOHU-UHFFFAOYSA-N 360.479 4.001 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3cnccc3o2)c(O)c1 32103202 GOEZUAFIJFZGQR-RMKNXTFCSA-N 357.369 4.247 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817233 JYTZTKDXMWBKTJ-UHFFFAOYSA-N 361.323 4.152 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccccn2)c1 32893115 NDPKVERFVVJSFM-QGZVFWFLSA-N 373.456 4.444 0 40 FIAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)c1 33063651 IYRJOFJACYZFBZ-UHFFFAOYSA-N 366.486 4.325 0 40 FIAB CN(c1cccc(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 33613846 JWUKLKLJQOQYAY-UHFFFAOYSA-N 350.654 4.472 0 40 FIAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3)C2=O)cc1 33921340 AIIUVJOFTBUVPU-ATVHPVEESA-N 354.431 4.191 0 40 FIAB COCc1cccc(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1 36392938 YZTATDDHOVAVOV-UHFFFAOYSA-N 371.477 4.197 0 40 FIAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@@H](C(F)(F)F)C1 40087387 BLCUOSLLIJXHAN-LLVKDONJSA-N 358.747 4.410 0 40 FIAB Cc1ccccc1CNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 44838957 RMRVSCFCVYSNMI-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB COc1ccc(CNC(=O)CN[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 57383319 ZFWYNXFALQQWRS-SFHVURJKSA-N 374.484 4.329 0 40 FIAB CCCCOc1ccc(NC(=O)NC[C@@](C)(O)CCc2ccccc2)cc1 62021545 CICFBNZJOXIZGE-QFIPXVFZSA-N 370.493 4.371 0 40 FIAB C[C@@H]1CN(CC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 72308828 ZILRSSYPLXJXMK-ACJLOTCBSA-N 359.267 4.081 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1 72331053 IDXNTCHWEILDPX-UHFFFAOYSA-N 359.853 4.407 0 40 FIAB CCOC(=O)c1cc(N)cc2nc(-c3ccc(Br)cc3)oc12 73641766 VTDYZXBVCJUEEC-UHFFFAOYSA-N 361.195 4.016 0 40 FIAB O=C(C1CCN([C@H]2CCc3c(F)ccc(F)c32)CC1)N1CCCCCC1 84358664 DLZMITJDEXLPDH-IBGZPJMESA-N 362.464 4.067 0 40 FIAB C[C@@H](CCSc1ccccc1)N1CCN(C(=O)c2cccs2)CC1 84637473 WVEQRSAQNJOMEK-INIZCTEOSA-N 360.548 4.077 0 40 FIAB COc1ccc([C@@H](Cc2ccc(F)cc2)Nc2cc(Cl)nc(N)n2)cc1 89438886 PCOGBRBLTOEKAA-MRXNPFEDSA-N 372.831 4.256 0 40 FIAB Cc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]2CC(=O)O 91302773 DJBYYBPDMALLJK-HNNXBMFYSA-N 359.466 4.226 0 40 FIAB in-vitro CC(C)(C)Oc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O)cc1 95633960 XWZSIOQKVCEKBY-UHFFFAOYSA-N 372.261 4.037 0 40 FIAB CSc1ccc([C@@H](O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1 96103315 SZDHXHBEGLUMJK-HNNXBMFYSA-N 370.396 4.282 0 40 FIAB CCCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2 100786950 YPPYAMYQQIFVIZ-SFHVURJKSA-N 359.433 4.073 0 40 FIAB Cc1cccc([C@@H]2C3=C(O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)c1 102585877 GXVJGAFAWRCNIU-QVKFZJNVSA-N 372.428 4.357 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)n1 148350672 IKGCBHDTJZCZTH-MRXNPFEDSA-N 351.425 4.178 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222801707 HBKJMNVIFNAMHC-OALUTQOASA-N 367.449 4.473 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 222898053 JBZANHJFJUXWDT-MOPGFXCFSA-N 354.523 4.381 0 40 FIAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1ccccc1Br 223091527 UXCMULJMUTVOLK-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1C 223963454 IKWUAXHVXNTCRG-SFHVURJKSA-N 369.461 4.435 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224246302 SVFBJVCQFSFRNR-OAHLLOKOSA-N 357.450 4.201 0 40 FIAB O=C(COc1cccc2c1CCCC2)NCc1cccc(C(F)(F)F)c1 224821582 YDNCRFXLBPNRMG-UHFFFAOYSA-N 363.379 4.279 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NC(C)(C)Cc1ccccc1 225411727 TVWVJCMRPYTELO-KRWDZBQOSA-N 351.490 4.470 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(F)cc1F 225740202 UKTNYFRVVMBAQO-ZDUSSCGKSA-N 361.461 4.093 0 40 FIAB COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(C)C 260764531 JTLZSLCYUHMSBV-OAHLLOKOSA-N 359.491 4.267 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 408707245 IKUTZVZYZOCCEO-KLHKWILBSA-N 374.500 4.290 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 409122787 BQIPEXWEPCRFBE-MRXNPFEDSA-N 374.937 4.311 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1F)[C@@H]1C[C@]12CCOc1ccccc12 512470037 WVLNOXMJIYKUDR-DJJJIMSYSA-N 363.335 4.106 0 40 FIAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3Cc3c(F)cccc3Cl)cc12 617463916 CKMDEWHHQCXEQJ-CYBMUJFWSA-N 373.815 4.171 0 40 FIAB CCOc1ccc2nc3sc(C(=O)N4CCCC[C@@H]4C)c(N)c3cc2c1 917102 PUBBHROLJYTGQG-LBPRGKRZSA-N 369.490 4.445 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1 958758 DEXGYWAQMKKJQJ-UHFFFAOYSA-N 366.845 4.098 0 40 FIAB COc1ccc(NC(=S)NC(=O)c2cc(SC)ccc2Cl)cc1 1003307 VHNFFDLQTBPZPU-UHFFFAOYSA-N 366.895 4.197 0 40 FIAB Cc1nc2sc3c(c2c2nnc(SCc4cccnc4)n12)CCCC3 1372307 MCBBUOGFMOETDD-UHFFFAOYSA-N 367.503 4.214 0 40 FIAB C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 1707525 DOQPSLKXZNSSBL-LFTLAFEGSA-N 370.452 4.335 0 40 FIAB COc1ccc2c(c1)CCN(c1ccc(Cl)cc1Cl)[C@H]2C(=O)O 2527044 IBKUYMAWPZYJAG-MRXNPFEDSA-N 352.217 4.190 0 40 FIAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccco1 2889627 FKAOZZMIDKSZBC-UHFFFAOYSA-N 357.387 4.056 0 40 FIAB Cc1ccccc1-n1c(SC[C@@H]2CCCCO2)nnc1-c1ccncc1 3314686 QZQLKDNPDPJFIV-KRWDZBQOSA-N 366.490 4.299 0 40 FIAB O=C(COC(=O)c1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1 3320381 WDPVOHTWTYOGRB-UHFFFAOYSA-N 363.744 4.216 0 40 FIAB COc1ccccc1C(=O)OCC(=O)Nc1c(Cl)ccc(C)c1Cl 3619363 WGJMPKZVTJWNAD-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB COc1cccc2c1O[C@]1(C)[C@H](C)[C@H]2NC(=S)N1c1c(C)cccc1C 3906881 XCSDDJUXFMVBBW-SOIKWTOOSA-N 368.502 4.493 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccc(F)cc1 4119977 HLPLBPLXCSFYNU-UHFFFAOYSA-N 354.406 4.317 0 40 FIAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1C 4275382 PHLZDAVTKFDBQO-UHFFFAOYSA-N 366.442 4.450 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 5245496 DLTRBXMUODNICR-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB O=C(Oc1ccccc1Br)c1cccc(Br)c1 6151730 UKFRKRRBSPTPFB-UHFFFAOYSA-N 356.013 4.431 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1Cl 6301411 VMSFYWBEEDTMIA-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C1=O 6325784 YJCUGQYAMRLERP-NBVRZTHBSA-N 369.442 4.201 0 40 FIAB Fc1ccc(C2=Nn3c(COc4ccc(Cl)cc4)nnc3SC2)cc1 6863221 JHXOIOUFSCQUIK-UHFFFAOYSA-N 374.828 4.008 0 40 FIAB CCn1c(C)cc(C(=O)CSc2nccn2-c2ccc(OC)cc2)c1C 7138089 LEQRYTJESHSCJM-UHFFFAOYSA-N 369.490 4.294 0 40 FIAB COc1cc(CSc2nnc(C3CC3)n2C2CC2)ccc1OC(F)F 7905471 QVAAYFFRQZKBPZ-UHFFFAOYSA-N 367.421 4.393 0 40 FIAB COC(=O)c1cc(NC(=O)c2ccc(Br)cc2)ccc1Cl 8092200 QWFHJPPTYNKBPT-UHFFFAOYSA-N 368.614 4.141 0 40 FIAB Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1C 8118077 MNIPSQFMILAUCE-GOSISDBHSA-N 353.853 4.210 0 40 FIAB C[C@@H]1CCCCN1CCCNC(=O)c1cc(C2CC2)nc2ccccc12 8351541 FKVVMUZIFHEEOU-MRXNPFEDSA-N 351.494 4.107 0 40 FIAB COc1ccc(N(Cc2cccs2)C(=O)CSc2ccccn2)cc1 8729215 WNXKBJAIGZPYHR-UHFFFAOYSA-N 370.499 4.477 0 40 FIAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N[C@H]1CCc2ccccc21 8753128 XEJRZIZSOOUYBX-SFHVURJKSA-N 352.434 4.295 0 40 FIAB Nc1nc(CSc2nc(C3CC3)nc3ccccc23)nc2ccccc12 9119045 XPEPCSMREUFBBR-UHFFFAOYSA-N 359.458 4.325 0 40 FIAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccccc1Oc1ccccc1 9217265 BUDHZBMLEXYYBT-QGZVFWFLSA-N 361.445 4.296 0 40 FIAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccco3)N3CCCC3)oc2c1 9576132 QRFVYTCDUAMJLD-QGZVFWFLSA-N 352.434 4.210 0 40 FIAB COc1ccccc1Nc1ncc2c(n1)C[C@@H](c1cccc(C)c1)CC2=O 9939248 DHJMKEGHFIFNHA-MRXNPFEDSA-N 359.429 4.450 0 40 FIAB Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c2c1[C@@H](C)CC2=O 11052690 JJBXPSLGPZSLRK-YJBOKZPZSA-N 363.457 4.258 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 11677854 IUBNIQFBWILCNU-UHFFFAOYSA-N 352.434 4.163 0 40 FIAB COc1ccccc1OCC(=O)OCc1cc(-c2ccc(Cl)cc2)on1 12236688 IYQYSOMFSCIMPO-UHFFFAOYSA-N 373.792 4.126 0 40 FIAB CC[C@@H]1Oc2ccc(C(=O)c3ccco3)cc2N(Cc2ccccc2)C1=O 12242005 DYPVZKYRJPMXQY-SFHVURJKSA-N 361.397 4.215 0 40 FIAB Cc1ccc(C[C@@H](S[C@H](CC(=O)O)c2ccc(F)cc2)C(=O)O)cc1 12274234 CEQDKWGXAVOCGK-IAGOWNOFSA-N 362.422 4.079 0 40 FIAB Cc1ccccc1C1=NN(C(=O)C(C)C)[C@@H](c2ccc3nccnc3c2)C1 12323024 NQJQVHJESGBQHL-OAQYLSRUSA-N 358.445 4.272 0 40 FIAB CCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 12539638 XQDZFCWYXQAWOW-HNNXBMFYSA-N 353.853 4.074 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12551048 BPHSUNIMGGPPSR-GJZGRUSLSA-N 369.852 4.170 0 40 FIAB COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 12618454 CFLRQVSSMOCEHS-UHFFFAOYSA-N 365.408 4.151 0 40 FIAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 12754504 JZAWXHRVTUQJST-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2cc(Cl)ccc2s1 12919740 TXXNOPWFMVVLPO-OAHLLOKOSA-N 374.849 4.143 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 13556054 KFXHPUPAAYDKEU-UHFFFAOYSA-N 372.465 4.126 0 40 FIAB Brc1ccc2nc(-n3ccnc3)nc(-c3ccccc3)c2c1 13689792 BWWOJXJUKZFJLW-UHFFFAOYSA-N 351.207 4.245 0 40 FIAB COc1ccccc1/N=c1\oc2c(Cl)cc(Cl)cc2cc1C(N)=O 13940808 BQFARSHNLLWROB-FXBPSFAMSA-N 363.200 4.080 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 13956954 UCRMKJCHDPKWSK-UHFFFAOYSA-N 355.854 4.239 0 40 FIAB O=C(Nc1cc(F)ccc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14260767 OFOPTRZMLDDETE-UHFFFAOYSA-N 371.362 4.421 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)Cc3ccccc3F)cc2)cs1 14673439 FQMMEJOBTWCGGO-UHFFFAOYSA-N 354.450 4.159 0 40 FIAB O=C1CN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2N1 16181208 DYQUOJIXMAWJDH-UHFFFAOYSA-N 362.360 4.217 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)c1cc2c(s1)-c1ccccc1CC2 17320540 CPXTURJQOPEPNZ-UHFFFAOYSA-N 363.438 4.172 0 40 FIAB O=C(CSc1nccc(O)n1)N1c2ccccc2Sc2ccccc21 17841393 HETKDSMBZMGXOY-UHFFFAOYSA-N 367.455 4.104 0 40 FIAB CCC(CC)C(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1onc(C)c1C 19500188 PGDSLUKWPOLVQH-QGZVFWFLSA-N 358.486 4.182 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2C)ccc1Cl 20462320 ODMRMCOASFZLKI-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB C[C@@H]1CCCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 22240643 BSKBFVKDNAOTKG-CYBMUJFWSA-N 363.914 4.058 0 40 FIAB Cc1nc(C2(NC(=O)c3cc(Cl)sc3Cl)CCCCC2)no1 23508157 DJLZWRSGMBLKCS-UHFFFAOYSA-N 360.266 4.336 0 40 FIAB O=C(N[C@H](Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccccc1 27987785 HWZMHLZRNAEEQX-FQEVSTJZSA-N 364.832 4.391 0 40 FIAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 28652510 RZEPRTVUQMGPHV-ZWOKBUDYSA-N 368.477 4.205 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@H](C)C3)c1 30274160 ULGJOASCTCBATJ-QWHCGFSZSA-N 356.491 4.322 0 40 FIAB Cc1c(C(=O)N2CC[C@H](C)Sc3ccccc32)cnn1-c1ccccn1 31895282 AEXLFDTVXAHCFS-AWEZNQCLSA-N 364.474 4.107 0 40 FIAB COc1ccc(NC(=O)CCc2ccccc2)cc1OCc1cccnc1 32832146 UTHHUABSVQNPFY-UHFFFAOYSA-N 362.429 4.241 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1 40144864 XVLDLMUGOCCXSC-OAHLLOKOSA-N 350.462 4.113 0 40 FIAB COc1ccc(OC)c(NC(=O)CN(C2CC2)[C@H](C)c2ccccc2F)c1 40155713 RBVLEJMDVHIZJJ-CQSZACIVSA-N 372.440 4.007 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1C 44039021 SRHYXVQTUJIKRY-UHFFFAOYSA-N 362.433 4.008 0 40 FIAB CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)s1 48286898 QBKCDDKRPPOVAC-INIZCTEOSA-N 374.506 4.399 0 40 FIAB CCN(C(=O)CN1CCC[C@H]1c1cc(C)no1)c1cccc2ccccc12 48308654 JIXRABPGPWTWQA-FQEVSTJZSA-N 363.461 4.326 0 40 FIAB CC(C)CNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 50521502 WMTLWFBRUVWDLE-UHFFFAOYSA-N 365.481 4.058 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@H]1Cc1ccc(F)cc1 56589596 ZZXDSIJRXKEQPQ-SFHVURJKSA-N 366.396 4.115 0 40 FIAB Cc1csc(COc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)n1 56907718 YRVLPKQGBAYPKU-UHFFFAOYSA-N 370.449 4.142 0 40 FIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(CCCc1ccccc1)CO3 57322428 URFOBIKAMVKPMM-UHFFFAOYSA-N 363.457 4.449 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)OCO2 58406002 WSGLWGPFPKRWLJ-KGLIPLIRSA-N 357.793 4.014 0 40 FIAB Cc1ccc(NC(=O)CC2(C(=O)N[C@H](C)c3ccccn3)CCCC2)cc1 75572157 LIEMIDXMOLEDNB-QGZVFWFLSA-N 365.477 4.156 0 40 FIAB Cn1c(COC(=O)CCc2ccccc2)nc2cc(C(F)(F)F)ccc21 79111368 NVPJEHOGNJMSIV-UHFFFAOYSA-N 362.351 4.268 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H]1NC(=O)c2ccccc2N1C 84016811 WXMKLAMPKWZOOB-LJQANCHMSA-N 366.852 4.021 0 40 FIAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1Oc1cccc(F)c1 84026680 JWWAPPUJUXQOGO-UHFFFAOYSA-N 362.382 4.024 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F 89518709 KCOGXKFFDUKDBC-GFCCVEGCSA-N 354.397 4.470 0 40 FIAB Fc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)cc1 96296204 TYJRPXKTJJRFJD-IBGZPJMESA-N 371.843 4.443 0 40 FIAB biogenic,in-vitro Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 220811030 WHZWUMCHHNLIKZ-OAHLLOKOSA-N 357.454 4.235 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCN(C)c1ccccc1 223004616 BKLNVZWOWKLJBS-OAQYLSRUSA-N 354.494 4.104 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(C)c2)cc1OCC 223219833 DFADDZROSFYFKU-OAHLLOKOSA-N 357.450 4.292 0 40 FIAB COc1ccc(CCCNC(=O)CCc2ccc(C)c(C)c2)cc1OC 223225305 FQQCHGPXAXDBKT-UHFFFAOYSA-N 355.478 4.002 0 40 FIAB CC(C)Sc1nnc(NC(=O)CCSCc2ccccc2)s1 224711458 NINIQACDLOIJOJ-UHFFFAOYSA-N 353.538 4.301 0 40 FIAB COc1cc(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)cc1C(C)C 225658032 UYWNYQFTADVAPQ-UHFFFAOYSA-N 366.505 4.085 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(F)c(F)c1 225740580 YCNKJJOMGMIMLE-ZDUSSCGKSA-N 361.461 4.093 0 40 FIAB Clc1cc2[nH]cc(I)c2cc1Br 575441005 JBQJSKAJEJWERN-UHFFFAOYSA-N 356.388 4.188 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)Nc2ccccc2C)c2ccsc2)n1 575614211 POIICWAYTKXLDG-SFHVURJKSA-N 354.479 4.281 0 40 FIAB CCc1ccc([C@H]2CCCN(C(=O)c3cccc4nc(O)oc34)C2)cc1 585082091 BFYVNLBCSFXXEP-INIZCTEOSA-N 350.418 4.116 0 40 FIAB Cc1ncc(C(=O)N2CC(C)(C)Oc3cc(Br)ccc32)s1 585114432 OOITZDDCLLBKSS-UHFFFAOYSA-N 367.268 4.032 0 40 FIAB CCN(C(=O)c1ccc(F)c2ccncc12)[C@H](C)Cc1ccc(OC)cc1 668494169 YMDSHGFOQMFEIX-OAHLLOKOSA-N 366.436 4.476 0 40 FIAB CCc1cccc(N2C(=O)N(CC3CCC3)c3ccccc3S2(=O)=O)c1 1889136109 BQZKRRUTZJQPFA-UHFFFAOYSA-N 370.474 4.184 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccccc1)N(c1ccc(Br)cc1)C2=O 626615 ZCJUVKBJIHLVKI-KRWDZBQOSA-N 368.234 4.230 0 40 FIAB COc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1Br 665067 FMZYKEJHUBSVTN-UHFFFAOYSA-N 364.283 4.012 0 40 FIAB Cc1cc(NC(=O)COc2ccccc2C)ccc1NC(=O)c1ccco1 884398 XKIDXIFDUVPJRC-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)cc1C 1865482 ANCNSSYIYGXXSI-UHFFFAOYSA-N 365.454 4.477 0 40 FIAB CC(C)Cc1nc2oc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCC2 2324693 YPXFKUVCMSIRGC-ZDUSSCGKSA-N 366.465 4.049 0 40 FIAB CCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2410404 FOGQLAURUISONE-UHFFFAOYSA-N 374.444 4.340 0 40 FIAB O=S1(=O)c2ccccc2N[C@@H](c2ccccc2)N1Cc1ccccc1 2502971 NMXIZMRFXBYOBW-HXUWFJFHSA-N 350.443 4.002 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1cccc(Cl)c1 3250554 FVVOYDQCSOGAEN-CJTWTEFWSA-N 371.864 4.034 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1C(F)(F)F 3367735 LVECOCVAEDTBRV-INIZCTEOSA-N 366.383 4.255 0 40 FIAB COc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)cc1 3892421 AMVJZPJLNMEVCX-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB C[C@H](NC(=O)[C@@H](C)Sc1nccn1C)c1ccc(Cl)cc1Cl 4805228 KAZWZNZQVJELNM-VHSXEESVSA-N 358.294 4.085 0 40 FIAB COc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC2(C)C)cc1 4892096 PHWVVBHFDVZWOD-UHFFFAOYSA-N 352.459 4.012 0 40 FIAB CCCCCC(=O)Nc1ccc(C(=O)CSc2nnc(C)s2)cc1 5054112 AOWWXFVTZVNRIF-UHFFFAOYSA-N 363.508 4.340 0 40 FIAB COc1ccc(C2=NN(C(=O)c3cccnc3)[C@H](c3ccccc3)C2)cc1 5257559 WPCYCPURJWPBEF-NRFANRHFSA-N 357.413 4.082 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)OC(=O)/C=C/c2c(F)cccc2Cl)c1 5564170 MAULZABNTSIEEG-LXKVQUBZSA-N 361.800 4.371 0 40 FIAB C[C@@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1ccc(F)cc1Cl 5897562 RWOYAEDFUDLXNS-MRVPVSSYSA-N 374.170 4.456 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1cccc(I)c1 6285047 XGQFQWVKXZNCOF-RMKNXTFCSA-N 367.161 4.082 0 40 FIAB COC(=O)c1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccccc12 6950822 VIHHIAZHFJUTTB-UHFFFAOYSA-N 358.397 4.220 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 7882574 OZCWKUMBNZRXKW-IBGZPJMESA-N 364.489 4.420 0 40 FIAB O=C(NCc1ccccc1)c1ccccc1OCc1nc2ccccc2o1 8223339 LVROJRDVYAZGJR-UHFFFAOYSA-N 358.397 4.337 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1nnc(C2CCCCC2)s1 8776762 HAYFVNMGGUUNFA-UHFFFAOYSA-N 357.479 4.092 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@@H](O)C[C@@]1(CCC[C@H](C)C1)O2 8879246 QUENKKPOINSKLX-WHECPESLSA-N 354.446 4.355 0 40 FIAB CCOc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 9062741 QBPPLAHWZLHZNY-UHFFFAOYSA-N 356.441 4.075 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCCC2)cc1 10329997 IWCBZEPRTKURTH-LJQANCHMSA-N 350.506 4.424 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)s2)cc1 12274423 TVKPYAZPAHVMOD-UHFFFAOYSA-N 367.426 4.081 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)C2CC2)cc1 12435735 YZVPWMIBCTUTLK-UHFFFAOYSA-N 362.351 4.235 0 40 FIAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O 12688567 CBUJNFLVPXVWAR-JOCHJYFZSA-N 370.493 4.274 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)N[C@H](c1cccs1)C1CC1 12736677 YQHBAKJYNFUGFP-FQEVSTJZSA-N 369.534 4.294 0 40 FIAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1ccccc1)C(=O)O3 12755362 DURJIWSNUSFQCI-UHFFFAOYSA-N 370.412 4.244 0 40 FIAB CC[C@@H](C)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 12789445 QCOAOHSWOXVLDO-KUHUBIRLSA-N 357.450 4.481 0 40 FIAB C[C@@H](OC(=O)C1(c2ccccc2)CCCC1)c1nc2ccccc2c(=O)[nH]1 12799849 WTXWDKDXOMJDEP-OAHLLOKOSA-N 362.429 4.039 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 12819078 NJWJKFIPWYHPQY-SFHVURJKSA-N 362.376 4.255 0 40 FIAB CN(C(=O)CC[C@@H]1Cc2ccccc2NC1=O)[C@H]1CCCc2ccccc21 12982338 UVIXLXRWFMXMBY-NQIIRXRSSA-N 362.473 4.114 0 40 FIAB C[C@@H](O)CCCCCCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460241 YLEKEQNOOIMZQM-PBHICJAKSA-N 350.455 4.071 0 40 FIAB biogenic,in-vitro CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccc(F)cc3)n2)cc1 13495046 YZNOFPDMGHSECM-UHFFFAOYSA-N 353.397 4.103 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1cc2c(cc1Cl)OCO2 14188850 AOZCLZABIKPTES-UHFFFAOYSA-N 355.777 4.483 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1 14236332 LJVNVIRABYSVMX-UHFFFAOYSA-N 371.487 4.182 0 40 FIAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 14428857 PISGTUPJURSFKV-KRWDZBQOSA-N 374.440 4.230 0 40 FIAB O=C1N/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1 15013187 GTABCRPOWLIMCA-RIYZIHGNSA-N 366.726 4.456 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1 15423975 BNQPPSVQAFOIRE-FPYGCLRLSA-N 367.323 4.254 0 40 FIAB C=Cc1ccc(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)cc1 16840075 WKEXRGAXQPMKBB-UHFFFAOYSA-N 355.441 4.471 0 40 FIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1 20144158 ODABTGFXFONCHP-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB COc1ccc2cc(CNC(=O)Cc3ccc(OC(F)F)cc3)ccc2c1 21521929 QIELQBMXYMXTND-UHFFFAOYSA-N 371.383 4.309 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 21700060 NETMXMNXZWHUPR-GFCCVEGCSA-N 353.340 4.428 0 40 FIAB COC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 21870751 AMXFZCXAYBPWGI-ZDUSSCGKSA-N 354.837 4.320 0 40 FIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OC 24316153 KCAJHAPHJXZYBG-INIZCTEOSA-N 367.489 4.393 0 40 FIAB CN(C)CCCNCC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1 27579161 RCOLLYUUTDLOOY-OAQYLSRUSA-N 366.977 4.389 0 40 FIAB CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27664236 JWYPEDQKMDTUFP-IBGZPJMESA-N 372.534 4.494 0 40 FIAB O=S(=O)(C1=Cc2ccccc2CC1)N(Cc1ccco1)Cc1ccco1 32679699 BUSHTZTUUNMOBZ-UHFFFAOYSA-N 369.442 4.192 0 40 FIAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N[C@H](C)CCC)c1CC 32910248 RVRDUHAAQMTOPF-OAHLLOKOSA-N 370.493 4.211 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 33566754 RJSOCXCOZXJMAJ-QGZVFWFLSA-N 366.461 4.027 0 40 FIAB CCOC(=O)c1cc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2s1 40082313 ZKPBTZBSQXVLGC-UHFFFAOYSA-N 369.398 4.059 0 40 FIAB O=C(Cn1ccc2ccc(Br)cc21)Nc1ccc(Cl)cn1 40266912 LKDZWIIXBCXWTF-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1 41303004 SEALVIOWTOPQAE-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB O=C(Nc1ccc(Sc2nncs2)cc1)c1cc2ccccc2[nH]1 47418726 CCHLIHOBVRLSIT-UHFFFAOYSA-N 352.444 4.423 0 40 FIAB COc1ccc(CNC(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1OC 48356345 SMOBTWODVDMYHN-UHFFFAOYSA-N 374.868 4.231 0 40 FIAB O=C(CNc1ccccc1Cl)N1CCC[C@@H](c2nc3ccccc3o2)C1 69006390 AGPLMXNXFLTYJN-CQSZACIVSA-N 369.852 4.299 0 40 FIAB Cc1ccc2c(ccn2CCC(=O)Nc2nc(-c3cccnc3)cs2)c1 71284634 CFIOZVQJCUEXOT-UHFFFAOYSA-N 362.458 4.497 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348950 PCFUQPDIGOAMSK-HXUWFJFHSA-N 373.500 4.456 0 40 FIAB COc1cccc(-c2noc([C@H]3CCN(Cc4cccc(Cl)c4)C3)n2)c1 72369882 XYMSUZGJQPIXCI-INIZCTEOSA-N 369.852 4.388 0 40 FIAB C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 95943499 HXVIOPYTQXPYCV-BEFAXECRSA-N 353.466 4.195 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@@H](OC)c1cccc(F)c1 96388244 KYEOALJQLKFLHM-HXUWFJFHSA-N 367.420 4.495 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 103059446 JQTHEVSJBRFWGI-BYMDKACISA-N 360.523 4.067 0 40 FIAB C[C@@H](SCc1ccc(Cl)nc1)c1nc(N)nc(Nc2ccccc2)n1 105623842 FOGSBBLHYUHJMQ-LLVKDONJSA-N 372.885 4.240 0 40 FIAB Cc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 222829198 LODUPEKXRQKSEG-SFHVURJKSA-N 353.462 4.409 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053870 JMHTVUPEPGNLBK-INIZCTEOSA-N 370.474 4.013 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(C)c(O)c(C)c4)OCC[C@@]31C2 257236865 HEBRIWYUPPGSAH-ABZCRWFKSA-N 371.521 4.418 0 40 FIAB CCOCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257239422 HPDWMZLQFNUDRE-QGZVFWFLSA-N 362.857 4.009 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2Cc2cnccc2C)n1 257265495 LYWKAOZIMWQBRC-FQEVSTJZSA-N 374.492 4.273 0 40 FIAB COCc1cc(=O)n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2[nH]1 409054512 AYCMLYZYDCSCQU-UHFFFAOYSA-N 365.820 4.156 0 40 FIAB Cc1ccc(OCc2nn(CC(=O)Nc3ccccc3C)c(=S)o2)cc1 409163123 MCBMLFQNNXADRJ-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB COc1ccc2sc(C(=O)N3CCOC[C@@H]3c3ccc(C)o3)c(C)c2c1 524665256 PYIKJOPIFPPYQM-MRXNPFEDSA-N 371.458 4.333 0 40 FIAB COc1ccc(OC)c(/C=C2\N=C(c3cccc4ccccc34)OC2=O)c1 678405 KGDOGZXIRLKOBT-UYRXBGFRSA-N 359.381 4.202 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3C)C3CC3)cc2c1 1364865 JERBHTBJBMCORR-UHFFFAOYSA-N 361.445 4.341 0 40 FIAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 1447072 DUGXFRLRHXVSQP-ZDUSSCGKSA-N 358.869 4.395 0 40 FIAB CC(C)c1nc2sc3c(NCCCN(C)C)ncnc3c2c2c1CCC2 2246985 VFJVCMYGEBELBT-UHFFFAOYSA-N 369.538 4.215 0 40 FIAB CC1(C)c2ccccc2N(CC(N)=O)[C@]12C=Cc1c(ccc3ccccc13)O2 2255559 MDPBVMGGIPXQNK-DEOSSOPVSA-N 370.452 4.225 0 40 FIAB CCN(c1ccccc1)c1nc2nonc2nc1N[C@H](C)c1ccccc1 2336791 XCRYNLJLPGOHHY-CQSZACIVSA-N 360.421 4.344 0 40 FIAB CC[C@H](C)COC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2373759 KIZAMYZCISEFFX-AWEZNQCLSA-N 368.481 4.416 0 40 FIAB CC1=C(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N(c2ccccc2)[C@H]1C 3220577 LQSVQZJKKZGAEK-INIZCTEOSA-N 362.473 4.423 0 40 FIAB O=C(CCOc1ccccc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 4107370 KLYKXYNHCCBUOR-UHFFFAOYSA-N 363.417 4.023 0 40 FIAB COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)cc1 4119217 FBCSWQRNKAYAGY-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB COc1ccc(C(=O)CSc2nc(-c3cccc(C)c3)ns2)cc1 4167426 HRVTVDRJEYIJSP-UHFFFAOYSA-N 356.472 4.497 0 40 FIAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccoc1C 4860489 RPHCWHMMWSEGHH-UHFFFAOYSA-N 370.478 4.214 0 40 FIAB COc1ccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)c(OC)c1 5043124 NOYZEVMFBNLOPD-UHFFFAOYSA-N 366.442 4.454 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Br)cc1 5555795 ACRUMWQWRZNCLH-UHFFFAOYSA-N 358.239 4.295 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2[nH]ncc2c1 5611767 SMOUKVHDXRDIJX-UHFFFAOYSA-N 352.781 4.432 0 40 FIAB O=C(O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 5631047 NSRVRMKKWVBOJD-UHFFFAOYSA-N 359.491 4.480 0 40 FIAB CC/C=C/C/C=C\C/C=C/CCCCCCCC(=O)OC[C@H](O)CO 5760326 GGJRAQULURVTAJ-XYSCVAPWSA-N 352.515 4.472 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1cccs1 5824091 SMKLGRWZIWIGQE-UHFFFAOYSA-N 359.882 4.193 0 40 FIAB Cc1ccc2c(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)coc2c1 6804266 FNRLINLWPYDYJX-UHFFFAOYSA-N 368.864 4.286 0 40 FIAB CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(Cl)c(Cl)c1 6881322 JUETYWBUKQFEIT-UHFFFAOYSA-N 359.203 4.342 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882001 QCGVAMNXIPUSOQ-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2c(C)cccc2C)CC1=O 7928172 CXBTVWULEZHHHM-IBGZPJMESA-N 364.489 4.420 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(OC)cc1 8517933 DRZMZLHASBGVGE-HNNXBMFYSA-N 374.289 4.432 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(C)c3)ccc21 8958966 IQJBFBWMNTYQIM-UHFFFAOYSA-N 366.461 4.409 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 9112119 XQQJWVPDTZSKFP-UHFFFAOYSA-N 357.460 4.011 0 40 FIAB CN(C)CCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N 9420948 SLUBBRAFTWIRNV-UHFFFAOYSA-N 358.445 4.004 0 40 FIAB O=C(COc1cccc2c1CCC2=O)Nc1cc(Cl)ccc1Cl 10197652 IOCMZALHDNZYEW-UHFFFAOYSA-N 350.201 4.140 0 40 FIAB COc1ccc2cc(CNC(=O)NCc3ccc(F)c(C)c3)ccc2c1 10366906 INPQZATXXNJJKI-UHFFFAOYSA-N 352.409 4.295 0 40 FIAB Cc1sc2nc(CSc3ncnc4sccc34)nc(N)c2c1C 10396122 YHKFFJSAYOVTRO-UHFFFAOYSA-N 359.505 4.187 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 10512218 WZZTXEJSPRXKKN-UHFFFAOYSA-N 357.456 4.419 0 40 FIAB Cc1cc2oc(C(=O)N3CCn4cccc4[C@H]3C(C)C)cc(=O)c2cc1C 12290088 AYCGEUOCCUTBST-OAQYLSRUSA-N 364.445 4.064 0 40 FIAB Cc1ccccc1Oc1nc2ccccc2nc1SCC(=O)NC(C)C 13362951 FTSJHQUHPJUNHS-UHFFFAOYSA-N 367.474 4.347 0 40 FIAB Cc1nc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)n(C)c2)cs1 14135664 GWHVSTSDVLVVAC-UHFFFAOYSA-N 355.507 4.156 0 40 FIAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2sc(Nc3ccccc3)nc2N1 15110050 ZUTRDYLFJCTHJW-ZDUSSCGKSA-N 365.414 4.090 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 15992535 HKVHJFSCNYSOAP-UHFFFAOYSA-N 369.442 4.123 0 40 FIAB Cc1nc(COc2ccccc2)sc1C(=O)NCc1ccccc1F 19688886 QMNQHDUGSDWCMU-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB COc1cc(NC(=O)c2cc3ccccc3o2)ccc1-c1ccc(CO)o1 20139679 SITFDAVJGBJQAR-UHFFFAOYSA-N 363.369 4.446 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)c(OC)c1 20632735 CKEQYWRFFPHGPD-OAHLLOKOSA-N 362.429 4.111 0 40 FIAB Cc1ccc(NC(=O)c2sccc2C)cc1I 22744522 SCCYAIMRZGXVRX-UHFFFAOYSA-N 357.216 4.222 0 40 FIAB O=C(CN1CCSC1=O)Oc1ccc(Cl)cc1Cc1ccccc1 24218121 OVNQYGCSTHOMIV-UHFFFAOYSA-N 361.850 4.005 0 40 FIAB O=C(CCCc1nc2ccccc2s1)N[C@@H]1CCOc2ccccc21 25048479 QYRJSRYNSCVXLF-OAHLLOKOSA-N 352.459 4.259 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)c2cc(F)ccc2F)c1 26044900 MATGWKLGTQJQNS-UHFFFAOYSA-N 360.385 4.134 0 40 FIAB O=C(Nc1ccccc1Sc1ccccc1)c1nc2ccccc2c(=O)[nH]1 28210344 PFJAJUMKZGLIHT-UHFFFAOYSA-N 373.437 4.327 0 40 FIAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C(F)(F)F 30004528 ZVYVVVFQOBBBAH-CYBMUJFWSA-N 371.424 4.302 0 40 FIAB CNc1snc(C)c1C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 30187847 MKBSZIGREGHFGY-UHFFFAOYSA-N 353.875 4.434 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)C1c2ccccc2Oc2ccccc21 32752997 PLISDHCJGSTYNA-UHFFFAOYSA-N 368.396 4.144 0 40 FIAB CC1CCN([C@H](CNC(=O)c2cccc(N(C)C)c2)c2cccs2)CC1 33028227 JCFFTYZRURASSE-LJQANCHMSA-N 371.550 4.017 0 40 FIAB COC(=O)c1cc2c(s1)Oc1cc(C(F)(F)F)ccc1C(=S)N2 36393717 VVSDAAATXJZGRH-UHFFFAOYSA-N 359.350 4.447 0 40 FIAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38848602 WCMMBMMICGFYIJ-QGZVFWFLSA-N 360.860 4.008 0 40 FIAB CC[C@H](C(=O)NCCc1ccc(OC(F)F)c(OC)c1)c1ccccc1 39978554 ZEEMPOVEELXVOI-INIZCTEOSA-N 363.404 4.149 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2N(C)C)o1 40133123 KNHNCMMYOYQLFN-UHFFFAOYSA-N 366.417 4.186 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 40946009 FCPOQRPQSIMRLX-OAHLLOKOSA-N 371.433 4.058 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)c(F)c2)c(C)c1 41120857 QGWWHDPLZVKOFL-UHFFFAOYSA-N 362.470 4.234 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccccc2C)cc1OCC 44880594 VPSZGPUACZGLGB-SFHVURJKSA-N 371.477 4.266 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N(C)[C@H]2/C=C/c2ccco2)cc1 58156810 ODVMTFFSWAMXJM-QZMUEMGWSA-N 360.413 4.424 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58369482 IUUZAMIWBUXWLU-LBPRGKRZSA-N 358.492 4.486 0 40 FIAB CC[C@@H](C)NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289738 SSZDVDUDBKHOEO-OAHLLOKOSA-N 368.506 4.020 0 40 FIAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCCN2C(=O)CC(C)C)n1 72383716 FHIPDKKLVKEJTO-AWEZNQCLSA-N 359.499 4.085 0 40 FIAB O=C(Cc1ccccc1C(=O)O)Nc1cc(-n2cccc2)ccc1Cl 72401118 QHEAGLPHTNZDQO-UHFFFAOYSA-N 354.793 4.010 0 40 FIAB NC(=O)c1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 73638279 AJSFDJULKPAHFL-UHFFFAOYSA-N 351.587 4.010 0 40 FIAB O=C(c1ccc(OC(F)(F)F)cc1)N(CCc1cccs1)C1CC1 75170206 RLQBUCGAFGEOAD-UHFFFAOYSA-N 355.381 4.494 0 40 FIAB FC(F)(c1ccccn1)c1nc(-c2cccc(Br)c2)no1 97032447 LZAYFQMEMKHSET-UHFFFAOYSA-N 352.138 4.034 0 40 FIAB CC(=O)c1ccc(C(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)cc1 100908768 FNUYPDWDWMYOJE-ZZEZOPTASA-N 358.850 4.145 0 40 FIAB CCSc1nc2n(n1)[C@H](c1ccccc1OC)C1=C(O)CCCC1=N2 102674495 SEEWMCKXXPHEDX-MRXNPFEDSA-N 356.451 4.070 0 40 FIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N(C[C@H]1CCCO1)c1nc2ccccc2s1 102888378 WHKWALOBTNYKKI-JONQDZQNSA-N 354.475 4.021 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)n1cc(C(=O)O)c2ccccc21 216913623 ZFZGXJHKXFVEQP-UHFFFAOYSA-N 357.793 4.491 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C 223004911 GDVWATVWSMCLNB-INIZCTEOSA-N 373.518 4.230 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)s1 224606843 AUGWJVHKQYPABD-VIFPVBQESA-N 357.888 4.098 0 40 FIAB O=C(N1CC[C@@H](c2ccc3c(c2)OCO3)C1)C1(c2cccs2)CCCC1 225676624 QXBPZYVLWXOALL-MRXNPFEDSA-N 369.486 4.305 0 40 FIAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C(=O)OC 225818430 GHOZLODXJPCXDF-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1nnc2cc(Cl)ccc21 226359777 XOLKQNZVEVJNQU-UHFFFAOYSA-N 370.623 4.419 0 40 FIAB C[C@@H](Oc1ccccc1F)C(=O)NCc1ccnc(-c2cccs2)c1 238871183 MYGQZRFDERYQBO-CYBMUJFWSA-N 356.422 4.033 0 40 FIAB Cc1c[nH]nc1[C@@H]1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257285546 PHRGNDJVULIOMC-GOSISDBHSA-N 361.445 4.073 0 40 FIAB Fc1ccc(Cc2cnc([C@H]3CCCN(Cc4cccnc4)C3)o2)cc1 257343380 ZSSVVIFEBXWPLT-SFHVURJKSA-N 351.425 4.179 0 40 FIAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccccc1 408574755 MOZFZMQTLRPACW-UHFFFAOYSA-N 353.443 4.333 0 40 FIAB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCc2ccc(Cl)cc2)=N1 408993381 WJIJMTDIOSAPGT-KRWDZBQOSA-N 371.893 4.033 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]21)c1ccccc1 409374162 YAAFGUQUEQWLGZ-CZAYHTPWSA-N 355.437 4.390 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)nc1)N1CCc2cc(F)ccc2C1 510093418 HUTGVRLPFMMINZ-UHFFFAOYSA-N 355.413 4.132 0 40 FIAB O=C(CCc1nc2cc(Cl)ccc2s1)N1C[C@@H](CO)c2ccccc21 569954419 QLBXSEMRYITDBG-LBPRGKRZSA-N 372.877 4.005 0 40 FIAB Cc1nc([C@H](C)NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cs1 623585813 BMDINASPCROYSU-FZMZJTMJSA-N 365.449 4.380 0 40 FIAB COc1ccc2cc(C(=O)N[C@@H]3C[C@H](OC(C)(C)C)C34CCC4)cnc2c1 1532649815 FUBIGCCBSHIDMJ-MOPGFXCFSA-N 368.477 4.100 0 40 FIAB CCCCOc1ccc2cc(S(=O)(=O)n3nc(C)cc3C)ccc2c1 1775979055 YVRQEGIXBQZQQI-UHFFFAOYSA-N 358.463 4.069 0 40 FIAB CCC[C@H](NC(=O)[C@@H](C)Nc1ccc(OC)cc1OC)c1ccccc1 28795632 MXGSXRLZKWSQRK-QAPCUYQASA-N 356.466 4.162 0 40 FIAB Brc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 2445255 ZFNYXNCBMAMTOX-JKSUJKDBSA-N 355.239 4.187 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)c1 929465 WYVMPCHLKKLIFO-GJZGRUSLSA-N 359.495 4.235 0 40 FIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N(c1cccc(Cl)c1)CC(=O)N3 1036555 KFVNZCJRCKXOKC-UHFFFAOYSA-N 371.849 4.165 0 40 FIAB CCOC(=O)c1ccc(C(=O)c2ccc(CN3CCCCC3)cc2)cc1 2514501 ZJLDEWAAYDWXQP-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 3325398 FPNBCYGCSFSCJS-UHFFFAOYSA-N 370.758 4.117 0 40 FIAB O=C(c1ccc(Br)cc1F)c1ccccc1CN1CCCC1 2515576 MGJKMSWUJJVYKU-UHFFFAOYSA-N 362.242 4.415 0 40 FIAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1c(F)cccc1F 4077297 BHERHXMGFBIPDV-UHFFFAOYSA-N 357.385 4.150 0 40 FIAB CCOc1cc(Br)c(C(=S)N2CCC(C)CC2)cc1OC 6350881 OLZNWUVGRVBKMK-UHFFFAOYSA-N 372.328 4.264 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CC=C(c2ccccc2)CC1 32780833 RRAVMFNWORBUNC-HSZRJFAPSA-N 372.468 4.267 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2ccccc2cc1OC 32722685 CKJRLZGXWJRAGH-UHFFFAOYSA-N 363.413 4.239 0 40 FIAB C[C@H](NC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccco1 32777467 WBRUSFDQLOFGBS-ZDUSSCGKSA-N 366.383 4.140 0 40 FIAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccn2)cc1 83869372 FMJKMEWKJQMYEG-UHFFFAOYSA-N 365.820 4.264 0 40 FIAB CCc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccccc4)cc3n2)cc1 20611208 NCZYATLMMDEGQD-UHFFFAOYSA-N 370.456 4.473 0 40 FIAB O=C(O)c1cc(/C=C/c2cccnc2)nc2ccc(Br)cc12 22148990 OMLWOMPGSDDIDN-HWKANZROSA-N 355.191 4.261 0 40 FIAB COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1OC 632839 BJDCKJYLNPCIRL-UHFFFAOYSA-N 350.296 4.440 0 40 FIAB COc1ccc(S(=O)(=O)N2c3ccc(C)cc3C(C)=CC2(C)C)cc1 663040 SEACXRZKDQQCDM-UHFFFAOYSA-N 357.475 4.394 0 40 FIAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc2[nH]c3c(c2c1)CCCC3 22748234 FSMQCOJPCMONPN-UHFFFAOYSA-N 373.456 4.426 0 40 FIAB Cc1noc(-c2ccc(C(=O)OCc3nc4ccccc4s3)cc2)n1 22829608 KGNZUJUFLCBPHM-UHFFFAOYSA-N 351.387 4.012 0 40 FIAB COc1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1OC 20047041 MTCCWRPWNYGAQW-XMHGGMMESA-N 363.413 4.154 0 40 FIAB COc1ccc2c(CN3CCC(Cc4ccccc4)CC3)cc(=O)oc2c1 1270767 HHMVMCYVZLGGPX-UHFFFAOYSA-N 363.457 4.256 0 40 FIAB biogenic Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)c1 1299051 KBXLRLYDJOUBFG-OAQYLSRUSA-N 361.489 4.269 0 40 FIAB CCn1cc(C(=O)Nc2cccc(Cl)c2C)c(=O)c2cc(OC)ccc21 22235768 NNCKVWMUIVDKAA-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(C)c3)n2)cc1 57486794 WWDLCYURRYTPBS-UHFFFAOYSA-N 372.428 4.461 0 40 FIAB CCOCc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1OC 22987628 DNPDTTZAQLFBRQ-UHFFFAOYSA-N 354.450 4.084 0 40 FIAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(Cl)cc1 44841535 IZFOXEWMCMRJLJ-UHFFFAOYSA-N 372.852 4.002 0 40 FIAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@H]1c1nc2ccccc2s1 10275698 PDTMXPXEEBSZSS-KRWDZBQOSA-N 362.454 4.436 0 40 FIAB Cc1c(C(=O)O)sc2nc(SC/C=C/c3ccccc3)nc(N)c12 10274666 ACYYUCIYNSTCIP-VMPITWQZSA-N 357.460 4.086 0 40 FIAB CCOc1ccccc1NC(=O)c1coc2cc(C)c(Cl)cc2c1=O 27748914 QZBNIUPTYCCPJZ-UHFFFAOYSA-N 357.793 4.406 0 40 FIAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(Oc2ccccc2)cc1 3387779 PAXLSAJDSLPXLA-UHFFFAOYSA-N 361.323 4.333 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccc(F)cc1F)C3 2381087 HUOBABKEOUBJJD-UHFFFAOYSA-N 369.367 4.307 0 40 FIAB COC(=O)c1ccc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)cc1 12813530 JIGZVYOCKLGCKL-UHFFFAOYSA-N 367.792 4.423 0 40 FIAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1F)C1CCCCC1 3895811 CVHCPJIYJAXSPM-HXUWFJFHSA-N 368.452 4.072 0 40 FIAB CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1ccc(=O)[nH]c1 63339007 MQCLFMFKUDACJG-UHFFFAOYSA-N 370.449 4.293 0 40 FIAB Cc1[nH]nc2c1[C@@H](c1cccc(F)c1)N(CCc1c[nH]c3ccccc13)C2=O 13736455 ZQLMCCKSZNEBTG-OAQYLSRUSA-N 374.419 4.126 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1 6128851 DFPAYISDLJFIDS-UHFFFAOYSA-N 364.474 4.184 0 40 FIAB O=C(COc1ccccc1-c1ccccc1)NCCOc1ccccc1F 6278266 DSRCQVSCXIMZRP-UHFFFAOYSA-N 365.404 4.067 0 40 FIAB CCOC(=O)C[C@H](NC(=O)Nc1cccc2cccnc12)c1ccccc1 65450862 PQCLXQXCNPTPRG-SFHVURJKSA-N 363.417 4.051 0 40 FIAB CC(C)[C@@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc2c(c1)OCCO2 5405749 XHKJNCXGZNVWSF-VHTFYLNKSA-N 355.409 4.124 0 40 FIAB COc1ccc(Cc2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1 8392924 YCDQNQKLULCERQ-UHFFFAOYSA-N 370.865 4.029 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)cc1C 5804882 RLWSNIFKTLABCV-HUUCEWRRSA-N 359.495 4.235 0 40 FIAB CCN(CC)C(=O)[C@@H](Sc1nc2ccc(OC)cc2[nH]1)c1ccccc1 6931095 BAZJUWLCDTUYEN-SFHVURJKSA-N 369.490 4.273 0 40 FIAB COCCCn1c(C)cc(C(=O)COc2cccc3c2OC(C)(C)C3)c1C 5956304 ZGNPPPAZKVXNPC-UHFFFAOYSA-N 371.477 4.117 0 40 FIAB CCOC(=O)c1ccoc1CSc1nnc2sc3ccccc3n12 8747261 QAQUBCJTJMZCHD-UHFFFAOYSA-N 359.432 4.006 0 40 FIAB COc1cccc(Nc2nnc(SCc3nccn3C(F)F)s2)c1 9114984 MECFWBWGMWHFAJ-UHFFFAOYSA-N 369.422 4.174 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCC1 24189845 AKMYTUXDXYLPEV-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB CCOc1ccc(OCCCC(=O)N[C@H](C)c2ccccc2OC)cc1 9376778 UFTBSQCBUJCGTG-MRXNPFEDSA-N 357.450 4.130 0 40 FIAB Fc1ccc(-c2cncc(NCCc3ccc(-n4cccn4)cc3)n2)cc1 72301798 ZLISEWVLTCVIBZ-UHFFFAOYSA-N 359.408 4.123 0 40 FIAB C[C@H](c1nc2ccccc2o1)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 95465891 JEIPKBGMKRCXBO-CXAGYDPISA-N 369.852 4.280 0 40 FIAB COc1cccc2cc(CNC[C@@H](O)c3cc4ccccc4s3)oc12 95965138 LZQSOVTWTQQEFQ-MRXNPFEDSA-N 353.443 4.479 0 40 FIAB C[C@H](SC1=N[C@H](C)CS1)C(=O)N(c1nccs1)C1CCCCC1 95980501 XZQWKLLASSBMOY-NEPJUHHUSA-N 369.581 4.422 0 40 FIAB C[C@@H](CN(C)C(=O)Nc1cn(Cc2ccccc2)nn1)C1CCCCC1 529072372 QUOXYILZVDOEGH-INIZCTEOSA-N 355.486 4.007 0 40 FIAB CC[C@@H](C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 76555502 PBMYQRUBZPIZII-GOSISDBHSA-N 363.505 4.430 0 40 FIAB CCc1ccc(OCC(=O)NCCSC(C)(C)C)c(Br)c1 218861589 AEQRBBZJMGVZLK-UHFFFAOYSA-N 374.344 4.038 0 40 FIAB CCN(CC)C(=O)Oc1cccc(Br)c1Br 36423436 FWYVHAXBUURRBW-UHFFFAOYSA-N 351.038 4.052 0 40 FIAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1F 214362593 CQJBNIQGEFQPBD-OVCLIPMQSA-N 363.797 4.421 0 40 FIAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215536 DKQLBFZOHKCLPW-GOSISDBHSA-N 373.497 4.449 0 40 FIAB CN1CCN(C(=O)c2cnc3ccccc3c2C(F)(F)F)c2ccccc21 561879824 VSBFOUYGQFLCEQ-UHFFFAOYSA-N 371.362 4.350 0 40 FIAB Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1C 40128126 VONCMHPMAQCTFA-UHFFFAOYSA-N 369.446 4.095 0 40 FIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225650868 MYPPCHWRKZQSFI-NRFANRHFSA-N 362.514 4.085 0 40 FIAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cccc(Cl)c1Cl 225744862 MXJSDTHPIYCING-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB O=C(CCC(=O)N1CCC[C@@H](COCc2ccccc2)C1)c1ccccc1 49031456 YIKODMKHOIKBJQ-HXUWFJFHSA-N 365.473 4.105 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 224086070 LLCSRPDJBMQXLD-SFHVURJKSA-N 363.457 4.419 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCCc1ccccc1 40119744 JQHOVLXUGBUWEN-UHFFFAOYSA-N 367.880 4.044 0 40 FIAB Fc1cc2c(cc1Cl)[C@H](NCCc1nnc(-c3ccccc3)o1)CC2 527874718 FSNNZZCYSOWUOS-QGZVFWFLSA-N 357.816 4.349 0 40 FIAB O=C(Cc1cccs1)NCCCNc1ccnc2cc(Cl)ccc12 222959888 CJDCDTCRSFVBDR-UHFFFAOYSA-N 359.882 4.111 0 40 FIAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc(Br)cc1 224724539 YLLULOKGDXWINH-UHFFFAOYSA-N 368.296 4.227 0 40 FIAB Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ccccc3)c2c1 225232102 OSHOCYKIAWGMNY-UHFFFAOYSA-N 350.491 4.250 0 40 FIAB COc1ccc(CNC(=O)N2CCC(CSCc3ccco3)CC2)cc1 85472489 HFAXIQUTDMQFPE-UHFFFAOYSA-N 374.506 4.143 0 40 FIAB Nc1c2c(nc3c1cnn3-c1ccccc1)C[C@H](c1ccc(F)cc1)CC2=O 618256624 KEEJCVLQQRIDRT-AWEZNQCLSA-N 372.403 4.055 0 40 FIAB CN1C[C@H](Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)CCC1=O 1156565573 SRPICJPAHPSWEU-CYBMUJFWSA-N 372.881 4.044 0 40 FIAB CCc1ccc([C@@H]2C[C@H](C)CCN2c2ccc3nnc(C4CC4)n3n2)o1 669823523 JPLUTKQSHCPVQC-CJNGLKHVSA-N 351.454 4.135 0 40 FIAB C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1 608718006 PPVRBMPYYOTJTK-LFVTVUPYSA-N 372.900 4.349 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(Cl)cc1Cl 5510697 ANSDYFFJKQAODV-NSHDSACASA-N 354.233 4.258 0 40 FIAB O=C(Nc1c[nH]c2ccccc12)N1CCN(c2ccccc2Cl)CC1 5265487 OZSNMTRDFDMTLA-UHFFFAOYSA-N 354.841 4.175 0 40 FIAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3c(C)noc3C)[nH]c2cc1C 12157742 FSPVGWTZOPMAIN-KRWDZBQOSA-N 352.438 4.152 0 40 FIAB CC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)c2ccco2)cc1 12219443 RXZILELSQKOOSP-IBGZPJMESA-N 366.442 4.087 0 40 FIAB CC[C@H]1c2ccc(C)n2CCN1C(=O)c1cc(=O)c2cc(C)c(C)cc2o1 12290097 MWQAPONIGXWOBE-KRWDZBQOSA-N 364.445 4.127 0 40 FIAB Cc1c(CN(Cc2ccccn2)C[C@H]2CCCO2)[nH]c2ccc(F)cc12 19565434 PDKXQHYPPLRGDD-GOSISDBHSA-N 353.441 4.192 0 40 FIAB COc1cccc(CN2CC[C@@](O)(c3ccccc3)C2)c1OC1CCCC1 19568158 LJJYLZIJLYWRED-QHCPKHFHSA-N 367.489 4.110 0 40 FIAB CC(C)C(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226352107 KMMLNVSQBIOUCP-UHFFFAOYSA-N 352.184 4.002 0 40 FIAB O=S(=O)(Cc1ccccc1)Nc1ccc(Br)c(Cl)c1 13948500 VPNOCGSYOFXXEK-UHFFFAOYSA-N 360.660 4.044 0 40 FIAB Cc1cccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)c1 2719709 JDXSFLIFRAJYQP-UHFFFAOYSA-N 366.511 4.481 0 40 FIAB Cc1ccc2cc(CCNC(=O)c3cccc4ccccc34)c(=O)[nH]c2c1C 3911890 CXBINOAISOGMLP-UHFFFAOYSA-N 370.452 4.271 0 40 FIAB c1c(-c2nc3c4c5c(sc4ncn3n2)CCCCCC5)n[nH]c1C1CC1 4626241 WHNNZWSYSTUEKY-UHFFFAOYSA-N 364.478 4.266 0 40 FIAB Cc1ccccc1C(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 5259215 YBDIFJKPROZSQG-UHFFFAOYSA-N 358.445 4.305 0 40 FIAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1nccs1 8854161 UTJRSDCYNNAILA-UHFFFAOYSA-N 365.480 4.212 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCS[C@H](c3ccccc3C)CC2)s1 219302044 HACKHPLBAMLAOY-INIZCTEOSA-N 367.561 4.234 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@@H](C)c1cc(C)sc1C 40080954 FLNSQQFGTRYYPL-GXTWGEPZSA-N 354.475 4.057 0 40 FIAB CC(C)c1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1 2434494 CNUUIVNQWLWYGP-UHFFFAOYSA-N 360.483 4.142 0 40 FIAB CC[C@H](C)OC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2412806 XNNBBYVRNRSWGB-AWEZNQCLSA-N 374.444 4.420 0 40 FIAB Clc1cccc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCC4)c1 1589546 SHSBBIUTMAOQBX-UHFFFAOYSA-N 371.893 4.337 0 40 FIAB COc1cccc(-c2nc(CSc3nnc(C)s3)cs2)c1OC 7193326 OZINMIMCODZRQM-UHFFFAOYSA-N 365.505 4.280 0 40 FIAB Cc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)cc1C 7696805 LEEWZYUVRCZKDD-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccccc3F)n2)c1 11867516 MOCDFPPGPWVJDA-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB COc1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 8603534 XIXPKDHRGXPSKK-UHFFFAOYSA-N 364.426 4.011 0 40 FIAB Cn1c(Cl)cnc1COC(=O)C1c2ccccc2Oc2ccccc21 16210353 FGLGBUNDYLDJIS-UHFFFAOYSA-N 354.793 4.055 0 40 FIAB CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C 32754981 OHAQIMYGHUEJKY-UHFFFAOYSA-N 374.506 4.296 0 40 FIAB CCOc1ccc(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 2666997 JXADKRHJLQXCAF-AWEZNQCLSA-N 367.704 4.356 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2c1C 9552036 YQJHMKJUYCOESB-XLWVJDPXSA-N 356.466 4.025 0 40 FIAB Cc1cc(C)cc(-c2nnc3sc(COc4ccc(F)cc4)nn23)c1 632932 OTBCZBCSAWUTFL-UHFFFAOYSA-N 354.410 4.188 0 40 FIAB CCOc1ccc(CCC(=O)NCc2ccc(Cl)cc2)cc1OCC 20492164 ZCEGYWMGBIIKJR-UHFFFAOYSA-N 361.869 4.386 0 40 FIAB O=C(/C=C/c1ccco1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 7975907 HZXVXIRMFBIEDY-MDZDMXLPSA-N 369.808 4.187 0 40 FIAB Cc1ccsc1-c1nnc2sc(-c3cnn(-c4ccccc4)c3)nn12 12321650 UJUADWKPEVVVIV-UHFFFAOYSA-N 364.459 4.075 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 20456280 VOFQXWCKZWLQPU-HNNXBMFYSA-N 355.434 4.393 0 40 FIAB O=C1c2ccccc2-c2nn(C(=O)COc3ccccc3F)c3cccc1c23 3179073 PQSGOQUSMBIFSJ-UHFFFAOYSA-N 372.355 4.106 0 40 FIAB Cc1ccc(Oc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1 27752629 PCQRFCFOWVUWMX-UHFFFAOYSA-N 355.397 4.496 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)n1 12560763 SZUWYGNRKATVEL-UHFFFAOYSA-N 351.642 4.151 0 40 FIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(F)cc1)CO3 55393804 LPCOSDLLNMRSBA-UHFFFAOYSA-N 353.393 4.155 0 40 FIAB CCOC(=O)c1nnc(-c2cccs2)nc1NCc1ccc(Cl)cc1 1400945 FLWXXGGBEQBHFH-UHFFFAOYSA-N 374.853 4.042 0 40 FIAB CCOC(=O)c1c(Cl)c(Cl)nc(SC(=S)N(C)C)c1Cl 1405893 LBYFSQSOOAZZEB-UHFFFAOYSA-N 373.714 4.157 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccsc2)N(C)C)sc2cccc(F)c12 25330783 BFXGMPBECVBQSS-CQSZACIVSA-N 362.495 4.443 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1 3229738 LCLBTQPOEWBHGE-UHFFFAOYSA-N 373.474 4.190 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57413762 OZHBYHLZIQWYON-LBPRGKRZSA-N 355.825 4.230 0 40 FIAB CCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccccc1Cl)OCCO2 20096396 YLXILKFOINPIMY-MRXNPFEDSA-N 361.825 4.197 0 40 FIAB Cc1ccc(-c2noc(CN(C(=S)NC3CCCCC3)C(C)C)n2)cc1 12654248 IPJXJYUCAKAECO-UHFFFAOYSA-N 372.538 4.463 0 40 FIAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(C(F)(F)F)cc1 3325011 AZCWVSUYGYMEKD-UHFFFAOYSA-N 357.715 4.398 0 40 FIAB O=C(O)[C@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 3358693 ILVYRZSYPBCXEP-LBPRGKRZSA-N 373.865 4.313 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCc3ccco3)cccc2c1=O 8133170 FODGKAQEVNCBMK-UHFFFAOYSA-N 373.408 4.334 0 40 FIAB Cc1cc(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)no1 48354301 RNJWWSZAOIZSPA-ZDUSSCGKSA-N 350.216 4.115 0 40 FIAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Cl)cc1Cl 3496159 GOFSLSVDILMHHQ-SECBINFHSA-N 367.261 4.155 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3645849 OSRRXHGMUNUMRB-UHFFFAOYSA-N 367.836 4.029 0 40 FIAB aggregator COc1ccc(-c2n[nH]c(SCCOc3ccc(Cl)cc3)n2)cc1 6141494 KOBDUJMDFWURNM-UHFFFAOYSA-N 361.854 4.305 0 40 FIAB CCCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 8429663 DKSDHTNSLDJUDL-UHFFFAOYSA-N 351.425 4.437 0 40 FIAB Cc1noc(Cl)c1CCC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 65593619 PMFPUBIGWLMGPE-UHFFFAOYSA-N 370.796 4.344 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)[nH]n2)cc1Cl 5343178 GQCZGTYOULFNPS-UHFFFAOYSA-N 371.824 4.313 0 40 FIAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 4618281 NTBOCDJRFRTTPQ-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)cc1C 18118309 RLWSNIFKTLABCV-GASCZTMLSA-N 359.495 4.235 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1 14814378 MYOKXARMPISULL-UHFFFAOYSA-N 360.417 4.406 0 40 FIAB Clc1ccccc1-c1noc(CSc2nnc3n2CCCCC3)n1 7081560 CVQIYTBYDAETFM-UHFFFAOYSA-N 361.858 4.000 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1 8705528 QYULEQUQKSMIRF-MRXNPFEDSA-N 370.453 4.131 0 40 FIAB O=C(COc1ccc2ccccc2c1)OCc1ccc(-n2cccn2)cc1 7254170 CMVRCNFWKKINEX-UHFFFAOYSA-N 358.397 4.148 0 40 FIAB CC(C)OCCCNC(=O)c1sc(-n2cccc2)nc1-c1ccccc1 71283744 WYHAUXWRXKSDDB-UHFFFAOYSA-N 369.490 4.146 0 40 FIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@@H]1c1ccc[nH]1 84339146 LIZJVCXRWAXQBR-MRXNPFEDSA-N 371.387 4.244 0 40 FIAB C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(N2CCCC2=O)ccc1F 89930137 UHMWVBXUALNNJU-LHSJRXKWSA-N 366.436 4.006 0 40 FIAB CCC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc21 76555485 AFUNEHKVJNWDFB-UHFFFAOYSA-N 354.475 4.495 0 40 FIAB C[C@@H](NC(=O)CC(C)(C)c1ccccc1)[C@H](O)c1c(F)cccc1Cl 89598470 UJODFRXZMODDQK-YJYMSZOUSA-N 363.860 4.385 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)o2)cc1C 20196848 NMTJJCGKUGVJHM-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2F)c1C 22518481 KEJXIHJFOVZJSB-MRXNPFEDSA-N 361.482 4.259 0 40 FIAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1 36352678 CFGUAWRBYQNNSB-INIZCTEOSA-N 367.380 4.152 0 40 FIAB Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc(C(=O)Nc3ccccc3)nn2)C1 523088109 SDBMSGRZGCIZQS-MSOLQXFVSA-N 372.472 4.420 0 40 FIAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 36620794 XUVVUNRJBOZLJA-GOSISDBHSA-N 365.882 4.265 0 40 FIAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)Nc1nccs1 1565524318 IVZRFTDCYBXYBG-UHFFFAOYSA-N 369.490 4.078 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 32622643 KACMJHUOLITEFX-KRWDZBQOSA-N 369.490 4.216 0 40 FIAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1ccccc1Cl 64977428 AFWPQEVZFJXIDA-UHFFFAOYSA-N 353.784 4.004 0 40 FIAB CCOc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1 223717034 DMRCLPQVLQSWSB-UHFFFAOYSA-N 355.459 4.059 0 40 FIAB COc1ccccc1CCCNC(=S)Nc1ccc(OC(C)C)cc1 225551274 YOJLEPNBXPPMLN-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1cccc(F)c1F 43277819 WWVNLQJXEAYTFX-UHFFFAOYSA-N 371.431 4.262 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccccc1C(C)(C)C 222800573 PPZIVMLPACDGJS-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C)cc1C 224471922 QKLRVZJXTLDIKT-IBGZPJMESA-N 355.478 4.273 0 40 FIAB COc1ccc(CCC(=O)NCCCc2cccc(OC(C)C)c2)cc1 225316461 PLQBZUVTZUWEPJ-UHFFFAOYSA-N 355.478 4.164 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1Cl 225843834 BDQLZQLYAAMDNA-HNNXBMFYSA-N 373.880 4.181 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2c(F)cccc2F)cc1C(C)C 193441607 YNJDJEPMXTXOHJ-UHFFFAOYSA-N 355.406 4.206 0 40 FIAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(c2ccsc2)CC1 75157197 FOXVZMRHTGFDDK-UHFFFAOYSA-N 369.465 4.308 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222796370 LXLYSMCFSCPNNX-MOPGFXCFSA-N 366.465 4.004 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(OC)cc2)cc1Cl 225315809 RLUZEOMRKZJXCB-UHFFFAOYSA-N 361.825 4.097 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c(Cl)c1Cl 98072438 FDWMUUZATFLUQU-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2ccc3ncccc3c2)C1 257250388 JMIOAQQHLRUFRE-INIZCTEOSA-N 351.475 4.095 0 40 FIAB Cc1cc(N2CC[C@H](OCc3csc(C)n3)C2)c2cccc(F)c2n1 585083326 RFNYNROXFBKYIP-HNNXBMFYSA-N 357.454 4.243 0 40 FIAB CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 585145932 HZUPBUBHNXSQLK-HNNXBMFYSA-N 359.420 4.175 0 40 FIAB C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1ccsn1 618238978 NYFXPUYXHWTOIT-MRXNPFEDSA-N 370.396 4.279 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2c(C3CCC3)cnn2C)c1 619245242 ZWDCSZSLRZCQSP-MRXNPFEDSA-N 369.509 4.203 0 40 FIAB Cn1cc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)c(C2CCCCC2)n1 676219152 TXDORFSBLKPNJI-IBGZPJMESA-N 366.509 4.185 0 40 FIAB CO[C@@H]1CCCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)C1 96122444 MSTXCNZDFMIZGO-HXUWFJFHSA-N 370.518 4.174 0 40 FIAB O=C(Nc1ccccc1F)Nc1ccccc1Cc1nc(C2CC2)no1 96119608 OIHDAESXDKJMRZ-UHFFFAOYSA-N 352.369 4.321 0 40 FIAB CO[C@](C)(CNC(=O)c1ccc2ncsc2c1)c1cccc(Cl)c1 96392492 ZWJZIGUSFOEHJR-GOSISDBHSA-N 360.866 4.241 0 40 FIAB COc1ccc(C(=O)[C@H](C)OC(=O)c2c(C)c(C)nc3ccccc23)cc1 11565677 CWGKAFCITDGMRT-HNNXBMFYSA-N 363.413 4.288 0 40 FIAB COc1ccc(-c2cc(CNC(=O)c3c(F)cccc3Cl)no2)cc1 12637874 PGDKHBRZNASOEJ-UHFFFAOYSA-N 360.772 4.073 0 40 FIAB CCOc1ccc(NC(=S)NCc2ccc(OCC)c(OCC)c2)cc1 13754919 MEMPGEUGKAJJDH-UHFFFAOYSA-N 374.506 4.369 0 40 FIAB Cc1cccc(CC(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 19234654 XXKKFLCNTHXKFH-UHFFFAOYSA-N 367.474 4.055 0 40 FIAB Cc1cc(C)n(CCCC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 19574220 KCMUUPMDVGVAPB-SCPDWHHUSA-N 365.521 4.369 0 40 FIAB C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccccc3)n2)[C@@H](c2ccco2)C1 154060124 CWOZDYBEFCMQGW-NVXWUHKLSA-N 350.422 4.470 0 40 FIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 6395035 FIMGWBNPRDSFGN-JCAJYURWSA-N 363.486 4.340 0 40 FIAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc2ncsc2c1 8919525 UHJVUDWYGPWDLN-UHFFFAOYSA-N 374.849 4.041 0 40 FIAB CCc1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCOCCO2 643563796 WDEYEUQOYJGGPC-UHFFFAOYSA-N 365.517 4.461 0 40 FIAB Cc1nc([C@H]2CCCCN2C(=O)c2cccc3c2ccn3CC(C)C)no1 683621948 PISFBGVQYRUGOU-LJQANCHMSA-N 366.465 4.356 0 40 FIAB Cc1sc2ncnc(SCC(=O)NCCCc3ccccc3)c2c1C 3274664 LZEHYKBTOKOWJM-UHFFFAOYSA-N 371.531 4.149 0 40 FIAB CC1CCN(Cc2csc(NC(=O)CCc3ccccc3F)n2)CC1 22291718 CKOZWSPDGKVBDB-UHFFFAOYSA-N 361.486 4.085 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)cc1 4033189 XVMQSVDXTUZCML-UHFFFAOYSA-N 372.428 4.356 0 40 FIAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)cc1 5055688 GJAKVWANKGPJSV-UHFFFAOYSA-N 372.490 4.028 0 40 FIAB COc1ccc(-c2nc(C)c(CCNC(=O)c3ccccc3)s2)cc1 16992137 GHMSPFPONAOVQG-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB Cc1ccccc1-n1cc(-c2ccccc2)c2c(N3CCOCC3)ncnc21 21798026 ZRQOLWHKUKVAJR-UHFFFAOYSA-N 370.456 4.233 0 40 FIAB COc1ccc(C(=O)N[C@H](C)c2cc(C)sc2C)cc1OC(F)F 40121091 NJBPKFIMCLXBHN-SNVBAGLBSA-N 355.406 4.466 0 40 FIAB COc1cccc(CNC[C@](O)(c2ccccc2)c2ccc(Cl)cc2)c1 20219120 CUBPAPUSVWSTSY-QFIPXVFZSA-N 367.876 4.374 0 40 FIAB CC[C@@H](Sc1nnc(C)s1)C(=O)Nc1ccc(Br)cc1 679538 FSZJWKCFTVGQEE-LLVKDONJSA-N 372.313 4.118 0 40 FIAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 852707 MLJBOPMJMWOBPU-BBITVKMKSA-N 365.432 4.392 0 40 FIAB biogenic C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 1080311 ABSVVNAXUBJWAN-MLGOLLRUSA-N 363.335 4.268 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2OC(F)F)cc1C 1266175 TYORGCTWVSVTAC-UHFFFAOYSA-N 350.390 4.032 0 40 FIAB CCN(CC)CCSc1nc2ccccc2c(=O)n1-c1ccccc1C 1301812 RNAVTKGXSJUHNP-UHFFFAOYSA-N 367.518 4.128 0 40 FIAB O=C1CCCCC[C@H]1Cc1cc(O)c(C[C@@H]2CCCCCC2=O)cc1O 1570278 SAIVAXSJCXPLEJ-HOTGVXAUSA-N 358.478 4.482 0 40 FIAB O=C(Nc1ccc(Cl)cc1)O[C@@H](C(=O)c1ccccn1)c1ccccn1 1733364 MKGNOXNBEADOJF-GOSISDBHSA-N 367.792 4.303 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC(C)C 1945564 ZYPOBDMAQKIFDC-WUXMJOGZSA-N 368.433 4.093 0 40 FIAB O=C(CSc1ncnc2c1oc1ccccc12)OCc1ccccc1 2498434 GYUBMYDXGKDAHS-UHFFFAOYSA-N 350.399 4.212 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 3621432 ZLMGNXQKZBZYSV-UHFFFAOYSA-N 355.394 4.160 0 40 FIAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@H](C)C(C)(C)C 4189546 LKUDAXGZLFUSRT-RDTXWAMCSA-N 374.481 4.081 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1C(F)(F)F)C(=O)O 4241118 VJBNWHRFTFEEAZ-QGZVFWFLSA-N 373.371 4.102 0 40 FIAB CCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 4516182 QNDNZRCKNZDADH-UHFFFAOYSA-N 371.506 4.436 0 40 FIAB CCOC(=O)Nc1ccc2c(CSc3ccccn3)cc(=O)oc2c1 4835329 AIRJOOIJNZTVES-UHFFFAOYSA-N 356.403 4.049 0 40 FIAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@@H]1CCCc2ccccc21 6436730 IZSIVEMYOILCTO-GOSISDBHSA-N 369.486 4.134 0 40 FIAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc(O)cc1 7299170 DEIWEASZMBLORE-UHFFFAOYSA-N 369.421 4.100 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1F 7601306 RLZKNNOSFOOGTM-UHFFFAOYSA-N 372.469 4.355 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)CSc2ccccc21 8061304 VQJVKIBXGVGLCL-UHFFFAOYSA-N 360.866 4.116 0 40 FIAB O=CNCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 8642597 KXQWCYUIOWMBSA-UHFFFAOYSA-N 362.260 4.070 0 40 FIAB O=C1CCCc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 9111059 HGBKLDDZSZTUAY-UHFFFAOYSA-N 367.412 4.349 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2ccccn2)C1=O 11334734 ZJVOULRYWRDOJN-OAHLLOKOSA-N 360.866 4.049 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)cc2)ns1)c1cccs1 11914193 NXTIPQQIIOQLAP-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB CC(C)n1c([C@H](C)NC(=O)Cc2cccc(Cl)c2)nc2cccnc21 12114087 POTUUMPEQRNEHM-ZDUSSCGKSA-N 356.857 4.086 0 40 FIAB CCCn1ccnc1SCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 12601652 BMHSAPKXHVZMDM-ZIUDEIKKSA-N 361.555 4.106 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CCNC(=O)c1ccccc1Cl 12807632 RLPIBHLEKQEXGV-MRXNPFEDSA-N 372.896 4.287 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCCC3=CCCCC3)c12 12878172 HNKOICPYSYVKMV-UHFFFAOYSA-N 351.406 4.412 0 40 FIAB COc1ccc2cc(-c3nc(-c4ccccc4Cl)no3)c(=O)oc2c1 12948406 VAZVFMVMVRWBKA-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB Cc1ccc(OCCN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 12983064 AYHSKIRFXBQWKF-UHFFFAOYSA-N 351.446 4.229 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cc(F)ccc2Br)c(C)c1 12988570 VZXJIJRMEGOXIJ-UHFFFAOYSA-N 350.231 4.477 0 40 FIAB CN(Cc1ccsc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 13007282 SUGWXJGAFXEGQF-UHFFFAOYSA-N 356.472 4.334 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccsc1 13011258 WIVFTZNWYHXPMG-HXUWFJFHSA-N 350.487 4.448 0 40 FIAB O=C(NCc1ccccc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 13608686 RAIQMZGYBPMHLR-UHFFFAOYSA-N 373.460 4.066 0 40 FIAB O=C(OCc1csc(-c2cccs2)n1)c1cc2ccccc2c(=O)[nH]1 14140631 CIIKQSAUSOVTAM-UHFFFAOYSA-N 368.439 4.070 0 40 FIAB COc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1 14258381 SAZVYWFGFFUZPQ-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 15598707 WIIFFJSPTFCIEO-HXUWFJFHSA-N 364.445 4.021 0 40 FIAB O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1CN1CCCCC1 16383667 KWNFFALSFBDKBR-ZROIWOOFSA-N 371.289 4.473 0 40 FIAB CCCOC(=O)c1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)o1 18044984 WJNRDVAYSMVLKM-UHFFFAOYSA-N 357.362 4.191 0 40 FIAB biogenic Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCCCC(=O)O 20721593 WMKIWAYNXOSSJV-UHFFFAOYSA-N 366.870 4.147 0 40 FIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc(Cl)ccn1 22574075 WTRNSMBPBCPDPA-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB COc1cccc(-c2nc(C(=O)Nc3ccccc3C)cs2)c1OC 23080893 QPJBHZPOYUVVFR-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB c1csc(Cc2n[nH]c(Sc3ncnc4c3oc3ccccc34)n2)c1 23618270 CXCXMIRDDYUXNE-UHFFFAOYSA-N 365.443 4.298 0 40 FIAB NC(=O)Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 24468083 YIWAJTZZRWAVDO-UHFFFAOYSA-N 371.487 4.143 0 40 FIAB CCc1ccc([C@@H](CNC(=O)c2ccc(CSC)cc2)N(C)C)cc1 27596281 ORPRHZIOHVGVIC-HXUWFJFHSA-N 356.535 4.145 0 40 FIAB CSCc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1 33023417 OAHLSAQQXRPVJY-UHFFFAOYSA-N 360.567 4.468 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@@H](c1ccccc1)c1ccccn1 36074576 ORCIKQULEUBRCJ-IBGZPJMESA-N 352.821 4.263 0 40 FIAB CN1CCN(c2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2)CC1 36149633 GWGBHKVWZYRJNP-UHFFFAOYSA-N 371.912 4.053 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cc(=O)c(OCc2ccccc2F)co1 36356887 JTKOPCPBRLMKLV-UHFFFAOYSA-N 373.767 4.264 0 40 FIAB COC(=O)c1cc(Nc2cc(OC)cc(OC)c2)c2cc(C)ccc2n1 38486810 KKMYPSXRFRMFSW-UHFFFAOYSA-N 352.390 4.091 0 40 FIAB Cc1nc2cc(NC(=O)C3(c4ccccc4)CCOCC3)ccc2s1 38488782 FEWLJPNEZZRYRW-UHFFFAOYSA-N 352.459 4.292 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 38752157 KHGCPWNLZOFSMJ-LJQANCHMSA-N 355.434 4.276 0 40 FIAB C[C@H](N[C@H](C)C(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc12 40161205 JDHMXZAOLPAMAT-LSDHHAIUSA-N 362.429 4.246 0 40 FIAB Cc1ccc(S(=O)(=O)N(Cc2ccsc2)Cc2ccco2)cc1C 44225649 UXWAKTIUGGJRCE-UHFFFAOYSA-N 361.488 4.349 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(C)c1C 44900820 ONYJUIDMJSDYAR-SFHVURJKSA-N 355.478 4.218 0 40 FIAB CC(C)COc1ccccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 48290803 JQUOASRNWGJMQV-UHFFFAOYSA-N 353.397 4.299 0 40 FIAB CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 50547881 HQMAFFMQYDAZAF-PTNGSMBKSA-N 357.435 4.220 0 40 FIAB Cc1nc2ccccc2nc1COC(=O)c1cc(C2CC2)nn1C(C)(C)C 51372063 NVTVMGZKBGRKHD-UHFFFAOYSA-N 364.449 4.124 0 40 FIAB CCOc1ccccc1NC(=O)CS[C@@H](C)c1nc(C(C)(C)C)no1 56257319 ASTGSSUKVYPAJX-LBPRGKRZSA-N 363.483 4.199 0 40 FIAB Cc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c(Br)c1 59423305 LIJIZQWIWSKNQQ-MRXNPFEDSA-N 359.223 4.214 0 40 FIAB CCOc1ccccc1CNC(=S)Nc1cccc(Br)c1 64893329 ORKQLORYOXNUBC-UHFFFAOYSA-N 365.296 4.334 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c(OC)cc1Cl 64982494 ZZZIYEGVCRTJLM-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB Cc1ccc(CNC(=O)CNc2ccc3c(c2)Cc2ccccc2-3)cc1F 71877750 DFBBYAKJAWEJID-UHFFFAOYSA-N 360.432 4.434 0 40 FIAB CCOc1cccc(C(=O)NCCc2c(C)[nH]c3c(C)ccc(C)c23)c1 72265345 XRWOXGDLMYQFCL-UHFFFAOYSA-N 350.462 4.464 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 72328892 BPMIDQQDUCOYRT-LBPRGKRZSA-N 355.825 4.230 0 40 FIAB CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1NCc1cccnc1 72343183 QZGRPZYHXLZUCP-NRFANRHFSA-N 363.486 4.249 0 40 FIAB Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O 78899956 PGNYVKIKKQZFSW-UHFFFAOYSA-N 365.760 4.174 0 40 FIAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1csc(C2CC2)n1 87356112 JUNZPDSDAQDGBH-SNVBAGLBSA-N 356.426 4.041 0 40 FIAB CCOc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1OCC 95095777 ZMDQMDMMWGVSFJ-UHFFFAOYSA-N 360.435 4.175 0 40 FIAB CC1CCN(CCc2cccc(NC(=O)c3cc(C(C)C)nn3C)c2)CC1 95455900 CWTZBTJDFCJDJF-UHFFFAOYSA-N 368.525 4.070 0 40 FIAB Cc1ccc(CNC(=O)c2cc(-c3ccn(C(C)C)n3)n3ccccc23)o1 96154707 KBZGCDOMGWDNOR-UHFFFAOYSA-N 362.433 4.215 0 40 FIAB COc1ccc2[nH]c(SCC(=O)O[C@H]3C[C@@]4(C)CC[C@H]3C4(C)C)nc2c1 102525344 BBPHOMDXYGSYBC-JOTOCRJQSA-N 374.506 4.422 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 219024190 SGISYWPYXIYUPN-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225317349 UCQSHFHNTZJLJS-LJQANCHMSA-N 353.462 4.355 0 40 FIAB COc1ccc(N(C)C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 225914860 FCANNNHVSQVBSE-UHFFFAOYSA-N 362.433 4.122 0 40 FIAB Cc1ccc2oc(=O)c(C(=O)Nc3cccc(Br)c3)cc2c1 226036498 VPTHDEKPMNRTLT-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB CCC[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 226774396 XEZPPEPJRCQGOV-UHFFFAOYSA-N 351.655 4.343 0 40 FIAB O=C(Nc1c(O)cccc1O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 226794774 IMUXNJDNVAMRIG-UHFFFAOYSA-N 353.418 4.411 0 40 FIAB CCOc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257262697 LMMDIIMUEWZUHC-XUKPVSMISA-N 357.494 4.104 0 40 FIAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2C)c1 408616038 VBCAZEJSWITREM-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB CC(C)C(=O)NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 408627116 KIXANPZERYRAOQ-UHFFFAOYSA-N 374.853 4.012 0 40 FIAB COc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1 408628139 PZCSOPPIRXFDKM-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCc1cncc(F)c1 540434327 XUHZAKIPBNRWOK-OAHLLOKOSA-N 358.457 4.035 0 40 FIAB O=C(NCc1ccc(Oc2ccccc2)nc1)c1cnc2ccccc2c1 573587683 RSJKMFMUGVZAHU-UHFFFAOYSA-N 355.397 4.352 0 40 FIAB CC(C)c1csc([C@H]2CCCN([C@@H](C(=O)O)c3ccccc3F)C2)n1 652424891 JYPUQIOMFHOTQD-SUMWQHHRSA-N 362.470 4.411 0 40 FIAB C[C@H](CC(=O)N1CCCc2cccnc21)c1ccc(Br)cc1 653971058 LFKSLCFLTVKNIT-CYBMUJFWSA-N 359.267 4.317 0 40 FIAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 20442842 GFOFXQXMRNMTAV-KRWDZBQOSA-N 371.820 4.112 0 40 FIAB O=C(c1ccc(CN2CCCC2)cc1)c1ccc(Br)cc1F 2514579 JVSKUOXAVUUJDZ-UHFFFAOYSA-N 362.242 4.415 0 40 FIAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1F 3500544 OBNPMQXWBKHJQG-SECBINFHSA-N 356.180 4.317 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](C)C[C@@]21C 4217176 IWSXBCZCPVUWHT-VIFKTUCRSA-N 372.505 4.265 0 40 FIAB in-man Cc1cc(S(=O)(=O)NCc2ccc(-c3ccccc3F)o2)ccc1F 46086515 KHGYTAXVGJDWQI-UHFFFAOYSA-N 363.385 4.012 0 40 FIAB COCCCNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6126479 ZTBHGAQAKUOARW-UHFFFAOYSA-N 354.837 4.322 0 40 FIAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCc2ccccc21 6589631 HXFZESGFUPCCKH-UHFFFAOYSA-N 372.799 4.435 0 40 FIAB CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 6965131 LVIIQBQAKZEHHH-LDADJPATSA-N 367.426 4.005 0 40 FIAB CCCCCOc1cccc(OCC(=O)Oc2ccc(C(C)=O)cc2)c1 7261539 PMZXZVBKUVSFNL-UHFFFAOYSA-N 356.418 4.443 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](c2ccc(C)cc2)c2cccs2)cc1 7702376 XJWACIYVVVGAKT-IBGZPJMESA-N 373.499 4.133 0 40 FIAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 7882281 LAQRUUVHFKUCGI-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB COc1ccc(N(CC(=O)c2ccc(C)cc2)C2=NCCCS2)cc1 8411406 ISGFFPSPNLEIOB-UHFFFAOYSA-N 354.475 4.186 0 40 FIAB CCOc1ccc([C@H](NC(=O)c2ccc(C)nc2)C(C)C)cc1OCC 32899054 FOZPHXJCWHFSOX-HXUWFJFHSA-N 356.466 4.315 0 40 FIAB CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)Cc2ccccc21 83881724 JXZJDKRIILEYOA-UHFFFAOYSA-N 367.456 4.148 0 40 FIAB COc1ccc(-c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)cc1OC 102708822 YTCZPQHYJSVNQK-UHFFFAOYSA-N 361.401 4.095 0 40 FIAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 809530 ZNMXZONNQREDDI-UHFFFAOYSA-N 373.368 4.179 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1(C)C 1427359 UWCMSFXIYASZKA-PKOBYXMFSA-N 354.494 4.490 0 40 FIAB COc1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c1 28305924 UIEHRGZXQGLUPA-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB Cc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(Cl)c1 2094521 KNSLSGKELLECMR-UHFFFAOYSA-N 357.793 4.081 0 40 FIAB biogenic Cc1cccc(-c2noc(CNC3(c4noc(C)n4)CCCCCC3)n2)c1 58166844 YCXDIKOWBMKYHU-UHFFFAOYSA-N 367.453 4.076 0 40 FIAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccc2ccccc2c1 10128606 BJKBYGBSJPVYSK-INIZCTEOSA-N 350.437 4.116 0 40 FIAB CC(C)(C)c1ccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1 17193720 OVBQPHBFRGQSIE-UHFFFAOYSA-N 354.841 4.471 0 40 FIAB Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2C)cc1 10233090 JXFUARCEBQTNPX-KRWDZBQOSA-N 353.805 4.238 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 10285117 IOCVLPBLAUYBPJ-FOIQADDNSA-N 354.450 4.215 0 40 FIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccc(Br)cc3)ccc2o1 12793262 ALZBHJOVNOGEKC-SNVBAGLBSA-N 374.238 4.338 0 40 FIAB CCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 10629184 PHPRZQMKHOXYKE-IBGZPJMESA-N 369.490 4.041 0 40 FIAB C[C@@H](NC(=O)c1cc2ccccc2cc1O)c1ccc(-n2ccnc2)cc1 36329470 KZQPYBGHZSPWLF-OAHLLOKOSA-N 357.413 4.222 0 40 FIAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)o1 3474832 BBCRZGSYPSUFCT-UHFFFAOYSA-N 373.503 4.327 0 40 FIAB FC(F)(F)c1nnc2ccc(N[C@H](c3ccc(Cl)cc3)C3CC3)nn12 12923280 MJWNDYLMRYVRDY-AWEZNQCLSA-N 367.762 4.360 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)nc3)sc2C)cc1 3560625 ZZOIXWHZYIKMGF-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)ccc2ccccc12 5023872 PMZLVJMLGWNNPG-QFIPXVFZSA-N 372.424 4.463 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3ccc([S@@](C)=O)cc3)cn2)cc1 65492489 ITZWTTJWTICBHJ-SANMLTNESA-N 366.442 4.172 0 40 FIAB COC(=O)CCc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)o1 14162100 KGPCOCOSJHXTCF-ZRDIBKRKSA-N 355.434 4.469 0 40 FIAB Cc1cccc(-c2nnc(CSc3nnc(-c4ccccc4)n3C)o2)c1 14197574 HNVBFBKYCNQTDZ-UHFFFAOYSA-N 363.446 4.133 0 40 FIAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccco3)n(C)c2=S)cc1 14159007 GXPKPIVEKKRDIU-INIZCTEOSA-N 370.478 4.014 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)COc1ccc2ccccc2c1 5406331 ORTNOCMHYZZPNB-UHFFFAOYSA-N 362.454 4.487 0 40 FIAB COc1ccccc1/C=C/c1nn2c(-c3ccccc3OC)nnc2s1 4664940 DKVJJYZBIAUPHP-VAWYXSNFSA-N 364.430 4.040 0 40 FIAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)cc1Cl 6811387 SVVLCVFNKVSYAG-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)/C=C/c1ccco1 7596665 HTZQKIONDOCRFF-MDZDMXLPSA-N 371.824 4.433 0 40 FIAB C[C@@H](O)c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 7540998 PDSVHZRPUVFCPV-CQSZACIVSA-N 351.402 4.018 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1 7595420 FNSVXBBZPPHDFY-GOSISDBHSA-N 358.869 4.420 0 40 FIAB CC1(C)CN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CCO1 68182568 HPMMHJCAJCUHBE-UHFFFAOYSA-N 371.289 4.368 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)O 8906122 AGOYTOAZFUPQRF-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB COc1ccc(OC)c(C(=O)/C=C/c2ccc(Br)s2)c1 7744889 NIFAAYHYJAHHRZ-GQCTYLIASA-N 353.237 4.424 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 9478684 RPJLHUNXIMAMTF-HXUWFJFHSA-N 354.837 4.393 0 40 FIAB C[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1csc(-c2ccccc2)n1 71801172 XFBHGVJKQAIWNP-PWECECGKSA-N 370.499 4.086 0 40 FIAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1 9817860 BLZYQZGNGUZZPI-UHFFFAOYSA-N 371.487 4.255 0 40 FIAB O=C(NCC(F)(F)F)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 84421922 NMUULQIIHFTRAM-UHFFFAOYSA-N 371.790 4.087 0 40 FIAB CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CCO1 95450724 PFGJXLHOKXEUTO-HOCLYGCPSA-N 361.873 4.054 0 40 FIAB C[C@@](O)(Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1)c1ccccc1 95468593 HGZWVZWIPOABIQ-JOCHJYFZSA-N 373.412 4.374 0 40 FIAB CCc1onc(C)c1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 89393256 QDSLWELLAOLKKR-OAQYLSRUSA-N 361.445 4.288 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cccc(OC(C)C)c2)c(OC)c1OC 408563161 JTTMOUCDYPXFBP-ZRDIBKRKSA-N 371.433 4.152 0 40 FIAB Cc1ccc(OCCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)c1 32795915 ABWBCALPXRCAMQ-UHFFFAOYSA-N 352.434 4.060 0 40 FIAB CCS(=O)(=O)Cc1noc(-c2ccc(-c3cccc(C(C)C)c3)o2)n1 546507654 DLNLJDKOGCPSAA-UHFFFAOYSA-N 360.435 4.055 0 40 FIAB O=C(c1cc2occc2n1Cc1ccc(Cl)cc1)N1CCSCC1 36366213 ITFZYSBASGVRSL-UHFFFAOYSA-N 360.866 4.125 0 40 FIAB O=C(CCNc1cccc(Br)c1)c1cc2ccccc2oc1=O 55142513 KQXDJXGBXSYTIP-UHFFFAOYSA-N 372.218 4.240 0 40 FIAB biogenic,in-vitro Cc1ccc(-c2csc(-n3c(NC(=O)c4ccco4)cnc3C)n2)cc1 32616146 UJGNKXHEZNCOML-UHFFFAOYSA-N 364.430 4.458 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1 33915790 XMMZPGMMIGHBNU-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB COc1cccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 515368202 JDJUMNLQVVWSMN-LBPRGKRZSA-N 355.825 4.230 0 40 FIAB CCOc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3C)no2)cc1 35316271 XBGDDYKEROPVQX-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 219609199 MRXSFMKYEPHABK-GOSISDBHSA-N 372.852 4.263 0 40 FIAB COc1ccc(OCCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 75244853 GQNYWCBXDIEHLD-UHFFFAOYSA-N 367.489 4.336 0 40 FIAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224949657 QCIDZIXBHTXYKG-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC(Cc2ccccc2)CC1 44900113 WUAQNQKZGRAOIX-QFIPXVFZSA-N 367.489 4.334 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 225575124 HSTGKOZHBGTYMX-SFHVURJKSA-N 366.505 4.418 0 40 FIAB COc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2F)nc1 224291172 OVVMPMOJTHIXDZ-UHFFFAOYSA-N 354.341 4.061 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)COc2ccccc2OC)c2ccccc2O1 224266347 IEXPGAZRKBBQPU-QGZVFWFLSA-N 369.461 4.273 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c(C)c1 225773381 YKXJCSGFUCWQOT-IBGZPJMESA-N 361.507 4.378 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c(C)c1 224422838 DYGQRFPAWSZCCO-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2cccc(Br)c2)cc1N 226266807 PFADCYYBYRRZTC-UHFFFAOYSA-N 362.271 4.130 0 40 FIAB COC(=O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226328885 CPIVBBBTDDBGAY-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB Cc1ccc(CN(c2cccc(C)c2)S(=O)(=O)c2ccc(N)cc2)cc1 225312050 DCEMNMREZLPFIK-UHFFFAOYSA-N 366.486 4.281 0 40 FIAB CC(=O)NCCCCC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 575442945 KOXXVNXNKDCCNJ-MRXNPFEDSA-N 365.905 4.280 0 40 FIAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224415449 YTWJVCKQQLANJS-OALUTQOASA-N 366.465 4.219 0 40 FIAB CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)c1 225527336 BTBQICKNMKNELS-JOCHJYFZSA-N 367.489 4.438 0 40 FIAB CC[C@](Cl)([C@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96520681 PBNDRRSGGLQXSZ-QZTJIDSGSA-N 352.883 4.167 0 40 FIAB CCN(c1ccccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 97053286 FVHOKACQSIFTDA-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CC1(c2ncc(Cc3ccccc3F)o2)CCN(C(=O)C2CCC2)CC1 257296696 RDZOZZIVLNSVLN-UHFFFAOYSA-N 356.441 4.085 0 40 FIAB COc1ccc(-c2c[nH]c(CNC(=O)/C=C/c3ccccc3Cl)n2)cc1 85557915 RHDIXCSDSLXIBS-DHZHZOJOSA-N 367.836 4.068 0 40 FIAB CCCNC(=O)c1cccc(CNC(=O)c2ccc3c4c(cccc24)CC3)c1 614007350 FNKRRWVUIIEFIZ-UHFFFAOYSA-N 372.468 4.008 0 40 FIAB CC[C@@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 585109725 LSPBCQSUEQQENG-XPKQXGJGSA-N 352.478 4.134 0 40 FIAB COc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1OC 728549 FVDNCKMVAYLMSI-WQRHYEAKSA-N 359.381 4.202 0 40 FIAB CC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134108 BKGHSZULQDBVBU-QGZVFWFLSA-N 352.478 4.003 0 40 FIAB CCn1c(N2CCC(C(=O)Nc3ccccc3F)CC2)nc2ccccc21 12221314 AFLMXUDWDSUGQJ-UHFFFAOYSA-N 366.440 4.050 0 40 FIAB COc1ccc(CNCC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1 13756204 RTMYNEJVZJZFHI-MZLICYQSSA-N 366.549 4.473 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 15372984 ZYQHIXWFYSCQPL-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3F)c2)cc1Cl 15883191 JXHUBKKGUQKDRV-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Fc1ccc([C@H]2CN[C@@H]3CCCN(Cc4ccc(Cl)c(F)c4)[C@H]23)cc1 19336377 KXLIYAQOQYJBSZ-NSISKUIASA-N 362.851 4.338 0 40 FIAB O=S(=O)(N[C@@H](c1cccs1)C1CC1)c1cccc(Cl)c1Cl 10683111 ZDGPWXBTAXUXHL-CQSZACIVSA-N 362.303 4.485 0 40 FIAB Cc1cc(C)cc(N2C(=O)N(CC3CCC3)c3ccccc3S2(=O)=O)c1 1889098045 APCFUSCOCQMUQA-UHFFFAOYSA-N 370.474 4.239 0 40 FIAB CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ccncc3)CC2)cc1 240067732 SAHUIQNNVZWHBI-UHFFFAOYSA-N 370.518 4.195 0 40 FIAB COc1ccccc1Nc1nc(Nc2ccccc2C)c2cnn(C)c2n1 4272750 VYJARPHJBXKTCX-UHFFFAOYSA-N 360.421 4.168 0 40 FIAB CN(C)CCCN(C(=O)c1cccs1)c1nc2c(F)cccc2s1 4359760 FOQIOLDPQOOSKB-UHFFFAOYSA-N 363.483 4.095 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1Cl 5268837 IHYHDATXQAKGMJ-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB O=C(CSc1nccn1Cc1ccccc1Cl)NC1CCCCC1 11027562 GCFHXGUGNZRZIH-UHFFFAOYSA-N 363.914 4.126 0 40 FIAB CCc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)O)c3n2)s1 20349738 MSRYKBZFXXPDJU-UHFFFAOYSA-N 369.368 4.134 0 40 FIAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC(C)CC3)c(O)n2n1 22853313 LOCMKURUYDFYQO-INIZCTEOSA-N 374.485 4.019 0 40 FIAB O=C(NCc1cccnc1-c1ccsc1)c1cc(-c2ccccc2)n[nH]1 225646372 XCTPZGDHIRMTEQ-UHFFFAOYSA-N 360.442 4.130 0 40 FIAB COc1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 23235106 CZVOHHRSBYKOIJ-UHFFFAOYSA-N 351.406 4.248 0 40 FIAB C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccncc1 40049883 FENWRVQPPJDMQO-CYBMUJFWSA-N 355.488 4.321 0 40 FIAB CCCc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 815577 UULQKOZOWJTXOY-UHFFFAOYSA-N 351.431 4.367 0 40 FIAB O=C1[C@H]2CS[C@@H](c3ccccc3F)N2C(=O)N1c1ccc(Cl)cc1 2266885 BWGGJIWIMAYKAY-ZBFHGGJFSA-N 362.813 4.062 0 40 FIAB O=C(O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 2419701 BNSZEIKEMYRUBM-UHFFFAOYSA-N 373.412 4.344 0 40 FIAB O=C(O[C@H]1CCCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1 2639976 UWXLBDSKJCCKRF-FQEVSTJZSA-N 360.413 4.208 0 40 FIAB O=C(COc1cc(Cl)c(Cl)cc1Cl)NCc1cccs1 2644943 ISMFJMPXBRWIQE-UHFFFAOYSA-N 350.654 4.404 0 40 FIAB O[C@H](c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1 2659563 WNLSGAAZWQWYGD-HXUWFJFHSA-N 358.397 4.397 0 40 FIAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(O)cc1 3530715 HZJUCDQXHCIMDG-LJQANCHMSA-N 365.360 4.068 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 3881620 IQCNQJXIOWBNAT-KBGGNQAYSA-N 374.521 4.201 0 40 FIAB biogenic O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 4156390 CPVAUVXVNODHPE-OGXIQJDLSA-N 355.743 4.060 0 40 FIAB C[C@H](CC(=O)Nc1nnc(CCc2ccccc2)s1)c1ccccc1 4696311 WWFLZTRCJMMDCE-OAHLLOKOSA-N 351.475 4.456 0 40 FIAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(NCc3ccco3)ncc21 4777128 MCZFJPKKHWRGIZ-CYBMUJFWSA-N 353.809 4.248 0 40 FIAB O=C(C[S@@](=O)c1ccccc1Cl)Nc1ccc(Cl)cc1Cl 5204415 WAUCLUQSANKZTK-NRFANRHFSA-N 362.665 4.393 0 40 FIAB CCn1c(SCC(=O)c2cc(C)n(CC)c2C)nnc1-c1ccoc1C 5364556 HCGZMPMIJRWKDD-UHFFFAOYSA-N 372.494 4.280 0 40 FIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccccc1F 5630705 XLHCXQLYGHYHFG-UHFFFAOYSA-N 353.393 4.146 0 40 FIAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccccc1 6177632 QFDWBCWQLLWOIH-UHFFFAOYSA-N 360.335 4.333 0 40 FIAB COc1ccc(C(=O)Sc2nccc(-c3ccc(OC)cc3)n2)cc1 6182096 OGWTUSYNFVTUTQ-UHFFFAOYSA-N 352.415 4.093 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1 6441070 BCYPHGILZMHIGH-UHFFFAOYSA-N 362.410 4.488 0 40 FIAB Cc1cc(C)cc(NC(=O)CSCC(=O)Nc2cc(C)cc(C)c2)c1 6850553 AUVQVCQGYJCYBT-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB Cc1nc(SCc2cc(=O)n3c(C)cccc3n2)n(C2CCCC2)c1C 7139911 FVIMWJSMHHFIPT-UHFFFAOYSA-N 368.506 4.224 0 40 FIAB CCN(CC(=O)NC(C)(C)C)Cc1cc2ccc(C)c(C)c2nc1Cl 7459830 ZOOKQEJLPLJCPZ-UHFFFAOYSA-N 361.917 4.242 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 7616112 KKHGYXBUPKCQLY-UHFFFAOYSA-N 370.792 4.327 0 40 FIAB O=C(/C=C/c1ccco1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8402272 QRZKOSCPWFJYIU-SOFGYWHQSA-N 367.426 4.359 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C(=O)[C@@H]2C1 8472573 JFZZKXJCEBEYSR-WOJBJXKFSA-N 374.440 4.093 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)N2C(=N1)Nc1ccccc12 8997400 SULUXNOQVLWZCC-IBGZPJMESA-N 365.408 4.394 0 40 FIAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)nc3Cl)ccc12 9421006 GECMYDBLTAWHKE-UHFFFAOYSA-N 350.157 4.022 0 40 FIAB Cc1ccc(C)c(OCCSCc2cc(=O)n3cc(Cl)ccc3n2)c1 9882233 YTICVVKNAYRARD-UHFFFAOYSA-N 374.893 4.277 0 40 FIAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9996093 ZXSIIDNISNEMNI-KRWDZBQOSA-N 352.459 4.211 0 40 FIAB O=C(Oc1ccccc1Cl)C1CCN(c2nc3ccccc3o2)CC1 11326878 GDTACVFTOMTBDC-UHFFFAOYSA-N 356.809 4.303 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@H](/C(C)=C/c2ccccc2)n2ncnc2N1 12289310 MFGJYTVUQLRNBJ-GUCAUAJOSA-N 371.444 4.261 0 40 FIAB CCOC(=O)c1cc2nc(-c3ccc(CC)cc3)cc(C(F)(F)F)n2n1 12395723 XXGZIWLGUJJNCI-UHFFFAOYSA-N 363.339 4.154 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 12775517 KLAHYAAZBRRQIU-KRWDZBQOSA-N 372.852 4.267 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 12787183 MQUJJIDPHTWSQI-NWDGAFQWSA-N 369.412 4.364 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3nccs3)c12 12795815 LRGJRGVJQRNAAS-UHFFFAOYSA-N 354.366 4.046 0 40 FIAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1nc2ccccc2s1 12899727 OKPLSRCCZJGBOC-NSHDSACASA-N 361.417 4.034 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 12995703 QAIGFICMGSGBNG-UHFFFAOYSA-N 354.431 4.373 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3Cl)CC2)c1C 13710050 CIJUCTOVEYKNFG-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB CC(C)N1COc2ccc3cc(-c4cc(F)cc(F)c4)c(=O)oc3c2C1 13730579 ZVDVVJVDNRMEIN-UHFFFAOYSA-N 357.356 4.299 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl 14093027 RUUZBFOCJNIOKB-UHFFFAOYSA-N 353.205 4.213 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3F)o2)cs1 14245215 KLYHKNPKUMAALG-UHFFFAOYSA-N 350.802 4.434 0 40 FIAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1cccs1)C3 14607783 QTMYSFZUPVUDDX-CQSZACIVSA-N 374.469 4.328 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2C)o1 15881373 BUGUPFBTLVHFHR-UHFFFAOYSA-N 360.417 4.201 0 40 FIAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(c2ccccc2)C1=O 17014393 MVWLTOBVXQLCOW-XMHGGMMESA-N 358.397 4.336 0 40 FIAB COc1cc(CN[C@@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC 17317288 CRKFBMLYCVMKHL-HNNXBMFYSA-N 355.478 4.442 0 40 FIAB Cc1ccc(-c2nnc(CNC(=O)c3cccc(C(F)(F)F)c3)o2)s1 19217936 DTCFKUXIMVYVPM-UHFFFAOYSA-N 367.352 4.055 0 40 FIAB CCCCc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)[nH]n1 19502353 KQLOSGXNAMOUJI-IBGZPJMESA-N 368.868 4.320 0 40 FIAB O=C(CSc1ccccn1)Nc1c(-c2ccccc2)nc2ccccn12 20102697 IRVSHFGPVQCGGM-UHFFFAOYSA-N 360.442 4.127 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSC1CCCCC1 20492785 KLISJWXMHPJYTM-SFHVURJKSA-N 351.512 4.035 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1c(Cl)cccc1Cl)CC(O)=N2 20730638 BGCKKPRCIVHSEK-SNVBAGLBSA-N 374.231 4.401 0 40 FIAB COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1 22260101 DPMFPCONKDIGSC-QFIPXVFZSA-N 371.440 4.020 0 40 FIAB CCCCSc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)s1 22490398 KTFCRBJCGXXKPO-NEPJUHHUSA-N 359.586 4.217 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2cccs2)c1 23434897 DGJIWBAURYJDMD-CYBMUJFWSA-N 356.447 4.423 0 40 FIAB C[C@H]1CCc2c(sc3ncn4nc(-c5cc(C(C)(C)C)n[nH]5)nc4c23)C1 24614196 OCWJBTPXZKJPSY-JTQLQIEISA-N 366.494 4.151 0 40 FIAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1F 27494200 YZADJTUTVBAGCJ-FQEVSTJZSA-N 362.404 4.326 0 40 FIAB O=C(Nc1ccccc1OC(F)F)c1ccc(OC[C@@H]2CCCO2)cc1 28701187 LVHNDLYIOSDKJO-HNNXBMFYSA-N 363.360 4.098 0 40 FIAB CCOc1ccccc1CNS(=O)(=O)Cc1c(Cl)cccc1Cl 30753052 FVENDLJQPGXOJQ-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB C[C@@H]1Oc2c(C(=O)Nc3nnc(Cc4ccccc4)s3)cccc2[C@@H]1C 32820153 PYGKQKULALZJAX-OLZOCXBDSA-N 365.458 4.266 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)Cc2noc3ccccc23)c(C)c1 32859956 VOFOVKWOQYGMHT-UHFFFAOYSA-N 360.417 4.120 0 40 FIAB Cc1nc2sc([C@@H](c3cccc(F)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 33692335 LCHHKAQCJBIDHU-MQIPJXDCSA-N 374.485 4.011 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(F)c2F)cc1 36358510 LXQIRSZBOCEHSN-CQSZACIVSA-N 355.344 4.283 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 40159531 LESLNBQDZZRTFF-ARFHVFGLSA-N 366.427 4.180 0 40 FIAB O=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/C=C/c3ccccc3)c12 40388481 AJPOFPNHIWRJLB-YDWXAUTNSA-N 358.445 4.035 0 40 FIAB Cc1cccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)c1C 41156742 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366.505 4.065 0 40 FIAB CSc1ccc([C@H](CNC(=O)C2CC2)N2CCc3sccc3C2)cc1 47042448 GLXBSMLSCMWYJR-SFHVURJKSA-N 372.559 4.096 0 40 FIAB C[C@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1 48344882 YNWCTBUAJPQZJT-AWEZNQCLSA-N 354.841 4.468 0 40 FIAB COc1ccc(CNc2nn3cc(-c4ccc(F)cc4)nc3s2)cc1 51127655 HUXMDASXAZLITM-UHFFFAOYSA-N 354.410 4.218 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc3c(c2)COC3)sc2c1CCCCC2 64390130 VWAHQDDZJVTLPF-UHFFFAOYSA-N 371.458 4.086 0 40 FIAB Cc1cc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](C)C2CC2)n(C)n1 71817382 NHYVZROYOOFPNU-LBPRGKRZSA-N 351.372 4.193 0 40 FIAB Cc1cc(Oc2ccccc2)nc([C@H]2CCCN2C(=O)c2cscn2)n1 72384071 ITTDNERETZBWEW-MRXNPFEDSA-N 366.446 4.011 0 40 FIAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN=C1c1ccccc1 72414417 YIIDNMHQZVAEDL-UHFFFAOYSA-N 368.502 4.185 0 40 FIAB C[C@H]1Cc2ccccc2N(C(=O)c2cccc(OCc3cccnc3)c2)C1 95351012 QYWPASMJXJSJNQ-KRWDZBQOSA-N 358.441 4.500 0 40 FIAB C[C@H](OC(=O)c1ccc2nc(N)sc2c1)c1ccc(OC(F)F)cc1 95376648 YHKZIBXVAIDGKE-VIFPVBQESA-N 364.373 4.398 0 40 FIAB CC(=O)c1ccc(O)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 95465019 HHELESNHIWSKQO-UHFFFAOYSA-N 361.397 4.426 0 40 FIAB Cc1noc(C)c1CN1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110593 MJUBNLIENVDITI-UNMCSNQZSA-N 354.494 4.151 0 40 FIAB Cc1ccc(CNC(=O)c2cc(-c3ccn(CC4CC4)n3)n3ccccc23)o1 96154721 RWXPJXUUNUDACG-UHFFFAOYSA-N 374.444 4.044 0 40 FIAB O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)c2c(ccc3nsnc23)N1 96232075 XMHKWWFVLINYJP-SNVBAGLBSA-N 365.336 4.064 0 40 FIAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cccc(Br)c1 96323986 NVSZQSKHYCEBLQ-UHFFFAOYSA-N 368.234 4.467 0 40 FIAB CN(Cc1cc(Br)ccc1OC(F)F)C[C@H]1CCCCO1 97493170 VWLCESDEJWMWIM-CYBMUJFWSA-N 364.230 4.051 0 40 FIAB c1ccc(COc2cccc(CN3[C@@H]4CC[C@@H]3c3cccnc3C4)c2)nc1 100198527 PERVUGLBHAGGGN-AUSIDOKSSA-N 357.457 4.317 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)n1 104118604 KRLUYWTXUUIGGD-WIRVQXDCSA-N 371.506 4.225 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1csc(-c2ccoc2)n1 108256159 UJSIOGNFIGRTGV-KRWDZBQOSA-N 355.463 4.499 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2)n1 109477341 OABAZUWMNPWCDP-JOCHJYFZSA-N 359.473 4.356 0 40 FIAB Cc1ccc(CN(C)S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 216301868 UTZCTYSKLUPPOH-UHFFFAOYSA-N 358.290 4.264 0 40 FIAB CC1(C)C[C@H](NC(=O)CSCc2ccc(F)cc2)c2ccccc2O1 219261533 DWCPDGJZSUEATC-KRWDZBQOSA-N 359.466 4.478 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223049926 BLILJDWOSJFRMC-FQEVSTJZSA-N 373.518 4.312 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cccc(C)c1C 223963830 OWCCOCMMFBOGBQ-IBGZPJMESA-N 355.478 4.273 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SC(C)C)s1 225878174 VBMDMQIVROXCKE-ZDUSSCGKSA-N 365.524 4.452 0 40 FIAB Cc1nccnc1[C@@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257267374 MGZZRWLWVIKGBS-NRFANRHFSA-N 373.456 4.487 0 40 FIAB CC(C)[C@H]1O[C@H]2c3ccc4c(c3OC(C)(C)[C@@H]2C[C@H]1C(=O)O)OC(C)(C)C4 257270540 MURDDUBZCZNFSM-KONPQCLYSA-N 374.477 4.374 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Cl)cc4F)OCC[C@@]31C2 257292703 QMPRBVOLLVHLLI-VLRUMRAESA-N 365.876 4.498 0 40 FIAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)O[C@@H]2CCC[C@@H]12 257336078 YNBJIZWLNAJXTO-RKTXRCNFSA-N 372.292 4.145 0 40 FIAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1)C1CC1 260816784 QGCZSMREDLHKSB-VGOFRKELSA-N 374.525 4.084 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 408702117 CMQAYCZKEOHHAH-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB FC(F)(F)CCOCc1nn(CCC(F)(F)F)cc1Br 408717026 UXTFBCWUEPCJIN-UHFFFAOYSA-N 369.103 4.067 0 40 FIAB Cc1ccccc1CCNC(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 532095761 NIWCGTQMNZTRGD-UHFFFAOYSA-N 372.468 4.244 0 40 FIAB CC(C)N(Cc1ccccn1)C(=O)NCCCc1c[nH]c2ccc(F)cc12 554649419 BSSWUJDDRQXOKD-UHFFFAOYSA-N 368.456 4.255 0 40 FIAB Cc1nc(CO[C@H]2CCN(c3ccnc4ccc(Cl)cc34)C2)cs1 585083220 CKOOJHSRWOJUJX-HNNXBMFYSA-N 359.882 4.449 0 40 FIAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1 608718007 PPVRBMPYYOTJTK-WCZJQEMASA-N 372.900 4.349 0 40 FIAB CC(C)CCc1ccc(NC(=O)N2CCC([C@@H]3CCCCO3)CC2)nc1 667210331 YPRHIORHSWUGNG-IBGZPJMESA-N 359.514 4.483 0 40 FIAB O=C(NCC(c1ccco1)c1ccco1)c1cccc(Br)c1 667397524 FFCVHGBMJYMRKQ-UHFFFAOYSA-N 360.207 4.197 0 40 FIAB CCCN(C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)Nc1cccc(Cl)c1 11165264 NLVZTIZBJGFTBQ-ZDUSSCGKSA-N 362.832 4.359 0 40 FIAB CCNC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 931885 MXRATKTWGSNELQ-UHFFFAOYSA-N 371.550 4.174 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1ccccc1)c1ccccc1 1377931 CCCVVZPBMVRSLG-PMACEKPBSA-N 363.461 4.034 0 40 FIAB CCOc1ccccc1C[C@H]1C(=O)N(C)c2ccc(Br)cc21 101014536 OQHCGCWCKWWMEL-OAHLLOKOSA-N 360.251 4.151 0 40 FIAB CCCCO[C@]1(c2ccc(C)cc2)NC(=S)NN=C1c1ccc(C)cc1 3266434 VCBPWDRLNQUGLN-NRFANRHFSA-N 367.518 4.155 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 4975555 GVIJXAGQFJBJRO-QVHKTLOISA-N 361.507 4.424 0 40 FIAB Cc1cc(C)cc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c1 8335699 QKVFTJIPYVEVNI-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2)c(F)c1 8414573 NQJMEBZKIPCVNG-UHFFFAOYSA-N 372.465 4.325 0 40 FIAB C/C=C/c1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccsc2)c(OC)c1 46089143 WSVMONBHLQEVIE-FBDDWCLBSA-N 373.518 4.367 0 40 FIAB Cc1cc(OCC(=O)N(Cc2ccco2)c2ccccn2)ccc1Cl 21524354 FIXXNDXYWXNSRI-UHFFFAOYSA-N 356.809 4.249 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1 2650816 IAVIHAUZIGOEDW-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)s1 32983642 SEUGMMWRBUVSGD-ZDUSSCGKSA-N 357.504 4.389 0 40 FIAB O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2633910 ZKCNFYXILVBSSV-GOSISDBHSA-N 367.788 4.028 0 40 FIAB CCCC[C@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1cc(C)on1 21809288 WHMHNDSTNDNQTJ-ZDUSSCGKSA-N 363.487 4.048 0 40 FIAB COC(=O)[C@@H](OC(=O)c1ccc(-c2cccs2)nc1C)c1ccccc1 21839583 BKSDASLWAZELRI-SFHVURJKSA-N 367.426 4.190 0 40 FIAB COC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948933 UKJIUOUWZXDNBT-AWEZNQCLSA-N 368.385 4.142 0 40 FIAB O=C(c1cccc(I)c1)c1ccc(Cl)c(F)c1 43210075 AZOWXRGPHMLUHB-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1cccc(OC[C@@H]2CCCO2)c1 26358537 XUZHBSRLXBDINA-HNNXBMFYSA-N 354.431 4.106 0 40 FIAB COCc1ccccc1NC(=O)CCCc1ncc(-c2ccccc2)o1 44551103 PPQHVVUPNNLFIR-UHFFFAOYSA-N 350.418 4.449 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)CCOc1cccc(Cl)c1 27159062 IBWADIKASVVRGS-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB Cc1cc(=O)oc2cc(OS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc12 2069664 KQMMOXWODUKFAY-UHFFFAOYSA-N 372.442 4.167 0 40 FIAB CCc1n[nH]c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 58018056 XOTXULJHXDBRMZ-CYBMUJFWSA-N 352.463 4.473 0 40 FIAB Cn1c(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 12558672 IIXARESIYOUZCY-CABCVRRESA-N 373.378 4.012 0 40 FIAB Cc1ccc(CN(C)[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)o1 12598771 QQXPWKDOJPVIDM-WCQYABFASA-N 371.506 4.204 0 40 FIAB Cc1cc(Cl)c(OCCSc2ncccn2)c(Br)c1 2191212 DEYUSYKEZMIUNH-UHFFFAOYSA-N 359.676 4.372 0 40 FIAB Clc1ccc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2c1 2311701 DESIZIOGJNEJEK-UHFFFAOYSA-N 369.900 4.219 0 40 FIAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(Br)c2)s1 12699809 QZTBPCVVQMYVJQ-UHFFFAOYSA-N 352.253 4.421 0 40 FIAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3F)ccc2c1 12762362 ZZTLAHOWFWCHAD-HNNXBMFYSA-N 366.436 4.447 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnc2ccccc2c1 12823724 USGDPGKFNLEDRL-OAQYLSRUSA-N 357.413 4.138 0 40 FIAB Cc1ccc(C)c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 8267004 WDLFEKFKDKJXLT-UHFFFAOYSA-N 368.521 4.355 0 40 FIAB COc1cc(OC)c(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1Cl 12905834 UXWNGGVJASOCBN-QGZVFWFLSA-N 363.866 4.321 0 40 FIAB C[C@@H](OC(=O)/C=C/c1c(F)cccc1Cl)C(=O)N(C)c1ccccc1 12908634 QFWMCYCIWOFDTE-XZHRJIJLSA-N 361.800 4.087 0 40 FIAB CCCCc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 8316606 DIOORTMFTXLQOB-SFHVURJKSA-N 354.475 4.471 0 40 FIAB c1ccc(-c2nc3c4c5c(sc4nc(N4CCCC4)n3n2)CCC5)cc1 13686807 SMDZMFMKBOZMMQ-UHFFFAOYSA-N 361.474 4.095 0 40 FIAB COc1ccccc1[C@H]1SCC(=O)N1c1cccc(C(F)(F)F)c1 17197984 BWRPCFLVVNBITI-MRXNPFEDSA-N 353.365 4.493 0 40 FIAB O=c1[nH]c(CN2CCc3ccccc32)nc2scc(-c3ccccc3)c12 6315823 MUOAIRMKDHQFKL-UHFFFAOYSA-N 359.454 4.214 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 6426628 WHIOYAHVXSQURY-UHFFFAOYSA-N 369.471 4.074 0 40 FIAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc4ccccc4o3)ccc21 14142314 BULLHBDWYZKRGQ-LBPRGKRZSA-N 366.442 4.100 0 40 FIAB COc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)cc2)cc1 4593165 TWTPGOLFZUKYGF-YKLJGAPNSA-N 363.413 4.023 0 40 FIAB CCc1cc(=O)oc2cc(OCC(=O)N(c3ccccc3)C(C)C)ccc12 5464274 KRJXUYABZICQTD-UHFFFAOYSA-N 365.429 4.176 0 40 FIAB Cc1ccsc1CN(C)Cn1nc(Cc2ccccc2)n(C)c1=S 14250451 UIRUBJGUHNQJHL-UHFFFAOYSA-N 358.536 4.001 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(OC(F)(F)F)cc1 8719764 GSFBTSUNNBNYSF-UHFFFAOYSA-N 363.339 4.136 0 40 FIAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 8747979 JFSMUMNHFUGSBZ-UHFFFAOYSA-N 365.408 4.069 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4)o3)C2=O)c1 4680724 MIZXONTYMBXGLN-CPNJWEJPSA-N 358.397 4.348 0 40 FIAB CCc1ccc(OCC(=O)N2CCCc3ccccc32)c(Br)c1 4689134 XWNUHGROMCKUBC-UHFFFAOYSA-N 374.278 4.370 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc(F)c(Cl)c1)C3 6658438 YJSBLWLZYYKPSY-UHFFFAOYSA-N 371.795 4.431 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1 5678767 IIDSRGRERJPZOW-UHFFFAOYSA-N 352.203 4.168 0 40 FIAB O=C(NCCc1ccco1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 8708722 AOMWQNYXADUDKF-UHFFFAOYSA-N 374.849 4.219 0 40 FIAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc2ccccc2c1 6886679 AKHJSAXBUMOOHC-ACCUITESSA-N 361.397 4.044 0 40 FIAB O=C(NCc1ccncc1)c1ccc(COc2ccccc2Cl)cc1 6898744 CWVJTTJVQCNMLH-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3)o2)cc1 4926394 UYIQLEMPILGOEU-CYBMUJFWSA-N 354.431 4.417 0 40 FIAB COC(=O)c1cc2ccccc2cc1OC(=O)COc1ccccc1Cl 7793558 FOVSSXIKCDNMCN-UHFFFAOYSA-N 370.788 4.264 0 40 FIAB Cc1ccc(F)cc1C(=O)N1CCN(Cc2csc3ccccc23)CC1 25997137 QBXKSYOQNKRTES-UHFFFAOYSA-N 368.477 4.307 0 40 FIAB O=C(COC(=O)c1cc(F)ccc1Cl)Nc1ccc(Cl)cc1F 72330125 PTPJDZRWWLSJEU-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 98068190 GRCLGQGZKIDECF-AWEZNQCLSA-N 356.466 4.440 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[C@@H](SC)C3)cs2)cc1 78934000 SBLRPMORYFTBHL-UKRRQHHQSA-N 362.520 4.175 0 40 FIAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ncoc1-c1ccco1 74503207 HBJJHCLGQNFVOD-UHFFFAOYSA-N 350.296 4.226 0 40 FIAB CCn1cc(-c2nnc(SCc3ccc(Br)cc3)o2)cn1 28579139 AGPQMZYBOTWIAX-UHFFFAOYSA-N 365.256 4.008 0 40 FIAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccco3)C2=O)cc1 409352110 WEHODRUMSJVPBI-MHWRWJLKSA-N 370.430 4.078 0 40 FIAB O=C(Nc1cccc(COCC2CC2)c1)c1cccc(NC(=O)C2CC2)c1 60104477 VBTUFSYZDHPRSU-UHFFFAOYSA-N 364.445 4.214 0 40 FIAB COC(=O)[C@@H](CNC(=O)Nc1cccc2ccsc12)c1ccc(C)cc1 501218570 PQSLITFFQXXZIT-INIZCTEOSA-N 368.458 4.288 0 40 FIAB Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218855 IFWJIZKWKXGPMC-FQEVSTJZSA-N 365.477 4.464 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)COc1ccccc1C 219376097 ZZAJHJZXISXKIW-RBUKOAKNSA-N 355.478 4.353 0 40 FIAB Cn1ccnc1-c1cnc(NCCc2ccccc2)nc1-c1cccs1 72340762 GYOPNJWAOYYUOU-UHFFFAOYSA-N 361.474 4.260 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72349104 BAGDPGWIOXBVKM-HXUWFJFHSA-N 357.457 4.087 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 219530418 HYYXCAYUJHXDMY-AEFFLSMTSA-N 353.462 4.489 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)s1 32550231 CHUSAJSRGMLYBM-SECBINFHSA-N 350.292 4.403 0 40 FIAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C)cc2)cc1OC 32115048 BIOXQRHYTJFHNH-UHFFFAOYSA-N 370.449 4.150 0 40 FIAB CCOCc1ccccc1CNC(=O)Nc1c(F)c(F)c(F)c(F)c1F 40096729 VCAWEYUZOGJTFH-UHFFFAOYSA-N 374.309 4.240 0 40 FIAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225962308 RSCGCGABEBDWRB-ZBFHGGJFSA-N 369.538 4.069 0 40 FIAB CCn1c(=O)c(C(=O)Nc2ccc(C)cc2Cl)c(O)c2sccc21 49409530 VGMKCGAZZWFPDN-UHFFFAOYSA-N 362.838 4.003 0 40 FIAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225818518 URHKKXOIYMYPOO-HXUWFJFHSA-N 365.470 4.040 0 40 FIAB COc1ccc(C2(C(=O)Nc3cnc(OC)c(C)c3)CCCCC2)cc1 225871442 IDMFDJZZATVPCT-UHFFFAOYSA-N 354.450 4.248 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)s1 223448131 DGTFUGSQDHYLOU-ZWKOTPCHSA-N 366.515 4.019 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(C(C)C)cc1)CCCC2 222611054 HCIAEAHQWMADAE-UHFFFAOYSA-N 359.491 4.498 0 40 FIAB O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1CCc1ccccc1 225261498 RVWDHPLNNWLWIL-FQEVSTJZSA-N 373.452 4.042 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Br)cc1 96586347 CBWYGOVCGADRIE-UHFFFAOYSA-N 360.251 4.345 0 40 FIAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccc(Cl)s1 253406074 UDMYKQFDJUEOCJ-OAHLLOKOSA-N 369.920 4.190 0 40 FIAB CC[C@@]1(C)C[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 256050947 HDQQRGWHJUCZND-VXKWHMMOSA-N 365.429 4.169 0 40 FIAB CCCNc1nc([C@@H]2CCCN2C(=O)CC2CCCC2)c2sccn12 257218413 DDBFICFYSJYSAY-HNNXBMFYSA-N 360.527 4.462 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cnnc(-c2ccccc2)c1 643923801 ANTQKDKTAIQNJE-NRFANRHFSA-N 360.461 4.240 0 40 FIAB CC1(C)[C@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1772717454 DCYJNPWHNSGCCX-IBGZPJMESA-N 365.429 4.121 0 40 FIAB c1cc(CN2CCCCC2)cc(-c2noc([C@H]3C[C@H]3c3cccnc3)n2)c1 109570105 RFQPRAKGHXRYIB-PMACEKPBSA-N 360.461 4.389 0 40 FIAB O=C(c1cc(Br)cs1)N(CCc1cccs1)C1CC1 96120306 FSXQHYOHKIDMOK-UHFFFAOYSA-N 356.310 4.419 0 40 FIAB Cc1nc([C@]2(C)CCCN(C(=O)c3ccccc3F)C2)c2sccn12 585182472 GHKJLWDAQSQZQO-LJQANCHMSA-N 357.454 4.037 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NCc1nc(C(C)(C)C)no1 69002918 KTSIDEGSCVYJDH-AWEZNQCLSA-N 370.497 4.160 0 40 FIAB Cc1cc(C(=O)N(C2CC2)C2CCN(Cc3ccccc3)CC2)c(C)o1 825303816 XTXZCVQJMULEOM-UHFFFAOYSA-N 352.478 4.166 0 40 FIAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1N1CCCC1=O 5439953 WYSINVHGEPXKNL-UHFFFAOYSA-N 374.440 4.293 0 40 FIAB CC[C@@H](C)NC[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5875301 DSOCMSSZHZEROG-HUIQTFQGSA-N 357.538 4.282 0 40 FIAB C/C=C/C=C/C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 12536018 ZRWXFSUDGNQBDB-UMCKCUICSA-N 370.474 4.175 0 40 FIAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccccc2Cl)no1 12769506 WRUSAZXMNDHXJO-LBPRGKRZSA-N 371.824 4.101 0 40 FIAB Cc1cc(NC(=O)CN[C@@H](C)c2cccc(Cl)c2)n(-c2ccccc2)n1 12799780 FYYZHPSQKHGWRQ-HNNXBMFYSA-N 368.868 4.123 0 40 FIAB CC(=O)Nc1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 14628177 ZGYGEFHSWZDYSG-UHFFFAOYSA-N 361.397 4.296 0 40 FIAB CCN(CC)C(=S)S[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 14915766 ANCAADMZXRFPKB-SNVBAGLBSA-N 360.932 4.036 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCC1(c2ccc(C)cc2)CCOCC1 16970518 OUMQBNTUVOYPPP-UHFFFAOYSA-N 373.880 4.135 0 40 FIAB O=C(NCCOc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 17850017 TWSKGHVVHDNSPS-UHFFFAOYSA-N 369.424 4.106 0 40 FIAB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1O 6324820 JQYWHCWTCFKJLS-OBHXIIETSA-N 368.886 4.143 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 33134259 RSOURNZEVBEKSP-MLGOLLRUSA-N 367.276 4.279 0 40 FIAB Cc1nn(CCNC(=O)c2cc3ccccc3[nH]2)c(C)c1-c1ccccc1 238876581 OETYFMFBYQPCDN-UHFFFAOYSA-N 358.445 4.078 0 40 FIAB Cc1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1 5269299 FXPYDUBTKAWAKY-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB COc1ccc(SCCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 10219548 SGSAJJQIRNMPTO-LBPRGKRZSA-N 362.520 4.397 0 40 FIAB Cc1ccc(SCCC(=O)Nc2nnc(Cc3cccs3)o2)cc1 13653501 LAQLVBYRNPCBKT-UHFFFAOYSA-N 359.476 4.151 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(F)cc2)o1 15881384 DEZNOYZYLWKCSQ-UHFFFAOYSA-N 364.380 4.032 0 40 FIAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1nc2ccccc2s1 35596689 GYRRDXKFTNNIQE-UHFFFAOYSA-N 360.442 4.223 0 40 FIAB O=C(c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12)N1CCCCC1 6342101 ADXYNDIBQSHJSV-UHFFFAOYSA-N 360.413 4.257 0 40 FIAB CC(C)CNC(=O)[C@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 31423802 CFSKGOPRKWALDS-LBPRGKRZSA-N 352.887 4.389 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1Cl 812108 BRPDNMGAEQYBSW-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB O=C(C1CCCCC1)N(c1nnc(-c2cccnc2)s1)C1CCCC1 1345606 KXORCXUFUCMDNA-UHFFFAOYSA-N 356.495 4.456 0 40 FIAB CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1 1629591 AQXCUKCNPFDHAX-UHFFFAOYSA-N 352.386 4.181 0 40 FIAB COc1ccc(-c2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 2108147 NGCXDABGEMKQJG-UHFFFAOYSA-N 362.337 4.281 0 40 FIAB biogenic CC[C@]1(C)Cc2c(sc3nc(SC)nc(NCCCOC)c23)CO1 2393569 UJAUVHYNANPOCQ-QGZVFWFLSA-N 367.540 4.103 0 40 FIAB Cc1c(Cl)ccc2c(Nc3cccc(C(=O)O)c3)c(C(=O)O)cnc12 2889524 VCIPPGSEIQWPQS-UHFFFAOYSA-N 356.765 4.337 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 3360464 VICAOTUERYNCTC-AWEZNQCLSA-N 373.280 4.009 0 40 FIAB O=C(c1c(F)cccc1Cl)N1CCN=C1SCc1ccc(F)cc1 4119952 YVWSIIIJKOMSFG-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB CC(C)(C)c1ccc(COC(=O)C[C@@H](CC(N)=O)c2ccccc2)cc1 4721152 PPIUGRZFEXWKAU-GOSISDBHSA-N 353.462 4.077 0 40 FIAB Cc1ccc(-n2c(S[C@H](C)C(=O)N3CCCC3)nc3ccccc32)cc1 4829684 GUCWQTITOHFNMT-MRXNPFEDSA-N 365.502 4.437 0 40 FIAB COC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3c2)cc1 4886844 ABIRJBFQFLNEHR-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB Cc1cccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 6504276 UFQVLZOYSMCGHY-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(F)cc1 6549812 ATWDGUBLIVHPJN-UHFFFAOYSA-N 353.422 4.259 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 6787027 UENIXIGFQHGTBF-UHFFFAOYSA-N 363.792 4.430 0 40 FIAB O=C([C@H](Sc1nc2ncc(Cl)cc2[nH]1)c1ccccc1)N1CCCC1 6932659 CAGWNWAJJYEISF-OAHLLOKOSA-N 372.881 4.067 0 40 FIAB CN(CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccccc1 7115572 FYCQTBIDAFMKHJ-HXUWFJFHSA-N 354.450 4.229 0 40 FIAB CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1C1CC1 7618470 YXFFJACRAUJCOG-LBPRGKRZSA-N 354.479 4.329 0 40 FIAB O=C(Cc1coc2ccc3ccccc3c12)NCCc1nc2ccccc2[nH]1 7674707 ZQHZPCBGWIEPSL-UHFFFAOYSA-N 369.424 4.364 0 40 FIAB Cc1cc(C2=NN=C(NC3CCCC3)SC2)c(C)n1Cc1ccco1 7849920 ZLQDYBXJFXTHGC-UHFFFAOYSA-N 356.495 4.085 0 40 FIAB Cc1cccc(OCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 7889936 JVHZDSMVSBGQJL-HXUWFJFHSA-N 355.434 4.480 0 40 FIAB COc1ccc(/C=C/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 8116290 ATBZOFKAQJORRE-FGHRRNBQSA-N 360.866 4.256 0 40 FIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c2ccccc12 8132525 OKBCBXBTBAESAR-UHFFFAOYSA-N 355.459 4.059 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(OC(C)C)cc3)n2)c1 8570345 FZLCMYMOVNRHND-UHFFFAOYSA-N 365.433 4.104 0 40 FIAB COc1ccccc1CNC(=O)CCc1ncc(-c2ccccc2Cl)o1 8748305 YCZAHIUEWFRDQE-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c1 8945007 OJUNTWFVCNLYMC-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)c1C 9216636 YHIBAMSMCDYFLP-AWEZNQCLSA-N 367.405 4.111 0 40 FIAB COc1ccc(CNC(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC 9710786 BJGUQMFMGGVHNY-CYBMUJFWSA-N 354.406 4.010 0 40 FIAB O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 11556081 ULXPOFNRUNPLJX-UHFFFAOYSA-N 360.244 4.152 0 40 FIAB COc1cc(OC)c(NC(=O)CSc2ccccc2C)cc1Cl 11600255 GCQUSDUPHFGHDK-UHFFFAOYSA-N 351.855 4.396 0 40 FIAB Cc1nc2cc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)ccc2n1C 12116129 SLSYPHGNDFCUJD-HXUWFJFHSA-N 373.460 4.125 0 40 FIAB COC(=O)c1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 12771453 GUIKHGKKNYQBAJ-UHFFFAOYSA-N 361.397 4.228 0 40 FIAB O=C(NC[C@@H]1CCCO1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12916394 LZRQYQDTMQXCDY-INIZCTEOSA-N 366.392 4.057 0 40 FIAB COc1ccccc1Cn1c(-c2ccc(F)cc2)nc2ccccc2c1=O 13637350 FVKYPDLNZPHBOO-UHFFFAOYSA-N 360.388 4.260 0 40 FIAB O=C(Nc1ccccc1F)c1nc(-c2ccccc2)n(-c2ccccc2)n1 14609386 QSWRYIGRTZRSDX-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3OC)no2)cc1 15300630 HWLHJDZFODGUFR-GOSISDBHSA-N 365.433 4.091 0 40 FIAB C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C[C@@H](C)O1 16043368 QBMPFJGFYFZFNI-GASCZTMLSA-N 374.868 4.180 0 40 FIAB C[C@H](OC(=O)c1ccoc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 16157900 FADGVHIRARORSS-KRWDZBQOSA-N 363.413 4.054 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccc(F)c2)cc1 16311600 HIIPGZTXIWKUEV-UHFFFAOYSA-N 372.407 4.111 0 40 FIAB Cc1[nH]c(S[C@H](C(=O)N(C)C)c2ccccc2)nc1Cc1ccccc1 17704264 GSPHVEOVAVQIIU-IBGZPJMESA-N 365.502 4.231 0 40 FIAB Cc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CC(C)(C)OC3 17945387 KJANPXJHIIXNPE-UHFFFAOYSA-N 358.488 4.270 0 40 FIAB COc1ccc([C@H]2CCCN2C(=S)Nc2ccccc2OC)c(OC)c1 18163904 SCAMWDLVZUUSLR-QGZVFWFLSA-N 372.490 4.246 0 40 FIAB O=C(CC[C@@H]1CCCO1)NCCc1nc(-c2ccc(Cl)cc2)cs1 19336877 AAYNCNWNQQTXDI-HNNXBMFYSA-N 364.898 4.081 0 40 FIAB COc1ccc(CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)cc1 19555239 BBFMMBRGJVVKGN-INIZCTEOSA-N 372.852 4.094 0 40 FIAB Cc1cc(C)n(C2CCN(Cc3c(-c4ccccc4)nn(C)c3C)CC2)n1 19658566 BXSHFFVCRGHQPM-UHFFFAOYSA-N 363.509 4.046 0 40 FIAB Cc1ccn2cc(-c3cccc(NC(=O)[C@@H](C)n4nccc4C)c3)nc2c1 19716709 ZKPXCBMGYROCLE-MRXNPFEDSA-N 359.433 4.014 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 20458113 PEQRRCVJEQIXEL-CQSZACIVSA-N 362.267 4.322 0 40 FIAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2ccccc21 29482362 AHBSOUAKQWUYMJ-KRWDZBQOSA-N 364.367 4.143 0 40 FIAB Cc1[nH]c2ccccc2c1CC(=O)OCc1cc(Cl)c2c(c1)OCCO2 31144759 QIGYFHQSKPTEPM-UHFFFAOYSA-N 371.820 4.187 0 40 FIAB O=C(c1ccc(Br)o1)N(Cc1ccc2[nH]ccc2c1)C1CC1 32093491 DPLGBFWZKIGYRM-UHFFFAOYSA-N 359.223 4.328 0 40 FIAB Cc1nc(CSCCC(=O)NC23CC4CC(CC(C4)C2)C3)cs1 32796369 WQUZMRUDHHTUIL-UHFFFAOYSA-N 350.553 4.160 0 40 FIAB c1ccc(-c2noc(CN(Cc3cccs3)Cc3cccs3)n2)nc1 32928714 DDKFZRNPLXXENW-UHFFFAOYSA-N 368.487 4.457 0 40 FIAB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(C)c1O 33599405 KXSLPBOBJVTCJD-SXGWCWSVSA-N 357.406 4.385 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2cc(F)ccc2F)c1 36360735 KTCRZPIXYJUUIO-OAHLLOKOSA-N 355.344 4.283 0 40 FIAB CCCc1cc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)sc1C 40049176 PXHVDEKZUVGUKL-MRXNPFEDSA-N 368.506 4.072 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)c1 40106527 ZVZDUULERNIXOX-ZDUSSCGKSA-N 363.841 4.004 0 40 FIAB O=C(NCc1ccccc1OC1CCCC1)Nc1nnc(C2CC2)s1 40150536 GDIXRKMPRAUWKN-UHFFFAOYSA-N 358.467 4.059 0 40 FIAB Cc1ccc(NC(=O)CSCc2cc(=O)c3ccccc3[nH]2)cc1Cl 41077351 YHDNELALSXFPPB-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccccc3)c12 45872907 KZKLNKBGAIHPBV-UHFFFAOYSA-N 370.456 4.216 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)NCc1ccccc1C(F)(F)F 49006225 OBHCEBFUNAWFMD-UHFFFAOYSA-N 365.380 4.191 0 40 FIAB CN(C(=O)N[C@H]1CCOc2c(Cl)cccc21)[C@@H]1CCc2ccccc21 56805212 TVEVNESWIYYHHC-ZWKOTPCHSA-N 356.853 4.493 0 40 FIAB CN(C)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)nc1 58406750 XLXNGFSZWHXUSO-UHFFFAOYSA-N 351.431 4.021 0 40 FIAB C[C@H]1CCCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 61199542 PIVXVFRFFXIWGG-ZDUSSCGKSA-N 350.509 4.285 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N(C)Cc1csc2ccccc12 67535088 OZKXLVHQLAXUCB-GFCCVEGCSA-N 356.495 4.154 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C#N)C1 70665433 MUZZVNREAYPPFE-NWDASVTGSA-N 357.494 4.136 0 40 FIAB biogenic CCCNc1ncccc1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213172 JFNQYQWFJSQNJD-IBGZPJMESA-N 373.522 4.128 0 40 FIAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 72243361 UJFMVIKWUUHNPX-UHFFFAOYSA-N 371.322 4.020 0 40 FIAB CSc1ccc(O[C@H](C)C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1 95400017 YJNGQTLXGZBXKQ-CYBMUJFWSA-N 371.437 4.139 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ncnc2nc[nH]c12 95471986 ABDHVBHQQOPIGX-UHFFFAOYSA-N 369.494 4.331 0 40 FIAB CC(C)(C)c1ccc(OCc2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)cc1 95534036 BRJWDKSQFPURIP-GOSISDBHSA-N 370.884 4.383 0 40 FIAB Cc1ccc(C)c(N(C(=O)c2cn(-c3ccc(F)cc3)nn2)C(C)C)c1 102840091 CWPLHXVCOQGXEU-UHFFFAOYSA-N 352.413 4.078 0 40 FIAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](Nc2ccc(C)cc2C)C1=O 103291838 LZOSVHLSLIIEQY-INIZCTEOSA-N 372.852 4.018 0 40 FIAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 103717848 LMJZJGUWUFDBMQ-CQSZACIVSA-N 354.425 4.115 0 40 FIAB C[C@@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915977 OAZITJUUAWYFTF-MOKCZEHGSA-N 360.494 4.066 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218973264 UWENVTFBWPLSFS-QFBILLFUSA-N 353.462 4.489 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219324060 MBHWWEDQDBHETJ-HNAYVOBHSA-N 361.869 4.390 0 40 FIAB CC(C)Oc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584513 RVVSIUFNBHNXLG-ZOCIIQOWSA-N 353.491 4.458 0 40 FIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)S1 222602762 PUOHFDIUCRDOIH-KYNGSXCRSA-N 364.474 4.114 0 40 FIAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1C 223929226 ZCFSLSBSAIUDBC-UHFFFAOYSA-N 366.505 4.098 0 40 FIAB Cc1cc(OCC(=O)NCC2=CCCCC2)cc(C)c1Br 224243111 SNXOZCJSBILSDF-UHFFFAOYSA-N 352.272 4.061 0 40 FIAB CCSc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225112632 DJXJIVJLOXVBDK-UHFFFAOYSA-N 358.488 4.447 0 40 FIAB Nc1cc(C(=O)NC2CC2)ccc1NC(c1ccccc1)c1ccccc1 225450354 GQRQMCCNWMHGQS-UHFFFAOYSA-N 357.457 4.363 0 40 FIAB CCOC(=O)c1cc(NC(=S)Nc2ccc(F)cc2)ccc1Cl 225459372 XHVDGJWZZWYVBE-UHFFFAOYSA-N 352.818 4.465 0 40 FIAB CO[C@@H](CNC(=O)CCSc1ccccc1)c1ccc(Cl)s1 225702442 RYEVGYOIRMZWTB-ZDUSSCGKSA-N 355.912 4.388 0 40 FIAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cc(Cl)cc(Cl)c1 225750253 YCVCAIJPPDPSMI-UHFFFAOYSA-N 365.191 4.086 0 40 FIAB Cc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)oc12 226044484 LLARAHGIFWJHRB-UXBLZVDNSA-N 360.457 4.212 0 40 FIAB Oc1ccc(CN2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)cc1 257270082 MSROTJNYKIJTRV-LJQANCHMSA-N 361.449 4.048 0 40 FIAB Nc1ccccc1SCC(=O)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 408531047 LQZXIQQFMAJNIY-MAUKXSAKSA-N 366.511 4.363 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCC(Cc2ccccc2)CC1 408680990 VCVDGDDLMHLJGH-FQEVSTJZSA-N 367.489 4.334 0 40 FIAB O=C(CSCc1cccc(C(=O)O)c1)Nc1ccc2ccccc2c1 408718630 MDZANWFNLDSOPM-UHFFFAOYSA-N 351.427 4.410 0 40 FIAB CCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 408751063 VZRZKBDAZZMAEF-NEPJUHHUSA-N 364.492 4.238 0 40 FIAB CCOc1ccccc1N=c1[nH]c(-c2ccc(F)cc2)c(CC(=O)O)s1 408884692 YDHAXQUVSLYHTF-UHFFFAOYSA-N 372.421 4.141 0 40 FIAB O=C(CC1=CCCCC1)N1Cc2cccn2C[C@@H](CCOCC2CC2)C1 585095088 DTWFTLISXYNQHA-HXUWFJFHSA-N 356.510 4.154 0 40 FIAB O=C1C[C@@H]2CCN(CC3CCCC3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646913 WCRNVQOEGQFLBV-IRXDYDNUSA-N 360.473 4.065 0 40 FIAB CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)C=C(C)C)cs1 11583035 YZMAYSOGHOGODN-UHFFFAOYSA-N 364.854 4.491 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C(C)C 11565925 AZCFPIQXHPQBFS-UHFFFAOYSA-N 364.511 4.429 0 40 FIAB O=C(CCc1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 1003746 JABXLIXEKIQVSY-UHFFFAOYSA-N 350.462 4.320 0 40 FIAB CCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccccc2C)s1 1345259 ANYXOYQASBFKSU-UHFFFAOYSA-N 353.447 4.189 0 40 FIAB CN(C(=O)c1ccccc1)C1(COC(=O)c2ccccc2)CCCCC1 1723232 IBXVZRYJGRFUAA-UHFFFAOYSA-N 351.446 4.319 0 40 FIAB O=C(COc1ccc(Cl)cc1)N(Cc1cccc2[nH]ccc12)C1CC1 32093716 VYNWBRKHONGQFH-UHFFFAOYSA-N 354.837 4.391 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 7928128 YBMTZCXEAKAPPB-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB CN(CCOc1ccccc1F)C(=O)CCCc1c[nH]c2ccccc12 32787889 VXIGPHUTWLJBNF-UHFFFAOYSA-N 354.425 4.167 0 40 FIAB COc1ccc(C(=O)N(C)CCOc2ccc(F)cc2)c2ccccc12 32788819 FCKPLOHQDDWNEJ-UHFFFAOYSA-N 353.393 4.139 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1Cl 8218480 LBEWLENWDSXGMF-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 8339268 JKOUPXXLPDXGBO-UHFFFAOYSA-N 364.858 4.169 0 40 FIAB CC1CCN(Cc2csc(NC(=O)C(F)(F)c3ccccc3)n2)CC1 32933192 AJLYTRKNEQWARZ-UHFFFAOYSA-N 365.449 4.106 0 40 FIAB Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3nnnc3N2)cc1 100982260 AMDIJUOSSRDAJZ-INIZCTEOSA-N 358.232 4.344 0 40 FIAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9062739 XOTDONLPHRNWFI-UHFFFAOYSA-N 368.496 4.095 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@@H](C)c3cccs3)n2)cc1 33235834 FKLZVOSUVBAIFY-AWEZNQCLSA-N 355.463 4.259 0 40 FIAB O=C(Oc1ccc(O)cc1)c1cc(Br)ccc1Br 682411 PWYPBRLIJRYTCL-UHFFFAOYSA-N 372.012 4.136 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)NCc3cccs3)ccc21 22507999 OVOSMDBEYDIZFW-UHFFFAOYSA-N 371.506 4.395 0 40 FIAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(F)c(F)c1 23548535 ZCFXFJOXHWGWIB-CYBMUJFWSA-N 357.400 4.294 0 40 FIAB O=C(Nc1ccc(C(=O)Nc2cccc3ncccc23)s1)c1ccco1 23689115 WDSPJKDBPUWDRY-UHFFFAOYSA-N 363.398 4.394 0 40 FIAB c1ccc(Cc2noc(CSc3ccc4c(c3)OCCCO4)n2)cc1 42787457 SXJMDJPSRAJEHD-UHFFFAOYSA-N 354.431 4.114 0 40 FIAB COc1ccc2cc(CN(C)C(=O)c3ccc4c(c3)CCC(=O)N4)ccc2c1 23955037 YEFHADZYTCGTHE-UHFFFAOYSA-N 374.440 4.005 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccs1)C1CCCC1 42985438 LFMPZEKTCHUVQT-WFASDCNBSA-N 352.500 4.009 0 40 FIAB CCc1ccccc1NC(=O)CSCC(=O)Nc1ccc(Cl)cc1 2887363 HTYRRZRTORCOGS-UHFFFAOYSA-N 362.882 4.213 0 40 FIAB Cc1cc([C@@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c(C)s1 47089695 OLRMTRIYKDUNNO-SECBINFHSA-N 359.476 4.167 0 40 FIAB CC(C)(C)Cc1noc2ncc(C(=O)N3CCC[C@@H]3c3ccc[nH]3)cc12 61382122 LOPLBPDPJRPYMJ-QGZVFWFLSA-N 352.438 4.117 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)N[C@H](C)Cc1c[nH]c2ccccc12 12409371 FJBOKJCYXODOJB-CYBMUJFWSA-N 364.474 4.085 0 40 FIAB O=C(CNCc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)cc1 57711903 HVZXVVUZISPBBQ-UHFFFAOYSA-N 350.393 4.346 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 25898647 JKXHMJWYIWHMGY-NRFANRHFSA-N 366.486 4.460 0 40 FIAB CCN(Cc1ccc(OC)c(OC)c1)Cc1nc(-c2ccccc2C)no1 25357748 XENHPSKTWMUUOL-UHFFFAOYSA-N 367.449 4.084 0 40 FIAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccccc3F)o2)cc1F 10496544 FDIWDOJHWKVEOV-UHFFFAOYSA-N 356.372 4.177 0 40 FIAB Cc1ccc(CSc2nc(=O)n(Cc3ccccc3)c3c2CCC3)cc1 28286795 VNEZBPSTZYVJCA-UHFFFAOYSA-N 362.498 4.381 0 40 FIAB CC(C)Cc1nc2oc3c(N4CCCC4)ncnc3c2c2c1CCCC2 2360315 FPFPBZZAJJFIQU-UHFFFAOYSA-N 350.466 4.449 0 40 FIAB COC(=O)c1ccc(COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 3249840 MVQUUQNWIKIUCE-UHFFFAOYSA-N 356.393 4.168 0 40 FIAB COc1ccccc1[C@H](CNC(=O)Nc1cccc2ccccc12)N(C)C 11004837 BJUIVUXDBSAKBC-FQEVSTJZSA-N 363.461 4.273 0 40 FIAB c1ccc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)co2)cc1 48253451 DKWBBGIMZMLEAK-LJQANCHMSA-N 362.429 4.450 0 40 FIAB Cc1nnc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 7781645 VQINLFQOBAZBJV-UHFFFAOYSA-N 361.430 4.189 0 40 FIAB O=C(Oc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408668913 RHZWMJYWSNIPIW-GOSISDBHSA-N 357.409 4.312 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nnc(C2CC2)n1C1CC1 7902734 UADRWAAMCWIGTP-UHFFFAOYSA-N 357.479 4.384 0 40 FIAB COc1ccc(C(=O)c2nnn(-c3cc(Cl)cc(Cl)c3)c2C)cc1 4050588 RQDQZOSSKYNPPX-UHFFFAOYSA-N 362.216 4.122 0 40 FIAB CCOc1cc(C(=O)N2c3ccccc3C[C@H]2C)cc(OCC)c1OCC 6155397 XGAWKJXTIKPLKW-OAHLLOKOSA-N 369.461 4.474 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 5267792 YZCRUNWLNNZRLO-NSHDSACASA-N 373.503 4.413 0 40 FIAB COc1ccc(S(=O)(=O)N2CC[C@H](C)Sc3ccccc32)cc1C 65551966 AWUYZCDIBQEITL-AWEZNQCLSA-N 363.504 4.083 0 40 FIAB C[C@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(F)cc1Cl 5308386 ACALTXHGGIABBV-VIFPVBQESA-N 367.829 4.213 0 40 FIAB CC(=O)c1cc(CCC(=O)NCc2ccc(C(F)(F)F)cc2)oc1C 14227420 OKNYGPYTCPQPEB-UHFFFAOYSA-N 353.340 4.058 0 40 FIAB Cc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)nc1 6624639 OPYDXHMBOSIKOP-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB biogenic COc1ccc2c(CC(=O)N(C)Cc3nc4ccccc4s3)coc2c1 6789774 LKZBQOIFVNDBKL-UHFFFAOYSA-N 366.442 4.252 0 40 FIAB Cc1occc1-c1nnc2sc(COc3cccc4ccccc34)nn12 4939069 LUSGNGTVGPZSSL-UHFFFAOYSA-N 362.414 4.486 0 40 FIAB CCOC(=O)c1sc2nc(C)nc(Nc3ccccc3OC)c2c1C 7062777 VAVMJSDNYDFPPO-UHFFFAOYSA-N 357.435 4.237 0 40 FIAB Cc1ccc(NC(=O)[C@@H](NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 7377937 HVWQRVARNFNDMG-QFIPXVFZSA-N 374.440 4.193 0 40 FIAB COc1cccc(-c2nc(CSC3=NCCS3)cs2)c1OC 8707850 CJNWWOHIYMMRJY-UHFFFAOYSA-N 352.506 4.163 0 40 FIAB CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2cnc3ccccc3c2)cc1 70730307 WHTHXZKYPVPZFX-HNNXBMFYSA-N 361.445 4.174 0 40 FIAB O=C(CCc1ccco1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 8922684 PWGDRLOUBXYDSV-UHFFFAOYSA-N 371.440 4.381 0 40 FIAB C[C@H](Nc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CCCC1 83966736 FUXHHQAGOFYERW-ZDUSSCGKSA-N 366.490 4.218 0 40 FIAB CC(C)(O)CSc1nnc(Nc2ccc(SC(F)F)cc2)s1 78489716 BSLCWAQFCBFYHR-UHFFFAOYSA-N 363.480 4.459 0 40 FIAB Cc1cccc2c1C(=O)NCCN2C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 95458589 RFTXBXHZHHEWHS-VQTJNVASSA-N 370.452 4.028 0 40 FIAB O=C(NCC1(c2ccncc2)CCCC1)C1(c2cccc(Cl)c2)CC1 95453020 HSZPOWXAJDNCMU-UHFFFAOYSA-N 354.881 4.395 0 40 FIAB O=C(CSCc1ccccn1)N1C[C@H]2CCCC[C@@]21c1ccccc1 95965534 PBDMWNPJCCICHW-WIYYLYMNSA-N 352.503 4.243 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(Br)c1 408681192 PXBWHNOAYKMVGT-AWEZNQCLSA-N 364.239 4.254 0 40 FIAB Cc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2Cl)cc1F 72329836 QYZRVDQZUBRXAU-UHFFFAOYSA-N 353.777 4.308 0 40 FIAB CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72379071 APFACWXZPWWJTJ-IBGZPJMESA-N 350.441 4.306 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 216452506 SXIVUCHQYZHATF-GOSISDBHSA-N 351.490 4.498 0 40 FIAB COc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)N4CCC[C@@]34C2)cc1 72342204 POZRIAYNGJCFQS-FBBABVLZSA-N 354.519 4.168 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222711806 HVXDUMZWVSSQHE-VQIMIIECSA-N 369.461 4.109 0 40 FIAB Cc1cccc(CSCC(=O)Nc2nnc(SC(C)C)s2)c1 223263783 BZBLBDKMUQXKOF-UHFFFAOYSA-N 353.538 4.219 0 40 FIAB Cc1cccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1C 41156756 KZQSSCQUXYOVBM-UHFFFAOYSA-N 361.869 4.148 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)n1cc(C(=O)OC)c2ccccc21 222619868 KROOKYDFRYIDPG-GOSISDBHSA-N 351.402 4.234 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1Cl 225438155 YQZQRCVIGUFCCG-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB O=C(NC[C@H]1COc2ccccc21)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 569703146 SZKQDEGGEOLHMU-SESVDKBCSA-N 358.441 4.171 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2C)cc1C(C)C 225475102 OFHFEHMKUFJSRD-MRXNPFEDSA-N 361.507 4.475 0 40 FIAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccccc1OC 224579859 GDDWZCOYJAYTGK-UHFFFAOYSA-N 369.461 4.299 0 40 FIAB COc1ccc(CCC(=O)NCCSCc2cccc(C)c2)cc1C 224382467 OMLSCPRXMKLSBO-UHFFFAOYSA-N 357.519 4.294 0 40 FIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOC)cc1 225652303 NMHMGPNQRPPSIM-FQEVSTJZSA-N 351.487 4.416 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(Cl)cc1 224470046 IUMWYTMSZKPPIM-GOSISDBHSA-N 361.869 4.309 0 40 FIAB Ic1ccc(NCc2csc(C3CCC3)n2)nc1 95093893 SXRFGIUWTLIZQO-UHFFFAOYSA-N 371.247 4.022 0 40 FIAB OC1=Nc2ncn(-c3ccc(Cl)cc3)c2[C@@H](c2cccnc2)SC1 95477546 OUFAYYSPNSGFEV-MRXNPFEDSA-N 356.838 4.345 0 40 FIAB C[C@H]1[C@H](C)CCCN1Cc1nc(-c2cccnc2OC2CCCCC2)no1 247883930 SGHMKUYXKPWNIZ-CVEARBPZSA-N 370.497 4.464 0 40 FIAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@](C)(CO)O2 245236563 UJHGQFKKYLHYKM-RUQOHVRTSA-N 366.542 4.291 0 40 FIAB CC(C)CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(O)c4)OCC[C@@]31C2 257224399 FBRDFYPMLCGWPT-CSSXWCHRSA-N 371.521 4.437 0 40 FIAB O=C(CC1CCCCC1)N1CCCC[C@@H]1c1nnc(-c2ccncc2)o1 257229643 FYXBHPGRMRLEHY-QGZVFWFLSA-N 354.454 4.156 0 40 FIAB CC(C)(C)n1cc(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)cn1 656556268 FXLOGYBVMKMCMV-UHFFFAOYSA-N 354.475 4.279 0 40 FIAB COCC1(C2CCC2)CN(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 664803479 VFZDHCXTVZBYQR-LEWJYISDSA-N 364.489 4.154 0 40 FIAB CCCc1ccc(-c2ccc(NC(=O)N(C)Cc3cn(C)nn3)cc2)cc1 585100396 WAPMDCWKDNVCRV-UHFFFAOYSA-N 363.465 4.099 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 5598754 HWXIKDSJLBHSHG-UHFFFAOYSA-N 355.415 4.288 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccc(Cl)cc12 5889808 SCSXLINWYJSKFC-UHFFFAOYSA-N 356.853 4.089 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1ccc(NC(=O)c2ccco2)cc1 11534227 WUBZDRYLXITGIJ-UHFFFAOYSA-N 368.820 4.044 0 40 FIAB Cc1ccc(NC(=O)COc2cc(Cl)ccc2C(=O)O)cc1Cl 13085207 AWYKYUKCKACUAX-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB CC1(C)C[C@H](NC(=O)c2ccc(Br)cc2)c2ccccc2O1 13672721 GTUVYGFYQHWPRR-HNNXBMFYSA-N 360.251 4.481 0 40 FIAB CCCC(=O)N1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 19501150 ZBNMXLBUXDXYEA-UHFFFAOYSA-N 355.360 4.056 0 40 FIAB Cc1ccccc1C(=O)Nc1cc(/C=C/C(=O)O)ccc1Br 226357225 SZPSEQKPFWYKSO-VQHVLOKHSA-N 360.207 4.108 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1C[C@H](C)C[C@@H](C)C1 226329981 CBGYNTLMYGBBBF-ZIAGYGMSSA-N 355.457 4.451 0 40 FIAB O=C1OCC[C@@H]1Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 4549086 IYRYVIFFMYUXFO-AWEZNQCLSA-N 363.870 4.121 0 40 FIAB O=C1c2ccccc2N[C@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 5701345 JUPCYCWUGNWMKI-IBGZPJMESA-N 364.426 4.244 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 5099280 ALJMEOQNNYDLPS-UHFFFAOYSA-N 364.445 4.027 0 40 FIAB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2ccccc2Cl)c1=O 5269886 XHIKGIWYLIEXSH-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1ccc2cc(CCNC(=O)CCC3CCCCC3)c(=O)[nH]c2c1C 6309492 NBANFZQSBAEWMD-UHFFFAOYSA-N 354.494 4.164 0 40 FIAB COc1cccc(NC(=O)NCc2ccc(-c3ccsc3)o2)c1OC 575609722 FNDBQNLKWVEYQV-UHFFFAOYSA-N 358.419 4.347 0 40 FIAB Cc1nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)sc1-c1ccccn1 40089940 PRRCYYQXWLCGKY-UHFFFAOYSA-N 367.430 4.186 0 40 FIAB CCOc1ccc(-n2c(S)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 100071610 XPMVRROLSKPNOJ-UHFFFAOYSA-N 363.442 4.068 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC(c2nc3ccccc3[nH]2)CC1 31176125 XEYFGGJKPFPYEG-UHFFFAOYSA-N 356.429 4.131 0 40 FIAB COc1ccc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3cc2c1 917598 OOWAWUGNGJTMBZ-UHFFFAOYSA-N 367.405 4.432 0 40 FIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OC)cc1OC 953646 MNAUCLAZLMYHSR-UHFFFAOYSA-N 366.417 4.481 0 40 FIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(Br)c1 1231180 RHMUBPKLMTXGCI-NTEUORMPSA-N 362.610 4.447 0 40 FIAB Fc1cccc(-c2cc3nc4c(c(N5CCCCC5)n3n2)CCCC4)c1 1341603 PZWXTXWZQSSAEL-UHFFFAOYSA-N 350.441 4.405 0 40 FIAB CC(C)OC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 1381416 LZSYETTUHBBEAM-UHFFFAOYSA-N 358.438 4.267 0 40 FIAB COc1cccc2c1OCC(C(=O)Nc1cc(Cl)ccc1Cl)=C2 1391472 VTDGFCIPJVDDMB-UHFFFAOYSA-N 350.201 4.417 0 40 FIAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 2524173 JBORHVCRPJIRSN-UHFFFAOYSA-N 363.845 4.479 0 40 FIAB CCC(CC)c1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1 2620247 QZKSXIAZYVDGES-CSKARUKUSA-N 361.467 4.111 0 40 FIAB O=C(Nc1ccccc1Cl)c1cccc(I)c1 3483305 NLVUFOWHZHLMNX-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)cc1 4649350 MRWKIOBHPNGVOK-UHFFFAOYSA-N 366.490 4.084 0 40 FIAB Cc1ccc(C)c(OCc2nn3c(Cc4ccc(F)cc4)nnc3s2)c1 4667805 BFBSRXDOXBVOFB-UHFFFAOYSA-N 368.437 4.112 0 40 FIAB COc1ccc(OC)c(C(=O)COC(=O)c2c(Cl)cccc2Cl)c1 5315708 HUCZYXYTJRVURD-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)COc2ccc(Cl)cc2Cl)c1 5749843 ZCTAFIGHMLYAQN-UHFFFAOYSA-N 368.260 4.184 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)/C=C/c1cccs1 6052179 CQDLHRLBXQEURU-SOFGYWHQSA-N 366.280 4.191 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(Br)cc2)cc1 7645544 SWROCBGREJAMCH-YQJFHSMKSA-N 360.251 4.348 0 40 FIAB FC(F)(F)c1ccc(Cl)c(NNC(=S)NC2CCCCC2)c1 7780121 WGKHHYSADXPQTG-UHFFFAOYSA-N 351.825 4.483 0 40 FIAB Cc1ccc(CN(C)CC(=O)Nc2ccc(Br)cc2C)cc1 7902328 FWTIXPYQPTYTQU-UHFFFAOYSA-N 361.283 4.136 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)CNc2cccc(C(F)(F)F)c2)c1C 7990031 WSRNNEFRLSRUTI-UHFFFAOYSA-N 368.355 4.122 0 40 FIAB COC(=O)[C@@H](Sc1nnc(NC(C)C)s1)c1ccccc1Cl 9690345 DBPGPDUKBSVYBK-NSHDSACASA-N 357.888 4.018 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCCCCC1 9993080 IPZADANLXCSOCO-UHFFFAOYSA-N 352.434 4.256 0 40 FIAB CCC[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10336424 OALPPTTYKTXIOX-HNNXBMFYSA-N 374.506 4.023 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(OC)cc2)c1 10444193 SJLCGAWMVMYJCR-UHFFFAOYSA-N 373.474 4.052 0 40 FIAB COc1cc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)nc(C)n1 12225290 PGHRQPCNCLLNDV-UHFFFAOYSA-N 362.433 4.109 0 40 FIAB CC(C)CCn1c(SCc2ccc(C(N)=O)cc2)nc2ccccc21 12520180 YHJXQAITEFXQOG-UHFFFAOYSA-N 353.491 4.474 0 40 FIAB O=C(NCCCn1ccc2ccccc21)c1cccnc1SC(F)F 12557798 XGVJQLBFGQFMQK-UHFFFAOYSA-N 361.417 4.171 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCC1)c1cnccn1 12780188 DNXKOQQACLLNDC-UHFFFAOYSA-N 364.371 4.128 0 40 FIAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc(OC)c2)cc1 12866419 JSDHSZVBYUZCNX-OAQYLSRUSA-N 368.477 4.260 0 40 FIAB CCc1ccc(Nc2nc(C)c3nnn(-c4ccc(CC)cc4)c3n2)cc1 13364931 QSKWGSDLPQTMJL-UHFFFAOYSA-N 358.449 4.387 0 40 FIAB O=C1C[C@H](c2ccccc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 13634172 JIFDFHZZXYQLFN-OAHLLOKOSA-N 374.831 4.357 0 40 FIAB CC(=O)NCc1ccc(-c2nc(COc3ccccc3)sc2C)s1 14103685 HQOCTAYIMKCKFB-UHFFFAOYSA-N 358.488 4.395 0 40 FIAB COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cccnc2)cc1OC 15107568 HQSWOYJFRJUTHH-CQSZACIVSA-N 366.442 4.301 0 40 FIAB CCOc1cc(C(=O)Nc2cccc(C)c2)cc(Br)c1OC 16028573 UFBVPXMNCLHPLT-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB c1ccc(Cn2cc(CNCCc3cccs3)c(-c3cccnc3)n2)cc1 17314760 HZAHNOFMXMEVCE-UHFFFAOYSA-N 374.513 4.387 0 40 FIAB CCCc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4)o3)ccc12 18328125 XEZNVPCRLWKMMC-UHFFFAOYSA-N 362.385 4.375 0 40 FIAB CC(C)c1nccn1[C@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19454273 XSINIWNVHMKVNN-SJORKVTESA-N 373.472 4.024 0 40 FIAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCc2sccc2C1 21627137 TZSDTSWNHCHRQT-UHFFFAOYSA-N 357.406 4.258 0 40 FIAB COc1ccc(CCC(=O)Nc2nc3c(s2)CCCCC3)cc1OC 21902093 UEOURPVDISTZSA-UHFFFAOYSA-N 360.479 4.001 0 40 FIAB COC(=O)c1cc(NC(=O)c2cc3cc(C)ccc3nc2C)c(F)cc1F 22890054 SXMBYBSASFAYNT-UHFFFAOYSA-N 370.355 4.169 0 40 FIAB COC(=O)[C@H](c1ccccc1Cl)N(C)Cc1nc2ccccc2s1 24735545 POKHDHGLQLQMOK-KRWDZBQOSA-N 360.866 4.296 0 40 FIAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2c1oc1ccccc12 24821997 QEBQYWPJQXNEDZ-ZDUSSCGKSA-N 351.431 4.068 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C)c1ccc(C)cc1 28236680 RDBRUBDNMDIPKP-HIFRSBDPSA-N 353.388 4.347 0 40 FIAB CCCOc1ccc(C(=O)CCNc2cc(OC)c(OC)c(OC)c2)cc1 30952805 CCXMPHSIGSDLKV-UHFFFAOYSA-N 373.449 4.186 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)CSCc1csc(-c2ccco2)n1 31420622 QCGLDCZQGRJDIG-GXTWGEPZSA-N 350.509 4.331 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(F)c1 32578909 YOHMAPHBEMAPTL-UHFFFAOYSA-N 369.396 4.325 0 40 FIAB CCC(C)(C)NC(=O)c1cc(Br)c(Br)s1 32963812 YXCSTFGVUOAAFI-UHFFFAOYSA-N 355.095 4.192 0 40 FIAB Cc1cc2occ(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2cc1C(C)C 32963864 ONTWDPOWIUBNML-UHFFFAOYSA-N 363.417 4.215 0 40 FIAB O=C1COc2ccc(NC(=O)c3ccc(-c4ccccc4F)s3)cc2N1 40073724 FSVXXSFZAGXDTL-UHFFFAOYSA-N 368.389 4.137 0 40 FIAB C[C@@H]1CCCCN1CCCCNC(=O)Nc1cccc(OC(F)F)c1 40120491 CKFHTRNHNHLVIV-CQSZACIVSA-N 355.429 4.064 0 40 FIAB Cc1cc(OCC(=O)NCCSCc2ccccc2)cc(C)c1Cl 41008036 JVTPSNYJKRWFLG-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC(C)c1noc(CCC(=O)N(C2CC2)[C@H]2CCCc3ccccc32)n1 41815029 KAKKTWOZJPXRJB-SFHVURJKSA-N 353.466 4.194 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(OC)cc(OC)c2)cc1 44901072 UDSJWUMUCQMEGN-HXUWFJFHSA-N 357.450 4.230 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1)c1ccccn1 47248081 PQCBOLIFWXXIDL-OXJNMPFZSA-N 363.461 4.129 0 40 FIAB Cc1ccc(Cn2cccc/c2=N\C(=O)CCc2ccc(F)c(F)c2)cc1 48314427 SKLDOQAJIFGOHK-NJNXFGOHSA-N 366.411 4.183 0 40 FIAB C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 53261570 OUUWQXUIYVMHTR-DNVCBOLYSA-N 367.449 4.077 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)no2)cc1 58266331 LYBHTEHDELXRIT-LBPRGKRZSA-N 355.316 4.071 0 40 FIAB O=C(Cn1cnc(-c2nc(-c3cccs3)cs2)c1)NC1CCCCC1 67246285 HXELTZOUPKBYPG-UHFFFAOYSA-N 372.519 4.184 0 40 FIAB COc1cccc([C@@H](CNC(=O)C2CCC(C(C)(C)C)CC2)N(C)C)c1 69691520 PJZATMVCPOESPF-OUNSHVDWSA-N 360.542 4.267 0 40 FIAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)Nc1cccs1 70931871 LNABDGLGNBSDQH-UHFFFAOYSA-N 372.519 4.396 0 40 FIAB C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCCCC1)[C@@H]1CCCO1 72271650 WEZKUOMREPTIOA-YOEHRIQHSA-N 350.890 4.366 0 40 FIAB COc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333545 IXYTYMPFMTUYFO-UHFFFAOYSA-N 366.490 4.329 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 73955668 ZURKRMZJJJAIDL-SFHVURJKSA-N 369.530 4.340 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 79224940 JIBJZODXWUYPGD-CVEARBPZSA-N 362.470 4.364 0 40 FIAB C[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(F)c(F)c1 84647872 VYGSYIFHUXGHFW-IAQYHMDHSA-N 370.440 4.081 0 40 FIAB CC(C)n1cc(CCC(=O)NCCc2nc3ccccc3[nH]2)c2ccccc21 96116647 FNDMMGZEBODERJ-UHFFFAOYSA-N 374.488 4.390 0 40 FIAB CC(C)n1c([C@@H]2CCCN(C(=O)c3ccccc3N)C2)nc2ccccc21 97020245 UMAOINNNVBZAHQ-MRXNPFEDSA-N 362.477 4.219 0 40 FIAB COc1ccc(-c2csc(C3=C(O)CN(CCC(C)C)C3=N)n2)cc1 102724715 ULIHYDWQCQQEIF-UHFFFAOYSA-N 357.479 4.427 0 40 FIAB c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3C[C@H]3c3cccnc3)n2)c1 109570102 RFQPRAKGHXRYIB-VQTJNVASSA-N 360.461 4.389 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 219044175 GEMOKLLTWOYPEH-QZTJIDSGSA-N 363.457 4.499 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 224241508 LSTSVMDFPBCUIO-UHFFFAOYSA-N 351.368 4.326 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)c1 224851631 OBYRWLBNIYIULD-AWEZNQCLSA-N 368.408 4.299 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224868628 OHIHOGRNGNLELP-LPHOPBHVSA-N 371.477 4.355 0 40 FIAB Cc1noc(C)c1/C=C1/SCCN1C(=O)c1cccc(C(F)(F)F)c1 225248206 FGAKQVOCCYEYGO-OQLLNIDSSA-N 368.380 4.498 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OCC)cc2)c1C 225431453 SNHPULPOQLNVQB-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB CC1CCN(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 225436337 RPRRUYQKLPMOHZ-UHFFFAOYSA-N 359.461 4.114 0 40 FIAB COc1ccc(CSCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 225592680 SEMYRROPOTWHBC-UHFFFAOYSA-N 369.408 4.264 0 40 FIAB S=C(NCCCSCc1ccccc1Cl)Nc1cccnc1 225608323 FOLAQPUICNDZOB-UHFFFAOYSA-N 351.928 4.345 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCCC1 225628731 WZMMNHGTRLDCQN-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2cccc3cccnc23)CC1 225705797 KVWZEXGWMZHBPG-UHFFFAOYSA-N 371.440 4.400 0 40 FIAB COc1ccc2cc(S(=O)(=O)Nc3cccc(OC(C)C)c3)ccc2c1 225790291 MRSVZORLFBFYSE-UHFFFAOYSA-N 371.458 4.436 0 40 FIAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)C1 231427179 OBTVQDXULWUSOW-DTORHVGOSA-N 356.702 4.313 0 40 FIAB Cc1cc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)[nH]n1 257309850 UCQFEHFAHSQHBP-UHFFFAOYSA-N 367.497 4.143 0 40 FIAB COCCn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl 409120324 VAFJBKGVRQKEDN-UHFFFAOYSA-N 373.909 4.461 0 40 FIAB O=C(Cc1cccc2ccccc12)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 553044032 RINJOORULABNNF-WXFUMESZSA-N 371.480 4.413 0 40 FIAB COCc1cc(Cl)ccc1NC(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@H]21 667276973 UPZXNCPWZIKDRL-CGTJXYLNSA-N 360.816 4.085 0 40 FIAB Cc1ccc(-c2nc(CC(=O)N3Cc4ccccc4OC[C@H]3C)cs2)o1 679862895 UZKDRUDDTPHJJD-CYBMUJFWSA-N 368.458 4.064 0 40 FIAB NC(=O)/C=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 1615892571 YKFLWSULTIDADE-BAQGIRSFSA-N 366.642 4.180 0 40 FIAB O=C(NOCCOc1ccccc1)c1cc(-c2ccccn2)ccc1Cl 1640501160 MULLBYMVHXCRLX-UHFFFAOYSA-N 368.820 4.142 0 40 FIAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)cc1 1662946359 JHWGSQLVXREHPC-JOCHJYFZSA-N 363.482 4.483 0 40 FIAB CC(C)=CCCn1c(-c2cccnc2)nnc1N1CCC[C@H]2CCC[C@@H]21 1706207932 WEUBYEWDCAZAQH-MJGOQNOKSA-N 351.498 4.465 0 40 FIAB Cc1ccccc1-c1nc2c3cnn(-c4ccc(Cl)cc4)c3ncn2n1 2404291 FCYQCRCAKMHDGY-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1cccc(C)c1 17076231 JAINNNLLZNFYBD-UHFFFAOYSA-N 372.424 4.486 0 40 FIAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(OCc2ccccc2)cc1 2529026 MMCZTLOPEDASPR-GOSISDBHSA-N 371.433 4.306 0 40 FIAB C[C@H]1CCc2c(sc3ncn4c(SCc5ccccn5)nnc4c23)C1 929665 VZNWJTKNPUXWHY-NSHDSACASA-N 367.503 4.151 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 7928170 BIHABWNLJVLMKA-INIZCTEOSA-N 370.880 4.456 0 40 FIAB Cc1ccc(-c2nc(CC(=O)NCCc3ccc(Cl)cc3)cs2)o1 32815876 SDNXDFGTAPLEKO-UHFFFAOYSA-N 360.866 4.266 0 40 FIAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCCC3)cc2)c1 10327089 DLSRBLHKSNGNJJ-UHFFFAOYSA-N 368.546 4.254 0 40 FIAB O=C(Nc1ccccc1F)c1cccc(OCc2cn3ccccc3n2)c1 17639386 INWKRUOMNNNMOY-UHFFFAOYSA-N 361.376 4.305 0 40 FIAB CN(C(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2o1 32901879 RVZDJGXOVQQZCN-UHFFFAOYSA-N 351.189 4.176 0 40 FIAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1C 2788669 VLDJBJNTYDMDCN-HNNXBMFYSA-N 371.264 4.307 0 40 FIAB O=C(Nc1cccc(-n2ccnc2)c1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103247310 AEHZOAVUWSFYAY-SNEKZUEESA-N 355.869 4.389 0 40 FIAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccccc2)cc1OC 9956406 BRPIIFJACDUDMC-XYDKVEKUSA-N 351.446 4.471 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)cs1 936143 HBHPMVTVTNFERM-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB COc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 23493624 XCGSJJWIWWCAGC-UHFFFAOYSA-N 371.477 4.039 0 40 FIAB CCOc1ccc([C@H]2OC(=O)Cc3cc(OCC)c(OCC)cc32)cc1 1293555 BPHLGCOZBZELGJ-OAQYLSRUSA-N 356.418 4.071 0 40 FIAB biogenic CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1ccc(C)cc1 1392082 HDWAGASDUIXBPP-UHFFFAOYSA-N 351.431 4.175 0 40 FIAB Cc1c(C(=O)CSc2c(Cl)cccc2Cl)sc2ncnn12 1402666 FDUSIGLFZMMEFN-UHFFFAOYSA-N 358.275 4.381 0 40 FIAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3)nc2c1 21596310 CSNWADYRJFHODY-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB CCCCCC(=O)NC(=S)Nc1c(F)cc(F)cc1Br 3296208 GNXKIEDADLNGMT-UHFFFAOYSA-N 365.243 4.121 0 40 FIAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NC(C)C)c1 409027148 ATQZMMFNWWSTSP-UHFFFAOYSA-N 370.518 4.314 0 40 FIAB Cc1nc(N[C@@H](C)C(=O)NC2CCCC2)c2c(CC(C)C)csc2n1 48333022 SOYLHNHQZWJUAD-LBPRGKRZSA-N 360.527 4.057 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(F)c(F)c1 3422790 FIBOJHWRTQEBLS-UHFFFAOYSA-N 369.723 4.020 0 40 FIAB CC[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 22618587 POQRXGPWTKLQLY-XHDPSFHLSA-N 359.297 4.053 0 40 FIAB C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccccc1Cl 63808948 BBXPVASLOYZFJO-VIFPVBQESA-N 359.838 4.142 0 40 FIAB CCOc1ccc(C2=C[C@H](C(C(C)=O)C(C)=O)c3ccccc3O2)cc1 4116340 HQPCTBWEANYTSL-IBGZPJMESA-N 350.414 4.397 0 40 FIAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccc2c(c1)OCCO2 13693168 ZTNCAKACGZSDHM-UHFFFAOYSA-N 370.405 4.281 0 40 FIAB CCOC(=O)[C@@H](C)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340333 AETUZPKHLDPNFH-CQSZACIVSA-N 352.386 4.099 0 40 FIAB biogenic Cc1cc(O[C@H](C)C(=O)NCCSCc2ccco2)cc(C)c1Cl 408705418 FGQFVNLDAVFQSC-CQSZACIVSA-N 367.898 4.367 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2OC(F)F)cc1 6329590 KWLAJJUMRYGXDM-UHFFFAOYSA-N 363.360 4.288 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 14023225 FHUSDAPOALNMMQ-LJQANCHMSA-N 358.438 4.330 0 40 FIAB CCCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4554671 JDPFSVSJZLGSKD-HSZRJFAPSA-N 359.425 4.057 0 40 FIAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)c(C)c2c1 5452256 CINDZUWBEGPXCY-KRWDZBQOSA-N 352.434 4.210 0 40 FIAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCO2 6528360 TUCDILSXBWBVMU-UHFFFAOYSA-N 356.230 4.453 0 40 FIAB CCN(C(=O)CSc1nnc(Nc2ccccc2)s1)c1ccccc1 6560275 NMPYCWOEMSTAMM-UHFFFAOYSA-N 370.503 4.427 0 40 FIAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccco3)cc2)CC1 6515674 BEODKMKUCJAQOW-CMDGGOBGSA-N 369.490 4.042 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)c1nn2c(Cc3ccc(F)cc3)nnc2s1 4667810 NQGVTGNHYBQUPF-LLVKDONJSA-N 372.400 4.195 0 40 FIAB CC(C)[C@H](NC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCCO2 6789672 XGEZJTQEGQFIFN-FQEVSTJZSA-N 351.402 4.331 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)CCC(=O)c1cc(C)sc1C 4883331 DPJCBZDAZZOEQX-UHFFFAOYSA-N 374.458 4.282 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)N1CCC[C@@H]1c1cccs1 6850004 NVFGYCKFRVXKDX-WAFBPQNNSA-N 352.253 4.481 0 40 FIAB CCOc1ccc(NC(=O)C[C@@H]2CC(=O)Oc3cccc(Cl)c32)cc1 80345819 BTRKVYIMRKKEFC-GFCCVEGCSA-N 359.809 4.160 0 40 FIAB COc1ccccc1CCC(=O)Nc1cc(C)c(-n2cccc2)cc1OC 71285606 GVUYSIROBIECEI-UHFFFAOYSA-N 364.445 4.374 0 40 FIAB COCc1cccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1 68435909 LKJPMWZXUCXMKA-UHFFFAOYSA-N 353.447 4.221 0 40 FIAB C[C@@H](Sc1nnnn1C1CCCCC1)c1nnc(-c2ccccc2)o1 16295492 QFIOLBZJJHKPJU-GFCCVEGCSA-N 356.455 4.082 0 40 FIAB COc1cccc(Nc2nnc(Sc3ncnc4sccc34)s2)c1 8193643 VQLMNZBGMHXBNH-UHFFFAOYSA-N 373.488 4.446 0 40 FIAB CCOc1ccc(-c2nc(NC(=O)Cc3c(C)n[nH]c3C)sc2C)cc1 8231695 FBKGCBUBQSUOJS-UHFFFAOYSA-N 370.478 4.038 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)c2cccc(F)c2)n1 9494246 VKPNXYSEYSVHMW-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409015289 ZIDKMPGRLARHLG-ITTMYVLYSA-N 370.268 4.293 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2Br)n1 84229371 PWYPNKYDNUELFN-UHFFFAOYSA-N 359.145 4.424 0 40 FIAB O=C(Nc1n[nH]c(C2CCC2)n1)c1ccccc1OCc1ccc(F)cc1 95940282 SAGZUQBKFBZALN-UHFFFAOYSA-N 366.396 4.043 0 40 FIAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc3ccccc3c2)c1 89626488 QGASUUPSBXUEMK-UHFFFAOYSA-N 374.469 4.407 0 40 FIAB O=C(O)c1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1Cl 514729663 KLZLTISTZWQKCQ-UHFFFAOYSA-N 357.837 4.133 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 525121534 RJBMBOUYBNFHAH-JENIJYKNSA-N 352.478 4.148 0 40 FIAB Cc1ccccc1Cc1cccc(C2CCN(Cc3nccn3C)CC2)n1 72350010 UESXNXINOIVISR-UHFFFAOYSA-N 360.505 4.094 0 40 FIAB Cn1ncc2c(C(=O)Nc3ccc(F)c(F)c3)cc(-c3ccccc3)nc21 36616069 FNYXTZVZORBSKL-UHFFFAOYSA-N 364.355 4.166 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)CC(C)(C)O2 219289537 JMZBSVWCGRKMCF-QAPCUYQASA-N 369.461 4.190 0 40 FIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224137911 BGYJGQQMIQOFTA-INIZCTEOSA-N 361.869 4.228 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225162972 VOCOWBJKARXIRD-CQSZACIVSA-N 370.474 4.358 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224387926 TXDRQTWSYTZPQJ-MSOLQXFVSA-N 353.422 4.299 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 224989274 VOQYVBICIBSCEH-KRWDZBQOSA-N 366.933 4.268 0 40 FIAB O=C(NCCSC1CCCC1)c1ccc(CN2CCCCCC2)cc1 224566274 VMHVPGYOQWMWHU-UHFFFAOYSA-N 360.567 4.468 0 40 FIAB O=C(NCc1cccnc1-c1cccs1)c1ccc(C(F)(F)F)nc1 225761601 VLYZXEGDZLMMSA-UHFFFAOYSA-N 363.364 4.154 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2cccc3c2CCCC3)c1C 225235979 DQCOIXPOVBREFJ-UHFFFAOYSA-N 367.445 4.068 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225620914 ZXQWGFVPBQUJAQ-CRAIPNDOSA-N 357.450 4.047 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224959120 XUVNJAPAFPSGPR-OAQYLSRUSA-N 368.477 4.482 0 40 FIAB CCC(C)(C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 225267824 ZPYHIWVQMQJJDG-LGMDPLHJSA-N 356.491 4.132 0 40 FIAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)cn1 96037409 ZGGOHAGJUQMISQ-UHFFFAOYSA-N 358.445 4.499 0 40 FIAB C[C@@H](c1nc([C@@H]2C[C@H]2c2ccccc2)no1)S(=O)(=O)c1ccc(F)cc1 685383196 XUUSWGLCIDTPBW-AFAVFJNCSA-N 372.421 4.015 0 40 FIAB Brc1cnc(NC[C@H](c2ccsc2)c2ccco2)nc1 1775969586 BTVOQBIIYMRKIY-GFCCVEGCSA-N 350.241 4.138 0 40 FIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@@H]2C[C@@H]2C1 663418216 BTPGNVDGKBIUTG-QWFCFKBJSA-N 359.473 4.351 0 40 FIAB Cc1cccc(NC(=O)/C=C/c2c(F)cccc2F)c1C(=O)N1CCCC1 44537631 FIURYMQHATUYER-ZHACJKMWSA-N 370.399 4.161 0 40 FIAB CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2nc3ccccc3o2)o1 65606341 RVOGRVNMKUPEMR-KRWDZBQOSA-N 360.417 4.073 0 40 FIAB CCOC(=O)CSc1nc(/C=C/c2ccccc2)nc2ccccc12 5012951 ZHYJSOZAGDFHPP-OUKQBFOZSA-N 350.443 4.455 0 40 FIAB CC(C)n1cnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1 5417772 TYCKJRBCEPCKOE-UHFFFAOYSA-N 368.462 4.382 0 40 FIAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2-c2ccco2)on1 12184340 XDKGKABHIODYAK-UHFFFAOYSA-N 350.353 4.451 0 40 FIAB CC[C@@H](C)[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 12799619 KNIONYAIEHOMRA-QRWLVFNGSA-N 350.462 4.347 0 40 FIAB CN(Cc1cccc(F)c1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 12918047 FLWFLVSMCULURD-QFIPXVFZSA-N 365.448 4.364 0 40 FIAB O=S(=O)(NCCCc1ccccc1Cl)c1ccc2ccccc2c1 13674356 IBQSICZLHHWNFO-UHFFFAOYSA-N 359.878 4.404 0 40 FIAB CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)o1 14232070 RECFOWOGRFXBDQ-CYBMUJFWSA-N 369.446 4.255 0 40 FIAB COc1cc(C(=O)NC2CCCCCC2)ccc1OCc1c(C)noc1C 15617545 IFRIIRBPFDXBQT-UHFFFAOYSA-N 372.465 4.332 0 40 FIAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1Br 16985286 IBKKOBWNZZEMKE-UHFFFAOYSA-N 374.278 4.444 0 40 FIAB COc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC1CCCC1 19550127 LVUIPOZXMFASPQ-QHCPKHFHSA-N 367.489 4.110 0 40 FIAB COc1cccc(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)c1 19564976 CQGNTYFNESCIAZ-UHFFFAOYSA-N 372.852 4.094 0 40 FIAB O=C1C[C@@H](c2ccccc2)C(=O)N1c1c2c(nc3ccccc13)CCCC2 1772491239 ABVXIORLAIDEBE-SFHVURJKSA-N 356.425 4.161 0 40 FIAB CCOc1ccc(CC(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 4120404 HSAMOJQRFVNNJZ-UHFFFAOYSA-N 368.502 4.068 0 40 FIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1COc2ccccc2O1 4224236 JNMNORAYJPHYLX-MRXNPFEDSA-N 372.833 4.242 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccncc1 4329856 RONNDCZHTFRFNL-SFHVURJKSA-N 352.825 4.174 0 40 FIAB CCSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 5240718 HXDKDQDZTBADJC-UHFFFAOYSA-N 360.504 4.090 0 40 FIAB Cc1ccsc1CN1C[C@@H]2CCC[C@@H](N(C)Cc3ccncc3)[C@H]2C1 2055746515 RGJAUYIHVBAVMY-SLFFLAALSA-N 355.551 4.184 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1cncc(-c2ccsc2)c1 206944029 YZCYRZSCPFZWCO-UHFFFAOYSA-N 358.850 4.159 0 40 FIAB Cc1ccccc1CN1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 69779129 XWYSQRFIJZNOFD-JOCHJYFZSA-N 354.538 4.388 0 40 FIAB CC(C)OCCC(=O)OCc1cn(-c2ccccc2)nc1-c1cccs1 40157142 DBOASVJYWRDSKJ-UHFFFAOYSA-N 370.474 4.459 0 40 FIAB COc1cccc(CC(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)c1 40107914 QLUICGRKRIDLEV-QGZVFWFLSA-N 352.478 4.108 0 40 FIAB O=C(Nc1ccccc1F)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 40283096 UAHWXZZAGNHMHZ-UHFFFAOYSA-N 373.767 4.264 0 40 FIAB COc1cccc(N2C(=O)c3ccc(-c4nc5ccccc5o4)cc3C2=O)c1 692740 VGADZCVMALWGFD-UHFFFAOYSA-N 370.364 4.304 0 40 FIAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1ccc(Cl)cc1 869744 LBJQDHFEJMERKF-UHFFFAOYSA-N 357.763 4.073 0 40 FIAB CC(C)N(C(=O)CSc1ncnc2sc3c(c12)CCCC3)C(C)C 912339 RPYPYDWLLBXYAP-UHFFFAOYSA-N 363.552 4.308 0 40 FIAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCC[C@@H]4C)cc1 1240603 LRIJHZUSNZPKFF-LBPRGKRZSA-N 364.474 4.152 0 40 FIAB O=c1c2ccccc2nc2n1[C@@H](CSc1cccc(Cl)c1)CS2 1405468 NVUKWEXECVHPEI-LBPRGKRZSA-N 360.891 4.489 0 40 FIAB CCCCCc1nc(N)nc(-c2nc(N)nc(CCCCC)c2C)c1C 1588447 KKMWUSOFHIAFHK-UHFFFAOYSA-N 356.518 4.180 0 40 FIAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc1 2110798 XFUSOAFMRKRHNP-QZTJIDSGSA-N 365.477 4.104 0 40 FIAB biogenic O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)[C@H]1c1ccccc1 2314500 QCTWYOXBVNWMSS-IRLDBZIGSA-N 356.425 4.420 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1F 2662800 KVXAJUCIXONDAK-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccc(Cl)cc1 3327638 MJCGBPIXDBGEMZ-JTQLQIEISA-N 356.775 4.216 0 40 FIAB CN(C)CCN(C(=O)C1CCCCC1)c1nc2c(F)cc(F)cc2s1 4359421 WMPOFCWIGXYBIK-UHFFFAOYSA-N 367.465 4.049 0 40 FIAB Cc1ccc(Cn2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c3ccccc32)cc1 4483701 IUWFRBGHXDKWNK-UHFFFAOYSA-N 370.452 4.126 0 40 FIAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1 5642647 IZAJVLBYLZXLCA-OAHLLOKOSA-N 365.886 4.378 0 40 FIAB COCCn1c(S[C@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6035110 VSRWBOJDMLECEV-CYBMUJFWSA-N 358.438 4.035 0 40 FIAB Cc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(Cl)c1 6128138 LVUMVUWRTHHVBY-UHFFFAOYSA-N 350.805 4.401 0 40 FIAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)cc1F 6460870 NKWLTQQWHLGTSQ-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB CCc1ccc(C(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 6657602 MCHPWGOAZKVVQR-GOSISDBHSA-N 353.491 4.350 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)c1cccs1 6976244 ZRKHMJLNHXRGJZ-LLVKDONJSA-N 357.306 4.364 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)[nH]c2c1 7318547 UZGBEXYGKAWLCA-LBPRGKRZSA-N 371.462 4.083 0 40 FIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc2c(c1)CCC2 7580811 RRULSJHHARNCHM-UHFFFAOYSA-N 366.486 4.471 0 40 FIAB O=C(c1ccc(F)cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7596563 UTKUXPNPKYMPSY-UHFFFAOYSA-N 371.799 4.334 0 40 FIAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCSc2ccccc21 8394124 RKLIZWXYSKLFCY-UHFFFAOYSA-N 360.287 4.294 0 40 FIAB COC(=O)c1ccc(CNc2nc(C(F)(F)F)nc3ccccc23)cc1 8761934 LTMNEZOMYIABTF-UHFFFAOYSA-N 361.323 4.047 0 40 FIAB Cc1sc2nc([C@H](C)Sc3ncnc4ccsc34)[nH]c(=O)c2c1C 8981750 NEELXOOCZQMUGT-VIFPVBQESA-N 374.516 4.459 0 40 FIAB C[C@]1(c2ccco2)NC(=O)N(Cc2ccccc2Oc2ccccc2)C1=O 9753185 FPAWCKJKPXGCHN-OAQYLSRUSA-N 362.385 4.039 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)C1c2ccccc2Oc2ccccc21 9917187 QQAWBQVHVSZYAB-UHFFFAOYSA-N 372.468 4.302 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3n[nH]c(=O)c4ccccc34)cc2)cc1 10630996 GIAIWUGGIFIFQY-UHFFFAOYSA-N 371.396 4.276 0 40 FIAB COc1cccc(OCc2noc3cc(OC(=O)C(C)(C)C)ccc23)c1 11854102 QKLSEQKBXFCULP-UHFFFAOYSA-N 355.390 4.367 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(O)nc2ccccc12 11917920 QBZFZWOSRQBPMQ-UHFFFAOYSA-N 362.385 4.234 0 40 FIAB COc1cc(Cl)ccc1Oc1ccc2nnc(-c3ccccc3)n2n1 12322056 VTORPYPFIHTHTD-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 12771615 UIZYRSBHLIDHGR-UHFFFAOYSA-N 365.882 4.293 0 40 FIAB O=C(Nc1cc(F)cc(F)c1)c1cnn(-c2ccccc2)c1C(F)(F)F 12816487 QWOJPUVAPKHUCW-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2F)c1 14016898 RMIAJLGAQUNDGS-KRWDZBQOSA-N 362.376 4.351 0 40 FIAB C[C@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc12 14157448 CZDZLNZAPGIGON-MBSDFSHPSA-N 374.484 4.091 0 40 FIAB CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)o1 14232067 RECFOWOGRFXBDQ-ZDUSSCGKSA-N 369.446 4.255 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 15080497 LVNYIVPSAIFHAS-KRWDZBQOSA-N 370.880 4.393 0 40 FIAB CSCc1nc2ccccc2n1CC(=O)Nc1c(C)cc(C)cc1C 15667973 IVTDNRGVMPQQCK-UHFFFAOYSA-N 353.491 4.463 0 40 FIAB Cc1cc(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)ccc1Cl 15860791 NCAKIVUEPIGARW-OAHLLOKOSA-N 356.853 4.315 0 40 FIAB CCn1nc(C)c([C@@H](C)NC(=O)c2cc(C)nc3c(C)cccc23)c1C 19523761 QCIJBVQSYPBHKF-CQSZACIVSA-N 350.466 4.176 0 40 FIAB C[C@@H](NC(=O)COc1ccccc1Cl)c1cccc(Br)c1 20022763 LLQMIBHDPAMRBB-LLVKDONJSA-N 368.658 4.359 0 40 FIAB CCCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20151309 LKUUFBHCQCNALV-UHFFFAOYSA-N 366.870 4.096 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccccc1 20159841 NAHMPAMAUYCXGU-CQSZACIVSA-N 359.447 4.018 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 20456233 NXXZMSNETXJPSS-QGZVFWFLSA-N 374.868 4.276 0 40 FIAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)F)cc1 21074227 AQVHLCILIXVYQC-UHFFFAOYSA-N 361.266 4.117 0 40 FIAB CCCSc1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 21786089 FUXXVSLMRSZHIJ-UHFFFAOYSA-N 352.466 4.009 0 40 FIAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 21913442 BIKWNVHSINAPMP-AWEZNQCLSA-N 373.884 4.039 0 40 FIAB Cc1nc2cc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)ccc2o1 22008162 IGFYNJGHPKPESF-UHFFFAOYSA-N 366.808 4.287 0 40 FIAB CN(C)CCN(Cc1ccncc1)Cc1ccc(-c2ccc(F)cc2)o1 22913816 FRUYPFVBWNYKKV-UHFFFAOYSA-N 353.441 4.045 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)NCCC(c1ccccc1)c1ccccc1 24663570 PJRNBVDPMCNHBF-UHFFFAOYSA-N 362.477 4.381 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1-n1cncn1 25004544 AVQVVJLNNNNCIA-UHFFFAOYSA-N 363.808 4.030 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCc2ccccc2C1 27339310 BZLGOUCJXBYQJZ-UHFFFAOYSA-N 362.429 4.069 0 40 FIAB CCn1cc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cn1 27921630 MQLQEBYGBUDLSH-UHFFFAOYSA-N 373.416 4.181 0 40 FIAB Cc1nc2c(-c3cccs3)nc(=O)n([C@H](C)c3ccccc3)c2s1 32616355 ILTSADJDYVZGSG-LLVKDONJSA-N 353.472 4.499 0 40 FIAB Cc1nnc(NC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)s1 36366655 XEAYOJXGGLPLOQ-UHFFFAOYSA-N 372.837 4.348 0 40 FIAB C[C@H](NCCN(C)C)[C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 36370928 OQLPSYJNZRYLOQ-QKBRXQIZSA-N 370.581 4.404 0 40 FIAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NC(C)(C)C 36396306 KNFQSDRQKYBZCQ-CQSZACIVSA-N 354.454 4.046 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccccc3Cl)c12 36617391 ZZEGNSARSUKBGH-UHFFFAOYSA-N 367.792 4.375 0 40 FIAB O=C(c1cccs1)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 36705233 AUXHARUFXFSWMT-OAHLLOKOSA-N 369.515 4.210 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1 40154759 RVGDNIJHGKYOKT-CALCHBBNSA-N 369.509 4.138 0 40 FIAB COc1ccc(CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)c(OC)c1 43278658 FBYJKCQUAPIUFK-UHFFFAOYSA-N 368.355 4.387 0 40 FIAB Cc1cccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)c1 44169624 SKRJFNJSUCTRBF-UHFFFAOYSA-N 363.486 4.476 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1Cl 44849528 UERQKFSRYCGFBU-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccsc3)n2)on1 47265512 TZRFTULZTLJZFO-AWEZNQCLSA-N 359.476 4.074 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc2ccc(-n3cccc3)nc12 49027996 KKRSESSDAUEGFL-MRXNPFEDSA-N 357.413 4.432 0 40 FIAB Fc1ccc(CN(Cc2ccccc2)Cc2nnnn2C2CCCC2)cc1 57614116 IRNUSTDMYZGYAD-UHFFFAOYSA-N 365.456 4.130 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1cc(OC)cc(OC)c1 58257959 WSZXELHTYSWBNC-GOSISDBHSA-N 359.491 4.234 0 40 FIAB CC(C)[C@@H](C)N(C1CC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 59829265 BBFQSXFARGUMSW-SNVBAGLBSA-N 367.845 4.139 0 40 FIAB O=C1COc2ccc(Br)cc2CN1Cc1ccc(Cl)cc1 65184435 IYQYQKTTXJQHJQ-UHFFFAOYSA-N 366.642 4.024 0 40 FIAB O=C(O[C@H](c1ccccc1)c1ccncc1)c1c(Cl)nc2ccccn12 68724490 FRNGCLAZVJAOJR-GOSISDBHSA-N 363.804 4.329 0 40 FIAB O=C(CCn1ccc2ccc(F)cc21)Nc1nc(-c2ccccn2)cs1 71284898 QRWYGGATPQEXCZ-UHFFFAOYSA-N 366.421 4.328 0 40 FIAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccncc1 72404170 YXNCODXZIHCWSV-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB CC(C)c1nc2cc(NC(=O)c3ccccc3Cn3cccn3)ccc2o1 78869711 IBITWFGVFLOVAD-UHFFFAOYSA-N 360.417 4.448 0 40 FIAB OC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2cccnc2)SC1 79487732 ADEPGXAMGLOWOF-INIZCTEOSA-N 358.467 4.303 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnc(Cc2ccc(F)cc2)s1 84718118 QDKPEOAMNBZJAC-CYBMUJFWSA-N 352.434 4.464 0 40 FIAB COc1ccc(SCC2CCN(C(=O)c3ccccc3F)CC2)cc1 85472331 JGPHJWYWMHFUGY-UHFFFAOYSA-N 359.466 4.479 0 40 FIAB COc1ccc2oc(C)c(C(=O)N(C)[C@H](C)Cc3ccc(O)cc3)c2c1 89534363 PHSZKJTYSYYOMR-CYBMUJFWSA-N 353.418 4.159 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1)N1CC=C(c2c[nH]c3ccccc23)CC1 89866587 KXXWXGBDLLFOEQ-UHFFFAOYSA-N 372.877 4.299 0 40 FIAB C[C@@H](CC(=O)NCc1ccnc(N2CCCCCC2)c1)c1ccccc1F 89894540 HQTFBTKMNXDUDC-KRWDZBQOSA-N 369.484 4.411 0 40 FIAB CCCCOc1ccc(NC(=O)N(C)[C@@H]2CCN(CC)C[C@@H]2C)c(C)c1 89954813 CSPXWZBTQINIID-FXAWDEMLSA-N 361.530 4.368 0 40 FIAB CCN(Cc1ccccn1)C(=O)Nc1nn(-c2ccccc2Cl)cc1C 92191358 GZRAMEJNEVYGRN-UHFFFAOYSA-N 369.856 4.283 0 40 FIAB CCCCc1cc(NC(=O)Cc2coc(-c3ccc(Cl)cc3)n2)[nH]n1 104872390 AHFAAVMPYABDRR-UHFFFAOYSA-N 358.829 4.242 0 40 FIAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(C)cc2)c2ccccc2O1 222970856 KTVHCAPJRATJAD-IBGZPJMESA-N 373.518 4.497 0 40 FIAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223519234 OCSTXWNWFWUPNK-KRWDZBQOSA-N 367.489 4.436 0 40 FIAB COc1ccc(OCc2cc(C(=O)NC3CCCCC3)ccc2OC)cc1 224262193 AIBFBONMJCCRBE-UHFFFAOYSA-N 369.461 4.345 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 224305545 YUJWUXCAMCMRSM-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc(C)c(C)c1 224627022 XJPHKFCTCYEPNN-QGZVFWFLSA-N 371.477 4.046 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c(C)c1 225168233 WKZVKLQEXAAEJH-SFHVURJKSA-N 367.489 4.145 0 40 FIAB COc1ccc([C@H]2CC(c3ccsc3)=NN2C(=O)c2ccco2)cc1O 225536858 CZLHHUCOFUCRQF-OAHLLOKOSA-N 368.414 4.047 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccccc1Cl 225738835 CDRCHVQRMKHSEI-CQSZACIVSA-N 359.926 4.468 0 40 FIAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 225811040 HHHAFFAMNKSVQZ-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB O=C(O)CCc1ccc(-c2ccc(Br)cc2Br)o1 226344930 VNYYMWWXXFXZBM-UHFFFAOYSA-N 374.028 4.489 0 40 FIAB c1ccc(-c2noc([C@@H]3CCN(Cc4ccc5ccccc5n4)C3)n2)cc1 257227419 FPEIKVJKVGFXER-GOSISDBHSA-N 356.429 4.274 0 40 FIAB COc1ccc(Cl)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260780915 RWESUUNERWELMM-ZTFRIQLXSA-N 359.882 4.333 0 40 FIAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 408708720 LMOXJQOFIVJBPD-UHFFFAOYSA-N 368.477 4.026 0 40 FIAB COc1ccccc1OCCOc1ccc(C(=S)N2CCCCC2)cc1 409206856 MKTIIZRBBWTERW-UHFFFAOYSA-N 371.502 4.314 0 40 FIAB CCn1ncc(NC(=O)N2CCC=C(c3ccccc3)C2)c1C(F)(F)F 500202261 NWMZYOGYOXJVCF-UHFFFAOYSA-N 364.371 4.243 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC3(C)C)nn2-c2ccccc2)cc1 530848448 MZRAPDRMJOLPOO-UHFFFAOYSA-N 361.445 4.172 0 40 FIAB COc1ccc2cc(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)n(C)c2c1 583652559 PTIQBHCYXHSCTK-LJQANCHMSA-N 373.456 4.476 0 40 FIAB CCN(CC)C(=O)c1cccc(N[C@H]2CCc3c2ccc(OC)c3F)c1 585083707 VZRPVUDQXQHOTH-SFHVURJKSA-N 356.441 4.416 0 40 FIAB COc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)cn1 1525472080 MKHWMZGVIKYBPL-PMACEKPBSA-N 352.478 4.208 0 40 FIAB Cn1ccc([C@H]2CCCCCN2Cc2cccc(OC(F)(F)F)c2)n1 2037834547 PBPZQMVFHATXQA-QGZVFWFLSA-N 353.388 4.436 0 40 FIAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242803 RPGPPOBIAFBJEC-AXRVMRSRSA-N 369.484 4.214 0 40 FIAB c1ccc(N2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)cc1 715263 USUIZJSVHZVCDM-UHFFFAOYSA-N 364.518 4.287 0 40 FIAB Cc1cccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 1336842 ZPMSOIZCMHDSIT-UHFFFAOYSA-N 356.466 4.426 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccccc2I)c1 2654986 YQUFQURDYQMXOY-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 3072844 QDLCPKMBOHVWIT-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB O=C1OC(c2ccc(-c3ccccc3)cc2)=N/C1=C/c1ccc(C(=O)O)cc1 3362571 JNFNVGACTRPCEX-XSFVSMFZSA-N 369.376 4.396 0 40 FIAB CCCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 4161492 CDKUOTXSENHFMD-UHFFFAOYSA-N 374.441 4.208 0 40 FIAB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2)nc1Cc1ccccc1 4492527 HODGHBBBMXOURO-OAHLLOKOSA-N 351.475 4.428 0 40 FIAB CCOc1ccc(N(C(=O)Nc2cccc(OC)c2)C2=NCCC2)cc1 4570564 SWIHYUSQOUDYOI-UHFFFAOYSA-N 353.422 4.325 0 40 FIAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854366 LQURNUJELCGXPK-IBGZPJMESA-N 353.372 4.403 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)o2)cc1 5210678 YATPNHFCXXNBDR-CQSZACIVSA-N 353.447 4.015 0 40 FIAB CC(=O)N1CCCc2ccc(NC(=O)c3ccccc3Br)cc21 5252241 FOLOCGDHVGZACC-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB CSc1ccccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5268960 DLNCPQDBFXYKHZ-UHFFFAOYSA-N 368.433 4.010 0 40 FIAB COc1ccc(-c2nnc(SCCOc3cccc(C)c3)o2)c(OC)c1 5392060 GIOGAXUJGRVBSL-UHFFFAOYSA-N 372.446 4.233 0 40 FIAB O=C(CSc1cccc[n+]1[O-])c1c(-c2ccccc2)[nH]c2ccccc12 5779910 PREMUTFJMGGUTM-UHFFFAOYSA-N 360.438 4.443 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(SC(F)F)cc1 5798502 GNYMLGTVNWYIQB-OAHLLOKOSA-N 367.373 4.300 0 40 FIAB CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc3ccccc3c2)c1 5841689 NCFGTGCLTKJXEG-UHFFFAOYSA-N 362.429 4.452 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 6517651 PZEGXSQMVRJJLZ-UHFFFAOYSA-N 365.521 4.378 0 40 FIAB CC(C)(C)c1ccc(OCc2nnc(SCc3ccccc3)n2N)cc1 6532958 VPODIEZZSAVNOO-UHFFFAOYSA-N 368.506 4.161 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(OCC)c(OC)cc2Cl)C1=O 6655909 AVISUFKEUIYGQN-RIYZIHGNSA-N 355.843 4.194 0 40 FIAB CCOc1cc(NC(=O)c2ccccc2Cl)c(C(=O)O)cc1OCC 6850829 MFJHBYXULFUQOJ-UHFFFAOYSA-N 363.797 4.088 0 40 FIAB CCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 6936357 XHGDEKZFWVLIGL-UHFFFAOYSA-N 372.490 4.157 0 40 FIAB COc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1F 7478503 DCJBXRBWZJZWIF-UHFFFAOYSA-N 374.799 4.339 0 40 FIAB CCn1c2ccccc2c2cc(NC(=S)NC[C@H]3CCCO3)ccc21 7527854 FLTDRYPKLOSNPY-OAHLLOKOSA-N 353.491 4.280 0 40 FIAB CCC[C@H](NC(=O)[C@H](C)Sc1nnc(C)n1C1CC1)c1ccccc1 7618052 VPHGNIBYYBGLFA-GUYCJALGSA-N 358.511 4.060 0 40 FIAB C[C@H](SCC(=O)Nc1nc2c(s1)CCCC2)c1nc2ccccc2[nH]1 7738514 SNEHASBVVDKFON-NSHDSACASA-N 372.519 4.331 0 40 FIAB COc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 7918674 XHEAKKAJKVOSBG-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB Ic1cccc(OCc2nc3ccccc3o2)c1 8222191 KMPPHMHOIOMSHO-UHFFFAOYSA-N 351.143 4.011 0 40 FIAB COc1cccc2cc(/C=C/C(=O)Nc3cccc(NC(C)=O)c3)oc12 8728934 KLEHVHYJNGDWEF-MDZDMXLPSA-N 350.374 4.052 0 40 FIAB COc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1 9226486 NQTXMJYZRRRPOC-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc4c(c3)C[C@H](C)O4)S2)cc1 10299400 IWDCTUCFSWKEPZ-FHXOWUIVSA-N 350.443 4.401 0 40 FIAB CCOc1cc(C(=O)Nc2nc(C)cs2)ccc1OCc1ccncc1 12537425 QWMATTUCQLWLTK-UHFFFAOYSA-N 369.446 4.077 0 40 FIAB CC(=O)N(c1nc(COC(=O)C[C@@H]2C=CCC2)cs1)c1ccccc1F 12854130 OECJDLZJUIFWKD-CQSZACIVSA-N 374.437 4.366 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C/c1cnc2ccccc2n1 12889681 AVBBIUZSCYPWBY-ZHACJKMWSA-N 371.362 4.320 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc3ncsc3c1)O[C@@H](C)C2 12903436 IUPZZVYVVYPGQF-NSHDSACASA-N 354.431 4.271 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1nccc2c1[nH]c1ccccc12 13309769 LUJBDOLOVXZOHV-UHFFFAOYSA-N 354.413 4.170 0 40 FIAB biogenic,in-vitro CCOc1ccccc1C(=O)N[C@@H](C)c1nc(-c2ccccc2Cl)no1 13494846 BOCXVNVLMYPGCQ-LBPRGKRZSA-N 371.824 4.280 0 40 FIAB CCOc1ccccc1CCCNC(=O)c1ccc(N2CCCCC2)cc1 13649338 JZZZLSMXSJQLNN-UHFFFAOYSA-N 366.505 4.438 0 40 FIAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(Cc1cccnc1)C3 13735216 DAQKHPFOTIUTHO-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB COc1ccnc(NC[C@H](c2cccs2)c2c[nH]c3ccccc23)n1 14124031 HYUNSEDEUKYVHQ-HNNXBMFYSA-N 350.447 4.272 0 40 FIAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)OCC)c2)c1C 14405512 TZELMKXEIVJQMX-UHFFFAOYSA-N 358.442 4.121 0 40 FIAB C[C@H](Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccccc1 16577004 WBDLWPXLYBRVFY-PQSRSFJPSA-N 359.425 4.138 0 40 FIAB Cc1ccc(-c2cc3c(=O)n(Cc4ccc(Cl)cc4)ccn3n2)cc1C 16840065 JVLRSOMHBJVGEV-UHFFFAOYSA-N 363.848 4.482 0 40 FIAB CCOc1ccccc1-c1cc(NC(=O)c2noc3c2CCCCC3)on1 20190280 XBLGEQKGSRXJKT-UHFFFAOYSA-N 367.405 4.250 0 40 FIAB CC(C)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 20460249 IGSDFHGMZFPEAM-UHFFFAOYSA-N 366.870 4.087 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCc2sccc2C1 22598027 PCDIAFIUDVTNAY-UHFFFAOYSA-N 374.412 4.199 0 40 FIAB C[C@@H](NC(=O)C[C@@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 25047859 BYZFUNHQDREUND-JLTOFOAXSA-N 369.436 4.140 0 40 FIAB Cc1ccc(C)c(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1 26771247 PLHSGXWFMTWGLG-QFIPXVFZSA-N 358.441 4.354 0 40 FIAB COc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCCC1 27584395 OURQMZCUXZZDFC-NRFANRHFSA-N 366.505 4.351 0 40 FIAB CCCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)s1 28228165 GFTRVFGHTDACFU-LLVKDONJSA-N 353.875 4.249 0 40 FIAB O=C(Nc1ccc(SC2CCCC2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 30183483 GIIWNBIKYKXLNK-HNNXBMFYSA-N 372.534 4.451 0 40 FIAB COc1cccc2c1N(C(=O)Cc1nc(-c3cccs3)oc1C)CCC2 30574545 IJGJWSGWVAEBSC-UHFFFAOYSA-N 368.458 4.242 0 40 FIAB O=c1cc(CSc2nccn2Cc2ccccc2)[nH]c2ccc(F)cc12 33063852 BYHTXQNGNTXNPL-UHFFFAOYSA-N 365.433 4.204 0 40 FIAB COc1ccc(CN2C(=O)/C(=C/c3ccccc3)c3ccccc3C2=O)cc1 33531155 WGJIPHKFJDPZIA-PXLXIMEGSA-N 369.420 4.418 0 40 FIAB COc1ccc(CNc2ncnc3cc(Br)ccc23)cc1OC 40283375 WIODWVKIGNUXHJ-UHFFFAOYSA-N 374.238 4.022 0 40 FIAB CCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c2ccccc12 41095248 JDBDOFMTBDMING-QAPCUYQASA-N 361.507 4.486 0 40 FIAB Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(Cl)s2)c2cccnc12 41758023 AABCFOQVIMONII-NSHDSACASA-N 373.865 4.074 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 44847442 JIDXIZSPYBKCQD-LLVKDONJSA-N 351.855 4.477 0 40 FIAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1nc(C2CC2)cs1 45527399 SCTWUZMBMTUHMD-UHFFFAOYSA-N 359.398 4.165 0 40 FIAB O=C(CC[S@](=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 58098642 RZALJEMYRVMCQH-RUZDIDTESA-N 373.371 4.122 0 40 FIAB Cc1cc(N(C)CCOc2ccc(Cl)cc2)nc(-c2ccncc2)n1 60217815 XGKFMAMUNSENNB-UHFFFAOYSA-N 354.841 4.016 0 40 FIAB CCN(CC)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72212891 NPEUNFIJYSGHRI-IBGZPJMESA-N 353.466 4.402 0 40 FIAB Cc1cc(-c2cnc(N3CCSCC3)nc2-c2ccc(C)s2)on1 72337385 IXEVHXPJTQNRJQ-UHFFFAOYSA-N 358.492 4.030 0 40 FIAB O=C(CN1CCC(COCc2ccc(Cl)cc2)CC1)Nc1ccccc1 75156581 VFJSKSJQVSLBEQ-UHFFFAOYSA-N 372.896 4.207 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 78579212 SADUDLOPKSDIQE-HNNXBMFYSA-N 367.474 4.150 0 40 FIAB Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(OC(F)F)cc2)cc1 79026647 XDVJCAIXGTXKBS-ZDUSSCGKSA-N 371.387 4.273 0 40 FIAB C[C@H]1CCc2[nH]c3c(C(=O)OCc4ncc(Cl)n4C)cccc3c2C1 84700186 QOFZBCJCSMACHO-NSHDSACASA-N 357.841 4.037 0 40 FIAB Brc1cnn(Cc2coc(-c3cccs3)n2)c1C1CC1 95419313 REBAUZNBBJAFPD-UHFFFAOYSA-N 350.241 4.288 0 40 FIAB FC(F)(F)c1nc(N2CCN(c3ccccc3)CC2)c2sccc2n1 95948978 IGRNCMGQVKNCJI-UHFFFAOYSA-N 364.396 4.037 0 40 FIAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccccc2C(F)(F)F)CC1 98213850 UIVKHENHHALGEC-UHFFFAOYSA-N 372.431 4.224 0 40 FIAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2F)C3)cc1 100425186 SRDMJVXGCDKPDF-WOJBJXKFSA-N 366.480 4.450 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccccc1C 219610653 LELFKBJUCBUGHG-QAPCUYQASA-N 361.869 4.390 0 40 FIAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 223124772 KFXOFHFABPWGRD-FQEVSTJZSA-N 365.473 4.494 0 40 FIAB CC[C@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(OC)cc1 224732391 KVKMCDMNHONJAP-NRFANRHFSA-N 353.462 4.220 0 40 FIAB CCC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224880740 IVGSVVNEMUXLDH-GFCCVEGCSA-N 365.271 4.342 0 40 FIAB CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(OC)c1 225479194 VLQHNRLKKFSJEH-OAHLLOKOSA-N 363.841 4.247 0 40 FIAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 225719457 KNEQCJWOSAJUCL-UHFFFAOYSA-N 370.408 4.433 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Nc1ccccc1OC 225769625 KEHQQIQTUPVDFZ-INIZCTEOSA-N 356.422 4.128 0 40 FIAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NC2CCCCC2)n1 226009485 HYLWBRYQRLBBIS-GFCCVEGCSA-N 367.950 4.128 0 40 FIAB C[C@@H](O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 226274242 GIMSDMCVCUOOMW-SECBINFHSA-N 354.631 4.408 0 40 FIAB Cc1nn(CCNC(=O)c2ccc(F)c(F)c2F)c(C)c1-c1ccccc1 238862857 LBRBVPSIGSRQBO-UHFFFAOYSA-N 373.378 4.014 0 40 FIAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4O)OCC[C@@]31C2 257304845 SNJPGYMQMCSSMH-GETAXMSVSA-N 357.494 4.191 0 40 FIAB O=c1c2ccccc2nc(S)n1-c1ccc(Cl)c(C(F)(F)F)c1 319902825 CHLWUJIUOSNGRF-UHFFFAOYSA-N 356.756 4.347 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C(=O)[C@H]2C1 408681388 JFZZKXJCEBEYSR-UXHICEINSA-N 374.440 4.093 0 40 FIAB Cc1cc(Br)cc([C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 514269677 AZMXPSQRUQMEHC-CQSZACIVSA-N 356.260 4.066 0 40 FIAB O=C(C1CCC(c2ccccc2)CC1)N1CCC(OC[C@H]2CCOC2)CC1 541468421 IFGACRCDAVKVCI-PELRDEGISA-N 371.521 4.005 0 40 FIAB COc1ccc(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 653915419 WOQAWBQHYQWRKX-UHFFFAOYSA-N 362.433 4.050 0 40 FIAB O=C(NCc1ccoc1C(=O)O)OCC1c2ccccc2-c2ccccc21 685944825 BAAOVPGNOVOIHZ-UHFFFAOYSA-N 363.369 4.017 0 40 FIAB C[C@H]1CC(CNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C[C@H](C)C1 1666491730 UWXNBFIKZNMYOL-HZPDHXFCSA-N 357.498 4.116 0 40 FIAB O=Cc1nc(Br)c(-c2ccccc2OCc2ccccc2)[nH]1 1857794871 OVSJDSKNOVCTME-UHFFFAOYSA-N 357.207 4.231 0 40 FIAB CNC(=O)C[C@H]1CC2(CCN(CC3CCCCC3)CC2)c2cc(F)ccc21 2055806670 RWSIFIXYUCZPON-SFHVURJKSA-N 372.528 4.363 0 40 FIAB O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1Cc1c(F)cccc1Cl 980646 BEHRQKSNFFXIRH-NVNXTCNLSA-N 363.797 4.421 0 40 FIAB Cc1nc(SCC(=O)N2[C@H](C)CCC[C@H]2C)c2c(C)c(C)sc2n1 1333027 OFFHQWNGXLENEJ-GHMZBOCLSA-N 363.552 4.498 0 40 FIAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359617 WRRRYSHIYIVEIL-UHFFFAOYSA-N 362.473 4.392 0 40 FIAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 2723180 BPOUKMVNPVMKRF-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB Cc1ccc(F)c(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)c1 2787422 WATULSJHKCOKAX-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB CN(Cc1ccccc1)C(=O)COC(=O)c1sc2ccccc2c1Cl 3234569 IWWJPRXGZXYBTG-UHFFFAOYSA-N 373.861 4.370 0 40 FIAB C[C@@H]1CCc2sc(C(=O)OCc3nnc(-c4cccs4)o3)cc2C1 3548206 NYOMFXHYWZVGJZ-SNVBAGLBSA-N 360.460 4.341 0 40 FIAB CCCCSc1nnc(CNC(=O)c2ccccc2)n1-c1ccccc1 4059311 KWCQQLCXDMXQKA-UHFFFAOYSA-N 366.490 4.090 0 40 FIAB CCO[P@]1(=O)C(CCO)=CN(c2ccccc2)N=C1c1ccccc1 4889046 OLKSHWDLFRGTHI-RUZDIDTESA-N 356.362 4.407 0 40 FIAB COc1cccc(OC)c1OCC(=O)Nc1ccc(-c2ccccc2)cc1 5294536 XYRWRLAXGYIQPV-UHFFFAOYSA-N 363.413 4.388 0 40 FIAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C)cc1C 5863568 DECVKSQFLGWDAR-AWEZNQCLSA-N 355.463 4.364 0 40 FIAB O=C(CCCOc1ccc(Br)cc1)Nc1ccncc1Cl 5938103 LOZWAUVWAKLDOD-UHFFFAOYSA-N 369.646 4.295 0 40 FIAB O=S(=O)(Cc1ccccc1)N(CCc1ccccc1)Cc1ccccc1 6252113 KKHLTPKQAIRQMW-UHFFFAOYSA-N 365.498 4.261 0 40 FIAB CCCCNC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 6485993 CDVWMLGFCWTBPN-UHFFFAOYSA-N 365.882 4.045 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 6888639 UKYYKUOMPSHVMB-UHFFFAOYSA-N 372.635 4.371 0 40 FIAB O=C(CSc1ncnc2sccc12)Nc1ccc(OC(F)F)cc1 7063904 WBKATDDTHAUTDB-UHFFFAOYSA-N 367.402 4.024 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOCC2)cc1 7505007 IHVYRERDXVVDEY-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB O=C(Nc1cccc(F)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 7917665 VCAOGTGNPLZOEO-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(Br)c(C)c1 7976233 XONIRTAQUUXJDH-UHFFFAOYSA-N 361.239 4.011 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)NC1CCCCCC1 8133569 CHBQRPLBRIKUBG-UHFFFAOYSA-N 357.523 4.420 0 40 FIAB COc1cccc(Nc2nc(-c3cc(C)n(-c4nnc[nH]4)c3C)cs2)c1 8156670 RSNMJJCCXDHQAS-UHFFFAOYSA-N 366.450 4.088 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(C)c(Cl)c2)n1 8477032 GQLCTDZDLYJQFQ-UHFFFAOYSA-N 372.831 4.175 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCC3)NC1CCCCCC1 8521127 WUHAUTXSCZDTBV-UHFFFAOYSA-N 361.536 4.111 0 40 FIAB COc1cc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc(OC)c1 8924450 GGEBJIVKQSNMHT-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB Cc1cccc(C)c1-n1nnnc1SCc1coc(-c2ccccc2)n1 9365656 XNBOFUSTQICRGX-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12604443 FASYJFUKZUDOEQ-UHFFFAOYSA-N 361.445 4.201 0 40 FIAB O=C(NCc1ccccc1Cl)c1c[nH]c(=S)n1-c1ccc(F)cc1 12637213 SBVJOIYJOMPQKV-UHFFFAOYSA-N 361.829 4.257 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(F)cc3F)c(=O)oc2c1 12781214 JFRQTIDEHNEGSW-UHFFFAOYSA-N 357.356 4.259 0 40 FIAB CCc1ccc([C@H](C)NC(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1 12913212 UORHVXJXNSTJFO-RUMSDORHSA-N 369.461 4.165 0 40 FIAB COC(=O)c1sccc1NC(=O)/C=C\c1ccc(Cl)cc1Cl 13468913 CZQWRFCCMCNYGC-HYXAFXHYSA-N 356.230 4.493 0 40 FIAB COC(=O)Nc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1 13653783 JSQDTKCNYNPBHJ-UHFFFAOYSA-N 371.393 4.380 0 40 FIAB CC(=O)c1cccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1 14069122 UUFGQLIWAKQXST-UHFFFAOYSA-N 374.843 4.285 0 40 FIAB COc1cc(Cl)c(NC(=O)COc2ccc(Cl)c(C)c2)cc1OC 14093216 MLYZDVFADHKQBB-UHFFFAOYSA-N 370.232 4.337 0 40 FIAB c1csc(-c2nnc(SC[C@@H]3COc4ccccc4O3)n2C2CC2)c1 14241009 SUTJOGPMGIURDI-ZDUSSCGKSA-N 371.487 4.274 0 40 FIAB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)NC2=S)cc1C 15256166 AHCKZKKTZKDJTL-ODLFYWEKSA-N 365.502 4.319 0 40 FIAB Cc1cccc(OCCCNC(=O)c2cc(F)ccc2Br)c1 16278466 FCGLUNBJFFJCKD-UHFFFAOYSA-N 366.230 4.096 0 40 FIAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17041153 GTIZUONOURJNBM-VBQJREDUSA-N 370.522 4.181 0 40 FIAB COc1ccc2cc([C@H]3SCC(=O)N3c3ncc(C)s3)ccc2c1 17198102 VIRXKRAQYNFMAN-QGZVFWFLSA-N 356.472 4.392 0 40 FIAB CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccsc1 17307763 LXQWIQKKKOSJNB-UHFFFAOYSA-N 374.893 4.410 0 40 FIAB CCOc1ccc(N2CCn3c(SCc4cccc(C)c4)nnc32)cc1 17307788 AJQVXDHETWNYMW-UHFFFAOYSA-N 366.490 4.429 0 40 FIAB COc1ccc2c(c1)C[C@@H](c1cccnc1OC)N[C@H]2[C@@H]1CC=CCC1 19562560 AFKBBASLJUWZNQ-NQERJWCQSA-N 350.462 4.383 0 40 FIAB CCCCc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1 19982477 HLDFMNWAEYSNFI-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB O=C(COc1ccccc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22527334 OEZNUGQAUXXACC-PAQRCMFQSA-N 369.464 4.479 0 40 FIAB O=C(c1ccc(Cl)cc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 24778801 AQIKKKDCMABOEC-UHFFFAOYSA-N 357.816 4.375 0 40 FIAB CC[C@@H](C)Cc1c(C)sc2nc(SC[C@@H]3CCCO3)[nH]c(=O)c12 25255511 GGJPEZVSAYASDL-PWSUYJOCSA-N 352.525 4.153 0 40 FIAB COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)c1 27584384 UUCMRMORDACGQJ-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB biogenic O=S(=O)(c1cc(F)ccc1F)N1CCC[C@H]1c1ccc(Cl)cc1 28043452 PMDMWSQQERTKCZ-HNNXBMFYSA-N 357.809 4.144 0 40 FIAB COC(=O)C[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccccc1Cl 29327964 IWNSOXDEMDEFON-SUMWQHHRSA-N 360.841 4.005 0 40 FIAB CC[C@@H](C)NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32579049 QZAFFVXYMABFPK-OAHLLOKOSA-N 365.433 4.006 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1 32909993 YAEGLYFXZWAHLO-UHFFFAOYSA-N 359.425 4.381 0 40 FIAB Cc1cccc(C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 35311968 OHOREEKJBXNFOJ-UHFFFAOYSA-N 371.868 4.075 0 40 FIAB C/C=C/C(=O)Nc1cc(-c2nc(-c3ccc(OCC)cc3)cs2)nn1C 35683066 OJCCDTPECXRECN-GQCTYLIASA-N 368.462 4.124 0 40 FIAB Cc1cc(COC(=O)COc2cc3sc(C)nc3c3sccc23)no1 46522503 NIPQLUMOWKFPAJ-UHFFFAOYSA-N 374.443 4.238 0 40 FIAB Clc1c(CN[C@@H]2CCCN(c3ncccn3)C2)sc2ccccc12 48745274 GCJSQEKUCAWBJE-CYBMUJFWSA-N 358.898 4.103 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1F 51364549 XLDSUOLRODEOTH-QGZVFWFLSA-N 362.404 4.293 0 40 FIAB Cc1cccc2c1N(C(=O)c1ccc(OC[C@@H]3CCCO3)cc1)CCC2 62581378 IKVLQQQAIWKZJE-FQEVSTJZSA-N 351.446 4.146 0 40 FIAB CC(C)(C)c1ncc(NC(=O)c2cccnc2Nc2ccccc2F)cn1 64328152 ABQAMLRINWRYCN-UHFFFAOYSA-N 365.412 4.304 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@H](O)C1CCCCC1 70636687 FVEMHYZYTPSFJU-QFIPXVFZSA-N 351.490 4.266 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C=O)cn1)C1CCCCC1 72215670 ZSJFGGFOZVLSJI-GOSISDBHSA-N 373.497 4.449 0 40 FIAB COc1cc(C(=O)NCCc2ccc(Cl)cc2)nc2c(C)cc(F)cc12 72329530 IDBOQDWIQKZNGP-UHFFFAOYSA-N 372.827 4.317 0 40 FIAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)cc12 84169905 CLXPHNKZIIRIRF-NVXWUHKLSA-N 367.424 4.236 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NCC1(c2ccc(F)cc2)CCOCC1 84383650 JNCKPWSMMKSCDU-XCVCLJGOSA-N 373.855 4.357 0 40 FIAB Cc1nc(-c2ccccc2F)sc1CNC(=O)NCc1cccs1 85471002 AHPAGTDBWGPPOE-UHFFFAOYSA-N 361.467 4.319 0 40 FIAB C[C@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 96118495 HZPYHRWXEVYPNG-HNNXBMFYSA-N 360.461 4.255 0 40 FIAB CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)[nH]n1 100166649 VODUYPXSDCRTJT-IRXDYDNUSA-N 355.457 4.397 0 40 FIAB C[C@]12CC3CC(C(=O)N4CCN(c5ccccc5)CC4)(C1)C[C@](C)(C3)C2 101024190 ZDDUIJCYMYKPTG-HPYQEZSOSA-N 352.522 4.332 0 40 FIAB C[C@H](NC(=O)NCc1nc(-c2ccccc2Cl)no1)[C@@H]1C[C@H]2CC[C@H]1C2 104255024 KBULHZYEUFTCIW-ABHRYQDASA-N 374.872 4.014 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 175562489 LNEJWFXNDFPYBS-NRFANRHFSA-N 367.489 4.017 0 40 FIAB COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1OC 199710473 IBQRKZFBCDICFL-UHFFFAOYSA-N 358.438 4.349 0 40 FIAB O=C(CCc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1 199734181 SPLRMGBODXZFNN-UHFFFAOYSA-N 363.379 4.358 0 40 FIAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)c(OC)c1 218963198 BJJHKOWBSAFDRQ-LJQANCHMSA-N 371.477 4.474 0 40 FIAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(C)C 223095060 AYFDVOFZOBSJNF-UHFFFAOYSA-N 361.507 4.118 0 40 FIAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223475405 DXCRQUYYCXUFSB-NRFANRHFSA-N 370.468 4.078 0 40 FIAB COc1ccc(-c2nnsc2C(=O)O[C@@H](C)CCc2ccccc2)cc1 223836724 AUSFNZGKZLFKSQ-AWEZNQCLSA-N 368.458 4.392 0 40 FIAB COc1cccc(OCc2cc(C(=O)NCCC(C)C)ccc2OC)c1 224258624 KVZWWLZTGBDMSN-UHFFFAOYSA-N 357.450 4.059 0 40 FIAB COCc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 224481844 BNXMOIQINRJFDF-UHFFFAOYSA-N 369.442 4.426 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(Cl)cc1 224621642 ZRQPTWCILALXPY-QGZVFWFLSA-N 368.260 4.346 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NCC(C)C 224701978 YPUXOIAUPSWZRJ-KRWDZBQOSA-N 352.906 4.020 0 40 FIAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225685840 SVVHZXBGCPKURA-KRWDZBQOSA-N 372.490 4.293 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1N 226266773 PGOGJJFJWLKWFA-UHFFFAOYSA-N 362.271 4.130 0 40 FIAB CCOc1cc(NC(=O)c2cc3ccccc3o2)cc2sc(N)nc12 226311225 DCKGIBAABRXKAF-UHFFFAOYSA-N 353.403 4.276 0 40 FIAB CC[C@H](C(=O)NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399884 KCLRVWGZKVUOLU-PXNSSMCTSA-N 371.527 4.356 0 40 FIAB O=C(O)/C=C/c1ccc(CN2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 257200520 ADRDWLHSMMFZTR-DRUFCSCSSA-N 361.445 4.388 0 40 FIAB O=C(c1cccs1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257252129 JTQXIDCLJCTCMY-OAHLLOKOSA-N 370.449 4.486 0 40 FIAB O=C(NCc1ccc(-c2ccoc2)nc1)NCc1cccc2ccccc12 390832360 YXSQDMJTDZQPRE-UHFFFAOYSA-N 357.413 4.494 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)cc1 408680212 PVCHDFDVWRSTLK-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2sccc2C)S1 408814288 PBRLIZAFOYGKDH-UHFFFAOYSA-N 365.887 4.482 0 40 FIAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409102859 BOKGCAVEEZWSTN-QWQRMKEZSA-N 368.399 4.212 0 40 FIAB CC[C@@H](NC(=O)N1CCCc2cc(OC)ccc2C1)c1ccc(OC)cc1 517743576 IZALBMSDLFLDCJ-OAQYLSRUSA-N 368.477 4.313 0 40 FIAB O=S(=O)(NCCc1ccc(-c2ccsc2)s1)c1ccccc1F 575413987 DFXWEMDUUFFAAE-UHFFFAOYSA-N 367.492 4.137 0 40 FIAB CC(C)c1noc([C@@H](NC/C=C/c2ccc(F)cc2)C2CCOCC2)n1 583622988 GDTJHMNQRFKILF-WHLIDYPQSA-N 359.445 4.103 0 40 FIAB CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 584293464 JASRBTDAPFAAES-GARJFASQSA-N 350.406 4.010 0 40 FIAB Cc1cc(C)n2ncc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c2n1 1317814859 GBVXXVCRWGUQSN-UHFFFAOYSA-N 357.417 4.342 0 40 FIAB Cc1cccc(C)c1NC(=O)c1cccc(I)c1 682248 QNFGKYXJTPQSGS-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc(Cl)c2)NC(=S)N1 862552 VHENYYIJTIIMBC-QGZVFWFLSA-N 371.893 4.080 0 40 FIAB CC(C)OC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 865290 VSUYDDFKJGKMLQ-OCCSQVGLSA-N 353.344 4.109 0 40 FIAB CCOc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 1089512 QLLUHYFXNJXOJT-UHFFFAOYSA-N 350.509 4.236 0 40 FIAB O=C(COc1ccc(Br)cc1)c1ccc(Br)cc1 1256261 CHGZWKJDLVGWMT-UHFFFAOYSA-N 370.040 4.473 0 40 FIAB C[C@@H]1S[C@H](c2ccc3c(c2)OCO3)N(c2nc3ccccc3s2)C1=O 1461317 COGVDUJQKIESAP-DYZYQPBXSA-N 370.455 4.192 0 40 FIAB O=C(Cc1ccccc1Cl)c1cccc(I)c1 2392993 VGUYWIXEFPHMPS-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB Cn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 2460965 HCSXGNLPVUNLLS-FQEVSTJZSA-N 355.441 4.287 0 40 FIAB CC[C@H](C)NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 3544093 MYKPQHJUCAGESY-NSHDSACASA-N 369.339 4.037 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1nnc(C2CCCCC2)s1 4070850 NJHYTKPXKFCEIF-UHFFFAOYSA-N 351.859 4.257 0 40 FIAB CN(C)c1nc(N(c2ccccc2)c2ccccc2)nc(-n2cccc2)n1 4189833 JCSNVVBAWMCJDF-UHFFFAOYSA-N 356.433 4.198 0 40 FIAB Cc1cc(Cl)cc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12 4264271 ZATQXFIMKXMJSL-UHFFFAOYSA-N 360.822 4.282 0 40 FIAB Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2 4338466 PSVJMJZHURBTDI-UHFFFAOYSA-N 359.227 4.086 0 40 FIAB CCCCCCc1cc2cc(C(=O)Nc3nccs3)c(=O)oc2cc1O 4546163 VUFKBOMADQVZKH-UHFFFAOYSA-N 372.446 4.330 0 40 FIAB COc1ccccc1COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 4747393 HTZHGOHPRUNEIS-UHFFFAOYSA-N 350.292 4.399 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccccc2)c1=O 4940226 XFPOOACVRAKEQG-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccnn2Cc2ccccc2)c1 5089770 NVAXJECYSJLHIU-UHFFFAOYSA-N 363.461 4.381 0 40 FIAB Cc1ccccc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 5508036 UNTQUHGJBGEVPG-HNNXBMFYSA-N 355.459 4.069 0 40 FIAB O=c1c2ccccc2nnn1CSc1ccc(Cl)c(C(F)(F)F)c1 5584048 INTUTDYMGZOUKO-UHFFFAOYSA-N 371.771 4.214 0 40 FIAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1 6048111 DVWNMQBBPZPLBH-UHFFFAOYSA-N 372.490 4.157 0 40 FIAB COc1cccc(CN(C)C(=O)/C=C/c2cccc(Br)c2)c1 6602488 NYSQQKDBCGMBCT-MDZDMXLPSA-N 360.251 4.130 0 40 FIAB COC(=O)c1c(NC(=S)Nc2ccc(F)cc2F)sc2c1CCC2 6626611 OFBMLOHHTSGOEJ-UHFFFAOYSA-N 368.430 4.111 0 40 FIAB O=C(NCCc1cccc(F)c1)c1cccc(NC(=O)c2cccs2)c1 7125267 URHIDIJJULRSRQ-UHFFFAOYSA-N 368.433 4.112 0 40 FIAB COc1ccc(NC(=O)CSc2nnc(SCC(C)C)s2)cc1 7232025 KJHYWMMPHZFDKZ-UHFFFAOYSA-N 369.537 4.026 0 40 FIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1F 7726003 JAVJEOXYJVUEQN-UHFFFAOYSA-N 362.788 4.306 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)o1 8754986 WEONFHVLXWJNAN-GFCCVEGCSA-N 359.476 4.076 0 40 FIAB Cn1c(SCc2ccccc2C(F)(F)F)nnc1-c1cccnc1 8924504 DCTQKKSAZNPOSE-UHFFFAOYSA-N 350.369 4.188 0 40 FIAB CCOc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 9062720 ZXBBBOQDIFHMKI-UHFFFAOYSA-N 356.441 4.075 0 40 FIAB CCOc1ccc(C(=O)Nc2nn(CC)c3nc4ccccc4cc23)cc1 9358153 PXVNXRBZVLVRKL-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cccc(Cl)c1 10903218 XLQLZBMBUNVOSA-UHFFFAOYSA-N 353.853 4.132 0 40 FIAB C[C@H]1CCCCN1Cc1nc(-c2cccnc2OC2CCCCC2)no1 12365411 PPNUWFFHYCZVBB-HNNXBMFYSA-N 356.470 4.218 0 40 FIAB Cc1cc(C)c([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1C 12562665 PPBFXZGETJODRS-UTKZUKDTSA-N 350.462 4.357 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1cccnc1 12856341 BHSJYCGSYDNSDI-UHFFFAOYSA-N 374.263 4.144 0 40 FIAB CC(C)c1ccc([C@H](NC(=O)c2n[nH]c(=O)c3ccccc23)C(C)C)cc1 12922199 BALFTPJLHKXEEE-LJQANCHMSA-N 363.461 4.174 0 40 FIAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c1 13779058 NFEQTKQPUOLVJS-UHFFFAOYSA-N 358.397 4.277 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 16493149 NCOZQEIJKLGCDL-UHFFFAOYSA-N 352.365 4.088 0 40 FIAB COc1ccc(Cl)cc1-c1noc(C(C)(C)n2cc(Cl)cn2)n1 17073132 GAUNVKMNWBVCQN-UHFFFAOYSA-N 353.209 4.032 0 40 FIAB COc1cc(CN(C(=O)Nc2ccccc2)C2CC2)ccc1OC(F)F 17743693 XGNUYWWHAWXTDH-UHFFFAOYSA-N 362.376 4.493 0 40 FIAB CCn1cc([C@H](NC(=O)c2ccncc2)c2ccc(F)cc2)c2ccncc21 19524846 ZVWSXGBDFLPAAC-OAQYLSRUSA-N 374.419 4.110 0 40 FIAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2snnc2C)n1 19690588 AAUSFMUXLLALHY-GOSISDBHSA-N 364.474 4.194 0 40 FIAB O=C(c1cc2c(F)cccc2s1)N1CCN(Cc2cccs2)CC1 23735693 AYTMXSFBPOBPDO-UHFFFAOYSA-N 360.479 4.060 0 40 FIAB Cc1ccsc1C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1 24493480 IDAGFOIGUHKACT-UHFFFAOYSA-N 366.527 4.404 0 40 FIAB Cc1nnc(COC(=O)CCN2c3ccccc3Sc3ccccc32)o1 24906938 IGZRQGOCBLLZRA-UHFFFAOYSA-N 367.430 4.114 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NOCc1ccccc1 25284241 WGEFPFRZGVKHQZ-UHFFFAOYSA-N 369.852 4.063 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27742410 OFAAKRYPNOSVSR-SFHVURJKSA-N 358.507 4.104 0 40 FIAB COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c2cccnc12 28403576 UEMMYGIOGMPLDM-UHFFFAOYSA-N 356.809 4.223 0 40 FIAB CC[C@](C)(Nc1ccc(Cl)cc1)c1nnnn1-c1ccc(OC)cc1 35622532 MCXCBTOLZCHJBK-SFHVURJKSA-N 357.845 4.062 0 40 FIAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39767555 UNVWIXKQTSEWFM-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB Clc1ccc(OCCn2c(CN3CCCC3)nc3ccccc32)cc1 39916856 HEMLUAXVNAMROV-UHFFFAOYSA-N 355.869 4.365 0 40 FIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc(N2CCCC2)c1 40146371 PTDBDDKRVQSFJA-VAWYXSNFSA-N 358.445 4.124 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccnc1N1CCCC1 47225876 NMNMIUNWKKNKLS-UHFFFAOYSA-N 370.503 4.048 0 40 FIAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C(c1ccccc1)c1ccccc1 47502650 PXQFMLJZWLGEJO-UHFFFAOYSA-N 372.346 4.164 0 40 FIAB CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1C 48309731 GZRPTXUNJLBJAM-UHFFFAOYSA-N 363.461 4.406 0 40 FIAB CC(C)OCc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1 49133580 XQRKNEMBDXAITA-UHFFFAOYSA-N 350.462 4.342 0 40 FIAB CN1CCc2c(c3ccccc3n2CCC(=O)Nc2ccc(Cl)cc2)C1 49550459 RMIHLNYAVCIATA-UHFFFAOYSA-N 367.880 4.311 0 40 FIAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Cl)cc1 51364515 ZNZPIHJJRHFABA-KRWDZBQOSA-N 364.832 4.499 0 40 FIAB Cc1cc(C)c(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)c(C)c1 57364057 QCAPZKPSYMAIFS-UHFFFAOYSA-N 371.912 4.026 0 40 FIAB NC(=O)c1ccc(COc2ccc3c(c2)OC2(CCCCC2)CC3=O)cc1 58370964 OOAUSKDABZKLRL-UHFFFAOYSA-N 365.429 4.033 0 40 FIAB CC(C)Cc1cc(NC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)n(C)n1 64434263 SPLVYSRQOKUMAF-QPJJXVBHSA-N 371.868 4.243 0 40 FIAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)cc1 64977455 DXBRCVRIAWQKSE-UHFFFAOYSA-N 373.456 4.227 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 64981737 OJGABVXAXOJIIB-INIZCTEOSA-N 355.434 4.358 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@H]2CCCC[C@@H]21 69268359 SONFLGZJUSRPKS-NEWSRXKRSA-N 357.498 4.014 0 40 FIAB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]2(C)[C@H]1O 71785107 IHDFXAYYAHEPNS-RIVNZTCVSA-N 364.489 4.036 0 40 FIAB Cc1[nH]c2cccc(C(=O)N3CCC([C@@H]4CCCCN4C)CC3)c2c1C 72354288 DMKOPSFLGUYRBY-FQEVSTJZSA-N 353.510 4.121 0 40 FIAB CC(C)CCc1nc(CN2CCC(c3nnc4ccccn34)CC2)cs1 95958705 KCPQKHLNOQWYIN-UHFFFAOYSA-N 369.538 4.154 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(Cc2ccncc2)cc1 96136877 DJPLEFAHWKRZPX-NTCAYCPXSA-N 350.443 4.085 0 40 FIAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(ccc3nsnc23)N1 96231088 JRIQZDVYNXJSOQ-VIFPVBQESA-N 350.230 4.472 0 40 FIAB CSc1cc(C(=O)N[C@H]2C(=O)Nc3ccccc32)c(Cl)cc1Cl 97165119 MCSPPFUDGRCNRL-CQSZACIVSA-N 367.257 4.139 0 40 FIAB Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)n1-c1nccs1 97285934 RCUKRKLDSSPZTB-QWHCGFSZSA-N 371.428 4.402 0 40 FIAB COc1ccccc1CCCNC(=O)COc1cc(C)c(Cl)c(C)c1 218922126 KDYXHOZMXDQQEH-UHFFFAOYSA-N 361.869 4.093 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(OC)c1 219305710 SPIVSBHPQWMONI-QGZVFWFLSA-N 371.477 4.000 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)COc1ccccc1C 219367242 ADTSVAUWKICGOU-IEBWSBKVSA-N 355.478 4.353 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccccc2F)c1 219576177 KDHOCWBCYAVSMZ-KRWDZBQOSA-N 359.397 4.107 0 40 FIAB Cc1cc(NC(=S)NCCCc2ccccc2)ncc1Br 223961884 AZFYUISFMXZYLP-UHFFFAOYSA-N 364.312 4.072 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC1CCCCC1 225187311 VKJDPPAKOSULFZ-GOSISDBHSA-N 364.917 4.306 0 40 FIAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C 225248216 YQRBKRALJMKIQC-UHFFFAOYSA-N 353.447 4.012 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ncccc2OC)cc1 225502134 AFWILQQKDBHEPU-MRXNPFEDSA-N 359.495 4.173 0 40 FIAB Cc1ccc(C2(NC(=S)Nc3ccc4c(c3)OCO4)CCCC2)cc1 225851933 FXJFSWZSISIHPC-UHFFFAOYSA-N 354.475 4.480 0 40 FIAB COc1ccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)oc2c1 226042834 IAWAXNSTTHUYND-UHFFFAOYSA-N 363.291 4.073 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OC)OCC[C@@]31C2 257221590 DPTHLUQKAWXFIJ-LBZIOLLISA-N 357.494 4.104 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(Br)cc2)S1 260774924 OETLXCHTJOVXMO-HFBAOOFYSA-N 374.307 4.433 0 40 FIAB CSc1ncc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cn1 408529300 GWEASEVXEJACGJ-GORDUTHDSA-N 362.867 4.114 0 40 FIAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2)cc1 408677079 PXWZKLFKZJEBBV-UHFFFAOYSA-N 368.436 4.414 0 40 FIAB CCO[C@H]1C[C@H](O)C12CCN(CCCc1cccc3ccccc13)CC2 524990201 HCDJGANVXMLJJR-VXKWHMMOSA-N 353.506 4.024 0 40 FIAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@@H]1c1cc[nH]n1 557039157 XGYIXDYOOONLTC-OAHLLOKOSA-N 351.431 4.008 0 40 FIAB CO[C@H](C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)[C@@H]1CCOC1 585100478 XXCPACKRCALMGI-UZLBHIALSA-N 351.402 4.090 0 40 FIAB Cc1ccc(CC2CN(C(=O)N[C@@H](C)c3nccn3-c3ccccc3)C2)cc1 664901891 LIELZQSMYHRGFL-SFHVURJKSA-N 374.488 4.126 0 40 FIAB CC(C)(c1ccc(NC(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)cc1)C(F)(F)F 666890389 OWALNXBFFFWRBI-ZENOOKHLSA-N 370.415 4.151 0 40 FIAB C[C@@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1cccc(O)c1 682514001 GDVBSZNGZYLFDU-SNVBAGLBSA-N 368.658 4.228 0 40 FIAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@@H]1CCOC12CCCCC2 1669872014 DYHXRCPKGHGGCT-NIKGAXFTSA-N 360.473 4.240 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1(C)C 11146944 JWSITSMPWJZWIJ-MJGOQNOKSA-N 366.461 4.387 0 40 FIAB CCc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1 2411142 JSZJPONNJJLPDI-UHFFFAOYSA-N 360.211 4.036 0 40 FIAB CC1CCC(C(=O)N[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C(C)C)CC1 2460106 WAVWKLCYUNABHJ-FVKWTLKZSA-N 368.880 4.385 0 40 FIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(Br)cc1 806012 OUBOFIBITAVDFH-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB CCCCCn1c(O)c(C(=O)Nc2cccc(C)c2)c(=O)c2ccccc21 2589588 UQRNAIFCARDDOL-UHFFFAOYSA-N 364.445 4.458 0 40 FIAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cccc(Cl)c1Cl 1961945 KHLCJBAFCLUEPE-MDZDMXLPSA-N 350.201 4.189 0 40 FIAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 3372066 MLUOKMQHRHPFBR-UHFFFAOYSA-N 362.429 4.311 0 40 FIAB CCc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6708984 BSYJCANMXXOCEG-UHFFFAOYSA-N 370.408 4.302 0 40 FIAB COc1ccc(-c2n[nH]c(SCc3cc(-c4cccs4)on3)n2)cc1 7773482 BZFLCESOWUEKCK-UHFFFAOYSA-N 370.459 4.489 0 40 FIAB CCN(CC)[C@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 21487031 GZVGERKSWQDLCQ-LBPRGKRZSA-N 358.096 4.108 0 40 FIAB Cc1cc(OCC(=O)Nc2nc(-c3cccs3)ns2)ccc1Cl 11914576 RRNKQXRCNZSGNJ-UHFFFAOYSA-N 365.867 4.246 0 40 FIAB O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)NC4CCCCC4)[C@@H]32)Oc2ccc(Cl)cc21 100123826 FRMVBKFGVPOUJI-HUMBJQDLSA-N 373.880 4.149 0 40 FIAB COc1ccc2oc(C(=O)Nc3ccnn3Cc3ccccc3)c(C)c2c1 7524923 QHRSMQAEDDYGDJ-UHFFFAOYSA-N 361.401 4.247 0 40 FIAB CCn1nc(C)cc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 2728369 HZNILZSBIXPFSY-UHFFFAOYSA-N 365.433 4.124 0 40 FIAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccn3)c12 46728035 DQBYFWDVZLQVRX-UHFFFAOYSA-N 364.449 4.014 0 40 FIAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1ccccc1 686691 VGQMPARJPICTGZ-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(F)cc1 22071968 MTZAMADPJGZEGM-UHFFFAOYSA-N 351.381 4.094 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 12462261 HZRMGRWDJAJNBW-UHFFFAOYSA-N 365.477 4.101 0 40 FIAB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2Cl)NC(=O)N1 823570 GIKRKUSMBUOCKF-KRWDZBQOSA-N 362.857 4.234 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 23786277 CWJKRRVWMMYUBA-UHFFFAOYSA-N 371.387 4.054 0 40 FIAB OC[C@@H](CNc1cc(C(F)(F)F)nc2ccccc12)Cc1ccco1 24206555 BKGJGNGJWPHUBE-GFCCVEGCSA-N 350.340 4.110 0 40 FIAB CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 1248980 YYSHBWVNTGSRGY-UHFFFAOYSA-N 365.458 4.212 0 40 FIAB CCCC(=O)Nc1ccc(CNCc2ccc(Br)cc2)cc1 47719678 AONPLAZNOLEUHQ-UHFFFAOYSA-N 361.283 4.478 0 40 FIAB COc1ccc(CN(C)[C@@H](C)c2nc(N)c3c(C)c(C)sc3n2)cc1 57403175 MNZPFMRHWSGHAV-LBPRGKRZSA-N 356.495 4.092 0 40 FIAB O=C(Nc1cccc(Cl)c1)N(Cc1cccc(O)c1)C1CCC(O)CC1 58193431 NYYGCBYHYJAPDL-UHFFFAOYSA-N 374.868 4.383 0 40 FIAB CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1)n1cnc2cc(F)c(F)cc21 58174752 GIXNXNNKZGZJBU-YJYMSZOUSA-N 357.404 4.389 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)N[C@@H](C)c3oc4ccccc4c3C)C2)n1 58237996 XAHMTNKNIJOEHS-ZFWWWQNUSA-N 368.437 4.083 0 40 FIAB CC1(C)Cc2nc3sc4c(=O)oc(-c5ccccc5)nc4c3cc2CO1 2286578 UNJMJHXZCSWQHP-UHFFFAOYSA-N 364.426 4.316 0 40 FIAB O=C(O)[C@@H]1CCCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)C1 3358689 ILVYRZSYPBCXEP-GFCCVEGCSA-N 373.865 4.313 0 40 FIAB CCC[C@H](C)C(=O)OCC(=O)Nc1nc(-c2ccccc2Cl)cs1 3332049 GHHXSKVBAZKBPL-NSHDSACASA-N 366.870 4.381 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)OC)cc1 3327975 MFWDFQMKIBOWIL-UHFFFAOYSA-N 362.223 4.050 0 40 FIAB O=S(=O)(Nc1cccc2c(O)cccc12)c1cccc(C(F)(F)F)c1 3329051 WSAMPELZRMXWKJ-UHFFFAOYSA-N 367.348 4.365 0 40 FIAB Cc1sc2nc(-c3ccccc3)nc(N[C@H]3CCCCNC3=O)c2c1C 48302596 DVLYEYBDHITQLE-HNNXBMFYSA-N 366.490 4.056 0 40 FIAB COc1cccc(-c2nc(COC(=O)CCc3ccco3)cs2)c1OC 12812064 JMJQRGAATBIMJU-UHFFFAOYSA-N 373.430 4.096 0 40 FIAB CCN(C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1)c1cccnc1 68304319 RATGPKMBMLNFDN-UHFFFAOYSA-N 354.841 4.204 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21 3655980 GEYZNZBZJHDFSY-HZPDHXFCSA-N 364.445 4.255 0 40 FIAB CCCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033436 GXOJSHMARNXPTO-HNNXBMFYSA-N 351.425 4.496 0 40 FIAB CC[C@H](C)NC(=O)Cc1c(C)c2c(cc(C)c3c(C)c(C)oc32)oc1=O 4089332 GEUZPBLFBKDUPG-NSHDSACASA-N 355.434 4.230 0 40 FIAB biogenic COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)c(OC)c1 49546337 SNCDJCRGXAZGDK-KRWDZBQOSA-N 363.417 4.072 0 40 FIAB Cc1cccc(N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)C[C@H]2C)c1 13811315 KCZAQAHHAUAFPT-MSOLQXFVSA-N 361.489 4.258 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1ccc(Cl)cc1 6406391 NXJGHKHNFPRMIC-UHFFFAOYSA-N 360.885 4.001 0 40 FIAB CC(C)Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 6539079 UUQOPSQDFQEOIZ-UHFFFAOYSA-N 353.447 4.223 0 40 FIAB Fc1ccc([C@@H]2CN(CCOc3cccc4ccccc34)CCO2)cc1 70037702 LWNYXYVVKNIFQU-QFIPXVFZSA-N 351.421 4.431 0 40 FIAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc(=O)[nH]c1 14377435 OEVOXQROPOZZLT-UHFFFAOYSA-N 363.398 4.029 0 40 FIAB CCOc1cccc(C(=O)Nc2nnc(/C=C/c3ccccc3)s2)c1 4695029 BWBHYSCAVFPTSV-VAWYXSNFSA-N 351.431 4.360 0 40 FIAB CCOc1ccc(C(=O)OCc2cc(C(C)=O)ccc2OC)cc1OCC 4846169 JGZXVRUVQJZCII-UHFFFAOYSA-N 372.417 4.052 0 40 FIAB Nc1cc(Cl)ccc1C(=O)OCc1nc2ccccc2n1C(F)F 14902044 XKKVDUYOMPOVSK-UHFFFAOYSA-N 351.740 4.024 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)c1ccccc1OCc1ccc(F)cc1 6881860 NTKWSDXUGQKEQI-UHFFFAOYSA-N 353.397 4.007 0 40 FIAB Cc1cc(NC(=O)CNc2cc(F)ccc2C)ccc1Br 15122817 XDUGWVDBDOBEKZ-UHFFFAOYSA-N 351.219 4.256 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccn2)nc2ccccc12 15267479 QEIZFXOQUZQKGR-UHFFFAOYSA-N 369.380 4.278 0 40 FIAB O=C(CCc1ccco1)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 8776380 ZPPDOMGJTFGXGP-UHFFFAOYSA-N 364.449 4.226 0 40 FIAB CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc(Cl)c1OC 96634976 RWYSDQIFOKPQDI-MHWRWJLKSA-N 371.820 4.400 0 40 FIAB Cc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1Cl 89955433 GQDINIKZLBJBJS-CYBMUJFWSA-N 355.825 4.232 0 40 FIAB CC(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 68713182 LQFPDAFACHDGMW-QHCPKHFHSA-N 365.473 4.273 0 40 FIAB CC(C)N(C[C@H]1C[C@@H]1C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 72304743 YOTZCPVIGBHZKI-JKSUJKDBSA-N 363.465 4.319 0 40 FIAB C[S@@](=O)Cc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1 73120358 FFCAKTCKOXCDJD-SANMLTNESA-N 364.470 4.048 0 40 FIAB COc1ccc([C@H](Cc2ccc(F)cc2)Nc2cc(Cl)nc(N)n2)cc1 89438888 PCOGBRBLTOEKAA-INIZCTEOSA-N 372.831 4.256 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)c2ccc(Br)cc2)cc1C 20899404 QMMVSODXEAZOOI-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB O=C(Cc1cccs1)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 408713084 JQFJZKXICASKGN-UHFFFAOYSA-N 370.499 4.380 0 40 FIAB Cc1nc(C)c(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)o1 564046793 YKLFOXARCMTAEF-UHFFFAOYSA-N 368.355 4.210 0 40 FIAB O=C(COc1ccc(Br)cc1)NCCSC1CCCCC1 218814287 ZAXDBZQRMFRJMI-UHFFFAOYSA-N 372.328 4.010 0 40 FIAB FC(F)(F)c1cc(N2CCN(Cc3ccco3)CC2)c2ccccc2n1 48303008 IGNWCDRBGCDZSJ-UHFFFAOYSA-N 361.367 4.169 0 40 FIAB COc1ccc(CCNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225323885 GUMHFAPPSXGBSY-UHFFFAOYSA-N 352.261 4.294 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2F)cc1C 225679748 PJGKCCYJPACNCO-UHFFFAOYSA-N 366.230 4.477 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1Cl 224421332 OQNHMSOMPXYUIG-OAHLLOKOSA-N 361.869 4.426 0 40 FIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224780467 OTEVJCDFXSZSNB-GOSISDBHSA-N 351.490 4.390 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 330044235 CUSYDANBUQNUAA-QHCPKHFHSA-N 374.440 4.312 0 40 FIAB COC[C@@H]1CN(Cc2ccc(C)s2)Cc2cn(CC3CCCC3)nc21 96059992 GADGCXDZAZVWAL-SFHVURJKSA-N 359.539 4.189 0 40 FIAB CC(C)C(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 580067155 PLPYNVARKQIXRN-FQEVSTJZSA-N 370.493 4.338 0 40 FIAB CSc1ccc([C@@H](O)CNC(=O)C2(c3cccs3)CCCC2)cc1 96103125 CQZREUBHAKLIFQ-INIZCTEOSA-N 361.532 4.132 0 40 FIAB CC(=O)Nc1cc(CCC2CCN(Cc3ccc(F)cc3)CC2)ccn1 257297852 RJAPDXNRLCWHGI-UHFFFAOYSA-N 355.457 4.024 0 40 FIAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260778584 RPXQTCDVLRFWPJ-ZNZDAUKMSA-N 369.490 4.078 0 40 FIAB Cc1nc(N(C)C)sc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 1324687325 LMLXXYJWMOGKEH-CQSZACIVSA-N 370.478 4.026 0 40 FIAB O=S1(=O)CC[C@@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C1 5685062 RAJCZOYAGOXCJB-MRXNPFEDSA-N 371.483 4.288 0 40 FIAB C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc2S1 11055874 FZTVDQPVQSINFL-ZDUSSCGKSA-N 350.443 4.059 0 40 FIAB Cc1ccc(CSc2nc3c(=O)[nH]cnc3n2-c2ccc(C)cc2)cc1 12447717 HZXUEWPTAWEJHC-UHFFFAOYSA-N 362.458 4.018 0 40 FIAB biogenic,in-vitro COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc2sc(N)nc12 226310649 XSBSIJBNJAYPOH-UHFFFAOYSA-N 368.245 4.446 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3CN3CCCC3)cc2)n1 19659967 LBOGLGSWNYYWAL-UHFFFAOYSA-N 374.488 4.337 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544873 YACFMKMRRBBULG-KRWDZBQOSA-N 372.472 4.383 0 40 FIAB O=C(Cc1ccsc1)N1CCC[C@@H](Cc2cnc3[nH]ccc3c2)CC1 2037838695 WOMHMUNTMXSRQD-OAHLLOKOSA-N 353.491 4.038 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 4275956 NKZPCLATGHOUHE-UHFFFAOYSA-N 355.369 4.307 0 40 FIAB Cc1cccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5374102 UKZWPAVHRAIMFU-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB COc1cccc(NC(=O)Nc2ccc(-c3cn4ccc(C)nc4n3)cc2)c1 9572128 VVQMLYONXSDQJX-UHFFFAOYSA-N 373.416 4.357 0 40 FIAB CN1C(=O)c2cc(NC(=O)c3ccccc3F)ccc2Oc2ccccc21 9827793 PRYJJEHGACYQIE-UHFFFAOYSA-N 362.360 4.460 0 40 FIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)CC2=O 100225832 FGYMPQQTTTUHCE-IRXDYDNUSA-N 368.246 4.312 0 40 FIAB Cc1noc(C)c1CN1CCC(c2ccc3cc(Cl)cnc3n2)CC1 2086896494 AYEALGOIHPYHPX-UHFFFAOYSA-N 356.857 4.268 0 40 FIAB Cc1ccc(-c2noc(-c3ccc(=O)n(Cc4cccc(C)c4)c3)n2)cc1 49007355 JEGPGXKQNOMADJ-UHFFFAOYSA-N 357.413 4.230 0 40 FIAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)c1cc2ccccc2s1 244983772 IQSXALCXVROZHZ-IBGZPJMESA-N 369.467 4.222 0 40 FIAB COc1cc(NC(=O)NCCCOC2CCCCC2)c(OC)cc1Cl 40024032 MBJBKNGCBZUWJW-UHFFFAOYSA-N 370.877 4.218 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1cccc(Cl)c1Cl 40097523 ISOZDLIPQKTVSD-ZDUSSCGKSA-N 361.175 4.127 0 40 FIAB CC1CCN([C@@H](CNC(=O)c2ccccc2C(F)(F)F)C(C)C)CC1 40090761 JLHFXBPYTRUOCR-KRWDZBQOSA-N 356.432 4.192 0 40 FIAB CNc1snc(C)c1C(=O)OCc1csc(-c2ccc(F)cc2)n1 31627937 HLOCPQZGXUMFFG-UHFFFAOYSA-N 363.439 4.113 0 40 FIAB CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccccc1 949038 ZPGNLZJITSLBES-UHFFFAOYSA-N 350.418 4.422 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)Oc2cc3c(cc2Br)OCO3)C1(C)C 1595742 UWGUZNCQFYSEFK-MEBBXXQBSA-N 367.239 4.322 0 40 FIAB CC[C@@H]([C@H](O)c1ccc(Cl)cc1)C(O)(C(F)(F)F)C(F)(F)F 1623590 ZHRDRMDRIBLBEU-VHSXEESVSA-N 350.686 4.255 0 40 FIAB CCOc1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 2232137 YAHUXZYTUSJBCK-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 2376395 QOVNMUHVDCGDOR-KBMIEXCESA-N 365.385 4.159 0 40 FIAB Sc1nnc(COc2cccc(Cl)c2Cl)n1-c1ccccc1 2550052 LTKIOFWJASBYKO-UHFFFAOYSA-N 352.246 4.442 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@@H]3CCCCC3=O)cc12 2664791 ZIMYDNGGQAWRQX-MRXNPFEDSA-N 372.421 4.203 0 40 FIAB CCCCCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 2721459 SKZZDROZOJEIIB-UHFFFAOYSA-N 353.441 4.338 0 40 FIAB aggregator Fc1cccc([C@H]2C[C@@H](c3cccc(Br)c3)Nc3ncnn32)c1 2914622 LAGFBBHYKOWLFK-JKSUJKDBSA-N 373.229 4.326 0 40 FIAB COc1ccc2cc(NC(=O)c3cccc(C(F)(F)F)c3)c(=O)oc2c1 3041367 RPAFKZOTAGYZJM-UHFFFAOYSA-N 363.291 4.073 0 40 FIAB CCC(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 3609080 YWTSMADNLZAVTD-UHFFFAOYSA-N 366.244 4.281 0 40 FIAB Oc1ccccc1-c1nc2ccccn2c1Nc1ccc2c(c1)OCCO2 4126269 CDZNFCBWCNTNFR-UHFFFAOYSA-N 359.385 4.222 0 40 FIAB CSc1cccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1 4316175 VGNWMNSQWNLTPV-UHFFFAOYSA-N 352.463 4.167 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(Br)cc1 4491817 ONXUDKNXIJKWMN-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB O=C(CSc1ccccn1)OCC(=O)c1ccc(-c2ccccc2)cc1 4677043 QZRXGVLLIDMVBB-UHFFFAOYSA-N 363.438 4.267 0 40 FIAB C[C@]12c3ccccc3[C@](C)(c3c1ccc1ccccc31)[C@H](C(=O)O)[C@@H]2C(=O)O 4803667 HVVHKPSSUDYJIU-CDPNLFKUSA-N 372.420 4.180 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 4898422 BNAYDJOPXGOTBT-QGZVFWFLSA-N 366.461 4.028 0 40 FIAB Cc1ccc(C)c(-n2ncc3c2ncn2c(-c4ccccc4C)nnc32)c1 5324836 NKCSKLIQYKIRNE-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB COc1ccc(CCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 5513709 VCDIAQGQDGHOIS-WEVVVXLNSA-N 350.245 4.374 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(OC)cc1Cl 6176051 HPECVJOMCMEKPG-SNVBAGLBSA-N 370.232 4.417 0 40 FIAB COc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1Cl 6490716 MJBLSWIEDZGHDB-UHFFFAOYSA-N 369.273 4.058 0 40 FIAB FC(F)(F)c1nnc2sc(C(c3ccccc3)c3ccccc3)nn12 6658581 FPWPLECBWCHHLK-UHFFFAOYSA-N 360.364 4.385 0 40 FIAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 7262608 SJDRUHHDPRQWPW-SECBINFHSA-N 354.189 4.128 0 40 FIAB Cc1cccc(COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 7537672 ZPLYVIHNGJJUPW-UHFFFAOYSA-N 371.864 4.244 0 40 FIAB O=C(COc1ccc(F)cc1Br)Nc1ccccc1Cl 7639789 IOEMNFNGJPWZOK-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1Br 7667453 KRSSIJAKXDXTEV-INIZCTEOSA-N 360.251 4.265 0 40 FIAB O=S(=O)(Nc1cccc2ncccc12)c1cc(Cl)ccc1Cl 7986343 JIZKGCYWOVMVJN-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB Cc1nc2nc3ccccc3n2c(O)c1Cc1ccc(Br)cc1 8020380 FBHVSIFUIDLIJT-UHFFFAOYSA-N 368.234 4.250 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(C(=O)NC2CC2)c1 8341894 YXYARVXVQRQBTG-UHFFFAOYSA-N 361.445 4.022 0 40 FIAB O=C(Oc1ccccc1)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 8519172 HNBBQSNGDGWEII-NBVRZTHBSA-N 374.425 4.005 0 40 FIAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)CC(C)C)ccc21 8959240 LRESYRDKECRKSS-UHFFFAOYSA-N 360.498 4.469 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 9156936 VXEJQSQBIQIWMW-JOCHJYFZSA-N 373.431 4.161 0 40 FIAB COc1cc(Cl)cc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=O)oc12 9239543 AIEWGAFYDBGUNP-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB Cc1ccc(C)c(OCCC(=O)N2CCN(c3cccc(C)c3C)CC2)c1 9468383 RJGJRRNROMMURY-UHFFFAOYSA-N 366.505 4.038 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(F)cc1Br 9504117 KGFFUXWZAMFAPU-UHFFFAOYSA-N 355.232 4.176 0 40 FIAB Cn1c(CN2CCCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 9942212 VUJFVAQSDDPAHG-UHFFFAOYSA-N 368.525 4.468 0 40 FIAB Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3C2)c1Cl 10341052 FTTXLOMWYPROIT-UHFFFAOYSA-N 355.290 4.360 0 40 FIAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(CN2CCCCC2)cc1 11515373 KMZBYDUOZCOCSL-UHFFFAOYSA-N 374.431 4.204 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856829 XOFYSKWJGCTIHV-UHFFFAOYSA-N 373.767 4.264 0 40 FIAB c1ccc2c(-c3nnc(SCCc4ccncc4)n3C3CC3)c[nH]c2c1 12543555 OOULDTXWEYCXRS-UHFFFAOYSA-N 361.474 4.491 0 40 FIAB COc1cc(C(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)ccc1OC(F)F 12768543 JKPXXDKVFHSTCJ-MNOVXSKESA-N 367.314 4.148 0 40 FIAB CCOc1ccc([C@H]2C[C@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132106 MPYRAQLPXCFEAV-IAGOWNOFSA-N 369.856 4.059 0 40 FIAB CCc1ccccc1-n1c(S)nnc1COc1cccc2cccnc12 13535086 PIKIUSAYQQKKKG-UHFFFAOYSA-N 362.458 4.246 0 40 FIAB CCOc1ccccc1NC(=O)CCCSc1nc2ccccc2[nH]1 15657415 AQCMYSGEFIXSGN-UHFFFAOYSA-N 355.463 4.473 0 40 FIAB COc1cc2c(cc1NS(=O)(=O)c1c(C)noc1C)oc1ccccc12 16130220 ZGQCPACMSUMOAW-UHFFFAOYSA-N 372.402 4.000 0 40 FIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1 16806349 FIHXLDSWWYLDMR-IBGZPJMESA-N 363.413 4.147 0 40 FIAB O=C(CCc1csc2nc(-c3ccccc3)cn12)NCc1cccs1 16848701 PKUZHOSVQUEIJP-UHFFFAOYSA-N 367.499 4.373 0 40 FIAB Fc1cccc([C@@H]2N3CCC4(CC3)c3[nH]c5ccc(F)cc5c3CCN24)c1 19293677 BRKCCGOMQFSXOI-OAQYLSRUSA-N 365.427 4.308 0 40 FIAB COc1cccc([C@@H](NC(=O)Cc2sc(C)nc2C)c2ccccc2)c1 19560484 AKFRBSXSMMLOCZ-NRFANRHFSA-N 366.486 4.217 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)cc1 19717788 JDXIQQGALIJRAZ-HXUWFJFHSA-N 363.461 4.258 0 40 FIAB O=C(CSc1ccccc1)NCCSCc1ccccc1Cl 20238389 HYNBARBHFOWEFQ-UHFFFAOYSA-N 351.924 4.482 0 40 FIAB COc1ccc(-c2noc(COC(=O)c3cccc4ccccc34)n2)cc1 21186663 KHIKFVWLEIKYDI-UHFFFAOYSA-N 360.369 4.255 0 40 FIAB COc1ccccc1CNc1ncnc2c1cnn2-c1cccc(Cl)c1 21661441 MQEAYVBDZCPNEP-UHFFFAOYSA-N 365.824 4.090 0 40 FIAB Cn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2cc(F)ccc21 22236290 XKAHYPRLOUYGCM-UHFFFAOYSA-N 365.191 4.237 0 40 FIAB O=C(CSCc1ccc(Br)cc1)Nc1cccc(F)c1 22582069 OCZICIPACSJBGI-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB COc1ccc2nc(C)c(C(=O)Nc3cccc(Cn4ccnc4)c3)cc2c1 25176227 VKBJWUQTMCDKDO-UHFFFAOYSA-N 372.428 4.049 0 40 FIAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 25285433 NOQHRTWFOIVYQI-JOCHJYFZSA-N 361.489 4.070 0 40 FIAB CCc1cc(C(N)=O)c(NC(=O)Nc2ccccc2C(F)(F)F)s1 27933670 LHAOUAIKTTXRFR-UHFFFAOYSA-N 357.357 4.072 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1 28226661 VFLZSGAQZQPQFK-UHFFFAOYSA-N 353.397 4.110 0 40 FIAB Cc1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccco2)cc1 28580905 MCBLFXRANXDBSE-HXUWFJFHSA-N 351.446 4.030 0 40 FIAB CC[C@@H]1c2ccsc2CCN1Cc1nc2c(oc3ccccc32)c(=O)[nH]1 30223726 AWNZNMITICOVKU-CQSZACIVSA-N 365.458 4.240 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3ccc(Cl)cc3)n2)cc1 31848866 CGEQAKDUPLWAQY-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc2cc[nH]c2c1 32124244 PXWVEKAGXAEEFE-UHFFFAOYSA-N 374.444 4.077 0 40 FIAB biogenic Cc1cc(S(=O)(=O)N2CCCCCC2)c(C(C)C)cc1Br 32602015 CATJLEHUXCJMER-UHFFFAOYSA-N 374.344 4.446 0 40 FIAB CC[C@H]1c2ccsc2CCN1CCS(=O)(=O)c1ccc(Cl)cc1 32764742 SEBQRXNJJIPSQL-INIZCTEOSA-N 369.939 4.185 0 40 FIAB C[C@@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1nc2ccccc2[nH]1 32903805 RBQKMVDOZWMKTK-CYBMUJFWSA-N 364.449 4.039 0 40 FIAB O=C(CSCc1csc(-c2ccccc2)n1)NCc1ccccc1 40067181 MFUCCDGLAWATRA-UHFFFAOYSA-N 354.500 4.360 0 40 FIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)COC2CCCC2)n1 40140455 GLISERCNVICUIG-UHFFFAOYSA-N 355.463 4.498 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@H]3COc4ccccc4O3)sc2C)cc1 40881725 UVFNFCHMNYSSNX-QGZVFWFLSA-N 366.442 4.205 0 40 FIAB CC(C)c1noc(CCCC(=O)Nc2cccc(OC3CCCC3)c2)n1 46755304 PJJPQDFBWLLFAX-UHFFFAOYSA-N 357.454 4.476 0 40 FIAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccnc1N1CCCC1 48080754 KOODDMPYLKAHDL-IBGZPJMESA-N 350.466 4.359 0 40 FIAB CC(C)OCc1ccc(CNC(=O)c2ccccc2Br)cc1 48332913 OVMUSZMPTHWTQF-UHFFFAOYSA-N 362.267 4.304 0 40 FIAB O=C(Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Cl)cc1)NC1CC1 56360458 SSBPMVUMTSSGBM-UHFFFAOYSA-N 368.824 4.358 0 40 FIAB O=C(NC1CCCCC1)C1(NCc2c[nH]c3ccccc23)CCCCC1 57551831 IPPMQXXVNRGZQI-UHFFFAOYSA-N 353.510 4.409 0 40 FIAB Cc1cc(C)n(-c2ccc(CNCc3cccnc3)c(C(F)(F)F)c2)n1 58159803 MFLMPWPASUIDMP-UHFFFAOYSA-N 360.383 4.193 0 40 FIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2 64383787 YKEAPDRUYKYIQS-UHFFFAOYSA-N 350.340 4.054 0 40 FIAB Fc1ccc(-c2nnc(Cc3nc(-c4ccccc4Cl)no3)o2)cc1 65185364 LWWKSHRDUFZBCL-UHFFFAOYSA-N 356.744 4.170 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 72238457 DXFJGILFUNNFPZ-IBGZPJMESA-N 370.880 4.454 0 40 FIAB CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 72324991 GRCDZGPHYVVVEF-IBGZPJMESA-N 356.510 4.111 0 40 FIAB biogenic C[C@H](NC(=O)CCc1ccc(F)cc1)c1noc(-c2ccc(Cl)cc2)n1 79024781 JNBJGXBHZCEMIG-LBPRGKRZSA-N 373.815 4.339 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCC3CCCCCCC3)c12 84066677 IMLMNKDNMFFEQK-UHFFFAOYSA-N 354.498 4.244 0 40 FIAB COc1ccc(CN(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1F 95951868 OHWAOYMXKCYEJT-FUHWJXTLSA-N 370.251 4.231 0 40 FIAB Cc1ccc(C2=C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1 102060977 QNUBXTHPQVLIAQ-INIZCTEOSA-N 354.360 4.244 0 40 FIAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccccc1 102529123 FBFNUDNTLSLHCT-UHFFFAOYSA-N 369.424 4.183 0 40 FIAB CCc1nnc(S/C(=C/c2cc(Cl)ccc2OC(C)C)C(=O)O)o1 211524948 FPPFGLZYAZRAPT-MDWZMJQESA-N 368.842 4.290 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=S)SCC(=O)Nc1cccc2ncccc12 215672356 PEIKONYALJJOOB-KBPBESRZSA-N 373.547 4.454 0 40 FIAB CCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1CC 216102261 IUSXMZNYXOJSFZ-UHFFFAOYSA-N 366.490 4.317 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)c2ccccc2SC(C)C)cc1 219654041 PWCXTTGKLLWMOS-HNNXBMFYSA-N 359.491 4.393 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222884582 FXONHPIZXKQHII-WOJBJXKFSA-N 362.502 4.255 0 40 FIAB CC(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)c(O)c1 408628641 VUSUSTVZINJKFQ-UHFFFAOYSA-N 369.446 4.157 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)CC1 408708904 VEEKYQDGPJDEMG-LMDPOFIKSA-N 370.537 4.459 0 40 FIAB COc1ccc(-c2cc(C(=O)NCc3cccc4ccccc34)no2)cc1 585152285 KMUZFFBHVZJPOP-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)nc2c1 585416897 GJUJGJHLSSDQFH-UHFFFAOYSA-N 369.471 4.172 0 40 FIAB Cc1cccc2sc(N3CCN(c4nc5ccccc5o4)CC3)nc12 1889083344 ISZDUCBDBSDVPF-UHFFFAOYSA-N 350.447 4.073 0 40 FIAB COc1ccccc1NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 846006 MHUQJLKMNYUXCM-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(F)cc1 2534619 HNEOIFZLDREUKT-UHFFFAOYSA-N 356.465 4.072 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 934658 FPBPJXNRCNSUBP-GFCCVEGCSA-N 364.239 4.254 0 40 FIAB O=C(COC(=O)CCc1ccccc1)Nc1cccc(Cl)c1Cl 1960616 XXLHEKGXCPGRBF-UHFFFAOYSA-N 352.217 4.108 0 40 FIAB O=C(Nc1cccc(OC(F)(F)[C@@H](F)C(F)(F)F)c1)c1cccnc1 3175157 WZMAUENYRLOMHO-ZDUSSCGKSA-N 364.245 4.206 0 40 FIAB C[C@H](NC(=O)c1csc2c1CCCC2)c1ccc2c(c1)CCC(=O)N2 45978589 DBVXQEQXSKGQJD-LBPRGKRZSA-N 354.475 4.003 0 40 FIAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)n1 4966109 ISIZFCSIUCXDCZ-UHFFFAOYSA-N 352.482 4.072 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 6233774 ORFZZQJMZNBUBH-UHFFFAOYSA-N 355.246 4.134 0 40 FIAB O=C(CSc1nncn1C1CC1)Nc1ccccc1Oc1ccccc1 11718390 OVUCBFKHMCXCND-UHFFFAOYSA-N 366.446 4.136 0 40 FIAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 7882282 LAQRUUVHFKUCGI-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB Clc1ccc(-c2nn3c([C@@H]4CCCO4)nnc3c3ccccc23)cc1 20745108 GSCGNXJLAPSJEI-INIZCTEOSA-N 350.809 4.449 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1ccco1 32593353 BRBDNPMGTKSLBB-OAHLLOKOSA-N 367.449 4.228 0 40 FIAB COC(=O)c1c(C)n(C2CC2)c2ccc(OC(=O)c3scnc3C)cc12 71971991 NXILNIHVHAABQW-UHFFFAOYSA-N 370.430 4.055 0 40 FIAB CCc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 100423639 QHBDYLBWYSEEIL-OALUTQOASA-N 369.534 4.324 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2noc(-c3cccc(C)c3)n2)cc1 21806595 PQDWNFFPKJWHII-CQSZACIVSA-N 351.406 4.013 0 40 FIAB O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@H]1C[C@@H]1c1ccccc1 28229928 XRYXCTUMHNIZGW-MSOLQXFVSA-N 351.837 4.327 0 40 FIAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c4c(cccc24)CC3)N1 3024740 JTOZFSYHVYFHID-RBBKRZOGSA-N 368.436 4.108 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(OC(C)=O)cc3)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 100571479 RJNYTRPEECCIOJ-VTKNXMALSA-N 372.461 4.081 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 8609513 RTKLARIIRDZMTJ-UHFFFAOYSA-N 370.840 4.090 0 40 FIAB Cc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1 12548196 BFKKJAHYAGFUDM-UHFFFAOYSA-N 357.413 4.474 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)cs2)cc1OC 24033890 KHPFIDBYUWSNAW-UHFFFAOYSA-N 367.430 4.054 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1102650 WECWJLNBRXGNJZ-GOSISDBHSA-N 364.445 4.004 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)s3)cc2C)CC1 12538311 MXCLBXQWACFUBA-UHFFFAOYSA-N 363.914 4.104 0 40 FIAB CC(C)(C)CC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 3289431 SVPMDAMJRLQRME-UHFFFAOYSA-N 371.481 4.088 0 40 FIAB O=C(NCCSCc1ccccc1F)c1ccc(N2CCCCC2)cc1 10113055 GQRVDUCPSDXZGH-UHFFFAOYSA-N 372.509 4.479 0 40 FIAB CCCCCC(=O)N[C@H](Nc1ccc(OC)cc1)C(Cl)(Cl)Cl 1787060 WBZWJYLFDKTCCS-AWEZNQCLSA-N 367.704 4.500 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 20042926 QPAITJGLXMIFAE-MGPUTAFESA-N 357.450 4.129 0 40 FIAB c1ccc(-c2nnc(N3CCC(c4nc5ccccc5[nH]4)CC3)s2)cc1 26704841 SZXIMBZOFDUAPN-UHFFFAOYSA-N 361.474 4.465 0 40 FIAB Cc1cccnc1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10056632 IJTOPLMAXKBYSQ-IBGZPJMESA-N 358.397 4.097 0 40 FIAB COc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 27749574 ONAOQTQZSDQEFK-GOSISDBHSA-N 358.507 4.104 0 40 FIAB FC(F)(F)c1cccc(N2CCN(c3nc(-c4ccccc4)no3)CC2)c1 58378201 OFTWXCUYJOKALF-UHFFFAOYSA-N 374.366 4.082 0 40 FIAB C/C=C/c1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccsc2)c(OC)c1 58581605 WSVMONBHLQEVIE-QLGSUFQJSA-N 373.518 4.367 0 40 FIAB CC(C)(C)c1ccc(O)c(NC(=O)C[C@H](C(=O)O)c2ccc(F)cc2)c1 12793651 HMXZPBUXUITMAV-HNNXBMFYSA-N 359.397 4.026 0 40 FIAB Fc1ccc(-n2ncc3c(N4CCC[C@@H]4c4cccs4)ncnc32)cc1 12813624 GJPRXHDIFKGROV-MRXNPFEDSA-N 365.437 4.358 0 40 FIAB CC[C@@H](C)n1c(SCc2nc(CC(C)C)no2)nc2ccccc2c1=O 12904996 FUSZLUYDWONAPZ-CYBMUJFWSA-N 372.494 4.241 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1 13011027 SAVFHFRPQBTXQL-UHFFFAOYSA-N 356.403 4.244 0 40 FIAB CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2ccccc2Cl)NC(=O)N1 4113562 VCNLGNPCAJJPKG-GOSISDBHSA-N 370.836 4.020 0 40 FIAB Cc1c(-c2ccccc2)c(=O)oc2cc(OCC(=O)OC(C)C)ccc12 4340079 AVQRLADSKISEJX-UHFFFAOYSA-N 352.386 4.099 0 40 FIAB biogenic O=C1CSc2ccc(C(=O)OCc3ccccc3C(F)(F)F)cc2N1 4581786 UDJOHQLIWDHRIP-UHFFFAOYSA-N 367.348 4.107 0 40 FIAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2ccccc21 6507699 PVQRLETUPWMEFU-KSSFIOAISA-N 369.486 4.132 0 40 FIAB CCOC(=O)c1oc2ccccc2c1CN(C)Cc1ccccc1OC 6510615 VHDBKTTYEFXENJ-UHFFFAOYSA-N 353.418 4.250 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(-c2ccc(Cl)cc2)on1 14347603 QFNSJLCWOBRZED-UHFFFAOYSA-N 370.792 4.409 0 40 FIAB CC(=O)c1sc(NC(=O)c2ccc(Cl)nc2)nc1-c1ccccc1 14658125 UZOJJBOPTXKXKO-UHFFFAOYSA-N 357.822 4.313 0 40 FIAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2)nc1 67294211 JIBCQHOKQVVIJC-GYHWCHFESA-N 371.396 4.327 0 40 FIAB COc1ccc(C)cc1C(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 7083547 FJLAJKRFBRBPFG-UHFFFAOYSA-N 372.804 4.429 0 40 FIAB COc1ccccc1NC1=NN=C(c2ccc(OC(F)F)cc2)CS1 15405243 LDVBTIPHZIROHH-UHFFFAOYSA-N 363.389 4.216 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1)c1cccs1 7496414 PISRUCYTWHAEDH-LBPRGKRZSA-N 356.413 4.076 0 40 FIAB CCOc1ccccc1NC(=O)c1ccc(OC)c(Br)c1 7667422 FQGHGWQXMGQSPR-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB O=C(NCc1ccccc1)c1cc2cc(Cc3ccccc3)ccc2oc1=O 9236184 DUENYZPGMNWGHD-UHFFFAOYSA-N 369.420 4.314 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2C)c1 7717356 MCIUNIFCXWSRLY-HXUWFJFHSA-N 368.477 4.096 0 40 FIAB COc1ccc([C@H]2CCCN2C(=S)Nc2ccccc2F)c(OC)c1 8149727 PYJCSTTXVYSLRO-QGZVFWFLSA-N 360.454 4.377 0 40 FIAB Cc1ccn2cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)nc2c1 8216631 NWQLMULMGFVZTQ-MRXNPFEDSA-N 362.458 4.230 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)CCN2CCC[C@@H]2c2cccc(F)c2)c1 84146377 SEJRPLCHRGZCQC-LJQANCHMSA-N 361.482 4.053 0 40 FIAB CCN(C(=O)c1cncc(Br)c1)C12CC3CC(CC(C3)C1)C2 20989028 JVAOMIVYIRJDRZ-UHFFFAOYSA-N 363.299 4.275 0 40 FIAB Nc1ccnc(CSc2ncnc3cc(-c4ccc(F)cc4)sc23)n1 84419454 OXKPITJHWJNDOX-UHFFFAOYSA-N 369.450 4.162 0 40 FIAB Cc1cc(F)ccc1NC(=O)N(C)Cc1c(Cl)nc2sccn12 76094401 DGFRWFPAVTYACD-UHFFFAOYSA-N 352.822 4.161 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc2c(c1)CCO2 95351279 ZXIRBXHBKKVZST-UHFFFAOYSA-N 354.406 4.060 0 40 FIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)OCC(=O)c1ccc[nH]1 23059287 WCESKIMGSDFZOB-UHFFFAOYSA-N 369.804 4.140 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1 36635798 ATAABXHAEPSLEA-CQSZACIVSA-N 369.635 4.391 0 40 FIAB O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 35442901 IZNJXKXIOBQSHA-AWEZNQCLSA-N 356.809 4.169 0 40 FIAB biogenic,in-vitro Cc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1 36617335 JYVVDCFYXCNILJ-UHFFFAOYSA-N 362.364 4.293 0 40 FIAB O=C(NC1CCCCCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 33467828 ITUOVUSTWAGQNO-SILNSSARSA-N 366.461 4.280 0 40 FIAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1Cl 72227939 XYFULWJPYFRXTF-GJZGRUSLSA-N 371.651 4.071 0 40 FIAB Cc1ccc(OC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1 40140132 AVXWKFJYZQVVSC-UHFFFAOYSA-N 366.438 4.188 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)s1 223669517 CYQJAABLQGVHFG-AWEZNQCLSA-N 365.524 4.399 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(Cl)cc1 224283822 NGLQCJVYJDTELK-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc2ccccc2n1 46839643 WNKAUEDKQZWCKC-UHFFFAOYSA-N 369.424 4.139 0 40 FIAB CC(C)(C)c1ccc(OCCNC(=O)COc2ccccc2Cl)cc1 224245715 AQZKOMDODWCEEH-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3)nc2c1 226344509 UKJJTFUTWMLIJV-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB CC(C)n1c(SCc2ccc3c(c2)OCCO3)nc2ccccc2c1=O 48311362 QYZQPNFYVPZCNE-UHFFFAOYSA-N 368.458 4.041 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@H](CNc2ccc(Br)cc2)C1 89223540 PLMQOGPOUGEETK-GFCCVEGCSA-N 355.276 4.118 0 40 FIAB Nc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 226252677 HOBOGMUYCLGULX-UHFFFAOYSA-N 373.456 4.025 0 40 FIAB Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)o1 329386970 SQVFVDUXANDWII-KRWDZBQOSA-N 356.466 4.280 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)NCc1cccc(CN2CCCCC2)c1 224643888 ROJKEYHJTMUJIY-FMIVXFBMSA-N 352.453 4.141 0 40 FIAB Brc1ccc(-c2nn3c(-c4cccs4)nnc3s2)s1 40286005 JHXYGLITIYUCCW-UHFFFAOYSA-N 369.294 4.405 0 40 FIAB O=C(Cc1ccccc1F)NCc1ccc(OCc2ccc(F)cc2)cc1 225447941 HZVGQYZBJQRMSS-UHFFFAOYSA-N 367.395 4.403 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C 223023016 LGINOXPNXMOMNO-GFCCVEGCSA-N 373.324 4.425 0 40 FIAB O=c1[nH]n(C2CCCC2)c2c1[C@H](c1ccccc1Cl)SCC(O)=N2 95480831 OLIKCGVEVAQUDN-HNNXBMFYSA-N 363.870 4.369 0 40 FIAB CC1(NC(=O)C2(Cc3cccc(-c4ccncc4)c3)CCOCC2)CCC1 257246202 ITBMLWSTEPBXDS-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB C[C@H](NCc1cn2ccc(Br)cc2n1)C1CCC(F)CC1 657745799 YIGQSRVQMMTGPY-DCBWTQNWSA-N 354.267 4.103 0 40 FIAB OC1(Cc2cn(CCCOc3cccc4ccccc34)nn2)CCCCC1 1776003358 KXJSVEBDAMCVRD-UHFFFAOYSA-N 365.477 4.138 0 40 FIAB CCn1c(SC2Cc3ccccc3C2)nnc1-c1ccccc1OC 109716142 FJMIAKIUYBPQSA-UHFFFAOYSA-N 351.475 4.233 0 40 FIAB Cc1noc(Cl)c1CCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 65497434 ZKGRCOLYELQNGJ-GFCCVEGCSA-N 357.841 4.196 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)cc1OC 3203103 PTEKZSQVMXLGQL-ACCUITESSA-N 366.461 4.346 0 40 FIAB O=C(COC(=O)c1ccc2c(c1)CCCC2)Nc1cc(Cl)ccc1F 5504802 KGRKBHHVYFMSCC-UHFFFAOYSA-N 361.800 4.153 0 40 FIAB COc1ccc(OC)c(CN2CCC(c3cc4ncccc4cn3)CC2)c1 12188675 MUQCMXCAXPCCMZ-UHFFFAOYSA-N 363.461 4.027 0 40 FIAB COc1cccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)c1OC 12696259 UTULDAWLJIBMDI-UHFFFAOYSA-N 353.340 4.294 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)Nc2cccc(OC)c2)cc1OCC 13048096 PQRXHALCRXAZCD-AWEZNQCLSA-N 358.438 4.375 0 40 FIAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1ccccc1Cl 13049737 UHLOTMFBWRECOP-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(OC)cc1 13674541 VMVLEKAZMYBUCG-FQEVSTJZSA-N 371.477 4.000 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)c1 14482018 DLGWUUCPJGZZTA-UHFFFAOYSA-N 366.461 4.028 0 40 FIAB CCCC(=O)Nc1ccc(C(=O)COC(=O)[C@@H](CC)c2ccccc2)cc1 15355138 QIUIHOKLQAHGKX-IBGZPJMESA-N 367.445 4.345 0 40 FIAB COc1ccc(CN2CCCCC[C@@H]2c2cc(C)on2)c(OC)c1OC 19119399 ALYNWEOLOLLCOH-QGZVFWFLSA-N 360.454 4.126 0 40 FIAB COc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 2887800 ZKQDOYNYTMBHRS-UHFFFAOYSA-N 367.474 4.102 0 40 FIAB Cc1cc(C)c(C(=O)NCC2CCN(Cc3cccs3)CC2)c(C)c1 23128074 GYVXSVDFDKVAGX-UHFFFAOYSA-N 356.535 4.315 0 40 FIAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc2c1OCO2 7363898 DZAVVSBKACENLB-OAQYLSRUSA-N 374.396 4.195 0 40 FIAB O=C(Cc1cccs1)Nc1nnc(SCc2ccc(F)cc2)s1 4088030 KPCQUAGUQCYTKM-UHFFFAOYSA-N 365.480 4.212 0 40 FIAB aggregator Cc1cccc(-n2nc3c(c2NC(=O)Cc2cccs2)CSC3)c1C 4088813 LKMWRTFIGADGKB-UHFFFAOYSA-N 369.515 4.479 0 40 FIAB O=C(NCCc1csc(-c2cccc(F)c2)n1)c1c(F)cccc1F 5137461 LNWDCFULECTRHZ-UHFFFAOYSA-N 362.376 4.200 0 40 FIAB COc1ccc(-c2c(C(F)(F)F)noc2-c2ccc(O)cc2O)cc1 5424261 ZSQOMHMGCYTQAQ-UHFFFAOYSA-N 351.280 4.447 0 40 FIAB biogenic COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1 5762126 OTCWVYFQGYOYJO-UHFFFAOYSA-N 369.546 4.475 0 40 FIAB CN1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)C1 30029468 ZEMCMWRRYMNWSC-VSRDTVRMSA-N 374.406 4.234 0 40 FIAB CCn1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc21 639611 NTOZWADUSZUBHW-XDHOZWIPSA-N 359.429 4.063 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)O)n2-c2ccc(Cl)cc2)c1 1271989 LRTVGJCYWCMSKO-UHFFFAOYSA-N 359.838 4.073 0 40 FIAB O=C(OCCN1CCCCC1)c1ccc(COc2ccccc2Cl)o1 2752233 SRBPTPMMOWSCNI-UHFFFAOYSA-N 363.841 4.155 0 40 FIAB COc1cc(OC)cc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1 4100613 DIPCWZOATLQURP-UHFFFAOYSA-N 372.381 4.246 0 40 FIAB O=C(C1CCCCC1)N1CCN=C1SCc1c(F)cccc1Cl 4120139 JOAYYOKKHYCAQT-UHFFFAOYSA-N 354.878 4.491 0 40 FIAB CCOc1ccc(C(=O)N2CCN=C2SCc2cccc(C)c2)cc1 4120187 DSFYLIUHELDZSW-UHFFFAOYSA-N 354.475 4.139 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)o2)c1 4189087 TWAAFSMNWUIHGZ-CQSZACIVSA-N 365.458 4.115 0 40 FIAB O=C(COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc[nH]1 4548942 YMVKVKDEETWVGV-UHFFFAOYSA-N 368.003 4.063 0 40 FIAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(C)o3)=NN12 4899339 CTNHNBRKPPUWNI-LJQANCHMSA-N 365.477 4.334 0 40 FIAB COCCN(C(=O)Nc1ccc(F)cc1F)c1nc2ccccc2s1 4968546 RBEBGLDPJNCXAJ-UHFFFAOYSA-N 363.389 4.259 0 40 FIAB COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1N1CCCC1=O 5441047 GKLOFHFANULSFM-UHFFFAOYSA-N 359.813 4.119 0 40 FIAB S=c1n(CN2CCCCC2)nc(Cc2ccccc2)n1-c1ccccc1 5799958 LWMNUIIMJCIULH-UHFFFAOYSA-N 364.518 4.437 0 40 FIAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c1C 6140309 FKGJECQCQSYEKU-UHFFFAOYSA-N 368.506 4.285 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ncc(-c2ccccc2)o1 6559157 SMSKTLXQKCJKFT-UHFFFAOYSA-N 354.715 4.224 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1COc1ccccc1 6607907 CNCQPGVRZRBFIL-UHFFFAOYSA-N 351.431 4.247 0 40 FIAB CC(C)N(C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl)C(C)C 6997783 OTEAGXUFJQDNRV-UHFFFAOYSA-N 371.861 4.496 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)OCc1nc(-c2ccc(F)cc2)no1 7019021 WLCXKPGULQSIKE-UHFFFAOYSA-N 365.364 4.033 0 40 FIAB O=C(OCc1nnc(-c2ccccc2)o1)c1csc(-c2cccs2)n1 7075192 HWIKQBPMJRLMSQ-UHFFFAOYSA-N 369.427 4.279 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccccc2C)CC1=O 7928205 HQPBZVZSTNYDSS-GOSISDBHSA-N 350.462 4.111 0 40 FIAB COc1ccc(-c2nc(C(=O)OCc3nc4ccccc4o3)cs2)cc1 8005252 VSHRTLQVVWJMSG-UHFFFAOYSA-N 366.398 4.317 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 8497887 BMYGTMCQEFEVQZ-MRXNPFEDSA-N 368.477 4.238 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2nonc2-c2ccccc2)cc1 8868549 JRBRLILWRHTGMO-UHFFFAOYSA-N 351.406 4.052 0 40 FIAB Cc1cc(Br)c(NC(=O)Cn2cnc3ccccc32)cc1C 9295409 RXGWBJZETACSQY-UHFFFAOYSA-N 358.239 4.054 0 40 FIAB Cc1nnc(COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)o1 9835741 PPGRISGZGMSJCW-UHFFFAOYSA-N 364.357 4.164 0 40 FIAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 9897940 GZLWEPNBFAHIFY-UHFFFAOYSA-N 366.461 4.350 0 40 FIAB O=C(c1ccc(Br)o1)N(Cc1cccs1)c1ccccn1 11914632 IAFSGLFUCQNAMW-UHFFFAOYSA-N 363.236 4.346 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 12541298 GODKRZWLOAQKEI-DSQUVOCVSA-N 363.505 4.232 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F 12602451 SSHKMKDEMSEMFH-CQSZACIVSA-N 359.420 4.394 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@H](NC(C)=O)C3CCCC3)n2)cc1 12622868 UPCFWMGNAYMXMS-GOSISDBHSA-N 371.506 4.006 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)CCC(=O)c1ccc2c(c1)CCCC2 12768133 FQHOFCFRNMARMZ-MRXNPFEDSA-N 365.473 4.414 0 40 FIAB CSc1ncccc1C(=O)NCCCCOc1ccc(Cl)cc1 12778331 RSYRCHZDBHTVRC-UHFFFAOYSA-N 350.871 4.046 0 40 FIAB O=c1c2ccsc2ncn1CCOC(c1ccccc1)c1ccccc1 12901844 MNXVVXGDMMQODY-UHFFFAOYSA-N 362.454 4.264 0 40 FIAB O=C(CCn1ccc2ccc(Br)cc21)Nc1cccc(O)c1 13718670 CFAPUZZVFLLMQB-UHFFFAOYSA-N 359.223 4.138 0 40 FIAB COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1OC 14140083 JUWRTQRIPWFWGL-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1 15882987 JVKCDIWBOCJVKI-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Clc1cccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)c1 16523923 XWFTUIWHZNARBH-UHFFFAOYSA-N 374.835 4.317 0 40 FIAB Cc1ccc(CNC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1 16840599 OKYPKOJMNWXEBL-UHFFFAOYSA-N 356.422 4.198 0 40 FIAB O=C(Cc1noc2ccccc12)Nc1ccc(OC(F)F)c(Cl)c1 19200434 MWMPINGGCDPWOT-UHFFFAOYSA-N 352.724 4.264 0 40 FIAB CCc1cc(CNC(=O)c2cc(-c3ccccn3)nc3c(C)cccc23)on1 19522816 UGFWSUCVFYYWPM-UHFFFAOYSA-N 372.428 4.086 0 40 FIAB CCOc1cc(CNCCc2ccccc2)cc(Br)c1OC 22074378 ZDCHQKYTTDMRHT-UHFFFAOYSA-N 364.283 4.189 0 40 FIAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCc1ccc(F)cc1 23127266 BFOCIWTVBCPCFY-UHFFFAOYSA-N 350.349 4.086 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3csc(-c4ccco4)n3)o2)cs1 29555927 JTCTYHNVIAYWCN-UHFFFAOYSA-N 371.443 4.358 0 40 FIAB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc2ncccc12 30313350 WALCPKYUGOZPMS-UHFFFAOYSA-N 360.335 4.406 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 30756335 BJLMUBABKIXWGA-YWZLYKJASA-N 357.450 4.129 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2N(C)C)c1 33122208 XDAHSBNWEOUEQB-UHFFFAOYSA-N 365.433 4.189 0 40 FIAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 35448423 MXNGVSYSZYFQIJ-OAHLLOKOSA-N 367.880 4.215 0 40 FIAB CN(C)CCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 36614222 CMGKCKLWOVJGJH-UHFFFAOYSA-N 358.795 4.179 0 40 FIAB CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1C[C@@H](C)O[C@H](C)C1 36624727 RPJQIINPUPRITH-HUUCEWRRSA-N 366.461 4.122 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)c3cc(-c4ccccc4)on3)nc2C1 36646812 ZEOFLFJMCVZAOX-UHFFFAOYSA-N 367.430 4.206 0 40 FIAB Cc1nc(C)c(-c2nnc(S[C@@H](C)c3nc(C(C)C)no3)o2)s1 37170386 MFLKCWKGGVHUDJ-QMMMGPOBSA-N 351.457 4.170 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 38771955 YPJRZXBFOZQKNE-SFHVURJKSA-N 366.505 4.418 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCCc1nc2ccccc2[nH]1 40049109 WPNOYGRXTKPUOP-FUHIMQAGSA-N 371.525 4.089 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2-n2cccn2)c1 40088393 BRBWOHJUKPEGKY-UHFFFAOYSA-N 362.433 4.109 0 40 FIAB c1cc(-c2nc(CN(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cs2)cs1 40153570 NRLIYHQVEKUJJE-IRXDYDNUSA-N 364.536 4.032 0 40 FIAB COc1ccc(-c2nnc3sc(-c4c(F)cccc4Cl)nn23)cc1 40288070 ZGUPSZXQQUAMGQ-UHFFFAOYSA-N 360.801 4.321 0 40 FIAB Cc1csc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)n1 40309748 VHDIHUUKYLVDKC-UHFFFAOYSA-N 368.414 4.102 0 40 FIAB biogenic CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 41095699 ZOLPXFWYPGIJDN-UHFFFAOYSA-N 368.886 4.366 0 40 FIAB CC1(C)N=C(c2ccc(Cl)cc2)C(=S)N1C(=O)c1cccc(F)c1 45933191 IYNQOZKKNFXKHF-UHFFFAOYSA-N 360.841 4.488 0 40 FIAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(c2ccc(F)cc2)CC1 54582785 LOHBSUSSGIYULC-AWEZNQCLSA-N 374.410 4.454 0 40 FIAB Cc1nc(N2CCN(Cc3ccccc3)CC2)c2oc3ccccc3c2n1 57122072 RBNYBTIXKJRWOX-UHFFFAOYSA-N 358.445 4.007 0 40 FIAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H](C)c3cccc(F)c3)c2)n1 58015827 SRZKLWMQVMGCKU-INIZCTEOSA-N 351.425 4.178 0 40 FIAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccc(Cl)cc1 58244410 SUDJIDQNNGIQNM-UHFFFAOYSA-N 359.788 4.498 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 64334496 FTEQGLQTFKEGHF-LLVKDONJSA-N 374.491 4.186 0 40 FIAB COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1nc(C)c(C)s1 65474907 ZNAXQWLAYYGKKI-UHFFFAOYSA-N 361.854 4.465 0 40 FIAB O=C(Nc1cccc(C2SCCS2)c1)c1c(O)cc(F)cc1F 66042199 ABAPWPWGNYHHEW-UHFFFAOYSA-N 353.415 4.401 0 40 FIAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](O)(c1ccccc1)C(F)(F)F 72208732 KYULFLRGRVIACI-WMLDXEAASA-N 359.388 4.226 0 40 FIAB O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 72331308 XZAHZJPARLVFOE-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB O=C(NCc1ccc2ccccc2c1)NC[C@H]1CCN(c2ccccc2)C1 89845593 SQNXHEWZPRNSAQ-LJQANCHMSA-N 359.473 4.166 0 40 FIAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2Cl)C3)cc1 96269404 JVQQEMCOLJLKAF-SFHVURJKSA-N 367.880 4.201 0 40 FIAB biogenic,in-vitro Cc1cccc(-c2nn3c(O)cc(CCc4c(C)noc4C)nc3c2C)c1 100776329 VDOKZMKCINWYMO-UHFFFAOYSA-N 362.433 4.109 0 40 FIAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c(OC)c1 100834934 IRRYFXGMZANLDH-QGZVFWFLSA-N 368.824 4.005 0 40 FIAB CC(C)c1ccc(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c(O)c1 108831526 AJQUCKQPHHTJMV-UHFFFAOYSA-N 363.461 4.412 0 40 FIAB O=C(Nc1ccccc1F)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219241736 AVWNYWXMHSALCR-SFHVURJKSA-N 374.437 4.267 0 40 FIAB CCOC(=O)Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 222964297 HEQYLESWAPSSSD-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Br)cc3F)n2c1 223147817 FKBXFCQRVPBHOO-UHFFFAOYSA-N 362.202 4.105 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 223678520 QBBZOMHREQLSJK-IRXDYDNUSA-N 371.477 4.274 0 40 FIAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224480085 ZUSUGQNQHQOMQJ-ZWKOTPCHSA-N 368.893 4.251 0 40 FIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225824834 ZDUGPYQEDOKYEX-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)c(C)c1 226253082 AFGPQIXRZBBMKX-QGZVFWFLSA-N 367.493 4.282 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@H](O)CN1CCc3ccccc3C1)C2 253531694 ZDEGWONPYAWLCN-FKEBYFGASA-N 357.538 4.027 0 40 FIAB Fc1ccccc1CN1CCO[C@@H](c2cccc(Cc3ccccc3)n2)C1 257302948 SFCPIIFRFMWWTE-HSZRJFAPSA-N 362.448 4.385 0 40 FIAB COc1cccc(-c2ccc([C@@H]3CCCCN3Cc3cnn(C)c3)cn2)c1 257304940 SNTSABLUZUPFEN-QFIPXVFZSA-N 362.477 4.218 0 40 FIAB C[C@H]1C[C@H](CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C[C@@H](C)O1 332301793 NKZKCDYTMQGHAE-BJWYYQGGSA-N 369.509 4.103 0 40 FIAB CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(OC)cc1 408828506 MQYXJQUKZVZLNF-UHFFFAOYSA-N 353.447 4.419 0 40 FIAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)cc1 409374259 ZEKDKCJKMAGELJ-LGGPRVQUSA-N 371.436 4.090 0 40 FIAB O=C(CCCn1cccc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 524735791 YTAKLONVZJCCNG-NRFANRHFSA-N 372.472 4.245 0 40 FIAB Cc1ccc(C)n1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 575443277 QELNSBMFJIXYNM-LJQANCHMSA-N 350.466 4.125 0 40 FIAB Cc1ccc(CCC(=O)N2Cc3ccccc3[C@H](c3cnn(C)c3)C2)cc1C 585410171 WULBGLFTQHHNPN-QHCPKHFHSA-N 373.500 4.144 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)c2ccccc21 1587138145 LPMFBUPPCWEGRG-MRXNPFEDSA-N 356.397 4.303 0 40 FIAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc3c(C(F)(F)F)cccc3s2)C1 1889128365 ZTDHIXPPVDMWEM-SNVBAGLBSA-N 371.428 4.056 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)C2CC(F)(F)C2)CN1c1ccc(F)cc1 2037989119 WEHDGGDVRHEBNO-LJQANCHMSA-N 366.427 4.221 0 40 FIAB Cc1nc(Nc2ccc(N(C)C)cc2)c2cnn(CCc3ccccc3)c2n1 646855 OFFZEQUXVSSHQR-UHFFFAOYSA-N 372.476 4.187 0 40 FIAB COc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CCC2 722369 HMDUHOVHIMOCEA-UHFFFAOYSA-N 372.490 4.482 0 40 FIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2c(c1)OCO2 809538 NYZRXTSTRDJLFJ-UHFFFAOYSA-N 357.369 4.211 0 40 FIAB CCOC(=O)c1ccccc1C(=O)c1ccccc1CN1CCCCC1 2515497 KONINNGYORTZQB-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB O=C(OCc1cc(Cl)nc(Cl)c1)c1cc(Cl)nc(Cl)c1 2555933 QDWPEWPXWHWXCD-UHFFFAOYSA-N 352.004 4.447 0 40 FIAB Cc1cc(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c(C)o1 2636709 HTEMZZZUZSRWNR-UHFFFAOYSA-N 365.385 4.484 0 40 FIAB Cc1cccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1 3225117 JNYQFIASMKSSDX-UHFFFAOYSA-N 355.409 4.128 0 40 FIAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3ccc(F)cc3)c2n1 3765471 DUUUTYJJKABJTH-UHFFFAOYSA-N 361.420 4.375 0 40 FIAB Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)c(C)c1 3893768 AIPOSJPUOSGZHA-GFOFROLCSA-N 370.474 4.112 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1cccc(-c2cn3ccsc3n2)c1 4249024 QEGCBZKBHRTGMT-UHFFFAOYSA-N 351.406 4.383 0 40 FIAB CCOc1ccccc1C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 6650573 SPCZMCFPHKQLCH-CQSZACIVSA-N 351.402 4.303 0 40 FIAB O=C(c1cccc(F)c1)N1C[C@@H]2COc3ccccc3[C@@H]2N1c1ccccc1 6674758 VHFOHTAFFQVVOP-VGOFRKELSA-N 374.415 4.453 0 40 FIAB COc1ccc(-c2noc(-c3cc4cc(Cl)ccc4oc3=O)n2)cc1 6868014 QOYMCYUABXELTE-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB COc1cccc(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 6879377 WOROVZLOBQBMQR-HXUWFJFHSA-N 355.434 4.344 0 40 FIAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 7091848 GVRZWRZKLUHWER-LBPRGKRZSA-N 360.841 4.299 0 40 FIAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c(F)c1 7580660 HLVXJQWSKGNEBX-UHFFFAOYSA-N 358.438 4.430 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)c1nc(-c2cccnc2)nc2ccccc12 8268887 KDTNSRXPGJKLNO-UHFFFAOYSA-N 370.412 4.057 0 40 FIAB O=C(CCc1ncc(-c2ccccc2F)o1)NC12CC3CC(CC(C3)C1)C2 8707270 ABZVCWJCBAVUAA-UHFFFAOYSA-N 368.452 4.498 0 40 FIAB CCOc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)cc1 9141412 HPBLKMPXGOKBNN-UHFFFAOYSA-N 352.438 4.112 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 10315045 CTTZDJGWEYIGQV-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccccc2Br)c(C)c1 10446423 HLSBBFPUIRLBAO-UHFFFAOYSA-N 362.223 4.187 0 40 FIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c2c1[C@@H](C)CC2=O 11052831 QKFHOTSWDQLZKS-UONOGXRCSA-N 355.409 4.080 0 40 FIAB CC(=O)c1cccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)c1 12390027 PMRYUSBOIQGTPX-UHFFFAOYSA-N 364.792 4.440 0 40 FIAB COc1ccc2cc(CN(C)C(=O)CCc3nc4ccccc4[nH]3)ccc2c1 12547519 BBJKDUGDLLNRKD-UHFFFAOYSA-N 373.456 4.316 0 40 FIAB COc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1 12654300 PMKVVDYFRVLSFD-UHFFFAOYSA-N 350.418 4.186 0 40 FIAB CC(C)n1ncc2c(C(=O)N3CCCCCC3)cc(-c3ccco3)nc21 12736733 BENQCOHKDXWMJT-UHFFFAOYSA-N 352.438 4.288 0 40 FIAB COc1cccc(-c2nc(C(=O)N3CCc4ccccc43)cs2)c1OC 12822298 XXCIYXDJYBHCCY-UHFFFAOYSA-N 366.442 4.030 0 40 FIAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NC(C)(C)C 12863935 HGZMMLORGDJOPV-LBPRGKRZSA-N 355.463 4.285 0 40 FIAB CC(C)c1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 12865176 GWIBGCOBCIXEGU-UHFFFAOYSA-N 363.461 4.165 0 40 FIAB COc1ccc(OC)c(NC(=O)c2sc(-c3ccsc3)nc2C)c1 12920362 SRWGJJPLDAGFLR-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB NC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1 12932121 DIIFVTZKAFMOQA-UHFFFAOYSA-N 372.424 4.054 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(C)ccc2O)n[nH]1 13121736 CUNJFRGHSSFLOC-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB C[C@H](N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc12 14157442 CZDZLNZAPGIGON-FDDCHVKYSA-N 374.484 4.091 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 14258448 HCYZVNCJHHIVPA-UHFFFAOYSA-N 356.422 4.085 0 40 FIAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)/C=C\c1ccccc1 16955250 BNGRBSJKYJSMON-FLIBITNWSA-N 370.412 4.057 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](c2ccncc2)c2cccs2)cc1C 19214211 MGTKIAXPULWWLH-UZLBHIALSA-N 366.486 4.433 0 40 FIAB O=C(CCc1ccccc1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19370848 KWCNPNQYFFIGST-UHFFFAOYSA-N 365.408 4.075 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(C)c2C)n1 21168577 VYUGHNBCSXQZID-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB CC(C)C(=O)N1CCCc2cc(NC(=O)NCc3cccs3)ccc21 22504439 ACLQPKTXOSFCCQ-UHFFFAOYSA-N 357.479 4.005 0 40 FIAB O=C(Cc1cc(-c2cc3ccccc3o2)on1)NCCCc1ccccc1 23127279 QURXEBUUCKRREE-UHFFFAOYSA-N 360.413 4.379 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc2c(C)c(C)[nH]c12 24859374 REJMJZUFSMUOGI-UHFFFAOYSA-N 363.461 4.112 0 40 FIAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)NCCC1=CCCCC1 25213776 XIQGULPASXEIRF-ZDUSSCGKSA-N 356.388 4.392 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccsc1 25331222 YPELVQTXGAXXJD-CQSZACIVSA-N 374.453 4.393 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 26242950 VQCXMMGMONKKHH-QWHCGFSZSA-N 357.479 4.218 0 40 FIAB Cc1ccnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c1 27646443 WIKWNEBYUCDDME-UHFFFAOYSA-N 358.401 4.396 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1cccc(F)c1)c1ccccn1 28293670 ZDPZDRFBURZTOO-HNNXBMFYSA-N 368.383 4.361 0 40 FIAB COc1ccc(CSc2nc3sc4ccccc4c3c(=O)n2C)cc1 32109926 HHGHKMFDFUFGBX-UHFFFAOYSA-N 368.483 4.449 0 40 FIAB COCc1c(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)oc2ccccc12 32745015 RJTLRKJOWZRKPG-LBPRGKRZSA-N 357.381 4.218 0 40 FIAB C[C@H](Nc1cccc(OC2CCCC2)c1)C(=O)N1CCc2ccccc21 36392608 XXTZPWBOZBBTCI-INIZCTEOSA-N 350.462 4.398 0 40 FIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(F)cc1F 40108492 ADDCTLLPSNPRGY-JTQLQIEISA-N 354.194 4.088 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3cc(C)sc3C)ccc21 40145056 JDOCAIWUBLDZGF-ZDUSSCGKSA-N 356.491 4.155 0 40 FIAB O=C(NCc1ccc(N2CCCCC2)nc1)c1ccccc1C(F)(F)F 48373021 JQHOLYFPJDBNEH-UHFFFAOYSA-N 363.383 4.021 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cc(NC(=O)c2ccco2)ccc1C 57316193 PARJLDTZWOXXIQ-UHFFFAOYSA-N 373.478 4.234 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1OCc1cscn1 58208977 MZJBXKXHPCNDLA-UHFFFAOYSA-N 366.442 4.324 0 40 FIAB Cc1cc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)n(Cc2ccccc2)n1 65985956 CRPXXEVLEMAMGI-VCWRXUFXSA-N 364.493 4.282 0 40 FIAB O=C(NCCCn1ccnc1-c1ccccc1)c1ccccc1C(F)(F)F 90583285 SSDJPNZPHSREOD-UHFFFAOYSA-N 373.378 4.389 0 40 FIAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 94993177 WWTZLILAAJRLEC-UHFFFAOYSA-N 374.403 4.074 0 40 FIAB Cc1nsc2ncc(C(=O)Nc3ccc4sc(C(=O)O)cc4c3)cc12 95970430 CKQIOQVXTPKPAR-UHFFFAOYSA-N 369.427 4.165 0 40 FIAB C[C@@](O)(COc1cccc2c1CCC2=O)c1cccc(C(F)(F)F)c1 95982031 UICDKUCSWPGULU-GOSISDBHSA-N 350.336 4.121 0 40 FIAB Cn1c(SCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)nc2ccccc21 101872839 JNZCGQALYYPAPJ-VLIAUNLRSA-N 357.523 4.093 0 40 FIAB COc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c(OC)c1 222605991 DFIOHOIYPSGOJV-UHFFFAOYSA-N 369.808 4.067 0 40 FIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)S1 222636078 CGWOACRLYMMXIH-YSSFQJQWSA-N 360.486 4.462 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C 222864749 ILQUZEDYJPOXCI-RBUKOAKNSA-N 354.523 4.217 0 40 FIAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 224911592 GOYBTKFXFNKOSF-GFCCVEGCSA-N 359.297 4.037 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CSCc3cccc(C)c3)ccc21 225121118 MSJJXUIJDTXIGH-UHFFFAOYSA-N 372.515 4.263 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCCSC2CCCCC2)c1 225591225 MESAQTQDTIZNIW-UHFFFAOYSA-N 366.552 4.216 0 40 FIAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(Cc3ncccc3F)C2)nc1 257310745 UGIUOGBFSVHGEX-QGZVFWFLSA-N 366.440 4.267 0 40 FIAB COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)cc1 408821955 AQTSXVVYPQSJEV-UHFFFAOYSA-N 353.418 4.198 0 40 FIAB Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)nn1-c1cccc(F)c1 539790156 XFDSSAPMAOKCFW-UHFFFAOYSA-N 361.323 4.174 0 40 FIAB COc1ccc(CC(=O)N[C@@H](C)Cc2csc3ccccc23)cc1OC 575619321 DCZPDONVWOQWLM-AWEZNQCLSA-N 369.486 4.208 0 40 FIAB Cc1csc(C2(NC(=O)c3cnc4c(F)cccc4c3)CCCC2)n1 580103509 KNBVAQSGBGJAOO-UHFFFAOYSA-N 355.438 4.338 0 40 FIAB O=C1CCN(Cc2ccccc2)C(=O)N1Cc1ccccc1C(F)(F)F 1615059027 UGPUTXIKRWGIJH-UHFFFAOYSA-N 362.351 4.060 0 40 FIAB COc1ccc(CCNC(=O)NCc2cc(-c3ccco3)cs2)cc1 1775968624 HTXKKTDPTXFZDR-UHFFFAOYSA-N 356.447 4.059 0 40 FIAB Cc1ccc(S(=O)(=O)NCc2cc(-c3ccsc3)cs2)s1 1775969697 GSAKTITWKUZGTJ-UHFFFAOYSA-N 355.531 4.325 0 40 FIAB Cc1cccc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)n1 2037846387 OYAXEDZUDQRUDI-UHFFFAOYSA-N 366.440 4.324 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c1 1312267 ISYXZSKSIDVNCT-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1Cc2c(ccc3ccccc23)O1 1398998 RMRCDOXBZPLZCK-IBGZPJMESA-N 371.358 4.479 0 40 FIAB Cc1ccc(-c2nnc3sc(Cc4noc5c(C)cccc45)nn23)cc1 2183274 RAPAAMDHEGFPND-UHFFFAOYSA-N 361.430 4.202 0 40 FIAB CCCCNC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2238017 UGDBYKWRTDWNAO-UHFFFAOYSA-N 365.481 4.202 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C 2334890 VNCALMMWUKDNMV-UHFFFAOYSA-N 372.519 4.398 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(F)c1 2721892 KQVKTTCSIQQVQY-UHFFFAOYSA-N 357.410 4.293 0 40 FIAB Cc1occc1C(=O)Nc1ccc(Br)c(Br)c1 2734112 KLNTUUPRCHESQI-UHFFFAOYSA-N 359.017 4.365 0 40 FIAB CCOC(=O)c1sc2nc(C)nc(NCCc3ccccc3)c2c1C 3255208 CTLBXDZPEHXIAL-UHFFFAOYSA-N 355.463 4.139 0 40 FIAB Cc1cccc(C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1O 3316186 FIUGSQRIUHHYLO-UHFFFAOYSA-N 368.216 4.111 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)NC1CCCCCCC1 3475134 VKDSKSQXBDZWPM-UHFFFAOYSA-N 351.497 4.119 0 40 FIAB Cc1cnc(NC(=O)CCCOc2ccc(Br)cc2)s1 3560841 XRFZXJQOULTSAK-UHFFFAOYSA-N 355.257 4.012 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)cc1 4949060 DJWLZRDQJQZOMH-IAGOWNOFSA-N 360.457 4.460 0 40 FIAB CNC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCC2 5055728 CSUUOOGQGXOQSD-UHFFFAOYSA-N 356.491 4.146 0 40 FIAB COc1ccc(-c2c(C)nn3c(N4CCCCC4)cc(C)nc23)cc1OC 5241440 BODLFMDQBFYQLP-UHFFFAOYSA-N 366.465 4.021 0 40 FIAB COc1cc(C)c(NC(=O)/C=C/c2nc3ccccc3s2)cc1OC 5616609 VSKIEWMSDNNNIQ-CMDGGOBGSA-N 354.431 4.274 0 40 FIAB CC(C)Sc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 5625102 OCBBEWIVHWIHKW-UHFFFAOYSA-N 366.490 4.365 0 40 FIAB aggregator c1ccc(CNc2nnc(SCc3cn4ccccc4n3)s2)cc1 6029530 FKNXWVYRESUYND-UHFFFAOYSA-N 353.476 4.090 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)Cc2cccc3ccccc23)CC1 6248354 SNPUNRYLPSPBPP-UHFFFAOYSA-N 374.484 4.130 0 40 FIAB COc1ccc(Nc2ncnc3c2cnn3Cc2ccc(Cl)cc2)cc1 6673428 WUPBURYLZMAJLS-UHFFFAOYSA-N 365.824 4.280 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1 7196374 AUQLJVMCYAEBSL-GFCCVEGCSA-N 358.419 4.400 0 40 FIAB CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 7377481 BKVHRQPQIFPQOR-AQTBWJFISA-N 352.459 4.188 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1cccc(C)c1 8500042 GSRYZXGPJOKUBM-SFHVURJKSA-N 373.518 4.211 0 40 FIAB COc1cc(Cl)c(C)cc1Nc1nc2ccccc2c2nnc(C)n12 8594601 HPVUENSEFZNIPY-UHFFFAOYSA-N 353.813 4.300 0 40 FIAB COc1cc(C(=O)O[C@@H](C)C(C)=O)ccc1OCc1ccc(Cl)cc1 9247455 QVVYSTOGJJPLLM-ZDUSSCGKSA-N 362.809 4.062 0 40 FIAB COc1ccc(NC(=O)CSCC(=O)c2c(C)[nH]c3ccccc23)cc1 9306841 USAOICFKRMFTSY-UHFFFAOYSA-N 368.458 4.040 0 40 FIAB O=C1C[C@H](c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc(F)cc1 9318139 NHFBNEWCCAUBEG-LBPRGKRZSA-N 357.772 4.050 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCN1CCCCCC1 10111087 JOBRZXGZYNVCJN-VQHVLOKHSA-N 355.309 4.389 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 10443314 UTDPDRSNVIHRAI-UHFFFAOYSA-N 366.509 4.267 0 40 FIAB Cc1nnc(SC[C@H](O)COc2ccc(-c3ccccc3)cc2)s1 11675610 QQWVKPXFEPHQDP-MRXNPFEDSA-N 358.488 4.046 0 40 FIAB O=C(Nc1ccccc1)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 11694498 JPJKXGAUPHHBEL-UHFFFAOYSA-N 359.433 4.388 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cccc(F)c1 12226367 XSAUYYZCQSPKGH-UHFFFAOYSA-N 366.314 4.445 0 40 FIAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(Cl)c1Cl 12754517 RKLRDAHMIATXQD-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3ccccc23)CC1 12769597 JLBYRGIASNRFJB-UHFFFAOYSA-N 354.450 4.425 0 40 FIAB COc1ccc(CC(=O)Nc2cccc(OC3CCCC3)c2)cc1OC 12887187 WDFVGYDFDGODAG-UHFFFAOYSA-N 355.434 4.206 0 40 FIAB CCCCC[C@H](O)/C=C\[C@H]1[C@@H]2CO[C@@H](C2)[C@@H]1C/C=C\CCCC(=O)O 13525252 DJKDIKIDYDXHDD-HDNXODJWSA-N 350.499 4.336 0 40 FIAB CN(C(=O)c1ccccc1Br)c1ccc(N2CCCC2)cc1 13672333 JEXDIUGUFKUSMI-UHFFFAOYSA-N 359.267 4.326 0 40 FIAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2Cl)c(OC)c1OC 14183537 IBZVSPIDKLVJHN-UHFFFAOYSA-N 370.232 4.200 0 40 FIAB COc1ccccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 15629118 IWCHMJDOHPGIJA-UHFFFAOYSA-N 373.412 4.174 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1N1CCCC1=O 16105433 WEBOEMOTTLXNHJ-UHFFFAOYSA-N 362.351 4.013 0 40 FIAB CCc1ccc(-c2cc3c(=O)n(Cc4ccc(Cl)cc4)ccn3n2)cc1 16840103 JPLQSOCUVFSPIF-UHFFFAOYSA-N 363.848 4.427 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c1 17075766 LYXMTSCKJXNBQV-UHFFFAOYSA-N 369.490 4.025 0 40 FIAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)c2ccccc2Cl)c1 23871168 WZASZXGBUYZGPI-NSHDSACASA-N 374.824 4.175 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1 24218187 YMHHOWGPQLDKQJ-HNNXBMFYSA-N 356.491 4.087 0 40 FIAB CCn1cnnc1-c1cccc(NC(=O)c2occc2-c2ccccc2)c1 24581604 NEQPBMKPUUGTTH-UHFFFAOYSA-N 358.401 4.477 0 40 FIAB O=C(c1ccccc1OC(F)F)N1CCC[C@@H](c2nc3ccccc3o2)C1 24692383 OJWNNDDFVCFWIY-CYBMUJFWSA-N 372.371 4.449 0 40 FIAB Cc1cc2ccccc2n1CC(=O)OCc1cc(-c2cccs2)on1 25191944 IXIVMQCRXZYJND-UHFFFAOYSA-N 352.415 4.410 0 40 FIAB COc1ccc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1 27995351 SWLUYBMDNSSWJY-UHFFFAOYSA-N 357.416 4.274 0 40 FIAB Fc1ccc(-c2nnc(Nc3ccn(Cc4ccccc4F)n3)s2)cc1 28239921 YJMYPIIOCXMSIX-UHFFFAOYSA-N 369.400 4.472 0 40 FIAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccccc1SC(F)F 28318267 GWSBQSXTMGFRSN-UHFFFAOYSA-N 365.405 4.152 0 40 FIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(Br)c[nH]1 30135539 CEHJQEGDYRMWGC-UHFFFAOYSA-N 351.288 4.066 0 40 FIAB Cc1nc(NC(=O)c2cccs2)sc1-c1nc(-c2ccccc2)no1 31816227 AFQRWVMLNQAASK-UHFFFAOYSA-N 368.443 4.482 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(Cc1cccnc1)C1CC1 32336088 HGNIMABNNRXGHT-UHFFFAOYSA-N 351.837 4.396 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2ccc(O)cc2)CC1 32891539 ZLIBHZKRIBJPMZ-KRWDZBQOSA-N 352.478 4.303 0 40 FIAB COc1ccc([C@@H](NC(=O)c2cc(-c3ccc(F)cc3)no2)C2CC2)cc1 35322663 HIJFXDOOVYSMIE-FQEVSTJZSA-N 366.392 4.370 0 40 FIAB COc1ccc(NC[C@@H](O)CN2c3ccccc3[C@H]3CCCC[C@@H]32)cc1 37613823 XDAVWKLHIMQTGM-ZNLUXHQJSA-N 352.478 4.014 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 40062777 PHFYIUZMQZHHKD-UHFFFAOYSA-N 367.430 4.312 0 40 FIAB CCCCOc1ccc(OC)cc1NC(=O)c1ccccc1-n1cccn1 40142064 OHMMQKKOSOVLHA-UHFFFAOYSA-N 365.433 4.312 0 40 FIAB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2ccsc2)CC(O)=N3)cc1 40266991 PLQSRJZQYLDPDL-AWEZNQCLSA-N 368.414 4.369 0 40 FIAB O=C(O)c1cn(-c2cccc(F)c2)c2c1N=C(O)C[C@@H]2c1ccsc1 44901185 NOJSYDMVQUAAKJ-CYBMUJFWSA-N 356.378 4.500 0 40 FIAB CC(C)COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 44902013 MQEZSWZXZKLSQD-GOSISDBHSA-N 362.433 4.426 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 44908946 HUJOWAVCRFJYQR-LJQANCHMSA-N 366.505 4.036 0 40 FIAB Cc1c([C@H](C)NC(=O)N(C)C2CCC(c3ccccc3)CC2)cnn1C 47005667 PLLJFMDJWFJTSC-MNNVXMFVSA-N 354.498 4.157 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccsc2)o1 49029111 OWWKASABUMUYFI-UHFFFAOYSA-N 363.826 4.248 0 40 FIAB O=C1COc2cc(C(=O)N3CCC[C@@H]3c3cccc4ccccc34)ccc2N1 56363053 JIAGFJZEGNQRAZ-HXUWFJFHSA-N 372.424 4.148 0 40 FIAB CCOc1cccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57413682 IBGCNSAWKQDIQM-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB Fc1cccc(-n2ccc(CSc3nc(-c4ccccc4F)n[nH]3)n2)c1 58157399 LETIWECTNZMTEE-UHFFFAOYSA-N 369.400 4.228 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)N(CC(F)(F)F)c1ccccn1 60059268 NLLFNMPAPYZDIG-NSHDSACASA-N 358.747 4.098 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2ccc([S@@](=O)C(C)C)cc2)cc1 72300987 JADFCGQNGMJSNF-AREMUKBSSA-N 373.474 4.022 0 40 FIAB c1ccc(OCc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 80346468 FAIKDTCKJNZIBP-UHFFFAOYSA-N 366.490 4.233 0 40 FIAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OC1CCCCCC1 84459267 MONIZCYYYIEHEZ-HNNXBMFYSA-N 353.871 4.409 0 40 FIAB COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)c1 95116635 XOXXWAPEPCOBIP-GOSISDBHSA-N 373.250 4.155 0 40 FIAB COc1ccc(CN(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1F 95951869 OHWAOYMXKCYEJT-WMZOPIPTSA-N 370.251 4.231 0 40 FIAB CCN1C/C(=C/c2ccc(F)cc2)c2nc3ccccc3c(C(=O)O)c2C1 96399894 RZCOOQYJAFRQDB-PTNGSMBKSA-N 362.404 4.448 0 40 FIAB CSc1ncc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1-c1ccc(F)cc1 103468985 DGIZVVZHXWYGHA-WSMBLCCSSA-N 373.497 4.288 0 40 FIAB O=C(O)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 216921734 WVVFPRRUOKJMKI-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB COc1cc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)ccc1OC(C)C 219525558 SPKNGOMDDPKHHK-KRWDZBQOSA-N 371.477 4.183 0 40 FIAB Cc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)c1 223104905 DYXVBQXRXWDZML-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 223698153 MZVZULHACBUXBD-SCUMNGBJSA-N 353.506 4.418 0 40 FIAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 224388154 KTHROIKMKZNSCK-DLBZAZTESA-N 355.463 4.459 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1ccc2c(c1)CCCC2 224558153 HWXMPDJFTMEIBM-UHFFFAOYSA-N 367.489 4.092 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(SC(C)C)s1 225433200 HRVUSMVKWBPNFO-LBPRGKRZSA-N 351.497 4.143 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 225487113 RKWAFSJHEYNBJM-MRXNPFEDSA-N 360.479 4.150 0 40 FIAB Cc1ccc(CSCCNC(=O)COc2cccc3c2CCCC3)cc1 225583715 YSFMNYWCEBLZFL-UHFFFAOYSA-N 369.530 4.302 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc(C(F)(F)F)c1 225615760 NHTQDZXSAFSEKQ-OAHLLOKOSA-N 367.367 4.188 0 40 FIAB Cc1ccc2oc(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cc2c1 226036181 PQKNKBLVXJQQQG-UHFFFAOYSA-N 362.212 4.338 0 40 FIAB O=C(c1ccc(Cl)s1)N1CC[C@@H](Oc2cccc3cccnc23)C1 253402715 OOZCEWMLRNETDL-CYBMUJFWSA-N 358.850 4.243 0 40 FIAB COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@]4(O)[C@H]3CC[C@@]2(C)C1 253617591 XHSWJTDGBUQZOI-OTMRLVHASA-N 364.526 4.092 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257296601 RDMYYEFPDCQHNV-GOSISDBHSA-N 367.836 4.291 0 40 FIAB O=C(NCc1ccc(Cl)cc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830340 KJHFYCDVGZONHN-IRXDYDNUSA-N 371.868 4.019 0 40 FIAB CCc1oc2ccccc2c1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 557025658 SRRXBYYUODBLGV-OAHLLOKOSA-N 350.466 4.370 0 40 FIAB COC(=O)CCCCC(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358238 OQHQCJNUHCRECH-UHFFFAOYSA-N 362.372 4.460 0 40 FIAB O=S(=O)(NC[C@H](c1ccco1)c1cccs1)c1ccccc1Cl 585146778 OYIBOUVEWNHALJ-GFCCVEGCSA-N 367.879 4.105 0 40 FIAB C[C@H](NC(=O)Cc1ccc(Br)c(Cl)c1)c1cccc(O)c1 682513999 GDVBSZNGZYLFDU-JTQLQIEISA-N 368.658 4.228 0 40 FIAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1 633614 IRLUUOKUJMDTAG-INIZCTEOSA-N 370.619 4.060 0 40 FIAB Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)c1ccccc1 797548 OBPFFEDJMUFQEM-UHFFFAOYSA-N 372.881 4.056 0 40 FIAB O=C(Nc1nnc(COc2ccccc2F)s1)c1ccccc1Cl 897785 KUHJBIVZNLEVGW-UHFFFAOYSA-N 363.801 4.162 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1cccc(C)c1 917260 FWOMMRRPZGFWNO-OAHLLOKOSA-N 366.490 4.393 0 40 FIAB CCc1c(C)sc(NC(=O)c2ccccc2OC)c1C(=O)OC(C)C 997996 DYGDSVQSUHVBOR-UHFFFAOYSA-N 361.463 4.445 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)[C@H]1c1ccccc1 2314498 QCTWYOXBVNWMSS-UNMCSNQZSA-N 356.425 4.420 0 40 FIAB CC(C)OCCCNc1ncc2c(n1)C[C@H](c1ccccc1Cl)CC2=O 2348095 RWPXXXUEHPJOGF-AWEZNQCLSA-N 373.884 4.270 0 40 FIAB O=C(Cc1ccc(Cl)cc1)c1ccccc1I 2393000 CWVGDCUVNNXURN-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(=O)OC(C)C)cc1 2763204 JOIVXBJYYRMQJL-UHFFFAOYSA-N 361.463 4.256 0 40 FIAB Cc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1C 2919786 SZTHWKSEMKLMNT-CVEARBPZSA-N 357.820 4.229 0 40 FIAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1ccccc1Cl 3219273 XSNWIEAJSPMSHU-UHFFFAOYSA-N 369.804 4.297 0 40 FIAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccccc1 3235689 AFYYTEFAVRMRLM-UHFFFAOYSA-N 372.380 4.290 0 40 FIAB CCc1ccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)cc1 3284875 DOYMBFQTWPLRDL-UHFFFAOYSA-N 367.474 4.150 0 40 FIAB Cc1c(CC(=O)NCC(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4089372 NMURAXREHXTGGM-UHFFFAOYSA-N 367.445 4.041 0 40 FIAB biogenic CCN(CC)CCN(C(=O)c1ccco1)c1nc2cc(C)cc(C)c2s1 4359500 JAMMRBIHJIQZQM-UHFFFAOYSA-N 371.506 4.495 0 40 FIAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 4596963 INLNMWZNOUPEAU-UHFFFAOYSA-N 353.422 4.394 0 40 FIAB CCSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5241570 XVBRLQZIVBNDHL-UHFFFAOYSA-N 374.531 4.480 0 40 FIAB C[S@@](=O)c1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 5377755 YBADXLBWTRYJIC-DEOSSOPVSA-N 352.337 4.160 0 40 FIAB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 5980538 GYCNMQGTEQMTNJ-LJQANCHMSA-N 367.424 4.216 0 40 FIAB C[C@@H](Sc1nnc(C2CCCCC2)o1)c1nc2ccccc2c(=O)[nH]1 6104058 QTPIAJVNXBBEJC-LLVKDONJSA-N 356.451 4.207 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 6353923 FLSMGQXMYZSTNU-UHFFFAOYSA-N 372.635 4.371 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 7669928 LONMZMCRWPFVHK-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC(F)F 7886271 AFCHGSGGZVNWEZ-GOSISDBHSA-N 374.387 4.416 0 40 FIAB O=C1Cc2cc(-c3csc(-c4cccc(F)c4)n3)cc3c2N1CCC3 8296690 OVYDFBAYVMMTBR-UHFFFAOYSA-N 350.418 4.452 0 40 FIAB Cc1cccc(OCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 8327699 NSGAIMSZJYZCFW-UHFFFAOYSA-N 367.445 4.074 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8405068 LLQIGJLIZKMPNB-CYBMUJFWSA-N 357.381 4.273 0 40 FIAB CSc1nc(NCc2ccccn2)c2c3c(sc2n1)COC(C)(C)C3 8657500 HORNJKWWAOBASK-UHFFFAOYSA-N 372.519 4.272 0 40 FIAB CSc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 8776390 DVIUBMDXEVROBX-UHFFFAOYSA-N 369.471 4.382 0 40 FIAB Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@H]2c1ccc2c(c1)OCO2 9483270 YBKJYQUTEHYHGJ-HNNXBMFYSA-N 361.401 4.341 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc2ncsc2c1 9616380 HYQXKTLBQBPFFN-UHFFFAOYSA-N 351.475 4.169 0 40 FIAB Cc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)c(C)s2)cc1 9640385 DRHGAWVMGUAJOW-UHFFFAOYSA-N 358.488 4.465 0 40 FIAB Cc1n[nH]c(-c2ccc(S(=O)(=O)Nc3ccccc3Cl)s2)c1C 9686844 NLUXVDIXUVWXBG-UHFFFAOYSA-N 367.883 4.209 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 10111059 IEFYAKXCGWKUCW-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2N1 10642374 MOYMDRDBEVTZEN-NSHDSACASA-N 368.742 4.423 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccc(F)cc3)c12 10642421 YVVUKTLCJWLKSW-UHFFFAOYSA-N 374.419 4.013 0 40 FIAB COc1ccc(OCC(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1 11027320 KWUQBGQYFWIMSV-UHFFFAOYSA-N 350.418 4.186 0 40 FIAB CCc1ccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11914629 JBUPTKGPKZBSJN-UHFFFAOYSA-N 364.420 4.395 0 40 FIAB CCn1/c(=N\C(=O)c2ccc(Br)cc2)sc2ccccc21 12180871 PKSLJTLDOGWJNL-FBMGVBCBSA-N 361.264 4.226 0 40 FIAB COc1ccc(OCCC(=O)OCc2nc(-c3ccccc3)oc2C)cc1 12469963 AHIJKCUTDMTBSY-UHFFFAOYSA-N 367.401 4.171 0 40 FIAB CCOc1ccc(N2C(=O)c3ccccc3NC23CCSCC3)cc1 12522878 OMYYZZBCVGCZBN-UHFFFAOYSA-N 354.475 4.381 0 40 FIAB CC(C)(C)c1cc(CCC(=O)NC[C@H]2CCCO2)cc(C(C)(C)C)c1O 12755201 JBNHKITUQCVCPV-MRXNPFEDSA-N 361.526 4.215 0 40 FIAB COc1ccc(CCCN(C)C(=O)c2cc3ccccc3o2)cc1OC 12887544 TVXIOQIMMFLNHD-UHFFFAOYSA-N 353.418 4.155 0 40 FIAB CSc1nsc(NC(=O)CCCOc2ccc(Cl)cc2C)n1 12906093 VOFNKDNZGLVTPL-UHFFFAOYSA-N 357.888 4.020 0 40 FIAB Cc1ccccc1NC(=S)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 13555852 OVFWTBVWPGDJMU-OAHLLOKOSA-N 350.491 4.448 0 40 FIAB Clc1ccc(-c2nn3c(-c4cccs4)nnc3s2)c(Cl)n1 13692892 LRCOPGKETRFBDW-UHFFFAOYSA-N 354.247 4.283 0 40 FIAB COc1ccc(CN(Cc2ccncc2)Cc2cccc(F)c2)cc1OC 13989916 YJDOEFXOIBZXOI-UHFFFAOYSA-N 366.436 4.440 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCCC1 14002869 XPWBNGNFJJRIBQ-SDNWHVSQSA-N 366.436 4.494 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 16281485 NETXLFOKCRWXMF-GOSISDBHSA-N 354.519 4.133 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl)C31CC1 16384614 JKXYAGKENRLCMT-IOQCUFBNSA-N 367.754 4.060 0 40 FIAB O=C(NCCc1ccc(F)cc1)c1cc(-c2cccnc2)nc2ccccc12 16640288 UCVHHRYLRUEMNC-UHFFFAOYSA-N 371.415 4.408 0 40 FIAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)C2CCCCC2)c1C 19558113 YRVCMOAPRSAYTN-SFHVURJKSA-N 370.497 4.326 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1Cl 20030012 NTQUXCWGHHSUIR-KRWDZBQOSA-N 365.882 4.095 0 40 FIAB O=C(NCc1ccncc1)c1ccc(OCCSc2ccccc2)cc1 20104331 SGVYEWKNZZLRET-UHFFFAOYSA-N 364.470 4.183 0 40 FIAB CC(C)(C)CC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22907699 KZJPSIHMQTVJHS-SFHVURJKSA-N 356.535 4.400 0 40 FIAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(Cl)c2c(c1)OCO2 23492598 BRIWBKHPUIIFNB-UHFFFAOYSA-N 371.742 4.060 0 40 FIAB O=C(c1ccccc1F)N1CCc2[nH]c3ccc(Br)cc3c2C1 25549070 QMVRMTUIHJNCCQ-UHFFFAOYSA-N 373.225 4.268 0 40 FIAB CC(C)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 25778604 CETRADSIHVJNPX-UHFFFAOYSA-N 350.506 4.087 0 40 FIAB COCc1cccc(C(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 31952464 PPZUZTQTKTURRY-LBPRGKRZSA-N 353.340 4.223 0 40 FIAB O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(OC(F)(F)F)c1 32073928 QESHFVUIHCSIBY-UHFFFAOYSA-N 352.287 4.318 0 40 FIAB CCOc1c(Cl)cc(C(=O)N[C@H]2CCOc3ccccc32)cc1OC 32722172 XCSCELNEWOQSLO-HNNXBMFYSA-N 361.825 4.001 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(-n2cccn2)cc1 32925616 SEQFPYSYROEBBA-UHFFFAOYSA-N 360.244 4.038 0 40 FIAB COc1cccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)c1 35324494 QEWOIKUFLAUZRI-HNNXBMFYSA-N 354.406 4.432 0 40 FIAB Cc1ccc(CC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 40106723 FLHKAMXOKHOZLZ-UHFFFAOYSA-N 358.441 4.106 0 40 FIAB Cc1cc(CN(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 46061688 VHQLYUJLFKXHJL-UHFFFAOYSA-N 366.261 4.293 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)no2)cc1OC 46086799 AXUHYSQKRWXPTH-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB O=C(NC1CC1)[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 57541940 MIMMOSWOHZGSQW-QGZVFWFLSA-N 367.251 4.242 0 40 FIAB CC(C)N(C(=O)CN(C)Cc1nc2ccccc2s1)c1ccccc1 58016933 KXERFIUNVNWRGH-UHFFFAOYSA-N 353.491 4.170 0 40 FIAB C[C@H](c1ccc(Cl)cc1)N(Cn1ncc2ccccc2c1=O)C1CC1 58158620 AXMJFHDLQGOTMB-CQSZACIVSA-N 353.853 4.233 0 40 FIAB Cc1nnc(SCc2c(C(=O)NCC(C)C)oc3ccccc23)s1 58289590 LYRJFOLKKCCMCS-UHFFFAOYSA-N 361.492 4.271 0 40 FIAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1cnc2ccccc2n1 58358197 KGDXEFHTEZVFEI-UHFFFAOYSA-N 361.424 4.228 0 40 FIAB Cn1ccnc1Sc1ccc(F)cc1NC(=O)CCOc1ccccc1 60336100 IEPVQYJUDYJSPQ-UHFFFAOYSA-N 371.437 4.118 0 40 FIAB O=C(NCc1ccc(F)cc1)N(CCc1ccccc1)Cc1ccccn1 62017981 RRCVVJWDZADCCC-UHFFFAOYSA-N 363.436 4.175 0 40 FIAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(Cl)cc3)n2)cc1 67898771 PYYLMNAJNPDIOB-IBGZPJMESA-N 371.843 4.443 0 40 FIAB biogenic,in-vitro CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2nc(C3CC3)cs2)C1 72277768 YQSIMYOFDMHYAC-CYBMUJFWSA-N 350.532 4.043 0 40 FIAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(C4CCCCC4)C3)n2)c1 72348539 XUFFMQBLEYUMFT-LJQANCHMSA-N 363.505 4.360 0 40 FIAB Cc1nc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)co1 72350448 WZPFALPGPJVTLW-INIZCTEOSA-N 365.408 4.204 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357798 CCCNFPDIJDMKFM-NRFANRHFSA-N 361.420 4.184 0 40 FIAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NC1CCOCC1 79023244 QDXUYYYMJUIRRC-UHFFFAOYSA-N 366.436 4.202 0 40 FIAB CCOc1ccc(C(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cc1OC 79102231 HCWORZMQXVLDKB-LBPRGKRZSA-N 361.388 4.132 0 40 FIAB CCc1nc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c[nH]1 89279890 JKOZZRHJFYEMEG-UHFFFAOYSA-N 364.430 4.207 0 40 FIAB CCOc1ccc(C2(CNC(=O)N3[C@@H](C)CCC[C@H]3C)CCOCC2)cc1 95984096 WMAJQVPUBUPXDR-HDICACEKSA-N 374.525 4.106 0 40 FIAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21 96053067 UOCZJOIBIRFCDS-LJQANCHMSA-N 354.538 4.176 0 40 FIAB Cc1cccc2s/c(=N/C(=O)c3ccccc3Br)n(C)c12 100878766 IOGLFMCCFQDWMD-FBMGVBCBSA-N 361.264 4.052 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCc1nc(-c3cccs3)no1)C2 102886286 LPKBZDAQWIZTFB-CFZJUORYSA-N 359.495 4.062 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccccc1C 219289730 MKWADVXRZCRPRC-YJBOKZPZSA-N 369.461 4.190 0 40 FIAB O=C(CCc1ccccc1Cl)NCCCN1CCCc2ccccc21 220021856 JWVFUIDGTJCOJK-UHFFFAOYSA-N 356.897 4.232 0 40 FIAB Cc1ccc(Cl)c(NS(=O)(=O)c2ccc(Br)cc2)c1 220314002 QLPVFSNTZNBSDA-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 222867000 VXXRNNSYSQRGBI-RTBURBONSA-N 369.461 4.271 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C 223843209 FUEOYMAFTMLWMU-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 223855541 OYZWEQRZPNOENA-UHFFFAOYSA-N 353.443 4.056 0 40 FIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1C 224274489 XJMLBTGNWIPXGB-WOJBJXKFSA-N 362.502 4.214 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NCC(C)C 224844179 LCDFWHKDDDBPOO-INIZCTEOSA-N 373.324 4.283 0 40 FIAB O=C(O)[C@H](Cc1cccc(Br)c1)Oc1ccc(Cl)cc1 225063103 FZVCCNGAORNDRN-AWEZNQCLSA-N 355.615 4.177 0 40 FIAB CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(OC)cc1 225618254 UCBIZOVCFQTLMX-KRWDZBQOSA-N 362.267 4.268 0 40 FIAB COC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCCC1 225628376 UXVYNQSIMRHZOJ-GOSISDBHSA-N 374.525 4.085 0 40 FIAB Cc1ccc(NC(=O)CCNC(=O)c2ccc3sc(Cl)nc3c2)cc1 225979220 BLAJCMQKIDGPDV-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 408657091 IKGCGGBTCZIAMW-IRXDYDNUSA-N 351.446 4.467 0 40 FIAB Cc1ccc(-c2cnc(CN3CC[C@@H](c4ccccc4)[C@@H](CO)C3)o2)cc1 510213005 NDGRXTBHIRVUOZ-RTWAWAEBSA-N 362.473 4.248 0 40 FIAB C[C@H](N[C@@H]1C[C@@H](N)c2ccccc21)[C@H](OC1CCOCC1)c1ccccc1 569211724 BQRFQWFUZOYPIR-PARPOCPVSA-N 366.505 4.046 0 40 FIAB C[C@H](N[C@@H]1C[C@@H](N)c2ccccc21)[C@@H](OC1CCOCC1)c1ccccc1 569211725 BQRFQWFUZOYPIR-RAKGIWIYSA-N 366.505 4.046 0 40 FIAB O=C(NCC[C@@H](CCO)c1cccs1)c1ccccc1C(F)(F)F 575604129 RBRGHYQWCFVOSI-LBPRGKRZSA-N 357.397 4.053 0 40 FIAB CCN(Cc1cn2ccc(Br)cc2n1)[C@@H](C)c1cccc(O)c1 579417000 WIPBMGJGGDAGAI-ZDUSSCGKSA-N 374.282 4.386 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 707850 CKERHCWQZTXFQK-NRFANRHFSA-N 374.396 4.195 0 40 FIAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc4ccccc34)CC2)C1 778781 SAPLWSNUXPSAOS-GOSISDBHSA-N 350.506 4.310 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)n2-c2ccc(C)cc2)cc1 925066 ODQUUFDHPVODBL-OAHLLOKOSA-N 366.490 4.312 0 40 FIAB CC1(C)[C@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC[C@@]1(C)C(=O)C2 1064034 SOUKUVDXRWCDMF-DLBZAZTESA-N 355.356 4.309 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 1343309 UCFDFLOSEBTPPO-QGZVFWFLSA-N 355.413 4.078 0 40 FIAB O=C(c1cccc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 2634954 KJKHXHQAPRAPOE-UHFFFAOYSA-N 350.849 4.456 0 40 FIAB Cc1ccccc1-n1c(-c2ccncc2)nn(CN2CCCCC2)c1=S 3223157 IDSDRVVYBSRZEY-UHFFFAOYSA-N 365.506 4.217 0 40 FIAB CCN(c1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1)C(C)C 3246320 POZAWRRMIVNCAA-UHFFFAOYSA-N 360.479 4.087 0 40 FIAB O=S(=O)(NC1CCCCCC1)c1cc(C(F)(F)F)ccc1Cl 3252102 YEBHBSOGSQAZSM-UHFFFAOYSA-N 355.809 4.360 0 40 FIAB O=C(COc1cccc(F)c1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 3615620 NBBRBRKVCYFAGJ-UHFFFAOYSA-N 368.335 4.180 0 40 FIAB CSc1nc2cc(NC(=S)NC(=O)c3ccccc3)ccc2s1 4058857 BEOLMTDELWBTNT-UHFFFAOYSA-N 359.501 4.145 0 40 FIAB Cc1cccc(NC(=O)c2c(N)n(CC(C)C)c3nc4ccccc4nc23)c1 5065983 AYEYKTJIQMBRPX-UHFFFAOYSA-N 373.460 4.383 0 40 FIAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc1c32 5153660 AUZBSDPCEMKFHA-NSHDSACASA-N 374.362 4.354 0 40 FIAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F 5381915 BQOXJHGYJGJOML-AWEZNQCLSA-N 368.408 4.200 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5557139 WVLYGPOXEUFRSD-IAGOWNOFSA-N 367.840 4.036 0 40 FIAB CCc1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)sc1C 5788947 WNJQLLWAJIHYBB-UHFFFAOYSA-N 358.415 4.091 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 5871316 FIMWFPANCHUYMA-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 6213342 NLDQZZNJHZBIFE-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1C 6226073 KJWJDOCOHDPWHI-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1nc2c(C)cc(C)cc2s1 6273828 SOMOWHQJLGONGN-UHFFFAOYSA-N 356.447 4.329 0 40 FIAB CN(C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21)c1ccccc1 6356990 USPZRIVHDWJPGL-UHFFFAOYSA-N 358.397 4.128 0 40 FIAB Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)n1 6608418 NZTXUKQMSAUOCE-IBGZPJMESA-N 367.493 4.081 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 6747690 OSIUXTCDHOZAPZ-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB CCOc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)cc1 6870360 KVTQLLGMYZIOKH-UHFFFAOYSA-N 372.465 4.407 0 40 FIAB COc1cc(C)c(N[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC 7057732 COEXPQSTKUSRRD-NSHDSACASA-N 366.820 4.244 0 40 FIAB O=C(COc1ccccc1F)Nc1nc(-c2cc(F)ccc2F)cs1 7723923 WIWQRBOONJRESV-UHFFFAOYSA-N 364.348 4.245 0 40 FIAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)C1CC1 8132175 IWZWONSTOBLFOU-CQSZACIVSA-N 351.475 4.188 0 40 FIAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2Cl)cs1 8852810 QVNSVKNLJXFJQK-UHFFFAOYSA-N 351.790 4.460 0 40 FIAB Cc1ccc(Cn2nc(-c3ccc(F)cc3)c3sc(C)nc3c2=O)cc1 8955546 UJGSCKWZIBDZFT-UHFFFAOYSA-N 365.433 4.324 0 40 FIAB O=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 9236012 WIAICLGZRXBREV-UHFFFAOYSA-N 357.715 4.189 0 40 FIAB CC(C)c1ccccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9319336 UOXXVJNYRZEHOJ-LJQANCHMSA-N 363.461 4.429 0 40 FIAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1C 9517154 FPNHEDGZXSDURN-JOCHJYFZSA-N 358.445 4.187 0 40 FIAB COc1ccc(-c2cc(-c3nc(-c4ccccc4C)no3)[nH]n2)c(OC)c1 10273311 SBFXPSYXXKRWSA-UHFFFAOYSA-N 362.389 4.119 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 10388992 GLOPCSDVTXVSEM-JTQLQIEISA-N 362.838 4.364 0 40 FIAB Cc1ccc(N[C@@H](C)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 11616059 ZIEIWJHCHNZGDY-HNNXBMFYSA-N 351.475 4.481 0 40 FIAB C[C@@H](Sc1nnnn1-c1ccccc1)c1nc2ccccc2n1C(F)F 12525523 LHCDWTUNLFRVPA-LLVKDONJSA-N 372.404 4.260 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2)s1)c1c[nH]nc1-c1ccccc1 12549741 BBOCNAWTDOVXQS-UHFFFAOYSA-N 360.442 4.376 0 40 FIAB Cc1cc(C)c2c(n1)sc1c(=O)n([C@H](C)C(=O)c3ccccc3)cnc12 12637526 YWYUSVZOMWOFBL-CYBMUJFWSA-N 363.442 4.067 0 40 FIAB O=C(NC[C@H]1CCCc2ccccc21)c1ccc(F)cc1Br 12941308 QZOGDQGZFNUPDR-CYBMUJFWSA-N 362.242 4.438 0 40 FIAB CCOc1cccc2s/c(=N/C(=O)c3ccc(OC(C)C)cc3)[nH]c12 13570772 PNZCMWFZBYVPDB-UHFFFAOYSA-N 356.447 4.156 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14024289 XYHHQXLZVNKMPK-GOSISDBHSA-N 354.450 4.011 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 14223765 LQRDANBDEDVHSJ-UHFFFAOYSA-N 353.443 4.091 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 14574835 QLGPCCKJHAFXMH-NSHDSACASA-N 350.340 4.155 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2C)cc1 15300705 ARXYRURWNPXBGV-QFIPXVFZSA-N 366.505 4.108 0 40 FIAB C[C@H](c1cccs1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 16273784 OQWGESPZSIKOIL-CYBMUJFWSA-N 354.431 4.427 0 40 FIAB CC(C)Oc1cccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c1 19450881 ZNMQAEWZCILUCZ-DNVJHFABSA-N 368.496 4.333 0 40 FIAB CCc1noc(CC)c1C(=O)Nc1nc(-c2ccccc2OC)cs1 19521343 NSNYEHFKKMJFMU-UHFFFAOYSA-N 357.435 4.184 0 40 FIAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 20140208 OMGWMLJUCBSUSS-UHFFFAOYSA-N 355.777 4.228 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)O)c(O)c1 20145382 TVQZCXRMCTYWCM-JXMROGBWSA-N 367.332 4.141 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2Br)c1 20431999 OPBNNAWBLHGVSD-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C)c1cc2ccccc2o1 22275790 UWWGUOGWOCTARW-YWZLYKJASA-N 370.493 4.331 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(C(=O)OCC(=O)C(C)(C)C)cc2)c1 24522442 HKEYGCGCYPEEBU-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2ccc(F)cc2s1 26222328 JPMOERXLKPSUEM-LLVKDONJSA-N 373.405 4.233 0 40 FIAB Fc1ccccc1Nc1nc(Nc2ccccc2F)nc(N2CCCC2)n1 27546242 QYXFCVFBDPTTNX-UHFFFAOYSA-N 368.391 4.237 0 40 FIAB Cc1ccc([C@@H](CNC(=O)Cc2ccccc2)N2CCCCCC2)cc1 27749521 UVLSPCFMXWQFCR-JOCHJYFZSA-N 350.506 4.271 0 40 FIAB CCCCc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)cc1 28224606 QQJNROLJYQHJOV-GFCCVEGCSA-N 350.260 4.188 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 30859296 WZRQSVKWXFBTAY-MRXNPFEDSA-N 374.440 4.373 0 40 FIAB COc1ccc(CCNc2ncnc3ccc(Br)cc23)cc1 32540950 WODFOLXTIFXFRH-UHFFFAOYSA-N 358.239 4.056 0 40 FIAB CCOc1ncccc1CNC(=O)N[C@H](c1ccccc1)c1cccs1 32803364 LSJPQONBGMUUNY-GOSISDBHSA-N 367.474 4.131 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1C 32976397 VLVAWNOHZPEKDQ-UHFFFAOYSA-N 356.491 4.174 0 40 FIAB N=C(NC(=O)c1cc(Cl)cnc1Cl)c1ccc(C(F)(F)F)cc1 33417084 KQHJQBTWWKVBNH-UHFFFAOYSA-N 362.138 4.163 0 40 FIAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 38833981 UCCAWRSQLHHKCG-MRXNPFEDSA-N 373.294 4.300 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 44848765 HSJXQDNAEGLBLP-LJQANCHMSA-N 355.434 4.195 0 40 FIAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(SC)cc3)n[nH]2)cc1 51315848 XFTDFSWULYNVAP-UHFFFAOYSA-N 367.474 4.127 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)c3cccc(Oc4ccccc4)c3)C2)n1 54661436 PFSQEIKEBZMGLJ-KRWDZBQOSA-N 363.417 4.190 0 40 FIAB O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccn(-c2ccc(F)cc2)n1 55545620 DMIZCWXACBQKND-UHFFFAOYSA-N 365.286 4.004 0 40 FIAB Cc1ccccc1SCC(=O)Nc1ccccc1NC1CCN(C)CC1 58312135 AVBSGJGGVIOIAH-UHFFFAOYSA-N 369.534 4.232 0 40 FIAB COc1ccc(Oc2ncccc2NC(=O)N2CCc3ccccc32)cc1 61553228 VSTAUOWPHCWVFH-UHFFFAOYSA-N 361.401 4.477 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3ccc(O)cc3)cc12 69394504 ZHYFFDOMSFHQJH-UHFFFAOYSA-N 357.479 4.040 0 40 FIAB COc1ccccc1CCC(=O)Nc1ccc2[nH]c(-c3ccncc3)nc2c1 71279504 ZYMKDSADAWOZCA-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB CCC[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccc(F)cc1F 79101707 ZJCDBKRFLCMILT-LBPRGKRZSA-N 371.313 4.375 0 40 FIAB C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)CC1(C)OCCO1 84637151 ZEIDXNRGQRFJJC-LLVKDONJSA-N 353.871 4.074 0 40 FIAB CCN(CC)P(=Nc1ccc(C)cc1)(c1nccn1C)N(CC)CC 89969011 WHVDJYMGLOJQOK-UHFFFAOYSA-N 361.474 4.400 0 40 FIAB CCSc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)OC)CC2 96096265 QMRDKDRCBATBCZ-UHFFFAOYSA-N 370.474 4.175 0 40 FIAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3)n2)s1 96296170 NHKRQJHWNNWPKD-HNNXBMFYSA-N 359.882 4.365 0 40 FIAB biogenic,in-vitro COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(F)cc32)cc1 96837287 GDZWFGGFEHHRAC-UHFFFAOYSA-N 363.367 4.407 0 40 FIAB C[C@H](SCc1ccc(Cl)nc1)c1nc(N)nc(Nc2ccccc2)n1 105623839 FOGSBBLHYUHJMQ-NSHDSACASA-N 372.885 4.240 0 40 FIAB CC(C)(C)OC(=O)N(CCC(=O)O)C(c1ccccc1)c1ccccc1 137809229 POFDIJALGJIKON-UHFFFAOYSA-N 355.434 4.488 0 40 FIAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O1 223658133 ICOBVLSPWMDELO-UHFFFAOYSA-N 351.855 4.244 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1 224591432 LNITZTMCMOHPGQ-GOSISDBHSA-N 368.546 4.221 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C)c3)o2)c(OC)c1 224866232 SPFXOEHSPIQFLO-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)cc3)nc2c1 226344465 DDYPCWZQOZAFQE-UHFFFAOYSA-N 363.186 4.308 0 40 FIAB O=C(NCc1cccnc1-c1cccnc1)c1cc(-c2ccc(F)cc2)c[nH]1 252538955 NLXCNWNFPMSZFG-UHFFFAOYSA-N 372.403 4.208 0 40 FIAB Cc1ccccc1N1CCC(N(CC(=O)O)Cc2cccc(Cl)c2)CC1 257253346 JYNKOOQUTNOLLM-UHFFFAOYSA-N 372.896 4.204 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1C1CC1 260786563 YGDNRYJJWHXYCS-ZNZDAUKMSA-N 352.507 4.424 0 40 FIAB O=C(O)c1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)o1 408557958 QYPGTHJDBDOYSF-UHFFFAOYSA-N 370.217 4.362 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)cc1 409095901 ISILHRGEUARPKW-UHFFFAOYSA-N 370.453 4.008 0 40 FIAB COc1ccc(C(=O)Sc2nc3cc4ccccc4cc3[nH]2)c(O)c1 409391732 KZBCXNUNGGCDNN-UHFFFAOYSA-N 350.399 4.363 0 40 FIAB Fc1ccc(CN(Cc2nc3cc(F)ccc3o2)C2CCOCC2)cc1 585082943 YNTOGBQDFVWXSX-UHFFFAOYSA-N 358.388 4.287 0 40 FIAB COc1cccc(C(=O)N2Cc3cccc(Cl)c3C2)c1OC(F)F 585083424 PETYSRQGIOYFBY-UHFFFAOYSA-N 353.752 4.106 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)N[C@H]1CCC12CCOCC2 585408681 MVIRLTCMLXOSDT-IBGZPJMESA-N 350.462 4.034 0 40 FIAB Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1 684942753 YAZDYESLCOZAPZ-QGZVFWFLSA-N 353.397 4.187 0 40 FIAB C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 1220846376 DKPQTLQWWVUFKP-KXBFYZLASA-N 371.525 4.439 0 40 FIAB O=C(CSCc1ccccc1)NC[C@H](O)c1cc(-c2ccco2)cs1 1888977241 GGIDXPZISPLXSY-INIZCTEOSA-N 373.499 4.091 0 40 FIAB Cc1cc(OCCCn2nc(C(=O)O)cc2C(C)C)cc(C)c1Cl 2037873699 IMQYGNARJMVUTG-UHFFFAOYSA-N 350.846 4.444 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 784652 YNJUECZWIGUITJ-UHFFFAOYSA-N 365.414 4.202 0 40 FIAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 819304 SMTJULKZAXWLGY-OAHLLOKOSA-N 368.443 4.176 0 40 FIAB CC1(C)C[C@]2(C[C@@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=O)N1 885497 USVAGCPQMZRPOS-MGPUTAFESA-N 372.852 4.138 0 40 FIAB Cc1ccc(C(=O)NC(=S)N(C)C2CCCCC2)cc1Br 1003893 NLFZFRWFDMWKHP-UHFFFAOYSA-N 369.328 4.037 0 40 FIAB Cc1ccccc1C(=O)Nc1c(-c2ccccn2)c(=O)c2ccccc2n1C 2206462 QYTVLCKXUDYSFG-UHFFFAOYSA-N 369.424 4.161 0 40 FIAB O=C(COc1ncnc2sccc12)Nc1cc(Cl)cc(Cl)c1 3296067 VWBQNDPGQRHTRN-UHFFFAOYSA-N 354.218 4.016 0 40 FIAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1cccc(Cl)c1 3428834 PFWRZRZQQPIHFN-UHFFFAOYSA-N 373.865 4.425 0 40 FIAB CC(C)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3531850 HSIKFUBEBWQDCJ-UHFFFAOYSA-N 368.506 4.008 0 40 FIAB O=C(CC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 3652838 FSHHRPYYOVIVLW-QFIPXVFZSA-N 371.436 4.001 0 40 FIAB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc1 4113559 AHUCDPRIRXLWBC-KSSFIOAISA-N 374.481 4.081 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4224422 FVMXFIIQDNLBBR-AWEZNQCLSA-N 365.458 4.025 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 4523496 ABCNPKYMKOBWTG-UHFFFAOYSA-N 374.868 4.164 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(F)cc1 4776872 FNZVDUKADRSOBO-UHFFFAOYSA-N 373.236 4.268 0 40 FIAB CCN(CC)CCSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5324524 DQPJZVRLFIUIIV-UHFFFAOYSA-N 371.550 4.429 0 40 FIAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c1 5567686 AYGNLQCDYIEEQN-UHFFFAOYSA-N 369.490 4.169 0 40 FIAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3sccc3C)C2=O)cc1 5751718 VZBGDCLTHQGTJE-OQLLNIDSSA-N 372.471 4.040 0 40 FIAB COc1ccccc1C(=O)NC(=O)CSc1c(Cl)cccc1Cl 6000329 CNUDTCLUPMDQJL-UHFFFAOYSA-N 370.257 4.051 0 40 FIAB Cc1c(C(=O)O[C@H]2CCCCC2=O)oc2ccc(Br)cc12 6085376 NAKSEFQWEOPJJJ-AWEZNQCLSA-N 351.196 4.172 0 40 FIAB CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 6295946 SJFQWNFVMXYKJC-UHFFFAOYSA-N 361.879 4.450 0 40 FIAB CCOc1cc(C(=S)N2CCCCC2)cc(Br)c1OCC 6350943 OBAKBJXUQKYIGL-UHFFFAOYSA-N 372.328 4.408 0 40 FIAB CC1=C(C(=S)Nc2ccccc2)[C@H](c2ccccc2)NC(=S)N1C 6515588 HHYYJPVIILJZNB-KRWDZBQOSA-N 353.516 4.261 0 40 FIAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)cc2)N3)C1 6732659 LIZSWEPDYOETHF-INIZCTEOSA-N 371.462 4.000 0 40 FIAB COc1cccc(NC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)c1 7533150 SSICZPOQXYMKQX-GOSISDBHSA-N 367.426 4.294 0 40 FIAB CCOc1ccc(CC(=O)Nc2nc3c(OC)ccc(C)c3s2)cc1 7614976 JHLCNWHAGQYOEQ-UHFFFAOYSA-N 356.447 4.193 0 40 FIAB COc1cccc(/C=C/C(=O)Nc2ccc3nc(C)sc3c2)c1OC 7670328 NAOUGIMKZXDMIM-JXMROGBWSA-N 354.431 4.274 0 40 FIAB O=C(COc1ccc(F)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 7890111 YRAPPRWEOAYPCD-LJQANCHMSA-N 359.397 4.311 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(C)C 8050793 QGYBQJYLKXUGQH-INIZCTEOSA-N 361.507 4.118 0 40 FIAB CCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 8128304 SULNXKVZJXULKV-UHFFFAOYSA-N 362.477 4.317 0 40 FIAB CCc1ccc(OCC(=O)Nc2cccc(OC)c2)c(Br)c1 8200324 SYAQJWGISROTNH-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB C[C@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 8305372 QNBGECXPYVFQND-YGOPWGPOSA-N 361.800 4.141 0 40 FIAB COc1ccc(Cc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 8738568 DYSJCIIJPYHURH-UHFFFAOYSA-N 374.853 4.435 0 40 FIAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(-c2ccccc2)cc1 8890601 OTTXUNPWZSOILY-XMMPIXPASA-N 368.436 4.247 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)Cc1csc(-c2ccsc2)n1 9114166 ICEMAWWJXFRLHI-LBPRGKRZSA-N 358.488 4.300 0 40 FIAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(OC)cc1 9427360 ZQSZFRXUDHYPEX-UHFFFAOYSA-N 364.445 4.178 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 11477149 IVCLNISDUGKUNX-OAHLLOKOSA-N 374.506 4.139 0 40 FIAB Cc1ccccc1OCC(=O)OCc1cc(-c2ccc(F)cc2F)on1 11613688 HDGVSGKKYDTTQG-UHFFFAOYSA-N 359.328 4.050 0 40 FIAB Fc1ccc(F)c(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c1 12322525 FXFLJXKQTITHIQ-UHFFFAOYSA-N 350.300 4.076 0 40 FIAB COc1cccc(NC(=O)[C@H](C)Nc2ccc(N3CCC(C)CC3)cc2)c1 12601601 OCTGDZBTCHAUJB-KRWDZBQOSA-N 367.493 4.371 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CC[C@@H]2CCCC[C@H]2C1 12770830 FRQSUNCSAMGREV-OALUTQOASA-N 374.488 4.132 0 40 FIAB CC(C)[C@@H](C)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12900809 HRNLEPXBWOLPAX-CYBMUJFWSA-N 355.463 4.143 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)c1 12977605 GQTDKFYAKCANFJ-IBGZPJMESA-N 357.500 4.433 0 40 FIAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)c1nnc(-c2cccs2)o1 14201364 FDCTVHIYNHJJHN-QMMMGPOBSA-N 361.477 4.498 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC[C@H](C)C3)cc12 16641976 PQCAFQHFQNYINV-LBPRGKRZSA-N 357.454 4.407 0 40 FIAB COc1ccccc1CCNC(=S)Nc1ccccc1C(F)(F)F 17073288 NNELEMZRWXODFO-UHFFFAOYSA-N 354.397 4.243 0 40 FIAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)n1ccnc1 19080511 FEJPHUMXWABNOY-CYBMUJFWSA-N 366.387 4.092 0 40 FIAB CC(C)CN1CCC([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 19447157 NGHQCZMLWWXFHD-NRFANRHFSA-N 369.484 4.060 0 40 FIAB CC(=O)c1ccccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 21843484 FBNFTPUKBSFLCP-UHFFFAOYSA-N 353.809 4.040 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc(Cn2ccnc2)c1 25177313 MEWVJMKHTSKCNA-UHFFFAOYSA-N 372.428 4.076 0 40 FIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1ccc(F)cc1 25538668 GJYNGOADFJMTNY-CDDKBXLESA-N 361.420 4.388 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c(OC)c1 27583528 YVVNAFCJCLBXFA-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB Cc1cccc(Cn2nc(C)c(NC(=O)c3c(F)cccc3F)c2C)c1 28247509 VTLPSJSDYSGBST-UHFFFAOYSA-N 355.388 4.387 0 40 FIAB C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 29328358 JHBBRFPFADGYCM-KSSFIOAISA-N 368.868 4.223 0 40 FIAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccccc1)O[C@H](C)C2 32756077 QPDBNAQHYFPUER-CQSZACIVSA-N 353.418 4.010 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3c(C)noc3n2)cc1 36614250 YPAWSOWWFLPQLB-CYBMUJFWSA-N 365.433 4.221 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 44014497 XNNKKVKOLJJGOC-CYBMUJFWSA-N 373.403 4.084 0 40 FIAB C[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 45413519 ISIFZWCETWYMOH-IFXJQAMLSA-N 351.446 4.463 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)c2ncnc3c2oc2ccccc23)c(C)c1 48237207 VTBIHXWKQHESPC-UHFFFAOYSA-N 374.444 4.376 0 40 FIAB COc1cc(CNCc2cccc(Cl)c2Cl)cc(OC)c1OC 48314410 ILJRDAJLAYJDSY-UHFFFAOYSA-N 356.249 4.309 0 40 FIAB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cc2cccc3ccccc23)C1 53102562 LZEFLGLTDLMPNI-GOSISDBHSA-N 371.527 4.091 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N3CCC[C@H]3C3CCCC3)cc2)n1 56034505 UJIUVFWNGRWBAC-SFHVURJKSA-N 371.506 4.465 0 40 FIAB CCCCc1noc(CNc2ccc(NC(C)=O)cc2C(F)(F)F)n1 58171357 HTRTXIYREGXBCR-UHFFFAOYSA-N 356.348 4.002 0 40 FIAB CC(C)(C)C(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 60208321 PXGKYYHFKMXPDX-SFHVURJKSA-N 364.474 4.415 0 40 FIAB Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 72349973 VCBQYTBLPPVWGT-NRFANRHFSA-N 360.505 4.094 0 40 FIAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc2cc(F)ccc2s1 84405120 WVVCHCHILFIAQM-ZDUSSCGKSA-N 372.440 4.436 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cccc(C(F)(F)F)c1 95385633 NXHXVJRWXYVBRN-AWEZNQCLSA-N 360.383 4.479 0 40 FIAB Cc1ccccc1-c1nc(C)c(CNC(=O)COc2ccccc2F)s1 96096712 ARXRXSRNEROJOD-UHFFFAOYSA-N 370.449 4.261 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2cccs2)C3)cc1 100425218 OUFFAGFIHVQTGR-OALUTQOASA-N 354.519 4.372 0 40 FIAB COc1ccc2[nH]c(SCC(=O)O[C@H]3C[C@H]4CC[C@@]3(C)C4(C)C)nc2c1 169680495 APCIDJUGXVOSGS-ADYAMRHXSA-N 374.506 4.422 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)N1CCS[C@H](c2ccco2)CC1 219364231 IPDLGMQUCOQVQX-HNNXBMFYSA-N 373.503 4.156 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 222982555 WWLKAMHJEGKTBI-FOIQADDNSA-N 371.477 4.301 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 224074436 CKFRAUDIXUDKOZ-MRXNPFEDSA-N 355.331 4.318 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224415124 CYSNIUPERKEXTG-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB O=C(Cc1cccc2ccccc12)NCc1ccnc(-c2cccnc2)c1 225640563 DLKUKLJOYVHLGS-UHFFFAOYSA-N 353.425 4.156 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 225804159 JJJSPYGHIVENIO-NRFANRHFSA-N 367.489 4.017 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)c1nc(S[C@H]3CCc4ccccc4C3=O)nnc12 245229911 IIGBRGNTEUXQLW-VFCRVFHLSA-N 365.502 4.336 0 40 FIAB Fc1ccccc1-c1noc(-c2cncnc2NCCc2cccs2)n1 252489837 KCBNWFAXCJDGPE-UHFFFAOYSA-N 367.409 4.049 0 40 FIAB Cn1c(SCC(=O)Nc2ccccc2C(F)F)nnc1-c1ccccc1 408542226 IJHRCSJVXONHQN-UHFFFAOYSA-N 374.416 4.151 0 40 FIAB O=C(NC1CCCCC1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674962 FLOXOSALWQWNJW-UHFFFAOYSA-N 364.420 4.377 0 40 FIAB Cc1ccc(-c2n[nH]cc2CN2CCCCC[C@H]2c2c(C)n[nH]c2C)o1 580679351 UELIZGILWZKBOD-KRWDZBQOSA-N 353.470 4.435 0 40 FIAB O=C(Nc1nnc(-c2ccc(OC(F)F)cc2)s1)c1ccc(F)cc1 1775975091 DLNSPCPGXFWIHR-UHFFFAOYSA-N 365.336 4.198 0 40 FIAB O=C(C1CCC(F)(F)CC1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1776001445 SXLHFQSJKQIMNJ-UHFFFAOYSA-N 359.420 4.123 0 40 FIAB C[C@H](NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1)c1ccco1 2037846454 YQZQGZOKVNACQR-AWEZNQCLSA-N 369.440 4.452 0 40 FIAB COc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC 667994 CTDUDYMNQRRDPY-FQEVSTJZSA-N 361.441 4.418 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(F)cc1 780911 GIXSHWSOHUJCQH-UHFFFAOYSA-N 359.451 4.050 0 40 FIAB CSC(Cc1ccc2c(c1)Sc1ccccc1O2)=[N+]1CCOCC1 1858294 QFGHVXPYRHVWJH-UHFFFAOYSA-N 358.508 4.290 0 40 FIAB Cc1cccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1 2323559 YBJJSOAKKXOWHR-UHFFFAOYSA-N 359.458 4.325 0 40 FIAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(F)cc1 2623625 KPEMMGPVSRCRIJ-UHFFFAOYSA-N 353.422 4.259 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Cl)C2=O)cc1 3173982 TXXOINUUHXLDQO-MHWRWJLKSA-N 374.849 4.455 0 40 FIAB COc1ccc2c(-c3ccccc3)cc(S[C@@H]3CCOC3=O)nc2c1 3297815 JMQGBIFEUSGCCS-GOSISDBHSA-N 351.427 4.318 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)c1c(-c2ccccc2)noc1C 3512873 BBODAJTWADTMHN-UHFFFAOYSA-N 365.385 4.218 0 40 FIAB CCOc1ccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)[C@H](C)CC)cc1 3895935 UDVMZKYLMJMMRB-VPWFFCTISA-N 374.525 4.381 0 40 FIAB COCCCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 4161571 HBTVDXISRCJDIJ-UHFFFAOYSA-N 374.893 4.379 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)[nH]c2c1 4252201 BWUQTKXWHLHMHP-SNVBAGLBSA-N 361.854 4.344 0 40 FIAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 4468419 FQYWPKOLYKNYCK-OAQYLSRUSA-N 364.832 4.460 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(F)cc2)o1 4496872 ROZLGFVJPGZLGR-UHFFFAOYSA-N 373.409 4.005 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 4648670 APHWRVSVSHOGEV-UHFFFAOYSA-N 361.869 4.347 0 40 FIAB Cc1csc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 5101429 MIHQVEZUFRMWEK-QLFDAEIZSA-N 350.553 4.265 0 40 FIAB Cc1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1Cl 5248993 SCQJPKANFDPBDT-UHFFFAOYSA-N 367.261 4.304 0 40 FIAB Cc1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 6352432 PQCCGDHTWUPXQW-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB COc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 6669401 GXPKUMKRGGNLFD-UHFFFAOYSA-N 367.336 4.191 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 6790686 VAADNNTVUNXQLB-UHFFFAOYSA-N 367.474 4.235 0 40 FIAB COc1c(Br)cc(Br)cc1CNC(C)(C)C 6882522 PMXBHSSZXAZQDW-UHFFFAOYSA-N 351.082 4.108 0 40 FIAB COc1ccc(C)cc1CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 7827270 CHRVINYUXKQVDU-HSZRJFAPSA-N 374.440 4.124 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(C)cc2)CC1=O 7928202 UBIOPRBYXOAGFM-SFHVURJKSA-N 350.462 4.111 0 40 FIAB Clc1ccc(-c2cnc(COn3nnc4ccc(Cl)cc43)o2)cc1 8223647 AEUFSHFWCRDUCI-UHFFFAOYSA-N 361.188 4.022 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 8782342 MTYMLRGPBNUDON-JKSUJKDBSA-N 366.461 4.200 0 40 FIAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccncc1 9514954 NIKWUUDUHSUGTC-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Cl)nc2ccccc12 9595709 RJUOOZLQCGMTBZ-UHFFFAOYSA-N 368.820 4.279 0 40 FIAB Cc1c(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)sc2ccccc12 9647806 OAOGQWDJNVOGKA-UHFFFAOYSA-N 370.474 4.037 0 40 FIAB Cc1c(F)cccc1NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 10129287 KAXFCGYMZNAFMB-SFHVURJKSA-N 358.413 4.024 0 40 FIAB CC[C@@H]1c2ccsc2CCN1Cc1ccc(OC)c(OCCOC)c1 12241225 QRVYKBPVWIKCML-QGZVFWFLSA-N 361.507 4.291 0 40 FIAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccccn4)sc3n2)cc1 12249846 BSXIBSSFOCIUGQ-UHFFFAOYSA-N 361.426 4.180 0 40 FIAB CN(C(=O)c1cccc2ncccc12)c1nc2c(s1)CCc1occc1-2 12326136 YJKXIGCNCNKZBR-UHFFFAOYSA-N 361.426 4.327 0 40 FIAB C[C@@H](CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 12602250 VEDLRBDBCUGPII-MGPUTAFESA-N 367.880 4.473 0 40 FIAB Cc1cccc(NC(=O)CNC(=O)c2cc(C3CC3)nc3ccccc23)c1C 12786941 LMQZCNDSSOZEIU-UHFFFAOYSA-N 373.456 4.098 0 40 FIAB O=C(NCC1(c2ccccc2)CC1)c1ccccc1C(=O)c1ccccc1 12862622 RTYDTNZDLLAEKG-UHFFFAOYSA-N 355.437 4.379 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(C)cc2)c1C 13648361 VEODSWQUKINQFK-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB CCn1nc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1C 13703295 YIYFXBLEJQPIOP-UHFFFAOYSA-N 355.250 4.380 0 40 FIAB CSc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 14158071 HUMIQSDLVGADIJ-HNNXBMFYSA-N 372.465 4.039 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14197434 IDZUSSSWQMMHTJ-KOLCDFICSA-N 352.312 4.145 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 16597823 ZQFOISXJYBGLNP-CYBMUJFWSA-N 362.351 4.005 0 40 FIAB COc1ccc([C@H]2NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1OC 16805899 HNUNNITTYQNNKC-VUZIPCMWSA-N 361.850 4.260 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)c3cccc(Br)c3)ccc21 17289112 YHQQYIXSNFUMSD-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB CC(C)Oc1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 19450614 CQVYZPLMZLCTPN-UHFFFAOYSA-N 350.466 4.125 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(Cn2cccn2)c1 19715092 MBUHWCUAAKVJOQ-UHFFFAOYSA-N 374.469 4.236 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)CSc1ccccc1 20151172 YBOHWCUHVZJXPS-UHFFFAOYSA-N 369.442 4.178 0 40 FIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 20450432 KAHXYNCYLOVYNM-HNNXBMFYSA-N 361.869 4.439 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 21807454 HGIIEQVDLOZSBV-FQEVSTJZSA-N 363.461 4.155 0 40 FIAB COc1ccc(CC(=O)Nc2ccccc2N2CCCCCC2)cc1OC 22829042 XJAGDCOXDUDTTM-UHFFFAOYSA-N 368.477 4.265 0 40 FIAB CCCOc1ccccc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1 22923789 DLPITSCVMBFRBO-UHFFFAOYSA-N 373.449 4.073 0 40 FIAB C(=C/c1ccccc1)\CN1CCN(Cc2cc(-c3ccccc3)no2)CC1 22932734 XZTWASIJFKJEGM-JXMROGBWSA-N 359.473 4.173 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 23685196 LSWWFEZFTRZLMH-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB CN(Cc1ccc(F)cc1F)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 25520104 HXNMCYYOJLJXIA-UHFFFAOYSA-N 361.779 4.281 0 40 FIAB Cc1ccc(SCc2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 26015831 WKRPFPGBGLVTBG-UHFFFAOYSA-N 373.478 4.208 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)n(C2CCCC2)n1 32611655 CVUMBSTYWSQCJA-UHFFFAOYSA-N 355.463 4.261 0 40 FIAB Fc1ccc(-c2cc3nc4c(c(NCc5cccnc5)n3n2)CCC4)cc1 35315172 BJLBLWVIKBXNSB-UHFFFAOYSA-N 359.408 4.031 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@H](c1ccccc1)c1ccccn1 36074577 ORCIKQULEUBRCJ-LJQANCHMSA-N 352.821 4.263 0 40 FIAB O=C(NCCOc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1 36742373 URQZTEJKBTYEAW-UHFFFAOYSA-N 364.426 4.365 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(Cn2ccnc2)cc1 38848680 RDMAOIPVNLJJAP-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB COc1cc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)cc(OC)c1OC 43170543 ULROCNPVUQHEQP-NSHDSACASA-N 364.829 4.249 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2)no1 43996549 XJDAHLXSBRDPTP-GFCCVEGCSA-N 373.865 4.187 0 40 FIAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1 44086952 DHJLOXJIXGLNBO-UHFFFAOYSA-N 356.422 4.334 0 40 FIAB O=C(c1cnc2ccccc2n1)N(Cc1c(F)cccc1Cl)C1CC1 45864903 DCSWKZBLRCNGMR-UHFFFAOYSA-N 355.800 4.227 0 40 FIAB CCc1ccc(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1 45890084 ZCFIUSWFHNRHHO-UHFFFAOYSA-N 355.463 4.075 0 40 FIAB Cc1ccc(-c2nc(CC(=O)Nc3nnc(-c4ccco4)s3)cs2)o1 48366830 GTQNYHWTWPSEQA-UHFFFAOYSA-N 372.431 4.004 0 40 FIAB C[C@H](NC(=O)N(C)Cc1ccco1)c1cccc(OCc2ccccn2)c1 56443779 JZPJXRTYERYMLG-INIZCTEOSA-N 365.433 4.156 0 40 FIAB CC(C)N(C)c1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1F 61621914 BCYIBDZTKWBWIH-UHFFFAOYSA-N 370.453 4.441 0 40 FIAB CNc1nc2c(s1)[C@H](c1ccc(OCC(C)C)c(OC)c1)CC(O)=N2 61717633 HATIUEJJNADYKV-LBPRGKRZSA-N 361.467 4.352 0 40 FIAB Cc1nccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 61787818 NBMKCOZIVQRUMT-OAQYLSRUSA-N 371.396 4.047 0 40 FIAB CC(C)(C)Cc1noc2ncc(C(=O)N3CC4C[C@H]5CC3C[C@@H](C4)C5)cc12 65924585 LKUMDBCOOOCLGH-KWOWKCNFSA-N 367.493 4.462 0 40 FIAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)c2cccnc2)n1 72357803 SOSFVFDNMWDIKA-OAQYLSRUSA-N 373.456 4.053 0 40 FIAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@]1(C)CC1(Cl)Cl 95389785 FYVWEOWRIOAZFO-HNNXBMFYSA-N 374.218 4.040 0 40 FIAB C[C@H](N[C@H](C)c1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1 95967698 QQPPVMUGNIJHLJ-CVEARBPZSA-N 359.464 4.128 0 40 FIAB C[C@H](NC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccon1 96004126 FWWBXTWXZQXEHX-ZDUSSCGKSA-N 354.435 4.245 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(Oc3ccnc4ccccc34)c2)c(=O)[nH]1 115125665 WUMWYMPFGZLSJB-UHFFFAOYSA-N 371.396 4.276 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccccc1Cl 218850501 ROQWRYNIUYXPPD-MRXNPFEDSA-N 359.853 4.446 0 40 FIAB CCCOc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 218983640 HFNTXPGDMHSWHG-UHFFFAOYSA-N 352.478 4.048 0 40 FIAB CC(C)Oc1ccccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584457 RVVSIUFNBHNXLG-KYNGSXCRSA-N 353.491 4.458 0 40 FIAB CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224716539 IPWMCLJMSKNGNW-UHFFFAOYSA-N 350.654 4.472 0 40 FIAB CCOc1ccc(C(=O)NCc2ccco2)cc1COCc1ccccc1 224745628 ASZPYYUPPJNNKN-UHFFFAOYSA-N 365.429 4.325 0 40 FIAB C[C@@H]1CCCN(CCCNC(=O)CCc2c(Cl)cccc2Cl)C1 225362041 KNDSQMMMLNPCJE-CQSZACIVSA-N 357.325 4.164 0 40 FIAB C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(Br)c1 225781618 KNZMMDOUQHLORL-LBPRGKRZSA-N 365.296 4.203 0 40 FIAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCC(C)CC2)cc1 408676894 OTBJFJXMIBFLMR-UHFFFAOYSA-N 360.457 4.356 0 40 FIAB CC1(C)CC[C@H](c2noc(C3(S(C)(=O)=O)CCCC3)n2)c2ccccc21 574863021 BPOXSJFEHGKPBX-HNNXBMFYSA-N 374.506 4.087 0 40 FIAB Fc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3cccnc3)C2)o1 585178865 UFTHPUQGIVJCAH-GOSISDBHSA-N 351.425 4.179 0 40 FIAB COCC1(C2CCC2)CN(C(=O)N[C@H](c2ccccc2Cl)C(C)C)C1 664134387 ZAJVVKXXEDMVDX-SFHVURJKSA-N 364.917 4.495 0 40 FIAB COc1cccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1 1203822470 RDTLTZMKPISFHW-XZOQPEGZSA-N 351.490 4.307 0 40 FIAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)C1(c2ccc(F)cc2)CC1 1775968863 XLSHJNIIRADZCC-MRXNPFEDSA-N 371.433 4.029 0 40 FIAB CC(=O)Nc1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 846060 TZXLPZHAIJPTJS-UHFFFAOYSA-N 355.202 4.182 0 40 FIAB COc1ccc(Cl)cc1-c1nnc(Nc2ccc(C(=O)O)cc2)s1 2207126 NAFOYEZWBFPHOE-UHFFFAOYSA-N 361.810 4.309 0 40 FIAB C/C=C/c1ccc(OCC(=O)OCC(=O)c2ccc(CC)cc2)c(OC)c1 2647173 ALJJRJCHPPZJCF-GQCTYLIASA-N 368.429 4.096 0 40 FIAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c(OC)c1 2915380 DFEGEERILWPTDS-IRXDYDNUSA-N 370.840 4.095 0 40 FIAB CCOC(=O)c1c(NC(=O)C(Cl)(Cl)Cl)sc2c1CCCC2 3153156 RVTCJPVZNWZLAQ-UHFFFAOYSA-N 370.685 4.112 0 40 FIAB O=C(COc1ccccc1)Nc1nc(-c2nc3ccccc3s2)cs1 4176330 YOMQINRVGQTOFZ-UHFFFAOYSA-N 367.455 4.437 0 40 FIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2s1 4275911 GBIIBNOFRIZKOG-UHFFFAOYSA-N 356.794 4.252 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ncccn2)CC1 4388548 SPEUPCBWEHYOSO-UHFFFAOYSA-N 374.444 4.124 0 40 FIAB Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc(C)c4)nc3C2)cc1 4777076 FOMRAFYYQGPXGX-SFHVURJKSA-N 371.440 4.258 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n(C2CCCC2)c1C 5089919 SRWGDLQVZNCCLF-UHFFFAOYSA-N 373.478 4.075 0 40 FIAB CCn1nnc2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)ccc21 5805256 WHJZPFVZVQZHHI-UHFFFAOYSA-N 350.205 4.115 0 40 FIAB CCC(=O)Nc1ccc(C2=NN=C(N[C@@H]3CCCC[C@@H]3C)SC2)cc1 5981393 DCNNMMRVBTWAFT-XJKSGUPXSA-N 358.511 4.010 0 40 FIAB Cn1c(SCC(=O)O)nnc1-c1sc2cc(Cl)ccc2c1Cl 6056878 DXDKTGZGXFFMID-UHFFFAOYSA-N 374.274 4.180 0 40 FIAB O=C1OCC[C@H]1Sc1nnc(-c2sc3ccccc3c2Cl)o1 6091450 BELQMXKXPOZMPE-SECBINFHSA-N 352.824 4.012 0 40 FIAB Cc1cc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)no1 6199563 SHFRCGYAWKWXEI-XDHOZWIPSA-N 373.412 4.240 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)cc1Cl 6661738 WMRQQJNCWCAVNK-UHFFFAOYSA-N 374.227 4.100 0 40 FIAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(CN2CCCC2)cc1 7443163 YLUJEXGWJSLLJP-IBGZPJMESA-N 369.534 4.120 0 40 FIAB Cc1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1Cl 7527217 STIIPHVFKZGVPH-UHFFFAOYSA-N 361.898 4.294 0 40 FIAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)c1 7608124 QSDVZKCZCISZJI-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)s1 7617174 WOPJEEOLWCCXMV-UHFFFAOYSA-N 356.476 4.020 0 40 FIAB O=C(NCCOc1ccccc1)c1cccnc1Sc1ccccc1 7777285 BMRMMVTWZZZGTB-UHFFFAOYSA-N 350.443 4.042 0 40 FIAB CCCNC(=O)N(Cc1nc(-c2cccc(C)c2)no1)C1CCCCC1 7781682 KIKDPUZLLOYEAI-UHFFFAOYSA-N 356.470 4.299 0 40 FIAB COc1cc(NC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1OC 8110519 VMROWCBDMRJXAO-UHFFFAOYSA-N 370.327 4.375 0 40 FIAB Cc1ccc(COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 8372946 VBKHVBSBDLXWAX-UHFFFAOYSA-N 371.392 4.153 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)c(C)c2)n1 8476988 AINZCDYFMWCGBC-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB COc1ccc(-n2nc(Nc3cccc(OC)c3)c3c2CCCC3=O)cc1 9422125 LYCVDRLLTFHWIT-UHFFFAOYSA-N 363.417 4.152 0 40 FIAB Cc1ccc(C)c(/N=c2\scc(-c3ccccc3)n2N2CCOCC2)c1 9707453 HMECLCOCIPGMOC-DQRAZIAOSA-N 365.502 4.034 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2NC1=O 9895802 HRROLOBTSCXHFC-SUMWQHHRSA-N 352.459 4.097 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(F)cc1F 10139682 QVJOEBPFNRDDFX-UHFFFAOYSA-N 369.415 4.264 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1ccc(OC)cc1)c1ccccc1Cl 11916189 YBQVWFOOICKUIV-LJQANCHMSA-N 360.885 4.162 0 40 FIAB biogenic Cc1cc(C)cc(OCC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c1 12506177 SWMZCDCRHSHACA-CQSZACIVSA-N 373.403 4.304 0 40 FIAB COC(=O)c1cc(Oc2ccnc3cc(Cl)ccc23)cc(C(=O)O)c1 12555357 COXVQGWTWCVAIP-UHFFFAOYSA-N 357.749 4.165 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)NCCN(C)c3ccccc3)ccc2c1 12612125 ZFWDABOORYHWCB-KRWDZBQOSA-N 362.473 4.205 0 40 FIAB CCOCc1cc(-c2csc(NC(=O)c3ccoc3)n2)ccc1OC 12621430 QXTZLXMPLZDMMT-UHFFFAOYSA-N 358.419 4.201 0 40 FIAB Cc1cccc(N2CCN(C(=O)CSc3ccccc3Cl)CC2)c1C 13073247 VKXAZLWIRBROSY-UHFFFAOYSA-N 374.937 4.398 0 40 FIAB COc1ccc(-c2n[nH]c(NC(=O)c3cc4cc(Cl)ccc4o3)n2)cc1 13628732 FVKOXRKARZOCBI-UHFFFAOYSA-N 368.780 4.132 0 40 FIAB CC(C)Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3F)o2)s1 14772534 NYLYNUMKPRAWNU-UHFFFAOYSA-N 374.441 4.102 0 40 FIAB COC(=O)c1c(NC(=S)Nc2cc(Cl)ccc2O)sc(C)c1C 17076028 KYTUZNKWKCYHGA-UHFFFAOYSA-N 370.883 4.319 0 40 FIAB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc3nccnc3c2)nc1 19215526 SPTOQUVFAHWZPY-OAQYLSRUSA-N 360.486 4.468 0 40 FIAB CCc1ncc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cn1 19523462 XLCBEMAZCYQAJK-MRXNPFEDSA-N 358.536 4.247 0 40 FIAB CC(=O)Nc1sc2c(c1[C@H](c1ccccc1)N1CCOCC1)CCCC2 20192230 HENWYWSAKFBRCR-FQEVSTJZSA-N 370.518 4.007 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3cccc(C)c3C)n2)c1 21168641 LQQXLYGFJNIDAY-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3)n2)cc1 21168703 QLNZJPWTXVZIQP-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)ccc1Cl 21806644 RFEATWHJNOTZGY-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB COCc1c(C(=O)N(C)CCOc2ccccc2)sc2cccc(F)c12 21922257 HJLHDSDGTYXQHV-UHFFFAOYSA-N 373.449 4.338 0 40 FIAB CCc1nc(COC(=O)c2ccccc2C(=O)c2ccccc2)cs1 22740641 OGZAHXKYEGXFKV-UHFFFAOYSA-N 351.427 4.294 0 40 FIAB CCN1CCC[C@H]1CNCc1cn(-c2ccccc2)nc1-c1cccs1 22787352 GJYRYMYEXGTHPJ-IBGZPJMESA-N 366.534 4.175 0 40 FIAB O=c1[nH]c(SC[C@H]2CCCO2)nc2scc(-c3ccc(F)cc3)c12 25255544 RZGASVMAPAEEPH-GFCCVEGCSA-N 362.451 4.062 0 40 FIAB O=C(Nc1ccccc1)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 25329470 WARUVUPLKRATRG-UHFFFAOYSA-N 364.474 4.345 0 40 FIAB Cc1ccc(-c2nc(CCNC(=O)COc3ccccc3C)cs2)cc1 27992242 CTNQABNCNNGJCS-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccccc3Br)oc2c1 27992744 PTBNELPMKQQWEN-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB CSc1ncc(Cl)c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 30682563 IVDVQJCYXHQFKW-VALILCMLSA-N 365.930 4.187 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCCc2cc(OC(F)(F)F)ccc21 32922931 IOMITBWDOXIQMO-UHFFFAOYSA-N 368.355 4.102 0 40 FIAB C[C@H](NC(=O)CN(C)[C@H](C)c1cccs1)c1ccc2c(c1)CCCC2 36430623 SMTBTVYMXHZIMT-JKSUJKDBSA-N 356.535 4.497 0 40 FIAB CCN(CC)c1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cn1 40142440 XBWNAOYWGLJKGW-UHFFFAOYSA-N 372.519 4.294 0 40 FIAB CCCc1sc(C(=O)NC2CCN(CCC)CC2)cc1Br 40488444 GPIJZUSLHWCHON-UHFFFAOYSA-N 373.360 4.067 0 40 FIAB CCCCOc1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2c1 41096849 CBBXFJHZTSOBQT-UHFFFAOYSA-N 361.507 4.439 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H]1c1ccsc1 46913149 FIIMRDHLOGTDIA-PMACEKPBSA-N 366.486 4.376 0 40 FIAB COc1cc(CCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc(OC)c1 48231967 KJGUYAJGMAKYLQ-LJQANCHMSA-N 357.494 4.231 0 40 FIAB CCCn1cc(C(=O)Nc2cccc(C(C)C)c2)c(=O)c2ccc(C)nc21 49002286 FRWNLIGXMASPRI-UHFFFAOYSA-N 363.461 4.491 0 40 FIAB CC(C)c1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)nn1C(C)(C)C 52667499 BGFSXKVEYPKNPA-QGZVFWFLSA-N 368.525 4.018 0 40 FIAB C[C@@H](NC(=O)CCc1ccco1)c1cccc(OCc2ccccn2)c1 55645253 YMIDUPPCBKAYOF-MRXNPFEDSA-N 350.418 4.064 0 40 FIAB COc1cccnc1NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 58433164 UNVGLLVVLLZGPL-LJQANCHMSA-N 372.428 4.036 0 40 FIAB CCCCN(CCCC)S(=O)(=O)c1cc(Cl)c(N)cc1Cl 59144045 IBZHBZLCFAAVDR-UHFFFAOYSA-N 353.315 4.167 0 40 FIAB O=C(CCc1ccc2ccccc2c1)Nc1cccc(-c2ccc(=O)[nH]n2)c1 61459204 FJQJDDBFWQVYCU-UHFFFAOYSA-N 369.424 4.161 0 40 FIAB Cc1nc(Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)oc1C 63414669 AREXEBUICXEDHC-UHFFFAOYSA-N 371.849 4.432 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1 71195097 JYGGKNKKGVWGSA-UHFFFAOYSA-N 351.406 4.050 0 40 FIAB Cc1ccccc1NC(=O)CCNC(=O)Cc1coc2c(C)c(C)ccc12 72427620 RGAXGZWLCQMMCG-UHFFFAOYSA-N 364.445 4.046 0 40 FIAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(O)=Nc1cccnc1O2 79487857 ZVULOLBQORXYOQ-UHFFFAOYSA-N 361.357 4.085 0 40 FIAB CN(C(=O)c1cc(Br)c[nH]1)[C@H](c1ccccc1)c1ccccn1 83843925 OIQIQELZOAPWHA-QGZVFWFLSA-N 370.250 4.034 0 40 FIAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(-n3cncn3)cc1)CC2 95947951 KMUUWVNSLATKSV-PTNGSMBKSA-N 368.396 4.001 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)Nc1cccc(CCc2ccccn2)c1 98064858 ZDVLZEZCMFQEIH-JQIJEIRASA-N 364.470 4.279 0 40 FIAB C[C@H](NC(=O)NCc1nc(-c2ccccc2Cl)no1)[C@H]1C[C@H]2CC[C@H]1C2 104255032 KBULHZYEUFTCIW-PWNZVWSESA-N 374.872 4.014 0 40 FIAB Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1 107754874 HGOCLKYASUDUKL-UHFFFAOYSA-N 361.323 4.332 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)C1 216104220 RIZLTNBPSMVXHG-HPRQGZMESA-N 361.489 4.417 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)cc1C 219511801 LRQNIHNHNPIHPU-INIZCTEOSA-N 361.482 4.259 0 40 FIAB COc1ccc(CCC(=O)NCCOc2ccc3ccccc3c2)cc1C 223642115 ISEAKYQVFYXZNH-UHFFFAOYSA-N 363.457 4.285 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3C[C@@H](C)C[C@H](C)C3)nc2)cc1 223944145 ZTTILEZLFCWUCG-IRXDYDNUSA-N 368.550 4.359 0 40 FIAB Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1N1CCCC1=O 225305791 ZAJOLKZUBDOFNX-UHFFFAOYSA-N 373.909 4.262 0 40 FIAB COC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1 226319211 CVSYXDIRGDYXJA-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB Cc1cc(N2CCC(CNC(=O)c3cc4ccccc4s3)CC2)ccn1 245015273 LTQBAOFDPXCVDQ-UHFFFAOYSA-N 365.502 4.251 0 40 FIAB COc1ccc(CN(Cc2cccnc2)C(=O)[C@@H]2C[C@H]3C=C[C@H]2C32CC2)cc1 247867230 BGAJTNMGXOAOJA-CEMLEFRQSA-N 374.484 4.221 0 40 FIAB Fc1ccccc1Cc1cnc([C@@H]2CCCN(CC3CCOCC3)C2)o1 257341293 ZJTDVGPWDZESAK-GOSISDBHSA-N 358.457 4.011 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2CCC[C@H](C)C2)c1 260747050 ZSRULTRFQGDXPX-RBUKOAKNSA-N 360.542 4.124 0 40 FIAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408702267 MJPRGFIFBPSKAP-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB CCN1C(=O)N/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409239021 YOXRQGDAQUCHAB-XSFVSMFZSA-N 372.424 4.331 0 40 FIAB CCCN1C(=O)N/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 409241411 XKSVOUZAXPUDOX-DEDYPNTBSA-N 373.456 4.301 0 40 FIAB Cn1cc([C@@H]2CN(C(=O)c3cc4ccccc4s3)Cc3ccccc32)cn1 575621073 XLOILWHYXRRZMR-IBGZPJMESA-N 373.481 4.423 0 40 FIAB CCc1nc(Sc2nnc3ccccn23)c2c3c(sc2n1)CCCC3 710427 IXPOVZQJBUNKGT-UHFFFAOYSA-N 367.503 4.326 0 40 FIAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc12 1238152 LCXWHCDUEXDDPR-UHFFFAOYSA-N 364.836 4.288 0 40 FIAB CC(C)(C)c1nc(SCC(=O)NCc2ccccc2)c2ccccc2n1 1342476 NSSOBVBMRMMDGR-UHFFFAOYSA-N 365.502 4.336 0 40 FIAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 20502472 KAJNQKTWZFGKOA-VQFGERMISA-N 373.500 4.070 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 3448381 WFEAYJMFRTXVTR-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB Cc1cccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c1C 6867931 PGLFMDKBAJMSEP-UHFFFAOYSA-N 363.866 4.231 0 40 FIAB O=C(Nc1ccnn1Cc1cccs1)c1ccccc1Br 7793714 ZCTRIHHQWSRQCG-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1CCOc1ccc(Cl)cc1 2623855 TZRMZYAJSFIJDB-UHFFFAOYSA-N 352.139 4.253 0 40 FIAB Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCC2)c1 8414577 VVJNLAKURAREMR-UHFFFAOYSA-N 364.445 4.038 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 8959142 BTLFDVQLMSSYTD-UHFFFAOYSA-N 368.433 4.083 0 40 FIAB CC(C)(C)c1ccccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 11916665 JSDZHDNPWHORAT-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1ccn(COc2ccccc2Cl)n1 2786764 KTDVGDMCDIPTSM-UHFFFAOYSA-N 362.216 4.479 0 40 FIAB CCOc1ccccc1CNn1c(C)nnc1SCc1ccccc1F 623759 VKXAOBAWGKGGBZ-UHFFFAOYSA-N 372.469 4.160 0 40 FIAB CCc1sc(-c2nc3c4ccccc4ncn3n2)cc1Br 2806532 WOZDJCLCCODXIG-UHFFFAOYSA-N 359.252 4.331 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(F)cc1 729888 IBIMOQUUWNLAJM-UHFFFAOYSA-N 373.478 4.440 0 40 FIAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C)o1 23531969 VZGDVYUBXPBQAV-UHFFFAOYSA-N 369.248 4.386 0 40 FIAB COc1ccc(NC(C)=O)c(NC(=O)CCc2ccc(C(C)C)cc2)c1 56179846 RUWWDCBZZCADNG-UHFFFAOYSA-N 354.450 4.348 0 40 FIAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 1068694 VAVDUXIQBFEGGI-FQEVSTJZSA-N 360.461 4.195 0 40 FIAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 3176519 UCRVTNWPBCLYBO-KRWDZBQOSA-N 366.461 4.247 0 40 FIAB O[C@H](CNCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 16477492 UOBRZBZNIBUXSZ-JOCHJYFZSA-N 351.421 4.228 0 40 FIAB COc1c(C)cccc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20143049 KCWCUBFDUMGZOK-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB COCCN(Cc1ccco1)C(=O)c1nc(-c2ccc(Cl)cc2)oc1C 25097013 AKHNWNSOZNIZDM-UHFFFAOYSA-N 374.824 4.185 0 40 FIAB COc1ncc(C)cc1NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 174995388 RMJPXHPEQLQZFF-HNNXBMFYSA-N 368.462 4.377 0 40 FIAB COc1ccccc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997142 LNZNOBDRNPMQQL-UHFFFAOYSA-N 352.390 4.390 0 40 FIAB COC(=O)c1ccc(COC(=O)c2cc(SC)ccc2Cl)cc1 3250205 POYFHUIZECJEIA-UHFFFAOYSA-N 350.823 4.206 0 40 FIAB CC[C@H](Sc1nnc(SCC(N)=O)s1)c1ccc(Cl)cc1 58208947 JJFFTUDRFVPCIU-JTQLQIEISA-N 359.929 4.012 0 40 FIAB Cc1cccc(Cn2nccc2NC(=O)/C=C/c2c(F)cccc2F)c1 58415844 QZAWWXKJYOBJJA-CMDGGOBGSA-N 353.372 4.170 0 40 FIAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2cccnc2)cc1 2380047 VMSYAOFCEAMPBF-IBVKSMDESA-N 374.421 4.091 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12738707 NMORNXOPGSBDJY-KRWDZBQOSA-N 359.372 4.103 0 40 FIAB C[C@@H](NC(=O)CN1CCC[C@@H](C(F)(F)F)C1)c1ccc2ccccc2c1 12877332 ZWDXIWSFKJZMHE-RDTXWAMCSA-N 364.411 4.291 0 40 FIAB COc1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)cc1 12887227 VXRYIUPOXZJOKW-UHFFFAOYSA-N 362.832 4.091 0 40 FIAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1 8267751 OIIORKYMSOKIFS-UHFFFAOYSA-N 374.912 4.391 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 12942438 ZRQMLELWWLWDKN-FGZHOGPDSA-N 364.489 4.026 0 40 FIAB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccc(C2SCCS2)c1 69329334 QTPZTUBJOOKJQG-BBRMVZONSA-N 367.536 4.078 0 40 FIAB COc1ccc(-c2nn(C)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 17075561 VWWDMOLOBYZOFS-UHFFFAOYSA-N 368.433 4.097 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nncn1-c1ccccc1F 6129198 ZDSVKSDWJUMNEF-UHFFFAOYSA-N 371.437 4.300 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 14180678 HWHMWLJTSDSVOM-CYBMUJFWSA-N 358.463 4.156 0 40 FIAB CN(C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 6637043 LMHSGRDIHURZLU-UHFFFAOYSA-N 371.864 4.358 0 40 FIAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)NC3CCCCC3)c2n1 6792946 NBYQKNRHVXEUKO-UHFFFAOYSA-N 364.493 4.438 0 40 FIAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)c1ccc2c(c1)CCC2 4847033 FXSZIGHACAPQLZ-UHFFFAOYSA-N 350.748 4.147 0 40 FIAB O=c1c2ccsc2nc(SC[C@@H]2CCCCO2)n1-c1ccccc1 6907102 PWZDFXXYENRQGW-AWEZNQCLSA-N 358.488 4.108 0 40 FIAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 15415694 QJZVYADPCBBDRT-NSHDSACASA-N 371.790 4.176 0 40 FIAB O=C(CSc1ncnc2ccccc12)N(Cc1ccccc1F)C1CC1 7151778 GSQMWSZNLNCJHZ-UHFFFAOYSA-N 367.449 4.052 0 40 FIAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC(Cc2ccccc2)CC1 15511499 XGDDSDUGTSUIDZ-HXUWFJFHSA-N 355.865 4.125 0 40 FIAB CC(C)c1ccc(CNC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408707594 OXTMEPXRCYBCEN-UHFFFAOYSA-N 358.526 4.147 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2sc3ccccc3c2C)c1C 9314124 OOQIZNIHPNFEKQ-UHFFFAOYSA-N 369.442 4.397 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1F 9335948 HEZKJOXHCJMOMP-BLRBJFNZSA-N 369.827 4.132 0 40 FIAB CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)cc1 9495705 RRPOEJRAHRUTCJ-UHFFFAOYSA-N 368.820 4.458 0 40 FIAB COc1cc(NC(=O)c2ccc(C)c(C)c2)ccc1-c1ccc(CO)o1 20138788 OVLKKZGXNUDCOI-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)c3ccccc3C2=O)c1 96669502 OSLMIEBAULCXOA-KGENOOAVSA-N 355.393 4.428 0 40 FIAB CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)CCOC(C)C)cc1 72286726 KVUOIWJZIMUZEV-PMACEKPBSA-N 363.498 4.097 0 40 FIAB CCSc1ccc(C(=O)N(C)C2CCN(c3cccc(F)c3)CC2)cn1 72303193 NVLKQDOOIGGRNC-UHFFFAOYSA-N 373.497 4.074 0 40 FIAB O=C(Nc1ccccc1OC1CCCC1)[C@@H]1CC(c2ccccc2)=NO1 84525287 JUHOFVUDHSSDOB-FQEVSTJZSA-N 350.418 4.140 0 40 FIAB CC(C)CCOc1ccc(C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)cc1 79104858 HYCLGPNZENOKMN-WIYYLYMNSA-N 369.505 4.396 0 40 FIAB CCC[C@@](C)(CCCNC(=O)C[C@H](C)c1cccc(F)c1)C1OCCO1 75092492 DRDAFCAJWUAKMX-KKSFZXQISA-N 365.489 4.395 0 40 FIAB Cc1cc(C(=O)CCC(=O)OCc2ccc(-n3cccn3)cc2)c(C)s1 20960547 AKJUSZZKYFMLDJ-UHFFFAOYSA-N 368.458 4.257 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C 32585653 LTSVFMPZPSZODB-UHFFFAOYSA-N 359.369 4.213 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCN(C)c1ccccc1 223036066 XJFAGBUQCCKZJL-HXUWFJFHSA-N 374.912 4.449 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1C 226253023 AQNSSINCUFYNAQ-KRWDZBQOSA-N 367.493 4.282 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 224539045 WHEDYKOLVAIKIA-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB Cc1cccc(CSCCNC(=S)Nc2ccc(F)cc2F)c1 225337715 MFLJMBUBTZVBBH-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Cc3cccc(Cl)c3)s2)cc1 225768554 YSCSQFQRJKEDHG-UHFFFAOYSA-N 359.838 4.048 0 40 FIAB CC(C)c1ccccc1OCC(=O)NCCSCc1ccccc1F 222809253 ZVBSCNLTPSAROQ-UHFFFAOYSA-N 361.482 4.378 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc2ccccc2c1 223621448 XUCOUXHIGGIJEM-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 224553991 XMHHXZJHJJDAHS-QZTJIDSGSA-N 367.499 4.329 0 40 FIAB Cn1cc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c(C2CC2)n1 585085366 XDGUKZPCSNTBKX-GFCCVEGCSA-N 358.511 4.157 0 40 FIAB CCCCN(Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O 257285456 PHDBJEUNUJQNQZ-WXFUMESZSA-N 366.549 4.313 0 40 FIAB CO[C@H]1CCN(c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)C1 96122304 HUKQHIFEYYMETC-NRFANRHFSA-N 360.457 4.246 0 40 FIAB Cc1nnc(CN(C)C(=O)N[C@H](C)c2ccc(-c3ccc(F)cc3)cc2)o1 664569071 QISXZQWOQIYRBT-CYBMUJFWSA-N 368.412 4.087 0 40 FIAB O=C(Cc1ccc(Br)cc1)N1CCC[C@H]1c1ccsc1 46911704 SIEZMDRKFSYUAE-HNNXBMFYSA-N 350.281 4.417 0 40 FIAB COc1cccc(-c2nc(CNc3ccc(-n4nccn4)cc3)cs2)c1 55843880 MKQNBWONONXTGC-UHFFFAOYSA-N 363.446 4.012 0 40 FIAB O=C(Nc1ccnn1Cc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1C2 107568823 FIQHLHBSQNZFSH-YDHLFZDLSA-N 374.282 4.069 0 40 FIAB Cn1cc(Nc2cccc(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)c2)cn1 89756556 DDBMVDFVVVGYOL-LJQANCHMSA-N 366.852 4.234 0 40 FIAB O=C(c1ccc2nsnc2c1)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12181083 UIXUHVJDAMZMNA-ZXFUBFMLSA-N 367.449 4.381 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)C(C)(C)C)CC2)ncc1-c1ccncc1 19451534 FAWPCKSABLEWEH-UHFFFAOYSA-N 366.509 4.414 0 40 FIAB CN(C)c1cccc(C(=O)OCc2cc(Cl)ccc2OC(F)F)c1 3235408 KCHNFWJQRURFRX-UHFFFAOYSA-N 355.768 4.364 0 40 FIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1F 5146649 CISIAKNVAPFDHD-UHFFFAOYSA-N 351.406 4.383 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1F 15883107 ZAANLSSBULVQKZ-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccccc2)o1 15881523 WPUUITXQUUOWGL-UHFFFAOYSA-N 374.444 4.131 0 40 FIAB O=C(COc1ccc2ccccc2c1)NC[C@@H]1CCCN1c1ccccc1 207990350 QRSJBMLSYQMNRJ-NRFANRHFSA-N 360.457 4.004 0 40 FIAB CN(C)c1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cn1 40034433 HVQXONCDOJFRFU-UHFFFAOYSA-N 355.482 4.243 0 40 FIAB Cc1cc(NC(=O)[C@@H](SCCOc2ccccc2)c2ccccc2)no1 40012660 NZXLAUOSKLATOY-IBGZPJMESA-N 368.458 4.475 0 40 FIAB CCOC(=O)C[C@H](c1ccccc1)C1CCN(Cc2c(C)noc2C)CC1 40139321 IPCIYKAWWAXOQK-HXUWFJFHSA-N 370.493 4.240 0 40 FIAB CSc1ccc([C@@H](C)NC(=O)c2ccc(N3CCC(C)=N3)cc2)cc1 40133761 HRLPNMUCBPGCHN-OAHLLOKOSA-N 353.491 4.486 0 40 FIAB O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc2c(F)cccc2[nH]1 50796324 XYCHVDIAIUIPNB-UHFFFAOYSA-N 365.408 4.072 0 40 FIAB COc1ccc2oc(=O)c(-c3nnc(-c4cccc(Cl)c4)o3)cc2c1 846050 RYJUGPBPRLCSGV-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB CC(C)OC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 865289 VSUYDDFKJGKMLQ-JSGCOSHPSA-N 353.344 4.109 0 40 FIAB Cc1nc(NC(=O)CSc2ncnc3sc(C)c(C)c23)sc1C 928936 FHWPNOYEZFXIRB-UHFFFAOYSA-N 364.521 4.112 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)cc1 1101595 JGRPNBITEKGKEB-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCCN(C(=O)Cc1ccccc1)c1nnc(-c2cccc(F)c2)s1 1345481 JUPGFYRWVKSYRK-UHFFFAOYSA-N 355.438 4.330 0 40 FIAB CCCCn1cc([C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21 2138613 NHJUDGBZTSGBQZ-SFHVURJKSA-N 362.429 4.194 0 40 FIAB biogenic CC(C)Oc1ccc([C@@H](CCN2C(=O)CCC2=O)c2ccc(F)cc2)cc1 2452867 DUMVNXHERSMALB-FQEVSTJZSA-N 369.436 4.284 0 40 FIAB Cc1cccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 2502960 IVGKBHKJJDSOFT-OAQYLSRUSA-N 364.470 4.310 0 40 FIAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccnc1Cl 2539558 WEGJRMZXHHVWOE-UHFFFAOYSA-N 367.623 4.480 0 40 FIAB CCCCN(CCCC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1 3179504 ZLQXVBRFTUNKQF-UHFFFAOYSA-N 374.978 4.299 0 40 FIAB COC(=O)c1ccc(COC(=O)c2sc3cc(F)ccc3c2Cl)o1 3449026 ZDZULLBRNBOVCA-UHFFFAOYSA-N 368.769 4.430 0 40 FIAB COc1ccccc1NC(=O)CSc1ccc(Br)cc1 3524920 SKHZOVVKFYXVHT-UHFFFAOYSA-N 352.253 4.189 0 40 FIAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)=O)cc1OC 3606359 UGFZCIVCNLDBDJ-UHFFFAOYSA-N 355.434 4.040 0 40 FIAB CC(C)=CCc1c(O)c(C)c(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O 3974478 MWEMUFLDDBSWRI-KRWDZBQOSA-N 354.402 4.327 0 40 FIAB biogenic CC(C)N1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 4313784 GNQOSRWJXOUIFY-HSZRJFAPSA-N 365.473 4.200 0 40 FIAB COc1ccc(CNC(=O)CCCC(=O)Nc2ccc(C(C)C)cc2)cc1 4700837 RAOBICVNJJJPKH-UHFFFAOYSA-N 368.477 4.244 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 4715793 ZSVOYQDURQPHBO-UHFFFAOYSA-N 359.838 4.089 0 40 FIAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)N[C@H]1CCCc2ccccc21 4828514 YXEXDOUGOCZCFA-WFASDCNBSA-N 369.446 4.004 0 40 FIAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(CC)cc2)cc1 5215824 JBNQLXQBQVLYCG-UHFFFAOYSA-N 353.418 4.027 0 40 FIAB CCCc1nnc2c3ccccc3c(-c3ccc(C)c(NC(C)=O)c3)nn12 5321982 HKJAUQBKBVUEQS-UHFFFAOYSA-N 359.433 4.164 0 40 FIAB COC(=O)c1c(C)cccc1[C@H]1CN=N[C@]12Cc1ccc(C)c(C)c1C2=O 5539680 RKEMEWKNLCHNAP-VGOFRKELSA-N 362.429 4.126 0 40 FIAB O=C(OCCOc1ccccc1F)c1ccccc1C(=O)c1ccccc1 5655068 RTBSEAPYRUBZLP-UHFFFAOYSA-N 364.372 4.293 0 40 FIAB C[C@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O 6468104 BLNHOUZISGDHSQ-LLVKDONJSA-N 355.850 4.252 0 40 FIAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc(Cl)ccc1Cl 7108647 URHUOUKYEVRHGF-UHFFFAOYSA-N 364.228 4.130 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl 7406748 RHONVDYCKSXKDU-OAHLLOKOSA-N 366.248 4.040 0 40 FIAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 7490580 ZPBNPAUEHZTXNE-UHFFFAOYSA-N 370.452 4.410 0 40 FIAB Cc1nnc2c(NCCC(C)C)nc3ccc(C(=O)c4ccccc4)cc3n12 7504053 DBBHCIHYYIBXGF-UHFFFAOYSA-N 373.460 4.275 0 40 FIAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c1 7885041 HGIZYCBUAVKLOH-NRFANRHFSA-N 374.396 4.195 0 40 FIAB O=C(Nc1ccccn1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844048 SNOSEDVWQWBJRU-UHFFFAOYSA-N 368.396 4.164 0 40 FIAB CSc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 9063623 HEUWBUJXRKVSQM-UHFFFAOYSA-N 358.482 4.398 0 40 FIAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccn3)ccc2o1 9659978 JCYUULIJJZXFAG-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic COc1cccc([C@@H]2CCCN2CC(=O)Nc2cccc(SC)c2)c1 9902947 BZPZHOIDUQFLKF-IBGZPJMESA-N 356.491 4.193 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4cccc(OC)c4)nnc3s2)cc1 10311721 MSHMGCWMNJVYKO-DHZHZOJOSA-N 364.430 4.040 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(C)nc2c1cnn2C(C)C 10808838 XNJFZYICWHMNOK-UHFFFAOYSA-N 358.829 4.235 0 40 FIAB COc1ccc(NC(=O)Cc2csc(SCc3ccncc3)n2)cc1 11856111 VRRXTAXYDWEGQM-UHFFFAOYSA-N 371.487 4.020 0 40 FIAB C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)c1nc2ccccc2c(=O)[nH]1 12104841 WQZYZPQZNZOYOK-GFCCVEGCSA-N 369.494 4.017 0 40 FIAB COc1ccc(Nc2nnc(SCc3nccn3C(F)F)s2)cc1 12531672 VGTQVKQXIRXBFE-UHFFFAOYSA-N 369.422 4.174 0 40 FIAB COc1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1OC 12607159 DOAIREAIKRFSRW-UHFFFAOYSA-N 370.474 4.484 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)COc3cccc(C)c3C)o2)cs1 12618837 OERMCVAMRCVZBT-UHFFFAOYSA-N 356.447 4.024 0 40 FIAB O=C(c1c[nH]c(-c2ccnc(N3CCCC3)c2)c1)c1cc(Cl)ccc1O 12810139 WGYIGOHLPZHHNG-UHFFFAOYSA-N 367.836 4.267 0 40 FIAB Cc1ccc(-c2csc3ncn(C[C@@H](O)c4ccccc4)c(=O)c23)cc1 12922123 GEUADMXNFJJTAE-GOSISDBHSA-N 362.454 4.167 0 40 FIAB COc1cc(CN[C@@H](C)c2nnc3ccccn23)cc(Cl)c1OC(C)C 12940836 XUCWRYHCJYQXKJ-ZDUSSCGKSA-N 374.872 4.029 0 40 FIAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc2ncsc2c1 12997127 VQELTUAWEXDYEG-UHFFFAOYSA-N 365.458 4.175 0 40 FIAB O=C(Cc1cccc2ccccc12)Nc1cc(Cl)ccc1-n1cncn1 13141373 GWYYWSMNUDVNRR-UHFFFAOYSA-N 362.820 4.255 0 40 FIAB COc1ccc(-c2cc(C(=O)O)n3nc(C)c(-c4ccccc4)c3n2)cc1 13645121 OHNGQUFZOHRHIC-UHFFFAOYSA-N 359.385 4.079 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cc2NC1=O 15040462 JRCWUVJXJIODAQ-RYUDHWBXSA-N 366.442 4.357 0 40 FIAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H](c3ccco3)C2=O)cc1 15413031 QYVRNWIINSAFAT-OAQYLSRUSA-N 360.413 4.018 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)CCC(=O)c2ccc(Cl)s2)c1 15922632 YKLNFOKPDKJHJL-UHFFFAOYSA-N 365.838 4.098 0 40 FIAB O=C(NCC1(c2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl 16968880 GKULGURSTZMWPH-UHFFFAOYSA-N 364.272 4.472 0 40 FIAB Cc1ncsc1-c1nnc(C2CCN(Cc3ccccc3F)CC2)o1 19563208 DLABRZXMMLDSMA-UHFFFAOYSA-N 358.442 4.020 0 40 FIAB CN(C)C1CCC2(CC1)CN(C(=O)[C@@H]1CC=CCC1)Cc1ccccc1O2 19583970 ORXINVIVBLZODD-TWEIKEKHSA-N 368.521 4.007 0 40 FIAB O=C(CSCc1ccc(Br)cc1)NCc1cccs1 22558642 AJYIZRCQDPKZNC-UHFFFAOYSA-N 356.310 4.060 0 40 FIAB Cc1ccc(-c2noc(CS(=O)(=O)c3ccc(CC(C)C)cc3)n2)cc1 23125805 MAJQSSFOJCWNIJ-UHFFFAOYSA-N 370.474 4.217 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccccc3F)cc2c(=O)n1-c1ccccc1 23143745 KRHBMQCAIPVVEK-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB CCc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)sc1C 23717335 PKJCUVCIVPPQJB-JXMROGBWSA-N 354.519 4.090 0 40 FIAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)cn1 25314987 XJVJPIJKKWFECM-UHFFFAOYSA-N 363.147 4.251 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 28232860 KELIUVSKSWQBBV-OAHLLOKOSA-N 359.495 4.258 0 40 FIAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2cc(F)ccc2F)c(C)c1 29605490 DNGMDWKMGGPHTI-GFCCVEGCSA-N 364.417 4.411 0 40 FIAB CC(C)c1ccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32463193 HHBHTEVNOSPZKP-UHFFFAOYSA-N 366.505 4.101 0 40 FIAB CCc1ccc(C(=O)Nc2c(C)nn(Cc3cccc(OC)c3)c2C)cc1 32609757 DHHDMLWDWXDMCE-UHFFFAOYSA-N 363.461 4.372 0 40 FIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1noc2ccccc12 32747539 GLTZGTFXIKSHNZ-UHFFFAOYSA-N 363.339 4.094 0 40 FIAB CC(C)(C)c1noc(CCC(=O)Nc2ccc(OC3CCCC3)cc2)n1 33014028 RVVYNBHUALWSJR-UHFFFAOYSA-N 357.454 4.260 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314158 PTMWLTHWYQOOCG-GDBMZVCRSA-N 357.523 4.208 0 40 FIAB Cc1sc2nc3n(c(=O)c2c1C)C[C@@H](Sc1ccccc1)CS3 35682006 OVXJHIOUQVJOML-CYBMUJFWSA-N 360.529 4.341 0 40 FIAB CC(C)(CNC(=O)CCc1ccco1)c1ccc(Br)cc1 36391386 HKDWXADUALZBRO-UHFFFAOYSA-N 350.256 4.069 0 40 FIAB O=C(Cc1ccc(Cl)cc1)N1CCC(COCc2ccccc2)CC1 49028718 HHUBKRQKKMIRKP-UHFFFAOYSA-N 357.881 4.338 0 40 FIAB Cc1cc(C(=O)COC(=O)c2cc(F)c(F)c(F)c2F)c(C)n1C1CC1 51387483 NTPYGSIMKSUTGN-UHFFFAOYSA-N 369.314 4.036 0 40 FIAB CC(C)(C)c1nc(COC(=O)c2cccnc2Nc2cccc(F)c2)no1 51744656 JZJVGVNOLXFAGH-UHFFFAOYSA-N 370.384 4.002 0 40 FIAB Cc1ccccc1CS(=O)(=O)Cc1csc(COc2ccccc2)n1 52438881 VTQPNTVDLLRPBM-UHFFFAOYSA-N 373.499 4.146 0 40 FIAB Cc1ccc(-c2c(C)sc3nc(COCC(F)(F)F)[nH]c(=O)c23)cc1 55502955 XZCNGLLIRPPSDY-UHFFFAOYSA-N 368.380 4.347 0 40 FIAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 67296238 LGCYCSSCUMVQHR-GYHWCHFESA-N 371.396 4.321 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N1CCC(N(C)c2ccccc2)CC1 69947130 VPTFWWYWDJUXKO-UHFFFAOYSA-N 361.489 4.077 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@@H]2Nc2cc(C)nc(-c3ccccn3)n2)cc1 72307322 ULKIPKORGFDYQL-RXVVDRJESA-N 360.461 4.488 0 40 FIAB CCC[C@](C)(CCCNC(=O)C[C@@H](C)c1cccc(F)c1)C1OCCO1 75092491 DRDAFCAJWUAKMX-IIBYNOLFSA-N 365.489 4.395 0 40 FIAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cc1 96047258 RMGSVKKDRWMYIY-UHFFFAOYSA-N 355.551 4.330 0 40 FIAB Fc1cc(NCc2cc(-n3ccnc3)cs2)ccc1Br 97373038 MCNKEGYWACSJRQ-UHFFFAOYSA-N 352.232 4.448 0 40 FIAB Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2ccccc2)CC1 100744881 ZZSYENPUYWHRQB-HDICACEKSA-N 374.488 4.484 0 40 FIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 102888374 WHKWALOBTNYKKI-YHUYYLMFSA-N 354.475 4.021 0 40 FIAB CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219652151 BIVCHNKAYHCPTD-UHFFFAOYSA-N 367.474 4.429 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)OC 223007145 UIGNKONQYQQJDO-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 224132626 BEECDEOMWKEPTN-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 224858366 UTLFHBKNHQPADG-IRXDYDNUSA-N 371.849 4.211 0 40 FIAB Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)cc1Cl 225722885 ZCZLBLQXLDVPTO-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB CSc1ccccc1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225736776 BDJRXEOBJXDEJW-UHFFFAOYSA-N 358.850 4.016 0 40 FIAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1cc2ccccc2s1 244983773 IQSXALCXVROZHZ-LJQANCHMSA-N 369.467 4.222 0 40 FIAB Fc1ccccc1CN1CCO[C@H](c2cccc(Cc3ccccc3)n2)C1 257302949 SFCPIIFRFMWWTE-QHCPKHFHSA-N 362.448 4.385 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1CC 408561002 UESFNIDHISEEIZ-UHFFFAOYSA-N 360.527 4.495 0 40 FIAB Cc1cc(C)c2nc(NC(=S)NC(=O)/C=C/c3ccccc3)sc2c1 408628725 WMOKHOPZWVTGEU-CMDGGOBGSA-N 367.499 4.440 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 408707057 GOWHNSYHOOBPCV-WWDZGPRUSA-N 356.510 4.151 0 40 FIAB O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1nnc2ccccc2c1O 1540818614 YPQRMXFJHONMQF-IBGZPJMESA-N 361.445 4.387 0 40 FIAB COc1ccc(C(=O)COc2ccc3c(C)c(Cl)c(=O)oc3c2)cc1 641717 FGWAVUKGKMLTOA-UHFFFAOYSA-N 358.777 4.025 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 899793 PSEWBWZTUUGQLI-OAHLLOKOSA-N 366.490 4.063 0 40 FIAB CC(C)C[C@@H]1CC(=O)O[C@]1(C)C(=O)CSc1nc2ccccc2s1 1245876 FJRZRDBOYWONFI-XIKOKIGWSA-N 363.504 4.325 0 40 FIAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)NC1CCCCC1 2350269 RKALCNPDUTXZLX-UHFFFAOYSA-N 363.845 4.452 0 40 FIAB CCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1OC 2372371 JCTMZVSCCJLHPF-UHFFFAOYSA-N 371.487 4.195 0 40 FIAB CCOC(=O)c1cccc(C(=O)CCc2ccc(Br)cc2)c1 2516755 NQKFOPVKSJBNFE-UHFFFAOYSA-N 361.235 4.441 0 40 FIAB O=C(c1ccccc1Oc1ccccc1)N1CCn2c1nc1ccccc12 2634488 YMNLGDUGKLGTEI-UHFFFAOYSA-N 355.397 4.489 0 40 FIAB Cn1c(SCc2ccccc2Cl)nc2c([nH]c3ccccc32)c1=O 2720612 ZUVTVVWPNRQGMD-UHFFFAOYSA-N 355.850 4.361 0 40 FIAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(NCc2ccco2)s1 2956132 ZWXFBIBADXCIQM-UHFFFAOYSA-N 359.794 4.170 0 40 FIAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(Cl)cc1F 3231717 KBZKWQXQBGMGQF-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3cc2O)c(C)c1 3302569 PWNFZUNJRQDANO-UHFFFAOYSA-N 363.413 4.266 0 40 FIAB COc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1F 3611581 NHLXUXOKXDPFEF-RMKNXTFCSA-N 350.187 4.249 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109809 JKUJBBSWGASZSA-UHFFFAOYSA-N 373.444 4.165 0 40 FIAB O=C(c1c(F)cccc1F)N1CCN=C1SCc1ccccc1Cl 4120275 REOGUCYNMMLZAW-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)cc3)o2)cc1 4475302 BUGQYDCITFDZOX-GFCCVEGCSA-N 370.430 4.117 0 40 FIAB CCCC(=O)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)OCCO2 4723326 GLFACJINYVWGPM-UHFFFAOYSA-N 359.809 4.346 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 4979791 GAVPCCOHGFLQFR-XHBSWPGZSA-N 369.914 4.160 0 40 FIAB O=C(NC1=NCCS1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5171762 URBVGBFOCJENJH-UHFFFAOYSA-N 367.861 4.388 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)cc1C 5219695 NMVFRLGZMOPCBP-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)NCC1CCCCC1 5263585 YTSLWXQFEYIYGO-CQSZACIVSA-N 361.486 4.189 0 40 FIAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 5560192 CPDMTOWDMGAYJS-UHFFFAOYSA-N 364.489 4.357 0 40 FIAB O=C1OCC[C@@H]1Sc1nnc(-c2sc3ccccc3c2Cl)o1 6091460 BELQMXKXPOZMPE-VIFPVBQESA-N 352.824 4.012 0 40 FIAB Cc1ccc(S(=O)(=O)CC(=O)N(c2ccccc2)c2ccccc2)cc1 6233939 QORKENWDLIQQFY-UHFFFAOYSA-N 365.454 4.134 0 40 FIAB CCOc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1OCC 6259615 VUPGVDIKMMMBGX-UHFFFAOYSA-N 351.349 4.338 0 40 FIAB CSc1ncccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7718877 VRUHFAROKNICRM-UHFFFAOYSA-N 370.474 4.117 0 40 FIAB O=C(Cc1noc2ccccc12)OCCOc1c(Cl)cccc1Cl 7864887 UOCHWAQEIZHLIQ-UHFFFAOYSA-N 366.200 4.299 0 40 FIAB Cc1cc(C)c(NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c(C)c1 7927273 PAGABEWRNUBVCG-SFHVURJKSA-N 372.534 4.293 0 40 FIAB C[C@H]1CCc2c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)csc2C1 8395546 CENZCRJAIHRALX-JTQLQIEISA-N 374.531 4.164 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 8470103 KGAVXYFMSSDNAK-UHFFFAOYSA-N 374.396 4.198 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nnc1-c1ccoc1C 8728868 AZTVFMZSAOPLDL-LBPRGKRZSA-N 374.441 4.125 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1 8774522 DXGSGBDBJXLHJJ-AWEZNQCLSA-N 352.459 4.239 0 40 FIAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2c(C)cccc2C)o1 9204734 JMWZOYMFWREASJ-UHFFFAOYSA-N 353.418 4.406 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1Cc2cc(Cl)ccc2O1 9502118 DNPSXUKRLIJCBN-GOSISDBHSA-N 371.820 4.324 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(=O)N3CCCC3)c(N)c12 9577560 NSHDIGFEQKRSCP-UHFFFAOYSA-N 372.881 4.138 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCCCN2CCCCCC2)cc(C)c1Cl 10111316 VRPRECDNGSCJHY-QGZVFWFLSA-N 366.933 4.106 0 40 FIAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(c2c[nH]c3ccccc23)CC1 10140669 SDSFYMAKGVZEEV-OAHLLOKOSA-N 372.472 4.345 0 40 FIAB Clc1ccc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)cc1 10497567 VERLNAPWZCZMSA-UHFFFAOYSA-N 353.838 4.165 0 40 FIAB CC1(C)CC(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC(C)(C)N1 10812890 NWGVBLQTMORAIP-UHFFFAOYSA-N 353.510 4.086 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)O[C@H](C(N)=O)c2ccccc2)cc1 10901426 XAJCMLOEABPQGM-KRWDZBQOSA-N 351.427 4.107 0 40 FIAB O=S(=O)(NCC1(c2ccccc2)CC1)c1cc(Cl)ccc1Cl 11901489 IBIHMQVYHKDYKC-UHFFFAOYSA-N 356.274 4.004 0 40 FIAB Cc1nn(C)c2sc(C(=O)OCc3cccc(C(F)(F)F)c3)cc12 11968421 PCUYJMVZJHDBCX-UHFFFAOYSA-N 354.353 4.319 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 12137054 VTXKGPCRPJIMJW-UXHICEINSA-N 369.461 4.349 0 40 FIAB COc1cccc(CNc2ncc(-c3cc(C)no3)c(-c3ccco3)n2)c1 12184297 WOZKHLRGGXHOKM-UHFFFAOYSA-N 362.389 4.321 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl 12734899 KUSXQBPJDUQZQT-UHFFFAOYSA-N 354.740 4.152 0 40 FIAB COC(=O)c1ccc(F)c(NC(=O)CCSc2ccc(Cl)cc2)c1 12797211 KFFNBORGSOGDGY-UHFFFAOYSA-N 367.829 4.387 0 40 FIAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Cl)cc1Cl 13040572 MJDUIUHTOSKJRD-LLVKDONJSA-N 362.260 4.423 0 40 FIAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCCSc2ccccc21 14228449 YIESXKWJWCTKNO-UHFFFAOYSA-N 357.500 4.306 0 40 FIAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc2ccccc2c1 14233184 QZXQTUCCIRDARX-UHFFFAOYSA-N 355.459 4.059 0 40 FIAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3F)cc2C1=O 14493612 BZUXZMWDXDAJOR-UHFFFAOYSA-N 374.371 4.187 0 40 FIAB Cc1cc(COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)on1 14678436 LAYKMGCSBCQONT-UHFFFAOYSA-N 356.447 4.439 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1 14814470 DSWBSLNPYPNJST-UHFFFAOYSA-N 360.417 4.406 0 40 FIAB O=C1C[C@@H](c2cccc(OCc3ccccc3Cl)c2)c2cn[nH]c2N1 15083293 YXCWIIKPBVAYHP-HNNXBMFYSA-N 353.809 4.116 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N[C@H](C)c3ccccc3Cl)cc2NC1=O 16017364 LNNMOTFUKZTEJW-GHMZBOCLSA-N 360.866 4.264 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)CC 17248100 VWWGDJXMIAJRNL-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1cccc(C)c1 19235078 GFUACHWHTYAFKD-DNVJHFABSA-N 366.480 4.113 0 40 FIAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(F)cc1)C3 20393864 ILUMKTBIRUINHJ-UHFFFAOYSA-N 359.784 4.246 0 40 FIAB Brc1ccccc1-c1nnc(CN2CCc3ccccc3C2)o1 20962488 BAQFOIPLEKLTPG-UHFFFAOYSA-N 370.250 4.057 0 40 FIAB CCn1cc(C(=O)Nc2ccccc2SC)c(=O)c2cc(C)ccc21 22234711 CKEGGZWWZQNYJX-UHFFFAOYSA-N 352.459 4.304 0 40 FIAB CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1cn(C)c2ccccc12 23239828 SBWLNEJCHBKYSE-GOSISDBHSA-N 373.859 4.004 0 40 FIAB Cc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)o1 23495864 WPUXGABXUDACSO-UHFFFAOYSA-N 361.804 4.147 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1occc1-c1ccccc1 24598219 RHTRILTWISZRRY-UHFFFAOYSA-N 362.429 4.274 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc1OC 25013443 UUPMDQJLLANZKJ-UHFFFAOYSA-N 365.433 4.149 0 40 FIAB CCc1ccc2oc(C(=O)NCCc3ccc(OC)c(OC)c3)c(C)c2c1 28404709 IJLJIPNKNXRAEV-UHFFFAOYSA-N 367.445 4.293 0 40 FIAB C[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 28616986 AEZZNDPGNLRZDA-CYBMUJFWSA-N 367.880 4.306 0 40 FIAB CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCc2ccccc21 29258191 WJZUFSMOQQMTOR-LJQANCHMSA-N 372.509 4.170 0 40 FIAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 30750964 JERSZDJAJYEITC-LBPRGKRZSA-N 371.861 4.058 0 40 FIAB Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)cc12 30922406 FDCQZWANPONHFD-MRVPVSSYSA-N 350.205 4.329 0 40 FIAB Cc1cc(C)cc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 32578679 IWFGYXVKAKQBDO-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc(N2CCCCC2=O)cc1 32787551 SRAZJPLOHSMEGX-MRXNPFEDSA-N 366.461 4.012 0 40 FIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc2ccccc2s1 32819104 GFXGJDHAQDEQHE-SFHVURJKSA-N 350.487 4.468 0 40 FIAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cnc2ccccc2c1 33243225 VXVIWZFSPPBROC-UHFFFAOYSA-N 358.401 4.246 0 40 FIAB O=C(CSc1nc2cccnc2n1C1CCCCC1)N1CCCCC1 35290258 SZCNDKPUQYSBNL-UHFFFAOYSA-N 358.511 4.041 0 40 FIAB C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccco3)c2c(=O)[nH]1 40388453 IVTNJCQDXVVDOI-MYSGNRETSA-N 370.412 4.164 0 40 FIAB O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Cc2ncc[nH]2)CC1 40898450 QSLPZMYMMHGUKF-UHFFFAOYSA-N 363.436 4.311 0 40 FIAB in-vivo CC1=NN(c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2)CC1 48237968 IARBOQDFCWHYTQ-UHFFFAOYSA-N 354.479 4.250 0 40 FIAB O=C(O)[C@@H]1c2ccccc2C(=O)N(CCc2ccccc2)C12CCCCC2 49467028 JZSQOUYVEOSGQS-FQEVSTJZSA-N 363.457 4.256 0 40 FIAB FC(F)(F)c1nc(SCc2noc(C3CC3)n2)c2ccccc2n1 52890065 IBXNZXFXTHFAEX-UHFFFAOYSA-N 352.341 4.201 0 40 FIAB CCOC(=O)c1c(CSc2ccc(Cl)nn2)nc2ccccc2c1C 65750589 VDIOBTVDRDGNGZ-UHFFFAOYSA-N 373.865 4.456 0 40 FIAB O=C(C[S@@](=O)Cc1c(Cl)cccc1Cl)NC1CCCCCC1 69818544 GPBBELVYPJQABA-JOCHJYFZSA-N 362.322 4.081 0 40 FIAB CC[C@@H](NC(=O)NCCc1csc(C(C)C)n1)c1ccc(OC)cc1 72083173 WKNWMXJAABIBGS-QGZVFWFLSA-N 361.511 4.268 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCC(CSCc2ccco2)CC1 85472407 IBKBTSABAIFNOU-UHFFFAOYSA-N 351.418 4.343 0 40 FIAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccc(Cl)cc1 85474554 SXLNXAUZKMAXJT-MRXNPFEDSA-N 363.891 4.475 0 40 FIAB CCC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(CC)cc1 95945279 JYRSRVIHZBEEFD-HXUWFJFHSA-N 366.461 4.354 0 40 FIAB CC(C)(C)c1cc(C(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)[nH]n1 100166645 VODUYPXSDCRTJT-IAGOWNOFSA-N 355.457 4.397 0 40 FIAB Cc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3c3nccs3)cc2C)cc1 181423818 ZOLPQCASPRQUCW-GOSISDBHSA-N 366.490 4.313 0 40 FIAB COc1ccc([C@@H]2CCCCN(C(=O)c3cccc(N(C)C)c3)C2)cc1 208004051 NOOZWZIFTVUVIU-LJQANCHMSA-N 352.478 4.171 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCCN(C)c2ccccc2)cc1 222903317 QLFXFEISTIKKOD-NRFANRHFSA-N 354.494 4.049 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1C 223089892 JGQWNYDUTNUSME-RTBURBONSA-N 354.523 4.034 0 40 FIAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2ccnc2)cc1 225331488 IQECFSMADGERDI-UHFFFAOYSA-N 374.271 4.428 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccccc2)cc1 225579208 NUIWCVYTCRQENT-VKZJTJHYSA-N 374.440 4.236 0 40 FIAB COc1cccnc1NC(=S)NCCCSCc1ccccc1C 225602463 ZQICJXYQDXCNNH-UHFFFAOYSA-N 361.536 4.009 0 40 FIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2c3ccccc3C[C@H]2C)n1 225915976 RDWJIDFRSABQJU-MRXNPFEDSA-N 358.445 4.428 0 40 FIAB COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c2ccccc12 225924584 VHFKMTXAAAGFQO-UHFFFAOYSA-N 358.438 4.090 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc5ncccc45)OCC[C@@]31C2 257302936 SFBBHJADUHZGSL-YXINZFGNSA-N 364.489 4.253 0 40 FIAB O=C(Nc1ncc(C2CCNCC2)s1)c1cc2cc(F)ccc2s1 262165290 AHKUKJFNNHHLTQ-UHFFFAOYSA-N 361.467 4.216 0 40 FIAB COc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 302764829 BKBIVLNEKOITJR-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB COc1ccc(CSCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 408872502 FLOKFOCFVSKVMD-UHFFFAOYSA-N 369.530 4.410 0 40 FIAB CCC(C)(C)NC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 1999478 VDKMYSMWQCFYBQ-IBGZPJMESA-N 369.505 4.020 0 40 FIAB in-man [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1ccc2c(c1)OCO2 6530216 PQVOUNWMVAYNIK-UHFFFAOYSA-N 372.380 4.089 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1 32816145 RREUYYUAFGEDJM-UHFFFAOYSA-N 372.783 4.375 0 40 FIAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101031591 KIUKGXGVAMHICG-PMACEKPBSA-N 374.440 4.011 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 11913871 QJHVMNCKZMTTJO-UHFFFAOYSA-N 371.437 4.485 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 32970933 MFVSIJQPMSAJNY-CYBMUJFWSA-N 355.825 4.025 0 40 FIAB COc1ccc(-c2cc(O)n3nc(C)c(-c4ccc(OC)cc4)c3n2)cc1 102665545 YYBOYHLIHMDSFL-UHFFFAOYSA-N 361.401 4.095 0 40 FIAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2csc(C(C)(C)C)n2)cc1 52715197 OFLQVKXHFIBGDX-QGZVFWFLSA-N 373.522 4.052 0 40 FIAB Cc1ccccc1NC(=S)N1[C@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2 100427074 JXHJCSZNYGDEIX-IRXDYDNUSA-N 373.566 4.240 0 40 FIAB C[C@@H](Sc1nnc(N)s1)c1cccc(NC(=O)c2ccccc2)c1 53340602 YENMQOIHCVOCPI-LLVKDONJSA-N 356.476 4.226 0 40 FIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N(C)Cc3ccco3)c(C)c12 22621715 FABIRXJSXJVVDK-UHFFFAOYSA-N 357.479 4.471 0 40 FIAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 22766516 YWZOURDGZTUPMN-OAHLLOKOSA-N 361.363 4.332 0 40 FIAB Clc1ccc(CN2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc1 22931618 CGUJOWNNJLIHSQ-UHFFFAOYSA-N 367.880 4.313 0 40 FIAB Cc1cc2oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c2cc1C 24148104 VEBPWLUACARXNV-UHFFFAOYSA-N 362.473 4.316 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cc2coc3cc(C)ccc23)cc1 3279467 JTNLOCZTCDVJTH-OAHLLOKOSA-N 351.402 4.163 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 20459010 GAQUJNNNYYHQFL-IFXJQAMLSA-N 372.440 4.150 0 40 FIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCc1ccccc1 22245711 FIGOLKKRVXCJTG-UHFFFAOYSA-N 355.438 4.307 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccco1)CC2 3227871 TVLHQBUBPWDCMH-IBGZPJMESA-N 369.442 4.146 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1C 20143994 CPCYUCDSUIACJI-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB O=C(COC(=O)/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1 3266580 ALCCJJJVKCLWKO-CMDGGOBGSA-N 370.455 4.067 0 40 FIAB aggregator CCOC(=O)c1ccc(NC(=S)N2CCCC[C@H]2c2cccnc2)cc1 2091235 RGCGHJMMRRYERX-SFHVURJKSA-N 369.490 4.182 0 40 FIAB biogenic COc1ccc(Nc2nnc(SCC(=O)c3cccs3)s2)cc1 3222368 ZZVGEWQMXAAATF-UHFFFAOYSA-N 363.489 4.327 0 40 FIAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1cccs1 3297274 PTMIKQNYOJFYET-UHFFFAOYSA-N 367.426 4.014 0 40 FIAB O=C(Nc1nc(-c2ccccc2)ns1)c1ccccc1Br 27749022 KFRDZSRLEMLCBP-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCC(c2ccccc2)CC1 58406680 SHQSFLOLQXFCSD-UHFFFAOYSA-N 365.462 4.012 0 40 FIAB O=C(Nc1ccccc1NCC(F)(F)F)c1cc2ccccc2oc1=O 58417157 HLFKDRVYSNLDJN-UHFFFAOYSA-N 362.307 4.020 0 40 FIAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc2c(c1)CCC2 3360720 WGRCHCVKTZHHIE-NRFANRHFSA-N 364.489 4.267 0 40 FIAB O=C(CCc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 3323257 IDSCLXGSZHAPFU-KRWDZBQOSA-N 366.486 4.441 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3sccc3C)n2)cc1 3437948 SIOLDUYUJFYOHR-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)Sc2nncn2-c2ccccc2F)cc1 6129059 XDUNOCVIPBITOI-ZDUSSCGKSA-N 370.453 4.088 0 40 FIAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3)cc2)c1 6429322 MVEZROVHZBTVTM-UHFFFAOYSA-N 374.440 4.073 0 40 FIAB Cc1cc(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c(C)n1C1CC1 14126025 QDYUZLBTAXJGQV-UHFFFAOYSA-N 374.868 4.185 0 40 FIAB CC[C@H](C)[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 14226245 UYJAPWGSCOBTLR-TWOQFEAHSA-N 373.518 4.097 0 40 FIAB COc1ccc(OCCCC(=O)NCCSCc2cccc(C)c2)cc1 14400388 YITWBWMDPVVLIC-UHFFFAOYSA-N 373.518 4.212 0 40 FIAB CCN(Cc1ccccc1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 6910418 RDTRQCDLXBEZBD-UHFFFAOYSA-N 373.452 4.345 0 40 FIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1Cc2ccccc2O1 15588236 IGNRHXMQOKRYFB-MRXNPFEDSA-N 358.369 4.031 0 40 FIAB O=C(COc1ccc(F)c(F)c1)N[C@H](c1ccccc1)c1cccs1 7401602 HYFOTQJDQOVKMQ-LJQANCHMSA-N 359.397 4.311 0 40 FIAB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CC(F)(F)F)c1C 7783178 KPKLPYKEJCIVHV-UHFFFAOYSA-N 359.369 4.077 0 40 FIAB O=C(COc1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 7889143 JPZIQZVCTXDREF-UHFFFAOYSA-N 370.449 4.220 0 40 FIAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cc(Cl)ccc1N1CCCC1 7987003 ZZVBYNZAKJETTH-SFHVURJKSA-N 370.836 4.181 0 40 FIAB CC(C)(C)c1cc(NC(=O)CSc2nccn2-c2cccc(F)c2)on1 9115776 AMKLOOPUFWJRBQ-UHFFFAOYSA-N 374.441 4.028 0 40 FIAB CCOC(=O)c1cnc2ccccc2c1OCC(=O)c1ccc(Cl)cc1 19897591 GWKCQCFJJMTMQC-UHFFFAOYSA-N 369.804 4.327 0 40 FIAB CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C)c3ccccc32)c1 97015504 MXWAULSJAMUCJW-LBPRGKRZSA-N 363.866 4.245 0 40 FIAB Cc1cccc([C@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)c1 95946194 SJNXYVAXABQVBK-LJQANCHMSA-N 366.442 4.128 0 40 FIAB Cc1cccc(Oc2ncccc2NC(=O)N(C)C[C@@H]2CCCO2)c1C 89688766 NXGQMPXUYAQZIY-INIZCTEOSA-N 355.438 4.133 0 40 FIAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccc(F)cc1 409248943 MBHQMRPEBPPOLY-UHFFFAOYSA-N 372.465 4.005 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3n[nH]cc32)c1OCCc1ccccc1 31807977 PJCUPFZRSCHVQL-INIZCTEOSA-N 363.417 4.163 0 40 FIAB Cc1cccc(C)c1N1Cc2cc(Br)ccc2O[C@@H](C)C1=O 75165514 GMZKRQKFYCRYCR-ZDUSSCGKSA-N 360.251 4.380 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 33908986 GYURIOLETDXJJI-YBEGLDIGSA-N 374.849 4.455 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH]c(=S)c(C)c2)cc1 72218299 KRHLJXSJZVQPCT-KRWDZBQOSA-N 362.520 4.277 0 40 FIAB C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c2ccccc2C(=O)N1 558369547 ALDMCMABYWVRQR-NQERJWCQSA-N 370.452 4.108 0 40 FIAB Cn1ccnc1CN1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72350000 VUWPPAFDLYPENZ-KRWDZBQOSA-N 350.441 4.001 0 40 FIAB Cc1nc2sc([C@@H](c3ccc(F)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 35396230 CVLQERGHEUVADM-BFQNTYOBSA-N 374.485 4.011 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1cccc(F)c1 36620642 YLLPYNAMKXRALN-INIZCTEOSA-N 357.809 4.144 0 40 FIAB CC(C)Sc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 196079232 OHJMISSUPTXYNI-KUDNYVPYSA-N 370.499 4.108 0 40 FIAB O=C(COc1ccc(Cl)cc1)N1CCc2cc(Br)ccc21 222970139 GOYLRSLACPXWKV-UHFFFAOYSA-N 366.642 4.071 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 222795246 BIYGJBNFRSTFCQ-PMACEKPBSA-N 362.502 4.173 0 40 FIAB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccc(C)c1 49536367 ACZYKKMEYHDSIM-WBVHZDCISA-N 372.538 4.060 0 40 FIAB Cc1cc(NC(=S)NC2(C(C)C)CCCC2)ccc1N1CCCC1=O 225869686 RCUJPBVMCPDQPH-UHFFFAOYSA-N 359.539 4.377 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCCC1 225669125 WXPRUPRTMURQGM-QFIPXVFZSA-N 372.553 4.105 0 40 FIAB Cc1cccc(OCCNC(=O)CSCc2cccc(Cl)c2)c1C 223899608 GAGOZLGTSQMSMW-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB O=C(Cc1cccc2ccccc12)N1CC[C@H](N2CCc3ccccc3C2)C1 225687064 JPFCATXGIQOORL-QHCPKHFHSA-N 370.496 4.042 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C)n1 225874280 SNZIRZYZEUMGEN-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB COc1ccc(NC[C@@H](O)CN2c3ccccc3[C@@H]3CCCC[C@@H]32)cc1 229926463 XDAVWKLHIMQTGM-AGHHOFFYSA-N 352.478 4.014 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2ccnc3ccccc23)C1 257310535 UFMDHSDFJDKWJZ-HNNXBMFYSA-N 351.475 4.095 0 40 FIAB COc1c(C)cc([C@H](C)NC2CCN(Cc3ccccn3)CC2)cc1Cl 585081817 HSIXFPWKBKYARF-INIZCTEOSA-N 373.928 4.367 0 40 FIAB Cc1csc(CCCC(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)n1 1137340994 WSGHIQBOEQIYCM-UHFFFAOYSA-N 362.405 4.081 0 40 FIAB O=C(c1ccc(F)cc1F)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 674741019 VBZAGPJJKZYSMM-UHFFFAOYSA-N 355.306 4.298 0 40 FIAB COc1ccc(-c2cc(C(=O)NCc3cc(C)no3)c3ccccc3n2)cc1 109186937 GZHRVFVWBVKUCV-UHFFFAOYSA-N 373.412 4.137 0 40 FIAB O=C(NCc1cc(-c2ccco2)cs1)c1ccc(C(F)(F)F)nc1 1775967981 HZWANPRLPFHNQK-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB COc1cccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)c1 14607141 GEJRWGYLTXPGJX-UHFFFAOYSA-N 351.381 4.283 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2cc1OC 19931454 YSYUYKQUZXOBSI-UHFFFAOYSA-N 362.429 4.241 0 40 FIAB COc1ccc(-c2csc(NC(=O)/C=C/c3cccc(OC)c3)n2)cc1 6341645 KUTSKGKNCAUPAI-IZZDOVSWSA-N 366.442 4.479 0 40 FIAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1 6477770 HVXXEISCNMUMFE-SXGWCWSVSA-N 371.414 4.398 0 40 FIAB O=c1c(Br)c(SCc2ccccc2)cnn1-c1ccccc1 2577933 VACGMGHLUBCNLK-UHFFFAOYSA-N 373.275 4.287 0 40 FIAB COc1cc(CCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc(OC)c1 7116469 VSWUSSKECQHBRN-AWEZNQCLSA-N 353.418 4.260 0 40 FIAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NCc1cccs1 10846828 KRYMXSLBPCMUGP-NSHDSACASA-N 362.451 4.339 0 40 FIAB CN(CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCc2ccccc21 22474539 NFESBHPUDKZABY-NRFANRHFSA-N 362.473 4.072 0 40 FIAB O=C1C(Nc2ccccc2)=C[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 858704 QPKUMUWLIKCBAP-FQEVSTJZSA-N 370.408 4.499 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)c(C)c1 4496756 YFNKKPYLTPCBLM-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)c1ccccc1 5143371 YIFNTAPCZIFFRP-UHFFFAOYSA-N 372.453 4.304 0 40 FIAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 9134750 MOPHZVFMVMYBOD-UHFFFAOYSA-N 374.396 4.234 0 40 FIAB O=C(/C=C/c1ccccc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24560037 QRSUQQVGONGPEL-IBUXMESJSA-N 357.457 4.138 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)c1sc(-c2ccccc2Cl)nc1C)C(=O)O 40286504 XYMSZCDQECKGPX-RNCFNFMXSA-N 366.870 4.001 0 40 FIAB CCC(=O)Nc1cccc(NC(=O)c2cc3c(nc4sccn43)s2)c1 30879419 IUFSZBLLXNNJGJ-UHFFFAOYSA-N 370.459 4.211 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2N2CCCCCC2)c1C 31097037 GAQKFSYNMWRFBP-UHFFFAOYSA-N 353.466 4.467 0 40 FIAB Cc1cc(CN(C)c2ncnc3scc(-c4ccc(F)cc4)c23)no1 31653569 HEMLXRMRXICBHZ-UHFFFAOYSA-N 354.410 4.430 0 40 FIAB O=C1/C(=C/c2ccco2)N=C(N2CCCCC2)N1c1cccc(Cl)c1 640523 LNBKPBMRTLHESE-LGMDPLHJSA-N 355.825 4.163 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 792471 RZGBEFYKMKAXCG-UHFFFAOYSA-N 370.537 4.285 0 40 FIAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CC 1223662 KOOGRNGKPSIESK-UHFFFAOYSA-N 362.451 4.146 0 40 FIAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c1 3217612 NKDBMSQTGDRBGU-UHFFFAOYSA-N 373.408 4.352 0 40 FIAB CCOC(=O)c1c(NC(=S)NCCc2ccccc2)sc(C)c1C 3254824 MBQWTKXETXZHFF-UHFFFAOYSA-N 362.520 4.071 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 3432235 CFCUFNWTXOYEOD-OAHLLOKOSA-N 364.445 4.215 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)c1 3508406 XIHGDFYFFNQEFP-UHFFFAOYSA-N 372.515 4.204 0 40 FIAB Cc1cc2cc(CCNC(=O)c3ccc4ccccc4c3)c(=O)[nH]c2cc1C 4032759 AUQRFRSHQKSMCY-UHFFFAOYSA-N 370.452 4.271 0 40 FIAB Brc1cc2c(cc1CSc1nc3ccccc3[nH]1)OCO2 4960093 DFWPXHNPFHTDIA-UHFFFAOYSA-N 363.236 4.346 0 40 FIAB CCCC[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCCC1 4982294 KIYPMAWKCDBLJH-FQEVSTJZSA-N 371.477 4.013 0 40 FIAB CCOc1ccccc1CSc1nnc(-c2cc(OC)cc(OC)c2)o1 5435555 NYSWGEQYLLFRKN-UHFFFAOYSA-N 372.446 4.445 0 40 FIAB O=C(Nc1cccc2ccccc12)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O 5905154 KAZVDCKTQQACPO-SFHVURJKSA-N 368.820 4.311 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N(C)CCOc1ccc(Cl)cc1 5937502 IIRZJOFYZXMERQ-JKSUJKDBSA-N 372.896 4.017 0 40 FIAB CCN1C(=O)S/C(=C/c2ccccc2OCCOc2ccccc2)C1=O 6325832 XSSHCBINZDYESE-NBVRZTHBSA-N 369.442 4.201 0 40 FIAB C[C@H](CCCNC(=O)Nc1ccccc1)CNC(=O)Nc1ccccc1 6852791 CKTKZMDOIGPZNM-MRXNPFEDSA-N 354.454 4.046 0 40 FIAB CC(C)c1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 7009270 AOVDPGXWUKRLQT-HNRFISLBSA-N 363.504 4.120 0 40 FIAB Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccc(F)c(Cl)c1 7615896 SYOMRCLOMNDOBU-UHFFFAOYSA-N 373.750 4.224 0 40 FIAB Cc1cccc(Oc2ccc(NC(=O)c3ccccc3-n3cnnn3)cc2)c1 7757978 ZEMXHSREPOBERJ-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB COc1ccc(C)cc1CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 7827275 CHRVINYUXKQVDU-QHCPKHFHSA-N 374.440 4.124 0 40 FIAB Cc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 8206970 RASVTRRPKFDCJS-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB COc1ccc(-c2csc(C)n2)cc1CC(=O)N[C@@H](C)c1ccco1 8326309 UQNNBBXIMBPJJQ-LBPRGKRZSA-N 356.447 4.140 0 40 FIAB CCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1 8339418 MVGSQWOSRVALTN-UHFFFAOYSA-N 374.897 4.479 0 40 FIAB COc1ccc(CCNC(=O)c2ccccc2SC(C)C)cc1OC 8497307 CPHYWMUDMLGHHR-UHFFFAOYSA-N 359.491 4.177 0 40 FIAB O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1 8513638 PMXYSSZJPIWCHI-UHFFFAOYSA-N 363.383 4.006 0 40 FIAB in-vitro CCCOc1cccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)c1 8613226 CUFPPKQGAUNEED-FQEVSTJZSA-N 358.526 4.346 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 9064419 GMLVSPKTALWJJQ-OAHLLOKOSA-N 354.450 4.335 0 40 FIAB Cc1nc2cc(NC(=O)c3ccc(COCC(F)(F)F)cc3)ccc2o1 9709999 WBOIQMVBKOJQPY-UHFFFAOYSA-N 364.323 4.467 0 40 FIAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(F)cc1 10826652 NMURNKNFFVYFKY-UHFFFAOYSA-N 362.408 4.210 0 40 FIAB O=C(NCc1cccnc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 12147996 LHTWNKHCXZYDOL-UHFFFAOYSA-N 372.350 4.169 0 40 FIAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)CC2CCCC2)C1 12221085 JKDWCKDMDDGUTB-GOSISDBHSA-N 364.493 4.249 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)O 12312222 GZPWQYNLYYAAGZ-FMKPAKJESA-N 350.480 4.481 0 40 FIAB in-vitro COc1ccc(OC)c(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 12568254 KSDTUDMWSHHINI-CQSZACIVSA-N 362.426 4.202 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)c(C)c1 13669085 KNLJTNXNXOPBSW-UHFFFAOYSA-N 362.223 4.187 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O 13681866 SREVZIKDUNXMKH-UHFFFAOYSA-N 365.429 4.420 0 40 FIAB COc1ccc(-c2nnc(COc3ccc(C)c4c3C(=O)C[C@H]4C)o2)cc1 14373768 JEFRIYJVTSECLH-CYBMUJFWSA-N 364.401 4.323 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccco1 14399474 DYXBPXWGRPKSQV-HNNXBMFYSA-N 361.507 4.394 0 40 FIAB CCOc1ccccc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O 15010906 XJEZUHXOTQZDFO-JXAWBTAJSA-N 369.442 4.201 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)Cc1ccc(-c2ccccc2)cc1 15135767 IOFSOHGFPXDZGB-UHFFFAOYSA-N 369.468 4.371 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CSCc2ccc(F)cc2)c1 15322545 HBNOWOMVYQWMAG-UHFFFAOYSA-N 363.454 4.495 0 40 FIAB Cc1ccc(F)c(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 15542918 BUYLEWWBKINWIE-UHFFFAOYSA-N 364.214 4.498 0 40 FIAB COc1ccccc1-c1nc(N2CCCCC2)nc2c1C(=O)c1ccccc1-2 17076093 AWKZLLKJEAMSSC-UHFFFAOYSA-N 371.440 4.354 0 40 FIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccccc1F)C3 19519993 ZTXHEXKGUOYQAF-UHFFFAOYSA-N 352.365 4.287 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2cnc(Nc3ccc(C)cc3)nc2C1 20102236 OVHICGTVCWJALG-OAHLLOKOSA-N 359.429 4.450 0 40 FIAB Cc1n[nH]c(SCc2ccc(NC(=O)CSc3ccccc3)cc2)n1 20293588 MLROGAUSPRIURJ-UHFFFAOYSA-N 370.503 4.136 0 40 FIAB O=Cc1ccc(-c2ccc(I)cc2C(F)(F)F)o1 20436072 HUWNFYOSSRJESP-UHFFFAOYSA-N 366.076 4.383 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1C 20899430 LHIIDRTWRPRAMB-MRXNPFEDSA-N 365.433 4.376 0 40 FIAB Cc1ccc(N2C(=O)N(Cc3coc(-c4cccs4)n3)C(=O)[C@H]2C)cc1 21072478 UOCHRDAWWBDOPR-CYBMUJFWSA-N 367.430 4.069 0 40 FIAB COc1cc(CN(C)C(=O)c2c(C)oc(C)c2C)ccc1OC(F)F 24401065 PEQUIBBKPBFNAM-UHFFFAOYSA-N 353.365 4.087 0 40 FIAB COCc1cccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)c1 25335982 DDIGIINGAGJYAC-UHFFFAOYSA-N 364.401 4.038 0 40 FIAB C[C@H](NCCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 25546121 OQLPSYJNZRYLOQ-JQBCYXRUSA-N 370.581 4.404 0 40 FIAB NC(=O)c1cc(NC(=O)c2cc3c(s2)CCCCCC3)ccc1Cl 29340024 PBAOVMTYNBWAEZ-UHFFFAOYSA-N 362.882 4.412 0 40 FIAB CCCN(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C(=O)O)c1 32885593 KWUBOLLMHCUDGL-UHFFFAOYSA-N 371.502 4.365 0 40 FIAB Cc1cc(C)n(-c2cccc(NC(=O)Cc3c(F)cccc3Cl)c2)n1 32915509 YOVLMHWHDURDBX-UHFFFAOYSA-N 357.816 4.463 0 40 FIAB O=C(O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 37288176 UVLMVTQFCDSOSO-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 38752847 BCWBJXZIKLIVCW-MSOLQXFVSA-N 366.505 4.418 0 40 FIAB O=C(NOCc1ccccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 40068904 JBTNLAMDJXVURI-SFHVURJKSA-N 356.422 4.408 0 40 FIAB COc1ccc(COc2ccc(C(C)=O)cc2)c(Br)c1OC 48368546 ZTDFZHDQYLWUJE-UHFFFAOYSA-N 365.223 4.248 0 40 FIAB COC(=O)c1c(CN2CCC[C@@H](C(F)(F)F)C2)nc2ccccc2c1C 57332197 LJHRCDLWFFUUQL-CYBMUJFWSA-N 366.383 4.104 0 40 FIAB OC1CCN(c2ccccc2NCc2cc3ccccc3nc2Cl)CC1 59806862 DCWNCBAUEBMCGO-UHFFFAOYSA-N 367.880 4.461 0 40 FIAB CCOC(=O)c1nc(CN(C)c2ccc(Br)cc2C)cs1 64484133 XGCZPPMAYJWQNN-UHFFFAOYSA-N 369.284 4.027 0 40 FIAB C[C@H](COCC(F)(F)F)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 65358126 FOQBTTQVWOFURQ-GFCCVEGCSA-N 364.367 4.347 0 40 FIAB C[C@H](CC(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1)C1CC1 70022083 BRHKSKIQZPEIFJ-CYBMUJFWSA-N 373.447 4.497 0 40 FIAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 78848991 WTRNOIODTXUYNI-BFUOFWGJSA-N 355.482 4.334 0 40 FIAB CCC[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1ccc(F)cc1F 79101712 ZJCDBKRFLCMILT-GFCCVEGCSA-N 371.313 4.375 0 40 FIAB COC(=O)c1nc(-c2ccc(OC)c(OC)c2)sc1-c1ccccc1 95942019 ZHKKZQLNKFDOST-UHFFFAOYSA-N 355.415 4.281 0 40 FIAB CC1(C)CCCN(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)C1 95958902 OILKIRCATKKOEZ-UHFFFAOYSA-N 367.497 4.325 0 40 FIAB C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)cc1 95967697 QQPPVMUGNIJHLJ-HOTGVXAUSA-N 359.464 4.128 0 40 FIAB CN(c1ccccc1)c1ccc2ccc(C(=O)NCc3ccncc3)cn12 96146180 OLNWAYPNIHFTTK-UHFFFAOYSA-N 356.429 4.032 0 40 FIAB COc1ccc(C[C@H]2CCCN2C(=O)/C=C(\C)c2ccc(F)cc2)cc1 98055471 HENFSCOQQKPOAF-KETLNSEPSA-N 353.437 4.471 0 40 FIAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)NN(Cc1ccccc1)c1ccccc1 102230875 RJHLNVMBUUJFCV-CMKODMSKSA-N 351.519 4.261 0 40 FIAB COc1cc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)ccc1NC(=O)OC(C)(C)C 103395986 DUJSZOPUILEHPC-KCQAQPDRSA-N 358.438 4.193 0 40 FIAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718041 YMKIXNHLNWSIRV-CQSZACIVSA-N 372.852 4.120 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219610821 QCBZXBLDWIEJGW-KXBFYZLASA-N 361.869 4.390 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1ccccc1C(C)C 223789740 DIGAFBZNBNZNRP-FQEVSTJZSA-N 355.478 4.471 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225163647 RLOBTRAQNAGWID-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 225268751 QSBFILBTJWOVFM-CYBMUJFWSA-N 355.488 4.466 0 40 FIAB COCCC(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 257300993 RWMBRMZUPVJMLS-INIZCTEOSA-N 371.456 4.015 0 40 FIAB Cc1cc2occ(CC(=O)N3CC[C@@H](n4cccn4)C3)c2cc1C(C)C 329720058 DKJKDPGSIGBNCC-QGZVFWFLSA-N 351.450 4.077 0 40 FIAB Fc1ccccc1-c1nnc(N2CCCC3(CC3)C2)n1C[C@H]1CCCCO1 549657775 WXLYATMRDANVSX-MRXNPFEDSA-N 370.472 4.034 0 40 FIAB Fc1ccc(CN2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 585260855 MRDULJAXHBJNIU-INIZCTEOSA-N 369.415 4.256 0 40 FIAB c1cncc(CN2CCC(Cc3cccc(Nc4nccs4)n3)CC2)c1 585262516 CQWXGTVWJHGYDK-UHFFFAOYSA-N 365.506 4.131 0 40 FIAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccnn2CC(F)F)o1 684051201 RHKPSFFIKUIOLH-AWEZNQCLSA-N 351.397 4.061 0 40 FIAB CC(=O)N1CC2(CCN(C3CCCCC3)CC2)C[C@H]1Cc1ccccc1 1615153987 CIGOSZNEHNXOPX-JOCHJYFZSA-N 354.538 4.265 0 40 FIAB Cc1sc2nc(NCCc3c[nH]c4ccc(F)cc34)nc(O)c2c1C 1775971666 XVZUNVDLYGOKNC-UHFFFAOYSA-N 356.426 4.289 0 40 FIAB O=C(O)[C@@H]1CS[C@H](c2cccc(OCc3cccc4ccccc34)c2)N1 807727 BICVXOSZHYYWLZ-VQTJNVASSA-N 365.454 4.207 0 40 FIAB CC(=O)Nc1ccc(Nc2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1 813373 WZGZGDXGENBKFA-UHFFFAOYSA-N 367.430 4.437 0 40 FIAB CCOc1ccccc1C(=O)Nc1cc(C(=O)NCC(C)C)ccc1Cl 1006491 AXKCKBCAVDTSDT-UHFFFAOYSA-N 374.868 4.377 0 40 FIAB CCCCc1cc(=O)oc2cc(OC(=O)c3ccc(OC)cc3)ccc12 2091193 FPODBJSAJHHWPB-UHFFFAOYSA-N 352.386 4.363 0 40 FIAB biogenic O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(Cl)s1 2637600 GAEZTINYYXIYEU-UHFFFAOYSA-N 370.652 4.104 0 40 FIAB CCOC(=O)Cc1csc(SCC(=O)c2c(C)[nH]c3ccccc23)n1 3365022 OOCBJXPNZZURPG-UHFFFAOYSA-N 374.487 4.013 0 40 FIAB O=C(CCCNC(=O)c1ccc(Cl)cc1)N[C@H]1CCCc2ccccc21 3458076 MDUMLPRBASKKFN-IBGZPJMESA-N 370.880 4.044 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(oc(C(=O)OC(C)C)c3C)C2)cc1OC 4084239 XRWABBIJVLQRJA-AWEZNQCLSA-N 372.417 4.083 0 40 FIAB biogenic COc1ccc2oc(C(=O)OCC(=O)Nc3c(C)cccc3C)c(C)c2c1 4319200 VYMXTOSBGCZTEC-UHFFFAOYSA-N 367.401 4.162 0 40 FIAB Clc1ccccc1OCc1nn2c(Cc3ccccc3)nnc2s1 4664890 GGJFMDBBSNGLIY-UHFFFAOYSA-N 356.838 4.009 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(C)cc1 4816665 WRIPGDPXSJINSC-RBUKOAKNSA-N 366.852 4.327 0 40 FIAB O=c1c(Cl)c(Nc2cccc(O)c2)cnn1C12CC3CC(CC(C3)C1)C2 4909658 MAVXMUVOFZKBBF-UHFFFAOYSA-N 371.868 4.271 0 40 FIAB CCS(=O)(=O)c1ccc(NC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 4963665 LVBJWTWJPJEYHZ-BMGDILEWSA-N 367.511 4.490 0 40 FIAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3F)=NN12 5093575 QOYKGDXYXGESTA-FQEVSTJZSA-N 365.452 4.181 0 40 FIAB CCCCCn1c(CNC(=O)c2ccccc2OC)nc2ccccc21 5209328 QIYNKOQXQXQDNE-UHFFFAOYSA-N 351.450 4.165 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268835 GRVANHNZEDNYOB-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)NC1CCCCCC1 5391841 RDCRVIJCXRBAGW-UHFFFAOYSA-N 365.886 4.321 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5476318 MOCSPHSWORPUIA-GDBMZVCRSA-N 354.425 4.331 0 40 FIAB CCn1c(SCc2cccc(OC)c2)nnc1-c1ccccc1OC 6507951 KYGJJQHXXQBQKA-UHFFFAOYSA-N 355.463 4.275 0 40 FIAB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)(C)C)cc2)NC3=O)c1 6753318 DCAHDBODRHGVOV-SFHVURJKSA-N 361.445 4.216 0 40 FIAB COc1ccc(OC)c(N(CC(=O)c2cccs2)C2=NCCCCC2)c1 7275151 OEJBCPNSUPUHSB-UHFFFAOYSA-N 372.490 4.427 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 7781527 KHRNMXUCATWQLI-UHFFFAOYSA-N 351.402 4.330 0 40 FIAB Cc1cc(C)nc(SCC(=O)OCc2c(Cl)cccc2Cl)n1 7786819 WHVQZMWROVRSGE-UHFFFAOYSA-N 357.262 4.236 0 40 FIAB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)n1 8412922 NTODQZPPIAQHKK-UHFFFAOYSA-N 365.458 4.394 0 40 FIAB COc1cc(C)c(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc1OC 8710416 BXISSAIQMYXIKA-UHFFFAOYSA-N 350.418 4.364 0 40 FIAB CCc1cc2c(CSc3nc4ccccc4n3C)cc(=O)oc2cc1O 8808190 QXUJZXRCHBMOPE-UHFFFAOYSA-N 366.442 4.240 0 40 FIAB CC(=O)NCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 8937665 PHMIVGCAMUZHFA-UHFFFAOYSA-N 370.758 4.247 0 40 FIAB COc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 9205012 CHNYRQGQHJFECH-UHFFFAOYSA-N 369.392 4.035 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(COCC(F)(F)F)cc2)c1 9501068 DBTMGVUHZPXHHU-UHFFFAOYSA-N 369.339 4.035 0 40 FIAB CC[C@H](O)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)OCCO2 9972072 DFVBWGLEKOQUAT-HNNXBMFYSA-N 362.813 4.199 0 40 FIAB c1cncc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 10215110 SMWDGCVHHNVHMP-AVRDEDQJSA-N 371.396 4.053 0 40 FIAB COc1ccc2nc(NC(=O)CCC(=O)c3ccc(F)cc3)sc2c1 10815798 ZZDFTKJOFFFYCH-UHFFFAOYSA-N 358.394 4.046 0 40 FIAB Cc1ccc(CSCC(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 12541105 HNJARMCLIFIUOT-LJQANCHMSA-N 365.502 4.052 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)NCCSCc2ccccc2)cc1 12868420 CTCUGHCRKSRZDC-UHFFFAOYSA-N 371.502 4.098 0 40 FIAB CC(=O)c1ccccc1NC(=O)CSc1cc(C)c2ccccc2n1 12957171 ZIUUEMBCIZNHRC-UHFFFAOYSA-N 350.443 4.477 0 40 FIAB Cc1cccc(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 13671226 XTARWMPMDBXTBU-UHFFFAOYSA-N 372.317 4.354 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14004489 FXVGRAXPEGVULI-KRWDZBQOSA-N 366.461 4.109 0 40 FIAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccc(F)cc1F 14139658 JUOCCSPOLRJFQR-UHFFFAOYSA-N 368.786 4.360 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 14553093 GFCMPQRNUJVVHY-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB C/C(=C\c1ccccc1)CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 19014410 DHLFXZHUTAZWSO-RRXSNJIPSA-N 362.521 4.095 0 40 FIAB COc1cccc([C@H]2CN(Cc3ccccc3Cl)[C@@H]3CCCN[C@H]23)c1 19566485 SCTJZWIDANLLFJ-HMXCVIKNSA-N 356.897 4.069 0 40 FIAB Cc1ccc(CSCC(=O)NCc2ccccc2-n2ccnc2C)cc1 20038239 RJSVMSBMXHOXLF-UHFFFAOYSA-N 365.502 4.039 0 40 FIAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 20106121 FONAIIDOZSVWDS-UHFFFAOYSA-N 353.443 4.300 0 40 FIAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 20488186 CQVOCDVBOYVKKL-GFCCVEGCSA-N 358.290 4.482 0 40 FIAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccsc1 22400339 WMRSZDZTDVVKCT-UHFFFAOYSA-N 351.453 4.283 0 40 FIAB CCc1cccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)c1 23118937 XCYOWBOEVSAIDN-UHFFFAOYSA-N 361.445 4.013 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1coc(Br)c1 24456669 FQHNQAGSZLLDCU-AWEZNQCLSA-N 351.244 4.138 0 40 FIAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 24833606 QILQJTNYXORXDX-CVEARBPZSA-N 351.368 4.456 0 40 FIAB Brc1cc(CN[C@@H]2CCCc3ccccc32)cc2c1OCO2 25259672 YCWFQWMLWWSKPO-MRXNPFEDSA-N 360.251 4.345 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c1 27583522 KEQAODNGAOUPQB-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB C[C@@H](Oc1ccc(F)cc1F)C(=O)NCc1cccc(C(F)(F)F)c1 27975627 REHNAVSKYDZJBT-SNVBAGLBSA-N 359.294 4.067 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)Cc2coc3cc(C)c(C)cc23)cc1 30515143 YPCWVUQMUSHQIU-UHFFFAOYSA-N 365.429 4.037 0 40 FIAB Cc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 31422946 QWKFMGZUXNRPOF-FRFSOERESA-N 373.522 4.219 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)NC3CCCCCC3)co2)cc1 31424473 VKXQOOBNCHJBCE-UHFFFAOYSA-N 374.506 4.422 0 40 FIAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc2ccccc2[nH]1 33052930 TWZRKQJBCLJZFY-UHFFFAOYSA-N 368.458 4.137 0 40 FIAB Cc1nc(OCC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2n1 33287282 GTCHRVNXLMBPIB-UHFFFAOYSA-N 362.216 4.263 0 40 FIAB O=C(Cn1ccc2c(Cl)cccc21)Nc1ccc2c(c1)OCCCO2 36360555 PTFVCSYCXUPWKY-UHFFFAOYSA-N 356.809 4.095 0 40 FIAB CCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 39761206 FMMLHTDGCYPRRX-UHFFFAOYSA-N 366.446 4.196 0 40 FIAB COc1ccc2c(c1)N[C@@]1(C=C(C)Oc3c1c(C)nn3-c1ccccc1)O2 40545383 BDIVIDDHIHKIPF-NRFANRHFSA-N 361.401 4.143 0 40 FIAB CC(=O)Nc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1 48781326 QWRBGZLFXCJHRS-UHFFFAOYSA-N 365.477 4.064 0 40 FIAB CCN(C[C@@H]1CCCO1)C(=O)c1csc(-c2cccc(Cl)c2)n1 53429166 UAZSREMGQSFYBD-AWEZNQCLSA-N 350.871 4.105 0 40 FIAB Cc1nc(-c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)oc1C 54137324 ZICFNTSLDKKJRS-UHFFFAOYSA-N 360.369 4.317 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 59419034 LQDIPWWFJLDKKM-LDADJPATSA-N 368.458 4.500 0 40 FIAB O=C(NCc1coc(-c2ccccc2)n1)c1occc1COc1ccccc1 72295433 AGCRTEYBIWSGGI-UHFFFAOYSA-N 374.396 4.444 0 40 FIAB CNc1ncccc1CN1CCC(c2cncc(-c3ccccc3C)n2)CC1 72359808 DNISCAQKVWPLOF-UHFFFAOYSA-N 373.504 4.268 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2Cc2ccnn2C)n1 72372458 BJSAEERPPZMOHT-QFIPXVFZSA-N 364.468 4.191 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1nc2c(s1)CCC2 72406413 IIIZHZMXTCKJJV-UHFFFAOYSA-N 359.451 4.455 0 40 FIAB CCCCOc1ccc(NC(=O)NCC[C@H](O)c2cc(C)oc2C)cc1 85562140 QFWUUAVQSJRLGH-IBGZPJMESA-N 360.454 4.321 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1nc(-c2cccs2)no1 95482327 OLXSRXUNVOTSAW-CYBMUJFWSA-N 371.462 4.005 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2ncccc2Cl)CC1 96024829 UVGSGXAPECFQDD-UHFFFAOYSA-N 366.248 4.464 0 40 FIAB Cc1cc(NC(=O)c2nc3c(s2)CCCN3Cc2ccccc2)ccn1 96146840 NBMBLEUEHVWNAW-UHFFFAOYSA-N 364.474 4.052 0 40 FIAB C[C@@H](NC(=O)c1ccccc1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 96296834 UJOFPTVVRDCXEE-LLVKDONJSA-N 370.792 4.184 0 40 FIAB biogenic,in-vitro Cc1ccc2[nH]c(SCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)nc2c1 102167471 XXPPRNFIAQSSSD-VLIAUNLRSA-N 357.523 4.391 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC(c2ccncc2)CC1 191884022 JQQZQUQTWWNDIZ-UHFFFAOYSA-N 366.465 4.210 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccccc2F)c1 219067015 HPBCHDGOWTWSAD-MRXNPFEDSA-N 361.482 4.259 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)CC(C)(C)O2 219289602 JMZBSVWCGRKMCF-YJBOKZPZSA-N 369.461 4.190 0 40 FIAB CC[C@@H](NC(=O)COc1cccc(OC)c1)c1ccc2c(c1)CCCC2 223126436 CGSBUOYZXVGJJE-OAQYLSRUSA-N 353.462 4.220 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OCC)c(OCC)c2)c1 225064576 DYUINTGUKMNARI-UHFFFAOYSA-N 371.433 4.221 0 40 FIAB O=C(c1ccc2c(c1)CCCC2)N1CCN(C/C=C/c2ccccc2)CC1 225631238 HSRJSFYOEOTTPT-RMKNXTFCSA-N 360.501 4.037 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 225786545 SCKPIIRNRHGDRN-NSHDSACASA-N 368.861 4.242 0 40 FIAB CC(C)c1nc(Cc2ccc(NC(=O)c3cc(F)ccc3F)cc2)no1 226096841 XXDUMPAFBIOBNN-UHFFFAOYSA-N 357.360 4.314 0 40 FIAB Cc1ccc(NC(=O)c2ccnc(OCC3CCOCC3)c2)cc1Cl 239611933 FFNJCHDRRPKWMN-UHFFFAOYSA-N 360.841 4.101 0 40 FIAB CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@H]1C(=O)O 248288605 IEYXJQVIWCATHW-IYWMVGAKSA-N 352.430 4.228 0 40 FIAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 408628695 WCPMAISRCOMZOX-UHFFFAOYSA-N 363.801 4.120 0 40 FIAB CC(C)(C)OC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@@H]2[C@@]1(O)C(F)(F)F 409098275 KVLZVMXVRGYYFW-XMZIXOGTSA-N 364.408 4.306 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc3cc(OC)ccc3o2)c1 409185042 QKLDVSRQGFFZGR-UHFFFAOYSA-N 359.765 4.134 0 40 FIAB C[C@@H](O)c1ncc(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1 585084398 OQJAJSKKIVLACI-SNVBAGLBSA-N 368.384 4.013 0 40 FIAB CCC[C@]1(CO)CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 585085609 AKFRNGHZYRWCQX-QFIPXVFZSA-N 352.478 4.363 0 40 FIAB CC(C)[C@H]1N(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)CC12CCC2 615170243 ZEJQJSDYQMCJPW-OAHLLOKOSA-N 351.372 4.004 0 40 FIAB CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1 684760247 YINIGYPDLZZIBU-GOSISDBHSA-N 368.868 4.472 0 40 FIAB FC(F)(F)c1ccnc(N2CCC(COc3ccncc3Cl)CC2)c1 1889116258 CRNKSRLENIGMCM-UHFFFAOYSA-N 371.790 4.444 0 40 FIAB CC(C)Oc1ccc(CN2CCCc3cccc(n3)CCCOCC2)cc1 2037977999 GYJPIIHYIYYSLU-UHFFFAOYSA-N 368.521 4.266 0 40 FIAB CC(C)N(C)C[C@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)CO1 2055835459 LRYDNDQDFMJXEB-GOSISDBHSA-N 366.496 4.066 0 40 FIAB CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 2461027 BCTFQFBDKFQRSV-UHFFFAOYSA-N 351.474 4.266 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(-c3nccs3)cc2)cc1OC 7986499 QBAYXLXIXCGLEO-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB Cc1ccc(-c2noc(CS[C@H](C)C(=O)NCc3cccs3)n2)cc1 28908954 SRZLFSQOWHTKHF-CYBMUJFWSA-N 373.503 4.045 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1Br 943110 TUDYLYWMDOYFMS-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB C[C@@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1 2745926 DYWLDXJLEFDQAC-GFCCVEGCSA-N 358.854 4.040 0 40 FIAB COc1cc2c(cc1NC(=S)NC[C@H]1CCCO1)oc1ccccc12 6274923 FBEXGYWHXGRXTL-GFCCVEGCSA-N 356.447 4.060 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 7593835 URDZIJOCQGSNAP-LBPRGKRZSA-N 373.865 4.188 0 40 FIAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@]1(C)CC[C@@]2(C)OC(C)=O 104045876 IEWADZBTFLSQKS-CEMLEFRQSA-N 354.446 4.106 0 40 FIAB Cc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 102575512 PAJBLMNPLBXPTD-YCRPNKLZSA-N 372.428 4.357 0 40 FIAB Cc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4cccnc4)C3=C(O)C2)cc1 102668216 ASLMFYZAWDNSGR-OXQOHEQNSA-N 357.417 4.047 0 40 FIAB Cc1nc(CSCCC(=O)Nc2ccccc2N2CCCC2)cs1 29830149 MKAVWBMMMLTNAD-UHFFFAOYSA-N 361.536 4.314 0 40 FIAB Cc1ccc(OCCCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24115212 PCDGAVVIUIFXPR-UHFFFAOYSA-N 366.505 4.066 0 40 FIAB COc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)nc2c1 100936301 APCIDJUGXVOSGS-CBLJQSSYSA-N 374.506 4.422 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCCCCC2 27632240 UOLKBLBPGPJALW-UHFFFAOYSA-N 370.518 4.496 0 40 FIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 16751660 OSYCMSDGKPBOEE-SFHVURJKSA-N 351.377 4.277 0 40 FIAB O=C(Nc1cnc2ccccc2c1)C1(c2ccc(F)cc2)CCOCC1 57195733 PAKDXRNDFFGSQT-UHFFFAOYSA-N 350.393 4.061 0 40 FIAB CCc1cc2c(Nc3ccc(N4CCCC4=O)c(C)c3)ncnc2s1 24061186 LDIODFPAEOEWQE-UHFFFAOYSA-N 352.463 4.433 0 40 FIAB Cc1ccc(C(=O)CCC(=O)NCCCO[C@H](C)c2ccccc2)cc1 42805745 NMALWCNCHTZQGU-GOSISDBHSA-N 353.462 4.242 0 40 FIAB O=C(Nc1ccc(F)cc1F)C1(c2ccc(Br)cc2)CC1 24588169 MMMUTUYJIRHSHR-UHFFFAOYSA-N 352.178 4.398 0 40 FIAB CC(C)(C)OC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 47539580 OFTADSCWSMXYPK-UHFFFAOYSA-N 358.404 4.195 0 40 FIAB Cc1ccc2nc([C@H]3CCCN3C(=O)NCC3(c4ccccc4)CC3)[nH]c2c1 61858446 KUQOGTHBQVWRPJ-HXUWFJFHSA-N 374.488 4.450 0 40 FIAB O=C(NCc1ccncc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 3229452 QYULTPBAKMSLKX-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20039592 MXKIGXOURBRDLL-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(C)c1 20486596 XMAMERNPPSBFFW-FQEVSTJZSA-N 355.478 4.300 0 40 FIAB Cc1occc1-c1nnc2sc(-c3cccc(Br)c3)nn12 12653897 KGAZYHCBJPPVKH-UHFFFAOYSA-N 361.224 4.184 0 40 FIAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2C)N2CCCCC2)cc1 27662712 LTKKMWRGTJAVBE-OAQYLSRUSA-N 366.505 4.026 0 40 FIAB Cc1csc(CCCNC(=O)CCCOc2ccc(Cl)c(C)c2)n1 58265917 JKFVLFGRCGTXPP-UHFFFAOYSA-N 366.914 4.321 0 40 FIAB Cc1cc(C)c2oc(C(=O)Nc3ccccc3Br)cc(=O)c2c1 27740531 SYHXPAOATIDESW-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB O=C(c1sc2cccc(F)c2c1COc1ccccc1)N1CCOCC1 10366662 HJJMYDFPJMKFGS-UHFFFAOYSA-N 371.433 4.092 0 40 FIAB O=C(CN1CCCCCCC1=O)Nc1ccc(Oc2ccccc2)cc1 58429966 GUTGSGHLZZMHKF-UHFFFAOYSA-N 352.434 4.210 0 40 FIAB O=C(c1ccc(COc2ccc(F)cc2F)o1)N1CCc2ccccc2C1 27983656 DXRPTFMAFQRTQB-UHFFFAOYSA-N 369.367 4.335 0 40 FIAB Cc1cc2ncn(C[C@@H](O)CO[C@@H](C)c3ccc(Cl)cc3)c2cc1C 3334872 LPIAIIBCPVUIQU-MAUKXSAKSA-N 358.869 4.445 0 40 FIAB COc1cccc(-c2nc3c4c5c(sc4ncn3n2)CC[C@@H](C)C5)c1 2338810 NAABOFQVZFXCFL-LLVKDONJSA-N 350.447 4.139 0 40 FIAB CC(C)CSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)O 2312653 AZLDKMCVGIGDSK-UHFFFAOYSA-N 354.431 4.171 0 40 FIAB C[C@@H]1CCc2sc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c3c2C1 2365788 CGWYMAAWOIECFF-GFCCVEGCSA-N 363.490 4.197 0 40 FIAB C[C@H](N[C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccccc1Cl 28792455 QSBCTIZMIITUAE-QWHCGFSZSA-N 368.872 4.263 0 40 FIAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C)cc2Cl)cc1 12770592 PEYZKGMRPYKOMZ-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12738705 NMORNXOPGSBDJY-QGZVFWFLSA-N 359.372 4.103 0 40 FIAB COc1ccc(-c2ccc(CCC(=O)NCc3ccc(F)cc3)o2)cc1 12999004 XRXMIILXPXLXRU-UHFFFAOYSA-N 353.393 4.343 0 40 FIAB Cc1ccc(NC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)cc1Cl 38653801 XYLQJSZFVQZBBC-UHFFFAOYSA-N 362.220 4.416 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)/N=c1\[nH]c2ccccc2s1 49545877 IWOHEQHWQGGLBK-UHFFFAOYSA-N 368.487 4.170 0 40 FIAB CCOc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 14094627 PVWOYLWBEGDUQS-UHFFFAOYSA-N 367.474 4.440 0 40 FIAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCc1ccccc1F 14198707 ORKYIDAVVHISMH-UHFFFAOYSA-N 374.412 4.239 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 69872612 VMLUBRSFYVWTAX-PKOBYXMFSA-N 357.837 4.016 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1cccs1)N(c1ccc(Br)cc1)C2=O 4625145 IHFACDUIWLZXIB-OAHLLOKOSA-N 374.263 4.292 0 40 FIAB COc1ccc(NC(=O)c2c(-n3cccc3)sc(C)c2C)c(OC)c1 8756806 YXQWSIVBZYWCPR-UHFFFAOYSA-N 356.447 4.425 0 40 FIAB O=C(NCc1ccncc1)c1cc(Cl)ccc1OCc1ccccc1 7367101 VFWAGHUXWYGXRC-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2cc(F)ccc2s1 15816631 XEYIDTQTRZGQSV-UHFFFAOYSA-N 363.435 4.005 0 40 FIAB COc1ccc(Cl)cc1NCC(=O)Nc1ccc(C(F)(F)F)cc1 7972084 KMVQQBLJFOAVNT-UHFFFAOYSA-N 358.747 4.418 0 40 FIAB O=C(OCc1nc2ccccc2o1)c1ccccc1C(=O)c1ccccc1 7991031 BKCSVWOYAXCKCE-UHFFFAOYSA-N 357.365 4.416 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccccc1OC 20485909 AOGJNJTYBOSMKM-KRWDZBQOSA-N 361.869 4.255 0 40 FIAB C[C@@H](OC(=O)CCCOc1ccc(F)cc1)c1nc2ccccc2n1C 72307922 IYPOYLXELHREIA-CQSZACIVSA-N 356.397 4.176 0 40 FIAB Cc1ccc(OCCC(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)cc1C 95465502 ZMLLIQPTOHLASR-GOSISDBHSA-N 367.367 4.307 0 40 FIAB CCOc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccco3)C2)cc1 95945260 MBKXXRUNXFMSJH-KRWDZBQOSA-N 350.374 4.263 0 40 FIAB Cc1cc(NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2n1 89583101 AIUPZBUCRZNWLO-QFIPXVFZSA-N 365.452 4.168 0 40 FIAB C[C@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nccn1C 183053405 DBFJRZYFSZQICX-NSHDSACASA-N 366.412 4.413 0 40 FIAB COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C 30289543 HVMSYAYRLAYTDO-UHFFFAOYSA-N 367.470 4.072 0 40 FIAB O=C(O)[C@H]1CN[C@H](c2c(OCc3ccccc3)ccc3ccccc23)S1 408975296 ABNPSOQZILDMMS-QUCCMNQESA-N 365.454 4.207 0 40 FIAB O=C1SC(Cl)(Cl)c2nc3c(cc21)C(=O)SC3(Cl)Cl 3847642 JTROIIZUMQHVOL-UHFFFAOYSA-N 361.058 4.031 0 40 FIAB biogenic CC(C)(NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1cccs1 523967194 BVYBCDBVNBHDRS-UHFFFAOYSA-N 372.471 4.265 0 40 FIAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)NC(C)C)cc1 44086447 NVJXELICSVXINY-UHFFFAOYSA-N 365.502 4.464 0 40 FIAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222914247 ICDMRHAUGZVGNE-ZWKOTPCHSA-N 356.539 4.267 0 40 FIAB CCn1c(CN2CC[C@H](c3ccccc3)[C@@H]2C)nc2cc(C(=O)O)ccc21 565103239 DSSZYWJFFMVAIP-YJBOKZPZSA-N 363.461 4.132 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2ccc(OC)c(OC)c2)cc1 225621827 SMMOZMWBSIYFCO-UHFFFAOYSA-N 374.506 4.022 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccc(C)cc2)cc1 226285289 YAVHYBZRIYFYND-UHFFFAOYSA-N 350.340 4.163 0 40 FIAB COc1cccc(C(=O)NCCSCc2ccccc2Cl)c1OC 225042814 GCSSVWLNSNHSBG-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)cc1OC 224148999 FGIOHSSXBUWXPZ-HXUWFJFHSA-N 369.461 4.379 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(C)c(C)c1 225799055 JGLPZXOHPHQQTE-CYBMUJFWSA-N 353.871 4.005 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccccc2)cc1OC 40042766 CAXRERODVHOLDS-SFHVURJKSA-N 367.445 4.030 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)c1 44902330 HXFMEMJLCJNFHV-IBGZPJMESA-N 355.434 4.276 0 40 FIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1C 225897774 HIIPVJMOAORUSP-HXUWFJFHSA-N 366.502 4.119 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC(C)CC1 225720121 ZFVNDYHFVHDTLT-UHFFFAOYSA-N 374.525 4.085 0 40 FIAB O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1ocnc1C1CC1 585083637 UYNWSTGMESCWLS-UHFFFAOYSA-N 350.340 4.380 0 40 FIAB CC(C)C(=O)N[C@]1(C)C[C@H](c2ccc(C(=O)O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257317879 VLOGIBDPQHJYKY-DHSNVRAJSA-N 373.493 4.182 0 40 FIAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257307426 SYOYMKGSXWYFRT-IBGZPJMESA-N 365.408 4.167 0 40 FIAB C[C@H]1CCCN(c2ccc(NC(=S)N[C@@H](C)c3ccccc3)cn2)C1 260692628 DVQZASQDGQOQFF-HOTGVXAUSA-N 354.523 4.366 0 40 FIAB CCC1(CC)CN(C(=O)c2cccc(OCC(F)F)n2)c2ccccc21 622458940 CEGHCIKDGQKXDT-UHFFFAOYSA-N 360.404 4.444 0 40 FIAB COc1ccc(CCNC(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 390826096 BLZFBFGCKJWPGW-SFHVURJKSA-N 372.515 4.450 0 40 FIAB Clc1ccc(-c2nc(CSCc3nnnn3C3CC3)cs2)cc1 45020410 ILVCFABNBOBLBZ-UHFFFAOYSA-N 363.899 4.218 0 40 FIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(F)c1 5146682 ICQHOCBQWLXFHR-UHFFFAOYSA-N 351.406 4.383 0 40 FIAB C[C@@H](Sc1ncccc1Cl)C(=O)Nc1ccccc1OC(F)F 11251308 SKZVVBHRNDXPLQ-SECBINFHSA-N 358.797 4.456 0 40 FIAB Clc1cc2c(cc1CN(Cc1ccncc1)Cc1cccnc1)OCO2 13989659 MCDSZLVBMCIQJY-UHFFFAOYSA-N 367.836 4.061 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCC(=O)c2cccs2)c1 15827466 JRWRYNOGGYGJOU-INIZCTEOSA-N 373.474 4.092 0 40 FIAB Cc1ccc(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 17605349 XRRGKWHNMFWRTB-UHFFFAOYSA-N 354.475 4.243 0 40 FIAB CC(=O)N(C)C1CCC2(CC1)CN(CC(C)(C)C)Cc1ccccc1O2 19016288 LHFCLGHMIQUWRA-UHFFFAOYSA-N 358.526 4.087 0 40 FIAB CC(=O)N1CCc2sccc2[C@H]1c1ccccc1NC(=O)c1ccco1 19018141 FVTVGYNMUSVVQR-LJQANCHMSA-N 366.442 4.087 0 40 FIAB CC(C)c1nccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19454495 MTIHHIXXDLWOPI-MXNKGDRCSA-N 365.521 4.485 0 40 FIAB Cc1noc(CCC(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)n1 19665219 SNDAUPYPUCRASI-UHFFFAOYSA-N 362.842 4.035 0 40 FIAB Cc1nn(C)c2nc(C3CCN(Cc4cn(C)c5ccccc45)CC3)ccc12 19744655 XCBXOBAABLWMOZ-UHFFFAOYSA-N 373.504 4.148 0 40 FIAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 5411405 XIHOSDDHBYWYFK-WEVVVXLNSA-N 364.228 4.497 0 40 FIAB O=C(O)c1ccc(-c2cccc(NC(=S)NC(=O)C3CCCCC3)c2)o1 226351718 KKYZKGYQNDFQAZ-UHFFFAOYSA-N 372.446 4.038 0 40 FIAB CCOC(=O)c1ccc(OC)c(OCc2cccc(Br)c2)c1 226322212 OWTDQZBGRCNUGU-UHFFFAOYSA-N 365.223 4.213 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C)s1 7388342 UMNNPVJAGJLSOI-UHFFFAOYSA-N 361.467 4.220 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12859767 FREVRFWAMGNIPF-NSHDSACASA-N 361.800 4.495 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2ccco2)s1 1888970060 OJWHVCKTAXTWFY-CQSZACIVSA-N 361.850 4.054 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)N1CCCC1 13995826 VQFGUQWUVLUJTO-UHFFFAOYSA-N 374.440 4.093 0 40 FIAB O=C(c1cc2cc(F)ccc2s1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565520568 YMCPWAJLGJOFCL-GJZGRUSLSA-N 355.438 4.245 0 40 FIAB CCOc1ccc(N2CCn3c(SCc4ccc(F)cc4)nnc32)cc1 17307786 LSMWYOLWTLWYDQ-UHFFFAOYSA-N 370.453 4.260 0 40 FIAB CN(C)[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cc2ccccc2o1 575621403 NZWFLFYCTWXIIC-SFHVURJKSA-N 366.436 4.023 0 40 FIAB O=Cc1ccccc1OCCCSc1nnc(Cc2ccccc2)o1 15422794 HHAUNJZEPKURFS-UHFFFAOYSA-N 354.431 4.034 0 40 FIAB Cc1cc(C(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)c(C)o1 77200343 NUNHXLWZZCQCIW-SJORKVTESA-N 374.412 4.325 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N(C1CC1)[C@@H]1CCc2ccccc21 40155811 GLLCLSLUZSGXBZ-GOSISDBHSA-N 365.857 4.320 0 40 FIAB Cc1cccc(OCc2nnc(NC(=O)c3cccc(Cl)c3)s2)c1 1326380 QPYXOHBKMQOTIV-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB O=C(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(Cl)cc2)nn1 1400469 YSMDWRNUJVOVOS-UHFFFAOYSA-N 357.196 4.245 0 40 FIAB CCOC(=O)c1ccc(-c2c(C)oc3cc(OC)c(CC)cc3c2=O)o1 1516552 XRGBNUSQBKHMTB-UHFFFAOYSA-N 356.374 4.109 0 40 FIAB O=C(c1ccccc1)c1ccc2c(Cl)ccc(C(=O)O)c2c1C(=O)O 1723073 DFALXQVCTBMFNX-UHFFFAOYSA-N 354.745 4.121 0 40 FIAB CCc1ccc(-c2nc3c4cnn(-c5ccc(C)c(C)c5)c4ncn3n2)cc1 2324548 LTOUOYBMSNTEOD-UHFFFAOYSA-N 368.444 4.309 0 40 FIAB Cc1cc(NC(=O)CCC(=O)c2cccs2)ccc1Br 3396401 WZQNCSRRGKVOOG-UHFFFAOYSA-N 352.253 4.421 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1nc2c(C)cc(C)cc2s1)c1ccccc1 3415298 XUZJBBHFMWMRGI-MRXNPFEDSA-N 367.474 4.119 0 40 FIAB COc1ccccc1C(=O)Nc1nc2ccc3sc(C)nc3c2s1 3893189 LWZJPXRRNBXIKW-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 4026483 NNMJHVBZUSISMC-MHFUIECGSA-N 374.521 4.345 0 40 FIAB biogenic CCOP(=O)(OCC)c1nc(-c2cccc3ccccc23)oc1N(C)C 4032091 CIQPECMBPMSGDI-UHFFFAOYSA-N 374.377 4.452 0 40 FIAB Clc1ccc(-c2nnc3ccc(SCc4cccnc4)nn23)cc1 4062775 WBIKBVDOEFQPKI-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB COc1cccc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)c1 4329866 QBFXYIRHZBFMSZ-UHFFFAOYSA-N 363.295 4.016 0 40 FIAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1CC(C)C 4484729 XRUKTRDBHRALQY-UHFFFAOYSA-N 369.490 4.432 0 40 FIAB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3Cl)n2C)cc1 4695047 OBFFCDKHYNDEDX-UHFFFAOYSA-N 372.881 4.386 0 40 FIAB CC(=O)OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 4965204 GPBSMWIJEGEZJS-JOCHJYFZSA-N 372.424 4.081 0 40 FIAB CCc1ccc(N2C(=O)S/C(=C/c3nc4ccccc4n3C)C2=O)cc1 5236061 RRNAIKLIKIHISE-SFQUDFHCSA-N 363.442 4.377 0 40 FIAB COc1cc(C)c(NC(=O)c2ccccc2Br)cc1OC 5616708 HXPFOYQOPGJWTA-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB O=C(CSCc1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1 6508854 WWLGOJVZKOCYIZ-UHFFFAOYSA-N 359.451 4.216 0 40 FIAB COc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)cc1 6621766 VHUKSSZYHQGPQK-UHFFFAOYSA-N 372.475 4.021 0 40 FIAB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2Cl)NC3=O)c1 6753325 QXDVNQXPPZKRQH-MRXNPFEDSA-N 374.227 4.225 0 40 FIAB Clc1ccc([C@@H](CCNCCCN2CCOCC2)c2ccccc2)cc1 6760276 CUFUJSJAAHFSAO-QFIPXVFZSA-N 372.940 4.174 0 40 FIAB CCn1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 6948138 RPXSYQPPIGURNY-GZTJUZNOSA-N 365.820 4.412 0 40 FIAB COc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1F 7089128 DNABZURFURRSMZ-MRXNPFEDSA-N 374.393 4.022 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1C 7236413 IALOWMCHEPRKNT-CYBMUJFWSA-N 367.474 4.236 0 40 FIAB Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C 7376448 OXJFVVSYURFWPY-UHFFFAOYSA-N 351.471 4.371 0 40 FIAB CCc1ccc2c(COC(=O)c3cc(C)n(CC)c3C)cc(=O)oc2c1 7794383 LRLZNNRVAGLQMU-UHFFFAOYSA-N 353.418 4.151 0 40 FIAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(F)c1 8287589 NQWCKZIWOFHYBL-VMPITWQZSA-N 350.187 4.249 0 40 FIAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@@H]3CCCc4ccccc43)ccc(F)c21 8324550 LPLDOKXHHSWTSC-SUMWQHHRSA-N 367.420 4.088 0 40 FIAB Cc1sc2ncnc(N[C@H](C)C(=O)N3CC[C@H]4CCCC[C@@H]4C3)c2c1C 8368603 KDVYEMPPLQYHIL-FVQBIDKESA-N 372.538 4.147 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccs3)cs2)cc1 8776318 PJWHILGVPALXJQ-GFCCVEGCSA-N 358.488 4.300 0 40 FIAB CC(C)CNC(=O)CCc1ccc(NC(=O)CSc2ccccc2)cc1 8908456 VKDAMPHJTMAOMO-UHFFFAOYSA-N 370.518 4.122 0 40 FIAB O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(NCc3ccccc3)ncc21 9287289 OXHLZFDTDFUAFO-HNNXBMFYSA-N 365.383 4.280 0 40 FIAB Cc1nnc(S[C@H](C(=O)Nc2ccccc2)C(C)C)n1-c1ccccc1 9364573 FIRRAJZZZSMKFQ-SFHVURJKSA-N 366.490 4.331 0 40 FIAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(C)c(Cl)c1 10404324 RCVMSUBAENBWEH-UHFFFAOYSA-N 360.841 4.474 0 40 FIAB CCCn1c(S[C@@H](C)C(=O)NCC)nc2ccc(C(F)(F)F)cc21 11021836 KMNAYIWTYCERIA-JTQLQIEISA-N 359.417 4.082 0 40 FIAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(F)c(Cl)c1 11497598 BKTQEULXVHJIDP-UHFFFAOYSA-N 368.865 4.061 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc2oc(C)nc2c1 12546050 NGRUQOUCEIAAQK-JTQLQIEISA-N 359.813 4.237 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12813964 DAYAJRNMRUZDHZ-QGZVFWFLSA-N 357.837 4.479 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 13710857 MCPKRKBEMSPXCS-FQEVSTJZSA-N 366.505 4.036 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(-c2ccco2)on1 14249309 AAJZZEKTBHFUFN-UHFFFAOYSA-N 351.387 4.234 0 40 FIAB O=C(Oc1ccc(-c2nnco2)cc1)c1cc(F)c(Cl)cc1Cl 14634900 PWUZSXUKZFMYMI-UHFFFAOYSA-N 353.136 4.402 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3ccc(C)c(C)c3)cs2)cc1 15832559 UAIJUERZYCXYBQ-UHFFFAOYSA-N 366.486 4.431 0 40 FIAB Cc1ccc(C(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)cc1Cl 16312717 GOGJBAUXRAILEB-WBMJQRKESA-N 374.790 4.291 0 40 FIAB Cc1ccnc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)c1 17820919 JSNGBBNPIJLVHF-XMHGGMMESA-N 355.397 4.030 0 40 FIAB Cc1nn([C@H](C)CC(=O)NC2(c3cccc(F)c3)CCCC2)c(C)c1C 19556195 JGQBDRKULLSVQI-CQSZACIVSA-N 357.473 4.484 0 40 FIAB Cc1nc2cc(C(=O)N[C@H](C)c3ccccn3)ccc2n1-c1ccccc1 19657176 SNRFFYMPFGEYIB-OAHLLOKOSA-N 356.429 4.220 0 40 FIAB Cc1ccc2c(Cl)c(Cc3ccccc3)c(N3CCOCC3)nc2n1 19897385 HBQBCXBZOCIRMB-UHFFFAOYSA-N 353.853 4.019 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 20042092 ZEIGEXTVPRFGRE-QHCPKHFHSA-N 374.484 4.346 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(C)c(C)c1 20138771 FXIBFMGMWVDHHP-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2C)cc1Cl 20142530 PRKMNBAYKMXKMD-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB Brc1ccc(CNC[C@H](c2ccco2)N2CCCC2)s1 21014941 UEEZENKLDYPOOQ-CYBMUJFWSA-N 355.301 4.030 0 40 FIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccnc(Cl)c1 21022758 WJHHJDHNJPHNHP-UHFFFAOYSA-N 354.822 4.364 0 40 FIAB CCC[C@@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 23703002 SARQVBDMKGGFRA-OAQYLSRUSA-N 352.478 4.041 0 40 FIAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 27978178 HRUSSFJMVRUSME-AWEZNQCLSA-N 367.323 4.230 0 40 FIAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1F)c1ccccn1 27992171 JFBGVBPSYQKXRB-UHFFFAOYSA-N 374.371 4.174 0 40 FIAB COc1ccc(CN(C)C(=O)COc2cc(C)ccc2C(C)C)cc1OC 29260192 XJKYYJCSOHWDTN-UHFFFAOYSA-N 371.477 4.173 0 40 FIAB COc1ccc(NC(=O)CCSCc2c[nH]c3ccccc23)c(OC)c1 36559252 WMSJSDMYOCOAKS-UHFFFAOYSA-N 370.474 4.447 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1 36692884 BOKYVDOWQVRBRG-QGZVFWFLSA-N 362.420 4.101 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)N[C@H](C)c2cccc(F)c2)o1 40130446 BYHXCOWZGQYUBE-CQSZACIVSA-N 369.392 4.497 0 40 FIAB COc1ccc(NCc2nc(-c3ccsc3)no2)c(C(F)(F)F)c1 40155664 JBICQKUIBATFGD-UHFFFAOYSA-N 355.341 4.438 0 40 FIAB CN(C)c1ccc(C(=O)Nc2cccc(C3SCCCS3)c2)cn1 46165721 VHLSSHMAALBEJQ-UHFFFAOYSA-N 359.520 4.269 0 40 FIAB c1ccc([C@H]2CN(Cc3nc(-c4ccccn4)no3)Cc3ccccc32)cc1 48342237 DOFVDZVLHWHTKO-HXUWFJFHSA-N 368.440 4.279 0 40 FIAB O=C(NCC1CCN(C2CCCC2)CC1)c1cc(Cl)cc(Cl)c1 49509298 DDZBXELSLQDJBT-UHFFFAOYSA-N 355.309 4.378 0 40 FIAB CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C)c1C 58181339 JJLHZQPLYRSIHQ-HNNXBMFYSA-N 355.438 4.311 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2)C1 59227297 QGFJGMLYAJJLGD-SFHVURJKSA-N 350.462 4.111 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1C 59227359 VSKLXIZAJOHZGM-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 59726119 VGVHDWLOJWBVNG-SFHVURJKSA-N 353.418 4.096 0 40 FIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 65566646 LVAAEIZGWKZLBO-LJQANCHMSA-N 374.400 4.033 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C=O 72215071 YMBIMPAKXNMAFN-QGZVFWFLSA-N 361.486 4.307 0 40 FIAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2C=O)cn1 72215790 BWHMLFNBYKJTEJ-GOSISDBHSA-N 367.449 4.448 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 72330313 JTZTZZVWEJMKLI-OJMNFPMESA-N 374.521 4.012 0 40 FIAB biogenic COc1cccc(-c2nc3cnccn3c2NCc2cccs2)c1OC 72341921 XRDIYOAGKUHRTN-UHFFFAOYSA-N 366.446 4.087 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@]1(O)CCc2ccccc21 75155715 HGMGFMCBLQOJBM-RUZDIDTESA-N 371.480 4.159 0 40 FIAB O=C(Nc1cccs1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165918 BNHJKWNVAUOELG-CABCVRRESA-N 359.451 4.430 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccc(-c3cccc(C(=O)O)c3)o1)SCC(O)=N2 79485886 HPWJDTSYFIKZFI-MRXNPFEDSA-N 369.402 4.101 0 40 FIAB C[C@H](Nc1cccc(CN2CCCCC2=O)c1)c1nc(C(C)(C)C)no1 84667603 UAHYBZGPNSUILE-AWEZNQCLSA-N 356.470 4.053 0 40 FIAB CN(CCCN[C@H](CCc1ccccc1)C(F)(F)F)CC(F)(F)F 95462779 VYOOCGLHLKNXGF-CQSZACIVSA-N 356.354 4.024 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccs2)S1 96118454 DARJCSKRRLMTMM-SMDDNHRTSA-N 363.508 4.254 0 40 FIAB COC1(CNC(=O)CCSc2ccccc2)C2CC3CC(C2)CC1C3 96123859 FCBKHGBHZVDWMC-UHFFFAOYSA-N 359.535 4.126 0 40 FIAB C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C)C(=O)Nc1ccccc1 100251778 UYHGCPBBCRVDCH-SIFORAMQSA-N 368.506 4.166 0 40 FIAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CSc1ccc2ccccc2c1 102170017 JAYGBKSVJFTCCE-YMVIQGDUSA-N 351.475 4.160 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 104218882 ZMWDQOZHUJPDBR-HYSWKAIVSA-N 373.378 4.443 0 40 FIAB COc1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 108402895 KEPDSKKOLRSVRM-GOSISDBHSA-N 370.474 4.092 0 40 FIAB Cc1nnc(S/C(=C\c2ccccc2OCc2ccccc2)C(=O)O)o1 211529951 NPQPVIDDASNLPG-BOPFTXTBSA-N 368.414 4.175 0 40 FIAB Cc1ccccc1[C@H]1CCN(C(=O)COc2ccc(F)cc2)CCS1 219278662 POLDRPKWSRRMOR-LJQANCHMSA-N 359.466 4.220 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc2ccccc2c1 223627242 BKKCPXKATBUXCI-HXUWFJFHSA-N 367.420 4.332 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1Cl 224284006 XOYBLYVJJCPOLG-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)ccc1OC 224345231 XFPOICGTOAXROL-HXUWFJFHSA-N 369.461 4.379 0 40 FIAB CCCOCc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OC 224419910 VMDPIZAUAJSDHQ-KRWDZBQOSA-N 355.478 4.373 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc3ccccc3cc2OC)c1 225764420 BRKVEZGQJVLTNH-AWEZNQCLSA-N 365.429 4.357 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(OC)cc3)nc2c1 226283745 VJHWJUALNSOKAU-UHFFFAOYSA-N 364.323 4.419 0 40 FIAB Cc1cccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n1 257280228 OJZXKMMOEMIWKI-HXUWFJFHSA-N 361.445 4.336 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 260828093 KXPXDLPUFPXZEO-APWZRJJASA-N 356.897 4.429 0 40 FIAB COc1ccccc1-c1nnc(SC(=O)Cc2ccc(Cl)cc2)o1 408624473 UMRMSOVGSSLHTA-UHFFFAOYSA-N 360.822 4.260 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc2nc(SCCC(=O)O)sc2c1 408751162 XETWAWRRDAWJJU-UHFFFAOYSA-N 372.471 4.424 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(F)cc1 409098234 OCWKNULFAMGFGC-UHFFFAOYSA-N 370.453 4.008 0 40 FIAB CN(C)[C@H](CNC(=O)NCc1cccs1)c1csc2ccccc12 575621692 RDDQAGMDXSLPKG-MRXNPFEDSA-N 359.520 4.065 0 40 FIAB O=C(c1nccc2ccsc12)N(Cc1ccccc1)[C@H](CO)C1CCC1 627910306 AXGIGMAXPXACGS-GOSISDBHSA-N 366.486 4.100 0 40 FIAB Cc1ccc(NC(=O)C2(CN[C@@H]3CCCn4ccnc43)CCCC2)cc1C 655722102 WWNJNYBDZCUXQR-LJQANCHMSA-N 366.509 4.124 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)N1CCC[C@@]2(CCCN(CC3CC3)C2)C1 2056224673 PAXRQFLYRMGGCY-HXUWFJFHSA-N 363.452 4.085 0 40 FIAB C[C@H](Oc1ccc(F)cc1)c1nn2c(-c3ccc(F)cc3)nnc2s1 632927 IIWKFAVNHDSZME-JTQLQIEISA-N 358.373 4.271 0 40 FIAB COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 674782 BCLRTKKNWCCYLJ-UHFFFAOYSA-N 372.490 4.128 0 40 FIAB CC(=O)N(Cc1ccccc1Cl)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1366492 VYTMLWAUBXSAKE-UHFFFAOYSA-N 368.864 4.347 0 40 FIAB Cc1ccc([C@H]2[C@@H](C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 1650095 KWYXQHAUBJOQFR-NVPCEHRXSA-N 371.502 4.033 0 40 FIAB CC(C)CCn1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21 2256475 KQAIFTPLINCFLC-UHFFFAOYSA-N 354.454 4.168 0 40 FIAB Cc1ccccc1-n1nnnc1SCc1csc(-c2ccccc2)n1 2633080 YCGGNMSHHPSMQZ-UHFFFAOYSA-N 365.487 4.387 0 40 FIAB COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1 3234357 XGODWLPMVXYCDI-UHFFFAOYSA-N 364.430 4.051 0 40 FIAB Cc1nc(SCC(=O)NC(C)C)c2cc(-c3ccccc3)sc2n1 3269148 QWBRIQSOMYZPOH-UHFFFAOYSA-N 357.504 4.283 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(I)cc2C)c1 3421178 JDKFTTXUAWEIKX-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 3572086 YXKHDSAOFSLZSN-GFCCVEGCSA-N 367.276 4.461 0 40 FIAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1COc2ccccc2O1 4224199 HJNRCXRPQGUNJV-INIZCTEOSA-N 362.410 4.228 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(C2SCCS2)cc1 5584187 DVIYMNLMLUFMRK-CZUORRHYSA-N 351.537 4.239 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)Nc2ccc(-c3ccccc3)cc2)cc1 5938995 TTWOICPULZTFDI-QGZVFWFLSA-N 360.457 4.479 0 40 FIAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2ccccc21 6507696 PVQRLETUPWMEFU-KBXCAEBGSA-N 369.486 4.132 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 6602043 DUFFAVQEXYFQJH-GOSISDBHSA-N 372.559 4.198 0 40 FIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2ccccc2F)o1 6988628 FSQRYZOGHBNVQP-UHFFFAOYSA-N 364.376 4.465 0 40 FIAB CCOc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1C1CC1)O[C@@H](C)C2 7364316 BGUHBAODHFMWQE-ZSEKCTLFSA-N 364.445 4.138 0 40 FIAB CCc1ccc2c(COC(=O)CCc3ccc(F)cc3)cc(=O)oc2c1 7454690 COAGQRFFOJTPRQ-UHFFFAOYSA-N 354.377 4.171 0 40 FIAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(C(F)(F)F)c1 7683463 VXVGCVGPGHLGSE-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CSc1ccc(CN(C)C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 8037107 DXKWHYNJOBETPG-IBGZPJMESA-N 371.502 4.239 0 40 FIAB COc1ccc([C@H](CNC(=O)CCc2cccs2)N2CCCCC2)cc1 8037399 VPTOPCNGQJZLQD-FQEVSTJZSA-N 372.534 4.033 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 8051130 GPFKHJDHFWHRCN-INIZCTEOSA-N 363.841 4.462 0 40 FIAB C[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 8181824 KTUJUMJJNAIKMB-LBPRGKRZSA-N 372.877 4.162 0 40 FIAB COc1cccc(OC)c1-c1noc(CSc2nc3ccccc3o2)n1 8306757 NMNVHWVJTIIDTI-UHFFFAOYSA-N 369.402 4.187 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1ccccn1)C3=O 8664929 POGHILMBWCRDES-FQEVSTJZSA-N 368.392 4.246 0 40 FIAB CC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 9140485 WHUIVLISBLTMNB-UHFFFAOYSA-N 361.879 4.450 0 40 FIAB Cc1cc(C)n2nc(C(=O)N[C@H](c3cccs3)C(C)C)c(Cl)c2n1 12200422 LHFOKJLNNNNPDQ-AWEZNQCLSA-N 362.886 4.188 0 40 FIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(Cl)cc1 12539358 XWZMIFZSOWVSAM-LJQANCHMSA-N 353.853 4.421 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)c3cccnc3)cc12 12558190 IYZAIRBLROTFJV-CYBMUJFWSA-N 362.458 4.281 0 40 FIAB COc1ccccc1C(=O)NCCc1ccc(-c2csc(C)n2)cc1 12856177 SWQZLSCEQMJOTD-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB Cc1cc2occ(CC(=O)Nc3cccc(C(N)=O)c3)c2cc1C(C)C 12891181 HPKIWSIHYOLVLS-UHFFFAOYSA-N 350.418 4.145 0 40 FIAB O=C(CSc1nc2ccccc2[nH]1)c1nnc(-c2ccc(Cl)cc2)o1 12951481 ABPULYNEZJGVDW-UHFFFAOYSA-N 370.821 4.241 0 40 FIAB CCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Br)c1 13014755 ANKSVPXADKOLSX-UHFFFAOYSA-N 365.202 4.189 0 40 FIAB Cc1ccc2cc3c(nc2c1C)OCCN(CCc1ccc(F)cc1)C3 13563795 CLWARADBYAGGOD-UHFFFAOYSA-N 350.437 4.428 0 40 FIAB CC(C)Oc1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 13672454 CLVZKXHMFSBNSN-UHFFFAOYSA-N 374.289 4.259 0 40 FIAB Cc1nc(Nc2nc(C)c(C(=O)Nc3ccccc3)c(C)n2)sc1C 14607518 QDOBWVLRNXGRAW-UHFFFAOYSA-N 353.451 4.163 0 40 FIAB COc1cc(C(C)=O)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 16655168 JRFUQUJRASYGEZ-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB O=C(CCCn1ccnc1)Nc1ncc(Cc2ccccc2Cl)s1 19349649 MEYJWJMZJFVEFA-UHFFFAOYSA-N 360.870 4.003 0 40 FIAB CCN(Cc1cncn1C)c1ccc(N2CCCCC2)c(C(F)(F)F)c1 19526660 XYJFJKWGEYJAJF-UHFFFAOYSA-N 366.431 4.456 0 40 FIAB CCC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc2c(c1)ncn2C 19718411 DTQKPNYRACIEPK-IBGZPJMESA-N 351.450 4.195 0 40 FIAB Cc1ccc(-c2nc(NC(=O)COc3ccc(Cl)c(C)c3)no2)cc1 21800539 MVKPMNRDCFACRI-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CN(C)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 22075803 YMVWVOOMGFXQJY-UHFFFAOYSA-N 353.293 4.224 0 40 FIAB CCn1cc(C(=O)Nc2c(C)cc(C)cc2C)c(=O)c2cc(OC)ccc21 22235976 KGRKSAJAOKYVRD-UHFFFAOYSA-N 364.445 4.208 0 40 FIAB Cc1csc2nc(CN[C@@H](c3ccccc3)c3cccs3)cc(=O)n12 23995986 OVGYQQUONWXSAW-SFHVURJKSA-N 367.499 4.005 0 40 FIAB CC(C)[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(F)cc1 24600955 YDFHCXCUYDFOBW-SFHVURJKSA-N 359.832 4.203 0 40 FIAB COCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1cccc(OC)c1 24992127 JSQXMNGRDHAEKF-UHFFFAOYSA-N 355.312 4.091 0 40 FIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(OC(F)F)cc2)n1 25013156 MEAVDTDKNZIZDY-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB COc1cc(F)ccc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 25312878 CHOSQCRAVLWKHQ-UHFFFAOYSA-N 374.412 4.363 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2ccncc2)cs1 25380074 QEOOWORNVUUYLE-CQSZACIVSA-N 367.474 4.024 0 40 FIAB Cc1ccc(F)c(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1 27390315 HWKXCTXYNBDGFM-UHFFFAOYSA-N 372.465 4.101 0 40 FIAB O=C(CSCc1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 27917235 YVRYMSZOYKXPCO-UHFFFAOYSA-N 368.502 4.185 0 40 FIAB CCCCc1nnc(NC(=O)Cc2csc(-c3ccc(C)o3)n2)s1 28976907 INBGGEGQUOUDSK-UHFFFAOYSA-N 362.480 4.087 0 40 FIAB COC(=O)c1cc(NC(=O)CSCc2ccc(C)cc2)ccc1Cl 31056312 IZYVIFXECRSKHW-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB CCOc1ccc([C@@H](C)NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 32865579 CAZAVKGUMQCSKC-OAHLLOKOSA-N 357.475 4.053 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)c1cccc(OCC(C)C)c1 32933556 NEFOUCNLHYSZRA-UHFFFAOYSA-N 351.406 4.332 0 40 FIAB Cc1noc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 36613853 QEWZSLWFJCURCG-UHFFFAOYSA-N 366.352 4.194 0 40 FIAB C[C@H](C(=O)NCCSc1ccc(Cl)cc1)n1cnc2ccccc21 36834352 ZRTCRQFIJQIVNV-CYBMUJFWSA-N 359.882 4.159 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCCCC1 38752971 LHCIQUVPQXWPPH-OAQYLSRUSA-N 368.521 4.380 0 40 FIAB COCc1cccc(CNC(=O)CCc2cccc(Cl)c2Cl)c1 40114022 XTCMLGYFLIHRES-UHFFFAOYSA-N 352.261 4.389 0 40 FIAB CC(C)[C@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(F)cc1 40131652 VIVOXPFYLGSUGV-NRFANRHFSA-N 351.425 4.067 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cc1 43492679 MWUTZSFDAHLUBB-SFHVURJKSA-N 364.470 4.219 0 40 FIAB CCCCc1ccc(NC(=O)CSc2nccc(N3CCCC3)n2)cc1 49399557 RHWIXHMOWHMHFB-UHFFFAOYSA-N 370.522 4.150 0 40 FIAB Cc1cn2c(CCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)csc2n1 49422450 AFCUNXOLDSDWTP-UHFFFAOYSA-N 371.359 4.433 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1(c2ccccc2)CCC1 53473341 JIDZDWHQMRLJLD-OAQYLSRUSA-N 360.457 4.146 0 40 FIAB O=C1CCCN1c1ccc(OC(=O)C2(c3cccc(Cl)c3)CC2)cc1 58406064 CZNOCICYEDYSKH-UHFFFAOYSA-N 355.821 4.104 0 40 FIAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 66321164 SSLDQSRNMZXLGP-LQBOVUBWSA-N 367.489 4.478 0 40 FIAB Cc1cc(NC(=O)CN(C)c2cc(-c3ccccc3)c3ccccc3n2)no1 69419440 NFUBHQTXJRUTPY-UHFFFAOYSA-N 372.428 4.273 0 40 FIAB CCn1cc(-c2cc(O)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)c(C)n1 72391418 CNLISWFACGUAOV-UHFFFAOYSA-N 367.840 4.256 0 40 FIAB COc1cc2c(c(CN(C)Cc3nc(C(F)(F)F)cs3)c1)O[C@H](C)C2 93814575 AFLWJROQWZORDL-SNVBAGLBSA-N 372.412 4.126 0 40 FIAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccccn1 96358264 XJAJTFBUMFCIIL-UHFFFAOYSA-N 362.414 4.036 0 40 FIAB Cn1ncc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1C1CC1 97163165 WUKZUZWVTDPSNG-UHFFFAOYSA-N 370.840 4.177 0 40 FIAB CCSc1ccccc1C(=O)NCc1nc(-c2cccc(C)c2)no1 219651473 HGIPUQRPIPWLNH-UHFFFAOYSA-N 353.447 4.087 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC(C)C 222702865 DNTGDHUCILOSMQ-OAHLLOKOSA-N 359.297 4.035 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)COc2ccccc2C)cc1 222897812 SHZSHCYAJDOLOV-XLIONFOSSA-N 355.478 4.299 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(C)c2)cc1Cl 223202850 YUECPCYAEMUSFA-UHFFFAOYSA-N 361.825 4.476 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223300622 VQBLUXONKDCJBR-INIZCTEOSA-N 353.462 4.048 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223937674 SNBGECZCSCFCEM-MRXNPFEDSA-N 353.447 4.310 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cc(C)cc(C)c1 224092034 QGVTUBDEPMINEE-OAQYLSRUSA-N 355.478 4.273 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3F)ccc21 225123568 BFSBPHJRQNDKSU-UHFFFAOYSA-N 350.802 4.128 0 40 FIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 225463556 DLEXSKDLHOOTGF-NSHDSACASA-N 350.871 4.405 0 40 FIAB CCOC(=O)N[C@H](CC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 408996917 BTNJTPYBNKPYRD-QGZVFWFLSA-N 360.841 4.464 0 40 FIAB O=C([C@H]1COc2ccccc2C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 518962519 BQIYPZUKSLSHPL-FYYLOGMGSA-N 369.464 4.412 0 40 FIAB CN(C)[C@H](CNC(=O)Cc1ccc(F)cc1)c1csc2ccccc12 575620493 KONVKTZEUYKLAF-GOSISDBHSA-N 356.466 4.002 0 40 FIAB Cc1ccccc1CCN[C@H]1CCC[C@@H](Oc2ccccc2Cl)[C@@H]1O 585289584 KIITZYSCVIMUPC-CEWLAPEOSA-N 359.897 4.142 0 40 FIAB O=C(NCc1ccc(-c2ccncc2)cc1)NC[C@@H]1CCc2ccccc21 606981918 OSBOTDSSHOHNBB-NRFANRHFSA-N 357.457 4.278 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N1CC2(CCOCC2)[C@H]1c1ccco1 618108486 QJYXBDBPDCILSV-MRXNPFEDSA-N 365.351 4.292 0 40 FIAB Cc1csc([C@H](C)C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)n1 629621301 LYGPZWULSWFSCA-SNVBAGLBSA-N 365.861 4.188 0 40 FIAB C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 1220846374 DKPQTLQWWVUFKP-DNVCBOLYSA-N 371.525 4.439 0 40 FIAB CC(C)(C)NC(=O)[C]1CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1560406736 QFCVRHNKNJSLBT-CVURWPNZSA-N 371.545 4.122 0 40 FIAB COc1cc(C)c(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1C 1661075584 UTXNGZKERNUAAG-UHFFFAOYSA-N 361.246 4.387 0 40 FIAB COc1ccc(Cl)cc1NC(=O)N1[C@H]2CC[C@H]1CC(n1cc(C)cn1)C2 1889151937 MNUQGCMWGRNQGY-GJZGRUSLSA-N 374.872 4.254 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1C 645270 NZCPKEVKQBNFFT-UHFFFAOYSA-N 374.245 4.109 0 40 FIAB O=C1C(Cl)=C(Sc2nc3ccccc3s2)C(=O)N1c1ccccc1 1062168 QFGYFSDONLEODZ-UHFFFAOYSA-N 372.858 4.412 0 40 FIAB O=S1(=O)c2ccccc2N[C@@H](c2ccc(F)cc2)N1Cc1ccccc1 1098807 PIKRAKHBMHLJRG-HXUWFJFHSA-N 368.433 4.141 0 40 FIAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2ccccc2C)s1 1342237 QBYKKNCOUMLYFF-UHFFFAOYSA-N 370.518 4.461 0 40 FIAB CCCC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c(C)nn1-c1ccccc1 2218429 OJRHVEIZNYVLPM-UHFFFAOYSA-N 361.445 4.255 0 40 FIAB CSCC[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 2284721 UIKKKKQGEITCOP-MRXNPFEDSA-N 359.882 4.441 0 40 FIAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccc2c(c1)OCO2 3120639 FLSNVJAZFWHMHU-GOTSBHOMSA-N 374.392 4.317 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1OCc1ccccc1 3236073 RXDBMDDRWDOKMF-UHFFFAOYSA-N 351.431 4.247 0 40 FIAB Cc1ccc(NC(=S)NC[C@@H](c2ccco2)N2CCCCC2)cc1C 3330322 WYHZMMHAMOJLBF-SFHVURJKSA-N 357.523 4.410 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2Cl)c(Cl)c1 3344108 LQCVEJDRVBGRHW-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB COc1ccc(-n2c(SCC(C)C)nc3ccccc3c2=O)cc1OC 3542268 ZIKIGACPTNATBG-UHFFFAOYSA-N 370.474 4.151 0 40 FIAB c1ccc2c(-c3nc(-c4ccncc4)no3)cc(-c3ccncc3)nc2c1 3583758 HZDWTVRADXAFPV-UHFFFAOYSA-N 351.369 4.409 0 40 FIAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(F)cc1 4078319 WBVGJYCBBLEJDV-UHFFFAOYSA-N 363.414 4.361 0 40 FIAB COCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(C)c2)s1 4982534 OKEDJXZJTNMSMN-UHFFFAOYSA-N 359.495 4.073 0 40 FIAB O=C(C[C@@H](NCCC1=CCCCC1)C(=O)O)Nc1ccc2ccccc2c1 5258872 PHENWPSEPVEWPI-HXUWFJFHSA-N 366.461 4.102 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)c3cc(F)ccc3F)c2cc1C 5628049 KQDGZDFXOVQNJH-UHFFFAOYSA-N 358.340 4.296 0 40 FIAB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OC(F)F)cc2)NC1=S 6521964 RCKIWMVIWKWZLB-JASJWYONSA-N 374.412 4.107 0 40 FIAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2oc3ccccc3c2c1 6582983 ARHCGGPRYUBARP-AWEZNQCLSA-N 358.397 4.343 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 6602042 DUFFAVQEXYFQJH-SFHVURJKSA-N 372.559 4.198 0 40 FIAB CN(CC(=O)Nc1ccc(SC(F)F)cc1)Cc1ccc(F)cc1 6734283 VFMPEIWXNZUMBP-UHFFFAOYSA-N 354.397 4.211 0 40 FIAB Cc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)N2CCCCCC2)c1 7178054 MTJZSSWGYMVYNN-KRWDZBQOSA-N 357.523 4.372 0 40 FIAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1Cc1ccccc1 7289700 RLRBNSCJJDQNKM-UHFFFAOYSA-N 367.474 4.389 0 40 FIAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1Cl 7725767 LVWAQQPARSHTLM-UHFFFAOYSA-N 358.825 4.475 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2csc(-c3ccccc3)n2)c1 8061570 AVIIPRFQVCVILC-UHFFFAOYSA-N 352.415 4.157 0 40 FIAB Clc1ccc2sc(SCc3nnnn3-c3ccccc3)nc2c1 8156901 NCOUGTHRYIJYTQ-UHFFFAOYSA-N 359.867 4.218 0 40 FIAB CC1(C)COc2ccc(NC(=O)c3cccc4ccccc34)cc2NC1=O 8959898 SADJSQPLXRWLOQ-UHFFFAOYSA-N 360.413 4.449 0 40 FIAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)c1 9232300 NAQZGGYJIZRPQO-LJQANCHMSA-N 358.441 4.448 0 40 FIAB COc1cc(CNC(=O)c2ccc(F)cc2Cl)ccc1OC(F)F 10441264 PQLYGKZSJAPREU-UHFFFAOYSA-N 359.731 4.019 0 40 FIAB CCOC(=O)COC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 10918185 PWOPCCKYGDGHRM-UHFFFAOYSA-N 367.426 4.197 0 40 FIAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 11718570 DRHNFCDYDQNJEB-UHFFFAOYSA-N 369.421 4.102 0 40 FIAB CN(Cc1ccccc1)C(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902661 WRRDSSVJJBQDJZ-UHFFFAOYSA-N 365.433 4.474 0 40 FIAB CCCC(=O)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 12222096 ZAIHIZOPCRJLAS-UHFFFAOYSA-N 372.472 4.499 0 40 FIAB c1coc(-c2nc(NC[C@H]3Cc4ccccc4O3)ncc2-c2ccncc2)c1 12338405 XFYLCKYOZQFQAZ-QGZVFWFLSA-N 370.412 4.214 0 40 FIAB Cc1cc(NC(=O)C2CCCC2)n(-c2nc(-c3ccccc3)cs2)n1 12441688 FOTWXHOBIYJVGU-UHFFFAOYSA-N 352.463 4.433 0 40 FIAB C[C@H]1C[C@H](Sc2nc(Nc3ccccc3)c3ccccc3n2)C(=O)O1 12524963 GLRWBKLADARQIB-LRDDRELGSA-N 351.431 4.170 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(SCc3cccnc3)cc2)cc1 12585382 SEIMZFVUASBFTI-UHFFFAOYSA-N 370.499 4.483 0 40 FIAB Cc1ccc(OCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c(C)c1 12793502 HPVPLUSXHRPLDX-OAHLLOKOSA-N 373.522 4.009 0 40 FIAB COc1cccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)c1 12822977 UCMHEWZUTGXIKO-UHFFFAOYSA-N 358.394 4.122 0 40 FIAB CSc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 12922296 XYTVCLCBOCTGFY-UHFFFAOYSA-N 354.475 4.029 0 40 FIAB O=C(CCSCc1nc(-c2cccs2)no1)Nc1ccccc1F 12972624 LUNPYJGBGAPGQM-UHFFFAOYSA-N 363.439 4.199 0 40 FIAB Cc1nc(C)c2c(C)c(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)sc2n1 12983419 RJQIXVDUSTUTSZ-QMMMGPOBSA-N 372.519 4.450 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1sc(-c2ccccn2)nc1C 12999240 JOZKGYPNZGPDJG-LBPRGKRZSA-N 353.447 4.013 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1 13490631 KUPMOHKLVMMYFP-UHFFFAOYSA-N 351.427 4.027 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(N[C@H](C)[C@@H](O)c4ccc(O)cc4)c23)C1 14017307 KWKNZEJEOCTRQA-SEDUGSJDSA-N 369.490 4.056 0 40 FIAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 14428858 PISGTUPJURSFKV-QGZVFWFLSA-N 374.440 4.230 0 40 FIAB C[C@@H](NC(=O)COc1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 15695043 NFKHKNOTEUXSIG-CYBMUJFWSA-N 363.379 4.450 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)c(OC)c1 16635502 RNIRXHGXOFGEHR-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB Cc1nc2nc(SCC(=O)c3ccccc3)[nH]c2cc1Br 18178824 VXWGXPUSPLRUSF-UHFFFAOYSA-N 362.252 4.004 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Oc1cc2ccccc2cc1C(=O)OC 24042308 RWOCQMYUVXPYMI-LJQANCHMSA-N 364.397 4.389 0 40 FIAB COc1ccccc1[C@@]1(CCNC(=O)c2ccco2)CCO[C@H](C(C)C)C1 27666558 DIOHBOHOMYPYPX-UNMCSNQZSA-N 371.477 4.181 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)N[C@H](C)[C@H]2CCCO2)cc1C 27893771 HFIBYWVIWWZDCM-CRAIPNDOSA-N 356.491 4.147 0 40 FIAB CCOCc1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1Cl 30519284 RJGKFCUTARNZAZ-UHFFFAOYSA-N 374.289 4.008 0 40 FIAB O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1ccc(Cl)s1 32600090 HKYLJSSVCQCHIH-UHFFFAOYSA-N 371.789 4.143 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccsc1 32800819 LNRDABYMDPTSGB-FQEVSTJZSA-N 350.487 4.448 0 40 FIAB C[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccc2S1 32848532 UPBLXJWIOCXUKJ-ZDUSSCGKSA-N 351.427 4.324 0 40 FIAB CCCCC(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 32942916 HUJALFXINDSJHU-CYBMUJFWSA-N 360.479 4.433 0 40 FIAB O=C(Cc1cccs1)Nc1nnc(-c2ccc(Cl)cc2Cl)o1 35589995 NHSHYYHBDMJKTQ-UHFFFAOYSA-N 354.218 4.286 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@H]1CCN2CCCC[C@H]12 36390369 IUXWWYNSGXOWSA-AYLUNBTKSA-N 370.493 4.310 0 40 FIAB CCc1cc(C(=O)NCC2CC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621602 DJHQTGJUZJIYDK-UHFFFAOYSA-N 360.461 4.000 0 40 FIAB O=C(CSCc1ccc(F)cc1)NCCCc1ccccc1Cl 38771491 WKIGGNKHRBBUQD-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB O=C(NCCCc1nc2ccccc2s1)c1nc(Cl)ccc1Cl 40015932 KJCICRFLJXQNJD-UHFFFAOYSA-N 366.273 4.361 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)s1)c1ccco1 40039852 XOXZDAMMEUNUBF-UHFFFAOYSA-N 352.415 4.186 0 40 FIAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)NC(C)C 44086705 VTUJVMODVRRJLS-UHFFFAOYSA-N 365.502 4.464 0 40 FIAB O=C(NCC1CC1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 45915212 FWLQMYJBRGVFNK-UHFFFAOYSA-N 365.864 4.392 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc2cccnc12 47931354 XMAMEWXUSFSKPQ-UHFFFAOYSA-N 370.456 4.092 0 40 FIAB C[C@@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)Nc1cccc(F)c1 48355505 CWSAALPZSFTAHD-ZIAGYGMSSA-N 370.453 4.146 0 40 FIAB COc1ccc(OC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 49706207 QABNYYINUSKIQO-UHFFFAOYSA-N 360.841 4.424 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(CN(Cc2nc(-c3cccnc3)no2)C2CC2)o1 51183325 PXIXDKHMCISIEW-DYVFJYSZSA-N 350.422 4.013 0 40 FIAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccoc1C 55593557 ITNBHYODPUKACW-OKILXGFUSA-N 354.450 4.267 0 40 FIAB C[C@@H](c1ccccn1)N(C(=O)c1cccc(OCc2cccnc2)c1)C1CC1 57514602 FJYIPHVEVSKBJA-KRWDZBQOSA-N 373.456 4.421 0 40 FIAB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)c1C 57711399 FZYOKYVYMUQYOM-FQEVSTJZSA-N 365.521 4.069 0 40 FIAB C[C@H](NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 58161160 SYXRCHGRDHPCJO-KRWDZBQOSA-N 362.448 4.382 0 40 FIAB Clc1cccc(-c2nc(CSc3nc(-c4cccnc4)n[nH]3)co2)c1 60531796 NQCYRGXELWTQPD-UHFFFAOYSA-N 369.837 4.467 0 40 FIAB CCC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 64296269 UDVRDVSKAULSEU-CQSZACIVSA-N 369.465 4.073 0 40 FIAB Cc1ccc(C)c(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)c1 68049696 SRFRNAZVSVNDDM-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB O=C(NC[C@H](O)c1cccc2ccccc12)c1cccc(Br)c1 70636047 ZRAWXYXCOWNGBX-SFHVURJKSA-N 370.246 4.066 0 40 FIAB C[C@@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)C[C@@H](c2ccccc2)O1 72289353 MKPJZKCXKKGNQF-PXAZEXFGSA-N 354.431 4.093 0 40 FIAB CCOC(=O)Nc1ccc2c(CN3C[C@H]4CCCCC[C@@H]43)cc(=O)oc2c1 75109051 UNEQKNUDZGYHBA-KDOFPFPSSA-N 370.449 4.126 0 40 FIAB O=C(CCc1csc2nc(C3CC3)cn12)NCc1ccccc1Cl 75149101 BBERZAVBTYHZLB-UHFFFAOYSA-N 359.882 4.176 0 40 FIAB Cc1nc(-c2ccc(NC(=O)CCCOc3cccnc3)cc2)cs1 79337528 VCELJWGEFIOQOJ-UHFFFAOYSA-N 353.447 4.311 0 40 FIAB CC(C)c1cc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)n[nH]1 80346364 DBQUBIKYINQRQI-UHFFFAOYSA-N 368.510 4.167 0 40 FIAB CCN1C(=O)C2(CCCCC2)N[C@H]1c1cc2cccc(C)c2nc1Cl 84779871 HXIIWSJZDOSEIH-GOSISDBHSA-N 357.885 4.350 0 40 FIAB Cc1cc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)c2ccccc2n1 96122582 YJCVRMQXDOZOCE-LJQANCHMSA-N 372.428 4.292 0 40 FIAB C[C@H](N[C@H](C)c1ccccc1C(F)(F)F)c1nc2ccccc2c(=O)[nH]1 97001882 XOCHDDDORDXGLI-NEPJUHHUSA-N 361.367 4.354 0 40 FIAB CCCNC(=O)[C@]12CC[C@@](C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C 100528120 ATWQGOUWTPWHOB-VXKWHMMOSA-N 351.494 4.102 0 40 FIAB COc1ccccc1CN(Cc1cccnc1)C(=O)C1[C@H]2CCCC[C@H]12 100773624 AWUPXPWPHACSGA-OALUTQOASA-N 350.462 4.055 0 40 FIAB COCCCNC(=O)CC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 100864059 XQYFAZOHBWWVOA-NAMINWQUSA-N 355.522 4.376 0 40 FIAB CCOc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(OC)cc23)cc1 101170341 VHTVZGVTYHOSDH-FXAWDEMLSA-N 370.474 4.028 0 40 FIAB Cc1cccnc1[C@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)C(C)C 121285626 DFYBLAUOMIAAQU-BPQIPLTHSA-N 373.522 4.320 0 40 FIAB COc1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1OC 205656290 CSFQXAVCFLOTTI-CAOOACKPSA-N 367.445 4.216 0 40 FIAB CC[C@H](C(=O)N(CCc1cccs1)C1CCOCC1)c1ccccc1 206675795 NSOWKMWKMVLATG-FQEVSTJZSA-N 357.519 4.492 0 40 FIAB COc1ccc(CCC(=O)N2CCS[C@@H](c3ccccc3F)CC2)cc1 219104045 WXLMEFFNEYLOEO-HXUWFJFHSA-N 373.493 4.474 0 40 FIAB CN1CCC(Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 219951717 REDDMLSINLPQJG-UHFFFAOYSA-N 350.418 4.158 0 40 FIAB Cc1cc(Br)cnc1NC(=S)N[C@H](C)c1ccccc1 223956600 WNEVUMZUQPYQRX-LLVKDONJSA-N 350.285 4.200 0 40 FIAB CCC[C@@H](C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224889763 PGKKBVNQLBQRSU-GFCCVEGCSA-N 365.271 4.342 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1 225568122 NRGOYHKSEYWZIB-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225611976 IMCKGRUPIIFJCN-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1C 225811081 FBRNZBXGRWAXCG-UHFFFAOYSA-N 373.474 4.373 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 242522385 IQCNQJXIOWBNAT-BWTXDCIASA-N 374.521 4.201 0 40 FIAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(Br)c2)C1=O 409015290 ZIDKMPGRLARHLG-TVNQGELYSA-N 370.268 4.293 0 40 FIAB O[C@@H](CSc1ncnc2sccc12)Cc1ccccc1C(F)(F)F 533551187 XOAVSYLJSMNKMG-LLVKDONJSA-N 370.421 4.406 0 40 FIAB O=C(NCc1nccnc1-c1cccs1)C1(c2cccs2)CCCC1 575621353 VOQQTZBDMFSHRO-UHFFFAOYSA-N 369.515 4.395 0 40 FIAB Cc1nc(CO[C@H]2CCN(c3c(C)cnc4c(C)cccc34)C2)cs1 585083207 AEAWHUZAWPOTBZ-KRWDZBQOSA-N 353.491 4.412 0 40 FIAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1ccc(C(F)(F)F)nc1 585147666 BXRNCGMGSGYJGC-LBPRGKRZSA-N 366.364 4.317 0 40 FIAB C[C@H](NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C)c1ccc(F)cc1 604394415 LKRYXJDRJIYSIA-BOSXTWCSSA-N 354.469 4.269 0 40 FIAB CNc1ccc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1 625931235 QEVJGEJFZKIVDN-CQSZACIVSA-N 370.522 4.475 0 40 FIAB CCOC(=O)c1cc(CC)sc1NC(=O)Cn1c(C)cc2ccccc21 1124612150 HZZYQYMDQNXCGJ-UHFFFAOYSA-N 370.474 4.389 0 40 FIAB Cc1nc(N(C)C)sc1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 1324687324 LMLXXYJWMOGKEH-AWEZNQCLSA-N 370.478 4.026 0 40 FIAB Cc1ccc2nc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)ccc2c1 1566302229 OTOOXZOABIHZJY-UHFFFAOYSA-N 364.355 4.464 0 40 FIAB CCc1c(OC)c(OC)cc(OC)c1-c1oc2ccccc2c(=O)c1OC 2061000709 POHJCUUKQNKOTC-UHFFFAOYSA-N 370.401 4.057 0 40 FIAB O=C(c1ccccc1)[C@H](Cc1ccccc1)[P@](=O)(O)c1ccccc1 1235536 UZOWACUTRGANNK-FQEVSTJZSA-N 350.354 4.077 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccccc1F 1377835 YPDHCYGCTJHXTM-HZPDHXFCSA-N 358.482 4.203 0 40 FIAB CCOCC(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl 2069786 CHZXGNBHSAJHMY-UHFFFAOYSA-N 360.841 4.184 0 40 FIAB CCCCCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 2093714 XRGBGFGTSNVOCR-UHFFFAOYSA-N 355.434 4.395 0 40 FIAB biogenic CCCCCn1c(O)c(C(=O)Nc2ccccc2C)c(=O)c2ccccc21 2271554 RDFNLEIODHBOEU-UHFFFAOYSA-N 364.445 4.458 0 40 FIAB O=S(=O)(NCc1cccs1)c1cc(Cl)c(Cl)cc1Cl 2381015 DNXHYHWZTFWZSP-UHFFFAOYSA-N 356.683 4.187 0 40 FIAB Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cc(Cl)ccc1Cl 3111147 FFCZYCZUVKVDPI-UHFFFAOYSA-N 365.195 4.274 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 3240048 GBNCBYYLOBGMGX-UHFFFAOYSA-N 371.792 4.136 0 40 FIAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 3271109 FNCHGZMRNFBQEB-QMMMGPOBSA-N 374.170 4.456 0 40 FIAB COc1ccc(CNC(=O)CSc2cc(Cl)ccc2Cl)cc1 3378869 GWGUFJFYGATYDR-UHFFFAOYSA-N 356.274 4.411 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cccc(Br)c3)C[C@H]2C)c1 3459549 MRUWGZMUWMGDTK-OAHLLOKOSA-N 373.294 4.108 0 40 FIAB COc1cccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(C)cc3)no2)c1 4717891 YDMPPEXLUPJBKM-SFHVURJKSA-N 363.417 4.031 0 40 FIAB Cc1cccc2c1N(Cc1ccc(OCc3ccccc3)cc1)C(=O)C2=O 5234399 PGCXAXRMJCAQDU-UHFFFAOYSA-N 357.409 4.304 0 40 FIAB Cc1cc(C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)n1C 5655483 HNGKJLJTODCHEG-BQYQJAHWSA-N 365.351 4.100 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 5871323 FIMWFPANCHUYMA-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 5898098 VFZJIEIRTRMZOV-UHFFFAOYSA-N 350.418 4.068 0 40 FIAB O=C(COc1ccc(Cl)c2cccnc12)N1CCCc2ccccc21 6589311 ZMLVBMKJAFHBGP-UHFFFAOYSA-N 352.821 4.246 0 40 FIAB C[C@H](Sc1ncc(-c2ccccc2)n1C)c1nc2ccccc2c(=O)[nH]1 7130582 REEAVEQNMUQIJA-ZDUSSCGKSA-N 362.458 4.177 0 40 FIAB Cc1nc2ccccc2n1CC(=O)N[C@H](c1ccccc1)c1cccs1 7220873 STTKMXQQPWKESA-OAQYLSRUSA-N 361.470 4.312 0 40 FIAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 7910224 ABFHSXSGZXSBAI-MRXNPFEDSA-N 355.438 4.211 0 40 FIAB COc1ccccc1-n1cnnc1SCCOc1cccc(Cl)c1 8128834 VRRPICXYCAPWTF-UHFFFAOYSA-N 361.854 4.100 0 40 FIAB C[C@H](CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1 8327790 QGVASMJNBIMJNV-QGZVFWFLSA-N 350.462 4.445 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)N[C@@H](C)c3cccs3)c(=O)oc2c1 8735554 MACYZIVEGHXMDI-AWEZNQCLSA-N 355.459 4.281 0 40 FIAB CCc1nnc(NC(=O)Cc2csc(-c3ccc(C)cc3C)n2)s1 9049034 PPTZBROKVADEGY-UHFFFAOYSA-N 358.492 4.022 0 40 FIAB COc1ccc(C)cc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620659 PFLMBAAIVKTIDG-UHFFFAOYSA-N 373.884 4.308 0 40 FIAB O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1ccc2[nH]cnc2c1 12786868 OCBONMDFNMRJOC-UHFFFAOYSA-N 370.384 4.141 0 40 FIAB O=C(c1csc(COc2ccc(F)cc2)n1)N1CCc2ccccc21 12822981 HRXDNBQCIRYXBX-UHFFFAOYSA-N 354.406 4.064 0 40 FIAB CCOc1ccc(Oc2ccc(NC(=O)[C@H](C)n3cccn3)cc2)cc1 12849874 IPTZDQXNSRZHTR-HNNXBMFYSA-N 351.406 4.274 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 14181545 LXEPHIAOKCZLAK-QGZVFWFLSA-N 373.449 4.151 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1c(F)cccc1Cl 14202211 WGENMNPAJNUESM-UHFFFAOYSA-N 374.847 4.385 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 14404407 GLMRHIISEPYDEJ-UHFFFAOYSA-N 368.824 4.185 0 40 FIAB Cc1ccc2cc3c(nc2c1)N(C(=O)COc1ccc(Cl)cc1)CC3 15841935 CMDJIROYVFGVSA-UHFFFAOYSA-N 352.821 4.165 0 40 FIAB Cc1cc(C)cc(Nc2nc(N(C)C)nc3c2cnn3-c2ccccc2)c1 17010807 RZEOCGFOIAVTFB-UHFFFAOYSA-N 358.449 4.242 0 40 FIAB CCCOc1c(Cl)cc(C(=O)Nc2nc3ccccc3[nH]2)cc1OC 17303795 LGUKEDXZJJYTLG-UHFFFAOYSA-N 359.813 4.266 0 40 FIAB CC(C)n1c([C@@H]2CCCN(Cc3cnn4cccnc34)C2)nc2ccccc21 19715809 ZUUPJHVDKFAVMI-QGZVFWFLSA-N 374.492 4.040 0 40 FIAB Cc1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 20028451 CSQQZARNWVSXGI-UHFFFAOYSA-N 370.496 4.483 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1C 20143835 ZPSHXDUSAWRLSG-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB CCN(CC(=O)Nc1cccc2ncccc12)Cc1ccc(Cl)s1 21300703 VBDLBHOKCMUPRJ-UHFFFAOYSA-N 359.882 4.410 0 40 FIAB COc1cc(C(=O)NCCSCc2ccsc2)ccc1OC(F)F 21631433 FGPMAMAIKHLFEY-UHFFFAOYSA-N 373.446 4.021 0 40 FIAB CC(C)c1ccccc1NC(=O)CNC[C@@H](c1ccco1)N1CCCCC1 22038321 MFQMWSOJCNDQOP-FQEVSTJZSA-N 369.509 4.158 0 40 FIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 22516000 MFWJRPRPQLHPME-GFCCVEGCSA-N 364.239 4.172 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cnc2ccccc2n1 23055101 ZXDNHHYMWMMYPU-UHFFFAOYSA-N 361.401 4.314 0 40 FIAB COc1ccc(CSCC(=O)NCCSc2ccc(C)cc2)cc1 24605867 QHVMQYWBPXFUFH-UHFFFAOYSA-N 361.532 4.145 0 40 FIAB CC[C@H](C)[C@@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccccc1 24830902 PJBZUHLRYOTGLJ-IFXJQAMLSA-N 359.491 4.167 0 40 FIAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc2c(c1)OCO2 27686052 OHUADLRKSWDYAR-ZDUSSCGKSA-N 360.413 4.332 0 40 FIAB COCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 27979751 QBIAVHXHAOLUKO-UHFFFAOYSA-N 360.413 4.191 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 30859303 WZRQSVKWXFBTAY-INIZCTEOSA-N 374.440 4.373 0 40 FIAB CCc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)cs2)cc1 31788555 ARRYHZSCUFJJEV-UHFFFAOYSA-N 353.472 4.192 0 40 FIAB CN(C)C1(CNC(=O)c2occc2COc2ccccc2)CCCCCC1 32703766 IJMHOKHMNWEDJX-UHFFFAOYSA-N 370.493 4.243 0 40 FIAB CCOCc1c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)oc2ccccc12 32738334 QGNBGJGRZQIFQO-ZDUSSCGKSA-N 363.417 4.337 0 40 FIAB COc1ccc(OC)c(CCC(=O)Nc2cc(Cl)cc3cccnc23)c1 32753687 NTBPIKJCSSDWBT-UHFFFAOYSA-N 370.836 4.477 0 40 FIAB COC[C@H](C)NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 32841452 IALSLNFXEOPMIW-LBPRGKRZSA-N 353.340 4.262 0 40 FIAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(F)cc3C)cc2)n1 32902039 BBROSWBEYNUEHK-UHFFFAOYSA-N 357.410 4.370 0 40 FIAB O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CN1CCCCC1 33326302 HNASYEZBGPIUBX-ZSOIEALJSA-N 371.289 4.473 0 40 FIAB Cc1cc(C)n2nc(Nc3ccccc3)c(NC(=O)c3ccccc3)c2n1 35671260 AEWXCXMVKDQSLP-UHFFFAOYSA-N 357.417 4.342 0 40 FIAB CCn1cc(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cn1 48272226 UPHIXZARBPXSDY-UHFFFAOYSA-N 365.462 4.173 0 40 FIAB CC(C)Cc1nc(C(=O)Nc2cccc(CN3CCCCC3=O)c2)cs1 50473706 NKMGHWKLSAHJLR-UHFFFAOYSA-N 371.506 4.106 0 40 FIAB COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1N 57340393 IAAWHPVTFIWVNH-UHFFFAOYSA-N 371.234 4.445 0 40 FIAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccs2)no1 58094501 VMAATPHBJQUVCA-UHFFFAOYSA-N 355.463 4.494 0 40 FIAB CCOC(=O)c1oc2ccccc2c1CNC(=O)Nc1ccc(F)cc1 69352147 OUBPPERMJXZDMJ-UHFFFAOYSA-N 356.353 4.070 0 40 FIAB CC(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1cccc2nccnc12 72314717 GILPOQANYWISMD-INIZCTEOSA-N 350.447 4.025 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NC2CCC(C)CC2)cc1Cl 72329308 PGIREKYSNZEHMP-UHFFFAOYSA-N 361.873 4.437 0 40 FIAB O=C(NCc1ccccc1)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1 72391922 KTZHGSQCBAQQII-VWLOTQADSA-N 370.496 4.192 0 40 FIAB C[C@@H](c1ccccc1F)N(C(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 75094252 GWLKWGUCHCQWBE-WMLDXEAASA-N 354.425 4.064 0 40 FIAB CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@H]3CC(=O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@]21C 78584777 WDXFAOOXKQDOOG-MTGXMPEXSA-N 374.521 4.345 0 40 FIAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)Cc1c(C)noc1C 78708696 SSZZAUCQNNDXLG-UHFFFAOYSA-N 360.845 4.407 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100076098 RDDOMPLINKUVSR-AHCXZYCDSA-N 373.374 4.497 0 40 FIAB COc1ccc(C)cc1CN1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100765406 NAOKACACPUFDLI-PMACEKPBSA-N 355.453 4.157 0 40 FIAB C[C@H]1CN(CC(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 106922530 ZILRSSYPLXJXMK-SCLBCKFNSA-N 359.267 4.081 0 40 FIAB Cc1nc(CN2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)oc1C 107495678 HGTFNUHERUNCJK-DLBZAZTESA-N 363.502 4.045 0 40 FIAB Cc1nc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)c(C)s1 178872420 BBSCSAFOWSYSIA-QGZVFWFLSA-N 356.491 4.418 0 40 FIAB Cc1nc(-c2ccccc2NC(=O)c2cc(=O)[nH]c3ccccc23)cs1 208009982 WEUKNWJRMTUGJO-UHFFFAOYSA-N 361.426 4.212 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 216465480 NDXSHBXZWUGSEO-HNNXBMFYSA-N 363.841 4.462 0 40 FIAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 222834324 CQAQDCIJWMTCRR-OAHLLOKOSA-N 369.486 4.450 0 40 FIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1C 223944498 PBCSFSCXGXGFNX-SFHVURJKSA-N 355.478 4.389 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccc3ccccc3c2)cc1Cl 224183536 SZQLPMUKBAXUJB-UHFFFAOYSA-N 369.848 4.376 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)c(Cl)c1Cl 224612045 BAYXAVSGVBLOEP-UHFFFAOYSA-N 374.289 4.444 0 40 FIAB CCCc1ccc(OCCNC(=O)CCc2nc3cc(C)ccc3o2)cc1 224947844 IZSQKHVSOODTQY-UHFFFAOYSA-N 366.461 4.217 0 40 FIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSC3CCCC3)cc2)C1 225375644 GJUYQRULALBSNV-QGZVFWFLSA-N 360.567 4.324 0 40 FIAB CC(=O)N[C@]1(C)C[C@H](c2ccc(-n3cccn3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257341312 ZJUTUMITNMYUCK-FYRSZQHNSA-N 367.493 4.033 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 408708990 WALHSVXZSZCDKD-XEVCZEQESA-N 370.537 4.146 0 40 FIAB CN1C(=O)S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C1=O 408816136 IXDUOBNRQQIGDI-JYRVWZFOSA-N 364.220 4.375 0 40 FIAB Cc1cc(NC(=O)c2ccnn2C2CCCC2)cnc1N1CCCC[C@@H]1C 504841228 BYLYBEHOWGVXHL-INIZCTEOSA-N 367.497 4.333 0 40 FIAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1n[nH]c(C2CCC2)n1 524734580 SCSFZZGLEICDLA-INIZCTEOSA-N 369.856 4.145 0 40 FIAB O=C(O)c1sccc1CN1CCC(c2nc3ccccc3s2)CC1 572654144 ZZUNHUHFYOZXQG-UHFFFAOYSA-N 358.488 4.436 0 40 FIAB COc1cccc(NC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)c1 575443416 DVMOVYLRJBMODU-QGZVFWFLSA-N 370.478 4.187 0 40 FIAB O=C(NCc1ccccc1CC(F)(F)F)Nc1ccc2c(c1)CCC2=O 626575676 DBCJFBRYDFPKRI-UHFFFAOYSA-N 362.351 4.242 0 40 FIAB CS(=O)(=O)c1ccc(CSc2nc(-c3ccc(F)cc3)cs2)o1 1643395893 RYRROQXNVOPWIJ-UHFFFAOYSA-N 369.464 4.238 0 40 FIAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1cccs1 852988 FHTJCERXDAPPNA-UHFFFAOYSA-N 352.415 4.261 0 40 FIAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(=O)OC)cc1 939531 NNRSAQGWAPWRSM-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB CC(C)OC(=O)CSc1nc(Cc2cccs2)nc2ccccc12 1342831 XHTBHDMKIJBMQF-UHFFFAOYSA-N 358.488 4.326 0 40 FIAB COC(=O)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)OC 1556553 NRXCHRCWWCBBHT-UHFFFAOYSA-N 355.777 4.128 0 40 FIAB CC[C@H](C)NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2095905 VVEXRDHGJASLNM-NSHDSACASA-N 355.434 4.312 0 40 FIAB biogenic O=C1N[C@@H](c2c(Cl)cccc2Cl)Nc2c1cnn2-c1ccccc1 2236985 XOGRRGRVFAARLU-HNNXBMFYSA-N 359.216 4.033 0 40 FIAB Cc1cccc2cc3c(NC(=O)c4ccccc4Cl)nn(C)c3nc12 2419847 MFKCDGMQMFZGPI-UHFFFAOYSA-N 350.809 4.336 0 40 FIAB CCn1cc(-c2cc(C(=O)Nc3cc(C)ccn3)c3ccccc3n2)cn1 2806856 KRONYLIIJHNINU-UHFFFAOYSA-N 357.417 4.074 0 40 FIAB O=C(CSc1ncnc2ccccc12)Nc1cccc(Br)c1 3288037 PULJIQMGLYHECO-UHFFFAOYSA-N 374.263 4.123 0 40 FIAB CC(C)NC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 4435127 QIPDKRAIXLMYDU-UHFFFAOYSA-N 352.478 4.216 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nnc(C)n1-c1ccc(C)cc1 4835864 GKIQLSURJSTBPS-UHFFFAOYSA-N 367.474 4.388 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCc3ccccc32)cc1 6085276 GCIUFBWDGBAEIQ-UHFFFAOYSA-N 362.429 4.002 0 40 FIAB CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 6359391 XLPWFRSIUXBKOP-UHFFFAOYSA-N 365.764 4.035 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(C)cc1 6753236 JFEXDHXYBXOVMJ-NRFANRHFSA-N 361.445 4.354 0 40 FIAB O=C(COc1ccccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 7168159 WONCHTHEVDLSPB-UHFFFAOYSA-N 370.836 4.266 0 40 FIAB Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1ccc(F)cc1F 7615909 VHIMJPGJMCYMLY-UHFFFAOYSA-N 373.750 4.224 0 40 FIAB CSc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 8049576 KUNYHMKIVMAOQA-LJQANCHMSA-N 352.459 4.311 0 40 FIAB CC[C@@H](Sc1ncnc2sc(C)c(C)c12)C(=O)Nc1cc(C)on1 9450009 AMTSLFQOOFHUCH-LLVKDONJSA-N 362.480 4.114 0 40 FIAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](c1ccco1)C3 10156957 ZTADERDVRREGEG-OAHLLOKOSA-N 372.428 4.420 0 40 FIAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccccc1 11612206 VVBMTVNOMPEXIO-UHFFFAOYSA-N 351.427 4.383 0 40 FIAB O=C(NCc1ccc(-c2ncncc2-c2ccncc2)cc1)C1CCCC1 12256637 KGLAEPWRYWMQNQ-UHFFFAOYSA-N 358.445 4.012 0 40 FIAB COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)CC(C)C 12296465 BLADMDLWMKWBGE-UHFFFAOYSA-N 351.402 4.453 0 40 FIAB biogenic O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)[C@H]1CCCO1 12538477 CXILGFAFZKGSSP-OAHLLOKOSA-N 367.474 4.288 0 40 FIAB COc1ccc2cc(CN(C)CCC(=O)Nc3ccccc3F)ccc2c1 12793974 LXBYPDODFPTCHK-UHFFFAOYSA-N 366.436 4.448 0 40 FIAB C[C@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C[C@@H](C)O1 12816707 RCUIPEGQWTXKNY-TXEJJXNPSA-N 353.340 4.215 0 40 FIAB O=C1CCCN1c1ccc(/C=C/C(=O)N(Cc2ccccc2)C2CC2)cc1 12920261 IQZKGKXSDXDNHT-XNTDXEJSSA-N 360.457 4.018 0 40 FIAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)cc1 12926558 HCWAKIFKLYLIKU-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)N[C@H]3CCc4ccccc43)c2C1 14184103 TVGUHRRXUJCBRM-NRFANRHFSA-N 371.484 4.030 0 40 FIAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N(C)Cc3ccco3)cc12 14245280 JGPJFDIANNHAGK-UHFFFAOYSA-N 365.458 4.320 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NCc1ccccc1OC(F)(F)F 14254650 BBZPLTVSCQABNH-UHFFFAOYSA-N 361.722 4.237 0 40 FIAB Cc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 15389390 CYNRQKKNOJRFCO-UHFFFAOYSA-N 373.250 4.358 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c(C)c1 15520082 ZOEYRRYMDDYYDQ-UHFFFAOYSA-N 367.474 4.002 0 40 FIAB CSc1ccc(CN(C)[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 16623484 VEGZKGJMDIAKHJ-CQSZACIVSA-N 356.491 4.070 0 40 FIAB Fc1ccc(CNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17150072 PODZNUKIECXGME-UHFFFAOYSA-N 353.788 4.220 0 40 FIAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN2Cc2ccnn2C)n1 19691991 ZMSHCSFFANIVCW-QFIPXVFZSA-N 364.468 4.191 0 40 FIAB Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797813 WGVOYTADRAEKHC-UHFFFAOYSA-N 371.444 4.475 0 40 FIAB CCOC(=O)Nc1cccc(OCC(=O)N(c2ccccc2)C(C)C)c1 20863133 XYWZMFFKCYBIGR-UHFFFAOYSA-N 356.422 4.075 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cc(-c2cccs2)on1 22066801 RFVHUSGRSIQLHM-UHFFFAOYSA-N 368.439 4.265 0 40 FIAB CCc1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1-c1cccc(Cl)c1 24475671 RFUVLIJEPLNSMI-UHFFFAOYSA-N 369.808 4.069 0 40 FIAB Oc1nc(CN(Cc2ccccc2F)C2CC2)nc2cc(Cl)ccc12 24601869 ORSYCTLWVUXGMM-UHFFFAOYSA-N 357.816 4.293 0 40 FIAB C[C@@H](NCc1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 25356118 DADZPOFIDZMKLN-CQSZACIVSA-N 356.267 4.486 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)c1cccs1 27313930 OFPRGEXWOLBTRE-CYBMUJFWSA-N 356.447 4.423 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1ccc(C)cc1 28292194 DOOYHDXHTRKTOB-GOSISDBHSA-N 367.424 4.175 0 40 FIAB COc1cccc(COc2ncnc3c2sc2nc(C)cc(C)c23)c1 28616920 FJPLUJZAOHOYHX-UHFFFAOYSA-N 351.431 4.444 0 40 FIAB NC(=O)c1cc(Cl)ccc1OCc1ncc(-c2cccc(Cl)c2)o1 29464071 OKAOYGGBRIVWEH-UHFFFAOYSA-N 363.200 4.326 0 40 FIAB Cc1nc(Cc2nc(-c3ccc4c(c3)CCCC(=O)N4)cs2)cs1 30447146 XOZCVXSFUHNHAR-UHFFFAOYSA-N 355.488 4.441 0 40 FIAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 32610156 SYIDIEGERBJKEQ-INIZCTEOSA-N 359.425 4.425 0 40 FIAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(C(F)(F)F)c1 32691389 TUOKKBWHIRBUMX-MRXNPFEDSA-N 365.351 4.093 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1 32771654 JKDJAWQPKNPBKF-HNNXBMFYSA-N 351.450 4.091 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N1CCC(C)CC1 39486887 KVQWNUPGCSUMLS-OAQYLSRUSA-N 352.478 4.497 0 40 FIAB Cc1nc(CSc2ccccc2C(=O)NCCC2=CCCCC2)no1 40051330 AEMUOXBFJWMVSV-UHFFFAOYSA-N 357.479 4.291 0 40 FIAB O=c1[nH]c(N2CCc3ccccc3C2)nc2c(-c3ccccc3)csc12 44169279 UEMYAEGZGDCGJU-UHFFFAOYSA-N 359.454 4.214 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCCCCN2CCC[C@@H](C)C2)c1 46991131 UCFYMDOEGRIWPB-CQSZACIVSA-N 354.947 4.304 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCCC1 48651945 HSBBZRRFNLKCIX-UHFFFAOYSA-N 366.461 4.043 0 40 FIAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1cc(F)cc(F)c1 51364514 OBIOIPISLCUCEJ-QGZVFWFLSA-N 366.367 4.123 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 57412554 YRXXNPWTYUTGQY-UHFFFAOYSA-N 369.808 4.159 0 40 FIAB Cc1nnc(CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)n1C 58155909 QKSQHUDPXDAQOP-UHFFFAOYSA-N 368.510 4.044 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2noc(-c3cccs3)n2)cc1OC 58324618 SMQUNJSSELXRND-CQSZACIVSA-N 371.462 4.152 0 40 FIAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cc2ccccc2[nH]1 58428452 CEGKGGSBUWJUTA-HXUWFJFHSA-N 367.880 4.388 0 40 FIAB O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc(F)ccc2F)cc1 63950599 BBFDCQIYCKVGRB-UHFFFAOYSA-N 352.340 4.469 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1nccc2ccccc12 65607273 HAXRRIBIRXDOPG-OALUTQOASA-N 350.393 4.024 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1nccc2ccccc12 65607276 HAXRRIBIRXDOPG-RBUKOAKNSA-N 350.393 4.024 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccnc2N2CCSCC2)o1 70007416 OBROBMPCVIWCND-YOFOWSBGSA-N 369.490 4.003 0 40 FIAB CC(=O)N1C[C@@H](C)CN(Cc2ccc(F)c3cccnc23)c2ccccc21 76093287 FCQNOTQDQYXCCC-HNNXBMFYSA-N 363.436 4.383 0 40 FIAB O=C([C@@H]1CCCc2ccccc21)N1CCC(c2c[nH]c3ncccc23)CC1 76332115 RMKMYBPTRBSDIN-HXUWFJFHSA-N 359.473 4.389 0 40 FIAB O=C(NCCc1ccc(C(F)(F)F)cn1)c1ccccc1C(F)(F)F 90624374 PQVYQOJTCQJZNU-UHFFFAOYSA-N 362.273 4.092 0 40 FIAB Cc1ccc(C)c(OCCc2nnc(NC(=O)c3ccccc3)s2)c1 95116419 KMUSCEVEXPHZPB-UHFFFAOYSA-N 353.447 4.029 0 40 FIAB CC[C@H]1C[C@H](C(=O)N2CCCc3cc(C)c(Br)cc32)CCO1 96002133 RTNRLUZSFPUCHK-CABCVRRESA-N 366.299 4.242 0 40 FIAB CC[C@H]1COCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 96013699 JCWZCSAFBGCGSA-ZDUSSCGKSA-N 351.855 4.335 0 40 FIAB COc1cccc(C2=N/C(=C/C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)c1 96935641 OYTWVZDLVZIEPB-CAOOACKPSA-N 367.788 4.012 0 40 FIAB CN(C)c1ccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 97549944 KJSGZMRURHQUOQ-QURGRASLSA-N 361.470 4.200 0 40 FIAB Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)cc1 107683293 RVEKBZUPGCSSGS-UHFFFAOYSA-N 367.396 4.023 0 40 FIAB Cc1cnn([C@@H]2CCCN(C(=O)c3sc(C)nc3-c3ccccc3)C2)c1 171824541 FUHSGLFQHJPBIA-QGZVFWFLSA-N 366.490 4.101 0 40 FIAB C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)C1 216104269 RIZLTNBPSMVXHG-ZMRAKXQBSA-N 361.489 4.417 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(C)c1 218961620 NNYKWLFZXBKHHA-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB CCSc1ccccc1C(=O)NCCCc1ccc(OC)c(OC)c1 219649037 PGNDAFQCMSUZPK-UHFFFAOYSA-N 359.491 4.178 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 222866711 RXERFMVOMMZRBU-RTBURBONSA-N 369.461 4.271 0 40 FIAB COc1ccc(OCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223262082 KKORBSSSYSEMIN-MRXNPFEDSA-N 371.477 4.392 0 40 FIAB COc1cccc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225152541 CBBDWLYITINPRE-KRWDZBQOSA-N 371.477 4.090 0 40 FIAB COC(=O)c1cc2cc(NC(=S)NCc3ccccc3)ccc2s1 225212362 SMHFWFCLNXBBHU-UHFFFAOYSA-N 356.472 4.175 0 40 FIAB CC(C)CSc1nnc(NC(=O)c2ccc(Br)cc2)s1 225740763 LPGSFABAFOMWON-UHFFFAOYSA-N 372.313 4.301 0 40 FIAB COc1ccccc1-c1noc(C)c1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 252013829 UMHHMTLZIXLVEC-NZUILWFCSA-N 354.450 4.213 0 40 FIAB S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)NC1CC1 408980102 UVKJHTMJYKDQPE-UHFFFAOYSA-N 374.473 4.069 0 40 FIAB O=C1CC[C@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)c2ccccc21 585080932 XWDAXEDEIPYDQP-HNNXBMFYSA-N 365.820 4.225 0 40 FIAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(c2nccc3sccc23)CC1 585083866 FCRDQPRABQDNIZ-AWEZNQCLSA-N 370.522 4.465 0 40 FIAB O=C(NC1CCC(n2cccn2)CC1)NC(c1ccccc1)c1ccccc1 618255914 ALFQGJXRLHOZGE-UHFFFAOYSA-N 374.488 4.456 0 40 FIAB O=C(NCC(c1ccco1)c1ccco1)NC12CC3CC(CC(C3)C1)C2 675007813 SCQBDVIVCISLPR-UHFFFAOYSA-N 354.450 4.273 0 40 FIAB Cc1c(C(=O)Nc2ccc(COc3ccccc3)cc2)ccc2cncn12 1320259416 BMMIYNHBODCZLI-UHFFFAOYSA-N 357.413 4.474 0 40 FIAB Cn1c(Cn2ccc3ccccc32)nc2cc(NC(=O)c3ccco3)ccc21 31817599 UCUYASLUOCXBTC-UHFFFAOYSA-N 370.412 4.422 0 40 FIAB Cc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1C 2466965 MESTVCXKNRFFET-UHFFFAOYSA-N 363.442 4.087 0 40 FIAB Cc1cccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)c1 2441205 UKSICJGGDXHQGP-UHFFFAOYSA-N 350.447 4.166 0 40 FIAB Cc1ccc([C@H]2SC[C@@H]3C(=O)N(c4cccc(C)c4C)C(=S)N32)cc1 36612377 CPBGECDEMFSZFP-IEBWSBKVSA-N 368.527 4.360 0 40 FIAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 624892 MDJRZSNPHZEMJH-JSDYAUHVSA-N 374.521 4.059 0 40 FIAB COc1cccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1OC 45717114 GHWVYTMWGHDBPQ-UHFFFAOYSA-N 373.412 4.295 0 40 FIAB Nn1c(SCc2cccc(Br)c2)nnc1C1CCCCC1 2394431 KWHZSHSQORCUBX-UHFFFAOYSA-N 367.316 4.094 0 40 FIAB CCOc1ccc(OCCCC(=O)Nc2ccc(F)c(F)c2F)cc1 2647426 PCIUKFSXMVRQSD-UHFFFAOYSA-N 353.340 4.300 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(OC(F)F)cc3s2)cc1 2803592 JNAIODOEQHTWML-UHFFFAOYSA-N 370.402 4.007 0 40 FIAB CCCCCCC1=NN(C(=O)Cc2ccccc2)[C@@](O)(C(F)(F)F)C1 4942620 VRRNSALURJNCMA-KRWDZBQOSA-N 356.388 4.039 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(OC)cc1Cl 6175246 HPECVJOMCMEKPG-JTQLQIEISA-N 370.232 4.417 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1 6323339 ZBVRYCAPUBWMQR-UHFFFAOYSA-N 367.405 4.217 0 40 FIAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(-c2ccc(F)cc2)s1 32531543 URCJDKSQXKAQRM-OAHLLOKOSA-N 369.417 4.124 0 40 FIAB CSc1ncccc1C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1 16967140 UHBGGKRJLQEJDT-INIZCTEOSA-N 354.479 4.197 0 40 FIAB CC(C)c1csc(NC(=O)Cc2csc(Cc3ccccc3)n2)n1 32914367 QCAUNESLQVWGQK-UHFFFAOYSA-N 357.504 4.495 0 40 FIAB CCCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F 2721528 XKMSHQBIMPCGQM-UHFFFAOYSA-N 353.441 4.073 0 40 FIAB O[C@H]1c2cc3ccccc3nc2SC2=NC(c3ccc(Cl)cc3)=N[C@H]21 103642249 RZOWQNVKVVXICL-HOTGVXAUSA-N 365.845 4.255 0 40 FIAB Fc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 2914601 FMENOEMEXAGYRR-HZPDHXFCSA-N 373.229 4.326 0 40 FIAB O=[S@@](CCSc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 54465372 PODZJRPFMNNFLT-XMMPIXPASA-N 370.421 4.482 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1ccccc1F 100424830 UOZHKRXQVIKEEN-OALUTQOASA-N 370.443 4.280 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cl)cn1)n1c(C(F)(F)F)nc2ccccc21 1399289 GUORXQIHQDVKED-SECBINFHSA-N 368.746 4.303 0 40 FIAB Fc1cc(NC(=S)N2CCN(c3ccccc3F)CC2)ccc1Cl 1452070 WAAJHKGIHLNVFM-UHFFFAOYSA-N 367.852 4.137 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C 25331366 RMADLLHHSAQSQX-LRDDRELGSA-N 368.955 4.301 0 40 FIAB CC(=O)Nc1ccc(NC(=S)N2CCCCC[C@@H]2c2ccncc2)cc1 44082744 VSCIPYNSULSJRG-LJQANCHMSA-N 368.506 4.354 0 40 FIAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NCC(C)C)cc12 17127269 LFRYBNKUAMSQNI-UHFFFAOYSA-N 361.898 4.494 0 40 FIAB Cc1nc(Cc2nnc(SCCCc3nc4ccccc4o3)o2)cs1 57985234 BDIYZYVAJIEAAO-UHFFFAOYSA-N 372.475 4.291 0 40 FIAB CCc1ccc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 2090950 XSPQHEVHTHXXDQ-UHFFFAOYSA-N 365.429 4.298 0 40 FIAB biogenic CCn1ncc2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc21 58438592 DPZFLEQKVBFHEQ-UHFFFAOYSA-N 361.401 4.481 0 40 FIAB Cc1cc2oc(=O)cc(C[P@](=O)(O)CCc3ccccc3)c2cc1C 36369862 NLQRYISINFJZLO-UHFFFAOYSA-N 356.358 4.423 0 40 FIAB biogenic Cc1ccccc1-n1ncc(C(=O)Nc2c(F)cccc2NC2CC2)c1C 174494820 BCAGOEYMCWTPKW-UHFFFAOYSA-N 364.424 4.455 0 40 FIAB Cc1csc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)n1 2371888 UNNGAMBVYPRNFT-UHFFFAOYSA-N 372.397 4.223 0 40 FIAB O=C(COc1cccc(F)c1)N1CC=C(c2c[nH]c3ccccc23)CC1 11072247 AFLDQRHOTMGHCR-UHFFFAOYSA-N 350.393 4.002 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCCCCC2)nc1 48261562 CUCWQQRXSQRPRD-QGZVFWFLSA-N 369.534 4.259 0 40 FIAB Cc1ccc([C@@H](C)N(C)C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)s1 63810825 GVQDOKTXWDHJCW-SNVBAGLBSA-N 359.476 4.201 0 40 FIAB COC(=O)c1ccccc1N(C)C(=O)Cc1coc2cc(C)cc(C)c12 27232874 UMMPBZMEMIITDM-UHFFFAOYSA-N 351.402 4.042 0 40 FIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccn1 8714683 GCAQUUUJTLFFDO-UHFFFAOYSA-N 354.859 4.023 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 14249894 WQWYVIXELUUEQX-INIZCTEOSA-N 370.518 4.095 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(Cl)cc1N 5417020 IMCKYUQJVSZKCA-SUYBPPKGSA-N 367.873 4.083 0 40 FIAB C[C@H]1CCCCN1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 6543306 OZPRRBHHWLDFSA-LBPRGKRZSA-N 365.549 4.156 0 40 FIAB COc1cc(C(=O)Nc2ccccc2N2CCCC2)ccc1OC(F)F 18839458 QYJZOXAICNOXLD-UHFFFAOYSA-N 362.376 4.149 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(-c3ccco3)nnc2s1 4938865 IENVPPBBHATBMJ-UHFFFAOYSA-N 360.826 4.413 0 40 FIAB COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1OC 15658373 YFNQTOBXKXEKNN-UHFFFAOYSA-N 363.417 4.019 0 40 FIAB Cc1nc(-c2cccs2)c(CC(=O)N2CCc3ccccc3C2)s1 15840088 NRTDDXFAHKOEJC-UHFFFAOYSA-N 354.500 4.307 0 40 FIAB Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)sc2ccccc12 16173327 IHYMTMVMUPUGHA-UHFFFAOYSA-N 350.443 4.354 0 40 FIAB O=C(OC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cnco2)cc1 89834887 YMDPQGYEGUQFNI-SFHVURJKSA-N 362.429 4.021 0 40 FIAB Cc1ccccc1CNC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329085 ZGJJRDZKLPAYBP-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@H]2c2cccc(F)c2)n1 97477258 XGHGBQWSTAOGLJ-ZDUSSCGKSA-N 354.351 4.042 0 40 FIAB COCc1cccc(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)c1 95956552 WJZQMIVJDLFWDP-UHFFFAOYSA-N 361.445 4.457 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C(F)(F)F)c(C)c1 27974997 WIKQODASKAPDTJ-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB CCn1c(CC(C)C)nnc1SCc1cc(=O)c2c(C)ccc(C)c2[nH]1 21098915 RJHYOMGRPDLWHH-UHFFFAOYSA-N 370.522 4.247 0 40 FIAB COc1ccc(CNC(=O)c2ccc(COc3ccc(F)cc3F)o2)cc1 27983745 LIRLSDZQJOXPOK-UHFFFAOYSA-N 373.355 4.075 0 40 FIAB CCCSC1=NC(C)=C(C(=O)OCC)[C@H](c2ccccc2OCC)N1 408986764 DMLUQIIQXILQKU-KRWDZBQOSA-N 362.495 4.066 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 408627107 KFRVJBHLXBMUTP-CQSZACIVSA-N 371.481 4.331 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)c(C)c1 219527565 BOXVGYIQJOGTRT-INIZCTEOSA-N 361.482 4.259 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1C 31704445 RIRFPFRVGISDKG-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(C)=O 72214773 KFMGRYCXHCZXHY-QGZVFWFLSA-N 361.486 4.307 0 40 FIAB COC(=O)c1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1Cl 31055466 YOUUVOWKAWPFSU-UHFFFAOYSA-N 361.825 4.268 0 40 FIAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 72390695 SDMRHNLLXDZHTD-FQEVSTJZSA-N 358.445 4.214 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)cc1 32832173 VNYBEUHFPWAMLR-UHFFFAOYSA-N 362.429 4.484 0 40 FIAB COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)C4CC4)C3)c2)c1 72370054 DGJUGNXYEWKLQK-SFHVURJKSA-N 350.462 4.182 0 40 FIAB Cc1cc(C)n(CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)n1 46370557 OLBZMTNIPYJYBI-HXUWFJFHSA-N 353.853 4.059 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223658672 RLXOSCNIRMPYKY-FQEVSTJZSA-N 355.478 4.337 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225622551 VDVACSQWQGOLKT-UHFFFAOYSA-N 350.434 4.283 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCC1 225656949 IUYICZSJDVGACX-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(F)cc1C 225598531 YAWVCMMNZSUKBN-MRXNPFEDSA-N 363.454 4.023 0 40 FIAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(Oc5ncccn5)c4)OCC[C@@]3(C2)[C@@H]1O 257276008 NRZPHSQEGTWQSE-HPKPQTJESA-N 366.461 4.144 0 40 FIAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)cc4)OCC[C@@]31C2 257330812 XQEJWAGKHZWFJU-CSSXWCHRSA-N 371.521 4.494 0 40 FIAB Cc1nc(C2CCN(C(=O)c3c[nH]c(C(F)(F)F)c3)CC2)sc1C 655188991 CMYFRZNQLKJVOE-UHFFFAOYSA-N 357.401 4.127 0 40 FIAB COC1CCN(c2ccc(NC(=O)NCCCc3ccccc3)cc2)CC1 96104521 VCLXJXVVPKMULB-UHFFFAOYSA-N 367.493 4.056 0 40 FIAB COc1cc(/C=C/C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1OC(C)C 959392 SYLMEPZTSXFAIJ-VQHVLOKHSA-N 374.462 4.102 0 40 FIAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)c(Cl)c1 5814029 DQAZCNCTMXKEAJ-UHFFFAOYSA-N 370.217 4.367 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 5199107 MWYACYSWHFXLPF-INIZCTEOSA-N 354.450 4.092 0 40 FIAB CC(=O)[C@@H]1SC2=NC3=C(CCCC3)[C@@H](c3ccc(Cl)cc3)N2C1=O 5379109 PGCXVMRPCRCHNS-CVEARBPZSA-N 360.866 4.112 0 40 FIAB CCc1cccc(C)c1NC(=O)CNc1cc(OC)c(OC)cc1Cl 11099101 MYGYCBDHZMYMCY-UHFFFAOYSA-N 362.857 4.279 0 40 FIAB COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 12524834 SDSKUNAIXSLGMO-RCCKNPSSSA-N 369.424 4.500 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(C)cc1 12780350 XKQMUQBZKOUKMS-UHFFFAOYSA-N 367.367 4.220 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1OC 14258480 BHZHVTXOWORDFH-UHFFFAOYSA-N 354.450 4.192 0 40 FIAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 15326220 IYVQJNQBKSLEEM-IBGZPJMESA-N 350.462 4.016 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)N(C)CCOc1ccccc1Cl 16966724 SDDYPVWASOQWTF-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB CC[C@@H](C)NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 18210457 UHBSRQUXZFSYLJ-SUZMYJTESA-N 372.416 4.133 0 40 FIAB CC1CCN(C(=O)c2cc([C@H]3CCCN(CC4CCCCC4)C3)no2)CC1 19496731 ZCEOIXMIMJEFNX-IBGZPJMESA-N 373.541 4.306 0 40 FIAB CC(C)Cn1nc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc2c1=O 6851996 GCNNSJZNKYBUPR-UHFFFAOYSA-N 373.815 4.097 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(Nc2ncccn2)c1 28102982 ZDQPNNIAVZBGIR-UHFFFAOYSA-N 372.350 4.169 0 40 FIAB COC(=O)C[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccccc1Cl 29327972 IWNSOXDEMDEFON-CXAGYDPISA-N 360.841 4.005 0 40 FIAB Cc1cccc(OC[C@@H]2CCCN(C(=O)CCc3sccc3C)C2)n1 1775996042 RZJSHBMGVMYYCA-QGZVFWFLSA-N 358.507 4.010 0 40 FIAB Cc1ccncc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 2037989114 WCDGERKQLNYSFS-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB Cc1cccc(CC(=O)N2CCN=C2SCc2ccc(Cl)cc2)c1 4120082 GANNTCWNURGXIF-UHFFFAOYSA-N 358.894 4.323 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1 4276077 JCKDDATVJSKGSD-UHFFFAOYSA-N 363.295 4.016 0 40 FIAB Cc1sc(NC(=O)c2ccc(Cc3ccccc3)cc2)c(C(N)=O)c1C 5144887 NASHLRIPEKNHDT-UHFFFAOYSA-N 364.470 4.307 0 40 FIAB CSc1ccccc1NC(=O)c1cccn(Cc2ccccc2C)c1=O 5269150 VSDWTJVLCCQOPQ-UHFFFAOYSA-N 364.470 4.179 0 40 FIAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1N1CCCCC1=O 5441888 XKSYSAUGILKJLW-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB CCOc1ccc2nc(NC(=O)c3cc4nc(C)ccc4o3)sc2c1 8798744 NOYKTLBBXGZIOD-UHFFFAOYSA-N 353.403 4.397 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 9827695 RZUHGOPEDZSUID-UHFFFAOYSA-N 362.351 4.257 0 40 FIAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc4ccccc34)ccc21 10971987 VTNSQHOGMAGHJV-UHFFFAOYSA-N 374.440 4.474 0 40 FIAB Cc1cccc2s/c(=N/C(=O)c3cccc(Br)c3)n(C)c12 100878765 DPKPLQIDHHDJOE-FBMGVBCBSA-N 361.264 4.052 0 40 FIAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 102820488 WZHRNCQJNJIYMA-XYJFISCASA-N 362.477 4.131 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)c3nccs3)c12 40133656 PEMQOTUGFQDICG-UHFFFAOYSA-N 371.510 4.351 0 40 FIAB CCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 969362 OSFANWOQVTYLOO-KRWDZBQOSA-N 366.461 4.002 0 40 FIAB CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 1366201 VBWJWSPUNHYRBI-UHFFFAOYSA-N 369.490 4.094 0 40 FIAB COc1ccc(-c2nc3ccccc3n2C(=O)c2ccccc2C(=O)O)cc1 1447783 UMCAPOWLZAOOER-UHFFFAOYSA-N 372.380 4.099 0 40 FIAB CCOC(=O)c1ccc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 1651905 MFQIIEANYKVKDR-UHFFFAOYSA-N 373.408 4.351 0 40 FIAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 2472078 PRJUVXSXGWTMDH-IRXDYDNUSA-N 369.856 4.059 0 40 FIAB CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)C1CCCCC1 2644193 FPTUBGURKNTLEX-UHFFFAOYSA-N 370.522 4.028 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1ccc(OC)c(OC)c1 2662979 XWBBVQYMKSCJNV-UHFFFAOYSA-N 357.450 4.191 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1 3434614 AVSVJGAGDGCOFI-UHFFFAOYSA-N 352.419 4.413 0 40 FIAB C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CCOc1ccc(Cl)cc1 3437986 IIRZJOFYZXMERQ-HZPDHXFCSA-N 372.896 4.017 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OCC 4061499 RZNRLXHAVAKWOC-UHFFFAOYSA-N 366.461 4.214 0 40 FIAB Clc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1 4327787 LAVVPBQAZHMSBD-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB Cc1ccc(-c2n[nH]c(SCc3cc(Cl)c4c(c3)OCCO4)n2)cc1 5316795 ANPIXDIAJLATMA-UHFFFAOYSA-N 373.865 4.497 0 40 FIAB Cc1cc(=O)n(C[C@@H]2CC(c3ccccc3Cl)=NO2)c2ccccc12 5341793 VOOJGCYWLXADSN-AWEZNQCLSA-N 352.821 4.157 0 40 FIAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1cccc2ccccc12 5679630 DNIYKMOMTFHESO-OAQYLSRUSA-N 362.454 4.185 0 40 FIAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 6251938 PFVDMSIPBPVATI-VOTSOKGWSA-N 367.257 4.225 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)o1 6462783 VLPRROWKXZLXHD-UHFFFAOYSA-N 359.476 4.400 0 40 FIAB Cc1cc(NC(=O)Cn2cc(C=O)c3ccccc32)ccc1Br 6613139 KEFJXNAQXPXGFP-UHFFFAOYSA-N 371.234 4.163 0 40 FIAB C[C@H](Sc1nnc(-c2ccco2)n1C)c1nnc(-c2cccs2)o1 6846981 WRSSIJVNKYLZCY-VIFPVBQESA-N 359.436 4.040 0 40 FIAB Cc1ccc([C@H](OC[C@@H](O)CN2CCCC[C@@H]2C)c2ccccc2)cc1 7002926 XZUPZSNPYHGUPL-AJSBUHFISA-N 353.506 4.336 0 40 FIAB O=c1cc(CSc2nc3ccccc3o2)nc2sc3c(n12)CCCC3 7164069 GNSZGJSZLUMJIJ-UHFFFAOYSA-N 369.471 4.068 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 7705462 UKMBHJJWUCUFGQ-FQEVSTJZSA-N 368.502 4.491 0 40 FIAB Cc1cc(C)n2c(SCCOc3cc(Cl)ccc3Cl)nnc2n1 8428064 MTFQWTSSDDMIFY-UHFFFAOYSA-N 369.277 4.219 0 40 FIAB COc1cc(NC(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OC 8769102 ZSZGFWSFZIPWAZ-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB CC(C)[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccc(C(C)(C)C)cc1 9052174 QCXBWTYVVACKDI-JOCHJYFZSA-N 363.505 4.479 0 40 FIAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3cccnc3)cs2)s1 9157608 GZYLRGWVKZFYGU-UHFFFAOYSA-N 357.460 4.177 0 40 FIAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1 9335918 DPEGGIASKZFGTI-AWEZNQCLSA-N 373.522 4.252 0 40 FIAB COc1ccc2nc(SCC(=O)N3CCC[C@H]3c3cccs3)[nH]c2c1 9366938 AKRANLSZCTVNGX-HNNXBMFYSA-N 373.503 4.089 0 40 FIAB CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1ccccc1F 9582599 IZGSBXYMUPHQLT-UHFFFAOYSA-N 371.437 4.088 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)N[C@@H](c2ccccc2)C2CC2)c1C 9875463 WODUGCQUEGAPMG-NRFANRHFSA-N 365.477 4.035 0 40 FIAB C[S@](=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 9900767 HBKHQGPIMQJFMV-AVRWGWEMSA-N 373.474 4.144 0 40 FIAB O=C(Nc1ccc(F)cc1F)C1=Cc2cc(Br)ccc2OC1 10367709 UIXGBQAYBWMOFI-UHFFFAOYSA-N 366.161 4.142 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 10541200 STKZCRCUBBDGKL-SFHVURJKSA-N 367.836 4.085 0 40 FIAB O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1cccs1 12621769 HLQNSMUUVWSHET-UHFFFAOYSA-N 365.430 4.002 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)cc1OC 12993566 ABNJYYNTJHPSRO-DBWMJRBXSA-N 357.475 4.315 0 40 FIAB CCOc1ccc(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 13006779 DJRIEMXDQQDKRQ-LJQANCHMSA-N 355.434 4.080 0 40 FIAB O=C(NCc1ccccc1)c1ccccc1NC(=S)Nc1ccccc1 13991516 ZECQXLBQMWSROC-UHFFFAOYSA-N 361.470 4.426 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)o1 14164840 USTWPWFFRUUQGB-UHFFFAOYSA-N 367.434 4.289 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1ccc(Br)cc1F 15612283 FNAXNNRQTGXWRX-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2CC1CCCCC1 19017748 HEDJGAMJAMPSSG-YPAWHYETSA-N 358.501 4.185 0 40 FIAB CC(C)c1nccn1[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 19454329 MEEJWXNZRWXRSJ-CQSZACIVSA-N 354.479 4.254 0 40 FIAB CCOCCCNc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1 19531055 ZJQMUPFQLHPNFS-UHFFFAOYSA-N 371.872 4.036 0 40 FIAB CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(C)c1C 19943191 JRSGAIGSPIJWGB-HUUCEWRRSA-N 353.528 4.149 0 40 FIAB Cc1ccccc1CNC(=O)CSCc1cccc(Br)c1 20238292 MKDQABPXSUIASA-UHFFFAOYSA-N 364.308 4.307 0 40 FIAB COc1cc(OC)c(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1Cl 20538255 YHEGDEVMSBDESB-SNVBAGLBSA-N 352.793 4.379 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)NCCC2=CCCCC2)cc1 22651643 BVQYWXOGUFXVJD-UHFFFAOYSA-N 368.477 4.420 0 40 FIAB CCCCc1ccc(CC(=O)Nc2cc(C(=O)OC)c(F)cc2F)cc1 22889746 VAYLBVLZXNCAOP-UHFFFAOYSA-N 361.388 4.275 0 40 FIAB Cc1cc2ccccc2n1CC(=O)NCc1ccc(Br)s1 23134488 XBQPCKJGHBUBQK-UHFFFAOYSA-N 363.280 4.090 0 40 FIAB CC(C)[C@@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(F)cc1 24600952 YDFHCXCUYDFOBW-GOSISDBHSA-N 359.832 4.203 0 40 FIAB Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)N3CCOCC3)c2c1 27977303 HGABXRAJKWVQLP-UHFFFAOYSA-N 352.459 4.053 0 40 FIAB O=C1CN(C(=O)c2ccco2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28048064 UHJYUSFMBMFXDN-IBGZPJMESA-N 366.804 4.117 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl 28290727 KQMNKMNAUKBFRG-OAHLLOKOSA-N 369.852 4.299 0 40 FIAB COc1ccc([C@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1OC 30757489 YUMAWMVMTZQTNW-INIZCTEOSA-N 373.518 4.431 0 40 FIAB CCOc1cccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c1 30850888 UCYOJUXCBTUAMU-UHFFFAOYSA-N 357.450 4.454 0 40 FIAB Cc1ccc2nc(C)c(C(=O)OCc3noc(-c4ccsc4)n3)cc2c1 39554581 OGTDUSJOAJLBCQ-UHFFFAOYSA-N 365.414 4.320 0 40 FIAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 39750995 CRJKACFOUBSEIZ-UHFFFAOYSA-N 350.462 4.048 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106741 WFNDAQKTBDNDNP-KRWDZBQOSA-N 374.440 4.023 0 40 FIAB C[C@@H](CNC(=O)c1occc1COc1ccccc1)N(C)c1ccccc1 40108023 WYZYDNBRQNUQPP-KRWDZBQOSA-N 364.445 4.113 0 40 FIAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)c(C)cc1C 41096780 HPOYQJGAILZZDV-ZDUSSCGKSA-N 360.317 4.019 0 40 FIAB Cc1ccc(C(=O)c2ccc(I)cc2)cc1Cl 43210094 MMRMVPMVVSIGTE-UHFFFAOYSA-N 356.590 4.484 0 40 FIAB O=C(NCCCc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44909192 HAJMTEAQMXSXHK-HXUWFJFHSA-N 370.924 4.301 0 40 FIAB O=C1C[C@H](C(=O)N(Cc2ccco2)c2cccc(F)c2)c2ccccc2N1 45514800 HIYAQQCSFANZPK-SFHVURJKSA-N 364.376 4.078 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccc(-c3cnco3)cc2)cc1Cl 47411601 ODZGCHWAMLQRPH-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB NC(=O)c1cc(Cl)ccc1OCc1csc(COc2ccccc2)n1 48354417 GHAWLAWLXKCGGS-UHFFFAOYSA-N 374.849 4.053 0 40 FIAB C[C@@H](c1cccs1)N(C)CC(=O)N(C)Cc1c(F)cccc1Cl 53429222 ZFEPWVDSSUVRGJ-LBPRGKRZSA-N 354.878 4.192 0 40 FIAB CCNC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 53511717 UVQRGIHFDUOPQC-UHFFFAOYSA-N 368.868 4.354 0 40 FIAB Cc1cccn2c(=O)cc(CN[C@H](c3ccc(F)cc3)C(C)(C)C)nc12 53644241 FVSWRCMAMSWESH-LJQANCHMSA-N 353.441 4.019 0 40 FIAB CCC(=O)N1CCc2cc(-c3csc(Nc4ccccn4)n3)ccc21 55049035 ZYGZPBVDKCXNIK-UHFFFAOYSA-N 350.447 4.248 0 40 FIAB C[C@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(F)cc1F 57185973 VPLJBXPVUWZZDX-ZDUSSCGKSA-N 363.379 4.030 0 40 FIAB Cn1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n1 69331157 HBMYVTYKUPQEGI-UHFFFAOYSA-N 353.234 4.103 0 40 FIAB Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C)c1 72331287 XMLWGXFZBRLTLK-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2Cc2ccccc2)n1 72360104 DLVMRIBRESXURI-QGZVFWFLSA-N 366.494 4.026 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c(C)c1 219591004 RZFKTFMYCRLUFA-IBGZPJMESA-N 355.434 4.276 0 40 FIAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222757205 UKQNQLJCNVRHGM-QZTJIDSGSA-N 353.422 4.083 0 40 FIAB CN(c1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224928801 MXZUCVOFVDJXSK-UHFFFAOYSA-N 350.654 4.472 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 225153158 KHQUKJYZAZNXMP-LBPRGKRZSA-N 374.437 4.189 0 40 FIAB COC(=O)c1cc(NC(=O)COc2ccc3c(c2)CCCC3)ccc1Cl 225320204 SGEMNECACLCLQB-UHFFFAOYSA-N 373.836 4.023 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2cccc(F)c2)no1)c1ccc(Cl)cc1 225801815 XBQRJVOYWMWMLX-GFCCVEGCSA-N 373.815 4.339 0 40 FIAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccnc1Cl 408628715 WISRHCAVAGNEGO-UHFFFAOYSA-N 364.792 4.499 0 40 FIAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)N(C)C2=S)cc1 409038389 OSZQYQHAODUVHG-WJDWOHSUSA-N 358.488 4.060 0 40 FIAB O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc(C(=O)c2cc[nH]c2)cc1 500621009 YDGCJSABNOPZDR-FQEVSTJZSA-N 362.404 4.192 0 40 FIAB Nc1ccc(Br)cc1-c1nc(-c2cc3ccccc3o2)n[nH]1 585157943 SUOANAIANLKMSL-UHFFFAOYSA-N 355.195 4.230 0 40 FIAB Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1 629294 LSBPKJJEEFOFNZ-UHFFFAOYSA-N 369.471 4.172 0 40 FIAB aggregator CCN(CC)CC(=O)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2 823155 ZKVINDCVLMJLEB-UHFFFAOYSA-N 374.488 4.209 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc(Oc2cc(O)c(Cl)cc2Cl)cc1 2516869 WXJXATZMSNYPTG-SECBINFHSA-N 357.189 4.432 0 40 FIAB O=C(Oc1ccccc1)c1cc(Br)cc(Br)c1O 2565488 BATZALKOFHDVMJ-UHFFFAOYSA-N 372.012 4.136 0 40 FIAB Cc1ccccc1Cn1nc(C)c(NC(=S)NC2CCCCC2)c1C 2793566 LICXKGWKTOUBTR-UHFFFAOYSA-N 356.539 4.476 0 40 FIAB Clc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1Cl 3116845 LRWAUKRMZOSQHT-UHFFFAOYSA-N 359.260 4.263 0 40 FIAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 3324029 WFAZXEWVHDOIAC-LLVKDONJSA-N 368.424 4.285 0 40 FIAB O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccco1 3344608 VIBAGRKSQFQBCZ-UHFFFAOYSA-N 366.261 4.046 0 40 FIAB COc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)cc1 3896484 DSTAMTQNHKAPAT-UHFFFAOYSA-N 359.433 4.215 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1cccnc1 4329780 KJMSGCOGUDVZDF-SFHVURJKSA-N 352.825 4.174 0 40 FIAB CC(=O)Nc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 4663777 SXOUOYOMSAYBBD-UHFFFAOYSA-N 355.397 4.419 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@]2(C)C(=O)C1 4775098 XYNRKPILEBARLO-DPMGHTSRSA-N 360.494 4.099 0 40 FIAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(Cl)cc1Cl 4850559 ZYCKGKHSMGAQBA-UHFFFAOYSA-N 361.228 4.081 0 40 FIAB C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 5109663 ZDXFHPRAOBICQB-VXGBXAGGSA-N 361.800 4.002 0 40 FIAB COc1cccc(NC(=S)N2CCc3cc(OC)c(OC)cc3[C@H]2C)c1 5423201 CRLWGFFHUVDUHW-CYBMUJFWSA-N 372.490 4.029 0 40 FIAB CC(=O)Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 5481078 CXSUIQJWTJCWKI-UHFFFAOYSA-N 360.435 4.369 0 40 FIAB FC(F)(F)c1cccc(-c2nnn(Cc3ncc(-c4ccccc4)o3)n2)c1 7284938 IVXNJZQKBKUPFP-UHFFFAOYSA-N 371.322 4.062 0 40 FIAB CCc1cc2c(SCC(=O)N3CCCc4ccccc43)ncnc2s1 7737936 POBUTEDDXMCVOV-UHFFFAOYSA-N 369.515 4.325 0 40 FIAB O=C(Oc1ccc(OCc2ccccc2)cc1)[C@H]1COc2ccccc2O1 7969636 BRWNELPYOWJOJO-OAQYLSRUSA-N 362.381 4.011 0 40 FIAB CCn1c(SCC(=O)N[C@@H](C)c2ccc(F)cc2)nc2ccccc21 8807590 BVICPCHNFYQQKG-ZDUSSCGKSA-N 357.454 4.165 0 40 FIAB CCN1CCC[C@H]1CNc1ncnc2scc(-c3ccc(OC)cc3)c12 9218469 CHWUIAMDWPCCPE-HNNXBMFYSA-N 368.506 4.263 0 40 FIAB Cc1nc(C)c(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)s1 10142675 VNHMOVKPDCQZSM-UHFFFAOYSA-N 363.438 4.371 0 40 FIAB Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1-n1cccc1 10193531 XOHZMFQWMBZEPQ-UHFFFAOYSA-N 373.456 4.064 0 40 FIAB COc1cccc(-c2nnc3sc(/C=C/c4ccccc4OC)nn23)c1 10311720 AOHRJSLWBCIVPR-ZHACJKMWSA-N 364.430 4.040 0 40 FIAB Nc1c(C(=O)N2CCCCC2)sc(=S)n1-c1ccc(F)c(Cl)c1 12416097 BWTOYDJVHIYCOR-UHFFFAOYSA-N 371.890 4.269 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 12516882 UGLBOYWKUUUPHA-INIZCTEOSA-N 359.429 4.370 0 40 FIAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)ccc21 12907458 BQFPWWPDKTZTSC-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB C[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)NC(=O)c1ccccc1 12935782 HZBWRDNQXUOSRU-NSHDSACASA-N 351.233 4.141 0 40 FIAB O=C(NCCc1ccccc1)c1ccccc1SCc1cscn1 12948815 SPJJWZUWLZPJJA-UHFFFAOYSA-N 354.500 4.408 0 40 FIAB C[C@](CC(=O)Nc1ccc(Cl)cc1Cl)(C(=O)O)c1ccccc1 13250347 JQGXNVBDAPSNAN-QGZVFWFLSA-N 352.217 4.365 0 40 FIAB COc1cc(NC(=S)Nc2cccc(Cl)c2C)cc(OC)c1OC 13935615 MMANRRWHFVAOIN-UHFFFAOYSA-N 366.870 4.483 0 40 FIAB O=S(=O)(NCCCCOc1ccc(Cl)cc1)c1ccccc1Cl 14239649 UKRIWTHSVJGLFL-UHFFFAOYSA-N 374.289 4.131 0 40 FIAB C/C=C/C(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 14405053 KRKJXGBUWJOFRY-RUDMXATFSA-N 374.444 4.256 0 40 FIAB Cc1ccc(Nc2nn3c(=O)c4ccc(Cl)cc4nc3s2)cc1C 17053020 LCNASKUVZSYHLC-UHFFFAOYSA-N 356.838 4.318 0 40 FIAB CCSc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 19934401 BVHQYYONDKAFHY-ACCUITESSA-N 373.474 4.476 0 40 FIAB Cc1cccc2nc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cn12 20022679 DICYSJFNQREYEM-UHFFFAOYSA-N 366.421 4.081 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 20105929 GIYFOQGWWPUVNE-QFBILLFUSA-N 371.477 4.355 0 40 FIAB COc1ccc(CSCC(=O)Nc2cc(Cl)ccc2OC)cc1 20237818 MGNTVFKZUYCHOM-UHFFFAOYSA-N 351.855 4.229 0 40 FIAB O=C(CSCc1ccccc1Br)Nc1ccccc1F 20238196 QOUXSQOFUCSBDZ-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CCCCCCNc1nc(SC)nc2sc3c(c12)CCN(C)C3 20390204 LLSXMAYDGCUREZ-UHFFFAOYSA-N 350.557 4.393 0 40 FIAB CCCN1CCc2c(sc3nc(SCc4ccccc4)nc(N)c23)C1 20828884 DGLLMOTXOOBMJZ-UHFFFAOYSA-N 370.547 4.334 0 40 FIAB Cc1csc(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 21334992 HRXQHVIUUJCDFF-SECBINFHSA-N 362.398 4.469 0 40 FIAB Cc1ccc(-c2nc(NC(=O)COc3cc(C)ccc3C(C)C)no2)cc1 21800576 MFTUOFTXWMCFEJ-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC 22513700 SMOMFZAMQPQYIV-KRWDZBQOSA-N 371.477 4.055 0 40 FIAB COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Cl)c1Cl 25309813 ZPFWYPLELSCXMB-INIZCTEOSA-N 351.233 4.206 0 40 FIAB C[C@]12CC[C@H](O)C[C@H]1CC[C@H]1C3=CC[C@H](C4=CC(=O)OC4)[C@@]3(C)CC[C@@H]12 27524143 FXWZKNUSMJAEKJ-HHALRHBMSA-N 356.506 4.410 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1C 27792845 MSYINHMESBBMJZ-UHFFFAOYSA-N 357.797 4.349 0 40 FIAB O[C@@H]1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1 27900982 WITYEOOSZUICNZ-HSZRJFAPSA-N 352.437 4.400 0 40 FIAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)o1 28243554 MAHURVACMMISFT-UHFFFAOYSA-N 362.389 4.118 0 40 FIAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)COc1ccccc1 28303805 MZQXENQJCUBXOF-UHFFFAOYSA-N 369.852 4.219 0 40 FIAB O=C(CCc1ccccc1)Nc1cnn(Cc2ccc(F)cc2Cl)c1 28305914 TZCJLYWVKNWJPX-UHFFFAOYSA-N 357.816 4.295 0 40 FIAB COc1cccc(N(CC(=O)c2cccc(C)c2C)C2=NCCCS2)c1 28527709 DKPVMBKIDCBBDT-UHFFFAOYSA-N 368.502 4.494 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCCCc2cccc(C)c2)cc1OC 30863778 WEKZACCUBQROKS-INIZCTEOSA-N 373.518 4.242 0 40 FIAB CCOc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289365 NXCIDIGRKJIMPS-IBGZPJMESA-N 367.449 4.029 0 40 FIAB CN1CCC(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 36613961 IBMOWFVOLLFUEC-UHFFFAOYSA-N 352.816 4.241 0 40 FIAB Cc1nc(CSc2ccccc2C(=O)N2CCCc3ccccc32)no1 40050016 HSOOVZCVWLGQAK-UHFFFAOYSA-N 365.458 4.263 0 40 FIAB COc1cc(NC(=O)N[C@@H](C)c2cc(C)ccc2C)cc(OC)c1OC 43169746 QENXEWHRQQBBFE-AWEZNQCLSA-N 358.438 4.212 0 40 FIAB CN(C(=O)CSCc1ccc(Br)cc1)C1CCCCC1 44883044 HLLMXIXMKVEIPR-UHFFFAOYSA-N 356.329 4.473 0 40 FIAB Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cccc3cccnc23)cc1 54349385 FXHCVGDVBZFPLC-UHFFFAOYSA-N 372.384 4.036 0 40 FIAB Cc1cnn(CC(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1 58367862 HJBYAWJNUTXQSN-UHFFFAOYSA-N 364.430 4.232 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1F 58476531 UTEYVIPUPGFXCG-RBUKOAKNSA-N 352.453 4.188 0 40 FIAB C=Cc1ccc(Cn2ccn3nc(-c4ccc(OCC)cc4)cc3c2=O)cc1 64977466 PQWVXHJBCBLIQS-UHFFFAOYSA-N 371.440 4.253 0 40 FIAB Cc1ccccc1-c1cc2c(N3CCN(c4ccccc4)CC3)nccn2n1 67285454 JQWQJUSCEMIOKX-UHFFFAOYSA-N 369.472 4.031 0 40 FIAB COc1ccc([C@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1 79480218 CFSSHIUMJUEQJV-GOSISDBHSA-N 351.431 4.305 0 40 FIAB C[C@@H](CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 95466093 ZRDOSFWYLOPISX-AWEZNQCLSA-N 365.399 4.259 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1nc(-c2cccs2)no1 95482326 OLXSRXUNVOTSAW-ZDUSSCGKSA-N 371.462 4.005 0 40 FIAB CN(c1ccccc1)c1ccc2ccc(C(=O)NCc3ccccn3)cn12 96146179 WVEKGFCHSDUKIA-UHFFFAOYSA-N 356.429 4.032 0 40 FIAB CC1(C)CC(=O)c2ccc(OCC3CCN(C(=O)C(C)(C)C)CC3)cc2O1 97141301 OIGQQYBINUUXFY-UHFFFAOYSA-N 373.493 4.094 0 40 FIAB COc1ccccc1O[C@@H](C)c1cc(O)n2ncc(-c3ccccc3)c2n1 100776272 VGHLWXBPWZSEEZ-AWEZNQCLSA-N 361.401 4.251 0 40 FIAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C 101277043 AYXJMNNTUDXOQB-CQSZACIVSA-N 363.244 4.354 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102400340 SAGBPYVMMVLTFX-MNXVOIDGSA-N 352.272 4.012 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 211083805 YIKHGZYLMQBPBC-CYBMUJFWSA-N 371.483 4.124 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2)c2ccccc2n1 217444496 VKNKOHFATLRUCO-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB O=C(Cc1ccc(Cl)cc1F)NCCOc1cccc2ccccc12 223573020 NASDDRIUKBHXPB-UHFFFAOYSA-N 357.812 4.370 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)[nH]1 224416436 ZKGMQCDTPKXONO-ROUUACIJSA-N 352.438 4.034 0 40 FIAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224710516 PCQWJRBLGXVIAL-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccccc1 224920991 KAPPZQQOHLSCTF-INIZCTEOSA-N 355.503 4.241 0 40 FIAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccc(OC)cc2)c1 225336600 ITXGRUPTLQTCME-OAQYLSRUSA-N 355.478 4.294 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCCCC1 225657343 IYAWWCOYKLBTRW-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc2c(c1)OCO2 225677744 LKYBYNNHBKCKRL-OAHLLOKOSA-N 370.474 4.313 0 40 FIAB C[C@@H](NC(=O)c1snnc1-c1ccc(F)cc1)c1ccc(Cl)cc1 225781784 YOWAILWBIDXPRG-SNVBAGLBSA-N 361.829 4.489 0 40 FIAB COc1ccccc1N(Cc1cccc(C)c1)S(=O)(=O)c1ccccc1 408622081 ANROJWRMOHRCAF-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 408706296 ZLAFPOJMXGHTSL-MRXNPFEDSA-N 355.478 4.419 0 40 FIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Br)cc1C 408709898 ZCFMYROBIWATDE-ZDUSSCGKSA-N 369.303 4.029 0 40 FIAB CCOC(=O)c1cc(NC(=O)CSc2ccc(F)cc2)ccc1Cl 409178079 KMGZDUBZQOPWST-UHFFFAOYSA-N 367.829 4.387 0 40 FIAB O=C(Cc1csc(Cc2ccccc2)n1)NC(C1CCC1)C1CCC1 553289334 PRHCHTZGWVCLCO-UHFFFAOYSA-N 354.519 4.361 0 40 FIAB Cc1nn(CCNC(=O)c2cc3ccccc3[nH]2)c(C)c1-c1cccs1 575612885 OUBKVMVRDKLESS-UHFFFAOYSA-N 364.474 4.140 0 40 FIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CCSc2ccccc2)C1 575615005 ASDNVVXSROZNMW-QGZVFWFLSA-N 365.502 4.301 0 40 FIAB CCn1nc(C)c(CC(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)c1C 585085638 JJGAOIQSTJYTLK-CQSZACIVSA-N 369.465 4.003 0 40 FIAB CN(C(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(F)cn1 1272645497 ZHINGKAMKJLLMC-UHFFFAOYSA-N 359.788 4.125 0 40 FIAB CC(C)(C)c1ccc(NC(=O)N2CCCN([C@H]3CCSC3)CC2)cc1 1565522049 ATMVOBIRXFQXJN-SFHVURJKSA-N 361.555 4.029 0 40 FIAB C[C@H]1CN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)C[C@@H](C)N1 1614423274 YZWYTCRVRWHRPY-OKILXGFUSA-N 352.869 4.137 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2ccc(Br)cc2)o1 645116 WWUMUAXGQACBML-UHFFFAOYSA-N 355.257 4.206 0 40 FIAB Fc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(F)c1 1398534 FVHUPDPVABAYGF-UHFFFAOYSA-N 369.371 4.051 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)SC(N)=N1 1410004 ZXPJZWSCQSVRBC-CYBMUJFWSA-N 358.385 4.034 0 40 FIAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Nc1ccccc1OC 2341439 KFAQSEMMBOTRQA-UHFFFAOYSA-N 371.368 4.136 0 40 FIAB COc1ccccc1Oc1c(C)oc2cc(OC(=O)C3CC3)ccc2c1=O 2401820 CHCINKQTJSZHTC-UHFFFAOYSA-N 366.369 4.218 0 40 FIAB biogenic O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccc(F)cc12 2416696 JTEXMZUWQKFDDU-UHFFFAOYSA-N 350.437 4.444 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 4846774 HZTOBULOACVYDA-YWZLYKJASA-N 369.436 4.130 0 40 FIAB Cn1c(SC/C=C\c2ccccc2)nc2sc3c(c2c1=O)CCC3 5034876 XTINLKWQKWJQHZ-TWGQIWQCSA-N 354.500 4.289 0 40 FIAB Clc1cccc(CSc2nnc3ccc(-c4ccncc4)nn23)c1 5168529 AREFVEJIRDHQEQ-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1cccs1 5259466 RLESNDNZFTZXHY-UHFFFAOYSA-N 364.474 4.448 0 40 FIAB O=C(/C=C/c1nc2ccccc2s1)NCCc1ccc(OC(F)F)cc1 5296239 GRCVFCKDAPDUEQ-MDZDMXLPSA-N 374.412 4.270 0 40 FIAB CSc1cccc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12 5299250 OYSVPEWXMIUVDN-UHFFFAOYSA-N 358.444 4.042 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 5393508 KNQRLSVFLNTWBN-ZHACJKMWSA-N 370.880 4.101 0 40 FIAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc3ccccc3c2)c1 5571240 DEQNWGKCFWZQMK-UHFFFAOYSA-N 350.443 4.040 0 40 FIAB CCOc1cc(C=O)c(Br)cc1OCc1ccc(F)cc1 5651956 SDZOUZFPLXOTSY-UHFFFAOYSA-N 353.187 4.378 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)Cc3ccccc3)o2)cc1 5863444 DQBVIYHWYJZGIF-HNNXBMFYSA-N 367.474 4.184 0 40 FIAB Cc1ccc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)[nH]c2c1 6017027 NSVOHPDDGGMELQ-HNNXBMFYSA-N 353.491 4.101 0 40 FIAB CCOc1ccc2nc(SCC(=O)Nc3cccc(SC)c3)[nH]c2c1 6028610 CEJMWYVKYBPCGQ-UHFFFAOYSA-N 373.503 4.414 0 40 FIAB CCOC(=O)c1cc(NC(=O)Cn2c(C)cc3ccccc32)ccc1Cl 6246727 AHLPJJNXPHTYCO-UHFFFAOYSA-N 370.836 4.419 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCSc3ccccc32)cc1 6610217 ONJCXCGRBSGVKE-LJQANCHMSA-N 369.486 4.402 0 40 FIAB CCn1nnc2cc(C(=O)Nc3nc4c(ccc5ccccc54)s3)ccc21 6649249 RUPZYHJOLSDXNW-UHFFFAOYSA-N 373.441 4.466 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2Br)c(C)c1 7306147 JSXMAZDNIBGXQF-ZDUSSCGKSA-N 368.296 4.105 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)COc1cccc(Br)c1 7829381 HTCMQAVOQUJVRG-LLVKDONJSA-N 366.280 4.035 0 40 FIAB COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 8550820 LXCSRIWCYYAAKR-UHFFFAOYSA-N 368.216 4.140 0 40 FIAB CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2cccnc2)s1 8715574 FAYUFAXRWRUTSZ-UHFFFAOYSA-N 353.403 4.005 0 40 FIAB COc1ccc(C(C)=O)cc1CN1CCC(c2nc3ccccc3o2)CC1 9454132 LIXBCDQFYKBTBI-UHFFFAOYSA-N 364.445 4.419 0 40 FIAB CC(C)n1ncc2c(C(=O)N3CCc4ccccc43)cc(-c3ccco3)nc21 10510622 ZUGJSJYESWCLNN-UHFFFAOYSA-N 372.428 4.475 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)NCc2ccccc2Cl)CC1 11607439 VEYMGAMXWAKXJX-UHFFFAOYSA-N 356.853 4.145 0 40 FIAB CCOc1ncccc1-c1noc(CN2CCCC3(CCCCC3)C2)n1 12236363 ZGSMOPVHIFNGKR-UHFFFAOYSA-N 356.470 4.077 0 40 FIAB c1cc(-c2nnc(Sc3ncnc4sc5c(c34)CCCC5)o2)ccn1 12681081 NOTTWPUAUXZLCC-UHFFFAOYSA-N 367.459 4.166 0 40 FIAB Cc1ccc(C)c(SCC(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 12975147 OOZFVNGQMJHFQQ-GOSISDBHSA-N 372.534 4.332 0 40 FIAB O=C(O)Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 13440004 SIGWLNFJODWHOU-UHFFFAOYSA-N 355.777 4.479 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 15608863 JRYVFFQMSKNHRH-HNNXBMFYSA-N 350.462 4.346 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 16608946 MVTUQUDYXZAYQX-CPLUKWAASA-N 356.510 4.304 0 40 FIAB CCCCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 18210415 FUPYVWBFPLDBKE-ZFWWWQNUSA-N 366.387 4.073 0 40 FIAB aggregator CCCn1c(=N)n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19706957 KPZLSFBZHRSCPA-KRWDZBQOSA-N 364.276 4.373 0 40 FIAB Cc1nn([C@H](C)Cn2cncc2-c2ccc3c(c2)CCCN3C)c(C)c1C 19720022 HHXSMTMEGGRIHY-OAHLLOKOSA-N 363.509 4.315 0 40 FIAB CC(C)C[C@@](O)(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1 20440582 MXXPUYROBLEDGR-XZOQPEGZSA-N 353.506 4.036 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCCO2 20462477 LEAUCOWSUSWHDU-IBGZPJMESA-N 363.413 4.407 0 40 FIAB CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 22250725 QLLXDQWQKSAMTH-UHFFFAOYSA-N 358.869 4.010 0 40 FIAB COc1ccc(CCNC(=O)N(Cc2ccco2)Cc2cccs2)cc1 22747439 KNHLUYAFBMLHNG-UHFFFAOYSA-N 370.474 4.304 0 40 FIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1csc2c1CCCC2 25276676 ZJQJLSGRSPKUAD-UHFFFAOYSA-N 371.462 4.322 0 40 FIAB Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(F)cc3F)sc2n1 29110190 LYIPNGDTPOZHGJ-UHFFFAOYSA-N 361.417 4.167 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C)c1 30755792 RSFXNSTYMAXXAT-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1C 30847643 XZRZUUDMXVBZHR-FQEVSTJZSA-N 366.505 4.036 0 40 FIAB CN(C)C(=O)[C@@H](OC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 32741907 XUHVBTVDMKDXND-KRWDZBQOSA-N 357.406 4.027 0 40 FIAB COC(=O)c1occc1COc1ccc(C(=O)c2ccc(F)cc2)cc1 32848686 GPDDGTRGGKAJOR-UHFFFAOYSA-N 354.333 4.015 0 40 FIAB CC(C)n1ncc2cc(C(=O)OCc3ccccc3C(F)(F)F)cnc21 32866022 KDLUSLPCGLEQQD-UHFFFAOYSA-N 363.339 4.388 0 40 FIAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccc3ccccc3c2)cc1 32902538 YZODSJNPRNCAGR-GXDHUFHOSA-N 358.441 4.470 0 40 FIAB Cc1ccc(CN(C)C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)cc1 40104816 GSENMTCLCCDVLY-UHFFFAOYSA-N 365.477 4.203 0 40 FIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@]1(C)CC1(Cl)Cl 40108442 XFSAJESHDDNTEG-ZANVPECISA-N 365.098 4.080 0 40 FIAB O=C(Cn1ccc2c(Br)cccc21)NCCCc1ccccc1 40288194 PTWQBLISVCPOAZ-UHFFFAOYSA-N 371.278 4.153 0 40 FIAB CCOc1ccc2nc(C(=O)OC)cc(Nc3cc(C)ccc3OC)c2c1 44165834 YSCUGJWJBGPQKC-UHFFFAOYSA-N 366.417 4.481 0 40 FIAB COC(=O)c1c(CN(C)Cc2ccc(F)c(F)c2)nc2ccccc2c1C 48278020 WCOHIAPTPLKZMU-UHFFFAOYSA-N 370.399 4.240 0 40 FIAB Cc1noc(-c2ccnc(SCC(=O)Nc3cccc(Cl)c3C)c2)n1 49405371 VEKOVRJQJPHENZ-UHFFFAOYSA-N 374.853 4.133 0 40 FIAB COc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 49706206 KTBLDUVFFJYUIL-UHFFFAOYSA-N 360.841 4.424 0 40 FIAB O=C(c1ccc2ccccc2n1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50380046 PNHCVGULDZHBHV-IBGZPJMESA-N 364.420 4.195 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCc3ccc(Br)cc3)n[nH]2)cc1 57477261 OYMLRBYTKRKMAG-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nc2sccn2c1Br 58283634 IWNXCGKVBIWLCT-JTQLQIEISA-N 368.275 4.490 0 40 FIAB Cc1nc(CSCC(=O)Nc2ccccc2Oc2cccc(F)c2)no1 58394362 LYPIFHQFDBKZNI-UHFFFAOYSA-N 373.409 4.181 0 40 FIAB NC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 58405765 SXSXYAXEYXXXOL-UHFFFAOYSA-N 374.318 4.317 0 40 FIAB Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)n3cnc4ccccc43)[nH]c2c1 61633044 SVTVVPNWNWTTOD-FOIQADDNSA-N 373.460 4.146 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230026 KWZNNOYSISDLSA-OAQYLSRUSA-N 367.832 4.439 0 40 FIAB CCN(C(=O)COC(=O)c1ccc(C(F)(F)F)cc1)c1cccc(C)c1 72330047 IJETXZUOYZPVEL-UHFFFAOYSA-N 365.351 4.224 0 40 FIAB CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)c1 72355835 OMWQPSIQEKCKRG-OAQYLSRUSA-N 372.472 4.187 0 40 FIAB COc1ccc2c(c1)N(Cc1ncc(-c3ccccc3OC)o1)C[C@@H](C)O2 75858090 KAMBXXANDQFELB-CQSZACIVSA-N 366.417 4.146 0 40 FIAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@@H]1CCSc2c(F)cccc21 78882269 FCIADXZUTIJXEH-OAHLLOKOSA-N 361.486 4.361 0 40 FIAB Cc1cc(Oc2ccc(NC(=O)Cn3cc(C)c4ccccc43)cc2)n[nH]1 79103315 QDQYJIHGUVDQBI-UHFFFAOYSA-N 360.417 4.412 0 40 FIAB O=C1[C@H](Oc2ccc(F)c(Cl)c2)CCN1c1ccccc1OC(F)F 84505980 QLIIFUUZEBZKSC-OAHLLOKOSA-N 371.742 4.265 0 40 FIAB CCCn1cc(NCc2ccc(OCc3cn4ccccc4n3)cc2)cn1 89960724 PQLMDBBLENSCOC-UHFFFAOYSA-N 361.449 4.132 0 40 FIAB CC(C)n1ccc2c(C(=O)Nc3ccc(Cn4cncn4)cc3)cccc21 95480808 ZBSZGQTYXNDMCS-UHFFFAOYSA-N 359.433 4.114 0 40 FIAB COc1ccc(CN[C@@H](C)[C@H](OC)c2ccccc2F)cc1OCC1CC1 95989238 FGOSSAKNMKYADT-NYHFZMIOSA-N 373.468 4.489 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)NCc2cnc(C)s2)cc1 98118915 KZVXLBGCBPNFAD-SFHVURJKSA-N 359.495 4.287 0 40 FIAB CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)c1nc3cc(Cl)c(Cl)cc3nc12 100175342 RRVIKQNVFGIWFP-IRXDYDNUSA-N 351.233 4.350 0 40 FIAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1c(Cl)cccc1Cl 102167190 LRMVSVJFJWQFGT-SRVKXCTJSA-N 356.249 4.301 0 40 FIAB Cc1ccc([C@@H]2C=C(c3cccnc3)Nc3nc(C(F)(F)F)nn32)cc1 103265302 JREDAOCEUCXWLE-HNNXBMFYSA-N 357.339 4.056 0 40 FIAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C)C2 169619628 SUHTUEZXLKFHAW-KCXAZCMYSA-N 369.486 4.402 0 40 FIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)N1CCc2ccccc21 219465486 FCACWHQMJNBUKQ-UHFFFAOYSA-N 356.425 4.170 0 40 FIAB Cc1ccccc1-c1noc(CN(C)C(=O)Cc2ccc(Cl)cc2F)n1 223373419 GEUDOGCCNNDSRM-UHFFFAOYSA-N 373.815 4.039 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1Cl 224163437 DFCAUSMXOMJWCU-CYBMUJFWSA-N 368.260 4.264 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccccc2Cl)c1 225371848 FEWFGVCEMSDCPT-UHFFFAOYSA-N 369.273 4.267 0 40 FIAB CCOC(C)(C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225647899 NHIWUDMYTQBDJY-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB CSc1ccc(/C=C/C(=O)NC[C@@H](O)c2csc3ccccc23)cc1 225694643 BDBNBBFJXOFUHO-VEGGFIAOSA-N 369.511 4.486 0 40 FIAB CCOc1cc(CNC(=S)Nc2cccc(OC(C)C)c2)ccc1OC 225771315 PVVDRBLDPUVTCY-UHFFFAOYSA-N 374.506 4.368 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccccc1C 408563787 PUALDOKLYJDQJV-UHFFFAOYSA-N 370.518 4.349 0 40 FIAB Clc1cccc(N2CCOCC2)c1CNc1ccc(-c2cnco2)cc1 585085917 QMQQSOXAJHJUNF-UHFFFAOYSA-N 369.852 4.444 0 40 FIAB O=C(NC[C@@H](c1ccsc1)c1ccco1)c1cc(-c2ccco2)on1 618256074 FFJDIUNWNLGTPH-ZDUSSCGKSA-N 354.387 4.151 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2cn(-c3ccccc3)nc2C)cc1Cl 1268895292 BLBUVDAANFCOBY-UHFFFAOYSA-N 368.824 4.045 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1nnc(C2CCCCC2)s1 959152 NDELNIDYBPURFW-UHFFFAOYSA-N 361.467 4.002 0 40 FIAB N=C(NC(=O)c1ccccc1)N(CCc1ccccc1)CCc1ccccc1 1710587 XPBHZNJHFXOPAF-UHFFFAOYSA-N 371.484 4.139 0 40 FIAB Cc1ccccc1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1 2095128 RYQWEVVGWBKNLY-UHFFFAOYSA-N 352.386 4.006 0 40 FIAB biogenic Cc1cccc(C)c1NC(=O)c1cc2cc(Br)ccc2oc1=O 2286675 ZLWICMDEAJNRMQ-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB CCOCCCn1c(-c2cccc(OC)c2)nc2nc3ccccc3nc21 2400573 BJUUJLCCFNFMNS-UHFFFAOYSA-N 362.433 4.082 0 40 FIAB COc1ccccc1NC(=O)c1c(NC(=O)C(C)C)sc2c1CCC2 3107277 KJTPLBUCSWWOPO-UHFFFAOYSA-N 358.463 4.092 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CNc2cccc(C)c2)C1=O 3208573 DQYLLXCVOJROOT-BOPFTXTBSA-N 354.431 4.110 0 40 FIAB CCC[C@H](C)NC(=O)COc1ncnc2scc(-c3ccc(C)cc3)c12 3597428 BQTLKGUFPFIXCW-AWEZNQCLSA-N 369.490 4.350 0 40 FIAB CC(=O)Nc1ccc2nc(SCC(=O)OCc3ccccc3)sc2c1 3847042 LEKHBUKIWFEVEK-UHFFFAOYSA-N 372.471 4.090 0 40 FIAB biogenic CCCOc1ccc(NC(=O)CCC(=O)N[C@H](C)c2ccccc2)cc1 4615613 GXFHOEWQBTUNMD-MRXNPFEDSA-N 354.450 4.072 0 40 FIAB O=C(O)c1ccc(CNCc2cccc(OCc3ccc(F)cc3)c2)cc1 5204433 WBVNJGZSBPQLPP-UHFFFAOYSA-N 365.404 4.393 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 6510229 MRYHKCYZYWQKNK-UHFFFAOYSA-N 354.494 4.324 0 40 FIAB COc1ccc(CNC(=S)N(Cc2ccccc2)CC(F)(F)F)cc1 7014720 IHBYIGURMAVXRH-UHFFFAOYSA-N 368.424 4.134 0 40 FIAB CC(=O)Nc1ccc(SC[C@@H](O)COc2cccc3ccccc23)cc1 7205919 WWLGQZWZIUVWOX-SFHVURJKSA-N 367.470 4.330 0 40 FIAB COc1cc(CSc2nnc(-c3ccco3)o2)ccc1OC(F)F 7392379 MZJKTSLIRJNZPP-UHFFFAOYSA-N 354.334 4.232 0 40 FIAB CN(C(=O)c1cc(N)cc(C(=O)N(C)C2CCCCC2)c1)C1CCCCC1 7468208 GUGNNGQVWACGTL-UHFFFAOYSA-N 371.525 4.078 0 40 FIAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1F 7909564 VDVQHJGVMBCLMF-MRXNPFEDSA-N 373.428 4.350 0 40 FIAB CSc1ccc(CN(C)CC(=O)Nc2ccc(F)cc2Cl)cc1 8066263 FRIIWCWDKQRWCD-UHFFFAOYSA-N 352.862 4.272 0 40 FIAB Cc1cc(NC(=O)C(F)(F)F)ccc1NC(=O)c1cc2ccccc2o1 8071215 SZEWGHKKHKXETM-UHFFFAOYSA-N 362.307 4.494 0 40 FIAB Cc1c(C(=O)CSc2nnnn2C2CCCC2)sc2ccccc12 8401255 VDMRJWDRTNMCKK-UHFFFAOYSA-N 358.492 4.286 0 40 FIAB CN(C)C(=O)C1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 8751856 PDCRCFKDCDWYMK-UHFFFAOYSA-N 361.489 4.135 0 40 FIAB Cc1nc2c(=O)n(Cc3ccccc3F)nc(-c3ccccc3)c2s1 8955043 YDHVAHLLYGDVAS-UHFFFAOYSA-N 351.406 4.016 0 40 FIAB CCCNc1nc(Nc2cccc(OC)c2)c2cnn(-c3ccccc3)c2n1 9573605 JSISRSYRSNZKJJ-UHFFFAOYSA-N 374.448 4.390 0 40 FIAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)N2CCCCCC2)c(C)c1 9609790 HIOPZDYNOKDSII-QGZVFWFLSA-N 357.523 4.372 0 40 FIAB COc1ccc(SCCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 10219542 NKWXANGZBZSUBO-UHFFFAOYSA-N 374.487 4.434 0 40 FIAB CC(C)Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10445898 DIFJYJOGJJXESM-UHFFFAOYSA-N 364.489 4.376 0 40 FIAB Cc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 11035976 CSUDFUBWVPOGSJ-HXUWFJFHSA-N 374.400 4.338 0 40 FIAB CC(C)n1ncc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc21 11771304 AKNNTUWZRNPYOX-UHFFFAOYSA-N 364.327 4.163 0 40 FIAB COCCn1c(SCCOc2cc(C)ccc2C)nc2ccccc21 12062290 NQRZABDIDRLJMY-UHFFFAOYSA-N 356.491 4.471 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 12600523 OHIWGFZCSVOYHP-QGZVFWFLSA-N 370.880 4.448 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 12729726 YYDBXVSLNMMFQB-UHFFFAOYSA-N 363.417 4.019 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CC[C@H]2CCCC[C@H]2C1 12770835 FRQSUNCSAMGREV-MOPGFXCFSA-N 374.488 4.132 0 40 FIAB C[C@H]1CN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C[C@H](C)O1 12809265 IEQDOTSSUWILRT-KBPBESRZSA-N 352.459 4.213 0 40 FIAB COc1ccc2cc(COC(=O)c3n[nH]c4ccccc34)c(Cl)nc2c1 12823097 XRURKZMHSMFMME-UHFFFAOYSA-N 367.792 4.130 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3cccc(Cl)c3)c(C)n2n1 12919786 CDJOIEBGXDAZQU-ZDUSSCGKSA-N 370.884 4.118 0 40 FIAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccs1 14197865 LWPBHCWGZHOMLM-OAHLLOKOSA-N 364.470 4.268 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 15883105 XZWLXZVIRVBAOQ-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(NCCC1=CCCCC1)c1nnc(Cc2c(F)cccc2Cl)o1 16383797 NNLQGMLZUWRJPV-UHFFFAOYSA-N 363.820 4.073 0 40 FIAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(C(F)(F)F)cc1 16968849 XDUMAMAZWVWRAU-UHFFFAOYSA-N 363.379 4.184 0 40 FIAB Cc1ncsc1-c1nnc([C@H]2CCCN2Cc2cccc(Cl)c2)o1 19563025 BUJVBMULGDWYAW-CQSZACIVSA-N 360.870 4.492 0 40 FIAB O=C(COc1ccccc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20143725 QMDYUWIZNNNGNO-UHFFFAOYSA-N 357.793 4.110 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(C(F)(F)F)c1 20894266 NENUMGICQRSBNI-UHFFFAOYSA-N 367.352 4.388 0 40 FIAB Cc1nc2c3ccccc3nc(SCCCOc3ccccc3)n2n1 22201368 BXWHJGUFFXWUFT-UHFFFAOYSA-N 350.447 4.147 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 22540339 FFADQWQXLIPXBS-KRWDZBQOSA-N 361.507 4.358 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C 25331365 RMADLLHHSAQSQX-WBMJQRKESA-N 368.955 4.301 0 40 FIAB Cc1ccc(-n2cnnc2SCC(=O)N(C)C2CCC(C)CC2)cc1C 25628540 LANGVEFREAPMOY-UHFFFAOYSA-N 372.538 4.013 0 40 FIAB C[C@@H]1CCCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C1 27325679 XCKQXESTHXLOSJ-OAHLLOKOSA-N 371.864 4.208 0 40 FIAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CCCc2ccccc21 29282296 VDDKQQLHAKKPRT-HNNXBMFYSA-N 363.486 4.398 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)N3CCn4c3nc3ccccc34)ccc2c1 29376079 XZKILSHPWDIRBF-HNNXBMFYSA-N 371.440 4.348 0 40 FIAB CC(C)(C)SCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 30854052 ILPWLPXIHWRRON-UHFFFAOYSA-N 365.520 4.289 0 40 FIAB COc1ccccc1-c1nc(COC(=O)c2ccc(C(C)=O)s2)cs1 31005369 RBDNMYSYDQLTAF-UHFFFAOYSA-N 373.455 4.440 0 40 FIAB CCn1c(=O)n2nc(-c3ccccc3)nc2c2c(-c3ccccc3)csc21 32089160 UQGSWLVEVHQOJG-UHFFFAOYSA-N 372.453 4.460 0 40 FIAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccco4)cc3)n2)cc1 33539596 UVIKZEWDYBRSCC-UHFFFAOYSA-N 361.357 4.258 0 40 FIAB CCCn1c(=O)n(CCC(=O)N(c2ccccc2)C(C)C)c2ccccc21 40150719 SQLPGTXJIPMGNE-UHFFFAOYSA-N 365.477 4.045 0 40 FIAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(OC)cc1 44936464 PTBMCDWUODCNBK-OAQYLSRUSA-N 352.478 4.172 0 40 FIAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(Cl)s1 46293935 WPHLGYOUTCPXOK-GFCCVEGCSA-N 362.882 4.015 0 40 FIAB Cc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)s1 46600795 BCABYUACSGVRAS-OLZOCXBDSA-N 371.506 4.371 0 40 FIAB Cc1ccc(C(=O)N2CCn3cccc3[C@H]2C)cc1NC(=O)c1ccccc1 47456598 IXHUXNYVWZURBS-QGZVFWFLSA-N 373.456 4.266 0 40 FIAB O=C(NCc1ccccc1OC(F)F)Nc1cccc(OC(F)F)c1 47908614 VUZPABVXMYLYAP-UHFFFAOYSA-N 358.291 4.211 0 40 FIAB Cc1nc2ccc(C(=O)N3CCCCC[C@H]3c3cccn3C)cc2nc1C 57817687 RLIKMSSLRNNGIX-NRFANRHFSA-N 362.477 4.343 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)c1cccs1 58157913 LJMBJLQXHUJBRM-MSOLQXFVSA-N 370.518 4.244 0 40 FIAB CCCCOc1ccc(NC(=O)NC[C@](C)(O)CCc2ccccc2)cc1 62021544 CICFBNZJOXIZGE-JOCHJYFZSA-N 370.493 4.371 0 40 FIAB CC(=O)N[C@H]1C[C@@H](c2c(C)nn(-c3ccccc3)c2C)O[C@@H](C(C)(C)C)C1 65461984 AZRMWXJJVTTWFK-YSIASYRMSA-N 369.509 4.260 0 40 FIAB Cc1ccc([C@H](C)N(C)c2cc(C)nc3nc(C(F)(F)F)nn23)c(C)c1 65553671 XCIYDUNWHMBMBC-ZDUSSCGKSA-N 363.387 4.266 0 40 FIAB Clc1cc2c(cc1NCc1nc(-c3cccs3)no1)OCCCO2 71795947 SSYIBFJHCZFNFA-UHFFFAOYSA-N 363.826 4.225 0 40 FIAB CC[C@H](NC(=O)NCCc1csc(C(C)C)n1)c1ccc(OC)cc1 72083172 WKNWMXJAABIBGS-KRWDZBQOSA-N 361.511 4.268 0 40 FIAB Cc1cccc2cc3c(nc12)OCC(=O)N(Cc1ccc(Cl)cc1)C3 72341561 CKXKEKHAIGOTRF-UHFFFAOYSA-N 352.821 4.118 0 40 FIAB CC(C)CCN1C[C@]2(CCCN(c3nc4ccccc4o3)C2)CCC1=O 85533918 GAUWOXZSEKVDHR-NRFANRHFSA-N 355.482 4.083 0 40 FIAB CCOc1ccc(Oc2ccccc2NC(=O)C[C@](C)(O)C2CC2)cc1 89991176 MQCXKNSLBVPTKN-NRFANRHFSA-N 355.434 4.367 0 40 FIAB O=C(c1ccc(F)cc1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261322 JSPJDJSWHPLAII-LEWJYISDSA-N 353.437 4.078 0 40 FIAB COc1ccc(C2=N/C(=C/C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)cc1 96935612 QWZZAINMVUITMP-RQZCQDPDSA-N 367.788 4.012 0 40 FIAB CCOc1cccc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)c1 98008646 RDMAONVWSMNSFU-GDNBJRDFSA-N 352.459 4.418 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@H]1C[C@H]2CC[C@H]1C2 110538361 DCYXTQSPAOVLME-KHSSZTOVSA-N 358.482 4.433 0 40 FIAB COc1ccc(Br)cc1C(=O)Oc1ccc(C)cc1C(C)=O 113839134 RXLXOCZHLNNETG-UHFFFAOYSA-N 363.207 4.188 0 40 FIAB COc1ccc(CCCNC(=O)CCc2ccc(Cl)cc2)cc1OC 122321244 MUEQRJKGKVXUQC-UHFFFAOYSA-N 361.869 4.039 0 40 FIAB O=C(c1ccc2nsnc2c1)N1CCS[C@H](c2ccccc2)CC1 211143533 LFIZMWMLZHUTEY-KRWDZBQOSA-N 355.488 4.012 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1 218924883 JLLJRBOPWCKHJE-INIZCTEOSA-N 361.869 4.228 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)N1CCC(Cc2ccccc2)CC1 222662773 HXBWUWPDNIFYSE-UHFFFAOYSA-N 363.501 4.426 0 40 FIAB Cc1ccccc1OCCNC(=O)c1ccccc1OCc1ccccc1 224274053 PALKFCGOZDHNAS-UHFFFAOYSA-N 361.441 4.383 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOCc2ccccc2)c1 225144055 YIPLVVIPMRWLPF-SFHVURJKSA-N 355.478 4.219 0 40 FIAB COc1ccc(CCNC(=S)Nc2ccc(OC(C)C)cc2)cc1OC 225317005 WMVAXZOLWREQTP-UHFFFAOYSA-N 374.506 4.020 0 40 FIAB CC[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(OC)c(OC)c1 225719728 OYVVJSPTINUUFI-AWEZNQCLSA-N 366.433 4.420 0 40 FIAB COc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1 226272159 ULAIEETWEKRQQL-UHFFFAOYSA-N 350.296 4.029 0 40 FIAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2cccnc2)CC1 306122972 ABDQEWVOTPIEEB-UHFFFAOYSA-N 374.488 4.410 0 40 FIAB CC(C)(C)SC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Cl 390832254 YFHYKZUSGNLPRM-ZDUSSCGKSA-N 361.960 4.415 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 409412880 XOEIHHKRZIVWCQ-YICCBXQDSA-N 351.494 4.150 0 40 FIAB COc1ccccc1Oc1ccc(CNC(=O)c2c(C)nsc2C)cc1 550961782 JRSQHQSVSVSLIL-UHFFFAOYSA-N 368.458 4.491 0 40 FIAB O=C1Nc2ccc(Br)cc2/C1=C/c1cccc2cnccc12 1320003534 JOHZBCOFUULMSZ-PXNMLYILSA-N 351.203 4.490 0 40 FIAB Cc1ncccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1cccc(F)c1 1615158582 REVWIBIZSFCXPN-PMACEKPBSA-N 367.468 4.191 0 40 FIAB O=C(N[C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1cnn2c1NCCC2 1627354537 MAJYMNDFSKCMEK-SJLPKXTDSA-N 372.900 4.198 0 40 FIAB COC(=O)c1cc(-c2cc(C(=O)OC)c3ccccc3n2)nc2ccccc12 937554 LPVYIWDMJJPHFH-UHFFFAOYSA-N 372.380 4.023 0 40 FIAB biogenic O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2cccc(Cl)c2)c1=O 1391131 YXUBPBMRMBFJSO-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)Cc1ccccc1-3)OC(=O)C2 1713728 BJJKZMROLWEYET-XMMPIXPASA-N 372.420 4.464 0 40 FIAB CCCCOC(=O)c1cccc(NC(=O)COc2c(C)cccc2C)c1 1807931 MYNNSPCUPXAKNK-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB CC(C)OC(=O)N[C@H](OCCc1ccccc1)C(Cl)(Cl)Cl 2689741 WQRPIIIGHKKWTR-GFCCVEGCSA-N 354.661 4.077 0 40 FIAB CSc1ncccc1C(=O)OCC(=O)c1ccc(Cl)cc1Cl 3315492 ZWJIQGIWWIXUSZ-UHFFFAOYSA-N 356.230 4.150 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)NC1CCCCCC1 3341374 IBWJSMYKSTVUNZ-UHFFFAOYSA-N 367.445 4.055 0 40 FIAB CCN(CC)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 4660766 ODEDHYVRMQALHI-UHFFFAOYSA-N 352.887 4.295 0 40 FIAB CCN(CC)C(=O)CSc1nc(-c2cccs2)nc2ccccc12 5287917 LTUAOYPXDZUTMI-UHFFFAOYSA-N 357.504 4.319 0 40 FIAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 5296464 JOVMGMZFXVTCIX-DSKINZAPSA-N 371.502 4.265 0 40 FIAB COc1ccc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 5527315 PVYCXSFYCPAMMJ-UHFFFAOYSA-N 368.355 4.087 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccs2)c1 5936471 YJRNSDXWMADDPJ-UHFFFAOYSA-N 350.443 4.239 0 40 FIAB CC(C)OC(=O)c1ccc(COc2ncnc3sc4c(c23)CCCC4)o1 5944241 RTOOBNSMJGZLGO-UHFFFAOYSA-N 372.446 4.307 0 40 FIAB CC(C)Oc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 6346029 TWILDZDPCCFQTG-AWEZNQCLSA-N 372.852 4.119 0 40 FIAB CCN(CC)Cc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 6629865 CEVKRVXDWVWBQC-NTCAYCPXSA-N 367.518 4.055 0 40 FIAB COc1cc(C(=O)OCc2ccc(SC)cc2)ccc1OC(F)F 6949032 UXBMWFFCRHDKIW-UHFFFAOYSA-N 354.374 4.376 0 40 FIAB CCN1C(=O)/C(=C\c2cccc(F)c2)S/C1=N/c1ccc(OC)cc1 6954460 GRJAENROCZJXIY-HWWZFDGNSA-N 356.422 4.458 0 40 FIAB O=C(NCc1ccco1)c1cn(Cc2ccccc2)nc1-c1cccs1 7737946 JDIRUXTZEYTENH-UHFFFAOYSA-N 363.442 4.183 0 40 FIAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2ccccc2)o1 7905656 POFDTLCXYWNXAK-NSHDSACASA-N 353.451 4.394 0 40 FIAB Cc1ccn2cc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)nc2c1 8280124 REJVNFBIALBPSY-UHFFFAOYSA-N 371.396 4.114 0 40 FIAB CC(C)n1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccco1 8388963 IJZOJCHAOJEDIZ-CQSZACIVSA-N 370.478 4.089 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1 8578310 VRFWIBANEXJTKA-AYHJJNSGSA-N 355.507 4.070 0 40 FIAB O=c1c2ccc(Cl)cc2ncn1Cc1csc(-c2cccs2)n1 8748168 OZIVCXIWJCCUTM-UHFFFAOYSA-N 359.863 4.283 0 40 FIAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nc(C)c(C)c(C)n1 8881289 XATWLHBRVVVJOI-UHFFFAOYSA-N 369.446 4.081 0 40 FIAB COc1ccccc1C(=O)N(C(=O)N1CCCCC1)c1ccc(C)cc1 9317755 XBMLZMQLTJODKQ-UHFFFAOYSA-N 352.434 4.256 0 40 FIAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCc2sccc2C1 10107408 XJLQUACJROXFSA-LLVKDONJSA-N 370.396 4.032 0 40 FIAB CCOc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12601831 NOCYAYUUWAZEBH-JKIKYLSZSA-N 361.445 4.339 0 40 FIAB Cc1ccccc1C(=O)NCc1nc2ccccc2n1Cc1ccccc1 12618189 AVPNBBWWZVXKDL-UHFFFAOYSA-N 355.441 4.323 0 40 FIAB COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccccc2)C2CC2)cc1Cl 12677287 NYDXVNLXYTXEJP-DJJJIMSYSA-N 358.869 4.417 0 40 FIAB O=C(CSc1n[nH]c(/C=C/c2ccccc2)n1)c1cc(F)ccc1F 12972425 UVXPJJYNUGGHOD-RMKNXTFCSA-N 357.385 4.228 0 40 FIAB COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 13020191 RSRKVJNOMGPRTD-MGPUTAFESA-N 356.441 4.307 0 40 FIAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(Br)cc1 13672235 CXJSJIAFYFODPF-UHFFFAOYSA-N 352.659 4.465 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(C(F)(F)F)cc1 14169513 AZPZRHXOZPIJOI-MRXNPFEDSA-N 366.383 4.255 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 15014026 ZCWWTRCOLLXPJX-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)cc1 19209642 ANYOWTRCVYYJMB-FQEVSTJZSA-N 360.461 4.076 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc2c(s1)CCCC2 20935675 WGFFDNZSCWZPPE-INIZCTEOSA-N 358.507 4.177 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)c1cccc(Nc2ncccn2)c1 24749237 HKEFAQZIIAKXBC-CYBMUJFWSA-N 350.447 4.041 0 40 FIAB Cn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccncc1 24770797 GEFQTKCFDHSQEZ-UHFFFAOYSA-N 371.775 4.096 0 40 FIAB C[C@@H](Oc1ccccc1F)C(=O)NCCc1csc(-c2ccccc2)n1 27993552 NETSQEBNLKCGMR-CQSZACIVSA-N 370.449 4.075 0 40 FIAB COC(=O)C[C@H](NC(=O)c1cc(C)n(C2CC2)c1C)c1ccccc1Cl 30374589 RPRQRNXAALRVBN-SFHVURJKSA-N 374.868 4.127 0 40 FIAB COc1cccc([C@@H](NCc2ccc(SC)cc2)c2nccn2C)c1 30647466 UJFGLPHMYRXJHT-LJQANCHMSA-N 353.491 4.030 0 40 FIAB CCCCC[C@H](O)/C=C\[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O 31308944 XZFRIPGNUQRGPI-CBRLFFJYSA-N 350.499 4.072 0 40 FIAB COC(=O)c1cccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)c1 31491097 FJYKBEVMQGBWMV-UHFFFAOYSA-N 356.403 4.059 0 40 FIAB O=C(Nc1ccc2oc(=O)[nH]c2c1)C1(c2cccc(Cl)c2)CCCC1 32160986 URXCBRJAMBMALM-UHFFFAOYSA-N 356.809 4.225 0 40 FIAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccc(-c2ccccc2F)o1 32502363 ITNNZUFFGGNEPR-AWEZNQCLSA-N 359.382 4.041 0 40 FIAB Cc1cc(NC(=O)[C@H](c2ccccc2)N(C)Cc2sccc2C)no1 32843123 NSTRBOAYIACCQE-SFHVURJKSA-N 355.463 4.165 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1O 36359243 PCPBROFRFRMYJW-CQSZACIVSA-N 369.808 4.364 0 40 FIAB CC(C)c1ccc2cc(C(=O)NC[C@H](c3ccco3)N3CCCC3)[nH]c2c1 40091462 PCWVNEJSLXZFRK-HXUWFJFHSA-N 365.477 4.451 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)nc1 40154798 VTTMJGHYDKCOOJ-QGZVFWFLSA-N 369.534 4.010 0 40 FIAB COc1ccc2c(C=O)c(C(=O)O)n(Cc3ccc(F)cc3Cl)c2c1 45795945 WUXUGIHOMALGJQ-UHFFFAOYSA-N 361.756 4.001 0 40 FIAB CN(C)C(=O)Cc1ccccc1NC(=O)c1ccc2c(c1)Cc1ccccc1-2 56238892 CWUCVDHGQTWUQB-UHFFFAOYSA-N 370.452 4.141 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(CCCc1ccccc1)C3 57327406 PLBLSDVYYJCFKV-UHFFFAOYSA-N 361.441 4.066 0 40 FIAB COc1ccc([C@H](CNCc2c(F)cccc2Cl)N2CCCC2)cc1 57681689 DIRSBWQZOKHBAY-FQEVSTJZSA-N 362.876 4.414 0 40 FIAB O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1ccc(Cl)nc1 59020546 SFAIYWXIAUNITJ-QGZVFWFLSA-N 370.811 4.424 0 40 FIAB Cc1noc(C)c1COC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1C 60902870 VPZBSUPDKMNLIH-UHFFFAOYSA-N 364.467 4.311 0 40 FIAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(C1CC1)CO3 61965296 YWBUAXUEJBHPSD-UHFFFAOYSA-N 361.441 4.315 0 40 FIAB Cc1cc(C)cc(Nc2nn3c(=O)c4ccc(Cl)cc4nc3s2)c1 65330013 KZGOTGYTRCBKOF-UHFFFAOYSA-N 356.838 4.318 0 40 FIAB C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)nc2)o1 70005786 XHBQIBBCNLQLRN-MAUKXSAKSA-N 353.466 4.360 0 40 FIAB CN(C)c1cccc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c1 72389696 PDXRHNSHFVFBGG-FQEVSTJZSA-N 359.473 4.321 0 40 FIAB O=C(CN1CCCCCC1=O)Nc1ccccc1Sc1ccccc1 95348575 JITYKZPOWFRNRS-UHFFFAOYSA-N 354.475 4.179 0 40 FIAB C[C@]1(NC(=O)CCc2nc(C3CCCC3)no2)CCCc2ccccc21 95966528 MYUHRSGBKQYQKL-NRFANRHFSA-N 353.466 4.028 0 40 FIAB Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccsc5)no4)cc3CO2)cc1 97087937 HKQUFENKBFIXDV-KRWDZBQOSA-N 364.430 4.242 0 40 FIAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c(OC)c1 100889466 NMJFWHJSKKZETL-IFXJQAMLSA-N 374.824 4.127 0 40 FIAB CCc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 106767098 YQHCDIWUFJERBG-JXAWBTAJSA-N 353.443 4.364 0 40 FIAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccccc1 205618760 BCSQBAUWILFNLA-RGEXLXHISA-N 362.454 4.466 0 40 FIAB CO[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 206851414 IGIHSIQQZSVPSN-HNNXBMFYSA-N 373.758 4.356 0 40 FIAB COc1ccc(CNC(=S)Nc2nc(C)c(Cl)cc2Cl)cc1 223924866 XVCLOCSDBDBOEI-UHFFFAOYSA-N 356.278 4.192 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 224055854 FOZIUPLVENWEGN-VIFPVBQESA-N 357.888 4.098 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)NCCC3=CCCCC3)o2)cc1 224852043 RNQBLBCWNSPMEL-UHFFFAOYSA-N 354.450 4.290 0 40 FIAB Cc1ccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225389010 BLLKVFSCUKDLDH-UHFFFAOYSA-N 367.518 4.041 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 225537626 CTWILZZQJWOPEI-INIZCTEOSA-N 367.518 4.478 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225730751 HDWYSZWIFFICRU-NRFANRHFSA-N 364.530 4.331 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCc2cccc(F)c2)ccc1Cl 225837313 MBSGPTNZNOEUHT-UHFFFAOYSA-N 366.845 4.142 0 40 FIAB CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 260841104 JICMJDSKRPXHJL-UWJYYQICSA-N 368.496 4.478 0 40 FIAB COc1cccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)c1 408625867 FWHOZFVPWLQKNP-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)c1 408656371 HQJQWGRHQLXDIP-KRWDZBQOSA-N 351.446 4.385 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]21)c1ccccc1 409374166 YAAFGUQUEQWLGZ-UGESXGAOSA-N 355.437 4.390 0 40 FIAB NC(=O)c1ccc(CN[C@@H]2CCCCc3cc(Br)ccc32)cc1 549522609 BZKNIIMQNHLFRZ-GOSISDBHSA-N 373.294 4.105 0 40 FIAB O=C(Cc1cccc(Cl)c1F)Nc1ccc(-c2ccccc2F)nn1 1289659082 GDYQQVODMGYLPR-UHFFFAOYSA-N 359.763 4.256 0 40 FIAB CC(=O)Nc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)nc1 1325283186 KMAJYBIAVQWTKJ-UHFFFAOYSA-N 357.841 4.144 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977649 JHCQGZLBNYLACF-GOSISDBHSA-N 371.889 4.461 0 40 FIAB COc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 846002 AIDKUWBPAHYCQZ-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB O=C(COC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 1289310 PFCQRPADHYBORF-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccccc1F 1377832 YPDHCYGCTJHXTM-HOTGVXAUSA-N 358.482 4.203 0 40 FIAB COC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CCC2 1932245 BUEJDXPZVHNYOE-UHFFFAOYSA-N 361.488 4.063 0 40 FIAB O=C1S[C@H](Nc2cccc(Br)c2)C(=O)N1c1ccccc1 2245004 GWAFFWHNMZVOAA-ZDUSSCGKSA-N 363.236 4.087 0 40 FIAB Cc1ccc(-n2cnc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1 2359044 IKPKOHBDLTUILT-UHFFFAOYSA-N 363.442 4.135 0 40 FIAB O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccccc1F 3225064 BSJUCMLVHFAYPE-UHFFFAOYSA-N 354.402 4.497 0 40 FIAB COc1cc(SC)ccc1C(=O)OCC(=O)c1cccc(Cl)c1 3299790 PKPYXIKLUXAXOG-UHFFFAOYSA-N 350.823 4.110 0 40 FIAB Cc1ccc2c(COC(=O)c3ccc(Br)cc3)cc(=O)oc2c1 3510635 IXEMEGAXQXPRGW-UHFFFAOYSA-N 373.202 4.221 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3532828 YBHSCUHPNKKMRS-UHFFFAOYSA-N 367.836 4.029 0 40 FIAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1ccccc1 4033222 SZYVEOGAZIQGEH-UHFFFAOYSA-N 359.389 4.049 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1OCC 4138030 FAAMVDWUOLWINH-UHFFFAOYSA-N 352.434 4.204 0 40 FIAB Cc1ccc(C)c(CSc2ncnc3c2nnn3-c2ccc(F)cc2)c1 4166711 YXFPZHKWWKTHEP-UHFFFAOYSA-N 365.437 4.259 0 40 FIAB CCCCOc1ccc(N2C(=O)CN=C2Nc2ccc(Cl)cc2)cc1 4860033 QLEXVOZZOHNORL-UHFFFAOYSA-N 357.841 4.334 0 40 FIAB Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccco1 5348706 IOLXOSZCIWGPRE-SFHVURJKSA-N 354.369 4.465 0 40 FIAB CCOc1ccc(N2C(=O)S/C(=C\c3ccc(C=O)cc3)C2=O)cc1 5552931 WFMNONZCUPINPF-BOPFTXTBSA-N 353.399 4.139 0 40 FIAB C[C@@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1 5652840 RIJGMMPQMNYOMG-CYBMUJFWSA-N 361.825 4.068 0 40 FIAB O=C(COc1cccc(Cl)c1)NCCOc1cccc2ccccc12 5876567 YTPNPPTYQPTBIK-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 6231657 FQBDYRXQEKPSPM-UHFFFAOYSA-N 373.714 4.105 0 40 FIAB Cc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6501950 HVXYPALWRWEDHO-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(F)c1)S[C@H](C)C(=O)N2 6678893 MGNGJNTUOUSTRJ-ACJLOTCBSA-N 367.449 4.483 0 40 FIAB Cc1c(Cl)cccc1NC(=S)N(C)C[C@H]1COc2ccccc2O1 6869309 PGHGVYISGDYPOX-ZDUSSCGKSA-N 362.882 4.117 0 40 FIAB CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 6883124 LCQSOYPVVNABPO-UHFFFAOYSA-N 354.277 4.433 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(SCC(C)C)s2)cc1 7232011 HPOKBCKACXHESR-UHFFFAOYSA-N 353.538 4.325 0 40 FIAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc2c(F)cccc2s1 7250497 AOMIZLIKNUDDDM-UHFFFAOYSA-N 354.362 4.447 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 7597323 CYRPVRMGBORRDR-IBGZPJMESA-N 370.493 4.044 0 40 FIAB C[C@H](OC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)N(C)C1CCCCC1 7737863 FNXQTMWVSVASME-JTQLQIEISA-N 374.264 4.035 0 40 FIAB COC(=O)C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1Cl 8276561 UKCRTSNSJDRCQH-OAHLLOKOSA-N 357.793 4.120 0 40 FIAB CCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1 8339096 MBYJNDNNGYNRPS-UHFFFAOYSA-N 374.897 4.479 0 40 FIAB CCOCc1c(C(=O)Nc2cccc(C(=O)OC)c2)oc2ccccc12 9114580 MYSLXLFLHRDGES-UHFFFAOYSA-N 353.374 4.008 0 40 FIAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)C)cc1 9158282 FPLYOAHWIOCRKN-UHFFFAOYSA-N 364.445 4.116 0 40 FIAB COc1ccc(-c2nnc3ccc(Nc4ccc(Cl)cc4)nn23)cc1 9184268 UAZXFGNFGYNBGR-UHFFFAOYSA-N 351.797 4.197 0 40 FIAB O=C(CSc1ccccc1)Nc1nnc(CCCc2ccccc2)s1 9668477 NDTHGQJHFHPSSL-UHFFFAOYSA-N 369.515 4.444 0 40 FIAB CC(=O)c1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cn1 9870130 QZBJKRYBBDPYTC-UHFFFAOYSA-N 354.353 4.034 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 10473030 JKJFDELNXRNXLV-UHFFFAOYSA-N 368.477 4.357 0 40 FIAB CC[C@@H](C(=O)Nc1ccc(C)cc1)n1c(=O)cc(C)c2cccc(OC)c21 11999990 MOALOBOLVPZOGA-SFHVURJKSA-N 364.445 4.217 0 40 FIAB COc1cc(C(=O)CCNc2ccc(F)c(Cl)c2)cc(OC)c1OC 12418490 CGVFTKMEVLRGLY-UHFFFAOYSA-N 367.804 4.190 0 40 FIAB biogenic,in-vitro COc1ccc(C(C)(C)C)cc1NC(=O)C1(CC(=O)NC2CC2)CCCC1 12846796 LGHBLSDKJGQFQE-UHFFFAOYSA-N 372.509 4.160 0 40 FIAB Cc1cccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 13233548 RCDMZMLCIVEFRF-HXUWFJFHSA-N 372.468 4.375 0 40 FIAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccnc3)ccc12 13284521 UELRUNMMLZXWDZ-UHFFFAOYSA-N 364.405 4.332 0 40 FIAB COc1cccc(CCN2CCOc3nc4c(C)c(C)ccc4cc3C2)c1 13563801 FWKQBQFKGPVIEG-UHFFFAOYSA-N 362.473 4.297 0 40 FIAB O=C(CCn1ccc2cc(Br)ccc21)Nc1ccc(O)cc1 13689421 MGUAKYJVYPXJHK-UHFFFAOYSA-N 359.223 4.138 0 40 FIAB COc1cc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc(OC)c1 13935157 BGVSHFUNOCDYAV-UHFFFAOYSA-N 352.843 4.175 0 40 FIAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@H](c1ccccc1)C1CC1 14199657 SGCZIJVZXLJLLE-GOSISDBHSA-N 355.306 4.192 0 40 FIAB CC(C)(C)c1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)cc1 14339566 QTKTWVRWMKOVAE-UHFFFAOYSA-N 354.475 4.062 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 15496380 XMXCADDXBYMYBQ-JTQLQIEISA-N 351.233 4.443 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1nnc(C2CCCCC2)s1 16722809 CPVHSSKCBSZLCU-UHFFFAOYSA-N 369.494 4.137 0 40 FIAB CCCCn1nc(NC(=O)c2ccccn2)c2cc3ccc(C)cc3nc21 16956429 RSBBBXUQZVIGNM-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB Cc1cccc(OCc2nnc(S)n2-c2cccc(C(F)(F)F)c2)c1 17075045 ZDYPACQVOALBTQ-UHFFFAOYSA-N 365.380 4.462 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCN(Cc2ccccc2)C1 18180463 QABBWCBZTLWYKF-HNNXBMFYSA-N 364.276 4.389 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 20029950 YGKYVHJRLSQJOQ-UHFFFAOYSA-N 363.332 4.044 0 40 FIAB CSc1nc(C)c(CCC(=O)N(C)C2C3CC4CC(C3)CC2C4)c(C)n1 24925510 QJTKTRHZHMXUBC-UHFFFAOYSA-N 373.566 4.031 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(Cn2ccnc2)c1 25175770 HRQALKXASIQEAV-UHFFFAOYSA-N 358.401 4.147 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)N(C)C 25331363 RMADLLHHSAQSQX-MLGOLLRUSA-N 368.955 4.301 0 40 FIAB O=C(Nc1ccccc1N1CCCC1)c1nn(-c2ccccc2)c2c1CCC2 28009938 YVOIEVCEBRQDEW-UHFFFAOYSA-N 372.472 4.214 0 40 FIAB Cc1cc(OCC(=O)Nc2ccnn2Cc2ccccc2)cc(C)c1Cl 28290725 YVCFSXNQCHRRFS-UHFFFAOYSA-N 369.852 4.219 0 40 FIAB O=C(O[C@H]1CCCC[C@@H]1OC(=O)c1ccccc1F)c1ccccc1F 28294364 FHRJEALJEXADSX-ROUUACIJSA-N 360.356 4.290 0 40 FIAB CN(C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 29258719 AVZBPZPHQAPKBP-MJGOQNOKSA-N 372.509 4.170 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc(Cl)cc1 30367297 DHMPGHJUFHQZKA-PEJPJJPESA-N 355.821 4.446 0 40 FIAB CN(Cc1ccc(F)c(F)c1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 32760778 CBCOZTHPOKJCIF-UHFFFAOYSA-N 361.779 4.281 0 40 FIAB O=C(CSCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1 33250297 OTANVJHFCVHPLT-UHFFFAOYSA-N 359.838 4.262 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2c(F)cccc2F)c1 36358694 HEIAPTRUMZKJJM-CYBMUJFWSA-N 355.344 4.283 0 40 FIAB Cc1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38848703 XDQWHJITONPMHJ-IBGZPJMESA-N 356.897 4.177 0 40 FIAB C[S@@](=O)Cc1cccc(C(=O)NCC2(c3ccccc3)CCCCC2)c1 40082936 VEUZXZPABMMHIN-SANMLTNESA-N 369.530 4.197 0 40 FIAB C[C@@H](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)NC(=O)c1ccccc1 40152023 DXWZAEXYGOTBFI-JTSKRJEESA-N 364.489 4.243 0 40 FIAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2F)N1Cc1ccccn1 40485842 JDGQIZSLYWRRAR-FQEVSTJZSA-N 360.388 4.274 0 40 FIAB Cc1ncc(NC(=O)C(C)(C)C)n1-c1nc(-c2ccc(F)cc2)cs1 41124288 QTDZEWGTHYXDRZ-UHFFFAOYSA-N 358.442 4.428 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)Cc3cccc(F)c3)CC2)c(C)c1 46393863 RUYRPYBICULHKO-UHFFFAOYSA-N 353.437 4.107 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 47340883 VEWWGIGNBMODAY-LSDHHAIUSA-N 357.475 4.124 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc2c(s1)CCCCC2 48333490 FFIUGLHJXXFVGG-UHFFFAOYSA-N 360.527 4.063 0 40 FIAB C[C@@](O)(CCc1ccccc1)CNC(=O)NCc1cccc2ccccc12 62021535 MUSKHGIQTWKLNC-HSZRJFAPSA-N 362.473 4.023 0 40 FIAB Cc1ccc(CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C2CC2)o1 65474686 GHCASWJZDZSRKT-UHFFFAOYSA-N 355.825 4.436 0 40 FIAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349786 RPMKFQXPSWYQII-HNNXBMFYSA-N 366.852 4.145 0 40 FIAB Cn1cc(CN2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cn1 72358131 PRUYVGZBZTUSDK-NRFANRHFSA-N 366.896 4.396 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CCCCC2 79473334 BRTAVWYRVUWOCD-YLJYHZDGSA-N 368.521 4.350 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)nc1Cl 84392851 SJCZZVNJTRHWOX-DZGCQCFKSA-N 369.223 4.178 0 40 FIAB Cc1ccccc1COC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 91953482 OLNYZKKQGCENEU-UHFFFAOYSA-N 367.464 4.374 0 40 FIAB Fc1ccccc1CN1CCC[C@@]2(C[C@@H](OCc3ccccc3)CO2)C1 96073566 CTDOCRYLOQQYHN-IFMALSPDSA-N 355.453 4.166 0 40 FIAB CC(C)Cc1cc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)n[nH]1 96194032 JAZGMIFIVFDOAX-UHFFFAOYSA-N 364.434 4.188 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1c(-c2ccccn2)noc1C 131569636 KBCNPUAYXBVIFT-HNNXBMFYSA-N 353.447 4.256 0 40 FIAB CCOP(=O)(OCC)[C@@H]1C[C@H]2C(=O)CCC[C@H]2N1Cc1ccccc1 212418656 UATNRRXZECKLMU-ZHALLVOQSA-N 365.410 4.222 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCC[C@@H]1CC 215956088 ONESPQPJKIGFOC-HKUYNNGSSA-N 366.933 4.268 0 40 FIAB COC(=O)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2C)CC1 219281125 ILSKWACKYHQPSK-IBGZPJMESA-N 369.486 4.102 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 225477659 SNAYVUCIXLAFCD-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225736908 BAZISHPNPOVXBP-UHFFFAOYSA-N 368.864 4.418 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OCC)ccc1OCC(C)C 225816945 MQVANAPYLVKQQY-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2Cc2cscn2)n1 257269415 MPWFYPZJHNZEGT-KRWDZBQOSA-N 366.494 4.107 0 40 FIAB O=C1Nc2ccccc2/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 409112128 BAVPUPCGLSZWQL-UYRXBGFRSA-N 371.392 4.457 0 40 FIAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1 409374260 ZEKDKCJKMAGELJ-SEIRJHJZSA-N 371.436 4.090 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)Nc2ccccc2C)c2ccsc2)n1 575614210 POIICWAYTKXLDG-GOSISDBHSA-N 354.479 4.281 0 40 FIAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ncn2cc(Cl)ccc12 1615554625 VKTSHGFXEPXHAH-UHFFFAOYSA-N 366.833 4.268 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3ccc4nc(C)c(C)n4n3)c2)cs1 2298112362 KTRHBEPLQOIJLD-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB Cc1ccccc1OCc1nn2c(-c3ccccc3Cl)nnc2s1 641673 VUJDTWDBJMINHV-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 788102 ZGHOTWKDSIEAIB-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)c3ccc4c(c3)OCO4)nc2c1 952921 OUJGUHKUZWWVSB-UHFFFAOYSA-N 367.426 4.256 0 40 FIAB Cc1ccccc1OC(=O)c1cc2cc(Br)ccc2oc1=O 959171 YMAOSUFCHMAAHY-UHFFFAOYSA-N 359.175 4.083 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 998555 ZMBCZCPSOUEKGO-LLVKDONJSA-N 360.454 4.143 0 40 FIAB O=C(c1cc(-c2ccccc2)nc2ccccc12)n1nnc2ccccc21 1100067 JPYHLVWOGXMULR-UHFFFAOYSA-N 350.381 4.335 0 40 FIAB COc1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1 1332584 VTLLKQKVAMJCSL-UHFFFAOYSA-N 365.458 4.247 0 40 FIAB Cc1ccc2cc3c(N)c(C(=O)NCc4cccs4)sc3nc2c1 1342846 IVEPONUUXFJFCA-UHFFFAOYSA-N 353.472 4.332 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4ccc(O)cc4)nn12)C[C@@H](C)CC3 2357906 RZYRLZPARYDFHJ-JTQLQIEISA-N 350.447 4.145 0 40 FIAB Cc1ccc(-c2nnc3c4cnn(-c5ccc(C)cc5C)c4ncn23)cc1 2411316 WBTNMLHGUJFUIW-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB CSc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1C 2650396 HDMKGEBHWUAZOY-UHFFFAOYSA-N 355.415 4.259 0 40 FIAB O=C(COC(=O)c1cccs1)Nc1ccccc1Oc1ccccc1 3231925 FZWIUQKXJJNOEY-UHFFFAOYSA-N 353.399 4.336 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(Cl)cc1 4162630 HHDDIEWUKLIIOG-UHFFFAOYSA-N 373.792 4.280 0 40 FIAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc3ccccc3o2)c1C 4332240 UEGNAIQSUZNAJN-AWEZNQCLSA-N 369.417 4.098 0 40 FIAB CCC(=O)Oc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 4340701 XNWDQQHWPUNYGW-UHFFFAOYSA-N 368.385 4.101 0 40 FIAB biogenic CCOc1ccccc1C(=O)NCCc1csc(-c2ccc(F)cc2)n1 5146276 NXZKGOFEXPTJOZ-UHFFFAOYSA-N 370.449 4.320 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccsc3)cc2)cc1 5636659 MTKRNDLVNVHBPF-UHFFFAOYSA-N 366.442 4.190 0 40 FIAB CCOc1ccc2nc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)[nH]c2c1 5691580 BGFCFIXEWJBVIQ-NSHDSACASA-N 366.446 4.051 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 5718035 LMEGGPCADZARHY-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 6507429 RYMKOWCCDHGTTF-FQEVSTJZSA-N 364.376 4.346 0 40 FIAB C[C@]12Cc3sc(N)nc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 6571218 JJKFNRUISDUQCO-RTKKLYIXSA-N 360.567 4.434 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)cc1 6747634 BBRNFHCWVLEJIB-UHFFFAOYSA-N 353.393 4.335 0 40 FIAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)NC12CC3CC(CC(C3)C1)C2 6916474 KOBABZYEJDDGMP-BUBBNXEVSA-N 373.518 4.023 0 40 FIAB Cc1cc(COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)no1 6940451 GOQVYMLYKFYYQD-UHFFFAOYSA-N 353.403 4.049 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(F)cc1F)O[C@@H](C)C2 8034194 DOYQYCSRGUDTRJ-NTYUQYKDSA-N 359.372 4.339 0 40 FIAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1Br 8088513 RJAYVSPUAJCWLM-LBPRGKRZSA-N 355.235 4.488 0 40 FIAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 8429826 PGNFSVSTGCJXEI-NSHDSACASA-N 366.339 4.070 0 40 FIAB CCOc1ccc(-c2nnc(CN(C)[C@H](C)c3ccc(F)cc3)o2)cc1 8852720 SUAIBBJQWIRNMW-CQSZACIVSA-N 355.413 4.467 0 40 FIAB NC(=O)CCSc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1 10322666 YWAKXABXWNTXPA-UHFFFAOYSA-N 357.866 4.160 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c(C)c1 10404119 KBHQKHYNYFZOLU-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CC(=O)Nc1cccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 11072117 RLVMXCCBSBPJRD-UHFFFAOYSA-N 359.429 4.056 0 40 FIAB CCCC[C@@H](Sc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1 11672263 NRNZNBWWTDFBRV-MRXNPFEDSA-N 361.467 4.231 0 40 FIAB OC1(c2cccnc2)CCN(Cc2ccc(-c3cccc(F)c3)cc2)CC1 12363648 HVQINONOHLSNHO-UHFFFAOYSA-N 362.448 4.371 0 40 FIAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2OC)cc1 12903663 FFHVBFPRXXFOPA-FQEVSTJZSA-N 368.477 4.260 0 40 FIAB O=C1CCc2cc(OC(=O)COc3ccccc3-c3ccccc3)ccc2N1 13008241 LTINSKOZTKOBLW-UHFFFAOYSA-N 373.408 4.223 0 40 FIAB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 13562613 CABNKXINDRVAJY-MYNGYRLFSA-N 365.432 4.392 0 40 FIAB biogenic C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14007077 MVFOJQLUKOSQKM-ZDUSSCGKSA-N 374.868 4.274 0 40 FIAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1cccs1)C3 14607714 HSFSGGALYFBFFQ-AWEZNQCLSA-N 360.442 4.074 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)COCc1cc(-c2cccs2)on1 15679212 SPYHCBLTNOMKBH-HNNXBMFYSA-N 370.474 4.057 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(N2CCCC2=O)c1 18086418 CLIFBOQPVOPRCC-UHFFFAOYSA-N 362.882 4.191 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 18247029 AUCTWCKWYMANKF-HDICACEKSA-N 357.450 4.242 0 40 FIAB CC(=O)CSc1nnc(CNc2ccccc2)n1-c1ccc(Cl)cc1 19897514 PTXQZEFGGCJOQC-UHFFFAOYSA-N 372.881 4.214 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 20029962 URIRNZCXNHRUAQ-INIZCTEOSA-N 365.882 4.095 0 40 FIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)Cc1ccccc1 21580540 CNRRESVXGDSNNP-UHFFFAOYSA-N 357.413 4.420 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCC1(c2cccs2)CC1 22680302 QZUPZUGOJIBJSG-UHFFFAOYSA-N 356.274 4.282 0 40 FIAB CCc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(C)s2)N(C)C)cc1 22684003 IQWRGFXGXFBPAX-GOSISDBHSA-N 372.534 4.001 0 40 FIAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1 23053454 RCEUZOADDMOZLD-UHFFFAOYSA-N 355.825 4.442 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 23199917 XPYMEGAQXHWVLQ-LBPRGKRZSA-N 359.426 4.018 0 40 FIAB C[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1ccc(Cl)c(Cl)c1 23295013 KEKVOHTUDMUCFS-SNVBAGLBSA-N 371.289 4.052 0 40 FIAB CCOc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1OC 23650891 ROVZFVAJVWBMCQ-UHFFFAOYSA-N 374.525 4.013 0 40 FIAB COC(=O)c1cccc(COc2cc3oc(=O)cc(C)c3cc2Cl)c1 23874937 KPJOAPOTRQWODU-UHFFFAOYSA-N 358.777 4.120 0 40 FIAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H](c1ccccc1)c1ccc(F)cc1 24032448 SFDSFWIHXPLMMI-JOCHJYFZSA-N 373.431 4.284 0 40 FIAB CCc1cc(OC(=O)CCc2nc(-c3ccccc3)no2)ccc1Cl 26364861 CQLURGDGCMCLIC-UHFFFAOYSA-N 356.809 4.491 0 40 FIAB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)NCc1ccccc1Cl 28237333 DDXQASAQMMMHEX-UHFFFAOYSA-N 371.790 4.139 0 40 FIAB CC(=O)OCc1c(-c2ccccc2)nc2n1-c1c(ccc3cccnc13)CC2 32810327 VVHFVGKPKAHCSI-UHFFFAOYSA-N 369.424 4.249 0 40 FIAB COc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)no1 32830250 ODXDDFIFCDCMQV-LLVKDONJSA-N 358.344 4.119 0 40 FIAB CCCc1ccc([C@H](NC(=O)c2cnn(C)c2C)c2cccs2)cc1 32879724 QIUFRCOTINRNLV-IBGZPJMESA-N 353.491 4.262 0 40 FIAB Cc1ccccc1OCCC(=O)Nc1ccccc1C(=O)N1CCCCC1 32972110 LRONFZDJNXKONT-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB CCn1cc(CNc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)cn1 36613626 SYWAEDRSVVVUEX-UHFFFAOYSA-N 361.371 4.299 0 40 FIAB O=C(CCc1ccccc1)N1CCc2nc(-c3ccccc3F)sc2C1 36752085 QORBJTJZIWDSIV-UHFFFAOYSA-N 366.461 4.467 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38849373 SHFKTSJJUPFLKY-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB COC(=O)c1c(NC(=O)c2oc(Br)cc2C)sc(C)c1C 40140498 XGQBNBGWTVXIAG-UHFFFAOYSA-N 372.240 4.068 0 40 FIAB Brc1cccc([C@@H]2CC2(Br)Br)c1 49985939 MQSVZKPFYYVQLV-QMMMGPOBSA-N 354.867 4.423 0 40 FIAB Cc1nc(=O)c2cc(Cl)ccc2n1C1=CCN(Cc2cccs2)CC1 57731885 ZNFBMBPBGLLLCB-UHFFFAOYSA-N 371.893 4.167 0 40 FIAB COCc1c(C(=O)Nc2nnc(-c3ccsc3)s2)oc2ccccc12 58166496 CEVYYMUSZHPELR-UHFFFAOYSA-N 371.443 4.412 0 40 FIAB O=C(COc1ccc2ccc(C(F)(F)F)nc2c1)NC1CCCCCC1 58376927 UHQNWJMHWLNQQY-UHFFFAOYSA-N 366.383 4.471 0 40 FIAB O=C(CSc1ccc(O)cc1)Nc1ncc(C(F)(F)F)cc1Cl 65493333 PUDOSPQKUGYODI-UHFFFAOYSA-N 362.760 4.190 0 40 FIAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1 67299158 RWORKCAHCSBUTF-GYHWCHFESA-N 374.396 4.202 0 40 FIAB O=C(Nc1cccnc1Cl)N1CCn2cccc2[C@@H]1c1ccccc1 68650864 YNXOCVJGQCFNFG-KRWDZBQOSA-N 352.825 4.174 0 40 FIAB COc1cccc2sc(N(C)CC(=O)Nc3ccc(Cl)cc3)nc12 70973278 ZURBFDXQENDFRH-UHFFFAOYSA-N 361.854 4.033 0 40 FIAB Cc1cc2c(s1)c1cnn(CC3CC3)c(=O)c1n2Cc1ccc(F)cc1 72334545 HHPJAGDXVJFBAN-UHFFFAOYSA-N 367.449 4.319 0 40 FIAB Cc1cccc(CN2CCC[C@@H]2c2cncc(Oc3cccnc3C)n2)n1 72384173 UIEIDAWOKQWLAI-LJQANCHMSA-N 361.449 4.013 0 40 FIAB Cc1cc2occ(CC(=O)NCC(=O)Nc3ccccc3Cl)c2cc1C 72427619 IFJKGLPZFZHFNS-UHFFFAOYSA-N 370.836 4.000 0 40 FIAB Cc1nc(-c2ccc(C)c(NC(=O)NCCc3ccc(Cl)cc3)c2)n[nH]1 75105203 FHZKENFUBNADTL-UHFFFAOYSA-N 369.856 4.106 0 40 FIAB O=S(=O)(c1cccc2ccccc12)N(CCc1cccs1)C1CC1 75154821 VHUBTJYEUGETTQ-UHFFFAOYSA-N 357.500 4.297 0 40 FIAB O=C(NCC[C@H](O)c1cccc2ccccc12)Nc1c(F)cccc1F 77119038 GVDUCEJGIVZLQW-SFHVURJKSA-N 356.372 4.363 0 40 FIAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc2N1 78403939 USVYQVJQQQOLIU-SECBINFHSA-N 357.262 4.151 0 40 FIAB CC(C)(C)OC(=O)NCC(Cc1ccccc1)(Cc1ccccc1)C(=O)O 95634863 IYOLPVWVYKXRSP-UHFFFAOYSA-N 369.461 4.068 0 40 FIAB in-vitro CC(C)(C)OC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 95931417 ZVAGKGPAVFTCFY-IBGZPJMESA-N 367.445 4.092 0 40 FIAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]c(=S)n1-c1ccccc1 97597491 MPWWENFOHXNERH-RYUDHWBXSA-N 369.412 4.386 0 40 FIAB Cc1ncsc1CCOC(=O)c1ccc(N(C)c2ccccc2)nc1 195608714 YRNRHAITPUTAHN-UHFFFAOYSA-N 353.447 4.014 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223421569 LJHDSBFPOVVXBE-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB S=C(NCc1ccco1)Nc1ccc(N2CCCc3ccccc32)nc1 223902590 OQNASQBCTVWHNI-UHFFFAOYSA-N 364.474 4.246 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCCOc2cccc(C)c2C)ccc1Cl 223963224 JEQAQQMWMNALPE-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)COc2cc(C)ccc2C(C)C)c1 224045073 UPEHLGHCWQEJKW-UHFFFAOYSA-N 355.478 4.309 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164263 DUGZOSVPDHWSGG-IBGZPJMESA-N 361.869 4.309 0 40 FIAB COc1cccc(NC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225183950 PZRNOYUFJYXDDB-UHFFFAOYSA-N 357.435 4.297 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 225312885 LNJREIXBARFKFH-UHFFFAOYSA-N 357.881 4.137 0 40 FIAB COc1ccc(NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1Cl 225366097 WPEPEGCDQJATSH-UHFFFAOYSA-N 359.809 4.152 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1cccc(Br)c1 225622005 LYDMPCWMUMRRRI-GOSISDBHSA-N 374.278 4.194 0 40 FIAB C[C@@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccccc3)CCCC2)s1 225680814 BXXRQWHFCWUZLI-ONOODXEBSA-N 355.503 4.443 0 40 FIAB CCOc1ccc2c(c1)OC1(CCN(Cc3ccccc3F)CC1)CC2=O 225820471 CRPDPDTXXLZTMB-UHFFFAOYSA-N 369.436 4.224 0 40 FIAB c1ccc(COc2cccc(CN3[C@H]4CC[C@H]3c3cccnc3C4)c2)nc1 253588707 PERVUGLBHAGGGN-CVDCTZTESA-N 357.457 4.317 0 40 FIAB O=C(c1ccsc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390830305 KBWJXNJBWICNPV-UHFFFAOYSA-N 357.401 4.048 0 40 FIAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(OC(F)(F)F)cc1 575621024 SZPGZKUHVKWXOW-UHFFFAOYSA-N 362.307 4.170 0 40 FIAB FC(F)(F)c1cc(N2CCC(c3ccc4cccnc4n3)CC2)ccn1 656214481 RYSFKKQEYXFKTH-UHFFFAOYSA-N 358.367 4.428 0 40 FIAB O=C(c1ccc(Cl)cc1)c1cc2c(cc1Br)OCCO2 1041995 CYBXDLDZMRBBBM-UHFFFAOYSA-N 353.599 4.105 0 40 FIAB O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 1365635 DBKJVCFVIBZDFE-UHFFFAOYSA-N 363.889 4.033 0 40 FIAB Cc1cc(C)nc(NC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)c1 1399290 MRFSTRVKICGKHO-GFCCVEGCSA-N 362.355 4.267 0 40 FIAB Cc1cc(C)cc(N2C(=O)C[C@H](Cc3ccc(Br)cc3)C2=O)c1 2295460 AUSXXWMMEQJRIO-HNNXBMFYSA-N 372.262 4.188 0 40 FIAB COc1ccccc1[C@H]1C=C(c2cccnc2)Nc2nc3ccccc3n21 2914813 DPFMZNGDXMQBBT-HXUWFJFHSA-N 354.413 4.496 0 40 FIAB Cc1ccccc1OCC(=O)Nc1cccc(C(=O)Nc2ccccc2)c1 3049833 YHFKZSGAXQTMPU-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1 3469335 KIDKZTWSPKGNKP-UHFFFAOYSA-N 374.466 4.460 0 40 FIAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 3504106 CZVIFFABPFIYID-AWEZNQCLSA-N 366.490 4.323 0 40 FIAB CC(C)c1nccn1-c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 4629578 LXPOOABILRRUAF-UHFFFAOYSA-N 357.417 4.191 0 40 FIAB COc1cccc(CNc2ncc(-c3cccc(Br)c3)n2C)c1 4678339 OMZRLQDVMYWURO-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB O=C(CCC(=O)c1ccc2ccccc2c1)OCC(=O)c1ccc(F)cc1 4680040 FGJLIXCVIIWZOU-UHFFFAOYSA-N 364.372 4.368 0 40 FIAB O=C(CSc1nc2cccnc2n1Cc1ccccc1)c1ccccc1 4852515 WLDOCEKXWMPNNM-UHFFFAOYSA-N 359.454 4.455 0 40 FIAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CNCCc1ccccc1 4894692 PROJJJKVXFPPGE-SFHVURJKSA-N 350.506 4.446 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136355 PROUXMPLGSRAKI-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB COCCn1cc(NC(=O)Nc2cc(C)ccc2OC)c2ccccc21 5266551 ILNCUCVVKVUMND-UHFFFAOYSA-N 353.422 4.249 0 40 FIAB Cc1cccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)c1C 6079540 TZOLQZAODOPOMC-UHFFFAOYSA-N 373.566 4.161 0 40 FIAB Cc1nc(SCC(=O)N(C)c2ccccc2)c2c(C)c(C)sc2n1 6849072 FIJVVQJSDKVANJ-UHFFFAOYSA-N 357.504 4.372 0 40 FIAB CC1CCC(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 7778211 QWEDIMNTUUAVGO-UHFFFAOYSA-N 355.809 4.216 0 40 FIAB CC(=O)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7929100 MIYPRMPXPRJAKY-KRWDZBQOSA-N 373.408 4.001 0 40 FIAB COc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1Cl 7955963 VRUPOBYEPQULPL-UHFFFAOYSA-N 363.826 4.031 0 40 FIAB CCOc1ccc(NC(=O)CNc2ccc(C)cc2Cl)cc1OCC 7972430 SPDSHGYWDPMDEE-UHFFFAOYSA-N 362.857 4.496 0 40 FIAB O=C(CSc1nnnn1C1CCCC1)c1cc(Cl)sc1Cl 8132810 WUVHTMZLKZJEPQ-UHFFFAOYSA-N 363.295 4.132 0 40 FIAB CCOc1ccc(OCC)c(C(=O)Nc2cc(OC)c(OC)cc2C)c1 8719078 VPURXZGPIMMDQJ-UHFFFAOYSA-N 359.422 4.062 0 40 FIAB O=C1c2ccccc2NC2(CCCCC2)N1c1ccc2c(c1)OCCO2 8780357 CHFLZJCJPOPEFJ-UHFFFAOYSA-N 350.418 4.191 0 40 FIAB O=C(Nc1nc(-c2cccs2)cs1)c1cc2ccccc2oc1=O 8856625 XCECJDDRGUOCCS-UHFFFAOYSA-N 354.412 4.230 0 40 FIAB COc1ccc(Cl)cc1CN(C)[C@H](C)C(=O)Nc1c(F)cccc1F 9112924 KHJWKPDCOHCKJI-LLVKDONJSA-N 368.811 4.086 0 40 FIAB COc1ccc(-c2cnc(C(=O)Nc3nc4ccccc4s3)o2)cc1 9321591 HBJWUTQWCSDJBL-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB CC(C)Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 11916430 UPMLEMJWVOJAIW-UHFFFAOYSA-N 362.842 4.297 0 40 FIAB Cc1cc(C)n(C(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)n1 12016313 SVLMUEABWNSKIV-UHFFFAOYSA-N 370.412 4.018 0 40 FIAB Cc1ccc([C@H](C)C(=O)N2CCC(c3onc4c3CCCC4)CC2)cc1 12119804 PCGZGBNMBWIVOU-INIZCTEOSA-N 352.478 4.372 0 40 FIAB O=S(=O)(Nc1ccccc1N1CCc2ccccc21)c1cccs1 12544902 RRXVBTQVEGYCSB-UHFFFAOYSA-N 356.472 4.243 0 40 FIAB O=c1[nH]c(CSc2nccn2-c2ccc(Cl)cc2)nc2ccccc12 12547226 RSTMCQBXZHAVET-UHFFFAOYSA-N 368.849 4.055 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(OC)ccc1OC 12811735 BDFPWGYDLIJRNO-ZGRWHYIRSA-N 357.475 4.315 0 40 FIAB Cc1nc(COc2ccc(/C=C/C(=O)N3CCC[C@H](C)C3)cc2)cs1 12975359 CEDXCJOUAIZCPB-VSGCLNPGSA-N 356.491 4.302 0 40 FIAB COc1cccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCCC2)c1 12977112 RRNLZINKIFXBEO-IBGZPJMESA-N 373.884 4.307 0 40 FIAB O=C(NCCc1ccc(F)cc1)N1CC=C(c2c[nH]c3ccccc23)CC1 12985412 YAZICEAWAZFUME-UHFFFAOYSA-N 363.436 4.348 0 40 FIAB Fc1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 13689579 WSDMTELDWMLUBJ-UHFFFAOYSA-N 365.393 4.052 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccco1 14168776 OVQACWMJDMDTEF-GFCCVEGCSA-N 374.441 4.125 0 40 FIAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 15695063 MAAVWYGPKSQYEQ-WAFBPQNNSA-N 363.335 4.325 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(C)c1 20451275 NOIJRPLNBLKOOC-IBGZPJMESA-N 361.482 4.341 0 40 FIAB CCOc1ccc(CCC(=O)NCc2ccccc2Cl)cc1OCC 20460154 IURDOHHVPNIFSZ-UHFFFAOYSA-N 361.869 4.386 0 40 FIAB COc1ccccc1CNC(=O)c1cccnc1Nc1cccc(Cl)c1 22073057 NQWOZTVRVYRGTC-UHFFFAOYSA-N 367.836 4.417 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1c(C)cccc1CC)cn2C 22237158 RKYYLVVQBUENJF-UHFFFAOYSA-N 364.445 4.060 0 40 FIAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)CCc3ccsc3)n2)C1 22294665 KVFLWCVCDWKDOE-KBPBESRZSA-N 363.552 4.254 0 40 FIAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 23080762 OLSBEAKOESMBJA-UHFFFAOYSA-N 367.430 4.131 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 24757770 JZTHDLIFBQZNPF-CXAGYDPISA-N 358.869 4.261 0 40 FIAB C[C@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)Nc1ccc2ccccc2c1 24832384 RLJDIOWKHCLMPL-HNNXBMFYSA-N 373.456 4.171 0 40 FIAB O=c1cc(CN(Cc2ccc(F)cc2)C2CCCCC2)nc2ccccn12 26867055 ILKAMPFQCBQMAA-UHFFFAOYSA-N 365.452 4.169 0 40 FIAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(C(F)(F)F)cc1 28220500 NIDQJLPEVMYJPN-UHFFFAOYSA-N 363.314 4.342 0 40 FIAB CSc1ccc(NC(=O)c2cnn3c(-c4cccs4)ccnc23)cc1 31782377 IKFAAYRANWXVDO-UHFFFAOYSA-N 366.471 4.432 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)cc1Cl 33416325 LDEUHMASXAFGRF-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB Fc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 40086367 QJDKCNZDYQPFSJ-FQEVSTJZSA-N 353.416 4.377 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](CC(C)C)C(=O)O 40266737 HYFLRHUTTWYBOX-ZDUSSCGKSA-N 366.870 4.001 0 40 FIAB Cc1cnc(NC(=O)CCn2ccc3c(Br)cccc32)s1 40284888 WMVNZFBXVJZNIC-UHFFFAOYSA-N 364.268 4.198 0 40 FIAB Cc1ccccc1C(=O)Oc1cccc(-c2cc(=O)n3c(n2)CCCCC3)c1 41124522 XQOZPZZBPILELH-UHFFFAOYSA-N 374.440 4.164 0 40 FIAB COc1cc([C@H](C)NC(=O)c2ccc(C)nc2)ccc1OC1CCCC1 48341616 QRTWTTCZGGIKCZ-HNNXBMFYSA-N 354.450 4.211 0 40 FIAB COc1cc2c(cc1NC(=O)CCCc1nc(C)no1)oc1ccccc12 56246434 ZMKUGCQEHNHBTR-UHFFFAOYSA-N 365.389 4.247 0 40 FIAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc1O 71285881 GUZYOBPBQAHIOB-INIZCTEOSA-N 359.451 4.304 0 40 FIAB Cc1ccc([C@H](NC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C(C)(C)C)o1 72284978 MMFOVBNEQQBCDG-HNNXBMFYSA-N 363.845 4.249 0 40 FIAB CC[C@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1OC(F)F 72286560 FEIJVBZICMVJEZ-HNNXBMFYSA-N 361.454 4.239 0 40 FIAB FC(F)(F)c1cnc(NCC2CCC3(CC2)OCCO3)c(Cl)c1 72310969 JVCWFAHATQOKOM-UHFFFAOYSA-N 350.768 4.099 0 40 FIAB COc1ccccc1Cc1cccc(C2CCN(Cc3ccccn3)CC2)n1 72348952 ZABGSBJTMCPRRE-UHFFFAOYSA-N 373.500 4.456 0 40 FIAB Fc1cccc(Cl)c1CN1CCC(c2nnc(C(F)(F)F)o2)CC1 75165318 SQCJZNBFLRQDDM-UHFFFAOYSA-N 363.742 4.261 0 40 FIAB CCc1ccc(-c2ccc(C(=O)Nc3cc(C(N)=O)sc3C)o2)cc1 79107364 PXVVCBPCYRPEBO-UHFFFAOYSA-N 354.431 4.230 0 40 FIAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1cccs1 85556478 WIUWNOXIGPAWMZ-UHFFFAOYSA-N 367.478 4.443 0 40 FIAB CC(C)(C)N(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 86137203 GIHNDOYEGWHPMY-UHFFFAOYSA-N 353.418 4.121 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(C)c1 101084925 MPYXNSQNAHIXIM-UTKZUKDTSA-N 352.434 4.472 0 40 FIAB Cc1ccc([C@H]2c3ccc(O)cc3Oc3ncn(CC(C)C)c(=N)c32)cc1 101357476 WARQTZSLFUBWDO-IBGZPJMESA-N 361.445 4.318 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101814046 FQVZGHDMTSBTQA-AJHHTPGJSA-N 374.912 4.040 0 40 FIAB COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 103445337 XDAICZZRUQKXQW-VFNWGFHPSA-N 366.461 4.062 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1C(=O)NCc1ccccc1 104019853 FXVVVKBMTUCCTA-FHWLQOOXSA-N 362.473 4.381 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 195529350 PQEFVWPSUOALNZ-TVTNDZMWSA-N 371.525 4.295 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 219074495 VDHVSOCPZWDYPG-FUHWJXTLSA-N 371.477 4.355 0 40 FIAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1N(C)S(C)(=O)=O 222454935 ZLDFYIIYUOHTNN-UHFFFAOYSA-N 374.506 4.075 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc(C)c1C 222821835 ZEQZZLTVKLAKGO-GOSISDBHSA-N 353.462 4.409 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc(C)c1C 223949836 GOQIVFASHNDONS-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)c(C)c1 224442223 FUHOQDDNLDTZGH-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NCC 224476063 VHPVNHZJPPJUQU-HNNXBMFYSA-N 359.297 4.037 0 40 FIAB c1ncc(-c2nc(-c3ccsc3)no2)c(Nc2ccc3c(c2)CCC3)n1 225579868 VFSUERVONXXJFP-UHFFFAOYSA-N 361.430 4.487 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccccc2C)ccc1Cl 225753832 QCQSFQHTERINOM-GFCCVEGCSA-N 362.882 4.483 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253614061 YVCQLADPAZVQRJ-MIACOZQQSA-N 374.521 4.155 0 40 FIAB CC(C)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1ccccc1)[C@@H](C)c1ccco1 255188524 KJLFDBSOVIPOJE-LPHOPBHVSA-N 370.493 4.422 0 40 FIAB O=C(c1ccncc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257244656 IMGJLAROHWLGGO-LJQANCHMSA-N 365.408 4.167 0 40 FIAB O=C(COC(F)F)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 505917093 MMMJTELFVBZWDZ-UHFFFAOYSA-N 357.303 4.057 0 40 FIAB COc1cc(Cl)cc(C(=O)NCCc2csc(-c3ccccc3)n2)c1 560250507 FWKJKEBRSAAWKF-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)Nc2ccccc2C)c2cccs2)n1 575611816 XQHBAWBCKCSCMN-KRWDZBQOSA-N 354.479 4.281 0 40 FIAB C[C@@H](Cc1csc2ccccc12)NC(=O)Nc1ccc2c(c1)OCO2 575621703 RLNHPRDMKCVYEA-LBPRGKRZSA-N 354.431 4.383 0 40 FIAB C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1COc1ccccc1 579477654 IQWSFKVOELCWRY-SFHVURJKSA-N 366.505 4.068 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)NC[C@@H](c1ccco1)c1cccs1 585146838 YFMOWBPGERKBJS-ISBHARSQSA-N 359.472 4.063 0 40 FIAB CC(C)(C)C[C@@H]1CCN(C(=O)c2ccc(OCC(F)F)nc2)C1(C)C 622709328 DRVPDTXUMHLQMI-AWEZNQCLSA-N 354.441 4.402 0 40 FIAB O=C1CCCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)ccc2N1 672163495 IPSDMIRDIMHPHG-SJBKTWHCSA-N 374.484 4.370 0 40 FIAB CN1Cc2cc(Oc3ccnc(-c4cccc(Cl)c4)n3)ccc2C1=O 1307073914 ZQCUWDBTCGRERR-UHFFFAOYSA-N 351.793 4.175 0 40 FIAB CN(C)C1(CNc2nc(C(F)(F)F)nc3ccc(F)cc23)CCCC1 1615566497 GYOCVUXMOKFKOY-UHFFFAOYSA-N 356.367 4.074 0 40 FIAB CCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(C)cc3)cc2)n(C)n1 633074 YNGNRWRIHNQGCZ-UHFFFAOYSA-N 361.445 4.164 0 40 FIAB COC(=O)c1ccc(Oc2nc(C)nc3sc4c(c23)CCCC4)cc1 707020 QMAGYDTZBLTNCY-UHFFFAOYSA-N 354.431 4.457 0 40 FIAB Cc1cc(OCC(=O)N2CCCc3ccccc32)ccc1Br 724147 MKFORKGLAFHFMW-UHFFFAOYSA-N 360.251 4.116 0 40 FIAB COc1cccc2cc(-c3nnc(Nc4ccccc4F)s3)c(=O)oc12 856283 RMFMJLSKBRODRF-UHFFFAOYSA-N 369.377 4.203 0 40 FIAB COc1ccccc1-c1coc2cc(OC(=O)C(C)(C)C)ccc2c1=O 934290 GLUUGFLYQJANBL-UHFFFAOYSA-N 352.386 4.420 0 40 FIAB biogenic CCOc1ccc(NC(=O)[C@H](CC(=O)O)Cc2ccc(Cl)cc2)cc1 1013735 JKDKRCMGADXLPC-AWEZNQCLSA-N 361.825 4.011 0 40 FIAB CC(=O)Nc1c(Br)cc(C(F)(F)F)cc1Br 2243404 XLGYGENOYAHHIY-UHFFFAOYSA-N 360.955 4.189 0 40 FIAB COc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 2351490 BMPIOZDJTJQYTM-UHFFFAOYSA-N 361.441 4.022 0 40 FIAB Cc1cc(N[C@@H](C)C(=O)N2CCc3ccccc32)ccc1Br 3435668 PKYYHQHGXIDNHK-ZDUSSCGKSA-N 359.267 4.147 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 3503761 OOPRXFRYBONSRI-UHFFFAOYSA-N 365.454 4.281 0 40 FIAB CCOC(=O)c1c(C)oc2ccc(OCC(=O)OCc3ccccc3)cc12 3902775 PQGLWLIDQKTOLC-UHFFFAOYSA-N 368.385 4.040 0 40 FIAB biogenic COc1ccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 4105033 IUGPLYFBMMZMBN-UHFFFAOYSA-N 374.799 4.381 0 40 FIAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O 4477406 CGGIVFHTTOOIGE-SFHVURJKSA-N 362.351 4.063 0 40 FIAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NCc1ccco1 4849477 XNVHTESKUCASQS-UHFFFAOYSA-N 354.475 4.416 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(F)c(F)c1 4852787 SZLUZYGPVUSVCN-DNVCBOLYSA-N 360.360 4.133 0 40 FIAB COc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3F)n2)cc1 4967889 GDXIIQNZZFBNLF-UHFFFAOYSA-N 369.421 4.022 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)c(C)n1CC(C)C 5262896 VNZLTUDOPBSPCB-OAHLLOKOSA-N 361.511 4.284 0 40 FIAB COc1cc(NC(=O)c2cccc3ccccc23)ccc1N1CCCC1=O 5440353 CCPXHHIEPCAIKH-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccccc1Cl)C3 5590728 MKJQTXZCBILAGY-UHFFFAOYSA-N 353.805 4.292 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cc(NC(=O)CCC)ccc1Cl 6263971 NZTXCLBHGGUQMO-UHFFFAOYSA-N 369.918 4.472 0 40 FIAB COC(=O)c1ccc(OC(=O)COc2ccccc2-c2ccccc2)cc1 6372199 BSBSMDRNHWQAPJ-UHFFFAOYSA-N 362.381 4.125 0 40 FIAB Cc1ccc(NC(=O)c2ccc(-n3nncc3-c3ccccc3)cc2)cc1 6550205 IZUCSLKUIHOLRR-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB O=C(NCCCOC1CCCCC1)c1ccc(NC(=O)c2ccco2)cc1 6989252 LIKJBTYBZAXGAO-UHFFFAOYSA-N 370.449 4.001 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc1 7420842 YCYJKQQNPHBGML-UHFFFAOYSA-N 363.438 4.261 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1 7748117 ZTKHYJBGRZRIMP-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB CC1=Nc2c([nH]c(=S)[nH]c2=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C1 8653254 OHILTMDINUGCEO-SNVBAGLBSA-N 355.250 4.389 0 40 FIAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1 9140834 UIBQVCBUJZMTLU-UHFFFAOYSA-N 358.772 4.486 0 40 FIAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1Cl 9307770 ACDBPXVKXSTEGN-UHFFFAOYSA-N 354.837 4.152 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 9712342 MCTDZXJIMLARGP-OAHLLOKOSA-N 366.442 4.392 0 40 FIAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 10302003 PCWCMRQVZJWXMR-UHFFFAOYSA-N 373.405 4.427 0 40 FIAB CC(C)c1ccc(N2C[C@H](c3nc(-c4cccs4)no3)CC2=O)cc1 10336634 GPKYEYFVQOUUFA-CQSZACIVSA-N 353.447 4.442 0 40 FIAB Cc1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)n1C 12116735 APUQQUBUCAQZHX-UHFFFAOYSA-N 372.532 4.179 0 40 FIAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCCCC(=O)O 12409546 XPSJRDXWFLTRTN-UHFFFAOYSA-N 373.261 4.020 0 40 FIAB CCc1cccc(C)c1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 12620070 UBGRQWNSVKDFMU-UHFFFAOYSA-N 361.445 4.181 0 40 FIAB Cc1ccc2nc(S[C@@H](C)C(=O)N3CCCc4ccccc43)[nH]c2c1 12629736 RVULAXCKYSKLDG-AWEZNQCLSA-N 351.475 4.331 0 40 FIAB CCC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 12904395 QQACDGNCXGVLDH-LBPRGKRZSA-N 363.360 4.287 0 40 FIAB C[C@@H](NC(=O)N[C@H](C)c1cccc(F)c1)c1ccc(NC(=O)C2CC2)cc1 12972663 MBDGSDMBWMUZKF-ZIAGYGMSSA-N 369.440 4.296 0 40 FIAB CSc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3C)CC2)c1 13097795 WAVWKRPZLBNWEJ-UHFFFAOYSA-N 360.910 4.333 0 40 FIAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 13796653 CJUUVCGPZHYNSE-UHFFFAOYSA-N 372.446 4.181 0 40 FIAB O[C@@H](COc1ccc2ccccc2c1)CN1CCC[C@@H]1c1cccs1 14238425 RDKZWLSCMXBVOZ-UYAOXDASSA-N 353.487 4.478 0 40 FIAB Nc1c(-c2ccccc2)cnc2c(-c3ccc(Br)cc3)cnn12 15418179 IFBYPUHBNGKICI-UHFFFAOYSA-N 365.234 4.408 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)c1 15536077 VULFPLIYIJMCCO-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccccc3)c2C1 16024197 KXIYNOQCXNLNCT-INIZCTEOSA-N 359.473 4.104 0 40 FIAB COc1cc2ccccc2cc1C(=O)N1CCN(c2cccc(C)c2)CC1 16279252 SIZSDBMYGJDFMY-UHFFFAOYSA-N 360.457 4.119 0 40 FIAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690045 BXKQESUUVXUDLL-RHSMWYFYSA-N 370.522 4.189 0 40 FIAB COC(=O)c1cc(NC(=O)c2cc3cccc(OC)c3o2)ccc1Cl 19887890 NYUTXNBNVJIFLP-UHFFFAOYSA-N 359.765 4.134 0 40 FIAB c1ccc(N2CCN(Cc3cnc(-n4ccc5ccccc54)s3)CC2)cc1 20219023 OUSWEOMFSGLUGW-UHFFFAOYSA-N 374.513 4.409 0 40 FIAB CC1(C)C[C@@](CCN2CCOCC2)(c2cccc(C(F)(F)F)c2)CCO1 20573714 BTEVEUVEOXCPKB-IBGZPJMESA-N 371.443 4.255 0 40 FIAB CCc1cccc(OCC(=O)N(Cc2c(C)noc2C)c2ccccc2)c1 22135148 LGYXDZDBBROJFP-UHFFFAOYSA-N 364.445 4.466 0 40 FIAB Cc1noc(C)c1CN(C(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1 22135177 GCXAIKDNOWIZOP-INIZCTEOSA-N 368.408 4.431 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C[C@H]1CCCCO1)CC2 24787414 IVBSQJXXVFTDNJ-IIBYNOLFSA-N 373.518 4.282 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 26182215 QYVHOVNUPXBBBC-INIZCTEOSA-N 351.922 4.386 0 40 FIAB COC(=O)N[C@@H](Sc1nc2ccccc2s1)C(=O)c1cccs1 27015426 NHZQAAZQTHAFAQ-ZDUSSCGKSA-N 364.473 4.015 0 40 FIAB COc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1 27922579 ASJMBCHTAFAEQI-UHFFFAOYSA-N 369.852 4.463 0 40 FIAB O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc2ccccc2c1 27939121 JJJGQIPMMVJBLD-UHFFFAOYSA-N 358.485 4.277 0 40 FIAB in-vivo Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2C)cc1Cl 28183401 CLMUUSQPSYLXIH-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)n(Cc2ccccc2)n1 28243304 NEQGVIZGUJXRBP-GOSISDBHSA-N 363.461 4.263 0 40 FIAB CCC[C@@H](NC(=O)[C@@H](C)Sc1ncc2ccccn12)c1ccccc1 32575067 UBLZJWGZJCGQNQ-CRAIPNDOSA-N 353.491 4.473 0 40 FIAB CCOC(=O)[C@@](O)(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1 34925436 GIXPAQUXEOBSBN-HSZRJFAPSA-N 362.425 4.472 0 40 FIAB COc1ccc(CN(CCCn2ccnc2)Cc2c[nH]c3ccccc23)cc1 36740171 DWZUESRJXIJTQU-UHFFFAOYSA-N 374.488 4.466 0 40 FIAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCC1CCCC1 40120839 IUAWKZMFXPEZJO-LBPRGKRZSA-N 371.308 4.198 0 40 FIAB Cc1nc(C)c([C@@H](C)NC(=O)CCC(=O)c2ccc(Cl)cc2)s1 40157755 PPCNOEBUPCDYEV-LLVKDONJSA-N 350.871 4.254 0 40 FIAB ClC(Cl)=C1N=C(c2ccccc2)NCCc2nc3ccccc3n21 41097545 OJLRZNBNNKTOGO-UHFFFAOYSA-N 357.244 4.190 0 40 FIAB O=C(COCc1ccccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 44383258 FBUYIZCJKRNMPE-SFHVURJKSA-N 369.852 4.097 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2)c1 44845024 AZHCUOVLDFWPJF-SFHVURJKSA-N 357.519 4.429 0 40 FIAB O=C(Nc1c(F)cccc1F)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 45829468 HNDMPIFVEXHYAJ-CQSZACIVSA-N 366.367 4.110 0 40 FIAB COc1ccc([C@@H](CNCc2c(F)cccc2Cl)N2CCCC2)cc1 57681688 DIRSBWQZOKHBAY-HXUWFJFHSA-N 362.876 4.414 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccco3)c12 57991280 DSNVCRMBRFZDHC-GFCCVEGCSA-N 366.465 4.456 0 40 FIAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3o2)CC1 70040197 BVQKJZCGHDKZEO-LJQANCHMSA-N 367.493 4.225 0 40 FIAB CC(=O)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215357 ATJSFVRKEDWLNC-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB COc1ccc(NC(=O)[C@@H](Oc2ccc(OC)cc2)c2ccccc2)cc1 80344445 HBDLIDZMGLRBNC-NRFANRHFSA-N 363.413 4.463 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccccc1C(F)(F)F 84660511 VDCFPMKPHOECGZ-FZMZJTMJSA-N 369.412 4.008 0 40 FIAB CCOC(=O)[C@]1(C)CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 89978167 PLZLKXUYKADNNW-IBGZPJMESA-N 361.825 4.158 0 40 FIAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccncc1 96305730 YORXJBBETQFSJV-UHFFFAOYSA-N 362.495 4.359 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C)N=O 100362894 YRZPDZKJZDPQIF-VJLJQMCCSA-N 374.525 4.253 0 40 FIAB COCCn1c(-c2ccc(F)cc2)cs/c1=N\c1ccc(OC)cc1 101049704 CECWNRPIDSFLBF-VZCXRCSSSA-N 358.438 4.243 0 40 FIAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 105453805 ZCOPMCZNTLRKNW-UHFFFAOYSA-N 373.456 4.191 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 120395428 OHSKQSFOSGVQGJ-UHFFFAOYSA-N 357.425 4.301 0 40 FIAB CCCS(=O)(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208005884 GSGLMVUORDFUNK-UHFFFAOYSA-N 374.491 4.100 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 219070246 BROARWUKDFRBQM-SFHVURJKSA-N 355.478 4.218 0 40 FIAB COc1cc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)ccc1OC(C)C 219541131 BOJLZAWIMNPGAT-KRWDZBQOSA-N 371.477 4.183 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1F 225389056 FOWCATRYWFPHDM-UHFFFAOYSA-N 370.424 4.149 0 40 FIAB COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(=O)c2ccco2)cc1O 225536831 CZLHHUCOFUCRQF-HNNXBMFYSA-N 368.414 4.047 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1C(C)C 225743329 VDHMHTUEXSZAMQ-IBGZPJMESA-N 373.518 4.483 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1Cl 225828601 AVYJNQOCGCJPOZ-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cc1ccc(C)c(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225832442 YNLGJIVHQDAONN-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB COC1CN(c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)C1 253473281 TZMPWGQKNVBENW-UHFFFAOYSA-N 353.466 4.463 0 40 FIAB O=C(c1cscn1)N1CCC[C@H](Cc2cccc3ncccc23)CC1 257300807 RVTJQSNYZRZIPI-HNNXBMFYSA-N 351.475 4.176 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC(=O)c1ccccc1 408601453 AZENJPKNZZHKPG-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1 409005141 DMYJFDVTQBESSU-WJDWOHSUSA-N 359.834 4.325 0 40 FIAB c1cc(COCC[C@H]2CCOC23CCN(Cc2ccsc2)CC3)ccn1 585105457 WYSDXJUCKKAAFY-FQEVSTJZSA-N 372.534 4.121 0 40 FIAB Cc1cccc(/N=c2\oc3c(O)cc(C(C)(C)C)cc3cc2C(N)=O)c1 2087178719 LFWONFOQUDVDNJ-ATJXCDBQSA-N 350.418 4.076 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)COc2ccc(F)cc2Cl)c1 11231886 QQBTXPIUYCSOIE-UHFFFAOYSA-N 367.804 4.294 0 40 FIAB Cc1ccc(-c2noc(CSCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 28908034 URLLWXYLXUVAHD-HNNXBMFYSA-N 367.474 4.156 0 40 FIAB Cc1sc2ncnc(SCc3cc(=O)[nH]c4ccccc34)c2c1C 929246 QPHHMDQPWMTUCJ-UHFFFAOYSA-N 353.472 4.442 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364479 OBSJRZQOMPJBNZ-LJQANCHMSA-N 372.424 4.048 0 40 FIAB CCN(CC)CCCN[C@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl 1708586 OFRXUNGYDUXSGN-OAHLLOKOSA-N 367.748 4.428 0 40 FIAB O=C(Nc1ccc(O)cc1)C1CN(C(c2ccccc2)c2ccccc2)C1 20716786 OTAQEGDRFDUSRT-UHFFFAOYSA-N 358.441 4.052 0 40 FIAB CCC[C@@H](CN1CCCCC1)[C@H](OC(=O)c1ccc(N)cc1)C(F)(F)F 4707337 RURYPWLSKRBBFD-RDJZCZTQSA-N 372.431 4.259 0 40 FIAB COCCN(C(=O)C1CCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880765 OQXPPHHAPLCGJH-UHFFFAOYSA-N 373.522 4.282 0 40 FIAB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 2649419 GENMMVHVAMTRQM-UHFFFAOYSA-N 355.434 4.393 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 6966368 BOYHGJFNBPUVTE-INIZCTEOSA-N 374.937 4.478 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2c(C)cccc2C)CC1=O 7929351 DNLHIDVAXJQLRZ-LJQANCHMSA-N 365.473 4.387 0 40 FIAB COC(=O)c1ccc(C(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(C)cc2)C3)s1 100172315 CFQOQRHRNXQVGC-IAGOWNOFSA-N 369.486 4.394 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc2c(c1)OCCO2 9141800 PHXSIIZOCRJEGR-UHFFFAOYSA-N 357.715 4.382 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)cn1 33227843 GYGWKRLAZLOLPW-UHFFFAOYSA-N 357.410 4.384 0 40 FIAB CCCCSC1=Nc2c(cnn2-c2cccc(C)c2)C2=NCCCN12 12389474 BBUKWYPCCQEWMI-UHFFFAOYSA-N 353.495 4.167 0 40 FIAB Cc1noc(C)c1COc1ccc(CN[C@@H]2CCOc3ccccc32)cc1 25357572 VGPXCCOLDVANFB-OAQYLSRUSA-N 364.445 4.484 0 40 FIAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)cc1 100265387 PIEZPTYAEXKRLG-JLTOFOAXSA-N 369.490 4.030 0 40 FIAB O=C(Nc1ccc(F)cc1)c1cccc(OCc2cn3ccccc3n2)c1 12506872 MQDFTUCQZIOEJJ-UHFFFAOYSA-N 361.376 4.305 0 40 FIAB CCc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)sc1C 27032925 YZDSKXIORDFWLZ-MRXNPFEDSA-N 356.491 4.110 0 40 FIAB CC(C)N(C)c1ccc(NC(=O)[C@H](C)n2cnc3ccccc32)cc1F 58405751 DRAFNHVWAZQQDK-AWEZNQCLSA-N 354.429 4.220 0 40 FIAB C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1Cl 12734425 OVMBYUBQAOTMLE-LLVKDONJSA-N 357.759 4.443 0 40 FIAB Cc1ccc(SCCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1C 12753100 LVUWCBQMLVSYJA-UHFFFAOYSA-N 368.502 4.317 0 40 FIAB Cc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12872689 KKDKDFFPZNEQJZ-JNCPLXCYSA-N 366.505 4.141 0 40 FIAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1Br 26359707 VHHYUGQVXGCJJY-UHFFFAOYSA-N 372.222 4.070 0 40 FIAB CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 8130960 RWWSJNQXLHLNQT-ZDUSSCGKSA-N 364.848 4.337 0 40 FIAB Cc1ccc(C(=O)[C@@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2C)cc1 3526053 CWXHOGMLTJYTBJ-CYBMUJFWSA-N 372.515 4.284 0 40 FIAB O=c1c2sccc2ncn1Cc1ccc(OCc2ccc(F)cc2)cc1 63535434 GZWNGBOLKKAKBO-UHFFFAOYSA-N 366.417 4.224 0 40 FIAB COc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1F 16967854 FAZZWUQHOMCSGL-KRWDZBQOSA-N 355.413 4.228 0 40 FIAB COc1cccc(-n2cnnc2SCCCC(=O)c2ccc(F)cc2)c1 6039857 KHEWHVLIRKAIDH-UHFFFAOYSA-N 371.437 4.170 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(CC(=O)NC(C)(C)C)cc1 13717323 GGMWAWSUTYHXOX-UHFFFAOYSA-N 374.868 4.058 0 40 FIAB Cc1sc2ncnc(OCC(=O)Nc3cc(Cl)ccc3F)c2c1C 39562115 BVKSNNZYTODHOG-UHFFFAOYSA-N 365.817 4.118 0 40 FIAB CCCCCCC1=NN(C(=O)c2cccc(C)c2O)[C@@](O)(C(F)(F)F)C1 4676384 XKFXSBFKIOBHGX-KRWDZBQOSA-N 372.387 4.124 0 40 FIAB NC(=O)c1ccccc1OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5798299 DKORIUFFYUFCIY-UHFFFAOYSA-N 370.408 4.196 0 40 FIAB Cc1ccc(O)c(-c2n[nH]cc2C(=O)c2cccc(Br)c2)c1 4813410 PLGRMVNJQWWPNF-UHFFFAOYSA-N 357.207 4.084 0 40 FIAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(OC[C@@H]2CCCO2)cc1 6852739 UUZOZQAYZVYOCK-PKOBYXMFSA-N 369.486 4.211 0 40 FIAB CCN1C(=O)[C@H](Cc2ccc(N(C)C)cc2)c2cc(Br)ccc21 15018116 ZZWSCRXFIZACBO-QGZVFWFLSA-N 373.294 4.208 0 40 FIAB C[C@@]12C[C@@H](NC(=O)N1C1CCCCC1)c1cc(Br)ccc1O2 67225402 ANPYNHQRIMGHIG-RHSMWYFYSA-N 365.271 4.347 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N(C)C)o1 15860360 ONNUATXKSSOXNI-OAHLLOKOSA-N 360.841 4.329 0 40 FIAB CCCOc1ccc(NC(=O)COc2ccc(OC)cc2)c2cccnc12 15840935 YYVIIDCPBZCFRL-UHFFFAOYSA-N 366.417 4.050 0 40 FIAB C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(N2CCCC2=O)ccc1F 89930139 UHMWVBXUALNNJU-QKKBWIMNSA-N 366.436 4.006 0 40 FIAB O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1cccc(F)c1 19816269 HFZAHHLXWPJOSO-UHFFFAOYSA-N 359.788 4.491 0 40 FIAB Cc1nc(C(=O)N[C@H](C)c2ccc3ccccc3c2)nn1-c1ccc(F)cc1 71924294 XMDMQITUDSNNAT-CQSZACIVSA-N 374.419 4.359 0 40 FIAB COc1cc(C(=O)N[C@@H]2CCc3ccccc32)nc2c(C)cc(F)cc12 72329543 DKRGSTXBQNUILN-QGZVFWFLSA-N 350.393 4.108 0 40 FIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc4c3ccn4C)c12 72401110 IBFHFBJNROOHFK-UHFFFAOYSA-N 361.449 4.144 0 40 FIAB c1coc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4o3)o2)c1 84600293 BVXNYVHZSHRYIF-CQSZACIVSA-N 350.378 4.198 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(Br)cc1Cl)c1ccccn1 20538795 GJJADCPWTNPZQR-SECBINFHSA-N 354.635 4.380 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20143875 ZARMSIUGVATSBN-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB CN(CC(=O)Nc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccccc1 408998230 KVESWYDVAJBJBH-UHFFFAOYSA-N 360.413 4.423 0 40 FIAB CCCCC[C@H](O)/C=C\[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 31308940 XZFRIPGNUQRGPI-FFXUURBPSA-N 350.499 4.072 0 40 FIAB CC(C)c1nnc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)s1 31808752 VFQDFKIBECYVOI-UHFFFAOYSA-N 369.475 4.314 0 40 FIAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 217721739 QNBSXFKEOPMFRD-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 219551608 NMOUCBQMDFJFGK-LPHOPBHVSA-N 371.477 4.355 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1F 219589236 CZMMMWFWBQPMCR-LJQANCHMSA-N 361.482 4.341 0 40 FIAB CC[C@@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2-c1ccccc1F 36616680 OIKPUASWOHHELT-OAHLLOKOSA-N 366.440 4.273 0 40 FIAB Cc1ccccc1CN(CCCn1ccnc1)Cc1c[nH]nc1C(C)(C)C 36740170 WCZNNMOFSHZJHM-UHFFFAOYSA-N 365.525 4.305 0 40 FIAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078631 AULVZFYEOHXMGZ-INIZCTEOSA-N 350.462 4.116 0 40 FIAB C[C@H](NC(=O)N(C)Cc1ccsc1)c1cccc(Br)c1 40071310 DNYNFIYCLITFRU-NSHDSACASA-N 353.285 4.413 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 223049434 QINZPLAMOHPUOY-NRFANRHFSA-N 373.518 4.394 0 40 FIAB O=C(COc1ccc(F)cc1)NCCSCc1c(F)cccc1Cl 222780920 UMOMVGHCIWWDRP-UHFFFAOYSA-N 371.836 4.047 0 40 FIAB CCCOCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OCC 224707433 TZOYALRDQMODIS-UHFFFAOYSA-N 373.449 4.281 0 40 FIAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(Br)cc1 225781688 MLVMXCNKFYYOPO-GFCCVEGCSA-N 365.296 4.203 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCOc2cccc(C)c2C)ccc1Cl 223963272 JEQAQQMWMNALPE-INIZCTEOSA-N 361.869 4.228 0 40 FIAB COc1ccccc1NC(=O)Nc1ccccc1C(=O)NC1CCCCC1 225766387 ZERWUWDNPFCGPO-UHFFFAOYSA-N 367.449 4.402 0 40 FIAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(C)=O 223336752 VBMSPIVUPHYXJM-OAQYLSRUSA-N 352.478 4.083 0 40 FIAB Cc1nc(Nc2cccc(C(F)(F)F)c2)sc1-c1ccnc(N)n1 43783169 OROOZSNXFHVFMF-UHFFFAOYSA-N 351.357 4.253 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CSc3ccc(C)cc3)ccc21 225075538 CZWUGDKPCGTXTR-UHFFFAOYSA-N 358.488 4.122 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)cc1C 224623294 ZERLEPIKRQCUNL-GOSISDBHSA-N 361.869 4.309 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCOC1CCCCC1 225875799 MKSIQSPHULWFPA-KRWDZBQOSA-N 359.510 4.188 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 21991644 IIVBFTNIGYRNQY-DQEDLLLISA-N 370.489 4.185 0 40 FIAB biogenic Cc1ccccc1C1(C(=O)N[C@@H](CO)c2ccc(F)cc2)CCCCC1 622480554 RBTYTOWVXRLGPY-FQEVSTJZSA-N 355.453 4.186 0 40 FIAB O=C(C1CCCC1)N1CC(Oc2nc3c(C(F)(F)F)cccc3s2)C1 90594084 VPTXPYAKHOTDFA-UHFFFAOYSA-N 370.396 4.095 0 40 FIAB COc1cccc([C@H](CNC(=O)c2sccc2C2CC2)N2CCCC2)c1 67131058 MCLKUEPBPCYOPR-IBGZPJMESA-N 370.518 4.201 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1OC 1180021 LAPIDATYUYOQMG-LDADJPATSA-N 369.442 4.330 0 40 FIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cc(F)c(F)c(F)c1 1565524449 NEWFWKXZJWOJIR-UHFFFAOYSA-N 351.353 4.166 0 40 FIAB O=C(Oc1ccc(Br)cc1)c1cc(Br)ccc1O 11804320 KJVUMIZVTGFBAR-UHFFFAOYSA-N 372.012 4.136 0 40 FIAB CC(C)C(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 13548439 FULSZTALZCDBGH-UHFFFAOYSA-N 361.448 4.311 0 40 FIAB CCCC(=O)N1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 19501276 MGVQXWXWCADOGK-LLVKDONJSA-N 355.360 4.056 0 40 FIAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 19692016 KQVVQMUBCOIRKI-JOCHJYFZSA-N 364.468 4.191 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc(OC)c1 19931508 GAMLRDYVCDHMQN-HXUWFJFHSA-N 371.477 4.000 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2C)C1=O 5337890 JRXNEVDJDPTEHL-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB COc1ccc(CN2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1F 1889049278 SSLUIPJMJQZKDB-AWEZNQCLSA-N 373.453 4.325 0 40 FIAB COc1cc2c(cc1NC(=O)C[C@](C)(O)C(F)(F)F)oc1ccccc12 14113890 HVLAJXBRPNUCMI-KRWDZBQOSA-N 367.323 4.237 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)c2cncc(F)c2)CN1c1ccc(F)cc1 2037988635 BPSBVHPIHOANIJ-OAQYLSRUSA-N 371.431 4.024 0 40 FIAB CCC(=O)Nc1ccc(-c2ccc(NC(=O)CC)c(OC)c2)cc1OC 3898510 YQWUYVIHVJBBFA-UHFFFAOYSA-N 356.422 4.068 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc4ncsc4c3)nc2C1 4088349 AGROGGSWGHUPMQ-UHFFFAOYSA-N 357.460 4.160 0 40 FIAB O=C(Nc1ccc(F)cc1)c1oc2cccnc2c1NC(=O)C1CCCC1 9108371 KMEZKMQOTQWHPC-UHFFFAOYSA-N 367.380 4.348 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)N1CCO[C@H](c2ccccc2)C1 38570015 VRJNCWZPQBXFPX-INIZCTEOSA-N 350.340 4.311 0 40 FIAB Cc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cc1C 1450993 JIDZIOXSFIMJAG-QFIPXVFZSA-N 358.441 4.354 0 40 FIAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)cc1Cl 40161183 DFNUBWBUUMMGFE-LLVKDONJSA-N 364.804 4.080 0 40 FIAB COc1ccc(F)cc1-c1csc(NC(=O)c2cc(F)cc(F)c2)n1 40111315 XNJUTTNHAITWJE-UHFFFAOYSA-N 364.348 4.488 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccs2)c(OC)c1 40284174 ALAFVTFYADDXRE-GFCCVEGCSA-N 355.419 4.075 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1csc(-c2ccco2)n1 31420613 QCGLDCZQGRJDIG-OCCSQVGLSA-N 350.509 4.331 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1C 877844 VBXLNDZLEYDMMS-OAHLLOKOSA-N 366.490 4.218 0 40 FIAB COc1cccc(-c2csc(NC(=O)COc3ccc(C)cc3)n2)c1 937586 DXTVOLAULIDKPZ-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB O=C(O)N[C@H](c1ccccc1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 1615966 JGBLEKJGTAQZHB-VQTJNVASSA-N 360.413 4.167 0 40 FIAB CNc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 2454971 KPNRBTSRBHAXHE-UHFFFAOYSA-N 362.838 4.178 0 40 FIAB Cc1ccc(C(=O)Cn2c3ccccc3n3nc(-c4ccco4)nc23)cc1 4116296 KHDPPJZFUNOOSR-UHFFFAOYSA-N 356.385 4.135 0 40 FIAB COc1ccc2oc(C(=O)OCC(=O)c3ccccc3Cl)c(C)c2c1 4319084 TXFYWIVHCQCDDI-UHFFFAOYSA-N 358.777 4.443 0 40 FIAB O=C(CNc1ccc(Br)cc1)N[C@@H]1CCCc2ccccc21 5090232 ANHGDMFQYGNNAU-QGZVFWFLSA-N 359.267 4.055 0 40 FIAB CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CCC 6648559 ZIWSDWFKUANNRE-UHFFFAOYSA-N 366.918 4.017 0 40 FIAB COc1ccc(Cn2nc(-c3cccs3)c3ccccc3c2=O)cc1F 7024045 GPHKAXRWDOAOCK-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)cc2s1 7778397 ADOSEMIIXDMFRW-SECBINFHSA-N 369.471 4.290 0 40 FIAB O=C(OCc1cc(F)cc2c1OCOC2)c1cccc(C(F)(F)F)c1 8536905 UTONRKULFCJUHM-UHFFFAOYSA-N 356.271 4.068 0 40 FIAB CNC(=O)CSc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1 9249454 JWHZRJPFNGFSHL-UHFFFAOYSA-N 351.475 4.199 0 40 FIAB O=c1[nH]c(SCc2cccc(Cl)c2)nc2c1cnn2-c1ccccc1 9621889 UNXDDLVLZQJMLE-UHFFFAOYSA-N 368.849 4.055 0 40 FIAB COc1ccc2cc(C(=O)NCCCOC3CCCCC3)c(C)nc2c1 11356317 WPXKNPAQCFFLIJ-UHFFFAOYSA-N 356.466 4.021 0 40 FIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccccc2O)cc1)c1ccccc1 12401936 VZYBDFXCRNASIG-HNNXBMFYSA-N 360.413 4.136 0 40 FIAB C[C@@H](CC(=O)Nc1nc2ccccc2nc1N1CCCC1)c1ccccc1 12879821 KXUUEKSCFZWEMP-INIZCTEOSA-N 360.461 4.362 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc(SC)cc1OC)O[C@H](C)C2 12978462 DJQJPHRJBKITBU-GFCCVEGCSA-N 373.474 4.392 0 40 FIAB C[C@@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 13986075 LCDDECKIFDCDFI-KRWDZBQOSA-N 350.462 4.058 0 40 FIAB COc1ccc(NC(=O)/C=C/c2cc3cccc(OC)c3o2)c(OC)c1 14084819 VRKUVQAYDGKXTI-CSKARUKUSA-N 353.374 4.111 0 40 FIAB Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(O)c1 14094442 WSWAEFPMCWMNKP-UHFFFAOYSA-N 354.431 4.297 0 40 FIAB COc1ccc(CNc2nc(C(F)(F)F)nc3ccccc23)cc1OC 14138483 YSIFXGCQFIYELQ-UHFFFAOYSA-N 363.339 4.278 0 40 FIAB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1cccnc1 14180569 FVSAQJMKOMTFPZ-UHFFFAOYSA-N 374.263 4.144 0 40 FIAB COc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1OC 14250898 VITWNTINOBQTOD-UHFFFAOYSA-N 361.488 4.435 0 40 FIAB COc1ccc([C@@H]2CCCN2CCOc2ccccc2C(C)=O)c(OC)c1 15366983 FYXZWYWDGSXVLA-FQEVSTJZSA-N 369.461 4.122 0 40 FIAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1Br 17074065 XUSCHTWFFOTJMY-UHFFFAOYSA-N 359.267 4.297 0 40 FIAB COCc1c(C(=O)Nc2ccccc2-c2ccc(OC)cc2)noc1C 19666795 RVUJJLSECCNSSC-UHFFFAOYSA-N 352.390 4.057 0 40 FIAB Cc1ccccc1[C@H]1CC(=O)c2cnc(NCCc3ccccc3)nc2C1 20102263 HTNCNUJJHZVRHS-GOSISDBHSA-N 357.457 4.352 0 40 FIAB COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 22502710 PWHMBKLIVZTZGR-UHFFFAOYSA-N 367.449 4.274 0 40 FIAB CN1C(=O)Cc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc21 22506648 SRBNJILNWXEDEA-UHFFFAOYSA-N 371.440 4.117 0 40 FIAB CCCCCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1Cl 27824362 LKWOBJYLDXUONY-UHFFFAOYSA-N 354.859 4.105 0 40 FIAB CN(Cc1ccnn1C)C(=O)c1sc2cc(Cl)ccc2c1Cl 28233899 ZKLQICQVAHMJIN-UHFFFAOYSA-N 354.262 4.214 0 40 FIAB O=C(Cc1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 36774057 UFGGVYMCORAHAX-UHFFFAOYSA-N 355.409 4.068 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 40009907 WNAVQHDAAFRIKM-SFHVURJKSA-N 354.450 4.210 0 40 FIAB CCCOc1ccc(S(=O)(=O)n2ccnc2C(C)C)c2ccccc12 41095462 UIZRZKJMXRDNPL-UHFFFAOYSA-N 358.463 4.186 0 40 FIAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1Br 41096768 ZNVDRUSVANXLOX-CYBMUJFWSA-N 360.317 4.019 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1F)SCC(O)=N2 44900486 KZXDNLJHHXMKHS-KRWDZBQOSA-N 354.410 4.139 0 40 FIAB Cc1cc(NC(=O)c2cc3sccc3n2Cc2ccccc2F)no1 44917264 UWCSUHWVUBTBET-UHFFFAOYSA-N 355.394 4.439 0 40 FIAB CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1 48280102 NOAVQULJLIGBIH-LJQANCHMSA-N 372.900 4.253 0 40 FIAB c1ccc(Cc2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)cc1 49169834 LWGVCUPLEMQKAE-KRWDZBQOSA-N 358.445 4.131 0 40 FIAB biogenic,in-vitro COc1ccccc1-c1nnc([C@H]2CCN(CCCc3ccccc3)C2)o1 49170016 IQFGVBKLPVBIAH-SFHVURJKSA-N 363.461 4.167 0 40 FIAB biogenic,in-vitro CC(C)(C)c1nnc(CN2CCC[C@@H]2c2ccc(Br)cc2)o1 52453097 OLGZNYJOHHXWOP-CQSZACIVSA-N 364.287 4.467 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(c2ccccc2Cl)CC1 57380551 PLQDFCVUXMLGAA-QGZVFWFLSA-N 371.912 4.106 0 40 FIAB CC(=O)N[C@H](CC(=O)N1CCCc2cc(C)ccc21)c1ccc(Cl)cc1 58171672 KSXLGVRAQVVZEO-LJQANCHMSA-N 370.880 4.195 0 40 FIAB CC(C)(C)OC(=O)Nc1cc(NC(=O)CC[C@@H]2CCCO2)ccc1F 58264913 IACPULDQWALGNJ-ZDUSSCGKSA-N 352.406 4.070 0 40 FIAB Cc1nc2ccccc2n1CC(=O)Nc1nc2ccc(Cl)cc2s1 65488014 XWSRLIGNNPJSJJ-UHFFFAOYSA-N 356.838 4.247 0 40 FIAB Cc1nccn1-c1cccc(C2CCN(Cc3ccc(F)cc3)CC2)n1 72379082 ZIYNJFHTTYTEPF-UHFFFAOYSA-N 350.441 4.094 0 40 FIAB Cc1cc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)on1 95480526 GIQZRXUDQOHWQP-UHFFFAOYSA-N 352.206 4.123 0 40 FIAB Cn1cnc(-c2ccc(NC(=O)N[C@@H](c3cccs3)C(C)(C)C)cc2)n1 96013027 TWSKVLJNXOQWBP-INIZCTEOSA-N 369.494 4.453 0 40 FIAB CCCC(=O)N[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96242828 JHRUVSXLCGSVSI-IBGZPJMESA-N 368.477 4.054 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(/C=C2/SC(=S)N=C2O)cs1 96662802 RDHIWMJTSONFQG-KPKJPENVSA-N 361.473 4.157 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(C)=O)[C@H](C(C)=C[C@H]1C)[C@@H]2C 100561583 ZWLSDBYOOPGGSP-BKGPBQDESA-N 372.461 4.081 0 40 FIAB CC(C)CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 100732849 RCDUPJZGUYSYMA-UHFFFAOYSA-N 368.408 4.145 0 40 FIAB CCOP(=O)(OCC)c1cc2c(nc1S)[C@H]1C[C@H]2[C@H]2CCC[C@H]12 103902252 YVYSETWCPIFJKA-CYDGBPFRSA-N 353.424 4.263 0 40 FIAB O=C1c2ccccc2C(=O)C1NNc1c(Cl)cc(Cl)cc1Cl 107531161 WDRBOEWWPTXHOL-UHFFFAOYSA-N 355.608 4.011 0 40 FIAB COC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)nc1C 107608339 YKIZNAHUOZKWBZ-UHFFFAOYSA-N 370.430 4.367 0 40 FIAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 192830625 HIERZBTYAZIUAU-UHFFFAOYSA-N 356.853 4.147 0 40 FIAB O=C(C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1)c1c[nH]c2ccccc12 206670727 FLHBUGPFSXIDDX-MRXNPFEDSA-N 364.420 4.286 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 219028867 JRDAZUAYPHFLFF-ZWKOTPCHSA-N 363.457 4.499 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(OC)c(OC)c1 219290101 VJWIKJHVAHGGBC-WBVHZDCISA-N 357.450 4.047 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219306431 VKDTWKZDSIVVEH-KXBFYZLASA-N 369.461 4.190 0 40 FIAB Cn1nc(-c2cccs2)cc1C(=O)N1CCS[C@H](c2ccco2)CC1 219406943 STHVNDRXFRRDRW-KRWDZBQOSA-N 373.503 4.062 0 40 FIAB O=C(c1cc(=O)c2ccccc2o1)N1CCS[C@@H](c2cccs2)CC1 219495296 LRPKTBHMQDTXSS-GOSISDBHSA-N 371.483 4.175 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 222867118 VXXRNNSYSQRGBI-RBUKOAKNSA-N 369.461 4.271 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(OC)c(C)c1 222940992 JTRSTXXUQIWJKR-QGZVFWFLSA-N 367.898 4.228 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cc(C)cc(C)c1 224107989 TVRLPUDIKYLOHL-OAQYLSRUSA-N 355.478 4.273 0 40 FIAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 224233723 MTRBJYBLZISBPL-KRWDZBQOSA-N 363.454 4.187 0 40 FIAB CC[C@H](NC(=S)Nc1cccc(OC)c1)c1ccc(OC)c(OC)c1 225718161 ASAXGULDAJGFJW-INIZCTEOSA-N 360.479 4.150 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1O[C@H](C)CC 225816923 KJEHDWTXFPGDEI-VLIAUNLRSA-N 365.470 4.184 0 40 FIAB Cc1cccc(Cl)c1CNC(=O)c1cccc(-c2c(C)noc2C)n1 257296765 REHSNPVYSAGBGT-UHFFFAOYSA-N 355.825 4.245 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)cn1 390830573 LXPQREBQWZUJNN-INIZCTEOSA-N 350.528 4.395 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)NC(C)C 408596884 TWZSHXKOYXGGLU-UHFFFAOYSA-N 374.506 4.057 0 40 FIAB CC(C)C1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@](O)(C(F)(F)F)C1 409058915 ZNXKOEILJGTILP-KRWDZBQOSA-N 356.388 4.093 0 40 FIAB O=C(N[C@H]1C[C@H](c2ccccc2)C1)N1CCC(c2c[nH]c3ncccc23)CC1 574142562 QSJDXTDLPBEYEP-WGSAOQKQSA-N 374.488 4.398 0 40 FIAB CCC[C@]1(CO)CCN(Cc2csc(Cc3ccc(Cl)cc3)n2)C1 585083911 BQXPAQZZSGRCEQ-IBGZPJMESA-N 364.942 4.372 0 40 FIAB CCc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc3nnc(C4CC4)n3n2)o1 669823522 JPLUTKQSHCPVQC-BBRMVZONSA-N 351.454 4.135 0 40 FIAB COc1ccc2cc(C(=O)NC[C@H](c3ccsc3)c3ccco3)[nH]c2c1 670382981 TXWGNTYMUNMADV-MRXNPFEDSA-N 366.442 4.393 0 40 FIAB Cc1ncccc1CNC(=O)Nc1cc(C(F)(F)F)cc(C2CC2)n1 685939105 QKIMSTDPNBTHQI-UHFFFAOYSA-N 350.344 4.003 0 40 FIAB COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccc(C)cc1 705986 NTUZCAZHIIOVTA-UHFFFAOYSA-N 369.486 4.384 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CCCO1 780393 PPEKCARAZAKBEP-INIZCTEOSA-N 373.474 4.326 0 40 FIAB Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)c1 945235 FECYDXJCAGQZQO-UHFFFAOYSA-N 354.837 4.356 0 40 FIAB Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 1377740 ZNIGMOYLOKPQJM-QZTJIDSGSA-N 373.497 4.291 0 40 FIAB CC1(C)Cc2nc3oc4c(NC5CCCCC5)ncnc4c3cc2CO1 2432146 FWOZTYKIARVLBP-UHFFFAOYSA-N 352.438 4.367 0 40 FIAB CCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1 2723006 CXQUZZKPYSHPMV-UHFFFAOYSA-N 353.447 4.002 0 40 FIAB aggregator CSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)Nc1ccccc1-2 3044845 SINVOQHQQATQAH-HNNXBMFYSA-N 356.838 4.417 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c1 3235473 DOCYWZKDYZJKLV-UHFFFAOYSA-N 353.752 4.031 0 40 FIAB CCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O 3348132 XPCNXXFUNCOUGZ-UHFFFAOYSA-N 352.459 4.172 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCC1 3441203 JAPJTIUFIUUCKE-UHFFFAOYSA-N 370.880 4.237 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc2sc3ccccc3n12 3444451 SDFKKYBQEZLQNF-LBPRGKRZSA-N 368.487 4.372 0 40 FIAB O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1 3452752 ORGNRSIXAIRUBX-UHFFFAOYSA-N 356.900 4.193 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(N)c1 3886654 WJQTYYMUKRRTPL-UHFFFAOYSA-N 370.927 4.104 0 40 FIAB O=C(CCc1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4088795 YEILVXURYXOOEX-UHFFFAOYSA-N 367.449 4.330 0 40 FIAB COc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 4375298 XOFYUFGNERPKOL-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2oc3ccccc3c2C)c1 4581800 PEIMZCVGLHAUSS-AWEZNQCLSA-N 365.385 4.128 0 40 FIAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 4849218 ZTSLTYUGBSPXOO-UHFFFAOYSA-N 366.442 4.257 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(C(F)(F)F)cc1 4969553 LSQRMUREWFAEEY-UHFFFAOYSA-N 367.352 4.388 0 40 FIAB COc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1 5532679 JHRVXJDRPJXHDW-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB Cc1ccc2nc(SCC(=O)Nc3ccc(F)c(F)c3F)[nH]c2c1 5988464 SFXWQAGVEQIXFQ-UHFFFAOYSA-N 351.353 4.019 0 40 FIAB COc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 6249388 XLZQTSFPWKMBOV-UHFFFAOYSA-N 374.868 4.356 0 40 FIAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)cc2C)c1 6592944 OEQKYNNCSXGJBM-UHFFFAOYSA-N 369.490 4.169 0 40 FIAB COc1cc(S(=O)(=O)Nc2ccccc2-c2ccccc2)ccc1F 7360596 XTZAALKKGQIVCX-UHFFFAOYSA-N 357.406 4.302 0 40 FIAB O=c1c2c3c(sc2ncn1Cc1ncc(-c2ccccc2)o1)CCCC3 7375970 FDISCHBCZVCSGZ-UHFFFAOYSA-N 363.442 4.040 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](Oc2ccc(C(N)=O)cc2)c2ccccc2)c1 7509791 XIBUTLMRYPQNQL-OAQYLSRUSA-N 374.440 4.161 0 40 FIAB O=C(COc1ccccc1)Oc1ccc2nc(N3CCCCC3)sc2c1 7513005 RYJOAQDVJYRVMJ-UHFFFAOYSA-N 368.458 4.271 0 40 FIAB Cc1cc(-c2csc(N(C)C)n2)c(C)n1Cc1ccc2c(c1)OCO2 7845031 HGZXWWLWJWKGKI-UHFFFAOYSA-N 355.463 4.071 0 40 FIAB CC(=O)N1CCC(C(=O)Nc2c(C)cc(C)cc2C)(c2ccccc2)CC1 8746145 IMXDOIKQHDFAOT-UHFFFAOYSA-N 364.489 4.131 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1OC 9114163 VEOJJSKDPIYBJL-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB Cc1ccc(-c2noc(CSc3nncn3-c3ccccc3C)n2)cc1 10243572 RMIRCNMUBULDMT-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1cc(-c2ccc(F)cc2)on1 11613452 BZKQEUWMOMLWFV-UHFFFAOYSA-N 360.772 4.073 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1 11914499 CHEFKUMCMFMIKB-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB Cc1nn(CCC(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 12162178 USNVHTQNRMTAQB-SCPDWHHUSA-N 365.521 4.287 0 40 FIAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1N1CCCC1=O 12375375 LEWSEGDITRWMCO-UHFFFAOYSA-N 371.440 4.052 0 40 FIAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442048 WMNKKEGSLUOIGH-UHFFFAOYSA-N 368.393 4.289 0 40 FIAB COc1ccc(CC(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1C 13971780 MGVFMNGYPUIGFB-UHFFFAOYSA-N 350.443 4.213 0 40 FIAB Cc1cnc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)s1 14114005 AFTAUMLVSUSUSA-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n1 14201960 GONSIKIZOLLEDN-VIFPVBQESA-N 372.466 4.362 0 40 FIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C)c(C)c2)c1 14258471 ZTXAWFLXHNEWRG-UHFFFAOYSA-N 360.841 4.323 0 40 FIAB Cc1cc(S[C@@H](C)C(=O)N2CCCc3ccccc32)nc(C(C)C)n1 16454220 RFWUFHDKJYYFRP-HNNXBMFYSA-N 355.507 4.368 0 40 FIAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3)c3ccccc32)cc1 16778043 MLUHJMYKKMMEHZ-UHFFFAOYSA-N 369.424 4.473 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cn(C)c2ccccc12 17206045 GXILHBQIFMCJOK-UHFFFAOYSA-N 351.402 4.137 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1 17337072 JFMGYDSHIIGXAS-UHFFFAOYSA-N 372.471 4.230 0 40 FIAB Cc1ccc(C)c(OC(=O)CCN2C(=O)CSc3ccccc32)c1C 17338837 IYRJSEVYUFMZGI-UHFFFAOYSA-N 355.459 4.046 0 40 FIAB O=C(/C=C\c1ccccc1)OCCCCOC(=O)/C=C\c1ccccc1 17381162 OWHNFZZYMMANGT-VMNXYWKNSA-N 350.414 4.280 0 40 FIAB CC(C)c1ccc(C2N3CC4(C(C)C)CN2CC(C(C)C)(C3)C4=O)cc1 19323254 RIFWLTHJDXCWMC-UHFFFAOYSA-N 354.538 4.307 0 40 FIAB biogenic C[C@H](NC(=O)COc1ccc(Cl)cc1)c1cccc(Br)c1 19935006 IUHGZVPWRFSVQY-NSHDSACASA-N 368.658 4.359 0 40 FIAB Cc1ncc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1 19937160 RJCLLAVTABHHEF-UHFFFAOYSA-N 363.261 4.383 0 40 FIAB O=C(O)c1ccc(NC(=O)c2ccccc2Br)cc1Cl 20137820 IBJNSWKMZYSNKS-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB CC[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc(C)cc1 20486389 DCWWGUOXAYRZBZ-KRWDZBQOSA-N 362.267 4.404 0 40 FIAB C[C@H]1CCc2onc(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)c2C1 20572114 DHNIUOSEDJXWNA-JTQLQIEISA-N 357.797 4.360 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577125 LTXPICUFEINCKT-UHFFFAOYSA-N 371.481 4.251 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)no2)cc1 21800523 GHDMWLZPBSWNKX-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccs2)c1 23055007 NPCPECVGVPIRSE-UHFFFAOYSA-N 373.459 4.193 0 40 FIAB COc1ccc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)cc1OC 24732963 DIRZOJZRTBPHJB-UHFFFAOYSA-N 373.880 4.138 0 40 FIAB CCc1sc(NC(=O)C2CC2)nc1-c1ccc(Br)cc1 27757307 ZGALRCPFIVPMKV-UHFFFAOYSA-N 351.269 4.484 0 40 FIAB O=C(c1ccccc1Cc1ccccc1)N1CCO[C@H](c2ccccc2)C1 27913402 IUZIPEOXMZIYSE-QHCPKHFHSA-N 357.453 4.491 0 40 FIAB CC(C)C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1 30893981 IJKUJLVWZYVQQL-LJQANCHMSA-N 353.462 4.294 0 40 FIAB CCCN(CC(=O)Nc1ccccc1C)C(=O)C[C@@H](C)c1ccccc1 31461194 OAIYIVBUPTYQBO-GOSISDBHSA-N 352.478 4.366 0 40 FIAB COC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(SC)n2)cc1 31773935 OSKOAAKEOBYRGY-UHFFFAOYSA-N 351.431 4.396 0 40 FIAB O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31961084 CNJBPCKMTURMCS-FMIVXFBMSA-N 361.488 4.116 0 40 FIAB COc1ccc(CCC(=O)N(C)[C@H]2CCCc3ccccc32)cc1OC 32480969 PDFSPAQPFFLELZ-IBGZPJMESA-N 353.462 4.172 0 40 FIAB C[C@@H](C(=O)NCCSc1ccc(Cl)cc1)n1cnc2ccccc21 36834351 ZRTCRQFIJQIVNV-ZDUSSCGKSA-N 359.882 4.159 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc2ccccc2o1 39980636 QROJJCXCHSZVSQ-DZGCQCFKSA-N 358.438 4.010 0 40 FIAB C[C@H](c1ccccn1)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl 48289610 RZXMJAZTHJDRPS-LLVKDONJSA-N 371.289 4.303 0 40 FIAB O=C(CN1CCC[C@@H]1c1ccsc1)N1CCC(Cc2ccccc2)CC1 48324395 PHPSWTIKVQAVND-OAQYLSRUSA-N 368.546 4.366 0 40 FIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1F 49005541 BHVUDSKHMBAVQM-UHFFFAOYSA-N 370.403 4.442 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1cc(OC)ccc1OC 49546094 SEWLTJAATHKVBH-UHFFFAOYSA-N 371.462 4.156 0 40 FIAB COc1ccc(C)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364478 JELNZYBLCNFHKY-SFHVURJKSA-N 374.440 4.162 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cn3ccccc3n2)cc1 58162537 GELLKWWFZISOOQ-OAQYLSRUSA-N 370.412 4.114 0 40 FIAB C[C@](O)(CCc1ccccc1)CNC(=O)Nc1ccc(Cl)c(Cl)c1 62021542 XUJVHHUOQKUFNL-SFHVURJKSA-N 367.276 4.499 0 40 FIAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1O 69463309 LNYWUJVEEAAOPN-UHFFFAOYSA-N 356.447 4.025 0 40 FIAB COc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1OC 71326262 WYLJUXMJKUMNKO-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB Cc1cccc2c1ccn2CCC(=O)N1CCc2[nH]c3ccccc3c2C1 72324535 QQPKRBGLJJHAEA-UHFFFAOYSA-N 357.457 4.406 0 40 FIAB biogenic CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72350284 QNIMHLQCQGRHHO-FQEVSTJZSA-N 360.505 4.268 0 40 FIAB O=C(Nc1cccs1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165915 BNHJKWNVAUOELG-GJZGRUSLSA-N 359.451 4.430 0 40 FIAB FC(F)(F)C(F)(F)SCCNCc1ccc(Br)cc1 95918388 CMTCPPCXFODXHK-UHFFFAOYSA-N 364.177 4.427 0 40 FIAB CCN(Cc1nc(N)c2c(C)c(C)oc2n1)[C@H](C)c1cccc(OC)c1 95967000 IPKLZKIQEHKCKH-CYBMUJFWSA-N 354.454 4.014 0 40 FIAB Cc1ccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227270 USNXXBXAOIHUKA-NQIIRXRSSA-N 367.424 4.017 0 40 FIAB CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1ccc(Cl)cc1 101660320 WJMNEDQYCHOOIV-UHFFFAOYSA-N 370.836 4.021 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 216356431 FWTOZGFCVJTVBB-MRXNPFEDSA-N 368.296 4.020 0 40 FIAB Cc1nc(C2CC2)ncc1C(=O)Nc1ccc(OCc2ccccc2)cc1 222565383 KAXMQIMOJJIQBA-UHFFFAOYSA-N 359.429 4.494 0 40 FIAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCc1cccc2ccccc12 222679841 KTCPWXMCXNIQIK-UHFFFAOYSA-N 371.440 4.481 0 40 FIAB COc1ccc(C)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225008439 ZBZBGBKGFOOSQN-UHFFFAOYSA-N 363.479 4.245 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225118790 UUVNOPPDENXJAU-SZHLLGMXSA-N 374.440 4.236 0 40 FIAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 225332865 ZLFBIXFZTNRZSR-OAHLLOKOSA-N 359.297 4.037 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C)cc1C 225717066 FVPIBLPADZMVLP-LJQANCHMSA-N 369.534 4.443 0 40 FIAB Cc1nc(Nc2cccc(C3CCN(C4CCOCC4)CC3)n2)sc1C 257206075 BBSHCWAOOIDUQM-UHFFFAOYSA-N 372.538 4.257 0 40 FIAB CC1(c2ncc(Cc3cccc(F)c3)o2)CCN(C(=O)C2CCC2)CC1 257244651 IMFXUMRBKCQKAU-UHFFFAOYSA-N 356.441 4.085 0 40 FIAB Cc1nccnc1[C@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)cc1 257267375 MGZZRWLWVIKGBS-OAQYLSRUSA-N 373.456 4.487 0 40 FIAB Cc1cccnc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257276251 NSZMGNLSAAVHJJ-LJQANCHMSA-N 361.445 4.336 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnc(C)o2)cc1 266215774 QUXYVCNUFMPXCN-INIZCTEOSA-N 353.447 4.256 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 408657088 IKGCGGBTCZIAMW-IAGOWNOFSA-N 351.446 4.467 0 40 FIAB Oc1nc(-c2cc3c(cc2Cl)OCO3)nc2sc3c(c12)CCCC3 408733817 AIZWFXDDRGKSGX-UHFFFAOYSA-N 360.822 4.325 0 40 FIAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)O)cc2)cc1 408824100 GYTGUDJUDABYOQ-UHFFFAOYSA-N 353.418 4.284 0 40 FIAB O=C(NCc1ccc(-c2cccs2)o1)c1cc(=O)c2ccccc2o1 575609641 ZHBHUFRAFQMQTR-UHFFFAOYSA-N 351.383 4.045 0 40 FIAB Cc1cccc(COC[C@@H]2CC3(CCN(CC4CCCCC4)CC3)CO2)n1 2055803728 NSFGSGSFEXTCHN-QFIPXVFZSA-N 372.553 4.358 0 40 FIAB Cc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)cc1Cl 794535 SNOPWBIPXIYEHI-ZDUSSCGKSA-N 351.233 4.091 0 40 FIAB COc1ccc([C@H]2C[C@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 803149 FXEYVUGHTJFIQK-WOJBJXKFSA-N 371.444 4.168 0 40 FIAB CCn1c(C)nc2ccc(C(=O)OC(C(F)(F)F)C(F)(F)F)cc21 1271951 OTTKKYJPZQIUHJ-UHFFFAOYSA-N 354.250 4.015 0 40 FIAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)/C=C/c3ccccc3)cc12 1306962 RGRLMHBEAWURAY-JLHYYAGUSA-N 363.413 4.282 0 40 FIAB biogenic CCOc1ccccc1C(=O)Nc1nn(C)c2nc3c(C)cccc3cc12 2405986 LKGDCQQSGCJDSG-UHFFFAOYSA-N 360.417 4.081 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cccc(C)c1 2963384 QBNFYTFJCOYDND-UZLBHIALSA-N 354.475 4.328 0 40 FIAB C[C@H]1CCCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 4043339 QIIGQAJZDPRKOE-VIFPVBQESA-N 373.667 4.049 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3Cl)C2)cc1OC 4194569 GLAAWRHYKDWRGZ-QGZVFWFLSA-N 358.825 4.055 0 40 FIAB Cc1cc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c(C)n1C1CC1 4880213 NRDWBHNOHOOUJM-UHFFFAOYSA-N 370.453 4.339 0 40 FIAB CCOc1ccccc1OCc1nn2c(-c3cccc(C)c3)nnc2s1 4938711 PPHIHUCKNOAUIC-UHFFFAOYSA-N 366.446 4.139 0 40 FIAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 5184768 JJDTWPJKOMVABN-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB COCCCn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 5215603 LBJNDTJULQHZBN-UHFFFAOYSA-N 352.825 4.336 0 40 FIAB Cc1ccccc1NC(=O)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269473 XFWZRFIPEJTROO-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB COc1cccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1 5362056 BYOFEKOKAKKOBI-ZDUSSCGKSA-N 373.474 4.210 0 40 FIAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1)Oc1ccccc1 5603632 VHBHRCAHOWALSO-HXUWFJFHSA-N 360.413 4.025 0 40 FIAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 5710628 GXNGMMIYMJMGFF-HNNXBMFYSA-N 372.490 4.231 0 40 FIAB Cc1cc(C)c(OCC(=O)NCC2(N3CCCCC3)CCCCC2)c(C)c1 6280417 HIVQKLQVCIXXRN-UHFFFAOYSA-N 372.553 4.296 0 40 FIAB COc1cccc(C(=O)Oc2ccc(C3SCCS3)cc2OC)c1 6540422 CYRFKFXNJHPMGM-UHFFFAOYSA-N 362.472 4.402 0 40 FIAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 7224490 IAFQPKHERLNEPW-JTQLQIEISA-N 366.248 4.391 0 40 FIAB CCOc1ccc(NC(=O)CSc2nccn2-c2ccccc2C)cc1 7390810 NQQGDSQZUACGNH-UHFFFAOYSA-N 367.474 4.310 0 40 FIAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ccc(Br)cc1 7604243 QOWSZFNZKDUYKN-LLVKDONJSA-N 368.300 4.346 0 40 FIAB Cc1nc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)sc1C 7685861 LJCNKFRTVJLNJS-UHFFFAOYSA-N 366.442 4.008 0 40 FIAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 7882146 MVOCRKXGYOYJPB-APWZRJJASA-N 358.441 4.388 0 40 FIAB Cc1ccccc1N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 8023249 YGTMNJBGFAPGQZ-UHFFFAOYSA-N 361.489 4.148 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 8051135 GPFKHJDHFWHRCN-MRXNPFEDSA-N 363.841 4.462 0 40 FIAB Cc1ccc(/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 8084337 FMDPGJAGNPLSTR-UFWORHAWSA-N 368.271 4.276 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 8372243 ZMPLGQFIJNTHKZ-UHFFFAOYSA-N 366.442 4.222 0 40 FIAB CC[C@H](c1ccccc1)c1nn2c(Cc3ccc(OC)cc3)nnc2s1 8392943 PLXYFWRVFNUQGX-QGZVFWFLSA-N 364.474 4.327 0 40 FIAB COc1ccc(/C=C/c2nn3c(Cc4ccccc4F)nnc3s2)cc1 8715044 XZFYUYSKJNOBBF-DHZHZOJOSA-N 366.421 4.095 0 40 FIAB Cc1ccn2cc(-c3ccc(NC(=O)CCc4ccccc4)cc3)nc2n1 9572109 FBDRAASSTCSHPI-UHFFFAOYSA-N 356.429 4.276 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1C 10684214 PJIILXILAZDDML-VQIMIIECSA-N 368.477 4.319 0 40 FIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3F)c12 12229724 KLEWHMKWLBBILL-UHFFFAOYSA-N 361.376 4.267 0 40 FIAB COc1cccc(NC(=O)COc2c(C)cc(Br)cc2C)c1 12489712 VGVPGADLZBBLIF-UHFFFAOYSA-N 364.239 4.092 0 40 FIAB CC(C)CSc1nnc(SCc2nc(N)c3ccccc3n2)s1 12606656 VKLVIHLNNCVEFH-UHFFFAOYSA-N 363.537 4.104 0 40 FIAB CCCOc1ccccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12785880 GNDZMSRYLFEOAO-UHFFFAOYSA-N 351.406 4.450 0 40 FIAB COC(=O)CCCCCNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 12919300 GAKHMNAWHHFQKG-UHFFFAOYSA-N 359.466 4.257 0 40 FIAB Cc1nc(O)c2nsc(C(=O)Nc3ccccc3-c3ccccc3)c2n1 13564092 PUNNWJOGHSRRCP-UHFFFAOYSA-N 362.414 4.020 0 40 FIAB COc1ccc(CNCC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1 13756200 RTMYNEJVZJZFHI-DCLXLUIPSA-N 366.549 4.473 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CSc1nc(C)c2c(n1)CCCC2 14162153 SQMPWDWECIKHIJ-UHFFFAOYSA-N 361.898 4.356 0 40 FIAB CCOC(=O)n1c(CSc2ccccc2C(=O)OC)nc2ccccc21 15108495 AQPMHXQGGJFZIL-UHFFFAOYSA-N 370.430 4.120 0 40 FIAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 16032401 RTQPKUXSROKHRJ-QNWVGRARSA-N 365.473 4.204 0 40 FIAB biogenic COc1ccccc1N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 17333409 YCYAFOSDPGMMRG-UHFFFAOYSA-N 371.289 4.026 0 40 FIAB Cc1cc(C(=O)OCc2cc(-c3ccco3)on2)c(C)n1Cc1ccco1 19355690 GUVYPWWVJQCBJV-UHFFFAOYSA-N 366.373 4.351 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c(C)c1 20144056 NSAFYJKLYGAEFR-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB CCCc1c(C(=O)OCC)nnc2c(-c3ccc(Cl)cc3)c(CC)nn12 20633767 ZZQPVYAOZWFKBU-UHFFFAOYSA-N 372.856 4.136 0 40 FIAB C[C@@H](OC(=O)CSc1ccccc1Cl)C(=O)Nc1ccccc1F 21183391 ZAJPPKSZHFHSCK-LLVKDONJSA-N 367.829 4.142 0 40 FIAB O=C(CCCSc1nnc(NCc2ccco2)s1)c1ccccc1 22087341 CIMHVQNGRGSJEC-UHFFFAOYSA-N 359.476 4.498 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)NC1CCCCC1 22906856 SWDSLSNKXWEMQS-HXUWFJFHSA-N 367.493 4.011 0 40 FIAB CCc1cccc2c(C(=O)CN3CCO[C@@H](c4ccc(F)cc4)C3)c[nH]c12 23186466 FXWRHZNCWBAAMR-OAQYLSRUSA-N 366.436 4.126 0 40 FIAB C[C@@H](NC(=O)CN1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)CCCC2 24798559 WTLJONSCQMTXQQ-RDTXWAMCSA-N 368.443 4.017 0 40 FIAB C[C@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 24989609 QMMLGSKCWJTUHD-ZANVPECISA-N 356.369 4.227 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(-c2ccccc2)no1 25048877 ZFMAPHRSHHDZPC-UHFFFAOYSA-N 353.349 4.187 0 40 FIAB CCCn1nccc1C(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2)c1C 28243700 FVZMOWMUDXMKKI-UHFFFAOYSA-N 371.872 4.060 0 40 FIAB O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccccc1)Cc1ccco1 28580848 MNBSEQDNCXVDEA-IBGZPJMESA-N 371.864 4.375 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)Nc1ccccc1N1CCCC1 32678853 SJRZXGDLQISBPL-CSKARUKUSA-N 361.239 4.294 0 40 FIAB Cc1ccc(C(=O)CCC(=O)Nc2cc3c(cc2Cl)OCCO3)cc1C 32850886 MOQGGURJSAVDGN-UHFFFAOYSA-N 373.836 4.330 0 40 FIAB CCc1sc(-c2nnc(CSc3nc(C(C)(C)C)n[nH]3)o2)cc1C 32883991 ZBVPUAWMZJVLAS-UHFFFAOYSA-N 363.512 4.377 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3nc(Cl)ccc3Cl)c2)n1 33125208 PYMUWMFCJYXCAM-UHFFFAOYSA-N 359.216 4.406 0 40 FIAB CN(c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1)C1CCCCC1 34295849 FWODRSKQJPKFDI-UHFFFAOYSA-N 353.418 4.090 0 40 FIAB COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1OCc1ccncc1 36759349 FAVICANPLYYWGM-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB Cc1c(C(=O)N[C@H](c2ccccc2)c2ccccn2)cnn1-c1ccccc1 40017325 RYBQNTWMMQZVJX-JOCHJYFZSA-N 368.440 4.095 0 40 FIAB CC(C)OCc1ccccc1CNC(=O)c1ccc(Br)s1 40069459 MTFMPHDPRCDLMM-UHFFFAOYSA-N 368.296 4.366 0 40 FIAB Cc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1F 40106724 XEQBCXQQSYYQOV-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CCCCCn1ccc2c(cnc3c(-c4ccccc4)c(CC)nn32)c1=O 40387812 MMRVDPJPFWMLCW-UHFFFAOYSA-N 360.461 4.464 0 40 FIAB CN(C)Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 48290104 LJXUTPDTHZDQBJ-UHFFFAOYSA-N 355.438 4.263 0 40 FIAB C[C@@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1ccc(-n2ccnc2)cc1 56793376 JQPHAWQRBVEUBO-UZLBHIALSA-N 352.482 4.298 0 40 FIAB CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccc(Cl)c1Cl 57756277 XEHZBBDRNGXTCR-UHFFFAOYSA-N 366.170 4.024 0 40 FIAB COc1ccc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1 58029785 AWOVTPKTDHJBHM-UHFFFAOYSA-N 374.912 4.111 0 40 FIAB CN(C)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760821 HMHGXWYPPDUJFV-UHFFFAOYSA-N 355.385 4.460 0 40 FIAB C[C@@H](NC(=O)CCOc1ccccc1F)c1ccc(OC(F)(F)F)cc1 71881685 BVNCNSJLQHUUNW-GFCCVEGCSA-N 371.330 4.371 0 40 FIAB COC(=O)c1sc(NC(=O)c2cc(C)sc2C)nc1C(C)(C)C 72309302 OCGNHYSIPGMZHF-UHFFFAOYSA-N 352.481 4.158 0 40 FIAB C[C@H](NC(=O)Nc1ccccc1Cl)c1noc(Cc2ccccc2)n1 79772826 PHVLMYPCWOWABN-LBPRGKRZSA-N 356.813 4.197 0 40 FIAB CCc1ccccc1NC(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 89289571 AKLYINJUFDAVHO-UHFFFAOYSA-N 359.473 4.458 0 40 FIAB CC1CCN(C[C@@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 95393014 KZFKDZJAMMCACO-NRFANRHFSA-N 364.533 4.353 0 40 FIAB COc1ccc(-c2nn3c(-c4cc(OC)ccc4O)ccnc3c2C)cc1 95475638 MDNVMTHZBHKOFT-UHFFFAOYSA-N 361.401 4.095 0 40 FIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 100664029 HZLMGZJTPOTYLZ-ILHTXMRTSA-N 371.436 4.345 0 40 FIAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(Cl)c1 101276727 GXLRKWOBSWMAHC-ZDUSSCGKSA-N 369.635 4.391 0 40 FIAB CCOC(=O)c1c(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)sc(C)c1C 102267221 FAQMGCVYYDNRER-AVGNSLFASA-N 352.525 4.017 0 40 FIAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccccc1Sc1ccccc1 102439887 HTZDTCDRIHBIKK-QAMTZSDWSA-N 365.454 4.299 0 40 FIAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2F)C[C@H](c2ccco2)C1 102749067 FNBVKHWGJSTEKG-BTDLBPIBSA-N 366.352 4.431 0 40 FIAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1 106697657 BPMWUAFPXVWNAA-BOPFTXTBSA-N 357.406 4.461 0 40 FIAB Cc1ccccc1CSCC(=O)NCc1ccccc1-n1ccnc1C 216458718 UVQNJNPMUIFVML-UHFFFAOYSA-N 365.502 4.039 0 40 FIAB CCCOc1ccccc1CCCNC(=O)COc1ccc(CC)cc1 218956424 DUWAPNSBFHXBOY-UHFFFAOYSA-N 355.478 4.166 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1C 219528806 MFFTVJIIUBRSOZ-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c1 219590856 QGISQNVPEFXQCW-IBGZPJMESA-N 355.434 4.276 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222796746 NIQMVCOISUZWGF-RTBURBONSA-N 366.465 4.004 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(CC)cc1 222872665 UVMMTXRJPJASFT-LJQANCHMSA-N 355.434 4.222 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1OC 223150214 AAHQVJWHJMYHFX-JQVXPOPVSA-N 351.446 4.083 0 40 FIAB C[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)CCC2 223176184 DUAPHVOLTUKRBL-OAHLLOKOSA-N 370.452 4.166 0 40 FIAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1C 223457314 YQOXIUPGKPHVMX-QGZVFWFLSA-N 350.462 4.230 0 40 FIAB O=C(CSCc1ccc(F)cc1)NCc1cccc(C(F)(F)F)c1 223851747 WTJYIDAMFSOUHI-UHFFFAOYSA-N 357.372 4.394 0 40 FIAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCOCC2)c1 225565878 QHFZVVGINRSIHM-UHFFFAOYSA-N 353.462 4.469 0 40 FIAB COC(C)(C)CCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1Cl 225646296 SDMJWIAQZLOJIW-LJQANCHMSA-N 369.889 4.288 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1C(C)C 225743311 VDHMHTUEXSZAMQ-LJQANCHMSA-N 373.518 4.483 0 40 FIAB O=C(Nc1ccccc1Br)c1snnc1-c1ccccc1 225759264 FWEQWIBPHBACSH-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB C[C@@H](NC(=O)c1snnc1-c1ccc(Cl)cc1)c1ccc(F)cc1 225772287 MATSMYZBJGVCQD-SNVBAGLBSA-N 361.829 4.489 0 40 FIAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccccc2C)c1 226356695 HOXIFRDERWSAOQ-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408706933 FJSZJVYMEJEVNP-LMDPOFIKSA-N 370.537 4.323 0 40 FIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 409333144 CMQFBFBCDFWWHN-DNLDMXRNSA-N 363.413 4.410 0 40 FIAB c1ccc([C@@H]2c3ccccc3CCN2Cc2nnc3n2CCCCC3)cc1 550345288 YAAQCOIRARWYGW-HSZRJFAPSA-N 358.489 4.152 0 40 FIAB Cc1ccc(NC(=O)N(C)C[C@H]2C[C@@H](O)C2)cc1OCC1CCCCC1 626400205 XISWPBGWBRFKQV-IZAXUBKRSA-N 360.498 4.189 0 40 FIAB Cc1cc(C(=O)NCc2noc3cc(F)ccc23)c(-n2cccc2)s1 1615611190 VNUSXHMDSUDGLY-UHFFFAOYSA-N 355.394 4.058 0 40 FIAB c1ccc(CN2CCC[C@@H](c3ccnc(Nc4nccs4)n3)C2)cc1 2037834699 DPBLOLHNKSVBDH-MRXNPFEDSA-N 351.479 4.056 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)O)n2-c2ccc(C)cc2)cc1 916879 NBITUMBDGQZXNW-AWEZNQCLSA-N 353.447 4.116 0 40 FIAB COc1cccc(C(=O)Nc2nnc(CSc3ccc(C)cc3)s2)c1 990282 VPGHGQXHBCHSGT-UHFFFAOYSA-N 371.487 4.400 0 40 FIAB CCOc1ccc2nc(NC(=O)Cc3noc4ccccc34)sc2c1 1018207 UOUIWTUESXXDBU-UHFFFAOYSA-N 353.403 4.017 0 40 FIAB Cc1cnc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)s1 1223909 OUCYYVXNNADKCC-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB Cc1ccc(C[C@H]2CN=C(N3CCN(c4ccc(C)cc4)CC3)S2)cc1 1440432 HTMRLCSZIIDUDL-NRFANRHFSA-N 365.546 4.140 0 40 FIAB O=C1Cc2cc(=C(c3ccccc3)c3ccccc3)ccc2=C1c1ccccc1 1578611 IFJXCIUNMGPDMV-UHFFFAOYSA-N 372.467 4.258 0 40 FIAB CCN(CC)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1672786 ATTUJSZFVYBJDS-UHFFFAOYSA-N 359.036 4.480 0 40 FIAB CC[C@@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O 2110762 GBOBWLUFIBYMHX-RHSMWYFYSA-N 365.477 4.497 0 40 FIAB biogenic O=C(O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc(C(=O)O)c1 2896438 YREAHWNLBMXDLH-UHFFFAOYSA-N 361.353 4.002 0 40 FIAB Cc1cc(C)nc(NC(=O)CSc2nc3cc(Cl)ccc3s2)n1 3221073 VNBYGJYTJQGCJG-UHFFFAOYSA-N 364.883 4.087 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(Cl)cc2Cl)c1 3517509 YLFUQAKREQVTEG-UHFFFAOYSA-N 352.217 4.270 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(Cl)cc1 4120076 DTVSDLPMBJHNSS-AWEZNQCLSA-N 374.893 4.239 0 40 FIAB COc1cccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c1 4137648 UNUQOELGVRNCMO-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB CCCCCc1c(C)nc(Nc2nc(C)c3cc(CC)ccc3n2)[nH]c1=O 4702781 KFTFQTWGKHWPAP-UHFFFAOYSA-N 365.481 4.369 0 40 FIAB CCC(=O)c1cc2c(cc1NC(=O)Nc1ccc(Cl)cc1)OCCO2 4723324 KPNKGNOLJZABSC-UHFFFAOYSA-N 360.797 4.348 0 40 FIAB Cc1ccc(-c2nnc3c4cnn(-c5cc(Cl)ccc5C)c4ncn23)cc1 5165013 KPGMAZURLMCLGX-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccccc3C)o2)cc1 5210641 FQGZOCXUPWEXBB-UHFFFAOYSA-N 367.474 4.104 0 40 FIAB CCc1ccc2c(COC(=O)c3ccc(OC(F)F)cc3)cc(=O)oc2c1 5228581 KBUGEJMBZYXVGQ-UHFFFAOYSA-N 374.339 4.314 0 40 FIAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1)OCCCO3 5353778 NEXKTFZNLLSLEA-CYBMUJFWSA-N 357.837 4.261 0 40 FIAB COc1cccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 5607725 UHOKAVNLVMJTPC-UHFFFAOYSA-N 366.442 4.203 0 40 FIAB CCOc1ccc(C2=N/C(=C\c3ccccc3OC(F)F)C(=O)O2)cc1 5703199 PJWMNAZXDFEVMY-PTNGSMBKSA-N 359.328 4.031 0 40 FIAB CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1 6169098 UKKMOGNSUXFQIF-UHFFFAOYSA-N 362.458 4.421 0 40 FIAB CC(C)(C)c1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1 6357445 UKEWRYCGURMRNT-UHFFFAOYSA-N 370.562 4.413 0 40 FIAB CCCCNCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6399186 CHVIABYJXVEWCA-KRWDZBQOSA-N 359.857 4.000 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1F 6596418 CIGYSXSWKBZYRK-RDTXWAMCSA-N 358.413 4.105 0 40 FIAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccccc3F)C2=O)cc1 6637931 MZLMFLYMCRIHCZ-NRFANRHFSA-N 354.425 4.090 0 40 FIAB CNC1=NC(C)=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)S1 6666337 RUSWPASHMKPZFL-SFHVURJKSA-N 352.459 4.067 0 40 FIAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 6880989 QUXKLKLOHOWUBY-KRWDZBQOSA-N 366.461 4.084 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 6987699 BHXGHSGXTFDCAZ-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB Cc1nn(CN(Cc2ccc(F)cc2)C2CC2)c(=S)n1-c1ccccc1 7316760 FJYFODZNLMUEKC-UHFFFAOYSA-N 368.481 4.473 0 40 FIAB c1ccc(-c2noc(CCCSc3nnc(C4CC4)n3C3CC3)n2)cc1 7551143 SPDIAQUCSFQGFV-UHFFFAOYSA-N 367.478 4.265 0 40 FIAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)o2)cc1 7609258 VCFQWIDTHVKMMI-UHFFFAOYSA-N 374.440 4.112 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1cccc(C(F)(F)F)c1 7709440 AHGVEHXOZDBFRP-UHFFFAOYSA-N 352.337 4.054 0 40 FIAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 7882293 NVKQDWFJKDKISB-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8041310 YOZZLOAGWPBXJL-SJORKVTESA-N 368.477 4.238 0 40 FIAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 8077337 GGXSRYNTJVAFBU-INIZCTEOSA-N 366.795 4.011 0 40 FIAB CCOc1cc(CNC(C)(C)CO)ccc1OCc1ccc(Cl)cc1 8254506 LAPABAKJTPANJI-UHFFFAOYSA-N 363.885 4.178 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2cccc(Cl)c2)CC1 9063340 IHAPGDVQWFGSIU-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1cccs1 9136224 LHDORNVNWSOAIW-UHFFFAOYSA-N 362.454 4.480 0 40 FIAB Cc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c(O)c1 9338268 SKTRAINYZDLWEE-UHFFFAOYSA-N 373.412 4.180 0 40 FIAB O=C(CCNC(=O)c1ccco1)Nc1ccc(-c2cc3ccccc3o2)cc1 9364900 JTGUPAWPVZICBC-UHFFFAOYSA-N 374.396 4.451 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCc2csc(-c3ccccc3)n2)c1 10893765 PVRWHJBAEAQPCO-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB CC[C@H]1c2ccsc2CCN1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 11473522 GYKZCCCABCQSQH-KSSFIOAISA-N 360.498 4.416 0 40 FIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(OCc2cscn2)cc1 11750422 DDDCLFRNPYGKTA-UHFFFAOYSA-N 364.470 4.184 0 40 FIAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(C)C)c1 12776811 BHZUWWZXXNHQRN-LJQANCHMSA-N 370.518 4.300 0 40 FIAB O=C(OCc1nc(-c2ccsc2)no1)c1cccc(C(F)(F)F)c1 12794389 CBNPGMYEYUZRAN-UHFFFAOYSA-N 354.309 4.174 0 40 FIAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1cccc(C(F)(F)F)c1 12850340 IYNORCWTDGCCCN-ZDUSSCGKSA-N 362.351 4.235 0 40 FIAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2c1 12854254 AKTSAMRBCZRMPJ-IAGOWNOFSA-N 360.457 4.460 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 12928788 PBNDICLNGYRMOW-MRXNPFEDSA-N 355.240 4.165 0 40 FIAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N[C@H]3CCc4ccccc43)c2C)no1 12985370 NKDQLDCTRIFBIG-BQYDLMEBSA-N 361.445 4.207 0 40 FIAB C[C@@H](O)CCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460237 YLEKEQNOOIMZQM-RHSMWYFYSA-N 350.455 4.071 0 40 FIAB biogenic,in-vitro Cc1ccc2cc3c(nc2c1C)OCCN(CCc1ccccc1F)C3 13563796 JPUYFUFKLQBDMV-UHFFFAOYSA-N 350.437 4.428 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1OC 13689124 KLDTXRPJUKYHAN-CQSZACIVSA-N 351.402 4.263 0 40 FIAB O=C(CNC(=O)C1CCCCC1)Nc1ccc2oc3ccccc3c2c1 14199970 PYFVARCFPMTZTB-UHFFFAOYSA-N 350.418 4.221 0 40 FIAB Cc1cc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)ccc1F 15593931 DOGOCAZGMBIBGI-UHFFFAOYSA-N 373.815 4.087 0 40 FIAB Cc1nn(C)c2nc(-c3ccc(N(C)C)cc3)c3c(c12)CC(C)(C)CC3=O 16266539 SEVNSXLTVKYLPB-UHFFFAOYSA-N 362.477 4.165 0 40 FIAB O=C(CCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 17074704 CWECLMUQVOVAEX-UHFFFAOYSA-N 363.288 4.275 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2cnc(Nc3cccc(C)c3)nc2C1 19958761 ZEXSHIXARPKINS-OAHLLOKOSA-N 359.429 4.450 0 40 FIAB CCCn1c(NC(=O)CCC(=O)c2ccc(C)s2)nc2ccccc21 22284841 MKWQYTNBOMYTJY-UHFFFAOYSA-N 355.463 4.418 0 40 FIAB CC(=O)Nc1sc2c(c1C(=O)OCc1nc3ccccc3o1)CCCC2 23262107 IKCKZXQQEWQDAE-UHFFFAOYSA-N 370.430 4.084 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)cn3)c12 26089433 ZRHKWZOOROOLSP-UHFFFAOYSA-N 354.753 4.092 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)n1 32578905 BYUCYFWWEPZDHC-UHFFFAOYSA-N 373.359 4.156 0 40 FIAB C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(-n2ccnc2)cc1 32970961 AUIMGPFVXPNEHQ-NSHDSACASA-N 361.779 4.295 0 40 FIAB COc1ccc(CC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1F 33215731 MOKXJXQHCWSXFN-UHFFFAOYSA-N 356.397 4.454 0 40 FIAB CC(C)Cc1nc2ccc(NC(=O)c3ccc4c(c3)OCCCO4)cc2[nH]1 36358816 LWMPGKWMNDQRSZ-UHFFFAOYSA-N 365.433 4.175 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1c(Cl)c2ccccc2n1C 40144324 YZFCEPPSBMKLPZ-UHFFFAOYSA-N 371.824 4.051 0 40 FIAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(-c2ccccc2)cc1 44949120 IXFKTKFXHVRGAF-UHFFFAOYSA-N 353.425 4.469 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 47716390 UTSRYVOWIUAMGM-YJBOKZPZSA-N 361.486 4.142 0 40 FIAB C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCc1ccccn1 48318174 ZTUQBTWWPVDDEB-LLVKDONJSA-N 355.290 4.228 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 57767140 BIXXIUDLSSAFSB-UHFFFAOYSA-N 373.518 4.050 0 40 FIAB O=C(NCc1noc(-c2cccs2)n1)c1cc(Cl)ccc1Cl 58202705 UNAJBKOFLZVWRY-UHFFFAOYSA-N 354.218 4.035 0 40 FIAB CC(C)(NCC(=O)Nc1cccc(F)c1)c1cccc(C(F)(F)F)c1 58324223 KXHQJIUKEULALY-UHFFFAOYSA-N 354.347 4.308 0 40 FIAB Cc1ccsc1[C@H](O)CNC(=O)C(c1ccccc1)c1ccccc1 70635680 PSOFLOXQEKKEDI-GOSISDBHSA-N 351.471 4.038 0 40 FIAB CCOC(=O)c1ccc2nc(-c3cncc(Br)c3)sc2c1 73635246 JRQBXWPWEMBKQA-UHFFFAOYSA-N 363.236 4.298 0 40 FIAB CN1CCC(N(C)c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)CC1 83877532 KUWJPONVNRNOSB-UHFFFAOYSA-N 374.435 4.139 0 40 FIAB CC(C)(C)CN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 90411759 RGDOHFRHWYUDCJ-UHFFFAOYSA-N 367.445 4.368 0 40 FIAB O=c1cc(CSc2nc3ccccc3n2C2CCCCC2)occ1O 96191922 CLXDOMLIELCCKL-UHFFFAOYSA-N 356.447 4.493 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1 102784568 PQEFVWPSUOALNZ-CECAUBDESA-N 371.525 4.295 0 40 FIAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 102820489 WZHRNCQJNJIYMA-BQFCYCMXSA-N 362.477 4.131 0 40 FIAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(C)C2=O)cc1OC 107875730 HYGVYPJEVCYHTJ-TVNQGELYSA-N 355.843 4.192 0 40 FIAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 153886217 HZPYTFCOVNZYGM-CYBMUJFWSA-N 357.325 4.366 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)c1 219555266 YPGGQOMXGJRVHA-IBGZPJMESA-N 366.505 4.030 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cccc(C)c1C 223945947 HHBVNRHYOHPJOH-LJQANCHMSA-N 355.478 4.273 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225066970 JFFBGOODAHFYKU-QGZVFWFLSA-N 370.474 4.013 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(Cl)cc1 225094626 SQASQVIATZRPIB-OAHLLOKOSA-N 357.881 4.345 0 40 FIAB COc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1Cl 225123151 NVWAXIQVTCTPAM-MRXNPFEDSA-N 355.217 4.385 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 225127298 FISJSCQEGCWUOT-UHFFFAOYSA-N 363.801 4.015 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1 225863453 LVTIIQANSVVFOC-UHFFFAOYSA-N 358.463 4.212 0 40 FIAB O=C1CCCN1c1ccc(NC(=S)NC2(c3ccco3)CCCC2)cc1 225865425 IYCXRQUUJAPSOQ-UHFFFAOYSA-N 369.490 4.162 0 40 FIAB Oc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)[C@H]1CCCO[C@H]21 257223207 DWJBZGVJKDHZQZ-PZJWPPBQSA-N 365.473 4.287 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@@H](C)SCc3ccccc3)CC2)c1C 408565418 KPYXGMZAIDDKJC-LJQANCHMSA-N 368.546 4.274 0 40 FIAB CCCn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccccc1 409086966 ICCXFSHIUSEPOP-HZPDHXFCSA-N 372.538 4.237 0 40 FIAB CC(C)C[C@@]1(C)CCCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 622638452 YQJDYMSUIYOYBY-GOSISDBHSA-N 364.852 4.101 0 40 FIAB Oc1ccc([C@H]2CCCN2Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 676037962 LPKPMLVQWFOREM-QGZVFWFLSA-N 357.360 4.058 0 40 FIAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1Cc1ccccc1Cl 1615614435 GPLPLUTXGVIOOX-BEFAXECRSA-N 358.825 4.114 0 40 FIAB Cc1nn(C)c2sc(C(=O)O[C@@H](C)c3ccc(OC(F)F)cc3)cc12 72038546 PMXGLFCILYKMJN-JTQLQIEISA-N 366.389 4.463 0 40 FIAB CC(=O)Nc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1Cl 45987485 FBNNTMWQYTYMLK-SJKOYZFVSA-N 367.877 4.015 0 40 FIAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)Nc2ccc(C)cc2)cc1 825362 COCMZWLQAPPVOH-JWWGGVBKSA-N 360.457 4.319 0 40 FIAB Fc1ccc(-c2cc3nc4c(c(NC[C@H]5CCCO5)n3n2)CCCC4)cc1 1341472 TXYPRCWUJLEMMK-MRXNPFEDSA-N 366.440 4.005 0 40 FIAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)C3CCCCC3)C3CC3)cc2c1 1364776 OOWBPLXUUCWCSC-UHFFFAOYSA-N 352.478 4.216 0 40 FIAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCCC1 3500945 SQJMBHDBTCGNKS-UHFFFAOYSA-N 367.449 4.150 0 40 FIAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Oc1cccc2cccnc12 60370210 CYCDTLVOMTYZTB-UHFFFAOYSA-N 367.348 4.162 0 40 FIAB CCOc1ccc(N2C(=S)N[C@H]3C[C@]2(C)Oc2ccc(OC)cc23)cc1 4372260 VHTVZGVTYHOSDH-PXNSSMCTSA-N 370.474 4.028 0 40 FIAB CCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)C(C(=O)OC)=C1C 6647083 HCJXXEOVMYWPKV-JXAWBTAJSA-N 355.478 4.457 0 40 FIAB CCC[C@H](NC(=O)NCc1ccccc1Cn1cccn1)c1ccccc1 32795018 WUWAJQGHEGYHPQ-NRFANRHFSA-N 362.477 4.272 0 40 FIAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1 11914177 QKTYGYFOBPXHGS-UHFFFAOYSA-N 351.406 4.476 0 40 FIAB Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C 8508135 UXDNWODAPRLXJA-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@H](CN(C)C)c1ccccc1 29953887 VGEUNKUDVHRRFO-HXUWFJFHSA-N 367.880 4.229 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 9064142 IWXVGHVVVUOXMB-UHFFFAOYSA-N 353.447 4.354 0 40 FIAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2cccc(Cl)c2)o1 20745392 FGLJMSIUUFYFIR-OAHLLOKOSA-N 371.849 4.436 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(I)cc2)c(C)c1 682384 GELDLBFNGZCUAW-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=S)Nc2ccccc2)cc1 100857987 HTDMUPBIPUHCSQ-GOSISDBHSA-N 367.474 4.153 0 40 FIAB O=C(c1ccc(-c2ccccc2)cc1)n1c(S)nc2ccccc2c1=O 103650421 XEAHDCNNVXRFCN-UHFFFAOYSA-N 358.422 4.041 0 40 FIAB COc1cccc(N2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]2C)c1 89939383 CIFDOEARVMJCQO-CVEARBPZSA-N 357.498 4.252 0 40 FIAB CCOc1c(Cl)cc(CNC(=O)Nc2ccc(F)cc2F)cc1OC 47334228 IYXNDTRWXYBMIA-UHFFFAOYSA-N 370.783 4.347 0 40 FIAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 101277105 ABPCEEQHNUSSNO-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(C2CC2)n(C)c1=S 24082789 SKJLXXLPWRKIDK-NSHDSACASA-N 359.524 4.089 0 40 FIAB C[C@@H]1CCCN(Cc2nc(O)c3sc(-c4ccc(F)cc4)cc3n2)C1 24165004 QCHGTYSAWGXSCM-GFCCVEGCSA-N 357.454 4.435 0 40 FIAB CC(C)c1nnc(NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)s1 43697011 XDZRKAUTEXBDKW-UHFFFAOYSA-N 367.478 4.464 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Br)no2)cc1 27579916 GQEZCUUPRHSUBT-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB Cc1n[nH]c(-c2ccccc2NC(=O)c2ccc(Br)cc2C)n1 58225397 NFRKRXONPUSHRO-UHFFFAOYSA-N 371.238 4.103 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(C(F)(F)F)cc2)[C@H](c2cccnc2)C1 36359607 YHAVSMXJZPLCNA-AWEZNQCLSA-N 358.323 4.410 0 40 FIAB Oc1cccc2ccc[n+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)c12 2329680 ZZNGLWQDMUIOAM-GOSISDBHSA-O 369.444 4.002 0 40 FIAB CCCCn1nc(NC(=O)c2cccnc2)c2cc3cccc(C)c3nc21 2421009 INBONFZHOJSTSO-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(c1cccc(F)c1)C3 2408712 HGKJHENYYJVNCH-UHFFFAOYSA-N 371.795 4.431 0 40 FIAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 3319917 VDYHXAASODSYFB-QFIPXVFZSA-N 350.462 4.260 0 40 FIAB COc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(Cl)cc1Cl 3354937 XAQWCDQVEWKXMK-UHFFFAOYSA-N 370.232 4.337 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NC[C@H]4COc5ccccc5O4)c23)C1 3342400 XQOXACURCVNSFE-STQMWFEESA-N 367.474 4.068 0 40 FIAB Cc1ccc(C)c(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 12735536 ZJBUYGRBWUEZAH-UHFFFAOYSA-N 365.473 4.170 0 40 FIAB COc1ccc([C@@H](NC(=O)c2ccc(-n3nccc3C)cc2)C2CC2)cc1 48252925 YFNRIPVVYRWWEX-NRFANRHFSA-N 361.445 4.070 0 40 FIAB COc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1OC(F)F 13011768 MREWDENQMNBOOZ-UHFFFAOYSA-N 369.339 4.233 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)c(C)c1 13013605 QGCGURLEMJFRNS-OAHLLOKOSA-N 353.491 4.372 0 40 FIAB CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(=O)OC)c3)c2c1 3953596 BXHQFPLAWSDLAA-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(F)c(F)c1 7922148 ZYAWUWPGVUGHAD-LLVKDONJSA-N 361.417 4.206 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSc2ccccc2)CC1 301142918 HDXGZPVLSKHLJK-UHFFFAOYSA-N 360.910 4.089 0 40 FIAB CSc1cccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c1 6115844 FKKXVENUWQCNLF-UHFFFAOYSA-N 365.454 4.286 0 40 FIAB Cc1ccc(Cn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1 4386840 AVGSDKUPLSTGPQ-UHFFFAOYSA-N 373.456 4.349 0 40 FIAB COc1ccc([C@@H](CNc2nccc(OC)n2)c2c[nH]c3ccccc23)cc1 8186302 YINWZCZQIBCRKB-GOSISDBHSA-N 374.444 4.219 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Br 5260111 JOSDOWCCTRZNIQ-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB Cc1ccc(-c2cc(NC(=O)COCc3ccccc3Cl)[nH]n2)s1 65474927 GIJSBIIOLWYPRH-UHFFFAOYSA-N 361.854 4.255 0 40 FIAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccccc1C(F)(F)F 5308765 MPJCWSALZABIRL-UHFFFAOYSA-N 369.364 4.051 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)c1nc(C(F)(F)F)nc2ccccc12 14200156 MTUSBBPRXRIYHM-UHFFFAOYSA-N 361.323 4.014 0 40 FIAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1Cl 6548329 HPRQWZCEEAEVNL-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB CN1C(=S)S[C@@H](N(O)C(=O)Nc2cccc3ccccc23)C1(C)C 4795234 PPXDDSODTJMVDB-CQSZACIVSA-N 361.492 4.131 0 40 FIAB Cc1nnc(NC(=O)CSC(c2ccccc2)c2ccccc2)s1 14714753 UVOISUPTKIUJPH-UHFFFAOYSA-N 355.488 4.308 0 40 FIAB O=C1/C(=C/c2cccc(F)c2)SC(=S)N1c1ccc2c(c1)OCCO2 15520339 USFKMTDXTQMKDA-SXGWCWSVSA-N 373.430 4.003 0 40 FIAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 15695065 MAAVWYGPKSQYEQ-WMADIVHISA-N 363.335 4.325 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 9750241 GFQIYEWTKGHASY-UHFFFAOYSA-N 369.392 4.469 0 40 FIAB COc1ccccc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1 27983732 BHDIPSOZNIKHGQ-UHFFFAOYSA-N 373.355 4.075 0 40 FIAB Cc1nc(NCCc2ccccc2)sc1C(=O)NC1CCC(C)CC1 71326467 OUMOUWUFOKQLJD-UHFFFAOYSA-N 357.523 4.415 0 40 FIAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)O 9435155 CUEHZWIHVOULOR-CRAIPNDOSA-N 352.434 4.220 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1F)CO3 19890887 JRLFROXGZLGECG-UHFFFAOYSA-N 367.420 4.198 0 40 FIAB O=C(/C=C/c1c(Cl)nc2sccn12)NCc1cc2ccccc2o1 84594961 NMPCCSCVVYWYCA-AATRIKPKSA-N 357.822 4.125 0 40 FIAB CC(C)CC(=O)Nc1c(Br)cc(F)cc1Br 95955774 DMQFARVPDZQDHV-UHFFFAOYSA-N 353.029 4.335 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2cccc(SC)c2)cc1 36353326 RQDIWCWAVUKMJH-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB CCn1cc(C(=O)Nc2cc(C)ccc2OC)c(=O)c2cc(Cl)ccc21 181832190 RJDOMSSKMJWNAP-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)N1C[C@@H](O)C[C@@H]1c1ccccc1 1562097954 WZMFTUHUDQWTBN-ZWKOTPCHSA-N 365.458 4.150 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 30864634 XCZJHUMSJWLCKB-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)N1CCCCC1 46079025 XLXVYLIJUNHRHZ-UHFFFAOYSA-N 366.436 4.045 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1C(C)C 223788980 JBUFTUISTBYATN-KRWDZBQOSA-N 355.478 4.335 0 40 FIAB COc1cc(CNC(=O)c2ccc3c(c2)CCCC3)ccc1OC(C)C 225631495 OKNIBLNRMOVYHT-UHFFFAOYSA-N 353.462 4.291 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)C1(c2ccccc2)CCCC1 224607254 YVXWKASVCPFKLI-LJQANCHMSA-N 362.517 4.456 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(F)cccc4F)OCC[C@@]31C2 257215381 CPWJUGJNXFTHLE-RWNFADDYSA-N 363.448 4.373 0 40 FIAB CC[C@@H](C(=O)NC[C@](O)(c1ccsc1)c1cccs1)c1ccccc1 253399923 KCLRVWGZKVUOLU-XLIONFOSSA-N 371.527 4.356 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 5559030 DPRHRXGGNHMHMI-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB Cc1ccc2c(CC(=O)NCc3nc(-c4ccccc4)no3)c(C)[nH]c2c1C 12202537 ZDGYCKIEAITMFT-UHFFFAOYSA-N 374.444 4.002 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)NCCCc1ccccc1Cl 13647936 ZFHRSYKATXQPPN-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1OC 13708952 UXTLNNAXGWMUHP-CQSZACIVSA-N 351.402 4.263 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 14400192 JPKYDIQKZJTDSD-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB COc1cc(CNC(=S)Nc2ccc(Cl)cc2Cl)cc(OC)c1 16194917 OZZCFUBMYKKNOL-UHFFFAOYSA-N 371.289 4.497 0 40 FIAB Cc1cc(C)n([C@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)n1 19654581 XNASIXIZJMIDQN-QGZVFWFLSA-N 352.486 4.326 0 40 FIAB COc1ccc(COC(=O)Nc2c(SC)nsc2SC)cc1 1435702 VCGVKCSCMCPPMA-UHFFFAOYSA-N 356.494 4.344 0 40 FIAB COc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)cc1Cl 226318789 WMBHBQTXLIVHQH-UHFFFAOYSA-N 366.204 4.213 0 40 FIAB COc1ccc(C(=O)NCCc2ccc(-c3cccs3)s2)cc1OC 1889277392 SCLSXMKVDLOWRI-UHFFFAOYSA-N 373.499 4.466 0 40 FIAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccccc2Br)c1 13167541 LQNSZHNQXDEDNB-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 2468283 GHZRNLGHJISOGM-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB CC(C)n1nc(CN2CCCCC2)c2c1CN(Cc1ccc(F)c(F)c1)C2 2055718338 AUEYEROUISXICF-UHFFFAOYSA-N 374.479 4.244 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)NC1CCCCC1 22906860 SWDSLSNKXWEMQS-FQEVSTJZSA-N 367.493 4.011 0 40 FIAB Cc1cc(N2CCC[C@@H](COc3ncccc3Cl)C2)nc(C2CC2)n1 2298194314 DWLDIOWDQDXMOI-CQSZACIVSA-N 358.873 4.006 0 40 FIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCc3sccc3C2)s1 40047024 ZFUQKKBMHYGYFP-UHFFFAOYSA-N 372.490 4.447 0 40 FIAB CCNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1 878849 TWNVHJJKRQQRDA-UHFFFAOYSA-N 371.550 4.174 0 40 FIAB CC(C)C(=O)NC1CCC(CC2CCC(NC(=O)C(C)C)CC2)CC1 1456978 IQJDDBABOVLZQU-UHFFFAOYSA-N 350.547 4.039 0 40 FIAB Cc1cccc(C)c1OCCNC(=O)CCCc1c[nH]c2ccccc12 2191001 CAEIMEXXGUJWPQ-UHFFFAOYSA-N 350.462 4.303 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1C 2228201 RVXLJSCSJJRSHS-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB COc1cccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)c1 4120299 FBTKSMZUBQHBCF-UHFFFAOYSA-N 354.475 4.057 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccc(Br)cc1 4163654 FTNJECCIKWSEKZ-UHFFFAOYSA-N 357.207 4.060 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(F)cc1 4305482 XBKKVVOZPSKROJ-LJQANCHMSA-N 366.461 4.421 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)Nc4nc(C)cs4)sc3nc2c1 4848807 WTGRDBVMEFTBAP-UHFFFAOYSA-N 370.459 4.058 0 40 FIAB CC(C)(C)OC(=O)NCCc1nnc(SCc2cccc(Cl)c2)o1 5047395 HHLIMUDWJDGUII-UHFFFAOYSA-N 369.874 4.083 0 40 FIAB CCCC[C@@H](CC)CN[C@@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)O 5258232 XSCNERKRSDZAAY-PBHICJAKSA-N 368.905 4.236 0 40 FIAB CCSc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 5450412 UVXPVEDJGSIYNE-WDEREUQCSA-N 365.549 4.109 0 40 FIAB Cc1cccn2cc(CSc3ncnc4sc5c(c34)CCC5)nc12 5902288 XLUMIQVUGOAEGL-UHFFFAOYSA-N 352.488 4.428 0 40 FIAB CCc1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 5979063 VLONDZXPDCAYJF-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 6154109 VWMDOCOAWGHKDG-UHFFFAOYSA-N 371.396 4.253 0 40 FIAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2oc3ccccc3c2c1 6582987 ARHCGGPRYUBARP-CQSZACIVSA-N 358.397 4.343 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 6589584 KCLXTWXPRXZVLN-GFCCVEGCSA-N 359.882 4.494 0 40 FIAB CCOc1ncccc1C(=O)Nc1ccccc1Nc1ccc(OC)cc1 6650462 AFDFCOBUFQCCRB-UHFFFAOYSA-N 363.417 4.485 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O 6669883 FGRUEXVEDSHAGM-UHFFFAOYSA-N 374.227 4.100 0 40 FIAB Cc1cc(C(=O)OCc2nc(-c3cccs3)no2)c2ccccc2n1 7048314 LDZMODMTAJGWGA-UHFFFAOYSA-N 351.387 4.012 0 40 FIAB Cc1cccc(Oc2ccccc2NS(=O)(=O)c2c(C)noc2C)c1 7051282 DRDYHJYBSYNEEK-UHFFFAOYSA-N 358.419 4.193 0 40 FIAB O=C(CSCc1ccc(F)cc1)Nc1ccccc1Br 7146374 LCIOWGZAKAHART-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(Cl)c(Cl)c1 7272587 HNGOKTGBBZIDTR-UHFFFAOYSA-N 366.244 4.313 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 7719601 VJUNIXBRUYTAEY-HXUWFJFHSA-N 368.477 4.096 0 40 FIAB COc1ccc(C2=NN=C(Nc3c(C)cccc3C)SC2)cc1OC 7849234 WZBWYKBRHDXMGC-UHFFFAOYSA-N 355.463 4.240 0 40 FIAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1OC 7886178 HMMBELXVSYSHDC-GOSISDBHSA-N 358.825 4.086 0 40 FIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC[C@@H]2CCCO2)cc1 7988636 QHYOXBVLQULKPK-DSQUVOCVSA-N 369.505 4.191 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1OC 8856365 LKCABYHEHCWVDH-UHFFFAOYSA-N 370.434 4.175 0 40 FIAB CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 9741532 DHGZIYNGFSMCPZ-QGZVFWFLSA-N 365.458 4.232 0 40 FIAB O=C(c1cccc(Br)c1)N1CCc2[nH]c3ccccc3c2C1 9899786 AIYMAKVRGWEORL-UHFFFAOYSA-N 355.235 4.129 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 10025265 VBBDXYZBTKZTFS-UHFFFAOYSA-N 358.869 4.314 0 40 FIAB O=C(CSc1nc(Cc2cccs2)n[nH]1)C12CC3CC(CC(C3)C1)C2 11600680 PKMGMCRJVXGSPC-UHFFFAOYSA-N 373.547 4.335 0 40 FIAB Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1C(=O)C1CCCCC1 12120220 XTXUPHBOZXMWBU-CQSZACIVSA-N 357.420 4.463 0 40 FIAB C[C@@H](NC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21)c1ccncc1 12144005 PZALTMCCGVYGJN-OAHLLOKOSA-N 374.419 4.115 0 40 FIAB Cc1nn([C@@H](C)CC(=O)N[C@@H](c2ccccc2)c2cccnc2)c(C)c1C 12148243 CLTZLUQOHRSHHK-NYHFZMIOSA-N 362.477 4.060 0 40 FIAB FC(F)(F)c1nnc2ccc(Nc3ccc(-c4nccs4)cc3)nn12 12633963 PSYYIEYPLKGJTQ-UHFFFAOYSA-N 362.340 4.010 0 40 FIAB COc1ccc(CN2CCCN(c3nc4ccccc4s3)CC2)cc1 12760501 OIIZQGFTYWRXTG-UHFFFAOYSA-N 353.491 4.017 0 40 FIAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccco1 12792865 GQPWFFGGAIQFBN-CQSZACIVSA-N 356.422 4.001 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(F)cc2)c1 12793294 VIRABUJRZBLLDM-UBIUBJKMSA-N 355.409 4.220 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C)cc1)O[C@H](C)C2 12811401 QAYZWAFBEKPOSY-CABCVRRESA-N 354.450 4.156 0 40 FIAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1-c1ccccc1 12895094 WMKDZRSBCHPZJS-UHFFFAOYSA-N 372.424 4.108 0 40 FIAB COC1(OC)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@]4(O)[C@@H]3CC[C@@]2(C)C1 13399794 XHSWJTDGBUQZOI-JCDBWPDUSA-N 364.526 4.092 0 40 FIAB C[C@H](O)CCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460235 YLEKEQNOOIMZQM-WMLDXEAASA-N 350.455 4.071 0 40 FIAB biogenic,in-vitro CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 13682840 HXARLSVIKYHEHU-UHFFFAOYSA-N 361.470 4.284 0 40 FIAB Cc1cc2c(nc1C)sc1c(=O)n(Cc3ccccc3Cl)cnc12 13691594 LSZIWRWJUMBEPL-UHFFFAOYSA-N 355.850 4.325 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710785 GCEWZBZSSKTXDX-QGZVFWFLSA-N 368.477 4.191 0 40 FIAB O=C(Nc1ccccc1I)c1cccc2ncccc12 14241577 FAOGDZJVCQNHPW-UHFFFAOYSA-N 374.181 4.092 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 14399247 ZJTUDPOYSGTNSG-UHFFFAOYSA-N 352.434 4.106 0 40 FIAB COCCCn1c(C)cc(C2=NN=C(Nc3ccccc3F)SC2)c1C 15403946 FOQKCGNQGBTBPM-UHFFFAOYSA-N 374.485 4.200 0 40 FIAB CCCc1cc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)sc1C 15998801 RLBZMDJKXYLHOO-UHFFFAOYSA-N 373.446 4.258 0 40 FIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 17304221 ROOBHLNXNTWONE-UHFFFAOYSA-N 352.394 4.162 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3n2)o1 17324698 CIPMAIHFQCWOEW-GASCZTMLSA-N 350.418 4.053 0 40 FIAB COC(=O)c1cccc(NC(=O)CSc2ccc3ccccc3c2)c1 18230085 YUHZIUAREQEULQ-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB CCc1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cn1 19523473 NNYLJVOJAMVVOP-LGGPRVQUSA-N 351.494 4.110 0 40 FIAB COc1ccc(CNC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1 24758089 AEIITFCSXZMUHY-DHZHZOJOSA-N 352.821 4.226 0 40 FIAB Cn1c(SCc2cccc(C(F)(F)F)c2)nc2ccsc2c1=O 26100400 QJIFTQHPBRJCGA-UHFFFAOYSA-N 356.394 4.306 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(NC(=O)C2CC2)c1 29170171 PIWAXRCBPHTIJC-YSGRDPCXSA-N 372.509 4.451 0 40 FIAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(-n2ccnc2)cc1 30855137 JCSAYLSVMSEMEB-UHFFFAOYSA-N 369.852 4.001 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)cc1 30866338 HAQSTJFBXIBHTC-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB Cc1ccc(Sc2ccc(NC(=O)CCn3cncn3)cc2)cc1C 31051101 PJLTWRXEZKHHRR-UHFFFAOYSA-N 352.463 4.075 0 40 FIAB CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)c1ccccc1Br 31811277 RASLSYPVLXICTH-LBPRGKRZSA-N 364.287 4.280 0 40 FIAB C[C@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(OCc2cccnc2)cc1 32356730 WTIJVPOIDWTJNC-MZEUMTGBSA-N 373.456 4.079 0 40 FIAB CCOc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1cccs1 32803362 LSJPQONBGMUUNY-SFHVURJKSA-N 367.474 4.131 0 40 FIAB COc1ccc([C@@H]2CCCN2[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 36413162 RSRKVJNOMGPRTD-QRWLVFNGSA-N 356.441 4.307 0 40 FIAB COc1ccc(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)cc1OC 36730669 CGTXLQDPCVARSA-UHFFFAOYSA-N 357.494 4.269 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(SCc3cccs3)s2)cc1 39981750 HINUJUBDOPAOIX-UHFFFAOYSA-N 361.517 4.382 0 40 FIAB Cc1nc2ccc(NCC(=O)Nc3ccccc3OC(F)F)cc2s1 39987726 UMSJWLHRWCAOLP-UHFFFAOYSA-N 363.389 4.257 0 40 FIAB COc1cccc2sc(NC(=O)c3ccc(-c4cnco4)cc3)nc12 47412613 RWSDJNQBAOOCFX-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB COCCCC(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 58263857 KWICLJDXNBFQNU-UHFFFAOYSA-N 368.315 4.237 0 40 FIAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215537 DKQLBFZOHKCLPW-SFHVURJKSA-N 373.497 4.449 0 40 FIAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccccn3)N1CC2 72342210 XDKQIQFOFMJEQJ-GOTSBHOMSA-N 373.456 4.171 0 40 FIAB COc1cccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)c1 72357682 UUOAMTFAKLIYOI-HSZRJFAPSA-N 359.473 4.413 0 40 FIAB CSc1ccc(N2Cc3cc(Br)ccc3OCC2=O)cc1 77100662 DFQHRYFSSICTNZ-UHFFFAOYSA-N 364.264 4.097 0 40 FIAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)C12CCCCC2 79489994 DSZDWMIWGYOESJ-LJQANCHMSA-N 356.510 4.254 0 40 FIAB Cc1cc(NC[C@H](c2ccc(F)cc2)N2CCOCC2)c2ccccc2n1 89583102 AIUPZBUCRZNWLO-JOCHJYFZSA-N 365.452 4.168 0 40 FIAB CC(C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 95442915 KUNXTMTVLBYPPV-QZTJIDSGSA-N 366.546 4.308 0 40 FIAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1scnc1C1CC1 95447521 VDNWASHKFMQFQZ-VIFPVBQESA-N 356.369 4.445 0 40 FIAB CCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1C 95945906 HLXWWJWRDQYDGR-UHFFFAOYSA-N 358.463 4.069 0 40 FIAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccc2c(c1)OCO2 96117340 HMENWYLMCIDLOH-OAHLLOKOSA-N 368.820 4.357 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102963201 SAGBPYVMMVLTFX-BYNQJWBRSA-N 352.272 4.012 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3C)CC2)s1 219302075 HACKHPLBAMLAOY-MRXNPFEDSA-N 367.561 4.234 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219306562 BCICXZVYQWHEAX-KXBFYZLASA-N 369.461 4.190 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCCCN1CCCc2ccccc21 222839210 KLJJBJYHVHACDU-UHFFFAOYSA-N 374.484 4.178 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(C)c(Cl)c2)cc1 224594350 HHAFYBSQGBAHLT-UHFFFAOYSA-N 353.871 4.262 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 224608491 KATUNZJFISYYQI-SFHVURJKSA-N 355.478 4.218 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 224767260 JTBCLWXXBGXKAG-LBPRGKRZSA-N 351.497 4.061 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C(C)C 225304209 LKYYIFHFVAKNBS-INIZCTEOSA-N 361.507 4.475 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(C)cc2)c1C 225388817 UAZLWEUDTYDDLC-UHFFFAOYSA-N 370.518 4.399 0 40 FIAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2ccc(Cl)cc21 225821638 IBNILXIZBZGDKH-UHFFFAOYSA-N 359.828 4.479 0 40 FIAB Fc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225832837 YHUMHSQYUVWAHW-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB COc1ccc(CN2C[C@@H]3C[C@H](c4cccs4)N4CCC[C@]34C2)cc1 247898696 POZRIAYNGJCFQS-DSKINZAPSA-N 354.519 4.168 0 40 FIAB Cc1ccc2c(c1)OC1(CCN(Cc3cncs3)CC1)[C@H]1CCCO[C@H]21 257220554 DLFCJAXIPLSCCQ-AZUAARDMSA-N 370.518 4.346 0 40 FIAB CC(C)n1nccc1-c1cccc(C2CCN(C(=O)C(C)(C)C)CC2)n1 257230455 GCLTZPKIXREOPT-UHFFFAOYSA-N 354.498 4.278 0 40 FIAB N#Cc1c[nH]ccc1=N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 547504446 VINWERHNVBIPHI-INIZCTEOSA-N 350.422 4.127 0 40 FIAB Cc1noc2ncnc(N3CCC[C@@]3(C)c3ccc(C(F)(F)F)cc3)c12 1187334600 ZYHNNEZYVMJBQG-KRWDZBQOSA-N 362.355 4.461 0 40 FIAB O=C(NC[C@@]1(O)CCCc2occc21)C1(c2ccc(Cl)cc2)CCCC1 1565522944 CRNIDKCKHUWWOD-NRFANRHFSA-N 373.880 4.085 0 40 FIAB Cc1c(Br)cccc1CCNCc1cccc(O)c1Cl 1658581123 DUQZFLWJJJDECE-UHFFFAOYSA-N 354.675 4.449 0 40 FIAB O=C(NC[C@@H]1C[C@@H]1c1cccc(F)c1)c1cc(-c2ccc(F)cc2)on1 1775977284 SMDGHEVKTIZGDD-WMLDXEAASA-N 354.356 4.153 0 40 FIAB COc1cc(-n2nnnc2-c2ccc(Cl)cc2)c(Cl)cc1Cl 1392292 QKROYJDAACJEID-UHFFFAOYSA-N 355.612 4.298 0 40 FIAB CCOC(=O)N(CCN(C(=O)OCC)c1ccccc1)c1ccccc1 1559902 YPTAHWFWDYVBRJ-UHFFFAOYSA-N 356.422 4.313 0 40 FIAB Cc1ccc(OCCSc2nnnn2-c2ccc(Cl)cc2C)cc1 2059121 AKHBZZVWKAESRQ-UHFFFAOYSA-N 360.870 4.104 0 40 FIAB Cc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 2502938 NWOMIQVILZXIQQ-NRFANRHFSA-N 364.470 4.310 0 40 FIAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1cccc(F)c1 2736746 IKENGMSUIJQZMK-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB COc1ccc(-c2cc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)no2)cc1 3907854 WUTOMWQZPOYRFL-BTYIYWSLSA-N 354.450 4.391 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)o1 4275998 GCGWCGYAAZVRMA-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB O=C(/C=C/c1ccccc1)NCCSc1ncc(-c2ccc(F)cc2)[nH]1 4315752 BEJURNUAJLDHKU-IZZDOVSWSA-N 367.449 4.138 0 40 FIAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc(NCc3ccco3)ncc21 4777129 MCZFJPKKHWRGIZ-ZDUSSCGKSA-N 353.809 4.248 0 40 FIAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 4816833 FQTYWHSZCZWEJE-MSOLQXFVSA-N 366.852 4.409 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 4965470 PQTUADFFJDVZOT-UHFFFAOYSA-N 357.841 4.223 0 40 FIAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(C(F)(F)F)ccc1Cl)[C@H]1C=C[C@@H]2C12CC2 5008712 JKXYAGKENRLCMT-DJBIQUGXSA-N 367.754 4.060 0 40 FIAB C[C@@H]1CCC2=NN(c3nc4ccccc4s3)[C@](O)(C(F)(F)F)[C@@H]2C1 5275007 BAGPJGSPOHTGMQ-IQMDTDKHSA-N 355.385 4.159 0 40 FIAB C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)c1c[nH]c2ccccc12 5309724 ZPWYDFMXAWZYIW-VIFPVBQESA-N 356.838 4.456 0 40 FIAB CSc1cccc(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)c1 5475430 LJQLQAKAKXUQBX-UHFFFAOYSA-N 355.459 4.083 0 40 FIAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCc2ccccc21 5628412 JTVFFTHXOBMOKX-CZUORRHYSA-N 351.475 4.237 0 40 FIAB O=C(COC(=O)c1cccs1)Nc1c(Cl)cccc1C(F)(F)F 5636351 AVSMZWZUHJYKHW-UHFFFAOYSA-N 363.744 4.216 0 40 FIAB CC(C)(C)c1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1 6123094 YUXLGGXQSJNNBR-UHFFFAOYSA-N 359.853 4.111 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC 6224720 SGGPCQWSRYAYMP-KBXCAEBGSA-N 356.422 4.188 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)c(Cl)c1 6501647 KFGPMHIYPNBFRK-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 6515849 QVJFZJIHQBWAKS-UHFFFAOYSA-N 359.853 4.362 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C)c2C)C(C)C)cc1 6648285 NEESXOMNGGPUPF-FQEVSTJZSA-N 368.477 4.095 0 40 FIAB O=C(C[C@H]1Sc2ccccc2NC1=O)c1ccc(Br)cc1 6890506 NCTOKRGIQIDKEM-OAHLLOKOSA-N 362.248 4.135 0 40 FIAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(F)cc1Cl 6942632 QWFWZEOSCAGOSA-UHFFFAOYSA-N 374.799 4.075 0 40 FIAB c1ccc(-n2ncc3c(OCc4nc5ccccc5s4)ncnc32)cc1 6946584 VOIUWOJVEZVIJO-UHFFFAOYSA-N 359.414 4.004 0 40 FIAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc(OC)c1O 7141462 QSTWQDLRUHPWOX-KPKJPENVSA-N 371.414 4.034 0 40 FIAB CC[C@@H](C)c1ccc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 7382557 PIXPCEYDVVEQPM-GFCCVEGCSA-N 354.475 4.471 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 7447671 MJOAFDAOKGIDNA-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB CCOc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1OCC 7960497 QWGLFBAVCXTGBK-UHFFFAOYSA-N 365.832 4.249 0 40 FIAB C[C@@H]1C[C@@H](Sc2ncnc3cc(-c4ccc(F)cc4)sc23)C(=O)O1 8156987 QUPCMNIAANPPNV-YMTOWFKASA-N 360.435 4.294 0 40 FIAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2Cl)cc1 8533697 JKEPZZYHNYQUCI-LBPRGKRZSA-N 367.276 4.461 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 8775495 FQXFQNARNGFESS-NSHDSACASA-N 368.487 4.168 0 40 FIAB COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3C2CCCCC2)cc1 9360619 XPRRZXPAJBVHAY-LJQANCHMSA-N 371.506 4.480 0 40 FIAB Cc1ccc(-c2csc3ncn(CCc4ccccn4)c(=O)c23)cc1C 10323651 MVUWCADUXRCVII-UHFFFAOYSA-N 361.470 4.380 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(SCc2cccnc2)cc1 11597066 SHQYXDYANYJPME-UHFFFAOYSA-N 350.443 4.391 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3c(F)cccc3F)ccc21 11612960 ICSOSVRXUWNMAH-UHFFFAOYSA-N 358.432 4.100 0 40 FIAB Cc1ccc(-c2cc(C(=O)OCc3cn4cc(Cl)ccc4n3)[nH]n2)cc1 12110678 KKOSFBNBDNDYAS-UHFFFAOYSA-N 366.808 4.043 0 40 FIAB CCn1c(CN2CCCCCC2=O)nnc1SC/C=C/c1ccccc1 12125082 MKQHRYNUOVBCLQ-FMIVXFBMSA-N 370.522 4.006 0 40 FIAB C[C@H](CC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 12602246 VEDLRBDBCUGPII-QRWLVFNGSA-N 367.880 4.473 0 40 FIAB O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)cc1F 12633451 VWCFJUPGEDQHGT-UHFFFAOYSA-N 363.230 4.441 0 40 FIAB CCCCNc1nnc(S[C@@H](C)C(=O)N(C)C2CCCCC2)s1 12982082 MLWHYZXAAUCBQP-LBPRGKRZSA-N 356.561 4.022 0 40 FIAB CCOc1ccc([C@@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132101 MPYRAQLPXCFEAV-IRXDYDNUSA-N 369.856 4.059 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)SCc1ccccc1 13667833 JOTUTFJSLSKWIR-QGZVFWFLSA-N 357.519 4.456 0 40 FIAB C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1 14260773 ZMFQDPITAGLCDZ-XJKSGUPXSA-N 356.853 4.108 0 40 FIAB COc1ccc(-c2nc(CNC(=O)Cc3ccc(Cl)cc3)cs2)cc1 15832760 NTGBEFIBLCWUSV-UHFFFAOYSA-N 372.877 4.331 0 40 FIAB Cc1ccc(CSCCNC(=S)Nc2ccc(F)cc2F)cc1 18145682 CUQFUWONTLCZSY-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@H]2CCCN2Cc2ccc(F)c(F)c2)c1C 19558078 ZYVFPLWIRDLHMM-QGZVFWFLSA-N 358.392 4.297 0 40 FIAB Cc1ccc(-n2cc(CN(Cc3ccccc3)C3CCN(C)CC3)cn2)cc1 19715471 KIXVEXBRQBNPJP-UHFFFAOYSA-N 374.532 4.277 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20104507 WHPNRFGIJWRSAZ-LJQANCHMSA-N 371.477 4.137 0 40 FIAB O=C(Nc1c(F)cc(F)cc1Br)c1noc2c1CCCCC2 20428760 LGDPKEVSTDJIST-UHFFFAOYSA-N 371.181 4.237 0 40 FIAB Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCCCC3)c(O)n2n1 23156917 CJCQSWIOOXJXCI-CQSZACIVSA-N 362.886 4.034 0 40 FIAB O=C(c1cc2c(s1)CCCC2)N1CCN(C/C=C/c2ccccc2)CC1 23718913 NDUIFRLAHAWMFK-RMKNXTFCSA-N 366.530 4.098 0 40 FIAB CC1CCN(CCCNc2nc(-c3ccncc3)nc3ccccc23)CC1 25165312 ZWYDBQSMHVYHQI-UHFFFAOYSA-N 361.493 4.226 0 40 FIAB O=S(=O)(Nc1cccc2nsnc12)c1ccc(-c2ccccc2)cc1 27794469 DUMLJEKXYYWHDG-UHFFFAOYSA-N 367.455 4.159 0 40 FIAB Cc1cccc(C)c1OCC(=O)NCCc1csc(-c2ccccc2)n1 27993635 BLUYMTZEGJKMLZ-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1 28343705 COEOWRGMSNAUAV-UHFFFAOYSA-N 373.481 4.441 0 40 FIAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1 29761885 SNOKUUWTDDSDEI-UHFFFAOYSA-N 370.518 4.253 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 30756324 BJLMUBABKIXWGA-FOIQADDNSA-N 357.450 4.129 0 40 FIAB CC(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 32664955 AADKAFKIVUASIG-HOTGVXAUSA-N 359.514 4.008 0 40 FIAB O=C(Cc1ccccc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 32901941 JMZMUAFIGQPZAY-UHFFFAOYSA-N 351.837 4.075 0 40 FIAB CSc1ccc(CN(C)C(=O)c2ccc(N3CCC(C)=N3)cc2)cc1 32926728 DUEVKXVMMFTWKN-UHFFFAOYSA-N 353.491 4.267 0 40 FIAB Cc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2C(C)(C)C)s1 36740433 IRDBOLWRSQMFIA-UHFFFAOYSA-N 371.554 4.366 0 40 FIAB O=c1cc(CSc2nc3ccccc3s2)nc2ccc(Cl)cn12 39982731 QMLAEQKVZZKJGZ-UHFFFAOYSA-N 359.863 4.250 0 40 FIAB COc1ccc(CN(C)C(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 40103510 YHVVVSOSUZBDRZ-UHFFFAOYSA-N 364.829 4.030 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc2c(c1)NC(=O)CS2 40142557 ZQHFOXQNYDHKFY-HNNXBMFYSA-N 370.474 4.076 0 40 FIAB Cc1cc(C)n2cc(COC(=O)c3ccc(-c4ccccc4)nc3C)nc2n1 57898953 HXLSPLOIPALMNF-UHFFFAOYSA-N 372.428 4.074 0 40 FIAB COc1ccc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1OC 58323553 KJZJBRMEWLYSHH-GOSISDBHSA-N 354.450 4.333 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N(Cc1ccco1)c1cccc(F)c1 58429916 OROHULGRYFOUAR-ACCUITESSA-N 357.406 4.426 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 58633374 URXWVWVPMJSAJD-BEWOIHDRSA-N 370.489 4.185 0 40 FIAB Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(F)ccc1F 60331527 TVFZQIYRRFKWLZ-UHFFFAOYSA-N 362.445 4.074 0 40 FIAB COc1c(C)cnc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 65276962 SXEAPPSMXQJKFA-UHFFFAOYSA-N 354.237 4.336 0 40 FIAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnc(-c2ccccc2)nc1 66913415 QUJXJNXCBJCVHO-UHFFFAOYSA-N 371.362 4.435 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 69872608 VMLUBRSFYVWTAX-HKUYNNGSSA-N 357.837 4.016 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c2ccccc12 71283000 UKDIVENHIQYWCR-OAHLLOKOSA-N 351.406 4.043 0 40 FIAB CCSc1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72217191 UEVFXENYBWXCCX-QGZVFWFLSA-N 362.520 4.028 0 40 FIAB O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357816 YUQCWQHXPKKULQ-NRFANRHFSA-N 361.420 4.184 0 40 FIAB COCCCN(Cc1ccccn1)Cc1c(C(C)C)[nH]c2ncccc12 72393725 YYIZJYCDYWPASL-UHFFFAOYSA-N 352.482 4.120 0 40 FIAB C[C@@](O)(CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1cccs1 75155907 YTOZGBYSQNDZNK-GOSISDBHSA-N 363.910 4.237 0 40 FIAB CS[C@@H]1CCC[C@@H](NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 83854310 MZOQUGZPPZSUKI-UYAOXDASSA-N 369.534 4.219 0 40 FIAB O=C(NCCc1ccc(O)cc1)Nc1ccc(Br)cc1Cl 84398104 JKTVLQVALFEVMG-UHFFFAOYSA-N 369.646 4.172 0 40 FIAB O=C(Nc1cccc2ccccc12)C(=O)N1CCC[C@@H]1c1cccc(F)c1 95367689 YOJCYBNRKQUHCK-HXUWFJFHSA-N 362.404 4.281 0 40 FIAB COCC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(C)o1 95465859 MYLQWMQCGCDXCH-LJQANCHMSA-N 354.450 4.286 0 40 FIAB COC1CCN(c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2)CC1 96104517 QYHIAIONHGBVAP-UHFFFAOYSA-N 373.884 4.277 0 40 FIAB COc1ccc(CC(=O)NCc2ccccc2-c2ccsc2)cc1OC 96122900 BAOFGXPDCREOGC-UHFFFAOYSA-N 367.470 4.291 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c(C)c1 100423629 IGFNRAFAQVZOFX-QZTJIDSGSA-N 369.534 4.378 0 40 FIAB O=C(C[C@@H]1OCCc2ccccc21)n1cccc/c1=N\C1CCCCC1 101141715 MXXYRTQHJHRJJC-SSRRSSPNSA-N 350.462 4.066 0 40 FIAB CCOc1ccc(N2C(=S)N[C@H]3c4ccccc4O[C@@]2(C)[C@@H]3C)cc1 101390423 SEKGAUKGAQZAPQ-YHBQJITHSA-N 354.475 4.266 0 40 FIAB COc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 102612269 PJKYTQJJUVENEU-BTYIYWSLSA-N 372.428 4.352 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1OCC 219587059 MUVABIFWEYGRQX-LJQANCHMSA-N 371.477 4.266 0 40 FIAB COc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219863266 BEKWORYSTVUYQN-QGZVFWFLSA-N 352.478 4.097 0 40 FIAB COC(=O)c1cn(C(=O)CCc2ccc(OC)c(C)c2)c2ccccc12 222646036 CXGGIKFWOQQFBE-UHFFFAOYSA-N 351.402 4.018 0 40 FIAB COc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c(OC)c1 225112287 LENRTDPGTFSZLV-IBGZPJMESA-N 358.434 4.076 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225618459 ZGAMDFUJBBDHKQ-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 225727430 OOIKLAGQEALCPD-ZIAGYGMSSA-N 373.488 4.360 0 40 FIAB Cc1ccc(CNC(=S)Nc2nc(C)cc(Oc3ccccc3)n2)cc1 225946134 FTSLGPKQFUUDQX-UHFFFAOYSA-N 364.474 4.372 0 40 FIAB Cc1cc(N)cc(Cl)c1NC(=O)Cc1ccc(Br)cc1 226755930 BJHMAUBAISZURP-UHFFFAOYSA-N 353.647 4.174 0 40 FIAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccccc1 408582446 ODXKLCZSMBXRQA-UHFFFAOYSA-N 369.490 4.268 0 40 FIAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1C 408674235 YOPUDNSETLAXJL-RTBURBONSA-N 374.440 4.011 0 40 FIAB Cc1nn(C(C)C)cc1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 585124243 OVSUHHUPFOKIIE-UHFFFAOYSA-N 362.836 4.019 0 40 FIAB C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCCN1C(=O)c1cscn1 618237458 BHNWIQAYOFYFSF-INIZCTEOSA-N 370.396 4.279 0 40 FIAB CN[C@@H](CC(C)C)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1 1218677850 SJLZVGRJBKZZNC-KRWDZBQOSA-N 356.514 4.051 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)N1CCC(Cc2ccncc2)CC1 1614973987 BNBZUNUTLPLTOR-UHFFFAOYSA-N 363.288 4.412 0 40 FIAB Fc1ccccc1-c1nn2c(CSCCc3ccccc3)nnc2s1 1772491195 HQBFJBLIQNNZNZ-UHFFFAOYSA-N 370.478 4.468 0 40 FIAB FC(F)(F)c1ccc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)nc1 1888843503 GCZDBZMOHALHIE-STQMWFEESA-N 356.779 4.323 0 40 FIAB CCOc1ccc(OCc2ccc(C(=O)OCc3ccccn3)o2)cc1 800749 VAMMELHNLPVAGZ-UHFFFAOYSA-N 353.374 4.009 0 40 FIAB CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)c1ccccc1 873959 YXUUUOFDMJIZJA-UHFFFAOYSA-N 370.453 4.024 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1 884376 SVRKUMUNVWPPJM-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB O=C(NCCOC(=O)Nc1cccc2ccccc12)OCc1ccccc1 1675923 ARIUNKXMVQELNL-UHFFFAOYSA-N 364.401 4.315 0 40 FIAB CCn1c(SCc2ccc(OC)cc2)nc2sc(C)c(C)c2c1=O 2399353 OHSYGWPUNTWQNU-UHFFFAOYSA-N 360.504 4.396 0 40 FIAB CC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2n(C)c1=O 2700689 MJOZLNURIZCXJE-UHFFFAOYSA-N 356.219 4.171 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 60158392 FEEPHGSIMNUMLU-UHFFFAOYSA-N 364.339 4.088 0 40 FIAB COc1cccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 3279628 PKRVGVYPMRQCSM-UHFFFAOYSA-N 350.345 4.285 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2-c2ccccc2)cc1 3410026 AJAZURHRYAGUPF-AWEZNQCLSA-N 367.474 4.338 0 40 FIAB CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c2ccccc12 7603724 IMXABFFLPBDKBM-YBEGLDIGSA-N 356.403 4.148 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSc1ccc(C)cc1 8478518 RDGRTYUERRYQHP-KRWDZBQOSA-N 359.491 4.070 0 40 FIAB CC[C@H](/N=c1/cc(-c2ccc(OC)cc2)oc2ccc(C)cc12)C(=O)O 102443403 ONIINDPDHIFBGG-CZEALIGGSA-N 351.402 4.181 0 40 FIAB O=C(O)c1nn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c1CCC2 22145324 GRJMSGVAHFGMNY-UHFFFAOYSA-N 364.245 4.097 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)C1(C)C 58413635 GEYYXHYCGBGAQJ-JQHSSLGASA-N 355.457 4.003 0 40 FIAB Cc1nc(-c2ccccc2)c(C(=O)NCc2ccccc2CN(C)C)s1 22695441 KRESTUKIFHYMCB-UHFFFAOYSA-N 365.502 4.110 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2csc(NCc3ccccc3OC)n2)c1C 7843258 BPCLMHMATVTIMZ-UHFFFAOYSA-N 371.462 4.162 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@H](c2ccccc2)C(C)C)cc1 23074948 YYWCSZFRTMIMBU-GGAORHGYSA-N 366.505 4.346 0 40 FIAB COc1ccc(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 59851975 ATYKPJUOCYBSNW-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB Cc1nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c(=S)n1C1CC1 47996167 SRKOQKUHVAKCPE-AWEZNQCLSA-N 369.494 4.036 0 40 FIAB CCOc1ccc2nc(SCC(=O)N3CCC(C)CC3)sc2c1 3238475 ZDRLGZYUJXEDSH-UHFFFAOYSA-N 350.509 4.046 0 40 FIAB C[C@H]1C[C@H](C)CN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)C1 3230798 BOIRPHWCNBBKHF-IRXDYDNUSA-N 360.457 4.294 0 40 FIAB O=C(/C=C/c1ccccn1)N(Cc1ccccn1)c1ccc(F)cc1F 89883701 NFQSZINURMMKFY-CSKARUKUSA-N 351.356 4.001 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc(F)cc1F 57315481 PXFXMWZVYMNUQS-LLVKDONJSA-N 368.811 4.225 0 40 FIAB O=C(CCCOC(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1 3269528 ZLKIPHVVDAEZCD-UHFFFAOYSA-N 352.308 4.247 0 40 FIAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3cccc(F)c3)ccc12 2094396 VBMVLYJVXSFEBS-UHFFFAOYSA-N 370.376 4.145 0 40 FIAB biogenic CC(C)Oc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2111638 GLWOZKTWSYZMCO-ZVQQDINOSA-N 362.473 4.111 0 40 FIAB biogenic CC[C@]1(C)Cc2c(sc3nc(SC)n(-c4ccccc4)c(=O)c23)CO1 2250785 SKFGTNGWPOHHTA-LJQANCHMSA-N 372.515 4.411 0 40 FIAB Cc1cc(-c2csc(CC(=O)NCc3ccco3)n2)c(C)c(C)c1C 12794452 CGTLRBGRCOSPNN-UHFFFAOYSA-N 354.475 4.496 0 40 FIAB O=C(Nc1ccc(F)cc1Cl)c1nn(-c2ccccc2)c2c1CCC2 12760125 AUQIZLINHBHLNZ-UHFFFAOYSA-N 355.800 4.406 0 40 FIAB C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1 2368384 ZGLVSRPBNKCRHR-QGZVFWFLSA-N 350.201 4.104 0 40 FIAB CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 28411336 GPJYGZUBVNPOAA-INIZCTEOSA-N 364.445 4.065 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2sc(-c3ccccn3)nc2C)cc1 10978704 ZDGBAHVBTPYEIP-CYBMUJFWSA-N 367.474 4.403 0 40 FIAB CCCC(=O)Nc1cccc(CNC(=O)CCn2ccc3ccccc32)c1 48364020 CXOCEDAFGWAHDO-UHFFFAOYSA-N 363.461 4.086 0 40 FIAB O=C(c1cc2c(s1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 8071406 NQKAVZUCQBXMQG-UHFFFAOYSA-N 352.459 4.398 0 40 FIAB COc1ccc(Nc2ccccc2C(=O)Nc2nnc(C3CC3)s2)cc1 48332624 JVBHYRAQPURVHQ-UHFFFAOYSA-N 366.446 4.420 0 40 FIAB O[C@@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccc(F)cc1 8643195 KEXQVBSAXDPVPD-NRFANRHFSA-N 362.404 4.336 0 40 FIAB CC(C)Oc1ccc(CNC2CCN(C(=O)c3ccccc3F)CC2)cc1 48712600 UEWCKIUAEYLLID-UHFFFAOYSA-N 370.468 4.007 0 40 FIAB CCc1s/c(=N\C(=O)c2ccccc2)n(C)c1-c1ccc(OC)cc1 409193845 FXQGCXRNHQRDDS-MRCUWXFGSA-N 352.459 4.066 0 40 FIAB COc1cc(NC(=O)c2sccc2C(C)C)ccc1N1CCCC1=O 64706249 RBHZCEFSRJEPMM-UHFFFAOYSA-N 358.463 4.259 0 40 FIAB CCCSc1nc(NCCOC)c2c3c(sc2n1)COC(C)(C)C3 5071943 HUTWJPKIOHHDSV-UHFFFAOYSA-N 367.540 4.103 0 40 FIAB Cc1sc2nc([C@H](C)N(C)Cc3ccccc3Cl)[nH]c(=O)c2c1C 14084709 YVEKGNVDMSSLQX-NSHDSACASA-N 361.898 4.448 0 40 FIAB Cc1ccc(C(=O)Nc2cccc([C@@H]3NC(=O)c4ccccc4N3)c2)cc1 14095081 SGTDAXZCDCGYGM-FQEVSTJZSA-N 357.413 4.101 0 40 FIAB COc1ccc2ccc(O[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)cc2c1 5365522 MJLKGSVADPDLSW-OAHLLOKOSA-N 363.413 4.457 0 40 FIAB Cc1ccc(NC(=O)[C@H](Sc2nnnn2C(C)C)c2ccccc2)cc1 14241140 QACLRVLKWYGBOP-QGZVFWFLSA-N 367.478 4.035 0 40 FIAB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(Cl)cn1 5533545 ZCHKXTVNQGQNGO-MRVPVSSYSA-N 373.623 4.226 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)NCc2nccc3ccccc23)cc1 8710792 DEKMDZMJGHGKPA-UHFFFAOYSA-N 354.475 4.011 0 40 FIAB C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CCCC1 6785138 JJRSYKMDJBHTPT-OAHLLOKOSA-N 353.418 4.083 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)cc1 7094434 BDSJILXQAIPAEW-UHFFFAOYSA-N 370.518 4.349 0 40 FIAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)C12CCCCC2 71285233 PQCCFCTUQIKRFY-HNAYVOBHSA-N 354.494 4.006 0 40 FIAB CC(C)[C@@H]1C[C@@](CC(=O)NCc2cccnc2)(Cc2ccccc2)CCO1 9423754 ZLVSCYXXHREPGG-GMAHTHKFSA-N 366.505 4.152 0 40 FIAB Cc1ccc(-n2c(SCC(=O)NC3CC3)nc3ccccc32)c(C)c1 84142273 VWYKMCZBJHKMDV-UHFFFAOYSA-N 351.475 4.013 0 40 FIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1Cc2ccccc2S1 21436838 ZUJDCNAMOBGNBJ-MRXNPFEDSA-N 366.408 4.427 0 40 FIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 72328939 JGAKACWWANUURP-UHFFFAOYSA-N 359.351 4.334 0 40 FIAB O=C(N[C@H]1CCSc2ccc(F)cc21)N(Cc1ccccn1)C1CC1 72483090 YYJMMGRNAHQMCR-KRWDZBQOSA-N 357.454 4.132 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1C[C@H]1c1ccccc1F 95347431 NYXCCWCJDBZEPG-QWHCGFSZSA-N 361.800 4.383 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1 98212716 AKICJPHZYHNBKW-UHFFFAOYSA-N 361.417 4.065 0 40 FIAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)c1ccccc1 20975448 BRAIMUPBJKHGKT-UHFFFAOYSA-N 359.838 4.012 0 40 FIAB Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)CCc2ccco2)c1 89669141 BWRGMUSZHJFZEE-QFIPXVFZSA-N 363.457 4.283 0 40 FIAB CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccc(F)cc1Cl 216836036 ZOFLHHSQCPQYGZ-UHFFFAOYSA-N 358.196 4.209 0 40 FIAB Cc1ccnc(SCC(=O)Nc2ccccc2Oc2ccccc2)n1 35290938 WFCAIYSAXLPENR-UHFFFAOYSA-N 351.431 4.308 0 40 FIAB O=C(NCc1cc(-c2ccco2)on1)C1c2ccccc2Oc2ccccc21 35589933 BIEKGLMKCRCITK-UHFFFAOYSA-N 372.380 4.489 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 36365521 BHZLFJDESCNTFH-RMKNXTFCSA-N 357.369 4.247 0 40 FIAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39761026 JVWGHQYTIDSNTG-GOSISDBHSA-N 366.505 4.093 0 40 FIAB O=C(/C=C/c1ccco1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62130125 GTVOGVICCVEWFL-CMDGGOBGSA-N 361.445 4.095 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCc2ccccc21 219293913 ULIPLWAKSMPRFB-INIZCTEOSA-N 372.896 4.066 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)N(Cc3ccsc3)C3CC3)c2O1 49521857 BIOZFYRWEJIJKV-UHFFFAOYSA-N 357.475 4.032 0 40 FIAB COc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1C 223779241 KIXIGABMHFMHKF-UHFFFAOYSA-N 363.910 4.249 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)c1C 225514879 KRMVULFMZFMUCR-HNNXBMFYSA-N 370.518 4.479 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(OC)c(OC)c1 225719762 QDZMBKIIQJJRPN-OAHLLOKOSA-N 366.433 4.420 0 40 FIAB COc1cc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc(OC)c1 199710736 FKQRSQVCCHXTBB-UHFFFAOYSA-N 358.438 4.349 0 40 FIAB COc1ccc(-c2ncc(C(=O)Nc3cccc(Cl)c3)c(C)n2)cc1 223140558 UFXNKDBFHLFGTQ-UHFFFAOYSA-N 353.809 4.366 0 40 FIAB Cc1cc(NC(=S)NC2(C3CC3)CCCC2)ccc1N1CCCC1=O 225869767 HCTIUJGHLYVBLP-UHFFFAOYSA-N 357.523 4.131 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 222734689 OWMDBZLCJPRONX-HNAYVOBHSA-N 369.461 4.055 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)[nH]1 223371847 NYTVJLFFJMCZRZ-VQTJNVASSA-N 362.502 4.199 0 40 FIAB CCOc1ccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 225274613 XKPARMNROWVDEO-UHFFFAOYSA-N 357.431 4.048 0 40 FIAB CC(C)OCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225374912 QXARNZIGYMPGSL-UHFFFAOYSA-N 354.825 4.460 0 40 FIAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1 225782947 CTLQDBGBPMSACZ-GFCCVEGCSA-N 354.397 4.459 0 40 FIAB CN(C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 225904771 UBXGEPXOEDKQQA-INIZCTEOSA-N 360.860 4.354 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 44365698 MMPLBNMUIJEHJF-INIZCTEOSA-N 368.502 4.183 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 223233269 FIMXIJFJDBFBPX-QGZVFWFLSA-N 368.496 4.478 0 40 FIAB O=C(COc1cccc2c1CCCC2)Nc1ccc(OC(F)(F)F)cc1 224894299 CSHOGCHVQDCYDJ-UHFFFAOYSA-N 365.351 4.482 0 40 FIAB CC(=O)Nc1c(C)ccc(NC(=O)c2cc(O)c3ccsc3c2)c1C 1585433411 CVZOWBODFZBEDV-UHFFFAOYSA-N 354.431 4.434 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)c(C)c2)c1C 225706758 SMBWNBHKTDYXDM-OAHLLOKOSA-N 356.491 4.446 0 40 FIAB CCc1ccc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 95116399 PKNNZSCYVRZGEO-UHFFFAOYSA-N 368.462 4.366 0 40 FIAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257221626 DPXHIMOLYVZCIY-UTOHAZMKSA-N 359.510 4.173 0 40 FIAB CN(Cc1nc(-c2cc(Cl)c3c(c2)OCCCO3)no1)c1ccccc1 680664096 OWGHRVZIUTXDGI-UHFFFAOYSA-N 371.824 4.188 0 40 FIAB Cc1cccc(Oc2cccc(NC(=O)N[C@H]3CCc4n[nH]cc4C3)c2)c1 1311142160 ZXAUYSHSMJZUEG-KRWDZBQOSA-N 362.433 4.189 0 40 FIAB CCOc1ccccc1C(=O)NCc1ccc(C(=O)c2ccccc2)s1 96119865 AGKSWMXTXUKOHQ-UHFFFAOYSA-N 365.454 4.308 0 40 FIAB COc1ccc(-c2cccc([C@H]3C[C@@H](NC(C)=O)[C@@H]4CCC[C@H]4O3)c2)cc1 585261181 KOLKAEYGNJBJKG-WBADGQHESA-N 365.473 4.497 0 40 FIAB CCC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585263053 XLNBCMPKVXTGMU-CQSZACIVSA-N 368.868 4.166 0 40 FIAB C/C=C/c1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccsc2)c(OC)c1 46089141 WSVMONBHLQEVIE-BWTKPXILSA-N 373.518 4.367 0 40 FIAB COc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccncc3)=NN2)cc1 5447892 KQSWKDJEWHEICD-UHFFFAOYSA-N 362.820 4.178 0 40 FIAB COc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 12774302 PHFKFPVEEZQUAD-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccccc3)C2)no1 19371972 YOQUVFHGMHDYHY-SFHVURJKSA-N 367.493 4.117 0 40 FIAB CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 5260636 ZOIUUCNFVDJSJK-IQWPGVQXSA-N 374.569 4.039 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C)s1 12482292 QUVBVAVOFYIUTA-UHFFFAOYSA-N 371.289 4.464 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Cl)cc3)cc21 8959426 PAKLBEBLMADLTO-UHFFFAOYSA-N 372.852 4.364 0 40 FIAB COc1cccc2cc(-c3nnc(NC(=O)c4c(F)cccc4F)o3)oc12 9167271 CTAQQVKKEGHSLO-UHFFFAOYSA-N 371.299 4.022 0 40 FIAB O=C(/C=C/c1ccccc1)N(CCn1cccn1)c1nc2ccccc2s1 23144660 FVCCOUYDEVLNBR-VAWYXSNFSA-N 374.469 4.239 0 40 FIAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC(C)CC3)c(O)n2n1 22853334 VUKTUTGNUMRULO-QGZVFWFLSA-N 370.522 4.189 0 40 FIAB O=C(Nc1cccs1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165913 BNHJKWNVAUOELG-LSDHHAIUSA-N 359.451 4.430 0 40 FIAB O=C(NCc1cccs1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200239 IQFITEUTIVLWPL-JKSUJKDBSA-N 373.478 4.107 0 40 FIAB O=C1NC(=O)c2ccccc2/C1=C\c1ccc(-c2nc3ccccc3s2)o1 30058211 OKGIIYLGWDVFLC-RVDMUPIBSA-N 372.405 4.367 0 40 FIAB COc1ccccc1NC(=O)c1sc2nc(C)c3c(c2c1N)CCCC3 1472259 ZOXNZBRTRIQFMN-UHFFFAOYSA-N 367.474 4.327 0 40 FIAB CCc1ccc(-c2nc3c4cnn(-c5cccc(Cl)c5)c4ncn3n2)cc1 2227314 RXHCKYYTDAILEG-UHFFFAOYSA-N 374.835 4.346 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(F)cc1Cl 3231667 NOCGDRROJHMXET-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 3414499 STSKJSRRWHKBFH-JLHYYAGUSA-N 353.462 4.499 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1 3459110 VBOOXNCXYUKBGA-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(Br)s1 4138508 OIQMPHUHNDSZTC-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB COc1cccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 4704001 CALFEHVFQSIIDG-UHFFFAOYSA-N 358.507 4.115 0 40 FIAB CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)NC2CCCCC2)cc1 5256199 JWISVTLGHJVIHP-OAQYLSRUSA-N 367.493 4.334 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccc2c(c1)OCO2 5701465 RBHJPAGAWWOGQI-GOSISDBHSA-N 350.399 4.248 0 40 FIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 6394903 FIMGWBNPRDSFGN-JAORQVBISA-N 363.486 4.340 0 40 FIAB O=C(/C=C\c1ccc(Cl)cc1)NC(=S)NC12CC3CC(CC(C3)C1)C2 6888979 BMUIULJKZCLAGT-UTCJRWHESA-N 374.937 4.313 0 40 FIAB O=C(COc1ccccc1Cc1ccccc1)Nc1nnc(C2CC2)s1 7007524 OZKOSFPXCJFJBO-UHFFFAOYSA-N 365.458 4.024 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)ccc1Cl 7108645 XNEWMQKJPUOSJD-NSHDSACASA-N 364.228 4.128 0 40 FIAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccc(F)cc1 7606851 SWKDYOUCWAHUAF-UHFFFAOYSA-N 367.351 4.213 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccccc3F)cc12 7979225 JMGUTFKMQYZNMU-UHFFFAOYSA-N 365.433 4.465 0 40 FIAB CCc1ccccc1Nc1nnc(S[C@@H](C(N)=O)c2ccccc2)s1 8710959 SOEOJABCMVLZIW-OAHLLOKOSA-N 370.503 4.163 0 40 FIAB CCc1cccc(CC)c1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 8753266 WHMZNBPSJQOTCD-FQEVSTJZSA-N 368.477 4.026 0 40 FIAB O=C1OCC[C@H]1Sc1nc(Nc2ccccc2Cl)c2ccccc2n1 9515578 XLJWDUVBQLKOKY-OAHLLOKOSA-N 371.849 4.434 0 40 FIAB CC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C(=O)NC)CC2)C(C)C)cc1 9795209 TWYVHEPPFUUAPY-OXJNMPFZSA-N 373.541 4.065 0 40 FIAB Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1 10260882 ZXBFRAKUVGEKCA-KRWDZBQOSA-N 354.841 4.293 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)c1 12543761 RUBYMPXVNLYHRS-GFCCVEGCSA-N 368.487 4.372 0 40 FIAB Cc1ccc2[nH]c(SCC(=O)Nc3ncc(Cl)cc3Cl)nc2c1 12620729 SKQYNRVJULNUQK-UHFFFAOYSA-N 367.261 4.304 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)c(OC)c1 12782475 SIAJPZFTYQMRGQ-UFUQCMIWSA-N 355.409 4.220 0 40 FIAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1cc(Cl)cc(Cl)c1 13083469 PASNORQUDKUONR-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNCc1cnn(-c2ccccc2)c1 15582269 LSASZFFEBIUGBC-UHFFFAOYSA-N 371.488 4.024 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3ccccc3C)cs2)cc1 15832492 ORMOBMRQCWUPSD-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB COc1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cn1 19941856 BNTVUWNEKRVXME-UHFFFAOYSA-N 359.476 4.155 0 40 FIAB Clc1ccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)cc1 20393690 OPGWQFIGUMSAPK-OAHLLOKOSA-N 364.836 4.479 0 40 FIAB Cc1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20456043 HJOFZRJYDBORBB-UHFFFAOYSA-N 356.469 4.488 0 40 FIAB COc1ccc([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 20490633 JAJAVSPLBOMOIZ-NSHDSACASA-N 374.289 4.183 0 40 FIAB CC(=O)c1cnc2sc(C(=O)NCc3ccc(C)c(F)c3)c(C)c2c1 23187756 YKJTUASRZYXMEB-UHFFFAOYSA-N 356.422 4.185 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(CN2CCCC2)cc1 24114823 IYOVWTPMRZWWGE-QGZVFWFLSA-N 354.519 4.079 0 40 FIAB CCCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 24749809 FXDHDRBGAQVXOK-GOSISDBHSA-N 352.482 4.064 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccccc3)ns2)c1C 27662168 AJOVFXZKNCGAJP-CQSZACIVSA-N 353.447 4.228 0 40 FIAB CCCCOc1c(Cl)cc(C(=O)Nc2nonc2CC)cc1Cl 27663382 SFMJPMKVUXMPRX-UHFFFAOYSA-N 358.225 4.370 0 40 FIAB COc1ccc(CC(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cc1 28220888 CAPFJBQRYCBFDO-UHFFFAOYSA-N 371.440 4.274 0 40 FIAB CCCc1nnc(NC(=O)c2cc3cc(Br)ccc3o2)s1 28250230 GRWNJHXTLMBZMG-UHFFFAOYSA-N 366.240 4.252 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(OCc3cccnc3)cc2)N1C1CC1 28922964 GHKRLCCWXAXIMR-JOCHJYFZSA-N 371.440 4.390 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1 31699331 KGSRPURLXWKTCD-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB O=C(OCCOc1ccccc1F)c1cccnc1Oc1ccccc1 32666169 ZMMVTGUQOARIIF-UHFFFAOYSA-N 353.349 4.249 0 40 FIAB CCCCCOc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 32766801 KRKCDZXCBOWFKX-UHFFFAOYSA-N 367.445 4.002 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/C(=O)N(C)C1CCCCC1 32801844 NHQWXORGCSSAHD-VAWYXSNFSA-N 368.930 4.097 0 40 FIAB O=C(NCc1ccc(F)cc1F)c1sc2ncccc2c1-n1cccc1 33297995 GNQCYIIDJNDQLA-UHFFFAOYSA-N 369.396 4.295 0 40 FIAB COc1ccccc1OCc1nnc(SCc2ccc(C)cc2)n1C 33648544 URKVMGKSGUQWFR-UHFFFAOYSA-N 355.463 4.003 0 40 FIAB CC(C)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 35684107 MPQYXTSROHKZEX-UHFFFAOYSA-N 368.824 4.012 0 40 FIAB C[C@@H](OCc1ccccc1)C(=O)NCc1ccnc(Oc2ccccc2)c1 40107793 MZIPXYKLCMNCPS-QGZVFWFLSA-N 362.429 4.095 0 40 FIAB CC(=O)Nc1ccc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1Cl 45987483 FBNNTMWQYTYMLK-SJCJKPOMSA-N 367.877 4.015 0 40 FIAB CC(C)c1ccc(C(=O)Nc2nc3ccc(-n4cnnc4)cc3s2)cc1 57340570 MCMSGIWVFOJACA-UHFFFAOYSA-N 363.446 4.253 0 40 FIAB CCCc1nc(C)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)s1 58402439 NVTMKAGOZBMDRP-UHFFFAOYSA-N 354.435 4.239 0 40 FIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(F)cc2[nH]cnc12 65880343 UINCLSAYRIVYPV-UHFFFAOYSA-N 374.419 4.248 0 40 FIAB O=C(NCCc1nccs1)c1cc2cc(C(F)(F)F)ccc2s1 72406025 AHSCSMAXQKNSLT-UHFFFAOYSA-N 356.394 4.349 0 40 FIAB Cc1cc(CN(C)C)cc(NC(=O)Cc2nc(-c3cccs3)oc2C)c1 89585396 KVUJUWUZZUDQGV-UHFFFAOYSA-N 369.490 4.263 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCc2sc(-c3cccs3)nc2C)c1 90592672 SZBHYASLDMWMCF-UHFFFAOYSA-N 372.515 4.492 0 40 FIAB CC(C)Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](O)C(C)C)cc1 95444501 RBPFMFUMYSODKC-FQEVSTJZSA-N 361.507 4.375 0 40 FIAB Cc1cnc([C@H](C)CNC(=O)CCc2ccccc2OC(F)(F)F)s1 96014061 DNDDZRNEQAANHD-LLVKDONJSA-N 372.412 4.203 0 40 FIAB COc1cccc(N[C@@H]2COC3(CCN(Cc4ccc(C)s4)CC3)C2)c1 96221395 CYKACSFSFLTNRA-SFHVURJKSA-N 372.534 4.301 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102123959 TXZJCTHXXPCYDM-GUIRCDHDSA-N 374.550 4.373 0 40 FIAB O=C(O)[C@@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 108654948 OUSSJHVPDFGCHC-WOJBJXKFSA-N 351.446 4.106 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCN(C)c1ccccc1 219347037 QTQMMPDGOSEDII-QFIPXVFZSA-N 362.473 4.250 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC1CCCC1 222726940 YMVQNDTVMSUPLM-OAQYLSRUSA-N 359.510 4.188 0 40 FIAB Cc1c(Br)cnc(NC(=S)NC2CCCCC2)c1Cl 224037476 NRAWGNVZSJARAL-UHFFFAOYSA-N 362.724 4.425 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(CN2CCCC2)c1 224623828 UVCJKRJZCJTMKE-OAQYLSRUSA-N 366.505 4.065 0 40 FIAB CCN(c1ccccc1Br)S(=O)(=O)c1ccc(Cl)cc1 224705863 JULCIPWRWDEEAO-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB CCN(C(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O)C1CCCCC1 225433178 ZWVGWAHWVVSQQI-ZDUSSCGKSA-N 360.429 4.329 0 40 FIAB biogenic,in-vitro COc1ccccc1OC[C@H](C)NC(=S)Nc1ccccc1Cl 225785327 AIKSRHDUBICTQA-LBPRGKRZSA-N 350.871 4.103 0 40 FIAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2ccccc2Cl)c1 225815357 OKERSNLULPYCHZ-UHFFFAOYSA-N 351.899 4.084 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)c(OC)c1OC 409410985 BVOLTKJUBRMETJ-CSKARUKUSA-N 355.434 4.290 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)C2CC(F)(F)C2)CN1c1cccc(F)c1 2037988684 DKMTZJUUCFPRKV-IBGZPJMESA-N 366.427 4.221 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)o1 863684 ACCCWXTXQSZJLF-UHFFFAOYSA-N 369.446 4.044 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1C1CCCCC1 900820 SYSLHPQJTGLSJB-CQSZACIVSA-N 358.511 4.465 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCS2)c2cccc(C)c2C)c(F)c1 1050073 INGKRRQTDMLAQL-UHFFFAOYSA-N 372.465 4.243 0 40 FIAB CCOc1cccc2cc(-c3nnc(-c4cccc(F)c4)o3)c(=O)oc12 1507399 CMCJJXIRJPXVLM-UHFFFAOYSA-N 352.321 4.048 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 1518391 XRWUFOUDVJOIJD-UHFFFAOYSA-N 366.442 4.178 0 40 FIAB CCc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 1934163 GONLACOBASGTGY-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1ccc2nc(COc3cccc(Oc4ccccc4)c3)cc(=O)n2c1 2664171 LZEPUMWCUJHLOB-UHFFFAOYSA-N 358.397 4.374 0 40 FIAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)nc(C)c1C 3417003 VBKDSHGKIZCXRB-UHFFFAOYSA-N 355.385 4.151 0 40 FIAB Cc1ccc([C@H]2c3cccn3CCN2C(=S)NCc2ccccc2)cc1 4088161 IVAFMTSXGJEVSA-NRFANRHFSA-N 361.514 4.276 0 40 FIAB CCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc21 4289574 OGCZKRTZGUJQFS-AWEZNQCLSA-N 351.475 4.126 0 40 FIAB CCOc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1 4406972 PILTZMZZQAXEDI-UHFFFAOYSA-N 361.854 4.346 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccccc1 4816831 COCVLHXZMBTEAY-ROUUACIJSA-N 352.825 4.019 0 40 FIAB O=C(NC1CCCCCC1)/C(=C\c1cccs1)NC(=O)c1ccccc1 4893670 BVNZHKPFHKZIJR-XDJHFCHBSA-N 368.502 4.358 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 4943199 CBQHVTPLTANXNO-UHFFFAOYSA-N 362.260 4.370 0 40 FIAB CC[C@H](C(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)ccc12)c1ccccc1 5047388 QOEZSSAIMCHGPO-HNNXBMFYSA-N 366.417 4.095 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5151179 WVABFNXIPMDRAJ-JAXLGGSGSA-N 371.427 4.473 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nccn1-c1cccc(F)c1 5263388 HXOGLFXWPNMBHP-AWEZNQCLSA-N 367.449 4.081 0 40 FIAB Cc1c(C(=O)OCC(=O)N(C)Cc2ccc(Cl)cc2)oc2ccccc12 5310949 LMCCSKOSXTUVRA-UHFFFAOYSA-N 371.820 4.210 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CSc1ccc2ccccc2c1 5780283 BRMPGCFNRZMBOL-DNVCBOLYSA-N 371.502 4.170 0 40 FIAB Nc1cc(Br)ccc1NC(=O)c1ccc(Br)cc1 5898977 LNSGFHOXFSSGQF-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C)cc1C)C(C)C 6778731 XCFBLIJMNRDQBS-FQEVSTJZSA-N 368.477 4.095 0 40 FIAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)NC(c1ccccc1)c1ccccc1 7221251 PKBFTIAABIDLBP-INIZCTEOSA-N 374.440 4.122 0 40 FIAB C[C@@H](NS(=O)(=O)c1cccc(Br)c1)c1ccccc1Cl 7305145 FVIDTUJXMJKSEJ-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c(C)c1 7666896 UDPYUQHEPQBBEJ-UHFFFAOYSA-N 367.836 4.063 0 40 FIAB COc1ccc(CCn2c(C)cc(-c3csc(N)n3)c2C)cc1OC 7763042 WXFRXCSVLUCLAM-UHFFFAOYSA-N 357.479 4.071 0 40 FIAB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccccc1 7785416 YTOIOSIXFIFFNF-UHFFFAOYSA-N 373.456 4.009 0 40 FIAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7929297 IWAMTXKMUJAFDN-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cn1 8018992 KNJNTOZPQGVFKG-UHFFFAOYSA-N 364.430 4.051 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8038080 GEZFOCOMVYNKBM-UHFFFAOYSA-N 369.417 4.144 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1OC 9112123 RAJWRHDRJTXKBH-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB CCOc1ccc(Cc2c(O)nc(SCc3ccccc3)nc2O)cc1 9360021 IJCVNMBTGYAPHV-UHFFFAOYSA-N 368.458 4.170 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 11211939 XKELWARUHNJMIY-QGZVFWFLSA-N 360.251 4.339 0 40 FIAB C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1nc(-c2ccccc2)cs1 11892485 CWIIQBOQNYFWIE-GFCCVEGCSA-N 370.503 4.461 0 40 FIAB CCC[C@H]1c2cccn2CCN1C(=O)c1cc(=O)c2cc(C)c(C)cc2o1 12206488 ZKPDVMVKPFVECY-SFHVURJKSA-N 364.445 4.209 0 40 FIAB C[C@@H](c1ccccc1)N1CNC(=S)N(c2cccc(C(F)(F)F)c2)C1 12401910 YETOYVBCIWJMKQ-ZDUSSCGKSA-N 365.424 4.378 0 40 FIAB CCOc1ccccc1-c1noc(CSc2ccccc2C(=O)O)n1 12812176 BCZFRGNEEYKEQC-UHFFFAOYSA-N 356.403 4.126 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1)O[C@@H](C)C2 12994007 YYYRNOJMZCBWJL-LBPRGKRZSA-N 361.825 4.080 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccccc2Br)s1 13004175 WRKLXTVYYYBVTO-SKDRFNHKSA-N 351.269 4.091 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CCCc2ccccc21 13669857 VCRSRHQBUOJKDG-UHFFFAOYSA-N 356.274 4.276 0 40 FIAB COc1ccc2nc(-c3cccc(NC(=O)Nc4ccc(C)cc4)c3)cn2n1 13709885 KNDTXNKNGFAFNP-UHFFFAOYSA-N 373.416 4.357 0 40 FIAB O=C1c2ccccc2[C@@H](NCc2ccc(F)cc2)N1Cc1ccc(F)cc1 13895392 ZVOPMYIVMROSIG-NRFANRHFSA-N 364.395 4.409 0 40 FIAB CCCCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2 13945494 PBQDEAOUAVLWGK-UHFFFAOYSA-N 373.836 4.471 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(C(F)(F)F)c1 14806787 PXFKJALIJOQMIY-NSHDSACASA-N 366.339 4.070 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cc2c(s1)CCCC2 15906437 BHGQQHLLQVUZDL-PKOBYXMFSA-N 366.530 4.383 0 40 FIAB Cc1cccc(NC(=O)CN(C)Cc2ccccc2Br)c1C 16562744 PAEXVGSKMKFWDU-UHFFFAOYSA-N 361.283 4.136 0 40 FIAB CCOC(=O)c1c(C)n(CCOc2ccccc2F)c2ccc(O)cc12 16683037 KWXCXXCFLOQPSC-UHFFFAOYSA-N 357.381 4.050 0 40 FIAB COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccccc1 22075162 JYDRBZVXKGZYLB-OAQYLSRUSA-N 363.457 4.097 0 40 FIAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2ccc(F)cc2F)c(C)c1 22762593 LIOLQSYDCGRCHV-GFCCVEGCSA-N 364.417 4.411 0 40 FIAB CN(C)c1ccc(CCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 23001796 RNOUYZLVSXCIKS-UHFFFAOYSA-N 350.384 4.134 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1)c1ccco1 23018467 DTGCCZAFVJUARN-ROUUACIJSA-N 364.376 4.413 0 40 FIAB COc1ccc(C(=O)CN(C2=NC(C)(C)CS2)c2ccccc2)cc1 27525228 GFGREBOAHFPFDS-UHFFFAOYSA-N 354.475 4.266 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 27921921 HSEYFPPUQOEQKH-UXHICEINSA-N 363.436 4.430 0 40 FIAB Cc1cccc(OC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 28240420 XSFJUKZXSUKWAT-UHFFFAOYSA-N 362.429 4.041 0 40 FIAB Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)n(Cc2ccccc2)n1 28246182 VCQBTWDCXURNJI-UHFFFAOYSA-N 358.401 4.147 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1OCC 30852548 VLEKKTSNVLXPJM-DLBZAZTESA-N 371.477 4.437 0 40 FIAB CC(C)[C@H](Sc1nncs1)C(=O)Nc1ccccc1C(F)(F)F 32325820 ARTDNYYENSBDFU-NSHDSACASA-N 361.414 4.312 0 40 FIAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ncccc3Cl)ccc21 32789341 FPKNXOVBCRRYNJ-LLVKDONJSA-N 360.866 4.008 0 40 FIAB Oc1nnc(-c2cccs2)c2cn(-c3ccc(Br)cc3)nc12 35324940 JCKBHSUJDBZJIJ-UHFFFAOYSA-N 373.235 4.012 0 40 FIAB COc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1F 36391031 IGTBSZVZBVEETO-UHFFFAOYSA-N 356.319 4.171 0 40 FIAB C[C@H](CNC(=O)c1occc1COc1ccccc1)N(C)c1ccccc1 40108024 WYZYDNBRQNUQPP-QGZVFWFLSA-N 364.445 4.113 0 40 FIAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H]2CCCc3ccccc32)c1 40114342 RAJDCOZVVNWOHY-LJQANCHMSA-N 364.474 4.395 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CCC(=O)N2CCc3sccc3C2)cc1 40156635 YDGAVNWXILSMAE-UHFFFAOYSA-N 370.518 4.349 0 40 FIAB O=C(c1ccc(Cl)cc1Cl)c1ccccc1CN1CCOCC1 43211486 LLIBJFIRZAGIMF-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB O=C1N[C@@H](c2cc(Cl)ccc2OCc2cccnc2)Nc2ccccc21 46836216 GGFGWLSXNPRTGH-IBGZPJMESA-N 365.820 4.168 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Sc2nncs2)ccc1Oc1cccnc1 57310585 ITNXXWFUGNIYOU-LBPRGKRZSA-N 372.475 4.153 0 40 FIAB CCCCN(C(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 58530573 RGZJZIXQILTDEL-UHFFFAOYSA-N 352.356 4.470 0 40 FIAB Cc1nc2cc(NC(=O)c3csc(Nc4ccccn4)n3)ccc2s1 62022547 ZDHBFUGOOAEHEW-UHFFFAOYSA-N 367.459 4.452 0 40 FIAB O=C1C[C@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 66089625 HOTGSCWPCSPMJT-QMMMGPOBSA-N 359.300 4.241 0 40 FIAB CC(C)c1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1 67335932 KBVBIZQSUDFLBK-UHFFFAOYSA-N 366.446 4.166 0 40 FIAB O=C(Nc1ccc(F)cc1)Nc1cccc(-c2nnc3n2CCCC3)c1 71195163 WSTBFTBBWCNMGL-UHFFFAOYSA-N 351.385 4.065 0 40 FIAB CCOc1cc(C(=O)NCc2cccc(OC)c2)nc2c(C)cc(F)cc12 72331821 UROCGLJXKVLJQU-UHFFFAOYSA-N 368.408 4.020 0 40 FIAB CCCCc1nc(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)no1 75610366 RTIMTWXRQUTTAJ-MRXNPFEDSA-N 363.889 4.418 0 40 FIAB O=C1OCCN1c1cccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 84374335 YZJSIFUBINBNSV-KRWDZBQOSA-N 371.824 4.276 0 40 FIAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC[C@@H]1C1CCCCC1 84582950 SICZNJVFUMAMMJ-SJLPKXTDSA-N 358.507 4.061 0 40 FIAB O=C(c1ccccc1CN1CCSCC1)c1ccccc1C(F)(F)F 85651680 FKVAFGLOFQJQRL-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB O=C(NCC(c1ccccc1)c1ccccc1)N1CCc2ccc(O)cc2C1 89826335 ADCJBRNTPQGEHI-UHFFFAOYSA-N 372.468 4.292 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1 95462297 BEBZDZXMTDZZQR-BBRMVZONSA-N 365.449 4.125 0 40 FIAB C/C(=C\C(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccc(F)cc1 98055435 MWQOTNUENGAVPK-FOCLMDBBSA-N 366.436 4.494 0 40 FIAB O=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccco1 101094530 HQDLMRBYGDLYGF-UHFFFAOYSA-N 360.369 4.250 0 40 FIAB C[C@@H]1[C@@H](OC(=O)COc2cccc(NC(=O)C3CC3)c2)C[C@H]2C[C@H]1C2(C)C 102595717 MRWXYYIEMJFQBF-LZBRWLDZSA-N 371.477 4.028 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106071774 QBLHKHKWMUHZOG-LDDOYCOJSA-N 367.449 4.478 0 40 FIAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)c1cccc(Cl)c1 207964561 WTEJWGGUDLXQKV-INIZCTEOSA-N 363.891 4.475 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCCCN1CCc2ccccc21 216258233 CYINDZTWHRRFNP-UHFFFAOYSA-N 360.457 4.031 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(OC)c(Cl)cc1OC 216340368 UUZIZHPJPNKPGT-LBPRGKRZSA-N 363.841 4.326 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCCN1CCCc2ccccc21 219601773 CIAIRDTWBZBIQD-QFIPXVFZSA-N 366.505 4.112 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222976658 JOGPTAAXVXFYQC-HZPDHXFCSA-N 353.462 4.219 0 40 FIAB Cc1ccc(C(=O)NC2CCCCCC2)c(I)c1 225015021 DVMBPRIKJONJEG-UHFFFAOYSA-N 357.235 4.052 0 40 FIAB O=C(COc1ccccc1Cl)N1CCS/C1=C/c1cccs1 225233058 CSZWXYDJSOPONG-MHWRWJLKSA-N 351.880 4.354 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=S)Nc3ccc(F)cc3)n2)cc1 225460884 SDBHGAIRYIQQBU-UHFFFAOYSA-N 356.426 4.013 0 40 FIAB COc1ccc(NC(=S)NCCCSCc2ccccc2F)cc1 225611750 DBRKAJSNFHGGRF-UHFFFAOYSA-N 364.511 4.444 0 40 FIAB COc1ccc(N(C)C(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 225913099 CWIFRZAPANNFOE-UHFFFAOYSA-N 362.433 4.122 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(C)cc1N 226331639 RHPHLEHYYQZLGD-UHFFFAOYSA-N 353.466 4.074 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 408708841 ULTRFLPKTZPZPR-KLAILNCOSA-N 374.500 4.290 0 40 FIAB Cc1ccc(NC(=O)CCNC(=O)C(c2ccccc2)c2ccccc2)cc1 408736335 ASFXGXLNAZCEBG-UHFFFAOYSA-N 372.468 4.272 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)c1ccccc1 409224809 MCYNMRBDNYHRMD-VCHYOVAHSA-N 362.410 4.087 0 40 FIAB COc1cc2c(cc1OC)[C@H](NC(=O)c1oc3ccccc3c1C)CC2 524732504 KOFXDSDDAUYFKO-MRXNPFEDSA-N 351.402 4.176 0 40 FIAB C[C@H](c1cccnc1)N1CCN(Cc2cc(Cl)cc3cccnc23)CC1 525122527 GBKIZTDNZTWIRZ-MRXNPFEDSA-N 366.896 4.162 0 40 FIAB O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 528838379 FWAMXVDQUFAWDQ-NJDAHSKKSA-N 371.427 4.183 0 40 FIAB Cc1nc([C@H]2CCCN(Cc3c(Cl)cccc3C(=O)O)C2)sc1C 576046413 LZWMAXVZAXFOFZ-ZDUSSCGKSA-N 364.898 4.491 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)c1csc2ccccc12 585372745 WKTMUXZMQUMFEF-MRXNPFEDSA-N 363.841 4.086 0 40 FIAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 1319181453 HERKQUCKWZLRSN-MRXNPFEDSA-N 367.497 4.037 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2ccco2)cc1 1775966669 SVSNCVOMBIRZCR-JOCHJYFZSA-N 371.436 4.492 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882002 QCGVAMNXIPUSOQ-JTQLQIEISA-N 367.207 4.124 0 40 FIAB COC(=O)c1cn(CC(=O)Nc2c(C)cccc2Cl)c2ccccc12 51319178 UTYOZGITVFYDJR-UHFFFAOYSA-N 356.809 4.028 0 40 FIAB O=C(c1cccnc1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 890400 DMJUMMPAIUUZTP-KRWDZBQOSA-N 351.406 4.274 0 40 FIAB COc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1370458 LIEKUNYYPLIGRD-WOJBJXKFSA-N 364.489 4.011 0 40 FIAB O=c1c(Cl)c(N[C@H]2CCc3ccccc32)cnn1-c1ccc(F)cc1F 51501532 BGGHCPUZWXEFRG-HNNXBMFYSA-N 373.790 4.264 0 40 FIAB CCCC[C@H](NC(=O)c1c(OC)cccc1OC)c1nc2ccccc2[nH]1 2653506 KBZJAOLEKSHKTN-INIZCTEOSA-N 367.449 4.241 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 3520159 WUUVTXDCTBIEPU-GJZGRUSLSA-N 370.522 4.026 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)OCc1ccccc1 6339539 ROPMKLFSMPWJLA-UHFFFAOYSA-N 365.414 4.053 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccsc1)S[C@H](C)C(=O)N2 6678983 KVOYIRFKTSBYDX-WBMJQRKESA-N 355.488 4.405 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1 7382342 WAOFLGIJMOVVOL-FQEVSTJZSA-N 366.505 4.036 0 40 FIAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 7884137 WHLVHUSUPKKWRO-NRFANRHFSA-N 372.424 4.240 0 40 FIAB Cc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c(C)c1 8369700 WMVQIHTXSBTWRX-UHFFFAOYSA-N 356.429 4.349 0 40 FIAB Cc1ccccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 17577911 DJNXFPGLXBSEIZ-UHFFFAOYSA-N 357.413 4.474 0 40 FIAB CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 9062210 VUKYTVCMJBHATE-UHFFFAOYSA-N 368.418 4.026 0 40 FIAB CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1-c1ccco1 12274327 VFZFDMTTZJEHTF-UHFFFAOYSA-N 374.400 4.178 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102592504 DUQBPGCVBGLBFQ-RTBURBONSA-N 374.440 4.011 0 40 FIAB CC[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)OC(C)C 952363 VGWZVMPXCZTLEU-LBPRGKRZSA-N 350.509 4.392 0 40 FIAB COCCOCc1cccc(NC(=O)N(C)Cc2cccc(Cl)c2)c1 47590270 MHXQSYNLRPVCHC-UHFFFAOYSA-N 362.857 4.167 0 40 FIAB COc1cccc(-n2cc(-c3ccc(F)cc3)nc2SCC(C)=O)c1 1036464 PNLFWGSXXBHUJP-UHFFFAOYSA-N 356.422 4.368 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1sc(Cl)nc1Cl 57996552 VLEAXHCQUKWEAA-YVMONPNESA-N 359.621 4.448 0 40 FIAB CC(C)n1nccc1NC(=O)[C@@H](C)NC(c1ccccc1)c1ccccc1 23752174 MJKIYZBLCYHQHI-QGZVFWFLSA-N 362.477 4.170 0 40 FIAB COC(=O)c1ccoc1CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 24037963 UAZROJOKNBOALA-SNVBAGLBSA-N 374.487 4.488 0 40 FIAB Cc1cc(CSc2ccccc2C(=O)Nc2nc3ccccc3[nH]2)on1 12577662 UVVMWDZUVBWSRQ-UHFFFAOYSA-N 364.430 4.404 0 40 FIAB Clc1ccccc1-c1nc(C2CC2)ncc1-c1nnnn1-c1ccccc1 16523934 WVOHKHZJDYCGOO-UHFFFAOYSA-N 374.835 4.317 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1cccc(Cl)c1 24756597 WVHUYOGYTHYMRE-UHFFFAOYSA-N 356.857 4.246 0 40 FIAB COc1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1OC 3271983 BWLZTEHFQRHBHS-UHFFFAOYSA-N 355.415 4.184 0 40 FIAB CCC(=O)Nc1ccc(NCc2cc(=O)oc3cc(CC)ccc23)cc1 56163329 ACHFCKAXPDMCQM-UHFFFAOYSA-N 350.418 4.316 0 40 FIAB COC(=O)c1ccoc1CN1CCc2sccc2[C@@H]1c1ccccc1 25679975 CSPSBAJPBGFFJE-IBGZPJMESA-N 353.443 4.275 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCc1nc(-c3cccs3)no1)C2 108966450 LPKBZDAQWIZTFB-PJFSTRORSA-N 359.495 4.062 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1Cl 21598581 RVRZAFOYCSDELB-NSHDSACASA-N 361.854 4.262 0 40 FIAB O=C(/C=C/c1ccccc1F)N1CCC[C@@H](c2nc3ccccc3o2)C1 27375096 JZMWNDKQDLUOBH-LPQFERQCSA-N 350.393 4.386 0 40 FIAB Cc1ccc(CN(C(=O)Cc2csc(-c3cccnc3)n2)C(C)C)o1 58202856 PRIHDPBZDQSSQK-UHFFFAOYSA-N 355.463 4.086 0 40 FIAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccnc1Cl 2209911 BFFIZKGOUPGQIN-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB C[C@H](NC(=O)CSc1ncnc2ccccc12)c1ccccc1Cl 8190605 IKEHACJKGBCUTA-LBPRGKRZSA-N 357.866 4.253 0 40 FIAB COc1cc(OC)c(N[C@@H](C)C(=O)NCCC2=CCCCC2)cc1Cl 28797743 GKROKXCKKRUHGP-ZDUSSCGKSA-N 366.889 4.164 0 40 FIAB Cc1cc([C@@H]2CCCN2CC(=O)N(c2ccccc2)C2CCCCC2)on1 48274961 CORVUDQDWLRZTK-FQEVSTJZSA-N 367.493 4.486 0 40 FIAB Cc1cc(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)no1 48354300 RNJWWSZAOIZSPA-CYBMUJFWSA-N 350.216 4.115 0 40 FIAB Cc1ccsc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156141 FVXLWGYSWPKJQC-MOEXGYKKSA-N 355.459 4.205 0 40 FIAB Cc1ccc(C(=O)[C@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2C)cc1 3526054 CWXHOGMLTJYTBJ-ZDUSSCGKSA-N 372.515 4.284 0 40 FIAB Cc1cc(C)n2cc(CSc3nc(Cc4ccccc4)c(C)[nH]3)nc2n1 8394307 ITDZBUHNJQJBTH-UHFFFAOYSA-N 363.490 4.261 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)OCC(=O)c1c[nH]c2ccccc12 6252769 HEHWNLJTZGAUFP-UHFFFAOYSA-N 361.319 4.155 0 40 FIAB CCc1nc(N2CCN(c3ccccc3)CC2)c2oc3ccccc3c2n1 5218202 LPCQAEZOOSBKII-UHFFFAOYSA-N 358.445 4.265 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3cccnc3)nn2-c2ccccc2)cc1 408724882 MPDBKJPEFSHBIZ-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB Cc1cccc(OCCNC(=O)c2ccc(C3SCCS3)cc2)c1 18147352 VUJPPKDHWVZYOO-UHFFFAOYSA-N 359.516 4.282 0 40 FIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)CCc2nc3ccccc3s2)cc1 6510783 ISSCXVCPKFQAGY-CQSZACIVSA-N 353.443 4.352 0 40 FIAB Cc1ccccc1-n1cnnc1SCc1nc(-c2ccc(F)cc2)no1 8708484 KZRHIYLSGGSTNE-UHFFFAOYSA-N 367.409 4.057 0 40 FIAB COc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1Cl 6789336 QSLUMYIQYNXLBW-UHFFFAOYSA-N 362.838 4.114 0 40 FIAB C[C@H](CC(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1)c1ccccc1 8707158 NRPKWHGCZUDTDO-CYBMUJFWSA-N 364.367 4.111 0 40 FIAB COc1ccc(CCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 6887892 CDNDJFBNEZQPCN-FQEVSTJZSA-N 351.450 4.018 0 40 FIAB COc1cccc(-n2cnnc2SCCCC(=O)c2cccs2)c1 5895051 CNDBNTGECCLDTI-UHFFFAOYSA-N 359.476 4.093 0 40 FIAB CCc1n[nH]c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)n1 4999439 ANWWZDKXVVNSED-AWEZNQCLSA-N 352.463 4.213 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3nccs3)cc12 4979990 GXXOGWNOSAOHMC-UHFFFAOYSA-N 358.423 4.243 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2ccccc2Br)cc1 6956973 XWDBRIVUVSCNBZ-UHFFFAOYSA-N 363.211 4.270 0 40 FIAB Cc1cc(SCC(=O)N(C)c2ccccc2)nc(-c2cccc(F)c2)n1 67257363 QVZAMPFOQSQXTI-UHFFFAOYSA-N 367.449 4.346 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1F)O[C@@H](C)C2 7116980 UJYHBNSNOXWNJI-NSHDSACASA-N 363.816 4.131 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1Cl 7402404 QNJDHEZGHZUVCZ-UHFFFAOYSA-N 366.689 4.273 0 40 FIAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1ccc(O)cc1)CC(O)=N2 71281059 LOSOGPKZHVREDW-MRXNPFEDSA-N 355.438 4.291 0 40 FIAB Cc1nc(NC(=O)Cc2ccc(Cl)c(Cl)c2)nc2c1CCCC2 9753378 PUBOYYAIRCEETM-UHFFFAOYSA-N 350.249 4.152 0 40 FIAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccco1 9217519 WKQWMPWHPGUAJV-KRWDZBQOSA-N 358.445 4.437 0 40 FIAB CC(C)c1ncc(CN[C@H]2CCCc3cn(CC(F)(F)F)nc32)s1 96002739 HZDOYLURBPONJZ-ZDUSSCGKSA-N 358.433 4.193 0 40 FIAB CCCCOc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12 19943754 RYZYHIOQLMPLEA-INIZCTEOSA-N 361.507 4.439 0 40 FIAB O=C(CN[C@@H](c1ccccc1)C(F)(F)F)Nc1ccc(Cl)cc1F 72276852 LIXOZPUUKLRLTQ-HNNXBMFYSA-N 360.738 4.311 0 40 FIAB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@@H](c2ccccc2)CC1 78848819 ZRCMZLCDDPSNAQ-HNAYVOBHSA-N 355.482 4.202 0 40 FIAB COc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nc2ccccc12 72329581 DHEMDMFJCBKZKU-UHFFFAOYSA-N 360.335 4.192 0 40 FIAB c1ccc(C[C@H](Cc2c[nH]cn2)Nc2ncnc3c2oc2ccccc23)cc1 95443215 OXUDCMDAMVKHHY-MRXNPFEDSA-N 369.428 4.365 0 40 FIAB C[C@@H](Oc1cccc(/C=C(\Cl)c2nc3c(F)cccc3[nH]2)c1)C(=O)O 98055767 NYDKITJXJNYVNU-PEHNMLCRSA-N 360.772 4.291 0 40 FIAB COc1ccc(COCCCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 89658673 GTEYSJGADLPVPL-OAQYLSRUSA-N 353.462 4.356 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)c(F)c1 21576429 HEPCAZSLHGJLSZ-UHFFFAOYSA-N 362.832 4.487 0 40 FIAB O=C(Nc1cccc(I)c1)OCc1ccccc1 306678082 ANPYFPYDFRQQOW-UHFFFAOYSA-N 353.159 4.040 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)C1(c2cccc(F)c2)CCCCC1 511123960 JSMHTSFHHFYHCN-UHFFFAOYSA-N 355.409 4.073 0 40 FIAB CCOc1ccc(C(C)(C)C(=O)N[C@H](C)c2ccncc2F)cc1OCC 513381666 HKGAEUDHSYISID-CQSZACIVSA-N 374.456 4.173 0 40 FIAB OC1=NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccnc1 33720592 DHRVLVXMBVQWID-OQLLNIDSSA-N 364.455 4.263 0 40 FIAB CCCCOc1ccc(C(=O)NC[C@@H](O)c2cccc3ccccc23)cc1 70636038 ZFVVKKMCHIYKEV-JOCHJYFZSA-N 363.457 4.482 0 40 FIAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccccc2)C1 72350488 SBLYEULJBGYGKP-LJQANCHMSA-N 361.493 4.165 0 40 FIAB Cc1cccc(CN2CCC[C@H]2c2cncc(Oc3cccnc3C)n2)n1 72384174 UIEIDAWOKQWLAI-IBGZPJMESA-N 361.449 4.013 0 40 FIAB COC(=O)c1cc(OCc2cccc(Cl)c2)c2cc(OC)ccc2n1 65033236 IGZQBQIRYZQGHH-UHFFFAOYSA-N 357.793 4.262 0 40 FIAB Cc1ccc(C)c(CC(=O)NCc2ccccc2CN2CCCCC2)c1 224835756 PTZHNVRLLJWCGV-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223011557 XGEUAJFBTCOXKJ-OAQYLSRUSA-N 353.462 4.220 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 225517363 WTAJMTRCDLVMRB-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB CN(C)Cc1ccccc1NC(=O)CCc1ccccc1Br 48362751 SMWFUEPAKVDPOB-UHFFFAOYSA-N 361.283 4.082 0 40 FIAB COc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1Cl 224536869 RLYOBYRGYOFXQD-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225799838 MAJZYIRKLCMFCE-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F 84563644 BAZPOPNSYQSCME-NVXWUHKLSA-N 353.372 4.201 0 40 FIAB COc1cccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 223391322 MVWJREGKRLBXKB-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB O=C(Cc1ccc(F)cc1)NCc1ccc(OCc2ccc(F)cc2)cc1 222810964 SOYRNORJKPZIOI-UHFFFAOYSA-N 367.395 4.403 0 40 FIAB c1ccc(CCN2CCC(c3cccc(Nc4ncccn4)n3)CC2)cc1 257291720 QIIOXRNETFUYIJ-UHFFFAOYSA-N 359.477 4.037 0 40 FIAB Cc1cccc(Nc2cccc([C@H]3CN(CCc4ccccc4)CCO3)n2)n1 257241146 HWTZJZDDEZPADH-OAQYLSRUSA-N 374.488 4.145 0 40 FIAB Cc1cnc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)cn1 257300967 RWKGEDZEEIQTJF-IBGZPJMESA-N 372.472 4.175 0 40 FIAB Cn1ccc2ccc(NC(=O)N[C@H]3CCc4c(Cl)cccc43)cc2c1=O 1624579327 LSILFNNBGKLRTC-SFHVURJKSA-N 367.836 4.001 0 40 FIAB Cc1[nH]c2ncnc(NCc3nccn3CCCc3ccccc3)c2c1C 645187907 UTMFTWNJLPYQQN-UHFFFAOYSA-N 360.465 4.016 0 40 FIAB C[C@H](Sc1nnc(N)s1)c1cccc(NC(=O)c2ccccc2)c1 53340599 YENMQOIHCVOCPI-NSHDSACASA-N 356.476 4.226 0 40 FIAB Cn1ncc2c(N[C@H](c3ccc(Br)cc3)C3CCC3)ncnc21 54124107 GTMXIQOBTRGQBD-HNNXBMFYSA-N 372.270 4.079 0 40 FIAB COc1ccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 72397226 QSGRXKJGJOHACY-UHFFFAOYSA-N 353.397 4.124 0 40 FIAB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1 11577229 QNVDXMGRFKBNSD-UHFFFAOYSA-N 374.721 4.024 0 40 FIAB COc1ccc([C@@H]2[C@@H](NCc3cccnc3)[C@H]3CCCC[C@H]32)cc1OC 12088981 FYHHTUHNZUTAER-KSCDAYEDSA-N 352.478 4.161 0 40 FIAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccccc1)n2CC 12648134 BMDXSDHWHSOWRY-UHFFFAOYSA-N 368.458 4.208 0 40 FIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Cl)c(Cl)c1 14095309 DOCJRYRSPKOERV-UHFFFAOYSA-N 361.228 4.449 0 40 FIAB COc1ccc(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)cc1 15124000 JTOVIQUNOFSYFA-UHFFFAOYSA-N 358.747 4.418 0 40 FIAB Cc1c(Br)cc(C(=O)OCC(=O)c2ccccc2)c(C)c1C 16756784 AQDBDQVWJVCTIG-UHFFFAOYSA-N 361.235 4.414 0 40 FIAB O=C(c1cc(-c2ccc(F)cc2)on1)N(Cc1ccccn1)C1CCCC1 19401377 UEOTWRVTZKMQJQ-UHFFFAOYSA-N 365.408 4.461 0 40 FIAB COc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1F 10578559 CGYZVRPGRIYTTQ-UHFFFAOYSA-N 371.437 4.297 0 40 FIAB COc1ccc2nccc(C(=O)Nc3nc(-c4cccnc4)cs3)c2c1 1889236528 IDGMCKBAPKOGLL-UHFFFAOYSA-N 362.414 4.014 0 40 FIAB C[C@H](Nc1nc2ccccc2s1)C(=O)NCCSc1ccccc1 32768911 ODVCWQZUOTVUMD-ZDUSSCGKSA-N 357.504 4.005 0 40 FIAB O=C(Oc1ccc(OC(=O)C2[C@H]3CCCC[C@H]23)cc1)C1[C@H]2CCCC[C@H]12 100026606 NXYUXWLWWNZYRE-XSLAGTTESA-N 354.446 4.370 0 40 FIAB CCn1c([C@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033602 WTYIEXSKDNHMRV-AWEZNQCLSA-N 351.475 4.299 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1 4033074 XEXXBDAWEDVBJN-UHFFFAOYSA-N 372.428 4.356 0 40 FIAB CN(C)CCN(C(=O)Cc1ccccc1)c1nc2ccc(Cl)cc2s1 4359197 QLUWDBOKWFMKFG-UHFFFAOYSA-N 373.909 4.087 0 40 FIAB Cc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 4585204 ZYXWYDUIEFSCAJ-UHFFFAOYSA-N 369.424 4.313 0 40 FIAB Cc1cc2nc(N(CCN(C)C)C(=O)c3ccccc3)sc2cc1C 4586158 YHXDCMDFTYZHEY-UHFFFAOYSA-N 353.491 4.122 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cc(F)ccc3F)c2=O)c1 5270048 SGUBYTLZKLVLJJ-UHFFFAOYSA-N 368.383 4.044 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C(C)C 6667928 HPQVFISLHCRDBM-GJZGRUSLSA-N 353.528 4.184 0 40 FIAB COc1ccc(-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nn1 7573297 LWDOQCXCZYQOIV-UHFFFAOYSA-N 373.334 4.423 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)n1 17297576 UWCDMTPEDCKYJN-UHFFFAOYSA-N 353.853 4.115 0 40 FIAB O=Cc1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 35668615 GQBSUKJUWZPTPN-UHFFFAOYSA-N 365.621 4.227 0 40 FIAB CCCCCn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 5826138 SYQSQCSTVXEGMZ-UHFFFAOYSA-N 368.408 4.289 0 40 FIAB Cn1ccnc1[C@H](NCc1ccc(Br)cc1)c1ccccc1 30643023 ZHRXUSNGVIRRBP-QGZVFWFLSA-N 356.267 4.062 0 40 FIAB CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccco1 1364350 JFBGWVHEHOIMCV-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB Ic1ccc(CSc2nc3ccccc3[nH]2)cc1 1445520 VKJIUNQCNHJWQE-UHFFFAOYSA-N 366.227 4.460 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)COc2c(C)ccc(C)c2C)cc1 1775923 RCZIRDMNBSIRLX-UHFFFAOYSA-N 355.434 4.196 0 40 FIAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 2106525 VXZQZCBQALHONX-UCNVEGJOSA-N 369.461 4.187 0 40 FIAB biogenic CCSc1nc(NCCOC)c2c3c(sc2n1)CO[C@](C)(CC)C3 2424101 ZEQHJLFVNCHEOX-QGZVFWFLSA-N 367.540 4.103 0 40 FIAB CCOc1ccc([C@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2472241 SNSCUFPKABAIEX-DLBZAZTESA-N 369.856 4.059 0 40 FIAB CCCn1c(NC(=O)c2cc(-c3cccs3)on2)nc2ccccc21 2802805 BIYPIZYONPUCKJ-UHFFFAOYSA-N 352.419 4.415 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(NC2CCCCC2)s1 3345516 YRHIFVAFPBTYRH-CQSZACIVSA-N 368.572 4.166 0 40 FIAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)NC2CCCCCC2)c1 3398803 UBLSFCWRLQATBJ-UHFFFAOYSA-N 372.538 4.124 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cccc(Br)c3)C[C@@H]2C)c1 3459552 MRUWGZMUWMGDTK-HNNXBMFYSA-N 373.294 4.108 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cccc(F)c1 3471148 HJJWPJHPUZKAKE-UHFFFAOYSA-N 359.451 4.050 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1c(Cl)cccc1Cl 3512624 WVIOXYCBURFTSX-JTQLQIEISA-N 368.216 4.186 0 40 FIAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC(C)C)c(C)c3cc2c1C 4085352 VWQJIKAKZOZJPF-UHFFFAOYSA-N 355.434 4.230 0 40 FIAB biogenic COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)cc1OC 4194570 QSVMZPTXYNRPSN-KRWDZBQOSA-N 358.825 4.055 0 40 FIAB C[C@H]1CCCCN1c1nc(N2CCCC[C@@H]2C)nc(N2CCCC[C@H]2C)n1 4460182 IRHBJWKEYATDJX-OKZBNKHCSA-N 372.561 4.008 0 40 FIAB Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccccc3)c2)c1 4659749 GTGFGIXDVKPGDS-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB CCOc1ccc(-c2cnc(NCc3ccccc3F)n2CCOC)cc1 4679101 ACLUPWMTGHLEQF-UHFFFAOYSA-N 369.440 4.346 0 40 FIAB CNC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCC2 5055731 UFJBIAJLRFRYAT-UHFFFAOYSA-N 350.443 4.002 0 40 FIAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccs1 5259305 AERFEVCFPHKKEP-UHFFFAOYSA-N 350.447 4.058 0 40 FIAB CCN(CC)CCC[C@H](C)NC(=S)Nc1ccc(OC(F)F)cc1 5689564 YALRSUWNXQHUIK-ZDUSSCGKSA-N 359.486 4.085 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 5785213 CCBWFOJTZQOALF-IBGZPJMESA-N 363.461 4.251 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1 5804781 XLZDUAINJYIEHW-MRXNPFEDSA-N 359.495 4.237 0 40 FIAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl 6559244 KSSLGIZJLARACT-LBPRGKRZSA-N 358.290 4.293 0 40 FIAB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCC)C2=O)cc1Cl 6654957 CUGLJNPLTAMBGT-UKTHLTGXSA-N 370.257 4.452 0 40 FIAB O=S(=O)(Nc1c(F)cccc1F)c1cc(C(F)(F)F)ccc1Cl 7405353 NGBACQXVCGVLKA-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB CCOc1c(Cl)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886223 BTBOSXGLDFKBRU-LJQANCHMSA-N 372.852 4.476 0 40 FIAB CSCc1cccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 8137564 KFCKLHPFUUVWBW-UHFFFAOYSA-N 354.519 4.129 0 40 FIAB CCc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1 8654086 QHBDYLBWYSEEIL-YQQQUEKLSA-N 369.534 4.324 0 40 FIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 8917099 UPFFRSLNJXJVBU-LJQANCHMSA-N 363.413 4.065 0 40 FIAB Cc1c(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)oc2ccccc12 9335945 NEVLBNOMOYAGQQ-SFHVURJKSA-N 363.392 4.133 0 40 FIAB O=C(Cc1ccc(Br)cc1)Nc1nc(-c2cccnc2)cs1 9364737 KPUCXSYKGSNSEZ-UHFFFAOYSA-N 374.263 4.149 0 40 FIAB COc1ccc(C)cc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 11162308 GZVSWALKCYHAGY-NRFANRHFSA-N 366.486 4.383 0 40 FIAB CC[C@@H]1CCc2sc(-c3nnc(SC[C@@H]4CCCO4)n3C)cc2C1 11552753 UCWBNZJOKQRGKH-OCCSQVGLSA-N 363.552 4.330 0 40 FIAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@H](c1ccc(F)cc1)O2)CCC3 11866501 TTYGDTJXMZTFTB-QGZVFWFLSA-N 364.372 4.436 0 40 FIAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(C)C)c1 12776814 BHZUWWZXXNHQRN-IBGZPJMESA-N 370.518 4.300 0 40 FIAB C[C@@H](Sc1ccccc1F)C(=O)N1c2ccccc2NC(=O)C1(C)C 12795572 LNQSKWYCXHSBMF-GFCCVEGCSA-N 358.438 4.070 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1 14115848 ZKLZSUFJKAXNPD-UHFFFAOYSA-N 366.442 4.337 0 40 FIAB COc1ccc2c(CC(=O)Nc3nnc(-c4ccccc4)s3)coc2c1 14163471 QQIVBILFNMWHEI-UHFFFAOYSA-N 365.414 4.141 0 40 FIAB COc1ccc(CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)c(OC)c1 14670768 SYTLBSPGNJVUQC-UHFFFAOYSA-N 373.840 4.039 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C(C)C 16679483 KFMLRPKNYFJBBO-IYBDPMFKSA-N 353.528 4.265 0 40 FIAB O=c1[nH]nc(SCc2ccccc2Cl)n2nc(-c3cccs3)cc12 16844014 HOIGMHOKJZXVNX-UHFFFAOYSA-N 374.878 4.092 0 40 FIAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)c(Cl)c1 20036968 OZHUCHDQYAXZTG-UHFFFAOYSA-N 374.849 4.117 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20143319 DXZJMGDMLWSMSE-UHFFFAOYSA-N 367.401 4.017 0 40 FIAB Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)cccc1C(=O)O 20144218 VHXUWBSCFSJUDW-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB Cc1ccc(CN(C)C(=O)COc2ccc(Br)c(C)c2)cc1 20489617 XIVVXDGRIWQABX-UHFFFAOYSA-N 362.267 4.103 0 40 FIAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(c1ccccn1)C3 20649381 ZDILEWMOKWYRMO-UHFFFAOYSA-N 368.820 4.077 0 40 FIAB O=C(OCc1ccccc1)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 20854550 ZWBKHONPFCCCCZ-VQTJNVASSA-N 363.457 4.126 0 40 FIAB CC(=O)NC(=S)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 21596503 QGMZLABOCZMVIH-UHFFFAOYSA-N 353.447 4.451 0 40 FIAB Cc1nc(-c2cccc(NC(=O)CCc3c(C)nn(C)c3C)c2)cs1 22095836 OEZBOQKGBNOAGG-UHFFFAOYSA-N 354.479 4.040 0 40 FIAB CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCCC3)c(O)n2n1 22852978 NVWIEZFOYSJLAC-KRWDZBQOSA-N 370.522 4.367 0 40 FIAB O=C(/C=C/c1ccccc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24560040 QRSUQQVGONGPEL-JLVIMGNISA-N 357.457 4.138 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3cc(OC)ccc3n2)cc1 26076906 QTVBSKRKQHZAMO-NRFANRHFSA-N 362.429 4.229 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C 27822772 UTFBEOLXVBNQKZ-UHFFFAOYSA-N 354.859 4.023 0 40 FIAB Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccc2n1C(=O)c1ccccc1 28535153 MKHWKZRHRUDKSM-UHFFFAOYSA-N 373.387 4.303 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)NC3CCC(C)CC3)co2)cc1 31424541 WWUONLKHDCEOTR-UHFFFAOYSA-N 374.506 4.278 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 31699327 KGSRPURLXWKTCD-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](c1cccs1)C1CCCC1 31803951 AHCLSEMHMWCTPC-FQEVSTJZSA-N 366.486 4.222 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1 31968323 AASVVPSARSCLHW-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)Cc3c(C)[nH]c4ccccc34)c2)n1 33126541 CDINPCDCJUFMLY-UHFFFAOYSA-N 356.429 4.423 0 40 FIAB O=C(O)CCc1ccc(-c2cccs2)n1CCOc1ccc(F)cc1 33405593 INJYTGIORJMFDV-UHFFFAOYSA-N 359.422 4.452 0 40 FIAB Cc1ccccc1C(=O)c1sc(N)c(C(=O)Nc2ccccc2)c1C 35655373 IWGFLCIOEUTQEJ-UHFFFAOYSA-N 350.443 4.430 0 40 FIAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)ccc1O 36364949 QZYMLCJRKSESMP-CQSZACIVSA-N 369.808 4.364 0 40 FIAB Cn1ncc2c(C(=O)N3CCCC[C@@H]3c3ccccc3)cc(C3CC3)nc21 36616293 RRPAUNQBUWMKPK-HXUWFJFHSA-N 360.461 4.213 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 40150733 QIQVDIOCJUUKDP-PKOBYXMFSA-N 365.477 4.116 0 40 FIAB COc1cc(C)ccc1OC(=O)[C@H](C)Oc1ccc(Br)cc1 40160272 SPEMCXWUVKSSJE-LBPRGKRZSA-N 365.223 4.139 0 40 FIAB Cc1cc(C(=O)c2cccc(I)c2)ccc1Cl 43210109 YRVXHCVTXALYMX-UHFFFAOYSA-N 356.590 4.484 0 40 FIAB CC(=O)Nc1cc(NC(=O)N[C@H](C)c2cc3ccccc3o2)ccc1F 44016121 CXAANRLWJSGCAA-LLVKDONJSA-N 355.369 4.413 0 40 FIAB CN(C)[C@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 44225440 RSNTWSUOUOVUNP-JOCHJYFZSA-N 373.500 4.378 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[C@H]1c1ccc(F)cc1 44247871 FYSZRXLHNUTVQH-FQEVSTJZSA-N 364.424 4.440 0 40 FIAB CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 45906954 ACEXERNXSXTPOD-CQSZACIVSA-N 357.475 4.449 0 40 FIAB CCOCc1ccccc1CNC(=O)N1CCC[C@@H]1c1cccc(OC)c1 46178171 YFPSWGVPLBXKQF-OAQYLSRUSA-N 368.477 4.278 0 40 FIAB Cc1c(C(=O)Nc2nnc(-c3ccccn3)s2)oc2c(F)cccc12 46759416 CVDXJQKZMNHWOO-UHFFFAOYSA-N 354.366 4.046 0 40 FIAB O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 47892137 NTGHGWCVHINHDY-RYUDHWBXSA-N 369.305 4.365 0 40 FIAB O=C(c1occc1-c1ccccc1)N1CCC[C@H](c2nnc3ccccn23)C1 48253165 QVPIHLKZVULZCN-KRWDZBQOSA-N 372.428 4.009 0 40 FIAB COc1cccc(C[C@H]2CCCN2CC(=O)N(c2ccccc2)C(C)C)c1 48324961 GGZACVJIZAFUBH-OAQYLSRUSA-N 366.505 4.144 0 40 FIAB COc1ccc(NC(=O)CN[C@H](C)c2cccc3ccccc23)c(OC)c1 57369668 XSANLMOQFFALMF-OAHLLOKOSA-N 364.445 4.146 0 40 FIAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 59227349 BGJUNJPQZYXNLP-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@H]3C(F)(F)F)cc1 66089639 IJMIGCXBPYLRNM-SECBINFHSA-N 371.336 4.110 0 40 FIAB Cc1cccc(C)c1-n1nnnc1[C@H](NCc1ccccc1)c1ccccc1 71405250 QWMCUJFMOIZKDY-OAQYLSRUSA-N 369.472 4.158 0 40 FIAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 72328897 GBIIGFRAAROPPR-UHFFFAOYSA-N 369.852 4.449 0 40 FIAB c1ccc(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333566 OLTYZDLWEXVKET-UHFFFAOYSA-N 366.490 4.233 0 40 FIAB O=C(NC[C@H]1CCCO1)N[C@@H](CCCc1ccccc1)c1ccccc1 75572176 SUJVDMIOVGHLDG-RTWAWAEBSA-N 352.478 4.229 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 84200056 IFKDQRVAZPBMFU-JTQLQIEISA-N 365.783 4.175 0 40 FIAB O=C(NCc1ccc(-c2ccccc2)o1)N1CCO[C@@H](c2ccccc2)C1 84562720 UJXDNBBYKKPRSO-OAQYLSRUSA-N 362.429 4.230 0 40 FIAB CCOC(=O)N1CCC(N(C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 95457128 WSVFEFZCVUBJEG-HUUCEWRRSA-N 352.906 4.385 0 40 FIAB COc1ccc(-c2n[nH]cc2CNc2cnn(-c3ccccc3)c2C)cc1 95462173 VOVFXNZDBDSYGQ-UHFFFAOYSA-N 359.433 4.192 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)c(C)o1 96119070 AAJGARAUZSMBTR-ZDUSSCGKSA-N 357.435 4.028 0 40 FIAB O=C1O[C@H]2[C@H](O1)[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 100494790 BFKQJUMZSIYBEW-SQOUVECCSA-N 356.377 4.122 0 40 FIAB Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)C[C@H](c3ccco3)CC1=N2 102680388 CYFLSBXSZFQLJJ-YJYMSZOUSA-N 364.380 4.384 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 103717984 RJCPMYWAMHFLAU-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB O=C(c1ccn(-c2c(F)cccc2F)n1)N(c1ccccn1)C1CCCC1 154470991 MVPSOKQFTURQJR-UHFFFAOYSA-N 368.387 4.135 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 219068356 FVWBVFJACLAOHP-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc2c(c1)CCCC2 223144494 KWIWKISZSUERES-LJQANCHMSA-N 361.482 4.443 0 40 FIAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccccc1OC 224579563 WRVOAVYPNYTOIN-UHFFFAOYSA-N 357.450 4.155 0 40 FIAB CC(C)CC(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226352084 YYGDDZVYVCOPIG-UHFFFAOYSA-N 366.211 4.392 0 40 FIAB CCCCN(Cc1ccccc1)C(=O)c1ccnc(OC2CCOCC2)c1 252478438 AMKJQZSLDRXWBB-UHFFFAOYSA-N 368.477 4.082 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253611270 KRBMZSYRIJAAMS-OYIIHGHGSA-N 374.521 4.201 0 40 FIAB CCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 408629219 QHGVOQJTCCEOHP-GFCCVEGCSA-N 372.490 4.013 0 40 FIAB CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409062807 BAMMVYWPOZHXCZ-QGZVFWFLSA-N 364.489 4.121 0 40 FIAB COc1cccc(-c2ccc(C(=O)NC[C@@H]3COc4ccccc43)cc2)c1 670440783 RAIWHXHLERJHKJ-LJQANCHMSA-N 359.425 4.268 0 40 FIAB F[C@@H]1CCCN(Cc2cccc(Br)c2Br)C1 1232762935 FZPSZJFJWAOISO-SNVBAGLBSA-N 351.057 4.146 0 40 FIAB O=C(Cc1csc(C2CCCC2)n1)NCCc1cc2ccccc2[nH]1 1519147769 JGTOWCZMHIYZIZ-UHFFFAOYSA-N 353.491 4.183 0 40 FIAB FC(F)(F)c1cccc(N2CCC(N3CCc4sccc4C3)CC2)n1 1776001450 UAOWVXZUORGWKO-UHFFFAOYSA-N 367.440 4.189 0 40 FIAB Cc1c(-c2nc(-c3ccc(OCC4CC4)nc3)no2)nc(O)c2ccccc12 1776002935 NJEIKGAFCMHTKN-UHFFFAOYSA-N 374.400 4.150 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)c3ccccc3C(F)(F)F)cc2)cn1 1889258621 FEHWLMQAHKAEJZ-UHFFFAOYSA-N 373.378 4.078 0 40 FIAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](N(CCF)C(=O)OC(C)(C)C)C1 2362797593 OANJGHAOQGKIEG-ZIAGYGMSSA-N 360.470 4.029 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)s1 673241 PPDHMXPILDEXEQ-SECBINFHSA-N 357.888 4.018 0 40 FIAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1ccc(Br)o1 709983 QKMYGKFZHQMVMW-LBPRGKRZSA-N 355.228 4.186 0 40 FIAB O=C(CN1CCCC1)N1CCC[C@@H](c2ccc(F)cc2)c2ccc(F)cc21 717529 GYMSCQAXVNEANR-IBGZPJMESA-N 370.443 4.319 0 40 FIAB Nc1nc2n(n1)[C@H](c1cccs1)C[C@H](c1ccc(Cl)cc1Cl)N2 803164 YKXHMELMOMONEH-NEPJUHHUSA-N 366.277 4.375 0 40 FIAB CCNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 878485 LYPRFAWBRJVPEC-UHFFFAOYSA-N 371.550 4.174 0 40 FIAB CN(C)C(=O)Oc1ccc2cc(Br)ccc2c1Br 947983 VQPLPUPLGWYUIL-UHFFFAOYSA-N 373.044 4.425 0 40 FIAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(F)cc2)o1 1279841 DANFZHBRCVUKKV-INIZCTEOSA-N 368.437 4.225 0 40 FIAB CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359654 SQXJCPSQUMIZLS-UHFFFAOYSA-N 362.473 4.126 0 40 FIAB CCC(=O)N(Cc1cccs1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1366470 OWDMFKSGXMNTNS-UHFFFAOYSA-N 354.475 4.145 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc2ccccc2c1)C(=O)O 2527742 NIOMUOZNEGRIFH-NRFANRHFSA-N 355.434 4.237 0 40 FIAB COc1ccc(CSc2nnc3c(Cl)cc(Cl)cn23)cc1F 2619763 QGWPXVZWNWNYID-UHFFFAOYSA-N 358.225 4.476 0 40 FIAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)o1 2637722 UBQPHCCDVJWMOA-NSHDSACASA-N 355.312 4.099 0 40 FIAB O=C(NOCc1ccccc1)c1ccc(COc2ccc3c(c2)CCC3)o1 2791325 RUZGIDYKPFDRRN-UHFFFAOYSA-N 363.413 4.209 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 3217831 VDMOJACGXFTBNS-UHFFFAOYSA-N 369.436 4.436 0 40 FIAB COc1ccccc1CN(C)C(=O)Cc1csc(-c2ccccc2)n1 3344865 JBEAMWWRWMXFSN-UHFFFAOYSA-N 352.459 4.020 0 40 FIAB CCCSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 3345677 PUTGAZHJIQGUHC-UHFFFAOYSA-N 353.447 4.224 0 40 FIAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3ccccc3F)c2n1 3765478 IZOSIHMFFGUJDW-UHFFFAOYSA-N 361.420 4.375 0 40 FIAB CC[C@@H](C)NC(=O)Cc1c(C)c2c(cc(C)c3c(C)c(C)oc32)oc1=O 4089328 GEUZPBLFBKDUPG-LLVKDONJSA-N 355.434 4.230 0 40 FIAB biogenic O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)NC1CCCCC1 4305424 GYFZWPMBRBGQAW-LJQANCHMSA-N 369.534 4.484 0 40 FIAB CCN(C(=O)COC(=O)c1oc2ccc(OC)cc2c1C)C1CCCCC1 4319231 UJDLCFDKUWYEFS-UHFFFAOYSA-N 373.449 4.088 0 40 FIAB COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1cccs1 4487801 OJQSWQYCPUGDLU-UHFFFAOYSA-N 370.405 4.400 0 40 FIAB O=C(COc1ccccc1Br)Nc1ccc(C(F)(F)F)cc1 5038012 TWQUCEJWTMRLSJ-UHFFFAOYSA-N 374.156 4.485 0 40 FIAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(F)c(F)c1)CSC2 5077540 SQVLOADAPONHEF-UHFFFAOYSA-N 371.412 4.458 0 40 FIAB Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)n(CC(C)C)c1C 5262858 MNERFROEERUSEU-IBGZPJMESA-N 371.550 4.442 0 40 FIAB CCN(C(=O)CSc1nc2ccccc2n1CC)c1ccc(F)cc1 5267322 RANOXVFGCJCQER-UHFFFAOYSA-N 357.454 4.341 0 40 FIAB O=C(Cc1ccc(Br)cc1)OCC(=O)c1cc2ccccc2o1 5559392 FMSLUTNGEYWNLW-UHFFFAOYSA-N 373.202 4.164 0 40 FIAB Cc1cc(=O)oc2c(C)c(OC(=O)c3ccc(OC(F)F)cc3)ccc12 6218757 RMDTZDSIQOCGIY-UHFFFAOYSA-N 360.312 4.230 0 40 FIAB Cc1nc2ccccc2nc1OCc1nnc(-c2ccc(Cl)cc2)o1 6652614 ZOGBDACTTKJDLO-UHFFFAOYSA-N 352.781 4.221 0 40 FIAB Cc1ccccc1-n1c(C)c(C)c2c(NCCCn3ccnc3)ncnc21 6664749 WWSCMQBNYRMHPA-UHFFFAOYSA-N 360.465 4.044 0 40 FIAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@@H](C)c1ccccc1 7018358 FSBLLKCLAWNKOT-AWEZNQCLSA-N 361.283 4.389 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 7061537 PYZWZWKREAJMQY-QMMMGPOBSA-N 363.792 4.212 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cc1cccc(C(F)(F)F)c1 7830956 OFOYKLPJWXTKEF-UHFFFAOYSA-N 373.378 4.092 0 40 FIAB C[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCCCCC1 7875060 OLCXPTKIMLXIQZ-AWEZNQCLSA-N 359.397 4.034 0 40 FIAB O=C(NCCSc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1 8156185 UFEJJUUVNIWDES-UHFFFAOYSA-N 363.486 4.272 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnn(-c2ccccc2)c1 8192724 KBJFRPBUEBICGH-UHFFFAOYSA-N 361.401 4.166 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(C3SCCS3)cc2)cc1 8237504 MQZDAXUQYRXCGT-UHFFFAOYSA-N 359.516 4.282 0 40 FIAB CN(C(=O)C1CCCCC1)c1ccccc1C(=O)NCc1ccccc1 8375273 SLJGYICXVWGNEZ-UHFFFAOYSA-N 350.462 4.160 0 40 FIAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccccc1 8535289 AGVMVHRFONTLHB-CQSZACIVSA-N 350.443 4.491 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1cccc2ccccc12 9037992 SQLNFGRVVZFHLX-UHFFFAOYSA-N 370.452 4.387 0 40 FIAB O=c1c2cc(OCc3c(Cl)cccc3Cl)ccc2nc2n1CCC2 9047559 UDQMGTSHMIMKAW-UHFFFAOYSA-N 361.228 4.229 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 9107073 REUJVPDWUMJDBB-UHFFFAOYSA-N 356.853 4.210 0 40 FIAB Cc1ccc2[nH]/c(=N/C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)sc2c1 9111339 GMTFVKGSNPCMCP-UHFFFAOYSA-N 364.426 4.002 0 40 FIAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(CN2CCCCC2)cc1 9918837 BMFGTCISGJEIJV-UHFFFAOYSA-N 366.505 4.262 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CN2CCC[C@H]3CCCC[C@@H]32)c1 11470761 XDYKPDWQBQHKHQ-APWZRJJASA-N 360.498 4.077 0 40 FIAB COc1cc(C)c(-c2nc(NC(=O)[C@@]3(C)CCCO3)sc2C)cc1C 12193753 YCPJKODSJHSWNS-LJQANCHMSA-N 360.479 4.252 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1ccccc1C(=O)O 12312221 GZPWQYNLYYAAGZ-YCPHGPKFSA-N 350.480 4.481 0 40 FIAB in-vitro CC(C)Cn1c(SCC(=O)N2CCc3ccccc32)nc2ccccc21 12660635 UYLGVZGOOHEBOW-UHFFFAOYSA-N 365.502 4.374 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1 12808394 OSIVWWGBVLZKQO-UHFFFAOYSA-N 364.424 4.371 0 40 FIAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3)[nH]c2=S)cc1 12972824 VAEHOXSPBDXGDC-SFHVURJKSA-N 366.490 4.411 0 40 FIAB O=C(NCc1ccccc1OC(F)(F)F)N[C@@H]1CCCc2occc21 12984425 FSQPODANQYPOEP-CYBMUJFWSA-N 354.328 4.055 0 40 FIAB O=C(/N=c1/c2ccccc2nc2n1CCCCC2)c1ccc(Cl)cc1 13147563 VOZUFIAEFWEIBD-NMWGTECJSA-N 351.837 4.157 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2ccc(Br)cc2)c2ccccc2O1 13672719 GTUVYGFYQHWPRR-OAHLLOKOSA-N 360.251 4.481 0 40 FIAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(OC)c(OC)c1 14083423 GWQGGUDGZOYXAJ-UHFFFAOYSA-N 373.453 4.414 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1C 14857475 IBDLCFSNGSRMCL-UHFFFAOYSA-N 362.832 4.431 0 40 FIAB Cc1ccc2nc(COC(=O)c3ccc(C(=O)c4ccccc4)cc3)cn2c1 16250443 BFVULOXXYPXFPY-UHFFFAOYSA-N 370.408 4.231 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1ccc(CN2CCCC2)cc1 17074270 KIVKMGULYDPYJE-UHFFFAOYSA-N 360.457 4.453 0 40 FIAB Cc1cc(OCn2ccc(C(=O)Nc3ccccc3O)n2)cc(C)c1Cl 17076161 HNEHZDMZEMVYEJ-UHFFFAOYSA-N 371.824 4.148 0 40 FIAB COc1cc(NC(=S)Nc2ccc(C(=O)OC(C)C)cc2)cc(OC)c1 17076614 OERDURXRBXGLAE-UHFFFAOYSA-N 374.462 4.078 0 40 FIAB COc1ccc(/C=C/C(=O)NCCSCc2ccc(C)cc2)cc1OC 17603479 JZURCUBVBGOIOS-PKNBQFBNSA-N 371.502 4.075 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20141627 NQPRGWSRWKCZPA-UHFFFAOYSA-N 351.402 4.478 0 40 FIAB Cc1cc(C(=O)COC(=O)c2cc(C)n(Cc3cccs3)c2C)c(C)[nH]1 22416661 NMLCATKDBLJJTO-UHFFFAOYSA-N 370.474 4.199 0 40 FIAB O=C(Cc1cccc2ccccc12)NCC1(c2cccs2)CCOCC1 23238111 XFXXCLLWEWFFCM-UHFFFAOYSA-N 365.498 4.308 0 40 FIAB CCCNC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 23471214 JVPBYQVPBTZJEL-UHFFFAOYSA-N 361.467 4.116 0 40 FIAB CCc1ccccc1NC(=O)c1ccccc1SCc1noc(C)n1 24983860 AOQVKJFDWMHMNI-UHFFFAOYSA-N 353.447 4.485 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3cnc4ccccn4c3=O)cc2)cc1 25599466 CVTDMIRHPMDZIW-UHFFFAOYSA-N 371.396 4.048 0 40 FIAB O=S(=O)(CCSc1ccc2ccccc2n1)c1ccc(Cl)cc1 29867321 TWBIPPNCLOMRLR-UHFFFAOYSA-N 363.891 4.454 0 40 FIAB COc1ccccc1CNC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 30983084 FDRZNZAFNPGTBF-LBPRGKRZSA-N 352.356 4.274 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1C 32753762 ZJNOOFMMOUTHPW-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB O=C(Cc1noc(Cc2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 35316302 MTXNHFSNSOYIBX-UHFFFAOYSA-N 362.216 4.148 0 40 FIAB O=C(CC(CC(=O)c1ccco1)c1ccccc1C(=O)O)c1ccco1 35325149 NHZAIYVSLJMMPT-UHFFFAOYSA-N 352.342 4.200 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1OC 36359343 WYAKDISWCAWWCM-ZDUSSCGKSA-N 373.478 4.274 0 40 FIAB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Br)cc1F)c1ccccc1 39486053 MYUQOBIVLNGMOR-ZENNRRHLSA-N 373.225 4.373 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 39918145 HCUSAWSLHKPCQM-ZDUSSCGKSA-N 362.351 4.005 0 40 FIAB O=C(Cc1noc2ccccc12)Nc1ccc(Sc2nncs2)cc1 47407716 JWZSAEPNKBDAGQ-UHFFFAOYSA-N 368.443 4.012 0 40 FIAB Cn1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c2ccccc21 47917491 KREBQFIUADOBJH-UHFFFAOYSA-N 355.388 4.309 0 40 FIAB Cc1sc(NC(=O)c2ccc([S@](C)=O)cc2)nc1-c1ccc(F)cc1 47983117 BFSMIUALAXVCBJ-RUZDIDTESA-N 374.462 4.247 0 40 FIAB C[C@@H](NCC(=O)NCCSc1ccccc1)c1ccc2ccccc2c1 49580903 HMXZOAIOVFRUSZ-QGZVFWFLSA-N 364.514 4.399 0 40 FIAB C[C@@H]1CN(c2ccc(CNc3ccnc4cc(Cl)ccc34)cn2)CCO1 52245270 SZFABUNKXHQZEL-CQSZACIVSA-N 368.868 4.120 0 40 FIAB O=C(Nc1cccc(-c2nccs2)c1)C1(c2ccccc2)CCOCC1 58264411 XESCSVOMNYLLQO-UHFFFAOYSA-N 364.470 4.497 0 40 FIAB Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218856 IFWJIZKWKXGPMC-HXUWFJFHSA-N 365.477 4.464 0 40 FIAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCCN2C(=O)CC(C)C)n1 72383715 FYVBMBYZBPDLGC-MRXNPFEDSA-N 353.470 4.023 0 40 FIAB CC[C@@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)c1c(C)noc1C 75126609 SRLRUTWMYXYEHS-MRXNPFEDSA-N 352.394 4.006 0 40 FIAB COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2cccc3ccccc23)c1 83973565 LXCQIVQPPRDMPV-OAQYLSRUSA-N 374.440 4.151 0 40 FIAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccccc1Cl 95450174 SFRXXZQRISZQDT-ZDUSSCGKSA-N 367.877 4.251 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 107350021 KUQSARIONLCSRO-LUKYLMHMSA-N 366.461 4.066 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)cc2)S1 222560049 OETLXCHTJOVXMO-RLCCDNCMSA-N 374.307 4.433 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 222982999 AOQVJHRZGPPDEG-LLVKDONJSA-N 359.297 4.035 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)s1 223717490 PMMOOCUPZMKGPP-LLVKDONJSA-N 359.476 4.209 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)c1C 223789410 GYXKVCYPRBZGLI-SFHVURJKSA-N 355.478 4.389 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 224831554 HTWMQSBBNZNNDY-LJQANCHMSA-N 366.505 4.065 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1 225476144 HBIASAOUXWHGMH-HNNXBMFYSA-N 356.491 4.446 0 40 FIAB Cc1cc(N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)ncn1 257219444 DGULRGPNDQRAPW-UHFFFAOYSA-N 366.440 4.061 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@H](c2cc(-c3cccc(C(=O)O)c3)ccn2)C1 257242481 ICTFEQOOGHLRIR-SFHVURJKSA-N 366.461 4.199 0 40 FIAB c1ccc(CCN2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 257311819 ULDNDECASDJARG-XMMPIXPASA-N 358.485 4.288 0 40 FIAB C[C@@H](NC(=O)Nc1ncc(C(C)(C)C)s1)c1ccc2c(c1)CCC(=O)N2 331698249 XFIRFQCWZSQTKU-LLVKDONJSA-N 372.494 4.208 0 40 FIAB COCCc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 504232263 GBWXLOXTSBPTKP-QHAWAJNXSA-N 367.445 4.174 0 40 FIAB CCC(CC)n1nccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 555409932 KOYUPRFSHGTOFF-UHFFFAOYSA-N 354.429 4.063 0 40 FIAB COc1cccc(C)c1NC(=O)N1CCC2(C=Cc3ccccc3O2)CC1 585101389 GGRMYMAFYWRAEJ-UHFFFAOYSA-N 364.445 4.476 0 40 FIAB CC1(C)CN(C(=O)c2cccc(Nc3ncccn3)c2)[C@H]1c1ccccc1 619054741 BHYNFDZTQNDGMM-IBGZPJMESA-N 358.445 4.444 0 40 FIAB CCC[C@H](N[C@H](CO)c1ccnn1C)c1ccc(Oc2ccccc2)cc1 624017683 COTOKFKFXFBSMO-LEWJYISDSA-N 365.477 4.377 0 40 FIAB Cc1nc([C@@](C)(NC(=O)c2oc3c(C)ccc(C)c3c2C)C2CC2)no1 647139300 YBLAUBSXUISAHS-FQEVSTJZSA-N 353.422 4.105 0 40 FIAB COc1cccc2cc(CNC(=O)NC[C@H]3CCCc4ccccc43)oc12 1115972637 CLYWYECFFSYWFM-QGZVFWFLSA-N 364.445 4.361 0 40 FIAB Cc1cc(F)ccc1-n1cc(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)nn1 1128318423 JTTBXMMHXHSRTK-RDJZCZTQSA-N 358.461 4.050 0 40 FIAB O=C(NC1CCN(c2ccccc2)CC1)c1c[nH]cc1Cc1ccccc1 1583296061 SZRUHFNCVDBVCX-UHFFFAOYSA-N 359.473 4.004 0 40 FIAB Cc1ccc(C(=O)N2CCC(COc3ccc(C(C)(C)C)nn3)CC2)s1 1775966136 SHJWVRGUBPCSOM-UHFFFAOYSA-N 373.522 4.075 0 40 FIAB O=C(CCc1ccccc1Br)NCC1(c2ccsc2)CC1 1889249501 DOZVYFOSIJUSAV-UHFFFAOYSA-N 364.308 4.291 0 40 FIAB COc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCC3 689564 MERFTXIEKMZWQF-UHFFFAOYSA-N 367.474 4.408 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 804551 BSUXGZTXJWZSKT-OAHLLOKOSA-N 358.463 4.094 0 40 FIAB CCCCCc1nnc(NC(=O)CCCOc2ccccc2OC)s1 1893052 BZTDZPHZGCOLNC-UHFFFAOYSA-N 363.483 4.077 0 40 FIAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)c1 2053670 BXPZPVJGYAFQQT-UHFFFAOYSA-N 370.474 4.195 0 40 FIAB CC1(C)C[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)CCO1 2256355 IXKOMIFCQVROEI-HNNXBMFYSA-N 373.474 4.077 0 40 FIAB Cc1ccc2nc(-c3ccncc3)c(Nc3ccc4c(c3)OCCO4)n2c1 2468878 JNFIIUCXELTQNQ-UHFFFAOYSA-N 358.401 4.220 0 40 FIAB COc1ccc(CCNC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 2760159 REOYLKZDOPGFEY-UHFFFAOYSA-N 361.441 4.343 0 40 FIAB O=C1N[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)Nc2ccccc21 3240805 HJMFDHNPLDEHHM-FQEVSTJZSA-N 372.453 4.455 0 40 FIAB S=C(Nc1ccccc1Cl)NC1CCN(Cc2ccccc2)CC1 3287059 VFQCUBOUTDETBK-UHFFFAOYSA-N 359.926 4.291 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3290982 FIRLBBHZHQTZDQ-GFCCVEGCSA-N 360.841 4.231 0 40 FIAB O[C@H](CNCCc1ccc(Cl)cc1)COc1cc(Cl)ccc1Cl 3383825 GXPXXNSHNFOFNY-OAHLLOKOSA-N 374.695 4.219 0 40 FIAB CC(C)C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078213 WEHYHCYMLVPYBS-UHFFFAOYSA-N 361.414 4.444 0 40 FIAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCC(C)C)c(C)c12 4089442 NXIXJPLNNMLKRR-UHFFFAOYSA-N 355.434 4.169 0 40 FIAB biogenic O=C(c1ccco1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120451 JIZSRBMOVCGFRW-UHFFFAOYSA-N 354.353 4.044 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 4224423 FVMXFIIQDNLBBR-CQSZACIVSA-N 365.458 4.025 0 40 FIAB C[C@H](c1ccccc1)N(C)C(=O)C(F)(F)C(=O)N(C)[C@H](C)c1ccccc1 4653607 WCCNEKJAUICGHQ-HZPDHXFCSA-N 374.431 4.061 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccccc1C(F)(F)F 4745921 JLZGZEAGEQZPBG-OAHLLOKOSA-N 353.296 4.004 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3C)o2)c1C 5434778 SQIHZJWSXRQFTP-UHFFFAOYSA-N 369.446 4.168 0 40 FIAB Cc1nnc(NC(=S)Nc2ccccc2)nc1/C=C/c1cccs1 5739552 AVLHEQRCLYUBNQ-MDZDMXLPSA-N 353.476 4.221 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6375269 GNTVLDRBIJZJIJ-UHFFFAOYSA-N 361.825 4.313 0 40 FIAB Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc3[nH]ncc3c2)c1Cl 6589256 LUOOPIZXOWFFAS-UHFFFAOYSA-N 370.261 4.287 0 40 FIAB CC[C@H](C)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 6847757 KILYKFVYOLZGAD-KSSFIOAISA-N 358.869 4.116 0 40 FIAB CSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)O 6940638 PDOURVSEASVKPZ-UHFFFAOYSA-N 355.337 4.378 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)cc1 7758154 OROBBPJTCDFXDK-UHFFFAOYSA-N 374.396 4.228 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7882463 IUADAQCALXDHKG-GOSISDBHSA-N 358.441 4.448 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2c(C)cccc2C)CC1=O 7928171 CXBTVWULEZHHHM-LJQANCHMSA-N 364.489 4.420 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)C(C)(C)C)cc2c1 9010407 YICLSRRGWWDDCI-UHFFFAOYSA-N 352.434 4.004 0 40 FIAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3ccccn3)n2)c1 9336025 YERKLERIPZSSKJ-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB CC[C@@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)Nc1cc(C)on1 9515091 HDJJJERLOMWUNL-OAHLLOKOSA-N 368.462 4.313 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1 9690203 DGHWFICSGTXRLD-QAPCUYQASA-N 370.880 4.070 0 40 FIAB CCc1ccccc1OCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 9739806 GCPKYUHOFQLGQW-AWEZNQCLSA-N 354.475 4.457 0 40 FIAB C[C@H](Oc1ccccc1)c1nn2c(CCc3ccccc3)nnc2s1 10311922 WVRFRSHREZIYPV-AWEZNQCLSA-N 350.447 4.111 0 40 FIAB O=C(NCc1ccccc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11250036 QLFPOOKKBFTZHU-UHFFFAOYSA-N 373.387 4.473 0 40 FIAB O=C(CSc1ccccn1)Nc1ccccc1C(=O)Nc1ccccc1 11334729 BDLHEFPTNMKPBC-UHFFFAOYSA-N 363.442 4.065 0 40 FIAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)on1 12422332 OZBPAAXWQDNBAE-UHFFFAOYSA-N 357.366 4.172 0 40 FIAB CN(C(=O)Nc1ccccc1F)[C@H](c1ccc(Cl)cc1)c1nccn1C 12550111 NUBKEIDTCZOZCQ-QGZVFWFLSA-N 372.831 4.466 0 40 FIAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(F)c1 12784192 PYHZQXMTVQYGBL-IBGZPJMESA-N 358.413 4.344 0 40 FIAB C[C@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C[C@H](C)O1 12816713 RCUIPEGQWTXKNY-RYUDHWBXSA-N 353.340 4.215 0 40 FIAB COc1cccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)c1OC 12944293 KHEADPKSTSPVQQ-ZDUSSCGKSA-N 368.458 4.318 0 40 FIAB Cc1cccc(OCCN(C)Cc2cc(=O)oc3cc(C)c(C)cc23)c1 13000888 JVDJWBHYYMJZGP-UHFFFAOYSA-N 351.446 4.229 0 40 FIAB Cc1ccc2nc(CN[C@@H](C)c3ccc(Cl)cc3Cl)cc(=O)n2c1 13041424 UMAQQRPXDZQHIR-LBPRGKRZSA-N 362.260 4.161 0 40 FIAB Cc1cc2c(nc1C)sc1c(=O)n(Cc3ccc(Cl)cc3)cnc12 13687630 OVECMJGNQHZEOC-UHFFFAOYSA-N 355.850 4.325 0 40 FIAB CC(C)Cc1nnc(NC(=O)Cc2coc3cc4c(cc23)CCC4)s1 14380193 RXDLKROETALFOQ-UHFFFAOYSA-N 355.463 4.153 0 40 FIAB COc1ccc(-c2nnc(SCCCOc3ccccc3C=O)o2)cc1 15422806 RSTVOYUUJXCPTP-UHFFFAOYSA-N 370.430 4.119 0 40 FIAB COc1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 15838662 UIHFMCJKVDQDOY-UHFFFAOYSA-N 357.793 4.285 0 40 FIAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 16408557 FVESOLLPQWQOOK-MDWZMJQESA-N 374.799 4.432 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cncc(Br)c1 17917042 KOLHKCJFIODQPQ-UHFFFAOYSA-N 374.065 4.423 0 40 FIAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c3c(C)cc(C)nc3nn12 20605171 HCUBZHKOLIYZSD-UHFFFAOYSA-N 366.808 4.001 0 40 FIAB O=C(COCc1nc2ccccc2s1)N1CCC[C@H]1c1cccs1 22131805 VMVLBPPQLWRZLS-AWEZNQCLSA-N 358.488 4.238 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 22526731 FAOZGSOFPFNMLS-INIZCTEOSA-N 355.434 4.113 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(C)c1 24456824 QHLDHTFQYNTCLN-UHFFFAOYSA-N 357.400 4.317 0 40 FIAB C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)Nc1ccc2ccccc2c1 24832382 RLJDIOWKHCLMPL-OAHLLOKOSA-N 373.456 4.171 0 40 FIAB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1 26780237 BRUOUKLXXRQURY-SFHVURJKSA-N 369.852 4.169 0 40 FIAB CCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 27582327 ZESXRFYKIZGJKI-KRWDZBQOSA-N 358.507 4.104 0 40 FIAB COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)cc1 27584401 CKFNWSSBDBXWEM-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB biogenic O[C@H](COc1ccccc1)Cn1c(CCc2ccccc2)nc2ccccc21 27755772 HXIDFQGEEKZYTR-FQEVSTJZSA-N 372.468 4.261 0 40 FIAB C[C@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)o1)c1ccncc1 28229726 FWDOVDGKGSCDKT-ZDUSSCGKSA-N 356.809 4.398 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3ccc(CSC(F)F)o3)cnc21 30789608 WFKBKDIGQAVREF-UHFFFAOYSA-N 366.393 4.313 0 40 FIAB O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc(OC(F)(F)F)cc1 32094506 UWQJAOUTKSNXLE-UHFFFAOYSA-N 367.352 4.014 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1Cl 32585568 KQMRFDGJYWCJHS-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB O=C(NCCOC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 35585795 HVPRZWBXMVKKQI-UHFFFAOYSA-N 368.220 4.364 0 40 FIAB CC(C)CC[C@H](C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 36873693 RPJWTZBIPBBSBY-INIZCTEOSA-N 350.466 4.034 0 40 FIAB COc1cc(CNC(=O)CCC2CCCC2)ccc1OCc1cccnc1 40089065 NQWZDQQWMKENGN-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB CC(C)CC[C@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140249 QSNPKNVPPODNOV-KRWDZBQOSA-N 373.518 4.215 0 40 FIAB Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 44912276 PARZGMHKKNMGQV-IBGZPJMESA-N 356.897 4.177 0 40 FIAB CC(=O)Oc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1 57312303 SKSGDHJNEISTFN-UHFFFAOYSA-N 359.175 4.148 0 40 FIAB O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccccn1 67259340 CBYXEZNRJOVFND-UHFFFAOYSA-N 359.454 4.132 0 40 FIAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c(N)c1 70462893 POJYLXBYDXTIBB-UHFFFAOYSA-N 363.255 4.136 0 40 FIAB C[S@@](=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 72298064 DNXZUWKNWCVKJX-QFIPXVFZSA-N 353.896 4.198 0 40 FIAB CCc1ccccc1NC(=O)CN(C)Cc1ccccc1OCC(C)C 72313429 UYJYSBBBBILOQE-UHFFFAOYSA-N 354.494 4.354 0 40 FIAB C[C@@H](NC(=O)c1cn[nH]c1-c1cccc(Br)c1)c1ccccc1 72329071 QRUHQRSBDGNLED-GFCCVEGCSA-N 370.250 4.330 0 40 FIAB Cc1cc(S(=O)(=O)Nc2nc3c(C)cccc3s2)ccc1Cl 72414486 KRQDUZCSRWUIJG-UHFFFAOYSA-N 352.868 4.367 0 40 FIAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 84099175 FQASUUAEZORVRD-VUCTXSBTSA-N 351.377 4.225 0 40 FIAB Cc1ccn2ncc(C(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)c2n1 84839030 PZXCWHJUDDBHPR-CVTTXWKISA-N 360.461 4.136 0 40 FIAB Cc1cc2oc(=O)cc(CN(C)CCc3ccccn3)c2cc1C(C)C 89608974 YBJIOMUDLNVGKU-UHFFFAOYSA-N 350.462 4.294 0 40 FIAB CCCOc1ccc(Cl)cc1NC(=O)c1cncc(-c2cnn(C)c2)c1 95953731 QVCRNUNGFXKNIS-UHFFFAOYSA-N 370.840 4.177 0 40 FIAB c1ccc(-c2ccc3nc(C4CCN(Cc5ccncc5)CC4)nn3c2)cc1 96038178 JIJQLFRGCAMVHN-UHFFFAOYSA-N 369.472 4.171 0 40 FIAB C[C@@H](N)c1sc(Br)c(Br)c1Br 96525481 NSBXAVICYCLWQN-UWTATZPHSA-N 363.900 4.055 0 40 FIAB CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102661406 UYVCFGHHYPMLSM-HNNXBMFYSA-N 358.442 4.447 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCC[C@@H]1CC 215960429 VRDZNDFQOOMGSS-WMZOPIPTSA-N 366.933 4.268 0 40 FIAB CCCSc1nnc(NC(=O)c2ccc(OCC)c(Cl)c2)s1 222682084 ALRAEBZBQIHUAY-UHFFFAOYSA-N 357.888 4.345 0 40 FIAB Cc1c(Cl)cnc(NC(=S)NC2CCCCC2)c1Br 224037401 APUFDFAUPIALQS-UHFFFAOYSA-N 362.724 4.425 0 40 FIAB O=C(c1conc1-c1ccccc1)N1CCc2cc(Br)ccc21 225869471 KGBIURICKXPMAW-UHFFFAOYSA-N 369.218 4.307 0 40 FIAB CCc1nc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2n1C 225897170 NCWGEYJWLLNQBM-UHFFFAOYSA-N 361.489 4.231 0 40 FIAB c1csc(-c2ccc3nc([C@@H]4CCCN(Cc5ccoc5)C4)nn3c2)c1 306137421 QVXAZCFMWMRMMO-QGZVFWFLSA-N 364.474 4.430 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)NCCCc1cc2ccccc2o1 390831509 SFVYAGNCBFDTMV-UHFFFAOYSA-N 363.866 4.138 0 40 FIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CSc2ccc(F)cc2)C1 575615041 AWKGGQVNROLRLZ-MRXNPFEDSA-N 369.465 4.050 0 40 FIAB Cc1nc(CC2CC2)oc1C(=O)N(C(C)C)[C@@H]1CCCc2cccnc21 606443563 HERAOGUIQRBDHG-QGZVFWFLSA-N 353.466 4.259 0 40 FIAB O=C(CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1)c1cc(F)ccc1F 607761939 ICBLIQPVHHZGHO-UHFFFAOYSA-N 371.412 4.214 0 40 FIAB NC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 1615892572 YKFLWSULTIDADE-FPYGCLRLSA-N 366.642 4.180 0 40 FIAB CC(=O)N(C)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 670895 RPJQMHOYBGNROW-UHFFFAOYSA-N 358.441 4.440 0 40 FIAB CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 1067959 XAPSNYLSUGRKQO-VYKPCIFISA-N 373.537 4.386 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1csc(-c2ccncc2)n1 1397281 JSGPUBGVWVFUIR-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 1431458 BLUDGSLIYPJEHF-UHFFFAOYSA-N 369.248 4.375 0 40 FIAB CCNc1ccc(Br)cc1-c1nc2ccccc2n(CC)c1=O 1512387 GXPZDJTZHQQBBQ-UHFFFAOYSA-N 372.266 4.278 0 40 FIAB CCN(CC)C[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 1671912 CFPGDXVOLYZBLM-QFIPXVFZSA-N 350.462 4.286 0 40 FIAB COc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1 2427194 YOCMGFNXMSXRSF-UHFFFAOYSA-N 365.414 4.115 0 40 FIAB CC[C@@H](C)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2504849 VHZUUIWBAYOCDD-VLIAUNLRSA-N 367.445 4.415 0 40 FIAB COC(=O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)cc1 3310360 YMRHTDVGUCGHFK-UHFFFAOYSA-N 363.200 4.302 0 40 FIAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCCC1 3428197 NMJJSNIOCDVOON-OAQYLSRUSA-N 364.489 4.387 0 40 FIAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(Cl)cc1 3479213 DMBQWAWMUGCFIA-JTQLQIEISA-N 360.822 4.134 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc2ccccn12 3504384 WRRUGHPCBNPRSH-KGLIPLIRSA-N 354.479 4.362 0 40 FIAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2C)ns1 4167455 UFCQLEYPZKRPHK-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2)c1 4659746 UWEDXXMGQBAINP-UHFFFAOYSA-N 374.868 4.133 0 40 FIAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1cccc(Cl)c1 5243586 FCDHADIJZBSCTE-BQYQJAHWSA-N 369.848 4.426 0 40 FIAB COc1cc(-c2nc3ncccn3c2Nc2ccc(C)cc2C)ccc1O 6729146 KIPPXLRQAYQBSL-UHFFFAOYSA-N 360.417 4.471 0 40 FIAB CCc1cccc2c(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)c[nH]c12 6850595 DTSWUMDEFYKFAP-UHFFFAOYSA-N 371.396 4.069 0 40 FIAB Nc1cc(Nc2ncnc3sccc23)ccc1OC(F)(F)C(F)F 6923038 JSUBNGSBIMWPDN-UHFFFAOYSA-N 358.320 4.254 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc(C)oc2C)cs1 7744976 DECWYTNHEQTTIJ-UHFFFAOYSA-N 370.430 4.395 0 40 FIAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1ccc(Br)cc1 7778050 UKBDGLDNWNQVOU-SNVBAGLBSA-N 364.205 4.181 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc1O 7885236 NICHMRAGVCWJBR-OAQYLSRUSA-N 360.413 4.480 0 40 FIAB CCOc1ccccc1NCC(=O)NC(c1ccccc1)c1ccccc1 7974877 LFLIMZDZSREAAD-UHFFFAOYSA-N 360.457 4.403 0 40 FIAB Cc1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 8327835 GXWMOEMPDZYFOQ-UHFFFAOYSA-N 371.487 4.156 0 40 FIAB Cc1c(-c2ccccc2)sc2ncnc(Sc3nnnn3C3CC3)c12 8428055 BDICFHHKHYVEFT-UHFFFAOYSA-N 366.475 4.139 0 40 FIAB Cc1ccccc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 8903577 FRLCLIHJFVSXKO-UHFFFAOYSA-N 354.431 4.422 0 40 FIAB O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9060523 QVJNELZEYKYKJB-MRXNPFEDSA-N 370.250 4.303 0 40 FIAB Cn1cc(/C=C2/CC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 9303349 GWXSIYHRXOLVEF-LCYFTJDESA-N 350.805 4.179 0 40 FIAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc4n3CCCCC4)o2)c1 9592116 KLILZWYJCOEYKU-ZDUSSCGKSA-N 355.467 4.216 0 40 FIAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccc(C)cc1 11860511 RLNYWYZXTCMWGO-UHFFFAOYSA-N 365.223 4.433 0 40 FIAB COc1ccc(-c2cn3c(C(=O)Nc4ccccc4F)csc3n2)cc1 11902751 FJSZMNUZOUCZFF-UHFFFAOYSA-N 367.405 4.463 0 40 FIAB CCn1cncc1CN(Cc1ccc(F)cc1)C1CC(C)(C)NC(C)(C)C1 12147056 WJSBSGWPVRMMHN-UHFFFAOYSA-N 372.532 4.354 0 40 FIAB Cc1c(Br)c(O)c2c(=O)cc3n(c2c1C)CCc1ccccc1-3 12296173 KBPAAENVWPYOKK-UHFFFAOYSA-N 370.246 4.310 0 40 FIAB biogenic Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 12435725 BUJXMAYFGWMKDA-UHFFFAOYSA-N 366.461 4.484 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cn3)nc2c1 12514060 QTYDPJJNZIIMOY-UHFFFAOYSA-N 373.865 4.331 0 40 FIAB aggregator CC(C)c1nn(CN(C)Cc2ccccc2N2CCCCC2)c(=S)[nH]1 12544101 LJUOONGVQVEKMT-UHFFFAOYSA-N 359.543 4.144 0 40 FIAB COc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1OC 12768101 XOWIOASYHZKNSR-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1 12881316 HVLSMTLALKMMKM-LJQANCHMSA-N 371.483 4.019 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc3ncsc3c1)O[C@H](C)C2 12903431 IUPZZVYVVYPGQF-LLVKDONJSA-N 354.431 4.271 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)c(F)c(F)c1F 12969796 HRPORCVIEMCYHV-UHFFFAOYSA-N 353.300 4.014 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 13709698 QVSHXKLHPHPXJW-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCC1 13995782 LKPOJRRBAAGFQL-UHFFFAOYSA-N 366.461 4.064 0 40 FIAB CC[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 14092652 CMLSJDSDXGZUAJ-PBHICJAKSA-N 374.893 4.410 0 40 FIAB CNc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)oc2ccccc12 16189463 CKIUBYKKMXEBCF-UHFFFAOYSA-N 366.461 4.380 0 40 FIAB Cc1cc(=O)n2c(n1)SC[C@H](Sc1ccccc1)[C@@H]2c1ccccc1 16779221 HGXZWQHZFSDANB-HKUYNNGSSA-N 366.511 4.408 0 40 FIAB Cc1cc(C)cc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)c1 16841499 NXGZZCJZBVFHSB-UHFFFAOYSA-N 355.825 4.203 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(-c3nccs3)cc2)cc1OC 17589536 VHHFPSRXEIUNKB-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20737127 QHQNRWVFDODVCQ-INIZCTEOSA-N 366.808 4.375 0 40 FIAB COc1ccc(C)cc1CCNC(=O)c1occc1COc1ccccc1 21407382 NJQSGTTXIYSSHU-UHFFFAOYSA-N 365.429 4.148 0 40 FIAB COC(=O)c1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)oc1C 22018264 PQCMGMIPQIDAGK-IBGZPJMESA-N 362.385 4.146 0 40 FIAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccnc1 22693029 MASFSSKWSMVFDV-CYBMUJFWSA-N 355.825 4.200 0 40 FIAB COc1cccc([C@H]2CCCN2Cc2cc(Cl)c3c(c2)OCCO3)c1 25068886 ISWKOQRTMNGHJG-GOSISDBHSA-N 359.853 4.457 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCCc2csc(-c3ccccc3)n2)c1 27992623 YNHZPWHCIGALQL-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB COc1cc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)c(OC)cc1Cl 32820196 BJPWHQPIROQXQP-GHMZBOCLSA-N 361.825 4.494 0 40 FIAB CCc1ccc(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)cc1 33064002 DUBAHKUDMAFJDR-UHFFFAOYSA-N 366.486 4.271 0 40 FIAB CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 38834352 MIKSYOYJGICRDN-QGZVFWFLSA-N 356.441 4.075 0 40 FIAB COC(=O)c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)ccc1F 40087694 NZKFJXFSKAMNPC-UHFFFAOYSA-N 374.755 4.173 0 40 FIAB CC[C@H](C)NC(=O)Nc1cc(Br)ccc1Br 40104723 JNCVDPVPYPOKHE-ZETCQYMHSA-N 350.054 4.132 0 40 FIAB O=C(Nc1c(F)cccc1F)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 45829469 HNDMPIFVEXHYAJ-AWEZNQCLSA-N 366.367 4.110 0 40 FIAB CCOC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccccc2C)c1C 58181342 JJLHZQPLYRSIHQ-OAHLLOKOSA-N 355.438 4.311 0 40 FIAB C[C@H]1CCCN(CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 58423965 SMIKOISPGCBGMT-ZDUSSCGKSA-N 365.930 4.248 0 40 FIAB COc1ccc(C2(c3nnc(-c4cccc(C)c4)o3)CCOCC2)cc1 71889909 JJDULMGTBHJVIE-UHFFFAOYSA-N 350.418 4.150 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c(F)c1 72406071 GNDLPBFYOZYBPV-AWEZNQCLSA-N 357.410 4.264 0 40 FIAB O=C(NCC1(c2ccccc2)CCOCC1)NC12CC3CC(CC(C3)C1)C2 75170113 PKSLOWSFAGAFQU-UHFFFAOYSA-N 368.521 4.003 0 40 FIAB Cc1nc2ccc(C(=O)N(Cc3cccc(O)c3)CC3CC3)cc2nc1C 84057327 BCUWVDIGJJXEJU-UHFFFAOYSA-N 361.445 4.005 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(CCOc3ccc(C)c(C)c3)s2)cc1 95116432 VQMVDDUACWVDNO-UHFFFAOYSA-N 367.474 4.337 0 40 FIAB CC[C@](Cl)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96520684 PBNDRRSGGLQXSZ-ZWKOTPCHSA-N 352.883 4.167 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718328 QIPCMHPLEUPUKW-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CC[C@H](C[C@H](C)CO)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 107365465 NMPPLROANIGBNY-HQRMLTQVSA-N 357.519 4.433 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 195530641 JQTHEVSJBRFWGI-VRQAJEBUSA-N 360.523 4.067 0 40 FIAB COc1ccccc1CN(C)C(=O)COc1ccc(Cl)cc1Cl 216362288 MCDXRKLTOZYVOQ-UHFFFAOYSA-N 354.233 4.039 0 40 FIAB COc1cc(OC)cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 218896503 QOHRQRYIAKDDBE-UHFFFAOYSA-N 371.433 4.043 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cnc(-c2cccc(F)c2)nc1 222624476 FPSODOHZGLELFI-UHFFFAOYSA-N 357.772 4.197 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccccc2F)c1 222707824 HSLBQUBSAKEFLC-UHFFFAOYSA-N 361.438 4.183 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(C(=O)OC)c1C 222986793 DWSHSYDAWUDBPH-IBGZPJMESA-N 355.434 4.195 0 40 FIAB CCCc1ccc(OCCNC(=O)c2ccc(Br)cc2)cc1 223374600 ASMWMHWGHQMPMC-UHFFFAOYSA-N 362.267 4.210 0 40 FIAB Cc1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)c(C)c1 223732118 UPXCBDHCDKGVTM-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224670559 FNKUOOHRWCDJNC-LJQANCHMSA-N 366.505 4.065 0 40 FIAB CSc1ccc(/C=C/C(=O)NC[C@H](O)c2csc3ccccc23)cc1 225694626 BDBNBBFJXOFUHO-MZEUMTGBSA-N 369.511 4.486 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 225761439 PGGNHLQJVKJDJS-SFHVURJKSA-N 356.491 4.465 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OC)c(Cl)c1 225795753 STSXXPISDFMPCD-GFCCVEGCSA-N 360.841 4.129 0 40 FIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1C 225907392 KSSNWYIGWNOJDR-HXUWFJFHSA-N 366.502 4.119 0 40 FIAB O=C(c1ccccc1SC(F)F)N1CCC(Oc2ccncc2)CC1 245174489 YOWUOSCIXMWHGK-UHFFFAOYSA-N 364.417 4.080 0 40 FIAB O=C(c1ccc(Cl)s1)N1CC[C@H](Oc2cccc3cccnc23)C1 253402719 OOZCEWMLRNETDL-ZDUSSCGKSA-N 358.850 4.243 0 40 FIAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCC(C)C 409202065 YYUUKEQBELENFJ-UHFFFAOYSA-N 355.503 4.464 0 40 FIAB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 409240682 HMHPZOKCLPHXCM-NBVRZTHBSA-N 353.443 4.426 0 40 FIAB Cn1cc(-c2nc(CN[C@@H]3CCCc4sc(Cl)cc43)cs2)cn1 527710428 OUQJDZKIWROYOE-CYBMUJFWSA-N 364.927 4.426 0 40 FIAB COc1ccccc1C1(C(=O)NCc2ccc(-c3ccsc3)o2)CC1 575609806 HLQRDSSYXQTOGL-UHFFFAOYSA-N 353.443 4.365 0 40 FIAB O=C(O)[C@]1(NCc2cnc(-c3ccsc3)s2)CCc2c(F)cccc21 580968039 WDHANKXSJHZGSS-SFHVURJKSA-N 374.462 4.027 0 40 FIAB O=C(C[C@@H]1CCc2ccccc21)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 672205123 VOGMLESWUBPBQX-FCJDFRRUSA-N 361.485 4.138 0 40 FIAB C[C@@H](NCc1cnc(-c2ccncc2)s1)c1ccc(-n2ccnc2)cc1 1650901157 LBPPOHRSQPVQSD-OAHLLOKOSA-N 361.474 4.242 0 40 FIAB CC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 725809 TZQKWZMMZJRUQQ-UHFFFAOYSA-N 357.365 4.482 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 853591 DYBSACWALGDCNL-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB O=C(N[C@H](Nc1ccc(Cl)cc1)C(=O)c1ccccc1)c1cccs1 1013824 BVLRTXNEYYYDMA-SFHVURJKSA-N 370.861 4.452 0 40 FIAB CCOC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 1454613 ZMBNYHODDLRLOK-UHFFFAOYSA-N 373.865 4.243 0 40 FIAB CCCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OC 2059345 BOLAFSIXGWAKMT-ATVHPVEESA-N 351.402 4.137 0 40 FIAB Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 2220023 OLTYJANLPKLDBA-LSDHHAIUSA-N 360.248 4.313 0 40 FIAB COc1ccc(CCNC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 2645311 BDKLUHQAGXSFJV-HNNXBMFYSA-N 362.473 4.274 0 40 FIAB Cc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)sc1C 2732463 GDAHSIODWMFBSG-UHFFFAOYSA-N 371.428 4.278 0 40 FIAB CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)C1CCCCC1 3345368 LBEGUZRVZWTNAX-UHFFFAOYSA-N 365.477 4.142 0 40 FIAB CCOc1ccc2oc(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)c(C)c2c1 3520401 IBAUCWJGKZYMNE-KBPBESRZSA-N 373.449 4.086 0 40 FIAB Cc1ccc2cc(CCNC(=S)Nc3ccccc3Cl)c(=O)[nH]c2c1 4225305 FQEFDQOMXSVMSQ-UHFFFAOYSA-N 371.893 4.019 0 40 FIAB CC(C)c1ccc(C(C)(C)C)cc1S(=O)(=O)NCCc1ccncc1 4623159 USKDCTLNJLRBTR-UHFFFAOYSA-N 360.523 4.024 0 40 FIAB COc1cccc(OC)c1-c1nn2c(-c3cccc(Cl)c3)nnc2s1 5047338 CFDUKNMAGIIHRC-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(F)cc3F)c2=O)c1 5270045 ZZQYLRYALXHXQT-UHFFFAOYSA-N 368.383 4.044 0 40 FIAB COc1ccc(OCC(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1 5972793 YFCVEMRLDSIUPB-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1 6049354 VUTJHAPUWMNQPN-UHFFFAOYSA-N 361.869 4.428 0 40 FIAB O=C1/C(=C/Nc2cccc(O)c2)c2ccccc2C(=O)N1Cc1ccccc1 6452600 LUNDMOSWEVOFSD-KGENOOAVSA-N 370.408 4.028 0 40 FIAB O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1Cc1ccc(Cl)cc1 6509158 FXTMSZJBWSULTA-UHFFFAOYSA-N 362.816 4.004 0 40 FIAB Cc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)n1C 6549598 SRUUOQPAFKGWHE-UHFFFAOYSA-N 366.490 4.075 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 6648742 RBECPGISFNAUTQ-AWEZNQCLSA-N 363.442 4.469 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 7525639 JWWZXQZDFOOKIP-OAHLLOKOSA-N 369.490 4.240 0 40 FIAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1 7709106 CUMSKCZHNSHARJ-UHFFFAOYSA-N 370.396 4.106 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ncc(-c2ccccc2)o1 8036685 IEIANURHHHRBOR-UHFFFAOYSA-N 355.825 4.066 0 40 FIAB O=C(CSc1ccncc1)N1CCC[C@H]1c1nc2ccccc2s1 8131812 FREQELOCQJENEC-HNNXBMFYSA-N 355.488 4.147 0 40 FIAB O=C(CCc1ccc(-c2ccccc2)o1)NCCCn1cnc2ccccc21 8174489 RYYCKQBFYSJJRV-UHFFFAOYSA-N 373.456 4.435 0 40 FIAB Cc1ccc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)s1 8194002 HFVABOAZSHLXCG-UHFFFAOYSA-N 366.471 4.160 0 40 FIAB CCOCCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 8253179 WZOWWMUDAXMZOR-UHFFFAOYSA-N 363.885 4.444 0 40 FIAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1ncc(-c2ccccc2)o1 8519048 OROACCNPQXMQCD-UHFFFAOYSA-N 372.211 4.407 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc1 9318709 HXYSFHZEFOCKIU-OAHLLOKOSA-N 351.381 4.013 0 40 FIAB CC(C)c1ccc(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 10096682 MSXDWZVPKUVNQL-UHFFFAOYSA-N 368.458 4.372 0 40 FIAB CC(=O)Nc1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl 10944976 JWBJVEVUHSBKEV-IBGZPJMESA-N 371.868 4.074 0 40 FIAB Cc1ccc2c(c1)S[C@H](C(=O)NCc1coc(-c3cccs3)n1)C2 11837218 ASNDAOPZFLBPHZ-INIZCTEOSA-N 356.472 4.045 0 40 FIAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1Cc2cc(Cl)ccc2O1 12924591 VNZFTLBYOOUCFY-MRXNPFEDSA-N 369.770 4.021 0 40 FIAB COC(=O)c1ccc(F)c(NC(=O)Cc2coc3cc(C)c(C)cc23)c1 12931619 NUIJVDAFKVQBGF-UHFFFAOYSA-N 355.365 4.157 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 12947062 QBRYQQBCRNHUKO-DOTOQJQBSA-N 354.450 4.284 0 40 FIAB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 13014057 CAPBXTVLDUJZJB-GOSISDBHSA-N 355.507 4.076 0 40 FIAB O=C(Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)N1CCCC1 13714138 JIHKJJATWBGUAR-UHFFFAOYSA-N 366.505 4.006 0 40 FIAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c(C)c1 15577395 DQQWKEYFCGVBFD-UHFFFAOYSA-N 353.397 4.372 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 15608721 QHDWRCALDFTGLT-KRWDZBQOSA-N 368.477 4.321 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1csc(-c2ccccc2)n1 15810183 WWAPPNFUEOUWDX-UHFFFAOYSA-N 352.415 4.224 0 40 FIAB COc1cccc(-n2cnn(CN(Cc3ccccc3)C(C)C)c2=S)c1 16081371 YLXGLZMMNUYNGK-UHFFFAOYSA-N 368.506 4.280 0 40 FIAB COc1cccc(Nc2nc(NCc3ccc(C)cc3)nc3c2cnn3C)c1 17041626 XKXCOPUVXREAJU-UHFFFAOYSA-N 374.448 4.036 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@@H](C)n2ccnc2C(C)C)c2cccnc2)cc1 19136593 IJJOHLAXJREWSS-XLIONFOSSA-N 362.477 4.177 0 40 FIAB CCCn1nc(C)c(-c2cncn2CCCc2ccc(OC)cc2)c1C 19654470 IUJXMPSUUQTXDW-UHFFFAOYSA-N 352.482 4.415 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cc(C(F)(F)F)ccc1Cl 20447691 SDWKLXMENNSFAD-UHFFFAOYSA-N 371.742 4.311 0 40 FIAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCc4ccccc43)n2)cc1 23395334 BRUHQEWQAJFAAC-UHFFFAOYSA-N 361.445 4.382 0 40 FIAB CC(=O)Nc1ccc(F)c(NCc2cc(=O)oc3c(C)c(C)ccc23)c1 26783175 IKBFZVNFTVHJLQ-UHFFFAOYSA-N 354.381 4.119 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)cc1OCC 30852543 VLEKKTSNVLXPJM-IAGOWNOFSA-N 371.477 4.437 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)c1cc2c(F)cccc2s1 31497947 NPWZMHPCCZCQNS-UHFFFAOYSA-N 353.422 4.129 0 40 FIAB O[C@@]1(c2ccccc2)C(N2CCOCC2)=C(c2ccccc2)c2ccccc21 31947467 OJLGLKHAXVIPKQ-RUZDIDTESA-N 369.464 4.028 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 32074289 UKBNLZQUILPPRQ-UHFFFAOYSA-N 358.397 4.079 0 40 FIAB CC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCCC2)cc1 32379683 IDIRNJRFZJXFME-JOCHJYFZSA-N 364.489 4.374 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4cccn4C)cs3)on2)cc1 32577475 FLZLPBKFFATTAJ-UHFFFAOYSA-N 364.430 4.364 0 40 FIAB Cc1ccsc1C(=O)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 32901802 YDQVWGWBYHMGDX-UHFFFAOYSA-N 369.486 4.296 0 40 FIAB CCOc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1C 34924781 XVXWSFBIENXHOH-UHFFFAOYSA-N 363.207 4.188 0 40 FIAB O=C(NCc1ccco1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849023 HMXCGMPMTSQLJJ-CQSZACIVSA-N 367.276 4.115 0 40 FIAB Cc1cc(CNC(=O)c2ccc(F)cc2Br)c2ccccc2n1 40088558 PDCLOJOEVBTVSU-UHFFFAOYSA-N 373.225 4.375 0 40 FIAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2C)cc1F 51317705 DEBRIHADIDZVAV-UHFFFAOYSA-N 366.440 4.077 0 40 FIAB CN(Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)Cc1ccco1 57363096 BDZYHNGYUOLUJD-UHFFFAOYSA-N 369.421 4.016 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1(c2ccccc2)CCC1 58269399 FUAHWFXPPCLDLX-UHFFFAOYSA-N 373.500 4.286 0 40 FIAB CO[C@H](C)c1cccc(NCC(=O)Nc2ccccc2Br)c1 58394002 DNXFKQCMXCCICO-GFCCVEGCSA-N 363.255 4.207 0 40 FIAB Cc1ccc(-c2ncc(C(=O)NCCc3csc(C)n3)s2)c(C)c1 58417336 RZNXXQMCWRTJSX-UHFFFAOYSA-N 357.504 4.164 0 40 FIAB CC1(C)C[C@H](NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)CCO1 61721996 DBRNPFMLIQKUQI-HXUWFJFHSA-N 362.473 4.377 0 40 FIAB COc1cccc(-c2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)c1 72350079 SJHMZHKCXYMPGT-SFHVURJKSA-N 352.478 4.116 0 40 FIAB Brc1cnc(Nc2ccc3c(c2)OC2(CCCCC2)O3)nc1 78582913 TZCVRZSPSQBWJM-UHFFFAOYSA-N 362.227 4.414 0 40 FIAB COc1cc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)ccc1SC 78736710 PZSSXMLQHOSXEJ-GOSISDBHSA-N 370.518 4.045 0 40 FIAB COc1ccc(COCCCC(=O)N2CCC[C@H]2c2ccccc2)cc1 89658674 GTEYSJGADLPVPL-NRFANRHFSA-N 353.462 4.356 0 40 FIAB Oc1ccc(C2=CCN(C[C@H](O)c3ccccc3C(F)(F)F)CC2)cc1 89813217 RTMMJPZGBKRMEO-IBGZPJMESA-N 363.379 4.234 0 40 FIAB Cc1ccc(/C=C/S(=O)(=O)NCc2sc(-c3ccco3)nc2C)cc1 90593528 QYOJRASGYFFCFU-PKNBQFBNSA-N 374.487 4.110 0 40 FIAB C[C@H](Cc1ccc(Cl)cc1)NC1CCN(C(=O)OC(C)(C)C)CC1 91690157 HWHPYWASMUAAAZ-CQSZACIVSA-N 352.906 4.260 0 40 FIAB CCCNC(=O)CCCC(=O)O[C@@H](C(F)(F)F)C(C)(C)c1ccccc1 95458087 PTBRQWWDTPSCRS-QGZVFWFLSA-N 373.415 4.135 0 40 FIAB CC(C)(c1cccnc1)c1nc(-c2cccc(CN3CCCCC3)c2)no1 95469314 GSNYUBFTHXCDCC-UHFFFAOYSA-N 362.477 4.443 0 40 FIAB O=C(C[C@H]1OCCc2ccsc21)n1cccc/c1=N\C1CCCCC1 100807689 OKOHTBXUZDBQMF-STIUTOJCSA-N 356.491 4.127 0 40 FIAB CC(=O)c1ccc(C(=O)/N=c2\sc3c4ccccc4ccc3n2C)cc1 100842147 AVWNUXKIUGWDEC-DQRAZIAOSA-N 360.438 4.337 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 101276855 BKQUNHSWADFBHE-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB Cc1ccc(Nc2nn3c(O)cc(C)nc3c2NC(=O)c2ccccc2)cc1 112579841 DWKXCJQFPDOCQM-UHFFFAOYSA-N 373.416 4.048 0 40 FIAB CCSc1ccccc1C(=O)NCc1ccc([C@@H](O)c2ccco2)s1 206684374 WEGQYJUWPKHAHJ-SFHVURJKSA-N 373.499 4.465 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COC(C)C 224431774 YVAYTRSNGHHQMV-KRWDZBQOSA-N 355.478 4.371 0 40 FIAB CCc1ccc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)cc1 225814589 ZYUAMHMASUFILH-UHFFFAOYSA-N 352.463 4.094 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 242894060 GNSBOCSXEYJZNV-IBGZPJMESA-N 364.489 4.420 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2ccnc3ccccc23)C1 257310536 UFMDHSDFJDKWJZ-OAHLLOKOSA-N 351.475 4.095 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccc(OC)c3OC)N21 260762661 HAARGAYJLMNQEX-XWIAVFTESA-N 369.490 4.078 0 40 FIAB O=C(Sc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1 408531969 PHYZPZJEBZNEBJ-UHFFFAOYSA-N 361.220 4.432 0 40 FIAB O=C1N/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Cl)cc1 409172686 GCPLFNQEZWTEST-NTEUORMPSA-N 366.726 4.456 0 40 FIAB Cc1cc(NC(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cc2n[nH]cc12 501381907 OKDROJVHGVDBDF-LLVKDONJSA-N 356.376 4.301 0 40 FIAB C[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc(-c2ccncc2)cc1 532247339 KXGYCSUDGRKXGC-OXQOHEQNSA-N 362.452 4.212 0 40 FIAB CCN(CC)Cc1ccc(C(=O)NCCc2c[nH]c3c(Cl)cccc23)o1 629884095 VNMYSJUGGURHHU-UHFFFAOYSA-N 373.884 4.229 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)nc1 1615124433 XCYITIJNOVXJBT-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB O=C(N[C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)c1cnn2c1NCCC2 1627354535 MAJYMNDFSKCMEK-AEFFLSMTSA-N 372.900 4.198 0 40 FIAB CC(C)c1noc2ncc(C(=O)Nc3nc(-c4ccccn4)cs3)cc12 11811517 MAHYGLLSTPCBKH-UHFFFAOYSA-N 365.418 4.117 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4174503 OYYMXLGCTSMBBM-LLVKDONJSA-N 359.451 4.464 0 40 FIAB Cc1cccc(N2CCN(C(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)CC2)c1 102118413 HRUHUVDNVDLDHT-NFAVZRQZSA-N 372.940 4.221 0 40 FIAB Fc1ccc(C2=C[C@@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 102170760 ZWOZBXQQMCDUPT-INIZCTEOSA-N 360.314 4.492 0 40 FIAB CCCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 4861139 BBKRIQKZZPPIPC-UHFFFAOYSA-N 374.441 4.208 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ncccc3C)o2)cc1C 6044946 PMSQXWFWDWAJRU-UHFFFAOYSA-N 365.458 4.394 0 40 FIAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 6341753 JYWRXCCRKHPQIC-UHFFFAOYSA-N 366.442 4.339 0 40 FIAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccccc1 6495902 SPJKBJJKIILPFD-GZTJUZNOSA-N 363.394 4.030 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(F)cc2)ns1 11913863 OLMTVASVHFSIBU-UHFFFAOYSA-N 363.801 4.015 0 40 FIAB C[C@H](c1cccs1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 10518973 XEGJJMLKFAIWQZ-SNVBAGLBSA-N 365.398 4.028 0 40 FIAB COc1ccc(-n2nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 8335557 IMQKCWTZEZYJJT-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB COc1cc(OC)c([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1OC 102727626 FKMLMTHVWXTYJV-GOSISDBHSA-N 370.405 4.223 0 40 FIAB C[C@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)C(C)(C)C 2782297 NDVDSKBVZJRMMI-VIFPVBQESA-N 365.827 4.374 0 40 FIAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2)ccc1Br 670511 IGCQTKFWNZHPDO-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1C 20609712 WIJXHDJWGVZHFG-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc(F)cc1F 28235208 XXAXGHWJOKKEBQ-SSDOTTSWSA-N 367.705 4.342 0 40 FIAB Cc1nc(COc2ccc(C(=O)NCCc3cccs3)cc2)cs1 23483836 ZYHUPCSQSHVMPH-UHFFFAOYSA-N 358.488 4.065 0 40 FIAB C[C@H]1C[C@@H](C)CN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)C1 12584595 BOIRPHWCNBBKHF-CALCHBBNSA-N 360.457 4.294 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(N2CCCCC2)cc1 10165650 MFTBQCVTTXFKFW-UHFFFAOYSA-N 366.461 4.019 0 40 FIAB c1ccc2c(-c3nn4c(CN5CCCCCC5)nnc4s3)cccc2c1 57524591 NVVTWULIRKRFMZ-UHFFFAOYSA-N 363.490 4.382 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc2ccccc12 3238827 MXMILSLUXSJIEF-UHFFFAOYSA-N 369.804 4.297 0 40 FIAB CC1CCN([C@@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CC1 10216972 IPJKGMSJBOUDHU-KRWDZBQOSA-N 361.486 4.482 0 40 FIAB CCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccc(C)cc1C2(C)C 2128062 MTHPSJXMLNEZBU-OTOIZHKDSA-N 362.473 4.031 0 40 FIAB biogenic C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(Cl)c1N(C)C 58305006 BVHYZUKLXFXGOW-BBRMVZONSA-N 353.894 4.123 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 10469510 OPPBDPIJCANYJL-IERDGZPVSA-N 369.461 4.213 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 12762493 ICYUQOBXYYNGFW-UHFFFAOYSA-N 366.461 4.263 0 40 FIAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccncc1 12775541 LDMGSPFGXZMESB-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cc2cccc(C)c2nc1Cl 4275556 GXDVASTWKAXZBA-INIZCTEOSA-N 353.809 4.487 0 40 FIAB Cc1ccc2c(COC(=O)c3ccc(Cl)c(N)c3)cc(=O)oc2c1C 6422022 YVVUPHLLMGCOHD-UHFFFAOYSA-N 357.793 4.002 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 6436054 XIWDWYSGWXQUJG-LAPQFRIASA-N 356.466 4.425 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCSc3ccccc32)cc1 6610218 ONJCXCGRBSGVKE-IBGZPJMESA-N 369.486 4.402 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 5676680 DKUCGEIGNIIYAO-IHWZXDPASA-N 353.915 4.223 0 40 FIAB CCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OC 6892240 KWARVOUCHGWNNR-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 20492516 HFEQFMRHTVGCQV-LJQANCHMSA-N 368.477 4.239 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/Sc1ccccc1 7117658 RJTPKKFVDCFNBZ-DBTPVHCXSA-N 364.474 4.093 0 40 FIAB COc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1F 7921547 DCTHWIIWFBMTND-UHFFFAOYSA-N 350.802 4.279 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)N[C@H](C)c3ccccc3)ccc2c1 7926599 IUIMTVOALSFDNI-QGZVFWFLSA-N 362.473 4.158 0 40 FIAB COc1ccc([C@@H](CNC(=O)CCc2cccs2)N2CCCCC2)cc1 8037395 VPTOPCNGQJZLQD-HXUWFJFHSA-N 372.534 4.033 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(Cl)cn1 27977250 HMRFKNIDRRWTMC-UHFFFAOYSA-N 354.841 4.109 0 40 FIAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(SC)cc2)C1=O 9585618 QWKAJHCVNMHYQA-IBGZPJMESA-N 374.893 4.419 0 40 FIAB O=C(c1ccoc1)N1CCC(NC2(Cc3ccccc3)CCCC2)CC1 95939191 AJONNDVAELPNKI-UHFFFAOYSA-N 352.478 4.029 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 170569333 XGRVOMDNPOIYGC-UHFFFAOYSA-N 362.433 4.488 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 408628890 XPVPPVFLIJVBSN-UHFFFAOYSA-N 367.518 4.366 0 40 FIAB O=C(NCCOc1cccc(Cl)c1)c1ccc(CSC(F)F)o1 36395592 TVONLFVXZCEAJF-UHFFFAOYSA-N 361.797 4.198 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 32902952 VOGRLTKQCYFLBY-UHFFFAOYSA-N 370.880 4.492 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 219044309 GEMOKLLTWOYPEH-MSOLQXFVSA-N 363.457 4.499 0 40 FIAB CCc1ccc(OCCS(=O)(=O)Nc2cc(Cl)ccc2C)cc1 70637864 IUUAGIFSEATKRH-UHFFFAOYSA-N 353.871 4.032 0 40 FIAB CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 34896217 FNQXUDAOHQMDLA-ZROIWOOFSA-N 362.838 4.236 0 40 FIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(O)c(Cl)c3)N21 222664610 QMDJNMDWJTVICD-AFAVFJNCSA-N 359.882 4.420 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 44883709 WEOARKPUNKCPCM-VXKWHMMOSA-N 359.425 4.041 0 40 FIAB COc1ccc(NC(=S)NCCCc2cccc(C)c2)c2cccnc12 225394527 MNPBXKGIGKANTG-UHFFFAOYSA-N 365.502 4.471 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223937726 SNBGECZCSCFCEM-INIZCTEOSA-N 353.447 4.310 0 40 FIAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 222921506 AJPSROUARXTGKI-GOSISDBHSA-N 369.461 4.187 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(OC)c1 222993470 AVXQXJBIEVFGKL-OAQYLSRUSA-N 355.478 4.218 0 40 FIAB Cc1ccc(C)c(CC(=O)NCc2cccc(CN3CCCCC3)c2)c1 224681133 DSTKKZCDXGSISL-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222709756 FBPVGBXZEBHOKB-HOTGVXAUSA-N 369.461 4.226 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc2ccccc2c1 223621392 XUCOUXHIGGIJEM-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB CO[C@H](CNC(=O)c1nc2ccccc2s1)c1cc2ccccc2o1 253472864 QDULQBNIOPQJCL-MRXNPFEDSA-N 352.415 4.160 0 40 FIAB Cc1nccc(N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)n1 257206869 BFGMTLIISIKVIW-UHFFFAOYSA-N 366.440 4.061 0 40 FIAB Cc1cccnc1N1CCC2(CC1)CC(=O)N(Cc1ccc(Cl)cc1)C2 95503476 BXGBGAMIHIVGCE-UHFFFAOYSA-N 369.896 4.063 0 40 FIAB Cc1cnn([C@@H]2CCN(C(=O)NCC3(c4cccs4)CCCCC3)C2)c1 633889084 VNRCMYGDCQWXIT-QGZVFWFLSA-N 372.538 4.112 0 40 FIAB Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)nn1 1128318421 JTTBXMMHXHSRTK-DOTOQJQBSA-N 358.461 4.050 0 40 FIAB COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)cccc1C 661053018 ZSEOHCGPQIWMHF-AEFFLSMTSA-N 353.466 4.315 0 40 FIAB CC(C)c1ccc(CCc2nc(N3CCC[C@H]3C)ncc2C(=O)O)cc1 585268723 QSLTZWANTDSVNH-OAHLLOKOSA-N 353.466 4.072 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)CCc3ccco3)CC[C@@H]2N1c1ccc(F)cc1 1615119042 HDOPYWQSWGYQOO-UZLBHIALSA-N 370.468 4.257 0 40 FIAB Cc1nc2cc(N[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)ccc2o1 12532771 MBKBILBKYGFTOW-VIFPVBQESA-N 354.435 4.224 0 40 FIAB COc1ccccc1C(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 12792088 ZBUKONFIHCIVGM-LBPRGKRZSA-N 360.866 4.487 0 40 FIAB CCCNC(=S)Nc1cccc2c(NC(=S)NCCC)cccc12 16678223 CHLPRNSVDJWODW-UHFFFAOYSA-N 360.552 4.233 0 40 FIAB CCSc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1O)N2 17072734 YKABHOULXLPVOA-MRXNPFEDSA-N 350.447 4.152 0 40 FIAB COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(CC4CCCCC4)[C@H]23)cc1 19019345 DWLUXXUURVRIMV-DNVJHFABSA-N 370.537 4.054 0 40 FIAB Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1 19118670 KSHCNKCGRROBKZ-UHFFFAOYSA-N 368.481 4.427 0 40 FIAB CC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)no1)c1c(C)nn(CC)c1C 19655942 CZBUHYVQCXFGTQ-INIZCTEOSA-N 370.428 4.195 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 6851054 VWZCNLAZEHKBHE-ZUZCIYMTSA-N 355.290 4.402 0 40 FIAB Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2c(C)cccc2C)CC1 35289072 NQGNNZPKSPTLHV-UHFFFAOYSA-N 365.477 4.038 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2N2CCCCC2)cc1 22978677 VCIDMIMKNINEGY-INIZCTEOSA-N 354.450 4.092 0 40 FIAB Cc1cc(C)nc(NC2CC3(CCN(Cc4ccc(F)cc4F)CC3)C2)n1 2056226378 QCVAKUDCUCKLDM-UHFFFAOYSA-N 372.463 4.228 0 40 FIAB COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(C)c3)s2)cc1 4392485 BBDLIMJZKJVJKY-UHFFFAOYSA-N 366.486 4.408 0 40 FIAB COc1cc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc(OC)c1OC 4330963 YSTYGWMVZQVPAH-UHFFFAOYSA-N 372.446 4.191 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)C2CCCCC2)c1 4585379 NSUXKQPWUNDSLZ-UHFFFAOYSA-N 361.445 4.213 0 40 FIAB O=C(c1ccccc1OC(F)(F)C(F)F)C(F)(F)Br 575360449 HKPYXPMQKLAEFS-UHFFFAOYSA-N 351.040 4.094 0 40 FIAB O=C(c1ccc2nccnc2c1)N1CCS[C@H](c2ccccc2F)CC1 219122104 DGNHELNXNWSCHN-IBGZPJMESA-N 367.449 4.089 0 40 FIAB CN(C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1cc2ccccc2o1 575621398 NZWFLFYCTWXIIC-GOSISDBHSA-N 366.436 4.023 0 40 FIAB COc1cccc2sc(Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)nc12 4137635 VAPJXWYHOOANBS-VIFPVBQESA-N 373.503 4.334 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21 5737751 QVLBIELGWKAICH-UHFFFAOYSA-N 370.836 4.413 0 40 FIAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)Nc1nncs1 40039479 AQWWMZDWOBMCEG-UHFFFAOYSA-N 366.421 4.397 0 40 FIAB C/C(NCc1ccc(Cl)cc1Cl)=C1/N=C(c2ccccc2)OC1=O 20032595 GKDZZXIEPGYEHI-WJDWOHSUSA-N 361.228 4.318 0 40 FIAB CCOc1ccc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cc1 40118762 YPNYIYPQMZWZMV-FQEVSTJZSA-N 363.461 4.396 0 40 FIAB CC(=O)NCCc1ccc(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)cc1 31800376 WULWIKCKROTBLH-OAQYLSRUSA-N 366.505 4.273 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(C)cc2)NC(=S)N1 641298 UBWZUCXHWNTKSY-IBGZPJMESA-N 365.502 4.043 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1C 648326 ADYIMPWWVDKTHH-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 842020 GXYZPRKXMHEHHK-ZKKFKWFVSA-N 365.432 4.257 0 40 FIAB biogenic COc1cccc(-c2csc(NC(=O)COc3ccccc3C)n2)c1 937587 YMBULCWBJPJAKD-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB COc1ccc2c(c1)O[C@H](c1cc(Cl)cc3c1OCOC3)[C@H](C)C2=O 940972 JQPMWDLFVQEUQQ-MGNBDDOMSA-N 360.793 4.168 0 40 FIAB Cc1nnc2sc(-c3ccc(NCc4ccc(Cl)cc4)cc3)nn12 1004740 OFFLOQXAZVHPSK-UHFFFAOYSA-N 355.854 4.427 0 40 FIAB O=C(Nc1cccn(Cc2ccccc2Cl)c1=O)NC1CCCCC1 1354079 GKSNDEOSQDLXNY-UHFFFAOYSA-N 359.857 4.004 0 40 FIAB CCC(=O)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359586 QNSPRELINDUXDL-UHFFFAOYSA-N 354.475 4.145 0 40 FIAB C[C@H](OC(=O)CCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 1981429 WSQRVMJJSNYQBF-LBPRGKRZSA-N 366.244 4.496 0 40 FIAB CSCC[C@H](N)c1nnc(SCc2c(Cl)cccc2Cl)o1 2432302 HMDYECZOFRLYHN-NSHDSACASA-N 364.323 4.422 0 40 FIAB CCCOC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2448716 UVKBAXOICCSPBM-UHFFFAOYSA-N 352.438 4.239 0 40 FIAB CC(C)c1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1 2722882 FMNRQZLJTDIWMK-UHFFFAOYSA-N 363.442 4.285 0 40 FIAB Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nc1-c1ccc(F)cc1 2737980 HZCIMJLAYGKQHT-UONOGXRCSA-N 362.426 4.087 0 40 FIAB O=C(CSc1nc(-c2ccccc2Cl)ns1)NC1CCCCC1 3007339 LBWBIRHZQVNPJS-UHFFFAOYSA-N 367.927 4.400 0 40 FIAB CC(C)(C)NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 3442616 IPNCAEHGPLAGJG-UHFFFAOYSA-N 360.262 4.280 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1c[nH]c2ccccc12 3512868 KDBSRVMCKGCTTH-UHFFFAOYSA-N 360.369 4.171 0 40 FIAB CC[C@@H](C(=O)N[C@H](CC(=O)O)c1ccc(OC(C)C)cc1)c1ccccc1 3624679 MYIWNIXDOMVDLE-WOJBJXKFSA-N 369.461 4.300 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)c1 4690979 XELFOAKWMWTVQC-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB CCSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 5240730 HXMUMDLNRUIVPO-NSHDSACASA-N 374.531 4.336 0 40 FIAB Cc1ccc2cc3c(NC(=O)c4ccccc4Cl)nn(C)c3nc2c1 5500205 LUGNKPJKZHRIGP-UHFFFAOYSA-N 350.809 4.336 0 40 FIAB c1ccc(Nc2nnc(SCc3nnc(-c4ccco4)o3)s2)cc1 6559480 NIZYWRUWCNNQSE-UHFFFAOYSA-N 357.420 4.217 0 40 FIAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c1 7928912 KTEHBNQJLRTPSC-IBGZPJMESA-N 359.425 4.415 0 40 FIAB CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 8527892 CMYJNOQRMXBZNV-CYBMUJFWSA-N 361.894 4.382 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)cc1 8722859 PXDAVNYKXLGVTC-OAQYLSRUSA-N 369.461 4.385 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)c(C)c1 9513051 JQRZHEGHBZPCIF-UHFFFAOYSA-N 372.266 4.308 0 40 FIAB Cc1cc(C(=O)OCc2c(F)cccc2Cl)c2cnn(C(C)C)c2n1 10204815 MFEXHBZYBNJSFV-UHFFFAOYSA-N 361.804 4.470 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cc(Cl)ccc1Cl 10677238 NWBTYNIENFJXQA-INIZCTEOSA-N 356.274 4.423 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)cc3)ccc21 10972353 YIWKCVPJEHXGBQ-UHFFFAOYSA-N 352.434 4.019 0 40 FIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12901280 DFSIVIJKXPBXTF-AWEZNQCLSA-N 366.442 4.419 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NCc1coc(-c2cccs2)n1 14141397 VBCPXRURBRNABG-UHFFFAOYSA-N 351.431 4.133 0 40 FIAB Cc1cccc(NC(=O)NC(=O)COc2cccc(C(F)(F)F)c2)c1C 16581931 KSHZXMJZFNNJID-UHFFFAOYSA-N 366.339 4.049 0 40 FIAB CC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CC(C)(C)C 19017889 QZHWQVCRMFUPTP-KCZVDYSFSA-N 370.537 4.208 0 40 FIAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(CC(C)C)C1 19236807 GWFOARLPBFFKPW-DENIHFKCSA-N 365.521 4.229 0 40 FIAB Fc1cccc([C@H]2N3CCC4(CC3)c3[nH]c5ccc(F)cc5c3CCN24)c1 19293678 BRKCCGOMQFSXOI-NRFANRHFSA-N 365.427 4.308 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)C[C@@H](C)O3)c(OC)c1 19497935 FLWLIZFFOYEUMO-KUHUBIRLSA-N 367.445 4.005 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2c(C)nc3c(C)cccn23)cc1 19716784 YIHOUMLFQOSEQN-IBGZPJMESA-N 363.461 4.327 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 20456878 WRVJGZKVYSRKMB-FQEVSTJZSA-N 368.477 4.177 0 40 FIAB Cc1ccc(N2C(=O)N(CN3CCC[C@@H]3c3cccs3)C(=O)[C@@H]2C)cc1 23762394 NSKCLTIBZJTVGZ-DOTOQJQBSA-N 369.490 4.008 0 40 FIAB O=C(NCc1ccc(OC(F)F)cc1)c1cccnc1Oc1ccccc1 24353969 ORAROQMIIJZAMC-UHFFFAOYSA-N 370.355 4.405 0 40 FIAB O=C(CSc1ncc2ccccn12)Nc1ccccc1C(F)(F)F 24794524 FJYUNGCJZZJOPE-UHFFFAOYSA-N 351.353 4.084 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2cccs2)cc1C 28403548 OGSDIHBVRVAIHA-OAHLLOKOSA-N 355.463 4.016 0 40 FIAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)ccc1Br 30854382 HTLBQFZCSCUOER-GFCCVEGCSA-N 366.230 4.153 0 40 FIAB Nc1c(C(=O)Nc2ccccc2F)sc2nc(-c3cccnc3)ccc12 38151506 MNZYLPINBRBBFE-UHFFFAOYSA-N 364.405 4.332 0 40 FIAB c1ccc(-n2cc(CN(Cc3cccs3)C[C@H]3CCCO3)cn2)cc1 40024170 GCZPITQAIABAJH-LJQANCHMSA-N 353.491 4.115 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)Nc1cccc(Cl)c1Cl 40097532 VTHATOBRWWPNBL-ZDUSSCGKSA-N 361.175 4.127 0 40 FIAB CC(C)c1ccc(OCCNC(=O)CCCc2nc(C(C)(C)C)no2)cc1 40121728 WHPJNWJXTXKXAU-UHFFFAOYSA-N 373.497 4.008 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCC(C)CC3)c12 40128650 ONKILSFKSHKWLR-UHFFFAOYSA-N 356.514 4.490 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 44515837 AQGKLFHMQJFRNE-GOEBONIOSA-N 356.853 4.197 0 40 FIAB CCN(CC)C(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 48234137 ZAWIASJIUORQMD-UHFFFAOYSA-N 362.429 4.155 0 40 FIAB CCCNC(=O)[C@@H]1Cc2cn(CC3CC3)c3cccc(c23)[C@H](CC(C)C)N1 49171558 SWFYHRVMAQWAHY-PMACEKPBSA-N 367.537 4.179 0 40 FIAB biogenic,in-vitro COc1ccc2[nH]cc(C3CCN(C[C@@H](O)c4cccc(F)c4)CC3)c2c1 60039660 SZMVBCMOVIBEKD-JOCHJYFZSA-N 368.452 4.229 0 40 FIAB O=C(OCc1cn2ccccc2n1)c1c[nH]cc1-c1ccc(Cl)s1 62513320 FWXONPCNZWPIBF-UHFFFAOYSA-N 357.822 4.401 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2ccc(Oc3ncccn3)cc2C)s1 65481849 SAPOLFKFMDLDDV-UHFFFAOYSA-N 369.450 4.006 0 40 FIAB O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358459 VNFZWILSCFBLDP-SFHVURJKSA-N 361.420 4.303 0 40 FIAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)C2CCC2)n1 72376992 XZSWYLXJIJRJQB-QGZVFWFLSA-N 370.884 4.233 0 40 FIAB Cc1cc(C(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)c(C)o1 77200344 NUNHXLWZZCQCIW-IRXDYDNUSA-N 374.412 4.325 0 40 FIAB COCCn1cc(CC(=O)Nc2nc(C(C)(C)C)cs2)c2ccccc21 79501643 BUOPDXVARIBCMH-UHFFFAOYSA-N 371.506 4.223 0 40 FIAB C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 84640473 FOQBTTQVWOFURQ-LBPRGKRZSA-N 364.367 4.347 0 40 FIAB COc1ccc(NC(=O)c2cnn(CC(C)C)c2C2CC2)c2cccnc12 92238120 YKUJVVXUVLBXHS-UHFFFAOYSA-N 364.449 4.226 0 40 FIAB O=C(NCC1(CO)CCCCC1)Nc1cccc(COCc2ccco2)c1 95964378 HRMXPECGFWOJPC-UHFFFAOYSA-N 372.465 4.061 0 40 FIAB CC[C@](Cl)(C(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96518428 FBJCMDYDFAZDNV-GOSISDBHSA-N 350.867 4.316 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)c(OC)c1 97165226 HDJCBHSAKASLAD-GOSISDBHSA-N 358.825 4.055 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 97632512 NAFISLZINBYCSH-SMDDNHRTSA-N 365.886 4.177 0 40 FIAB ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H]4O[C@@H]4C[C@H]3[C@@]1(Cl)C2(Cl)Cl 100353278 VMNNMBZKONGDDQ-YATAIJOHSA-N 354.875 4.235 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NC1(c2ccc(Cl)cc2)CC1 101085540 CWXDVRZWDNEKHR-SNEKZUEESA-N 359.897 4.167 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc3ccccc3c2)c1 222835152 BYSPNPWLHLZVML-UHFFFAOYSA-N 363.413 4.342 0 40 FIAB COc1cc(C)c(S(=O)(=O)NCc2ccccc2Cl)cc1C(C)C 223612846 IWCBDTFZIHSKNI-UHFFFAOYSA-N 367.898 4.259 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1C 224394459 ATIZDLCIVDVZHQ-RBUKOAKNSA-N 366.465 4.045 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(Cl)cc1 224470091 IUMWYTMSZKPPIM-SFHVURJKSA-N 361.869 4.309 0 40 FIAB CCOc1ccc(C(=O)NCCSCc2ccc(C)cc2)cc1OCC 225059353 APRJXXDJMKDOKB-UHFFFAOYSA-N 373.518 4.456 0 40 FIAB CCCc1ccc(OCCNC(=O)COc2cccc3c2CCCC3)cc1 225194013 GGNPCJYNHZUTSF-UHFFFAOYSA-N 367.489 4.092 0 40 FIAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NC1CCCCC1 225324206 QGHAPRQPGGWTMG-FQEVSTJZSA-N 374.525 4.051 0 40 FIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225622681 DFEBPPGMRODSPQ-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB O=C(NCc1ccnc(-c2ccncc2)c1)c1cccc(C(F)(F)F)c1 390826060 AOKHXRAITIABGH-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409246840 FFIYFDGPTIAYTG-QGOAFFKASA-N 370.474 4.167 0 40 FIAB Oc1nc(CN(Cc2ccc(F)cc2)C2CCOCC2)cc2ccccc12 585082887 GJXAGGGFLAZIKM-UHFFFAOYSA-N 366.436 4.261 0 40 FIAB C[C@@H]1OCC[C@@]12CN(C(=O)Nc1cc(Cl)ccc1C(C)(C)C)CCO2 670053810 CFIWVRKVGSXKQK-ORAYPTAESA-N 366.889 4.049 0 40 FIAB O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2ncccc12 803243 QDVKWSZNLMNYSB-UHFFFAOYSA-N 361.184 4.492 0 40 FIAB Cc1csc(-c2cc3ccc(OC(=O)c4ccco4)cc3oc2=O)n1 1322639 SOPBNKAOFRYIJF-UHFFFAOYSA-N 353.355 4.037 0 40 FIAB biogenic COC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1cccc(OC)c1 1322889 SEPPYJRJOIKRMF-SFHVURJKSA-N 361.397 4.011 0 40 FIAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccccc1 1378899 HKDQLLSSZBTEHN-UHFFFAOYSA-N 355.394 4.095 0 40 FIAB O=C1S[C@@H](Nc2ccccc2Br)C(=O)N1c1ccccc1 1516289 NTSAMQATWIBDFT-CYBMUJFWSA-N 363.236 4.087 0 40 FIAB O=C(OCCCOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1609748 XXVLEKQHSJKZEG-UHFFFAOYSA-N 353.201 4.397 0 40 FIAB COc1ccccc1-c1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4 2358669 DEOCDDPVWPATJT-NSHDSACASA-N 350.447 4.139 0 40 FIAB COc1cccc2cc(C(=O)O[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(=O)oc12 2707832 QUDRNXUTQSASJD-CQURBHOASA-N 356.418 4.173 0 40 FIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OC[C@H]2CCCO2)cc1 3415254 VSMCSKGVBGNRCZ-TZIWHRDSSA-N 351.446 4.052 0 40 FIAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1Cl 3489451 JCMQHNYDHMYIKF-JTQLQIEISA-N 367.829 4.370 0 40 FIAB CC1CCN(C2CCN(Cc3cccc(Br)c3)CC2)CC1 4746388 PPZQMCGQAXLKLH-UHFFFAOYSA-N 351.332 4.145 0 40 FIAB CCc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 4806145 DZRGXBFOXPFGAA-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)OCC)cc1 4866049 GOBPOBCVPRFTON-KRWDZBQOSA-N 372.387 4.345 0 40 FIAB CCc1ccc(-c2nnc(SCC(=O)c3ccccc3OC)[nH]2)cc1 5178539 CLKRSHAHFVOVNP-UHFFFAOYSA-N 353.447 4.018 0 40 FIAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3CC(C)C 5477757 KMAPSZBWNBFTEF-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(NC(=O)C(C)C)c1 5960658 GOGLBQQUVXNMQA-UHFFFAOYSA-N 360.841 4.260 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3cc(C(C)C)no3)o2)c1 6587589 JYZLLFMHFAZZJE-UHFFFAOYSA-N 372.450 4.196 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc(Br)cc1 6602897 MFXCBBUKOZCLKK-LBPRGKRZSA-N 365.246 4.047 0 40 FIAB CN(Cc1ccccc1)c1cnn(Cc2ccc(Cl)cc2)c(=O)c1Cl 6662712 OBRMAEFYEHWDSS-UHFFFAOYSA-N 374.271 4.235 0 40 FIAB Cc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(Cl)cc3)c(=O)n12 6721353 ZKNPHYYCVHMBMS-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1F 7448941 MLQCIMUKRGJERK-UHFFFAOYSA-N 360.860 4.395 0 40 FIAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)o1 7745191 MRNYMWQJAYHXLR-JTQLQIEISA-N 356.205 4.387 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882473 QDMOEVWZZKUEJP-GOSISDBHSA-N 372.424 4.034 0 40 FIAB CC(C)(C)N1C[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1=O 8218927 IJQHWBWROUARGH-QMMMGPOBSA-N 363.672 4.232 0 40 FIAB CCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 8227136 OWIIRTQUAAYMEG-UHFFFAOYSA-N 368.246 4.285 0 40 FIAB Cc1cccc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C 8673512 RDOPRJWRGNRDIA-UHFFFAOYSA-N 364.445 4.230 0 40 FIAB COc1cc(Cl)c(NC(=O)COc2c(C)cc(C)cc2C)cc1OC 8734554 SNNIVJZQIVSZGR-UHFFFAOYSA-N 363.841 4.300 0 40 FIAB C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(Br)cc1 8750054 XEDDWPZLPDHQDO-CYBMUJFWSA-N 361.283 4.002 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC2(N(C)C)CCCCC2)c1 8830900 MJVMAUDRTHLCDV-SFHVURJKSA-N 360.542 4.266 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)c1ccc2nc(-n3cccc3)sc2c1 8992736 ZDSYSDQANKQWJB-UHFFFAOYSA-N 359.414 4.216 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 10489624 PQBKCZUADHWCBW-JTQLQIEISA-N 367.207 4.124 0 40 FIAB C[C@H](Sc1nncs1)c1nc(-c2cccc(C(F)(F)F)c2)no1 10774277 UAGCDXMQPBKJPP-ZETCQYMHSA-N 358.370 4.460 0 40 FIAB O=C(COc1ccc(Cl)cc1)N(Cc1cccs1)c1ccccn1 11915036 QSCSXGMAGIASOS-UHFFFAOYSA-N 358.850 4.409 0 40 FIAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@@H](c2cccc(Cl)c2)CC3=O)n1 12321614 TXOOAYFTVZCVDU-OAHLLOKOSA-N 366.852 4.154 0 40 FIAB Cc1ccc(C(C)C)c(OCc2nnc(C)n2-c2ccccc2C(=O)O)c1 12447329 CVHNXERKCXZAQL-UHFFFAOYSA-N 365.433 4.285 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1F 12558903 OVLDYLSDPWGNAV-AWEZNQCLSA-N 359.420 4.394 0 40 FIAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(Br)c1 12561591 ZBBNHCYFAGIBQI-LBPRGKRZSA-N 359.267 4.377 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCCN(C)c1ccccc1 12612611 CGFIOALLIFXXCW-UHFFFAOYSA-N 369.465 4.124 0 40 FIAB O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1Cl 12846840 BHLIZPFOBYIWHI-INIZCTEOSA-N 356.274 4.423 0 40 FIAB CN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)[C@@H]1CCCc2ccccc21 12982340 UVIXLXRWFMXMBY-GHTZIAJQSA-N 362.473 4.114 0 40 FIAB Cc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)oc2ccc(F)cc12 13013396 RYLQPLJTNFMYCE-UHFFFAOYSA-N 366.436 4.275 0 40 FIAB COc1ccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)cc1 18230169 DJLAOWOOJWLVGB-RCCKNPSSSA-N 370.408 4.335 0 40 FIAB Fc1ccccc1N1CCN(Cc2csc(-c3cccs3)n2)CC1 18903971 RIZZJEZFNBOQJB-UHFFFAOYSA-N 359.495 4.333 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)Nc3c(C)ccc4cccnc34)c(C)n2n1 19234330 STQNMXAKKRZOGN-UHFFFAOYSA-N 373.460 4.082 0 40 FIAB O=C([C@H]1CCCO1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19336623 BREQBHAORUJQFT-QZTJIDSGSA-N 358.413 4.103 0 40 FIAB C[C@H](OC(=O)Cc1ccccc1F)C(=O)Nc1cccc2ccccc12 22047839 JNDHWRIIHQZLDK-AWEZNQCLSA-N 351.377 4.092 0 40 FIAB CCN1CCC[C@H]1CNCc1cccc(NC(=O)c2ccccc2Cl)c1 23303150 RXAFXGBWGRWNEC-SFHVURJKSA-N 371.912 4.166 0 40 FIAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 23898424 DSKZLMGTYCCZBX-JOCHJYFZSA-N 371.436 4.131 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccc(Cl)cc2)CC1 24746832 LQJYVDYVPFLCNH-UHFFFAOYSA-N 371.864 4.206 0 40 FIAB O=C(Nc1ccccn1)c1cccnc1Nc1cccc(C(F)(F)F)c1 27994196 CFJTXLLJJADQIE-UHFFFAOYSA-N 358.323 4.491 0 40 FIAB CC(=O)c1ccc(NC(=O)c2ccn(COc3ccccc3Cl)n2)cc1 28239330 BUPPCJMWBLNGQO-UHFFFAOYSA-N 369.808 4.028 0 40 FIAB Cc1ccc2nc(CSCc3cc(-c4ccccc4)no3)cc(=O)n2c1 30524256 TUGPPVNNPWZZKV-UHFFFAOYSA-N 363.442 4.091 0 40 FIAB C[S@@](=O)c1ccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1 33215973 BHVLJGHZIJNGSX-VWLOTQADSA-N 356.447 4.115 0 40 FIAB CCn1cc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)cn1 36613323 RMYKSSNDLBHBKL-UHFFFAOYSA-N 353.373 4.052 0 40 FIAB O=C(CCSc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 38678029 HELDGIFTYIDTSX-UHFFFAOYSA-N 366.486 4.107 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCc2ccccc21 41095863 RRPUTDQIBAODMS-UHFFFAOYSA-N 365.882 4.189 0 40 FIAB CSc1ncccc1C(=O)N(Cc1ccsc1)Cc1ccccn1 44445981 IFCSAOSCSPIUKW-UHFFFAOYSA-N 355.488 4.103 0 40 FIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 44844897 YZNUWFXKFWHRDQ-MRXNPFEDSA-N 355.478 4.467 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)o1 46368648 STRKGPJNGSAPJF-MDZDMXLPSA-N 368.820 4.103 0 40 FIAB Cc1cccc(C(=O)OCc2nc(-c3ccc(Br)cc3)no2)c1 51315193 YLRBGFLMXVLBNU-UHFFFAOYSA-N 373.206 4.165 0 40 FIAB CCCc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)s1 57145235 JNQUZCQUAQYELW-UHFFFAOYSA-N 365.886 4.012 0 40 FIAB COc1ccccc1[C@H](C)NCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 58163993 CZAMWNDPIXAQRG-RCRSHMOFSA-N 370.537 4.067 0 40 FIAB COc1ccc(CCCNC(=S)Nc2ccccc2Cl)cc1OC 64936499 SYLKCGAQWZWERB-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4Cl)no3)o2)cc1F 65185425 NYFPMBZYWOOTNK-UHFFFAOYSA-N 370.771 4.478 0 40 FIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccn(-c2ccccc2)n1 65474400 SPRMMULDVCTETM-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB CCN(CC)CCn1c2ccc3c(c2c2c4c(ccc21)C(=O)CC4)CCC3=O 68202913 WBNDUJWRJNLCBD-UHFFFAOYSA-N 374.484 4.394 0 40 FIAB Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)N(C)C2CCCCC2)C1 72084135 UNZDIVFKZQTDKJ-MRXNPFEDSA-N 363.933 4.449 0 40 FIAB CCN(CC1CCN(C(=O)c2cccc(C)c2C)CC1)C(=O)OC(C)(C)C 72305507 PQUVAMGCYXVMKW-UHFFFAOYSA-N 374.525 4.413 0 40 FIAB Cc1cc([C@]2(c3ccc(C)c(O)c3)C(=O)N(C)c3ccccc32)ccc1O 78502946 AFODVFFYBYIWDP-HSZRJFAPSA-N 359.425 4.025 0 40 FIAB COc1cc([C@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)ccc1O 95478832 YWCVDAPYNXAVAI-GOSISDBHSA-N 367.430 4.011 0 40 FIAB O=C(CSCc1ccccn1)N1C[C@H]2CCCC[C@]21c1ccccc1 95965533 PBDMWNPJCCICHW-NQIIRXRSSA-N 352.503 4.243 0 40 FIAB CC(C)(C)C1=N/C(=C\c2sc(N3CCCCC3)nc2Cl)C(=O)O1 96310827 IJSUFVLYUACSQI-KTKRTIGZSA-N 353.875 4.129 0 40 FIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1OCC)C2 100424156 GNZXPUPDECYQNH-IAGOWNOFSA-N 361.555 4.167 0 40 FIAB CN(C)c1ccc(-c2nc3n(c2NC(C)(C)CC(C)(C)C)CCNC3)cc1 100473367 YAGGEPKTCHJKPG-UHFFFAOYSA-N 369.557 4.346 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102271486 SDYXFMCBGHBTQS-VZYKRBATSA-N 368.477 4.425 0 40 FIAB Cc1nc(S[C@@H]2CCCCNC2=O)n([C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 105885698 QIMUCSTUKMZDOE-KFGODFMUSA-N 361.555 4.258 0 40 FIAB CCOc1ccc(/C=C(\Sc2n[nH]c(CC)n2)C(=O)O)c2ccccc12 213402715 SRCUZVMFEZNPBB-WJDWOHSUSA-N 369.446 4.137 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1cccc(C)c1 216298320 VERBNPNNLBBNQX-FQEVSTJZSA-N 373.518 4.211 0 40 FIAB CCOc1ccc(CCCNC(=O)CSCc2ccc(F)cc2)cc1 219261611 HNOOTEWEDLXUBH-UHFFFAOYSA-N 361.482 4.207 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCCCN1CCCc2ccccc21 219316352 UFHUIIYXBRVMNS-NRFANRHFSA-N 366.505 4.112 0 40 FIAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222904424 NMIWFUZGFLUWBE-GJZGRUSLSA-N 351.928 4.425 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C(F)(F)F)c1 223155693 GWJJFXGNPICVFL-KRWDZBQOSA-N 367.367 4.188 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)SCc2ccccc2)s1 223195165 IRMMEDJYTXGIRG-NSHDSACASA-N 353.538 4.301 0 40 FIAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 224388202 KTHROIKMKZNSCK-IAGOWNOFSA-N 355.463 4.459 0 40 FIAB CCCCOCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OC 224439862 KETXXENBTLEKMQ-UHFFFAOYSA-N 355.434 4.467 0 40 FIAB COc1ccc(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225178618 HKJWXLPLZMWQFO-UHFFFAOYSA-N 370.474 4.142 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NCc1cccnc1-c1ccsc1 225648348 KQHTXGBNYUUIBJ-UHFFFAOYSA-N 357.866 4.463 0 40 FIAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 225671850 SSPSMPACPVFOGS-JOCHJYFZSA-N 374.525 4.085 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225777679 HMIHVMLSLWVZAF-HZPDHXFCSA-N 353.462 4.219 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253614062 YVCQLADPAZVQRJ-RDADAIOCSA-N 374.521 4.155 0 40 FIAB O=C(c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257254061 KBJRDNCQRKZEAM-MRXNPFEDSA-N 371.437 4.228 0 40 FIAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OC(C)C)OCC[C@@]31C2 257259955 LATIOAGSBWWTRS-DDRMBWNKSA-N 371.521 4.492 0 40 FIAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1O 260780994 SDASVQUPKJLZAI-ZOCIIQOWSA-N 369.490 4.165 0 40 FIAB COc1ccccc1Oc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1 408623424 TXUZAQPUVIQRBS-UHFFFAOYSA-N 362.381 4.490 0 40 FIAB CCCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)c(O)c1 408625526 DTRNRDLGFCRBID-UHFFFAOYSA-N 369.446 4.122 0 40 FIAB OC[C@H](CNCc1ccc2occc2c1)Cc1ccc(Br)cc1 511784328 FZTYPGAPLJRFNN-INIZCTEOSA-N 374.278 4.136 0 40 FIAB O=C(C/C=C/c1ccccc1F)N1CCC(CCCn2ccnc2)CC1 542180834 JGFNRTSCDQYDSC-XVNBXDOJSA-N 355.457 4.145 0 40 FIAB O=C(NCC[C@@H](CCO)c1ccsc1)c1csc(-c2ccccc2)n1 575618695 BASYWIMNQGZSHG-AWEZNQCLSA-N 372.515 4.158 0 40 FIAB CC1(C)Cc2n[nH]cc2CN(C(=O)Nc2ccc(OC3CCCC3)cc2)C1 585098438 SSIRVUGXFXVNQZ-UHFFFAOYSA-N 368.481 4.348 0 40 FIAB C[C@@H](Oc1cccnc1NC(=O)NC[C@H]1CCOC1(C)C)c1ccccc1 666744272 VQNYTVSYOHEHBZ-NVXWUHKLSA-N 369.465 4.158 0 40 FIAB C[C@]1(c2ccccc2)CCCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 1170194364 MJJLBTLOHMKXHE-QHCPKHFHSA-N 363.457 4.442 0 40 FIAB CCOc1ccc2nc3sc(C(=O)N4CCCCC4)c(N)c3cc2c1 917089 AKTSFZXNESRFJW-UHFFFAOYSA-N 355.463 4.057 0 40 FIAB CN(C(=O)CSc1ccccc1N)c1nc(-c2ccccc2)cs1 929788 CZVOLSJFOIGNGX-UHFFFAOYSA-N 355.488 4.147 0 40 FIAB Cc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2C)cc1Cl 51317819 COJRDMBQEADRPF-LBPRGKRZSA-N 372.831 4.168 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3csc(-c4ccco4)n3)c2)n1 32024931 MNFAGYZOOHTZCS-UHFFFAOYSA-N 362.414 4.421 0 40 FIAB CCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2ccccc2C)s1 1345273 HWUOCHSXAFKHDM-UHFFFAOYSA-N 367.474 4.118 0 40 FIAB COc1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cc1OC 2465886 ZMRWSXOGPFXESQ-GFCCVEGCSA-N 358.438 4.095 0 40 FIAB COC(=O)c1ccccc1NCCC(=O)c1ccc(Cl)c(Cl)c1 3148417 SCDIAMJQAZOPRO-UHFFFAOYSA-N 352.217 4.465 0 40 FIAB Cc1cc(Cl)ccc1OC(=O)CSc1ccc2c(c1)OCCO2 20914448 NDZLNRXFQUTNJQ-UHFFFAOYSA-N 350.823 4.117 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1 32817991 MSMCYAIYRMZZSN-NTEUORMPSA-N 374.440 4.235 0 40 FIAB Cc1cccc([C@H]2C3=C(O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)c1 102585880 GXVJGAFAWRCNIU-VFNWGFHPSA-N 372.428 4.357 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NCc1cccnc1Oc1cccc(F)c1 32924758 LYMSYQPAMHJPNL-HNNXBMFYSA-N 366.392 4.097 0 40 FIAB COc1ccc(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 8117424 RVCRBLGQGKHGPE-MRXNPFEDSA-N 361.850 4.155 0 40 FIAB COc1cc(OC)c(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 683165 NLQRJDPHGJJDRA-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB O=C(CSCc1nc2ccccc2s1)N1CCc2sccc2C1 22597248 JJPOTOOBKCFVJZ-UHFFFAOYSA-N 360.529 4.176 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(C)c1 812053 MOCUTTVGCHVUDW-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB O=C1S[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 970007 FSESHNVOMJSIQO-ZDUSSCGKSA-N 352.337 4.343 0 40 FIAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)n1 47318276 WGCQSERYDICIID-UHFFFAOYSA-N 373.334 4.016 0 40 FIAB COc1ccc(OCCNc2nc(C(F)(F)F)nc3ccccc23)cc1 16685423 HVUCOIKNOXPZFW-UHFFFAOYSA-N 363.339 4.148 0 40 FIAB CCN(CC)c1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1 1471403 PLPRIZMVZUBKHI-UHFFFAOYSA-N 353.535 4.031 0 40 FIAB Cc1cc(C)c(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1 12578350 OFURDOXBHRBTAX-IBGZPJMESA-N 363.461 4.231 0 40 FIAB O=C(CN1CCCc2ccccc21)Nc1cc(C2CC2)nn1-c1ccccc1 12522328 GKKCHOWGYWZRDO-UHFFFAOYSA-N 372.472 4.141 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 58137677 RADNGQKRKNQDLX-LBPRGKRZSA-N 363.889 4.467 0 40 FIAB CC(=O)c1c(C)cc(C)c(CNc2ccccc2CC(=O)N(C)C)c1C 58160127 QSFLEHMEMHRSBT-UHFFFAOYSA-N 352.478 4.057 0 40 FIAB Cc1cc2oc(C(=O)Nc3ccccc3Br)cc(=O)c2cc1C 27664613 JDEVERLSYOSOPN-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(F)cc1 10386095 DQPMMMVYDRTIHB-UHFFFAOYSA-N 369.787 4.360 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2Cn2c(C)nc3ccccc32)c1 12541289 YBYOCKDQBCEQEQ-LJQANCHMSA-N 351.450 4.157 0 40 FIAB COc1ccc(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 2253213 ZYHKWDNXTVQWKE-UHFFFAOYSA-N 370.412 4.491 0 40 FIAB COC(=O)c1sc2nc(C)nc(NCc3cc4ccccc4[nH]3)c2c1C 58544107 KLHGVLAUGORPMO-UHFFFAOYSA-N 366.446 4.188 0 40 FIAB O[C@@H](CNC1CCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296785 PDBDDHQOGOEVIT-INIZCTEOSA-N 360.929 4.457 0 40 FIAB Cc1cc(C)n2c(SCC(=O)c3ccc(C(C)(C)C)cc3)nnc2n1 3223268 GDQILFAXHANQMZ-UHFFFAOYSA-N 354.479 4.014 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC)c(OC)c1 3374250 GGIPNZMHMXCFCD-AWEZNQCLSA-N 371.433 4.013 0 40 FIAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 12731754 KYNCNDCQFNBRJV-BEFAXECRSA-N 354.475 4.154 0 40 FIAB COc1ccccc1C[C@@H]1CCCN1Cc1ccn(-c2cccc(F)c2)n1 64569557 MAKBSLYIZDLBBZ-FQEVSTJZSA-N 365.452 4.227 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCCC[C@H]3C)c12 13641918 RLUVIXJIOKHRTC-GFCCVEGCSA-N 353.397 4.352 0 40 FIAB Cc1cccc(N2CCN(c3nc(C)nc4c3oc3ccccc34)CC2)c1 5159889 RQZTXCYKLRMXKX-UHFFFAOYSA-N 358.445 4.319 0 40 FIAB COc1ccc([C@@H]2CCCCCN2[C@@H](C(=O)N(C)C)c2ccccc2)cc1 14086434 RUSDDNLWWJTBFF-FCHUYYIVSA-N 366.505 4.442 0 40 FIAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)N[C@H](C)c1ccccc1 14169057 OEZCCLSENQVBJN-LLVKDONJSA-N 365.449 4.218 0 40 FIAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(C)c1-c1ccc(F)cc1 409206001 LKJMMNQINYMRHS-XDOYNYLZSA-N 370.449 4.205 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(F)cc3)cs2)cc1 8984245 HRYNVJUNZOTZDA-CYBMUJFWSA-N 370.449 4.378 0 40 FIAB C[C@H]1CSC(N(C(=O)c2cn3ccccc3n2)c2ccc(Cl)cc2)=N1 6650496 PGJTYLVVPXSASC-LBPRGKRZSA-N 370.865 4.126 0 40 FIAB O=C(c1cccnc1SC1CCCC1)N1CCN(c2ccccc2)CC1 69947075 UEOOLSKLZBKIBO-UHFFFAOYSA-N 367.518 4.079 0 40 FIAB O=C(COc1ccccc1F)N1CCC[C@H]1c1nc2ccccc2s1 8761812 YREZMKGAKMPJEQ-HNNXBMFYSA-N 356.422 4.178 0 40 FIAB CC[C@@](C)(NCCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 5961127 MVGBZVBZQSAEHQ-OAQYLSRUSA-N 366.513 4.117 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2ncccc12 15979588 PGOJNMQPMZRZAQ-GFCCVEGCSA-N 371.234 4.403 0 40 FIAB COc1ccc(NC(=O)c2cc3ccccc3o2)cc1-c1ccc(CO)o1 20139670 OEVDONPABFVGFA-UHFFFAOYSA-N 363.369 4.446 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccccc1 9637844 FNWXEHAZCRNDSM-QFIPXVFZSA-N 355.441 4.022 0 40 FIAB COc1ccc(Br)cc1CNc1ccccc1-n1ccnc1 95350744 ZZTPTEHUIGIFMP-UHFFFAOYSA-N 358.239 4.256 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccccc1)c1ccccc1 62714358 BWGNETXADKIVKD-CIPTZOQDSA-N 371.436 4.039 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1cccc(F)c1 408615838 SUXSBGRMKLXJRU-UHFFFAOYSA-N 366.367 4.147 0 40 FIAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 408810625 MLQZSIJAWUXVBR-UHFFFAOYSA-N 373.841 4.110 0 40 FIAB CCc1ccc(CN(C)C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 36874494 DVFRAPOOZLMYGZ-QFIPXVFZSA-N 362.473 4.172 0 40 FIAB COc1ccc(-c2nnc3n2N=Cc2cc4cc(C)ccc4nc2S3)cc1 33900717 HRMCRIJUIYRVJY-UHFFFAOYSA-N 373.441 4.157 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cc(F)ccc2F)cc1 36357095 AGIGUPBERKWKED-HNNXBMFYSA-N 355.344 4.283 0 40 FIAB O=C(COc1ccc(Br)cc1)Nc1cccc(-c2cnco2)c1 48205284 UNQNJMGKICYDKP-UHFFFAOYSA-N 373.206 4.122 0 40 FIAB CCOc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 224372370 QCQSDJMHZPVEOH-UHFFFAOYSA-N 371.824 4.027 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 225820126 NZIVEKZUFXTBOK-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222735426 VVYVHDCNABHSBB-QFBILLFUSA-N 369.461 4.109 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccccc2OC)cc1 222892222 MKILDIHWTYKBCH-HXUWFJFHSA-N 355.478 4.164 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc3c(c1)OCO3)CC(C)(C)O2 222653480 VEYAZUGOAPBVTB-KRWDZBQOSA-N 367.445 4.075 0 40 FIAB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2ccccc2c1 225050762 PCARSHMLZXWNOV-UHFFFAOYSA-N 371.458 4.072 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 224977604 CUOJYPZDGLTVDO-WOJBJXKFSA-N 364.533 4.380 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(SC(C)C)s1 225433166 HRVUSMVKWBPNFO-GFCCVEGCSA-N 351.497 4.143 0 40 FIAB Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)n1-c1nccs1 97285937 RCUKRKLDSSPZTB-OLZOCXBDSA-N 371.428 4.402 0 40 FIAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3cccc(C)c3)n2)cc1 98212225 DGEGFUKSXVIJAN-GOSISDBHSA-N 363.417 4.031 0 40 FIAB O=C(N1CCCCC1)C(F)(F)Sc1cccc(Br)c1 256053692 SLLWUJUVOLECLT-UHFFFAOYSA-N 350.228 4.147 0 40 FIAB CSCc1cnc(CNC[C@@H]2CCO[C@H]2c2ccc(F)cc2)s1 601156074 QTPMOHHJYLTBEH-GUYCJALGSA-N 352.500 4.013 0 40 FIAB c1ccc(CCSCc2nnc3sc(-c4ccccc4)nn23)cc1 1772491219 ROQJIIKBOBLECW-UHFFFAOYSA-N 352.488 4.329 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(C)[C@H](C)c1ccccc1 44142016 BZXMPYONMRWHIQ-QGZVFWFLSA-N 365.477 4.456 0 40 FIAB Cc1nc(CC(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cs1 48333122 JIWYOMMDGVGNHB-UHFFFAOYSA-N 361.467 4.128 0 40 FIAB Cc1cc(OCCCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl 5556903 WBJQFHKYWGMBEM-UHFFFAOYSA-N 361.825 4.217 0 40 FIAB COc1ccc2nc(S[C@H](C(=O)N3CCCC3)c3ccccc3)[nH]c2c1 5185393 GFBJKMZHYYCEQI-SFHVURJKSA-N 367.474 4.027 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)c1 5359991 QHORHNCFZRIBPC-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CCn1c([C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n[nH]c1=S 5445064 LXVQRHIRXADRNC-GFCCVEGCSA-N 373.309 4.394 0 40 FIAB Cc1cccc(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)n1 11701363 LLKJMMQZRFNIII-UHFFFAOYSA-N 372.428 4.177 0 40 FIAB Cc1ccsc1CN(Cc1nc2ccccc2n1C(C)C)C[C@@H](C)O 12147042 OUYPQYYFRWUURB-MRXNPFEDSA-N 357.523 4.370 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14004491 FXVGRAXPEGVULI-QGZVFWFLSA-N 366.461 4.109 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14399799 UYYBKZCRWYOUGS-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB COc1ccc([C@H]2CCCCCN2CC(=O)NCc2ccc(F)cc2)cc1 15105586 DMJFEPKFVJZFKH-OAQYLSRUSA-N 370.468 4.068 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)c(OCC)c1 5464789 XOJCCIHUANXRQD-PDGQHHTCSA-N 351.402 4.137 0 40 FIAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1F 5381918 BQOXJHGYJGJOML-CQSZACIVSA-N 368.408 4.200 0 40 FIAB CC(C)CC(=O)Nc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 5859326 PYGIADSQORHABF-UHFFFAOYSA-N 372.538 4.400 0 40 FIAB COc1cccc2cc(C(=O)NCc3ccc(-c4c(C)noc4C)o3)oc12 1889229702 GCVQBZFEJVZTNN-UHFFFAOYSA-N 366.373 4.236 0 40 FIAB Cc1nc(C(C)(C)C)nc(O)c1C(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C 1142870996 VEWLNJNAEXSOFN-GJZGRUSLSA-N 361.530 4.370 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)NC3CCCCC3)co2)cc1 31424476 MQFPIZQDLRDFMG-UHFFFAOYSA-N 360.479 4.032 0 40 FIAB CC(C)COC(=O)NC1CC2(CCN(Cc3ccc(F)cc3F)CC2)C1 2056225662 XBDNFKLPBDTAPW-UHFFFAOYSA-N 366.452 4.092 0 40 FIAB CC(=O)c1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1 2603019 COOBNJAEUNNGJF-UHFFFAOYSA-N 365.458 4.212 0 40 FIAB CCc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2)cc1 2723035 NGNJPFLBRMUNII-UHFFFAOYSA-N 351.475 4.474 0 40 FIAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1COc2ccccc2O1 3262830 UWDNSOVVQRHYHA-HXUWFJFHSA-N 371.396 4.008 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cc1 4276085 WBQQNSWDVSGHQD-UHFFFAOYSA-N 370.217 4.366 0 40 FIAB CC(C)C(=O)NC(Nc1ccccc1Cl)(C(F)(F)F)C(F)(F)F 5293714 XMZSOVGWRSJREA-UHFFFAOYSA-N 362.701 4.345 0 40 FIAB CCCC(=O)N(Cc1ccccn1)c1nc2c(OCC)cccc2s1 5264889 VMGQFNRKYSSLBF-UHFFFAOYSA-N 355.463 4.423 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2O1 7453561 LUBHFEJJZGIJNW-UHFFFAOYSA-N 365.351 4.436 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 15162869 FVNDZHBOQAXKLV-WAYYCVMKSA-N 355.743 4.060 0 40 FIAB Cc1c(C(=O)N2CC3(CC(c4ccccc4)C3)C2)cnn1-c1ccccc1 1775970815 RPEHATHOMMITFP-UHFFFAOYSA-N 357.457 4.201 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2nc3ccc(OC)cc3s2)cc1 1565486 ZLJNILWPDOTKOC-UHFFFAOYSA-N 371.418 4.126 0 40 FIAB CCCC(=O)c1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2 100748921 UYAINZPIPHVQDV-UHFFFAOYSA-N 351.789 4.376 0 40 FIAB biogenic COc1ccc(-c2cc3ncnc(N[C@@H](C)[C@H]4CCCO4)c3s2)cc1 31526886 IQGTXRJGOQYWJB-BLLLJJGKSA-N 355.463 4.346 0 40 FIAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1 929297 PIEZPTYAEXKRLG-VBKZILBWSA-N 369.490 4.030 0 40 FIAB O=C(O)c1ccccc1C(=O)NCC[C@H](c1ccc(F)cc1)c1ccco1 1305381 NJRTVPNWIAJGMF-MRXNPFEDSA-N 367.376 4.069 0 40 FIAB CCCCc1cc(=O)oc2cc(OCC(=O)c3cccc(OC)c3)ccc12 2194687 WRSRLCLXHATYOG-UHFFFAOYSA-N 366.413 4.406 0 40 FIAB Cc1ccc(C)c(OCCSc2nnc(-c3ccc(F)cc3)n2C)c1 2656480 VXWQLQJJLVGNJX-UHFFFAOYSA-N 357.454 4.409 0 40 FIAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C[C@@H]1CCCO1 3052082 MPRVEJAWGLMAKP-INIZCTEOSA-N 370.449 4.007 0 40 FIAB Cc1ccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 3093634 ZJPNFTAFRZVRSC-UHFFFAOYSA-N 357.365 4.015 0 40 FIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)NCC(C)C 3292404 SGHTZIOPEJPKSP-AWEZNQCLSA-N 374.506 4.164 0 40 FIAB Cc1cccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)C(C)(C)N3C2=O)c1 4029807 UMCXLSCKQMNPGB-SFHVURJKSA-N 359.429 4.105 0 40 FIAB biogenic O=C(c1ccc(F)cc1)N1CCN=C1SCc1c(F)cccc1Cl 4120159 PDPQPMMWPQGRAJ-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 4278857 NIAHIFCITHWKSZ-UHFFFAOYSA-N 358.463 4.338 0 40 FIAB Cc1ccccc1CS[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 4500471 YMWWHCYXTVINEC-QGZVFWFLSA-N 370.518 4.092 0 40 FIAB Cc1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1C 5269362 RSQLWPFUGZXYET-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CCOC(=O)c1cc2cc(-c3c(C)oc4cc(O)ccc4c3=O)ccc2o1 5444392 FZNGXCQXQMBDMG-UHFFFAOYSA-N 364.353 4.397 0 40 FIAB biogenic CCCOC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 5611331 AHBKJKQMWJDUJL-UHFFFAOYSA-N 353.205 4.208 0 40 FIAB C[C@H](NC(=O)CCCCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 5721787 XDJKYKRUABZEIO-ROUUACIJSA-N 352.478 4.302 0 40 FIAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 6168956 TXDBXZIMRBAUDZ-ACCUITESSA-N 355.434 4.235 0 40 FIAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3ccccc3)cc2)cc1 6479896 ZNYSXWUATGOUMV-UHFFFAOYSA-N 366.438 4.188 0 40 FIAB COc1ccccc1OCc1ccc(-c2n[nH]c(=S)n2CC(C)C)o1 6616487 GJTDVKWQSWIHSD-UHFFFAOYSA-N 359.451 4.444 0 40 FIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1OC 6652146 RDBSSJQWTZMZGU-NSHDSACASA-N 368.260 4.431 0 40 FIAB Cc1ccc(OCc2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)cc1 6711140 NWFOTHKHWZNZHQ-UHFFFAOYSA-N 373.865 4.321 0 40 FIAB COc1cccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)c1OC 6866180 ZGBNNNKNPGVULI-GDNBJRDFSA-N 357.793 4.010 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 7381637 XRVPIYHNRUGFQS-HXUWFJFHSA-N 366.505 4.036 0 40 FIAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(Cl)c(Cl)c1 7645207 YDQJOSDLLXXATF-UHFFFAOYSA-N 366.244 4.427 0 40 FIAB COc1cc2c(cc1NC(=O)CCN1CCSC1=O)oc1ccccc12 8113836 NFQHOXJUKCMEKD-UHFFFAOYSA-N 370.430 4.092 0 40 FIAB CN(CC(=O)NCc1ccc(Cl)cc1)Cc1ccc2ccccc2c1 8127334 LNIPYRUBUOTYTB-UHFFFAOYSA-N 352.865 4.241 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1 8230113 IRUWBXPFYTZZMU-UHFFFAOYSA-N 369.471 4.016 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2cc(Cl)ccc2C)n1 8476790 QFVQKWVWQFKLDO-UHFFFAOYSA-N 372.831 4.175 0 40 FIAB COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccccc4)c3ncn2n1 9061278 PPZFLGAUYIAHEL-UHFFFAOYSA-N 369.428 4.361 0 40 FIAB O=C1C[C@H](c2ccc3ccccc3c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 9065605 JSCNZACIOUHFCP-GOSISDBHSA-N 367.408 4.064 0 40 FIAB CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nnc1-c1cccs1 9450821 USEANLXRZWWFIH-CQSZACIVSA-N 359.476 4.033 0 40 FIAB C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCCC1=CCCCC1 9483134 LTQDJZVVHUFIPS-CYBMUJFWSA-N 374.485 4.098 0 40 FIAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccc4c(c3)CCC4)ccc(F)c21 9549276 VXKKXEJLWHNWNA-LBPRGKRZSA-N 353.393 4.022 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)cc1 9913347 AULRVZLOKWHANR-HXUWFJFHSA-N 368.477 4.177 0 40 FIAB C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cn1 11713984 AKSGVUHARYCGIB-SNVBAGLBSA-N 373.762 4.115 0 40 FIAB O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)[C@H]1CC=CCC1 12739165 LHFJKQPLACMYOG-VQTJNVASSA-N 373.456 4.493 0 40 FIAB NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 12820342 BJMXOEYSDINZKO-SOFGYWHQSA-N 368.742 4.110 0 40 FIAB O=C(NC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccccc2F)o1 12921195 SRXVOUJHNWLSQP-CQSZACIVSA-N 366.392 4.057 0 40 FIAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 12994269 GVJNRJQNYBLFOU-ZDUSSCGKSA-N 371.868 4.249 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 14097401 KSDCUWPMZFNJHV-UHFFFAOYSA-N 372.490 4.133 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 14188388 HFOLZWFKQUWYDK-LBPRGKRZSA-N 368.260 4.428 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 15154175 IALQZCSRVPWXJQ-SFHVURJKSA-N 373.452 4.482 0 40 FIAB Cc1ccc(Cl)c(O[C@H](C)c2nn3c(=O)c4ccccc4nc3s2)c1 17076172 AAPVZAQPAYHGTI-LLVKDONJSA-N 371.849 4.406 0 40 FIAB O=C(COc1ccc(C2SCCS2)cc1)N1CCc2ccccc2C1 19169760 QAZDKQDXVNFOEZ-UHFFFAOYSA-N 371.527 4.129 0 40 FIAB Cc1ccc(CC(=O)N2CCC[C@H]2c2nn(C)cc2-c2ccncc2C)cc1 19209535 SPTDPBNVHXNTQO-NRFANRHFSA-N 374.488 4.005 0 40 FIAB Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H](Cc3ccccc3)C2)c1 19288206 LKIDJKBJZCSGKL-NRFANRHFSA-N 373.500 4.335 0 40 FIAB COc1ccc(-c2[nH]c3ncccc3c2CN(C)Cc2ccncc2)cc1 19586601 AXYZDZNPSXNAPG-UHFFFAOYSA-N 358.445 4.266 0 40 FIAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(C(=O)O)c1O 20137060 LANAWDQWCCNCFM-UHFFFAOYSA-N 361.397 4.169 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 20722792 HLFISSGDOSZDSK-DENIHFKCSA-N 364.489 4.360 0 40 FIAB O=C(COc1cccc2ccccc12)OCc1cn2cc(Cl)ccc2n1 21370071 RXLGLRDYUQHOIT-UHFFFAOYSA-N 366.804 4.263 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)c1 22515995 MFWJRPRPQLHPME-LBPRGKRZSA-N 364.239 4.172 0 40 FIAB CCN1CCC[C@H]1CNCc1cn(Cc2ccccc2)nc1-c1ccccc1 23248924 IQZVAIKLSVCURN-QHCPKHFHSA-N 374.532 4.172 0 40 FIAB CCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)c1 27989277 RMHGVMCBPROFCT-SFHVURJKSA-N 358.507 4.104 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccsc1 28021295 VBBVVPVKFMVYHX-UHFFFAOYSA-N 356.447 4.204 0 40 FIAB Nc1nc2c(s1)[C@@H](c1ccccc1OCc1ccccc1)CC(O)=N2 32074033 VVIYPYDGPNQEIO-CQSZACIVSA-N 351.431 4.428 0 40 FIAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccccc1Cl 33933221 QLYLOCVNBLUHJB-SXGWCWSVSA-N 374.849 4.066 0 40 FIAB Cc1ccc2[nH]cc(-c3nc(-c4ccc(OC(C)C)cc4)no3)c(=O)c2c1 35592665 GTLFKZQNLUOANE-UHFFFAOYSA-N 361.401 4.341 0 40 FIAB COc1ccc(/C=C(/SCC(=O)O)c2nc3ccccc3s2)cc1O 39982754 JBULWNKDNXYVAH-CXUHLZMHSA-N 373.455 4.326 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@H]2CCc3ccccc32)c1 45718976 JSQCMLWBYRZKMO-VLIAUNLRSA-N 351.450 4.035 0 40 FIAB CC[C@H](C)[C@H](NC(=O)CCc1ccc(OC)cc1)c1nc2ccccc2[nH]1 47173791 ZIWSFIUMJYSKCE-BTYIYWSLSA-N 365.477 4.408 0 40 FIAB Cc1ccc2nc(CN(C3CC3)[C@@H](C)c3ccccc3Cl)cc(=O)n2c1 47257592 PVLNYSJSGQRDFQ-HNNXBMFYSA-N 367.880 4.382 0 40 FIAB Cc1cnc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)s1 52953158 VMLKDCUBTJMCFF-UHFFFAOYSA-N 370.396 4.157 0 40 FIAB COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(Cl)cn4C)CC3)c2c1 55680986 OYNOIIFLYGYIME-UHFFFAOYSA-N 371.868 4.188 0 40 FIAB CSc1nc2ccc(NC(=O)N(C[C@@H]3CCOC3)C3CC3)cc2s1 58168193 QDCFBPYZOYHTHG-NSHDSACASA-N 363.508 4.051 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1C 59227358 VSKLXIZAJOHZGM-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CNc1cccc(N2CCCC2=O)c1C 60089712 CHZUMVOKCNAHBZ-UHFFFAOYSA-N 371.868 4.134 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H](c2ccccc2)C1 69629668 JDXWSZIQRCRXJW-MRXNPFEDSA-N 358.869 4.167 0 40 FIAB Cc1ccc(NC(=O)CC2(C(=O)N[C@@H](C)c3ccccn3)CCCC2)cc1 75572156 LIEMIDXMOLEDNB-KRWDZBQOSA-N 365.477 4.156 0 40 FIAB O=C(c1cc(-c2ccccc2)ns1)N1CCO[C@@H](c2ccccc2F)C1 78903287 CDJZGKNARZAYDJ-GOSISDBHSA-N 368.433 4.163 0 40 FIAB O=C(Nc1scnc1C1CC1)c1cnc(Cc2ccc(F)cc2)s1 89787958 XFOYIVWFTXMQPE-UHFFFAOYSA-N 359.451 4.459 0 40 FIAB Cn1ccnc1SCC1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 90608166 GUXQVYNTBXJEDD-UHFFFAOYSA-N 371.550 4.362 0 40 FIAB CCn1c(CN2CCC(Cc3cccnc3)CC2)nc2c(F)cccc21 95458268 AELUQRVOEBJOMM-UHFFFAOYSA-N 352.457 4.045 0 40 FIAB O=C(CSc1ccc(F)cc1)NCc1cc(C2CC2)n(C2CCCC2)n1 96104079 GWXGAXOJMGLVTL-UHFFFAOYSA-N 373.497 4.423 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccsc2)S1 96116802 HZCRSKNVMRHBDP-GXTWGEPZSA-N 363.508 4.254 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100076102 RDDOMPLINKUVSR-LMSBXDPUSA-N 373.374 4.497 0 40 FIAB Cc1noc(C)c1CCNC(=O)N1CC2(CCCC2)c2c(F)cccc21 107395325 BEHXWZNMURFBHM-UHFFFAOYSA-N 357.429 4.015 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222713200 RMEIPNPOAKUEHR-SJLPKXTDSA-N 369.461 4.109 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CC1 222819855 GPVGAFDUDTZQGN-OALUTQOASA-N 354.523 4.216 0 40 FIAB Cc1cccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)c1C 223931001 ZLYLDZMBCABTLJ-UHFFFAOYSA-N 352.478 4.103 0 40 FIAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224471024 KCQQGGPSNVJCBP-ZWKOTPCHSA-N 368.893 4.251 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C)c(C)c3)n2)cc1 224585018 FMXJVYXBQAUNGW-UHFFFAOYSA-N 363.461 4.253 0 40 FIAB COc1ccc(NC(=S)NCc2ccc(Cl)cc2)c2cccnc12 225305985 MORCNBOVIDYMIU-UHFFFAOYSA-N 357.866 4.383 0 40 FIAB O=C(Cc1cccc(Br)c1)NCc1cccc(C(F)(F)F)c1 225624864 LQNXYLLWCKYDKX-UHFFFAOYSA-N 372.184 4.327 0 40 FIAB O=C1S/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1c1cccc(Cl)c1 409198974 ASMUPBNHDVKMCT-CXUHLZMHSA-N 373.817 4.352 0 40 FIAB O=S(=O)(NCc1cc(-c2ccoc2)cs1)c1ccccc1Cl 1775969838 NNKJFGOMJVTCKH-UHFFFAOYSA-N 353.852 4.140 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 788104 ZGHOTWKDSIEAIB-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB N=c1c2c(n(Cc3ccc(Br)cc3)c3c1CCC3)CCCC2 977916 YEJLKGBVTVLUJU-UHFFFAOYSA-N 357.295 4.146 0 40 FIAB COc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2C1CCCCC1 1370228 BJRCVQCNUFNUGY-RTBURBONSA-N 356.510 4.143 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1980657 CQHUFLIUVYEVQU-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB O=S(=O)(Oc1cccc2cccnc12)c1ccc(Cl)cc1Cl 2060647 CFPFWZXWQMQESX-UHFFFAOYSA-N 354.214 4.309 0 40 FIAB Cc1ccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1C 2231678 SAXADDLDWHEEMC-UHFFFAOYSA-N 374.444 4.338 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 2321274 UWZKYWHZMAUGDF-UHFFFAOYSA-N 361.357 4.014 0 40 FIAB CC(C)C(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C 2434355 FCMJXDJPWLFDHC-UHFFFAOYSA-N 354.837 4.453 0 40 FIAB CN(C(=O)CSc1nnc(Nc2ccccc2)s1)C1CCCCC1 2644238 HKBPFYUSMOOEBH-UHFFFAOYSA-N 362.524 4.165 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NCCc1ccc(Cl)cc1 3281921 TYFMPWIEGJUEOO-LBPRGKRZSA-N 367.276 4.161 0 40 FIAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccc(Cl)cc1 3299780 QXSUNLOJCYPNIN-UHFFFAOYSA-N 373.714 4.034 0 40 FIAB COc1ccc(CNC(=O)CSc2nc(-c3ccccc3)cs2)cc1 3454042 UQATZESFMLWLNL-UHFFFAOYSA-N 370.499 4.227 0 40 FIAB COc1ccccc1-c1nnc(Nc2nc3c(OC)cccc3s2)o1 4137647 BKUZENLLVMYPPT-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB COc1ccc(-c2nnc3ccc(SCc4ccc(F)cc4)nn23)cc1 4164993 BCKHEODTDCQBOR-UHFFFAOYSA-N 366.421 4.231 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 4538944 SPIZZRAZHQTPPL-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COc1ccc(Br)c(-c2nc(-c3c(F)cccc3F)no2)c1 4670369 MBROHZANDHIUSM-UHFFFAOYSA-N 367.149 4.453 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1cccc(F)c1 4807396 WGQAXGBVTFJGJQ-VAWYXSNFSA-N 355.409 4.146 0 40 FIAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816472 RJWWCZDCDGLHLM-UXHICEINSA-N 358.445 4.064 0 40 FIAB Cc1cccc(-n2ncc3c2ncn2nc(-c4cccc(Cl)c4)nc32)c1 5323703 KMHUWMDMAYWPEL-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](CC)C3)cc1 5476933 NVUQMRDZUHXPLY-LBPRGKRZSA-N 372.490 4.013 0 40 FIAB C[C@H](O)c1nc2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 6381875 GKUUEEKAVAUTIP-INIZCTEOSA-N 372.424 4.357 0 40 FIAB CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(C)cc32)cc1 6600837 LVOAOLORDRUQAQ-UHFFFAOYSA-N 356.429 4.223 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 6656559 QWJVAKPAPJGUFP-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCC)cc2)c1 6767590 GUIWOVIYFNXZOU-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB COC(=O)CCSCC(=O)N1c2ccccc2Sc2ccccc21 7676468 LYKIAAPQYLZHAZ-UHFFFAOYSA-N 359.472 4.112 0 40 FIAB O=C(CN(Cc1ccco1)Cc1ccco1)N[C@H]1CCCc2ccccc21 7726245 LAQBDYMSEJGREW-NRFANRHFSA-N 364.445 4.069 0 40 FIAB Cc1cccc(C)c1OC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7929102 TYTJFWJTNDKTAX-SFHVURJKSA-N 359.425 4.415 0 40 FIAB Cc1cccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c1 8280967 MPMNDDNVMOYLAA-UHFFFAOYSA-N 357.413 4.474 0 40 FIAB COc1ccc(-c2nnc3sc(COc4cc(C)ccc4C)nn23)cc1 8715086 JBAXVRBILZWTJW-UHFFFAOYSA-N 366.446 4.057 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4cccc(C)c4)nc3C2)cc1 9935857 GZHJOKDDKOKNFP-MRXNPFEDSA-N 359.429 4.450 0 40 FIAB O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)cc(F)c1 10513619 DPOMWJRHOVGGMT-INIZCTEOSA-N 357.809 4.048 0 40 FIAB Cc1ccccc1C(=O)N[C@@H](C)Cn1c(C(F)(F)F)cc2cccnc21 12084988 SOYQZJFXNFIDBZ-ZDUSSCGKSA-N 361.367 4.182 0 40 FIAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1cccc(Br)c1 12474157 PDIXGTGFDXWHMR-MJBXVCDLSA-N 354.288 4.257 0 40 FIAB Cc1nc2ccc(N[C@H](C(=O)N3CCCC3)c3ccccc3)cc2s1 12524945 NTCDLFVMMBTBAZ-IBGZPJMESA-N 351.475 4.380 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1NC(=O)c2ccccc2N1 12532735 GHJZEXLGCCAISC-IBGZPJMESA-N 366.852 4.056 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(N(C)C)cc3)cc2)cs1 12553745 JNOCRDIIPPPCQA-UHFFFAOYSA-N 351.475 4.115 0 40 FIAB COc1cccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)c1 12559150 PZLXFKIFPLCHNZ-MRXNPFEDSA-N 353.466 4.125 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3cc(F)cc(F)c3)cc(C3CC3)nc21 12979859 RUODMXJCOXNODJ-UHFFFAOYSA-N 356.376 4.420 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(OC(F)(F)F)cc1 16129591 IUVDDUHLOGSPDN-UHFFFAOYSA-N 369.723 4.179 0 40 FIAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c(OC)c1 21577827 FAJMSBWAUYQROZ-UHFFFAOYSA-N 358.413 4.086 0 40 FIAB COC(=O)c1cc(NC(=O)COc2ccc3ccccc3c2)ccc1Cl 26880321 POZSODDPXCMQKK-UHFFFAOYSA-N 369.804 4.297 0 40 FIAB CCOc1ccccc1C(=O)N(Cc1ccc(OC)cc1)c1ccccn1 27662330 JNCADXBQDFFOEG-UHFFFAOYSA-N 362.429 4.336 0 40 FIAB O[C@H]1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1 27900987 WITYEOOSZUICNZ-QHCPKHFHSA-N 352.437 4.400 0 40 FIAB Cc1c(C(=O)NC[C@H]2CCCc3ccccc32)[nH]c2c1C(=O)CC(C)(C)C2 29109089 OVWRERZMPKQYDE-MRXNPFEDSA-N 364.489 4.328 0 40 FIAB Cc1nc(COc2cccc(C(=O)N3CCc4ccccc4C3)c2)cs1 32193298 QFOJWYQVKZANDP-UHFFFAOYSA-N 364.470 4.229 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 33149244 OCTYKOVLOVYBEN-IBGZPJMESA-N 370.424 4.264 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1 36062682 JTWAERCUGSQZIR-GHTZIAJQSA-N 366.505 4.244 0 40 FIAB Cc1cccc(-n2nc3c(c2NC(=O)/C=C\c2ccco2)CSC3)c1C 36370262 SESLYDPWVIXWAA-HJWRWDBZSA-N 365.458 4.481 0 40 FIAB CCCCC(=O)N1CCC(c2nnc(-c3ccccc3OC)s2)CC1 38666616 KKVXWLVCFUWKAQ-UHFFFAOYSA-N 359.495 4.110 0 40 FIAB O=C(Oc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 40059800 KFADMMYAJBYSMQ-NSHDSACASA-N 368.216 4.044 0 40 FIAB CCCCCn1ccc2c(cnc3c(-c4ccc(F)cc4)c(C)nn32)c1=O 40396884 OTDQKFDNGSFEQD-UHFFFAOYSA-N 364.424 4.349 0 40 FIAB O=C(NCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 44932022 ADIJKQSBBUBFPL-KRWDZBQOSA-N 360.860 4.008 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(C3CC3)[C@@H](C)C3CC3)c12 47449081 PWUFSDNFFAIVFM-HNNXBMFYSA-N 374.488 4.347 0 40 FIAB O=C(CN1CCC[C@@H]1c1cccs1)N1CCC(Cc2ccccc2)CC1 48362226 PHPJRURMPUINKQ-HXUWFJFHSA-N 368.546 4.366 0 40 FIAB Cc1ccc(OCc2nnc(SCc3nc4ccccc4n3C)o2)cc1 58217517 ONRZJBFRIRHCBY-UHFFFAOYSA-N 366.446 4.136 0 40 FIAB CC(=O)NCCCCCC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 58341023 KRKWAIZFNARTMR-KRWDZBQOSA-N 371.308 4.353 0 40 FIAB CCN(C(=O)c1ccc2c(c1)OCCO2)[C@H](Cc1ccc(F)cc1)C(C)C 72303438 NZDONLZVFUYDLT-LJQANCHMSA-N 371.452 4.326 0 40 FIAB CN(C)c1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3ccccc3)n2)c1 72355836 OMWQPSIQEKCKRG-NRFANRHFSA-N 372.472 4.187 0 40 FIAB C[C@H](NC(=O)CC(C)(C)c1ccccc1)[C@H](O)c1c(F)cccc1Cl 89598469 UJODFRXZMODDQK-DJJJIMSYSA-N 363.860 4.385 0 40 FIAB CCOCc1ccc(CNC(=O)Nc2ccnn2[C@H](C)CC(C)C)cc1 95942261 MAIXDWWSSMPOAC-MRXNPFEDSA-N 358.486 4.348 0 40 FIAB CCCOc1ccc(N2C(=O)C[C@H](Nc3ccc4ccccc4c3)C2=O)cc1 100858125 QNWURHHTJPLVNT-NRFANRHFSA-N 374.440 4.373 0 40 FIAB CCOC(=O)c1cn(Cc2ccccc2Cl)c2ccc(F)cc2c1=O 199727931 LFJVFRWJNFMSIV-UHFFFAOYSA-N 359.784 4.019 0 40 FIAB CC(=O)Oc1ccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1 206873680 BWSCJCRSNRRIGD-SFHVURJKSA-N 355.409 4.161 0 40 FIAB Cc1ncsc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206998408 KAMVLTRRZZYFDK-CQSZACIVSA-N 352.912 4.425 0 40 FIAB CCC(CC)NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223324564 YFDFFAKDJXWGGU-AQTBWJFISA-N 356.491 4.132 0 40 FIAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)c1 224518352 KHSJHZJXKMYXKG-QZTJIDSGSA-N 367.499 4.329 0 40 FIAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(Br)cc1 224723502 XWMAEDFFXZZROR-UHFFFAOYSA-N 368.296 4.281 0 40 FIAB COc1ccccc1CCCNC(=O)COc1cc(C)ccc1C(C)C 225291690 GOWCQOCRASGQGC-UHFFFAOYSA-N 355.478 4.255 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc4c(c3)CCCC4)n2)cc1 225635433 IUPLVFVMRBREKM-UHFFFAOYSA-N 361.445 4.196 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 225685279 IMAMSLQGLFEJNW-CYBMUJFWSA-N 359.422 4.027 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCc2nc(-c3cccs3)no2)c1 225827579 QIZQXXZDIGZZQX-UHFFFAOYSA-N 374.491 4.072 0 40 FIAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc2sc(NN)nc12 226313013 PTBQFYJZQUHWHR-UHFFFAOYSA-N 370.478 4.031 0 40 FIAB CCCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 409228862 GCZCRLZSLDARKS-GXDHUFHOSA-N 362.838 4.387 0 40 FIAB Cc1nc2ccccc2c(N2CCC[C@H](CNC(=O)c3ccco3)C2)c1C 509473960 XRUWUUKNCDIBEC-QGZVFWFLSA-N 363.461 4.091 0 40 FIAB C[C@H](NC(=O)[C@]1(C)COc2ccccc2O1)c1ccc(F)c2ccccc12 1544964350 UWPZOFWYDZDIKI-FPTDNZKUSA-N 365.404 4.386 0 40 FIAB C[C@H](NC(=O)[C@@]1(C)COc2ccccc2O1)c1ccc(F)c2ccccc12 1544964361 UWPZOFWYDZDIKI-RCDICMHDSA-N 365.404 4.386 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)CCc2ccco2)CN1c1cccc(F)c1 1615123236 SGAROIOZNQLNCU-JOCHJYFZSA-N 370.468 4.401 0 40 FIAB Cc1cnccc1CN1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037989028 RYXLLXCQVBCPIR-NQIIRXRSSA-N 353.485 4.409 0 40 FIAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cc(-c2ccccc2)[nH]n1 11361340 UJCTWFFBBSEIFB-UHFFFAOYSA-N 372.384 4.174 0 40 FIAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(F)cc1 11667301 OOMIJMBORGNZMR-AWEZNQCLSA-N 363.392 4.308 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(F)cc2)CC1 2633163 ILLMVRKKUWLQRL-UHFFFAOYSA-N 374.459 4.384 0 40 FIAB CCOc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 2713303 GHVVACWZAKUVNS-UHFFFAOYSA-N 370.840 4.189 0 40 FIAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(Cc3csc(C)n3)o2)c1 21331828 OZJYFPKDOJJSOH-GFCCVEGCSA-N 373.503 4.406 0 40 FIAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102591955 WIOVCLNVOPMEEA-IERDGZPVSA-N 372.428 4.352 0 40 FIAB Cc1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)c2ccccc2n1 2751145 XFUQLYXPWIDHJQ-UHFFFAOYSA-N 370.408 4.492 0 40 FIAB CC(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9064095 NKRDGGGKJGTMHL-UHFFFAOYSA-N 358.307 4.193 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792389 XVMRCJSQSBFQJV-FOIQADDNSA-N 354.450 4.215 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)[C@@H]1C 23055036 QMUCHQGAHUOBNQ-XNJGSVPQSA-N 357.325 4.366 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)c1 712777 VOYOKTYMEHICLN-LJQANCHMSA-N 352.434 4.043 0 40 FIAB biogenic CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(C)c2)CC1 819274 XCTSRNBKVVVKJI-UHFFFAOYSA-N 350.506 4.256 0 40 FIAB CC(C)c1nnc(NC(=O)c2ccccc2NC(=O)c2cccs2)s1 22975645 XXFRSQAZBVXYNT-UHFFFAOYSA-N 372.475 4.228 0 40 FIAB COC(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C)c1 55906868 YFLYAUQIRVAUDN-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB CN1CCC(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 23187970 FNMVYSGAKYHVTM-UHFFFAOYSA-N 353.249 4.077 0 40 FIAB CC1(C)C[C@H](NC(=O)c2ccc3ccn(Cc4ccccc4)c3c2)CCO1 61721269 XBXRBVUYQMDIJQ-HXUWFJFHSA-N 362.473 4.377 0 40 FIAB Cc1nc(-c2ccc(NC(=O)c3cccnc3N3CCCC3)cc2)cs1 23872989 BKNFAPDWIYOGOT-UHFFFAOYSA-N 364.474 4.366 0 40 FIAB CCOc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)(C)C)c2)cc1 24356705 VZZFRQKXFGIQOB-UHFFFAOYSA-N 369.465 4.121 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cccnc1)CC2 24528463 RDDKFSFYMSXFIT-NRFANRHFSA-N 366.486 4.308 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1nccn1C(F)F 12547707 BAYUGMIEMRGJOQ-UHFFFAOYSA-N 367.352 4.206 0 40 FIAB Cc1c(C(=O)NCCc2nc3ccccc3[nH]2)oc2ccc(Cl)cc12 12530304 ZPJNGRVGPWOWBS-UHFFFAOYSA-N 353.809 4.243 0 40 FIAB CSc1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 8185817 APVDGZSXBUANRY-UHFFFAOYSA-N 363.866 4.105 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3290984 FIRLBBHZHQTZDQ-LBPRGKRZSA-N 360.841 4.231 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4ccc(N(C)C)cc4)nn12)CCCC3 2198064 LDVADIYLZMXGAM-UHFFFAOYSA-N 363.490 4.259 0 40 FIAB O=C(N[C@@H](c1cccs1)C1CCCC1)C1CCN(CC(F)(F)F)CC1 48250516 METSYCOXRONICE-MRXNPFEDSA-N 374.472 4.370 0 40 FIAB CC(=O)c1ccccc1OCCSc1nnc(-c2ccccc2F)o1 3442666 OYZVQGRSFJXVOX-UHFFFAOYSA-N 358.394 4.249 0 40 FIAB CSc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 12980690 FLPLELDAKQHJPL-HNNXBMFYSA-N 360.504 4.103 0 40 FIAB C[C@H](NCc1ccco1)c1cccc(NC(=O)Cc2ccccc2F)c1 48714448 ZZNOESNHWHKWGL-HNNXBMFYSA-N 352.409 4.451 0 40 FIAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)c1 409231438 JBXPNXOCYKCXCJ-XSFVSMFZSA-N 371.440 4.187 0 40 FIAB Cc1sc2ncnc(N[C@H](C)C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)c2c1C 8368601 KDVYEMPPLQYHIL-VNQPRFMTSA-N 372.538 4.147 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)OC 20462256 QZYLCGXGYNHOCP-HXUWFJFHSA-N 363.413 4.423 0 40 FIAB Cc1nn(-c2ccccn2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 6043957 NJRUDSAQGCERLI-UHFFFAOYSA-N 355.323 4.205 0 40 FIAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccco3)ccc21 65322221 KMGSNCIOYUUKLC-UHFFFAOYSA-N 366.465 4.278 0 40 FIAB CCc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)o2)cc1 14234605 DGDZFCFBNGWQFK-BBRMVZONSA-N 359.495 4.086 0 40 FIAB Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1 4735098 VEZNIGFZBHOYSN-UHFFFAOYSA-N 359.385 4.488 0 40 FIAB aggregator Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)o1 6790526 NOQJWDBCEWFEKV-UHFFFAOYSA-N 350.403 4.150 0 40 FIAB COc1cc(NC(=O)c2cccc(-n3cccc3)c2)c(OC)cc1Cl 8724648 DGIQVZKEQPNYGM-UHFFFAOYSA-N 356.809 4.400 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N(C)Cc1ccccc1N1CCCC1 8774345 AGLRMGICOSRAPB-UHFFFAOYSA-N 361.489 4.209 0 40 FIAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1 67297980 CJHCGNPXVYNMEF-UZYVYHOESA-N 363.398 4.080 0 40 FIAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccnc2)cc1 15729429 YSFSRTYNTQBWSL-UHFFFAOYSA-N 372.380 4.320 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)c(F)c1 7405713 AAIINWFLMMFBDN-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c1 7405261 FICCDICTXHYCCX-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB O=C(CSc1ccc(F)c(Cl)c1)NCCc1c[nH]c2ccccc12 7416368 JSRFJARLHYJPIV-UHFFFAOYSA-N 362.857 4.411 0 40 FIAB O=C(CCCSc1ccccc1)N1CCC(CCCn2ccnc2)CC1 96008812 ZMXVLKTXYOXTTD-UHFFFAOYSA-N 371.550 4.474 0 40 FIAB Cc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9447701 CVZXYQZZXPWIER-INIZCTEOSA-N 352.459 4.347 0 40 FIAB Cc1ccsc1CNC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl 97473599 UZZFAXQSIZBHLQ-LLVKDONJSA-N 357.306 4.330 0 40 FIAB O=C(Nc1ccn(Cc2ccccn2)n1)c1cc2c(s1)CCCCCC2 84610190 HHUBQRPKIRSTJP-UHFFFAOYSA-N 366.490 4.299 0 40 FIAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c1 409326907 GIFZOBOVUOUCMD-PDGQHHTCSA-N 367.426 4.005 0 40 FIAB Cn1ncc(NCCC(c2ccccc2)c2ccccc2)c(Cl)c1=O 89741003 VPDUNRCAKGAWBM-UHFFFAOYSA-N 353.853 4.068 0 40 FIAB CCN1C(=O)/C(=C\c2cc(OC)c(O)cc2Br)c2ccccc21 409112813 CCICJYKIYZOLJR-JYRVWZFOSA-N 374.234 4.070 0 40 FIAB CC(C)c1ncc(Cl)c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)n1 127344637 VIYPGVIQCKYYMQ-UHFFFAOYSA-N 359.644 4.395 0 40 FIAB Cc1cc(C)nc(N2CCC(c3ccc(Nc4ccccn4)cn3)CC2)n1 72374223 DMLYYXSBNNVXNG-UHFFFAOYSA-N 360.465 4.011 0 40 FIAB Cc1ccc(Nc2nc(NCCc3cccs3)nc3nccnc23)cc1 35681981 FWABKMSQUQZRBF-UHFFFAOYSA-N 362.462 4.188 0 40 FIAB Cc1cccc(NC(=O)CSCc2cc(=O)c3cc(C)cc(C)c3[nH]2)c1 33063680 KJPXDYOYJBZUBJ-UHFFFAOYSA-N 366.486 4.325 0 40 FIAB Cc1cccc(C(=O)N[C@H](C(=O)N[C@H](C)c2cc(C)ccc2C)C(C)C)c1 36062699 HSOGSXNBVWPQCD-NQIIRXRSSA-N 366.505 4.244 0 40 FIAB CCn1c([C@@H](C)Nc2ccc(S(=O)(=O)CC)cc2)nc2ccccc21 566380368 IPNRRDYLNLBOEW-CQSZACIVSA-N 357.479 4.023 0 40 FIAB C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCC2 223259253 FDBXVQOGZDGYIZ-ZDUSSCGKSA-N 358.279 4.358 0 40 FIAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1nc(C(C)(C)C)no1 48325219 PCVYFLRBOOZWFK-LLVKDONJSA-N 370.482 4.209 0 40 FIAB COc1ccc(CSCC(=O)NCCOc2ccccc2C(C)C)cc1 223747760 JJBZMXYNHPQJEE-UHFFFAOYSA-N 373.518 4.247 0 40 FIAB COc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225178738 CUBGLVCMLBOUOP-UHFFFAOYSA-N 356.447 4.213 0 40 FIAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(-n2ccnc2)cc1 225373717 SSJGFZUZVNCGAW-UHFFFAOYSA-N 374.271 4.428 0 40 FIAB CCOc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1OCC 225308078 ZNRRQQCFSCGMTI-UHFFFAOYSA-N 361.869 4.386 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cc(C)ccc1C 224024821 LZMDSURMZBIEDI-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)CCc3ccccc3)ccc2c1 225210839 VBNHAKZNNCVISE-INIZCTEOSA-N 369.486 4.148 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccc(Cl)cc2)c1 223400674 HJAUBHGCQZKTMX-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCCCn1c2nc(S)nnc2c2cc(C)cc(Br)c21 96319339 JMINXBRXEZSHBS-UHFFFAOYSA-N 351.273 4.139 0 40 FIAB CCOC(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695542 LNBCMZDNRFGGIN-UHFFFAOYSA-N 353.344 4.402 0 40 FIAB Cc1ccc(OCCc2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 95116384 QXVWZEZEFRQXMP-UHFFFAOYSA-N 353.447 4.029 0 40 FIAB Fc1cc(F)cc(-c2nc(SCc3cnn(-c4ccccc4)c3)n[nH]2)c1 607761330 JBZJZRWHRRFONJ-UHFFFAOYSA-N 369.400 4.228 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1 1775978503 SMWZAJFQEKIHBF-IBGZPJMESA-N 367.470 4.277 0 40 FIAB C[C@H](Oc1ccc(C(=O)Nc2cccc3cn[nH]c23)cn1)c1ccccc1 48235423 XOTLGPIEIYDDIT-AWEZNQCLSA-N 358.401 4.350 0 40 FIAB Cc1ccc(C)c(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 811324 JFXSKXZGEIUYCY-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)N2CCC(C)CC2)cc1 824984 UYTZEQKKHFDYDU-XMHGGMMESA-N 368.502 4.086 0 40 FIAB O=C(Nc1cccc2ccccc12)c1cccn(Cc2ccccc2F)c1=O 5270392 MIKRKQVUIYUTGE-UHFFFAOYSA-N 372.399 4.441 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CCC4(OCCO4)[C@@]3(C)CC[C@@H]21 12657950 OJRADRUMJUVRPG-WOZUAGRISA-N 356.462 4.211 0 40 FIAB biogenic CCCCCCNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 12698369 OXAHCQZCOACHHL-UHFFFAOYSA-N 374.554 4.221 0 40 FIAB O=C(NCc1ccccc1Cl)c1cccc(OCc2cscn2)c1 12740543 BRWYSHZRABGKJO-UHFFFAOYSA-N 358.850 4.306 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1 13669287 ZCOSBIYRJFGFTC-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB O=S(=O)(Cc1cccc(Cl)c1)NCCCc1ccc(Cl)cc1 13674695 BOIZRIKJQQFNNH-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB COc1ccc(C)cc1NC(=O)/C=C/c1cc(C)n(-c2cc(C)on2)c1C 15634025 VQXUBHRBHCQUHL-VQHVLOKHSA-N 365.433 4.359 0 40 FIAB COc1ccc(-c2nc(N3CCCCC3)nc3c2C(=O)c2ccccc2-3)cc1 17076092 UWRZBPIZBFBQTN-UHFFFAOYSA-N 371.440 4.354 0 40 FIAB O=C([C@@H]1CCCO1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19336614 BREQBHAORUJQFT-MSOLQXFVSA-N 358.413 4.103 0 40 FIAB CCCOc1c(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cccc1OC 19503810 NHDPYESVVFYWTQ-QFBILLFUSA-N 358.482 4.281 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1C 6846169 XXISBRJXZGNKML-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1cc(C)c2c(c1)nnn2C(=O)COc1c(C)cc(Cl)cc1Cl 226359887 KCUVMADLVZPWGQ-UHFFFAOYSA-N 364.232 4.383 0 40 FIAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)cc2)cc1 5256170 HNYGEUHVJKOUTQ-OAQYLSRUSA-N 361.445 4.442 0 40 FIAB C[C@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)Cc1ccsc1 618256721 LMLUDTHKHLMMCI-LJQANCHMSA-N 357.500 4.200 0 40 FIAB C[C@H](O)c1ccc(C2(CNC(=O)/C=C/c3ccccc3)CCCC2)s1 225680792 BXXRQWHFCWUZLI-YHVDPYDOSA-N 355.503 4.443 0 40 FIAB Cc1ccc(-c2cc(CNC(=O)c3ccc(Br)cc3)no2)cc1 21010120 GPMLWLOUFMKNDF-UHFFFAOYSA-N 371.234 4.343 0 40 FIAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Br)s1)n2C 100843393 RLKABFYXVQRLFL-JQIJEIRASA-N 367.293 4.113 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1 40283291 KEFXDTMDISHCOD-CQSZACIVSA-N 355.344 4.283 0 40 FIAB Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1 858360 QRZBWCUHTKKBNY-IBGZPJMESA-N 368.820 4.292 0 40 FIAB CCOc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1OCC 989820 UXFUAUXEXVANBY-SFHVURJKSA-N 372.490 4.278 0 40 FIAB CSc1nc(Oc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 1392703 FWBCSIIJPFQLEL-UHFFFAOYSA-N 352.394 4.469 0 40 FIAB O=C(Cc1csc(Nc2ccc(Cl)cc2)n1)NCc1ccccc1 1455178 ZHWIHMFRSALEFI-UHFFFAOYSA-N 357.866 4.399 0 40 FIAB COC(=O)C[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 1719054 BQCIDEOEABMJOF-HNNXBMFYSA-N 361.235 4.369 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1ccc(C(F)(F)F)n1 3350798 QFGJQVACCXRMLY-UHFFFAOYSA-N 359.779 4.319 0 40 FIAB O=c1c2ccccc2nc(SC[C@H]2CCCCO2)n1-c1ccccc1 3492610 LBAQNPQUWWMCPW-MRXNPFEDSA-N 352.459 4.047 0 40 FIAB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 4167350 ZTLAYUJBNUPUBS-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB Cn1c(SCCOC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 4287676 MWICCCBTTQHXTR-UHFFFAOYSA-N 373.865 4.085 0 40 FIAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CN1CCCCC1 4900322 YNUQPGKCYNHIBB-DFWAIWNTSA-N 369.549 4.465 0 40 FIAB Cn1c(SCC(=O)c2cccc3ccccc23)nnc1-c1ccncc1 4980002 RHONWPOUGOZBRD-UHFFFAOYSA-N 360.442 4.005 0 40 FIAB CNC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCC2 5055480 JUBMATKLPZADHJ-UHFFFAOYSA-N 364.470 4.392 0 40 FIAB CCOc1cccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)c1 6026692 ZMCOOSOJKJGNKM-UHFFFAOYSA-N 366.442 4.071 0 40 FIAB O=c1cc2c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1CC2 6243019 DWMPQOULYZFNIO-UHFFFAOYSA-N 357.240 4.364 0 40 FIAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC 6354947 AAUWRCPEJNCSFW-NTEUORMPSA-N 356.809 4.293 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(CO)cc3)n2)cc1C 7002421 VYKRMQQPCXMRBV-UHFFFAOYSA-N 352.459 4.480 0 40 FIAB Cc1cc(OCC(=O)OCC(=O)Nc2cccc(C)c2C)ccc1C(C)C 7240257 PJJOSIQBQNIYJF-UHFFFAOYSA-N 369.461 4.296 0 40 FIAB Cc1cc2nc(N(C)CCOc3ccc(Cl)cc3)c3ccccc3n2n1 7778721 IJUIZYOJYUOIPD-UHFFFAOYSA-N 366.852 4.360 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1 7928057 HNEZYZRRAXHXMG-LJQANCHMSA-N 364.489 4.420 0 40 FIAB CCc1ccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)cc1 7950800 OVXSAHCEWRJAGE-UHFFFAOYSA-N 364.239 4.281 0 40 FIAB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1O 8277460 GRZVUBITHJDTAV-CXUHLZMHSA-N 374.849 4.254 0 40 FIAB COc1ccc2cc(CN(C)C(=O)COc3cccc(F)c3)ccc2c1 8360855 UAJKTBAZJAUUPL-UHFFFAOYSA-N 353.393 4.025 0 40 FIAB CC(C)n1ncc2c(C(=O)NCCc3ccc(F)cc3)cc(C3CC3)nc21 8402528 KADQUVMSUTUDBS-UHFFFAOYSA-N 366.440 4.001 0 40 FIAB O=C(CCSc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9337932 QGLCPEIVNGZXAH-SFHVURJKSA-N 351.475 4.409 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)Cc1c[nH]c2ccccc12 10899212 RSKZFWXEVWRTLC-UHFFFAOYSA-N 361.489 4.359 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)N1CCO[C@@H](c2ccccc2)C1 11027393 RJJVWGKRYRUUMM-OAQYLSRUSA-N 361.441 4.452 0 40 FIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3cccc(Br)c3)ccc2o1 12537631 KUVWXVYVYFQSAN-SNVBAGLBSA-N 374.238 4.338 0 40 FIAB CN(CC(=O)N(C)Cc1ccccc1F)Cc1ccc2ccccc2c1 12855936 OJEIIJADKUUZES-UHFFFAOYSA-N 350.437 4.069 0 40 FIAB COc1cc2[nH]c(=S)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC 13660121 OVLMRHHAPYCRQH-UHFFFAOYSA-N 370.434 4.012 0 40 FIAB C[C@@]12CC3CC(C(=O)N4CCN(Cc5ccccc5)CC4)(C1)C[C@](C)(C3)C2 13958114 VGQXJASAXVAFKB-UKEUTYLDSA-N 366.549 4.327 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc(F)cc2F)c1 14016901 RMIAJLGAQUNDGS-QGZVFWFLSA-N 362.376 4.351 0 40 FIAB COc1ccc2oc(C(=O)NC3(c4noc(C)n4)CCCCC3)c(C)c2c1 14189829 VDXLGHCMSCHDEM-UHFFFAOYSA-N 369.421 4.031 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Oc3ccc(Cl)cc3)c12 14898419 BEVGUBHJBKMPID-UHFFFAOYSA-N 367.792 4.409 0 40 FIAB COc1ccc(OCCn2c(C3CCOCC3)cc3cccnc32)cc1 19556880 UOXPXYAPVBVCOG-UHFFFAOYSA-N 352.434 4.018 0 40 FIAB COc1ccc2[nH]c(CN(Cc3ccccn3)C[C@@H]3CCCO3)c(C)c2c1 19565435 HQIXEEJSMSJMHS-IBGZPJMESA-N 365.477 4.061 0 40 FIAB COc1ccc(CN2CCC[C@H]3NC[C@H](c4ccc(F)cc4)[C@H]32)c(C)c1C 19577382 RFNZVDOLVLYFCY-MQSCRBSSSA-N 368.496 4.171 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2Cl)cc1OC 19931496 NCVBQUAJZGIRJM-LLVKDONJSA-N 351.855 4.477 0 40 FIAB CN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 21002370 GANMDYBLKRMYDR-JOCHJYFZSA-N 372.468 4.206 0 40 FIAB Cc1cccc(-c2nc3c4c(C)c(C)n(-c5ncccc5C)c4ncn3n2)c1 21801572 YUUMLAPVNCPPMM-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB Cc1ccc(-c2noc(CS(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 23126267 XICSZYJPLSILLN-UHFFFAOYSA-N 356.447 4.142 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)n1nc(C(F)(F)F)cc1C)c1ccc(C)cc1 28236675 RDBRUBDNMDIPKP-UKRRQHHQSA-N 353.388 4.347 0 40 FIAB CC(=O)c1cccc(NC(=O)CNc2ccccc2N2CCCCCC2)c1 29934352 JXMJFNVCWHTAOT-UHFFFAOYSA-N 365.477 4.320 0 40 FIAB O=C(NCCCOC1CCCCC1)c1cccnc1Oc1ccccc1 31498113 FCNZDOZNVUNLFU-UHFFFAOYSA-N 354.450 4.343 0 40 FIAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1=Cc2ccccc2OC1 31992788 VRRGJURMIQIQCQ-UHFFFAOYSA-N 366.417 4.288 0 40 FIAB CCOC(=O)[C@H]1[C@@H](C(=O)O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1 32109878 IEYXJQVIWCATHW-LWYYNNOASA-N 352.430 4.228 0 40 FIAB COc1ccc(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)c(OC)c1 35043317 GSIIFMWQVMBYAB-CXUHLZMHSA-N 374.849 4.440 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccc(F)cc1 36365082 LSRPJGVHZADVGK-UHFFFAOYSA-N 366.396 4.024 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)s1 39998577 QORSOLMVFBYMOG-VIFPVBQESA-N 357.888 4.018 0 40 FIAB C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 44838942 GLFGYHMPROSFOG-LBPRGKRZSA-N 370.250 4.330 0 40 FIAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCC(C(F)(F)F)CC1 47892801 VAAJHAZKYDREBQ-UHFFFAOYSA-N 369.305 4.365 0 40 FIAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)Cc3ccc(F)cc3)c2C)cc1 48343171 LULVPFADTOFLBF-OAHLLOKOSA-N 351.425 4.048 0 40 FIAB Fc1ccc(-c2cnc(CSc3nnc(N4CCCC4)s3)o2)cc1 52912334 WJQXLBAIOMHQEV-UHFFFAOYSA-N 362.455 4.225 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1c(F)cccc1Cl)C3 61997642 VVEKEKYXOHTUCC-UHFFFAOYSA-N 359.784 4.246 0 40 FIAB biogenic Cc1cc(SCC(=O)Nc2ccccc2)nc(-c2cccc(F)c2)n1 67257371 JCHOKIFVRDHWCN-UHFFFAOYSA-N 353.422 4.322 0 40 FIAB CCc1cc(=O)[nH]c(-c2ccc(NCc3csc4ccccc34)nc2)n1 68667029 UJAXZLYLQHMWCU-UHFFFAOYSA-N 362.458 4.221 0 40 FIAB CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@](O)(c1ccccc1)C(F)(F)F 72208730 KYULFLRGRVIACI-YOEHRIQHSA-N 359.388 4.226 0 40 FIAB O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(Nc2ccncc2)cc1 72289554 HTFLXVJZLUEZQI-UHFFFAOYSA-N 369.428 4.322 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 72377057 YINPZRLVDZYTED-SFHVURJKSA-N 368.456 4.109 0 40 FIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(-n2cccn2)c1 78762798 YKALGYIACAXICZ-UHFFFAOYSA-N 354.822 4.388 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2Cc2cnc(-c3cccs3)[nH]2)c1 79059124 BVYWTLDJUJMXLU-QGZVFWFLSA-N 369.490 4.493 0 40 FIAB CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCc3ccccc32)c1 83843714 LGMFVZVPSYFKOC-UHFFFAOYSA-N 363.866 4.074 0 40 FIAB O=C(N1CCO[C@@H](Cc2ccccc2)C1)C1(c2cccs2)CCCC1 85473057 VGFBZHVZVAZLML-SFHVURJKSA-N 355.503 4.030 0 40 FIAB CCc1nc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)sc1C 95350875 GCYZKCWVLHFQCJ-UHFFFAOYSA-N 372.490 4.236 0 40 FIAB CC(C)c1nnc(/C=C/C(=O)Nc2cccc(Oc3ccccn3)c2)o1 95428366 LZAUFIOHYSSGAU-MDZDMXLPSA-N 350.378 4.032 0 40 FIAB COc1ccc(-c2nnc(NCc3ccnc(OC)c3)c3ccccc23)cc1 96006364 DVTGAFAYRCLZJX-UHFFFAOYSA-N 372.428 4.321 0 40 FIAB CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccccc3C)cc2)C1 96122458 ZALSFGOBRZJCCX-NRFANRHFSA-N 352.478 4.182 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccccc3F)nnc12 100265536 IYLKNDJIUUJJOH-BUXKBTBVSA-N 357.454 4.161 0 40 FIAB CNC(=O)[C@@]12CC[C@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 100920646 QCZNTSNVOUYNDH-QZTJIDSGSA-N 364.276 4.012 0 40 FIAB C[C@H](NC(=O)COC(=O)c1c(Cl)cccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102199726 KWSATXIUZKIKDW-ZDEQEGDKSA-N 370.276 4.091 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(F)cc2)C[C@H](c2ccccc2)C1 102614988 VIXMCWSMAMARFX-YWZLYKJASA-N 360.392 4.482 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2cn3ccccc3n2)CC1 131433789 AOASJYDOAFZMGE-UHFFFAOYSA-N 372.472 4.073 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)N[C@@H](C)COc1ccc(Cl)cc1)n2C 141571863 PXXQEQYPNYJMMC-AWEZNQCLSA-N 356.853 4.337 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882794 ROHPLUXWDRUPSV-INIZCTEOSA-N 369.339 4.390 0 40 FIAB Cc1cccnc1NC(=S)NCCSCc1ccccc1Cl 225297603 JTSSTWYIXHPRJS-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB COc1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)c(C)c1 225580045 VURCFKLXBXUOLD-UHFFFAOYSA-N 365.418 4.316 0 40 FIAB Cc1nc(C2(C)CCN(C(=O)CCc3ccccc3)CC2)c2sccn12 257330928 XQPSUXIXZJXQNZ-UHFFFAOYSA-N 367.518 4.217 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(O)c(Cl)c3)N21 260777711 QMDJNMDWJTVICD-DQYPLSBCSA-N 359.882 4.420 0 40 FIAB CCc1nn(C)cc1N[C@H](CCCOC)c1ccc(Br)cc1 538579310 RWOGWIRHQQYBLD-MRXNPFEDSA-N 366.303 4.325 0 40 FIAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc(F)c(Cl)c1 575617239 RIJSTJWZWHVYQF-UHFFFAOYSA-N 373.762 4.085 0 40 FIAB O=C(Nc1sc2c(c1C(=O)C1CC1)CCC2)c1ccc(C(F)F)nc1 585090820 ORYXYJUWBLNLRG-UHFFFAOYSA-N 362.401 4.414 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)nc1)N1CC[C@@H](c2ccccc2)C1 588945945 RDWRNQUPOKMTHX-QGZVFWFLSA-N 351.450 4.424 0 40 FIAB O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccc2ccccc2c1 590406183 LYIKQLGSSFRILD-UHFFFAOYSA-N 365.396 4.425 0 40 FIAB CCOC(=O)c1cnc2ccccc2c1Nc1cc(C(=O)O)ccc1C 90646 CMAHIRRDRLDHBA-UHFFFAOYSA-N 350.374 4.162 0 40 FIAB Cc1nc(C)n([C@@H](Oc2ccc(Cl)cc2Cl)C(=O)C(C)(C)C)n1 727403 GNNUATACUSZEFH-HNNXBMFYSA-N 356.253 4.395 0 40 FIAB CCOc1cc(C(=O)Nc2nc(C)c(C)s2)cc(OCC)c1OCC 807903 JRJNIUMXZHMFIG-UHFFFAOYSA-N 364.467 4.208 0 40 FIAB C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc(Cl)cc2Cl)O1 1026859 BDYRJVFUMVKXBZ-DIFFPNOSSA-N 352.217 4.485 0 40 FIAB O=C(O)c1cc(-c2ccccc2)nn1-c1nc(-c2cccc(O)c2)cs1 1415885 JMQYFVYZRAVURE-UHFFFAOYSA-N 363.398 4.067 0 40 FIAB Clc1cccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)c1 2418132 KWAVRMRQDSJIMI-UHFFFAOYSA-N 352.829 4.164 0 40 FIAB COc1ccc(-c2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1 3213957 OAPIUCYVVNTNBS-UHFFFAOYSA-N 350.443 4.436 0 40 FIAB COc1cccc(-c2cc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)no2)c1 3907952 KUPVMDKCRMNEOZ-BTYIYWSLSA-N 354.450 4.391 0 40 FIAB O=C(O)Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 4148021 XLRTUINPEWNVIU-UHFFFAOYSA-N 373.474 4.162 0 40 FIAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 4167343 BMJOGBULAWUWHI-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB CCCOc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 4503725 MQPDCCFZWTZXME-UHFFFAOYSA-N 369.446 4.296 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815071 XTMUERKEFYWZCR-ZWKOTPCHSA-N 352.825 4.019 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 4901965 HIFDTWSKODLUBI-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB CCOc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 4984845 BLOCJGYLCDCZHD-UHFFFAOYSA-N 367.474 4.009 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1C 5136373 IFPBTFWDHIDQMV-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccccc4s3)c2O1 5635721 DIPBNJSPANQJII-UHFFFAOYSA-N 354.431 4.027 0 40 FIAB CC(C)CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 6325898 ISOYHHLDROBWNZ-QGZVFWFLSA-N 366.461 4.103 0 40 FIAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(OC)c1 6939162 PRBUMFVKDRFYBB-UHFFFAOYSA-N 354.233 4.283 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 6966849 XFHSOLJZMUXGGO-UHFFFAOYSA-N 365.811 4.281 0 40 FIAB COc1cc(CNC(=S)Nc2ccc(C(C)C)cc2)cc(OC)c1OC 7500738 BVMKBPLFMNBIFP-UHFFFAOYSA-N 374.506 4.322 0 40 FIAB O=C(NCCSCc1ccccc1)c1ccc(N2CCCCC2)cc1 7505009 OZFXJSNXUNZQTI-UHFFFAOYSA-N 354.519 4.340 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2F)n1 7623908 IRHOKAIMHMHUIR-UHFFFAOYSA-N 353.422 4.322 0 40 FIAB O=C1c2ccccc2C(=O)N1CSc1ncc(C(F)(F)F)cc1Cl 7737192 UQPJZJDCYCNCTB-UHFFFAOYSA-N 372.755 4.100 0 40 FIAB COc1ccccc1OCC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 7739976 YRXISYSOCYGURB-OAQYLSRUSA-N 367.470 4.350 0 40 FIAB O=C(NCc1ccccc1)c1cccc(Oc2ncnc3sccc23)c1 7984116 FKJODNPQIOCBDO-UHFFFAOYSA-N 361.426 4.414 0 40 FIAB COc1ccc(OCCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 7985914 PLOPHJORADMIGT-UHFFFAOYSA-N 354.431 4.226 0 40 FIAB c1ccc(CCc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393195 BGRTYFCBRKRHLF-UHFFFAOYSA-N 352.488 4.263 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1ccc(C)cc1 8533251 BAZBLGCIIRXGGB-HNNXBMFYSA-N 360.885 4.424 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)CSc3ccc(F)cc3)o2)cs1 9690029 VMOZBHFILUVKPH-UHFFFAOYSA-N 362.451 4.259 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 10027685 OHIWGFZCSVOYHP-KRWDZBQOSA-N 370.880 4.448 0 40 FIAB Cc1cc(C)c2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1 10157415 SAFXRPCICXQYHW-UHFFFAOYSA-N 371.444 4.357 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1OCC 10429631 QCXDCFTVSLXSOF-UHFFFAOYSA-N 354.450 4.337 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cc(Cl)ccc1Cl 10677242 NWBTYNIENFJXQA-MRXNPFEDSA-N 356.274 4.423 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1 11361651 JPUXYCOSWWSQFP-UHFFFAOYSA-N 362.385 4.134 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4ccccc4)nnc3s2)cc1OC 12274158 DWKCJBKQZLEAQJ-PKNBQFBNSA-N 364.430 4.040 0 40 FIAB Cc1ccc(C2=NN(C(=O)C(C)C)[C@@H](c3ccc4nccnc4c3)C2)cc1 12390696 OJHOFGPQNJRARM-OAQYLSRUSA-N 358.445 4.272 0 40 FIAB Cc1ccc(COC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c(C)c1 12415633 ZCTUVNLHHXQNOM-UHFFFAOYSA-N 355.825 4.203 0 40 FIAB COc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1OC 12789379 ZJLMDEDPCXXTFY-UHFFFAOYSA-N 374.487 4.127 0 40 FIAB O=C(Nc1ccnn1Cc1ccccc1Br)C1CCCCC1 12870006 BAVHMEHNLNTEMX-UHFFFAOYSA-N 362.271 4.213 0 40 FIAB CC[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(C)cc1 12938460 GGOYLNHGTFYPFW-INIZCTEOSA-N 354.475 4.389 0 40 FIAB CCOc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OCC 14182471 GKRPDCKLEBITLJ-UHFFFAOYSA-N 371.521 4.359 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 14226788 RPYMFOBFPYHUDQ-KRWDZBQOSA-N 370.880 4.448 0 40 FIAB O=C(/C=C/c1nc2ccccc2o1)OCc1nc2ccccc2n1C(F)F 14902883 IHNKFVDCJGAHJY-MDZDMXLPSA-N 369.327 4.329 0 40 FIAB CCOc1ccccc1C[C@@H]1C(=O)N(C)c2ccc(Br)cc21 15017831 OQHCGCWCKWWMEL-HNNXBMFYSA-N 360.251 4.151 0 40 FIAB CCc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C([N+](=O)[O-])=C3C=CC=CN32)cc1 15565930 GDAHNOHVAAJMCI-UNMCSNQZSA-N 372.424 4.472 0 40 FIAB O=C(c1cc(Cl)ccc1F)N1CCN(Cc2ccc(Cl)s2)CC1 18111509 ONPVSPCEYPLDCQ-UHFFFAOYSA-N 373.280 4.152 0 40 FIAB CCC(CC)C(=O)N1CCC[C@H]1c1nc(C)ncc1-c1onc(C)c1C 19500161 JBDAYQLUNFAJQJ-KRWDZBQOSA-N 356.470 4.157 0 40 FIAB O=C(NCc1ccco1)c1ccc(OCCSc2ccccc2)cc1 19933038 DTLZNFVYENNVNG-UHFFFAOYSA-N 353.443 4.381 0 40 FIAB CC(C)=CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 20917248 QOWKLTMETQIEFI-UHFFFAOYSA-N 370.443 4.165 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCc1ccccn1 21899916 HKCGRTJQUHDQTF-UHFFFAOYSA-N 357.866 4.139 0 40 FIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCSc2ccccc21 23228206 DCGIFYFBLDMZBU-SFHVURJKSA-N 369.486 4.387 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1c(C)[nH]c3ccccc13)O[C@@H](C)C2 24396988 QDQRBTNVGNUWNB-ZDUSSCGKSA-N 364.445 4.128 0 40 FIAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1N1CCCC1 24499949 GWFRZECVDDJUER-UHFFFAOYSA-N 367.474 4.493 0 40 FIAB Cc1ccccc1NC(=O)CSCC(=O)Nc1cc(Cl)ccc1C 28183397 KKNCHELHEUZXNO-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 28220915 HLSOLTMMQBGQND-LPHOPBHVSA-N 356.897 4.429 0 40 FIAB COc1ccc(Br)cc1CN(C)c1ncnc2ccsc12 28624689 BWZOGNMREXHESF-UHFFFAOYSA-N 364.268 4.099 0 40 FIAB O=C(CCn1ccc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 29268106 IGDHMSMQPLOLDH-UHFFFAOYSA-N 372.472 4.314 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccccn1 29319950 IVTKCBHKTIDBKU-GCJKJVERSA-N 359.473 4.492 0 40 FIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1cccc(C)c1 31903376 KTVCVPHPCDBUBC-NRFANRHFSA-N 363.461 4.107 0 40 FIAB O=C(CSc1nc2cc(Cl)cc(Cl)c2[nH]1)NCc1cccs1 32691693 LLEOBHWCZGUMAL-UHFFFAOYSA-N 372.302 4.340 0 40 FIAB O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1sc2ccccc2c1Cl 32758099 ATAQRYIYILIOBL-CQSZACIVSA-N 370.861 4.218 0 40 FIAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1OC(F)F 32808610 OUANOUBXPVOMTK-UHFFFAOYSA-N 357.360 4.045 0 40 FIAB Cc1ccc(C)c(OCCC(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 33124087 DAEHTIRGCWUYSF-UHFFFAOYSA-N 361.445 4.476 0 40 FIAB CCn1c(SCc2ccccc2)nnc1-c1cc(OC)cc(OC)c1 33692892 OUUZVXGTDLPTQV-UHFFFAOYSA-N 355.463 4.275 0 40 FIAB CSc1ccc(Cc2nnc(NC(=O)/C=C/c3cccs3)o2)cc1 35588353 UCEHHOQIJGWMTQ-CMDGGOBGSA-N 357.460 4.096 0 40 FIAB C[C@H](c1ccccc1F)N(CC(=O)NCc1ccc(Cl)cc1)C1CC1 40155711 BPOSAIWKUDEOKF-CQSZACIVSA-N 360.860 4.321 0 40 FIAB COc1ccc2cc(CN[C@H](CN3CCCC3=O)c3ccccc3)ccc2c1 47794692 BGVQBTJMCDNJNQ-HSZRJFAPSA-N 374.484 4.302 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 50011948 OOWFJLBKMFTLGD-GZTJUZNOSA-N 361.463 4.320 0 40 FIAB Cc1cccc(CNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 57477230 XDZGHXUNEUSPCN-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB CCCN(C(=O)CSc1ccc(C)cc1)[C@H](C)C(=O)Nc1ccccc1 58137830 DUVYEKMFLXUPDE-QGZVFWFLSA-N 370.518 4.353 0 40 FIAB FC(F)(F)c1cccc(N2CCN(CCCOc3ccccc3)CC2)c1 60993010 QFZGXHNWVGNJKT-UHFFFAOYSA-N 364.411 4.297 0 40 FIAB COc1ccc(Cl)cc1C(=O)N(Cc1ccccn1)Cc1ccco1 62018051 NRHPWOJOPNNSMH-UHFFFAOYSA-N 356.809 4.179 0 40 FIAB Cc1nc(-c2ccccc2)sc1CNC(=O)NCc1ccc(F)cc1 67034886 NRMQTNNAKUCCGN-UHFFFAOYSA-N 355.438 4.257 0 40 FIAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2c1cccc2ccccc12 71280112 ACSPBLPLRYZFNG-KRWDZBQOSA-N 363.417 4.031 0 40 FIAB CCN(C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72212746 MUBKZNNFEKYGCO-IBGZPJMESA-N 353.466 4.402 0 40 FIAB COc1cc(C(=O)NCc2ccc(Cl)cc2)nc2c(C)cc(F)cc12 72329513 QEWKANPWRDXHID-UHFFFAOYSA-N 358.800 4.274 0 40 FIAB Clc1ccc(CNc2ncc(-c3cnccn3)c(-c3ccco3)n2)cc1 72338684 REEPRKVELQTVEM-UHFFFAOYSA-N 363.808 4.459 0 40 FIAB CN(C(=O)c1nccc2ccccc12)c1nc2c(s1)CCc1occc1-2 72346979 XVOPEACUFFSWET-UHFFFAOYSA-N 361.426 4.327 0 40 FIAB Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 72376887 XJNWXLFEKYNWLE-HXUWFJFHSA-N 372.472 4.022 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN(CC(=O)N[C@H](C)c2ccco2)CC1 79943965 KWJFAOYSRXQCCS-OAHLLOKOSA-N 365.477 4.126 0 40 FIAB C[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 84697705 AJUSCAQPGDERPQ-KXBFYZLASA-N 370.880 4.212 0 40 FIAB O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ncoc1-c1cccs1 89836651 WWIUHOOFAOJUIO-JKSUJKDBSA-N 368.458 4.271 0 40 FIAB O=C(NC1(c2ccc(Br)cc2)CC1)[C@@H]1C[C@H]1c1ccccc1F 95385711 QISMVLZLSDWPSV-JKSUJKDBSA-N 374.253 4.497 0 40 FIAB O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccco1)CC2 96052524 DFIWSRISHXRFEP-UHFFFAOYSA-N 372.468 4.360 0 40 FIAB Cc1cccc(-c2noc(CNc3c(F)cccc3N3CCCC3)n2)c1 109745772 NRFNRWIBJHKGTP-UHFFFAOYSA-N 352.413 4.396 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c1 216389981 BOTNHJXNDVLSAN-GOSISDBHSA-N 359.397 4.107 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220813 YCEFVJHQDLKXJD-YCRPNKLZSA-N 353.462 4.219 0 40 FIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223843321 SZZAZQBBMFPAHD-DLBZAZTESA-N 367.499 4.334 0 40 FIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 224342092 XNPRBOJGBKSHFF-PMACEKPBSA-N 362.502 4.160 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)Cc2ccc(OC)cc2)c2ccccc2O1 224771369 UWSDUDRBDLQWJN-LJQANCHMSA-N 353.462 4.437 0 40 FIAB Cc1cc(NC(=S)N[C@@H](C)c2ccc(F)cc2)ccc1N1CCCC1=O 225474421 DJJKMQACDCARKM-AWEZNQCLSA-N 371.481 4.309 0 40 FIAB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c(C)c1 225544406 UHVDKOXCFPLYEW-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB Cc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1Cl 225727914 HNCNYFWDKYSEIK-OKILXGFUSA-N 353.963 4.303 0 40 FIAB CSc1ccc(CCC(=O)NCc2ccnc(-c3cccnc3)c2)cc1 238845769 IHFMGNHBXOAZDU-UHFFFAOYSA-N 363.486 4.115 0 40 FIAB COc1cc2c(cc1OC)C(COc1cccc(C(F)(F)F)c1)=NCC2 256055747 RQMOSJAOEAGDOI-UHFFFAOYSA-N 365.351 4.147 0 40 FIAB Cc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)s1 306136306 PPOTZHSXJKDTSL-LJQANCHMSA-N 371.531 4.156 0 40 FIAB Fc1ccc(OCc2cc([C@@H]3CCN(Cc4ccccc4)C3)n[nH]2)cc1 585260858 OZLZAPAXGHNKEH-QGZVFWFLSA-N 351.425 4.117 0 40 FIAB C[C@H]1C[C@@H](C)N(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 607204883 UQTMQPYCIIVEIS-VHSXEESVSA-N 354.332 4.018 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(OCc2ccccc2)cn1 1524418077 MIHXOUKUPXQYAI-UHFFFAOYSA-N 373.334 4.327 0 40 FIAB CO[P@@](=O)(Oc1ccccc1C(=O)Oc1ccccc1)c1ccccc1 2308823 NJDDDXWCXISAHI-AREMUKBSSA-N 368.325 4.450 0 40 FIAB O[C@H](CN[C@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl 3401903 GQJNFXXFTZTBLZ-KDOFPFPSSA-N 366.288 4.400 0 40 FIAB COc1cc(C(=O)Nc2ccccc2CC[C@@H]2CCCCN2C)ccc1O 3802769 LBYXPDAENJSHDD-SFHVURJKSA-N 368.477 4.070 0 40 FIAB in-man CCCCOCCCNC(=O)c1c(-c2ccccc2Cl)noc1C 4264827 GLYYGLKVXZXHIH-UHFFFAOYSA-N 350.846 4.240 0 40 FIAB Fc1cccc(Cl)c1CSc1ccc2nnc(-c3cccnc3)n2n1 4327794 PYRQZWYCBTTZLM-UHFFFAOYSA-N 371.828 4.271 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(F)c(Cl)c1 4969544 WSNUEKGTYNWEKU-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1c(F)cccc1Cl 5109666 ZDXFHPRAOBICQB-NWDGAFQWSA-N 361.800 4.002 0 40 FIAB Cc1cccc(NC2=NC(=O)[C@@H](CC(=O)Nc3cccc(C)c3C)S2)c1 5553828 UDAKFWSHXSCEIC-QGZVFWFLSA-N 367.474 4.051 0 40 FIAB COc1ccc(/C=C/C(=O)OCc2c(F)cccc2Cl)cc1OC 5676073 DTGLQXGCOUYXKW-VQHVLOKHSA-N 350.773 4.253 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 6078627 HHELNCVMWXUTCQ-GHMZBOCLSA-N 368.264 4.105 0 40 FIAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 6959478 FQPRKXMINGUFTI-UHFFFAOYSA-N 368.216 4.222 0 40 FIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(C2CC2)nc2ccccc12 6988382 JKTQXVHCIYTUSY-UHFFFAOYSA-N 371.440 4.491 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1CC(F)(F)F 7113686 OFDOWBAZPMJFLE-QGZVFWFLSA-N 372.350 4.001 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)cc1 7482728 WRJSMEIZXSSYAJ-UHFFFAOYSA-N 361.825 4.024 0 40 FIAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)c1 7600899 MGGKLKUCOQEQFE-QFIPXVFZSA-N 358.441 4.438 0 40 FIAB O=C(c1cnn(Cc2ccccc2)c1)N1CCC(Cc2ccccc2)CC1 8072080 FDUAJLASEPDIPQ-UHFFFAOYSA-N 359.473 4.026 0 40 FIAB CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8326311 ORNXCRVNQWNPLJ-KRWDZBQOSA-N 354.277 4.433 0 40 FIAB Cc1cccc(-c2nnc([C@H](C)Nc3cccc(C(=O)NC4CC4)c3)o2)c1 8341526 FXOGZPFFQBASQB-AWEZNQCLSA-N 362.433 4.110 0 40 FIAB CC1(C)COc2ccc(NC(=O)Cc3cccc4ccccc34)cc2NC1=O 8959899 LJCQROZCVGMPIG-UHFFFAOYSA-N 374.440 4.378 0 40 FIAB O=c1[nH]c(-c2ccccc2)nc2c1sc(=S)n2Cc1ccccc1 11363964 OJTCUJWOIHVVNR-UHFFFAOYSA-N 351.456 4.231 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc(F)cc3)nn12 12322865 ORIOHDBKPHSZHW-UHFFFAOYSA-N 360.801 4.321 0 40 FIAB C[C@@H](SCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)C(=O)O 12779962 VVTLBXCDYVXDMO-CZUORRHYSA-N 373.499 4.073 0 40 FIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cc(Cl)ccc1F 12793373 MDGVQDHRPSUTDA-UHFFFAOYSA-N 353.850 4.174 0 40 FIAB CCn1c(-c2ccccc2)nn(CN2CCc3sccc3C2)c1=S 12924918 LAAUMDJXTSWHRP-UHFFFAOYSA-N 356.520 4.178 0 40 FIAB Cc1ccc2[nH]c(C(=O)OCc3ccc(C(F)(F)F)cc3)cc(=O)c2c1 12948013 RCNGMVLMNRUJKE-UHFFFAOYSA-N 361.319 4.212 0 40 FIAB O=C(COc1ccc(Cl)cc1)OCc1cc(-c2ccccc2F)on1 16838629 JIAUXTBWNXUSOO-UHFFFAOYSA-N 361.756 4.256 0 40 FIAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)C12CC3CC(CC(C3)C1)C2 17149743 NMBFVWYEASOVPW-UHFFFAOYSA-N 372.415 4.452 0 40 FIAB COc1ccc2nc(N3C(=O)CS[C@@H]3c3ccccc3F)sc2c1 17198281 AMIUSWDOAGDUCF-MRXNPFEDSA-N 360.435 4.223 0 40 FIAB CCCCn1cnc2c(sc3nc4c(cc32)CSC(C)(C)C4)c1=O 17355184 OVAVAXJBIFQPCK-UHFFFAOYSA-N 359.520 4.374 0 40 FIAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2CCc2ccccc2)n1 19572878 TVXSSYGRWCOLIU-FPOVZHCZSA-N 353.510 4.465 0 40 FIAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2C(=O)c1ccccc1 19713450 HDEALNACQKNVKN-GPXNEJASSA-N 362.517 4.435 0 40 FIAB Cc1ccc([C@@H](NC(=O)COc2ccccc2F)c2cccs2)cc1 20019340 LEGVAUQZZWBGTE-HXUWFJFHSA-N 355.434 4.480 0 40 FIAB CCOc1ccc(CCC(=O)NCCSC(C)(C)C)cc1OCC 20489376 ZBTYMSBHXMVHTA-UHFFFAOYSA-N 353.528 4.065 0 40 FIAB CC(C)(C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 21785184 ZPWLWLANMRFWOC-UHFFFAOYSA-N 363.505 4.214 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(-c3ccccc3)nc1C)OCO2 24478506 RXYJHHKJMZGGLG-UHFFFAOYSA-N 374.396 4.241 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCCc1csc(-c2ccccc2)n1 27992261 BVHVTFQPCIQZLB-UHFFFAOYSA-N 372.877 4.201 0 40 FIAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1ccncc1 28221599 WQIALKXWNOEMQE-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB CCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 28291555 FKIDMQCQPJDTNT-IBGZPJMESA-N 372.534 4.350 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1OC 30754048 OIEMVWNSJKMFJK-SFHVURJKSA-N 361.869 4.255 0 40 FIAB COc1c(C)ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1C 31722626 NPRMPNUMZFVGHR-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB CC[C@@H](CNC(=O)c1c(F)cccc1Cl)N1CCc2ccccc2C1 32447555 KQFPXAKEDNFCTR-INIZCTEOSA-N 360.860 4.046 0 40 FIAB Cc1noc(-c2ccc(C(=O)O[C@@H](c3ccccc3)c3ccccn3)cc2)n1 32764590 GVNQKLUZPJPHGG-FQEVSTJZSA-N 371.396 4.386 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccccc1N1CCCC1=O 32856161 YBUNCHAFAOKVCI-UHFFFAOYSA-N 363.392 4.061 0 40 FIAB CC(C)CC(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 36366633 AHCVWVSOWRQDAQ-UHFFFAOYSA-N 362.477 4.431 0 40 FIAB CCc1cc(=O)oc2cc(OCc3noc(-c4ccc(C)cc4)n3)ccc12 40051671 AXJVKRCOZSYZIC-UHFFFAOYSA-N 362.385 4.293 0 40 FIAB COc1ccc(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1OC 40056843 FYTSIMOKTRSWMU-AWEZNQCLSA-N 353.418 4.212 0 40 FIAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)NCc1ccco1 40300730 FMQYDZMNXUVZIP-OUKQBFOZSA-N 357.413 4.116 0 40 FIAB CC(C)c1noc(CCC(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)n1 41815028 KAKKTWOZJPXRJB-GOSISDBHSA-N 353.466 4.194 0 40 FIAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58029817 HCJLBBCPFYHITO-UZLBHIALSA-N 355.434 4.392 0 40 FIAB COCc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 65478391 FQYJDEYFVDGHDY-NSHDSACASA-N 374.491 4.015 0 40 FIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1nc(-c2cccnc2)cs1 68249267 ZTJGOWBVBCXSAG-CMDGGOBGSA-N 373.441 4.043 0 40 FIAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc2ccccc12 70636384 YWKSSEIJOHNRGJ-IBGZPJMESA-N 359.347 4.020 0 40 FIAB C[C@](O)(CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccsc1 72294109 YIXJGQYJQDYXSU-QFIPXVFZSA-N 365.498 4.294 0 40 FIAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)C4CC4)C3)c2)c1 72370053 DGJUGNXYEWKLQK-GOSISDBHSA-N 350.462 4.182 0 40 FIAB O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc2c1=O 95465932 DRETXYQHKXHWAF-KRWDZBQOSA-N 362.404 4.033 0 40 FIAB CCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 111501315 QQGDXYANHCAKBQ-UHFFFAOYSA-N 360.498 4.135 0 40 FIAB CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 211506163 SSUXBSBSHDLZGW-PTNGSMBKSA-N 358.419 4.485 0 40 FIAB COC(=O)c1cn(C(=O)CSCc2ccccc2C)c2ccccc12 222570151 WEXKTCFNZWZRRI-UHFFFAOYSA-N 353.443 4.310 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC(C)(C)C 223358435 PBCHQZKEVUTGKZ-INIZCTEOSA-N 352.906 4.162 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)CSCc2ccc(Cl)cc2)c1 223978919 KSYHAGFYKJMMDY-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 224952999 IDCOBYARZPWXCC-GOSISDBHSA-N 351.490 4.390 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)s1 225536582 IUQWJQQEEGRMDV-ZDUSSCGKSA-N 365.524 4.453 0 40 FIAB COc1c(C)cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225575142 GHEDOMOEGWCKJJ-UHFFFAOYSA-N 357.425 4.138 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCOCC)cc2)CCC(C)CC1 225669367 JNZIBXWCVFMCOZ-UHFFFAOYSA-N 363.498 4.416 0 40 FIAB CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCCNC2)n1 257274404 NKYYBJLUNAGDTO-GOSISDBHSA-N 359.477 4.312 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@H](N2CCc3ccccc3C2)C1 408613039 WPSMVJPQHIKWHI-SFHVURJKSA-N 354.881 4.003 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 408628211 QWSFKDFPQNARSS-AYJWMTRPSA-N 369.490 4.185 0 40 FIAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(-c2ccncc2)c(F)c1 572811058 SBPAWQAEHQSBQC-GOSISDBHSA-N 368.452 4.499 0 40 FIAB NC(=O)Cc1ccc(CN[C@H](CCc2ccccc2)c2ccccc2)cc1 589646405 OSKWHEGLAAXNNI-HSZRJFAPSA-N 358.485 4.178 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2nc3cnccc3s2)cc1 665587903 DAPALEHXLJSBFI-INIZCTEOSA-N 353.447 4.067 0 40 FIAB C[C@@H]1CC[C@@H](NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)[C@H](C)C1 1126139552 QWZCIBOPTBBEMR-UMVBOHGHSA-N 365.399 4.446 0 40 FIAB CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 1615546401 NYVLULDJIYRJHH-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB C[C@H](Cc1cccc2c1cnn2[C@H]1CCCCO1)NC(=O)OC(C)(C)C 1857524107 FWXYAUQUOBKWQD-RDTXWAMCSA-N 359.470 4.191 0 40 FIAB O=C(NCCOc1ccc2ccccc2c1)c1ccccc1OC(F)F 11331807 OXPVQDGIUGJFGL-UHFFFAOYSA-N 357.356 4.250 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 29116019 ZTAKRCVJZQPUML-SFHVURJKSA-N 366.392 4.003 0 40 FIAB COc1c(C)cnc(CNC(=O)N2CCC[C@@H]2c2ccccc2C)c1C 51334242 XRRUQQJGZXLTDK-LJQANCHMSA-N 353.466 4.062 0 40 FIAB CC(=O)N[C@H](C)c1ccc(C(=O)COc2cccc(Cl)c2Cl)cc1 32170706 DWXDFPLUKGTLGN-LLVKDONJSA-N 366.244 4.452 0 40 FIAB CCCCNC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3277703 DKKYYJHUWDHKIS-UHFFFAOYSA-N 357.504 4.367 0 40 FIAB CCCNc1c(NC(=O)CCc2ccccc2)c(=O)oc2ccccc12 6917520 UGZHJGDAYODXTL-UHFFFAOYSA-N 350.418 4.186 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1OCC 7312855 MEOAMAJVUIXDDB-ZDUSSCGKSA-N 361.413 4.123 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8041788 CNQQIZRETQVZLB-SFHVURJKSA-N 374.868 4.276 0 40 FIAB COc1ccc(-c2nnc(SCCCOc3ccc(C=O)cc3)o2)cc1 8731651 BIXMCDVZQYNONT-UHFFFAOYSA-N 370.430 4.119 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccncc3)s2)o1 32954867 MEMSYGGIIUFKPN-HNNXBMFYSA-N 353.447 4.392 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)n1 33331628 NASMJDWHHKFDNW-OAHLLOKOSA-N 365.433 4.116 0 40 FIAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3cc(C)no3)n2)c1 9514204 MUESICJPSFQYGG-UHFFFAOYSA-N 373.434 4.156 0 40 FIAB Cc1cc(C)nc(SCC(=O)N(C)Cc2cccc(Cl)c2Cl)n1 22439443 WGGIAZJNPBVKBA-UHFFFAOYSA-N 370.305 4.151 0 40 FIAB CN1CCC[C@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 9876305 IMBRHVAUQVXBCM-MRXNPFEDSA-N 355.507 4.107 0 40 FIAB C[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)Cc2ccccc2C(=O)O1 818834 JLRDIFAVOYDABE-QGZVFWFLSA-N 350.201 4.104 0 40 FIAB O=C1C[C@H](c2ccc(Br)cc2)c2c(ccc3ncccc23)N1 974324 VQGFWOCUHCTBMP-CQSZACIVSA-N 353.219 4.471 0 40 FIAB COC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)cc1 47584063 ZTUXTNNFGWNNRY-UHFFFAOYSA-N 353.831 4.244 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1c2c(nc3ccccc13)CCC2 24033820 CMKUAPLTYNQGTM-UHFFFAOYSA-N 371.440 4.103 0 40 FIAB COc1ccc(CN(C(=O)c2cc(Cl)ccc2F)C2CC2)c(OC)c1 25292357 ZGFMSDJONDRNMA-UHFFFAOYSA-N 363.816 4.301 0 40 FIAB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 1514615 AJPLQISUMVCPEE-KRWDZBQOSA-N 362.857 4.234 0 40 FIAB COCc1ccccc1CNC(=O)N[C@H](c1ccccc1)c1cccs1 26389820 HBKNFWWYFOXIJY-HXUWFJFHSA-N 366.486 4.483 0 40 FIAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(F)c(F)c1 58143373 SYACHHZRHQJYRZ-UHFFFAOYSA-N 352.384 4.283 0 40 FIAB O=C(NCCc1nc(C2CCCCC2)cs1)[C@H]1CCOc2ccccc21 111095967 HKIZAVUEXGEEHV-KRWDZBQOSA-N 370.518 4.416 0 40 FIAB Cc1noc(C)c1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 27816756 NWTTZMMBODPMNG-MRXNPFEDSA-N 365.458 4.396 0 40 FIAB CCOc1c(Cl)cc(C(=O)NCCc2csc(C)n2)cc1Cl 27991793 UCIGHHJZPIKYDR-UHFFFAOYSA-N 359.278 4.130 0 40 FIAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(C(C)(C)C)cc1 10806324 LOKVLZNAGQKQLO-LBPRGKRZSA-N 360.841 4.217 0 40 FIAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC=C(C)C)o1 2365617 NFBCIGQDDFEKTM-LBPRGKRZSA-N 373.544 4.447 0 40 FIAB COc1cccc(NC(=O)[C@H](Sc2nncs2)c2ccccc2)c1 3389377 MRVJYSOCVMVAPI-OAHLLOKOSA-N 357.460 4.019 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1cccc(Cl)c1)O[C@H](C)C2 11230055 FJPZUDMDBCGIPI-GFCCVEGCSA-N 361.825 4.080 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 38549698 UFMOTNAISQKEDK-NYURKCDNSA-N 357.494 4.222 0 40 FIAB biogenic CC(C)(C)c1ccc(C(=O)C[C@H](NCc2ccc(Cl)cc2)C(=O)O)cc1 4118446 SZRDBNDTKBULBA-SFHVURJKSA-N 373.880 4.453 0 40 FIAB COc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1OC 6416690 NUGAFEYWJCYUQD-DYZYQPBXSA-N 358.463 4.319 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-n2cccc2)cc1 8707531 OVHNWMCWQSPASL-UHFFFAOYSA-N 359.473 4.350 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc(F)c1 14596189 ZKAYNNITGHBZGY-UHFFFAOYSA-N 371.330 4.051 0 40 FIAB CCOc1ncccc1C(=O)N1CCc2sccc2[C@H]1c1cccs1 8762669 NWYBVDCCCANHTF-KRWDZBQOSA-N 370.499 4.391 0 40 FIAB Cc1oc2cc3oc(=O)c(CC(=O)N4CCCCC4)c(C)c3cc2c1C 4744075 NMCXKXPTIZBUDY-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)[C@H]3COc4ccccc4C3)s2)cc1 8843784 LLSKBMBNZZEFPK-QGZVFWFLSA-N 364.470 4.232 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc3oc(C)nc3c2)ccc1OC(F)F 15543112 KHOKHPNEXGWELM-XBXARRHUSA-N 374.343 4.398 0 40 FIAB O=C(NCCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1 15838621 PYIOOFGGNMAAOF-UHFFFAOYSA-N 370.246 4.098 0 40 FIAB COc1ccc(NC(=O)[C@@H](OC(=O)c2ccoc2C)c2ccccc2)cc1 16544623 ZGBBIQPAJDNOEN-IBGZPJMESA-N 365.385 4.133 0 40 FIAB COc1ccc(-c2nc([C@H]3Nc4ccccc4C(=O)N3C)cs2)cc1 9468728 VIXFEASOPCEFBU-KRWDZBQOSA-N 351.431 4.015 0 40 FIAB CCC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1 89941546 ANLHLCGKDTUSPR-GOSISDBHSA-N 352.434 4.100 0 40 FIAB Cc1cc(C)n(-c2ccc(CSc3ccccc3S(C)(=O)=O)cc2)n1 95398449 JBPJRGPKLDBRHM-UHFFFAOYSA-N 372.515 4.185 0 40 FIAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CCCc1ccccc1 409148877 TUFKSXVBQLRIIJ-LDADJPATSA-N 367.426 4.084 0 40 FIAB O=C(CCCOc1ccccc1)NCc1ccccc1CN1CCCCC1 30551698 SCKKKTSVMMZHGC-UHFFFAOYSA-N 366.505 4.148 0 40 FIAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)c1 36635874 JBPCWJYKRCBRFQ-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1Cc1ccc(F)cc1 72359237 VDUNHAFDDOEFLF-SFHVURJKSA-N 365.456 4.262 0 40 FIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 219957597 GZZUFNHCQSDWMM-GOSISDBHSA-N 355.434 4.126 0 40 FIAB CSc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 44136206 LCKCHOMHDSHDJF-UHFFFAOYSA-N 352.246 4.024 0 40 FIAB in-vitro Cc1ccc2oc(CCCC(=O)NCCOc3ccc(C)c(C)c3)nc2c1 224950378 QEIJGVXYFNCZQF-UHFFFAOYSA-N 366.461 4.271 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1cccc2ccccc12 223550666 IJRCIWCRQODBSX-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3F)nc2c1 226344126 HEKIASAYUBEQFL-UHFFFAOYSA-N 363.186 4.308 0 40 FIAB Cc1ccc2c(c1)OC1(CCN(C(=O)Nc3ccccc3)CC1)CC2=O 225816634 RBQYZMCTHHZEOV-UHFFFAOYSA-N 350.418 4.027 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1Cl 222864707 ASROEIHDCDSCDF-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccccc2F)cc1 224617796 KTPQYYQLGCQSHS-IBGZPJMESA-N 359.441 4.131 0 40 FIAB O=C(O)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525557 VZGNOYLESBMUER-UHFFFAOYSA-N 373.836 4.254 0 40 FIAB Cc1ncsc1C(=O)N1CCC(Cc2cccc3ncccc23)CC1 257243122 IFOCQHZCDQCVOF-UHFFFAOYSA-N 351.475 4.095 0 40 FIAB COC(=O)c1cc(C)c(OC(=O)c2cccc(Br)c2)c(C)c1 256052840 OWLCKRMTSPBURY-UHFFFAOYSA-N 363.207 4.072 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N(Cc1ccoc1)Cc1cccs1 90612147 JYTUEZIFQASGBF-UHFFFAOYSA-N 354.387 4.432 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ncccc2CSC)cc1F 598866077 LIBOAHWCNCWOEN-MRXNPFEDSA-N 360.454 4.070 0 40 FIAB CC(F)(F)c1cccc(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1 666826943 HJDGJXHSIDABDW-YJBOKZPZSA-N 360.404 4.493 0 40 FIAB COc1ccc(OC)c(/C=C2/N=C(c3cccc4ccccc34)OC2=O)c1 678403 KGDOGZXIRLKOBT-CPNJWEJPSA-N 359.381 4.202 0 40 FIAB COc1cc(NC(=O)CCSc2ccc(Cl)cc2)cc(OC)c1 5682034 KCRRAHCNXUPUKD-UHFFFAOYSA-N 351.855 4.478 0 40 FIAB O=C(NCCCN1CCCCCC1)/C(=C/c1ccco1)c1ccccc1 13645939 NVOXYEZJCPUPFS-DYTRJAOYSA-N 352.478 4.203 0 40 FIAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1 15372978 OFVDPEQLJVKQKH-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccccc1 17191839 BFLZDVLPYFMMCM-UHFFFAOYSA-N 360.442 4.127 0 40 FIAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[C@H]2CCCC[C@H]2C1 19405581 RESBUGNCGFBAKO-AEFFLSMTSA-N 372.472 4.344 0 40 FIAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC1CC1 3323520 BEOFBVHKMGDCTK-MDWZMJQESA-N 363.848 4.485 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 6372769 GRXWGVGJMMPCGI-XCVCLJGOSA-N 367.323 4.254 0 40 FIAB CC(C)N(C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2)C(C)C 5304703 TWUOWVGUQAPYMI-UHFFFAOYSA-N 373.474 4.110 0 40 FIAB Cc1cccn2cc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc12 4370828 OWPGDFYMXQYNBH-UHFFFAOYSA-N 371.396 4.291 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2ccc(F)cc2)c1=O 5268989 ZIPBCZLFQNDNCH-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1ccc(Cn2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2=O)cc1 5270191 SYBJEKVYLZMWIY-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CSc1ccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)cc1 5240357 AHWFXYIGGJGCTQ-UHFFFAOYSA-N 351.840 4.426 0 40 FIAB O=S(=O)(NCc1ccc(-c2cccs2)o1)c1ccc(Cl)s1 575608083 IJZFANUOPUVZIV-UHFFFAOYSA-N 359.881 4.202 0 40 FIAB CC(C)c1cccc2sc(N3CCn4c(nnc4C(F)(F)F)C3)nc12 2298064981 LYJDQSJPQJBPPT-UHFFFAOYSA-N 367.400 4.050 0 40 FIAB COc1ccc(CCN(C)C(=O)Cc2cccc3ccccc23)cc1OC 30862675 LGPPWLCKGPZGQT-UHFFFAOYSA-N 363.457 4.101 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2cccc(Cl)c2)c1 925050 WWJNMAAHSQIKIW-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB Cc1cc(C)c(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)c(C)c1 1346918 WWBLMBPBYDCNSH-GOSISDBHSA-N 369.440 4.386 0 40 FIAB CC(C)COC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 1938761 FPTNHUAGTRNMCQ-AWEZNQCLSA-N 359.397 4.045 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nnc2sc3ccccc3n12 3309180 RJCOYHFDLZRPMS-UHFFFAOYSA-N 369.471 4.448 0 40 FIAB CC(C)(C)NC(=O)COc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1 4223009 NSXWEEAPXQWNAA-UHFFFAOYSA-N 370.537 4.039 0 40 FIAB Clc1ccc(-c2ccc3nnc(SCc4ccccn4)n3n2)cc1 4273120 FFSNLWUFFCNFQC-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB Cc1ccc(O)c(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 4520053 OIUWPNACGFZQCX-UHFFFAOYSA-N 352.415 4.267 0 40 FIAB COc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(OC)c1 4767916 GQLKBGWBZROHOG-UHFFFAOYSA-N 374.458 4.074 0 40 FIAB CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 4816468 IFNWSHMFHCXEOQ-VQTJNVASSA-N 360.461 4.454 0 40 FIAB CCS(=O)(=O)c1ccc(NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 4963662 LVBJWTWJPJEYHZ-OLMNPRSZSA-N 367.511 4.490 0 40 FIAB COCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 4980466 DLKJWECDRSYIQK-UHFFFAOYSA-N 362.408 4.261 0 40 FIAB c1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccccn4)SC3)cc2)cc1 5099963 LYRFVVGPCIXMGX-UHFFFAOYSA-N 369.453 4.365 0 40 FIAB COCc1c(C(=O)OCC(=O)c2ccc3c(c2)CCC3)oc2ccccc12 5199244 OPMFUMLRCSLETB-UHFFFAOYSA-N 364.397 4.108 0 40 FIAB Cc1ccccc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 5508037 UNTQUHGJBGEVPG-OAHLLOKOSA-N 355.459 4.069 0 40 FIAB Cc1ccc(CNC(=O)c2ccc(C(=O)NCc3ccc(C)cc3)cc2)cc1 5543884 NROGXHWNKUIHAD-UHFFFAOYSA-N 372.468 4.163 0 40 FIAB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(C)c(C)c1 5878504 UFZXYSGWNHNTNG-UHFFFAOYSA-N 367.445 4.011 0 40 FIAB Cn1c(SCCCC(=O)c2ccccc2)nnc1-c1ccccc1F 6609778 QNTYKWTVICPDQL-UHFFFAOYSA-N 355.438 4.376 0 40 FIAB COc1cc(CNCc2ccccc2)ccc1OC[C@@H](O)c1ccccc1 6650901 VBEJDLNCOXHEHT-OAQYLSRUSA-N 363.457 4.097 0 40 FIAB c1coc([C@H](CNc2ncnc3sc4c(c23)CCC4)N2CCCCC2)c1 6653064 MQTRMCNJOMLINH-HNNXBMFYSA-N 368.506 4.412 0 40 FIAB COc1ccc(CCNC(=O)c2sc(-c3ccccc3)nc2C)cc1 6760720 YWUOUCNYYDCFDM-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB biogenic O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc2c(c1)OCO2 6788907 FHAFPRQXMDGKLQ-UHFFFAOYSA-N 372.833 4.373 0 40 FIAB Cc1ccc(SCCN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 7003414 PUPWUFMWBDFPBQ-QRWLVFNGSA-N 360.523 4.224 0 40 FIAB Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)c(C)c1C 7197910 UWTFQHGKZHVKMX-UHFFFAOYSA-N 357.401 4.043 0 40 FIAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccccc1C(F)(F)F 7535863 HJERNVFCQPDWNS-UHFFFAOYSA-N 371.742 4.083 0 40 FIAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cc1F 7922491 DLMOOMPKGSSFIW-ZDUSSCGKSA-N 357.454 4.375 0 40 FIAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc2ccccc2c1 8231974 ANLHFAAZJMDBFZ-UHFFFAOYSA-N 359.429 4.017 0 40 FIAB Cc1ccc(C)c(NC(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)c1 8370393 XIXXGQORLWUFTK-UHFFFAOYSA-N 355.829 4.241 0 40 FIAB COc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1OC 8903864 CHHZYDYXHYLPRR-UHFFFAOYSA-N 366.295 4.013 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2csc(C)n2)cc1 9118095 BNMCKOMJGMALPT-GOSISDBHSA-N 351.431 4.231 0 40 FIAB O=C(Cc1ccc(Cl)s1)Nc1nnc(-c2cc3ccccc3o2)o1 9170248 MZTNJGNGPDFZDE-UHFFFAOYSA-N 359.794 4.379 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2NC1=O 9314151 FJEMVORHSWCYCK-LLVKDONJSA-N 360.866 4.045 0 40 FIAB COc1ccc(CNC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC 9710785 BJGUQMFMGGVHNY-ZDUSSCGKSA-N 354.406 4.010 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCCC)cc1 10473126 HFJHSJOUCOGMHS-UHFFFAOYSA-N 354.450 4.258 0 40 FIAB CC[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(F)cc1 11274543 DGHHOACFULYBCN-OAHLLOKOSA-N 358.394 4.010 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 11476877 FZAHRVOWSVAOGV-YCRPNKLZSA-N 368.477 4.415 0 40 FIAB C[C@H](Sc1nccn1C1CC1)C(=O)Nc1nc(-c2ccccc2)cs1 11892490 CWIIQBOQNYFWIE-LBPRGKRZSA-N 370.503 4.461 0 40 FIAB CN(Cc1ccccc1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 12789788 RNKFVZBHXFOQQF-UHFFFAOYSA-N 368.440 4.207 0 40 FIAB COC(=O)c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)ccc1Cl 12791359 RNIWIEFJXFTQEA-UHFFFAOYSA-N 359.596 4.081 0 40 FIAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccn(C)n1 12852051 RWHVPAKMEZITOK-AWEZNQCLSA-N 374.794 4.168 0 40 FIAB CCc1ccc(-c2nc(Cn3cnc4sccc4c3=O)cs2)cc1 12907142 WUBPUEGOAHFDCM-UHFFFAOYSA-N 353.472 4.192 0 40 FIAB O=C(CCc1ccccc1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 13267099 ACZRTTOMPCNMTE-OAQYLSRUSA-N 359.473 4.058 0 40 FIAB COc1ccc(C2=NN3[C@H](CCSC)Oc4ccccc4[C@@H]3C2)cc1 13777230 MKXULTBIOLSYCQ-ICSRJNTNSA-N 354.475 4.318 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 15746580 WTMDCHNWHQABOS-FTUNRGFVSA-N 351.402 4.164 0 40 FIAB Cc1cc(C)c(NS(=O)(=O)c2ccccc2Br)c(C)c1 16101165 WXKTXMJOXSPKIB-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB Brc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 19359689 GBXHMRVYCXYMNZ-UHFFFAOYSA-N 373.338 4.200 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N[C@H](c1cccnc1)C2 19550765 WTUQMCKADDZURO-UGKGYDQZSA-N 364.420 4.214 0 40 FIAB Cc1onc(-c2ccncc2)c1C(=O)NC1(c2ccccc2F)CCCC1 19579730 SYQFMJNCKLCRTB-UHFFFAOYSA-N 365.408 4.383 0 40 FIAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2cccc(Cl)c2)o1 20745393 FGLJMSIUUFYFIR-HNNXBMFYSA-N 371.849 4.436 0 40 FIAB O=C(NCCc1ccccn1)c1cc(-c2ccccc2)nc2ccccc12 21773582 MGGDAKIJYOYIPF-UHFFFAOYSA-N 353.425 4.269 0 40 FIAB c1csc(-c2noc(CCCSc3ccc4c(c3)OCCO4)n2)c1 27318182 VGJZZXLQPVAKDZ-UHFFFAOYSA-N 360.460 4.294 0 40 FIAB COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 27664510 CWHHYTQFGKVKKI-HXUWFJFHSA-N 372.896 4.306 0 40 FIAB biogenic C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccsc1 30557712 ULZXJYCVRHAUIC-GFCCVEGCSA-N 355.912 4.218 0 40 FIAB CC(C)(C)c1nc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cs1 32315462 VJULXCNKSJZHKX-UHFFFAOYSA-N 350.793 4.323 0 40 FIAB O=C(CCc1ccccc1Cl)NCc1cccc(CN2CCCC2)c1 32462717 GKVNVOYHLWCNQT-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB O=C(O)c1csc(-n2nc(/C=C/c3ccccc3)cc2C(F)(F)F)n1 33416452 LFPUQHWQRPZNJK-VOTSOKGWSA-N 365.336 4.216 0 40 FIAB O=C(CNCCc1ccccc1)N1c2ccccc2CCc2ccccc21 35311533 MNWWBUQDTJWWKP-UHFFFAOYSA-N 356.469 4.282 0 40 FIAB O=C(Cn1c2c(c3ccccc31)CCC2)Nc1cccc(-c2cnco2)c1 36708648 VZWIOGGJECAIAU-UHFFFAOYSA-N 357.413 4.424 0 40 FIAB C[C@H]1CN(C(=O)[C@@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@H](C)O1 37195915 JAYYSEHOJJNLGI-SOUVJXGZSA-N 352.434 4.022 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38853456 PDBUOVZHEGJNBN-AWEZNQCLSA-N 364.823 4.469 0 40 FIAB Cc1cccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39772425 ZWLZNLQGKWARFV-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB Cc1c(C(=O)N[C@H](C)c2ccccc2OC(F)F)oc2c1C(=O)CCC2 40133039 IKAJTWQNDPXXSZ-LLVKDONJSA-N 363.360 4.199 0 40 FIAB CCCCOc1ccc2cc(S(=O)(=O)Nc3cccnc3)ccc2c1 41091712 PLIRCDHMQBFBDK-UHFFFAOYSA-N 356.447 4.215 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 44904478 YVEDIMCPONMQIM-CEXWTWQISA-N 360.542 4.062 0 40 FIAB Cc1c(C(=O)Nc2cnc3c(c2)c(C)nn3C)oc2c(Cl)cccc12 48234591 AEHOMDOZTTXWFY-UHFFFAOYSA-N 354.797 4.237 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 56340694 YKEHDCLTDOCSOX-UHFFFAOYSA-N 370.518 4.349 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 58265326 ANMUGAFZDRFYNA-AWEZNQCLSA-N 360.866 4.202 0 40 FIAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1csc(-c2ccccn2)n1 65551594 WXZXIFVULNMUOJ-LJQANCHMSA-N 372.453 4.120 0 40 FIAB Fc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 67898530 CSVFCSXUJLDXEV-IBGZPJMESA-N 371.843 4.443 0 40 FIAB biogenic,in-vitro CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)cc1Cl 69782944 YAFXEYRPOZZLCY-UHFFFAOYSA-N 352.217 4.384 0 40 FIAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NC1CCCCC1 71326343 NDWWFICXWMVYSS-UHFFFAOYSA-N 350.875 4.306 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C=O)cn1)C1CCCCC1 72215669 ZSJFGGFOZVLSJI-SFHVURJKSA-N 373.497 4.449 0 40 FIAB O[C@@H](CN(Cc1c(F)cccc1Cl)C1CC1)c1ccc(F)c(F)c1 95353002 XWFZDMMZHRHKLC-SFHVURJKSA-N 355.787 4.455 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccn(CC(F)(F)F)n1 96003875 GBMAIWCPXAKUIB-GFCCVEGCSA-N 354.376 4.008 0 40 FIAB Cc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)cc1 96296181 ZZIMGNQZVTVDHI-FQEVSTJZSA-N 369.415 4.237 0 40 FIAB biogenic,in-vitro CCOC(=O)CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C(C)(C)C 97165008 UOXFRDLYQMJJDY-UHFFFAOYSA-N 363.841 4.404 0 40 FIAB COc1ccc(C)cc1CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100765393 PYZWXZLBMJKJGH-ROUUACIJSA-N 355.453 4.157 0 40 FIAB CC(=O)[C@H]1[C@H](N(C)C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917577 KIIFJDKQTHOFGN-LXGBQXIBSA-N 359.554 4.055 0 40 FIAB COc1ccc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cn1 219043316 MVJLJNIGIKFULX-INIZCTEOSA-N 362.882 4.064 0 40 FIAB COc1ccc2cc(S(=O)(=O)NC(C)(C)Cc3ccccc3)ccc2c1 222725330 ODONCMBHTBQUJB-UHFFFAOYSA-N 369.486 4.148 0 40 FIAB COc1cc(C)c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1C(C)C 222744022 LCALQCAVKKJSLT-OAHLLOKOSA-N 369.461 4.389 0 40 FIAB COc1ccc(C(=O)NC2CC2)cc1COc1ccccc1C(C)(C)C 224166132 USUVFFZILXVRHB-UHFFFAOYSA-N 353.462 4.464 0 40 FIAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)Cc1ccc(F)cc1 224337029 SAESPVFCTQGSDW-UHFFFAOYSA-N 369.371 4.345 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1CN1CCCC1 224787502 SUZRUEGEGVLOTO-QFIPXVFZSA-N 366.505 4.065 0 40 FIAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225007509 VYLMYIFEWYIVEN-RBUKOAKNSA-N 354.523 4.379 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C)cc1 225486035 LHPAEGVVCZXJEY-GOSISDBHSA-N 355.507 4.135 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225535003 CVRYDPMSGGEAFC-UHFFFAOYSA-N 363.479 4.327 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(F)c(Cl)c1 225582050 GRQMZNBOOJUKJG-AWEZNQCLSA-N 357.926 4.420 0 40 FIAB CCN(CC)CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225607133 WWMRVJYLOTWWGA-OAQYLSRUSA-N 364.530 4.187 0 40 FIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812510 DOWNRSPLJKBICN-DYESRHJHSA-N 362.514 4.084 0 40 FIAB Cn1cc(NC(=O)N2CCC(c3nccs3)CC2)c(C2CCCCC2)n1 333594877 BZKMJFTVZGYDTB-UHFFFAOYSA-N 373.526 4.336 0 40 FIAB Cc1cccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCC3)c1 408580174 AXQOFPCSJNKCPC-UHFFFAOYSA-N 367.396 4.023 0 40 FIAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409102646 BOKGCAVEEZWSTN-HBUWYVDXSA-N 368.399 4.212 0 40 FIAB Cc1nn([C@H](C)CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 409412797 GNHJNBGJOMDYSY-MLANFMPGSA-N 365.521 4.458 0 40 FIAB CCc1cc(N[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccc1F 585081802 FNUGYSXIJNRZEA-AWEZNQCLSA-N 362.470 4.101 0 40 FIAB O=C(Nc1cccc(CN2CCCc3n[nH]cc32)c1)c1ccccc1Cl 585085041 OHQCOMGJARVYHH-UHFFFAOYSA-N 366.852 4.268 0 40 FIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc(OC)c(Cl)c1 1565524357 KDCFRDIXVHZWLA-UHFFFAOYSA-N 361.854 4.411 0 40 FIAB Cc1ncccc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615120061 JTILXYAPCAYIOK-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)cc1C 941804 LOHAPWLIHRPPDF-UHFFFAOYSA-N 354.837 4.356 0 40 FIAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C(F)(F)F)c1 2319194 RYKZMWLVVBUZCW-UHFFFAOYSA-N 362.307 4.226 0 40 FIAB CCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2393659 ZBSLQUCYOZXEEZ-UHFFFAOYSA-N 374.444 4.324 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(SC(F)F)cc1 3312578 AFOWZABIBNJZJX-UHFFFAOYSA-N 371.792 4.450 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 4176888 NGPRGEFLWWFSHO-UHFFFAOYSA-N 372.490 4.155 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2cccs2)o1 4330413 SJHOAPCCLZICMP-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB O=S(=O)(Nc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1F 4863391 LMWGKVOPQUUVPR-LJQANCHMSA-N 356.422 4.378 0 40 FIAB COc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C1CCCCC1 4887815 BJRCVQCNUFNUGY-JLYLLQBASA-N 356.510 4.143 0 40 FIAB O=C(Nc1ccc(O)c(NC(=O)NC2CCCCC2)c1)NC1CCCCC1 5568145 SGBPJCYPVGJKGJ-UHFFFAOYSA-N 374.485 4.301 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)c(OC)c1 5619492 XDDFQQKYEKJLHK-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1cccnc1Cl 6064368 FTDXLNXNQJCGGP-UHFFFAOYSA-N 372.852 4.258 0 40 FIAB C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1ccc(F)cc1 6112626 IIQHTHBJXISCBZ-SNVBAGLBSA-N 373.478 4.438 0 40 FIAB CCCSc1nc(SCCO)c2sc3c(c2n1)COC(C)(C)C3 6759789 WIGAKUVVYJWEBX-UHFFFAOYSA-N 370.565 4.129 0 40 FIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2c(s1)CCCCC2 6987821 HPLSTWNKSMVYRE-UHFFFAOYSA-N 354.475 4.396 0 40 FIAB CCOC(=O)Nc1cccc(C(=O)Nc2cccc(Br)c2)c1 7069800 DTESSNMIZLGBGZ-UHFFFAOYSA-N 363.211 4.270 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 7109595 FPZRELWDKAFZLO-UHFFFAOYSA-N 374.487 4.247 0 40 FIAB CC(C)n1c(SCCOc2ccc(F)cc2)nc2ccccc2c1=O 7236771 MWSGVBSMUGSRQH-UHFFFAOYSA-N 358.438 4.288 0 40 FIAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 7277595 RPUBDIWMTFNHEZ-AWEZNQCLSA-N 370.396 4.160 0 40 FIAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)o1)c1cc2ccccc2o1 7328574 ZBAMLRUUYPGBCU-LLVKDONJSA-N 369.402 4.045 0 40 FIAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1Cl 7476623 RWSYYOLVLKGRMT-UHFFFAOYSA-N 360.885 4.001 0 40 FIAB COc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 7604335 NRLBPQNFQZDPSN-UHFFFAOYSA-N 370.408 4.436 0 40 FIAB O=C(Cc1noc2ccccc12)OCc1ncc(-c2ccc(Cl)cc2)o1 7865197 LMTBLUPWHHMFFZ-UHFFFAOYSA-N 368.776 4.422 0 40 FIAB O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7929091 FTSASYLXEJPQHT-OAHLLOKOSA-N 365.816 4.452 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(Cl)cc1Cl 8493017 HCALRLUHABHMTF-HNNXBMFYSA-N 368.260 4.476 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCC3CCCC3)ccc21 10972085 FXSMQOUHMJMPJQ-UHFFFAOYSA-N 358.482 4.367 0 40 FIAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4cc3N)CC2)cs1 12087840 WQAYBTAAAOLZKF-UHFFFAOYSA-N 351.475 4.207 0 40 FIAB COc1ccccc1-c1cccc(CNc2ccc3c(c2)OCC(=O)N3)c1 12222709 MRMJXYUOANWZFG-UHFFFAOYSA-N 360.413 4.305 0 40 FIAB COc1ccc2[nH]cc([C@@H]3CCN(Cc4cccc(OC)c4OC)C3)c2c1 12329473 BAJQQEPHDNRXPY-OAHLLOKOSA-N 366.461 4.183 0 40 FIAB Cc1ccc(CSCC(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 12541104 HNJARMCLIFIUOT-IBGZPJMESA-N 365.502 4.052 0 40 FIAB COc1ccc2nc(SCc3nc(-c4ccc(C)c(F)c4)no3)[nH]c2c1 12547244 DOZGNCRJOGXMHR-UHFFFAOYSA-N 370.409 4.361 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc1 12599062 XTKUWXVJCNHFIF-UHFFFAOYSA-N 356.422 4.351 0 40 FIAB COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1OC(F)F 12768536 JKPXXDKVFHSTCJ-GHMZBOCLSA-N 367.314 4.148 0 40 FIAB COc1cc(CN[C@H](C)c2nnc3ccccn23)cc(Cl)c1OC(C)C 12940843 XUCWRYHCJYQXKJ-CYBMUJFWSA-N 374.872 4.029 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(=O)O)ccc1Cl 13167909 FMBZQHDMACYQHP-UHFFFAOYSA-N 356.765 4.254 0 40 FIAB COc1ccc(CN(Cc2sccc2C)C[C@H]2CCCO2)cc1OC 13994157 DIYXKNBRKIOHSS-QGZVFWFLSA-N 361.507 4.255 0 40 FIAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc2cccnc12 14256072 ZFRQWBYYAXJVOU-UHFFFAOYSA-N 352.337 4.054 0 40 FIAB Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1S[C@H](C)C(N)=O 15545081 JZDWIVQPOWIOSZ-OAHLLOKOSA-N 351.475 4.122 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 20038090 JQFXAGUBBKUOLA-NRFANRHFSA-N 355.453 4.464 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609857 WHYXSDSKCQAEBT-UHFFFAOYSA-N 372.428 4.462 0 40 FIAB Cc1cc(C)cc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)c1 21170887 KICYLYAMQZEUPJ-OAQYLSRUSA-N 372.553 4.329 0 40 FIAB CC[C@H](C)[C@@H](C(=O)OCc1nc(-c2cccnc2)no1)c1ccccc1 22130797 XMGUEJZGMZBUAL-KBXCAEBGSA-N 351.406 4.005 0 40 FIAB CCn1cc(C(=O)Nc2ccc(F)cc2F)c(=O)c2cc(Cl)ccc21 22234880 VQAXROGACITDOP-UHFFFAOYSA-N 362.763 4.205 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 22960178 SURKCDHDBHHFBQ-LJQANCHMSA-N 366.461 4.354 0 40 FIAB CC(C)[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 24082716 DSKVDEOGUDSDRW-JOCHJYFZSA-N 363.461 4.130 0 40 FIAB CC[C@@H](C)[C@@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccccc1 24830899 PJBZUHLRYOTGLJ-AUUYWEPGSA-N 359.491 4.167 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)cc1OC 25618217 KDKUCUPHCCSZLX-UZLBHIALSA-N 369.486 4.084 0 40 FIAB COCCCNCC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1 27579179 UYNFELVRVODKBT-HXUWFJFHSA-N 353.934 4.474 0 40 FIAB CCCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 27581347 KGYBBQAPZPZHNN-GOSISDBHSA-N 358.507 4.104 0 40 FIAB COc1cccc(NC(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c1 28305089 YKKZZFKBGYWPIW-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB Cc1ccc(-c2noc(CSCC(=O)N[C@H](C)c3ccccc3)n2)cc1 28908031 URLLWXYLXUVAHD-OAHLLOKOSA-N 367.474 4.156 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1OCC 30852552 VLEKKTSNVLXPJM-SJORKVTESA-N 371.477 4.437 0 40 FIAB COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 30874024 FHXICSZLSBJIDP-HSZRJFAPSA-N 361.441 4.288 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)OCc1cc(-c2ccccc2)no1 31157634 BYRDEYSWUQOJMJ-UHFFFAOYSA-N 362.307 4.421 0 40 FIAB O=C(CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)-c1ccccc1C2 32686375 KVYGTBGGHVQGMG-UHFFFAOYSA-N 368.480 4.263 0 40 FIAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2nc3ccccc3s2)cc1 32932802 UDJDCWNKQUBJIG-CYBMUJFWSA-N 371.531 4.477 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C[C@H](O)COc2ccccc2F)cc1 34894780 IXBUGEWJPBWPTL-RXVVDRJESA-N 373.468 4.191 0 40 FIAB O=C(Nc1ccccc1F)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289585 ZQQGMRYAYHADMW-MRXNPFEDSA-N 361.804 4.114 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 36108783 XDPZHIJWIWNZPE-AWEZNQCLSA-N 356.422 4.331 0 40 FIAB c1ccc(-c2csc3ncnc(N[C@@H]4CCN5CCCC[C@H]45)c23)cc1 36389591 SBUYOVDDXFAHBK-IAGOWNOFSA-N 350.491 4.397 0 40 FIAB O=C(CCn1ccc2c(Br)cccc21)NCCc1ccccc1 40268289 UIKQPMWCFJCZDP-UHFFFAOYSA-N 371.278 4.153 0 40 FIAB COc1ccc(N[C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(OC)c1 42471139 WRELWDLYWGMJNC-LBPRGKRZSA-N 357.385 4.374 0 40 FIAB CN(Cc1ccc(Br)s1)C(=O)Nc1cc(F)ccc1F 43234947 HRUZSQPZZMMIAG-UHFFFAOYSA-N 361.211 4.453 0 40 FIAB O=C(c1cc(Cl)c(C(=O)N2CCCCC2)c(Cl)c1)N1CCCCC1 45919959 YAZBTBZKXHLJHO-UHFFFAOYSA-N 369.292 4.246 0 40 FIAB C[C@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccc(OC(F)F)cc1 48312523 SQMBZMZWIKIBGB-ZDUSSCGKSA-N 358.388 4.200 0 40 FIAB CSc1ccc([C@@H](C)NC(=O)C[C@@](O)(c2ccco2)C(F)(F)F)cc1 48355716 WUVHOFGUBAHHIO-BDJLRTHQSA-N 373.396 4.019 0 40 FIAB CN(C(=O)N[C@@H]1CCOc2c(Cl)cccc21)[C@@H]1CCc2ccccc21 56805210 TVEVNESWIYYHHC-QZTJIDSGSA-N 356.853 4.493 0 40 FIAB Cc1cccc(OCCNC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)c1 58144922 XDMZRILRHDBYSX-MRXNPFEDSA-N 363.461 4.184 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)N(C1CC1)[C@H]1CCc2ccccc21 58316616 GWPWXKSGZVRQQQ-FQEVSTJZSA-N 373.456 4.348 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(Cl)c2)cc1 58411624 NCDYFFDUBJFRBL-UHFFFAOYSA-N 358.854 4.208 0 40 FIAB COc1ccc(NC(=O)c2cnn(-c3ccccc3Cl)c2)c(Cl)c1 64396430 YSSZMDNPWVJVGX-UHFFFAOYSA-N 362.216 4.440 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2cn(C)nc2C)S1 71287137 CFSRXABFQNVATE-MRXNPFEDSA-N 359.499 4.412 0 40 FIAB Cc1ccc(C)c(CNc2cccc(C(=O)N3CCSCC3)c2C)c1 72054580 WPSUJSVRFLIWMK-UHFFFAOYSA-N 354.519 4.413 0 40 FIAB COc1cc(CN(C)Cc2ncc(C(C)(C)C)o2)ccc1OC(F)F 72277278 PZJLXMIOSRQOCT-UHFFFAOYSA-N 354.397 4.214 0 40 FIAB O=C(/C=C/c1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165849 SGCAICRBIYQWMP-ICQOZSIZSA-N 364.445 4.376 0 40 FIAB CCO[C@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc(C)o3)n2)C12CCCC2 76068035 RAJGTOIHTZFBNM-SJORKVTESA-N 374.506 4.108 0 40 FIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccccc1C 76556353 WJEIMPCNRHZPCA-HXUWFJFHSA-N 363.461 4.107 0 40 FIAB CSc1cccc(NC(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c1 79104166 XONCNCTYLXOHLG-UHFFFAOYSA-N 352.500 4.431 0 40 FIAB C[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 84697709 AJUSCAQPGDERPQ-HNAYVOBHSA-N 370.880 4.212 0 40 FIAB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 95470880 DKZTULROYOFUNS-XNTDXEJSSA-N 369.808 4.065 0 40 FIAB CCCCc1nc(C)sc1C(=O)NC1CCN(Cc2ccccc2)CC1 95473320 FJURLLXCJRVYJK-UHFFFAOYSA-N 371.550 4.189 0 40 FIAB CN(Cc1ccccc1)[C@H]1COC2(CCN(Cc3ccsc3)CC2)C1 96220951 KRGVMSGYKWBINW-HXUWFJFHSA-N 356.535 4.004 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)cc1C 100423696 SNFOZKYWNCUNHB-OALUTQOASA-N 369.534 4.378 0 40 FIAB CCN1CCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 216840502 WJQIRZUQTFWMDO-UHFFFAOYSA-N 355.869 4.286 0 40 FIAB Cc1ccc(N2CCC(C(=O)NCc3cccc(OC(C)C)c3)CC2)cc1 219860268 VRKXZWGFRSADNS-UHFFFAOYSA-N 366.505 4.315 0 40 FIAB COc1ccc(CCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1OC 223462410 UPNBYVBYHXOOCF-KRWDZBQOSA-N 355.478 4.439 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2C)cc1C(C)C 225475063 OFHFEHMKUFJSRD-INIZCTEOSA-N 361.507 4.475 0 40 FIAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 225714775 DKEJASXHTQGJHX-PGRDOPGGSA-N 374.525 4.085 0 40 FIAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccc(Cl)cc1 226103917 INZMOHRZNSTCAE-UHFFFAOYSA-N 368.824 4.300 0 40 FIAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)cc3N)o2)C1 226304945 GMDTXLDOVAYLHP-NSHDSACASA-N 363.255 4.163 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)[C@@H]3CC[C@@H]3c3ccc(F)cc3)CC2)no1 529418211 NECAJXKKIOLJOY-QZTJIDSGSA-N 371.456 4.232 0 40 FIAB CC(C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC[C@@H]21 585107999 SSSRNBUZKPXCEU-MDNKFWRPSA-N 360.929 4.022 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)Cc1nc2ccccc2n1C 600516416 AVGUASZBSCUUJB-HLIPFELVSA-N 371.525 4.009 0 40 FIAB COc1ccc([C@H]2CCN(C(=O)N[C@@H]3CCCOc4ccccc43)C2)cc1 624234555 YDGWBBBLKACBGQ-FXAWDEMLSA-N 366.461 4.108 0 40 FIAB Cc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c(C)c1 808659 YXZNDLNRYSZJPF-JOCHJYFZSA-N 358.441 4.354 0 40 FIAB C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)C1 819315 FONPIRYEFWXGSX-AWEZNQCLSA-N 369.336 4.464 0 40 FIAB Cc1ccc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 843003 ZDLYCTHVBVAONV-HNNXBMFYSA-N 353.472 4.431 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 1008339 GYQZANIAXFTPAF-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB Cc1ccc(-c2cc3nc(C)cc(NCC(C)(C)CN(C)C)n3n2)cc1 1340695 FDLVBGDTQJBRTP-UHFFFAOYSA-N 351.498 4.013 0 40 FIAB Fc1ccc(-c2cc3nc4c(c(NC[C@@H]5CCCO5)n3n2)CCCC4)cc1 1341475 TXYPRCWUJLEMMK-INIZCTEOSA-N 366.440 4.005 0 40 FIAB CCCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1OC 1934671 CWERDICJRDFNPC-YRNVUSSQSA-N 371.433 4.153 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2[nH]c2ccc(Br)cc23)C1 2359332 FENJOPCRPSRKTO-GHMZBOCLSA-N 359.271 4.356 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4ccccc4)nn12)CC(C)(C)OC3 2437156 HHVDPLZXJHINPO-UHFFFAOYSA-N 350.447 4.166 0 40 FIAB O=C1C[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1Cl 2649555 LNSXDUVDFRFGJY-ZDUSSCGKSA-N 368.742 4.103 0 40 FIAB CC(C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21 2721540 YEVGWHKARRBDHA-UHFFFAOYSA-N 353.441 4.194 0 40 FIAB CCCCn1c(=O)c2oc3ccccc3c2n(Cc2ccccc2C)c1=O 4316110 XYXPVYLVPRMWRW-UHFFFAOYSA-N 362.429 4.066 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 4340655 WMTSUBVQIXBKEW-GFCCVEGCSA-N 372.804 4.362 0 40 FIAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@]2(C)C(=O)C1 4775102 XYNRKPILEBARLO-YONMRROGSA-N 360.494 4.099 0 40 FIAB Cc1cccc(Cn2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2=O)c1 5269723 LNCBPWGGMYYGLY-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4nccs4)c(C)c3cc12 6624241 RNVLGJWJTDDUCD-UHFFFAOYSA-N 368.414 4.184 0 40 FIAB biogenic Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)n1C 6658425 CHYOKVVTBMHOMA-UHFFFAOYSA-N 358.511 4.210 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(C)o1 6968566 IJJJCOIDRDGZQM-UHFFFAOYSA-N 356.403 4.043 0 40 FIAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCCSc2ccccc21 7777773 RQJPPSSQXTVNDQ-UHFFFAOYSA-N 361.850 4.254 0 40 FIAB c1ccc2c(-c3nnc(SC[C@@H]4CCCCO4)n3C3CC3)c[nH]c2c1 7790269 IYDJJRZGCNIUJX-AWEZNQCLSA-N 354.479 4.423 0 40 FIAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 7928117 MXEFQMNVNAWMJA-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc2ccccc2c1 8163764 RWLSVGJFXANRRJ-MRXNPFEDSA-N 373.456 4.406 0 40 FIAB C[C@@H](NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1 8305373 QNBGECXPYVFQND-IBPQLXRUSA-N 361.800 4.141 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCC(C)C 8498270 MMYLDWXYAPIGIZ-SFHVURJKSA-N 372.440 4.008 0 40 FIAB COc1ccc(-c2noc(-c3ccccc3NC(=O)CC(C)C)n2)cc1 8560399 XCSYWMVFWUVWTD-UHFFFAOYSA-N 351.406 4.397 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 8654818 BONPOBXUZCZYHC-FQEVSTJZSA-N 372.896 4.306 0 40 FIAB biogenic Cc1[nH]c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc1Cc1ccccc1 8725169 XGUSAYMGFDLDLO-INIZCTEOSA-N 365.502 4.453 0 40 FIAB C[C@@H](Sc1nc(N)c2ccsc2n1)c1nc(-c2ccccc2)no1 9209207 IVYHJQMJUUKLKS-SECBINFHSA-N 355.448 4.177 0 40 FIAB Cc1cccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 10382267 MOOUBILGZJTKLC-UHFFFAOYSA-N 357.885 4.388 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1Cl 10456729 STBANBGDYLPORI-UHFFFAOYSA-N 360.860 4.395 0 40 FIAB Cc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(Br)c1 10642332 VQEJPOFRJJESQN-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(N(C)C)cc1 10899283 MTDMDXJYQRSNPH-UHFFFAOYSA-N 351.494 4.015 0 40 FIAB COc1cc(OC)c(NC(=O)CCn2ccc3ccccc32)cc1Cl 11604608 HFMFUZUMAYUPMD-UHFFFAOYSA-N 358.825 4.341 0 40 FIAB CC(C)COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 11914983 WSZKEJPBFHIYSF-UHFFFAOYSA-N 353.447 4.492 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@H]1c1ccc2nccnc2c1 12420923 FXOXEIZHIQVHCC-KRWDZBQOSA-N 374.425 4.276 0 40 FIAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccs1)C3 12653228 OKFGZAVEQRTDKD-GFCCVEGCSA-N 372.519 4.237 0 40 FIAB CCCCn1c(S[C@@H](C)C(=O)NCc2cccs2)nc(C)c1C 12760347 QVCJQHHQQIXWEH-AWEZNQCLSA-N 351.541 4.159 0 40 FIAB CSc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12789119 CKGAHLLEMWAKAM-UHFFFAOYSA-N 367.474 4.403 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccnn1Cc1cccs1 12810905 WYCYQNZMNHSGNN-LBPRGKRZSA-N 361.854 4.052 0 40 FIAB O=C(CCSCc1cccc2ccccc12)NC(=O)NC1CCCC1 12913348 XGFHRHKNNYWUHV-UHFFFAOYSA-N 356.491 4.232 0 40 FIAB CC(C)c1ccc([C@@H](NC(=O)c2n[nH]c(=O)c3ccccc23)C(C)C)cc1 12922202 BALFTPJLHKXEEE-IBGZPJMESA-N 363.461 4.174 0 40 FIAB Cc1cc(Cn2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)on1 14202308 BMUTWOPBVPKLKC-UHFFFAOYSA-N 357.822 4.123 0 40 FIAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3ccc(C(N)=O)cc3)cc2C1 14830381 TYTNXHMFQWOOIG-CQSZACIVSA-N 356.491 4.250 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)no1 15082068 WOTRCUSTGZUMSQ-UHFFFAOYSA-N 362.216 4.016 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)[C@@H](c1ccccc1)N1CCCCC1 19659672 SKCLQKSIVCTTOH-JOCHJYFZSA-N 374.488 4.097 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20048567 DHEOWJBTQZPHQC-FXAWDEMLSA-N 371.477 4.053 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(C(=O)O)c1 20139161 AFFRTMZFWYONAM-UHFFFAOYSA-N 355.777 4.452 0 40 FIAB O=C(O)Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 20437555 VHSAPDNXMLTGIY-UHFFFAOYSA-N 355.777 4.479 0 40 FIAB CCn1cc(C(=O)Nc2cccc(SC)c2)c(=O)c2cc(C)ccc21 22234667 UBYHTVPUPYYQOS-UHFFFAOYSA-N 352.459 4.304 0 40 FIAB CCc1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)s1 23140932 RMLIZSQABMRLHI-UHFFFAOYSA-N 350.875 4.165 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccsc1 25330519 RWNKXFDRPZJZRP-INIZCTEOSA-N 358.438 4.180 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27663775 QIUVYYNLSNCASM-UHFFFAOYSA-N 364.401 4.387 0 40 FIAB COc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1C 27664355 AZXFAYXWEBUDDT-UHFFFAOYSA-N 367.405 4.093 0 40 FIAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc2c(c1)OCO2 27686046 OHUADLRKSWDYAR-CYBMUJFWSA-N 360.413 4.332 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1C 27746741 MHXHBVDULWXQCM-UHFFFAOYSA-N 357.797 4.349 0 40 FIAB Cc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c2c(C)noc2n1 32342180 UNDCJNFSBCDKRZ-LBPRGKRZSA-N 366.446 4.283 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 32755384 IBSDZZQOIDNBII-CYBMUJFWSA-N 360.479 4.132 0 40 FIAB Cc1ccc([C@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C2CC2)cc1 32809317 CLGOFFXPCNXLFG-FQEVSTJZSA-N 371.864 4.325 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1Cc2ccccc2O1 32854823 YDYLUJWSJMNJNH-IBGZPJMESA-N 351.402 4.060 0 40 FIAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cncn1-c1ccccc1 32865077 LZZNMSGNYKIHIX-UHFFFAOYSA-N 361.323 4.066 0 40 FIAB CN1C(=O)CN=C(c2ccc(Cl)cc2Cl)c2cc(Cl)ccc21 33982837 KGWQEGWPIKZFLU-UHFFFAOYSA-N 353.636 4.461 0 40 FIAB CSc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38852537 HUVHOCDQWLVISR-INIZCTEOSA-N 358.482 4.398 0 40 FIAB CSc1nccn1-c1ccc(C(=O)Nc2ccccc2C(C)=O)cc1 40140387 NKHCTUHPVQRPLG-UHFFFAOYSA-N 351.431 4.049 0 40 FIAB CCCc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1 44080232 BAEHHOIGNWFPHG-UHFFFAOYSA-N 351.494 4.425 0 40 FIAB CCSc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 44873223 BGWNGTJCGFUFDV-UHFFFAOYSA-N 354.519 4.324 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)Nc1cc(F)c(N(C)C)c(F)c1 48310865 VSEYJLXJTXWTDO-UHFFFAOYSA-N 353.800 4.348 0 40 FIAB O=C(CCc1csc2nc(C3CC3)cn12)Nc1nc2ccccc2s1 56903738 DNFYNUUEQPHEKK-UHFFFAOYSA-N 368.487 4.454 0 40 FIAB COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccco2)c1 57456513 CJSWSBOADXEQIE-FQEVSTJZSA-N 350.418 4.100 0 40 FIAB Cc1cc(C)c2cc3c(nc2c1)OCC(=O)N(Cc1ccccc1Cl)C3 57709604 NNIPYGYROFVMNT-UHFFFAOYSA-N 366.848 4.426 0 40 FIAB CN(C(=O)c1cc(Br)c[nH]1)[C@@H](c1ccccc1)c1ccccn1 58432790 OIQIQELZOAPWHA-KRWDZBQOSA-N 370.250 4.034 0 40 FIAB CSc1ncccc1C(=O)N(CCc1ccccc1)Cc1ccccn1 62017894 UVFZYSJXWTWZNQ-UHFFFAOYSA-N 363.486 4.084 0 40 FIAB C[C@@H]1CCCCN1CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 69516724 WHRAIPWGUZXPNX-MRXNPFEDSA-N 353.510 4.041 0 40 FIAB COC(=O)Nc1cccc(NCc2cc(=O)oc3c(C)c(C)ccc23)c1 71818381 NMBZSQONPYSETO-UHFFFAOYSA-N 352.390 4.200 0 40 FIAB CCCCNc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213668 OWWJOCUTRGWOSL-LJQANCHMSA-N 373.522 4.128 0 40 FIAB Cc1cnc2[nH]c(C3CC3)c(CN(C)C[C@@H]3COc4ccccc4O3)c2c1 72395255 FHFMGQIXRQUXAC-MRXNPFEDSA-N 363.461 4.021 0 40 FIAB Cc1nc(C)n(-c2ccc(C(=O)N3CCCSc4ccccc43)cc2)n1 79449431 HACHCPZLSKPWJP-UHFFFAOYSA-N 364.474 4.027 0 40 FIAB Cc1cnn(-c2ccc([C@H](C)N[C@H](C)c3cnc(C)nc3C)cc2F)c1 90118065 CVLIAODPVRRYJW-UONOGXRCSA-N 353.445 4.138 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1c1nc2ccccc2o1 96122586 QCXRGLFNEWSQGO-MRXNPFEDSA-N 355.825 4.397 0 40 FIAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 100738780 ZIJVHCXNMOESAE-UWUNEBHHSA-N 366.509 4.365 0 40 FIAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccnc4ccccc34)C2=C(O)C1 102737886 JALGUQMJMPJZBV-KRWDZBQOSA-N 361.405 4.489 0 40 FIAB CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cnn([C@H](C)C3CC3)c1)CCC2 189729515 MQSYTCPDRGGZOS-MLGOLLRUSA-N 373.526 4.414 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 219057645 YOQWZSZYOXWSSI-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB Cc1ccccc1CSCCNC(=O)CSCc1ccccc1F 222700306 ZQYKBLKYAUXRHI-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB Cc1cccc(CSCCNC(=O)Cc2ccc(Cl)cc2F)c1 223451164 QATBEGUPNRTQPI-UHFFFAOYSA-N 351.874 4.380 0 40 FIAB Cc1cc(NC(=S)N[C@@H](C)c2ccccc2)ncc1Br 223956285 WGPHLVZQDWLGRA-NSHDSACASA-N 350.285 4.200 0 40 FIAB O=C(c1ccc(NC(=S)NC2CCCCCC2)cc1)N1CCCCC1 225354242 LZHPMEMUTZWKNB-UHFFFAOYSA-N 359.539 4.322 0 40 FIAB CCOc1cccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 225457893 IGYMJRZUKGYPNV-UHFFFAOYSA-N 366.490 4.066 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccccc2)cc1 225579178 NUIWCVYTCRQENT-SZHLLGMXSA-N 374.440 4.236 0 40 FIAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cc1C(=O)OCC 225838799 PRQOSJUUYQAPOO-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2cnc3ccccc3c2)CC1 257312263 UNCGFXGZZWAGIY-SFHVURJKSA-N 366.505 4.223 0 40 FIAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1 408616500 ZHFNJWWRGDYUBL-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 408624215 BQFDWSIKTHWCII-AWEZNQCLSA-N 371.481 4.331 0 40 FIAB O=C(O)c1oc2ccccc2c1CN1CCC[C@@H]1Cc1ccc(F)cc1 570575443 SPWSLXNDTUPLLL-MRXNPFEDSA-N 353.393 4.477 0 40 FIAB CN(C)[C@H](CNC(=O)c1c(F)cccc1F)c1csc2ccccc12 575622577 ZWPWCZBBTWTEEY-MRXNPFEDSA-N 360.429 4.212 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1c1ncn2ccsc12 585182431 SVYZICCWYFOURP-KRWDZBQOSA-N 364.474 4.173 0 40 FIAB C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCc2sccc2C1 642194833 CVLIADKVMYAAAB-GFCCVEGCSA-N 367.474 4.152 0 40 FIAB O=S(=O)(NC[C@H](c1ccsc1)c1ccco1)c1ccccc1Cl 670860058 PGBRUACMCXCRPV-CYBMUJFWSA-N 367.879 4.105 0 40 FIAB Cc1ccc2[nH]c(C(=O)NCC[C@@H]3CSc4ccccc4O3)cc2c1 1299845264 BGAFJGYDOQHMMQ-OAHLLOKOSA-N 352.459 4.150 0 40 FIAB C[C@@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)c1c[nH]c2ccccc12 11601967 LUQXWCAJTMNPLB-LLVKDONJSA-N 368.487 4.302 0 40 FIAB CCN(CC)CCCNc1ccc(-c2ccc(Br)cc2)nn1 20723817 YUXLHDXVSCRXJU-UHFFFAOYSA-N 363.303 4.050 0 40 FIAB Cc1ccc(-n2cc(C(=O)NCc3ccccn3)c(-c3ccccc3)n2)cc1 20898537 FGGZTFZWBXHORZ-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1 4026484 NNMJHVBZUSISMC-BWSWGVEHSA-N 374.521 4.345 0 40 FIAB biogenic O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cc(Br)ccc1O 6514269 BIIVGWIQWGZLQS-AOLDMILESA-N 370.202 4.164 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccc(OC)cc3OC)n2)cc1 6897319 DFVYDRKTPAKTLF-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB O=c1[nH]c2ccccc2n1CCCSc1nc2ccc(Cl)cc2[nH]1 8134843 UREKYRQTIXQBMH-UHFFFAOYSA-N 358.854 4.042 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cc(C)ccc2C)n1 8476758 IXKILMJIBBYPDL-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB O=C(Nc1ccccc1O)c1cc(Br)ccc1Br 682468 HIJLQQZDCRUEOB-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB Cc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)o2)nn1C 28579039 QONJCAARFONGOW-UHFFFAOYSA-N 354.357 4.090 0 40 FIAB Cc1sc2ncn([C@H](C)C(=O)OC(C)C)c(=O)c2c1-c1ccc(F)cc1 807848 MDTDEGIIRAEALY-LLVKDONJSA-N 374.437 4.085 0 40 FIAB O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1ccc(OC(F)F)cc1 943199 POCRCPPVRGXSOR-UHFFFAOYSA-N 367.373 4.179 0 40 FIAB Cc1nc(COc2ccc([C@H]3Nc4ccccc4C(=O)N3C)cc2)cs1 24210748 YQBMJOHBXGHPDG-IBGZPJMESA-N 365.458 4.227 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 1782313 AVXXSJXGVRFVEA-SDNWHVSQSA-N 353.418 4.304 0 40 FIAB CCCn1ccnc1S[C@@H](C)C(=O)Nc1ccc(Br)cc1 12577266 CGQSGUQYXGBREZ-NSHDSACASA-N 368.300 4.175 0 40 FIAB Cc1ccccc1-c1nc(NC(=O)COc2ccc(C(C)(C)C)cc2)no1 21806676 SAJXPDOPAFSVFP-UHFFFAOYSA-N 365.433 4.360 0 40 FIAB Cc1ccnc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 10056617 CQPGJSQEPWNVFP-IBGZPJMESA-N 358.397 4.097 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)sc1C 58154327 HPRZFBWHMFYTIF-ZFWWWQNUSA-N 366.527 4.273 0 40 FIAB c1ccc2[nH]c(SCCOCCSc3nc4ccccc4[nH]3)nc2c1 12581173 BFWOFPLRSSECCJ-UHFFFAOYSA-N 370.503 4.340 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCCC2)cc1 10329991 IWCBZEPRTKURTH-IBGZPJMESA-N 350.506 4.424 0 40 FIAB O=C1CCCc2nc3nc(SCc4cccc5ccccc45)nn3cc21 2221236 OONAHXKPBRTTDM-UHFFFAOYSA-N 360.442 4.089 0 40 FIAB Oc1ccc(-c2nn3c(COc4ccccc4)nnc3c3ccccc23)cc1 2227634 DYEUWXKJBLFLOS-UHFFFAOYSA-N 368.396 4.229 0 40 FIAB O[C@@H](c1ccc(Br)cc1)[C@@H](CN1CCCC1)c1ccccc1 2333339 PKEBDCQVVWGBKG-OALUTQOASA-N 360.295 4.362 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccccc1 12612223 FNIZFBQKRHEVOZ-OPAMFIHVSA-N 360.457 4.285 0 40 FIAB Cc1cc(C(=O)COC(=O)c2cccs2)c(C)n1Cc1cccs1 3320647 AEVOQDBMALNDPK-UHFFFAOYSA-N 359.472 4.316 0 40 FIAB CCCCOc1ccccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 48289310 RWCCMELLEZKLSX-UHFFFAOYSA-N 353.397 4.443 0 40 FIAB COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)oc1ccccc12 48332598 GOGKFFXWRFDUQT-GDBMZVCRSA-N 361.401 4.070 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cnc2ccccc2n1 12811513 GQXGMIIYRYWLGM-IBGZPJMESA-N 363.417 4.350 0 40 FIAB COc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 12941850 KJNNJCVXMBLYIJ-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20143775 ZOIDXDRZSYPHQA-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)SCc2csc(C3CCCC3)n2)no1 63898522 WAOWNLJWSVVRRD-LLVKDONJSA-N 351.497 4.358 0 40 FIAB O=C1COc2ccc(Br)cc2CN1CCC1=CCCCC1 65184417 FAASUKGGFPPPAI-UHFFFAOYSA-N 350.256 4.061 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN[C@]3(C)CCc1ccc(Cl)nc1 4489457 VZBOJJWNLWHOCP-HXUWFJFHSA-N 355.869 4.219 0 40 FIAB Cc1cc(=O)oc2cc(NC(=O)CSc3ccc(Cl)cc3)ccc12 14120141 LNLZUVHFECLAIP-UHFFFAOYSA-N 359.834 4.486 0 40 FIAB Nc1nc(N)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2n1 4730751 YRYDPKOUBONUKY-UHFFFAOYSA-N 361.352 4.090 0 40 FIAB C[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NCC(F)(F)F 14736358 BWMLRUQMKGFIGB-LLVKDONJSA-N 357.759 4.453 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(Cl)cc2)c1C 6747719 ZVNUBAKBWRCSNT-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB COc1ccc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1 9204817 CMERXIVUJMBZMN-UHFFFAOYSA-N 369.392 4.035 0 40 FIAB CCSc1nnc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)s1 8924456 ZXOQXHWHZONJAB-UHFFFAOYSA-N 374.491 4.185 0 40 FIAB Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1cc(F)ccc1F 7615901 HJPSCHXLWJWDCI-UHFFFAOYSA-N 373.750 4.224 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)c(OC)c1 7741243 SOCDFAPAEBLULB-SFHVURJKSA-N 365.433 4.091 0 40 FIAB CCOc1ccc(CCC(=O)Nc2cc(OC)ccc2OC)cc1OCC 20460189 VPKHTDZXXAMDRV-UHFFFAOYSA-N 373.449 4.073 0 40 FIAB CC(C)(C)OCc1cccc(CNC(=O)CNc2ccccc2Cl)c1 72230642 ZIAXDEMTLPXSFY-UHFFFAOYSA-N 360.885 4.383 0 40 FIAB Cc1cccc(-c2noc(CN(C)[C@H]3CCCN(c4ccccc4)C3)n2)c1 72308352 GIRZMYSQJPGIAU-FQEVSTJZSA-N 362.477 4.146 0 40 FIAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cccc(OC2CCCCC2)c1 78080505 HWEKPXNDQWQOOW-UHFFFAOYSA-N 352.390 4.085 0 40 FIAB CCN(C)[C@H](C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C)c1ccccc1 95445058 AYEXOHCFLLMBTC-FQEVSTJZSA-N 362.477 4.082 0 40 FIAB CCOc1ccc(C(=O)N2CCc3c(F)cc(F)cc3[C@H]2C)cc1OC 79102235 HCWORZMQXVLDKB-GFCCVEGCSA-N 361.388 4.132 0 40 FIAB CCOC(=O)c1ccc(N(CC)CC)c(NC(=O)NC2CCCCC2)c1 26780107 CZRLCXFJIJLHKV-UHFFFAOYSA-N 361.486 4.164 0 40 FIAB Cc1cc(OC(F)F)c(C(=O)Nc2cccc(N3CCCC3=O)c2)s1 510123883 GSAPLJFBVGJYKL-UHFFFAOYSA-N 366.389 4.037 0 40 FIAB Cc1cccc(C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 35289451 XNFBTQCFDLNGKE-UHFFFAOYSA-N 371.868 4.075 0 40 FIAB Cc1cc(C(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)c(C)o1 38678421 WAGMYJFPHLIKHC-UHFFFAOYSA-N 368.458 4.069 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2ccc(CC)cc2)ccc1Cl 44899939 IQQBRZVPXOCDIG-UHFFFAOYSA-N 361.825 4.097 0 40 FIAB CCCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 40104589 CITOUGCZGXWSLK-UHFFFAOYSA-N 365.477 4.367 0 40 FIAB O=C(O)[C@H](c1ccccc1F)N1CCC(c2nc3c(s2)CCCC3)CC1 563631062 NNJGJZIRWHLXPK-SFHVURJKSA-N 374.481 4.166 0 40 FIAB COc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)O)cc1Cl 225123183 NVWAXIQVTCTPAM-INIZCTEOSA-N 355.217 4.385 0 40 FIAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 328844552 WXUOTEXGSDYLCK-WOJBJXKFSA-N 372.472 4.255 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1C(C)C 223777201 QBQHRPZTHDYQIP-HXUWFJFHSA-N 371.477 4.171 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SCC(C)C)s1 223299378 HZEORPLVEUMLAX-CQSZACIVSA-N 365.524 4.391 0 40 FIAB CC[C@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 223013896 KWDRWOOCVKLSNP-IBGZPJMESA-N 353.462 4.464 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227202 XSNLRZJZERYTQT-KXBFYZLASA-N 353.462 4.219 0 40 FIAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccs1 225144057 AGZDXLUYWKUAII-UHFFFAOYSA-N 351.493 4.285 0 40 FIAB CCc1nc(SCC(=O)Nc2ccc(O)cc2)c2cc(CC)sc2n1 49547494 FEOMXEHGQWGPJR-UHFFFAOYSA-N 373.503 4.253 0 40 FIAB CC(C)(C)c1ccc(-c2nc3cc(C(N)=O)cc(Br)c3[nH]2)cc1 226344769 OMYJJJXXCLJURY-UHFFFAOYSA-N 372.266 4.389 0 40 FIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 96459889 ADALGIXYBBPHOI-MRXNPFEDSA-N 362.429 4.087 0 40 FIAB O=C(CCCn1cccn1)Nc1ccc2c(ccn2Cc2ccccc2)c1 95473226 JUOAFRWMSAXGEG-UHFFFAOYSA-N 358.445 4.305 0 40 FIAB CCc1ccc(CN2CC[C@@]3(CCCN(Cc4nccs4)C3)C2)cc1 96215813 LBMOANJEOXTYGQ-OAQYLSRUSA-N 355.551 4.194 0 40 FIAB CC(=O)N[C@@H]1C[C@H](c2cccc(-n3nc(C)cc3C)c2)O[C@@H]2CCCC[C@@H]12 257283483 OYNSCIBBSOYORC-DXBBTUNJSA-N 367.493 4.014 0 40 FIAB CCOc1ccc(OCCOc2ccc(/C=C/C(=O)O)cc2OCC)cc1 3249570 CBCFLDLFTDHVNP-WUXMJOGZSA-N 372.417 4.040 0 40 FIAB CCc1s/c(=N\C(=O)c2ccccc2C)n(C)c1-c1ccc(OC)cc1 8080498 CHBNHRFGYJSWKX-DQRAZIAOSA-N 366.486 4.374 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)NCc2ccc(C)cc2)cc1Cl 11613823 RHNNRRISFXNVHP-UHFFFAOYSA-N 374.289 4.179 0 40 FIAB CC(C)n1c([C@H](C)NC(=O)C2C3CC4CC(C3)CC2C4)nc2cccnc21 12220597 ACZGOMWMQJJGRG-IHXKFAGKSA-N 366.509 4.262 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccc2nccnc2c1 12420921 FXOXEIZHIQVHCC-QGZVFWFLSA-N 374.425 4.276 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1C 14215266 LPUNZJOLIBPVME-CQSZACIVSA-N 362.267 4.322 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 15014024 ZCWWTRCOLLXPJX-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C)c(C)c1 17957654 DQLFGMJUZFAKQG-UHFFFAOYSA-N 362.267 4.347 0 40 FIAB CCCc1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cn1 19525791 YALMPFORSXQCOG-MQFRRQCYSA-N 365.521 4.500 0 40 FIAB CCn1c(C)nc2cc(NC(=O)C[C@H](C)n3cnc4ccccc43)ccc21 19717447 VQQGZFVPNWQQRZ-AWEZNQCLSA-N 361.449 4.304 0 40 FIAB Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 24525592 PHAZZUPYHJCFDM-DJIMGWMZSA-N 357.523 4.356 0 40 FIAB Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 639404 PUQFKVVEGDLOHR-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB Cn1c(SCc2ccc(Cl)cc2)nc2c([nH]c3ccccc32)c1=O 2720610 FFGOMENZABYUNV-UHFFFAOYSA-N 355.850 4.361 0 40 FIAB CCN(CC)CCN(C(=O)c1ccccc1)c1nc2ccc(F)cc2s1 5121848 QBDUPRVESCJCAC-UHFFFAOYSA-N 371.481 4.424 0 40 FIAB COc1cccc(-c2cc(CNC(=O)c3ccccc3SC)no2)c1 12637601 ZXIFEPCUGBJSCD-UHFFFAOYSA-N 354.431 4.002 0 40 FIAB CCCCCc1ccc(NC(=O)N2CCN(Cc3cc(C)no3)CC2)cc1 40103909 ZDKJTCZBOQFWER-UHFFFAOYSA-N 370.497 4.065 0 40 FIAB Cc1cccc(-c2nn3c(-c4cnn(-c5ccccc5)c4C)nnc3s2)c1 632843 HHSOMFVRWOZJCR-UHFFFAOYSA-N 372.457 4.322 0 40 FIAB Cc1cc2nc3c(nc2cc1C)[C@]1(C(=O)NC(C)C)CC[C@@]3(C)C1(C)C 703819 DFBZDTHKHYLLKA-YADHBBJMSA-N 351.494 4.100 0 40 FIAB COc1cc(NC(=O)COc2ccc(Cl)cc2)c(OC)cc1Cl 851374 CTSTUSBIJYDRSA-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccccc1 1402864 ARCDMDHZEVAFEZ-UHFFFAOYSA-N 373.437 4.038 0 40 FIAB COc1cccc([C@H]2N(c3cccc4ccccc34)C(=O)N3CCCN23)c1 2203768 XEUXIKNARWEUBN-OAQYLSRUSA-N 359.429 4.410 0 40 FIAB CCc1c(C)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2oc1=O 2320432 QDSWJNPHORUBSV-UHFFFAOYSA-N 371.820 4.335 0 40 FIAB CCOc1ccc2[nH]c3c(NCCc4ccccc4F)ncnc3c2c1 2410089 PJCDWLYBQCTOKZ-UHFFFAOYSA-N 350.397 4.304 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NCCC1=CCCCC1 2725872 RBPDJRPITHIMHU-AWEZNQCLSA-N 357.479 4.224 0 40 FIAB CCOC(=O)[C@H]1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1 2921790 YGVQCKTZKDKOLY-HNNXBMFYSA-N 367.474 4.138 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3C)C2=O)cc1 3067861 QKNRUFJYTXGQSE-WQRHYEAKSA-N 368.458 4.418 0 40 FIAB O=C(N[C@H](n1cnc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 3182020 JGVKACUMTBBOQR-OAHLLOKOSA-N 368.651 4.335 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(OC)c(OC)c1 3374247 GGIPNZMHMXCFCD-CQSZACIVSA-N 371.433 4.013 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)[C@@H](C)CC)cc1 3895933 UDVMZKYLMJMMRB-UGZUTAHUSA-N 374.525 4.381 0 40 FIAB Cc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1 4100996 NJYLDLYUTHYPJC-UHFFFAOYSA-N 370.840 4.012 0 40 FIAB COc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nc3ccccc32)cc1 4829944 HCZUNSBWQDJZRK-UHFFFAOYSA-N 363.442 4.337 0 40 FIAB CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 4861790 RBCZYZUFKMSLCF-HNNXBMFYSA-N 364.449 4.373 0 40 FIAB O=C(CSc1ncn[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4868709 UUKXOVBCMOZQNC-UHFFFAOYSA-N 368.506 4.003 0 40 FIAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccco2)cc1 5452000 UGRTXTLIQGXHTN-JOCHJYFZSA-N 360.413 4.167 0 40 FIAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 6152465 RWBDAHZROKZQSO-UHFFFAOYSA-N 368.452 4.187 0 40 FIAB Cc1nc(NC(=O)c2ccccc2Br)ccc1Br 6571283 QOWZCOOHPSTDEH-UHFFFAOYSA-N 370.044 4.167 0 40 FIAB COc1ccc(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)cc1 7402136 XIYYQJIALQTTPG-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C(C)(C)C)cc1 7420330 AVRGUCXOVKLLLQ-INIZCTEOSA-N 354.494 4.452 0 40 FIAB COc1cc(C(=O)O)cc(Br)c1OCc1cccc(Cl)c1 7603988 MVFAEFCKBKKOFQ-UHFFFAOYSA-N 371.614 4.388 0 40 FIAB COc1ccc(-c2nc(C(=O)NCc3ccc(C)cc3)cs2)cc1OC 7958967 RLLDDHXZAUXPJB-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB Cc1cc(CC(O)(c2ccccc2)c2ccccc2)nc2nc(O)ccc12 8672828 ICFFNUMFNRWDQF-UHFFFAOYSA-N 356.425 4.122 0 40 FIAB Cc1nnc(COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)o1 9469097 SPKKSQMIKOZHAI-UHFFFAOYSA-N 372.431 4.150 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc(OC(F)(F)F)cc1 10677640 JJTCWJBLBGLZOL-MRXNPFEDSA-N 371.380 4.015 0 40 FIAB CC(=O)[C@@H](C)OC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 10955658 AIIGMABOLBIRHG-CYBMUJFWSA-N 369.421 4.023 0 40 FIAB C[C@@H]1C[C@H]1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21 12327488 MJBYAVZRRUSJNO-RDTXWAMCSA-N 351.425 4.005 0 40 FIAB Nc1nnc(SCCC(=O)Nc2ccccc2Oc2ccccc2)s1 12553416 FIHRBPBCYNLDAD-UHFFFAOYSA-N 372.475 4.034 0 40 FIAB C[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 12808860 FCJJBNCRAAKBAE-CQSZACIVSA-N 371.868 4.027 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1ccccc1 12993431 ZEVSYNYNDNWILR-INIZCTEOSA-N 362.477 4.109 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1c(C)cc(C)cc1C)O[C@H](C)C2 12994013 ZSWQRUWBMNGSQP-MRXNPFEDSA-N 369.461 4.351 0 40 FIAB CCOc1ccc([C@@H]2C[C@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132104 MPYRAQLPXCFEAV-DLBZAZTESA-N 369.856 4.059 0 40 FIAB CCOc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 13676663 HWOLSJRSIXSSCY-UHFFFAOYSA-N 360.262 4.334 0 40 FIAB O=C(NCc1ccccc1CN1CCCC1)C12CC3CC(CC(C3)C1)C2 14076885 JLTMERBISIFQFG-UHFFFAOYSA-N 352.522 4.115 0 40 FIAB CC(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 14180221 MWGCRYRGRLNZBP-UHFFFAOYSA-N 370.456 4.285 0 40 FIAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)c(Br)c1 15584511 TUHBZSHHYVTQGY-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB C[C@H](NC(=O)COc1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 15695045 NFKHKNOTEUXSIG-ZDUSSCGKSA-N 363.379 4.450 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3ccc(Cl)cc3)cs2)cc1 15832481 CYNMRSSVADIHMJ-UHFFFAOYSA-N 372.877 4.467 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(C)(C)C 16780592 FERODRMYJOJXBR-UHFFFAOYSA-N 353.871 4.447 0 40 FIAB COc1ccc(C[C@@H](NC(=O)[C@@H]2CC=CCC2)c2ccc(OC)cc2)cc1 18705158 CZZKFOVJCLXFNT-DENIHFKCSA-N 365.473 4.460 0 40 FIAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2cc3ncccc3cn2)C1 19579563 NAJGYVSHORBJMC-INIZCTEOSA-N 364.449 4.069 0 40 FIAB CSc1nc(NCCc2ccccc2)c2c3c(sc2n1)CN(C)CC3 20391563 PIPNPPNPYWZNIY-UHFFFAOYSA-N 370.547 4.056 0 40 FIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccccc1 21787527 HOGHQGIFGOEWPB-OAQYLSRUSA-N 363.461 4.189 0 40 FIAB O=C([C@@H](Sc1ncnc2ccsc12)c1ccccc1)N1CCCC1 22005193 KGSAQMCXEMJVEG-HNNXBMFYSA-N 355.488 4.147 0 40 FIAB COc1ccc(-c2n[nH]c(SCCOc3ccccc3Cl)n2)cc1 22206596 LXOBXQSKAXCUHG-UHFFFAOYSA-N 361.854 4.305 0 40 FIAB O=C(NCCOc1ccc(F)cc1)c1cc(Br)ccc1Cl 22479946 ZWDLOTIQARBXSX-UHFFFAOYSA-N 372.621 4.050 0 40 FIAB Cc1ccc(CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 23397036 PIMGLLNPZJBXPQ-UHFFFAOYSA-N 363.461 4.417 0 40 FIAB COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220806 LFGMAQSGUKMIMQ-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB COc1cccc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1 28237766 XOADWNRTTGOORL-SECBINFHSA-N 361.751 4.072 0 40 FIAB CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccccc1)c1cccc(OC)c1 29328247 YITHKZWXNMYMBI-UTKZUKDTSA-N 369.509 4.139 0 40 FIAB CC(C)(C)SCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 29769275 DEPDRLANUXKCKH-UHFFFAOYSA-N 357.401 4.361 0 40 FIAB COC(=O)c1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1Cl 31057361 DJNXAHWFWNPQRQ-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1cc(NC(=O)Cc2noc3ccccc23)n(-c2cccc(Cl)c2)n1 32859959 ITJIJLMSCPHFMU-UHFFFAOYSA-N 366.808 4.157 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2ccccc2)c2cccs2)c1C 36389957 JHBPRCBSOALQKL-NRFANRHFSA-N 366.486 4.458 0 40 FIAB CC(C)C(NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)C(C)C 39762999 NJEDVPCQYODPCH-UHFFFAOYSA-N 368.924 4.488 0 40 FIAB CCn1c(SCCCc2nc3ccccc3o2)nnc1-c1ccncc1 40154961 BGQQRNUDPAJUCK-UHFFFAOYSA-N 365.462 4.226 0 40 FIAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Br)cc1Cl 40302530 MLWKDUYFIXIHCR-UHFFFAOYSA-N 368.662 4.003 0 40 FIAB CC(C)CN1CCC(NC(=O)N(C)Cc2csc3ccccc23)CC1 45463495 NJWVLCKDAONSPP-UHFFFAOYSA-N 359.539 4.163 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H]2CCc3ccccc32)c1 45718972 JSQCMLWBYRZKMO-JLTOFOAXSA-N 351.450 4.035 0 40 FIAB O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 47892139 NTGHGWCVHINHDY-NEPJUHHUSA-N 369.305 4.365 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)c1c[nH]cc1-c1ccc(Cl)s1 54675187 GZIJSCIRMAVLRG-UHFFFAOYSA-N 360.822 4.055 0 40 FIAB CCOc1ccc(Cl)c(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)n1 55215003 YOTDNRTUJNHRCQ-UHFFFAOYSA-N 357.797 4.349 0 40 FIAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(F)cccc1F 56301225 DGCRWUMPDCVTEW-JTQLQIEISA-N 359.294 4.181 0 40 FIAB CCC(=O)Nc1nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2s1 57313374 KIGKPGTVWIRNOI-UHFFFAOYSA-N 373.865 4.479 0 40 FIAB Cc1ccccc1C(=O)Nc1ccnn1Cc1cccc(Br)c1 58014452 KEYRGOIAGPNMKC-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 58080789 UMPNKNFUSUSDSA-CYBMUJFWSA-N 367.836 4.300 0 40 FIAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2nncn2c1 58161785 WVNRYZSVYUOWMC-UHFFFAOYSA-N 371.425 4.258 0 40 FIAB O=C(/C=C/c1ccc2c(c1)CCO2)N1CCC(Cc2cccc(F)c2)CC1 58456221 DKIMIYRRVVKJTL-FNORWQNLSA-N 365.448 4.255 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(F)c2)cc1 59344101 VMWFAJHNMWXSPT-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Sc1ccc(O)cc1 69270019 ZWUXUJIRNQOIJW-GFCCVEGCSA-N 355.415 4.460 0 40 FIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCCO3)cc1 69368194 FQTNYQXXDLCJDP-IZZDOVSWSA-N 353.418 4.289 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(OC(C)C)nc2)cc1 72211938 DLAGRTJRBDZQEZ-IBGZPJMESA-N 374.506 4.093 0 40 FIAB Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72218710 HQLJJNLWBMRENN-IBGZPJMESA-N 353.466 4.320 0 40 FIAB CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 72324993 GRCDZGPHYVVVEF-LJQANCHMSA-N 356.510 4.111 0 40 FIAB biogenic Cn1cc(CN2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cn1 72349953 DYOIHNICOKYEGD-QGZVFWFLSA-N 350.441 4.001 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)N[C@@H](c3cccs3)C3CCCC3)C2)n1 84286560 PSQXHFJSZPFJDM-NVXWUHKLSA-N 374.510 4.260 0 40 FIAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 84585331 XKWXVTRBMUPCON-GVDBMIGSSA-N 368.477 4.148 0 40 FIAB O=C(NC[C@@]1(O)CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 90745954 SNZFLAZZBYOBIW-GOSISDBHSA-N 365.260 4.035 0 40 FIAB COc1ccc(C(=O)/C=C/c2ccc(C(=O)O)cc2)c(Br)c1 95468055 RXYDMMMPODCHFU-RUDMXATFSA-N 361.191 4.052 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccsc2)S1 96116801 HZCRSKNVMRHBDP-TZMCWYRMSA-N 363.508 4.254 0 40 FIAB COc1ccc(C2=C[C@@H](c3ccccc3Cl)n3ncnc3N2)cc1OC 100755674 QWYPOOHEAOHPHF-INIZCTEOSA-N 368.824 4.005 0 40 FIAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718044 YMKIXNHLNWSIRV-AWEZNQCLSA-N 372.852 4.120 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219546195 SUPBQKJRYCDBIQ-VQIMIIECSA-N 353.462 4.489 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc2ccccc2c1 223609285 PGNKGWVVXWUHKO-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)NCCCOC1CCCC1 223981769 INAZVKAWDFOKKM-UHFFFAOYSA-N 359.894 4.178 0 40 FIAB Cc1cc(OCC(=O)NC[C@H](C)c2ccccc2)ccc1Br 224241868 NDXFTUYIQGGJPI-AWEZNQCLSA-N 362.267 4.056 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)CSc3ccccc3)ccc21 225131141 SFPPJDGNKOXJGM-UHFFFAOYSA-N 358.488 4.375 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)N[C@@H](C)CC 225344648 HDBSUGZLFQXCON-RYUDHWBXSA-N 359.297 4.035 0 40 FIAB COc1ccc(NC(=S)NCCSCc2ccco2)c2cccnc12 225349682 KYZFKZFSFDGXIZ-UHFFFAOYSA-N 373.503 4.056 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(OC)c(C)c2)cc1 225357819 WNLWLUOGYFYDGW-FQEVSTJZSA-N 355.478 4.458 0 40 FIAB C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 225474595 BGTCRWRLVYUELB-CYBMUJFWSA-N 357.454 4.000 0 40 FIAB CC(=O)c1ccc(CCNC(=O)c2csc(-c3ccccc3)n2)s1 225671673 MRIWQWLRETWQHM-UHFFFAOYSA-N 356.472 4.047 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1C 226253042 WPBWPKJFXDVSRP-UHFFFAOYSA-N 367.493 4.139 0 40 FIAB Cc1cccnc1Nc1cc([C@@H]2CCCN2Cc2cscn2)ccn1 257229211 FXEZZSVIHBQDKQ-KRWDZBQOSA-N 351.479 4.322 0 40 FIAB c1cncc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 306145145 ZZJAFHKAMKZMKH-FQEVSTJZSA-N 355.445 4.128 0 40 FIAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 408555294 WKINBIKBVJMCDS-UHFFFAOYSA-N 362.451 4.179 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 408702136 DACWDTWMDYRSKA-JOCHJYFZSA-N 367.489 4.334 0 40 FIAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@@H](c3ccccc3C)C[C@@H]2C)c1 565105822 OCBGAKJHVIAQTK-HZUJVAHNSA-N 369.461 4.016 0 40 FIAB Cc1cc(Nc2ncc(-c3ccccc3)s2)nc([C@@H]2CCCNC2)n1 585263218 PVGPADOWUYYQJY-OAHLLOKOSA-N 351.479 4.119 0 40 FIAB CC(C)(C)N1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 614408914 JDVVPTRIANYBME-UHFFFAOYSA-N 351.494 4.423 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c1 648265 DUUXMFCEYUETFT-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 663109 QVXRMPDDTGLIFT-UHFFFAOYSA-N 372.515 4.411 0 40 FIAB O=S(=O)(Nc1cccc2ccccc12)c1ccc(Br)cc1 682281 QLMNNUFBRRSPQF-UHFFFAOYSA-N 362.248 4.403 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN(CC)CC 721031 BEGZFUMDMGLHQS-UHFFFAOYSA-N 374.506 4.181 0 40 FIAB O=C(O[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1)c1cccs1 1381247 QPJPNCVHSCOGAG-QGZVFWFLSA-N 361.438 4.234 0 40 FIAB Cc1nn(-c2ccc(Cl)nn2)c(C)c1Cc1c(F)cccc1Cl 2157248 PYTMSSOBRPCOLI-UHFFFAOYSA-N 351.212 4.316 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 2512147 UMOKEEPYTLUVED-UHFFFAOYSA-N 353.853 4.092 0 40 FIAB CCOc1ccc(Nc2n[nH]c(=S)n2-c2ccc(OCC)cc2)cc1 3207115 BDXGPJBMRHDENF-UHFFFAOYSA-N 356.451 4.471 0 40 FIAB Cc1ccc(NC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 3231710 FSZTZEDQUKBOMH-UHFFFAOYSA-N 369.436 4.436 0 40 FIAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(F)cc1 3321644 NJACORQKQDDAKQ-UHFFFAOYSA-N 374.466 4.020 0 40 FIAB O=C(Cc1ccccc1)N1CCN=C1SCc1c(F)cccc1Cl 4120165 RDWJKUVICZMGGZ-UHFFFAOYSA-N 362.857 4.153 0 40 FIAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)OC)CCCC3 4151978 BISJVTLFKNFCNQ-UHFFFAOYSA-N 372.461 4.346 0 40 FIAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4184358 JZCNJJICVCQQMJ-UHFFFAOYSA-N 372.578 4.162 0 40 FIAB CCCCN(CCCC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 4792390 ZIGXMCZPXIMBRI-UHFFFAOYSA-N 362.514 4.340 0 40 FIAB CC[C@H](C)Oc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC 5000791 PNIXBHRQTHXJLK-LQELWAHVSA-N 357.431 4.279 0 40 FIAB CCOc1ccc2[nH]c3c(NCCN(C(C)C)C(C)C)ncnc3c2c1 5253022 WUMDOHTTYWSILT-UHFFFAOYSA-N 355.486 4.041 0 40 FIAB O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1ccc(F)cc1 5753792 XCXOOJFCABFMJS-UHFFFAOYSA-N 361.775 4.125 0 40 FIAB Cc1nnc(SCc2nc(-c3cccs3)no2)n1-c1ccc(F)cc1 6804374 BACHMIZAWWQBPO-UHFFFAOYSA-N 373.438 4.119 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1 6925960 DKMBGHPPHIUZKG-UHFFFAOYSA-N 365.842 4.216 0 40 FIAB CC(C)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1 7055502 DVHFNDSAKUJDHE-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB Cc1ccc([C@@]2(C)NC(=O)N(CCSc3ccc(Cl)cc3)C2=O)cc1 7088407 BLKRUCSQBWSSQQ-LJQANCHMSA-N 374.893 4.208 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2cc3ccccc3o2)n1C 7236692 DKJCISOTLUPZOI-UHFFFAOYSA-N 353.403 4.105 0 40 FIAB O=C(Nc1ccc(F)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 7318732 XXDBHAJKCDNZSP-UHFFFAOYSA-N 361.376 4.305 0 40 FIAB COc1cccc2c(=O)c(SC(F)(F)[C@@H](F)C(F)(F)F)c(C)[nH]c12 8578799 PXMSFOUIQHPKKM-LBPRGKRZSA-N 371.302 4.430 0 40 FIAB CC(=O)c1ccc(NC(=O)CCCc2nc(-c3cccc(C)c3)no2)cc1 8587015 ZJJHCYWTZLMEKZ-UHFFFAOYSA-N 363.417 4.209 0 40 FIAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3cc(C)on3)sc2n1 8745004 GKOIKWOWQQUUPD-UHFFFAOYSA-N 352.419 4.253 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 9063170 QRKWYHSOQJADHB-UHFFFAOYSA-N 366.549 4.292 0 40 FIAB COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccs3)C[C@H]21 10216090 GRYAVIDOWGSROK-OXQOHEQNSA-N 363.442 4.394 0 40 FIAB Oc1cccc(-c2nnc3sc(/C=C/c4cccc(Cl)c4)nn23)c1 10311716 UZJTVVMRPHVNJB-BQYQJAHWSA-N 354.822 4.382 0 40 FIAB Fc1ccc(-c2cnc(-c3ccncc3)c(CNC[C@@H]3CCCO3)c2)cc1 12337328 BDDZVFCGOFFZSL-NRFANRHFSA-N 363.436 4.218 0 40 FIAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)N1CCc2ccccc2C1 12422169 QBIAZLLOFVGAQL-UHFFFAOYSA-N 352.821 4.122 0 40 FIAB CCCCc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 12899304 VHXOLBBRHCDNNV-UHFFFAOYSA-N 366.486 4.172 0 40 FIAB C[C@H]1C[C@H](C)CN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 12913134 VUBJFOMPFVZZMW-OALUTQOASA-N 350.506 4.260 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 12974117 YRAJQERRLZAWFA-UHFFFAOYSA-N 365.260 4.287 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 13170179 UOGGISBBQOIRGS-SNVBAGLBSA-N 368.216 4.406 0 40 FIAB O=C1C[C@@H](c2cc(F)ccc2F)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 13569458 KYTCMLAZRNPMHL-ZDUSSCGKSA-N 359.763 4.482 0 40 FIAB Cc1nc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1Br 14257973 FCQROGCGKYZALC-UHFFFAOYSA-N 363.255 4.440 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(C(=O)NCc2ccco2)c1 14837171 OIBZICPIXNXGQR-UHFFFAOYSA-N 368.820 4.044 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)c2ccccc2)c1C 19557890 YGYDLENRPIJYHE-KRWDZBQOSA-N 350.422 4.049 0 40 FIAB CCc1nccn1[C@@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccccc3)nc2c1 19718527 ZNDHUDONAVFREU-HNNXBMFYSA-N 373.460 4.112 0 40 FIAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(C(=O)O)c1 20144900 BNHKTLPWVLYREA-UHFFFAOYSA-N 353.418 4.450 0 40 FIAB CCOc1ccc(CCC(=O)NCCCc2ccccc2)cc1OCC 20462522 MTFTZGJEIQDDBA-UHFFFAOYSA-N 355.478 4.166 0 40 FIAB Cc1cccc(Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c1 20834423 VDLADTNERVTWDH-UHFFFAOYSA-N 368.506 4.192 0 40 FIAB CN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 21002372 GANMDYBLKRMYDR-QFIPXVFZSA-N 372.468 4.206 0 40 FIAB CC(C)[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c1ccc(C(C)(C)C)cc1 22847361 HGGUDNLLHZGFJU-LJQANCHMSA-N 360.542 4.350 0 40 FIAB Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)cc1 28403163 WUFNJTKIYVFIRU-LJQANCHMSA-N 372.534 4.025 0 40 FIAB CC(=O)Nc1nc(CSc2nnc(-c3ccc(Cl)cc3)o2)cs1 29871039 ZTIWXMYCUOUEEC-UHFFFAOYSA-N 366.855 4.097 0 40 FIAB C[C@H]1c2cccn2CCN1C(=O)CCc1ccc(-c2ccccc2F)o1 30262805 LBAKVQIPMFBBHO-HNNXBMFYSA-N 352.409 4.423 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1 32491340 LLDHGODLCKFZHD-UHFFFAOYSA-N 371.742 4.327 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1 32669927 KXHBZVIBPNZIGK-USXIJHARSA-N 363.523 4.022 0 40 FIAB CC(C)c1c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cnn1-c1ccccn1 32914106 RZEYZGTUXRHOFH-CYBMUJFWSA-N 370.403 4.160 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Cl)c2)cc1 35289373 LDMIWHJRECFUBR-QGZVFWFLSA-N 357.841 4.283 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3c(C)noc3n2)cc1 36613729 GAIJZAHFYCATTP-UHFFFAOYSA-N 365.433 4.079 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)N(CC)CC)cc1 40103717 CFNSBLSVVYCFOT-UHFFFAOYSA-N 371.456 4.362 0 40 FIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(F)cc1F 40108493 ADDCTLLPSNPRGY-SNVBAGLBSA-N 354.194 4.088 0 40 FIAB Cc1ccsc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 40159994 JPAZWTJHTGQHHG-CYBMUJFWSA-N 358.488 4.492 0 40 FIAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1cc(F)cc(F)c1 40286498 NYLOIPJCLIYBHN-OAHLLOKOSA-N 355.344 4.283 0 40 FIAB CC[C@@H](CO)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 41096204 TZMABZRNURYTPV-INIZCTEOSA-N 355.544 4.106 0 40 FIAB CN(C)[C@H](CNC(=O)CCc1ccc(Cl)cc1Cl)c1ccsc1 43750034 KWTAZIQORZRDGO-MRXNPFEDSA-N 371.333 4.407 0 40 FIAB COCc1c(C(=O)Nc2cccc(-n3nccc3C)c2)oc2ccccc12 58016625 BTIKDMUPIWVVGY-UHFFFAOYSA-N 361.401 4.326 0 40 FIAB CCCOc1ccc([C@H](C)Nc2ncnc3[nH]cnc23)cc1OCCC 58759738 WAFVWWXMHHRHJR-ZDUSSCGKSA-N 355.442 4.104 0 40 FIAB CSc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72216919 LXTFLEFCYKQGNO-QGZVFWFLSA-N 362.520 4.028 0 40 FIAB C[C@H]1CCCCN1c1cc(NC(=O)COc2ccccc2)c(Cl)cc1N 72229599 LIRNOWNVQATXIJ-AWEZNQCLSA-N 373.884 4.319 0 40 FIAB OC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2cccnc2)SC1 79487729 ADEPGXAMGLOWOF-MRXNPFEDSA-N 358.467 4.303 0 40 FIAB Cc1nccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)n1 84290677 QMIBHZKIBJGJQR-UHFFFAOYSA-N 374.469 4.284 0 40 FIAB Cn1cc(CC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c2ccccc21 84314309 YWQIYIMPPXDNLX-LJQANCHMSA-N 350.437 4.094 0 40 FIAB Cn1cnc2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)ccc21 89761866 QEVJWRCAWMFIIM-UHFFFAOYSA-N 369.639 4.290 0 40 FIAB CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCCN(CC)C1 95389806 BZZVFZSAXLVLJD-INIZCTEOSA-N 372.534 4.276 0 40 FIAB Cc1nc(C(=O)N[C@H]2CCOC(C)(C)C2)c(-c2ccccc2Cl)s1 95476267 NVSHSLMYPQCXGB-LBPRGKRZSA-N 364.898 4.459 0 40 FIAB Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)o2)cc1C 216026690 AJUKDNSTMZBVJL-UHFFFAOYSA-N 354.431 4.240 0 40 FIAB COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1N 216919681 KGWZUYCOGUJCDR-UHFFFAOYSA-N 352.619 4.237 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2)cc1 218962102 KWLBYECEJXAMDK-UHFFFAOYSA-N 355.478 4.337 0 40 FIAB CC(C)C(NC(=O)CCCN1C(=O)c2cccc3cccc1c23)C(C)C 219456532 QJNRANVUQYEKPX-UHFFFAOYSA-N 352.478 4.377 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc2ccccc2o1 219948949 MFYLFNGFHFXXGR-MRXNPFEDSA-N 351.402 4.474 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 222802059 KLELTYPRVFGDKR-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1 223840219 HPWBLTRAMGLKRK-UHFFFAOYSA-N 367.854 4.051 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 224605102 CBXSHTVFUXEBDB-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NCC(C)C 224844225 LCDFWHKDDDBPOO-MRXNPFEDSA-N 373.324 4.283 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOCc1ccccc1 225144471 PLVUVTSDACQYOV-QFIPXVFZSA-N 367.489 4.056 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)n1 225290502 NUIDLYBWUGFRJO-QGZVFWFLSA-N 361.489 4.299 0 40 FIAB CCOc1ccc(NC(=S)NCCCc2ccccc2OCC)cc1 225395457 UGQYOTBAWRDWCW-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB Cc1oc(-c2ccccc2)nc1CN1CCN(Cc2cccs2)CC1 225499475 QKGSTCTVGZJELW-UHFFFAOYSA-N 353.491 4.029 0 40 FIAB CO[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccc(Cl)s1 225701935 WXBXWALZZQEAFF-LLVKDONJSA-N 352.868 4.129 0 40 FIAB O=C(Nc1cccc(Br)c1)c1snnc1-c1ccccc1 225759290 FJKWSWRTAUSJGX-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB COc1ccc(SCCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225803303 RRPDOLTYPORRAR-UHFFFAOYSA-N 368.474 4.442 0 40 FIAB O=C(O)/C=C/c1cccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c1 226322866 ATLJWJPOAATGLJ-NTEUORMPSA-N 373.408 4.469 0 40 FIAB C/C(=C\c1ccccc1)c1nn2c(-c3c(C)nc4ccccn34)nnc2s1 227143715 DGHVTJQCQXBSEB-OUKQBFOZSA-N 372.457 4.369 0 40 FIAB O=C(NC1CC1)C1(Cc2ccc(-c3ccc(F)c(F)c3)cc2)CCOCC1 257260231 LBWYPVFZLQQHFY-UHFFFAOYSA-N 371.427 4.250 0 40 FIAB O=C(Nc1nc(O)c2ccccc2n1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 521332901 SLYHYSVDXFLCCA-ZWKOTPCHSA-N 355.397 4.231 0 40 FIAB CCc1nc(C)c(CNC(=O)NC2(c3ccc(F)cc3F)CCCC2)o1 572071628 RYWLHYIUIZDZCM-UHFFFAOYSA-N 363.408 4.092 0 40 FIAB COc1ccccc1[C@H]1C=Cc2c(cc(C)n(Cc3ccccc3)c2=O)O1 585261342 UVIRXWMITFGIMJ-OAQYLSRUSA-N 359.425 4.361 0 40 FIAB CCCOc1ccc(NC(=O)c2cncc(-c3cnn(C)c3)c2)cc1Cl 595231699 YHQCCTMEPZZVCH-UHFFFAOYSA-N 370.840 4.177 0 40 FIAB Cc1ncc(NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c(C2CC2)n1 626552205 LGPRKEHOHHWVTK-HNNXBMFYSA-N 372.419 4.352 0 40 FIAB Brc1ccccc1-n1cc(NCc2ncc(C3CC3)o2)cn1 1261374446 JYPVUWGEYFUFPY-UHFFFAOYSA-N 359.227 4.112 0 40 FIAB O=C(N[C@H](c1ccccc1)C1CCCCC1)c1nnc2ccccc2c1O 1540818615 YPQRMXFJHONMQF-LJQANCHMSA-N 361.445 4.387 0 40 FIAB O=C(NCc1cccs1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775966907 OAXPFYHQWNENKZ-CYBMUJFWSA-N 364.517 4.071 0 40 FIAB CCOP(=O)(CC(=O)Nc1nc(-c2cccs2)cs1)OCC 1776003984 HYFKYBGTFUUYDY-UHFFFAOYSA-N 360.397 4.076 0 40 FIAB Cc1ccc(CN2CCCC[C@H]2C2CCN(C(=O)OCCF)CC2)cc1 2056226675 XRXCGFDSDLZZSQ-FQEVSTJZSA-N 362.489 4.168 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3cc2C)cc1 902889 ZIEOVDDBAUFSMK-UHFFFAOYSA-N 365.458 4.232 0 40 FIAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OCC)cc2)cc1 2052359 IKPRGZXHJFERRL-UHFFFAOYSA-N 372.490 4.391 0 40 FIAB Clc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1Cl 2426147 FVNAYVJZNFULGJ-UHFFFAOYSA-N 371.187 4.030 0 40 FIAB Cc1nnc(SCC(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1 2642653 YJELVXURLAQOBL-UHFFFAOYSA-N 362.458 4.091 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1OCC 3606737 VUJAOJJIZXTZSL-UHFFFAOYSA-N 359.422 4.144 0 40 FIAB Cc1ccc2nc(-c3cc4cc(Br)ccc4oc3=O)[nH]c2c1 4067467 QHDBHOYMLOEZDX-UHFFFAOYSA-N 355.191 4.407 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(oc(C(=O)OC(C)C)c3C)C2)cc1OC 4084237 XRWABBIJVLQRJA-CQSZACIVSA-N 372.417 4.083 0 40 FIAB biogenic Cc1cc(C)nc(Sc2nc(Cl)nc(Nc3ccccc3C)n2)n1 4600546 FQWAITFGTWGTEO-UHFFFAOYSA-N 358.858 4.135 0 40 FIAB CCOc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4ccccc4c32)ccc1O 4930141 LFFMQZLQYKIVRX-FQEVSTJZSA-N 373.408 4.312 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 5391819 GJKJSEXQAFHEMX-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 5512635 CKXIKNYLYFQCOX-UHFFFAOYSA-N 350.418 4.476 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)NCc3nc4ccccc4[nH]3)ccc2c1 6664286 SRBDDWXROGBYPO-AWEZNQCLSA-N 359.429 4.145 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 6931415 ODJYRDOOKVQRQU-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB C[C@@H]1C[C@@H](C)CN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)C1 7285442 JQYURUGRJHBQPG-ZIAGYGMSSA-N 353.491 4.130 0 40 FIAB CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3Cl)[nH]2)c1 7605115 PRRMLZOTLHWSRT-UHFFFAOYSA-N 358.854 4.376 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(C)ccc2C)c(C)c1 7608125 BBZIVBFMTMAHSF-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NC3CC3)o2)cc1 8844597 VGLPZZFKICNMQZ-UHFFFAOYSA-N 372.421 4.196 0 40 FIAB Cc1ccc(NC(=O)Cc2noc(-c3cccc(C(F)(F)F)c3)n2)cc1 8986151 BJHMBFXVBUZPIU-UHFFFAOYSA-N 361.323 4.245 0 40 FIAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@H]2CCSc3ccccc32)cc1 9366635 ZYSSQQWBZJHKIE-KSSFIOAISA-N 355.459 4.010 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)C[C@@H]3C=CCC3)n2)c(F)c1 9456125 LDQCJMRSYVNVGC-GFCCVEGCSA-N 359.426 4.202 0 40 FIAB COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 10512351 ISWZTTCJPMZJQR-UHFFFAOYSA-N 373.455 4.003 0 40 FIAB CCC(CC)(CC(=O)Nc1ccc2nc(SC)sc2c1)C(=O)O 11256528 VTVCQBJYOGIZRP-UHFFFAOYSA-N 352.481 4.238 0 40 FIAB CCc1nc2ccc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)cc2[nH]1 12116925 ZXDYIWPALKEBOL-UHFFFAOYSA-N 361.401 4.101 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2cccnc2C)cc1 12366614 NANNOSCGQZJIFP-TUFLPTIASA-N 350.462 4.101 0 40 FIAB O=C(CCc1ccco1)Nc1c(-c2ccc(F)cc2)nc2sccn12 12525707 QNFRSSVVHOIENC-UHFFFAOYSA-N 355.394 4.366 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)cc1 12804920 UVPAMSNUKLVHIL-OAHLLOKOSA-N 354.450 4.386 0 40 FIAB CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C)CC2)c1=S 13071529 RMLBKIBDIBLXFS-UHFFFAOYSA-N 350.919 4.444 0 40 FIAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)n1 13228239 BQZDCQDOTLDXED-HXUWFJFHSA-N 368.392 4.246 0 40 FIAB Cc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)sc2=S)cc1C 13547253 JPRMZTBQBOULDP-UHFFFAOYSA-N 369.515 4.397 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C(C)C 13995603 BUJYBWHMAQLSFK-UHFFFAOYSA-N 372.416 4.171 0 40 FIAB Cc1cccc(NC(=O)CNC(=O)c2ccccc2Oc2ccccc2)c1C 14110957 LDTAUNFTXRNVOE-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB Cc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c(Br)c1 14128895 PRSQRRQCGYYWQA-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB COc1cccc(-c2nnc(SCCOc3ccc(C)cc3OC)o2)c1 15669905 QUJFHMWYDVRSML-UHFFFAOYSA-N 372.446 4.233 0 40 FIAB Cc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3s2)n1 16851015 OMSSRWHMWGQLKV-UHFFFAOYSA-N 352.394 4.182 0 40 FIAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Cl)cc3)oc2c1 18142307 GVQGZDFJVFUQDT-ATJXCDBQSA-N 369.852 4.264 0 40 FIAB CC(C)Oc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 20133227 BQQUBNVPYQDZGR-UHFFFAOYSA-N 357.273 4.196 0 40 FIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1Br 20137826 NNIHDHCTIBPYKX-UHFFFAOYSA-N 372.218 4.454 0 40 FIAB CCCCSc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)s1 22490394 KTFCRBJCGXXKPO-VXGBXAGGSA-N 359.586 4.217 0 40 FIAB Cc1c(C(=O)Nc2ccc(-n3cncn3)nc2)oc2c1ccc1ccccc12 23056338 CPQHDFUSRRPOQO-UHFFFAOYSA-N 369.384 4.122 0 40 FIAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1ccc(Cl)s1 23732733 SAEUQKCKPVQNJI-UHFFFAOYSA-N 368.289 4.314 0 40 FIAB O=S(=O)(c1ccc(NCc2cccc(F)c2)cc1)N1CCCCCC1 24584765 JEWLRQOLVLETJV-UHFFFAOYSA-N 362.470 4.003 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1nc2ccccc2[nH]1 29330840 TWQQOYMNIQPOCW-UHFFFAOYSA-N 368.487 4.329 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1OCC 30852558 VLEKKTSNVLXPJM-IRXDYDNUSA-N 371.477 4.437 0 40 FIAB CC(C)(C)SCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39750558 ASGHTNIWFSAYEO-UHFFFAOYSA-N 368.974 4.200 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 39960021 VUHJZBBCZGVNDZ-KJQYFISQSA-N 362.897 4.181 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 40107080 VAFNRFREGUOXBR-UHFFFAOYSA-N 365.364 4.224 0 40 FIAB O=C(Cc1cccs1)NCCc1ccc(OCc2ccccc2)cc1 40122131 KUSGMAOQEHVLRP-UHFFFAOYSA-N 351.471 4.229 0 40 FIAB COC(=O)c1c(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)sc(C)c1C 40140505 GTENEBYLYCHYGI-WDEREUQCSA-N 363.401 4.459 0 40 FIAB Cc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4ccccc4)n3)n2)s1 40158560 SESAXQGYLZWIPD-UHFFFAOYSA-N 367.459 4.217 0 40 FIAB CCCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1Cl 41095174 DCFIDCCLUWRTFA-ZDUSSCGKSA-N 353.871 4.168 0 40 FIAB Cc1nc(C)c(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)s1 42650375 ZUWVGVYYUWPJQE-UHFFFAOYSA-N 371.447 4.152 0 40 FIAB C[C@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 45123472 MGZYGPLMXGMLSS-HUUCEWRRSA-N 369.465 4.010 0 40 FIAB CN(Cc1ccsc1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 45125177 BMXUSRLJRWOXBR-UHFFFAOYSA-N 372.412 4.169 0 40 FIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1nncs1 45829288 WMZXMKFLFGICJU-UHFFFAOYSA-N 366.421 4.397 0 40 FIAB CC(C)CN1CCC(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 46049596 SEXWRVOTXGXOQV-AWEZNQCLSA-N 354.947 4.057 0 40 FIAB CCOC(=O)c1c(NCCc2ccccc2)c2cccc(Cl)c2[nH]c1=O 49001491 KRHBXMREDWMFKV-UHFFFAOYSA-N 370.836 4.013 0 40 FIAB Cc1ccc(F)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364554 VRTMBDYRNDWQSX-KRWDZBQOSA-N 362.404 4.293 0 40 FIAB CCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)c(C)oc3c2C1 54313716 CZFOJFUFLUNKPE-UHFFFAOYSA-N 353.393 4.469 0 40 FIAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1cnn(C(C)(C)C)c1 54681973 CZISJZUCGWLEDM-LJQANCHMSA-N 364.449 4.022 0 40 FIAB COc1ccccc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1 57318513 KISGJDFCIYDJND-HXUWFJFHSA-N 370.449 4.214 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)c1C 57810337 GCIWPUSFKQFHNX-LLVKDONJSA-N 352.887 4.252 0 40 FIAB CCN(CC1CCN(C(=O)c2ccccc2C)CC1)C(=O)OC(C)(C)C 72305504 RJZLHQLIONVVQQ-UHFFFAOYSA-N 360.498 4.104 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(C)c(C)c1 78579484 UWEZLCQDYXZSOO-UHFFFAOYSA-N 355.463 4.006 0 40 FIAB CC1=Nc2c(cnn2-c2ccccc2Cl)[C@@H](c2ccc[nH]c2=O)S1 79483121 DZGAZVGGUHQSMA-OAHLLOKOSA-N 356.838 4.100 0 40 FIAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCCN1C(=O)CC1CCCCC1 84335505 ARDRZVYGDGAWKC-GOSISDBHSA-N 364.436 4.255 0 40 FIAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccc(N2CCCC2=O)cc1 84553468 NZMUQNNBWUJSKZ-UHFFFAOYSA-N 372.428 4.204 0 40 FIAB COc1cccc(C2(C(=O)Nc3cccc(-c4nnco4)c3)CCCC2)c1 95953723 JTPVPLRFGIEADF-UHFFFAOYSA-N 363.417 4.196 0 40 FIAB CC(C)c1ccc(-c2nc(C(=O)OCCc3cnn(C)c3)cs2)cc1 95959794 CWIFRHPYRXYXTK-UHFFFAOYSA-N 355.463 4.067 0 40 FIAB CO[C@@H](c1ccccc1F)[C@H](C)NCc1cn(-c2ccccc2)nc1C 95989236 MNEPFHQATVXXPN-HRAATJIYSA-N 353.441 4.186 0 40 FIAB CC(C)OC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 103282599 CRWGNBZGOGKMLL-FPOVZHCZSA-N 351.446 4.118 0 40 FIAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC 214229005 YCAGKCLEMLVUSW-MHWRWJLKSA-N 373.405 4.079 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)c1ccccc1 219036392 SLSXDAVLEJVVHR-GOSISDBHSA-N 362.473 4.250 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C 219067685 AOUADGZBLBHBPW-SFHVURJKSA-N 355.478 4.218 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(C)c1 223005129 RGAGTFWLMNLKDV-MRXNPFEDSA-N 373.518 4.230 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SC(C)C)s1 224853353 HRNFXNTUFWKZEC-ZDUSSCGKSA-N 351.497 4.143 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225176749 IKZMEZQIQKRCSW-KRWDZBQOSA-N 370.474 4.440 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 225268788 QSBFILBTJWOVFM-ZDUSSCGKSA-N 355.488 4.466 0 40 FIAB CCOc1ccc([C@H](C)NC(=S)Nc2ncccc2C)cc1OCC 225752242 GODYJPXFBKIEOH-AWEZNQCLSA-N 359.495 4.235 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cs1 226097320 KQDXBEQEIAIWGQ-UHFFFAOYSA-N 353.447 4.421 0 40 FIAB Cc1cc(C)cc(C2(CNC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)CCOCC2)c1 247860884 GCTUTPYSXRQPAG-HMXCVIKNSA-N 365.517 4.070 0 40 FIAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCCN3Cc3cccnc3)cn2)n1 257238377 HKSJNYVZKIKQEU-FQEVSTJZSA-N 374.492 4.354 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc(-c3cccc(C(=O)O)c3)ccn2)C1 257242480 ICTFEQOOGHLRIR-GOSISDBHSA-N 366.461 4.199 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1C 408638765 DJXMUMBVTSEEGE-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 409412879 XOEIHHKRZIVWCQ-RTTUQUNYSA-N 351.494 4.150 0 40 FIAB CCO[C@@H]1C[C@@H](O)C12CCN(CCCc1cccc3ccccc13)CC2 524990198 HCDJGANVXMLJJR-FGZHOGPDSA-N 353.506 4.024 0 40 FIAB CN(C(=O)c1ccc(SC2CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 544010374 MBMDTQCGCMMCAR-LJQANCHMSA-N 366.530 4.288 0 40 FIAB C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)NCCCCn1ccnc1 562292605 GUQVOYNVJPFQCW-HNNXBMFYSA-N 371.868 4.054 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](Oc2ccncc2)C1 575613410 QMCQIRXXFJPRDC-AWEZNQCLSA-N 365.355 4.176 0 40 FIAB COc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC2(CC2)C3)c(Br)c1 626354883 GHLWSVDVJVZUJU-RYUDHWBXSA-N 365.271 4.397 0 40 FIAB O=C(NC[C@H](c1ccsc1)c1ccco1)C1(c2ccc(F)cc2)CC1 670910386 HJIOOKTWUUTTBP-QGZVFWFLSA-N 355.434 4.460 0 40 FIAB COc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1F 1775978391 RDZJIVOOZPWWDE-QGZVFWFLSA-N 371.433 4.026 0 40 FIAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)c2c(F)cccc2F)CC1 1380413 JXBVNXITYOIIBI-UHFFFAOYSA-N 373.378 4.239 0 40 FIAB COc1ccc([C@@H]2CN(C(=O)c3ccccc3)N=C(c3ccccc3)O2)cc1 1584722 RHXNRQRNNFGWSU-NRFANRHFSA-N 372.424 4.271 0 40 FIAB CCOc1ccc(N[C@H]2SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 2348080 UDRHBRSVYUOPFO-KRWDZBQOSA-N 356.447 4.027 0 40 FIAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 3272341 DCTOCBCFNLBYKK-OAQYLSRUSA-N 360.365 4.196 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC=C4CCC5(C[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 4387191 NRLCHDRKDMRMBP-SABDPVTBSA-N 374.521 4.012 0 40 FIAB COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC 4588258 KSDNDVAZEXKIMZ-ATVHPVEESA-N 365.429 4.346 0 40 FIAB S=c1n(CN2CCCC2)nc(COc2ccccc2)n1-c1ccccc1 4702263 SIVDAXHPBGJWRI-UHFFFAOYSA-N 366.490 4.036 0 40 FIAB CCC[C@@H]1O[C@@H](c2cc3c(cc2Br)OCO3)OC[C@H]1CC 4769136 NHIDCHKHWNMAEV-HICWGWBUSA-N 357.244 4.418 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 4943201 UGBGZGPKDYKACK-UHFFFAOYSA-N 362.260 4.370 0 40 FIAB O=C(Cn1cnc2ccccc21)NCCC(c1ccccc1)c1ccccc1 5199024 SHTXKXBKZKXSGU-UHFFFAOYSA-N 369.468 4.375 0 40 FIAB COCCn1cc(NC(=O)Nc2ccc(C(C)=O)cc2)c2ccccc21 5266504 XLFMOWRBXJZLHK-UHFFFAOYSA-N 351.406 4.134 0 40 FIAB CC[C@@H]1C[C@@H](CC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)C1(C)C 5674041 CMPJRJVSDRSSSF-BELXIORKSA-N 362.583 4.408 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 6323150 IJFYOSQDWYZKPM-UHFFFAOYSA-N 356.491 4.256 0 40 FIAB CCCCOc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)c1 6323571 ZMYGDQHZGRLOPD-UHFFFAOYSA-N 367.405 4.217 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)c1C 6372434 AKPDCNYZMWGFGS-GOSISDBHSA-N 350.462 4.418 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 6811361 MMIGBWQGURMZLF-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 6880005 KKNNJKHHETXSJJ-OAHLLOKOSA-N 356.491 4.087 0 40 FIAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)c1 7616013 ISCGMLDRBWLGMW-UHFFFAOYSA-N 369.424 4.011 0 40 FIAB Cc1c(CSc2nnc(C(F)(F)F)n2C)noc1-c1ccc(F)cc1 7766437 YLXWNJMQTNYOPZ-UHFFFAOYSA-N 372.347 4.229 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1 8041611 CWGAOMCTSQJEMQ-AWEZNQCLSA-N 352.203 4.384 0 40 FIAB CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccccc1F 8254166 NWYHSXHATRCQCN-UHFFFAOYSA-N 367.848 4.193 0 40 FIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1Cc2ccccc2O1 8280715 KEJBLUVXZJYTGR-GOSISDBHSA-N 361.426 4.005 0 40 FIAB CC[C@@]1(c2ccc(Cl)cc2Cl)NC(=S)N(c2ccccc2)N1 9189204 FDHUJJZYODDTMI-MRXNPFEDSA-N 352.290 4.456 0 40 FIAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)C2CCCCC2)C1 12221079 VFPZATDITUEIJN-LJQANCHMSA-N 364.493 4.249 0 40 FIAB Cc1cc(C)c(NC(=O)CNc2ccccc2N2CCCC2=O)c(Cl)c1 12515240 ZOOYRCZTGKAPJG-UHFFFAOYSA-N 371.868 4.134 0 40 FIAB CCC[C@@H](O)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 12627841 DCKMIFKPOMDPAL-HXUWFJFHSA-N 365.477 4.311 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)cc1Cl 12738870 UKNHDDXTACPCHH-QGZVFWFLSA-N 360.866 4.262 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cccn4)nc3)n2)s1 12746632 KFRDVJXGBAEYHP-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB Cc1ccc(F)c(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 12756787 HUGGQQSRTJBAAQ-UHFFFAOYSA-N 353.393 4.429 0 40 FIAB Cc1ccccc1OCCN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 12762379 WPUBNNWWBJUWDP-UHFFFAOYSA-N 351.446 4.229 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CNC(=O)Cc1ccc2ccccc2c1 12906781 WNLWRKPAZOWAIW-UHFFFAOYSA-N 366.848 4.099 0 40 FIAB CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O 12975001 VMVIZBGZTKYSFR-WBVHZDCISA-N 368.477 4.113 0 40 FIAB C[C@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)C1 12998304 PJTOASLIZXDZEC-ZETCQYMHSA-N 367.106 4.145 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1 13369948 CLNSUXSMXQKBGE-CQSZACIVSA-N 363.392 4.281 0 40 FIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3C)[C@H]3CCCC[C@H]32)cc1OC 19239547 QXFAHLQQSDYZIG-FUKQBSRTSA-N 366.505 4.469 0 40 FIAB Cc1ccc2c(CN(Cc3ccccn3)C[C@H]3CCCO3)c(C)n(C)c2c1 19717613 ZKOSHYWYYQUCLB-HXUWFJFHSA-N 363.505 4.371 0 40 FIAB CC(C)Oc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 20107639 QDOQGJOVSYLLNH-UHFFFAOYSA-N 355.478 4.467 0 40 FIAB COc1cc(NC(=O)CSc2ccccc2)ccc1-c1ccc(CO)o1 20151181 FVZUJUUJIXBQAC-UHFFFAOYSA-N 369.442 4.178 0 40 FIAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1ccc(C(C)C)cc1)(C3)C2 21284029 QREIMDTUGVYJOT-MGAZVUHYSA-N 369.505 4.328 0 40 FIAB CCN1CCC[C@@H]1CNCc1cn(-c2ccccc2)nc1-c1cccs1 22787347 GJYRYMYEXGTHPJ-LJQANCHMSA-N 366.534 4.175 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc3c2CCCC3)CC1 22839753 BYWWVCIQXHNVFV-UHFFFAOYSA-N 358.482 4.151 0 40 FIAB C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1cccc2ccccc12 22974554 VIHUVVUEIZBBND-INIZCTEOSA-N 374.440 4.405 0 40 FIAB CCCCNc1cc(C)nc2c(C)c(-c3ccc(OC)c(OC)c3)nn12 23118869 ATWFEOKEMBMASX-UHFFFAOYSA-N 354.454 4.242 0 40 FIAB Cc1nc(C2(NC(=O)c3cc(F)c(Cl)cc3Cl)CCCCC2)no1 23508264 NQGGECUUJSBBSD-UHFFFAOYSA-N 372.227 4.413 0 40 FIAB COc1cc(/C=C/C(=O)NCCCO[C@H](C)c2ccccc2)cc(OC)c1 25672728 DKBHXQSLDYPYTJ-SXSDINLZSA-N 369.461 4.001 0 40 FIAB COc1ccccc1-c1nc(CNc2ccc(Cl)c(C(N)=O)c2)cs1 26786197 ZPBCHFYITKJION-UHFFFAOYSA-N 373.865 4.183 0 40 FIAB COC[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 27473116 LRNCNKMZXNNIIC-MRXNPFEDSA-N 364.445 4.092 0 40 FIAB Cc1ccccc1NC(=O)CSCC(=O)Nc1cccc(Cl)c1C 28183395 SVZHHFVKSSBWRT-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Nc3cccc4c3CCCC4)ccc21 28664727 OQTPJHOAOCVHQW-OAHLLOKOSA-N 362.473 4.158 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 30756488 CMEKZMQWLZGGFR-QGZVFWFLSA-N 352.478 4.172 0 40 FIAB CN(Cc1ccc(F)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 33025926 QYRCSMQRORKROC-UHFFFAOYSA-N 353.437 4.326 0 40 FIAB Cc1nn(C)c(C)c1/C=C/C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 36339316 UFTXMKPYLNEZRK-QROSGCPLSA-N 352.265 4.234 0 40 FIAB OC1=Nc2c(ncn2-c2ccccc2Br)[C@@H](c2cccnc2)C1 36360408 PDBZWRFZUMWYAY-GFCCVEGCSA-N 369.222 4.153 0 40 FIAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccccc2)C1 38833980 UCCAWRSQLHHKCG-INIZCTEOSA-N 373.294 4.300 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(Cc2cccs2)CC1 40097878 DUXFQDQGZFNSAM-UHFFFAOYSA-N 369.412 4.117 0 40 FIAB Cc1nnc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)s1 40129286 WUWGODYODOFUSX-UHFFFAOYSA-N 372.498 4.030 0 40 FIAB O=C(NCCSCc1cccs1)[C@H]1CCCO[C@@H]1c1ccccc1 40156164 VXQCCYXYKLPIIV-ZWKOTPCHSA-N 361.532 4.265 0 40 FIAB O=C(c1ccccc1NC(=O)N1CCC[C@@H]1c1cccs1)N1CCCC1 43797656 UXTQQFICNYKONG-QGZVFWFLSA-N 369.490 4.353 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Sc2ccccc2)n(Cc2ccccc2)n1 44047813 VHQHHRNXSPHWKR-MRXNPFEDSA-N 351.475 4.359 0 40 FIAB CCCOc1ccc([C@@H](C)Nc2cc(Cl)nc(N)n2)cc1OCCC 46587675 JCCQMTVUXBACLN-GFCCVEGCSA-N 364.877 4.463 0 40 FIAB CC(C)c1ccc(-c2noc(CNc3ccc4c(c3)OCCO4)n2)cc1 48366305 JUVKHDHNOQXPDJ-UHFFFAOYSA-N 351.406 4.243 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1cccc(-n2cc(Br)cn2)c1 58018719 CGGAPRFZSCLBOV-UHFFFAOYSA-N 374.213 4.335 0 40 FIAB C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(NS(C)(=O)=O)cc1 69421053 AYLYSIZQGDAGOE-LLVKDONJSA-N 373.305 4.216 0 40 FIAB CC(C)Cc1noc(C2(c3ccc(Br)cc3)CCOCC2)n1 72273541 YGIXMALICCXUFY-UHFFFAOYSA-N 365.271 4.127 0 40 FIAB OCc1ccc(-c2cncc([C@@H]3CCCN(CCc4ccccc4)C3)n2)cc1 72359362 MNTVWYGJVLCLNI-JOCHJYFZSA-N 373.500 4.058 0 40 FIAB CC(C)(C)c1cnc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)s1 81233705 HQBLMPVDIWNVDM-QGZVFWFLSA-N 371.506 4.133 0 40 FIAB Nc1nc(-c2ccc(OCc3ccc(Cl)cc3)c(C(=O)O)c2)cs1 85397518 FAISBHAORWNKIH-UHFFFAOYSA-N 360.822 4.323 0 40 FIAB CC[C@H](C(=O)NCC(O)(c1cccs1)c1cccs1)c1ccccc1 90617021 IGTAVTGBUJOCBW-INIZCTEOSA-N 371.527 4.356 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 95408093 DZTMCLXCPWOPNP-PZJWPPBQSA-N 370.468 4.297 0 40 FIAB CC(C)c1sc(Br)nc1C(=O)Nc1nc2c(s1)CCC2 95473342 RCEAOBICEMHSNN-UHFFFAOYSA-N 372.313 4.227 0 40 FIAB Fc1ccccc1CN1CCC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1 96073567 CTDOCRYLOQQYHN-RBBKRZOGSA-N 355.453 4.166 0 40 FIAB Clc1ccccc1N1CCN(Cc2coc(-c3cccs3)n2)CC1 96775236 PFHSGLLLTLMLSQ-UHFFFAOYSA-N 359.882 4.379 0 40 FIAB CC(C)c1ncc(CNc2cccc(N3CCN(C(C)C)CC3)c2)s1 97032358 YINRDKIUZRSHTD-UHFFFAOYSA-N 358.555 4.409 0 40 FIAB COCCc1nc(C)c([C@H](C)N(C)Cc2cccc(OC(F)F)c2)s1 97102336 AWNHEXZSJFFTTL-ZDUSSCGKSA-N 370.465 4.435 0 40 FIAB COc1ccc(-n2ncc3c2C[C@H]2CC[C@H]3N2Cc2ccccc2F)cc1 100222745 HYGFABWNHCPDCR-DYESRHJHSA-N 363.436 4.282 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2C)cc1 104114461 OYFFPOCBRQYALS-UTKZUKDTSA-N 352.478 4.018 0 40 FIAB COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=O)cc1 105419446 LXHMHVQYNXFWCI-NCYKPQTJSA-N 351.446 4.075 0 40 FIAB Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(CC(C)(C)C)nn1C 108243232 WWJUBLVAJNOEJV-UHFFFAOYSA-N 352.438 4.224 0 40 FIAB O=C1CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)ccc2N1 108690842 WPXSXXQBWHDTLM-UXHICEINSA-N 356.425 4.467 0 40 FIAB Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc(-n3cnnc3)cc2)cc1 133694211 NLRVRNDJCBCYKP-LAUBAEHRSA-N 360.461 4.189 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)c1ccccc1 136014821 RSXXYFIATCWRSR-MHWRWJLKSA-N 357.818 4.259 0 40 FIAB COc1cc(C)c(S(=O)(=O)NCCSC2CCCC2)cc1C(C)C 222819972 CVPGOLNLPXOPQZ-UHFFFAOYSA-N 371.568 4.081 0 40 FIAB CCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 222880047 GGPXQZRIOAXWPP-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1 223256139 VAQSNGJTTSDDJU-MRXNPFEDSA-N 359.473 4.220 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)COc1cccc2c1CCCC2 223830767 VSCVXXWYDNOKMI-UHFFFAOYSA-N 367.489 4.263 0 40 FIAB Fc1ccc(CNC(=S)Nc2ccc(N3CCCCCC3)nc2)cc1 223948329 AKFQXISIFSIJEY-UHFFFAOYSA-N 358.486 4.088 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224136709 JUKGSPZFKYBJRQ-HNNXBMFYSA-N 359.441 4.086 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224696929 FOPFIHCQZKOVIU-QFIPXVFZSA-N 366.505 4.146 0 40 FIAB O=C(CSCc1cccc2ccccc12)NCCOCc1ccccc1 224953963 VAIUILZRWBICNE-UHFFFAOYSA-N 365.498 4.406 0 40 FIAB CCOc1cc2c(cc1CN1[C@H]3CC[C@H]1c1cccnc1C3)O[C@H](C)C2 248341682 WWLQWJFBPPDZEB-LIVBEALHSA-N 350.462 4.066 0 40 FIAB CCCCc1nc(CN(Cc2ccccc2)Cc2ccccc2CO)c[nH]1 257233948 GRMARCVBGFBOQE-UHFFFAOYSA-N 363.505 4.447 0 40 FIAB Cc1cc(O)cc(C2CN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257283896 PAJIVOVHWOTBEQ-UHFFFAOYSA-N 374.440 4.060 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)Nc2ncc(OC)s2)cc1 520382370 BWUCSSNWXFAVDJ-OAHLLOKOSA-N 361.467 4.310 0 40 FIAB Cc1cc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1-n1cncn1 559071639 FORZRHKZQHEVAE-KOUNCHBCSA-N 358.489 4.486 0 40 FIAB O=C(O)c1ccccc1-c1ccccc1C(=O)N1CCC(C(F)F)CC1 630293062 YJHXDPWVAJESRL-UHFFFAOYSA-N 359.372 4.169 0 40 FIAB Cc1ccc(-c2ccc(-c3nc(COC[C@H]4CCOC4)no3)c(F)c2)cc1 647441787 PNCXKNCJPQKKAA-HNNXBMFYSA-N 368.408 4.404 0 40 FIAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1366485 FFMSJFFIHVZUGR-UHFFFAOYSA-N 362.473 4.392 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1 1892715 KJDFXPLOAFSDAT-UHFFFAOYSA-N 362.882 4.213 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1C 20899402 SLVWIGSZAGPNIU-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2csc(-c3cccc(OC)c3OC)n2)c1C 21474215 MWYZDDGDRBYDLJ-UHFFFAOYSA-N 372.446 4.226 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1F 7441019 AZDSSAGGLZJGEE-UHFFFAOYSA-N 367.351 4.427 0 40 FIAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 7882294 NVKQDWFJKDKISB-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB Cc1c(Cl)cccc1-n1ccnc1S[C@@H](C)C(=O)NC(C)(C)C 21621913 BENVVRKZRSJNBH-LBPRGKRZSA-N 351.903 4.229 0 40 FIAB O=C(c1ccc(Cl)cc1F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546378 ZJAHYZOAMCVMQX-LBPRGKRZSA-N 357.816 4.375 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)Nc3nc(C(C)C)cs3)n2)cc1 10639554 IIBMWIKKNGVWFS-UHFFFAOYSA-N 356.451 4.196 0 40 FIAB O=C1COc2cc(NCc3ccccc3C(F)(F)F)c(Cl)cc2N1 46501795 UTORNBKYHCLMMQ-UHFFFAOYSA-N 356.731 4.302 0 40 FIAB COc1ccc2cc(COC(=O)c3ccnc(Cl)c3)c(Cl)nc2c1 22002220 GVCKHNSTYULDRV-UHFFFAOYSA-N 363.200 4.302 0 40 FIAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)NC1CCCCC1 9937452 ITHIQMPIASDCTH-UHFFFAOYSA-N 365.437 4.041 0 40 FIAB CCOC(=O)Cc1ccc(NCCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 55142462 QIFYDLCTYITXDI-UHFFFAOYSA-N 369.505 4.380 0 40 FIAB Cc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)on1 22242514 VWPAVVLSEGTFPG-UHFFFAOYSA-N 368.233 4.038 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1Br 53944012 GWCQJPYBCOUDAP-UHFFFAOYSA-N 357.207 4.123 0 40 FIAB Cc1ccc2c(c1)S[C@H](C(=O)N[C@H](C)c1ccc(-n3ccnc3)cc1)C2 12550356 TXNDKEWOBFZYFT-QRWLVFNGSA-N 363.486 4.075 0 40 FIAB C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 12543714 JAYYSEHOJJNLGI-KFWWJZLASA-N 352.434 4.022 0 40 FIAB COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2ccccc2s1 3215474 SKBAWJMZAHJZPL-UHFFFAOYSA-N 364.430 4.051 0 40 FIAB COc1ccc(Cc2nnc(SCc3ccccc3C)o2)cc1OC 20759895 SSHHVJFDAWNMEH-UHFFFAOYSA-N 356.447 4.278 0 40 FIAB CN(C)c1cc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)ccn1 58402482 JPLNAHGMNYTLAV-JOCHJYFZSA-N 371.440 4.413 0 40 FIAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 2376394 QOVNMUHVDCGDOR-CLOONOSVSA-N 365.385 4.159 0 40 FIAB Cc1ccc(N2CCN(c3nc(C)nc4c3oc3ccccc34)CC2)cc1 2403159 TUIMVPBVPHCKGT-UHFFFAOYSA-N 358.445 4.319 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20137585 FDZWHTPEOVGGPI-UHFFFAOYSA-N 351.402 4.262 0 40 FIAB COc1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1OC(C)C 12799261 PYWRRWRMFKJHFW-UHFFFAOYSA-N 370.474 4.364 0 40 FIAB CNC(=O)c1ccc(CN(C)Cc2nc3ccccc3c(C)c2Cl)cc1 29930290 OXKLZCCENMILEK-UHFFFAOYSA-N 367.880 4.188 0 40 FIAB CC(C)c1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2n1 12886641 ZOITUFTZLDLKOS-UHFFFAOYSA-N 361.445 4.312 0 40 FIAB CC(C)Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033433 QUVVSBLYYGCVGS-OAHLLOKOSA-N 351.425 4.352 0 40 FIAB CCOc1ccccc1N=c1[nH]c(-c2cccs2)c(CC(=O)O)s1 408887916 SCBIZKFXPPMPIK-UHFFFAOYSA-N 360.460 4.063 0 40 FIAB Fc1ccc2c(CCNCc3cc(Cl)c4c(c3)OCCCO4)c[nH]c2c1 65276132 HYQZZYOFKWMTPW-UHFFFAOYSA-N 374.843 4.454 0 40 FIAB Cc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC(=O)N1c1ccccc1 5482805 OCDHBCKPJJKINU-QHCPKHFHSA-N 356.425 4.266 0 40 FIAB COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1 6980267 LGDVGAZEDKAZMZ-UHFFFAOYSA-N 359.476 4.260 0 40 FIAB Cc1cc(CN(C)C(=O)Nc2ccccn2)cc(C)c1OCC(F)(F)F 67539117 YNZPHYUXIPJUCL-UHFFFAOYSA-N 367.371 4.303 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2ccc(OC)c3ncccc23)cc1 15840703 DRENBXQRQRUVSE-CQSZACIVSA-N 350.418 4.212 0 40 FIAB COCc1c(C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)oc2ccccc12 7778041 SFDAJJKLFHZBTI-LLVKDONJSA-N 355.356 4.382 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 7779008 ZHOMFQGRHURTKY-UHFFFAOYSA-N 354.881 4.029 0 40 FIAB CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)C1CCCCC1 9115124 NFBRPEUAVDEPQN-UHFFFAOYSA-N 362.271 4.244 0 40 FIAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2c(C)cccc2C)cc1Cl 9154167 JUKPOEKJCBOTRD-CYBMUJFWSA-N 362.857 4.413 0 40 FIAB CSc1ccc(CN(C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 8188194 VEAFCFXDONUIOT-DENIHFKCSA-N 371.546 4.295 0 40 FIAB Cc1nnc(SCc2nnc(-c3ccc(F)cc3)o2)n1-c1ccccc1 9368308 ANSCICCRLFORRG-UHFFFAOYSA-N 367.409 4.057 0 40 FIAB CC(C)[C@@H](NC(=O)N(C)C[C@H]1COc2ccccc2O1)c1ccc(F)cc1 9871131 ACNFXIFOTXOCNO-FXAWDEMLSA-N 372.440 4.004 0 40 FIAB CCc1noc(-c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)n1 96346746 LERDRXBVUXMRCU-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB O=C(Cc1ccc(Br)cc1)NCCCSc1ccccc1 9592891 CKODRSCZGSVZHR-UHFFFAOYSA-N 364.308 4.290 0 40 FIAB Cc1nc(N2CCC(C)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 9575632 YQCDGAJOHUSQJJ-CSHXORCISA-N 361.489 4.480 0 40 FIAB Fc1ccccc1Cc1nnc2sc(Cc3ccccc3Cl)nn12 19910037 JKWBEWIWOAQDNV-UHFFFAOYSA-N 358.829 4.160 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(C)c1 61035479 XHADZOUZKDCJOD-UHFFFAOYSA-N 358.507 4.341 0 40 FIAB Cc1ccccc1C1(O)CCN(C(=O)C[C@@H](C)c2ccc(F)cc2)CC1 72301396 ONUUPULVIJEFBD-QGZVFWFLSA-N 355.453 4.138 0 40 FIAB CO[C@H](C)c1nc(C)c(C(=O)NCc2ccccc2N2CCCCC2)s1 95465940 YTNVJECLQFIILG-OAHLLOKOSA-N 373.522 4.079 0 40 FIAB COc1ccc2oc(C)c(C(=O)Nc3ccccc3O[C@@H]3CCOC3)c2c1 95965912 HWLOVSAIVQHZOR-OAHLLOKOSA-N 367.401 4.170 0 40 FIAB CSc1ncc(/C=C/C(=O)Nc2nc3c(C)cc(C)cc3s2)cn1 408534151 TVCBMTRBRXLEPC-SNAWJCMRSA-N 356.476 4.077 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)CC1 408707125 HAQKKYWFRLPIJA-VIQWUECVSA-N 370.537 4.459 0 40 FIAB Fc1cccc(-c2nnc(Cc3nc(-c4cccc(Cl)c4)no3)o2)c1 65185380 ZUDDNQCRDLJIPC-UHFFFAOYSA-N 356.744 4.170 0 40 FIAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 72333809 MAQJNQUUKQKKLU-LBPRGKRZSA-N 366.244 4.336 0 40 FIAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccccc2)cc1 33653769 QULIGLBHGSBVSV-UHFFFAOYSA-N 365.429 4.260 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COCC(c1ccccc1)c1ccccc1 40373063 IDMDYWOMAWKGAQ-MZKRTTBSSA-N 367.533 4.459 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCCC[C@H]1CC 44880013 ZOILVCBJEPMWFW-TZIWHRDSSA-N 360.542 4.232 0 40 FIAB COc1ccc(OC)c(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)c1 225116283 MOYMPBRVASTKFB-INIZCTEOSA-N 352.839 4.145 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1C 223500659 GMXUJODCTUGPNF-KRWDZBQOSA-N 361.507 4.277 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1 47081079 JTAHRKXAVLVIFF-OAHLLOKOSA-N 356.491 4.288 0 40 FIAB CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078750 XGKAOTBCKGYENX-CQSZACIVSA-N 370.880 4.461 0 40 FIAB CCC1=Nc2sc(CC)cc2[C@H](SCC(=O)NC2CCCC2)N1 41090634 YSNKZJXXUZJJCE-INIZCTEOSA-N 351.541 4.144 0 40 FIAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Br)cc1 223580553 INLRUGARYNZXLZ-UHFFFAOYSA-N 370.246 4.411 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220934 YCEFVJHQDLKXJD-QVKFZJNVSA-N 353.462 4.219 0 40 FIAB Cc1cc(CN(C(=O)c2ccc3oc(Cl)nc3c2)C(C)C)c(C)n1C 225985338 CVCBIMYDVXTOBE-UHFFFAOYSA-N 359.857 4.487 0 40 FIAB COC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCC1 225628338 IMEYEVFPWCVWIO-UHFFFAOYSA-N 374.525 4.085 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224822058 RPIAGXGKWXVPSK-ROUUACIJSA-N 367.489 4.225 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccccc1C(C)(C)C 223732403 ISOUHRJPISGKRR-LJQANCHMSA-N 355.478 4.337 0 40 FIAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C(C)C)C(C)C)c1 225236201 RNBQTWZWUSIFRF-UYRXBGFRSA-N 368.477 4.156 0 40 FIAB CCCOc1ccccc1CCCNC(=S)Nc1ccc2c(c1)OCO2 225624980 LXWKLPMZJUZRQW-UHFFFAOYSA-N 372.490 4.123 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1C 224096125 BEOHYMDULICQSA-UHFFFAOYSA-N 366.505 4.098 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)o1 96100268 IEMXRDLWGYGIGF-NRFANRHFSA-N 364.489 4.164 0 40 FIAB Cc1nccc(N2CC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 257289517 PYZBGAVNFDHPIM-OAHLLOKOSA-N 354.841 4.011 0 40 FIAB COc1ccccc1[C@H]1C[C@@H](C)CCN1Cc1ccc(-n2ccnc2)nc1 585081800 DWCCCMWARHRTMT-FXAWDEMLSA-N 362.477 4.249 0 40 FIAB C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(CC2CCOCC2)C1 257306368 SUAMYRHYRBTCDJ-QFIPXVFZSA-N 372.484 4.185 0 40 FIAB FC(F)Oc1ccc(CN2CC[C@@]3(C2)CC3(F)F)cc1Br 652063703 SLNAPOOKQRXEKJ-ZDUSSCGKSA-N 368.168 4.282 0 40 FIAB Cn1cc(C(=O)NCC2(Cc3ccccc3)CCCC2)c(-c2cccnc2)n1 679329434 RKKMFNKDXNISSN-UHFFFAOYSA-N 374.488 4.015 0 40 FIAB O=C(Cc1cncc2ccccc12)N1CCC[C@H]1c1ccc(F)cc1F 1299342819 HCXVNXMZOTUWQL-FQEVSTJZSA-N 352.384 4.419 0 40 FIAB O=C(/C=C/c1ccco1)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 585291421 CSGYUKCVBFRXOG-ROJDOSBLSA-N 366.446 4.252 0 40 FIAB COc1cccc(C2(NC(=O)c3cc(C(C)(C)C)nn3C)CCCCC2)c1 12145717 OZFNKGNCOBVSQH-UHFFFAOYSA-N 369.509 4.316 0 40 FIAB Fc1ccccc1COc1ccccc1CNCc1ccc2c(c1)OCO2 16449755 YHPARNSURXAQOD-UHFFFAOYSA-N 365.404 4.423 0 40 FIAB Cc1ccn2cc(-c3cccc(NC(=O)[C@H](C)n4nccc4C)c3)nc2c1 19716708 ZKPXCBMGYROCLE-INIZCTEOSA-N 359.433 4.014 0 40 FIAB O=C(CNc1ccc(F)cc1Cl)Nc1ccc(Br)cc1 7972507 HLDLSVMCFNTCKS-UHFFFAOYSA-N 357.610 4.292 0 40 FIAB Cc1cc(C)c(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)cc1C 5993995 XMQQZQCRKFXZGU-UHFFFAOYSA-N 360.837 4.379 0 40 FIAB Cc1cc(C)cc(N2C(=O)N(CCC(C)C)c3ccccc3S2(=O)=O)c1 1889108872 ZRWGJRMJRAWXJG-UHFFFAOYSA-N 372.490 4.485 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(C)c(F)c3)c2=O)c1 5270078 RZLLKONLXXFWHQ-UHFFFAOYSA-N 364.420 4.213 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 9137690 PCIVJLUSDKNRKR-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCCC1 16850098 KHKIPMOCBWLXMY-UHFFFAOYSA-N 355.385 4.070 0 40 FIAB CCc1nc2sc([C@H](c3ccccc3F)N3CCC[C@H](C)C3)c(O)n2n1 36104716 SNCTYSFMSVVDKV-LRDDRELGSA-N 374.485 4.019 0 40 FIAB Cc1cccc(NC(=O)NCC(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 40152021 NBYVHLDBNCUSHX-NRFANRHFSA-N 365.477 4.164 0 40 FIAB Cc1ccccc1OCC(=O)Nc1nc2c(s1)CCc1ccccc1-2 881518 IDWBHLOCWJHECM-UHFFFAOYSA-N 350.443 4.235 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3)n2C)cc1 898500 CEOYTZPKJXBSKL-HNNXBMFYSA-N 366.490 4.218 0 40 FIAB Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc1 900576 ZHOQRBXDTBEPNL-CABCVRRESA-N 362.424 4.083 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1C 976142 TYQYWZLPDQWGAB-UHFFFAOYSA-N 361.239 4.358 0 40 FIAB Cc1nc2cc(-c3ccc(F)cc3)nn2c(NCCc2ccccn2)c1C 1340796 GXPYSMOZRIYUFP-UHFFFAOYSA-N 361.424 4.202 0 40 FIAB CC(C)(C)c1ccc(-c2noc(-c3ccccc3S(C)(=O)=O)n2)cc1 1400997 YFPWDQSWNCGYGP-UHFFFAOYSA-N 356.447 4.105 0 40 FIAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C)cc1 2393590 OMBCZNUWQHVFBY-CJFMBICVSA-N 361.422 4.472 0 40 FIAB COc1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)c(OC)c1 2465877 GPWATTMJUOYQSN-LBPRGKRZSA-N 358.438 4.095 0 40 FIAB CCCC(=O)NC(=S)c1sc(N2CCCC2)nc1-c1cccs1 2624820 ZYYHQYADLOBLDJ-UHFFFAOYSA-N 365.549 4.064 0 40 FIAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(F)cc1 3292978 JBPIHPAIVDHNND-UHFFFAOYSA-N 359.451 4.264 0 40 FIAB Cc1ccccc1Nc1nnc(SCC(=O)N(C)c2ccccc2)s1 3465536 MGVURSXZBRKBKE-UHFFFAOYSA-N 370.503 4.345 0 40 FIAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1cccc(Cl)c1 3478857 DSPATMKPDQEBRR-SNVBAGLBSA-N 360.822 4.134 0 40 FIAB CC(C)Cc1nc2sc3c(SCC(=O)O)ncnc3c2c2c1CCC2 5321993 NHCPEMQTSLYWFC-UHFFFAOYSA-N 373.503 4.103 0 40 FIAB Cc1ccccc1-c1noc(-c2ccccc2C(=O)NCc2ccco2)n1 5576411 WSBAFSNRBUTHOA-UHFFFAOYSA-N 359.385 4.235 0 40 FIAB Cc1ccc(NC(=O)[C@H](NCc2cn3ccccc3n2)c2ccccc2)cc1 7001915 NYJRGSJYKGRWFI-JOCHJYFZSA-N 370.456 4.112 0 40 FIAB Cc1ccc(-n2nc(C)c(NC(=O)CN3CCCc4ccccc43)c2C)cc1 7115050 VUMZWDKWKAZIPO-UHFFFAOYSA-N 374.488 4.189 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 7182444 BFCLFLLLOLIMEO-IBGZPJMESA-N 354.475 4.101 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 7709963 ZBWYWFWPQHDYMY-UHFFFAOYSA-N 370.405 4.053 0 40 FIAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7929298 IWAMTXKMUJAFDN-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)c1 8325402 YLJJKLKKURTNQY-GOSISDBHSA-N 358.869 4.350 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9134864 ZAYFQXAUQNMBNG-UHFFFAOYSA-N 374.396 4.371 0 40 FIAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Cl 9185115 LTIXEKREKSVSOV-UHFFFAOYSA-N 354.837 4.232 0 40 FIAB CCOc1ccccc1NC(=O)CNc1ccccc1SC(F)F 9220959 RKLIAIUGVQYLND-UHFFFAOYSA-N 352.406 4.451 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 9232179 KVHYQGWMDQCJDC-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2)c1Sc1cn[nH]n1 9668794 AYLUZKYZIQMGIE-UHFFFAOYSA-N 354.822 4.118 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)cc1 10330482 IEKCLZPHNPSECB-QFIPXVFZSA-N 362.473 4.271 0 40 FIAB C[C@@H]1CCN(C(=O)c2cc(O)nc3ccccc23)c2ccccc2S1 11055872 FZTVDQPVQSINFL-CYBMUJFWSA-N 350.443 4.472 0 40 FIAB COc1cccc(OC)c1C(=O)Oc1ccc(/C=C/c2ccncc2)cc1 11858525 VPAZDUSKIAGMKU-VOTSOKGWSA-N 361.397 4.488 0 40 FIAB Brc1ccc(-c2nn3c(-c4cccs4)nnc3s2)cc1 12653885 UCDKYAHRKNCEQA-UHFFFAOYSA-N 363.265 4.344 0 40 FIAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(F)cc1Br 12773003 ZGZBYSHZMIBJRY-CMPLNLGQSA-N 368.168 4.439 0 40 FIAB Cc1cc(C(=O)CSc2nncc(-c3cccs3)n2)c(C)n1C1CC1 14069892 VFLKHWKHKLHMNF-UHFFFAOYSA-N 370.503 4.328 0 40 FIAB CC(C)[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(F)cc1 14712212 PSHFHVKPEKPVLK-GOSISDBHSA-N 354.429 4.278 0 40 FIAB O=S(=O)(NCc1ccc(Cl)c(Cl)c1)c1ccccc1Cl 15043211 DQVZARHIOLPCNM-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB CCOc1ccc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)cc1 15677225 HHGMZWLFBCIXDL-UHFFFAOYSA-N 359.385 4.389 0 40 FIAB O=C(NCCCSc1ccccc1)c1cc(Br)ccc1O 15925056 BHXURLPFVOLSSQ-UHFFFAOYSA-N 366.280 4.067 0 40 FIAB Clc1nc2c(Br)cccc2cc1I 16125075 LUWPZLXEIPSUQD-UHFFFAOYSA-N 368.399 4.255 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnoc2-c2cccc(C(F)(F)F)c2)cc1 16311698 PPJLFNPGYPBAHE-UHFFFAOYSA-N 371.322 4.312 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)cc1Cl 20457993 ZRYBOAKZKZOHOM-CYBMUJFWSA-N 353.871 4.005 0 40 FIAB Cn1cc(/C=C/C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cn1 20675983 SJDQCKHIDSWTSQ-RMKNXTFCSA-N 360.442 4.349 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 21184018 AFJFZSXDDVOQSG-AWEZNQCLSA-N 354.475 4.007 0 40 FIAB COc1ccccc1C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C 21596018 LZCJQGGNSMRTTE-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1N1CCCCC1 23792996 PITAJUAVHGBTGG-UHFFFAOYSA-N 362.477 4.228 0 40 FIAB COc1ccc(Br)cc1Cn1cnc2cc(F)c(F)cc21 24427652 QKVVLWANNOHNFJ-UHFFFAOYSA-N 353.166 4.134 0 40 FIAB O=C(CSc1ccc2ccccc2n1)NC(=O)NCCC1=CCCCC1 24851650 AGCYKYRTDHLFOM-UHFFFAOYSA-N 369.490 4.043 0 40 FIAB O=C(c1cc2c(s1)CCCCCC2)N1CCN(c2ccccc2O)CC1 26524965 FRUWSJSQPSYQIV-UHFFFAOYSA-N 370.518 4.075 0 40 FIAB COc1ccc([C@H](NC(=O)c2cc(=O)c3cc(C)ccc3o2)C(C)C)cc1 26786166 BLIVZNHWKUIAIA-OAQYLSRUSA-N 365.429 4.237 0 40 FIAB CCSc1ncc(Br)c(C(=O)Nc2ccccc2Cl)n1 27743751 DJEXATSPYYMQRU-UHFFFAOYSA-N 372.675 4.257 0 40 FIAB O=C(COc1ccccc1Cl)NCCc1csc(-c2ccccc2)n1 27992722 YQJAYSULPABZKE-UHFFFAOYSA-N 372.877 4.201 0 40 FIAB CCN(c1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1)C(C)C 30675882 MZGKMHHKJZDHKC-QRWLVFNGSA-N 354.450 4.088 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1C 30847638 XZRZUUDMXVBZHR-HXUWFJFHSA-N 366.505 4.036 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)N[C@H]3CCCC[C@@H]3C)co2)cc1 31424521 HBENUPGYAAODPH-KSSFIOAISA-N 374.506 4.278 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)c3cccc(Cl)c3)c2C)c1 32609748 PRHWKWRKHPWAJQ-UHFFFAOYSA-N 369.852 4.463 0 40 FIAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 32909291 PPLVXIFNXSPCRU-VGOFMYFVSA-N 357.475 4.040 0 40 FIAB O=C(O)[C@@H]1CC=CC[C@H]1c1nnc(CSc2ccc(Cl)cc2)o1 32937978 YTOYVXIOHPTPQD-CHWSQXEVSA-N 350.827 4.150 0 40 FIAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)c(OC)c1 35043338 HMBPTUFQLMRMMM-CXUHLZMHSA-N 374.849 4.440 0 40 FIAB CC(C)(C)C1CCC(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)CC1 40030745 KSBGLLSXHBLDNP-ADKAHSJRSA-N 368.525 4.288 0 40 FIAB O=C(NCc1ccc(OC(F)F)cc1)c1cc(-c2cccc(F)c2)no1 40090242 DRQNNOHCUHCNOT-UHFFFAOYSA-N 362.307 4.012 0 40 FIAB CN(Cc1ccc(Br)cc1)C(=O)Nc1cc(F)cc(F)c1 40104317 GIIXQQMIZQRHQM-UHFFFAOYSA-N 355.182 4.391 0 40 FIAB COc1ccccc1[C@H](NCc1ccc(SC)cc1)c1nccn1C 42204863 FIVWDNVFZAPMAH-IBGZPJMESA-N 353.491 4.030 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)ccc1C 44949278 IACHZSIJHNXPSC-GOSISDBHSA-N 355.434 4.195 0 40 FIAB CC(=O)N(c1nnc(SCc2c(F)cccc2Cl)s1)C1CC1 45795537 ZVGLKUANIZSNDC-UHFFFAOYSA-N 357.863 4.138 0 40 FIAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)c(Br)c1 48302553 KAEKXLLXKQAPDQ-UHFFFAOYSA-N 368.234 4.467 0 40 FIAB CN(C[C@H]1CCCN1C(=O)Nc1cccc2cccnc12)c1ccccc1 58161381 LSSFAWXGJGOGHM-LJQANCHMSA-N 360.461 4.368 0 40 FIAB CC(C)c1nc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cs1 58377351 KKBIMPDCBXSEFD-DYVFJYSZSA-N 357.479 4.012 0 40 FIAB C[n+]1c(/C=C/C=C2\C=CN(CCO)c3ccccc32)sc2ccccc21 61717408 MCHWKUZCZFLSFP-UHFFFAOYSA-N 361.490 4.149 0 40 FIAB in-vitro NC[C@@H](Nc1ccc(Cl)cc1N)c1ncc(C(F)(F)F)cc1Cl 64220217 XTUWBUPVTJVNET-GFCCVEGCSA-N 365.186 4.101 0 40 FIAB O=C(CCc1nc(-c2cccnc2)no1)Nc1cc(Cl)ccc1Cl 64799503 QTLJSQXQUGECKZ-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB Fc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 67898561 UADCAEXHPOTIEI-IBGZPJMESA-N 371.843 4.443 0 40 FIAB biogenic,in-vitro C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C 72297201 LSKIHUSWBHTFNI-NSHDSACASA-N 373.280 4.075 0 40 FIAB Cc1nc2ccc(NC(=O)NCc3ccc(-n4ccnc4)cc3)cc2s1 89729902 DJVHMIKSAALFDN-UHFFFAOYSA-N 363.446 4.112 0 40 FIAB Cc1cccc(NC(=O)N2CCCC[C@H]2[C@H](C)NC(=O)OC(C)(C)C)c1 95462292 DNKFZGHDZWPDHK-RDJZCZTQSA-N 361.486 4.295 0 40 FIAB O=C(CCCc1ccccc1)Nc1cccc(-c2nnc3ccccn23)c1 95476680 LXYCHSJBXDPFEP-UHFFFAOYSA-N 356.429 4.358 0 40 FIAB CCS(=O)(=O)C(Cl)(Cl)C(=O)c1ccc(-c2ccccc2)cc1 96518124 FKJGYQPGRVALNO-UHFFFAOYSA-N 357.258 4.102 0 40 FIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)C1 101310309 MBEBGJJODCPCRB-SZNDQCEHSA-N 368.433 4.111 0 40 FIAB Cc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102668210 ASLMFYZAWDNSGR-JXFKEZNVSA-N 357.417 4.047 0 40 FIAB C[C@@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@H]2CC[C@@H]1C2 103813760 RTXZBUSSCJLHIH-YCOCPEIJSA-N 360.567 4.018 0 40 FIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)Cc1ccc(Cl)c(Cl)c1 108852090 XTOLYXKPYLHHQR-BFQNTYOBSA-N 372.292 4.020 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148361684 ZFFUEICIKFXJSV-KRWDZBQOSA-N 363.461 4.048 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)sc1C 152698518 IWUOUICYQOFSHK-OAHLLOKOSA-N 352.463 4.127 0 40 FIAB CO[C@@H](CNC(=O)CSc1ccc(F)cc1)c1ccccc1Cl 206850652 ODUXXGXVCXKPIM-INIZCTEOSA-N 353.846 4.075 0 40 FIAB Cc1ccc(N2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)cc1 219860919 IBWSQNOUPIJZGN-UHFFFAOYSA-N 354.469 4.100 0 40 FIAB CCc1ccc(CC)c(CNC(=O)CSCc2ccc(OC)cc2)c1 222641607 ZSXXOWDNFPYEAN-UHFFFAOYSA-N 357.519 4.370 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CN2CCOCC2)cc1 223414274 GXHPJLTWAZAVGT-UHFFFAOYSA-N 372.468 4.023 0 40 FIAB CCCc1ccc(OCCNC(=O)CSCc2ccc(F)cc2)cc1 224379708 LVOIJVQGEMKAGI-UHFFFAOYSA-N 361.482 4.207 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2cccc(C)c2)c1 225393099 MVRILTNNZSIFSX-UHFFFAOYSA-N 370.518 4.399 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 226253148 OZQWBLIVVBNLRT-UHFFFAOYSA-N 367.493 4.400 0 40 FIAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)C1CCCC1)C2 643578344 SXCFFKQWSQTBEE-RTWAWAEBSA-N 369.553 4.262 0 40 FIAB C[C@H]1CN(C(=O)[C@H]2CCOc3ccc(Br)cc32)c2ccccc21 1529238436 BBABFFKOVNUVSO-WFASDCNBSA-N 372.262 4.466 0 40 FIAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@H]1C[C@]1(F)c1ccccc1 1543692980 VNVXDPRUTWZADO-QRWLVFNGSA-N 371.362 4.189 0 40 FIAB CC1(C)[C@@H](C(=O)O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1772717455 DCYJNPWHNSGCCX-LJQANCHMSA-N 365.429 4.121 0 40 FIAB O=C(NCc1cc(-c2ccoc2)cs1)c1cncc(Br)c1 1775969783 LBJUTFUKTWDAEA-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3cccnc3)o2)cc1 645155 KIHKIXWFEDRJOF-UHFFFAOYSA-N 353.447 4.404 0 40 FIAB COc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 646396 QWTDJTYBDLOYFB-UHFFFAOYSA-N 366.280 4.330 0 40 FIAB COc1cccc(Nc2nc(C)nc3c2cnn3CCc2ccccc2)c1 646862 QPEUVCIBQONXID-UHFFFAOYSA-N 359.433 4.130 0 40 FIAB CC(=O)Nc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 677138 AUBOXJVINTVKGJ-UHFFFAOYSA-N 360.413 4.330 0 40 FIAB COc1ccc2cc(C)c3nnc(SCC(=O)c4cccs4)n3c2c1 928465 MLFVFLRUGLOMKG-UHFFFAOYSA-N 369.471 4.236 0 40 FIAB CCCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 1346946 MRDQXVGYRJAJHJ-IBGZPJMESA-N 369.440 4.413 0 40 FIAB Cc1cc2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2c2ccccc12 1924427 RYCKYAGQKFNCOW-CQSZACIVSA-N 362.458 4.310 0 40 FIAB Cc1ccc(CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1 2195620 ZURVMYKINWGHPN-UHFFFAOYSA-N 354.479 4.047 0 40 FIAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1ccccn1 2341524 DRVJBBKZOYDNGA-IBGZPJMESA-N 372.355 4.077 0 40 FIAB Nn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 3251017 LICOXNQELIUISZ-UHFFFAOYSA-N 373.894 4.214 0 40 FIAB Cc1ccc2c(CSc3nnc(NC(C)C)s3)cc(=O)oc2c1C 3383435 SDOQVUUHJCRZKZ-UHFFFAOYSA-N 361.492 4.374 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2nc3c(C)cccc3s2)cc1 3524017 OJZHLAWVBODKCK-UHFFFAOYSA-N 354.431 4.215 0 40 FIAB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 3881611 JTZTZZVWEJMKLI-JHLACRBESA-N 374.521 4.012 0 40 FIAB biogenic Fc1ccc(NC(=S)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)cc1 4033732 VZMKJTXCPQCDCK-GOSISDBHSA-N 370.428 4.032 0 40 FIAB CN(C(=O)OCc1ccccc1)[C@@H](CCN1CCCC1)c1ccccc1 4290019 XGVKYTVYIWTCCD-NRFANRHFSA-N 352.478 4.482 0 40 FIAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1 4315754 KJDORSBIYZNWRT-UHFFFAOYSA-N 357.866 4.252 0 40 FIAB CO[C@H]1O[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C[C@@H]1NC(=O)c1ccccc1 4531121 DIXAXVFFZZXUJB-JSSYZSAGSA-N 365.473 4.130 0 40 FIAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 5029823 BKHNEPHIMDDBKX-UUOWRZLLSA-N 367.813 4.427 0 40 FIAB C[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccccc1 5584337 DZPOQHNCOBBIIB-AWEZNQCLSA-N 359.516 4.421 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(OC(F)(F)F)cc1 5671575 MBPNKHWSFGDPGJ-UHFFFAOYSA-N 351.324 4.091 0 40 FIAB CCN(CC)C(=O)CSc1nc(-c2cccc(C)c2)nc2c1CCCC2 6311409 WIDBUNNVSLNFET-UHFFFAOYSA-N 369.534 4.291 0 40 FIAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccccc1Br 6423075 CDSCCVWAEMNNDP-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)CCC2 6646633 HMQWZAGFKYVQDE-UHFFFAOYSA-N 364.214 4.094 0 40 FIAB Cc1[nH]c2ccc(Br)cc2c1CCNC(=O)OC(C)(C)C 6658295 KLPRZWCOUSDNIR-UHFFFAOYSA-N 353.260 4.306 0 40 FIAB O=C1CCCC[C@@H]1Sc1nc2sccc2c(=O)n1-c1ccccc1 6907538 YPSICDSFCHQUNW-HNNXBMFYSA-N 356.472 4.051 0 40 FIAB Cc1ccccc1-c1nn(CN(C)Cc2cccc(F)c2)c(=S)n1C 7091493 JKGQBVYWNKQLFP-UHFFFAOYSA-N 356.470 4.155 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1cc(Cl)ccc1F)O[C@@H](C)C2 7116976 RPAHBOBIMFPVJG-NSHDSACASA-N 363.816 4.131 0 40 FIAB O=C(/C=C/c1nc2ccccc2s1)OCC(=O)c1ccc(Cl)s1 7432819 LZQMVLDYPNSMME-BQYQJAHWSA-N 363.847 4.451 0 40 FIAB COC(=O)c1ccc(-c2ccc(CNCc3ccc(OC)cc3)o2)cc1 7539354 NIYOKIUKIJFJAD-UHFFFAOYSA-N 351.402 4.032 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 8674510 ZKONEWPFCDSHCA-UHFFFAOYSA-N 356.447 4.215 0 40 FIAB Cc1nc2c(=O)n(Cc3cccc(F)c3)nc(-c3cccs3)c2s1 8956026 BZVZWEFXWJGUAU-UHFFFAOYSA-N 357.435 4.077 0 40 FIAB Cc1ccc(F)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)c1 9677748 SRHXGPBSJYTRJN-UHFFFAOYSA-N 353.372 4.200 0 40 FIAB COc1ccc(-c2nc(/C=C/C(=O)Nc3nc(C)cs3)cs2)cc1 9913262 JHFFYWRTXTWMOF-VMPITWQZSA-N 357.460 4.236 0 40 FIAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc3sccc3c2)cc1 10218552 GLTGHYJJBUCTAW-UHFFFAOYSA-N 373.499 4.402 0 40 FIAB Cc1cc(C)c(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)c(Cl)c1 10942948 NMGYQVKBKLTXPN-UHFFFAOYSA-N 371.868 4.356 0 40 FIAB CSc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=O)c1 11326407 AHAGDCLHFAHCBQ-UHFFFAOYSA-N 370.499 4.246 0 40 FIAB CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 11716225 ONHZNNHATBMUNV-UHFFFAOYSA-N 362.429 4.452 0 40 FIAB CCc1ccc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 11999867 SPUVQWLIZKANLN-UHFFFAOYSA-N 364.445 4.175 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)c2sc(C)nc2C)cc1 12162311 IEDNEAYEDOGXHB-RDGPPVDQSA-N 370.518 4.471 0 40 FIAB CCc1ccc2c(CC(=O)N[C@@H](c3ccccc3)c3nccn3C)coc2c1 12520298 NLRQXTOCTCGDDP-QFIPXVFZSA-N 373.456 4.177 0 40 FIAB Cc1cc(-n2c(C)cc(/C=C3\N=C(c4ccc(C)s4)OC3=O)c2C)no1 12913925 VHBSCPVNYGVWGE-DHDCSXOGSA-N 367.430 4.105 0 40 FIAB Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1C[C@H]1CCCO1 13140135 IDMMGLRADVKANV-GTOLFZDISA-N 355.438 4.162 0 40 FIAB C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc(OC(F)F)cc1 14094214 JKBVNVGADQIVQE-SECBINFHSA-N 365.361 4.030 0 40 FIAB CCN1CCC2(CC1)CN(Cc1ccsc1)Cc1cc(C)ccc1O2 19527064 NDMZAVMNGXEBNP-UHFFFAOYSA-N 356.535 4.306 0 40 FIAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1 20197095 GDBWBCCEFDVLJJ-UHFFFAOYSA-N 371.437 4.093 0 40 FIAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCc1cccnc1 20723577 DCRYZCRNKKNCNB-UHFFFAOYSA-N 355.441 4.410 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(Cl)cc2)n1 21168552 PFNGCLVBLZZJGK-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB Cc1ccoc1C(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 21668723 BCURCNYGPRVKLQ-UHFFFAOYSA-N 357.797 4.096 0 40 FIAB CSCc1nc2ccccc2n1CC(=O)N[C@@H](C)CCc1ccccc1 21706906 LTUGGUSADUNQFX-INIZCTEOSA-N 367.518 4.037 0 40 FIAB Nc1nc(SC[C@H]2CC2(Cl)Cl)nc2sc3c(c12)CCCC3 24047745 KPXVQIMZNJYFBI-SSDOTTSWSA-N 360.335 4.438 0 40 FIAB COc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3Cl)sc2c1 27664153 WUQVBRMENCKQRP-SNVBAGLBSA-N 362.838 4.364 0 40 FIAB O=C(NC1=NCCS1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 32836463 BWOFPULZAYNYDS-UHFFFAOYSA-N 366.364 4.330 0 40 FIAB CSc1ccccc1NC(=O)[C@H](C)N1CCC(c2ccc(O)cc2)CC1 32891636 YDVHRQPEBSHRND-HNNXBMFYSA-N 370.518 4.321 0 40 FIAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(F)cc4)ncnc3c2c1 33172483 RGWFAUNMLILQQM-UHFFFAOYSA-N 366.421 4.289 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2Cl)cc1 35287175 RNYWXTCQGPMXPH-FOIQADDNSA-N 372.896 4.363 0 40 FIAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 35671387 VBJPPLPWPSPXJZ-NSHDSACASA-N 353.447 4.484 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)c(C)s1 40080926 YGDAGXTVCNONQD-RDTXWAMCSA-N 364.555 4.263 0 40 FIAB C[C@H](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)NC(=O)c1ccccc1 40152024 DXWZAEXYGOTBFI-VGSWGCGISA-N 364.489 4.243 0 40 FIAB CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 40162129 PVEIVVOJRPWQRW-LJQANCHMSA-N 368.477 4.198 0 40 FIAB CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 41686381 CAGDUAOYSIUFHN-UHFFFAOYSA-N 369.424 4.275 0 40 FIAB CCOCc1ccccc1CNC(=O)Nc1ccc(OC(F)F)cc1 48344566 AFIQHKZUKMOHSA-UHFFFAOYSA-N 350.365 4.146 0 40 FIAB COc1ccc(CNC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1OC 48362579 DZOQDYWDTAELNK-QGZVFWFLSA-N 362.495 4.352 0 40 FIAB CC(C)(NC(=O)c1scnc1Cl)c1ccc(Br)cc1 53511107 WAUKATQKDASXAF-UHFFFAOYSA-N 359.676 4.224 0 40 FIAB O=C(Cc1ccc2c(c1)CCCC2)NCCc1coc(-c2ccccc2)n1 58162205 LQXDHKBHZGVKRF-UHFFFAOYSA-N 360.457 4.122 0 40 FIAB Cc1cc(C(=O)NCc2nc(-c3ccccc3)cs2)c(C)n1C1CC1 58508991 GYKAAYBZZOAXMV-UHFFFAOYSA-N 351.475 4.493 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cccs1 69491012 NNYHNOFQEBEIBN-KDOFPFPSSA-N 372.534 4.490 0 40 FIAB O=C(OCc1ccc(-c2ccccc2)cc1)c1ccc(N2CCNC2=O)cc1 71817652 NJTLIHCTHCGEOL-UHFFFAOYSA-N 372.424 4.240 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1(C)C 71832766 MEEUIKYJQOAXJL-GMBSWORKSA-N 362.464 4.146 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N(Cc1ccncc1)C1CC1 76036152 VNKQLNGXIFSEAZ-UHFFFAOYSA-N 365.433 4.320 0 40 FIAB Cc1cccc(CCNC(=O)c2cnc(C)c(Br)c2Cl)c1 84210710 HIDAUDWTIZZKBU-UHFFFAOYSA-N 367.674 4.087 0 40 FIAB O=C1C[C@H](CNCc2cnc(-c3ccsc3)s2)c2ccccc2N1 84673774 SRZKAIUPKCJWHK-CYBMUJFWSA-N 355.488 4.087 0 40 FIAB C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cnn4cccnc34)c2)C1 84689715 RPSOIPGEIWUNCM-CRAIPNDOSA-N 364.449 4.077 0 40 FIAB CCO[C@@H]1C[C@H](O)C12CCN(Cc1cc(-c3ccccc3)cs1)CC2 93614237 MLKOXRCJAFZQFT-VQTJNVASSA-N 357.519 4.167 0 40 FIAB Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96116923 MEHUFAXDSCZKGH-SFHVURJKSA-N 370.884 4.288 0 40 FIAB C/C(=C\C(=O)Nc1cccc(NC(N)=O)c1)C12CC3CC(CC(C3)C1)C2 96133991 OHGOLQUSQMTTAZ-WLRTZDKTSA-N 353.466 4.278 0 40 FIAB O=C(c1ccnn1-c1ccc2ccc(-c3ccccc3)cn12)N1CCCC1 96155234 AVEUBSAETZHKHC-UHFFFAOYSA-N 356.429 4.028 0 40 FIAB CNC(=S)N1N=C(c2cccc(OC)c2)C[C@H]1c1cccc(Cl)c1 97105048 GHOFPOLXNXENEH-KRWDZBQOSA-N 359.882 4.004 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1cccc2ccccc12 206701510 LYZCNCPYEPNMCO-FQEVSTJZSA-N 353.849 4.276 0 40 FIAB COc1ccc(CNC(=O)N2CCCC[C@H](c3ccc(OC)cc3)C2)cc1 206886932 XYQXTYFBPVVBOW-IBGZPJMESA-N 368.477 4.183 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)c(C)c1 216462398 GCSSJQUKQJUSBU-LJQANCHMSA-N 355.434 4.276 0 40 FIAB Cc1ccc(C)c(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 218951961 FMQJNGFFNUCSDD-SFHVURJKSA-N 353.462 4.409 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCN(C)c1ccccc1 219336471 JNAFOWNTRWKRFM-NRFANRHFSA-N 362.473 4.250 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1Cl 222752582 LRYHNJCIEYXNID-MRXNPFEDSA-N 372.896 4.174 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cccc(C)c1C 223945268 DRTLNXSRKVNTRP-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB CCOc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 225073690 ISDRAULZRMOESA-UHFFFAOYSA-N 368.658 4.431 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1cccc(C)c1 225122808 GAXSXSVWWYXRFG-JOCHJYFZSA-N 367.489 4.226 0 40 FIAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC1CCCCC1 225351484 JJRFRKHIMCLRCB-HXUWFJFHSA-N 374.525 4.051 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)ccc1F 225602281 ZXBZPXCYOJUCCX-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2ccccc2OCC)cc1 225621687 OXKYBLIXAMMRCC-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225725189 DTVVHOJNSDGEDV-UHFFFAOYSA-N 368.864 4.418 0 40 FIAB COc1ccc(NC(=O)CCCn2cc(-c3ccc(F)cc3)cn2)cc1 257173433 NCYYJPAYGHGJBG-UHFFFAOYSA-N 353.397 4.117 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 260828098 KXPXDLPUFPXZEO-LPHOPBHVSA-N 356.897 4.429 0 40 FIAB O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCC1 408975690 CEWGOFYMCDUVPD-UHFFFAOYSA-N 359.385 4.386 0 40 FIAB Cc1cnccc1OC1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 517494789 KLTFXFUDXDWILC-UHFFFAOYSA-N 369.852 4.208 0 40 FIAB Cc1nnc(NC(=O)C2(c3cccc(Cl)c3)CCCCC2)n1C1CC1 557204256 ZVUIXWZIPOXJLI-UHFFFAOYSA-N 358.873 4.415 0 40 FIAB Cc1c(CCc2nc(C3(c4ccc(F)cc4F)CCCC3)no2)cnn1C 558392049 ZAAAIYLGJLCBMT-UHFFFAOYSA-N 372.419 4.035 0 40 FIAB Cn1ccnc1[C@H]1N(C(=O)Nc2ccnc(-c3ccccc3)c2)CC1(C)C 573895810 SMRLRCGKQADSKK-GOSISDBHSA-N 361.449 4.097 0 40 FIAB O=C(Nc1ccccc1Cl)N1CC(Oc2cccc(C(F)(F)F)n2)C1 575606602 HZOYESAMIXGDRI-UHFFFAOYSA-N 371.746 4.049 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)/C(F)=C/C2CCCCC2)CC1 585079717 BNWDYFZJTJMCID-CYVLTUHYSA-N 358.457 4.297 0 40 FIAB O=C(N1CC[C@]2(CCCOC2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 585081458 PIOXVTDVOBZWTJ-GOSISDBHSA-N 367.411 4.057 0 40 FIAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 806853 JOZQLRVDLAEZRV-SFHVURJKSA-N 374.440 4.230 0 40 FIAB CC(=O)Nc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 813384 KRVFUPXMNZLEJK-UHFFFAOYSA-N 366.446 4.471 0 40 FIAB COc1ccc(CNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)cc1 1384053 LZLJERNWBYCFQV-UHFFFAOYSA-N 372.877 4.326 0 40 FIAB Cc1nc(SCc2ccc(Cl)cc2)nc(N2CC2)c1Br 1681565 GTFQWFNYQHAKBA-UHFFFAOYSA-N 370.703 4.313 0 40 FIAB Cc1ccc(F)cc1NCN1C(=O)S/C(=C\c2ccccc2F)C1=O 2119899 HGECFHXEHWVVLH-PXNMLYILSA-N 360.385 4.379 0 40 FIAB Cc1ccc(S(=O)(=O)NCC[C@H](C(C)C)[C@H]2CCOC(C)(C)C2)cc1 2264356 WQDAGZWGDLOAFT-PKOBYXMFSA-N 367.555 4.141 0 40 FIAB COc1ccc2[nH]cc([C@@H](O)CN3CCC(Cc4ccccc4)CC3)c2c1 2296729 VPJGYORAHWGDBK-QHCPKHFHSA-N 364.489 4.165 0 40 FIAB CCCCSc1nc(NN)c2c3c(sc2n1)CO[C@](C)(CC)C3 2425117 RDUNDJJCMUZCQK-MRXNPFEDSA-N 352.529 4.111 0 40 FIAB Cc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 3008103 WNJGQEPIJOVDEQ-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB CCOCCCn1c(SCc2ccccc2)nnc1-c1ccncc1 3223019 UCKSBQMIZLVGEA-UHFFFAOYSA-N 354.479 4.059 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1 3336589 CTVDISHFQLMZJC-UHFFFAOYSA-N 366.490 4.296 0 40 FIAB CCN(CC)c1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1 4084419 AQXCLNQJBPZYGY-SANMLTNESA-N 365.502 4.298 0 40 FIAB C[C@@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)c1c[nH]c2ccccc12 4266843 KVOSACKPCYKBMB-LLVKDONJSA-N 361.430 4.055 0 40 FIAB O=C(Oc1cccc2c(OC(=O)N3CCCC3)cccc12)N1CCCC1 4501666 URRYIFSEKGTJLP-UHFFFAOYSA-N 354.406 4.029 0 40 FIAB Nc1nc(SCC(=O)c2ccccc2)nc2sc3c(c12)CCCC3 4734404 RLTCTFRIBVMVCA-UHFFFAOYSA-N 355.488 4.127 0 40 FIAB Fc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 4848432 YHBNNVFFDQRZIS-UHFFFAOYSA-N 361.376 4.481 0 40 FIAB COc1ccc(OCCSc2nc3ccccc3c(=O)n2C(C)C)cc1 4948199 JAJYFOADVRZWBU-UHFFFAOYSA-N 370.474 4.157 0 40 FIAB COc1ccc(Cc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 5347186 CAXFUVNIXXFADV-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1cccc(C(F)(F)F)c1 5441207 IUSSIGYHNRZERH-UHFFFAOYSA-N 362.351 4.475 0 40 FIAB Cc1cc(Br)c(O)c(-c2nc(N3CCCC3)sc2C)c1 5534553 QONXMXFQBLWROP-UHFFFAOYSA-N 353.285 4.495 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1C 5841563 RXEMJVMFCHPPDT-CBGDNZLLSA-N 365.473 4.451 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 6154057 XRYQTGJGFDYGQP-UHFFFAOYSA-N 361.376 4.387 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1cc(C2CC2)nn1-c1ccccc1 6610537 ZGYLAMSAABVTOS-UHFFFAOYSA-N 364.474 4.337 0 40 FIAB O=C(Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1)c1ccco1 6809697 KNEUNGXRIOIJQN-UHFFFAOYSA-N 356.330 4.473 0 40 FIAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2cccs2)o1 6852702 KKAJCLKKLKTGMU-VIFPVBQESA-N 359.480 4.455 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cc1C(C)C 7361247 NGWGKMHJONMNIN-UHFFFAOYSA-N 363.479 4.407 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 7723917 CSYSQQWFRIONDB-NSHDSACASA-N 360.385 4.494 0 40 FIAB CSc1ccc(CN(C)C(=O)CN2CCc3sccc3[C@H]2C)cc1 7878950 KPGXUXZSTDSMPY-CQSZACIVSA-N 360.548 4.048 0 40 FIAB Cc1ccc(F)cc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 7989375 NPHZFIHTURIDGU-KRWDZBQOSA-N 362.832 4.181 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCCO2 8124276 JRGJICKAOTZPNA-OAQYLSRUSA-N 362.429 4.133 0 40 FIAB CCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8673459 ANUQIGJGMADVIU-UHFFFAOYSA-N 350.418 4.246 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccs3)cs2)cc1 8776316 PJWHILGVPALXJQ-LBPRGKRZSA-N 358.488 4.300 0 40 FIAB CC(=O)c1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 8849173 VQZIZAQKJWDWMK-UHFFFAOYSA-N 374.425 4.208 0 40 FIAB COc1cc(C(=O)O[C@H](C)C(C)=O)ccc1OCc1ccc(Cl)cc1 9247456 QVVYSTOGJJPLLM-CYBMUJFWSA-N 362.809 4.062 0 40 FIAB O=C(CCN1CCc2sccc2C1)Nc1c(Cl)cccc1Cl 10093100 QWSFOIWWSOSLSG-UHFFFAOYSA-N 355.290 4.442 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 10448967 AAHSXJCUJVAOLA-OAHLLOKOSA-N 361.869 4.439 0 40 FIAB CC(C)Oc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1 10543840 IZXQMWLFVHYOPM-UHFFFAOYSA-N 355.459 4.106 0 40 FIAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cc(Cl)ccc1Cl 10763741 RTIDALGVSGARNE-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc2c(cc1Cl)OCCO2 10997690 FWNVFUCQVIQZMV-UHFFFAOYSA-N 371.742 4.311 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c2c1[C@H](C)CC2=O 11052231 RLHCXWIJKCDGTQ-LLVKDONJSA-N 361.800 4.495 0 40 FIAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(F)cc1)c1ccccn1 11914622 SUBKOHJLMQOIDD-UHFFFAOYSA-N 364.420 4.450 0 40 FIAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)NC1CCCCC1 12293081 IJJKGYXNDLMSJU-UHFFFAOYSA-N 365.477 4.113 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 12375632 KSCYNJPSJPOFPH-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1Cc1ccccc1 12415955 XZANZUXSZCETEM-OXQOHEQNSA-N 354.475 4.015 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)O[C@@H](C)C2 12523463 GDBQHDLLNHIUOP-KBPBESRZSA-N 372.440 4.295 0 40 FIAB O=C(NCCCn1ccc2ccccc21)c1cccc(Br)c1 12734924 RVKXHUJIDFQZLY-UHFFFAOYSA-N 357.251 4.224 0 40 FIAB CNC(=O)c1ccccc1NC(=O)c1sc2cccc(C)c2c1Cl 12746511 MZDPFLXUIRTDRC-UHFFFAOYSA-N 358.850 4.475 0 40 FIAB Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)o1 12862086 WNYPIOIYJDOCJE-UHFFFAOYSA-N 357.797 4.096 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)ccc21 13253438 LKDILFQDXLKRLR-IAGOWNOFSA-N 362.429 4.420 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)COc2ccccc2)cc1 14552581 TWQVTJJEROJMRU-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(OC(F)F)cc2)N1C[C@@H]1CCCO1 15503015 VOIATPNTZBHCRA-MAUKXSAKSA-N 374.387 4.034 0 40 FIAB COc1ccc([C@H]2CCCN2Cn2nc(-c3cccs3)[nH]c2=S)cc1 16359757 HHTIVEGPLITEOL-OAHLLOKOSA-N 372.519 4.472 0 40 FIAB O[C@H](CNCc1ccccc1OCc1ccccc1F)c1ccccc1 16477562 QHVHJIIMIVVFAX-OAQYLSRUSA-N 351.421 4.228 0 40 FIAB COc1ccc(C[C@H](NC(=O)[C@@H]2CC=CCC2)c2ccc(OC)cc2)cc1 18705159 CZZKFOVJCLXFNT-KNQAVFIVSA-N 365.473 4.460 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1 20459015 GAQUJNNNYYHQFL-LIRRHRJNSA-N 372.440 4.150 0 40 FIAB COc1ccc(NC(=O)c2c(-n3cccc3)sc(C)c2C)cc1OC 25153347 SJYUKJBCHPWVJM-UHFFFAOYSA-N 356.447 4.425 0 40 FIAB Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCC2)cc1 27793122 IEECWSIWYGLTPR-GAWOJFTKSA-N 366.549 4.465 0 40 FIAB Cn1c(=O)n(C)c2cc(Sc3ccccc3)c(NC(=O)C(C)(C)C)cc21 28049129 HMVNQCPBOJEUDZ-UHFFFAOYSA-N 369.490 4.013 0 40 FIAB O=C(NCCCn1ccnc1)c1sc2cccc(Cl)c2c1Cl 28225974 MANGYEDITPAKCZ-UHFFFAOYSA-N 354.262 4.225 0 40 FIAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(Cl)c1)CC(O)=N2 32101879 UFLGDWRRBKBUCV-GFCCVEGCSA-N 374.231 4.401 0 40 FIAB Cc1ccc(NC(=O)COc2cccc(NC(=O)c3ccco3)c2)c(C)c1 32817737 SWCWBLGODGKOLT-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB O=C(Nc1ccccc1Cn1cccn1)c1ccc(Br)s1 40090481 XSJWCNVOFISBQF-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 40913205 QIMRUOOUPVVXDP-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)c(Cl)c1Cl 44844722 FQXCAAVERJVULU-NSHDSACASA-N 374.289 4.350 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 46469422 RCDFXXOSGLPJGB-MRXNPFEDSA-N 364.877 4.090 0 40 FIAB Cc1ccc2nsnc2c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 57335641 UGDWOHPMKVVUPW-UHFFFAOYSA-N 361.854 4.449 0 40 FIAB O=C(Nc1ccc(Sc2nncs2)cc1)C1(c2ccccc2)CC1 65489499 LYMRXUHOMHQBDL-UHFFFAOYSA-N 353.472 4.360 0 40 FIAB O=C(Nc1cccnc1Cl)N1CCC(CCc2ccc(O)cc2)CC1 65776861 BQFICASYWIJULL-UHFFFAOYSA-N 359.857 4.317 0 40 FIAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72214386 LKEMUZPNTWOKSO-QGZVFWFLSA-N 367.449 4.406 0 40 FIAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72349370 JLVQNINLYKZHOK-NRFANRHFSA-N 371.484 4.401 0 40 FIAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)NC(C)(C)C1CC1 75094210 BLNKHHDZPXFCHC-UHFFFAOYSA-N 357.498 4.177 0 40 FIAB O=C(Cc1ccccc1Cl)NC1(c2nc(C3CC3)no2)CCCCC1 75164156 SNQHRXIUKCYXLI-UHFFFAOYSA-N 359.857 4.119 0 40 FIAB COc1ccccc1OCC(=O)NCc1ccccc1-c1ccsc1 96122894 XDEDNCRQJBHRIT-UHFFFAOYSA-N 353.443 4.119 0 40 FIAB CC(C)n1c2ccccc2c2c1cc(C(=O)N(C)Cc1ccccn1)n2C 96146405 RTOJMNUMAUAWTN-UHFFFAOYSA-N 360.461 4.381 0 40 FIAB O=C(c1cc(-c2ccn(Cc3ccccc3)n2)n2ccccc12)N1CCCC1 96154799 QRJQCWCCDOMAKM-UHFFFAOYSA-N 370.456 4.087 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1cccs1 100424839 UTVULYZHEJPRJP-ROUUACIJSA-N 358.482 4.203 0 40 FIAB CCCCOc1ccc(C(=O)/N=c2/sc3cc(OC)ccc3n2C)cc1 100852823 NXHKWVMDWRLXQH-QZQOTICOSA-N 370.474 4.168 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(F)c(C)c1 101274243 JHQWRKKXFYCLDE-UZLBHIALSA-N 372.465 4.467 0 40 FIAB CCc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 101277110 DAQYJSQICGIPKG-HNNXBMFYSA-N 363.244 4.300 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1csc(Nc3ccccn3)n1)C2 106799270 IXXVFOSXKWAZOB-PJFSTRORSA-N 356.495 4.226 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 111894586 ZUSYAGRBPBQCLC-CYBMUJFWSA-N 360.841 4.321 0 40 FIAB Cc1nc(C)c(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)s1 154891025 WVCWUUOGCINXNB-MRXNPFEDSA-N 352.463 4.134 0 40 FIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccccc1Cl 222578231 KQQVKJGEPGPWMQ-UHFFFAOYSA-N 355.800 4.175 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc(C)c1C 222822104 FSZIDEACZSWMGA-GOSISDBHSA-N 369.461 4.109 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 222983759 RYBHBANSWAOXOB-HXUWFJFHSA-N 368.477 4.238 0 40 FIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccncc1 223483379 DQEGTSDBROCQQW-SJORKVTESA-N 366.515 4.019 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1OC 223828547 BJIFIEVGCOBFEV-OAQYLSRUSA-N 367.489 4.390 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1Cl 224440210 VKMXTAXDDRJWPE-OAHLLOKOSA-N 368.260 4.346 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccccc1 224920955 KAPPZQQOHLSCTF-MRXNPFEDSA-N 355.503 4.241 0 40 FIAB O=C(NCCCc1ccccc1)NCc1cccnc1-c1cccs1 225762249 GUCYDIRZMHKDSF-UHFFFAOYSA-N 351.475 4.242 0 40 FIAB Cc1ccccc1-c1noc(CCC(=O)N[C@H](C)CCc2ccccc2)n1 225816961 FTWUMCFQNOOXCH-QGZVFWFLSA-N 363.461 4.115 0 40 FIAB C[C@@H](O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 226273130 MCTFUEJIIINFCT-SECBINFHSA-N 354.631 4.408 0 40 FIAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)cc4)OCC[C@@]31C2 257292602 QMGJKBQSQJVFDN-XUKPVSMISA-N 357.494 4.191 0 40 FIAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 257335382 YJXMFZHLFIBCAH-LJQANCHMSA-N 357.457 4.472 0 40 FIAB COCc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 260854607 ZWOBENGLZQBQKQ-KRWDZBQOSA-N 352.478 4.317 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 408674116 YKESFTGFGXCLGJ-WBVHZDCISA-N 351.446 4.467 0 40 FIAB Cc1ccccc1NCc1ccccc1OS(=O)(=O)c1ccccc1 409113504 GMOHFOCBAWBFGU-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 409225274 MQCIILHDKZUUSN-LDADJPATSA-N 367.426 4.005 0 40 FIAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2noc3c2CCCC3)o1 518597654 BRJWCIZPRYHTQE-SUMWQHHRSA-N 357.454 4.138 0 40 FIAB O=C(NC[C@@H](c1ccsc1)n1cccn1)c1cc2ccccc2s1 575614491 UUFPRBBKUGLRAZ-HNNXBMFYSA-N 353.472 4.179 0 40 FIAB C[C@@H]1OCC[C@]12CN(C(=O)Nc1cc(Cl)ccc1C(C)(C)C)CCO2 670053809 CFIWVRKVGSXKQK-DJJJIMSYSA-N 366.889 4.049 0 40 FIAB COc1ccc2c(c1)O[C@H](c1cc(Cl)cc3c1OCOC3)[C@@H](C)C2=O 940973 JQPMWDLFVQEUQQ-YPMLDQLKSA-N 360.793 4.168 0 40 FIAB c1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccncc4)SC3)cc2)cc1 1033686 FOVULJIUJRINLS-UHFFFAOYSA-N 369.453 4.365 0 40 FIAB CCc1ccc(CN2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 1179473 BHOLYRNEZWYHGO-UHFFFAOYSA-N 362.517 4.046 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc1 1363408 KECDBRHCPFRYFL-QGZVFWFLSA-N 365.408 4.204 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2nc3c(s2)CCCC3)cc1OC 1974402 BMEGIIBDJBCJOX-PKNBQFBNSA-N 358.463 4.081 0 40 FIAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21 2368153 CCPUPBBFHXWAMY-INIZCTEOSA-N 359.404 4.223 0 40 FIAB aggregator O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccccc1F 3235838 OTPWVAZANVJBFB-UHFFFAOYSA-N 363.388 4.212 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 3257081 FQMJMQAZROQICY-UHFFFAOYSA-N 352.463 4.037 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1ccccc1Br 3904922 NTTBMJIADQIFRG-HZSPNIEDSA-N 354.288 4.257 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 4667197 LTGPDWFGOLJXJT-ZDUSSCGKSA-N 365.882 4.187 0 40 FIAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCCC3)s2)cc1 4835698 IWGKTWHOJGJWIN-UHFFFAOYSA-N 362.524 4.120 0 40 FIAB O=C(O)[C@H]1[C@H]2CCCCC2=C2CCCC[C@H]2[C@H]1C(=O)Nc1nccs1 4946256 UAEKMUHPIUFOAJ-QXSJWSMHSA-N 360.479 4.089 0 40 FIAB Cc1cc(Br)ccc1-c1ccc(CNCCCN(C)C)o1 4999732 IBVCXGPCVCPUSZ-UHFFFAOYSA-N 351.288 4.059 0 40 FIAB C[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 5014838 DOQPSLKXZNSSBL-VJWQYWRGSA-N 370.452 4.335 0 40 FIAB C/C(=C\C(=O)Nc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 5183571 HVMTVFXUFQFUCZ-FOCLMDBBSA-N 355.869 4.005 0 40 FIAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1N1CCCC1=O 5439984 PUNPSXVLJMUMTA-UHFFFAOYSA-N 362.351 4.393 0 40 FIAB Cc1ccccc1NC(=O)[C@@]1(c2cccs2)CC(=O)N1c1ccccc1 5482883 PVHBQKBZLUDJGX-NRFANRHFSA-N 362.454 4.327 0 40 FIAB COc1ccc(-c2nc(NC(=O)Nc3ccc(C)cn3)sc2C)cc1 6550481 FFSHZKONHYEKRL-UHFFFAOYSA-N 354.435 4.475 0 40 FIAB CCCCn1nc(C(=O)Nc2ccc(F)cc2Cl)c2ccccc2c1=O 6650673 BOFXKXZDRLKTKK-UHFFFAOYSA-N 373.815 4.241 0 40 FIAB Fc1cccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3nnnn32)c1 6759112 IJTRGPMZGAZHBC-LSDHHAIUSA-N 364.211 4.265 0 40 FIAB CCOc1ccccc1NCC(=O)Nc1ccc(Br)cc1F 7974828 FHTUFLPXYFWPHT-UHFFFAOYSA-N 367.218 4.038 0 40 FIAB COc1ccc(-c2nc(C(=O)Oc3ccc(C(C)=O)cc3)cs2)cc1 8007454 PLFCIEJECNNSHO-UHFFFAOYSA-N 353.399 4.241 0 40 FIAB CC(C)CC(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12 9108076 DGNLNQCDYNYKLS-UHFFFAOYSA-N 355.369 4.204 0 40 FIAB CCCCSc1nnc(SCC(=O)Nc2ccc(Cl)cn2)s1 9314191 ZMYSFGUSVNXOLG-UHFFFAOYSA-N 374.944 4.210 0 40 FIAB Cc1sc2nc(-c3cccnc3)nc(N(C)Cc3cccnc3)c2c1C 9368344 XFEYQIZEWGFGKJ-UHFFFAOYSA-N 361.474 4.402 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCO2)c1csc(-c2ccccc2)n1 9530916 CNZCJQMHXLXCNF-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB CC1=C(C)[C@@H](c2c[nH]c3ccccc23)N(Cc2ccc3c(c2)OCO3)C1=O 9668382 PRDWRUIVDNRCBD-NRFANRHFSA-N 360.413 4.317 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 10491694 GGXSRYNTJVAFBU-MRXNPFEDSA-N 366.795 4.011 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2cccs2)cc1 10512175 QNJSGTHWFVSZDK-UHFFFAOYSA-N 372.471 4.174 0 40 FIAB CCC(=O)Nc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)[C@H](C)O2 12295878 MIHJZJDEPDAPMK-LBPRGKRZSA-N 358.825 4.003 0 40 FIAB Cn1c(C[C@H](NC(=O)C[C@H]2C=CCC2)c2ccccc2)nc2ccccc21 12604275 CXGSNDSEQQIFAP-PXNSSMCTSA-N 359.473 4.330 0 40 FIAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCc2ccccc21 12917570 LOIBWJLUWYSYEH-UHFFFAOYSA-N 361.420 4.093 0 40 FIAB O=C(NC1CCCC1)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 13945430 BCSQJFBWCFPVRK-GOSISDBHSA-N 351.475 4.455 0 40 FIAB CC(C)C(=O)Nc1ccc(NC(=O)COc2cccc3ccccc23)cc1 14258430 QBVJPJCNIOCVBB-UHFFFAOYSA-N 362.429 4.452 0 40 FIAB COc1cccc(CC(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 14673397 BJVODIJZXLBASR-UHFFFAOYSA-N 366.486 4.029 0 40 FIAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2ccc(Cl)cc2)no1 14778212 DOFBTAJFTSATPC-LBPRGKRZSA-N 371.824 4.101 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)COc2cc(C)cc(C)c2)c(OC)c1 15829594 PUVMSMHPWRCIDP-FQEVSTJZSA-N 369.461 4.063 0 40 FIAB O=C(/C=C/c1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2 16019980 AWGQELCCVFWSQH-FPYGCLRLSA-N 365.307 4.008 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2N2CCCC2=O)o1 16261653 HRNBHVDYNLVUQF-AVWWHXKWSA-N 350.418 4.182 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20730708 CIUUUWGQCCXODA-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 21357227 MYOJYYRNVGRYHH-HNNXBMFYSA-N 368.502 4.478 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccc(C)s3)n2)c(OC)c1 22365210 VPJHIMLNTHXPAI-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB O=C(CCCc1nc2ccccc2s1)Nc1ccc(N2CCCC2)nc1 22389470 NVLFWAMEXIMMRS-UHFFFAOYSA-N 366.490 4.253 0 40 FIAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)c1 22626489 YKSSBHDJIUVGOV-ZQIUZPCESA-N 370.522 4.181 0 40 FIAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(C)nc1 23452678 DUIQRDDILYDOQP-UHFFFAOYSA-N 352.459 4.303 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccn(Cc2ccc(Cl)cc2)n1 27929583 OGHPMTFXZAQBOH-UHFFFAOYSA-N 364.836 4.247 0 40 FIAB CCOc1ccccc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F 32753511 SMYCPLGNRZNNMM-UHFFFAOYSA-N 359.376 4.102 0 40 FIAB Nc1ccc(NC(=O)c2ccc(Br)cc2)c(Br)c1 36738593 HESOHMINBUFFBB-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39748895 MDULQCXFBYEFGP-UHFFFAOYSA-N 360.860 4.008 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)nc1 40145917 ZETYDQPPGCFESK-FQEVSTJZSA-N 373.456 4.034 0 40 FIAB COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 40156640 CJLOFLNAIKRGFN-SNVBAGLBSA-N 367.829 4.385 0 40 FIAB COC(=O)c1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 42379132 KSANDXMHDWXCJU-UHFFFAOYSA-N 356.403 4.059 0 40 FIAB CC(=O)Nc1ccc(NC(=O)NCCSCc2cccs2)cc1C 44048317 GJUVNZWBUCWAHJ-UHFFFAOYSA-N 363.508 4.070 0 40 FIAB CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccccn3)c12 46740262 RTOBXBDIDYBNMT-GFCCVEGCSA-N 350.422 4.110 0 40 FIAB COc1ccc(OC)c(NC(=O)CN[C@H](C)c2cccc3ccccc23)c1 57369663 WHDLDMFWGDOQPP-OAHLLOKOSA-N 364.445 4.146 0 40 FIAB CC(C)(C)c1ccc(CSc2nc3cc(Cl)ccc3c(=O)n2N)cc1 71327750 QMOGLNZBJXYOEN-UHFFFAOYSA-N 373.909 4.354 0 40 FIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C)cc1 72329010 GZURQFRZGZFITQ-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB Cn1c(SCCn2cc(-c3ccccc3)cn2)nnc1-c1cccs1 79024276 SFGXSZSYJKAOIK-UHFFFAOYSA-N 367.503 4.199 0 40 FIAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1ccc2c(c1)nnn2C 79105163 FZGSZDQFIPTIEA-UHFFFAOYSA-N 350.205 4.057 0 40 FIAB Cc1cc(OCC(=O)Nc2ccccc2)c2cc(Br)ccc2n1 84688586 IZZZMTDNAWCGCT-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB O=C(Nc1nnc(CCOc2ccccc2)s1)c1ccccc1Cl 95116361 HLXDZHNIZYZFPL-UHFFFAOYSA-N 359.838 4.065 0 40 FIAB CCc1cc(=O)c2cc(NC(=O)C/C=C/c3ccc(F)cc3)ccc2[nH]1 95465580 HGGHVPWGTKHIBL-ONEGZZNKSA-N 350.393 4.272 0 40 FIAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccc(N(C)C)cc2)s1 96024503 CPDGNZZYCSHGRI-UHFFFAOYSA-N 365.502 4.423 0 40 FIAB COc1cc(C)cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1O 106902843 IRLXGZLGWHYJCJ-UHFFFAOYSA-N 362.429 4.120 0 40 FIAB O=C(COc1ccccc1Cl)NCCSCc1cccc(Cl)c1 218845763 RKRJYVSTUDXBRF-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCN(C)c1ccccc1 222975501 ULGFPFFWPWYJOQ-FQEVSTJZSA-N 354.494 4.104 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1C 223243670 PBLRZNPRAKJYGI-GOSISDBHSA-N 361.507 4.378 0 40 FIAB Cc1ccc(OCCCC(=O)NCCOc2ccccc2C(C)C)cc1 223776453 HXPGAISJGNYBBJ-UHFFFAOYSA-N 355.478 4.473 0 40 FIAB O=C(C1CCCC1)N1CC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257269221 MPCCESVZWSEWRH-MRXNPFEDSA-N 358.869 4.425 0 40 FIAB COCCn1c(Cc2ccccc2)nnc1SCc1cccc(C)c1 409103607 CRLBOIHQFQETMP-UHFFFAOYSA-N 353.491 4.116 0 40 FIAB COC(=O)c1ccc(C(=O)NCCc2ccc(-c3ccsc3)s2)cc1 575413985 CKMLCTAWHXOMDT-UHFFFAOYSA-N 371.483 4.236 0 40 FIAB Cc1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)n1[C@@H]1CCOC1 624720596 WMIZTCLCEBCIKU-CYBMUJFWSA-N 370.346 4.477 0 40 FIAB Cc1ccc(C)c2c(C)c(C(=O)N(C)[C@H]3CCO[C@@H]3c3cccnc3)oc12 671534398 CCLQFEORXUFAOE-LAUBAEHRSA-N 364.445 4.355 0 40 FIAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1coc2cc(O)ccc12 1587849197 ZQZBUKUYFOEMNS-UHFFFAOYSA-N 365.307 4.309 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)CC(F)(F)F)CN1c1ccc(F)cc1 2037988989 QHWCWXUQEARAOI-KRWDZBQOSA-N 358.379 4.128 0 40 FIAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1 853063 IBFKTUXGPUONQZ-UJKMTWAASA-N 351.405 4.083 0 40 FIAB biogenic O[C@H](COc1ccccc1)Cn1c(Cc2ccccc2)nc2ccccc21 888788 MJPOHCKLZXQSKQ-IBGZPJMESA-N 358.441 4.067 0 40 FIAB CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1O 1006557 YXJCINAHCNNWMF-UHFFFAOYSA-N 354.189 4.128 0 40 FIAB CCCC(=O)Nc1cc(OC)c(NC(=O)c2cccc(C)c2)cc1OC 1324304 OFFSVYGLJKPCDO-UHFFFAOYSA-N 356.422 4.003 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1C 2698852 DOCAZZHNSAXHEG-UHFFFAOYSA-N 374.366 4.464 0 40 FIAB Fc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 2914598 FMENOEMEXAGYRR-JKSUJKDBSA-N 373.229 4.326 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1ccc(F)cc1 3280441 NGHSVUABTVZLEJ-OUKQBFOZSA-N 350.393 4.385 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1c(Cl)cccc1Cl 3282872 RCHRASNZAMQJHJ-NSHDSACASA-N 364.228 4.128 0 40 FIAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(C)cc3)o2)cc1 3458852 PCLPVLRPUILLGR-CYBMUJFWSA-N 369.446 4.173 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(F)cc2Br)c(C)c1 3510489 KYJFHXPZOPUVRF-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB O=C(CCCc1ccccc1)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 4189763 GPWDVJLXAABBSV-CRAIPNDOSA-N 368.399 4.039 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C2CC2)cc1 4732712 WZPWWKSFDDGUIE-SFTDATJTSA-N 372.472 4.372 0 40 FIAB CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C(=O)OC)c3ccccc3)c12 4747479 ZWAZOABOJOZVQQ-OAQYLSRUSA-N 366.413 4.347 0 40 FIAB C[C@@H](CN1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1 4899235 JNEYXKOAZVGKBG-IBGZPJMESA-N 351.490 4.410 0 40 FIAB O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1C1CCCCC1 4906023 OMPAGQPTBAWJTF-UHFFFAOYSA-N 368.864 4.370 0 40 FIAB Fc1cccc(Cl)c1CSc1nnc2ccc(-c3ccco3)nn12 5168214 SQWVRQVODOPQHV-UHFFFAOYSA-N 360.801 4.469 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Oc2ccccc2Br)c(C)c1 5234998 PZKHLGQZYVFWFV-UHFFFAOYSA-N 355.253 4.142 0 40 FIAB CCn1c(SCC(=O)N(C)Cc2ccc(C)cc2C)nc2ccccc21 5270463 FGBAIKFYXIRMKS-UHFFFAOYSA-N 367.518 4.424 0 40 FIAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)cc1 5292637 HZWIECOURQZQOD-INIZCTEOSA-N 366.795 4.011 0 40 FIAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccccc1C(F)(F)F 5441203 NQFXGXPFRFKDLY-UHFFFAOYSA-N 362.351 4.475 0 40 FIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccccc1C(F)(F)F 5441625 USDRKXJSAHCTJS-UHFFFAOYSA-N 362.351 4.475 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 5597030 CZOKFMKTUPKMFK-OAHLLOKOSA-N 371.433 4.058 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)CSc1ccc2ccccc2n1 5627384 MBWLAYINWSFOSS-MRXNPFEDSA-N 350.487 4.464 0 40 FIAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cccc(Cl)c1 5637787 HJBOOCRMSFNGBF-UHFFFAOYSA-N 365.260 4.403 0 40 FIAB Cc1nc(NCCCN2CCCC2=O)c2cc(-c3ccccc3)sc2n1 5862092 DYZVPMUTVZZQMY-UHFFFAOYSA-N 366.490 4.091 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)CCSc1ccccc1 5991286 WGBCLTRGMBVTNN-UHFFFAOYSA-N 357.475 4.474 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 6049480 DFVOTBNFIWTOAG-QFBILLFUSA-N 367.445 4.331 0 40 FIAB CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 6087443 OKNYKUNCWXJESM-UHFFFAOYSA-N 373.261 4.143 0 40 FIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2C)n(-c2ccccc2)n1 6189114 MMJBLVBWALYJMG-UHFFFAOYSA-N 355.825 4.160 0 40 FIAB O=C(NCCc1c[nH]c2ccc(F)cc12)NC12CC3CC(CC(C3)C1)C2 6779904 GUIXFYABLPXYEQ-UHFFFAOYSA-N 355.457 4.118 0 40 FIAB CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc2ccccc21 6929813 MOVVBDXDEQIMHE-GOSISDBHSA-N 351.475 4.168 0 40 FIAB COc1ccc(C)cc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 7774579 ZKQZNIIORXRCOA-UHFFFAOYSA-N 363.339 4.011 0 40 FIAB COc1cc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)cc(OC)c1 7970002 XFOZBRZJVXUNHE-UHFFFAOYSA-N 361.612 4.311 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1F 8495072 HNAOPKUKORORCA-GOSISDBHSA-N 372.440 4.152 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1 8704539 GNLZGVHBJSZJJZ-MRXNPFEDSA-N 359.425 4.417 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 8959796 UIPVSWOAAXZODI-UHFFFAOYSA-N 360.498 4.469 0 40 FIAB CCCCc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1 9064044 NWXJHMPLUXKZHO-UHFFFAOYSA-N 356.491 4.473 0 40 FIAB Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c2c1[C@H](C)CC2=O 11052825 QKFHOTSWDQLZKS-KGLIPLIRSA-N 355.409 4.080 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C 11613726 PUDVAHSGKSUTRE-UHFFFAOYSA-N 353.871 4.465 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCC2)nc1 12972701 DSCKXZNNMMOZIG-UHFFFAOYSA-N 350.249 4.170 0 40 FIAB CN(CCOc1ccc(F)cc1)C(=O)c1csc(-c2ccsc2)n1 13005935 HINKTAXQKFURND-UHFFFAOYSA-N 362.451 4.162 0 40 FIAB COC(=O)c1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1 13022923 WAQORYYGXDTGIT-UHFFFAOYSA-N 354.431 4.044 0 40 FIAB O=C(CN(Cc1ccco1)C(=O)/C=C/c1cccs1)Nc1ccccc1 14015135 FOXNPEQHNMVWJV-ZHACJKMWSA-N 366.442 4.022 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 14401857 PXPHBJSDEVEOSG-UHFFFAOYSA-N 368.477 4.275 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2C)cc1 15300646 OYFFPOCBRQYALS-LAUBAEHRSA-N 352.478 4.018 0 40 FIAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(CC3CC3)CC[C@@H]21 19368994 KLVFPUGROYMSAK-ACRUOGEOSA-N 366.530 4.088 0 40 FIAB Cc1cc(C)n([C@@H](C)Cn2cncc2-c2cnc(N3CCCCC3)s2)n1 19719446 PZAYBAWMFDCEJO-INIZCTEOSA-N 370.526 4.071 0 40 FIAB CCC[C@H](O)c1cc2c(cc1NC(=O)c1ccccc1Cl)OCCO2 20096398 YLXILKFOINPIMY-INIZCTEOSA-N 361.825 4.197 0 40 FIAB CN(C)CCNCC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 20573261 OMVACMSEFZLKAW-PKOBYXMFSA-N 366.977 4.245 0 40 FIAB CCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 21595097 YUWLJCINOICWEP-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(Cl)cc1 22073038 ACLZQQOBORROCE-UHFFFAOYSA-N 367.836 4.417 0 40 FIAB Cc1ccc(S(C)(=O)=O)cc1NCc1cc2ccccc2nc1Cl 23627070 SKKUUPGMTQAVGD-UHFFFAOYSA-N 360.866 4.212 0 40 FIAB O=C(c1cc(-c2cccs2)on1)N1CCC(Cc2ccccc2)CC1 24426297 JACBIXGSTMQZQR-UHFFFAOYSA-N 352.459 4.498 0 40 FIAB CNc1nc(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2ccccc12 24600488 NAEIOLSQMCGGLK-GFCCVEGCSA-N 353.447 4.044 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3cccs3)N(C)C)sc2n1 25385555 KTENCZJAONZQCV-AWEZNQCLSA-N 373.547 4.316 0 40 FIAB C[C@H](Oc1ccccc1F)C(=O)NCCc1csc(-c2ccccc2)n1 27993556 NETSQEBNLKCGMR-AWEZNQCLSA-N 370.449 4.075 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21 29701345 ZBXQJUDGXUEWEG-UHFFFAOYSA-N 363.446 4.388 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)C2(c3ccccc3)CCCC2)c1 32415293 IVWYKRATDKMLPI-MRXNPFEDSA-N 353.462 4.393 0 40 FIAB CCN1C/C(=C/c2cccc(F)c2)c2nc3ccccc3c(C(=O)O)c2C1 33466834 MPFXSTBXNRRVKA-GDNBJRDFSA-N 362.404 4.448 0 40 FIAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(C)c1O 33725638 SJSOTQRWCBOKKP-SXGWCWSVSA-N 357.406 4.385 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cnn(-c3ccccc3C)c2C)cc1F 40073821 FDJJVKNKLCLLHG-CQSZACIVSA-N 367.424 4.128 0 40 FIAB Cc1nc2cc(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc2o1 43936976 XFUDZOMPKSTYFW-HNNXBMFYSA-N 361.442 4.014 0 40 FIAB CC(C)[C@H](NC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1 44141283 ZGLWSDSCNJDVTQ-FQEVSTJZSA-N 365.477 4.441 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 44506523 XBKOSJUXUZYNSA-HNNXBMFYSA-N 356.491 4.085 0 40 FIAB Cc1ccc(OC(=O)c2c(Cl)nc3ccccn23)c2c1[C@H](C)CC2=O 54732816 JTWFDGRQMKLGQM-LLVKDONJSA-N 354.793 4.205 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1F 58430660 QHSPNPHSOCSVKX-JTQLQIEISA-N 362.455 4.316 0 40 FIAB COc1cc(OC)c(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1Cl 62375850 VTXBNDXDURBAGM-VTXSZYRJSA-N 364.873 4.400 0 40 FIAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@@H]1c1cccc(F)c1 71818357 XGZXYNNQTOPMLI-OGECGYFKSA-N 361.420 4.388 0 40 FIAB C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1Br 72230401 IMEOVYZVXAFKKC-GFCCVEGCSA-N 360.317 4.010 0 40 FIAB COc1cccc(-c2cc(Cl)nc(-c3ccc(OC)c(OC)c3)n2)c1 78401309 XHCKCTDJPMNLEO-UHFFFAOYSA-N 356.809 4.490 0 40 FIAB Cc1ccc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)cc1 95116388 FFHTYJFZCOZOGG-UHFFFAOYSA-N 370.503 4.277 0 40 FIAB O=C(OC1[C@H]2CC[C@H]1[C@@H]1CN(CCc3ccccc3)C[C@H]21)c1ccccc1 100572200 MWVAYBRVMWOVBX-UVLSKBLNSA-N 361.485 4.043 0 40 FIAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)c1 101277104 JBPCWJYKRCBRFQ-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB O=c1c2ccccc2c2c(O)nc(-c3cccs3)n2n1Cc1ccccc1 102459275 YGDUBTOMQWLFMP-UHFFFAOYSA-N 373.437 4.132 0 40 FIAB CCc1nc([C@H](C)NC(=O)N(C)Cc2ccccc2N2CCCC2)cs1 111527972 CXBQTRFBDGTYGR-HNNXBMFYSA-N 372.538 4.208 0 40 FIAB O=C(C(=O)N1CCS[C@@H](c2ccccc2)CC1)c1c[nH]c2ccccc12 206986960 OYWNOSAGJBCXIJ-LJQANCHMSA-N 364.470 4.057 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222796627 NIQMVCOISUZWGF-MOPGFXCFSA-N 366.465 4.004 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1)c1ccc(OC)c(OC)c1 222868161 WGARSZHGISTKLB-ZWKOTPCHSA-N 357.450 4.129 0 40 FIAB Cc1cnc(-c2cccc(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)s1 257267832 MIYDNLSHNVBZGB-CQSZACIVSA-N 359.495 4.313 0 40 FIAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NCc2cccnc2)c1Cl 408621148 JYCFPRNUIVDMGW-UHFFFAOYSA-N 373.667 4.354 0 40 FIAB COc1cccc(C[C@H]2CCCN2C(=O)Nc2cnn(CC(C)C)c2C)c1 536580191 NEZISDOZMDJWPP-GOSISDBHSA-N 370.497 4.095 0 40 FIAB COc1ccc(CCC(=O)NCc2nc(C3CCCCC3)cs2)cc1 575604663 CAHZUOVFUOZIAF-UHFFFAOYSA-N 358.507 4.448 0 40 FIAB O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1 614255651 UFLFCLSVGKMRAG-IEBWSBKVSA-N 357.404 4.401 0 40 FIAB O=C(NCC1(c2ccsc2)CCOCC1)c1c(F)cccc1Cl 952987090 QHVRKZPIMLVITO-UHFFFAOYSA-N 353.846 4.019 0 40 FIAB C=CC(=O)Nc1ccc(C(=O)N2CCCSC[C@@H]2c2ccccc2)cc1 1176163858 NULDNVHPQZOODQ-LJQANCHMSA-N 366.486 4.132 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1cccc(C(C)C)c1 11869428 VRNCSYKAWJBFLO-UHFFFAOYSA-N 361.445 4.434 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)cc1 1049828 BYHQXDLJEJHIPC-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB Cc1ccc(CN(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 1330253 AFJAREDOWKZLIE-UHFFFAOYSA-N 370.518 4.066 0 40 FIAB CCCOC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 1608961 YIJFXZVKHONBBE-UHFFFAOYSA-N 369.505 4.242 0 40 FIAB COC(=O)c1cnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1 32494502 NDCSDBOMNWBNLC-UHFFFAOYSA-N 362.794 4.095 0 40 FIAB CN(C)c1cccc(C(=O)Nc2nc(COc3ccccc3)cs2)c1 3226603 GRDVVHBLOQVMHT-UHFFFAOYSA-N 353.447 4.040 0 40 FIAB CC[C@@H](OC[C@H](O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 4264068 GUYVJQTTYAHQEU-DNQXCXABSA-N 367.533 4.470 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1cccc(C)c1 6243384 ZCINXQQFCYTKIL-HNNXBMFYSA-N 356.491 4.401 0 40 FIAB O=C(/C=C/c1ccco1)NC(=S)Nc1nc2ccc(Cl)cc2s1 6883752 VDVILISKPVDOGR-GQCTYLIASA-N 363.851 4.069 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 6961996 UPTKEDFSPALXTB-WOJGMQOQSA-N 364.426 4.193 0 40 FIAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc2ccccc2o1 32817133 MSFVZTNIZJSZCV-UHFFFAOYSA-N 369.442 4.401 0 40 FIAB CN(C)C[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 7816572 DSZMUIFDJFNZQA-DXRVJIQQSA-N 362.395 4.138 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)o1 32962377 DVCXTOPDBUBNME-UHFFFAOYSA-N 354.406 4.044 0 40 FIAB CC1(C)COc2ccc(NC(=O)c3c(F)cccc3Cl)cc2NC1=O 8959863 ANUQSINDVWTJEY-UHFFFAOYSA-N 362.788 4.089 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1oc2ccccc2c1C 59315717 VYVWXBWSOXFHJV-AWEZNQCLSA-N 371.458 4.026 0 40 FIAB O=C(Nc1cccc(Cl)c1)NC1(C(F)(F)F)Oc2ccccc2O1 2725246 KHMCMEGABKHNNT-UHFFFAOYSA-N 358.703 4.149 0 40 FIAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccc3cn[nH]c23)cn1 42073155 IETJDRNEFWIULQ-UHFFFAOYSA-N 374.400 4.320 0 40 FIAB CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 22703918 LHVWHICIORQWOM-UHFFFAOYSA-N 352.434 4.437 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20137598 WAZYYVXGSYFVHS-UHFFFAOYSA-N 351.402 4.262 0 40 FIAB O=C(Nc1nc(C2CC2)cs1)c1cnn(Cc2ccccc2Cl)c1 25563149 KXWJCHWNDRRCLU-UHFFFAOYSA-N 358.854 4.171 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102794511 PMFUBIXVSYKVSG-YWTNHNAXSA-N 369.509 4.177 0 40 FIAB S=c1n(CN2CCc3ccccc3C2)nc2sc3ccccc3n12 12557462 UFQRGYKRCHCODV-UHFFFAOYSA-N 352.488 4.096 0 40 FIAB COc1ccccc1OCCSc1nnc2sc3ccccc3n12 2192150 UQRFZYHPAHXBKB-UHFFFAOYSA-N 357.460 4.124 0 40 FIAB O=C(c1ccccc1Cc1ccccc1)N1CCO[C@@H](c2ccccc2)C1 27913396 IUZIPEOXMZIYSE-HSZRJFAPSA-N 357.453 4.491 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)Cc2cccc3ccccc23)c(C)c1 2224933 UKBKTRCFKZNOBM-UHFFFAOYSA-N 361.441 4.489 0 40 FIAB Nn1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 2263621 WYHRWSPEWNULKT-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1 2231962 SOVMSEIULMUHQT-UHFFFAOYSA-N 374.425 4.017 0 40 FIAB Cc1ccc(-c2nc(=S)c3c(n2CCCN(C)C)CC(C)(C)OC3)cc1 2384996 MRWZYIUQCLDCPT-UHFFFAOYSA-N 371.550 4.391 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc2ccccc2c1)c1ccccc1 12612234 FNIZFBQKRHEVOZ-ZHRRBRCNSA-N 360.457 4.285 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(F)cc2)CC1 2442076 ZLFWSNGFXUMISR-UHFFFAOYSA-N 363.889 4.307 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 11361655 ATRICMSCTCMNDC-UHFFFAOYSA-N 354.793 4.367 0 40 FIAB Fc1ccccc1NC(=S)NNc1ncnc2sc3c(c12)CCCC3 3332289 DPVSOUWXLLCYQQ-UHFFFAOYSA-N 373.482 4.023 0 40 FIAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2nnnn2C2CC2)cc1 8229758 PWMRNYBZUDQHCA-UHFFFAOYSA-N 374.473 4.153 0 40 FIAB CC(C)c1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21 12893021 SUDNPXFNCDDHHA-UHFFFAOYSA-N 354.475 4.278 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc(OCC)c(OC)c1)O[C@H](C)C2 12995555 LPHKKYBUDSVZHN-CYBMUJFWSA-N 371.433 4.068 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 12920129 BHEULMUQGJDDHM-UHFFFAOYSA-N 366.392 4.071 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 22526727 FAOZGSOFPFNMLS-MRXNPFEDSA-N 355.434 4.113 0 40 FIAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 408737388 OCWOFOFGZPREDY-HKWRFOASSA-N 369.376 4.250 0 40 FIAB CCOc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1OC 14253005 UZDZXMJVWGPPEW-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 6586331 JLGOZZPAEZVDPG-CALCHBBNSA-N 367.445 4.425 0 40 FIAB O=C(OCc1nccn1C(F)F)c1ccc2noc(-c3ccccc3)c2c1 8706419 RNQZLZZDOMFJHU-UHFFFAOYSA-N 369.327 4.443 0 40 FIAB Cc1ccccc1Cn1ccc(NC(=O)COc2ccc(Cl)cc2C)n1 28225083 BKIYMPHTOKNSNJ-UHFFFAOYSA-N 369.852 4.219 0 40 FIAB Cc1sc2ncnc(Sc3nnc(-c4ccccc4)n3C)c2c1C 8762301 BMJNNFRXOYVFBD-UHFFFAOYSA-N 353.476 4.255 0 40 FIAB CCOc1ccc2nc(NC(=O)NCc3cc4ccccc4[nH]3)sc2c1 27642593 IOBLGSQCXZKJHJ-UHFFFAOYSA-N 366.446 4.498 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)C 20490422 FWAPNZFZMVXIGZ-INIZCTEOSA-N 368.477 4.041 0 40 FIAB Cc1c(OCC(F)(F)F)ccnc1CSc1nc2cccc(O)c2[nH]1 65742915 OQGIYDJVVFOGGO-UHFFFAOYSA-N 369.368 4.205 0 40 FIAB in-vitro Cc1ccc2oc(C(=O)/N=c3/[nH]c4ccc(Cl)cc4s3)cc(=O)c2c1 9348916 ZGGBAIKVDTVUKS-UHFFFAOYSA-N 370.817 4.039 0 40 FIAB O=C(NC1CCCCCC1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 71912807 RZGLPUKIYWPMGV-HXUWFJFHSA-N 366.509 4.331 0 40 FIAB CN(C)C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 96997356 KSEJGYKHLHOGMF-MRXNPFEDSA-N 352.265 4.418 0 40 FIAB O=C(c1ccc2c(c1)CCCC2)N(C[C@H](O)c1ccc(F)cc1)C1CC1 84392909 PGQKPGQLEUZNOH-NRFANRHFSA-N 353.437 4.043 0 40 FIAB O=C(N[C@H]1CCOC1)c1oc2ccccc2c1CSc1cccs1 95973246 IQRDGHLGRVTRCZ-LBPRGKRZSA-N 359.472 4.305 0 40 FIAB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(C)=O)c3)nc2c1 21596463 ZORZWHFFTRMLCT-UHFFFAOYSA-N 353.447 4.199 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1ccc(OC)c(OC)c1 20109164 OKGHOCWCPPJMPJ-UHFFFAOYSA-N 367.854 4.097 0 40 FIAB O=C(Cc1ccc(NC(=O)Nc2cccs2)cc1)NCc1cccs1 38716152 DEKZHJPZZFDBHZ-UHFFFAOYSA-N 371.487 4.313 0 40 FIAB CCSc1ccccc1C(=O)NCc1nc(-c2ccccc2Cl)no1 219651762 JKQXHHPUUSCLQB-UHFFFAOYSA-N 373.865 4.432 0 40 FIAB Cc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38848702 XDQWHJITONPMHJ-LJQANCHMSA-N 356.897 4.177 0 40 FIAB Cc1ccc(OCCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 72369843 CFLULRNHYUYSRU-IBGZPJMESA-N 363.461 4.303 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 39536311 PWICXMKKZCPBGV-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB O=C(CCCc1nc(-c2cccs2)no1)N1CCCc2ccccc21 31662679 NKFKJEUXOALXJM-UHFFFAOYSA-N 353.447 4.100 0 40 FIAB Cc1cc(C(=O)N2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)c(C)o1 38904700 KUUYCXKSZDWZFE-UHFFFAOYSA-N 369.396 4.105 0 40 FIAB CSc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30938078 XYGOVBFAQAYTLB-INIZCTEOSA-N 358.482 4.398 0 40 FIAB Cc1ccc2c(CC(=O)NCC(=O)Nc3ccc(Cl)cc3)coc2c1C 72427717 MJRHMRLRZGGQQV-UHFFFAOYSA-N 370.836 4.000 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1 224260677 RRQPUDFRCZSTDM-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(Cl)cc1Cl 225750147 GUPLBLQNLWRJKB-UHFFFAOYSA-N 365.191 4.086 0 40 FIAB CCc1ccc(OCCNC(=O)CSCc2cc(C)cc(C)c2)cc1 223401598 NCNLZIXKMMKDOU-UHFFFAOYSA-N 357.519 4.294 0 40 FIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225796726 DNZNJJBRRQIGLG-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB O=C(O)C[C@@H](NC(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl 225232524 VQXYSICOYPZBTD-CQSZACIVSA-N 369.273 4.496 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 224989234 VOQYVBICIBSCEH-QGZVFWFLSA-N 366.933 4.268 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)s1 224306978 CNKBTRWYAUIXGJ-SNVBAGLBSA-N 357.888 4.100 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)c1 225577869 RHDLKNLIGPJZOZ-INIZCTEOSA-N 370.474 4.062 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 224012318 GYVZVBZSRWPAPN-GFCCVEGCSA-N 371.308 4.179 0 40 FIAB O=C(NCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 48816947 GLGPUOMEGXEGEI-UHFFFAOYSA-N 358.157 4.398 0 40 FIAB CSc1ccc(C(=O)OC2CN(c3nc4ccccc4s3)C2)cc1 75166603 UXBTZYYSLLTYGZ-UHFFFAOYSA-N 356.472 4.064 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCC(=O)c1cccs1 40017187 RKVOGOJAWFHIDI-UHFFFAOYSA-N 353.447 4.152 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224168959 LVFYDSYOWMHXNK-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CC(C)NC(=O)Nc1ccc(CNCc2cccc(OC(F)F)c2)cc1 57965750 DNPVEKBBYHXKRS-UHFFFAOYSA-N 363.408 4.108 0 40 FIAB Cc1nccn1-c1ccnc(C(=O)Nc2ccc(Oc3ccccc3)nc2)c1 69419744 ACLJCUFBCIYEHK-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)CCc2ccco2)CN1c1cccc(F)c1 1615123238 SGAROIOZNQLNCU-QFIPXVFZSA-N 370.468 4.401 0 40 FIAB CCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12241398 MZYBBULTZZYWHO-UHFFFAOYSA-N 371.506 4.118 0 40 FIAB COC(=O)Cn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21 13570033 SMHCUENQAPLUOE-UHFFFAOYSA-N 356.425 4.390 0 40 FIAB O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(C1CCCC1)CC2 19744838 IOLSCUOFKQMSTJ-UHFFFAOYSA-N 356.485 4.139 0 40 FIAB O=C(N1CCS[C@@H](c2ccco2)CC1)C1(c2ccccc2)CCOCC1 219401793 NBDYCHROJJVZFD-LJQANCHMSA-N 371.502 4.035 0 40 FIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1C 3329651 XZAVFXHKHIWRDC-UHFFFAOYSA-N 355.406 4.322 0 40 FIAB CCN(C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 7141084 SQAOGBHHMLXHJC-UHFFFAOYSA-N 373.452 4.492 0 40 FIAB COC1CN(c2ccc(NC(=O)CCc3ccc(Cl)c(C)c3)cc2)C1 253407429 WJLGRTLYCHGVQX-UHFFFAOYSA-N 358.869 4.055 0 40 FIAB COCCn1cc(NC(=O)NCCCc2ccccc2)c2ccccc21 5266429 JMKPOUHEKNYLLP-UHFFFAOYSA-N 351.450 4.042 0 40 FIAB O=C(O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 8769040 OSZXEGLMFGZWQS-UHFFFAOYSA-N 357.369 4.180 0 40 FIAB CCOc1ccc(CC(=O)NCc2cncc(-c3ccsc3)c2)cc1 206943728 ATBPYLORWOLUAR-UHFFFAOYSA-N 352.459 4.068 0 40 FIAB O=C(OC1CCCCC1)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140123 DBRVBSDRYSRUSX-UHFFFAOYSA-N 358.459 4.150 0 40 FIAB CC1CCN(C(=O)C2CCN(Cc3cccc4ccccc34)CC2)CC1 778800 WERSEXWWUGQQMK-UHFFFAOYSA-N 350.506 4.310 0 40 FIAB Cc1ccccc1OC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 991719 DLQJTACHKYCWKY-UHFFFAOYSA-N 357.365 4.015 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1c(F)c(F)cc(F)c1F 1002035 SWWZVMPIMFRZIS-VIFPVBQESA-N 357.303 4.048 0 40 FIAB O=C(O[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1)c1cccs1 1381187 QZEBLLMRUYFVJH-MRXNPFEDSA-N 363.866 4.358 0 40 FIAB Cc1ccc(NC(=O)Nc2snnc2C(=O)Nc2ccccc2C)cc1 1416797 FCZWTPVHBQRDTJ-UHFFFAOYSA-N 367.434 4.051 0 40 FIAB CCCCCCc1cc(-c2cc(CCCCCC)nc(N)n2)nc(N)n1 1588444 UFAWDEANLSVRAS-UHFFFAOYSA-N 356.518 4.344 0 40 FIAB CO[P@](=O)(Oc1ccccc1C(=O)Oc1ccccc1)c1ccccc1 2308822 NJDDDXWCXISAHI-SANMLTNESA-N 368.325 4.450 0 40 FIAB CCOC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 3311188 UUNIJLAMUNSZLJ-UHFFFAOYSA-N 354.840 4.260 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c1C 3320934 HASXBCNPIWZHTP-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 3331237 VEDAVUSTISSNHS-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NC1CC1 3383989 MCAXLKIKRXOUPJ-UHFFFAOYSA-N 363.244 4.067 0 40 FIAB CCOc1ccccc1OCCCC(=O)N[C@H]1CCCc2ccccc21 3387745 QYTWLGTVVWRJKL-IBGZPJMESA-N 353.462 4.438 0 40 FIAB Cc1ccc(CNC(=O)CCCOc2ccc(Br)cc2)cc1 3554456 VHMOWVDZAWUKSO-UHFFFAOYSA-N 362.267 4.233 0 40 FIAB Cc1nc(SCC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 4221290 IRQFUDRJSJZMAR-SFHVURJKSA-N 363.486 4.224 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ncoc1-c1ccc2ccccc2c1 5002069 DHFXNTCYOLTAHV-UHFFFAOYSA-N 358.353 4.476 0 40 FIAB Cc1ccccc1NC(=O)Cc1nc(CSc2ccccn2)cs1 5635754 OJSCJPNFWLVTLL-UHFFFAOYSA-N 355.488 4.320 0 40 FIAB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccn1 5692599 IDAIYOMEDAHTLP-UHFFFAOYSA-N 356.381 4.270 0 40 FIAB CCCCC(=O)NC(=S)Nc1cc(NC(=O)CCC)ccc1Cl 6263939 NITHKTMULNPQHS-UHFFFAOYSA-N 355.891 4.082 0 40 FIAB CC(=O)c1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 6298059 KDXUQDDNAOMFGN-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 6429982 XYZRKXZNHTWEBD-UHFFFAOYSA-N 365.385 4.288 0 40 FIAB Cc1occc1-c1nnc(SCc2ncc(-c3ccccc3)o2)n1C 6541519 CLEMLTLDCVQVQZ-UHFFFAOYSA-N 352.419 4.331 0 40 FIAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 6657352 NMIASAMFUIYZRJ-XNTDXEJSSA-N 357.387 4.091 0 40 FIAB CCCOc1ccc(OCCSc2nc(-c3ccccc3)n[nH]2)cc1 7472442 HFUQZQUUWUKSED-UHFFFAOYSA-N 355.463 4.432 0 40 FIAB O=C(c1ccccc1F)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7596575 JWHMFNMOKBMUNI-UHFFFAOYSA-N 371.799 4.334 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 7983528 JXERNNQSGCWPHB-JTQLQIEISA-N 372.416 4.078 0 40 FIAB Cc1ccc(C)n1-c1sccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 7988374 CPRFLVFFCPRAIF-UHFFFAOYSA-N 368.458 4.157 0 40 FIAB CSCc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 8077095 WKGRRSANUXPILP-UHFFFAOYSA-N 360.910 4.165 0 40 FIAB O=C(NCC1(c2ccccc2)CC1)c1ccc(C(=O)c2ccccc2)cc1 8724035 RDQAZOAQZQEACU-UHFFFAOYSA-N 355.437 4.379 0 40 FIAB O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 9303787 UVYNHKFQITYSOM-UHFFFAOYSA-N 362.473 4.465 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 9313501 SGAZSWJFWPOGNV-CQSZACIVSA-N 352.463 4.005 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccsc2)n1 9385108 WRELZPPBPILJNW-UHFFFAOYSA-N 373.459 4.091 0 40 FIAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)c1ccccc1 9479831 DWVFHNNJSTWAEP-GFCCVEGCSA-N 357.866 4.499 0 40 FIAB Cc1ccc2c(c1)S[C@@H](C(=O)N[C@@H](C)c1ccc(-n3ccnc3)cc1)C2 12550363 TXNDKEWOBFZYFT-MGPUTAFESA-N 363.486 4.075 0 40 FIAB O=c1cc(CSCc2cccc(C(F)(F)F)c2)nc2sccn12 12817594 SPQXKCKVXOIPDC-UHFFFAOYSA-N 356.394 4.208 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1ccccc1 13038713 IPUQMDURKKONSI-CYBMUJFWSA-N 351.277 4.303 0 40 FIAB Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccnc1 13496042 GWCKQIKEPUXCCF-UHFFFAOYSA-N 372.837 4.005 0 40 FIAB CSc1ccccc1NC(=O)C(=O)NCC1(c2cccs2)CCCC1 13804216 GMRCVNBNIHRRKX-UHFFFAOYSA-N 374.531 4.037 0 40 FIAB COc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 14220720 UZOWHNHUNMQYOT-JTQLQIEISA-N 360.262 4.042 0 40 FIAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)sc2ccccc12 15423414 IJQMOOJEPNNUIF-UHFFFAOYSA-N 352.459 4.299 0 40 FIAB C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1 15525545 TUPJCMASKBDGJQ-ZDUSSCGKSA-N 356.422 4.352 0 40 FIAB CCOc1ccccc1C(=O)NCc1csc(-c2ccc(OC)cc2)n1 15832758 KSUSYRMOLAFZJD-UHFFFAOYSA-N 368.458 4.147 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c(C)c1 15883238 ZQIINWXGIBXJBT-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1ccccc1 16850355 DAPBGVBTASJOPD-UHFFFAOYSA-N 357.866 4.399 0 40 FIAB C[C@@H](NC(=O)Cc1ccc2[nH]cnc2c1)c1cc2cc(Cl)ccc2o1 19458573 PGOUYWRYNXZZAX-LLVKDONJSA-N 353.809 4.382 0 40 FIAB CC(=O)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688134 OGLKBCAIOXKVRY-KRWDZBQOSA-N 362.395 4.417 0 40 FIAB Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(Cl)s1)CC3 19796834 KLILIKFFTUINKZ-UHFFFAOYSA-N 364.879 4.010 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl 20142391 SCUYGMHUSUKUMF-UHFFFAOYSA-N 354.189 4.343 0 40 FIAB O=C(CCc1ccc2ccccc2n1)OCC(=O)c1ccc(Cl)s1 21431985 JYKGHNKXBKBYAR-UHFFFAOYSA-N 359.834 4.308 0 40 FIAB CCN(CC)CCn1c(NC(=O)c2sccc2C)nc2ccccc21 22284927 LJLYIZACGDDCQE-UHFFFAOYSA-N 356.495 4.000 0 40 FIAB CC(=O)Nc1ccc2c(CN[C@H](c3ccccc3)C(C)C)cc(=O)oc2c1 29189381 SZKFXBAZICPVTP-QFIPXVFZSA-N 364.445 4.238 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)cc1 32833935 HEPKQKXIBKDJNQ-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C 33144902 ITGYZSMYOMLAKT-UHFFFAOYSA-N 356.403 4.059 0 40 FIAB Cc1cc(C)c2c(CC(=O)N3CCN(c4ccc(F)cc4)CC3)coc2c1 39881787 UWRPXELSTUBVDG-UHFFFAOYSA-N 366.436 4.080 0 40 FIAB C[C@@H](NC(=O)CN1CCC[C@H](C(F)(F)F)C1)c1ccc2c(c1)CCCC2 39985842 WTLJONSCQMTXQQ-KDOFPFPSSA-N 368.443 4.017 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 44837244 WCUKKAAIZYGSRQ-UHFFFAOYSA-N 356.223 4.400 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)c2sc(-c3cccs3)nc2C)on1 47287844 LVHHQANHDHJTOY-GFCCVEGCSA-N 359.476 4.454 0 40 FIAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCCCc2ccccc21 49726573 GHYCDOOFVVLDJD-UHFFFAOYSA-N 353.447 4.100 0 40 FIAB COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3cccnc3)no2)cc1 54612785 MJUNLEBAGIDSDA-IBGZPJMESA-N 364.449 4.258 0 40 FIAB Cc1ccc(CN2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 55393854 MJNXCKDNKVUBJV-UHFFFAOYSA-N 361.441 4.251 0 40 FIAB biogenic CC(C)c1noc([C@H](C)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 56177357 RLWHJDHPDBNLIT-MJBXVCDLSA-N 362.449 4.119 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2NCC(F)(F)F)c1C 58195620 BTRPZHDVLAMNRU-UHFFFAOYSA-N 353.344 4.061 0 40 FIAB Cc1nc(COc2cccc(C(=O)N(C)Cc3ccc(F)cc3)c2)cs1 58381079 XTUSZWMYNXKJJX-UHFFFAOYSA-N 370.449 4.442 0 40 FIAB CSCC[C@@H](NC(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 60602806 UETBLSHVSYABTA-LJQANCHMSA-N 367.518 4.496 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(CC)cc2)cc1 61997308 HYFMOAGEMQXDKE-HXUWFJFHSA-N 350.462 4.055 0 40 FIAB C=Cc1ccc(Cn2c(=O)n(-c3ccccc3C)c(=O)c3sccc32)cc1 67258045 GHSGUKABUBQBKQ-UHFFFAOYSA-N 374.465 4.214 0 40 FIAB CCOc1cccc([C@H](C)NC(=O)c2cc(C)ccc2N2CCCC2)c1 78763291 CFNHSKHRJLUAIW-KRWDZBQOSA-N 352.478 4.485 0 40 FIAB Cc1ccccc1C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471707 NZWDMHJXKKVHOD-UHFFFAOYSA-N 364.367 4.092 0 40 FIAB Cc1cccc(OCCc2nnc(NC(=S)Nc3ccccc3)s2)c1 95116376 NBGYZYPLHXZMRJ-UHFFFAOYSA-N 370.503 4.277 0 40 FIAB CO[C@](C)(CNC(=O)Nc1c(F)cccc1F)c1cccc(Cl)c1 96393264 KGIJPDSSXNFIAH-QGZVFWFLSA-N 354.784 4.302 0 40 FIAB CC(C)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 113948610 ZVSYTXLVMJYSCV-UHFFFAOYSA-N 366.870 4.087 0 40 FIAB CCOCCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 216248496 ULNWGONDUMRRIR-UHFFFAOYSA-N 359.491 4.014 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 222794419 AZFJQYHAAHZOGV-OALUTQOASA-N 354.523 4.381 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 222880897 BDGKAYVOKQRDRS-FQEVSTJZSA-N 368.477 4.183 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)Nc1ccc(Cc2ccncc2)cc1 224172519 XTHNFHVFYNBJKM-UHFFFAOYSA-N 372.877 4.268 0 40 FIAB S=C(NC[C@@H]1CCCO1)Nc1ccc(CSc2ccccc2)cc1 225318473 MGWWPWHBKWGEBA-KRWDZBQOSA-N 358.532 4.444 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225850143 UPPVCHIKFPQFBK-BEFAXECRSA-N 357.450 4.047 0 40 FIAB COc1ccccc1[C@H](C)CC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21 529674229 KEVVHZZQOYLNSN-CPBMKBPJSA-N 355.865 4.297 0 40 FIAB CC(C)OC1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1 531419644 QZNIYOKUOWAJRS-UHFFFAOYSA-N 359.495 4.155 0 40 FIAB Cc1ccc(NC(=O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1 571248259 NWWGZNBWXLVGBZ-UHFFFAOYSA-N 367.424 4.093 0 40 FIAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)NC(c1ccccc1)c1ccccc1 585319639 KANAMAZHLMGPSX-YOFSQIOKSA-N 350.462 4.127 0 40 FIAB CC(C)CCN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CCCC1 611820162 QIRCSPMFGGVMRR-UHFFFAOYSA-N 364.921 4.161 0 40 FIAB CCOC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC)CC1 670090217 YFTIWYJNTJMVRX-UHFFFAOYSA-N 369.296 4.277 0 40 FIAB CC(=O)N(Cc1ccccc1Cl)Cc1cc2cccc(C)c2[nH]c1=O 1346774 NLZWOAZMJODPJF-UHFFFAOYSA-N 354.837 4.039 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1)c1ccccc1 1377932 CCCVVZPBMVRSLG-IHWFROFDSA-N 363.461 4.034 0 40 FIAB COC(=O)c1ccc(-n2nc3c(c2-c2ccccc2F)CCCC3)cc1 1386300 LIICGBKUJNYOCY-UHFFFAOYSA-N 350.393 4.344 0 40 FIAB COc1ccc(Oc2nc(Cl)nc(Oc3ccc(OC)cc3)n2)cc1 1657291 CAHLHZJFJMXPBJ-UHFFFAOYSA-N 359.769 4.127 0 40 FIAB CCOC(=O)C(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1 1865263 BUEWCUYRBFZYHM-UHFFFAOYSA-N 367.430 4.055 0 40 FIAB Cc1nn(CCC(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 2126378 QMDLUNXWUGBDBI-FXALBQAHSA-N 369.553 4.305 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 2654477 DUHBPZCZXDNWHM-UHFFFAOYSA-N 360.369 4.317 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)ccc3C)o2)cc1 3527646 LTFBIQBVSBEWHQ-UHFFFAOYSA-N 354.431 4.337 0 40 FIAB Cc1cc2cc(CNC(=O)c3ccc(Br)cc3)ccc2n1C 4061513 WJGVKLBZOJOPDK-UHFFFAOYSA-N 357.251 4.179 0 40 FIAB O=C(O)c1cccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 4669010 HNNBHXOCKBCHSR-OQLLNIDSSA-N 373.817 4.275 0 40 FIAB COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1N1CCCCC1=O 5441468 QOIYQTCOEYRZLT-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1F 5457908 LEMJSIQJSDGPTH-GOSISDBHSA-N 363.388 4.237 0 40 FIAB CCCn1c(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21 5904472 LNQSHLGYPAMECF-UHFFFAOYSA-N 356.809 4.023 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCCSCc1ccco1 6371597 SIMSDFGYDPPAKE-UHFFFAOYSA-N 360.262 4.015 0 40 FIAB O=C1/C(=C/Nc2ccc(O)cc2)c2ccccc2C(=O)N1Cc1ccccc1 6452594 AXGMAVVWBKTMEV-KGENOOAVSA-N 370.408 4.028 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(-n3ccnc3)cc2)N1CC(F)(F)F 7043664 RQKVWKLIECPBCM-QGZVFWFLSA-N 372.350 4.001 0 40 FIAB CC1CCC(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)CC1 7735698 RDSNRFZVYLGQBR-UHFFFAOYSA-N 370.478 4.005 0 40 FIAB COc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccc(Cl)cc2)n1C 8332488 ZOIXWLRSSJSRTR-VZCXRCSSSA-N 372.877 4.465 0 40 FIAB COCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 8469148 KOSCGBVMKXCZEG-UHFFFAOYSA-N 370.276 4.317 0 40 FIAB C[C@H](Oc1ccccc1F)C(=O)N1CCC(c2nc3ccccc3o2)CC1 8673501 ZIPITUTUMRJZCA-AWEZNQCLSA-N 368.408 4.140 0 40 FIAB COc1cc(SC)ccc1C(=O)Nc1ccc(CN2CCCC2)cc1 8708464 WLIQPRMIRJNGMU-UHFFFAOYSA-N 356.491 4.265 0 40 FIAB Cc1nc2ccc(NC(=O)CSc3ncnc4sccc34)cc2s1 8943382 DCUKSZATXFPRGI-UHFFFAOYSA-N 372.500 4.340 0 40 FIAB Cc1ccc(/C=C(\Cl)c2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)cc1 9514591 QIPYTVLNIBXXLD-XFFZJAGNSA-N 360.822 4.037 0 40 FIAB COc1cc([C@H]2C[C@@H]2C(=O)c2nc3ccccc3[nH]2)ccc1OC(F)F 9913661 DMMNFLOLHQIHIS-NEPJUHHUSA-N 358.344 4.159 0 40 FIAB O=C(c1cccnc1O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10236084 CFBLABQKOYOEQG-UHFFFAOYSA-N 373.865 4.070 0 40 FIAB CCC[C@@H](NC(=O)c1nn2c(C)cc(C)nc2c1Cl)c1cccs1 12200057 RRVJJKMKVUNFAZ-GFCCVEGCSA-N 362.886 4.332 0 40 FIAB O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNc1ccc2cn[nH]c2c1 12221828 YNZHJAONPWCPCF-UHFFFAOYSA-N 350.809 4.184 0 40 FIAB CCOc1cc(Nc2ccc(NC(=O)c3cccs3)cc2)nc(C)n1 12225455 DGNFGCRYJFPGMG-UHFFFAOYSA-N 354.435 4.241 0 40 FIAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN32)cc1 12311684 YXXVULQHELFXFJ-IFMALSPDSA-N 357.413 4.333 0 40 FIAB O=C(CSc1c(Cl)cccc1Cl)Nn1cnc2ccccc21 12580371 VLZMVMUKVWTZLY-UHFFFAOYSA-N 352.246 4.206 0 40 FIAB Cc1cccc(C)c1NC(=O)CN1CCC(CCc2ccc(O)cc2)CC1 12805953 VOWZDYOBJGHIEF-UHFFFAOYSA-N 366.505 4.292 0 40 FIAB COc1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)c(OC)c1 13569152 FBIMEQJMGSQNIE-UHFFFAOYSA-N 366.436 4.440 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)cc1 14232424 PZPODBDHJXEIBF-UHFFFAOYSA-N 369.490 4.030 0 40 FIAB COC(=O)c1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1 15452133 NGDYLDWCULIFMM-KRWDZBQOSA-N 352.459 4.420 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)NCCc1ccc(Cl)cc1 15617488 UZKOYMLLYCMKQP-SOFGYWHQSA-N 354.631 4.068 0 40 FIAB COc1cc(C)ccc1CN1CCc2onc(Nc3cccc(F)c3)c2C1 19134095 DSFWZMSEGNZLSS-UHFFFAOYSA-N 367.424 4.433 0 40 FIAB CC(C)c1ccc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 19453238 GLLXPWNXOZROPB-GOSISDBHSA-N 363.465 4.030 0 40 FIAB CCn1c(C(C)C)nc2cc(NC(=O)CCCn3ccnc3C)ccc21 19524249 JKYIYLKXXQOQTM-UHFFFAOYSA-N 353.470 4.103 0 40 FIAB Cc1scc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)c1C 19561865 SRBDAIHDLYEPGK-CYBMUJFWSA-N 373.503 4.496 0 40 FIAB Cc1ncsc1-c1nnc([C@H]2CCCN2Cc2cccc(F)c2F)o1 19563031 DVIQCDRKJQLFKD-CYBMUJFWSA-N 362.405 4.117 0 40 FIAB Cc1ccc(-c2nc(NC(=O)COc3ccc(C(C)C)cc3)no2)cc1 21800573 MHOWDMBGKFIRPZ-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H]1c1ccccc1 23437205 OTGXDTPHZWYOSY-AWEZNQCLSA-N 371.380 4.111 0 40 FIAB COC(=O)c1occc1CSc1nnc(Nc2ccc(F)cc2)s1 25855080 WGESLHWQROYFFP-UHFFFAOYSA-N 365.411 4.093 0 40 FIAB Cc1nc(N2CCC3(CC2)OCCO3)c2c(-c3cccs3)csc2n1 26705166 WEACFNPULDKSCT-UHFFFAOYSA-N 373.503 4.072 0 40 FIAB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(C)Cc1nc2ccccc2s1 27367084 BEOJULNUCRCASJ-QGZVFWFLSA-N 369.490 4.154 0 40 FIAB Cc1ccc(CNC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)cc1 28228732 VYORTKVCFWKEKL-UHFFFAOYSA-N 362.212 4.338 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCCC2)cc1 28291887 IIECWIZMVMLGPE-QFIPXVFZSA-N 366.505 4.431 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1cccc2ccccc12 32674813 ZWJGVTREWSVYRM-HNNXBMFYSA-N 361.441 4.471 0 40 FIAB O=C(CCSCc1cc(Cl)c2c(c1)OCO2)Nc1ccccc1F 32778815 SIVLENKNKBKAQW-UHFFFAOYSA-N 367.829 4.470 0 40 FIAB O=C(N[C@H]1CCc2ccccc21)C1(c2ccc3c(c2)OCCO3)CCCC1 32843600 NLKRNIRFNCSTKK-IBGZPJMESA-N 363.457 4.073 0 40 FIAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1Br 36396844 NWDJJUFXPFFTTN-NSHDSACASA-N 352.659 4.464 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NCCSC3CCCCC3)CC2)cc1 39773094 OBLFACWZZBQDEG-UHFFFAOYSA-N 374.594 4.389 0 40 FIAB O=C(Nc1nc(-c2ccccc2)ns1)c1csc(-c2ccco2)n1 42090779 PQEVRHLWFMXRKN-UHFFFAOYSA-N 354.416 4.174 0 40 FIAB CCN(C(=O)Cc1ccc(NC(=O)c2ccc(C)nc2)cc1)c1ccccc1 47409390 XVAMQKOZFLLKJC-UHFFFAOYSA-N 373.456 4.238 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1OCC(C)C 48288077 BXOYGPQNVOZVTE-UHFFFAOYSA-N 365.433 4.168 0 40 FIAB CCOc1c(Cl)cc(CNC(=O)CCc2ccc(F)cc2)cc1OC 48355167 XTSKAVMATNJKDL-UHFFFAOYSA-N 365.832 4.135 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CC(C)(C)CC(=O)O 55149365 SCEOVMGLDIUBOZ-UHFFFAOYSA-N 368.433 4.077 0 40 FIAB CCCc1noc([C@H](C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1 56154725 KIQZZVSSEBCOCK-NSHDSACASA-N 372.400 4.488 0 40 FIAB Cc1cc(CNC(=O)c2cc3ccccc3n2Cc2ccccc2F)on1 58434040 UPXOZIGXMPHZGV-UHFFFAOYSA-N 363.392 4.055 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OCC 60512657 JLABLFLUKUHTCT-ATVHPVEESA-N 351.402 4.137 0 40 FIAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1nc2c(s1)CCCCC2 71284567 DOBVYKHDBQTZDI-UHFFFAOYSA-N 370.503 4.491 0 40 FIAB C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCN1C(=O)OC(C)(C)C 72297200 LSKIHUSWBHTFNI-LLVKDONJSA-N 373.280 4.075 0 40 FIAB CCO[C@@H](CCNC(=O)c1cccc(NC(=O)c2cccs2)c1)C(C)C 72307164 XZBTXLXMXTYBLU-KRWDZBQOSA-N 374.506 4.181 0 40 FIAB CCc1ccc(-c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1 72329186 PPDGSVLKRUZVDU-UHFFFAOYSA-N 353.853 4.265 0 40 FIAB Cc1cc(-c2cnc(NCc3ccc(C)o3)nc2-c2cccnc2C)on1 72336761 KWIHANXPHQOQOF-UHFFFAOYSA-N 361.405 4.324 0 40 FIAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc2[nH]ccc2c1 72404195 DQGYIFNUFFBKRO-UHFFFAOYSA-N 350.809 4.474 0 40 FIAB O=C1CC(c2cccs2)CC(=O)N1Cc1cccc(C(F)(F)F)c1 75172445 QZGVYCBHNPFJDD-UHFFFAOYSA-N 353.365 4.200 0 40 FIAB Cc1cc(NC(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)cnc1Cl 85312170 TVAZCKLKRQPNQE-UHFFFAOYSA-N 373.884 4.414 0 40 FIAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(F)c(C(F)(F)F)c1 95956130 LBMOREZUNQYKPX-UHFFFAOYSA-N 369.343 4.403 0 40 FIAB Cc1ccc(NC(=O)c2ccc3onc(-c4csc(C)n4)c3c2)nc1 96154425 GGNIRLSGOQDXFP-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 111894585 ZUSYAGRBPBQCLC-ZDUSSCGKSA-N 360.841 4.321 0 40 FIAB Cc1cccc(N(C)C(=O)CSc2ccc(Br)cc2C)n1 118624566 DZIHXHUAFOGLSY-UHFFFAOYSA-N 365.296 4.216 0 40 FIAB CC(C)c1ccc(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)cc1 139463288 YKBUFXUDROZWIS-UHFFFAOYSA-N 366.870 4.087 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 216334224 LNFDLHLEOFHHBR-GOSISDBHSA-N 355.478 4.137 0 40 FIAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ccc2nsnc2c1 217652515 XGJGVHAHCBNIEQ-UHFFFAOYSA-N 371.425 4.258 0 40 FIAB CCOC(=O)c1cc2c(C)n(CC)c(C)c2cc(C(=O)OCC)c1=S 218891507 YLHKMHIORKCEPN-UHFFFAOYSA-N 361.463 4.361 0 40 FIAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346648 DEHKXRXDJCVTGO-OAQYLSRUSA-N 366.505 4.185 0 40 FIAB CC[C@H](CNC(=S)Nc1cc(C(=O)OC)ccc1C)Cc1ccccc1 225631299 QXZKMDYHKMEZDW-INIZCTEOSA-N 370.518 4.337 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c(C)c1 225773403 YKXJCSGFUCWQOT-LJQANCHMSA-N 361.507 4.378 0 40 FIAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NC(C)C)sc3ccccc32)CC1 257299780 RROBSQJLCHOZLL-WKILWMFISA-N 372.534 4.449 0 40 FIAB Cc1cc(C)c(CN2CCO[C@]3(CCCC[C@H]3N3CCCC3)C2)cc1C 306136510 PVQOTSXUDFCBDQ-DHIUTWEWSA-N 356.554 4.221 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1Cl 408650735 BJRZNULSGVWTAT-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB CN1C(=O)CCc2cc(NC(=O)c3ccc(Cl)c4ncccc34)ccc21 560937397 BWEBYNBLOYWLTC-UHFFFAOYSA-N 365.820 4.050 0 40 FIAB O=C(c1cccc(Cl)c1Cl)N1CC[C@@H](n2cnc3ccccc32)C1 575617779 RBPMPQJCKUNQLX-GFCCVEGCSA-N 360.244 4.430 0 40 FIAB CC(C)c1cccc(-c2ccc(C(=O)N3CCO[C@@]4(CCCOC4)C3)o2)c1 585082221 GLBKGSGCEPDIJW-QFIPXVFZSA-N 369.461 4.092 0 40 FIAB CCCc1cc2c3c(c(=O)oc2cc1OCC(=O)c1ccccc1)CCC3 627891 BVWUIJFKQRRTJZ-UHFFFAOYSA-N 362.425 4.496 0 40 FIAB biogenic O=C(CSc1ccccc1C(=O)O)Nc1cccc(C(F)(F)F)c1 717943 WQHQRLBLRGHAGE-UHFFFAOYSA-N 355.337 4.134 0 40 FIAB Cc1ccc(S(=O)(=O)Cc2cc(OCc3ccccc3)ccc2N)cc1 1083956 IHIMGJKYQVITMD-UHFFFAOYSA-N 367.470 4.130 0 40 FIAB CCOC(=O)/C(=C\c1c[nH]c2ccccc12)P(=O)(OCC)OCC 1637654 ZEAQNVIDMHFNIL-LFIBNONCSA-N 351.339 4.338 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 1892710 VUQABNXLIVFBOR-UHFFFAOYSA-N 356.491 4.176 0 40 FIAB COc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 2646304 NWFIPEYMNDSEKY-UHFFFAOYSA-N 367.430 4.398 0 40 FIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N1CCc2ccccc21 3544903 HDJZVWBSYVKAMU-NSHDSACASA-N 357.866 4.286 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1 3598878 IOZXXTBPPIQVCF-AWEZNQCLSA-N 351.402 4.324 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1 3895781 OKQROKZDECFTIY-GOSISDBHSA-N 360.498 4.135 0 40 FIAB CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1 4103756 XIMHKNSCCQCTOH-UHFFFAOYSA-N 356.853 4.464 0 40 FIAB Cc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 4192332 RVPWWBRULXIHKC-UHFFFAOYSA-N 352.522 4.168 0 40 FIAB c1ccc2c(c1)NCCCCCNc1ccccc1OCCOCCO2 4794219 NPRBSMPIYBCAHT-UHFFFAOYSA-N 356.466 4.169 0 40 FIAB CCOc1ccc(C2=Nn3c(nnc3-c3ccc(C)cc3)SC2)cc1 5093052 GFWVLLVMJHCRAO-UHFFFAOYSA-N 350.447 4.010 0 40 FIAB COc1cccc(-c2ccc3nnc(SCc4ccc(F)cc4)n3n2)c1 5168077 COSXHOYYRVZZDH-UHFFFAOYSA-N 366.421 4.231 0 40 FIAB Clc1cccc(CSc2nnc3ccc(-c4ccccn4)nn23)c1 5168380 WMXFZKAVCFIEOQ-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB Cc1ccc(O)c(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]n2)c1 5343135 FHWQETQORGVAJU-UHFFFAOYSA-N 361.323 4.362 0 40 FIAB COc1ccc(C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c(OC)c1 5454799 ZSGTXFABVQDIKT-UHFFFAOYSA-N 372.461 4.036 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1ccnn1C1CCCC1 5629067 UCWYJLASGVLEBZ-UHFFFAOYSA-N 358.492 4.339 0 40 FIAB CCn1c(SCCCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O 5658763 QGAZBHOQRDUDMP-UHFFFAOYSA-N 370.449 4.311 0 40 FIAB Cc1ccc(CNC(=O)c2sccc2NC(=O)c2ccccc2)cc1 5794247 ILQSISWNMLFFDH-UHFFFAOYSA-N 350.443 4.239 0 40 FIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC)cc1 6127771 XAKFRTZUTOXHGR-UHFFFAOYSA-N 367.426 4.463 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1 6648480 TXEKSXFUPRVFAG-SFHVURJKSA-N 374.868 4.132 0 40 FIAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Br)s1 7053613 SARIEGXEJOWPND-UHFFFAOYSA-N 368.277 4.465 0 40 FIAB CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(F)F 7364383 SXENBQBLMPCPBC-SFHVURJKSA-N 374.387 4.416 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 7408316 JCXZTOMEIFLYHG-OAHLLOKOSA-N 356.491 4.288 0 40 FIAB COc1cccc(CNC[C@@H](C)O)c1OCc1ccc(Cl)cc1Cl 8535102 XLFAWGNMQASOCK-GFCCVEGCSA-N 370.276 4.051 0 40 FIAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1ccc(SC(F)F)cc1 8745264 TYSYLJWYIHPSKL-CQSZACIVSA-N 351.374 4.198 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1Br 8923727 VKNPBQKSBQDUEZ-UHFFFAOYSA-N 352.247 4.287 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CCCCC3)cc21 8959658 QXXYMLVWQLNKRK-UHFFFAOYSA-N 358.482 4.367 0 40 FIAB CN(C)CCCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N 8992170 GQOQSKVBCPIAQL-UHFFFAOYSA-N 372.472 4.394 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)Oc1ccccc1 9038324 FOFILNQPSHTMHA-UHFFFAOYSA-N 372.424 4.496 0 40 FIAB Fc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10184212 UPVPFSJBXZYAPW-CYBMUJFWSA-N 354.454 4.278 0 40 FIAB CCSc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)cc1 10252484 BNNRQVWOKHCJMY-UHFFFAOYSA-N 355.488 4.498 0 40 FIAB CC1(C)Cc2cc(/C=C3/SC(Nc4ccccc4)=NC3=O)ccc2O1 10299441 IXPVXZIDJDKTNG-GZTJUZNOSA-N 350.443 4.483 0 40 FIAB CC(=O)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n(C)c1 12530745 LAYRDZSQTFAKDJ-UHFFFAOYSA-N 358.401 4.023 0 40 FIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1C 12767083 JDGNNLYHBSSCAP-ZIAGYGMSSA-N 357.523 4.490 0 40 FIAB CCOCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12944486 NUGIJZPFVBITJL-UHFFFAOYSA-N 368.408 4.304 0 40 FIAB COc1ccc(C[C@H](NC(=O)c2ccoc2)c2ccc(OC)cc2)cc1 12975619 UQUGJVDUOCWAPN-FQEVSTJZSA-N 351.402 4.011 0 40 FIAB CN(C)c1cccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13692094 WYRVCIFNRAKCBK-UHFFFAOYSA-N 372.457 4.134 0 40 FIAB COc1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)c(OC)c1 13935141 XVQRCOMNKLRNOC-UHFFFAOYSA-N 352.843 4.175 0 40 FIAB O=C(NC1CCCC1)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 13945429 BCSQJFBWCFPVRK-SFHVURJKSA-N 351.475 4.455 0 40 FIAB O=C(Cc1noc2ccccc12)N[C@H]1CCSc2ccc(Cl)cc21 14242673 KHVINIYRLOPEBC-AWEZNQCLSA-N 358.850 4.377 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccccn2)cs1 14688940 ASBLKGDUEXPMOB-NSHDSACASA-N 359.838 4.265 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(CN2CCCC2)cc1 17074269 XTBDNGKQIXIEHN-UHFFFAOYSA-N 360.457 4.453 0 40 FIAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(CC(C)C)CC1 19236854 OGZINXGDOROPMZ-QFIPXVFZSA-N 365.521 4.229 0 40 FIAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccccc2)Cc2ccncc2)cc1 19371527 VFXQBFNNMXOAEL-XZOQPEGZSA-N 362.448 4.406 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20144743 BXAIEHVTVFAHSV-UHFFFAOYSA-N 368.216 4.488 0 40 FIAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccnc4)nc32)c(C)c1 21801734 XIMCWRAFCRTUDB-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCCCCC2)c1 22829024 TWOCMQLMPMRDJD-UHFFFAOYSA-N 354.450 4.337 0 40 FIAB O=C(Oc1ccc2ccccc2c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 22958835 WQFJEBULOGDWTL-HXUWFJFHSA-N 361.397 4.177 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1nc(C)c(C)s1)O[C@H](C)C2 24042517 PVVMNVGXZCNRHI-XUIVZRPNSA-N 358.463 4.134 0 40 FIAB C[C@@H](NCc1cc(Br)c2c(c1)OCO2)c1ccccc1F 25363040 GVHBEUTWKPZHMR-SNVBAGLBSA-N 352.203 4.168 0 40 FIAB COc1cc(/C=C/C(=O)N2CCCCC[C@@H]2c2cccn2C)cc(OC)c1 25712073 GPDLPOPLCRCTGJ-RQWLHQTBSA-N 368.477 4.199 0 40 FIAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@@H]1C(=O)O 32109877 IEYXJQVIWCATHW-YRPNKDGESA-N 352.430 4.228 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1C 32669915 AKCBDWSVKOBXER-QGPMSJSTSA-N 363.523 4.022 0 40 FIAB CCOC(=O)c1ccc(OCc2nc(-c3cccc(Cl)c3)no2)cc1 32764987 ZSKHHGLHAXLDCC-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB C[C@H](c1ccc(F)cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 32804144 WEPCRBJQGWSVEC-QGZVFWFLSA-N 366.480 4.184 0 40 FIAB CCOc1cc(CO)c(Br)cc1OCc1cccc(C)c1 34772779 SPQWFHXXCXRILE-UHFFFAOYSA-N 351.240 4.228 0 40 FIAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3cc2C)c1 35292440 UGTSXIMHUBRQTH-UHFFFAOYSA-N 368.458 4.291 0 40 FIAB Cc1nc2c(-c3ccccc3)nc(SCCN3CCCC3)nc2s1 35682634 KAWGLLIWBXAPCC-UHFFFAOYSA-N 356.520 4.250 0 40 FIAB COCc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)s2)s1 40266561 UNFUXNJAFXYRPG-UHFFFAOYSA-N 365.867 4.319 0 40 FIAB O=C(Nc1cccc2c1CCCC2)N(Cc1cccnc1)C[C@@H]1CCCO1 48277848 XBMLTRNXSOCLPV-IBGZPJMESA-N 365.477 4.174 0 40 FIAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccccc1 58406010 ITEIBOVGIRNSAQ-UHFFFAOYSA-N 374.396 4.220 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(Br)nc1 72211549 LJQIYXJTCXZGPF-HNNXBMFYSA-N 361.239 4.318 0 40 FIAB O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72349391 FPAFDHZZPJRTII-NRFANRHFSA-N 371.484 4.016 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3nc(C(C)(C)C)cs3)n(C)n2)cc1 72403390 DJKJCTDSWZKSCL-UHFFFAOYSA-N 370.478 4.102 0 40 FIAB CC[C@@H](C(=O)NCCN1CCC(c2cccs2)CC1)c1ccccc1 77103959 UNIPNGZVBIQWNR-LJQANCHMSA-N 356.535 4.238 0 40 FIAB O=C(Nc1ccccc1Cl)N(CCN1CCCC1)Cc1ccccc1 79107202 PJNJTLCORKVYNS-UHFFFAOYSA-N 357.885 4.470 0 40 FIAB c1ccc(Nc2ccc3nc(C4CCN(Cc5ccco5)CC4)nn3c2)cc1 96038314 BVZOEEHRTZAKBP-UHFFFAOYSA-N 373.460 4.446 0 40 FIAB CCc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1 98212594 RDQAHVWYQPKNLV-UHFFFAOYSA-N 374.488 4.038 0 40 FIAB COC(=O)/C(=C/Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 100025888 GKTDYTIMRYEGKS-UYRXBGFRSA-N 373.474 4.019 0 40 FIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)CC2=O 100745773 TZJLSLPWZMTWCK-IRXDYDNUSA-N 350.256 4.173 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3C)C2=O)cc1 103301515 QKNRUFJYTXGQSE-WOJGMQOQSA-N 368.458 4.418 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)C1(C)C 107328071 MKEIXLNVZVEZLM-KYOSRNDESA-N 374.506 4.444 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(Cl)cc1 219557300 VMKCALZEJUELBG-QGZVFWFLSA-N 361.869 4.255 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccccc2F)c1C 219575997 XCQJZDMBCPMBAL-KRWDZBQOSA-N 359.397 4.107 0 40 FIAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 223328464 MSVYZXAUMMJUSP-CYBMUJFWSA-N 373.324 4.427 0 40 FIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223348185 JQAUTAPPDLYKQT-INIZCTEOSA-N 353.462 4.048 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)s1 223448050 DGTFUGSQDHYLOU-QZTJIDSGSA-N 366.515 4.019 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)s1 223506767 XOMVALDDEGJLRZ-GFCCVEGCSA-N 371.915 4.490 0 40 FIAB Cc1ccc(CC(=O)NCc2ccc(CN3CCCCC3)cc2)c(C)c1 224536669 GWLKJLHGGOWECB-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccccc2Cl)CC1 225436281 VDCPKQIHNCPVHK-UHFFFAOYSA-N 363.288 4.193 0 40 FIAB S=C(NCCCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 225544130 SFXLUIDNXOGJCK-UHFFFAOYSA-N 362.882 4.030 0 40 FIAB CCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 226365578 NCRXQSCYGVTJTJ-VZUCSPMQSA-N 360.793 4.144 0 40 FIAB Cc1ccnc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257253439 JYYFAUDVOYRZAS-NRFANRHFSA-N 373.456 4.487 0 40 FIAB CCCCNC(=O)C(=O)c1c(-c2ccc(OCC)cc2)cc2ccccn12 408679913 WQBHKQYUVZIWCU-UHFFFAOYSA-N 364.445 4.104 0 40 FIAB CC1=C(C)C[C@@H]2C(=O)N(CCOc3cc(C)ccc3C(C)(C)C)C(=O)[C@H]2C1 409379193 VOPRDSAVQKACCE-ROUUACIJSA-N 369.505 4.403 0 40 FIAB OC[C@@H](CNCc1ccc2occc2c1)Cc1ccc(Br)cc1 511784329 FZTYPGAPLJRFNN-MRXNPFEDSA-N 374.278 4.136 0 40 FIAB CCc1cc(N2CCC[C@@H](N[C@@H](C)c3ccc(OC)c(Cl)c3)C2)ncn1 536865851 XDMNFMBQRRFVFC-WMLDXEAASA-N 374.916 4.021 0 40 FIAB COC[C@H]1CN(Cc2cccs2)CC12CCN(Cc1ccc(C)o1)CC2 585102921 IMAZVZFDDKINMK-GOSISDBHSA-N 374.550 4.010 0 40 FIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@H]2C[C@@H]2C1 663418215 BTPGNVDGKBIUTG-NLWGTHIKSA-N 359.473 4.351 0 40 FIAB Cc1noc(C)c1CN1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 1207137440 YOXHKZCYVKDCOS-UHFFFAOYSA-N 370.371 4.233 0 40 FIAB CCc1c(C)nc2sc(C(=O)c3ccc(OC)c(OC)c3)c(N)c2c1C 663516 RNSPZEPGQBGLBY-UHFFFAOYSA-N 370.474 4.306 0 40 FIAB O=C(O)CCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 849549 GANTZHPTKIUDDE-UHFFFAOYSA-N 364.195 4.045 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc(C)c1C 941475 JFWSVLPMGDZKTE-ZHACJKMWSA-N 359.447 4.202 0 40 FIAB CCCCN(CC(C)C)C[C@@H](O)CNc1cc(OC)cc2ccc(C)nc12 1656129 IFQDOXUHSQAZMH-IBGZPJMESA-N 373.541 4.083 0 40 FIAB CCOc1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 2336977 MCOIKCWIAQQIPR-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB COc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1Cl 2715826 HWRGGDFHJZKVFO-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB Cc1nn(CCc2nnc(-c3ccccc3OC(F)F)o2)c(C)c1Cl 2805182 CUZSJERJCBPIJL-UHFFFAOYSA-N 368.771 4.047 0 40 FIAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 3041702 CZKRGJJXCIQVDO-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1C 3314730 VZMSWGUVKYEABF-UHFFFAOYSA-N 364.445 4.289 0 40 FIAB C[C@@H]1CCc2sc(C(=O)OCC(=O)NCCC3=CCCCC3)cc2C1 3429216 LJYSCRRWYCSVPD-CQSZACIVSA-N 361.507 4.036 0 40 FIAB CCOc1ccc(CC(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4138243 OEIAEPHIOZZFGU-UHFFFAOYSA-N 362.473 4.304 0 40 FIAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccccc2F)n1 4167445 LEMLAMBBQLQCMT-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N1CCC(Cc2ccccc2)CC1 4230364 JWNNXUBXAUBATN-HXUWFJFHSA-N 369.557 4.470 0 40 FIAB CC(C)c1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 4716464 AGWQHQHOQBXROA-UHFFFAOYSA-N 366.307 4.273 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccoc1C 4860477 ZSRKOMXWJRFRDY-UHFFFAOYSA-N 370.478 4.214 0 40 FIAB CCCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccoc1C 4860643 XBNRYRRUKSSQQX-UHFFFAOYSA-N 374.441 4.126 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)c1 5151974 PNPYLGZEWJPFAS-MRXNPFEDSA-N 373.522 4.478 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1 6345180 LRQZAMLWXGTWEC-UHFFFAOYSA-N 365.260 4.011 0 40 FIAB CCCCOC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 6650461 PBTDJVWBBRACKI-SFQUDFHCSA-N 369.442 4.219 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@@H]1c1cccs1 6875799 UPJIEJCSBKRROX-OALUTQOASA-N 370.518 4.209 0 40 FIAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1Br 6922059 FOOMSJHKUFUINL-UHFFFAOYSA-N 364.239 4.092 0 40 FIAB C=CCn1cc(/C=C(\Sc2nnc(CCC)[nH]2)C(=O)O)c2ccccc21 7342268 FVXDBIRHJOUYMG-WJDWOHSUSA-N 368.462 4.116 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 7723899 IWYNSTJWMKYUFL-UHFFFAOYSA-N 360.385 4.278 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3Cl)n2)c1 7759867 CWWVBYHVRQJUDE-ZHACJKMWSA-N 367.836 4.370 0 40 FIAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2C)c(Br)c1 7845432 PUKTXFMPFCULIY-UHFFFAOYSA-N 361.283 4.136 0 40 FIAB Cc1cccn2cc(CSc3nnc(NCc4ccccc4)s3)nc12 7990245 KUGXSCBDXZJMFO-UHFFFAOYSA-N 367.503 4.399 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)Cc2noc3ccccc23)cc1OCC 8031560 CYPPOPFJQLFHNY-AWEZNQCLSA-N 368.433 4.045 0 40 FIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCCc1ccccc1 8935932 NLVPDLHCIQFIDS-UHFFFAOYSA-N 373.452 4.045 0 40 FIAB Cc1nc(-c2ccc(N[C@@H](C(=O)N(C)C)c3ccccc3)cc2)cs1 9368711 XMACWWIKTBTKAC-LJQANCHMSA-N 351.475 4.360 0 40 FIAB O=C(COc1ccccc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120121 KCIRGMWWTGSQLY-UHFFFAOYSA-N 358.397 4.436 0 40 FIAB CCOc1ccc(CCC2CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)cc1 10997753 SRODNRZWDFQPDU-UHFFFAOYSA-N 368.477 4.101 0 40 FIAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11466998 WIKUKHIUXHDSIN-UHFFFAOYSA-N 365.408 4.151 0 40 FIAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C 11613724 SQNIRDGMVCMBFT-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 12137445 GPIIQKXXVNXEBW-LJQANCHMSA-N 355.434 4.358 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(Cc2ccc(Br)cc2)C1 12284627 YVMIJUWWUWVEJX-INIZCTEOSA-N 373.294 4.300 0 40 FIAB Cc1nc2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc2o1 12544769 CVJUHIDKSAMGCS-UHFFFAOYSA-N 357.218 4.244 0 40 FIAB C[C@@H](SCc1ccc(Br)cc1)C(=O)Nc1ccncc1 12554080 HQWAYSFXKWZHLB-LLVKDONJSA-N 351.269 4.105 0 40 FIAB COCCn1c(SCc2nc3ccccc3nc2C)nc2ccccc21 12631287 JUTLYTHAVRJTKV-UHFFFAOYSA-N 364.474 4.227 0 40 FIAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)C12CC3CC(CC(C3)C1)C2 12794229 RCEIBRFYKIUOIQ-JIEKGTPASA-N 361.869 4.253 0 40 FIAB COC(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c(F)cc1F 13003638 KSASVFBBYBGNOU-QPJJXVBHSA-N 351.736 4.057 0 40 FIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(O)nc2ccccc12 14910467 IQZOUBSHZZEYON-UHFFFAOYSA-N 372.428 4.269 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OC 15608887 DWPRKIWSHPGUNX-LBPRGKRZSA-N 360.841 4.129 0 40 FIAB Cc1nc2ccccc2nc1-c1nnc(-c2nc3ccccc3nc2C)s1 16265688 MPQWVTRZMLJMDK-UHFFFAOYSA-N 370.441 4.375 0 40 FIAB O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccccc1Cl 16850070 XZOISXZXGTWONA-UHFFFAOYSA-N 357.866 4.399 0 40 FIAB COc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc(OC)c1OC 17335659 XFKTVGCRSFBVCV-UHFFFAOYSA-N 374.195 4.411 0 40 FIAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)C(C)C)CC3)c2)cc1 19691235 OLKQFPYBFPMQBB-UHFFFAOYSA-N 352.478 4.428 0 40 FIAB Cc1ccccc1OCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20143759 XJPBSIBEDHNQCZ-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB Cc1sc2c(c1C)CN(Cc1cccnc1)CN2C(=O)c1ccccc1 20193346 OMIUJOLYAVVSEM-UHFFFAOYSA-N 363.486 4.380 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2C)cc1Cl 20457991 ZRYBOAKZKZOHOM-ZDUSSCGKSA-N 353.871 4.005 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2=O)cc1 20481887 XBLJZOUOSRGEGG-INIZCTEOSA-N 374.440 4.373 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccco1 22190634 FDSYHZUIYVQBTA-UHFFFAOYSA-N 369.248 4.006 0 40 FIAB CN1C(=O)Cc2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 22506599 ZYKAGCQOOSDPTQ-UHFFFAOYSA-N 350.205 4.156 0 40 FIAB CN(C(=O)CSc1nc2ccccc2o1)[C@@H]1CCCc2ccccc21 23260790 XDYUGGJOTLKZNZ-QGZVFWFLSA-N 352.459 4.456 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@H](C(F)(F)F)C1 24183248 ZMAWOLPOPGNLBS-LBPRGKRZSA-N 371.790 4.249 0 40 FIAB Cc1cc(/C=C/C(=O)NCc2coc(-c3cccs3)n2)c(C)n1C1CC1 24982500 OVURFKRUYSBWHD-VMPITWQZSA-N 367.474 4.486 0 40 FIAB Cc1noc(C)c1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 27816763 NWTTZMMBODPMNG-INIZCTEOSA-N 365.458 4.396 0 40 FIAB CCc1c(C)sc(NC(=O)Nc2ccccc2C(F)(F)F)c1C(N)=O 27919540 VVJYGOIVFXYBFK-UHFFFAOYSA-N 371.384 4.381 0 40 FIAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(Br)c1 28303700 HXTQRBIOAAPFDH-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)c(Cl)c1Cl 30754532 IYGMCWVAUQCESZ-UHFFFAOYSA-N 374.289 4.131 0 40 FIAB CCSc1nnc2c(n1)O[C@H](/C(C)=C\c1ccco1)Nc1ccccc1-2 32200637 XAONLKWQPNDNGW-WFTPILKQSA-N 366.446 4.478 0 40 FIAB CC(C)(CNC(=O)c1ccccc1OCc1ccncc1)c1ccccc1 32448373 PXEUTDRSCKIDII-UHFFFAOYSA-N 360.457 4.368 0 40 FIAB COc1ccc(C)cc1NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 32754444 AWGGELSSDBSYSD-OAHLLOKOSA-N 352.434 4.381 0 40 FIAB Cc1ccccc1COC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 32910092 USOAMNWNZIFJFR-GOSISDBHSA-N 359.853 4.146 0 40 FIAB O=C(CSCc1cccs1)Nc1cccc(Oc2cnccn2)c1 33136831 QIYMALZIKSPXQP-UHFFFAOYSA-N 357.460 4.202 0 40 FIAB CCCCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1OCC 33680118 IIAXVLKINBRPIR-UHFFFAOYSA-N 356.418 4.304 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2Cl)cc1 35289372 HWMNVQZFSZETEL-KRWDZBQOSA-N 357.841 4.283 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2c(C)cccc2C)cc1 35289617 QAXNNASGXMNBKA-SFHVURJKSA-N 351.450 4.247 0 40 FIAB COCCOCc1cccc(NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1 47592245 OJISFFUWTZJHID-KRWDZBQOSA-N 356.466 4.383 0 40 FIAB c1ccc(CC[C@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 48234371 CJIFTVGMCIBUHI-GOSISDBHSA-N 350.491 4.197 0 40 FIAB O=C(Nc1cccc(N2CCOC2=O)c1)c1[nH]c2ccccc2c1Cl 56882215 YGIGCZVGRGLNPT-UHFFFAOYSA-N 355.781 4.030 0 40 FIAB O=C([C@@H]1C[C@H]1c1cccc(Br)c1)N1CCC[C@@H]1c1ccncc1 58403453 BJBIWSLYNPUFDD-RCCFBDPRSA-N 371.278 4.311 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccs1 58441461 BPVJNQFLJUWKLU-GOSISDBHSA-N 357.479 4.394 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 59227274 RCOAHRAZPPVLSQ-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Clc1cnccc1CN1CCO[C@@H](c2cccc(Br)c2)C1 72304877 QIHRTWWBBDKJFS-MRXNPFEDSA-N 367.674 4.071 0 40 FIAB c1ccc(Nc2nc(CN3CCC(OC[C@H]4CCCO4)CC3)cs2)cc1 83408000 RDCPDXLRGAXXOP-LJQANCHMSA-N 373.522 4.047 0 40 FIAB Cc1csc([C@H](C)NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)n1 89705325 MLYSQDQMVGTJDU-QMMMGPOBSA-N 351.382 4.148 0 40 FIAB CCCn1ccc2ccc(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3)cc21 89960744 LFTNKDPOOLYZBE-OAHLLOKOSA-N 367.415 4.264 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 95469727 CZZFODJNCKVAIR-FQEVSTJZSA-N 372.468 4.260 0 40 FIAB COC(=O)/C(=C\NNc1c(Cl)cc(Cl)cc1Cl)C(F)(F)F 96171697 GRERIKIBQYFCQI-GQCTYLIASA-N 363.550 4.183 0 40 FIAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C[C@H]4O[C@@H]4[C@H]3[C@@]1(Cl)C2(Cl)Cl 100353271 VMNNMBZKONGDDQ-AOXPKLHFSA-N 354.875 4.235 0 40 FIAB Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1NC(=O)c1ccncc1 107344909 QKBFOMLBTBCJGG-SZMVWBNQSA-N 363.461 4.407 0 40 FIAB COc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 107752098 IUKBSJKDVDQOSG-GOTSBHOMSA-N 373.537 4.273 0 40 FIAB N=C1N=C(c2ccccc2)/C(=N/Nc2ccccc2Br)S1 108420353 MOXVDIOPYRCGJR-QSOMOFNKSA-N 359.252 4.345 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NCc1cncc(-c2ccsc2)c1 206948699 SFTUMUOYLJSMCJ-UHFFFAOYSA-N 357.866 4.463 0 40 FIAB CNc1ccc2oc(-c3cccc(I)c3)nc2c1 216842276 ODJGLRZGPHXWAJ-UHFFFAOYSA-N 350.159 4.141 0 40 FIAB C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCC2 223259191 FDBXVQOGZDGYIZ-CYBMUJFWSA-N 358.279 4.358 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=O)C1(c2ccccc2)CCCC1 223424249 RHNNEQXGSLOSDQ-QGZVFWFLSA-N 353.462 4.091 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 224285489 ROGDXGOSDHXCMK-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NCC 224436837 PZLWOQSIHSEJJH-HNNXBMFYSA-N 359.297 4.037 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1 224481869 ZOPFISAKICVWGM-MRXNPFEDSA-N 367.898 4.414 0 40 FIAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)c(I)c1 225008658 BYQQJQWEYVYKNV-LBPRGKRZSA-N 365.214 4.091 0 40 FIAB CN1N[C@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S 225351423 BUAIKZGLIBZHFY-JOCHJYFZSA-N 359.498 4.074 0 40 FIAB C[C@H]1CCCN(CCCNC(=O)CCc2ccc(Cl)cc2Cl)C1 225379020 HNFZVJVFWIAIJO-AWEZNQCLSA-N 357.325 4.164 0 40 FIAB O=C(NC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574064 DJQSBNSBHUMHTL-UHFFFAOYSA-N 352.881 4.140 0 40 FIAB CO[C@H](CNC(=O)CCSc1ccccc1)c1ccc(Cl)s1 225702417 RYEVGYOIRMZWTB-CYBMUJFWSA-N 355.912 4.388 0 40 FIAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cc(Cl)ccc1Cl 225750183 BLSRVVIYDPWSID-UHFFFAOYSA-N 365.191 4.086 0 40 FIAB Cc1cc(C)n(-c2nc3c(C)cc(I)cc3s2)n1 226302053 MHBZJFMGGPLIDO-UHFFFAOYSA-N 369.231 4.012 0 40 FIAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)C1 231427237 OBTVQDXULWUSOW-RKDXNWHRSA-N 356.702 4.313 0 40 FIAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 329197632 VJPQWALMPDEIJJ-INIZCTEOSA-N 370.453 4.348 0 40 FIAB CSCCc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1 577235871 TVUNWOVVAMPYJG-UHFFFAOYSA-N 351.475 4.089 0 40 FIAB CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H]1CCc2c(Cl)cccc21 584387415 GIKLFDHRXPTMNT-QZTJIDSGSA-N 372.900 4.481 0 40 FIAB FC(F)(F)c1cccc(N2CCC(c3ccc4cccnc4n3)CC2)n1 656214671 YAKVHJKNZWJCGG-UHFFFAOYSA-N 358.367 4.428 0 40 FIAB Cc1ccc(C(=O)N2CCC(N[C@H](C)c3cc4cnccc4o3)CC2)cc1 657865646 BREKQTMIUKBDGC-MRXNPFEDSA-N 363.461 4.092 0 40 FIAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@@H](c1ccccc1)c1ccccc12 1565556720 ZFKKOSNZNXEZDU-FPOVZHCZSA-N 361.485 4.119 0 40 FIAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1 929298 PIEZPTYAEXKRLG-VLIAUNLRSA-N 369.490 4.030 0 40 FIAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1cccnc1 1376064 NQCHRVKNHAUUQR-UHFFFAOYSA-N 372.837 4.005 0 40 FIAB Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1cccnc1 1376070 GXRWTEXBAFYUTG-UHFFFAOYSA-N 372.837 4.005 0 40 FIAB S=C(OCCCCCn1cnc2c(=S)nc[nH]c21)Oc1ccccc1 1610733 BBTJHEQOJYOCNE-UHFFFAOYSA-N 374.491 4.040 0 40 FIAB COC(=O)C(Sc1c[nH]c2ccccc12)(C(F)(F)F)C(F)(F)F 2337735 DYTMEBSAVISOHR-UHFFFAOYSA-N 357.275 4.296 0 40 FIAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2394831 XGEWZAXIPCXLMG-HOYKHHGWSA-N 367.813 4.426 0 40 FIAB CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 2472077 PRJUVXSXGWTMDH-SJORKVTESA-N 369.856 4.059 0 40 FIAB COc1cccc(OC)c1C(=O)OCC(=O)c1cc(Cl)ccc1Cl 3227554 LVVSFPLLFSLRHC-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3302660 XXAVCLQBYXEOSW-UHFFFAOYSA-N 365.351 4.372 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 3611557 WEDHVQQRBOSCTH-LLVKDONJSA-N 352.203 4.303 0 40 FIAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc2ccccc2c1 4348622 QJFUYMSQHGPYNS-UHFFFAOYSA-N 362.410 4.473 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccc(F)cc1 4888079 RRSFVFFQHQIZOJ-AYHJJNSGSA-N 358.482 4.203 0 40 FIAB CCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(C)ccc12 4895172 QWAUZFIZGBQXDQ-UHFFFAOYSA-N 369.465 4.363 0 40 FIAB Cc1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1 4984851 VZZSTPJJKZXHMS-UHFFFAOYSA-N 363.486 4.099 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(-c2cc(C)c3ccccc3n2)cc1 5701483 VYVWUTWSZVLYTI-UHFFFAOYSA-N 354.475 4.241 0 40 FIAB COc1cccc(CNC(=O)CSc2nc(-c3ccccc3)cs2)c1 5971743 DZHPDFRCPSMHQC-UHFFFAOYSA-N 370.499 4.227 0 40 FIAB COc1ccc(-c2nc(CC(=O)NC3CCCCCC3)cs2)cc1OC 6284243 YIMASEKSJDAXIJ-UHFFFAOYSA-N 374.506 4.209 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 6327925 KHGHMPZVDXLAPF-DHZHZOJOSA-N 352.415 4.125 0 40 FIAB CCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 6647187 OLVXLRGHJFXLKR-RAXLEYEMSA-N 368.260 4.466 0 40 FIAB O=C(OCc1cc(-c2cccs2)on1)c1cc(-c2ccccc2)[nH]n1 7028674 DBKCPSWHGUAODW-UHFFFAOYSA-N 351.387 4.150 0 40 FIAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1COc2ccccc2O1 7346369 MTDMKCJPJCLIDM-HSZRJFAPSA-N 373.452 4.165 0 40 FIAB Cc1ccc2oc(C(=O)OCc3cc(-c4ccccc4)on3)cc(=O)c2c1 7549682 CLKBDZBUQAJQSD-UHFFFAOYSA-N 361.353 4.113 0 40 FIAB O=C(O)/C(=C/c1ccc(O)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 7603201 IYNFLWKVDFSTHC-ZROIWOOFSA-N 374.805 4.313 0 40 FIAB Nc1c(C(=O)Nc2cccc(F)c2)c2ccccn2c1C(=O)c1ccccc1 8611837 MWCISVNGCDFIBH-UHFFFAOYSA-N 373.387 4.144 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(F)cc1 9156937 VXEJQSQBIQIWMW-QFIPXVFZSA-N 373.431 4.161 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)oc2c(F)cccc12 9217455 REDDHUPTSFSQBW-INIZCTEOSA-N 356.397 4.040 0 40 FIAB CC(C)Cc1cc(-c2nn3c(CSc4ccccc4)nnc3s2)n[nH]1 9421455 HNQKCEWVBBITAN-UHFFFAOYSA-N 370.507 4.067 0 40 FIAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 10543902 LQXAJYSDCMUOTG-CYBMUJFWSA-N 368.296 4.105 0 40 FIAB CCN(CC)CCCNc1ncc(-c2ccsc2)c(-c2nccs2)n1 12274900 OUSPFFZQNFDGAB-UHFFFAOYSA-N 373.551 4.472 0 40 FIAB Cc1nc(-c2cc3ccc(OC(=O)c4ccco4)cc3oc2=O)cs1 12322224 UYPWCTIJAMULQP-UHFFFAOYSA-N 353.355 4.037 0 40 FIAB Cn1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)n1 12444368 IOWRYGORHCHABX-UHFFFAOYSA-N 359.263 4.164 0 40 FIAB C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(-n2ccnc2)cc1 12547987 MUGYGDYZHYMREU-AWEZNQCLSA-N 351.475 4.304 0 40 FIAB CCCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc21 12619664 XBLUXDRZFREBQD-UHFFFAOYSA-N 358.239 4.461 0 40 FIAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(C)cc3C)ccc12 12734429 MYVMNHNCXLXVHQ-HNNXBMFYSA-N 365.429 4.378 0 40 FIAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C)c2cccnc12 12889344 YTJUMUDWEWEPPO-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccco1 13002719 YFNUHVDMFZZHTH-UHFFFAOYSA-N 356.813 4.170 0 40 FIAB Cc1cc(Cl)ccc1Nc1nc(NCc2ccco2)nc2nccnc12 13010886 HRNUNZHUYXBYDJ-UHFFFAOYSA-N 366.812 4.330 0 40 FIAB CCOc1ccc([C@H]2C[C@@H](c3cccc(Cl)c3)n3nc(N)nc3N2)cc1 13132102 MPYRAQLPXCFEAV-SJORKVTESA-N 369.856 4.059 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 13685701 LPRFTSLASSYQSO-KRWDZBQOSA-N 368.477 4.095 0 40 FIAB CCc1nn2c(C)c(CCC(=O)O)c(C)nc2c1-c1ccc(Cl)cc1 13689182 PUKKHBCMQCBPHQ-UHFFFAOYSA-N 357.841 4.246 0 40 FIAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(CC(C)C)C4)cc1 13691501 SZAKQWRDAGTKGF-UHFFFAOYSA-N 365.429 4.277 0 40 FIAB biogenic O=c1cc(CSc2ncc(C(F)(F)F)cc2Cl)nc2ccccn12 14759037 SPYFYSMDPFYKCN-UHFFFAOYSA-N 371.771 4.054 0 40 FIAB CC(=O)c1cccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 15935891 CIESNOSKJINOKH-UHFFFAOYSA-N 368.408 4.155 0 40 FIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1cccc(C)c1C 20144010 ZZSCLAIQVWRGTL-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1C 20457482 ZUIMXYLQEIDXJS-CQSZACIVSA-N 373.474 4.300 0 40 FIAB COCc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 23122308 AOMOVJAUEODNKY-UHFFFAOYSA-N 366.442 4.411 0 40 FIAB CC(C)NS(=O)(=O)c1ccc(Oc2ccc(-c3ccccc3)cc2)nc1 24990666 YWQGKZUHEIOVLH-UHFFFAOYSA-N 368.458 4.228 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)o1 25099479 CMINIWPWZSFMQV-UHFFFAOYSA-N 368.412 4.218 0 40 FIAB O=C(NOCc1ccccc1)c1c(-n2cccc2)sc2c1CCCC2 25284961 CYTVLPRZALWDBR-UHFFFAOYSA-N 352.459 4.279 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1C 27822575 PDPCYKQFNCIAJF-UHFFFAOYSA-N 358.463 4.151 0 40 FIAB COc1ccc(CC(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1 27921949 KXOOWWIAHADSHH-UHFFFAOYSA-N 363.461 4.046 0 40 FIAB COc1ccc(-c2cc3nc(CN4CCC[C@H](C)C4)nc(O)c3s2)cc1 36383195 LCBOCXOSLXMFGA-ZDUSSCGKSA-N 369.490 4.304 0 40 FIAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)cnn12 36615681 HUTULKWFQZUIDF-UHFFFAOYSA-N 356.596 4.143 0 40 FIAB CCOc1ccccc1NC(=O)CN[C@@H](c1ccc(C)cc1)C(F)(F)F 40158317 JHHUEIAAVBHLID-SFHVURJKSA-N 366.383 4.225 0 40 FIAB COc1ccccc1CNC(=O)c1sc(NCc2ccccc2)nc1C 40266974 WSWIKHSBCPWTKR-UHFFFAOYSA-N 367.474 4.002 0 40 FIAB CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 45906953 ACEXERNXSXTPOD-AWEZNQCLSA-N 357.475 4.449 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1OC1CCCC1 46666591 KCPVSFLPWDTEIR-UHFFFAOYSA-N 362.429 4.073 0 40 FIAB Cc1nccn1-c1ccc(NC(=O)c2occc2COc2ccccc2)cn1 47275686 IFOUYBORQCCRTR-UHFFFAOYSA-N 374.400 4.000 0 40 FIAB COCCn1c(SCc2nnc(-c3cccs3)o2)nc2ccccc21 48325653 IJCXTWUZDIJRCG-UHFFFAOYSA-N 372.475 4.087 0 40 FIAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1Cl)C3 55393834 TUOFJDALAOCLTO-UHFFFAOYSA-N 355.821 4.361 0 40 FIAB COc1ccc2c(C)cc3nnc(SCc4c(C)noc4C)n3c2c1 58152493 QNNXBXOZIULCKY-UHFFFAOYSA-N 354.435 4.097 0 40 FIAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)NC1CCCCCC1 58411693 RNUOFDROIXVWGY-UHFFFAOYSA-N 364.511 4.247 0 40 FIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccccc1F)C3 61997627 YRGKZWVGOVGMJQ-UHFFFAOYSA-N 353.393 4.209 0 40 FIAB biogenic C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N(C)C 62582231 JFWFQNSGVIQAHO-APWZRJJASA-N 371.550 4.361 0 40 FIAB O=C(Nc1ncccc1O)c1cc(-c2ccccc2)nc2cc(F)ccc12 65042080 ZJXVZNWGPFZJLI-UHFFFAOYSA-N 359.360 4.394 0 40 FIAB Cc1ccccc1CNC(=O)C1CCN(c2nc3ccccc3s2)CC1 66273937 RKLXXJREDLFLIP-UHFFFAOYSA-N 365.502 4.138 0 40 FIAB COc1ccc(OC)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71760802 BXGGZASTWALPQE-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3[nH]c(=S)oc3c2)cc1 72289289 AOEGALVWZHTPBH-UHFFFAOYSA-N 371.418 4.335 0 40 FIAB Cc1ccc2[nH]/c(=N\C(=O)Cc3csc(-c4cccs4)n3)sc2c1 72403942 QJAMBVBXZVGOBH-UHFFFAOYSA-N 371.512 4.393 0 40 FIAB O=C(CN1CCc2sccc2C1)N1C[C@H]2CCCC[C@]21c1ccccc1 79103465 MIDSRSDROCVQOD-KNQAVFIVSA-N 366.530 4.034 0 40 FIAB O=C(O)/C=C/c1ccc(-c2ccc(I)cc2Cl)o1 83324749 RACWWZLROLPLNC-ZZXKWVIFSA-N 374.561 4.302 0 40 FIAB O=C(CSCc1ccc(Cl)cc1Cl)NCCc1cscn1 84343513 SQTAMPSRAQVMLW-UHFFFAOYSA-N 361.319 4.042 0 40 FIAB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCC[C@H]1C1CCCCC1 84582952 SICZNJVFUMAMMJ-WMZOPIPTSA-N 358.507 4.061 0 40 FIAB COc1ccc2nc(S[C@H](C(=O)N3CCCC[C@H]3C)C(C)C)[nH]c2c1 84692145 MALIGIDQISSWST-DYVFJYSZSA-N 361.511 4.089 0 40 FIAB O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@H](c2ccsc2)C1 92959845 CHHIXAOQZKBRHU-SFHVURJKSA-N 372.490 4.068 0 40 FIAB CCc1cnccc1CNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 95995565 CWOFAVDWGZDTJR-UHFFFAOYSA-N 352.438 4.404 0 40 FIAB CO[C@@H]1CCN(c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)C1 96122243 AMQQSCGYJNDQDA-LJQANCHMSA-N 358.869 4.136 0 40 FIAB COCCCOc1cccc(CNCc2cccc(OC(F)(F)F)c2)c1 97020845 VQABUQJBJLJCDJ-UHFFFAOYSA-N 369.383 4.290 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)c1 219078992 WZCTUQOBNXFGKA-LJQANCHMSA-N 366.505 4.030 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1OC 219604085 BMDZWHPODBPMCV-GOSISDBHSA-N 361.869 4.255 0 40 FIAB Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219685484 NFEKXNDFHSPOHR-UONOGXRCSA-N 362.267 4.402 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3OC(C)C)n2)c1 219746774 DZELYNZTBRJMQC-UHFFFAOYSA-N 365.433 4.104 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1C(C)C 222844318 IYJJVYSWQIPQCC-AWEZNQCLSA-N 365.470 4.306 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 223278096 GBRTWCXCXFLIPE-OAHLLOKOSA-N 355.434 4.311 0 40 FIAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224448894 MWOXQYPBOCLZQA-RBUKOAKNSA-N 366.465 4.219 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)OCO2 224895547 BDQBQCDCZDUSOC-SFHVURJKSA-N 353.418 4.090 0 40 FIAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(-n2ccnc2)cc1 225355022 XRCDHWCRPVESJH-UHFFFAOYSA-N 374.271 4.428 0 40 FIAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225681437 HAOBLEMOHMSLFF-QGZVFWFLSA-N 372.490 4.293 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225722847 NZAGWXWWKNNRFD-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C(C)C 225743989 OPCMFOOMVHZONE-UHFFFAOYSA-N 361.463 4.130 0 40 FIAB O=C(Cc1ccccc1)N[C@@H]1C[C@H](c2cccc(F)c2)O[C@@H]2CCC[C@@H]12 257302131 SBQRUWKSNOYNAN-DOIPELPJSA-N 353.437 4.183 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1Cl 408585015 AKTSBEBOVLCOJR-CQSZACIVSA-N 367.898 4.038 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 408628547 USHAOOMVLFLOAT-UHFFFAOYSA-N 372.881 4.352 0 40 FIAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cccnc2)n1 409387088 ZJSXTYGWADBOHT-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB O=C(NCC12CC(CO1)C2)Nc1ccccc1OCc1cccc(Cl)c1 528986562 CAOCWTZSVPFNBF-UHFFFAOYSA-N 372.852 4.220 0 40 FIAB CSc1cc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)ccc1Cl 669414154 OSUCMOKEMSUWOP-LLVKDONJSA-N 350.875 4.197 0 40 FIAB COc1ccc(-c2noc(Cn3c(C(F)(F)F)nc4ccccc43)n2)cc1 29300942 YVPDDRGXNIRJLJ-UHFFFAOYSA-N 374.322 4.162 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)c(C)c1 1346921 WWBLMBPBYDCNSH-SFHVURJKSA-N 369.440 4.386 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2C)cc1 1913942 UYULVMXTYWSPKW-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(F)cc1 2614794 ASWMYJFEMQYSKX-UHFFFAOYSA-N 369.252 4.397 0 40 FIAB COc1cc(CN2C(=O)C(=O)c3cc(C)ccc32)ccc1OCCC(C)C 2706860 HACGHZSQTBNSRU-UHFFFAOYSA-N 367.445 4.158 0 40 FIAB CC(=O)N1CCc2cc(C(=O)N[C@H](c3cccs3)C3CCCC3)ccc21 32397305 SQCPOVGUIFVGJB-FQEVSTJZSA-N 368.502 4.318 0 40 FIAB O=C(Nc1ccc2nsnc2c1C(=O)c1ccccc1)c1ccccc1 3030929 ORMMSBLMHCDMOZ-UHFFFAOYSA-N 359.410 4.175 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCc2sccc2C1 21131799 IFKJVKSUEIYUJP-UHFFFAOYSA-N 365.502 4.068 0 40 FIAB O=c1c2ccccc2ncn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4174311 UMHCXJZBBKLGSL-UHFFFAOYSA-N 358.241 4.423 0 40 FIAB COCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 4980551 CRMASILNQGMLHL-UHFFFAOYSA-N 362.408 4.261 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 6270326 KHLVECCNECVSJR-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 6515764 PJDMWQHVNMGROG-UHFFFAOYSA-N 359.520 4.111 0 40 FIAB Cc1nc2ccccc2nc1CSCc1nc(-c2cccs2)no1 32778721 FOQBHWJREFWCGP-UHFFFAOYSA-N 354.460 4.483 0 40 FIAB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6952950 VNRDLACUBIICSX-IUUKEHGRSA-N 366.373 4.128 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 7645542 SWROCBGREJAMCH-YFTXEMMHSA-N 360.251 4.348 0 40 FIAB CCOc1ccc(NC(=O)CNc2ccc(Br)c(C)c2)cc1 7972494 JUDDUROWXDLQKI-UHFFFAOYSA-N 363.255 4.207 0 40 FIAB COc1ccc(CCNC(=S)NCc2ccc(Cl)cc2Cl)cc1 7984259 GQLNAPYJDSVFSZ-UHFFFAOYSA-N 369.317 4.209 0 40 FIAB O=c1c2ccccc2c(-c2ccccc2)nn1CN(C1CCCC1)C1CC1 32923223 MHSGKNVNHFJHKI-UHFFFAOYSA-N 359.473 4.428 0 40 FIAB COC(=O)CCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 673850 DKYCFTOZRVHPNI-UHFFFAOYSA-N 354.431 4.163 0 40 FIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(Cl)ccn1 22571026 PZQOPSOZPSNXNG-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB Cc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1C 2919792 SZTHWKSEMKLMNT-JKSUJKDBSA-N 357.820 4.229 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)CCC(=O)O 105365156 YJPIDPAGJSWWBE-JUMAPTCESA-N 372.461 4.025 0 40 FIAB Cc1cccc(Cl)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 3072850 VHJFRPBEDIRVRV-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 3037595 MROMHJGVFNFUID-WQRHYEAKSA-N 368.458 4.418 0 40 FIAB Cc1oncc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2Cl)cc1 54270100 YXRVKFKLEYWOPH-UHFFFAOYSA-N 369.808 4.070 0 40 FIAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1 958158 YHZHGCCHKWMGHF-VQHVLOKHSA-N 350.201 4.189 0 40 FIAB CCCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc(C)c1C 23363227 ISXGSPJXLXEGQK-CQSZACIVSA-N 356.495 4.390 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2[nH]1 12563586 BJXSZBUBYMXCPA-UHFFFAOYSA-N 361.854 4.264 0 40 FIAB Cc1ccc(NC(=O)CN2CCC[C@H](c3nc4ccccc4o3)C2)cc1C 24662530 KKBREBAHSAMIGR-KRWDZBQOSA-N 363.461 4.263 0 40 FIAB Cc1cc(-c2noc(-c3cc4ccccc4oc3=O)n2)c2ccccc2n1 1426596 XHFVIGYGPLBXED-UHFFFAOYSA-N 355.353 4.367 0 40 FIAB O=C(COc1ncnc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 3276990 WMAMFCNAQLUJRW-UHFFFAOYSA-N 371.396 4.440 0 40 FIAB Cc1nc(COc2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2)cs1 25768706 OUHPTUXLJWNCEA-UHFFFAOYSA-N 371.487 4.228 0 40 FIAB CN1C(=O)COc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc21 28403955 ORDZMGAPEZERPN-UHFFFAOYSA-N 372.833 4.162 0 40 FIAB Cc1nc2cc(C(=O)NOCc3ccccc3)ccc2n1-c1ccccc1 10271676 TYKXJBCQNAKMTF-UHFFFAOYSA-N 357.413 4.196 0 40 FIAB CCn1c(SCc2cccs2)nnc(Nc2ccc(C)cc2)c1=O 28538081 GKFFGJBZMHJHTD-UHFFFAOYSA-N 358.492 4.064 0 40 FIAB Cc1cccc2nc(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)cn12 58295078 UOELIBFMPSFDSD-UHFFFAOYSA-N 362.364 4.221 0 40 FIAB COc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)c(OC)c1OC 3343875 HAAPDBSLXADQND-UHFFFAOYSA-N 371.216 4.376 0 40 FIAB CCCCOc1cc(S(=O)(=O)Nc2ncccc2C)ccc1Cl 27823876 NWUZZMFUWXCIRN-UHFFFAOYSA-N 354.859 4.023 0 40 FIAB Cc1nn(-c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)c(C)c1Cl 3356456 WDMDQLWYRIIVAJ-UHFFFAOYSA-N 369.808 4.124 0 40 FIAB C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 3342162 OJBNXOVPWVCRDV-JTQLQIEISA-N 355.287 4.029 0 40 FIAB COc1cc(C(=O)Nc2nc(C)cs2)ccc1OCc1ccccc1 3346945 BDFGCAALRHRLSO-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)NCc2cccs2)c1 10879982 ALKYCIPBLATKPO-OAHLLOKOSA-N 371.531 4.348 0 40 FIAB Cc1c(C[C@H](C)O)c(=O)oc2cc(OCc3ccccc3)c(Cl)cc12 2369792 NHJKNVYYFBVHKO-LBPRGKRZSA-N 358.821 4.257 0 40 FIAB O=C(Nc1ccc(CNC(=O)c2cc3c(s2)CCC3)cc1)c1ccco1 11146493 HYOBIAVKARHRQV-UHFFFAOYSA-N 366.442 4.012 0 40 FIAB CCCCCCNc1nc2sc3c(c2c2ncnn12)CC(C)(C)OC3 2404739 SZELUGWNXJJFRN-UHFFFAOYSA-N 359.499 4.183 0 40 FIAB CC(C)[C@@H](C)NC(=O)COc1ccc2cc(Br)ccc2c1 3453040 APFWJNRVGYXOMK-GFCCVEGCSA-N 350.256 4.142 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)sc1Cl 8746939 WFPUUPBTQHWSMD-UHFFFAOYSA-N 357.262 4.144 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O[C@@H]2CCCC2=O)cc1 3561020 NDMRCIIWAYIWHP-HXUWFJFHSA-N 360.413 4.126 0 40 FIAB CCCC[C@@H](C(=O)Nc1c(C)cccc1C)N1C(=O)c2ccccc2C1=O 4104118 ILQQGTPXINJOEU-SFHVURJKSA-N 364.445 4.097 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 61997314 LQCBUKNQAZJIHL-HXUWFJFHSA-N 350.462 4.109 0 40 FIAB CCOc1ccc(NC(=O)CN(Cc2ccccc2)C(C)C)cc1OCC 24840324 RODRGIYOQFPXHQ-UHFFFAOYSA-N 370.493 4.333 0 40 FIAB CCc1ccccc1NC(=O)CSc1nccn1-c1cccc(F)c1 5263613 UXUCTDPEBNJLCF-UHFFFAOYSA-N 355.438 4.305 0 40 FIAB CCOc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 6340747 KCWRGKOZZJHZOD-UHFFFAOYSA-N 368.477 4.141 0 40 FIAB CC(C)(C)C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4555176 YNDJMRRLJRVEPT-OAQYLSRUSA-N 371.864 4.080 0 40 FIAB COc1cc(C(=O)N2CCCSc3ccccc32)ccc1OC(F)F 14240196 CAAIYGXOAPUBLJ-UHFFFAOYSA-N 365.401 4.439 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1C 5401580 DMCKJLSNLGOCLM-CQSZACIVSA-N 370.522 4.077 0 40 FIAB Cc1cccc2cc3c(NC(=O)c4ccccn4)nn(CC(C)C)c3nc12 5478382 YPJJZYRDULQJSO-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB CN1C(=S)S[C@H](N(O)C(=O)Nc2cccc3ccccc23)C1(C)C 4795237 PPXDDSODTJMVDB-AWEZNQCLSA-N 361.492 4.131 0 40 FIAB Fc1ccc(-c2nnn3c2nc(NCc2ccccn2)c2ccccc23)cc1 67261424 YQCACENJAZVQED-UHFFFAOYSA-N 370.391 4.091 0 40 FIAB CSCCc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)cc1 67854672 FCCLWTWRLDTAKY-UHFFFAOYSA-N 351.475 4.339 0 40 FIAB CC(C)n1c(CCNC(=O)COc2ccc(Cl)cc2)nc2ccccc21 71482892 VNVOMYOZXWMPBG-UHFFFAOYSA-N 371.868 4.008 0 40 FIAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccccc12 16640544 RTRNRNOLTGEJBA-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB CCCC(=O)Nc1ccc(C(=O)Nc2nnc(C(CC)CC)s2)cc1 27698796 XXUITNWQICMQIC-UHFFFAOYSA-N 360.483 4.433 0 40 FIAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2OC)s1 17208691 WKUOAULFFPWXNY-CQSZACIVSA-N 353.447 4.341 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)c(C)n1C1CC1 84079542 INKGBSURASVEDG-IYBDPMFKSA-N 367.493 4.306 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N2CCOC2=O)cc1 78648471 AKSUGQMPERVHEX-UHFFFAOYSA-N 373.412 4.266 0 40 FIAB COc1ccc(C)cc1CC(=O)Nc1ccccc1CC(=O)OC(C)(C)C 72305535 ZNTMVPIVDQLHMU-UHFFFAOYSA-N 369.461 4.069 0 40 FIAB CC1(C)CN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)C1(C)C 79912338 KGLNFOMMJCUMFR-UHFFFAOYSA-N 372.490 4.343 0 40 FIAB Clc1cccc(NCc2ccn(C3CCCC3)n2)c1N1CCOCC1 95966858 WXLKVRSUMAVTTN-UHFFFAOYSA-N 360.889 4.100 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1 24189511 IURKTFBAYFSEFG-QGZVFWFLSA-N 354.519 4.079 0 40 FIAB Cc1ccc(-c2cnc3n2C2(CCN(C4CCCC4)CC2)COC3)cc1 306141310 VRPVPFWLWOVMMS-UHFFFAOYSA-N 351.494 4.122 0 40 FIAB COC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccs1 24840453 UVXMDWHJTXANBI-CYBMUJFWSA-N 372.273 4.018 0 40 FIAB O=C(Nc1nc(O)c2ccccc2n1)[C@H]1C[C@H]1c1ccc2ccccc2c1 521332900 SLYHYSVDXFLCCA-ROUUACIJSA-N 355.397 4.231 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1 38756583 QFEKACPFCKCYED-SFHVURJKSA-N 355.434 4.276 0 40 FIAB Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1ccccc1Cl 32530630 WGFZTCBZRYBHIV-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB O=C(O)c1cc(Br)c2[nH]c(-c3cccc(Cl)c3)nc2c1 216922074 HGDOYIDRIMVYAI-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB CCCc1c(NCc2nnc(C)n2CCC)cnn1-c1ccccc1C 562505797 PEMZLQLCSFIOEV-UHFFFAOYSA-N 352.486 4.055 0 40 FIAB CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccco2)cc1OCC 40159923 FSLRTMDENPIELS-UHFFFAOYSA-N 351.830 4.393 0 40 FIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOC)nc1C 225908362 NTOKSRDEXFXHKR-FQEVSTJZSA-N 366.502 4.119 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCC1 225706741 GZKIRXFLNCXRIA-GOSISDBHSA-N 374.525 4.085 0 40 FIAB COc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1Cl 225180047 FPVUVDZLNSPMOQ-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB O=C(NCc1cccn1-c1ccccc1)c1ccc2oc(Cl)nc2c1 225984485 ZRHWYGPHBPTPII-UHFFFAOYSA-N 351.793 4.202 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1C 224427655 SXFNWZFHRNWXBC-OALUTQOASA-N 366.465 4.045 0 40 FIAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1cc(C)ccc1C 226103843 PVUGFZZMIRAPAN-UHFFFAOYSA-N 362.433 4.263 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225510462 RDFIUSIESXLSRL-UHFFFAOYSA-N 353.462 4.471 0 40 FIAB Cc1cc(Br)cnc1NC(=O)Cc1cccc2ccccc12 226864528 UDXLVAACXRUIMT-UHFFFAOYSA-N 355.235 4.487 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cccc(C(=O)OC)c2C)cc1 222884628 BZXRMHIZIAWMBR-IBGZPJMESA-N 355.434 4.140 0 40 FIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225691120 OLTCOKBYDQFFSW-SFHVURJKSA-N 357.878 4.145 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccccc3Cl)n2)c1 220021061 KTLVMHGOXAHAAD-UHFFFAOYSA-N 369.852 4.290 0 40 FIAB Cc1ccc(C)c(N(C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1 40967131 MAWDPOZQRXYEOW-UHFFFAOYSA-N 365.454 4.339 0 40 FIAB CCCOc1ccccc1CCCNC(=O)COc1ccc(C)cc1C 222828563 FUYZKJFYVZUPED-UHFFFAOYSA-N 355.478 4.220 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 225718182 RFNNUUALHKBBIZ-MRXNPFEDSA-N 360.479 4.150 0 40 FIAB CC[C@H](C)n1ncc(NC(=O)N2CCCC[C@@H]2c2nccn2CC)c1C 331621487 NJYIWCPHQVMIOD-WMLDXEAASA-N 358.490 4.138 0 40 FIAB C[C@H]1CN(Cc2nccc(Cl)c2Cl)c2ccccc2N(C)C1=O 1652711915 ZGHSBBYYCOIPTK-NSHDSACASA-N 350.249 4.008 0 40 FIAB CCCO[C@H]1CCCN(C(=O)c2ccc(Nc3cccnc3)cc2)CC1 668461299 PNXMQQHYWXMGGC-FQEVSTJZSA-N 353.466 4.247 0 40 FIAB CCCCc1nnc(NC(=O)c2cccc(Oc3ccccn3)c2)s1 96122624 GMRNIQCNJCCNFQ-UHFFFAOYSA-N 354.435 4.320 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)nc1 1615127540 RINLMHGEVPYWAV-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)c1ccc(N)cc1 16780018 RSBNWWOTRHKMFL-AWEZNQCLSA-N 374.440 4.124 0 40 FIAB COc1ccc([C@@H]2C[C@H]3NC(=O)CCC[C@@H]3N2CC2CCCCC2)cc1 19713475 SOWSPXDRSCRGNU-HKBOAZHASA-N 356.510 4.060 0 40 FIAB Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1 226299637 KNVRPUWTKPBMDH-UHFFFAOYSA-N 365.289 4.182 0 40 FIAB NNc1nc2c(Cl)cc(NC(=O)c3ccc(Cl)cc3)cc2s1 226310256 HPMBNADMNFAQFI-UHFFFAOYSA-N 353.234 4.141 0 40 FIAB COc1cc(/C=C/c2nnc(N)o2)ccc1OCc1ccc(Cl)cc1 226338556 JFRAJHORYWLVPN-WEVVVXLNSA-N 357.797 4.063 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1C 27893765 HFIBYWVIWWZDCM-YJBOKZPZSA-N 356.491 4.147 0 40 FIAB O=C(N1CC[C@H](Oc2ccccn2)C1)N(c1ccccc1)c1ccccc1 238883114 PPGUHXKECPLRMZ-FQEVSTJZSA-N 359.429 4.493 0 40 FIAB O=C(c1cccs1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408603863 BVQKRDUPRQJRHQ-UHFFFAOYSA-N 354.519 4.267 0 40 FIAB Cc1csc2nc(-c3ccc(NC(=O)COc4ccccc4)cc3)cn12 4249071 BIFWDAFCQABTBC-UHFFFAOYSA-N 363.442 4.389 0 40 FIAB Cc1ccc(NC(=O)CSc2ccc(-c3ccncc3)nn2)cc1Cl 4392100 XRHJLTVHZJNLKC-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB O=C1C[C@H](c2noc(-c3ccccc3F)n2)CN1c1ccc(Cl)cc1 44421687 QQXYUAJYYJXSIB-NSHDSACASA-N 357.772 4.050 0 40 FIAB COc1ccc2cc(CNC(=O)N[C@@H](C)c3ccccc3OC)ccc2c1 10495547 CBPLMFLMLWEMCV-HNNXBMFYSA-N 364.445 4.417 0 40 FIAB Cc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 40086427 RDTUAVRSJFZTEP-FQEVSTJZSA-N 360.461 4.439 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1N1CCCC1=O 40104202 PRMFBNQEPDYIAB-UHFFFAOYSA-N 355.413 4.007 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2F)c(OC)c1 40268206 GRXROKOCDPKUKQ-AWEZNQCLSA-N 367.380 4.152 0 40 FIAB COC(=O)c1ccc(Nc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 1291027 JNVDPQCWKOAQKW-NSHDSACASA-N 353.447 4.346 0 40 FIAB O=C1[C@@H]2CS[C@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)cc1 1443299 VXPKRYQJIBJFDE-GOEBONIOSA-N 362.813 4.062 0 40 FIAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1459931 VDHBCCUCEVUPTG-QGZVFWFLSA-N 366.461 4.200 0 40 FIAB CCCCCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 2677963 KUXWKBPSPIVPKT-RGEXLXHISA-N 364.470 4.026 0 40 FIAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)cc1 3203885 HJNSFDAAXUEJFI-UHFFFAOYSA-N 371.502 4.337 0 40 FIAB Cc1noc(C)c1COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3270972 WUNIGHRIAUFTCT-UHFFFAOYSA-N 367.430 4.357 0 40 FIAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cc(Cl)ccc1Cl 4275964 SVUXPQTZPVPUQS-UHFFFAOYSA-N 352.152 4.435 0 40 FIAB CCOc1ccccc1CN1CCC(N2CCc3ccccc3C2)CC1 4744584 IQGVPAYVSGDVLW-UHFFFAOYSA-N 350.506 4.108 0 40 FIAB CCCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 4861135 UOTWQMQGMLIBKW-UHFFFAOYSA-N 374.441 4.208 0 40 FIAB CCCCCCC(=O)N1CCC[C@H](c2nc(-c3ccc(OC)cc3)no2)C1 4890173 TWKSZHAPXNHITR-KRWDZBQOSA-N 371.481 4.422 0 40 FIAB Cc1csc(NC(=O)CSc2ccc(-c3ccc(C)c(C)c3)nn2)n1 5410909 IFFWCOYXJYULFF-UHFFFAOYSA-N 370.503 4.256 0 40 FIAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1=O 5440374 POOHXRQKFYEPNK-UHFFFAOYSA-N 366.461 4.372 0 40 FIAB CCc1s/c(=N\c2ccc3ccccc3c2)n(C(C)=O)c1OC(C)=O 5553115 VJTWNSRXZZVWIZ-VXPUYCOJSA-N 354.431 4.083 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1 5579096 XXAOMVMYCJTEOB-UHFFFAOYSA-N 353.443 4.138 0 40 FIAB CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(OC)cc1 5851960 RPWZWFZQLBNALR-UHFFFAOYSA-N 355.463 4.275 0 40 FIAB Cc1cc(SCC(=O)Nc2cccnc2)c(C)cc1Br 5934213 QPERVPQOCPQJLB-UHFFFAOYSA-N 351.269 4.192 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc2ccccc2o1 6060995 BKBFQMNSRMCPKG-HUUCEWRRSA-N 354.475 4.446 0 40 FIAB O=C(NCc1cn2cc(Cl)ccc2n1)c1c(Cl)cccc1Cl 6567041 LUGCKKSOFCNHSF-UHFFFAOYSA-N 354.624 4.225 0 40 FIAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc(F)c2)cc1 7178384 SOTSGAKHOCMXHH-CYBMUJFWSA-N 371.437 4.139 0 40 FIAB Cc1cccc(N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)c1C 7518524 IHDZVMALBPYMIW-UHFFFAOYSA-N 359.926 4.476 0 40 FIAB CCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 7702295 VPTIHQJNXLATOM-IBGZPJMESA-N 357.500 4.378 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 7960855 YAFMERQQSWBPCI-UHFFFAOYSA-N 366.392 4.105 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1C 8040714 XCTNRFLGTWOMRM-GOSISDBHSA-N 373.518 4.211 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 8289473 WPAQKAJPKAUUBS-UHFFFAOYSA-N 372.273 4.104 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2cccc(C(=O)O)c2C)cc1Cl 8909905 BAWVAYUFQBDHQG-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1csc2ccccc12 9051366 LHRPAAFQPUDFLX-UHFFFAOYSA-N 368.458 4.011 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 9062976 WPMJWJOFZGFOEN-HXUWFJFHSA-N 364.533 4.345 0 40 FIAB COc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C(C)C)CC2)C(C)C)cc1 9195273 AVEYXRVIINLYAM-UHYCVJNDSA-N 374.525 4.237 0 40 FIAB Cc1cc(C)cc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)c1 9573807 UXCOQJGKMCAVOC-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2NC1=O 9885409 KPUJGAWASUTKFV-VIFPVBQESA-N 366.364 4.390 0 40 FIAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C)CC2)cc1C 10214279 LTDNHEONAPFICU-OAQYLSRUSA-N 361.489 4.269 0 40 FIAB Cc1ccccc1C(=O)N(C)c1ccccc1C(=O)NCCc1ccccc1 12293623 SLAMPYLJDYZUPR-UHFFFAOYSA-N 372.468 4.244 0 40 FIAB COc1ccccc1-c1nnc2ccc(Oc3ccc(SC)cc3)nn12 12406503 QWWDZRVMHCYJOS-UHFFFAOYSA-N 364.430 4.314 0 40 FIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1c(F)cccc1F 12533521 QUIHVTBTVCITQW-UHFFFAOYSA-N 353.781 4.225 0 40 FIAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 12550543 LKNQTTGLNBTCAR-CYBMUJFWSA-N 359.351 4.382 0 40 FIAB COc1ccc(-c2noc(CN3CCCc4cc(C)ccc43)n2)cc1OC 12561716 PHERHGBAIGFKAB-UHFFFAOYSA-N 365.433 4.015 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1nc2ccccc2s1 12850788 DQQJAKPJPWDPRG-UHFFFAOYSA-N 350.443 4.387 0 40 FIAB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCc2ccccc21 12928720 BPRPVFMLQXVOGH-UHFFFAOYSA-N 363.438 4.389 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)ccc21 13253434 LKDILFQDXLKRLR-SJORKVTESA-N 362.429 4.420 0 40 FIAB COC(=O)c1cccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c1 15838577 FXFBHFNRZRORPW-UHFFFAOYSA-N 355.777 4.055 0 40 FIAB CCOc1cc(/C=C/C(=O)Nc2cccc(OC)c2)cc(Cl)c1OC 16029358 RENXJUVZTYNZIV-CMDGGOBGSA-N 361.825 4.408 0 40 FIAB COc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1 16598108 ZZHQKFGQTJVUQS-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB O=S(=O)(Nc1ccccc1OC(F)(F)F)c1cccc(Cl)c1 16730458 FEELVZABGNYMMN-UHFFFAOYSA-N 351.733 4.039 0 40 FIAB Cc1ccc(O[C@@H](C)c2nn3c(=O)c4ccccc4nc3s2)c(C)c1 17072918 CBHFWAZWHBUCFN-ZDUSSCGKSA-N 351.431 4.061 0 40 FIAB Cc1cc(-c2cnc(NCCc3ccc(F)cc3)nc2[C@@H]2CCCO2)on1 19122683 FGXCBQZZZQDGBI-KRWDZBQOSA-N 368.412 4.085 0 40 FIAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(Cc3cccc(C)c3)CC[C@@H]21 19235059 HDNJEGXDLQFOOH-HJOGWXRNSA-N 362.517 4.140 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CSCc2ccc(C)cc2)cc1OC 19933633 JKTAZOORRZTIFX-OAHLLOKOSA-N 359.491 4.123 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)c2ccc(I)cc2)cc1 20493092 SLVQQDUKILLWEK-GFCCVEGCSA-N 365.214 4.091 0 40 FIAB Cc1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(C)c3)C2=O)cc1 21147487 WYYWTNRXXNWLAO-UHFFFAOYSA-N 360.457 4.436 0 40 FIAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OC)c1 26771480 RKEPOJCAYJBOAL-BOPFTXTBSA-N 355.415 4.335 0 40 FIAB O=C(CSCc1nc2ccccc2s1)NCCc1ccccc1F 32484319 MDRFUKNJIKMNAA-UHFFFAOYSA-N 360.479 4.028 0 40 FIAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCCOc1ccc(Cl)cc1 32862533 NEODUEDGILOUIR-CQSZACIVSA-N 362.857 4.096 0 40 FIAB CNC(=O)Nc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 32903296 GAXQQPAIMFVZCO-KRWDZBQOSA-N 359.857 4.470 0 40 FIAB CCOc1cc(C(=S)N2CCCC2)cc(Br)c1OCC 33608142 FIEDHIAEJRGCRW-UHFFFAOYSA-N 358.301 4.018 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)NCC(C)(C)c3ccccc3F)cc2)n1 35322625 YBUPFGFFHHQRQQ-UHFFFAOYSA-N 365.452 4.336 0 40 FIAB CN(C)c1cccc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1 36759404 LTKXCLYLPFMAGS-UHFFFAOYSA-N 351.372 4.090 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(Br)s1 40218592 MIFHZQOGIZSKAQ-UHFFFAOYSA-N 364.224 4.121 0 40 FIAB NC(=O)N[C@@H](CC(=O)Nc1ccccc1-c1ccccc1)c1cccs1 42065481 CGAZOGQFDBOXIZ-KRWDZBQOSA-N 365.458 4.153 0 40 FIAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(c4ccc(F)cc4)CC3)o2)cc1 57290011 PXZXJABWNQUMET-MRXNPFEDSA-N 366.440 4.067 0 40 FIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CN[C@@H](C)c1ccccc1 57322906 CESVJSFVEKBZJB-ZDUSSCGKSA-N 372.490 4.092 0 40 FIAB Cc1ccc(CN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C2CC2)cc1 58434311 SBZIRNAZGOVLQC-UHFFFAOYSA-N 365.458 4.111 0 40 FIAB CN(C[C@@H]1CCCN(c2nc3ccccc3s2)C1)C(=O)OC(C)(C)C 59949644 JYIYRNZIKPAVEP-AWEZNQCLSA-N 361.511 4.380 0 40 FIAB CSc1ccccc1NC(=O)C1CN(c2nc3ccccc3s2)C1 62023098 KMGUVOVOSJCAQC-UHFFFAOYSA-N 355.488 4.093 0 40 FIAB CCCCOc1ccc(-c2cc3c4nnc(SCC)n4ccn3n2)cc1 67260660 ZYGWWLYCWJDAMN-UHFFFAOYSA-N 367.478 4.335 0 40 FIAB CCc1ccc2[nH]cc(C(=O)c3cccc(Br)c3)c(=O)c2c1 67340953 VLZKJZJWDVBVLU-UHFFFAOYSA-N 356.219 4.084 0 40 FIAB CCCN(C)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 69351968 MFZABQXNOQJUFC-UHFFFAOYSA-N 371.506 4.397 0 40 FIAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(OC(C)C)cc2)cc1 72329198 BXOZBWVKNUNMMX-UHFFFAOYSA-N 363.461 4.356 0 40 FIAB c1ccc(CCCN2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377922 YVTAZAVZNWJBQM-HXUWFJFHSA-N 374.492 4.170 0 40 FIAB CN(C(=O)Nc1ccccc1C(F)(F)F)[C@H](CCO)c1ccccc1 76089432 MRYBASAKGJVDSS-MRXNPFEDSA-N 352.356 4.293 0 40 FIAB CC(C)CCOc1ccc(C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)cc1 79104866 HYCLGPNZENOKMN-GHTZIAJQSA-N 369.505 4.396 0 40 FIAB O=C(CCn1ccc2ccc(Cl)cc21)NC[C@@H]1CCCN2CCCC[C@H]12 79192477 ZSHIVKAYJWYOFH-PKOBYXMFSA-N 373.928 4.066 0 40 FIAB biogenic C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2C1=CC(=O)OC1 79669778 SNNJOYYRZHOKFM-GYLGPSAYSA-N 358.522 4.489 0 40 FIAB Cc1nc(C)c(-c2nnc(NC(=O)c3ccc(OCC(C)C)cc3)o2)s1 80345703 HWQWHWFTEPDFKO-UHFFFAOYSA-N 372.450 4.097 0 40 FIAB Clc1nc2ccc(I)cc2cc1Br 95098179 ARRIKXFZJXXELM-UHFFFAOYSA-N 368.399 4.255 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 95381812 ILAKTEJJRQOJOZ-JTQLQIEISA-N 374.897 4.305 0 40 FIAB Oc1nc(/C(Cl)=C\c2ccc3c(c2)OCO3)nc2cc(Cl)ccc12 96792892 CZARUJSATHLRMN-LFYBBSHMSA-N 361.184 4.454 0 40 FIAB Fc1ccccc1Nc1nc2nonc2nc1Nc1cccc(Cl)c1 98086415 UTISSBOOFAYZLY-UHFFFAOYSA-N 356.748 4.293 0 40 FIAB COc1cccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3nnnc3N2)c1 100952243 QSTCFSNDSJCNBO-INIZCTEOSA-N 374.231 4.045 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)NCc2cc(C(C)C)no2)cc1 114534646 JWIPLBZUQVUYHK-IBGZPJMESA-N 357.454 4.243 0 40 FIAB O=C(CSCc1ccccc1)NCc1cncc(-c2ccsc2)c1 206943856 ZHNSDYFHUSGPQS-UHFFFAOYSA-N 354.500 4.360 0 40 FIAB Cc1cc(OCC(=O)NCCCc2ccc(Cl)cc2)ccc1Cl 218938449 GAZGEAHISGADNP-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2cccc(OC)c2)cc1 222892373 ACZYEUTYZZSHFK-OAQYLSRUSA-N 355.478 4.164 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 223107936 YZVGUNNTTQBOGZ-UHFFFAOYSA-N 354.189 4.041 0 40 FIAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1C(C)C 223290897 LWOXGJBYNNDUPR-VFNWGFHPSA-N 369.461 4.144 0 40 FIAB CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223663796 MJOGXVXCDYZFQU-UHFFFAOYSA-N 363.504 4.313 0 40 FIAB CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225193300 OXEKLMVVWOOVTO-HXUWFJFHSA-N 371.477 4.439 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)OCC1(CC1)CO2 225364992 CFDLTKYUOUICBG-UHFFFAOYSA-N 374.234 4.253 0 40 FIAB O=C(NC[C@@H](O)c1csc2ccccc12)c1ccccc1C(F)(F)F 225693375 XRFYCWPVILXCCC-OAHLLOKOSA-N 365.376 4.384 0 40 FIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225703509 QOLIKGFEMOBGJA-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1ccc(Cl)c(Cl)c1 225750218 HVHMRWYOBXYRDU-UHFFFAOYSA-N 365.191 4.086 0 40 FIAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccccc1 226337948 VVEYLBLDHPUPCP-BQYQJAHWSA-N 357.797 4.063 0 40 FIAB CCOc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409007966 SYTKKTZKNGAJPB-JXAWBTAJSA-N 353.443 4.364 0 40 FIAB O=C(c1ccccc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 519326604 FQZUQFOMCFMWIO-MRXNPFEDSA-N 354.208 4.346 0 40 FIAB CNC(=O)c1ccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 526052221 FZAGGBSGNXEUMJ-UHFFFAOYSA-N 356.809 4.315 0 40 FIAB O=C(NCc1ccc(C2CCCCC2)cc1)c1cn(Cc2ccccc2)nn1 1129181479 WWZSQMYTJBJNEY-UHFFFAOYSA-N 374.488 4.304 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2C)o1 869051 UQFCYHNFKODXLV-AWEZNQCLSA-N 353.447 4.473 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1F)OCO3 930035 CLMYTFKIFWEFAP-UHFFFAOYSA-N 355.390 4.386 0 40 FIAB CCOC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 1381413 SFMFCHWZHHRFGF-UHFFFAOYSA-N 360.866 4.393 0 40 FIAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 6422954 CVCRFWIXELNVOG-UHFFFAOYSA-N 358.772 4.486 0 40 FIAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 2620440 FQYWPKOLYKNYCK-NRFANRHFSA-N 364.832 4.460 0 40 FIAB CC(C)c1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1 6767736 GVKCAVWISQABPN-UHFFFAOYSA-N 367.522 4.058 0 40 FIAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 6959434 RIZXDGXREDYIKY-UHFFFAOYSA-N 368.216 4.222 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7882241 QVBHFXVPTLOISZ-MRXNPFEDSA-N 370.880 4.456 0 40 FIAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c1 7928911 KTEHBNQJLRTPSC-LJQANCHMSA-N 359.425 4.415 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)CCO2 32787433 IPYTXAZYGXDDKZ-SNVBAGLBSA-N 352.217 4.334 0 40 FIAB CC(C)[C@H](C(=O)Nc1ccc(OC(F)F)cc1)n1cnc2ccccc21 32932063 UWHTTZUONMUKHY-QGZVFWFLSA-N 359.376 4.474 0 40 FIAB COc1ccc(CCn2cnc3scc(-c4ccccc4)c3c2=O)cc1 21790193 MYOZQYAVDWWCIL-UHFFFAOYSA-N 362.454 4.376 0 40 FIAB COc1cc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc(OC)c1OC 102731071 ZVWDJIGNULNIEQ-QGZVFWFLSA-N 370.405 4.223 0 40 FIAB O=C(CCC(=O)N1CCCCC[C@H]1c1ccncc1)c1ccc(F)cc1 58260723 OMMTYFYEQNEPES-IBGZPJMESA-N 354.425 4.328 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1 12284441 LJZBYPVJZDMCPO-INIZCTEOSA-N 358.869 4.070 0 40 FIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Br)cc1 20138283 DBSKDZBXYOTZSZ-UHFFFAOYSA-N 372.218 4.454 0 40 FIAB O=[S@](CCSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 47221575 BKPIBJJLXSUSIB-VWLOTQADSA-N 369.471 4.118 0 40 FIAB CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccccc1 23182556 XPRRJJDXSXLYTE-YADHBBJMSA-N 368.521 4.388 0 40 FIAB FC(F)(F)c1ccc(N/N=C/c2ccc(Br)s2)nc1 57610879 BVZBTDKLWXOMMV-UBKPWBPPSA-N 350.163 4.370 0 40 FIAB Cc1c(NC(=O)c2cc(Br)ccc2Cl)cccc1C(=O)O 20138468 PNFYVDXCIFABAO-UHFFFAOYSA-N 368.614 4.361 0 40 FIAB CC[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCCC1 24798344 PNMMOIBNCCQDEG-GFCCVEGCSA-N 354.878 4.298 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 12525889 KPVWGFCOBVZSIQ-UHFFFAOYSA-N 359.447 4.011 0 40 FIAB CCCN(C)c1ccc(C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)cc1 58161620 PWTWGUYKRPCNTI-OVCLIPMQSA-N 366.461 4.361 0 40 FIAB O=C(O)[C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 108654952 OUSSJHVPDFGCHC-VQTJNVASSA-N 351.446 4.106 0 40 FIAB COc1ccc(SCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OC 20459998 VYYKYWXRUZOBMH-HNNXBMFYSA-N 359.491 4.290 0 40 FIAB O=C1CN(C(=O)C2CCCC2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28047922 PFJURTWSSZBWBD-FQEVSTJZSA-N 368.864 4.400 0 40 FIAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2CCCCC2)c1 12682900 ZAYDWSLJALWVIL-UHFFFAOYSA-N 372.490 4.031 0 40 FIAB CCOC(=O)c1c(CSCCN(CC)CC)oc2ccc(OC)cc12 2208161 CORPGBHJCUPYKW-UHFFFAOYSA-N 365.495 4.193 0 40 FIAB CCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3ccccc3nc21 2397727 AUUMPQSTTPCNDV-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 3344224 DFUNAFNFAOIQED-UHFFFAOYSA-N 362.882 4.151 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)N[C@H](C)c3ccc(F)c(F)c3)o2)cc1 12752510 HQSXZEGTQJDMCW-CYBMUJFWSA-N 371.387 4.133 0 40 FIAB CCc1ccc([C@H](C)NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1 12760248 DHXSJHBQROIDPE-KBPBESRZSA-N 369.436 4.334 0 40 FIAB COc1ccc(CN(C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1F 12779408 ZSCGXVRKWHICFD-AWEZNQCLSA-N 355.413 4.386 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 12872538 UYFSUUVQTLUSHN-SFHVURJKSA-N 356.853 4.282 0 40 FIAB COc1ccc(OCC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 3560652 OVXCKXQOQMCOGH-UHFFFAOYSA-N 354.431 4.204 0 40 FIAB C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-n2cncn2)cc1 12938574 ROLOSHYMMOJMRO-NSHDSACASA-N 361.232 4.065 0 40 FIAB O=Cc1cc(Cl)c(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 20393494 YJURLLYCRQKSEJ-UHFFFAOYSA-N 358.608 4.477 0 40 FIAB Clc1ccc(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)cc1 5163318 DZKYPXYFGVSFEX-UHFFFAOYSA-N 352.829 4.164 0 40 FIAB COc1cc(CNCc2cccnc2)ccc1OCc1ccccc1F 4450523 VSZLXTUZWVYMMQ-UHFFFAOYSA-N 352.409 4.098 0 40 FIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCCC2)cc1 14086500 ZACPPSLPYDAHDN-UHFFFAOYSA-N 364.367 4.433 0 40 FIAB Cc1cc(NC(=O)[C@H](C)SCc2ccccc2Br)no1 8719587 GHWYHBATWYMJLU-JTQLQIEISA-N 355.257 4.006 0 40 FIAB C[C@@H](CNC(=O)Nc1ccc(F)cc1)c1nc2ccccc2n1C(F)F 8778878 WJHOJKIAAVDMFB-NSHDSACASA-N 362.355 4.496 0 40 FIAB COCCNC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 5570001 BUVVMRZTPSHYOL-UHFFFAOYSA-N 352.406 4.121 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C)n2)cc1 6811718 GBDQRJZRTXQNTO-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(C)c3)n2)cc1 5867457 NWNZZSSFOUYQPL-CQSZACIVSA-N 352.463 4.208 0 40 FIAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 5917030 GBGRFKCMECESHU-NSHDSACASA-N 360.479 4.233 0 40 FIAB COc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886094 PSVQPIRPZMVSCX-QGZVFWFLSA-N 373.250 4.187 0 40 FIAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc2ccccc2c1 7814285 OPACTHGJHXVRQO-UHFFFAOYSA-N 368.483 4.270 0 40 FIAB c1ccc(-n2nc(Sc3ncnc4sccc34)nc2C2CC2)cc1 8039435 JLJYRGACIDIONM-UHFFFAOYSA-N 351.460 4.301 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)c1cccc[n+]1[O-] 68929659 HFQFQECJDKOJTG-UHFFFAOYSA-N 374.318 4.383 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nncn1-c1ccccc1C)c1ccccc1 9322693 XGKBABCBBKFVOJ-MRXNPFEDSA-N 366.490 4.109 0 40 FIAB Cc1ccc2c(CC(=O)Nc3ccc4c(c3)OCCCO4)coc2c1C 9640634 PWWREXVTTZWPDL-UHFFFAOYSA-N 351.402 4.392 0 40 FIAB Cc1ccc([C@@H]2CSCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 84148756 MZADUVRXPKIXIK-KRWDZBQOSA-N 370.474 4.088 0 40 FIAB O=C(N[C@@H](c1nccs1)C1CC1)c1ccc2c(c1)C(=O)c1ccccc1-2 76040981 TUCMIAXMSGWFCQ-GOSISDBHSA-N 360.438 4.236 0 40 FIAB Cc1cc(NC(=O)[C@](C)(O)c2cccc(F)c2)ccc1Oc1cccnc1 76017749 BZXKMZPNURFHFL-OAQYLSRUSA-N 366.392 4.168 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccccc1C(F)(F)F 84660515 VDCFPMKPHOECGZ-RISCZKNCSA-N 369.412 4.008 0 40 FIAB CN(C(=O)N[C@@H]1CCOc2ccccc21)[C@@H](c1ccccc1)c1ccccn1 89310280 MIEMVJPJGFROCY-KNQAVFIVSA-N 373.456 4.336 0 40 FIAB Cc1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)n1C1CC1 9984688 KPRACOCSBRVSPA-UHFFFAOYSA-N 372.494 4.093 0 40 FIAB C[C@H](Sc1nnc2n1CCCCC2)c1nnc(-c2ccc(F)cc2)o1 9992977 CDOWBRMYOWGVIW-NSHDSACASA-N 359.430 4.047 0 40 FIAB Cn1c(SCc2ccc(Cl)c3cccnc23)nnc1C(F)(F)F 31650573 BZYIOVDSTHJPJO-UHFFFAOYSA-N 358.776 4.328 0 40 FIAB O=C(NCCOC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 35585797 QYMLYHDGURHRKJ-UHFFFAOYSA-N 368.220 4.364 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408640811 JXGBPPOBNIGOPB-GOSISDBHSA-N 358.441 4.394 0 40 FIAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1cccc(Br)c1 30839919 PKJZBMXUNAYZIL-KGLIPLIRSA-N 362.267 4.232 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222796488 LXLYSMCFSCPNNX-RTBURBONSA-N 366.465 4.004 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C(=O)OCC 225816809 NPBVFWFHZPHTBC-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1C 224979590 LWGDVOMTTIWUHJ-UHFFFAOYSA-N 374.506 4.103 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(F)cc1C 225598502 YAWVCMMNZSUKBN-INIZCTEOSA-N 363.454 4.023 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108198 RBJKHUOYWVKCRI-INIZCTEOSA-N 374.437 4.018 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)cc3F)s2)cc1 225557103 RIGUQWADPUUEAM-UHFFFAOYSA-N 361.829 4.487 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1C 222835059 DAOOMTWHKORIBP-UHFFFAOYSA-N 363.413 4.342 0 40 FIAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1)C1CC1 225644627 QMDOHFNVBHNKGH-HTAPYJJXSA-N 374.525 4.084 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1 40913195 SMAPLIIGLOLNRJ-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@@H](O)CN1CCc3ccccc3C1)C2 226625452 ZDEGWONPYAWLCN-KGSLCBSSSA-N 357.538 4.027 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2CC)s1 223294105 RAQXJICAMJBHDM-NSHDSACASA-N 351.497 4.009 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(Cl)cc1 224421162 RRWXYSZCANINJR-HNNXBMFYSA-N 361.869 4.426 0 40 FIAB CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 222637095 CGVNTVHCYHUCNG-MRXNPFEDSA-N 366.870 4.016 0 40 FIAB COc1ccc(CC(=O)NCCCc2cccc(OC(C)C)c2)cc1C 225519718 LYFOFJFETYLAMP-UHFFFAOYSA-N 355.478 4.082 0 40 FIAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cnc2ccccc2n1 41317296 YICOHIHDVVCHSC-UHFFFAOYSA-N 368.368 4.284 0 40 FIAB O=C(c1ccc(-c2cccc(Cl)c2)s1)N1CCC[C@]2(CCNC2)C1 585089114 AUPBNVOFCISKPO-LJQANCHMSA-N 360.910 4.284 0 40 FIAB C[C@H](C(=O)Nc1c(-c2ccccc2)ncn1C)[C@@H]1OCCc2sccc21 585139596 FPFIOLWGALBMFG-UGSOOPFHSA-N 367.474 4.037 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 257283754 OZTBKIFIMHORHU-LJQANCHMSA-N 373.456 4.221 0 40 FIAB CC(C)n1ccc2c(NC(=O)NC[C@H]3COc4ccccc4O3)cccc21 604419298 MEOKKMMOINRITC-HNNXBMFYSA-N 365.433 4.184 0 40 FIAB Cc1cnc(CCNC(=O)Nc2cc(Cc3ccccn3)ccc2C)c(C)c1 654065828 HOIFBOFIMNIWKS-UHFFFAOYSA-N 374.488 4.357 0 40 FIAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccncc1 56498663 SOOXXCMJOZMPLR-UHFFFAOYSA-N 371.828 4.229 0 40 FIAB COc1ccccc1NC(=O)N1CCC(c2ccc3cccnc3n2)CC1 653914735 ZUJQTJQQZNZHMV-UHFFFAOYSA-N 362.433 4.050 0 40 FIAB CCOC(=O)c1c(C)n(CCOc2ccc(F)cc2)c2ccc(O)cc12 2463834 VRKZLPPGCIZYSL-UHFFFAOYSA-N 357.381 4.050 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2nc(C)c(C(C)=O)s2)cc1OCC 938678 DJUXCTYIMDQSLK-CSKARUKUSA-N 374.462 4.103 0 40 FIAB C[C@H](Sc1nnc2c(n1)[C@@H]1CC[C@@]2(C)C1(C)C)C(=O)Nc1ccccc1 5091955 VJZFVMRQLJQOKM-TVSHIAKJSA-N 368.506 4.166 0 40 FIAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)o2)cc1 5484771 XPYYRGZPDYQRKP-UHFFFAOYSA-N 351.358 4.118 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)OCc1cc(Cl)c2c(c1)OCO2 11260782 TXJBWVUIPGXOEJ-UHFFFAOYSA-N 357.793 4.226 0 40 FIAB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccs3)C[C@@H]21 13036495 ZHBKRIVHMRGSTP-OXJNMPFZSA-N 363.442 4.394 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13708414 LADRBTRDMFRKLV-HNNXBMFYSA-N 363.413 4.341 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14022847 JXVKFAUEPAZGOT-IBGZPJMESA-N 368.477 4.319 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)CSCc2cccc(Cl)c2)c1 14663272 GASFNQHQHXODCC-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB O=C(c1ccco1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19341977 ZAOXDTXYXGSTGZ-UHFFFAOYSA-N 374.444 4.029 0 40 FIAB c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 19369604 KVYFDZZDTHTMTP-QFIPXVFZSA-N 373.504 4.326 0 40 FIAB CCc1nn2c(O)cc(-c3sc(C)nc3C)nc2c1-c1ccccc1 19521406 NHMJDUWBXCNKTG-UHFFFAOYSA-N 350.447 4.405 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c23)cc1 19715822 YFIRRHKKGLIZGB-SFHVURJKSA-N 365.433 4.216 0 40 FIAB COc1ccc2c(c1)CCc1sc(Nc3ccc(C(=O)O)cc3)nc1-2 19894584 NPMGQGXZBMMUPL-UHFFFAOYSA-N 352.415 4.359 0 40 FIAB COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3)C[C@@H]21 12312112 FQVNKYMUYMAJBB-SIKLNZKXSA-N 357.413 4.333 0 40 FIAB C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1nc[nH]c2nccc1-2 1151860178 ZOLPFXCDWJMBJO-SFHVURJKSA-N 374.366 4.080 0 40 FIAB O=C(Cc1noc2ccccc12)Nc1c(-c2ccccc2)nc2sccn12 28254944 NHMCTIGSQHWJOE-UHFFFAOYSA-N 374.425 4.385 0 40 FIAB O=C(C1CC1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 29255210 WOXBEYNBSXQCQA-UHFFFAOYSA-N 360.910 4.123 0 40 FIAB O=C1c2cc3ccccc3cc2C(=O)N1c1ccc(Br)cc1 1444641 LUFUJDPKRXOMLI-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB COC(=O)/C(=C(/F)S[C@H]1C[C@H](C(C)(C)C)CCC1=O)C(F)(F)F 4593637 PXGACNOWPAPDJF-PQQIUBTMSA-N 356.381 4.420 0 40 FIAB COC(=O)c1c(NC(=O)c2cccc(SC)c2)sc2c1CCCC2 4517513 YNBCFKBRJRZHDX-UHFFFAOYSA-N 361.488 4.388 0 40 FIAB Cc1ccc(Cn2cccc(C(=O)Nc3cccc(Cl)c3C)c2=O)cc1 5270188 BXZFTOLGVPGHAE-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(NCCOc1ccc(F)cc1)C1c2ccccc2Oc2ccccc21 23142417 AYSHAZODMZQCPK-UHFFFAOYSA-N 363.388 4.259 0 40 FIAB CCCN(Cc1ccsc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 44447352 OYKINYUMZPBVAB-UHFFFAOYSA-N 363.426 4.368 0 40 FIAB CCOc1ccccc1C(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 207969604 VFLGFIBSTBEEQD-FQEVSTJZSA-N 367.470 4.159 0 40 FIAB Cc1c(Cl)cccc1-n1ccnc(NCCCc2ccccc2)c1=O 10273152 FFFSKINJRGVIOH-UHFFFAOYSA-N 353.853 4.239 0 40 FIAB CCc1ccc(-c2nc(COC(=O)c3c(C)nsc3N)cs2)cc1 40009996 CNIOOHMUJKBEEI-UHFFFAOYSA-N 359.476 4.077 0 40 FIAB Cc1ccc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4C)nn23)cc1 632894 CMPKJZWOCMEKPY-UHFFFAOYSA-N 372.457 4.322 0 40 FIAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 793350 AVFFIFMARQBMTD-HSZRJFAPSA-N 359.425 4.057 0 40 FIAB COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cccs3)C[C@H]21 810614 VBQPDDRNBZLLTM-UZLBHIALSA-N 363.442 4.394 0 40 FIAB COc1ccc2oc(=O)c(-c3csc(Nc4ccc(O)cc4)n3)cc2c1 911349 DYSCLIVXKYXJOU-UHFFFAOYSA-N 366.398 4.374 0 40 FIAB COc1ccc2cc(C)c3nnc(SCC(=O)c4ccccc4)n3c2c1 928409 LHKHGVOLPVYESN-UHFFFAOYSA-N 363.442 4.175 0 40 FIAB Fc1ccc(-c2cc3nc4c(c(NCCc5ccccn5)n3n2)CCC4)cc1 1340911 MHCOBKZPPQBYQN-UHFFFAOYSA-N 373.435 4.074 0 40 FIAB CSc1nc(Cl)c(Cc2ccc(OC(C)C)cc2)c(N(C)C)n1 2289311 QFOMORMHDMJFDX-UHFFFAOYSA-N 351.903 4.296 0 40 FIAB CCCSc1nnc(CSc2ncccn2)n1CCc1ccccc1 2706043 ZOQPNZUMGSLCTI-UHFFFAOYSA-N 371.535 4.105 0 40 FIAB Clc1ccc2nc(CSc3nnc4c(n3)[nH]c3ccccc34)cn2c1 3235349 KDOKRRPASPUUBH-UHFFFAOYSA-N 366.837 4.100 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1 3330474 OHMCSYCHNDCKDM-UHFFFAOYSA-N 367.426 4.482 0 40 FIAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 3334254 TYBXDHLABAKTNG-HNNXBMFYSA-N 366.442 4.232 0 40 FIAB CC(=O)Nc1ccc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 3340511 GWKZOGHMGMIBRA-UHFFFAOYSA-N 373.408 4.138 0 40 FIAB CCCN1CCN(C(=O)c2ccccc2-c2nc3ccccc3s2)CC1 3348689 CHQXNPVEBQOTJA-UHFFFAOYSA-N 365.502 4.131 0 40 FIAB O=C(CSc1nncn1-c1ccccc1)c1ccc(Br)cc1 3544147 UELLIHIMTLSKQH-UHFFFAOYSA-N 374.263 4.005 0 40 FIAB COc1ccc(OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 4051268 XHZJXTNRDSORJC-UHFFFAOYSA-N 350.296 4.343 0 40 FIAB CC(C)c1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079121 GIDQGZQNKOOFEE-UHFFFAOYSA-N 360.664 4.330 0 40 FIAB CCOc1ccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1 4120303 RKTJJNWBLJXIEN-UHFFFAOYSA-N 368.502 4.447 0 40 FIAB Clc1ccccc1CSc1ccc2nnc(-c3ccccn3)n2n1 4327241 KOOARPCGJMBPPW-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB COc1ccc(CNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 4550586 BHUORZGOGKEAML-UHFFFAOYSA-N 356.809 4.242 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3sccc3n2C)CC1 4859377 LFRGOAJTIFYIGO-UHFFFAOYSA-N 373.909 4.164 0 40 FIAB CCCCCCC1=NN(C(=O)Cc2ccccc2)[C@](O)(C(F)(F)F)C1 4942619 VRRNSALURJNCMA-QGZVFWFLSA-N 356.388 4.039 0 40 FIAB O=c1[nH]c(-c2ccc(Br)cc2)nc2sc3c(c12)CCCC3 5071612 OMNNWJBLBAMJEP-UHFFFAOYSA-N 361.264 4.293 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3cc(C)ccc3C)C2=O)cc1 5277196 OLGPNTXFRNHCCY-WOJGMQOQSA-N 368.458 4.418 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl 5508701 PYRUPVFGWNMXJM-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2cccc(C)c2)c(=O)c2ccccc21 5898138 BLXUQDZGBVMQHF-UHFFFAOYSA-N 350.418 4.068 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(NCc3ccco3)s2)cc1C 7161593 HDDQTCLYUYXJIR-UHFFFAOYSA-N 374.491 4.091 0 40 FIAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 7310261 XDBJWAFEBCUHJX-UWVGGRQHSA-N 355.809 4.025 0 40 FIAB CCN(CC)C(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CCCC3 8036219 CVTKITFKAGXWSC-UHFFFAOYSA-N 369.490 4.499 0 40 FIAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1cc(Cl)ccc1F 8728873 OXJLTKHMCWBXJH-UHFFFAOYSA-N 368.846 4.057 0 40 FIAB Cc1ccc(-c2nn(Cc3cccc(F)c3)c(=O)c3nc(C)sc23)cc1 8955140 FWJQPLZYAPZOLJ-UHFFFAOYSA-N 365.433 4.324 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21 9164725 MNCRSCVWUBBJLH-UHFFFAOYSA-N 356.491 4.255 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4ccc(F)c(Cl)c4)nn23)cc1 9422513 ZSZAZEHRZFDESF-UHFFFAOYSA-N 373.844 4.378 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 10641768 RFZAWEYXTSLJDR-HNNXBMFYSA-N 370.456 4.435 0 40 FIAB O=C(CCn1c(C(F)F)cc2cccnc21)N[C@H]1CCc2ccccc21 12187295 OVOZNAHCJGOYMP-INIZCTEOSA-N 355.388 4.168 0 40 FIAB c1coc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccco2)c1 12253074 QBUQAAIDZBBUJO-UHFFFAOYSA-N 361.357 4.337 0 40 FIAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN(C)CCc1ccccn1 12660036 HVDXBYCQTJYUKM-MHXAIHSWSA-N 368.521 4.014 0 40 FIAB biogenic CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1Cl 12738868 UKNHDDXTACPCHH-KRWDZBQOSA-N 360.866 4.262 0 40 FIAB CCc1ccc2c(CN(C)CCOc3cccc(C)c3)cc(=O)oc2c1 12793216 NXSKCQIFTKOSNL-UHFFFAOYSA-N 351.446 4.175 0 40 FIAB O=C(c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)N1CCCCC1 12815103 QTMMXLCFQTTYOY-UHFFFAOYSA-N 355.825 4.412 0 40 FIAB C[C@@H]1Oc2c(C(=O)NCc3ccc(CN4CCCC4)cc3)cccc2[C@@H]1C 14252461 CROBDJARIVZMTP-SJORKVTESA-N 364.489 4.097 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N2CCc3cc4ccc(C)cc4nc32)c(C)c1 15841950 LACCBFORPYYDRF-UHFFFAOYSA-N 366.486 4.220 0 40 FIAB COc1ccc2nc3c(cc2c1)c(NC(=O)CC(C)C)nn3CC(C)C 17247864 GWBHDJPGXRBLQW-UHFFFAOYSA-N 354.454 4.234 0 40 FIAB CN(C)C1CCC2(CC1)CN(Cc1ccccc1)Cc1ccccc1O2 19584035 AYWMNOJFUJEXEN-UHFFFAOYSA-N 350.506 4.324 0 40 FIAB CC[C@@H](NC(=O)c1ccc2c(c1)c(C)cn2C)c1c(C)nn(CC)c1C 19663131 MQHUUOBCGWWBMP-GOSISDBHSA-N 352.482 4.201 0 40 FIAB O=C(Oc1ccccc1-c1cc(C(=O)O)c2ccccc2n1)c1ccco1 20095953 FTZZMSOEUGESLG-UHFFFAOYSA-N 359.337 4.412 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 20722797 HLFISSGDOSZDSK-KNQAVFIVSA-N 364.489 4.360 0 40 FIAB O=c1oc2ccccc2n1CN1CCCC[C@H]1c1nc2ccccc2s1 21933215 UUOLHKKMDQUDFH-INIZCTEOSA-N 365.458 4.389 0 40 FIAB Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)nc2)cc1 24437830 KLDMKJBGWWKAFX-UHFFFAOYSA-N 372.877 4.439 0 40 FIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NCc1ccc(C)cc1 25043833 UMRFXWALOBAMCB-UHFFFAOYSA-N 369.515 4.474 0 40 FIAB CC(C)CCn1c(SCC(=O)NCc2ccco2)nc2ccccc21 25759829 FLVAHWXDXGWHTI-UHFFFAOYSA-N 357.479 4.084 0 40 FIAB Cc1nc2cc(NC(=O)c3cccnc3SCC(F)(F)F)ccc2o1 40050873 WLIPFUFCXNCVRZ-UHFFFAOYSA-N 367.352 4.438 0 40 FIAB CN(CCOc1ccccc1F)C(=O)Nc1ccc(OC(F)(F)F)cc1 40097068 JFWRABKDMPQEOE-UHFFFAOYSA-N 372.318 4.267 0 40 FIAB C[C@H](SCC(=O)N[C@H](C)CCc1ccccc1)c1nc2ccccc2[nH]1 40160449 JFBFKRVQYURECG-CVEARBPZSA-N 367.518 4.495 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 44947217 DGIBHYKSYKJPTR-GOSISDBHSA-N 357.519 4.429 0 40 FIAB CC(C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078745 PEMMXCUYMXKXKX-UHFFFAOYSA-N 356.853 4.071 0 40 FIAB CC(C)Cc1ccc([C@@H](NCc2cc(=O)n3ccccc3n2)C(C)C)cc1 50275823 UUEUGSHCYDZBEK-QHCPKHFHSA-N 363.505 4.380 0 40 FIAB COc1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)c(OC)cc1Cl 51315685 KMVORBSSYNWALJ-UHFFFAOYSA-N 363.826 4.061 0 40 FIAB FC(F)(F)c1ccc([C@@H]2NCc3cc4c(cc3-n3cccc32)OCO4)cc1 55231401 VOWXBKZFZNUCMS-IBGZPJMESA-N 372.346 4.417 0 40 FIAB COc1c(C)cnc(CN(C)C(=O)c2nc(-c3cccs3)oc2C)c1C 58419291 NNPQNPTTYMXSKH-UHFFFAOYSA-N 371.462 4.004 0 40 FIAB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OC(C)C 59227062 LGDTYMHQINWQMO-MHWRWJLKSA-N 371.820 4.480 0 40 FIAB Cc1noc(C)c1CNC(=O)N1CC=C(c2cccc3ccccc23)CC1 63789547 MZNNVEJKUKWTNQ-UHFFFAOYSA-N 361.445 4.444 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 65489239 CGMHGQFQHLMZQQ-QZTJIDSGSA-N 365.864 4.254 0 40 FIAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc(OC)c1OC 71283624 RPYZHJJETSBWEM-CQSZACIVSA-N 371.437 4.148 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC3CC3)nc2)cc1 71821896 TZWMOOAYEZYYEZ-FQEVSTJZSA-N 365.477 4.422 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 72235819 BYCPJKPBGASPNK-QGZVFWFLSA-N 368.477 4.338 0 40 FIAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nnc(C2CCCCC2)s1 72405846 KLNIJHCKMLOUAK-UHFFFAOYSA-N 367.478 4.239 0 40 FIAB O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 77171597 QSWFDZTXLOJRQN-MRXNPFEDSA-N 368.330 4.450 0 40 FIAB Cc1cc(-c2noc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4)n2)ccc1F 79301749 DNAJSEFETDAKLP-LBPRGKRZSA-N 366.396 4.242 0 40 FIAB CC(C)Cn1ccc2c(NC(=O)C[C@@H]3NC(=O)c4ccccc43)cccc21 79491261 XCDSSQAHHLEQSG-IBGZPJMESA-N 361.445 4.111 0 40 FIAB O=C(c1cccc2c1OCCO2)N(Cc1c(F)cccc1Cl)C1CC1 84358399 OHWVAXUCVOIPAC-UHFFFAOYSA-N 361.800 4.055 0 40 FIAB O=C(Cc1ccc(-n2cccc2)cc1)OCc1cc(Cl)c2c(c1)OCO2 84606480 GFFZRDFCENAOTB-UHFFFAOYSA-N 369.804 4.145 0 40 FIAB COc1ccc(/C=C/C(=O)NCc2sc(-c3ccccc3)nc2C)cc1 85470938 QDTSGUQQGKPYMA-JLHYYAGUSA-N 364.470 4.457 0 40 FIAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccccc1Br 96097251 WPGZIWLVFONLFZ-OAHLLOKOSA-N 374.234 4.049 0 40 FIAB O=C1c2ccccc2-c2c1c(C(=O)c1ccc3c(c1)OCO3)c1ccccn21 96336850 JNBLZPJUJKIARD-UHFFFAOYSA-N 367.360 4.110 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N1CCS[C@@H](c2ccccc2)CC1 208044021 XVQODFKWBINFDM-APEZIOSESA-N 359.516 4.167 0 40 FIAB CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c1 216231867 CNPKLWVLJWXSGF-CYBMUJFWSA-N 361.463 4.222 0 40 FIAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(F)ccc1F 222967117 QYWZHKYNGUJRCO-VIFPVBQESA-N 352.178 4.319 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223059338 AUBCXMDXIUYMHT-FQEVSTJZSA-N 359.491 4.004 0 40 FIAB CCC1(CC)C[C@H](NS(=O)(=O)c2cccs2)c2ccccc2O1 223166512 PDJAELUSQSFSMN-AWEZNQCLSA-N 351.493 4.109 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223173499 DMSTYPUJXQDBBO-INIZCTEOSA-N 369.446 4.010 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1Cl 223291050 KKCFXPNBMXUIAK-UHFFFAOYSA-N 372.852 4.426 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC(C)(C)C 223584021 WXHKJEUFHPQPPI-OAHLLOKOSA-N 373.324 4.425 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)s1 223669453 CYQJAABLQGVHFG-CQSZACIVSA-N 365.524 4.399 0 40 FIAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1cccc(OC)c1 224584758 YMANSZCTTJPJHJ-UHFFFAOYSA-N 369.461 4.345 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(F)cc1 224903465 RGXTUJBGGVAIHO-GOSISDBHSA-N 357.425 4.186 0 40 FIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225734937 OJJHMCGEDXRJIB-OAQYLSRUSA-N 364.530 4.187 0 40 FIAB CCc1ccc(-c2nc3ccc(S(=O)(=O)O)c4cccc([nH]2)c34)cc1 226249384 PSXQHMCQCZMVPN-UHFFFAOYSA-N 352.415 4.192 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nc(N)sc3c2)cc1 226311702 YHPNDZIUYLKXJC-UHFFFAOYSA-N 355.463 4.194 0 40 FIAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N[C@H](C)c1ccccc1 253402185 OACXJEILMCXGGL-OLZOCXBDSA-N 354.381 4.025 0 40 FIAB biogenic,in-vitro CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)C1CCCCC1 257202566 AMJLRDKFZSAVFP-FDFHNCONSA-N 368.521 4.310 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 408627106 KFRVJBHLXBMUTP-AWEZNQCLSA-N 371.481 4.331 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 408708988 WALHSVXZSZCDKD-HDYDNRTBSA-N 370.537 4.146 0 40 FIAB COc1ccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)cc1 409120193 YNXQGHIQUCCVPX-UHFFFAOYSA-N 369.442 4.075 0 40 FIAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@]3(CCCOC3)C2)cc1 585082144 NPURLBZHTIPSKD-QFIPXVFZSA-N 350.462 4.381 0 40 FIAB CC(C)c1cc(-c2nn3c(CSCc4ccccc4)nnc3s2)n[nH]1 1501039879 FBVWSCFIOCAROG-UHFFFAOYSA-N 370.507 4.133 0 40 FIAB Cn1cc(NC(=O)c2ccc(-c3cccs3)o2)c(-c2ccccn2)n1 1517039017 AJGRWEQOWWEYHS-UHFFFAOYSA-N 350.403 4.056 0 40 FIAB Cc1nc(Cn2cnc3sc4c(c3c2=O)CCCC4)sc1C(C)(C)C 1652376574 GZZSYKJEIFWBKC-UHFFFAOYSA-N 373.547 4.448 0 40 FIAB CC(C)(C)c1ccc2c(=O)c(C(=O)O)cn(Cc3cc(F)cc(F)c3)c2c1 1889298582 NQMHKBCLEXYSJL-UHFFFAOYSA-N 371.383 4.324 0 40 FIAB C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 887487 RNHKTEHEPDNBEV-SKDRFNHKSA-N 355.809 4.216 0 40 FIAB Cc1ccc(C2=NN(C(=O)CCN3CCCCC3)[C@H](c3ccco3)C2)cc1 1306426 YHDVDSVNDMGAKU-FQEVSTJZSA-N 365.477 4.142 0 40 FIAB c1nc(N2CCN(C3CCCCC3)CC2)c2c3c(sc2n1)CCCC3 1506845 BLPHONBQJHCJRO-UHFFFAOYSA-N 356.539 4.025 0 40 FIAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ccc(O)cc2)CC1 3343097 FAHZTOOQPVXNJF-UHFFFAOYSA-N 374.440 4.147 0 40 FIAB CSCc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 3504489 XEAGMTRTIDRDLR-UHFFFAOYSA-N 360.910 4.165 0 40 FIAB COc1ccc(C(C)=O)cc1COc1ncnc2sc3c(c12)CCCC3 3597437 NAJGOIPEFFMDBC-UHFFFAOYSA-N 368.458 4.360 0 40 FIAB CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 4107356 CDNQWJRGWPDNPE-UHFFFAOYSA-N 361.401 4.070 0 40 FIAB CC(=O)[C@@]1(O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 4166251 DUSHUSLJJMDGTE-CSXJPWEOSA-N 374.908 4.037 0 40 FIAB COc1ccc2[nH]c3c(=O)n(C)c(SCc4ccccc4C)nc3c2c1 4313320 IYIATWQWTXCKNN-UHFFFAOYSA-N 365.458 4.024 0 40 FIAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c1C 6187974 WILCWCYMBOQQMX-AWEZNQCLSA-N 371.506 4.472 0 40 FIAB Cc1cc(C)nc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)c1 6275805 FBFWDMYWQNLAMY-UHFFFAOYSA-N 370.840 4.146 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 6381921 KOXWSBZSBZLZBD-UHFFFAOYSA-N 360.822 4.374 0 40 FIAB Cc1[nH]c2ccc(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cc2c1C 6758936 PXMFZXKYRCXXTG-HXUWFJFHSA-N 369.896 4.471 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 6880014 KKNNJKHHETXSJJ-HNNXBMFYSA-N 356.491 4.087 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)C1(c2ccccc2)CC1 7434987 CYWWDYKINJNDBP-UHFFFAOYSA-N 364.397 4.385 0 40 FIAB O=C1/C(=C/c2ccc(Cl)cc2Cl)NC(=S)N1C1CCCCC1 7916057 RTOTXUKMNLKXRQ-ZSOIEALJSA-N 355.290 4.384 0 40 FIAB Cc1ccc2c(CC(=O)Nc3ccnn3Cc3cccs3)coc2c1 7990726 FYGJENJHBFYXJU-UHFFFAOYSA-N 351.431 4.229 0 40 FIAB CC(=O)c1cc(CCC(=O)Nc2ccc(Br)cc2)oc1C 8112564 SURUITJJPQUJRC-UHFFFAOYSA-N 350.212 4.124 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)CCCC(=O)O)cc1 8434566 OAKLSOCGPVHCPG-UHFFFAOYSA-N 374.824 4.094 0 40 FIAB COc1cccc2c(=O)c(SC(F)(F)[C@H](F)C(F)(F)F)c(C)[nH]c12 8578798 PXMSFOUIQHPKKM-GFCCVEGCSA-N 371.302 4.430 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc2c(cc1Cl)OCCCO2 8943266 GHOCZGSLVBSBFG-LLVKDONJSA-N 365.788 4.046 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1cccc2c1CCCC2 10410527 GVDZRPMENAZNPO-UHFFFAOYSA-N 357.837 4.171 0 40 FIAB COCc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 12396749 HFMVSBDYHRTKSQ-UHFFFAOYSA-N 372.515 4.299 0 40 FIAB COc1ccc(CN(CC(=O)Nc2ccc(F)c(Cl)c2)C2CC2)cc1 12762370 RRLJDWALJRMRHM-UHFFFAOYSA-N 362.832 4.091 0 40 FIAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(Cl)cc(Cl)c1 12925958 MYUOKPUHXSODFA-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB O=C(O)C1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 13167079 CYSLPDSQSULOLF-UHFFFAOYSA-N 358.246 4.145 0 40 FIAB CC(=O)NCCCc1ccc(-c2csc(Cc3ccccc3)n2)cc1 16941590 DIZXPBLYQHIZMK-UHFFFAOYSA-N 350.487 4.470 0 40 FIAB Cc1ccc(OCCN(C)C)c(NC(=O)c2cc(C)c3ccccc3n2)c1 19716885 BEJGSYPWSSEEEU-UHFFFAOYSA-N 363.461 4.044 0 40 FIAB COC(=O)c1cc2cc(NC(=O)c3ccc(F)c(F)c3F)ccc2s1 20029708 UGKRZQPFRXRFER-UHFFFAOYSA-N 365.332 4.358 0 40 FIAB Cc1nc(-c2ccc(NC(=O)c3ccc4nc(C)c(C)nc4c3)cc2)co1 23149879 UNESDHUIYXEFQE-UHFFFAOYSA-N 358.401 4.462 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)s1 24070432 RCSOVLZVYIIRHZ-UHFFFAOYSA-N 367.826 4.421 0 40 FIAB CCCn1nc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)ccc1=O 28307916 LPYCEUNXPLRLIU-UHFFFAOYSA-N 374.444 4.033 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cccnc1N1CCOCC1 32743363 KZIJHNJYSMKMKO-UHFFFAOYSA-N 367.493 4.417 0 40 FIAB CSc1ccccc1NC(=O)[C@@H](C)N1CCC(c2ccc(O)cc2)CC1 32891635 YDVHRQPEBSHRND-OAHLLOKOSA-N 370.518 4.321 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 32900974 PUTQINYFIARDOZ-IBGZPJMESA-N 374.440 4.438 0 40 FIAB Nc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 35327281 WBTTTYKLLKRJKS-UHFFFAOYSA-N 351.642 4.030 0 40 FIAB CCCCc1cc(=O)oc2cc(OCc3ccc(C(=O)OC)o3)ccc12 35686476 CDKIUJLJWKZIEL-UHFFFAOYSA-N 356.374 4.094 0 40 FIAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47185708 HSBDTUGHDBBZQC-JTQLQIEISA-N 373.865 4.012 0 40 FIAB CCOc1ccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1 49006265 BYIBVAKWKHQRFI-UHFFFAOYSA-N 369.490 4.386 0 40 FIAB CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2C)c(O)c2sccc21 49409505 UCOFIBKSUBZKNR-UHFFFAOYSA-N 362.838 4.003 0 40 FIAB Cc1ccc(O)c(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1 50177580 VKMNSSUJDDOOPU-UHFFFAOYSA-N 356.422 4.448 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(OC)cc1)C3 55393851 XNOWJMOQQPTDAW-UHFFFAOYSA-N 365.429 4.106 0 40 FIAB aggregator,biogenic COc1ccc(-c2n[nH]c(C)c2-c2cc3c(cc2C)OCCO3)c(O)c1C 57291921 GSWUCACWZUPMGW-UHFFFAOYSA-N 366.417 4.154 0 40 FIAB CCCCCC[C@@H](C)NC(=O)CS(=O)(=O)[C@@H](C)c1ccccc1Cl 58196377 AWQCUMKBSRJORF-CABCVRRESA-N 373.946 4.291 0 40 FIAB COc1cccnc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58433101 DJXMOSNQQGNQON-UHFFFAOYSA-N 364.245 4.380 0 40 FIAB Cc1cccc(C)c1NC(=O)C[S@](=O)Cc1cccc(C(F)(F)F)c1 66298170 PSOPVHBGUVQISB-VWLOTQADSA-N 369.408 4.210 0 40 FIAB C[C@@H]1CCC[C@@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccncc2)[C@@H]1C 71809032 RJCMSDYUGSZFKM-GPMSIDNRSA-N 366.461 4.277 0 40 FIAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)Nc1ccc2c(c1)CCC2 71832936 QYZFHHUPKNXYAS-CQSZACIVSA-N 371.431 4.102 0 40 FIAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(Br)cc2)c1 72329122 CFPVMNWUXXIJOH-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1C 72333806 WWSGEIKDZVCBFI-UHFFFAOYSA-N 366.244 4.083 0 40 FIAB Cc1ccc(-c2ccccc2C[C@]2(C(=O)NC(C)C)CCCNC2)cc1 72391924 SFYDGXVZKLIPMT-HSZRJFAPSA-N 350.506 4.099 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 95381811 ILAKTEJJRQOJOZ-SNVBAGLBSA-N 374.897 4.305 0 40 FIAB Cc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1Br 95460850 GMCJMHVBVIJHFJ-HNNXBMFYSA-N 363.259 4.240 0 40 FIAB CCCO[C@@H]1CCCN(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 95953681 UYATXJOJXBTVSB-LJQANCHMSA-N 370.497 4.302 0 40 FIAB O=C(c1cccn1C1CC1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 95995259 ZZXVBJWWMWXDFK-HXUWFJFHSA-N 366.486 4.261 0 40 FIAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)C2 96003958 SEKNSJVIKBTGTR-RTWAWAEBSA-N 373.500 4.313 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccccn2)CC1 96024718 IOPHKCALPSBKCR-UHFFFAOYSA-N 365.355 4.176 0 40 FIAB Cc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)cc1Cl 100862843 HEGZJWFHPJEGOZ-XSYNCLLFSA-N 370.884 4.174 0 40 FIAB CCc1ccccc1N1C(=S)N[C@H]2C[C@@]1(C)Oc1c(OC)cccc12 102202549 PTQFCWIQNQFMKZ-MGPUTAFESA-N 354.475 4.192 0 40 FIAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)cc1C 219216027 SZIBMOOIRVFDPW-HXUWFJFHSA-N 350.462 4.311 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccccc1C 219289700 MKWADVXRZCRPRC-CRAIPNDOSA-N 369.461 4.190 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 219302222 LFRQAJFWIZGIAY-MJGOQNOKSA-N 355.478 4.271 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222942293 QBDLCNYIXNZAPE-NSHDSACASA-N 359.297 4.035 0 40 FIAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223475362 DXCRQUYYCXUFSB-OAQYLSRUSA-N 370.468 4.078 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 224614935 ZISWZMVPUUVQDU-LJQANCHMSA-N 371.477 4.000 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225107482 ZNXPWKAUEQWKLH-CYBMUJFWSA-N 370.474 4.051 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225111897 CHKNUDZZGRKLQF-OAHLLOKOSA-N 374.437 4.018 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225461030 BWRXOEZAHFQLFP-GOSISDBHSA-N 354.475 4.227 0 40 FIAB O=C(Cc1cccc(Br)c1)NCCCc1ccc(Cl)cc1 225620327 KTQAZAXKSOONCB-UHFFFAOYSA-N 366.686 4.394 0 40 FIAB COc1ccc2cc(C(=O)NCc3cncc(-c4cccs4)c3)[nH]c2c1 225666674 BDMZUFRSAHHCPV-UHFFFAOYSA-N 363.442 4.230 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SCC(C)C)s1 225692110 KJDRGZVMVGITGL-CQSZACIVSA-N 365.524 4.391 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCCC1 225709427 CXNSORUUPJZVAW-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)n1cc(C(=O)O)c2ccccc21 226367382 ZLVLUQIQIZQDQN-UHFFFAOYSA-N 364.184 4.343 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)c1 408614331 BAMFJDAFSZMYGW-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(OC)cc1 408823449 FJRZWWLLRITNCI-UHFFFAOYSA-N 353.447 4.419 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1C 409058459 NHLMVZHEPRORPU-BOPFTXTBSA-N 355.415 4.253 0 40 FIAB CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC[C@@H](c3ncc[nH]3)C1)CC2 548660919 LUSTVCBFDWUOOY-IEBWSBKVSA-N 352.482 4.110 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)Nc1cccc(OC)c1)c1nc2ccccc2[nH]1 575443468 KEYCQIBGGXAOAW-SCLBCKFNSA-N 352.438 4.480 0 40 FIAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1cccc(C(=O)O)c1 955145 RHQHDJRNHSPUHU-UHFFFAOYSA-N 364.401 4.416 0 40 FIAB CC1(C)Cc2nc3sc4c(NCc5ccco5)ncnc4c3cc2CO1 987284 UMMRYBGLFRBCOA-UHFFFAOYSA-N 366.446 4.296 0 40 FIAB COc1ccccc1-c1nc2c3c4c(sc3nc(C)n2n1)CCCC4 2340674 DJEHLOCCLSYYQY-UHFFFAOYSA-N 350.447 4.202 0 40 FIAB CCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cc(C)ccc3nc21 2421915 KNGLIBNEZKMYIP-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB O=C(O)c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1 2774991 SYNLNOAULHSZSD-UHFFFAOYSA-N 357.291 4.267 0 40 FIAB C[C@@]1(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1(Cl)Cl 3246255 DLOQFNOHHNCNAQ-LBPRGKRZSA-N 371.047 4.059 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1cccc(Cl)c1 4120624 NYVJGBHZCSRXNS-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB CCOC(=O)[C@]1(c2ccccc2)Nc2ccccc2C(=O)N1c1ccccc1 4619700 PTIGUAGWNPYYGX-HSZRJFAPSA-N 372.424 4.175 0 40 FIAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccccc1 4987720 ACRADSJHBMDXRT-UHFFFAOYSA-N 360.822 4.277 0 40 FIAB COc1cc([C@H]2C(C)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 5663553 LDXJCLJHCJWUQF-HXUWFJFHSA-N 370.401 4.259 0 40 FIAB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 5815798 OOCLFJSXJARTNX-MDWZMJQESA-N 357.207 4.009 0 40 FIAB CSc1ccccc1C(=O)N[C@@H](C(=O)OCCC(C)C)c1ccccc1 5843012 HRAMWEJGRQCJGH-LJQANCHMSA-N 371.502 4.469 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccc(N(C)C)cc3)n2)cc1 6319889 CRPQLZYCHPTZAF-UHFFFAOYSA-N 353.447 4.137 0 40 FIAB CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccc(F)cc1 7718737 SIEVHSYCMQUUEV-UHFFFAOYSA-N 365.364 4.305 0 40 FIAB COCCc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 8188004 AOABZFNLAXFPTO-QGZVFWFLSA-N 363.457 4.285 0 40 FIAB C[C@H](Sc1ncnc2c1oc1ccccc12)C(=O)NCc1cccs1 8258028 NAEGIDLIRKPURN-NSHDSACASA-N 369.471 4.235 0 40 FIAB Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1C1CC1 8491157 YCKBBNWUKQVJID-UHFFFAOYSA-N 358.492 4.261 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)N[C@H](C)c3cccs3)c(=O)oc2c1 8735555 MACYZIVEGHXMDI-CQSZACIVSA-N 355.459 4.281 0 40 FIAB CCCOc1nn(CCC)cc1C(=O)Nc1cccc(C(F)(F)F)c1 9070930 GQEVAULSMACINL-UHFFFAOYSA-N 355.360 4.353 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCC1(N2CCCCC2)CCCCC1 9885338 QKWNWCQWSUCYKQ-UHFFFAOYSA-N 353.510 4.015 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1COc2ccccc2O1 10421586 PKJMADBKAQYWSM-FQEVSTJZSA-N 372.380 4.273 0 40 FIAB CC[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1 10841345 IOSCAIXANCMHTD-GOSISDBHSA-N 355.413 4.003 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)c(Cl)c1 11247056 BKHVUUHUMXCICF-SFHVURJKSA-N 366.852 4.199 0 40 FIAB CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)CC)cc12 11615823 JGDKTMUMBNYEJJ-UHFFFAOYSA-N 367.467 4.158 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCCO2 11758769 KWHYXGQVOVWMAT-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB O=C(CSc1nc2cc(Cl)cc(Cl)c2[nH]1)N1CCCCCC1 12604367 KPTJGTDJPAWBJV-UHFFFAOYSA-N 358.294 4.364 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(N2CCCCCC2)cc1 12605759 IJFAVMLTJGYTNG-SAPNQHFASA-N 356.491 4.480 0 40 FIAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3nccs3)CC2)cc1 12858182 BIHJWWWLWVJAIG-UHFFFAOYSA-N 371.456 4.333 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3oc4ccc(F)cc4c3C)ccc21 12871076 BOVREZAXAAGJLB-UHFFFAOYSA-N 352.365 4.042 0 40 FIAB COc1ccccc1CN(C)C(=O)c1sc(-c2cccs2)nc1C 12902323 JIZWMYUMUULBOJ-UHFFFAOYSA-N 358.488 4.461 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(-c3ccccc3)cc2)C1 13674518 SLXIHUDESNWVTR-KDURUIRLSA-N 350.506 4.451 0 40 FIAB CN(C)c1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 14061612 UDIOVFFQCJXNIB-UHFFFAOYSA-N 371.387 4.257 0 40 FIAB Cc1ccc2c(CSc3nnc(NCC(C)C)s3)cc(=O)oc2c1 18663847 GNYNYZXUCPKQBY-UHFFFAOYSA-N 361.492 4.313 0 40 FIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 19932870 VFRHQIPBNBPICK-KRWDZBQOSA-N 363.866 4.256 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1 20141715 DQYPATMBFYUHOX-UHFFFAOYSA-N 367.401 4.099 0 40 FIAB COC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 21870747 AMXFZCXAYBPWGI-CYBMUJFWSA-N 354.837 4.320 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NCc1ccc(OCC(F)(F)F)cc1 23392499 LFSBCNXLEGKNSU-UHFFFAOYSA-N 372.774 4.281 0 40 FIAB COc1cc(OC)c(NC(=O)Cc2coc(-c3ccccc3)n2)cc1Cl 27448669 UZGQVXKYKIQGLX-UHFFFAOYSA-N 372.808 4.193 0 40 FIAB COc1ccc2nc(NC(=O)c3ccc(CN4CCCCC4)o3)sc2c1 27979895 JLIVRAGKTYOTCE-UHFFFAOYSA-N 371.462 4.136 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N[C@@H](CN(C)C)c1ccccc1 29953889 VGEUNKUDVHRRFO-FQEVSTJZSA-N 367.880 4.229 0 40 FIAB O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccc(Cl)cc2)cs1 30448468 ODISLNWJKRGWOV-UHFFFAOYSA-N 354.818 4.260 0 40 FIAB in-vitro Cc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)cc3[nH]2)cc1 33063615 GHCKTRFRHWVGCB-UHFFFAOYSA-N 352.459 4.017 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCC1 33566755 RJSOCXCOZXJMAJ-KRWDZBQOSA-N 366.461 4.027 0 40 FIAB CCCCn1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccco3)nc21 36617242 IIAUTQCMQDRHDU-UHFFFAOYSA-N 351.378 4.452 0 40 FIAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 36635583 HOIGTFCZVGPALM-INIZCTEOSA-N 363.244 4.300 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)Nc1cccc(NC(=O)C2CC2)c1 40104740 JVRVENWFBJOXAA-UHFFFAOYSA-N 357.841 4.352 0 40 FIAB COCCCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 40130553 WZPLKIYPYBCFDU-UHFFFAOYSA-N 359.278 4.406 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccs2)c(OC)c1 40284176 ALAFVTFYADDXRE-LBPRGKRZSA-N 355.419 4.075 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1cc(F)cc(F)c1 43277813 ZXXLFQBWVIHHDC-UHFFFAOYSA-N 371.431 4.262 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(CN2CCC(C)CC2)cc1 47427441 CXRWEAVZAIXMDA-UHFFFAOYSA-N 355.482 4.095 0 40 FIAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NC1Cc2ccccc2C1 49545456 TZOUNKHOUGHSNZ-UHFFFAOYSA-N 368.889 4.290 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)c3oc4c(Cl)cccc4c3C)C2)n1 54660667 VPALOKSRDWIEKV-LBPRGKRZSA-N 359.813 4.106 0 40 FIAB NC(=O)c1ccc(Cl)cc1OCc1csc(Cc2ccccc2)n1 58344328 DDOXCJRSZVJASG-UHFFFAOYSA-N 358.850 4.065 0 40 FIAB CN(Cc1cccc(C(F)(F)F)c1)Cc1noc(-c2cccs2)n1 65517695 UTPIJDJSGMPIRT-UHFFFAOYSA-N 353.369 4.449 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(Cc3ccccc3)C2)n1 72345888 XJXGFDWMBDRXQO-SFHVURJKSA-N 362.452 4.245 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C[C@H]2CCOC2)CC1 78439712 QSUZOOOZDNXMDO-GOSISDBHSA-N 373.541 4.119 0 40 FIAB CCOc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccco3)C2)cc1 95945261 MBKXXRUNXFMSJH-QGZVFWFLSA-N 350.374 4.263 0 40 FIAB C[C@@H](CSc1ncn(-c2ccccc2)n1)C(=O)c1ccc(F)c(F)c1 96006603 IUSBOHRSVLONEH-LBPRGKRZSA-N 359.401 4.157 0 40 FIAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1nc2ccccc2s1 96104073 HFCLVXNAQZZHBX-UHFFFAOYSA-N 366.490 4.415 0 40 FIAB COC(=O)c1ccccc1N(C)C(=O)c1cc(-c2cccc(Cl)c2)no1 102833408 CSHHQYNZTYXBAD-UHFFFAOYSA-N 370.792 4.058 0 40 FIAB O=C(Nc1cnc(C2CC2)nc1)c1cnn(-c2ccc(Cl)cc2Cl)c1 103016478 KMUVZKIXGAFHJS-UHFFFAOYSA-N 374.231 4.099 0 40 FIAB Cc1cc(NC(=O)[C@H](OC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 105657133 SRJZQPPFTIHAEI-JWWIWJDOSA-N 368.433 4.032 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)COc1cccc(C)c1C)CC(C)(C)O2 222821968 QZULBAPCEJKTQO-GOSISDBHSA-N 369.461 4.109 0 40 FIAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1C(C)C 223740673 HAXAZQPRIOCCBU-UHFFFAOYSA-N 367.898 4.293 0 40 FIAB S=C(NCc1ccccc1)Nc1ccc(N2Cc3ccccc3C2)nc1 223923614 FWVKWIBTKXJFLE-UHFFFAOYSA-N 360.486 4.088 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(Cl)cc1 224443641 WBKVUYRYNZZNDT-KRWDZBQOSA-N 368.260 4.346 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2C)cc1Cl 224959180 NLYSDWPSEVMCSI-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CCCSc1nnc(NC(=O)CCSc2ccc(C)cc2)s1 224977981 XASHDXYCXZTSKX-UHFFFAOYSA-N 353.538 4.470 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)Cc3ccc(Cl)cc3F)ccc21 225123291 JQRIBVJOHDGOBE-UHFFFAOYSA-N 364.829 4.057 0 40 FIAB CCOCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cn1 225860430 JNSJJJINBYEKKK-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB Cc1c(I)cccc1-c1nc2cc(N)cc(C)c2o1 226248342 HFVNVXRTYZWOAC-UHFFFAOYSA-N 364.186 4.298 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 245266517 JQTHEVSJBRFWGI-HHMSRWFOSA-N 360.523 4.067 0 40 FIAB CSc1nc(Cl)cc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1 252505792 MYNNIICNGCOLGJ-XYPYZODXSA-N 372.922 4.100 0 40 FIAB CCOc1ccccc1CCC(=O)NCc1ccnc(-c2cccs2)c1 252518191 AGUITTNFHILUJG-UHFFFAOYSA-N 366.486 4.458 0 40 FIAB C[C@H](NCc1cnc(-c2ccncc2)s1)c1cccc(-n2cccn2)c1 561527569 GMCGSWMMWVPIEO-HNNXBMFYSA-N 361.474 4.242 0 40 FIAB COc1ccc2[nH]cc(-c3csc(NC(=O)CCn4cccc4)n3)c2c1 604419186 DLTDVWOXINWFRW-UHFFFAOYSA-N 366.446 4.130 0 40 FIAB Fc1cccc(-c2nn3c(CSCc4ccccc4)nnc3s2)c1 1501040044 YDBTVCGECVLALW-UHFFFAOYSA-N 356.451 4.425 0 40 FIAB CCO[C@@H]1CC2(CCN(C(=O)c3csc(C)n3)CC2)c2ccc(C)cc21 2055806690 YTEOXKGJNNVULZ-LJQANCHMSA-N 370.518 4.415 0 40 FIAB O=C1N(Cc2ccccc2Cl)c2ccccc2C12O[C@@H]1CCCC[C@H]1O2 1442175 MBUDUBBRGUDJST-RTBURBONSA-N 369.848 4.398 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 1934078 PLJITGGGCTYYTQ-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB COc1ccc(-c2coc3cc4oc(=O)c(CC(=O)O)c(C)c4cc23)cc1 2091148 YKCRRDVZXWZRLJ-UHFFFAOYSA-N 364.353 4.150 0 40 FIAB biogenic Cc1nc2sc3c(c2c2nc(-c4cccc(O)c4)nn12)CC[C@H](C)C3 2194578 YAJVODJKGQSCON-JTQLQIEISA-N 350.447 4.145 0 40 FIAB COc1cc(C(=O)N(Cc2ccccc2)C(C)(C)C)cc(OC)c1OC 2345843 XGRLYLGXPMCBEM-UHFFFAOYSA-N 357.450 4.153 0 40 FIAB Cc1cccc(NCC(=O)Nc2ncc(Cc3ccccc3F)s2)c1 2887692 KODNGSIXSJIABV-UHFFFAOYSA-N 355.438 4.232 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCc1ccc(Cl)cc1Cl 3269514 IHJXNFXGVOJCOV-AWEZNQCLSA-N 374.264 4.436 0 40 FIAB COc1cccc(/C=C/C(=O)OCc2c(F)cccc2Cl)c1OC 3300791 BGTQAPCQECFDQJ-MDZDMXLPSA-N 350.773 4.253 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(Cl)c(Cl)c1 3314032 JGCNFBDNDIGNBY-NSHDSACASA-N 364.228 4.128 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1c(Cl)cccc1Cl)c1ccccc1 3372640 HEFAFFMQRZXSJT-LLVKDONJSA-N 352.217 4.028 0 40 FIAB CCOc1ccc(NC(=O)c2nnn(-c3cccc(Cl)c3C)c2C)cc1 4315623 GXXQCMXWQLVJMU-UHFFFAOYSA-N 370.840 4.189 0 40 FIAB COc1ccc(/C=C/C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 4675167 LGWJJBBKKHZBOU-UXBLZVDNSA-N 370.880 4.019 0 40 FIAB O=C(CCC1CCCCC1)Nc1ccc(Br)cc1C(=O)O 4824066 VRPCUSDPRBVDQL-UHFFFAOYSA-N 354.244 4.446 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccco3)ccc21 4868770 JNRFGFJHVMNQOZ-UHFFFAOYSA-N 362.385 4.203 0 40 FIAB O=C(N[S@@](=O)[C@@H]1C=C[C@H]2CCC[C@H]12)O[C@H]1CCCC[C@H]1c1ccccc1 5765932 JFJYIEIQAXWPJD-XJJIGLNASA-N 373.518 4.457 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1C(C)C 5862276 FZBHRFBMBOUUEQ-UHFFFAOYSA-N 358.467 4.049 0 40 FIAB O=C(CSc1nnc2ccccn12)Nc1ccc(-c2ccccc2)cc1 6114741 KCRJWFVHZONESY-UHFFFAOYSA-N 360.442 4.127 0 40 FIAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 6153022 RFAUTLFACFSHBT-UHFFFAOYSA-N 370.758 4.117 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC 6465921 SYDRJPWPXQYNEF-UHFFFAOYSA-N 366.490 4.258 0 40 FIAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCOC 6665254 JPSMXOSGZORXHJ-UHFFFAOYSA-N 354.454 4.033 0 40 FIAB C=CCn1c(C)c(/C=C(\Sc2nnc(CC)o2)C(=O)O)c2ccccc21 7364459 WCCTWFLMTGXJEW-WJDWOHSUSA-N 369.446 4.299 0 40 FIAB C[C@H](OC(=O)Cc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl 7562331 OYXPGZCFAZOCFN-JTQLQIEISA-N 370.207 4.245 0 40 FIAB CC(=O)Nc1cccc(-c2nnc(SCc3ccc(Cl)cc3)[nH]2)c1 7605071 RFKPBXNQWXCMDO-UHFFFAOYSA-N 358.854 4.376 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2)c1 7716649 PQDUKLXHYDSKFP-GOSISDBHSA-N 374.868 4.133 0 40 FIAB C[C@@H](SCC(=O)Nc1nc2c(s1)CCCC2)c1nc2ccccc2[nH]1 7738515 SNEHASBVVDKFON-LLVKDONJSA-N 372.519 4.331 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1Cl 7882106 MDOWNJDNVLPJSH-ZBFHGGJFSA-N 356.853 4.197 0 40 FIAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 7928651 QRQHJJLVEWCIDQ-GOSISDBHSA-N 351.446 4.073 0 40 FIAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccccc2Cl)CC1=O 7929287 BCFCRPREHGTGGR-GFCCVEGCSA-N 364.228 4.260 0 40 FIAB COc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1OC 7953350 UZPYQBDJAKSLCZ-UHFFFAOYSA-N 363.413 4.459 0 40 FIAB CCN(CC)c1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 7983504 BPLUMMPKLQFDBU-KRWDZBQOSA-N 362.477 4.210 0 40 FIAB CN(CC(=O)NCc1ccccc1Cl)Cc1ccc2ccccc2c1 8127392 LSHUYWJCJIVCMU-UHFFFAOYSA-N 352.865 4.241 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)Sc2nnc3ccccn23)cc1 8392725 QEJPCBRCGVXQFU-KGLIPLIRSA-N 354.479 4.362 0 40 FIAB COCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 8469138 CGDXVDHLBIFXNX-UHFFFAOYSA-N 370.276 4.317 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2)n1 8476939 QCEVMIRYRRLKQC-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3C)o2)cc1 8550653 OFKUNMZBAFTGKL-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCCCC1 9063667 SFHUAYHQEFRGDY-UHFFFAOYSA-N 352.881 4.094 0 40 FIAB CCc1ccc2nc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)sc2c1 9153950 RJGIKZXAXOKUMK-UHFFFAOYSA-N 373.522 4.082 0 40 FIAB Cc1nc(COc2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cs1 9318844 NUCGTCKCPUKUOX-UHFFFAOYSA-N 364.430 4.159 0 40 FIAB COc1ccc(CN(C(=O)c2ccc3nc(C)c(C)nc3c2)C2CC2)cc1 9578104 PRYVRMSJIMPZKR-UHFFFAOYSA-N 361.445 4.060 0 40 FIAB C[C@H](NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccn1 9885551 UDIWTIQWDRNSCY-HNNXBMFYSA-N 350.393 4.291 0 40 FIAB Cc1cc(C)c2[nH]c(C(=O)NCCc3nc(-c4ccccc4)no3)c(C)c2c1 12198283 LVOQWSITCLTDDE-UHFFFAOYSA-N 374.444 4.116 0 40 FIAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 12401545 HGTRFDQIWCLDLV-INIZCTEOSA-N 363.461 4.221 0 40 FIAB CC(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 12420754 SYSBLEXUNQNZSJ-KRWDZBQOSA-N 350.447 4.025 0 40 FIAB COC(=O)c1ccc(CS[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 13012326 WIMCVNAWFVMHTR-AWEZNQCLSA-N 369.486 4.222 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)c(C)c1 13673346 LKAYHONRICVNFS-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB CC(C)c1n[nH]c(SCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 14016938 WCMPIPNQMAIYRO-VIFPVBQESA-N 373.309 4.204 0 40 FIAB COc1ccnc(NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)n1 14124028 HYUNSEDEUKYVHQ-OAHLLOKOSA-N 350.447 4.272 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 14796232 HSWVOVVIGZWWCU-UZLBHIALSA-N 368.477 4.319 0 40 FIAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1 15525543 TUPJCMASKBDGJQ-CYBMUJFWSA-N 356.422 4.352 0 40 FIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1Cc2ccccc2O1 15588234 IGNRHXMQOKRYFB-INIZCTEOSA-N 358.369 4.031 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N(C)C)o1 15860358 OJCHCVSFIKWQPT-QGZVFWFLSA-N 354.450 4.292 0 40 FIAB Cc1cc(Cl)ccc1-n1ncc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 15880916 BZYIBNNQGRPAAI-BETUJISGSA-N 355.873 4.260 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)cc1C(C)(C)C 16780148 ISZXSKAWAJXCLZ-OAHLLOKOSA-N 361.507 4.422 0 40 FIAB Cc1cccc2cnc(C3CCN(C(=O)c4ccn(C(F)F)n4)CC3)cc12 19236691 YIZFUKDVHOQTEQ-UHFFFAOYSA-N 370.403 4.155 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1C 20144020 NADNBHWLUCVHMH-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC 20489795 BJOLKXPVSRXJRN-QWHCGFSZSA-N 363.841 4.002 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(-n2cc(Br)cn2)cc1 27917908 MVDIMCLOWGAYRL-UHFFFAOYSA-N 357.211 4.279 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 29214755 ANUACOGOHZMKNF-UHFFFAOYSA-N 357.425 4.301 0 40 FIAB CC[C@H]1CCCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C1 30142436 LNWKWWAUHFITNM-HNNXBMFYSA-N 353.491 4.045 0 40 FIAB NC(=O)Nc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1 32058375 MDSJONHZDBMPGZ-UHFFFAOYSA-N 357.841 4.281 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C)cc2)cc1OC 32895140 ASYXNPXZFLBKRC-APWZRJJASA-N 369.461 4.143 0 40 FIAB COc1ccccc1OC(=O)N[C@H]1c2ccccc2O[C@@H]2CCCC[C@@H]21 37613816 UXLAGYWHKLXIQR-VPWXQRGCSA-N 353.418 4.476 0 40 FIAB Cn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2cc(F)ccc21 38487637 LHNPULKERMXTKT-UHFFFAOYSA-N 355.756 4.048 0 40 FIAB O=C(CCSc1ccccc1Cl)Nc1ccc(-n2cccn2)nc1 40057862 NQGDMBDHTXKJRZ-UHFFFAOYSA-N 358.854 4.042 0 40 FIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCCc2ccccc21 41095849 ZFDGLVTUSMBZOM-UHFFFAOYSA-N 356.274 4.443 0 40 FIAB CCCn1nc(C)cc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 44900631 OEWKJAVGMPPFRG-UHFFFAOYSA-N 358.858 4.088 0 40 FIAB Cc1cccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2Cl)c1 45891536 FEKGPNUBUFJWLV-UHFFFAOYSA-N 367.261 4.449 0 40 FIAB COc1ccc(C(N)=O)c(OCC(=O)c2ccc(C3CCCCC3)cc2)c1 48324607 KVTYKIFSIKTYPJ-UHFFFAOYSA-N 367.445 4.104 0 40 FIAB CC(=O)Nc1ccc2onc(-c3sc4nc(C)cc(C)c4c3N)c2c1 78549363 POYJILZOIMENMZ-UHFFFAOYSA-N 352.419 4.262 0 40 FIAB CC(C)n1c(CCNC(=O)Cc2cn(C)c3ccccc23)nc2ccccc21 79476500 HSHIFPLRNAFRIL-UHFFFAOYSA-N 374.488 4.010 0 40 FIAB C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(F)c(F)c1 84647867 VYGSYIFHUXGHFW-XHDPSFHLSA-N 370.440 4.081 0 40 FIAB CC[C@@H](C)n1ncc(C(=O)OCc2ccc(OC)c(OC)c2)c1C1CC1 89718778 SBIVCUWEHDTBAG-CYBMUJFWSA-N 358.438 4.106 0 40 FIAB C[C@H](C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccsc1 95975754 XMWJEGSOHRCGDK-KNXALSJPSA-N 369.408 4.205 0 40 FIAB O=C(C[C@H]1OCCc2ccccc21)n1cccc/c1=N\C1CCCCC1 101141714 MXXYRTQHJHRJJC-VLMSHNLISA-N 350.462 4.066 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(O)cc2)C[C@H](c2ccccc2)C1 102590558 BSMRXSHVHZSAAD-YWZLYKJASA-N 358.401 4.049 0 40 FIAB CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(F)c(Cl)cc1Cl)C2 112665320 LXUWKZJLRJGVQW-UHFFFAOYSA-N 370.255 4.188 0 40 FIAB Cc1nnc(SCC(=O)c2ccc3c(c2)CCO3)n1[C@@H]1CCC[C@H](C)C1 127160697 MCQJJIQEBPWOOM-SUMWQHHRSA-N 371.506 4.248 0 40 FIAB Cc1cc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2nc1C 215707824 AOQULQDWNVVWSM-UHFFFAOYSA-N 366.368 4.161 0 40 FIAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218957182 YLAODPGDAUKZNN-LJQANCHMSA-N 369.461 4.055 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(CC)cc1 222886354 XXQBNOYOJHVDIB-HXUWFJFHSA-N 368.477 4.185 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)cc1 222945315 GFIZCNYNOHKCEO-SFHVURJKSA-N 355.434 4.276 0 40 FIAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 223898097 MCQKPAAWRBODJY-INIZCTEOSA-N 373.324 4.427 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 224706919 WSGUDXYKMYVPGO-QGZVFWFLSA-N 352.478 4.403 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)ccc1F 224888047 UBODJCNOZZHLJV-ROUUACIJSA-N 353.422 4.299 0 40 FIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225745410 WHRICHBPJYCKGH-NRFANRHFSA-N 364.530 4.331 0 40 FIAB Cc1cc(C)nc(Nc2ccc(C(=O)NCCC3=CCCCC3)cc2)n1 225913464 LAYKVSHFONYIAX-UHFFFAOYSA-N 350.466 4.457 0 40 FIAB COC(=O)c1ccc(CSc2nc(C)cc(-c3ccc(OC)cc3)n2)o1 408558426 UOLSGKKJQGLXQA-UHFFFAOYSA-N 370.430 4.133 0 40 FIAB CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 409406796 CQNOIKSIGRFOJM-UHFFFAOYSA-N 374.506 4.024 0 40 FIAB Cn1cc(CNC[C@@H]2SCCc3ccccc32)c(-c2cccs2)n1 538755615 FAXNMADJNNJZKG-SFHVURJKSA-N 355.532 4.269 0 40 FIAB COCc1ccc([C@@H]2CCCN2C(=O)c2cccc3c2OCC3(C)C)o1 684061278 VLUNSHHRJZNPIJ-KRWDZBQOSA-N 355.434 4.073 0 40 FIAB Cc1ccc(NC(=O)C2CCN(c3nc4cccc(C)c4s3)CC2)nc1 684568555 RJGLSJIBRYLTEV-UHFFFAOYSA-N 366.490 4.163 0 40 FIAB CCN(C(=O)COc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 932825 NUQXRXDTXOWMCJ-UHFFFAOYSA-N 356.422 4.381 0 40 FIAB O=C1NC(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S1 974520 QZGIBSQRUJENCA-KPKJPENVSA-N 350.193 4.033 0 40 FIAB O=C1C[C@@H](c2ccc3c(c2)OCCO3)Oc2c(Cl)cc(Cl)cc21 1504704 RFCBXKDMPQRACQ-HNNXBMFYSA-N 351.185 4.471 0 40 FIAB biogenic O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 2190092 UXLPGVYGWKJLDT-NRFANRHFSA-N 359.425 4.291 0 40 FIAB COc1ccc(-c2nc3cc(N4C(=O)c5ccccc5C4=O)ccc3[nH]2)cc1 2444454 KXFZPCKWPLJIMG-UHFFFAOYSA-N 369.380 4.039 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc[nH]1 2634311 CJVNSMIQIHINFO-UHFFFAOYSA-N 360.442 4.237 0 40 FIAB aggregator C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 2648828 IFDLRNVIOGVINV-SFHVURJKSA-N 373.452 4.344 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 2720386 SLWLUEDQCYOSPZ-CQSZACIVSA-N 365.886 4.273 0 40 FIAB COc1ccc([C@H](CNC(=O)c2cc3ccccc3o2)N2CCCC2)cc1 3331085 PNETWOCRUSFOJR-IBGZPJMESA-N 364.445 4.008 0 40 FIAB COc1ccc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(OC)c1 3371151 LWECJYOHFKUKMA-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB COc1ccccc1C(=O)N1CCN=C1SCc1cc(C)ccc1C 4120298 FGKTYMAMOQIZDZ-UHFFFAOYSA-N 354.475 4.057 0 40 FIAB O=C(c1c(F)cccc1Cl)N1CCN=C1SCc1ccccc1F 4120537 GZAPVSAIWWGKSF-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB CCOc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 4570737 YMMAMNFRHWNDDY-UHFFFAOYSA-N 366.486 4.490 0 40 FIAB Cc1ccc2c(c1)[C@H](O)C[C@@H](C)N2C(=O)c1ccc(Br)cc1 4742638 SDEWODWVTXANBO-SJKOYZFVSA-N 360.251 4.230 0 40 FIAB Cc1nn(C)c2nc(C(=O)Nc3ccc(-c4ccno4)cc3)cc(C3CC3)c12 4744925 FNFODBNKRCWWDL-UHFFFAOYSA-N 373.416 4.061 0 40 FIAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1 4746175 BYXOBSBAQAKJRU-HXUWFJFHSA-N 368.908 4.137 0 40 FIAB Cc1ccc(C(=O)C[C@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 4954240 JCEROBPQHDBUFY-HXUWFJFHSA-N 354.427 4.376 0 40 FIAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5226928 XEKDDLIAJWEAHP-ROKWAXAGSA-N 374.521 4.347 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)sc3C)o2)cc1 5314851 OBINJYHJNAUVPH-UHFFFAOYSA-N 360.460 4.399 0 40 FIAB COc1ccc(-c2nc(COC(=O)c3ccccc3)cs2)cc1OC 6065502 INFOKNZEKMULAH-UHFFFAOYSA-N 355.415 4.184 0 40 FIAB COc1ccccc1-c1nnc(SCCCC(=O)c2cccs2)n1C 6087451 IIXIUGUVDVBARU-UHFFFAOYSA-N 373.503 4.307 0 40 FIAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cccc3cccc1c23 6128171 OPENFLFGWANTTE-LBPRGKRZSA-N 350.805 4.481 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 6372771 JOGOZGKSXFDPCO-ONNFQVAWSA-N 367.323 4.254 0 40 FIAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccncc1 6490136 BIDUCGVJUGLBRE-UHFFFAOYSA-N 374.469 4.488 0 40 FIAB Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1 6828810 ARXJSISRKRSPOV-UHFFFAOYSA-N 368.359 4.109 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 7495462 IUTKCGINVXLWMJ-FQEVSTJZSA-N 372.896 4.155 0 40 FIAB Clc1cc(CSc2nnc(C3CC3)n2C2CC2)cc2c1OCCO2 7990001 LUBUXJVXSJYUNR-UHFFFAOYSA-N 363.870 4.207 0 40 FIAB CC(C)c1ccc(-c2csc3ncn(CCCN(C)C)c(=O)c23)cc1 7996762 RGYPPUFFZJIQEL-UHFFFAOYSA-N 355.507 4.200 0 40 FIAB COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(Cl)c(OC)c(OC)c1 8129114 VUJYACSOLUTUPG-LBPRGKRZSA-N 363.841 4.165 0 40 FIAB Cc1cccc(OCCn2cnc3c(sc4nc(C)cc(C)c43)c2=O)c1 8194635 NVBXJIDHYGGBFM-UHFFFAOYSA-N 365.458 4.010 0 40 FIAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(-n2cccc2)cc1 8231404 DAPLTUMZSLKUTQ-UHFFFAOYSA-N 359.473 4.003 0 40 FIAB CC[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 8734976 CMLSJDSDXGZUAJ-RHSMWYFYSA-N 374.893 4.410 0 40 FIAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)cc1Br 9062021 ZPUQPTWDMZIENG-ZDUSSCGKSA-N 368.296 4.105 0 40 FIAB O=C(Nc1ccc(I)cc1)Nc1ccc(F)cc1F 9376041 JPVGLKWDDVXLPZ-UHFFFAOYSA-N 374.128 4.213 0 40 FIAB C[C@@H]1C[C@@H](Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)O1 9516053 BSNGISICPXGOIQ-CZUORRHYSA-N 363.442 4.002 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)cc1 9614690 DOEFOIYODSDMHO-UHFFFAOYSA-N 367.474 4.364 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cn2cncn2)cc1 11199361 BMZKXUJBZWYTNN-UHFFFAOYSA-N 370.412 4.371 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CCCc2nc3ccccc3s2)c1 12775854 XGUSUAMDTKYNDI-UHFFFAOYSA-N 353.447 4.216 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2Cl)cc1 12790464 RNYWXTCQGPMXPH-YWZLYKJASA-N 372.896 4.363 0 40 FIAB c1cncc(-c2nc(NCc3ccc4c(c3)OCO4)c3ccccc3n2)c1 13684499 YUWBDJGMRDLVJX-UHFFFAOYSA-N 356.385 4.033 0 40 FIAB O=c1c2cc(OCc3ccc(Cl)cc3)ccc2nc2n1CCCCC2 13723036 GOVIPIKBZFPGNK-UHFFFAOYSA-N 354.837 4.355 0 40 FIAB Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1CO 14093881 ZMEDPVJREMIKBL-UHFFFAOYSA-N 359.223 4.228 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)c3ccco3)s2)cc1OC 14093889 UOMUKEZQNQHKDD-NSHDSACASA-N 372.446 4.220 0 40 FIAB CCCSc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)s1 14115083 AAOIDZZGTORZNF-SECBINFHSA-N 364.521 4.130 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1 14181547 LXEPHIAOKCZLAK-KRWDZBQOSA-N 373.449 4.151 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCCSCc2ccc(Cl)cc2)c1 14398851 FAUTZVPOJZOMDK-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB COc1ccc(/C=C/c2nc3n(n2)C(=C(C)C)C(=O)Nc2ccccc2-3)cc1 15110159 CYFGOUOMJZATCH-JLHYYAGUSA-N 372.428 4.327 0 40 FIAB Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(Br)c1 15737980 YCKHEUJYDMUBBT-UHFFFAOYSA-N 373.250 4.137 0 40 FIAB Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 15936014 QYDSTQNKNZLRHE-HNNXBMFYSA-N 355.413 4.017 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 17073331 QTYPBXSJZNITPO-GOSISDBHSA-N 354.454 4.034 0 40 FIAB C[C@@H](C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1)n1cc(Cl)cn1 19078391 WZECZAVZNSWEII-WMLDXEAASA-N 368.868 4.052 0 40 FIAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(F)cc2)cc1OCC 20035120 ZBDUIJQSNRAKCW-OAHLLOKOSA-N 359.441 4.433 0 40 FIAB CCCCCCOc1ccc(/C=C2/SC(=O)N(CN(C)C)C2=O)cc1 20265986 MTBBITDSESMAEU-GHRIWEEISA-N 362.495 4.201 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OC 20451088 PBJNIMUUSAPMHT-MRXNPFEDSA-N 368.477 4.188 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 20460917 NXCAVYXXIWAXPQ-KRWDZBQOSA-N 352.478 4.172 0 40 FIAB CCC[C@@H](NCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 22384861 HKQSYAQMRUSWNN-MRXNPFEDSA-N 367.518 4.494 0 40 FIAB COc1cc2nc(CSc3ccc(C(C)C)cc3)[nH]c(=O)c2cc1OC 31817753 IBAIPYVXFSDKNG-UHFFFAOYSA-N 370.474 4.356 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccnn1Cc1ccco1 32593354 BRBDNPMGTKSLBB-HNNXBMFYSA-N 367.449 4.228 0 40 FIAB Cc1ccc(NC(=O)N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)cc1 32814628 NJXQGLPTYOAMJR-LJQANCHMSA-N 365.477 4.105 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 35672571 BSBYMRPOVPDMRA-JXMROGBWSA-N 350.393 4.386 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc2)cc1 36247919 HEMVXKLEXNDQBG-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB Cc1cc(=O)n2nc(Oc3cc(Cl)c(Cl)cc3Cl)sc2n1 36392895 MJOSYNFINZXSEA-UHFFFAOYSA-N 362.625 4.212 0 40 FIAB O=C(NCCCOc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1 38680896 YYXMJGMHFJTOAM-UHFFFAOYSA-N 374.362 4.453 0 40 FIAB O=C(c1ccccc1Cl)N1CCC(c2nnc(-c3ccco3)o2)CC1 38903494 IPCPPUHAKIIMHI-UHFFFAOYSA-N 357.797 4.003 0 40 FIAB CCN(C(=O)c1ccc2c(c1)NC(=O)CS2)c1nc2ccccc2s1 39975981 DMZDTJOJNPYYKD-UHFFFAOYSA-N 369.471 4.007 0 40 FIAB COc1ccc(CNC(=O)N(Cc2ccsc2)Cc2ccco2)cc1 42382109 MNNIFPBWHVFNNE-UHFFFAOYSA-N 356.447 4.262 0 40 FIAB CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1 44900701 AULGMLLTOJLCQK-IBGZPJMESA-N 358.441 4.376 0 40 FIAB COc1cc(CNC(=O)Nc2ccc3c(ccn3CC(C)C)c2)ccn1 58328991 MCBWBJDSECTEOR-UHFFFAOYSA-N 352.438 4.023 0 40 FIAB CO[C@H](C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 58370728 GOXFFFPNGIDDDS-SFHVURJKSA-N 363.442 4.389 0 40 FIAB Cc1cc(NC(=O)N[C@H]2CCSc3ccc(F)cc32)n(C(C)(C)C)n1 65771537 VQHUQXQCQHUGNA-AWEZNQCLSA-N 362.474 4.444 0 40 FIAB COc1ccc(OC)c(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)c1 67339571 FBQCJLQTELJZMW-RMKNXTFCSA-N 353.374 4.111 0 40 FIAB CC(C)n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2c(Cl)cc(Cl)cc21 72404038 WMSUNOVTDLMCBF-INIZCTEOSA-N 365.220 4.001 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2CCC(c3cccs3)CC2)cc1 75157076 SPUOEVFRGXQHEZ-UHFFFAOYSA-N 365.520 4.105 0 40 FIAB CO[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 78877233 AVMWLWZOBKQSDM-INIZCTEOSA-N 371.786 4.405 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CC(c2cccc(F)c2)=NO1 95954359 QUMZXYKPPUJJSK-IBGZPJMESA-N 361.376 4.019 0 40 FIAB CO[C@](C)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1F 96123499 WNRYZHIJAVJYRM-QGZVFWFLSA-N 356.224 4.424 0 40 FIAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(C)c(C)c1 102202439 MFUYWYFKMIFMBM-UZLBHIALSA-N 354.475 4.247 0 40 FIAB Cc1ccc(C)c(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 218951916 FMQJNGFFNUCSDD-GOSISDBHSA-N 353.462 4.409 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 219044648 HDXMXIBMXUVXHR-MSOLQXFVSA-N 363.457 4.499 0 40 FIAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222572400 RPXQTCDVLRFWPJ-FASAQXTFSA-N 369.490 4.078 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cccc(C)c2C)c2ccccc12 222619720 YVKINSSSLWZVMU-OAHLLOKOSA-N 351.402 4.152 0 40 FIAB CC[C@H](C)Oc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C(=O)OC 225792579 AOQZTYDZEUOJGE-XOBRGWDASA-N 365.470 4.040 0 40 FIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225824471 LMDIQJNPOHVKAI-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB CCc1ccc([C@H](CC(=O)O)c2c(O)c3c(C)cc(C)cc3oc2=O)cc1 226758519 HLGPETVXXCCEBT-INIZCTEOSA-N 366.413 4.284 0 40 FIAB C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1cccc(F)c1 227152690 MCWMWVPBEQYQRM-GFCCVEGCSA-N 359.788 4.071 0 40 FIAB O=C1N/C(=C/c2c(F)cccc2Cl)C(=O)N1c1ccc(Cl)cc1 409172685 GAWJLNWMUYITCV-RIYZIHGNSA-N 351.164 4.230 0 40 FIAB COc1ccc(CCNC(=O)N[C@H](C)Cc2csc3ccccc23)cc1 575622188 XJQZRUIHFPRSIU-OAHLLOKOSA-N 368.502 4.383 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCO[C@@H](c3ccccn3)C2)cc1 585177739 YPLKMCIYIWNEEH-JOCHJYFZSA-N 374.440 4.020 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)c1ccccn1)N1CC(c2ccccc2)C1 1565436798 WTDHKBUXLRONRB-QFIPXVFZSA-N 357.457 4.174 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2N1c1cccc(F)c1 1615160265 YPQBGFZKIFSLGE-BEFAXECRSA-N 372.509 4.336 0 40 FIAB Cc1nc(N2CC(n3c(C4CC4)nc4ccccc43)C2)cc(C(F)(F)F)n1 1888897204 OAHQDZRWGMFVFW-UHFFFAOYSA-N 373.382 4.092 0 40 FIAB Cc1cncc(C(=O)N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)c1 1890186766 LIJDUXJKUDLIPR-UHFFFAOYSA-N 372.472 4.230 0 40 FIAB Cc1ccsc1CN1CCC(Nc2ccccc2)(C(=O)NC(C)C)CC1 2055756431 NDVBKIOUMLFAKE-UHFFFAOYSA-N 371.550 4.028 0 40 FIAB O=C(NCCCc1nc2ccccc2[nH]1)c1cc(F)c(Cl)cc1Cl 11486387 MPGBCGBLTBQRJT-UHFFFAOYSA-N 366.223 4.371 0 40 FIAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(F)c3)cc12 11565783 DFMJQJXTABYPOP-UHFFFAOYSA-N 355.365 4.022 0 40 FIAB Cc1ccsc1CN(C)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 45841564 DILFIGLNLKSHQX-UHFFFAOYSA-N 371.506 4.137 0 40 FIAB C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C(F)(F)F)cc1 29238830 UXECHGGUAYSYRY-NSHDSACASA-N 361.319 4.303 0 40 FIAB COC1CCN(CCCn2c3ccccc3c3ccc(C(C)=O)cc32)CC1 1688515 HICCLVSOFFSGPO-UHFFFAOYSA-N 364.489 4.498 0 40 FIAB CC(C)Oc1ccc(-c2noc(C(=O)N[C@@H](C)c3ccccc3)n2)cc1 20736710 VPMBIOVKSMGLRW-AWEZNQCLSA-N 351.406 4.015 0 40 FIAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1F 2475979 KJVSNYCQSQRGDK-UJKMTWAASA-N 369.395 4.222 0 40 FIAB Cc1ccc(-c2nc3nc(-c4ccccc4)nc(N4CCOCC4)c3o2)cc1 41154759 RANRVSYHCAUTOJ-UHFFFAOYSA-N 372.428 4.097 0 40 FIAB O=C(c1csc2c1CCCC2)N1CCC(OCc2ccccc2)CC1 32837369 ZIFLZYUHPCPMGE-UHFFFAOYSA-N 355.503 4.448 0 40 FIAB CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1Cl 8326321 QUCRVSIDRFHUSI-INIZCTEOSA-N 354.277 4.433 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)c1 21806655 SPKWQFUFMUAIJC-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB Cc1c(Cl)cnn1[C@@H](C)c1nnc(-c2ccccc2OC(F)F)o1 2788141 KTJXBNPYLAIWQI-VIFPVBQESA-N 354.744 4.106 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccn(COc2ccccc2Cl)n1 2795703 YTOSBVUQBATGPN-UHFFFAOYSA-N 362.216 4.479 0 40 FIAB CC(C)c1cc(C(N)=O)c(NC(=O)Cc2c(Cl)cccc2Cl)s1 648307 CYMXFWDZHZTFBG-UHFFFAOYSA-N 371.289 4.458 0 40 FIAB CCCCc1noc(CN2CCC[C@@H]2[C@@H]2CCCN2Cc2ccccc2)n1 70038883 YCNPNNCYPGNXTO-VQTJNVASSA-N 368.525 4.041 0 40 FIAB O=C1CCCN1CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 12409493 OTNBZIAAOCNLRL-UHFFFAOYSA-N 367.276 4.356 0 40 FIAB CCOC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 956081 VKYAKCBBJPXUGW-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB Fc1ccccc1N1CCN(Cn2c(=S)sc3ccccc32)CC1 23718921 LABQQQZNXZMIPP-UHFFFAOYSA-N 359.495 4.351 0 40 FIAB CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 22618591 POQRXGPWTKLQLY-NHYWBVRUSA-N 359.297 4.053 0 40 FIAB Cc1ccc(NC2=CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl 1786228 NRUCAJVUBZDFFS-UHFFFAOYSA-N 361.228 4.479 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)N(C)C 21322229 UNZKHLZOPYWEOY-MRXNPFEDSA-N 367.276 4.035 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 27662205 MRUPSBYKNRCTOJ-HNNXBMFYSA-N 365.433 4.322 0 40 FIAB Cc1ccc2c(CC(=O)NCc3ccccc3Cn3cccn3)coc2c1C 10234740 ZJYRYCCUVROULR-UHFFFAOYSA-N 373.456 4.153 0 40 FIAB Cc1cc(C)c(C(=O)CSc2nnc(-c3cccs3)n2C)cc1C 3364655 PIHSNJLULSXKNT-UHFFFAOYSA-N 357.504 4.444 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)c1C 28403566 FZKUZVOJVIMXRV-HNNXBMFYSA-N 355.463 4.016 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 2488087 YZHJBTBFODZOGE-STQMWFEESA-N 366.383 4.176 0 40 FIAB COc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1 2409375 SMMDROIKXKFOOU-UHFFFAOYSA-N 364.493 4.143 0 40 FIAB Oc1ccccc1-c1nn(CN2CCCCC2)c(=S)n1-c1ccccc1 20734757 VXMYGVMHBJEJFV-UHFFFAOYSA-N 366.490 4.219 0 40 FIAB O=C(NCCSCc1cccs1)NCCSCc1cccs1 48262749 IUCMJKXZJULLSC-UHFFFAOYSA-N 372.606 4.275 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c2c1 3493557 NLCWNNRKUGWMSR-UHFFFAOYSA-N 361.854 4.264 0 40 FIAB CC(C)c1ccccc1OCC(=O)Nc1cnc2c(cnn2C(C)C)c1 12926869 LURNGRJRZBZQAX-UHFFFAOYSA-N 352.438 4.153 0 40 FIAB C[C@@H]1Oc2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2NC1=O 13007804 FMFAGZDKLRDHED-VIFPVBQESA-N 356.378 4.012 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1 13041924 FPQRKQZJGDNSPC-UHFFFAOYSA-N 352.356 4.097 0 40 FIAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(-n2cncn2)cc1 8403511 UEWKWNVLGMHEFI-JXMROGBWSA-N 367.412 4.085 0 40 FIAB Cc1ccc2c(c1)[C@@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 13787946 UWECSWSUUKRNDN-QFIPXVFZSA-N 352.397 4.090 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20143969 SASLLSWJXMWOTQ-UHFFFAOYSA-N 361.825 4.353 0 40 FIAB CC(C)C1CCC(C(=O)N[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)CC1 9195356 HQZOXHDKVHUKNP-SDEKRAFDSA-N 372.553 4.467 0 40 FIAB CC(C)(C)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 5212828 AIYJLQFFXPMECY-UHFFFAOYSA-N 357.504 4.365 0 40 FIAB C[C@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(-n2cncn2)cc1 13987234 CICQWRIXCZYNFG-AWEZNQCLSA-N 366.490 4.089 0 40 FIAB Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccccc2)C1=O 5451192 BVRNMEZLLCAGQF-HSZRJFAPSA-N 370.452 4.425 0 40 FIAB Cc1cc(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c(C)n1C1CC1 6509343 DSECCNSSEUYSOL-UHFFFAOYSA-N 367.232 4.181 0 40 FIAB COC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 4659759 UPEQMTXVSSIJRY-UHFFFAOYSA-N 362.381 4.368 0 40 FIAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1Nc1ccccc1 5559299 FSYHZEHIYLRCQA-UHFFFAOYSA-N 374.440 4.246 0 40 FIAB COc1ccccc1Nc1nnc(SCc2cn3ccccc3n2)s1 6608800 FKEBGUHHKOKARZ-UHFFFAOYSA-N 369.475 4.230 0 40 FIAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1 14602433 HOPMMYOCZAENTN-HSZRJFAPSA-N 370.496 4.209 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3cccc4ccccc34)[nH]c2c1 4741879 WXASJBPTALTNMQ-UHFFFAOYSA-N 363.442 4.456 0 40 FIAB Cc1cc(NC(=O)CNC2CCCCCCC2)ccc1Br 5752727 NFLZAKWSWDYWAE-UHFFFAOYSA-N 353.304 4.399 0 40 FIAB COc1ccc(C2(CNC(=O)c3sccc3C3CC3)CCOCC2)cc1 67233826 JVWMMAAEQVHBSM-UHFFFAOYSA-N 371.502 4.112 0 40 FIAB COc1ccc2nc(C)c(C(=O)N(Cc3ccsc3)C3CC3)cc2c1 84028560 LDDJBPJQIDLWDC-UHFFFAOYSA-N 352.459 4.418 0 40 FIAB CC(C)CCOc1ccc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)cc1 79104871 HYCLGPNZENOKMN-RXVVDRJESA-N 369.505 4.396 0 40 FIAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCC[C@H](C(F)(F)F)C1 89779348 AFABITFFUBEHSY-LBPRGKRZSA-N 367.346 4.379 0 40 FIAB CC[C@H](C)n1ncc(C(=O)Nc2ccc(N3CCCCC3)cn2)c1C1CC1 89749933 XILNDPLDLFYUBD-HNNXBMFYSA-N 367.497 4.369 0 40 FIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C)cc1Br 408707713 CPJQKANNBIVCOH-CYBMUJFWSA-N 369.303 4.029 0 40 FIAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(F)c2[nH]1 33064182 WKCFPBZCDAZHQH-UHFFFAOYSA-N 370.449 4.102 0 40 FIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cccs1 408714035 HAYQJHHUAFSXNX-UHFFFAOYSA-N 355.463 4.368 0 40 FIAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2SCc1cccc(F)c1 35682717 ZBSAAAIJDWCESL-QGZVFWFLSA-N 374.481 4.102 0 40 FIAB COc1cc(C(=O)Nc2cc(F)ccc2C)cc(Br)c1OC 408624972 WIVNCBBYSDWJBN-UHFFFAOYSA-N 368.202 4.166 0 40 FIAB Cc1nc2cc(N[C@@H](C)C(=O)N[C@@H](C)CCc3ccccc3)ccc2o1 39975595 NDJMQYBJHXFGQS-GJZGRUSLSA-N 351.450 4.074 0 40 FIAB CC(C)Cc1ccccc1CN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 1560116804 JZVRJUPOKPIQIS-OAQYLSRUSA-N 352.478 4.342 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(OC2CCCC2)cc1 31638995 CUOHLUMBVDVOFB-UHFFFAOYSA-N 367.445 4.351 0 40 FIAB Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccco3)OC2=O)c1 408837990 BDVMSMHMEFTUNY-GHRIWEEISA-N 373.364 4.152 0 40 FIAB COc1cccc2c1N(C(=O)c1cc(F)ccc1Br)CCC2 30575011 QGTULYLMYDULAE-UHFFFAOYSA-N 364.214 4.190 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)C12CCCCC2 70666472 QYESQEDVDNPDIU-VQIMIIECSA-N 356.510 4.252 0 40 FIAB biogenic CC(C)N1CCC[C@H]1c1nc(-c2ccc(OC3CCCCC3)nc2)no1 35425530 WUKKUXMCGJUKMI-KRWDZBQOSA-N 356.470 4.388 0 40 FIAB biogenic,in-vitro COc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc2ccccc12 219038874 INUALBYAIZEOBN-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB COc1cccc(NC2CCN(C(=O)CCCc3cccs3)CC2)c1 78832349 OTMOAVNHYYLHLZ-UHFFFAOYSA-N 358.507 4.183 0 40 FIAB Cn1nc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 72346875 KKRZGKSQMOFKIR-ZNXRZULTSA-N 369.484 4.408 0 40 FIAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3cccnc3)n2)c1 72357801 UJEJIAJZOYQPCL-JOCHJYFZSA-N 373.456 4.053 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3cc(F)ccc3OC)cs2)cc1 40111289 FDYRTLQRDVMIKW-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB O=C(Nc1ccccc1-c1ccccc1)c1coc(NC(=O)C2CCC2)n1 75172293 ODFJUFDAPWEBNX-UHFFFAOYSA-N 361.401 4.333 0 40 FIAB Cc1ccc(CSCC(=O)Nc2nnc(SC(C)C)s2)cc1 222726403 LVBSJAIAQLCOHY-UHFFFAOYSA-N 353.538 4.219 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CC1 222819677 GPVGAFDUDTZQGN-RTBURBONSA-N 354.523 4.216 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 223439505 XMJMHPNFNUSIRJ-UHFFFAOYSA-N 352.478 4.403 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1 242975214 HPILIDOYDJHBEC-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCNC[C@H]3C[C@H]21 257277569 NYMGABYFCFKRPP-DDJZRCTDSA-N 359.510 4.425 0 40 FIAB Cc1noc(C(F)F)c1C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 673639624 LEYQBVIZFJEZFO-UHFFFAOYSA-N 363.295 4.499 0 40 FIAB O=C(Nc1cccc(-n2ccnn2)c1)Nc1ccc(Cl)c2ncccc12 676123574 NKKYQOUMWZZWCN-UHFFFAOYSA-N 364.796 4.113 0 40 FIAB COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1cc(Cl)nc2ccccc12 1638386771 JUTPOOYXYXVCBV-NQIIRXRSSA-N 366.848 4.357 0 40 FIAB Cc1csc(SCC2CCN(C(=O)Cc3ccc(F)cc3)CC2)n1 90608102 VEGVTZULALKAAI-UHFFFAOYSA-N 364.511 4.164 0 40 FIAB CC(=O)N1CC2(CCN(C3CCCCC3)CC2)C[C@@H]1Cc1ccccc1 1615153988 CIGOSZNEHNXOPX-QFIPXVFZSA-N 354.538 4.265 0 40 FIAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc(Oc2ccccc2)cc1 1772714689 IYWMDICKMZDSSC-INIZCTEOSA-N 371.433 4.389 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccccc3)c2)cc1 5540757 UBQDYXJPOZRCKB-UHFFFAOYSA-N 373.408 4.287 0 40 FIAB COc1ccc2cnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2c1C 12187888 NHMDZRHRKIPPDY-GOSISDBHSA-N 352.478 4.448 0 40 FIAB CCOc1ccc(NCc2cc3ccc(OC)cc3n(CC)c2=O)cc1 13561599 GYORQQSBDRUKLH-UHFFFAOYSA-N 352.434 4.041 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1C 14898343 SKFDMUYUYSLLHC-UHFFFAOYSA-N 360.417 4.406 0 40 FIAB CCc1ccccc1NC(=O)CNC(=S)Nc1c(CC)cccc1CC 16238670 MYHBPLROXGJVOZ-UHFFFAOYSA-N 369.534 4.299 0 40 FIAB O=C(OCc1c(Cl)cccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 16488954 RSYNDNPOMCGGOA-LBPRGKRZSA-N 364.228 4.090 0 40 FIAB CCCOc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 17295033 ZMLIXEIEZLJKJS-UHFFFAOYSA-N 366.461 4.328 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 18891857 DBGWRBICCPPBDT-MRXNPFEDSA-N 369.461 4.146 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc2ccccc2o1 6060998 BKBFQMNSRMCPKG-GJZGRUSLSA-N 354.475 4.446 0 40 FIAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccccc1C(F)(F)F 11027683 WNWIUOAXCMPMNI-INIZCTEOSA-N 368.424 4.334 0 40 FIAB COc1ccccc1Nc1ccc(NC(=O)c2cccnc2S)cc1 1775970962 AOQUBJPOTYSKGW-UHFFFAOYSA-N 351.431 4.375 0 40 FIAB COc1cc(OC)c(OC)cc1COC(=O)c1oc2ccccc2c1C 40047224 HGWHXCWCDOWQQM-UHFFFAOYSA-N 356.374 4.124 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1cc(C)sc1C 40074266 IPZIKMDZROPUCC-ZUEVXXBESA-N 372.534 4.387 0 40 FIAB Cc1ccc(NC(=O)c2cccc(I)c2)cc1C 670279 CLNQUCIMHYGRNF-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(OC)c1OC 819183 CNOHOAYXTKSQPA-UHFFFAOYSA-N 355.478 4.167 0 40 FIAB Cc1ccc(/C=C2/SC(=O)N(CCC(=O)Nc3ccccc3)C2=O)cc1 1190994 JKEJULVECCXSHX-GHRIWEEISA-N 366.442 4.060 0 40 FIAB Cc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)c(Cl)c1 1438061 WQWOBCSHAQGNMK-UHFFFAOYSA-N 350.599 4.212 0 40 FIAB Clc1ccc2oc3c(N4CCN(c5ccccc5)CC4)ncnc3c2c1 2440988 CXCRPGNAAKYEON-UHFFFAOYSA-N 364.836 4.356 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)o2)cc1 2644604 AESUHZBQZVWMPA-UHFFFAOYSA-N 366.851 4.435 0 40 FIAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(=O)O)C3=O)cc1 2751348 GXGJXUPNDHXEFM-UHFFFAOYSA-N 373.364 4.286 0 40 FIAB CCCCCc1nnc(NC(=O)c2ccc(Br)cc2)s1 3016603 BLEHJDXMTPWKCA-UHFFFAOYSA-N 354.273 4.286 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]2C(C)=O)C1 4104864 IEEUFWOXVCPGAH-UDPUNPHXSA-N 374.521 4.057 0 40 FIAB biogenic,in-vitro COc1ccc(Cl)cc1C(=O)N1CCN=C1SCc1ccccc1C 4120029 IPXXMVIOLGJAKG-UHFFFAOYSA-N 374.893 4.402 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)C1=O 4472264 VOVXMWQUJIBQNY-MHWRWJLKSA-N 371.414 4.098 0 40 FIAB Cc1ccc(S(=O)(=O)CC(=O)c2cccc(-c3ccccc3)c2)cc1 4776240 YREZITALWDBKFY-UHFFFAOYSA-N 350.439 4.319 0 40 FIAB CC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 4861792 JMTRASCEMVAXTE-MRXNPFEDSA-N 362.433 4.177 0 40 FIAB Cc1cc(NCCCn2ccnc2)n2nc(-c3ccc(Cl)cc3)cc2n1 4902390 ABPZFWGCBDFITF-UHFFFAOYSA-N 366.856 4.057 0 40 FIAB COc1ccc(-c2ccc(CNc3ccc4[nH]c(=O)[nH]c4c3)o2)cc1Cl 4973813 POJMAJJTEOZPSW-UHFFFAOYSA-N 369.808 4.390 0 40 FIAB aggregator O=C1Sc2ccc(S(=O)(=O)Nc3ccc(F)cc3)c3cccc1c23 5234349 APYCCIPIFXTXHR-UHFFFAOYSA-N 359.403 4.026 0 40 FIAB CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1cccc(O)c1 6743378 VBJBGKRABQVSHC-IBGZPJMESA-N 363.413 4.071 0 40 FIAB CCc1cccc(C)c1NC(=O)CCN1C(=O)CSc2ccccc21 6789042 YVXLXACDBLSLOX-UHFFFAOYSA-N 354.475 4.025 0 40 FIAB CCC(CC)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 7161098 JBCHODPKCGKWIR-UHFFFAOYSA-N 361.511 4.431 0 40 FIAB COc1ccc(N(CC(=O)c2ccc(OC)cc2F)C2=NCCCC2)cc1 7275533 XLESKSCMZXAGAK-UHFFFAOYSA-N 370.424 4.115 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=S)Nc2ccc(Cl)cc2)c1 8149991 OEGSHLOZIRMISP-LLVKDONJSA-N 350.871 4.405 0 40 FIAB COc1ccc(Cc2nnc3sc(-c4ccccc4Cl)nn23)cc1 8392878 VTSITWIOBYHIGH-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB O=C(CCc1nc2ccccc2o1)Nc1ccc2c(c1)OC1(CCCC1)O2 8429513 GZSRMWMHVNQEJR-UHFFFAOYSA-N 364.401 4.441 0 40 FIAB Cc1ccc(CN(C(=O)COc2cccc(Cl)c2)c2ccccn2)o1 8586623 IKGQAPHSYUDDMH-UHFFFAOYSA-N 356.809 4.249 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1 8751886 DEYHJEFLGCFULE-ZDUSSCGKSA-N 357.262 4.261 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 8959834 ZMDOJTGCHLYSIP-UHFFFAOYSA-N 368.433 4.083 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccco3)cc2c1 9234584 FNQKAIRGOKUWID-UHFFFAOYSA-N 372.424 4.272 0 40 FIAB O=C(COc1ccccc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 9865390 NFKWPTFILOXJPL-UHFFFAOYSA-N 367.405 4.219 0 40 FIAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1C 10899872 AYRVOEWWCJDIFL-UHFFFAOYSA-N 352.478 4.266 0 40 FIAB O=C(Cc1cn2ccsc2n1)Nc1ccc(Cl)cc1C(F)(F)F 12601542 FYXCVCRFWQIZOH-UHFFFAOYSA-N 359.760 4.249 0 40 FIAB COc1ccc(-c2cc(COC(=O)c3ccccc3Cl)no2)cc1OC 12726669 TWQDKQDBBGTSAC-UHFFFAOYSA-N 373.792 4.369 0 40 FIAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc(F)c(F)c1F 12807810 DRQUVHNKRIMVFX-UHFFFAOYSA-N 352.337 4.310 0 40 FIAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H](C)n3cccn3)cc2)cc1 12849869 IPTZDQXNSRZHTR-OAHLLOKOSA-N 351.406 4.274 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2F)cs1 12879737 FZSIRYDFMZWBNM-UHFFFAOYSA-N 374.462 4.009 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 12920499 MIOFWJFOPJEBCI-CYBMUJFWSA-N 357.431 4.017 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 14171938 UPQSMJQKFOLLPZ-UHFFFAOYSA-N 365.220 4.095 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2F)o1 15881382 UCFFSUOCJOUAJJ-UHFFFAOYSA-N 364.380 4.032 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)c1 16281479 RMENORBDLUSJOL-UHFFFAOYSA-N 364.420 4.357 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2cc3cnccc3[nH]2)C1 19559012 IWPDXKSWYBGYCM-ZDUSSCGKSA-N 369.852 4.245 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1F 20488427 ZKSOUYAHKIEUTL-SFHVURJKSA-N 361.482 4.341 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 21116966 MKIOMULHIBBWKA-NSHDSACASA-N 351.855 4.477 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 21598672 MAATWNANSHLSAU-LLVKDONJSA-N 361.854 4.262 0 40 FIAB Cc1cc(C(=O)OCc2csc(-c3ccsc3)n2)c2c(C)noc2n1 22519922 AMELDOOGHKZAPQ-UHFFFAOYSA-N 371.443 4.382 0 40 FIAB O=C(CSCc1ccccc1F)Nc1cccc(Br)c1 23410855 RRUDCWKDJLYRNB-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CCc1ccc([C@@H](Nc2cc(C)nc3ncnn23)c2cccc(F)c2)cc1 25052815 FHYLNBVCWXMYPY-HXUWFJFHSA-N 361.424 4.336 0 40 FIAB C[C@H](SCCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 25220530 CLZUSDZKJSVBMY-HNNXBMFYSA-N 357.475 4.151 0 40 FIAB CC(C)c1nnc(NC(=O)c2ccccc2C(=O)c2ccccc2)s1 26601316 KFDOATMJXFXVIX-UHFFFAOYSA-N 351.431 4.145 0 40 FIAB CCOC(=O)c1sc2ncnc(N(C)[C@@H]3CCc4ccccc43)c2c1C 29147906 RAADMTCAWWSUCD-OAHLLOKOSA-N 367.474 4.300 0 40 FIAB COc1cc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)c(OC)cc1Cl 32820194 BJPWHQPIROQXQP-WDEREUQCSA-N 361.825 4.494 0 40 FIAB CC[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 32936984 NJMZBGMJHQJRMN-ILYDUKKLSA-N 370.493 4.210 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c(OC)c1 36358800 GQXNJUZKPIHMSO-MRXNPFEDSA-N 367.380 4.152 0 40 FIAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)c(C)nn12 36615665 ULOOZOZCDUXKFI-UHFFFAOYSA-N 370.623 4.452 0 40 FIAB CC(C)CC[C@@H](C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 36873691 RPJWTZBIPBBSBY-MRXNPFEDSA-N 350.466 4.034 0 40 FIAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 38836926 PUQZKIYUPJQUQO-UHFFFAOYSA-N 371.893 4.107 0 40 FIAB CC(=O)c1cc(C(=O)Nc2cccc(C3SCCCS3)c2)n(C)c1 52990688 FYTPGBKUVUZSAW-UHFFFAOYSA-N 360.504 4.349 0 40 FIAB O=C(CCCc1cccs1)NCc1cccc(NC(=O)N2CCCC2)c1 54348615 MZYMZZHFSWTNRG-UHFFFAOYSA-N 371.506 4.015 0 40 FIAB Cc1cc(NC(=O)CCc2ccco2)n(-c2cccc(C(F)(F)F)c2)n1 58582653 DYVUHSVOAMCQTQ-UHFFFAOYSA-N 363.339 4.364 0 40 FIAB CCc1ncc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)s1 58771631 TVDIPVKYZXWXDP-CYBMUJFWSA-N 352.406 4.114 0 40 FIAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccccn1 67259338 WDKZHXIXIMAXFQ-UHFFFAOYSA-N 373.481 4.175 0 40 FIAB CCOC(=O)c1cn[nH]c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 71980839 OMPKZEJYOCHNQG-UHFFFAOYSA-N 352.234 4.291 0 40 FIAB O=C(NC[C@]1(O)CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 90745955 SNZFLAZZBYOBIW-SFHVURJKSA-N 365.260 4.035 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CC=C(c3ccnc4[nH]ccc34)CC2)c1 95462500 COWWKIVQDBWYLF-KRWDZBQOSA-N 374.488 4.296 0 40 FIAB COc1cc(C(=O)N[C@H](C)CCc2ccccc2)nc2c(F)cc(F)cc12 95471761 YFFGASOKJUPRPB-CYBMUJFWSA-N 370.399 4.273 0 40 FIAB O=C(CCc1ccco1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 95956481 QZCPSDMYEWMNNY-UHFFFAOYSA-N 367.474 4.137 0 40 FIAB CC(O)(c1ccccc1Br)c1ccccc1Br 96171610 UMXWQSLJTUFLDO-UHFFFAOYSA-N 356.057 4.467 0 40 FIAB CCOCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2ccccc21 100873312 UFMQAPFUTGXARK-VLGSPTGOSA-N 366.895 4.195 0 40 FIAB CCOc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1 100970596 HAQROZQZMXLFIK-SFHVURJKSA-N 352.825 4.386 0 40 FIAB CC(C)c1ccc(CCCNC(=O)c2cccc(N3CCCC3=O)c2)cc1 219218146 VZFPPBBJXYOKRZ-UHFFFAOYSA-N 364.489 4.299 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@H](c2cccs2)CC1 219490864 ORGMTMCCKUXTDP-KRWDZBQOSA-N 371.483 4.175 0 40 FIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 219957844 MFDPBGHMGLNMEE-SFHVURJKSA-N 355.434 4.126 0 40 FIAB O=C(CSCc1ccccc1F)NCCCc1ccccc1Cl 222706203 ODRDHKLEZYCUMP-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 223658915 QJUROFUEKCEGGL-VKZJTJHYSA-N 374.440 4.236 0 40 FIAB Cc1ccc(CNC(=S)Nc2ncc(Cl)cc2Br)cc1 223941619 ZISPGNXLPHFRDA-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB S=C(NCCCSCc1ccccc1)Nc1ccc2c(c1)OCO2 225597252 UISIOOXCHPMCRE-UHFFFAOYSA-N 360.504 4.025 0 40 FIAB COc1cccc2cc(C(=O)NC[C@H](OC)c3ccc(Cl)s3)oc12 225702741 QFFKRDQVUCAZQT-ZDUSSCGKSA-N 365.838 4.274 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1C 225706730 SMBWNBHKTDYXDM-HNNXBMFYSA-N 356.491 4.446 0 40 FIAB COc1cc(C)c(S(=O)(=O)NCCCc2ccccc2)cc1C(C)C 225773091 SVXCQVHFCYQLLA-UHFFFAOYSA-N 361.507 4.038 0 40 FIAB O=C(NCc1ccc(-c2ccco2)nc1)c1ccc(OC(F)(F)F)cc1 238967472 ZCCXGZKKBDHEHH-UHFFFAOYSA-N 362.307 4.170 0 40 FIAB Cc1nc(-c2cc(F)ccc2C(=O)O)cc([C@@H]2CCCCN2C(C)C)n1 257253031 JXICXQLQHVRZCD-IBGZPJMESA-N 357.429 4.225 0 40 FIAB CCCn1cc(CN(Cc2ccccc2CO)c2ccc(F)cc2)cn1 257338400 YXFVBXJXICZUTE-UHFFFAOYSA-N 353.441 4.131 0 40 FIAB O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccccc1F 390827589 ZLXXCJDBWFMQQV-HNNXBMFYSA-N 353.465 4.017 0 40 FIAB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC 408733879 BVZCCCLCDOBNIG-UHFFFAOYSA-N 356.447 4.350 0 40 FIAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccccc1F 408811500 LOBZNLARFIBEGD-YVLHZVERSA-N 373.405 4.079 0 40 FIAB Cc1nn(C[C@H](C)C(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c(C)c1C 409412801 HLAXCQGDAIXBDX-BPNWIANQSA-N 365.521 4.143 0 40 FIAB O=C(Nc1cccc(-c2nc(-c3ccc4ncccc4c3)no2)c1)NC1CC1 544154591 GYTWPIHBSWELME-UHFFFAOYSA-N 371.400 4.236 0 40 FIAB CCOc1ccccc1C(F)(F)c1nc(Cc2c[nH]c3ncccc23)no1 545769259 LFCWNDICQIGSFG-UHFFFAOYSA-N 370.359 4.076 0 40 FIAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3nc(C)nn3c2)o1 572049282 OKCJUHPXMWSWQT-GUYCJALGSA-N 367.453 4.198 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)[C@H](C)N3CCCCCC3)s2)cs1 603825735 VOYDTTBOWPTSAI-ZDUSSCGKSA-N 363.552 4.061 0 40 FIAB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)cc1 1662946360 JHWGSQLVXREHPC-QFIPXVFZSA-N 363.482 4.483 0 40 FIAB Cc1cnccc1CN1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 2037988933 NZPJEAWKHNLXDL-NQIIRXRSSA-N 353.485 4.409 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 936306 UAFPUFIFNKHVMC-CSKARUKUSA-N 351.324 4.375 0 40 FIAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCc2ccccc21 948010 XSLMEVFHEQMPNC-OAHLLOKOSA-N 352.261 4.186 0 40 FIAB CCc1ccccc1NC(=O)c1cc2nc(C(F)F)cc(C(F)F)n2n1 1012131 AXLPWXZSXTXGST-UHFFFAOYSA-N 366.318 4.419 0 40 FIAB Cc1cc(-n2nnc(C(=O)O)c2-c2ccccc2)c2ccc(Cl)cc2n1 1857904 GJKZPRPNDKINJE-UHFFFAOYSA-N 364.792 4.143 0 40 FIAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NCCC1=CCCCC1 3342608 QZTUXXZULBXPDJ-UHFFFAOYSA-N 373.468 4.187 0 40 FIAB ClC1(Cl)C[C@H]1CSc1ncnc2c1cnn2-c1ccccc1 3368716 GZRCQTDZXYULKG-JTQLQIEISA-N 351.262 4.101 0 40 FIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OC[C@@H]2CCCO2)cc1 3415259 VSMCSKGVBGNRCZ-PZJWPPBQSA-N 351.446 4.052 0 40 FIAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 4476973 OIUSFWZLENCEKX-SFHVURJKSA-N 363.244 4.269 0 40 FIAB CCOc1ccc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCCO3)c(O)c1 5235513 YDVWFSPNVZZYGW-UHFFFAOYSA-N 366.417 4.318 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1 5269896 NIELZFXDYBZEKV-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)Nc1ccccc1 5415177 HKLOYJAORWJXER-ROUUACIJSA-N 371.525 4.406 0 40 FIAB biogenic,in-vitro CCOC(=O)c1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1C 6331523 YUCHNBBLIRKMAH-UHFFFAOYSA-N 371.380 4.433 0 40 FIAB O=C(CNCc1ccco1)Nc1cc(Cl)ccc1Oc1ccccc1 6588039 PJPFMTFYMXBZRT-UHFFFAOYSA-N 356.809 4.454 0 40 FIAB COc1cc(C)cc2oc(=O)c(CC(=O)Nc3cccc(Cl)c3)c(C)c12 6660528 MBAALSLIOCYZEW-UHFFFAOYSA-N 371.820 4.253 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)COc2ccc3ccccc3c2)c1 6886441 RULZRKRZSVSRBF-UHFFFAOYSA-N 363.413 4.017 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CCc2ccco2)cs1 7290266 SCLAMXZIMHLEMF-UHFFFAOYSA-N 370.430 4.097 0 40 FIAB COc1ccccc1CNC(=O)Cc1sc(C)nc1-c1ccc(F)cc1 7306196 HBALOMMKSSSLAY-UHFFFAOYSA-N 370.449 4.125 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(F)cc1 7601305 NTEQTNUFEHWEPI-UHFFFAOYSA-N 372.469 4.355 0 40 FIAB CCOc1ccc(-c2nnc(SCc3cn4cccc(C)c4n3)o2)cc1 8392612 CRMSTGQLOKENBH-UHFFFAOYSA-N 366.446 4.384 0 40 FIAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCSc3ccccc32)cc1 9366633 ZYSSQQWBZJHKIE-RDTXWAMCSA-N 355.459 4.010 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ncc(Cc3ccccc3)s2)c1C 9911314 DIRMGTIQGWGRNS-UHFFFAOYSA-N 353.447 4.134 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)c1 10628533 PQHVDTYOPSGTAP-SFHVURJKSA-N 369.490 4.014 0 40 FIAB O=C(Nc1ccccc1O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10633717 PCXPUMUMLLRBSO-HXUWFJFHSA-N 359.381 4.099 0 40 FIAB CSc1ccccc1C(=O)NCCc1ccc(Br)s1 10821443 ZUKMWAJEPLPXTE-UHFFFAOYSA-N 356.310 4.205 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 10972276 KDGZIFCNXCWLKA-UHFFFAOYSA-N 366.461 4.327 0 40 FIAB Cc1c(-c2cccs2)n[nH]c1C(=O)N[C@H](C)c1ccc2c(c1)CCC2 12147232 UAXSNJUYZMGANO-CYBMUJFWSA-N 351.475 4.426 0 40 FIAB CCC(C)(C)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12792113 RSXIYSRUKDUKKR-QGZVFWFLSA-N 373.884 4.389 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 12898981 LLYWFYJBUDMFRO-OAHLLOKOSA-N 353.896 4.164 0 40 FIAB Cc1ccc2nc(CN[C@H](C)c3ccc(Cl)cc3Cl)cc(=O)n2c1 13041423 UMAQQRPXDZQHIR-GFCCVEGCSA-N 362.260 4.161 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(C)cc2)c1 13668607 BKBHNHXQTHYZPN-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB Cc1ccc(-c2nnc(SCc3cc(=O)oc4cc(O)ccc34)o2)cc1 14095325 KJRSPVLCTKQSDB-UHFFFAOYSA-N 366.398 4.149 0 40 FIAB C[C@@H](NCC(=O)NCCc1cccs1)c1ccc(-c2ccccc2)cc1 16695370 ASVBGBYCSOXMBK-QGZVFWFLSA-N 364.514 4.425 0 40 FIAB COc1ccc(-c2cc(C(=O)NC3CCCC3)ccc2-n2ccnc2)cc1 19557965 INZQEGPCNCDNJJ-UHFFFAOYSA-N 361.445 4.220 0 40 FIAB COc1cccc(-c2cc(C(=O)Nc3ccc4nc(C)c(C)nc4c3)on2)c1 19666768 BRIZPJFDXWIJHR-UHFFFAOYSA-N 374.400 4.163 0 40 FIAB CSC1=NC(C)=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)o2)N1 20418752 DOMKHHWILYIEFY-KRWDZBQOSA-N 355.463 4.172 0 40 FIAB Cn1c(SCc2ccc(Br)cc2)nc2sccc2c1=O 20861746 DNZPYAPULWMWSC-UHFFFAOYSA-N 367.293 4.050 0 40 FIAB CC(=O)Nc1ccc(CNC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 21132927 YRLZRWSOCOQFOC-UHFFFAOYSA-N 374.868 4.082 0 40 FIAB C[C@@H](Sc1n[nH]c2nc3ccccc3n12)c1nnc(-c2cccs2)o1 23982604 CBAYWYROARFTRP-SECBINFHSA-N 368.447 4.175 0 40 FIAB CC(=O)Nc1ccc(C(=O)CSc2nccn2-c2cccc(C)c2)cc1 26046371 ZRYIVPPBXUGRBU-UHFFFAOYSA-N 365.458 4.114 0 40 FIAB Cc1cccc(C)c1OCC(=O)N(Cc1cccs1)c1ccccn1 27742465 IJLDPVYTRWXXIQ-UHFFFAOYSA-N 352.459 4.372 0 40 FIAB COc1ccc2cc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)c(C)nc2c1 29788862 VPPHUXYDUBLZIO-LLVKDONJSA-N 367.474 4.385 0 40 FIAB COc1ccc(C)cc1NC(=O)CNc1cccc(OC2CCCC2)c1 29943592 UWBYSBPPUBRFBB-UHFFFAOYSA-N 354.450 4.376 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30854768 VEUVNEQPYRXNGZ-LJQANCHMSA-N 372.896 4.155 0 40 FIAB Cc1ccc(-n2ncc(C(=O)Nn3cnc4ccccc43)c2C(C)C)cc1 32320122 CEIFLOHHVRWMOB-UHFFFAOYSA-N 359.433 4.038 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OC 36357614 YYAPRLFOWVRXQC-CYBMUJFWSA-N 373.478 4.274 0 40 FIAB Clc1cccc(Cl)c1Cc1nn2c(-c3cccnc3)nnc2s1 36358227 CGHSJQMWLBLJOB-UHFFFAOYSA-N 362.245 4.145 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3c2c(=O)nc2n3C(=O)c3ccccc3-2)C1 36611798 DVOVHNDMMSNYFK-LLVKDONJSA-N 364.470 4.278 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC(c2nc3ccccc3o2)CC1 36623795 VGQMPSZXJMOVLG-UHFFFAOYSA-N 357.413 4.396 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2)cc1 40039472 CGCFTKLLMNXMGL-INIZCTEOSA-N 351.402 4.289 0 40 FIAB Cc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c2ccc(F)cc2n1 40073962 HQOMLCXTYJBSDH-UHFFFAOYSA-N 363.392 4.283 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)sc2C1 40119806 AQXAEFSVQKVNDM-LLVKDONJSA-N 370.503 4.368 0 40 FIAB CC(=O)Nc1nc2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2s1 40139028 QVLHQEMCMPXRTO-VMPITWQZSA-N 355.394 4.046 0 40 FIAB Cc1cc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)c2cnn(C(C)C)c2n1 40146224 WNEONUFYSDFZQT-HNNXBMFYSA-N 363.465 4.081 0 40 FIAB Cc1ccccc1NC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983880 NOSNBXRESURAAA-UHFFFAOYSA-N 367.449 4.028 0 40 FIAB O=C(O)CCCn1c(/C=C/c2ccc(Cl)s2)nc2ccccc2c1=O 46102203 OVHPSNQAOYGCTQ-CSKARUKUSA-N 374.849 4.147 0 40 FIAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)CCc2ccco2)C1 48343381 WESOEMVVYREPPO-ROUUACIJSA-N 354.494 4.007 0 40 FIAB Cc1ccccc1OCCn1cc(-c2cnn(Cc3ccccc3)c2)cn1 49581403 RABPUVSYPCARRY-UHFFFAOYSA-N 358.445 4.182 0 40 FIAB O=C(Cc1coc(-c2ccccc2)n1)N[C@@H]1CCCOc2ccc(F)cc21 53368084 YJXAFZYELHNOOV-GOSISDBHSA-N 366.392 4.053 0 40 FIAB FC(F)(F)c1cccc(CN2CCC(Nc3cncc(Cl)n3)CC2)c1 53574888 IDKBQHPBRAKVIS-UHFFFAOYSA-N 370.806 4.225 0 40 FIAB C[C@H](c1ccccn1)N(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)C1CC1 57049383 HANUXOZYSOXKDV-CYBMUJFWSA-N 366.852 4.491 0 40 FIAB CC(C)[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccccc1 58028947 PAVMDMHECKXMMD-NRFANRHFSA-N 365.477 4.328 0 40 FIAB COc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 64471801 LDVKVXAGPZJDNT-UHFFFAOYSA-N 365.408 4.362 0 40 FIAB Cc1cc(C(C)(C)C)cc(C)c1CSCCN1C(=O)NC(C)(C)C1=O 65603690 QPAAHPCGVNMDRQ-UHFFFAOYSA-N 362.539 4.165 0 40 FIAB Cc1ccc2[nH]c3c(SCC(=O)N4CCc5ccccc54)ncnc3c2c1 72331975 PIIVYQDRIGJYRD-UHFFFAOYSA-N 374.469 4.101 0 40 FIAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349136 BBTLAZQKQSVWES-GOSISDBHSA-N 361.420 4.303 0 40 FIAB CC(C)Cn1ccc2c(NC(=O)C[C@H]3NC(=O)c4ccccc43)cccc21 79491257 XCDSSQAHHLEQSG-LJQANCHMSA-N 361.445 4.111 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H]1NC(=O)c2ccccc2N1C 84016814 WXMKLAMPKWZOOB-IBGZPJMESA-N 366.852 4.021 0 40 FIAB CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1cccc(Br)c1 97105888 IMVXMCPLMKKJIU-QGZVFWFLSA-N 361.214 4.286 0 40 FIAB C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 100146983 ABSVVNAXUBJWAN-LRDDRELGSA-N 363.335 4.268 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 100423187 UPPFCJZRJAQWLZ-SFTDATJTSA-N 365.546 4.477 0 40 FIAB C[C@@](O)(CNC(=O)CSCc1ccccc1)c1cc2ccccc2s1 217503174 ALPCLLDGGIEAOW-HXUWFJFHSA-N 371.527 4.158 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccccc1C)CC(C)(C)O2 219289628 JMZBSVWCGRKMCF-MAUKXSAKSA-N 369.461 4.190 0 40 FIAB CC[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(OC)c(OC)c1 223101272 XTWSEVSJOHUBAI-MRXNPFEDSA-N 365.832 4.306 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 224650440 FEAYFWQXMHWINV-LJQANCHMSA-N 366.505 4.235 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224670524 FNKUOOHRWCDJNC-IBGZPJMESA-N 366.505 4.065 0 40 FIAB COCc1cccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 225187934 NCOKEUOEQIKTBP-UHFFFAOYSA-N 363.479 4.074 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1 225267852 YCEDYSOBEQUUQP-OAHLLOKOSA-N 374.506 4.236 0 40 FIAB O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1cccs1 408691525 BWXQNUFMONJTLK-UHFFFAOYSA-N 367.249 4.493 0 40 FIAB COC(=O)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 408750713 QTSCENFFPJRPGG-UHFFFAOYSA-N 372.471 4.122 0 40 FIAB O=C([C@@H]1COc2ccccc2C1)N1Cc2ccccc2[C@H](c2ccccc2)C1 518962526 BQIYPZUKSLSHPL-GMAHTHKFSA-N 369.464 4.412 0 40 FIAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(Cl)cc1F 655912 KVWQAFLKBHKPHW-UHFFFAOYSA-N 361.726 4.211 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(F)cc1 844017 GAAYBTIIYDZFIZ-UHFFFAOYSA-N 350.773 4.063 0 40 FIAB Cc1ccc(NC(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1 1371021 WWAQBTYBCHLYIC-UHFFFAOYSA-N 352.413 4.353 0 40 FIAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccnc1Cl 1408545 LFXZOHGNTBWKGX-UHFFFAOYSA-N 364.792 4.499 0 40 FIAB CC[C@]1(Br)C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1 2294243 NNPNNSVEUUORNH-IAQYHMDHSA-N 359.647 4.077 0 40 FIAB COc1ccc(-c2csc(-c3cc4ccc(O)cc4oc3=O)n2)cc1 2345253 JKMMPUXYPPUPRJ-UHFFFAOYSA-N 351.383 4.298 0 40 FIAB biogenic CCc1cc2c(SCC(=O)N[C@@H](C)c3ccccc3)ncnc2s1 2622732 LDQSSYRNYWNNJF-LBPRGKRZSA-N 357.504 4.223 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 2646999 GPPJBXLWUXNHSF-GOSISDBHSA-N 373.452 4.312 0 40 FIAB CCCOc1c(Cl)cc(/C=C2/N=C(c3ccco3)OC2=O)cc1OC 2736835 OYLZCSWDXQVRQM-UKTHLTGXSA-N 361.781 4.075 0 40 FIAB COc1ccc(COC(=O)Nc2cc(F)c(F)cc2Cl)c(OC)c1 3127113 CTUWXPYONDFZLG-UHFFFAOYSA-N 357.740 4.384 0 40 FIAB COc1ccc(C(=O)Nc2c(Cl)cccc2Cl)c(OC)c1OC 3229513 GIIPDJLSYMTCNF-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB CCc1ccc(NC(=S)NNC(=S)Nc2cc(C)ccc2C)cc1 3256947 OCGACLAOOWSSSD-UHFFFAOYSA-N 358.536 4.054 0 40 FIAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(OCc2ccccc2)cc1 3415723 OGQIAJLJVAVIMV-ZDUSSCGKSA-N 371.487 4.236 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2csc3c2CCCC3)cc1OC 3455901 GACVZAKSCFETLI-UHFFFAOYSA-N 359.491 4.306 0 40 FIAB CCSc1nnc(CCn2c(C)nc3ccccc32)n1-c1ccccc1 3851077 UOMJIUYBCFNQCK-UHFFFAOYSA-N 363.490 4.280 0 40 FIAB biogenic CCN(c1cccc(C)c1)c1ncnc2c1cnn2-c1ccc(OC)cc1 3912275 FBVMAIWUQFGHEZ-UHFFFAOYSA-N 359.433 4.291 0 40 FIAB O=C(O)c1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1 4298595 CLMUJDJFMCAVDV-XNTDXEJSSA-N 368.392 4.254 0 40 FIAB COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3)C[C@H]21 4878393 FQVNKYMUYMAJBB-DENIHFKCSA-N 357.413 4.333 0 40 FIAB Cc1ccc(Cn2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc1 4940398 PZMLZXXPXGVQLA-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc(F)c(F)c3)c(Cl)cc12 5040118 JBYWLPUNVNLXOR-UHFFFAOYSA-N 364.731 4.295 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4C)nnc32)cc1C 5163335 OJAPBWPRUAQJTN-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1ccc(Cl)cc1 5863720 VJFFNFMTZFBJTC-UHFFFAOYSA-N 360.866 4.196 0 40 FIAB Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6628170 IJKDUXYECGUFPD-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB COc1cc2c(c(OC)c1)[C@H](c1ccccc1OCC(C)C)CC(=O)N2 6820164 BDDYAARPWHYPIX-INIZCTEOSA-N 355.434 4.213 0 40 FIAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nccn2C)c1 6975490 YBJYKLMLCCEZOD-UHFFFAOYSA-N 351.475 4.054 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)c2ccccc2Br)cc1 7696842 PVCAABBPDKFVEE-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)c1 8270851 ZFBSZEKEYUPNPM-UHFFFAOYSA-N 361.445 4.263 0 40 FIAB CCc1nnc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)s1 8325122 MXGAHTQLEZZJIW-UHFFFAOYSA-N 364.883 4.059 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1nonc1-c1ccc(Cl)cc1 8915677 ZYDGOWBVAYLCJW-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccs1 9221452 LMALBVUWKBVNIE-LJQANCHMSA-N 366.442 4.190 0 40 FIAB C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCCCC1 9337418 NQEJNVXSXZYPJL-MRXNPFEDSA-N 369.436 4.227 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 10684116 PVPMPZIHAHSORM-CQSZACIVSA-N 374.868 4.194 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@H]1C=CCC1 12484473 FIRFGRQTOKWXAL-LBPRGKRZSA-N 355.265 4.137 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 12526416 NKYLJJJLLFQFOE-UHFFFAOYSA-N 372.490 4.133 0 40 FIAB CCCCn1c(S[C@H](C)C(=O)NCc2cccs2)nc(C)c1C 12760355 QVCJQHHQQIXWEH-CQSZACIVSA-N 351.541 4.159 0 40 FIAB C[C@H](SCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1)C(=O)O 12779969 VVTLBXCDYVXDMO-XJKSGUPXSA-N 373.499 4.073 0 40 FIAB Cc1ccc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)s1 13331834 LHNIVZCIOMSSHW-UHFFFAOYSA-N 355.290 4.326 0 40 FIAB OCCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1Cl 13656239 LCJNDODALHZRJH-UHFFFAOYSA-N 355.290 4.185 0 40 FIAB Cc1ccccc1/C=C/c1nc(S[C@H](C)C(=O)N2CCC(C)CC2)n[nH]1 14159036 NKEYYYFUQFKTGR-ROJDOSBLSA-N 370.522 4.023 0 40 FIAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)c(F)c1 14222043 BVUSAYNFZHOUFH-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)CCC)cc2)c1C 14405309 UWEJJSUXSAYUNM-UHFFFAOYSA-N 356.470 4.291 0 40 FIAB CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@@H]1c1ccc(OC)cc1 14608097 ZMDSNISFDKENPG-IBGZPJMESA-N 364.449 4.324 0 40 FIAB CCCOc1ccc(NC(=O)COc2ccccc2OC)c2cccnc12 15840923 XCEOIHJQQWVWGO-UHFFFAOYSA-N 366.417 4.050 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)[nH]n2)cc1 19666486 JIBLJFNXFWSRJI-UHFFFAOYSA-N 361.430 4.156 0 40 FIAB CN1CCN([C@@H]2Cc3ccc(Cl)cc3Sc3ccc(F)cc32)CC1 19802234 GPRZDPJGSSBXME-QGZVFWFLSA-N 362.901 4.475 0 40 FIAB N=c1n(CCOc2ccccc2)c2ccccc2n1CCc1ccccc1 19901288 GFSADOQUEFJNOZ-UHFFFAOYSA-N 357.457 4.244 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1C 20111717 YOFLHFNXGRJODE-LJQANCHMSA-N 355.478 4.300 0 40 FIAB CC(C)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20455354 DAFZUJVXMRECLR-UHFFFAOYSA-N 366.870 4.087 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1OC 20490175 WCPMGJXUDXDGRE-CQSZACIVSA-N 365.429 4.357 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3ccc(Cl)cc3)n2)c1 21168604 RYCLODNTDLUYBZ-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB CCOc1ccc(C(=O)NCCSCc2ccccc2)cc1OCC 21930850 AXZQREQQNUKFBE-UHFFFAOYSA-N 359.491 4.147 0 40 FIAB COCc1c(C(=O)N2CCCc3cc(OC)ccc32)oc2ccccc12 21975721 PPQFJECDIXOCIR-UHFFFAOYSA-N 351.402 4.181 0 40 FIAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1C 22906982 HUNQOJAZKOJNGS-JOCHJYFZSA-N 374.484 4.426 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)NCc1ccc(Cl)cc1Cl 24613215 FAYITNQDBQPKDU-UHFFFAOYSA-N 366.244 4.014 0 40 FIAB CCOc1c(Cl)cc(/C=C/C(=O)N(C)Cc2ccccc2)cc1OC 24832829 MBZJYYIAYRNCLQ-ZHACJKMWSA-N 359.853 4.419 0 40 FIAB Cc1cc(C(=O)Nc2nnc(CCc3ccccc3)s2)c2ccccc2n1 31810374 ZIPAFJMBYFXMFC-UHFFFAOYSA-N 374.469 4.432 0 40 FIAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2ccc(F)cc2s1 32739341 VTBYUTGTMAYHOQ-UHFFFAOYSA-N 363.435 4.005 0 40 FIAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCc2sccc2C1 32753490 DVEKRKQKLKOAOI-UHFFFAOYSA-N 365.429 4.317 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1nc(-c2ccco2)no1 32753975 BUWIYWRCPBJURU-ZDUSSCGKSA-N 365.389 4.228 0 40 FIAB S=C(NCc1ccco1)N(CCc1nc2ccccc2[nH]1)C1CCCC1 35310740 GASBXOBSUQLLQY-UHFFFAOYSA-N 368.506 4.018 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1noc2c1CCCCC2 36356876 QXUSHRFQTLXUME-UHFFFAOYSA-N 353.191 4.097 0 40 FIAB O=C(CCCc1cccs1)NCc1ccc(N2CCCCCC2)nc1 40122064 CCEYSORKUKJSIJ-UHFFFAOYSA-N 357.523 4.163 0 40 FIAB C[C@H](Cc1ccsc1)NC(=O)N(C)Cc1ccc(Br)s1 48858998 DELWAEAAJMLDQD-SNVBAGLBSA-N 373.341 4.345 0 40 FIAB Cc1ccc(-c2cc(C(=O)NC3CCSCC3)c3ccccc3n2)o1 58420583 IQKVCVJZNPWYGB-UHFFFAOYSA-N 352.459 4.429 0 40 FIAB COc1cccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)c1 58703427 IZEBQDHZFHVLSC-UHFFFAOYSA-N 361.441 4.100 0 40 FIAB CCOC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2F)c1 71760633 LFODKNTZXHQKQE-UHFFFAOYSA-N 352.818 4.465 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 72230109 LQIWPVIFRHFGJC-UHFFFAOYSA-N 371.912 4.182 0 40 FIAB Cc1nc(C2(NC(=O)c3csc4c3CC[C@@H](C)C4)CCCCC2)no1 72242282 AJJAJPCWIXUUDE-GFCCVEGCSA-N 359.495 4.154 0 40 FIAB Cc1cn2nc(N(C)[C@H](c3ccccc3)c3ccc(F)cc3)sc2n1 72307679 DKEIXWWOWPLTRF-QGZVFWFLSA-N 352.438 4.464 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)Nc3ccnn3C3CCCCC3)cc2NC1=O 72967783 BIYUBUJBYVOSQW-LBPRGKRZSA-N 370.478 4.073 0 40 FIAB CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1(C)C 74383757 ZDUZOGXXGBEYNL-XXHMAFKTSA-N 371.481 4.248 0 40 FIAB Cc1cc(NC(=O)Cc2csc(-n3c(C)ccc3C)n2)ccc1N(C)C 78871265 QCVKLWXKUMMUQJ-UHFFFAOYSA-N 368.506 4.106 0 40 FIAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(Cn2cccn2)c1 84062062 IANLQWGFAVAICG-UHFFFAOYSA-N 354.479 4.246 0 40 FIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)Cc1ccc(Cl)nc1C 89589153 OMOCOTBLEVEJLE-UHFFFAOYSA-N 368.824 4.115 0 40 FIAB C=CC(=O)Nc1cc(NC(=O)c2ccc3ccccc3c2O)ccc1F 92424722 QMJWEABMGAGGRY-UHFFFAOYSA-N 350.349 4.061 0 40 FIAB COc1ccc(C(=O)N(C[C@H](O)c2ccccc2)CC(C)(C)C)c(F)c1 95451254 NLTMPIUXKZVFFN-IBGZPJMESA-N 359.441 4.056 0 40 FIAB CC(C)c1ccc(NC(=O)CCCc2nc(-c3cccnc3)no2)cc1 95481910 WYNMIZWCNATCJT-UHFFFAOYSA-N 350.422 4.216 0 40 FIAB CN(C(=O)C1(C)CCOCC1)c1nc2c(s1)C[C@H](c1ccccc1)CC2 95958550 CYXXUQVURNRKDA-MRXNPFEDSA-N 370.518 4.195 0 40 FIAB FC(F)(F)COc1ccc(CN[C@H]2CSCCc3ccccc32)cn1 95967300 SLMQHIHLZCNEHV-INIZCTEOSA-N 368.424 4.143 0 40 FIAB COc1ncccc1NC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96062678 SPHWSPTVWXWJJN-UHFFFAOYSA-N 362.433 4.370 0 40 FIAB COCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2ccccc21 100872476 MFPFRDZOPYUHSG-XDOYNYLZSA-N 368.502 4.388 0 40 FIAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1C 101275315 BVPCXNYVUUNBEB-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1C 101277102 NIVRWDZPVCJPAO-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB Cc1nc(S[C@@H]2CCCCNC2=O)n([C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 105885693 QIMUCSTUKMZDOE-RSJGLCBASA-N 361.555 4.258 0 40 FIAB Cc1cc(F)cc2c1N(C(=O)c1csc(-c3ccccn3)n1)CCC2 108975718 TYRLVBRVOZSQDA-UHFFFAOYSA-N 353.422 4.246 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccccc2C)cc1 219313009 LGGHJARJPHTTEX-FQEVSTJZSA-N 355.478 4.300 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)s1 223843460 DTFVMCNBOKDTNU-MSOLQXFVSA-N 367.499 4.334 0 40 FIAB CCOc1cccc(NC(=S)NCCSCc2ccccc2F)c1 225413290 WQDHJUHLCKDBIX-UHFFFAOYSA-N 364.511 4.444 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN(c2ccc(-n3cccc3)cc2)CC1 226246150 GSPFXIZIECIENI-UHFFFAOYSA-N 371.440 4.186 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1Cl 226322628 SPPTXWSZLLRVDM-AATRIKPKSA-N 366.200 4.352 0 40 FIAB O=C(N[C@@H](Cn1nccn1)c1ccccc1)c1ccc(-c2ccsc2)cc1 245015322 LWEMCXYMUSREJA-FQEVSTJZSA-N 374.469 4.178 0 40 FIAB O=C(N1CCCC1)C1(Cc2ccccc2-c2cccs2)CCOCC1 257245815 IRELDDIREZORQJ-UHFFFAOYSA-N 355.503 4.377 0 40 FIAB CC(C)(C)OC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@@H]2Cc1ccccc1 257312910 UQDROTUVGPVJDD-GOYZHWMFSA-N 356.510 4.138 0 40 FIAB COc1ccc(Oc2ccc(N=C/C(Cl)=C(\Cl)C(=O)O)cn2)cc1 257354292 WXNQMVWOXVTWIR-BUTRGXFHSA-N 367.188 4.359 0 40 FIAB O=C1CC[C@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n2cccc21 333338982 SIYOYBMZHNSRKN-AZUAARDMSA-N 361.445 4.241 0 40 FIAB C/C(=C\c1ccc(N[N+](=O)c2ccc(/C=C(\C)C(=O)O)cc2)cc1)C(=O)O 367612594 XTKNRZYIZHZXON-PHEQNACWSA-O 367.381 4.100 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 408702125 CSCGJKOXWFEUGT-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 408708427 QBNZVMUNLFXTSD-HXUWFJFHSA-N 364.489 4.042 0 40 FIAB CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 504578297 PLBJNRPWYUGGEM-VAMGGRTRSA-N 353.418 4.384 0 40 FIAB O=C(O)[C@H](c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 565103057 LVRHEJOLKSIOKH-SFHVURJKSA-N 370.449 4.441 0 40 FIAB COc1ccc(CCNC(=O)NCc2ccc(-c3cccs3)o2)cc1 575608179 JCNOXIXUKWAQLP-UHFFFAOYSA-N 356.447 4.059 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@@H](n2cnc3ccccc32)C1 575617016 MGAATPYSZIPASY-MRXNPFEDSA-N 373.378 4.071 0 40 FIAB CCc1ccc([C@H]2COCCN2C(=O)c2cc3cc(Cl)ccc3[nH]2)o1 605566690 RFMZDGOCPIOXQW-QGZVFWFLSA-N 358.825 4.190 0 40 FIAB CC1(C)C[C@@]1(NC(=O)NC1CCC(OC(F)F)CC1)c1ccccc1 665057108 JNMMFNSQLPUPNF-JFIBYHEFSA-N 352.425 4.161 0 40 FIAB C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)C[C@@]1(C)CO 666890710 ZGMOGTZIYSSABP-SJCJKPOMSA-N 358.404 4.009 0 40 FIAB O=C(Nc1ccccc1)c1cc(Br)ccc1Br 682409 KKODIJLKIMXGIX-UHFFFAOYSA-N 355.029 4.464 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN1C(=O)c2cccc3cccc1c23 802914 AORZBYPPCZHXNN-UHFFFAOYSA-N 366.804 4.101 0 40 FIAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(N)=O)C1 997809 DSDHDPACYCJGPZ-NSHDSACASA-N 350.528 4.373 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)N3CCC(c4ccccc4)CC3)c2O1 1425429 QKGOTOJPUZHVGD-UHFFFAOYSA-N 365.473 4.185 0 40 FIAB Cc1nc2oc3c(N4CCCC[C@@H]4C)ncnc3c2c2c1COC(C)(C)C2 2198375 PSXVCXQDMCHRTP-LBPRGKRZSA-N 366.465 4.310 0 40 FIAB Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccnc1 2394329 OCXRVDRCAZWOQH-UHFFFAOYSA-N 351.262 4.476 0 40 FIAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 3015365 KIQGAHCODFLQIZ-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB biogenic O=C(CCC(=O)c1ccc(F)cc1)Nc1cccc(Br)c1 3236720 UOYYSQDPORYIEN-UHFFFAOYSA-N 350.187 4.190 0 40 FIAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3cccnc3)[C@H]1[C@H]2C 3999451 BPMYDYKKXHFZDO-ZZDIOYDHSA-N 358.482 4.122 0 40 FIAB biogenic C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CN1CCCCC1 4900323 YNUQPGKCYNHIBB-NLPWIYRPSA-N 369.549 4.465 0 40 FIAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)n1 4966107 NKFGGPGAQGEFBA-UHFFFAOYSA-N 366.509 4.246 0 40 FIAB CSc1ccccc1C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 5222388 IQVXIEPBZYCKJB-UHFFFAOYSA-N 357.460 4.229 0 40 FIAB Cc1cccc(N2C(=O)S/C(=C/c3nc4ccccc4n3C)C2=O)c1C 5236067 UPTNUHMTFXOGQE-GZTJUZNOSA-N 363.442 4.431 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 5559047 JHAXXRZWQGZSRC-UHFFFAOYSA-N 366.442 4.339 0 40 FIAB COc1cc(C(=O)N2CCc3ccccc3C2)ccc1OCc1ccccc1 7736780 NUHNOXMEJRHUIN-UHFFFAOYSA-N 373.452 4.473 0 40 FIAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC1CCCC1 8393659 LJWNQGFTTPZROV-JTQLQIEISA-N 369.412 4.188 0 40 FIAB Cc1cc(C(=O)CCC(=O)NCCCn2ccc3ccccc32)c(C)s1 8429650 QNLWLZPZFNYRKR-UHFFFAOYSA-N 368.502 4.489 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc1 8477648 IBJXLUSDHAKJHK-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CCOC(=O)c1ccc2nc(C)c(CN(C)Cc3ccccc3)c(O)c2c1 8571804 TWPAUDUGDSLCJF-UHFFFAOYSA-N 364.445 4.058 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCCC3)ccc21 8959038 JIZZZRHOOCDIIL-UHFFFAOYSA-N 358.482 4.223 0 40 FIAB COC[C@H](C)Nc1nc(C)nc2scc(-c3ccc(OC)c(OC)c3)c12 9450805 LUMAALNGZQBTIX-NSHDSACASA-N 373.478 4.131 0 40 FIAB Cc1ccc2cc(CN(C)C(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1 9462619 VXHMNVMXJHMMLQ-UHFFFAOYSA-N 362.473 4.406 0 40 FIAB CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 10629168 PHPRZQMKHOXYKE-LJQANCHMSA-N 369.490 4.041 0 40 FIAB Cc1nccc(-c2ccc(-c3noc(CN4CCCC(C)(C)C4)n3)cc2)n1 12186114 HDBSAGGQHDYQKG-UHFFFAOYSA-N 363.465 4.124 0 40 FIAB O=C(CCSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1 12543222 OAMNUXPEPIMTNR-UHFFFAOYSA-N 364.474 4.266 0 40 FIAB CC[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccccc1 12567815 IMHJJKOEUFCRJE-HNNXBMFYSA-N 356.426 4.120 0 40 FIAB O=C([C@@H]1Cc2ccccc2O1)N1Cc2ccccc2[C@H](c2ccccc2)C1 13006878 JCQCZEAYQGGPRS-GMAHTHKFSA-N 355.437 4.164 0 40 FIAB CC(C)c1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2F)cc1 13688356 HVYJSWDPIZGVME-ZDUSSCGKSA-N 369.396 4.405 0 40 FIAB Cc1cc(-c2ccc(Cl)cc2)nc(SCc2cn3cccnc3n2)n1 16283966 DBFLFOYPDKBVKZ-UHFFFAOYSA-N 367.865 4.440 0 40 FIAB Cc1nnc2c3ccccc3nc(N3CCC(Cc4ccccc4)CC3)n12 16363456 NKXXOGGXXVGTRU-UHFFFAOYSA-N 357.461 4.045 0 40 FIAB COc1cc(NC(=S)Nc2cccc(C)c2Cl)cc(OC)c1OC 17075373 UGAAJHZSOVQYCO-UHFFFAOYSA-N 366.870 4.483 0 40 FIAB CC[C@@H](C)n1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17075647 WRCSZYKIMDGFAJ-SNVBAGLBSA-N 368.510 4.241 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCOCC2)cc1 18077812 JRRGRLSXZVAIKW-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB Cc1c(-c2cncn2CCCN2CCCCC2)c(-c2ccccc2)nn1C 19719402 RWZCUZVUFJBCDA-UHFFFAOYSA-N 363.509 4.135 0 40 FIAB COc1ccc(-c2nnc(CSc3nc4ccccc4o3)o2)cc1OC 19928708 QXNNARMYDPTNHM-UHFFFAOYSA-N 369.402 4.187 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(C)c2)C4)cc1 20796050 NZGQGTXQNUUPED-SFHVURJKSA-N 368.440 4.321 0 40 FIAB Cc1ccc(CN(C)C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)o1 20922603 SORMHWACNCREPJ-UHFFFAOYSA-N 357.841 4.067 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1OCC 22526386 YLKDPWDAZUAJQH-QGZVFWFLSA-N 371.477 4.185 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccncc1 23055205 ISLKYAZNTBDQAK-OAHLLOKOSA-N 351.233 4.131 0 40 FIAB COc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1Cl 27580523 AXMHTSIKEPRRKY-UHFFFAOYSA-N 357.797 4.268 0 40 FIAB CC[C@H](Sc1ccccc1Br)C(=O)Nc1cc(C)on1 31626636 XGUAKCAJBFSDMQ-NSHDSACASA-N 355.257 4.255 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@@H]1C(=O)Nc2ccc(F)cc21 32094642 LUDPDZGEXHFPLN-OAHLLOKOSA-N 370.405 4.061 0 40 FIAB Cc1cc(NC(=O)c2cc(F)c(F)cc2Cl)n(Cc2ccccc2)n1 32647566 NZBMJZQSYPGXAA-UHFFFAOYSA-N 361.779 4.424 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCOc2cccc(Cl)c2)cc1F 32714392 WXBRJTOHUIILNN-GFCCVEGCSA-N 351.805 4.134 0 40 FIAB CC(C)c1cccc(OCC(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 32831038 NJUPTHHGOKQTTL-UHFFFAOYSA-N 352.434 4.176 0 40 FIAB O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccnc1Cl 33195120 NHWGADQIJRWHLJ-YUMQZZPRSA-N 374.712 4.374 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@H](c2cccc(O)c2)C1 36354860 PSAJPVBAJUAZOQ-ZDUSSCGKSA-N 357.772 4.494 0 40 FIAB COc1cc(NC(=O)c2cc3ccccc3c(OC)n2)c(OC)cc1Cl 48302209 VVIGEANGRHIZPX-UHFFFAOYSA-N 372.808 4.166 0 40 FIAB COc1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cc(OC)c1 58310454 ORXSRSDBPXPQTO-SFHVURJKSA-N 354.450 4.333 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cnccc1Oc1ccccc1 58377842 RNVIXYFZYLEWGF-CMDGGOBGSA-N 368.824 4.221 0 40 FIAB COC(=O)CCN(Cc1cccc(F)c1F)Cc1cccc2cccnc12 72305043 FBKGIYCQGGTOEZ-UHFFFAOYSA-N 370.399 4.078 0 40 FIAB CCOc1cc(C(=O)N[C@@H]2CCc3ccccc32)cc(OCC)c1OCC 72331508 DPFSUQDEIOEGDX-GOSISDBHSA-N 369.461 4.300 0 40 FIAB FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(Cc4cccnc4)C3)n2)c1 72369959 ATNIBGSMFCLVLI-OAHLLOKOSA-N 374.366 4.140 0 40 FIAB COc1ccc2cc(COC(=O)CSCc3cccnc3)ccc2c1 75556100 ZDEZWYHIYGWOPL-UHFFFAOYSA-N 353.443 4.220 0 40 FIAB CC(C)Cn1ccc2cc(NC(=O)c3ncoc3[C@H]3CCCO3)ccc21 78730997 QNIZFCYFKHKPCO-QGZVFWFLSA-N 353.422 4.389 0 40 FIAB CC(C)COc1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)cc1 79056463 ZXJIBWUHQSCSQT-PMACEKPBSA-N 357.494 4.014 0 40 FIAB O=C(OC1CCN(c2ccc(Cl)cn2)CC1)c1sccc1C1CC1 84428956 KDONQCWHRQMSBR-UHFFFAOYSA-N 362.882 4.500 0 40 FIAB Cc1nc(-c2cccs2)sc1CNC(=O)COc1ccc(F)cc1 85470949 RPOABIPTWGJMHF-UHFFFAOYSA-N 362.451 4.014 0 40 FIAB C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)CCSc1ccccc1F 95423961 HKQPIIVPJWBILD-CXAGYDPISA-N 365.445 4.075 0 40 FIAB Cc1ccc(C(=O)N2CC[C@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)o1 96110604 BGERNDORNXQVDU-PMACEKPBSA-N 353.462 4.088 0 40 FIAB Cc1cc(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc(C(C)C)n1 105129289 JFQZZRBLBNHNQS-QEOTZNIISA-N 361.555 4.330 0 40 FIAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)O)cc34)cs2)cc1 106045845 YZTMIXGRXLMAHM-UHFFFAOYSA-N 352.371 4.325 0 40 FIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(F)cc1F 219459380 ZQMYZEOUSAAGFB-UHFFFAOYSA-N 366.367 4.497 0 40 FIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Br)S1 222559927 LLQQAKWFFISTAV-XZJROXQQSA-N 374.307 4.433 0 40 FIAB CCCCCNC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224258552 OQSAWAJPROYIOC-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 224450010 ZPTNOSVPGDHLOE-FQEVSTJZSA-N 359.441 4.131 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 224771596 IZXSHLCXEWAAGU-HNNXBMFYSA-N 355.434 4.311 0 40 FIAB COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(C)C 225084616 JTLZSLCYUHMSBV-HNNXBMFYSA-N 359.491 4.267 0 40 FIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225122428 BFXIXTRUADTEBA-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)N[C@H](C)CC 225344860 CEFIYKZRXRJNFP-OLZOCXBDSA-N 373.324 4.425 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c(C)c1 225473566 AYCJKWAIPDTLLE-CYBMUJFWSA-N 360.454 4.358 0 40 FIAB Cc1cc(F)ccc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 225596292 NCDBLTMUNOCISP-UHFFFAOYSA-N 355.434 4.202 0 40 FIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225869655 JTKPDZUNBLVEGT-SFHVURJKSA-N 351.490 4.390 0 40 FIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)cc3N)o2)C1 226304937 GMDTXLDOVAYLHP-LLVKDONJSA-N 363.255 4.163 0 40 FIAB CC(C)(C)CCN1C[C@H]2[C@@H](CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1 252585174 GSJIGYLGKSBYBC-BJWYYQGGSA-N 369.336 4.337 0 40 FIAB in-vitro O=C(NCC1CCN(C2CCSCC2)CC1)c1cc2ccccc2s1 253394028 ZWRZUQHEPODXLY-UHFFFAOYSA-N 374.575 4.239 0 40 FIAB Cc1csc(-c2ccc(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)n1 257221056 DNHYDSVUZFUQGL-OAHLLOKOSA-N 359.495 4.313 0 40 FIAB O=C(N[C@@H]1C[C@H](c2ccc(F)c(F)c2)O[C@@H]2CCC[C@@H]12)c1ccccc1 257263114 LOMFDDCSRCMAGQ-YGWPLHOASA-N 357.400 4.394 0 40 FIAB C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)CCc1cncc(F)c1 540434326 XUHZAKIPBNRWOK-HNNXBMFYSA-N 358.457 4.035 0 40 FIAB CO[C@@H](CNC(=O)CSCc1ccccc1)c1cc2ccccc2o1 575415698 SGWUWLDPMRMVNQ-IBGZPJMESA-N 355.459 4.170 0 40 FIAB C[C@@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 1565519082 NQQODBDWMJAXEP-RDTXWAMCSA-N 364.474 4.283 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 1615122808 RUQRSHJMWFSTGN-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB Cc1ccc(CC2CN(Cc3ccc(C(F)(F)F)nc3N(C)C)C2)cc1 1660294506 RTTRHFOXOMVWBS-UHFFFAOYSA-N 363.427 4.149 0 40 FIAB Cc1cc(NC(=O)CCn2ccc3ccccc32)ccc1N1CCCC1=O 11486890 UDKPZFKSHNXFNM-UHFFFAOYSA-N 361.445 4.105 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)Cc2coc(-c3ccc(C)cc3C)n2)cc1 29360713 IFBGSEOEXOQLLD-UHFFFAOYSA-N 370.474 4.088 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)N1[C@@H](C)CCC[C@@H]1C)OCO3 930003 CNZRPSKZVOKQJC-KBPBESRZSA-N 372.490 4.154 0 40 FIAB COc1cccc2sc(NC(=O)c3ccccc3Br)nc12 1513754 ZYJUIXROHXTVSH-UHFFFAOYSA-N 363.236 4.320 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc(C)c1Cl 1787281 WJINWPVRGYTXGG-ZDUSSCGKSA-N 361.825 4.134 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1F 2628532 BRROVNYBGGGHRL-HNNXBMFYSA-N 352.203 4.384 0 40 FIAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(F)cc3)c(=O)oc2c1 3108440 PGDNKLBOJLJLNI-UHFFFAOYSA-N 354.381 4.031 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2cccc(C)c2C)CC1=O 7929336 IRXASBHFEPJUCN-IBGZPJMESA-N 365.473 4.387 0 40 FIAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(F)cc3)nc12 9140747 UTYBJNLVFVLARZ-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 644985 RRUBTBFQYLNXHO-INIZCTEOSA-N 369.273 4.104 0 40 FIAB CCc1ccc(OCC(=O)NCc2ccc(C)cc2)c(Br)c1 639371 MWRJVPVKIDWVHB-UHFFFAOYSA-N 362.267 4.015 0 40 FIAB COc1ccc(-c2c(C)nn3c(=O)c(Cc4ccccc4C)c(C)[nH]c23)cc1 9935395 JXVCXUDLGYQFAR-UHFFFAOYSA-N 373.456 4.214 0 40 FIAB CCN(c1cccc2ccccc12)S(=O)(=O)c1cc(OC)ccc1OC 33623640 INVLILZYTFSDTG-UHFFFAOYSA-N 371.458 4.072 0 40 FIAB CC(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)n(C)c1 53674714 SIAYUCPOYDSTRW-JOCHJYFZSA-N 372.424 4.493 0 40 FIAB O=C(C1CC1)N1[C@H]2CC[C@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 100222760 VDJYBSUSLRIGFD-WMZOPIPTSA-N 360.461 4.096 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 23116572 KCURCZMJHYHQKV-HNNXBMFYSA-N 361.445 4.249 0 40 FIAB COc1cc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc(OC)c1 986496 UXHIZSKGEVBTSP-UHFFFAOYSA-N 370.518 4.355 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(Cl)ccc1O 12572053 JYUUWIGJZNVFNX-IFIJOSMWSA-N 368.857 4.206 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3C)n2)c1 21168635 BLGXFPHZSWKQKW-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)[C@H]1C[C@H]2CC[C@H]1C2 105578882 FFHZCMYOVZVFAH-UOVPBQLFSA-N 353.466 4.000 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 20459954 GKCJTOCGEZURKE-LJQANCHMSA-N 355.434 4.276 0 40 FIAB CC(=O)Nc1c(C)ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)c1C 55156209 BNFLQPHEJZAFRQ-NRFANRHFSA-N 365.477 4.037 0 40 FIAB O=C(Cc1csc(-c2ccccn2)n1)N1CCCc2cc(F)cc(F)c21 43267512 WZDGOKJDNKNKGF-UHFFFAOYSA-N 371.412 4.005 0 40 FIAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1 3273697 OAPCOTWRWBQLLJ-ZDUSSCGKSA-N 368.820 4.381 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@H](C)C2 1465669 XEBZISJNRUTMLN-IOCXFXADSA-N 361.488 4.373 0 40 FIAB CCOc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1OCC 12632836 SNNUDROFGMFEPF-UHFFFAOYSA-N 371.462 4.091 0 40 FIAB O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(-c2cn3ccccc3n2)cc1 10322552 NMFBYXLLMJWTSM-UHFFFAOYSA-N 369.424 4.117 0 40 FIAB O=C(Nc1cccnc1N1CCCC1)N1CCC(c2ccccc2)CC1 58407003 CUCCHWVXJMUGAV-UHFFFAOYSA-N 350.466 4.093 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)Nc1cnc(C(C)(C)C)nc1 58407563 UDJDQNSEZMAXSV-UHFFFAOYSA-N 350.825 4.231 0 40 FIAB Cc1nn(CN(C)Cc2cccc(Cl)c2Cl)c(=O)c2ccccc12 12864209 URJKGSOXBKZXMJ-UHFFFAOYSA-N 362.260 4.101 0 40 FIAB COc1cc(SC)ccc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 10819755 UOBMIBISWPOTDB-UHFFFAOYSA-N 369.486 4.152 0 40 FIAB O=C(COc1ccccc1Cl)Nc1cc2c(cc1Cl)OCCCO2 11003749 HUIQBUFEACXDOH-UHFFFAOYSA-N 368.216 4.172 0 40 FIAB COc1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1Cl 3421815 GNHYJBLHRUTTIA-UHFFFAOYSA-N 358.747 4.418 0 40 FIAB Clc1ccccc1-c1nn2c([C@@H]3COc4ccccc4O3)nnc2s1 2435297 VSYFUTYONSWPME-AWEZNQCLSA-N 370.821 4.019 0 40 FIAB Cc1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12999556 GTWZRSAERGTMAO-MRXNPFEDSA-N 366.486 4.390 0 40 FIAB CN(Cc1nc2ccccc2s1)[C@H](C(=O)N1CCCC1)c1ccccc1 49655156 UZVUQFOWZARIFW-FQEVSTJZSA-N 365.502 4.092 0 40 FIAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 408669764 RYGLFLIHPZHSRA-MRXNPFEDSA-N 351.446 4.333 0 40 FIAB CC[C@H](C)c1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 6111442 PCYYEOPEYCARPB-ZDUSSCGKSA-N 366.486 4.343 0 40 FIAB CC(=O)Oc1ccc2ccccc2c1/C=C/c1nc2ccccc2c(=O)[nH]1 4370095 WZICWIGBHLVYQT-ACCUITESSA-N 356.381 4.172 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(F)cccc3F)o2)cc1 5210632 XBIAVVFAFYLGIQ-UHFFFAOYSA-N 361.373 4.054 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5249092 HNPLVMFPUXUJPZ-UHFFFAOYSA-N 367.261 4.304 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cccc(F)c2)o1 13946335 DSHFGCLJQWQTAR-UHFFFAOYSA-N 366.392 4.175 0 40 FIAB Cc1cccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)c1 5334942 BOTTZBGVZCEFSI-DEOSSOPVSA-N 370.452 4.185 0 40 FIAB Cc1ccccc1CS[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 4500470 YMWWHCYXTVINEC-KRWDZBQOSA-N 370.518 4.092 0 40 FIAB COc1ccccc1NC(=O)c1[nH]c2ccc(Br)cc2c1C 5451383 PCVAULOKMZESQH-UHFFFAOYSA-N 359.223 4.500 0 40 FIAB O=C(Nc1cccnc1N1CCCCC1)c1cnc(Cl)c(Cl)c1 65862493 FJEBVJDRKAMSEB-UHFFFAOYSA-N 351.237 4.026 0 40 FIAB C[C@H](NC(=O)CN1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 6882075 KFPFYERRPNHLAS-INIZCTEOSA-N 354.881 4.307 0 40 FIAB CN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 7763503 XOZYAAMKHCBKSY-UHFFFAOYSA-N 370.503 4.097 0 40 FIAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2C)cc1 409198490 GOZVLKUUPKWBPK-MRCUWXFGSA-N 352.459 4.202 0 40 FIAB COC(=O)c1cc(C(C)(C)C)sc1NC(=O)N1CCc2ccccc2C1 78652377 IMETWCDQOJCXPE-UHFFFAOYSA-N 372.490 4.422 0 40 FIAB COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1OC 20143222 SMLJIIFZGOVPQD-UHFFFAOYSA-N 367.401 4.017 0 40 FIAB Cc1c(Cl)cccc1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408707005 HQOGRSCLIHFVQF-UHFFFAOYSA-N 350.890 4.308 0 40 FIAB CCCOc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408811904 KUFUAUSXKRRMPT-UHFFFAOYSA-N 357.430 4.377 0 40 FIAB COc1ccc(C(=O)CCCCC(=O)Nc2ccc(C)c3cn[nH]c23)cc1 546794738 DZDPYUHUDYJODK-UHFFFAOYSA-N 365.433 4.262 0 40 FIAB Fc1ccccc1-c1nn2c(CSCc3ccccc3)nnc2s1 1501040389 OYHPFYXPGAXZIT-UHFFFAOYSA-N 356.451 4.425 0 40 FIAB CC[C@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(OC)cc1 219863755 CEPZMECHBHQONH-QFIPXVFZSA-N 366.505 4.488 0 40 FIAB CCOc1ccccc1CCCNC(=O)CCSCc1ccccc1 218995685 CAXFLWZHLCPFST-UHFFFAOYSA-N 357.519 4.458 0 40 FIAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)c2ccncc2)n1 72357822 HFIZHZDRPAHPDJ-NRFANRHFSA-N 373.456 4.053 0 40 FIAB CC(C)n1nccc1C(=O)Nc1nnc(-c2cc(Cl)sc2Cl)o1 36630126 XYERKBJLGMSCSR-UHFFFAOYSA-N 372.237 4.135 0 40 FIAB Cc1ccccc1-c1nnc(C)n1-c1ccc(OC[C@@H]2CCCOC2)cc1 532881451 BOQJJJNOUIQUJM-GOSISDBHSA-N 363.461 4.357 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(C(C)C)cc2)c1 219308793 CMXBFYGBIGWCAD-KRWDZBQOSA-N 355.478 4.335 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCN1CCCc2ccccc21 219320127 VEIJMRQYMNGUTC-QFIPXVFZSA-N 366.505 4.112 0 40 FIAB CN(CCOc1ccccc1F)C(=O)c1csc(-c2ccsc2)n1 39998492 ZFHUCTKPEWOLCI-UHFFFAOYSA-N 362.451 4.162 0 40 FIAB CC(=O)c1nnc(-c2ccc(C)cc2)n1Nc1ccc(Br)cc1 36649179 VJDUFLQWHRKLHY-UHFFFAOYSA-N 371.238 4.094 0 40 FIAB O=C(O)[C@@H](c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1 565103050 LVRHEJOLKSIOKH-GOSISDBHSA-N 370.449 4.441 0 40 FIAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCCC2)c1 225539384 QXTAJUQMJWOAHA-UHFFFAOYSA-N 367.445 4.299 0 40 FIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 224352657 WWMXKOGVJNBWPY-UXHICEINSA-N 362.502 4.458 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223256086 VAQSNGJTTSDDJU-INIZCTEOSA-N 359.473 4.220 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C(F)(F)F)c1 223155641 GWJJFXGNPICVFL-QGZVFWFLSA-N 367.367 4.188 0 40 FIAB CSc1cccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)c1 225735263 ADQDAJDBARTGES-UHFFFAOYSA-N 358.850 4.016 0 40 FIAB COc1ccc(Cl)cc1C(=O)OC1CN(c2nc3ccccc3s2)C1 77200621 HEBOJHZRHYVBSZ-UHFFFAOYSA-N 374.849 4.004 0 40 FIAB COc1ccc(NC(=O)c2cnc(Cc3ccccc3)nc2C)cc1Cl 225794436 PMXBMLHEQQFPNU-UHFFFAOYSA-N 367.836 4.290 0 40 FIAB Cn1cc(CN2CCCC[C@@H]2c2ccc(-c3cccc(F)c3)nc2)cn1 257223585 DXZYXANADAZCIX-OAQYLSRUSA-N 350.441 4.348 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1nc2ccccc2s1 390828158 AEKJJMIISXYZEO-ZDUSSCGKSA-N 370.455 4.081 0 40 FIAB O=C1S/C(=C/c2ccccc2)C(=O)N1CCOc1ccc(Cl)cc1 3187270 MRCHAIMJARVUGD-FOWTUZBSSA-N 359.834 4.455 0 40 FIAB COc1ccccc1/C=C/CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 12293103 VKKLZTLWEHZEPN-OHNJSALPSA-N 367.464 4.362 0 40 FIAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 13092445 VVPBHDWLMLGMEA-UHFFFAOYSA-N 355.777 4.228 0 40 FIAB Cc1ccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)cc1C 13551063 RULLKGHYTVUNJN-UHFFFAOYSA-N 354.435 4.378 0 40 FIAB COc1ccc(CCN(C)C(=O)c2cc3cc(Cl)ccc3o2)cc1OC 14804153 VSOGUNIHBNVPLJ-UHFFFAOYSA-N 373.836 4.418 0 40 FIAB O=C(OCc1c(Cl)cccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 16488959 RSYNDNPOMCGGOA-GFCCVEGCSA-N 364.228 4.090 0 40 FIAB CC(C)(C(=O)NCC1(c2cccc(F)c2)CCOCC1)c1ccc(F)cc1 19718473 XZBTYOFTLNQXQH-UHFFFAOYSA-N 373.443 4.107 0 40 FIAB CCc1s/c(=N\c2ccc(Cl)c(Cl)c2)n(C(C)=O)c1OC(C)=O 5375734 SZVOIQNIDQTGHC-SDXDJHTJSA-N 373.261 4.237 0 40 FIAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)c1 6478766 JOZKTEBXKRFPIU-MHWRWJLKSA-N 354.387 4.140 0 40 FIAB O=C(N[C@@H](c1ccc2c(c1)OCCO2)C(F)(F)F)c1ccccc1Cl 39995653 XBJNKFDSLGHEJX-HNNXBMFYSA-N 371.742 4.145 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 2887438 HXLVDUCNJPNZJI-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)[C@@H](C)Oc2ccccc2)c1 4120328 VIBDYYMNPJNVHP-QGZVFWFLSA-N 368.502 4.202 0 40 FIAB O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1F 5259226 JXXDPVONHLAJQX-UHFFFAOYSA-N 362.408 4.135 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1F 8076669 WFPAOZAHKLEHDS-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)c1cccc(Cl)c1 207964520 WTEJWGGUDLXQKV-MRXNPFEDSA-N 363.891 4.475 0 40 FIAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(OC(F)F)cc1 40103169 KXYPCZQMAPONBH-LBPRGKRZSA-N 350.365 4.136 0 40 FIAB Cc1cccnc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 40143977 VGNIYEMMWUGIIJ-UHFFFAOYSA-N 363.465 4.328 0 40 FIAB COc1ccc([C@@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F 31072463 SUBOCHJOFUWJTC-OAHLLOKOSA-N 365.470 4.107 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 911485 FWWBASBPTFCFLX-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 917741 JQVBHJKSOIEOIG-UHFFFAOYSA-N 352.415 4.018 0 40 FIAB Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccccc3Cl)cnc12 1034707 JHESQOOCSDRXAE-UHFFFAOYSA-N 355.850 4.325 0 40 FIAB O=C(NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 1036831 RNYOVKOAIVBKNS-UHFFFAOYSA-N 362.273 4.349 0 40 FIAB Cc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccccc2)cc1 1381181 UCXNMEMNOUUOHE-LJQANCHMSA-N 365.454 4.271 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cncc(Br)c1 2623804 VDSMXLIOVPBSOO-UHFFFAOYSA-N 363.255 4.403 0 40 FIAB CCCCCn1c([C@H](C)NC(=O)COc2ccccc2)nc2ccccc21 2721367 YRFTZYXNVLUFQJ-KRWDZBQOSA-N 365.477 4.483 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(Cl)cc1 3475159 HREYQWQQVCUTLN-UHFFFAOYSA-N 351.840 4.182 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 3861512 KRBMZSYRIJAAMS-KIYFCUGLSA-N 374.521 4.201 0 40 FIAB in-vitro CCOc1ccc(CC(=O)N2CCN=C2SCc2cccc(C)c2)cc1 4120232 HGDVSQDLZXSMOQ-UHFFFAOYSA-N 368.502 4.068 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)[nH]c2c1 4274000 RKTPFZRZXXYKNG-RYUDHWBXSA-N 373.453 4.069 0 40 FIAB Clc1ccc(CSc2nnc3ccc(-c4cccnc4)nn23)cc1 4377008 VBCHEYHTVLBSIB-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB Cc1ccc(C(=O)COC(=O)CSc2nc3ccccc3s2)cc1 4539640 WFIRRTXNBIEOOH-UHFFFAOYSA-N 357.456 4.123 0 40 FIAB COc1ccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 4649862 FYZZHJJXIVNPLW-UHFFFAOYSA-N 359.389 4.049 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Br)cc2F)c1 4694040 PXSMCBUOJAJXSM-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCCc2ccccc21 5442827 FTISZWIYXQEWHO-UGSOOPFHSA-N 374.278 4.410 0 40 FIAB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 5517901 CJKFLPOQGZTHDE-HXUWFJFHSA-N 365.458 4.044 0 40 FIAB CCc1ccccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980783 FNTCYPGBNICQQQ-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB Cc1sc2nc(SCC(=O)C(C)(C)C)n(CC(C)C)c(=O)c2c1C 6141312 SFAZBRRRENWSBS-UHFFFAOYSA-N 366.552 4.438 0 40 FIAB C[C@H](C(=O)Nc1ccccc1Cl)N1C(=O)c2cccc3cccc1c23 6416177 ZICHMXFDPDLKSO-GFCCVEGCSA-N 350.805 4.481 0 40 FIAB CNc1nc(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccccc12 6835280 ZBCZHSNUPDCBJE-UHFFFAOYSA-N 352.463 4.019 0 40 FIAB CCN(CC)C(=O)[C@H](Sc1nc2ccc(OC)cc2[nH]1)c1ccccc1 6931089 BAZJUWLCDTUYEN-GOSISDBHSA-N 369.490 4.273 0 40 FIAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1C1CC1 7128567 LGUVONUSULHYIA-IBGZPJMESA-N 364.836 4.459 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7477055 NFXXCDZDSUOGTP-UHFFFAOYSA-N 374.912 4.310 0 40 FIAB Cc1ccc(SCC(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1 7978976 SBDUGAXNMATAQR-UHFFFAOYSA-N 367.829 4.062 0 40 FIAB c1ccc2c(c1)oc1c(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)ncnc12 8131912 JPARAZMAAQPQKM-MRXNPFEDSA-N 373.412 4.489 0 40 FIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C)cc2C)c1 9141941 JVQSIASLWNJDFR-UHFFFAOYSA-N 360.841 4.323 0 40 FIAB Cc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)o1 9553558 IAYDBLHYQORHIM-UHFFFAOYSA-N 357.413 4.371 0 40 FIAB CCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCC 10038422 IRWUBRVYSRLBCU-UHFFFAOYSA-N 362.809 4.177 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1 10112652 UVRQVTUTCQSNDP-UHFFFAOYSA-N 361.463 4.208 0 40 FIAB O=S(=O)(NCCCc1ccc(F)cc1)c1cc(Cl)ccc1Cl 10543320 QDRLOKOZOUVREW-UHFFFAOYSA-N 362.253 4.044 0 40 FIAB CCOc1cc(C=O)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 11529435 ULWTZKMDHWXJRR-UHFFFAOYSA-N 368.216 4.222 0 40 FIAB Cc1ccc(C)c(-n2c(N)c(C(=O)NCc3ccccc3)sc2=S)c1 12415948 AHOCQKZFAHBRPY-UHFFFAOYSA-N 369.515 4.397 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnnn1C1CCCCC1 12855866 ZPHXDKYKRWHYFL-ZDUSSCGKSA-N 369.494 4.332 0 40 FIAB CNC(=O)NC(=O)CCS[C@@H](c1ccccc1)c1ccc(Cl)cc1 12946976 ZAYPXPFZYJPQEP-KRWDZBQOSA-N 362.882 4.008 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccccc1C(F)(F)F 13695893 CTJFTUJHKNYEJN-UHFFFAOYSA-N 374.362 4.257 0 40 FIAB O=C(/C=C/c1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1 13784940 FJSJWBUSLVSICL-FOCLMDBBSA-N 367.452 4.414 0 40 FIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccccc1F 14062492 ZQRKKPBSAODOPO-UHFFFAOYSA-N 360.335 4.008 0 40 FIAB O=C1N(Cc2ccccc2Cl)c2ccccc2C12O[C@H]1CCCC[C@H]1O2 15320072 MBUDUBBRGUDJST-PMSBKCLSSA-N 369.848 4.398 0 40 FIAB Fc1ccccc1N1CCN(Cc2csc(-c3ccsc3)n2)CC1 15377462 FYIAVFLKYHBGBQ-UHFFFAOYSA-N 359.495 4.333 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(CC)cc2)cc1 15498921 HKXXHOZTUDOVDS-UHFFFAOYSA-N 353.418 4.027 0 40 FIAB CC(C)OC(=O)C[C@H](NC(=O)c1ccsc1)c1ccccc1Cl 16107480 UYNMFMWIVQEOTP-HNNXBMFYSA-N 351.855 4.214 0 40 FIAB O=C(OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 16488968 WFSYDPZKPXPMSR-CYBMUJFWSA-N 364.228 4.090 0 40 FIAB Cc1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c2c(C)nn(C(C)C)c2n1 17075319 BRUHVTMDUGFZFQ-UHFFFAOYSA-N 366.509 4.184 0 40 FIAB Fc1ccccc1CCNCc1cn(-c2ccccc2)nc1-c1cccnc1 17317858 RODFGNSVIXLPSA-UHFFFAOYSA-N 372.447 4.406 0 40 FIAB CCCn1nc(C)c(-c2cncn2C[C@@H](C)n2nc(C)c(C)c2C)c1C 19654616 CHADROJDJXFNBF-CYBMUJFWSA-N 354.502 4.156 0 40 FIAB Cc1ccc2cccc(NC(=O)c3ccccc3OCc3nonc3C)c2n1 19663283 PQTKHWCJSNJDQD-UHFFFAOYSA-N 374.400 4.066 0 40 FIAB CC[C@H](NC(=O)c1ccc(I)cc1)c1ccccc1 20041699 MHTXYIOKNAUQHF-HNNXBMFYSA-N 365.214 4.172 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1OC 20483415 NKOZNNZWKUSDQG-SNVBAGLBSA-N 353.390 4.101 0 40 FIAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(N)=O 21104896 VUMMKQWMAXHMCU-UHFFFAOYSA-N 357.866 4.079 0 40 FIAB Cc1ccc(-c2cnc(CCC(=O)N3CCc4ccccc4C3)o2)cc1C 21960432 BAIVFMXJGOIVTH-UHFFFAOYSA-N 360.457 4.476 0 40 FIAB CN(Cc1nc(O)c2ccc(Cl)cc2n1)[C@H]1CCCc2ccccc21 22024833 QWXXFEKREZJQMK-SFHVURJKSA-N 353.853 4.498 0 40 FIAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccnc2)s1 22958002 ZKEPMTCSBPEYNS-JYRVWZFOSA-N 360.801 4.061 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 24962329 QKICBBKWPOANFK-DLBZAZTESA-N 370.518 4.095 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 25075410 KEWUQWJFKFYHIV-UHFFFAOYSA-N 369.396 4.266 0 40 FIAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1 28219942 KMBUBASFGPOTJI-UHFFFAOYSA-N 363.442 4.135 0 40 FIAB CCOCc1ccccc1CNC(=O)N[C@H](C)c1cc(C)ccc1OC 28347098 QDVYALRHFDXCOW-MRXNPFEDSA-N 356.466 4.101 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)N3CCC[C@H]3c3ccccc3)CC2=O)c1C 32883772 SYTWENXRDGMSDB-CTNGQTDRSA-N 362.473 4.020 0 40 FIAB CC(C)c1ccc(Sc2ccc(N3CCC(C(=O)O)CC3)nn2)cc1 33268133 CSNMHWWILQSZSL-UHFFFAOYSA-N 357.479 4.052 0 40 FIAB in-vitro C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC(=O)O)C[C@H](O)C[C@H]1O 33956044 MBLYZRMZFUWLOZ-FEUSBDLHSA-N 374.521 4.238 0 40 FIAB COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)c2ccccc12 35685878 IPEJENMZXWIWEY-UHFFFAOYSA-N 370.455 4.259 0 40 FIAB Cn1cnc2c(N(Cc3ccccc3)Cc3ccccc3)nc(Cl)nc21 35900437 YJFBPGXKTTUNQH-UHFFFAOYSA-N 363.852 4.224 0 40 FIAB COc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 36148791 KRQYIWLRWJSYAY-UHFFFAOYSA-N 353.443 4.091 0 40 FIAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)N1CCCCC1 36182084 GXUNRAVUADAEJI-UHFFFAOYSA-N 363.486 4.427 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1C 36635463 WWAFUMSCCXUQNQ-INIZCTEOSA-N 363.244 4.354 0 40 FIAB CC(C)n1nccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 40161359 GRAGSQLZXXCQPS-VXGBXAGGSA-N 369.296 4.449 0 40 FIAB Cc1ccccc1CN(CCCn1ccnc1)Cc1nc2ccccc2[nH]1 43277695 AUMZTOGDHNHWOB-UHFFFAOYSA-N 359.477 4.160 0 40 FIAB COc1cc(Cl)c(NC(=O)NCCSC2CCCC2)cc1OC 43938274 XLPNZZBPAJNOFK-UHFFFAOYSA-N 358.891 4.155 0 40 FIAB CN(Cc1cc(Br)cs1)C(=O)c1ccc2ccccc2n1 48069577 IHMZRGNVBHZLDW-UHFFFAOYSA-N 361.264 4.331 0 40 FIAB CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 57307465 QHMVVJXZEDDZMN-IURSYISVSA-N 370.836 4.500 0 40 FIAB COc1ccccc1CNC(=O)CSCc1c(F)cccc1Cl 57684115 KKDBEOIXZSXXOS-UHFFFAOYSA-N 353.846 4.037 0 40 FIAB O=C(NCc1ccccn1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58014293 CMUZBHCPJRQQRV-UHFFFAOYSA-N 370.428 4.061 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 59227316 KMNJGMMBYFLAPG-CYBMUJFWSA-N 362.351 4.005 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)c1 59227317 KMNJGMMBYFLAPG-ZDUSSCGKSA-N 362.351 4.005 0 40 FIAB Brc1ccc([C@@H]2CN(CCc3cccs3)CCO2)cc1 60333633 BIIHQSRUZZAUNK-INIZCTEOSA-N 352.297 4.127 0 40 FIAB Cc1cc(C)c(C(=O)CN2CCN(c3cccc(C)c3C)CC2)cc1C 67206302 KBYXPRKKULAZMY-UHFFFAOYSA-N 350.506 4.234 0 40 FIAB Clc1ccc(CN2CCCN(Cc3ccncc3Cl)CC2)cc1 72304839 XHUWOXORLWYEMF-UHFFFAOYSA-N 350.293 4.096 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)N[C@H](c2cccs2)C(C)(C)C)cc1 84169259 VVVRDYDVFGREIK-QGZVFWFLSA-N 374.506 4.464 0 40 FIAB CCOC(=O)C1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 95460580 KVJFNKLYYQXUPK-UHFFFAOYSA-N 353.249 4.321 0 40 FIAB CC[C@@H](C)n1nc(NC(=O)c2ccc(Br)c(F)c2)cc1C 95463234 HZFPGBQJLGYJKD-SECBINFHSA-N 354.223 4.316 0 40 FIAB O[C@H](CNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccco1 95949193 UEBCDBZBMBJOCN-CQSZACIVSA-N 355.394 4.236 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NCC(=O)Nc1ccc(Cl)cc1 97104253 JDUNNZHABIACIJ-UHFFFAOYSA-N 354.841 4.193 0 40 FIAB C[C@@]12CC3CC(C(=O)N4CCN(Cc5ccccc5)CC4)(C1)C[C@@](C)(C3)C2 101024196 VGQXJASAXVAFKB-CNHJLYCKSA-N 366.549 4.327 0 40 FIAB C[C@H](Sc1nnc(-c2cccs2)[nH]1)C(=O)c1cc(F)ccc1F 106587227 FFSPLCFVBKXEMK-QMMMGPOBSA-N 351.403 4.175 0 40 FIAB O=C(c1cccc(-n2cccn2)c1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206874663 OTBXYIYQCRNEKR-LJQANCHMSA-N 363.436 4.421 0 40 FIAB Cc1ccc(CNC(=S)Nc2nc(C)c(Cl)cc2Br)o1 223904318 RBNJTQSXWKDDFH-UHFFFAOYSA-N 374.691 4.194 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 223975428 SOFUHERQTKASJH-LBPRGKRZSA-N 371.308 4.179 0 40 FIAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COCC(C)C 224453641 VIYKFTJQXJNBJF-UHFFFAOYSA-N 353.462 4.066 0 40 FIAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224647272 NSTKLNIFLDSIRB-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB Cc1cc(Br)cc2sc(-n3ncc4ccccc4c3=O)nc12 226335026 AVCXJWMTDCZWAX-UHFFFAOYSA-N 372.247 4.066 0 40 FIAB Cc1ccsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(C)CC2)C1 306141485 VXTJAMWAZKZJNC-UHFFFAOYSA-N 372.582 4.122 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)cc3)C(=O)[C@H]2C1 408679201 GHLZQVOTLNOMMR-MJGOQNOKSA-N 374.440 4.093 0 40 FIAB CC(C)COc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408707482 BXUGIEDJBWPVGT-UHFFFAOYSA-N 374.525 4.381 0 40 FIAB CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1O 409121600 YVHZWLTXMGBDGG-UHFFFAOYSA-N 352.228 4.174 0 40 FIAB O=C(NCC[C@H]1CCc2ccccc21)c1cc(Br)ccc1F 1595848224 YIMKETVRBYJLHG-CYBMUJFWSA-N 362.242 4.438 0 40 FIAB Cc1cccc(OC[C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n1 1775969479 ULQAJCXJVQREBV-HNNXBMFYSA-N 359.857 4.366 0 40 FIAB CCOc1ccccc1NC(=O)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775969729 IMSDHWRPTQOWEV-OAHLLOKOSA-N 372.446 4.262 0 40 FIAB FC(F)(F)c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 632361 RTYYKACGIHGLJQ-UHFFFAOYSA-N 360.364 4.322 0 40 FIAB COc1cc([C@@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc(OC)c1O 818086 OIRKLMWTSZJPNX-OAQYLSRUSA-N 365.433 4.171 0 40 FIAB O=C1CCCCC[C@@H]1Cc1cc(O)c(C[C@H]2CCCCCC2=O)cc1O 1570275 SAIVAXSJCXPLEJ-HZPDHXFCSA-N 358.478 4.482 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1 2271579 IKZROPBOHLBFCL-OAQYLSRUSA-N 360.413 4.475 0 40 FIAB CCCCCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21 2293813 ZQBLUNOBHCAITA-UHFFFAOYSA-N 353.418 4.239 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2642507 ZFZUADBADSZITD-QMTHXVAHSA-N 368.264 4.010 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1C 2788668 VLDJBJNTYDMDCN-OAHLLOKOSA-N 371.264 4.307 0 40 FIAB CCCCc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 3092274 NVSASEOVKNPIKE-UHFFFAOYSA-N 352.478 4.107 0 40 FIAB O=C(COc1ccc(Cl)cc1)OCc1ccc(Br)cc1 3260316 IBVFVJHVSGWUAS-UHFFFAOYSA-N 355.615 4.225 0 40 FIAB CCN(C(=O)COc1ccc(-c2nnco2)cc1)c1cccc2ccccc12 3311395 ZCVZQXLQTUQQMR-UHFFFAOYSA-N 373.412 4.322 0 40 FIAB CC(C)(C)c1cc(C(=O)NCCc2ccccn2)cc(C(C)(C)C)c1O 3988939 KUNLNPLMRZLFJE-UHFFFAOYSA-N 354.494 4.355 0 40 FIAB Cc1cc(Br)ccc1NC(=O)C(=O)c1c[nH]c2ccccc12 4163259 FYPZLLMEPUMYIJ-UHFFFAOYSA-N 357.207 4.060 0 40 FIAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccccc1 4307542 CCYQPOWKAFWJQN-NRFANRHFSA-N 360.413 4.128 0 40 FIAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1Cl 4687352 LHLGEGAHHITZJE-UHFFFAOYSA-N 362.882 4.482 0 40 FIAB CCOc1cc([C@H]2NC(=O)c3ccccc3O2)cc(Cl)c1OC(C)C 4997924 HDIFHIQVCJRNNQ-IBGZPJMESA-N 361.825 4.347 0 40 FIAB Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCC1=O 5440027 FBVLDKJNTBQBLH-UHFFFAOYSA-N 373.250 4.137 0 40 FIAB Cc1cccc(C(=O)Nc2cccc(I)c2)c1C 5443545 RFWLMQJOBJLOPO-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)cc1 5863846 NIOLCYRXHXNXQQ-CYBMUJFWSA-N 370.478 4.318 0 40 FIAB CCOc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 6372626 OEGXVYJRFIKLGG-UHFFFAOYSA-N 355.312 4.001 0 40 FIAB COc1ccc(NC(=O)CN(C)Cc2ccccc2Cl)cc1Cl 6640137 KNXFZCYPZGGBNZ-UHFFFAOYSA-N 353.249 4.073 0 40 FIAB Cc1ccc(SCCN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 7003426 PUPWUFMWBDFPBQ-MGPUTAFESA-N 360.523 4.224 0 40 FIAB O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cccnc1 7456166 WFDWILWEYFXQDX-UHFFFAOYSA-N 362.414 4.016 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cccc(C(C)=O)c1)O[C@H](C)C2 7968804 GFIWGVUCTMKWOZ-MYSGNRETSA-N 365.429 4.263 0 40 FIAB C[C@H](NC(=O)[C@@H](C)SC(=S)N(C)C)c1ccc(Cl)cc1Cl 7979826 VRQMDQOJUIGSPV-DTWKUNHWSA-N 365.351 4.139 0 40 FIAB O=C(O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 8730868 VFSAMNDZFRXOGE-UHFFFAOYSA-N 352.152 4.078 0 40 FIAB Cc1ccc(-c2nc3ncccn3c2NC(=O)OCc2ccccc2)cc1 8845485 AGCHRUFBOIQMQP-UHFFFAOYSA-N 358.401 4.453 0 40 FIAB Cc1cccc(Cn2nc(-c3ccc(F)cc3)c3sc(C)nc3c2=O)c1 8955543 FZHVSFDFPFFFTI-UHFFFAOYSA-N 365.433 4.324 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1c(F)cccc1Cl 9037784 POFLTBKPRSJFMI-UHFFFAOYSA-N 372.827 4.026 0 40 FIAB COc1ccc(/C=C/c2nnc(NC(=O)c3cccc(F)c3)s2)cc1 9350087 ANTGVGMQZNUJFL-JXMROGBWSA-N 355.394 4.109 0 40 FIAB CCOc1ccc(-c2nnc(SCC(=O)c3ccccc3F)o2)cc1 9499902 AWWOLZTTWTVJMX-UHFFFAOYSA-N 358.394 4.249 0 40 FIAB O=C(Nc1ccnn1C1CCCC1)c1ccc(COc2ccccc2)o1 9536235 OKPYOJKSFHUAGB-UHFFFAOYSA-N 351.406 4.423 0 40 FIAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@@H]1c1ccccc1 9957042 XOALRCYHLRSOHA-IENJSVCTSA-N 367.445 4.089 0 40 FIAB Brc1cccc(-c2nnc(SCCc3ccccn3)o2)c1 10320719 MPYMNVRBTIODJC-UHFFFAOYSA-N 362.252 4.229 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 12062460 NYGKOBNIGQXRMX-UHFFFAOYSA-N 368.364 4.218 0 40 FIAB CCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1cccc(C)c1 12555346 YZGHIYIMIIAOAG-UHFFFAOYSA-N 372.428 4.276 0 40 FIAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccco1)c1ccccc1 12764986 LKVNANYLYFFCNE-INIZCTEOSA-N 362.429 4.342 0 40 FIAB CC(=O)c1sc(NC(=O)Cc2ccccc2F)nc1-c1ccccc1 14658170 USVKOOUJQYUIHE-UHFFFAOYSA-N 354.406 4.333 0 40 FIAB Cc1ccc(N2CC(=O)N(c3ccccc3)[C@@H](c3ccccc3)C2=O)cc1 15413212 FVUIDZAQRHVOGE-QFIPXVFZSA-N 356.425 4.116 0 40 FIAB Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(Cl)cc3)n2)c1 15674367 HSNGHQMWTJETCU-MSOLQXFVSA-N 369.852 4.006 0 40 FIAB biogenic,in-vitro CCOC(=O)c1ccc(Nc2cc(C)nc3nc(-c4ccccc4)nn23)cc1 15780418 XGXAOSJKNLZTJZ-UHFFFAOYSA-N 373.416 4.020 0 40 FIAB CC(C)CCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 30451546 STNNMDHTERXXCT-UHFFFAOYSA-N 372.396 4.181 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c(Cl)c1 31669696 RFZWTCUVMUGHSA-UHFFFAOYSA-N 357.809 4.068 0 40 FIAB Clc1cccc(Cl)c1Cc1nnc2sc(-c3cccnc3)nn12 32095384 XMJKKNVBYCYFFC-UHFFFAOYSA-N 362.245 4.145 0 40 FIAB C[C@@H](OCCCNC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 32907539 DXLNGIXPOXXRMM-QGZVFWFLSA-N 350.462 4.385 0 40 FIAB COc1cc(CO)c(Br)cc1OCc1ccc(Cl)cc1 34772909 RSGAHBTZQUIFHR-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB O=C(OCc1noc(-c2ccsc2)n1)c1cc2ccccc2cc1O 39554165 XMQHYOKCZMJUDO-UHFFFAOYSA-N 352.371 4.014 0 40 FIAB C[C@H](NC(=O)CN1CCC[C@H](C(F)(F)F)C1)c1ccc2c(c1)CCCC2 39985840 WTLJONSCQMTXQQ-KSSFIOAISA-N 368.443 4.017 0 40 FIAB CCCc1cc(SCC(=O)Nc2ccccc2C(F)(F)F)ncn1 44225106 HUYZKKXRVWADKB-UHFFFAOYSA-N 355.385 4.179 0 40 FIAB CC(C)NC(=O)Nc1ccc(CNCc2ccc(OC(F)F)cc2)cc1 48784752 SPAQFFKGOXBRIF-UHFFFAOYSA-N 363.408 4.108 0 40 FIAB CCc1nc(-n2cccc2)sc1C(=O)N[C@H](C)CCc1ccccc1 49006257 KBMPTRNJHIHIMS-OAHLLOKOSA-N 353.491 4.247 0 40 FIAB O=C(N[C@H](c1ccccc1)C1CC1)N1CCC(Oc2ccccc2)CC1 56593012 LEOOMBBGXUZZDP-OAQYLSRUSA-N 350.462 4.391 0 40 FIAB CN(Cc1c(F)cccc1Cl)Cn1ncn(-c2ccccc2)c1=S 57395311 YAHFETOIKVIIIP-UHFFFAOYSA-N 362.861 4.285 0 40 FIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cccc(O)c1 57435305 IUAIAOLJXUDYGC-WQLSENKSSA-N 358.319 4.065 0 40 FIAB CCOc1ccc(C(F)(F)F)cc1NCC(=O)NCc1ccc(C)cc1 60089341 LLSGIJFAWKDSNQ-UHFFFAOYSA-N 366.383 4.141 0 40 FIAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccccc3)nc2C)no1 65402486 QRYBTTDFGXBEIM-UHFFFAOYSA-N 370.478 4.119 0 40 FIAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2snc(-c3ccc(F)cc3)c2N1 66091431 LZHWMZZFZZVYOB-ZDUSSCGKSA-N 368.389 4.152 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 69049047 PIDMGOVESLRVGM-QMMLZNLJSA-N 364.489 4.243 0 40 FIAB Cc1ccc(Nc2nc(C)c(C(=O)NCCCOC(C)C)s2)c(C)c1 71326654 GRCVUHAWSFMZKX-UHFFFAOYSA-N 361.511 4.357 0 40 FIAB COc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)c(Br)c1 71853663 GTGVONVCPTZGCL-NSHDSACASA-N 364.239 4.417 0 40 FIAB COc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 72358949 AZPZBCLYVMOJAO-GOSISDBHSA-N 365.477 4.048 0 40 FIAB COc1ccc(CN(C)C(=O)NCC(C)(C)c2ccc(C)cc2)cc1F 78402232 JHWQDPAXJOTEDA-UHFFFAOYSA-N 358.457 4.262 0 40 FIAB FC(F)(F)c1cnc(NCCc2nnc(-c3ccccc3)o2)c(Cl)c1 78990272 FPUGHXXHBFVUQI-UHFFFAOYSA-N 368.746 4.458 0 40 FIAB CC(C)OC1CCC(N[C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 96003191 SKPYXSFULBZORD-TTWXDQCFSA-N 356.554 4.223 0 40 FIAB Cc1ccccc1CSCC(=O)NCC1(c2ccccc2)CCOCC1 97492990 QGLQRHNANABGOH-UHFFFAOYSA-N 369.530 4.093 0 40 FIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCc1csc2ccccc12 183503240 MAFPXHPEGWYAHU-KRWDZBQOSA-N 368.506 4.330 0 40 FIAB O=Cc1cn(C(=O)OCc2ccccc2)c2c(Br)cccc12 199814524 JZXPXJCOFQXUKP-UHFFFAOYSA-N 358.191 4.401 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1cc(C)cc(C)c1C 218968093 OHYHKDFAVPFUFR-UHFFFAOYSA-N 355.478 4.138 0 40 FIAB Cc1ccccc1[C@@H]1CCN(C(=O)COc2ccc(F)cc2)CCS1 219278628 POLDRPKWSRRMOR-IBGZPJMESA-N 359.466 4.220 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c(C)c1 219513346 WICJMUQDMSGSRP-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB COc1ccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 223430588 NHPNXZLMZOWHQZ-LTGZKZEYSA-N 363.413 4.024 0 40 FIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccn1 223521647 PPZQVSLSRBZCFO-DLBZAZTESA-N 366.515 4.019 0 40 FIAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225021511 ZEOQWBDPJWUALN-MOPGFXCFSA-N 354.523 4.379 0 40 FIAB CCOc1ccc(C(=O)NCCSCc2cccc(C)c2)cc1OCC 225059985 ITAKRVVQKJMAMZ-UHFFFAOYSA-N 373.518 4.456 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)cc3)ccc21 225126398 BIKMGAJQZVIEDV-UHFFFAOYSA-N 360.866 4.308 0 40 FIAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225503925 GVZCUYTWNGBOLP-UHFFFAOYSA-N 366.505 4.468 0 40 FIAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1ccc(C(F)(F)F)cc1 225592370 ARHBEGCVMGXTKX-UHFFFAOYSA-N 371.362 4.135 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 225730663 UVDHBOBDMUIHGV-CALCHBBNSA-N 363.571 4.128 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C)N=O 226324233 YRZPDZKJZDPQIF-CVERSAMXSA-N 374.525 4.253 0 40 FIAB COc1ccc(Br)cc1C(=O)Nc1c(C)cc(N)cc1Cl 226763116 YGZBZBYACGIDDC-UHFFFAOYSA-N 369.646 4.254 0 40 FIAB Cc1cccnc1Nc1ccc([C@@H]2CN(CCc3ccccc3)CCO2)nc1 257212138 CCBSIRGEROIREI-QFIPXVFZSA-N 374.488 4.145 0 40 FIAB CO[C@@]1(COc2ccc(C)cc2)CCCN(Cc2ccc(O)cc2)CC1 257233404 GPDJDUBCEPAIDK-QFIPXVFZSA-N 355.478 4.151 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Oc2ccccc2)cc1Cl 408737258 MSPWEKABAUKIEG-QGZVFWFLSA-N 358.825 4.250 0 40 FIAB Cc1cccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)c1 409115046 HZVACGPMYFFDJX-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(O)cc(C(F)(F)F)c1 566829667 WMXQYAYXVGOFEN-AWEZNQCLSA-N 356.731 4.261 0 40 FIAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1ccc2c[nH]nc2c1 585081071 BZNSPWZZPXWCBF-UHFFFAOYSA-N 362.477 4.356 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cc(Br)c(C)cc2C)cc1 1615546246 NJLDECONAOFZCC-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(C(C)(C)C)cc2)c1 1889145753 DUMZSIMHBGTFJC-YOFSQIOKSA-N 351.494 4.497 0 40 FIAB CCc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 1330221 LFUKAZRTIKVGEY-UHFFFAOYSA-N 370.518 4.325 0 40 FIAB Cc1cc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)no1 1339927 HVSXILUINQGXNE-UHFFFAOYSA-N 353.447 4.059 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1F 1343213 VXVJOBGWUFNVRL-QGZVFWFLSA-N 355.413 4.078 0 40 FIAB CN(C)c1ccc([C@@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 1407296 DGYBEHPEECVYCP-SFHVURJKSA-N 372.472 4.067 0 40 FIAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1F 1518692 GWIFFJSWAQDAEM-UHFFFAOYSA-N 366.373 4.308 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 2081150 HKWFXYDOYBOQHB-UHFFFAOYSA-N 362.223 4.268 0 40 FIAB CCOC(=O)NC(=C(Cl)Cl)P(=O)(N(CC)CC)N(CC)CC 3078644 UACRMVURGKOACB-UHFFFAOYSA-N 374.249 4.213 0 40 FIAB O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4077169 KZGFYLXEALKXCS-UHFFFAOYSA-N 369.877 4.454 0 40 FIAB O=C(CCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 4167569 CXNFYHLUDNTUHV-UHFFFAOYSA-N 352.415 4.110 0 40 FIAB Cc1ccc(C(=O)NCCSc2ncc(-c3ccc(C)cc3)[nH]2)cc1 4315401 ZUOCTWWTMDPCDA-UHFFFAOYSA-N 351.475 4.216 0 40 FIAB CN(C)CCCN(C(=O)c1ccco1)c1nc2ccc(Cl)cc2s1 4359647 HRWZLSGNASCXOO-UHFFFAOYSA-N 363.870 4.141 0 40 FIAB CCCC[C@H](CC)COC(=O)C[C@H](O)C(=O)OC[C@@H](CC)CCCC 4759381 ZDVFAKWEMOAQQR-BZSNNMDCSA-N 358.519 4.257 0 40 FIAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854367 LQURNUJELCGXPK-LJQANCHMSA-N 353.372 4.403 0 40 FIAB CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1 5378884 ZWMQIUIBDKFXRR-UHFFFAOYSA-N 359.381 4.095 0 40 FIAB COc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)cc(Cl)c1OC 5429845 BCQQOPLREAHSGW-UHFFFAOYSA-N 373.792 4.369 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 5455999 IXFQWBAQRSUMCY-UHFFFAOYSA-N 373.408 4.022 0 40 FIAB Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1CCc1ccc(Cl)cc1 6060567 UGVITUZCWSPIGN-UHFFFAOYSA-N 374.897 4.094 0 40 FIAB CCNC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 6589685 BEOFHVDQXOZRMQ-UHFFFAOYSA-N 352.459 4.139 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(C(F)(F)F)cc1Cl 7989430 UNEZOTGQYWOEBE-UHFFFAOYSA-N 371.742 4.311 0 40 FIAB CNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 8033718 SIGAJVHZEWCUIR-UHFFFAOYSA-N 371.396 4.107 0 40 FIAB COc1ccc(OCC(=O)N2CCCCC[C@@H]2c2ccc(OC)cc2)cc1 8270420 HRRKIZXNYPGJLH-OAQYLSRUSA-N 369.461 4.227 0 40 FIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCc3ccncc3)cc2s1 8990401 JHTBSPLOELXFCI-UHFFFAOYSA-N 362.458 4.029 0 40 FIAB Cc1c(CN(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)cnn1C 12186553 IBIUORBUAHMJSF-UHFFFAOYSA-N 372.532 4.179 0 40 FIAB Cc1ccc(-c2nc3c4c5c(sc4nc(C)n3n2)COC(C)(C)C5)o1 12390446 UOLUGGZOCGANSF-UHFFFAOYSA-N 354.435 4.067 0 40 FIAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)oc2ccc(F)cc12 12578738 DIDFFMKKNCXSJV-SFHVURJKSA-N 363.392 4.133 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2c(F)c(F)cc(F)c2F)c1C 12611651 SCHJYORJDGRSFL-VIFPVBQESA-N 357.303 4.041 0 40 FIAB O=C(NCc1ccco1)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 12754229 QCVAHPWDBNQKJS-UHFFFAOYSA-N 367.792 4.309 0 40 FIAB C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccco1 12792869 GQPWFFGGAIQFBN-AWEZNQCLSA-N 356.422 4.001 0 40 FIAB CCc1ccc(-c2nc(COc3cc(OC)ccc3C(N)=O)cs2)cc1 12945834 OHOYZMCEFUTEIO-UHFFFAOYSA-N 368.458 4.059 0 40 FIAB Cc1ccccc1OCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12999559 GTWZRSAERGTMAO-INIZCTEOSA-N 366.486 4.390 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1cc(C)cc(C)c1)O[C@@H](C)C2 13000765 AGJMPAZAFPUFFY-HNNXBMFYSA-N 355.434 4.043 0 40 FIAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1 13022475 PIKUMAFWJXIASF-UHFFFAOYSA-N 355.365 4.033 0 40 FIAB Cc1nc2nc(SCc3nc4ccccc4[nH]3)[nH]c2cc1Br 13125487 RHHQYJPXYVPMKK-UHFFFAOYSA-N 374.267 4.197 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1C 13669323 HCBWXUDHZGFVPM-HNNXBMFYSA-N 357.475 4.432 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccco1 13708420 WHIGPKMERMCWFD-OAHLLOKOSA-N 355.459 4.250 0 40 FIAB CN(C)c1cccc(-c2nn3c(-c4ccc(F)c(Cl)c4)nnc3s2)c1 13724086 LIGDCYXPEZGJTE-UHFFFAOYSA-N 373.844 4.378 0 40 FIAB O=C(CSc1ccc(F)cc1)Nc1cc2c(cc1Cl)OCCCO2 14137102 PQPGPVDTBPURKS-UHFFFAOYSA-N 367.829 4.371 0 40 FIAB Cc1ccccc1C(=O)NCCC(=O)NC(c1ccccc1)c1ccccc1 15583084 XXZDQWBZPUEABS-UHFFFAOYSA-N 372.468 4.021 0 40 FIAB COc1ccccc1CCNC(=O)Cc1sc(C)nc1-c1cccs1 15840092 SYXBEQBNFNLOAS-UHFFFAOYSA-N 372.515 4.090 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)/N=c2/[nH]c3c(C)cc(C)cc3s2)c1 17075785 ACOVAQCXMVYUEF-UHFFFAOYSA-N 369.515 4.079 0 40 FIAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(CC(C)C)C1 19236808 GWFOARLPBFFKPW-SIKLNZKXSA-N 365.521 4.229 0 40 FIAB CC(C)c1nccn1[C@H](C)C(=O)N1CCC[C@H](COc2ccccc2F)C1 19454281 MCZBVYQAHYZVBH-SJORKVTESA-N 373.472 4.024 0 40 FIAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1C 21869346 WHPSLEALYCQZMB-SFHVURJKSA-N 358.869 4.350 0 40 FIAB Cc1cc(C)c(Nc2nc(=O)c(Cc3ccc(Cl)cc3)n[nH]2)c(C)c1 22409232 MUUMXYSDAHNUGQ-UHFFFAOYSA-N 354.841 4.078 0 40 FIAB COc1ccc(NC(=O)CSCCOc2cccc(C)c2)cc1Cl 23412421 MMSQRTSMVIQGGZ-UHFFFAOYSA-N 365.882 4.408 0 40 FIAB CCCc1noc(CSc2nc3ccccc3c(=O)n2C2CCCC2)n1 29551183 MWNOOXJMPJSMEU-UHFFFAOYSA-N 370.478 4.139 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1C 32487866 VJEWRLSPNWJMEK-CQSZACIVSA-N 351.368 4.406 0 40 FIAB COc1ccccc1NC(=O)c1sc(Cc2ccc(F)cc2)nc1C 32643461 QFYCJEBKBXYXSI-UHFFFAOYSA-N 356.422 4.442 0 40 FIAB CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 32772708 WKIQYXWKPJDCCG-MRXNPFEDSA-N 367.474 4.457 0 40 FIAB Nc1c(-c2nc(-c3cccc(Cl)c3)cs2)nnn1-c1ccc(F)cc1 38486683 WRSVDYIUXZOZRY-UHFFFAOYSA-N 371.828 4.433 0 40 FIAB Cc1cc2ncn(CC3CCN(C(=O)/C=C/c4ccco4)CC3)c2cc1C 38534564 ZFDRQLADTJSSKF-AATRIKPKSA-N 363.461 4.198 0 40 FIAB O=C(O)c1cn(-c2cccc(F)c2)c2c1N=C(O)C[C@H]2c1ccsc1 44901183 NOJSYDMVQUAAKJ-ZDUSSCGKSA-N 356.378 4.500 0 40 FIAB COc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1OC1CCCC1 45077101 AEKKYQKTXPFQPV-UHFFFAOYSA-N 351.406 4.145 0 40 FIAB CN(Cc1cccc(O)c1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 47507939 LQBCWMFRIOIXRS-UHFFFAOYSA-N 367.371 4.141 0 40 FIAB C[C@H]1CCCC[C@H]1OCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 48237303 FYCYQQRHCFJUHJ-HTAPYJJXSA-N 370.537 4.139 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364443 COGCOKQVRALUCQ-GOSISDBHSA-N 358.441 4.462 0 40 FIAB Cc1nc(CSc2nc(-c3ccccc3Br)n[nH]2)oc1C 63416074 ZTAUAPGWJDECEN-UHFFFAOYSA-N 365.256 4.131 0 40 FIAB Cc1cc(C)cc(-c2nnc(Cc3nc(-c4cccc(F)c4)no3)o2)c1 65185466 JJGCHODQMIJDCL-UHFFFAOYSA-N 350.353 4.133 0 40 FIAB CCn1c(CN(C)C(=O)Nc2cccc3cccnc23)nc2ccccc21 65547567 WPUALQBRQMWOIK-UHFFFAOYSA-N 359.433 4.268 0 40 FIAB CN(C)c1ccc(C(=O)Nc2ccc(Sc3nncs3)cc2)cc1F 65567097 WNLXJWOHVZNNFB-UHFFFAOYSA-N 374.466 4.147 0 40 FIAB COc1ncccc1NC(=O)c1oc2ccc(Br)cc2c1C 77825238 CZAHFEGTNMQYJL-UHFFFAOYSA-N 361.195 4.160 0 40 FIAB Cc1ccc(-c2noc([C@H](C)N3CC[C@H](Nc4ccccc4)C3)n2)cc1F 84185371 XBIMOBQCOAJXSD-YJBOKZPZSA-N 366.440 4.432 0 40 FIAB Cn1c(SCc2c(Cl)ccc3cccnc23)nc2ccccc2c1=O 84297884 FGORKOPMNLIMQV-UHFFFAOYSA-N 367.861 4.427 0 40 FIAB C[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1nc2ccccc2s1 89901231 YBKUPWORWTVECD-CQSZACIVSA-N 362.458 4.016 0 40 FIAB O=C(O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 90635777 KTLSGYCNUNMYAW-UHFFFAOYSA-N 374.824 4.114 0 40 FIAB COc1ccc(Cc2nc3nccc(-c4ccc(SC)cc4)n3n2)cc1 95476563 BPYIWIQPTMBAST-UHFFFAOYSA-N 362.458 4.113 0 40 FIAB Cc1ccc(CN2C[C@H](OCc3nc4cc(C)c(C)cc4[nH]3)[C@H](F)C2)cc1 96112346 NVMQPGHLMRKACL-NQIIRXRSSA-N 367.468 4.227 0 40 FIAB biogenic,in-vitro COc1ccc(Cl)cc1C(=O)NCc1cccc(Oc2ccccn2)c1 96382453 QIUQLZPMKQCRQN-UHFFFAOYSA-N 368.820 4.466 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3Cl)cc2)n1 148158097 BEXCAXFDFMKMGQ-UHFFFAOYSA-N 353.853 4.132 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSc1ccc(C)cc1 216429947 VZRQIHDTZHAEEY-IBGZPJMESA-N 359.491 4.070 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1C 219289401 MODWBVBOWORESA-AEFFLSMTSA-N 353.462 4.489 0 40 FIAB CCc1cc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1OC 223494727 UZPGVCZNXUCZKY-MRXNPFEDSA-N 361.507 4.222 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1cc(C)ccc1C 224025322 UOXRMJBKINLZOK-LJQANCHMSA-N 355.478 4.273 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 224467773 BRAUSUSJXZYIOW-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(F)c(F)c2)c(I)c1 225020390 FLSOYYROHOCSEG-UHFFFAOYSA-N 373.140 4.130 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2ccccc2C)c1 225129702 KLURZKIYGFWHAS-SFHVURJKSA-N 355.478 4.389 0 40 FIAB CCCC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NC1CCCCC1 225378404 JXNBXUNUZJFDFW-HXUWFJFHSA-N 358.526 4.085 0 40 FIAB CCOc1cccc(NC(=S)NCCCc2ccccc2OCC)c1 225397072 AAEKUVMPQMDPPY-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225799600 CXMBQKPAGHBKKW-VBKZILBWSA-N 365.470 4.184 0 40 FIAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCCC)cc1C(=O)OC 225841949 FRPIVTQWEOYQQJ-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB Nc1nc2c(Br)cc(NC(=O)c3ccccc3F)cc2s1 226310491 QVXIYWMPFJUADP-UHFFFAOYSA-N 366.215 4.032 0 40 FIAB CC[C@@]1(C)C[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 256050945 HDQQRGWHJUCZND-FCHUYYIVSA-N 365.429 4.169 0 40 FIAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2Br)c1 1889125251 UFAUGVXOVUFNKF-SJPCQFCGSA-N 360.299 4.322 0 40 FIAB COc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 11523996 IABRANYFDUKDDA-UHFFFAOYSA-N 353.447 4.157 0 40 FIAB CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCCc2ccccc21 29257063 PFOOLYLJRVGDAV-RBBKRZOGSA-N 365.473 4.394 0 40 FIAB S=C(NCc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 1327043 YAHDEGZXDZMQJQ-UHFFFAOYSA-N 351.475 4.082 0 40 FIAB CC[C@@H](Sc1nc(C)c(Cc2ccccc2)[nH]1)C(=O)Nc1cc(C)on1 32511578 QWGCNMOBUDBRTH-MRXNPFEDSA-N 370.478 4.115 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1 3260343 ZDSQDNKRBFWKRB-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 3510405 XTCBDDUWXHQFSE-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(NC2CCCCC2)s1 6267904 QCNWARXQTLXZBM-GXTWGEPZSA-N 368.572 4.070 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 7643911 NGZRMVVHAWWLPW-UHFFFAOYSA-N 351.233 4.386 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 10684126 LOROTRWFTCICQV-MRXNPFEDSA-N 368.477 4.356 0 40 FIAB COc1ccccc1NC(=O)Nc1nc(SCc2ccccc2)ns1 2640246 JPBYGTLVTVYRMQ-UHFFFAOYSA-N 372.475 4.483 0 40 FIAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccncc4)nc32)c(C)c1 21801743 FUIJWUXCRLOOLX-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB CC(C)OC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 103282589 CRWGNBZGOGKMLL-TZIWHRDSSA-N 351.446 4.118 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nc(CN2CCCCC2)cs1 22238215 IRZFDSICEFDOQV-UHFFFAOYSA-N 365.886 4.043 0 40 FIAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(C(C)=O)cc1 956547 GOHBTIDLXMBUSF-UHFFFAOYSA-N 352.365 4.497 0 40 FIAB COc1ccccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 23229282 VPINUTPOKYLKJN-UHFFFAOYSA-N 353.418 4.009 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1cn2cc(Cl)ccc2n1 24452927 DPJGCYBTGUJJQH-NSHDSACASA-N 365.216 4.152 0 40 FIAB O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccccn1 24833224 MJIGXLQLRDOWII-FQEVSTJZSA-N 352.821 4.020 0 40 FIAB Cc1nc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n(CC(C)C)c1C 12547476 LYAVGUJPSJDNTA-AWEZNQCLSA-N 356.495 4.246 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(-c2cccs2)no1 58007526 TUWJPOURXCHSPT-UHFFFAOYSA-N 353.369 4.449 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20992971 GLWZTVYLHASEDI-QMMMGPOBSA-N 363.792 4.212 0 40 FIAB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc2ncccc2c1 2109945 YMHSMJWKJFOGIK-CYNGKWMKSA-N 369.468 4.262 0 40 FIAB biogenic O=C(c1ccccc1Br)N(Cc1cccnc1)Cc1ccco1 12537391 BYWNTCJKYYJHSL-UHFFFAOYSA-N 371.234 4.280 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(NC2CCCCC2)s1 3245930 PHUDFVPBVZEDLO-STQMWFEESA-N 368.572 4.164 0 40 FIAB CC(C)CN1CCC(NC(=O)N(C)[C@H](C)c2cc3ccccc3o2)CC1 45462375 YEYUWVGLDXDVBT-MRXNPFEDSA-N 357.498 4.256 0 40 FIAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1F 28791180 NPADBCRXTOJHRA-UHFFFAOYSA-N 363.410 4.058 0 40 FIAB Cc1ccccc1-c1nnc2c3cnn(-c4cc(Cl)ccc4C)c3ncn12 2436188 GTSTZKXSKJVPMV-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Nc1c(-c2ccccc2)c(Cc2ccccc2)nn1-c1ccc(C(=O)O)cc1 17087067 QNELVZMESDBGTP-UHFFFAOYSA-N 369.424 4.411 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 12616605 ZGGFIIILPPAVGZ-CYBMUJFWSA-N 370.446 4.269 0 40 FIAB CC(C)(C)c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 48374586 PAVCMDMZHJLSOX-UHFFFAOYSA-N 350.831 4.363 0 40 FIAB O=C(COC(=O)c1cnn(-c2ccccc2)c1)c1ccc2ccccc2c1 12862188 FXAMQOMDZNNBQQ-UHFFFAOYSA-N 356.381 4.065 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1F 12932222 GNHIUXPVIRFPRY-CSKARUKUSA-N 366.436 4.025 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2)cc1 12910680 UJNDJOLDELECBW-LAUBAEHRSA-N 352.478 4.100 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1cc2c(s1)-c1ccccc1CC2 13011484 DDHCRVUPOYXNIF-UHFFFAOYSA-N 353.472 4.495 0 40 FIAB CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc3[nH]ccc3c2)CC1 13690192 DSWMGDJVLGDBRV-UHFFFAOYSA-N 371.481 4.438 0 40 FIAB O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 6114804 APGRIEGEIQROJG-UHFFFAOYSA-N 365.410 4.040 0 40 FIAB COc1c(C)cnc(CNC(=O)c2cc3c(ccc4ccccc43)[nH]2)c1C 65164621 RAPUKCIXKVAPFX-UHFFFAOYSA-N 359.429 4.272 0 40 FIAB Nn1c(SCc2ccccc2)nnc1-c1cc(Cl)ccc1Cl 5245465 FGDKCWHDHVXTKI-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 5235073 KUMKEZTXFXCUGF-OAHLLOKOSA-N 361.507 4.422 0 40 FIAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2cccc(C(F)(F)F)c2)C1=O 6334310 TWASJFFJZFMHEP-HNNXBMFYSA-N 362.351 4.066 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)n[nH]2)c(O)c1 5343021 FQRIEJJBAZVGST-UHFFFAOYSA-N 368.393 4.092 0 40 FIAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc4c(c2)OCO4)N3)C1 4545436 ZNEANPQVODSFCL-BMLIUANNSA-N 356.447 4.421 0 40 FIAB O=C(CNc1ccccc1)Nc1ncc(Cc2cccc(Cl)c2)s1 4513367 HQOGYGXHKLIARB-UHFFFAOYSA-N 357.866 4.438 0 40 FIAB Cc1csc(=O)n1CCCC(=O)Nc1cccc(Oc2ccccc2)c1 14230702 DTDQWCLDIKLXPW-UHFFFAOYSA-N 368.458 4.429 0 40 FIAB c1ccc(CNc2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)cc1 306136545 PWIKDUWJYCDKQN-GOSISDBHSA-N 361.493 4.073 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nc(-c2ccccn2)cs1 14688938 ASBLKGDUEXPMOB-LLVKDONJSA-N 359.838 4.265 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc(F)ccc3F)c12 14898708 GQMITIDDKISEPV-UHFFFAOYSA-N 368.343 4.067 0 40 FIAB CC(C)[C@H](C(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 6939743 ZFYWQROJOKSYDZ-LPHOPBHVSA-N 359.853 4.036 0 40 FIAB Cc1ccc(F)c(NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 67252848 YESPMMULIYLYAE-QGZVFWFLSA-N 350.340 4.018 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 7052651 UZMBWDQIZXEVFO-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB COc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)cc(OC)c1OC 15624581 WDOMDOVPACLJCV-UHFFFAOYSA-N 371.364 4.364 0 40 FIAB Cc1ccc(OCc2nnc(SCCOc3ccccc3)n2C)c(C)c1 7341845 CBBKUIWIFFZTOS-UHFFFAOYSA-N 369.490 4.182 0 40 FIAB CN(C)[C@H](CNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 7637266 MASGOVICBCENKJ-MRXNPFEDSA-N 351.878 4.068 0 40 FIAB NC(=O)c1ccc(CSc2nc(C(F)(F)F)nc3ccccc23)cc1 16132890 SOWWFPPYEIHIQG-UHFFFAOYSA-N 363.364 4.040 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(CN2CCOCC2)c1 20041861 DTSJVMJMLHSISG-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB COc1ccc2nc(SCC(=O)C34CC5CC(CC(C5)C3)C4)[nH]c2c1 9146182 FOOFKCYPBFCUIF-UHFFFAOYSA-N 356.491 4.449 0 40 FIAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1cc2ccccc2o1 9183926 SUVCPLFLFBYLIJ-UHFFFAOYSA-N 353.765 4.066 0 40 FIAB O=C(Nc1nccs1)c1ccccc1Cc1cc2ccccc2c(=O)o1 9304761 QFQQBRFXDLAEDG-UHFFFAOYSA-N 362.410 4.093 0 40 FIAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1cccnc1 71821668 OJKZKVJLANEIEK-JTQLQIEISA-N 361.268 4.483 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1C 20143809 NIPSEEDLQYTPTJ-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB C[C@@H](C(=O)NCc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1 98073275 LYYAJWOQZKOEJO-MRXNPFEDSA-N 361.416 4.477 0 40 FIAB C[C@@]1(NC(=O)CCc2nc(C3CCCC3)no2)CCCc2ccccc21 95966529 MYUHRSGBKQYQKL-OAQYLSRUSA-N 353.466 4.028 0 40 FIAB COC(=O)c1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 13687449 VZNJGMQMUBAAGS-UHFFFAOYSA-N 361.397 4.305 0 40 FIAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(OC)c1OC 409120794 UEUQMCRHKYIHPL-YVLHZVERSA-N 367.445 4.256 0 40 FIAB CCOC(=O)c1oc2cc(NC(=O)c3ccc(OC)cc3)ccc2c1C 9659898 HBEZMUJSKPFCPT-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic CCOc1cc(-c2nnc(N)o2)ccc1OCc1ccc(F)cc1Cl 216823411 LVDNEZPGYREFHF-UHFFFAOYSA-N 363.776 4.089 0 40 FIAB O=C(C1CCCC1)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 32809454 YZBCKBRQGQWOQC-UHFFFAOYSA-N 372.509 4.389 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3cc(C)ccc3C)s2)cc1 225593552 NMZMDZGEJMOJLW-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1 222829470 FHCHGAJHGOJQDG-MRXNPFEDSA-N 372.896 4.174 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(C(F)(F)F)cc2)cc1 224601341 LQQUFDYGJPLUJE-UHFFFAOYSA-N 373.396 4.319 0 40 FIAB O=C(NCCCc1ccccc1Cl)C1(c2ccccc2)CCOCC1 223364594 JYEJGKLDPCLSBM-UHFFFAOYSA-N 357.881 4.137 0 40 FIAB CN(Cc1cccc(O)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 524973291 RZLMNKHIGUDXLD-JKSUJKDBSA-N 365.351 4.053 0 40 FIAB O=C(c1cc(Cl)cc(Cl)c1)c1cccc(CN2CCOCC2)c1 43211038 FZGLHAPAVNMDIN-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222757504 QHXAZAQXPYKXLL-INIZCTEOSA-N 372.896 4.030 0 40 FIAB O=C1OC[C@@H]2CCN(Cc3ccc(Cl)cc3)Cc3ccc(F)cc3N12 225486371 CUIFTBIMJKFRNR-KRWDZBQOSA-N 360.816 4.210 0 40 FIAB biogenic,in-vitro O=C(c1snnc1-c1cccs1)N1CCC(Cc2ccccc2)CC1 225789613 QETJEZXTTGEDRC-UHFFFAOYSA-N 369.515 4.362 0 40 FIAB Cc1cccc(-c2nnc3sc(NC(=O)CCC4CCCC4)nn23)c1 41076438 GOUGZKKXAXRLCY-UHFFFAOYSA-N 355.467 4.070 0 40 FIAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 224590338 FIYAVGRBOLLEEI-IRXDYDNUSA-N 353.472 4.026 0 40 FIAB CC(C)COc1c(I)cc(C(C)(C)C)cc1C=O 225276745 ZVTNGECTWFAHIK-UHFFFAOYSA-N 360.235 4.436 0 40 FIAB Cc1noc(C)c1-c1cccc(C(=O)NCc2c(F)cccc2Cl)n1 257301709 RZNTVMSNRVXKLK-UHFFFAOYSA-N 359.788 4.076 0 40 FIAB Cc1nccc(N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257225249 FFLGMFUUKXOWMY-KRWDZBQOSA-N 354.841 4.359 0 40 FIAB C[C@@H](CC(=O)N1CCCc2cccnc21)c1ccc(Br)cc1 653971059 LFKSLCFLTVKNIT-ZDUSSCGKSA-N 359.267 4.317 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 58412438 QIADBNRTUYAKAR-LLVKDONJSA-N 367.474 4.149 0 40 FIAB CNC(=O)O[C@H]1CCC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 5082904 MTSKCWQNZUQOHN-RTWAWAEBSA-N 352.478 4.356 0 40 FIAB c1ccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2ccco2)cc1 5886837 TVOGZTQWQBWBSN-UHFFFAOYSA-N 373.441 4.467 0 40 FIAB CN(C(=O)C1(c2ccccc2)CC1)c1nc2c(s1)CCc1occc1-2 12181828 MAVFHFRLYSPDPO-UHFFFAOYSA-N 350.443 4.196 0 40 FIAB CC[C@H]1Oc2ccc(C(=O)c3ccco3)cc2N(Cc2ccccc2)C1=O 12242006 DYPVZKYRJPMXQY-GOSISDBHSA-N 361.397 4.215 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 12409370 FJBOKJCYXODOJB-ZDUSSCGKSA-N 364.474 4.085 0 40 FIAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)C12CC3CC(CC(C3)C1)C2 12794233 RCEIBRFYKIUOIQ-ABROSTTOSA-N 361.869 4.253 0 40 FIAB Cc1cccc(CCNc2ncc(-c3cnccn3)c(-c3ccoc3C)n2)c1 13227596 GMRIPQSJVYFPFR-UHFFFAOYSA-N 371.444 4.465 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C(=O)O 13349090 OXGSTAVAQAUACO-UHFFFAOYSA-N 367.426 4.161 0 40 FIAB CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628744 QYHOWVAAZGTDDM-UHFFFAOYSA-N 369.490 4.069 0 40 FIAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCCC1 19570915 LSOJKVAMOGVHHC-IBGZPJMESA-N 367.493 4.014 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)O)o3)c2C)cc1 226353283 ZXRUUGLSHIVRQX-UHFFFAOYSA-N 371.414 4.062 0 40 FIAB CC(C)c1nc2ccccc2n1C1CN(C(=O)C2CCC(F)(F)CC2)C1 1888863674 QFFDNDGHCKPHDM-UHFFFAOYSA-N 361.436 4.369 0 40 FIAB CCOc1ccc(O[C@H](C)c2nnc(-c3c(C)nn(CC)c3C)o2)cc1 1117179933 XLRODIYZRLASQR-CQSZACIVSA-N 356.426 4.109 0 40 FIAB CCc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1 2723643 RNRIXSCSDSNPMP-UHFFFAOYSA-N 355.438 4.305 0 40 FIAB Cc1cccc(CC(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137484 JJANWTJQZQAGEE-UHFFFAOYSA-N 354.450 4.159 0 40 FIAB O=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 5256115 KVCSKSVYTSOGBM-FQEVSTJZSA-N 365.864 4.456 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3)ccc21 8959105 FSZMHPOASYSMRO-UHFFFAOYSA-N 366.461 4.347 0 40 FIAB Cc1cc(=O)n2c(-c3cccc(NC(=O)CC4CCCC4)c3)csc2n1 11768205 XRDRRJYKHCDDGZ-UHFFFAOYSA-N 367.474 4.250 0 40 FIAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2)o1 15881430 QMVIOKJHUDOWQP-UHFFFAOYSA-N 360.417 4.283 0 40 FIAB CN(C)[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccs1 22759644 IFUPFSMTSNQAMZ-FQEVSTJZSA-N 364.514 4.377 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1ccccc1C(F)(F)F 1775965400 HQTJIUUTYWJNAD-CYBMUJFWSA-N 365.307 4.022 0 40 FIAB COc1ccccc1OCC(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 211078910 JREKWCGUHLTUCS-KRWDZBQOSA-N 357.425 4.009 0 40 FIAB CCCc1nnc(NC(=O)COc2ccc(Oc3ccccc3)cc2)s1 10413213 ITIINPZWJSHBBY-UHFFFAOYSA-N 369.446 4.300 0 40 FIAB O=C(CSc1ccccc1)Nc1cc(N2CCCC2=O)ccc1Cl 40090711 MTTHKVVRPHQKEP-UHFFFAOYSA-N 360.866 4.198 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1C 40115143 MBCKUIGLRWNBIY-UHFFFAOYSA-N 368.433 4.262 0 40 FIAB Cc1ccn2cc(C(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)nc2c1 31317416 KWXJGVOUSGCKBK-UHFFFAOYSA-N 373.378 4.466 0 40 FIAB COc1cc(OC)c([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1OC 627840 BSUOZDSHNLJPFY-NRFANRHFSA-N 365.433 4.165 0 40 FIAB O=C(CCC1CCCC1)NC1CCC(NC(=O)CCC2CCCC2)CC1 671745 RIKOILDDEYZKCV-UHFFFAOYSA-N 362.558 4.471 0 40 FIAB CC(C)CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccccc1 850728 RYCLNNRJHLFXOK-CYBMUJFWSA-N 353.513 4.004 0 40 FIAB O=C(O)C1[C@@H](c2ccccc2)C(C(=O)Oc2ccccc2)[C@@H]1c1ccccc1 885223 IWZLOIAVWMAQKN-JTVPBKEVSA-N 372.420 4.490 0 40 FIAB Cc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 944959 HFDYZXIRQYYDPC-UHFFFAOYSA-N 359.175 4.083 0 40 FIAB COc1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1 3235230 MBRCMXJKAVILMR-UHFFFAOYSA-N 370.408 4.436 0 40 FIAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C(Cl)(Cl)Cl 4064190 ZHYGXCQPDDPFCM-UHFFFAOYSA-N 356.596 4.199 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)CC3CCCC3)cs2)cc1OC 4167121 PEGZASPCMHQUFC-UHFFFAOYSA-N 374.506 4.066 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3Cl)C2)cc1OC 4194568 GLAAWRHYKDWRGZ-KRWDZBQOSA-N 358.825 4.055 0 40 FIAB COc1ccc(SCC(=O)NCc2ccc(Cl)cc2Cl)cc1 5243430 DVZQFAPGGBHXDA-UHFFFAOYSA-N 356.274 4.411 0 40 FIAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 5868596 ZLXGTHRIWCIUBU-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6537719 BKUXDUXKCWEFET-NRFANRHFSA-N 355.441 4.206 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(F)cc1F)C3 6569881 UXPNNFAFJOIQCG-UHFFFAOYSA-N 357.356 4.380 0 40 FIAB COc1ccccc1-c1noc(COC(=O)c2oc3ccccc3c2C)n1 7047451 RETPDYLMBOXQIJ-UHFFFAOYSA-N 364.357 4.157 0 40 FIAB CN(C(=O)c1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 7319170 IJLWDWWSCGQPIB-UHFFFAOYSA-N 353.491 4.283 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2F)nnc1-c1ccoc1C 8728870 AZTVFMZSAOPLDL-GFCCVEGCSA-N 374.441 4.125 0 40 FIAB Cc1nc(-c2cccs2)ccc1C(=O)NCCCN(C)c1ccccc1 9314991 AOBVXQZNKJIFRX-UHFFFAOYSA-N 365.502 4.375 0 40 FIAB Cc1ccc(OCCNC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 9368676 CUEINZCOQJDBAI-UHFFFAOYSA-N 353.466 4.186 0 40 FIAB Cc1cccc(CSCCNS(=O)(=O)Cc2ccc(Cl)cc2)c1 9694935 PQXVVZSNPWGZQY-UHFFFAOYSA-N 369.939 4.001 0 40 FIAB O=C(O)c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1 10118795 LTVQBGFBCOACAL-WSDLNYQXSA-N 354.793 4.422 0 40 FIAB Cc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2)ccc1N1CCCC1=O 10186250 RNZNHFHIKIUKEY-AWEZNQCLSA-N 371.868 4.214 0 40 FIAB C[C@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCO1 11282401 JOGIARLRIQXUGE-HNNXBMFYSA-N 366.436 4.154 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 11360789 LTRZXAYNIPENLY-UHFFFAOYSA-N 362.385 4.134 0 40 FIAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1ccc2ccc(F)cc21 12321269 VRZJUQNNHLBIQS-OAHLLOKOSA-N 363.436 4.399 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)C1(c2ccc(Cl)cc2)CCC1 12544676 IIYPBYFMHKDDRQ-UHFFFAOYSA-N 367.880 4.236 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 13758789 WVABFNXIPMDRAJ-TUNNFDKTSA-N 371.427 4.473 0 40 FIAB Cc1cc(C)cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 15589823 MKERRYSEMWRYLD-LJQANCHMSA-N 351.446 4.442 0 40 FIAB COc1ccc(CNC(=O)N(C)Cc2ccc3ccccc3c2)cc1OC 17068993 IDJXWUUNYZKHAV-UHFFFAOYSA-N 364.445 4.199 0 40 FIAB CC(C)C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 18090979 OVDKXAYZBJZYCK-HXUWFJFHSA-N 350.462 4.331 0 40 FIAB Cc1ccc([C@H](Cc2ccsc2)NCc2cnc3ccccc3n2)nc1 19215643 NOOSXXZBJQHFOU-NRFANRHFSA-N 360.486 4.468 0 40 FIAB Clc1cccc(-c2n[nH]c3c2CN(Cc2ccc4c(c2)OCO4)CC3)c1 19293487 OCUCOOVOPDIFTN-UHFFFAOYSA-N 367.836 4.017 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN1[C@H](c2cccs2)N2CCC31CC2 19563305 MBVTUVHXRQMZSK-HXUWFJFHSA-N 365.502 4.100 0 40 FIAB Cn1cnc2ccc(NC(=O)c3cc(-c4ccccc4Cl)no3)cc21 19716738 LQLCFBMJDNZNGM-UHFFFAOYSA-N 352.781 4.134 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20048570 DHEOWJBTQZPHQC-PXNSSMCTSA-N 371.477 4.053 0 40 FIAB c1cc2c(cc1[C@@H]1O[C@@H]3CCCC[C@H]3c3cc4c(cc31)OCO4)OCO2 20436592 WDHGTNCMVJMBMN-QSZISKGPSA-N 352.386 4.290 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCCSC2CCCCC2)cc1 20460251 AKGGLQVBGYXMTB-CQSZACIVSA-N 353.553 4.358 0 40 FIAB COc1ccc(SCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 20492098 UPUDZSGJDSBYFQ-UHFFFAOYSA-N 373.518 4.324 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C 20492729 KCJVFXNJIVQYID-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c(C)c1 20612071 QBIMLUYLSFWCGO-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(F)cc2)c2ccccc2)cc1 22530717 QATXKPJRNNKMKZ-NRFANRHFSA-N 369.461 4.343 0 40 FIAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccc(F)c(F)c1 23548537 ZCFXFJOXHWGWIB-ZDUSSCGKSA-N 357.400 4.294 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCCOC1CCCCC1 24481537 XEKXPUPUFXYBLE-UHFFFAOYSA-N 373.472 4.097 0 40 FIAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 27793111 DNQBOPKQVGXJSG-OAQYLSRUSA-N 366.505 4.351 0 40 FIAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1cccc2cccnc12 27974893 FBOHVOUGNRYMLA-GFCCVEGCSA-N 371.234 4.403 0 40 FIAB COc1ccc([C@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)cc1 31430141 LCJBLLVQLVLEMH-GCJKJVERSA-N 367.445 4.150 0 40 FIAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc(F)c(F)c3)n[nH]2)o1 31802062 ZVADWQLBUZWLEM-FNORWQNLSA-N 361.373 4.130 0 40 FIAB Cc1c(C(=O)Nc2cccc(OC(F)(F)F)c2)oc2c1C(=O)CCC2 32915839 PNZWEEQDBZOJIF-UHFFFAOYSA-N 353.296 4.258 0 40 FIAB O=C(Cc1ccccc1F)NCc1cccnc1Oc1cccc(F)c1 32924746 IUTUWNYDYJGYOK-UHFFFAOYSA-N 354.356 4.011 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Cl)C2=O)cc1 38203131 TXXOINUUHXLDQO-YBEGLDIGSA-N 374.849 4.455 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 44515841 AQGKLFHMQJFRNE-GDBMZVCRSA-N 356.853 4.197 0 40 FIAB CC1(C)N=C(c2ccc(F)cc2)C(=S)N1C(=O)c1cccc(Cl)c1 45933265 SJCOOTHGGGHWCV-UHFFFAOYSA-N 360.841 4.488 0 40 FIAB CCOC(=O)Nc1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 47947603 VRGFQTNOPFRRAU-UHFFFAOYSA-N 353.422 4.108 0 40 FIAB COc1ccccc1-c1n[nH]c(NC(=O)c2cc(Cl)sc2Cl)n1 52778748 LDYATSDTQGKJGJ-UHFFFAOYSA-N 369.233 4.101 0 40 FIAB O=S1(=O)CC[C@H](N(Cc2cccs2)Cc2cccc3ccccc23)C1 53102565 LZEFLGLTDLMPNI-SFHVURJKSA-N 371.527 4.091 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN([C@@H](C)C(=O)Nc2nccs2)CC1 53743691 UCFKMAAXRKBFRD-AWEZNQCLSA-N 368.506 4.139 0 40 FIAB COc1ccc(C)cc1C1(CNc2ncnc3sccc23)CCOCC1 57149872 PGUSMWPPKIOSQI-UHFFFAOYSA-N 369.490 4.169 0 40 FIAB O=C1COc2ccc(Cl)cc2CN1Cc1ccc(C(F)(F)F)cc1 65184390 QNJZLBBIAMMDGS-UHFFFAOYSA-N 355.743 4.280 0 40 FIAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 67210405 SJEFRNKYNQEGNJ-OTWHNJEPSA-N 359.828 4.183 0 40 FIAB COc1cc(OC)c(NC(=S)Nc2cc(F)cc(F)c2)cc1Cl 71761094 JWDIARSNCNDDSL-UHFFFAOYSA-N 358.797 4.444 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3cc(C)oc3C)n2)cc1 72265239 YLJDTGNFLGNREE-UHFFFAOYSA-N 356.447 4.001 0 40 FIAB Fc1ccc(CN2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 72377409 RDAYYTAVUGXJGW-KRWDZBQOSA-N 363.440 4.134 0 40 FIAB O=C(c1c(F)cccc1F)N(CCc1cccs1)Cc1cccnc1 75154740 IAAFQMUJASSKDI-UHFFFAOYSA-N 358.413 4.306 0 40 FIAB COc1ccc(Cl)cc1NC(=O)N1CC(c2nc3ccc(C)cc3[nH]2)C1 77099567 MILFEWXRTUAXJK-UHFFFAOYSA-N 370.840 4.165 0 40 FIAB COc1ccc2c(c1)N(C(=O)c1oc(-c3ccccc3)nc1C)C[C@@H](C)O2 81463834 MZFUYIOPRDUYNJ-CYBMUJFWSA-N 364.401 4.086 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)[C@H]1CCCN(C2CCC2)C1 95469084 DRDXYSTUTPLKGV-HIFRSBDPSA-N 373.522 4.094 0 40 FIAB COc1cccc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)c1 96192617 HJSJORBTKKGWBW-UHFFFAOYSA-N 368.481 4.241 0 40 FIAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1Cc1ccc(Br)cc1 106725597 XOKSFYGWNLSMHE-JYRVWZFOSA-N 363.236 4.014 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 109032626 PMFUBIXVSYKVSG-LSTDLKDCSA-N 369.509 4.177 0 40 FIAB COc1ccccc1[C@@H](C)CC(=O)NC[C@@H](O)c1ccc2ccccc2c1 109689642 QUEZHVFGRVTPTB-HRAATJIYSA-N 363.457 4.192 0 40 FIAB Cc1c(C(=O)NCC(C)(C)N2CCCCC2)n(C)c2ccc(Cl)cc12 141595618 QDAQSRWRCCKCAO-UHFFFAOYSA-N 361.917 4.134 0 40 FIAB Cc1cc(CN(C(=O)c2ccc3nc(Cl)n(C)c3c2)C(C)C)c(C)n1C 222561766 MJPDDYAJBZAJGC-UHFFFAOYSA-N 372.900 4.233 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223227255 XSNLRZJZERYTQT-DNVCBOLYSA-N 353.462 4.219 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)s1 223630385 BFFWREWIZNGVHC-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cc(C)ccc1C 224024874 LZMDSURMZBIEDI-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1CSc1ccc(C)cc1 224668656 ADWWJIDATIIVTO-MRXNPFEDSA-N 373.518 4.451 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1Cl 225638942 YPIWGANFFSXICF-TYILLQQXSA-N 369.889 4.288 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)[C@@H](Br)CBr 382730572 UGYONKUBFUGNBW-QMMMGPOBSA-N 359.967 4.047 0 40 FIAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)n1 585182577 YDPXJHBKIJJNOK-GOSISDBHSA-N 372.476 4.036 0 40 FIAB Cc1cnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCCCC2)s1 1565524586 LOYKGSOABIGMJQ-UHFFFAOYSA-N 369.490 4.139 0 40 FIAB CCCSCc1nnc2sc(-c3ccccc3Br)nn12 1772491425 OUHALBMYZZWBHN-UHFFFAOYSA-N 369.313 4.259 0 40 FIAB Cc1ccc(C)c(/C=C2/N=C(c3cccc(Br)c3)OC2=O)c1 826629 QRDNDHNBKAATQH-MHWRWJLKSA-N 356.219 4.410 0 40 FIAB Cc1ccc(N[C@@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c(C)c1 860621 WFTLSOZHUALAAC-HNNXBMFYSA-N 372.683 4.237 0 40 FIAB COc1ccc2c(c1)O[C@@H](c1cc(Cl)cc3c1OCOC3)[C@H](C)C2=O 940974 JQPMWDLFVQEUQQ-MLCYQJTMSA-N 360.793 4.168 0 40 FIAB COc1cc2nc(SCc3ccc4ccccc4n3)[nH]c2cc1OC 1483942 SJCPYZFOXMYAAB-UHFFFAOYSA-N 351.431 4.421 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@@H](C)[C@@H](C)C3=O 1640481 DOQZDHYXBAJGFY-NEPJUHHUSA-N 370.445 4.449 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cnc(Cl)c(Cl)c1 2631154 BAEBHCZLDKZFOU-UHFFFAOYSA-N 368.216 4.347 0 40 FIAB FC(F)c1cc(C(F)F)n2nc(-c3nnc(-c4ccccc4)o3)cc2n1 2803441 UTDRCHUTXPZYML-UHFFFAOYSA-N 363.274 4.322 0 40 FIAB CCCCCCOc1ccc(C(=O)N2C(=O)C(=O)c3ccccc32)cc1 3042557 FAVVEUAFACOKMQ-UHFFFAOYSA-N 351.402 4.015 0 40 FIAB CCc1cccc(OCCSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 3445422 ZWWCTXROLNPULI-UHFFFAOYSA-N 370.430 4.199 0 40 FIAB Cc1cc(C(=O)COC(=O)c2c(F)cccc2F)c(C)n1Cc1ccco1 3542571 VXPXFBDAJMIIEM-UHFFFAOYSA-N 373.355 4.064 0 40 FIAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3cccc(F)c3)c2n1 3765479 RNDYQESODFGXKD-UHFFFAOYSA-N 361.420 4.375 0 40 FIAB CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC[C@@H](O)CO 4411083 RVNAQNUKCZKJCP-PMACEKPBSA-N 374.562 4.115 0 40 FIAB biogenic CC(=O)Nc1ccc2nc(NC(=O)CSc3ccc(C)cc3)sc2c1 4496444 QLSVHIAGGSYQCD-UHFFFAOYSA-N 371.487 4.294 0 40 FIAB CCSc1ccccc1C(=O)Nc1nnc(-c2cccc(OC)c2)o1 4585711 GIVOWVMBVGABEM-UHFFFAOYSA-N 355.419 4.110 0 40 FIAB COc1ccc2nc3sc(C(=O)N4CCCCCC4)c(N)c3cc2c1 4848789 XAYPHLQWSDQKCZ-UHFFFAOYSA-N 355.463 4.057 0 40 FIAB O=C1N/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccccc1 5773732 GXKLKRGFMPYHRT-QNGOZBTKSA-N 370.408 4.363 0 40 FIAB CCCCOC(=O)CSc1nnc(Nc2ccccc2OCC)s1 6026212 MYNQXHPHTZMNBL-UHFFFAOYSA-N 367.496 4.116 0 40 FIAB Cc1ccc(F)cc1NC(=O)Cn1ccc2cc(Br)ccc21 6966865 QQVPSBJPKYPXNZ-UHFFFAOYSA-N 361.214 4.490 0 40 FIAB Cc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 8102790 RFOCDFMFNUQJGB-MRXNPFEDSA-N 366.486 4.390 0 40 FIAB CCOc1ccc2nc(SCc3nc(-c4ccsc4)no3)[nH]c2c1 8458212 CMSBFMKIMXVXHU-UHFFFAOYSA-N 358.448 4.365 0 40 FIAB COc1ccc(C(=O)OCc2cc3ccc(C)c(C)c3nc2Cl)cn1 8515531 IEMJJMLHHQTPBT-UHFFFAOYSA-N 356.809 4.266 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1 8706850 ZNGVHSBTVAGIPR-UHFFFAOYSA-N 361.430 4.332 0 40 FIAB O=C1C[C@@H](c2cccs2)Cc2nc(NC3Cc4ccccc4C3)ncc21 10494415 SKDYELZQUNFPPJ-HNNXBMFYSA-N 361.470 4.030 0 40 FIAB Cc1cc(C)cc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c1 12414744 ZGKGJABTVGFYBO-UHFFFAOYSA-N 360.461 4.102 0 40 FIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)[C@@H]1COc2ccccc2O1 12535759 KXMWZVVRQMHPMY-FQEVSTJZSA-N 371.396 4.008 0 40 FIAB CC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 12554134 KJKSZRCCYQREHU-UHFFFAOYSA-N 351.374 4.491 0 40 FIAB NC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 12786912 CALPZCQYVBKTGI-UHFFFAOYSA-N 374.318 4.317 0 40 FIAB Cc1ccc(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)c(C)c1 12871619 ZFSLLWROPNWXCS-UHFFFAOYSA-N 356.447 4.024 0 40 FIAB CC(C)Nc1nn(CN(C)Cc2c(F)cccc2Cl)c(=S)s1 13072617 PKGFJVGWEJBHGS-UHFFFAOYSA-N 360.911 4.376 0 40 FIAB CCCc1cc(-c2nc(C)c(C(=O)NCc3ccccc3)s2)ccn1 13722448 UOCPWSJXKQCCJD-UHFFFAOYSA-N 351.475 4.396 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1nc2ccccc2s1 14257415 COGGVKUWXXLEOH-UHFFFAOYSA-N 368.443 4.077 0 40 FIAB O=C1CC[C@@]2(C(=O)Nc3cccc4c3CCCC4)Sc3ccccc3N12 14700662 MHDKOMKRCLGEHZ-NRFANRHFSA-N 364.470 4.133 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 16086480 NQPBGHNQLCDZCZ-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 17075688 ITJBRBAFMQUCPG-UHFFFAOYSA-N 369.273 4.443 0 40 FIAB CC(C)n1cc(CN2CCC(CC(=O)NCC3CC3)CC2)c2ccccc21 19748511 IPBUGSALBHVGLY-UHFFFAOYSA-N 367.537 4.351 0 40 FIAB CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2ccc(F)cc12 20381032 QLWUQJSXZRLDHZ-UHFFFAOYSA-N 358.438 4.053 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(=O)O)c1 20478794 CJZNRFDWDQMIDY-UHFFFAOYSA-N 356.230 4.422 0 40 FIAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)NCc2ccccc2)c(C)c1 21977515 XWOZBUSMZWKISD-KRWDZBQOSA-N 365.502 4.286 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1C 22994244 XBPZXDKYKGNGPN-UHFFFAOYSA-N 362.429 4.370 0 40 FIAB Cc1ccc(N(Cc2ccccc2)C(=O)CCNC(=O)c2ccccc2)cc1 24991937 YRYRZEKUJUTZOH-UHFFFAOYSA-N 372.468 4.348 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1F 25214155 CZWZXNKXZKNLMK-NSHDSACASA-N 356.319 4.472 0 40 FIAB O=C(NC[C@H]1CCCO1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 27395957 XJRJIMYLJCJWNO-QGZVFWFLSA-N 365.351 4.407 0 40 FIAB Cc1cnc2c(S(=O)(=O)N[C@H](c3cccs3)C(C)C)cccc2c1 29345852 SNRWLFPAWIZNSF-KRWDZBQOSA-N 360.504 4.280 0 40 FIAB Cc1ccccc1NCCC(=O)N(C)Cc1nc2ccccc2n1C(F)F 29823895 XFCCWEQQGONSCM-UHFFFAOYSA-N 372.419 4.200 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 30754804 OTEZIDXHEVCPAU-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 30854364 RIQGFXUVCRUULN-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30864115 SVOMGQNVWBSVPE-MAUKXSAKSA-N 357.450 4.047 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CN2CCCCCC2=O)cc1 31295823 RQIGYWOZJWZPBH-UHFFFAOYSA-N 352.434 4.128 0 40 FIAB COc1ccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)cc1OC 32090390 QKJPUUUUSUNYRI-UHFFFAOYSA-N 356.809 4.400 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC=C(c2ccccc2)CC1 32780831 RRAVMFNWORBUNC-QHCPKHFHSA-N 372.468 4.267 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@@H](O)c2ccc(Cl)cc2)c(OC)c1 32906828 BUCVHRHBRHOFOU-RTBURBONSA-N 361.869 4.228 0 40 FIAB CN(C)[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1cccs1 32970902 JSBYCXWWGIDRGW-SFHVURJKSA-N 368.502 4.360 0 40 FIAB O=C(Nc1cccc(CNC(=O)c2ccc(F)cc2Cl)c1)c1ccco1 33102032 SZYXJLOYAXFQBU-UHFFFAOYSA-N 372.783 4.254 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1N1CCCC1=O 34867734 GPPFNYTYIYGSMD-FUHIMQAGSA-N 372.509 4.229 0 40 FIAB Cc1ccc(CN(C)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 40103441 SGMWBOQDUNVUMT-UHFFFAOYSA-N 373.884 4.149 0 40 FIAB CCCc1ccccc1NC(=O)NCCc1cc(F)cc2c1OCOC2 40120244 NEEFNECCURLRPV-UHFFFAOYSA-N 358.413 4.009 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2)ccc1Cl 41008028 DLYXKCDYPMZOQV-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB O=C(NCCCc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 44909266 DGPBYONSBOJPCP-UHFFFAOYSA-N 370.924 4.301 0 40 FIAB O=C(NCc1ccco1)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907777 QLAYZVRMYKOISB-UHFFFAOYSA-N 354.431 4.123 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc4c5c(cccc35)CC4)CC2=O)c1 57351165 SNHFEGCCWXSUQQ-SFHVURJKSA-N 370.452 4.238 0 40 FIAB CC[C@@H]1CCc2nc(NC(=O)c3cnn(CC)c3C(F)(F)F)sc2C1 58226786 LBMNVHDXLMUBNJ-SECBINFHSA-N 372.416 4.146 0 40 FIAB C[C@H](O)c1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 58431394 UXGGGYPSIMWKIT-AWEZNQCLSA-N 370.449 4.017 0 40 FIAB COC(=O)/C(=C\Nc1ccc(C)cc1)S(=O)(=O)c1ccc(C(C)C)cc1 67340551 GKTDYTIMRYEGKS-CPNJWEJPSA-N 373.474 4.019 0 40 FIAB Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 72377055 YLCLXJYJGKWDDW-SFHVURJKSA-N 368.456 4.109 0 40 FIAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@@H]2CCCCN2C(=O)C(C)C)n1 72383677 LROYLVBCVIKKNR-HNNXBMFYSA-N 373.526 4.312 0 40 FIAB Oc1cc(C2CCN(CC3CCCCC3)CC2)nc(-c2ccncc2)n1 72392689 HXHZPECTZIIQFX-UHFFFAOYSA-N 352.482 4.004 0 40 FIAB O=C(NC[C@H]1CCCO1)N[C@H](CCCc1ccccc1)c1ccccc1 75572177 SUJVDMIOVGHLDG-NHCUHLMSSA-N 352.478 4.229 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc2[nH]ccc12 79501975 RRRUEDUZGOSGEW-UHFFFAOYSA-N 366.808 4.443 0 40 FIAB CCc1nnc(COC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1 83834294 NDYGKGZSUFOUTC-UHFFFAOYSA-N 360.454 4.290 0 40 FIAB Cc1noc(C)c1[C@H](C)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C 84023028 LBGULTCZUBGGLN-XXFAHNHDSA-N 370.280 4.078 0 40 FIAB Cc1cn(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c2ccccc12 84257620 QLNKWPMYZUGTJV-IRLDBZIGSA-N 366.436 4.125 0 40 FIAB O=C(N1CCC(Oc2ccccn2)CC1)C1(c2cccs2)CCCC1 85556921 FIDPBRAMOOWXQU-UHFFFAOYSA-N 356.491 4.025 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N(CCc1cccs1)Cc1ccoc1 90612446 PWJMMTTZILFLEW-UHFFFAOYSA-N 370.430 4.347 0 40 FIAB CCONC(=O)Cn1c(-c2cccc(Cl)c2Cl)nc2ccccc21 95369485 ZIRLNEZTSYHPQS-UHFFFAOYSA-N 364.232 4.078 0 40 FIAB CC(C)(C)[C@H]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CCO1 95450725 PFGJXLHOKXEUTO-GOEBONIOSA-N 361.873 4.054 0 40 FIAB CO[C@@H]1CCN(c2ccc(NC(=O)CCc3ccc(SC)cc3)cc2)C1 96122251 ZMAPDAAETPJDTN-LJQANCHMSA-N 370.518 4.205 0 40 FIAB C[C@H](O)c1sc(Br)c(Br)c1Br 96525484 CGGLETXAIAXSOO-REOHCLBHSA-N 364.884 4.089 0 40 FIAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 98087007 FWPONBLLNRWWPD-DHDCSXOGSA-N 373.817 4.275 0 40 FIAB O=C(c1ccc2nsnc2c1)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166536 UIXUHVJDAMZMNA-IRXDYDNUSA-N 367.449 4.381 0 40 FIAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1C 101277107 PQSZCCVINNFDQO-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB CC(C)(C)c1nnc(NC(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)s1 147813903 SAFHQVNIRRKCIO-CABCVRRESA-N 374.510 4.125 0 40 FIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(CC)c1C 222960032 LUMWNAAYRKZFKM-RBUKOAKNSA-N 356.539 4.292 0 40 FIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1C 224284532 FYRMAUCAUWALGS-WOJBJXKFSA-N 362.502 4.214 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCC(C)C)s1 224724023 QCLOVKXIFWALKT-LBPRGKRZSA-N 365.524 4.255 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)ccc1F 224888083 UBODJCNOZZHLJV-MSOLQXFVSA-N 353.422 4.299 0 40 FIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cn2ccnc2)cc1 224895623 NRFDQJGGJJAYAR-UHFFFAOYSA-N 361.323 4.082 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1 224959510 DMUNNOQTDRZQDE-UHFFFAOYSA-N 364.898 4.272 0 40 FIAB Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c(C)c1 225455900 HFMBDJIHEPVXPW-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 225570575 CREZWNLUCKCABF-UHFFFAOYSA-N 357.425 4.301 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225618485 ZGAMDFUJBBDHKQ-NRFANRHFSA-N 362.514 4.085 0 40 FIAB ClC1=C(Cl)[C@]2(Cl)[C@@H]3C[C@@H]4O[C@@H]4[C@@H]3[C@@]1(Cl)C2(Cl)Cl 256006974 VMNNMBZKONGDDQ-DPSYREKSSA-N 354.875 4.235 0 40 FIAB Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCCN2Cc2ccccc2F)n1 257319523 VSXQVKMJXQJSNB-GOSISDBHSA-N 351.429 4.041 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(C)c4c[nH]nc4c3)cc2F)n1 501750937 YWBXBNATJUGBFA-UHFFFAOYSA-N 363.396 4.065 0 40 FIAB C[C@H](Sc1nccn1Cc1ccccc1)C(=O)c1c[nH]c2ncccc12 502095500 GYNJXAYBTUWWFH-AWEZNQCLSA-N 362.458 4.171 0 40 FIAB C[C@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(Oc2cccnc2)cc1 566002218 CPULIVOAHLZLJY-AWEZNQCLSA-N 358.401 4.241 0 40 FIAB CC(=O)N1CCC[C@H](NCCc2ccccc2C)[C@@H]1Cc1cccc(C)c1 585285611 LIRWTQNEGSLQKX-ZEQRLZLVSA-N 364.533 4.058 0 40 FIAB CCc1nc([C@@H]2CCCCN2C(=O)c2oc3c(F)cccc3c2C)no1 606227949 TUYMTVYFTMQWTK-AWEZNQCLSA-N 357.385 4.193 0 40 FIAB CN(C[C@H]1C[C@@H](O)C1)C(=O)Nc1ccc(Cl)cc1OCc1ccccc1 626577521 FHTVDIFSZDPDFW-WOVMCDHWSA-N 374.868 4.154 0 40 FIAB C[C@H]1CN(C(=O)c2csc(C(F)(F)F)n2)CCc2ccc(F)cc21 650906925 SCKGJINRXAGOKM-VIFPVBQESA-N 358.360 4.103 0 40 FIAB CC(C)(C)c1csc([C@H]2CN(C(=O)c3cc4ccccc4o3)CCO2)n1 669903292 WWJOOIIWXOAWOE-MRXNPFEDSA-N 370.474 4.401 0 40 FIAB C[C@H]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@H](c2ccco2)C1 676164106 AAMFVWLLWQQFFS-GUYCJALGSA-N 352.434 4.123 0 40 FIAB CN(Cc1cc(F)cc(F)c1)C(=O)NCC1(C(F)(F)F)CCCC1 1328827470 HNECIBNIUAPIAT-UHFFFAOYSA-N 350.331 4.229 0 40 FIAB C[C@H]1CCCCN1C(=O)CSc1nc(C(C)(C)C)nc2ccccc12 1342468 HHRBBEGSHDKEDT-AWEZNQCLSA-N 357.523 4.420 0 40 FIAB Cc1ccccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578664 DYRIXKTZDUENLU-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB Cc1cc(C(=O)N2N=C3CCCCC[C@@H]3[C@]2(O)C(F)(F)F)ccc1Cl 4200072 PKIHNEBJDSCOFE-LRDDRELGSA-N 374.790 4.291 0 40 FIAB O=C(COCc1cc(-c2ccco2)on1)Nc1cccc(Cl)c1Cl 6876682 LZGQRRDIPXLKBG-UHFFFAOYSA-N 367.188 4.397 0 40 FIAB CC(C)(C)C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F 2721529 WEDBMQMXDGRHNO-UHFFFAOYSA-N 367.468 4.319 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1ccc(OCc2ccccc2)cc1 8180831 RAERQPGVADNLTQ-UHFFFAOYSA-N 351.377 4.422 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCC(C)C 8498275 MMYLDWXYAPIGIZ-GOSISDBHSA-N 372.440 4.008 0 40 FIAB Cc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccccc3O)CC2=Nc2ncnn21 102600919 ORCRHUHORQBNJY-QKKBWIMNSA-N 372.428 4.357 0 40 FIAB Cc1ccccc1CN1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 23638556 UCKNMLUDYBFITO-UHFFFAOYSA-N 363.288 4.260 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(C)no1)CC2 23873081 HVXDBOBODYUSCU-QFIPXVFZSA-N 364.445 4.148 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)c1cc2ccccc2cc1OC 20491875 ANTQYNZBJCLIAU-IBGZPJMESA-N 354.494 4.233 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1 20496124 SOSUVMYYKDXKPE-NYYWCZLTSA-N 355.781 4.051 0 40 FIAB COc1cccc(Nc2nnc(S[C@H]3Cc4ccccc4[C@@H]3O)s2)c1 12566978 GFTYDNGXSOUZTH-HOTGVXAUSA-N 371.487 4.041 0 40 FIAB COc1ccc(-c2nc(C[S@@](=O)c3cccc(OC)c3)cs2)cc1 108064197 CNSYFAODYZVLOW-DEOSSOPVSA-N 359.472 4.135 0 40 FIAB CCn1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(=O)c2ccccc21 22606014 LHCBTBUQMIYNPM-QGZVFWFLSA-N 362.473 4.438 0 40 FIAB COc1ccccc1C(=O)Nc1nc2ccccc2n1Cc1ccccc1 27923202 JHAZMLDEJJRGAM-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccccc3)CC1)O2 170550252 QVEWKAQKFZRFBT-UHFFFAOYSA-N 350.418 4.027 0 40 FIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1csc(-c2ccsc2)n1 25185046 MDYJRXIFKTVENC-UHFFFAOYSA-N 368.439 4.393 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1cccc(OC)c1)c1ccccc1Cl 27580403 KJZITPZPIUPOON-IBGZPJMESA-N 360.885 4.162 0 40 FIAB biogenic Clc1ccc(-c2nnc(CN(Cc3ccco3)C[C@H]3CCCO3)o2)cc1 58180169 UHRFXMMIQLUWRW-QGZVFWFLSA-N 373.840 4.164 0 40 FIAB C[C@H](SCc1ccc(Br)cc1)C(=O)Nc1cccnc1 12606830 VXHVMOZYTGIBGP-NSHDSACASA-N 351.269 4.105 0 40 FIAB CCOc1ccc(C2=CSC3=NNC(c4ccc(OC)cc4)=CN23)cc1 2271735 MGTUHSXKDUXIBE-UHFFFAOYSA-N 365.458 4.314 0 40 FIAB CN(C)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 28296097 WNHZSBKZLOWWEK-GOSISDBHSA-N 369.852 4.028 0 40 FIAB CCc1ccc(-c2nnc3c4cnn(-c5ccc(C)cc5C)c4ncn23)cc1 2343172 XJZDEMFAFNGOIJ-UHFFFAOYSA-N 368.444 4.309 0 40 FIAB Cc1ccc(C)c(-c2nn(C[C@H](O)c3ccccc3)c(=O)c3ccccc23)c1 12739850 WMBVJOWJWRYMLB-QFIPXVFZSA-N 370.452 4.414 0 40 FIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCOc3ccccc32)s1 48236525 OGLXOWLPUBRVBA-UHFFFAOYSA-N 368.433 4.226 0 40 FIAB CCCOc1cc(C)ccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 48290773 NLRUEWZZYKDHIO-UHFFFAOYSA-N 353.397 4.361 0 40 FIAB Cc1occc1-c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)o1 8427880 PRZSUGLVIOVZQT-UHFFFAOYSA-N 364.810 4.355 0 40 FIAB COc1ccc(-c2cc3ncnc(NC4CCC(O)CC4)c3s2)cc1 12885879 UJQTVVGWUVFORQ-UHFFFAOYSA-N 355.463 4.082 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 69535546 VMQOIPHDDHPCDD-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB CCc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 12993386 OPVYFAQHNHIZSV-UHFFFAOYSA-N 352.463 4.117 0 40 FIAB CC(C)Cc1nc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cs1 64408617 LGJORDVBTVNMIU-GJZGRUSLSA-N 373.522 4.208 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)CCC(=O)c1cccs1 5078753 IIPTTXAJWWRPPF-UHFFFAOYSA-N 359.447 4.016 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)c3ccc(OC)cc3)n2)cc1 5180140 NWYOXOGFDBAIJH-ZDUSSCGKSA-N 367.474 4.406 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)c1 4317838 PANOOWYIWFPNDH-UHFFFAOYSA-N 355.397 4.151 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 14023222 FHUSDAPOALNMMQ-IBGZPJMESA-N 358.438 4.330 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@@H]3O[C@@]32C(C)=O)C1 4544273 YRLVTBXOGJMZNC-JPGLCELGSA-N 372.505 4.217 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCc2ccc(C(F)(F)F)cc2)c1 6587917 NIKXMEGCZPQURG-UHFFFAOYSA-N 351.368 4.060 0 40 FIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)ccc1Cl 8726622 DSYWEHKYMWARPA-UHFFFAOYSA-N 361.228 4.449 0 40 FIAB CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 5602531 LWRMNQJOPVSRNW-UHFFFAOYSA-N 357.834 4.283 0 40 FIAB COc1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)cc1 6746015 UBQDVDXLVBGDIJ-UHFFFAOYSA-N 365.477 4.110 0 40 FIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc(F)c(F)c1 7778169 ZDKPCPQMHQWCBP-QPJJXVBHSA-N 370.273 4.423 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 8140009 LCZMPKAQCICHHV-UHFFFAOYSA-N 367.880 4.103 0 40 FIAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 20453032 RWMWASXJVUNSRH-GOSISDBHSA-N 355.478 4.137 0 40 FIAB CSCC[C@H](NC(=O)CCCc1ccccc1)c1nc2ccccc2[nH]1 78349388 UETBLSHVSYABTA-IBGZPJMESA-N 367.518 4.496 0 40 FIAB CCO[C@@H]1C[C@H](N[C@@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 95466884 WJYFAQYBMUXADQ-TUKIKUTGSA-N 366.552 4.181 0 40 FIAB CCOc1ccc(CNc2ccc(NC(C)=O)cc2C(F)(F)F)nc1 79074853 SLWCWXSAFYCEHS-UHFFFAOYSA-N 353.344 4.070 0 40 FIAB COc1cccc(-c2nc(CN3CCOc4ccccc43)cs2)c1OC 60857013 RKJSUOVIJJDADF-UHFFFAOYSA-N 368.458 4.226 0 40 FIAB O=C(C1CCC(c2ccccc2)CC1)N1CCC(OC[C@@H]2CCOC2)CC1 541468420 IFGACRCDAVKVCI-KMFTYDHNSA-N 371.521 4.005 0 40 FIAB O=C(Nc1ccc(F)cc1F)C1CCN(c2nc3ccccc3s2)CC1 35290299 RWEUXYGTPBDTKO-UHFFFAOYSA-N 373.428 4.430 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1Cl 32192155 RJKCWKZZROXVCU-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 36635799 JWSYTIUGALOTTP-CQSZACIVSA-N 369.635 4.391 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225821533 JGPGWABKBYGBNV-XOBRGWDASA-N 365.470 4.184 0 40 FIAB CCCCO[C@@H](C)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 48354834 VATPJVVAFYUWQG-ZDUSSCGKSA-N 358.463 4.378 0 40 FIAB COc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1C 223058840 HPRQNYPYQWFRNF-UHFFFAOYSA-N 363.910 4.498 0 40 FIAB CCOc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1 225429493 GKNFESVSBIVGBK-UHFFFAOYSA-N 365.296 4.334 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)c1OC 49545627 YSKNFDKVPWILKC-INIZCTEOSA-N 363.417 4.072 0 40 FIAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cccs2)cc1C(C)C 223373360 KCNQOVOZXVHACO-CYBMUJFWSA-N 353.509 4.228 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 222822091 RHUOCUZJJXBPSY-MSOLQXFVSA-N 367.489 4.225 0 40 FIAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C 223484217 NRVUHBHQWDJYBP-FQEVSTJZSA-N 370.468 4.078 0 40 FIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225622647 YBISHAYBQRPIMI-NRFANRHFSA-N 364.530 4.331 0 40 FIAB COc1ccc(NC(=S)NCCSC2CCCCC2)c(OC)c1 225356880 UVGYICVPEQALDH-UHFFFAOYSA-N 354.541 4.056 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccccc1Cl)CC(C)(C)O2 225440454 UUZXMNVXWSGQLI-KRWDZBQOSA-N 359.853 4.310 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1 225654698 QCJHMVBIGMWFOH-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 239339100 LRRQUJXTVKRTKX-XEMDLRDOSA-N 352.478 4.013 0 40 FIAB CSc1ccc([C@H](O)CNC(=O)C2(c3cccs3)CCCC2)cc1 96103124 CQZREUBHAKLIFQ-MRXNPFEDSA-N 361.532 4.132 0 40 FIAB CC(C)(F)CNS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 1664840769 QLSBHTNUWWLGFV-UHFFFAOYSA-N 357.834 4.159 0 40 FIAB CC[C@@](O)(C(=O)N(C)Cc1cc(Cl)ccc1F)c1cccc(Cl)c1 1328665912 LDSPXNCXUQWCEN-SFHVURJKSA-N 370.251 4.389 0 40 FIAB CCc1ccc(/N=C/c2ccc(OCC(=O)O)c(Br)c2)cc1 8084612 HPRQDEOPGBNJBJ-VXLYETTFSA-N 362.223 4.226 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684874 VMJVNVRYYFFUIS-INIZCTEOSA-N 370.518 4.477 0 40 FIAB O=C(NCc1ccco1)c1ccccc1NC(=S)Nc1ccccc1 14003287 ACBWCWHAYRUVBU-UHFFFAOYSA-N 351.431 4.019 0 40 FIAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)CC3CCCC3)CC2)C1 19590846 PJLFYPWSKNLCDY-UHFFFAOYSA-N 370.537 4.231 0 40 FIAB CCC[C@H](NC(=O)N1C[C@H](C)[C@](C)(CO)C1)c1cccc(C(F)(F)F)c1 663936328 RRNWVAHAEAXLFF-OWQGQXMQSA-N 372.431 4.207 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)c1cnn2c(-c3cccs3)ccnc12 32940444 SGOMLFINDQUKPO-ZDUSSCGKSA-N 360.442 4.049 0 40 FIAB Cc1c(C(=O)C(=O)N2c3ccc(F)cc3CC[C@H]2C)c2ccccc2n1C 4062591 YQIPTDQYKBLKLW-CYBMUJFWSA-N 364.420 4.176 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Cc3cccc4ccccc34)o2)cc1 4276098 OVZRUSQUBSVEMQ-UHFFFAOYSA-N 359.385 4.080 0 40 FIAB CCCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2)oc2ccccc12 4267324 WLHPCNRDJFQUCD-UHFFFAOYSA-N 352.390 4.432 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1 5270590 FUOGISUNAFXBEJ-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB Cn1cccc1CN(Cc1cccs1)C(=O)NCCCc1ccccc1 49026687 GHJQWZSENHBSAU-UHFFFAOYSA-N 367.518 4.431 0 40 FIAB CC(C)CC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40128621 OMCBLIXAWMQXFX-QGZVFWFLSA-N 373.518 4.215 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)C(F)(F)c1ccccc1 40115151 WRRCETXJHAJJDS-UHFFFAOYSA-N 353.752 4.232 0 40 FIAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)C(C)C)oc12 100676464 BKVOUCJERLZDPM-UHFFFAOYSA-N 365.385 4.092 0 40 FIAB Cc1ccc(N2C(=O)C[C@H]([C@@H]3CCCC=C3N3CCCCC3)C2=O)cc1 101120732 PHLHBPIOWMXUBQ-RBUKOAKNSA-N 352.478 4.044 0 40 FIAB CCc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 812056 VNYZNWKAAYQRKW-UHFFFAOYSA-N 364.401 4.355 0 40 FIAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 959587 ODJZYBZKGZEBGR-SDNWHVSQSA-N 361.397 4.044 0 40 FIAB CCOC(=O)c1cnc(SC)nc1Nc1cccc(Cl)c1Cl 1644827 WOKHIKJWYAIOES-UHFFFAOYSA-N 358.250 4.426 0 40 FIAB Clc1ccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)cc1Cl 2414023 IHXHRRMHEFBBAK-UHFFFAOYSA-N 371.187 4.030 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 2729641 GWLURMXHUPKOCL-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB COc1ccc(-c2cc(C(F)(F)F)nc(N3CCC(C)CC3)n2)cc1 3894512 OGBKQNWQHYUHIZ-UHFFFAOYSA-N 351.372 4.407 0 40 FIAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)N(C)c2ccccc2)cc1 4835911 DRZOJYIKYCEWJK-OAHLLOKOSA-N 366.490 4.028 0 40 FIAB C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)NC1CC1 5102527 YQHKLAYMQDZDKP-CQSZACIVSA-N 370.522 4.074 0 40 FIAB Cn1c(-c2c(N)n(C3CC3)c3nc4ccccc4nc23)nc2ccccc21 5206986 XMTGVDYKCFQPGV-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)C12CC3CC(CC(C3)C1)C2 5254670 PLTSXWJSGHXZAU-OPCFLAAUSA-N 370.445 4.091 0 40 FIAB CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc(F)cc2F)s1 6604129 SECYCAWUOYPQFD-UHFFFAOYSA-N 356.419 4.184 0 40 FIAB O=C(O)c1ccc(CSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 6883221 WSDJDDKETXKECX-UHFFFAOYSA-N 368.380 4.365 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 6905571 XIEONCMZYBHWRW-UHFFFAOYSA-N 358.488 4.376 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(-n2cccc2)c1 7358337 DYBIXJFCLYZWTK-UHFFFAOYSA-N 362.429 4.396 0 40 FIAB CC(C)C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 7440336 WUKNRERURBAHFD-LJQANCHMSA-N 365.429 4.075 0 40 FIAB Cn1cc(C(=O)c2cc(F)ccc2O)cc1-c1nc2ccccc2s1 7719364 CBNODROYFINNIC-UHFFFAOYSA-N 352.390 4.378 0 40 FIAB C[C@@H](SC(=S)N(C)C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 7979829 VRQMDQOJUIGSPV-RKDXNWHRSA-N 365.351 4.139 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 7986259 ZHOAQXJGMCMWTG-GFCCVEGCSA-N 369.408 4.234 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2n1CCCCC2 8038032 BJQFMTPTOADBFH-CYBMUJFWSA-N 354.479 4.158 0 40 FIAB COc1cccc(NC(=O)Nc2cnn(Cc3ccccc3Cl)c2)c1 8168027 GUXZJSZBEFKWFD-UHFFFAOYSA-N 356.813 4.237 0 40 FIAB CCc1cc2c(SCC(=O)c3cc(OC)ccc3OC)ncnc2s1 8278652 GWJPQHQRXXGTNZ-UHFFFAOYSA-N 374.487 4.246 0 40 FIAB Fc1ccc(-c2cnc(CSc3nnc(-c4cccnc4)o3)o2)cc1 8940581 PXUVRBUZGQCHRM-UHFFFAOYSA-N 354.366 4.218 0 40 FIAB COc1cc(C)c(NC(=O)c2sc(-c3ccccn3)nc2C)cc1OC 8942985 HZNKPBKDKPIVCL-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB Cc1ccc(Cl)c(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1 9154972 PWARMTSJJZCSSM-KRWDZBQOSA-N 369.852 4.267 0 40 FIAB COc1ccccc1NC(=O)CSCC(=O)c1c(C)[nH]c2ccccc12 9341492 ZKZKBPSFTLUNMF-UHFFFAOYSA-N 368.458 4.040 0 40 FIAB O=C1C[C@H](c2ccc(Br)cc2)c2c(-c3ccccc3)n[nH]c2N1 9546548 DQYCHAUIFCSIKN-CQSZACIVSA-N 368.234 4.313 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1 10684239 DFFXJUBOHLKZCH-JXFKEZNVSA-N 368.477 4.319 0 40 FIAB O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccccc1Cl 12480950 DDNZZZOPARXLEL-AYHJJNSGSA-N 354.881 4.265 0 40 FIAB CSCC[C@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 12540032 XQQBRABLSOBDIS-INIZCTEOSA-N 361.417 4.065 0 40 FIAB CC(=O)c1cccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 12776659 QXDRFOHPPRWRMS-UHFFFAOYSA-N 366.442 4.485 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(OC(F)F)cc1 12889356 JUFJYKADYFIWOF-UHFFFAOYSA-N 359.372 4.378 0 40 FIAB O=C(COc1ccc(Br)cc1)N1CC=C(c2ccccc2)CC1 12943111 IKEWQUHAGOGECN-UHFFFAOYSA-N 372.262 4.144 0 40 FIAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)CC(C)(C)C3 13638362 OGJDFXZLSWGSMA-UHFFFAOYSA-N 369.852 4.351 0 40 FIAB CCc1ccc(-c2noc(CSc3nnc(-c4ccncc4)o3)n2)cc1 14137729 IRYRCIZXFLXOAH-UHFFFAOYSA-N 365.418 4.036 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)CC)cc1 17248085 PFZLSHQXHCTHSR-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB Cc1cccc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 19234400 NDGNASUYZBPCDZ-UHFFFAOYSA-N 353.447 4.126 0 40 FIAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2C)c1 19234733 FFNGBQDTGRSMIQ-NRFANRHFSA-N 374.488 4.385 0 40 FIAB COc1cccc([C@H](NC(=O)Cc2sc(C)nc2C)c2ccccc2)c1 19560487 AKFRBSXSMMLOCZ-OAQYLSRUSA-N 366.486 4.217 0 40 FIAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2CC2CC2)cc1 19694470 KZEMFLYGZIFXGB-HXUWFJFHSA-N 366.509 4.155 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 20038086 JQFXAGUBBKUOLA-OAQYLSRUSA-N 355.453 4.464 0 40 FIAB O=C(CSCc1ccc(Cl)cc1)NCc1ccc(-n2ccnc2)cc1 20493360 MYXZVBLKEWLYLC-UHFFFAOYSA-N 371.893 4.075 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)c(OC)c1 22365411 FRWXWVADFGPQJA-UHFFFAOYSA-N 358.419 4.289 0 40 FIAB CC(=O)Nc1ccc(F)c(NC(=O)c2occc2COc2ccccc2)c1 23003583 KJDPCCDNVQIMAS-UHFFFAOYSA-N 368.364 4.208 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)CN1C(=O)NC2(CCCCCC2)C1=O 23383922 WKEABTOYUOOSOM-UHFFFAOYSA-N 371.525 4.018 0 40 FIAB O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1Cc1ccccc1 27935376 OOENVBGZKMFTPE-UHFFFAOYSA-N 361.397 4.024 0 40 FIAB Cc1cccc(OCc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)o2)c1 28236836 PATAVCSDDQRDOD-UHFFFAOYSA-N 365.385 4.191 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COc1cccc(NC(=O)C2CC2)c1 32814673 ZWOVACDIAMPOMB-UHFFFAOYSA-N 358.825 4.014 0 40 FIAB O=C(Cn1c(SC(F)F)nc2ccccc21)N[C@@H]1CCc2ccccc21 32843587 TWZZZDSIHKOXHE-CQSZACIVSA-N 373.428 4.155 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(NC(=O)C2CCCCC2)c1 32913918 MFPMRDQWMGGBSB-UHFFFAOYSA-N 362.433 4.334 0 40 FIAB O=C(O)c1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2s1 34776344 ZVPPQCPUDQIBMR-UHFFFAOYSA-N 367.835 4.054 0 40 FIAB COc1ccc([C@@H]2CCCCCN2Cc2nc3ccsc3c(=O)[nH]2)cc1 35399943 MZHVEWCBWWNJKQ-KRWDZBQOSA-N 369.490 4.111 0 40 FIAB COc1ccccc1-c1nnc(C2CCN(C(=O)C3CCCC3)CC2)s1 35597002 SXHVJYRMBXJELK-UHFFFAOYSA-N 371.506 4.110 0 40 FIAB COc1cccc(N(Cc2ccccc2F)S(=O)(=O)c2ccccc2)c1 36246196 CVWAEIBULCLNFO-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccc(F)cc1 36246546 IOAWIWODUIDJAV-UHFFFAOYSA-N 359.397 4.360 0 40 FIAB COc1ccc(CN(C(=O)c2cc(F)c(F)cc2Cl)C2CC2)cc1 39980617 ZEBMZMSCUDWXFW-UHFFFAOYSA-N 351.780 4.432 0 40 FIAB CNC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 40088924 JJCOXULZPHIZAX-UHFFFAOYSA-N 357.413 4.261 0 40 FIAB O=C(c1ccc(CSc2nccc(C(F)(F)F)n2)cc1)N1CCCC1 41909516 TWWGUACOBVRWED-UHFFFAOYSA-N 367.396 4.024 0 40 FIAB Cc1cccc2c(=O)[nH]c(CSc3nc4cc(Cl)ccc4n3C)nc12 48355580 KHIUPVVDAZSEBX-UHFFFAOYSA-N 370.865 4.064 0 40 FIAB CC(=O)Nc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)ccc1F 54114679 WZJGWWZPWFEBJN-MRXNPFEDSA-N 368.330 4.208 0 40 FIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1nnc(-c2ccccc2Cl)s1 58195017 KPWZCZPHQLQRLT-QMMMGPOBSA-N 362.842 4.206 0 40 FIAB CCCc1nnc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)s1 61997181 FDSZFZWJUJPRLG-UHFFFAOYSA-N 372.450 4.185 0 40 FIAB FC(F)(F)c1ccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)cc1 65185347 FLWQBALOQUVWIR-UHFFFAOYSA-N 372.306 4.396 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3ccccc3n2)CC1 72270812 HWZXRYWZMJEHGK-UHFFFAOYSA-N 366.852 4.242 0 40 FIAB COC(=O)c1ccc(-c2ccc(C(=O)NCc3cccs3)cc2)cc1 72272649 QWOGKKUXNFUPHO-UHFFFAOYSA-N 351.427 4.132 0 40 FIAB Cc1nc(Cl)ccc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 84028785 UIGJMIVVWDLKOL-CYBMUJFWSA-N 355.825 4.204 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCO[C@@H](C)C3)cc2)nc1 95458240 OZLDIXGHGUPOKQ-HOTGVXAUSA-N 355.438 4.119 0 40 FIAB CCN(CCC1CCN(Cc2nc(-c3ccsc3)no2)CC1)CC1CC1 95458277 SGDWOCPBGGJWHI-UHFFFAOYSA-N 374.554 4.132 0 40 FIAB CO[C@H]1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)C1 96122224 ZRXSQLUEBHZTNK-HNNXBMFYSA-N 364.367 4.183 0 40 FIAB COc1ccc(-c2noc([C@@H](C)NCc3ccc(F)cc3)c2C(=O)O)cc1 96296888 KHQJAWCTHKPREL-GFCCVEGCSA-N 370.380 4.038 0 40 FIAB biogenic,in-vitro Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 100424812 FSFPNTJCKHFHHB-VXKWHMMOSA-N 366.480 4.450 0 40 FIAB Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c1C 188485559 VNCZWZPJQZMHQX-HNAYVOBHSA-N 363.461 4.483 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 219520413 MZYPLUHSARQFCE-LPHOPBHVSA-N 371.477 4.355 0 40 FIAB COc1ccc(CSCC(=O)NCc2cccc3ccccc23)cc1 222828853 ISGJEHOBZIYNFT-UHFFFAOYSA-N 351.471 4.398 0 40 FIAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1OC 222912755 SBDBITBYBNZWGT-IBGZPJMESA-N 355.478 4.467 0 40 FIAB Cc1cc(OCC(=O)NCC2CCCCC2)cc(C)c1Br 224245129 DRSMFKCKQVZSHJ-UHFFFAOYSA-N 354.288 4.141 0 40 FIAB COc1ccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1Cl 225182493 RVDVYENMZFTOAV-UHFFFAOYSA-N 361.869 4.455 0 40 FIAB CC(C)OC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 225438179 ORWNJELRFVCIOC-UHFFFAOYSA-N 352.478 4.293 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)N[C@H](C)CC 225694623 DSAVLFQCUDHDJE-MLGOLLRUSA-N 373.324 4.425 0 40 FIAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)c(N)c3)o2)C1 226305027 QWDXVCRHBYGQCZ-NSHDSACASA-N 363.255 4.163 0 40 FIAB O=C(NCc1ccc(F)cc1)Nc1ccccc1-c1cn2ccccc2n1 390829030 WCFXDITZCUUGFL-UHFFFAOYSA-N 360.392 4.462 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)NCc1ccccc1 408627613 MJKJLVUNOBJDRQ-VQHVLOKHSA-N 365.285 4.198 0 40 FIAB CCOC(=O)c1c(N)oc(-c2ccc(OC)cc2)c1-c1cccc(OC)c1 408722599 LRZSJVILXOHSMD-UHFFFAOYSA-N 367.401 4.390 0 40 FIAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409197826 PQRKGDUUFUIEDH-XSFVSMFZSA-N 372.424 4.331 0 40 FIAB COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409369822 ZFERVSFTGPIWMY-KLDKWKSESA-N 371.436 4.090 0 40 FIAB C[C@H](Cc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 553963836 MLTXJOGLSVLQMM-LJQANCHMSA-N 350.506 4.168 0 40 FIAB O=C(O)[C@@H](c1ccccc1F)N1CCC(c2nc3c(s2)CCCC3)CC1 563631060 NNJGJZIRWHLXPK-GOSISDBHSA-N 374.481 4.166 0 40 FIAB CC1=C(C(=O)OC2CCC(C)CC2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 823583 YHTHXEVXKGMOAQ-FQRFQQLUSA-N 362.857 4.090 0 40 FIAB Cc1cc2cc3c(cc2nc1SCc1ccc(C(=O)O)cc1)OCCO3 928346 HOTYDOYILCZZNP-UHFFFAOYSA-N 367.426 4.305 0 40 FIAB CC1(C)CN(c2cccc(-c3ccnc4c(-c5cccs5)cnn34)c2)C1=O 1384431 FBELDUCGEZFDNJ-UHFFFAOYSA-N 374.469 4.498 0 40 FIAB Cc1cccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccccc2)c1 1509708 LIXVULYEMHLBSO-QHCPKHFHSA-N 370.452 4.487 0 40 FIAB OCCOc1ccc2ccccc2c1-c1c(OCCO)ccc2ccccc12 1765630 OVJPYIRGUFWANT-UHFFFAOYSA-N 374.436 4.402 0 40 FIAB Cc1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 1960665 CHXCNECGISJGEN-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB Cc1cc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(C)n1C 2665249 UBILXIWAORBFNR-UHFFFAOYSA-N 365.404 4.274 0 40 FIAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 3072839 BKOSVUWADHVPOY-INIZCTEOSA-N 354.425 4.160 0 40 FIAB COC(=O)c1cc(-c2c(C)oc3cc(OC(C)C)ccc3c2=O)c(C)o1 3171815 OXQCUIBPWSYWPW-UHFFFAOYSA-N 356.374 4.244 0 40 FIAB CC(C)c1ccc(Nc2nnc(SCC(=O)NC(C)(C)C)s2)cc1 3301364 PSVBJHFVJNDKRG-UHFFFAOYSA-N 364.540 4.412 0 40 FIAB Cc1cc(Br)ccc1OCC(=O)Oc1ccccc1Cl 4575466 QXYYGUKAEGSYQL-UHFFFAOYSA-N 355.615 4.395 0 40 FIAB COC(=O)/C(=C(/F)S[C@@H]1C[C@@H](C(C)(C)C)CCC1=O)C(F)(F)F 4593636 PXGACNOWPAPDJF-FBIDIUTMSA-N 356.381 4.420 0 40 FIAB COc1ccc(-c2cs/c(=N\c3cc(C)ccc3C)n2CCO)cc1 4614706 MRPUAZPCBFYADA-MRCUWXFGSA-N 354.475 4.067 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C(C)C)cc1 4815037 CJDAPESAGIQMLS-PMACEKPBSA-N 360.461 4.310 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)Nc3nc4ccc(F)cc4s3)c2O1 5559156 VGGVNLXDQJVYFR-UHFFFAOYSA-N 372.421 4.166 0 40 FIAB CCO/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 5591945 FKARGQUWDQZXDS-KAMYIIQDSA-N 361.319 4.270 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2c(c1)CCC2 6153971 QHCJJJLWWUNPLF-UHFFFAOYSA-N 359.351 4.183 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)nc1 6607961 CKGRPQOWXSKWJI-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB Fc1ccc(OCc2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 6662781 QDVWJVAUHLCMPQ-UHFFFAOYSA-N 360.801 4.224 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc(F)c1 6882484 PPFJBPXVUQRNJH-UHFFFAOYSA-N 365.842 4.216 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1 7408201 KMDKLXXKJIKYQR-UHFFFAOYSA-N 360.841 4.083 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3cc(C)ccc3C)c(=S)o2)cc1 8550635 DIFDNFSOCYPLDH-UHFFFAOYSA-N 353.447 4.437 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)Cc3cccs3)cc21 8959664 WEWDPOSOSZCSNV-UHFFFAOYSA-N 372.490 4.091 0 40 FIAB CCOc1ccc2[nH]c(S[C@@H](C(=O)NC3CC3)c3ccccc3)nc2c1 9367169 OSUARIXLONWFQR-GOSISDBHSA-N 367.474 4.074 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(COc2ccccc2)o1 9530901 HEIOOKPCQRUNNV-UHFFFAOYSA-N 371.776 4.493 0 40 FIAB CCOc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 10281656 SVPCVACBADFRAT-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB COc1ccc2cc(CNC(=O)N3CCC[C@@H](C(F)(F)F)C3)ccc2c1 10495392 PISPBCVTPXSDDJ-MRXNPFEDSA-N 366.383 4.332 0 40 FIAB O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(F)cc1 10574248 KKVGWEUEEJSBMC-UHFFFAOYSA-N 366.270 4.252 0 40 FIAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1Cl 11531806 MGMDAMKSOQFBGK-UHFFFAOYSA-N 360.244 4.152 0 40 FIAB CCn1/c(=N\C(=O)c2ccc3ncsc3c2)sc2cc(C)ccc21 12180866 JCNHILLVTIIDAQ-CZIZESTLSA-N 353.472 4.382 0 40 FIAB CCCOc1ccccc1NC(=O)CNc1ccc(OC(F)(F)F)cc1 12523181 QVAHKZSZCAOOQG-UHFFFAOYSA-N 368.355 4.425 0 40 FIAB CCCCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 12987160 PSWIFVFIFRIZCJ-UHFFFAOYSA-N 356.495 4.267 0 40 FIAB Fc1ccc(-n2c(S)nnc2COc2cccc3ccccc23)cc1 13535192 BNDCBQAWLIDJBD-UHFFFAOYSA-N 351.406 4.427 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1 13788517 RVCIDLJNIAMDOY-UHFFFAOYSA-N 353.260 4.383 0 40 FIAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccc(Oc2ccccc2)cc1 14165490 SUBUPBMJZQHZFD-IBGZPJMESA-N 374.396 4.207 0 40 FIAB c1ccc2sc(SCCCc3nc(-c4ccncc4)no3)nc2c1 14729365 FAFIXNQCGOJWGZ-UHFFFAOYSA-N 354.460 4.466 0 40 FIAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CCc1ccccc1)CO3 19882448 JTDHLKHXQDBQND-UHFFFAOYSA-N 369.848 4.458 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 20037613 YCMHXXNDCIGCJF-KRWDZBQOSA-N 361.441 4.368 0 40 FIAB Cn1ccnc1[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1ccccc1 23773930 XHQXYURPMGUQOD-CTWPCTMYSA-N 353.510 4.478 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C2CC2)c1C 25054991 ALMCCSFTXFLPKQ-CQSZACIVSA-N 356.441 4.209 0 40 FIAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc(F)cc2F)o1 28230553 XMLBASFBOOJTQK-UHFFFAOYSA-N 361.319 4.206 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1cccc(Br)c1 28303632 IGUPLZMPHZJBEL-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)N[C@H]1CCOc2ccccc21 32740794 GAJGVDPVXVPXLC-AWEZNQCLSA-N 356.472 4.054 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2N2CCCC2)c(C)n1Cc1ccccn1 32965436 WSJXCAPUBDLHPN-UHFFFAOYSA-N 374.488 4.401 0 40 FIAB CCCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 33287810 SRHIPLLLNHFLHW-UHFFFAOYSA-N 355.825 4.213 0 40 FIAB CCc1ccccc1N1C(=O)C[C@H](Nc2cccc(Cl)c2Cl)C1=O 36635560 SZBZZXNRGCQZBT-AWEZNQCLSA-N 363.244 4.300 0 40 FIAB O=C(NCCc1csc(-c2ccc(F)cc2)n1)NCc1cccs1 38667445 VGWZIQJBWZABQH-UHFFFAOYSA-N 361.467 4.053 0 40 FIAB Cc1ccc(SCCNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 38836749 MWEIOQWJCBMORE-UHFFFAOYSA-N 365.502 4.070 0 40 FIAB COc1ccccc1-c1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)no1 40087388 QFKJDPQZBBMOAG-ZDUSSCGKSA-N 354.381 4.323 0 40 FIAB CCN(CC)Cc1cccc(CNC(=O)Nc2ccc(C(C)=O)cc2)c1 40145458 JPGKEPOEOUDHMZ-UHFFFAOYSA-N 353.466 4.053 0 40 FIAB Nc1oc(-c2ccccc2)nc1-c1nnc(C(F)(F)c2ccccc2)o1 41154177 ZTQBEGRJMVTIMO-UHFFFAOYSA-N 354.316 4.114 0 40 FIAB O[C@@H](CSc1nnc2sc3ccccc3n12)c1ccc(F)c(F)c1 42656792 ZDFDOISTLCRZRL-ZDUSSCGKSA-N 363.414 4.048 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(-n2ccnc2)c1 47514987 LOROWTWIXSJKSA-UHFFFAOYSA-N 360.442 4.177 0 40 FIAB C[C@@H](CNC(=O)NCc1ccc(-c2ccccc2F)o1)CN1CCCCC1 58175516 YLICWXUAKXZYHL-INIZCTEOSA-N 373.472 4.007 0 40 FIAB CCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2cc(F)ccc21 58297868 AJJYEPIETASNJI-UHFFFAOYSA-N 372.875 4.171 0 40 FIAB O=C(NCCCOc1ccc(Cl)cc1Cl)c1n[nH]c2ccccc12 60185602 HTHNHLPFQDIWFE-UHFFFAOYSA-N 364.232 4.069 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 61997315 LQCBUKNQAZJIHL-FQEVSTJZSA-N 350.462 4.109 0 40 FIAB CC(C)Cn1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2c1=O 70666500 WKEDXKSKZRVUOM-UHFFFAOYSA-N 359.429 4.391 0 40 FIAB biogenic CC(=O)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215496 SQWQPNZHABMZGM-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)CNc2c(C)cccc2Cl)cc1 72312411 YKHSLIOYABCXJR-UHFFFAOYSA-N 373.884 4.181 0 40 FIAB CCn1c(CN2CCC[C@@H]2C[C@H](O)c2cccs2)nc2c(F)cccc21 75105965 BCWXGWWMTGUQRC-PBHICJAKSA-N 373.497 4.345 0 40 FIAB Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@@H](C)c1ccccn1 79060336 RBSHLWMTODONKH-JTQLQIEISA-N 366.895 4.298 0 40 FIAB C[C@H](C[C@H](O)c1ccco1)NC(=O)CCc1cccc(Cl)c1Cl 84637127 LGGWVMZCZCFPEZ-RISCZKNCSA-N 356.249 4.147 0 40 FIAB Cc1cc(N2CCc3c(ncn3C3CC3)C2)c2cc(OC(F)F)ccc2n1 95400229 WTRACNDGNCYWCP-UHFFFAOYSA-N 370.403 4.239 0 40 FIAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 96003540 WANULFVADKJCOY-UYAOXDASSA-N 363.505 4.136 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N2CCS[C@H](c3ccccc3)CC2)c1 208043966 UUUZAJQLEFPBMM-SFHVURJKSA-N 361.532 4.172 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 219544589 DZIBPMVWCPYALS-INIZCTEOSA-N 355.434 4.195 0 40 FIAB O=C(CCc1cccc2ccccc12)NCc1nc(-c2ccccc2)no1 222678979 WZFMHRXQSJQQHB-UHFFFAOYSA-N 357.413 4.139 0 40 FIAB COc1cccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)c1 223136228 YAAZQYAVFTZEMT-UHFFFAOYSA-N 355.478 4.255 0 40 FIAB COc1ccc(-c2ncc(C(=O)Nc3cc(C)ccc3OC)c(C)n2)cc1 223143428 WXCNGPJCBWCEIK-UHFFFAOYSA-N 363.417 4.030 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CCc3ccc(C)cc3)s2)cc1 224458397 WUSHTEDUJREZAM-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 224694102 QRMLMWWZSJZOKS-ROUUACIJSA-N 371.477 4.437 0 40 FIAB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 225667017 LNVSWPXZFOZXFG-HCWHUNCVSA-N 369.461 4.302 0 40 FIAB CC(C)Oc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)cc1 225924874 PVGYCJZFDINPMR-UHFFFAOYSA-N 370.449 4.117 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(C)c(-c3ccc(C(=O)O)o3)c2)cc1 226353292 TUKQSOVXNWJERH-UHFFFAOYSA-N 371.414 4.062 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257252125 JTQHUWYTYRSXBF-IBGZPJMESA-N 365.408 4.085 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2Cc2ccncc2C)n1 257281744 OQUCUDQZTXAMNH-HXUWFJFHSA-N 374.492 4.273 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)CSCc1cccc(Cl)c1 408781928 DCLOUPXERJHRJL-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB COc1cc(C)c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1C(C)C 409227607 QSADATQDZBNSDS-XDHOZWIPSA-N 364.445 4.220 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1 409232136 HBGSMAGYIKVTGS-LZYBPNLTSA-N 361.228 4.395 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)n[nH]2)o1 561133195 DDQRQEXFRFNOCV-MBOZVWFJSA-N 361.445 4.386 0 40 FIAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1cc(=O)c2ccccc2o1 585146720 GZPHWWVHLGVTIK-AWEZNQCLSA-N 365.410 4.009 0 40 FIAB Cn1nccc1-c1cncc(CNC(=O)c2ccc(-c3ccsc3)cc2)c1 585402199 FLWWQBWNCUSMKC-UHFFFAOYSA-N 374.469 4.141 0 40 FIAB COc1c(C)cnc(CN2CCC(c3ccc4cccnc4n3)CC2)c1C 653807254 RNCRFKBGCWCIFP-UHFFFAOYSA-N 362.477 4.030 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)NC[C@@H](c1ccsc1)c1ccco1 675007868 XKOLGMWBHYMIQP-KQPPXVQYSA-N 359.472 4.063 0 40 FIAB C[C@](Cc1ccccc1)(NC(=O)c1cccc2nc(O)[nH]c12)c1ccccc1 1142206885 LJKVCKVIRITOAP-HSZRJFAPSA-N 371.440 4.156 0 40 FIAB C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cnc3c(F)cccc3c2)C1 1531083219 ZHWOUQSEKQGROG-NRFANRHFSA-N 352.384 4.317 0 40 FIAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3CCCOc2ccccc2)nn1 1888863854 LWSSQJPBZQRGHY-DFNIBXOVSA-N 368.525 4.213 0 40 FIAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 755275 FEELWRSHBMIUJH-UHFFFAOYSA-N 372.515 4.447 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1 846912 MLPKMIIFOMNTOJ-HNNXBMFYSA-N 351.402 4.124 0 40 FIAB COc1ccc(N[C@H]2C[C@@H](C)Nc3cc(OC)c(OC)cc32)cc1OC 874283 LBVFUEZLSIEYAH-DOMZBBRYSA-N 358.438 4.078 0 40 FIAB CN(CCOC(=O)COc1ccc(Cl)cc1Cl)Cc1ccccc1 2180663 QKAQGXRGXNDBAV-UHFFFAOYSA-N 368.260 4.047 0 40 FIAB CCc1c(C)sc2ncn3nc(COc4ccc(F)cc4F)nc3c12 2789964 JBEPDHCSPBJKQT-UHFFFAOYSA-N 360.389 4.067 0 40 FIAB COc1ccc(C(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 3243400 BRWNXMFXOUPEKB-NRFANRHFSA-N 371.864 4.459 0 40 FIAB CCCC[C@@H](CC)CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O 3960024 NGYKGQMJLKWUGF-QGZVFWFLSA-N 372.509 4.176 0 40 FIAB Cc1ccc(CSC2=NCCN2C(=O)COc2ccc(Cl)cc2)cc1 4120396 QFIQYVBVBYOGQW-UHFFFAOYSA-N 374.893 4.159 0 40 FIAB C[C@@H](CO)Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3 5046941 PFXIAXZFHKORFS-LBPRGKRZSA-N 371.531 4.265 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(OC)c1 5661294 VZTMWCQLLBABHA-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 5838838 IIBOHIYOSCJVPJ-AWEZNQCLSA-N 365.351 4.381 0 40 FIAB Cc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 6339157 CHSOMJJUKZOICZ-OAQYLSRUSA-N 358.441 4.495 0 40 FIAB CC(=O)Nc1ccc(C(=O)CSc2ccc(Br)cc2)cc1 7604289 OXMKUTBVWCLISO-UHFFFAOYSA-N 364.264 4.383 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(Cl)cc1 7608666 FDCRAHBJROTEBH-NSHDSACASA-N 368.658 4.186 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1OC 7969024 FOOXYJUZFUJMFF-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB CC[C@H]1CCc2sc(C(=O)Nc3ccnn3Cc3ccccn3)cc2C1 7989973 IHBQSAXCJLPCKQ-AWEZNQCLSA-N 366.490 4.155 0 40 FIAB Cc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c(C)c1 8280999 ZEAXLGSJUFROPK-UHFFFAOYSA-N 362.458 4.415 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 8499930 CRQSQQATBWNCSZ-UHFFFAOYSA-N 354.450 4.112 0 40 FIAB CC(=O)NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 9064275 GZXDXAMEOAVATJ-UHFFFAOYSA-N 361.426 4.481 0 40 FIAB CN1CCOc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2C1=O 9828081 SLUXXFFPNJSXDG-UHFFFAOYSA-N 372.424 4.070 0 40 FIAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(Cl)cc(Cl)c1 10222082 GCEKLVNHWKNYHS-UHFFFAOYSA-N 360.244 4.152 0 40 FIAB CN(CC(=O)NCc1ccccc1)[C@@H](c1ccccc1)c1ccc(F)cc1 11372517 ZNTZCAJXPCRVSU-QHCPKHFHSA-N 362.448 4.163 0 40 FIAB Cc1cc2oc(=O)cc(CSc3ncn(-c4ccccc4)n3)c2cc1C 11476310 YPLOJKDFLGDLOF-UHFFFAOYSA-N 363.442 4.283 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12436212 FZFAJSSXBYDCSU-UHFFFAOYSA-N 352.434 4.176 0 40 FIAB CC[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc(Cl)cc1 12806526 VBKZJDXDYVSGOV-KRWDZBQOSA-N 359.857 4.119 0 40 FIAB Cc1ccccc1OCCN(C)C(=O)NCc1cccc(C(F)(F)F)c1 12896453 CKHPEIIZEVOXDZ-UHFFFAOYSA-N 366.383 4.234 0 40 FIAB CCN(C(=O)CSc1nnc(CSC)o1)c1cccc2ccccc12 12922697 NECQKGRSNXMQCZ-UHFFFAOYSA-N 373.503 4.231 0 40 FIAB CC(C)c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 13561399 RRINWGJAIHNPEK-UHFFFAOYSA-N 350.418 4.035 0 40 FIAB COc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@H](C)C3 14136120 WABWJKVMABZZIJ-JTQLQIEISA-N 358.488 4.243 0 40 FIAB O=C(NCc1ccc(F)cc1)c1cc(-c2cccnc2)nc2ccccc12 16640539 JJQPSZDFUHPJBF-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB CCCCOC(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2ccccc12 21359965 JEYFSCQURGQGQX-UHFFFAOYSA-N 365.429 4.346 0 40 FIAB COc1ccccc1-c1noc(CSc2nnc(C3CCCCC3)o2)n1 23222699 BEXFOCKMPDUAIQ-UHFFFAOYSA-N 372.450 4.468 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 24959261 AYSOUAZSXWQUOY-UZLBHIALSA-N 370.468 4.074 0 40 FIAB Cc1cc(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)no1 29193231 HZVQJXVUENIRAT-UHFFFAOYSA-N 368.780 4.334 0 40 FIAB O=C(Cc1cccc2ccccc12)Nc1cccc(CN2CCCC2=O)c1 29287032 YODGBYHWNQNGNC-UHFFFAOYSA-N 358.441 4.143 0 40 FIAB CCOc1cc(C(=O)Nc2ccc3cn[nH]c3c2)cc(OCC)c1OCC 29371052 IWVVXENTPXLTEB-UHFFFAOYSA-N 369.421 4.011 0 40 FIAB COc1ccccc1-c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)no1 30039202 ZKUVWQNVQXMIHC-UHFFFAOYSA-N 357.435 4.357 0 40 FIAB CCOc1ccc(-c2csc(CN3C(=O)c4ccccc4C3=O)n2)cc1 30448510 IVHWLEZSQPQHAW-UHFFFAOYSA-N 364.426 4.005 0 40 FIAB CSc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30938075 XYGOVBFAQAYTLB-MRXNPFEDSA-N 358.482 4.398 0 40 FIAB COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(Cl)cc3)n2)cn1 35425827 XJBOUXSAXZVBGM-INIZCTEOSA-N 370.840 4.131 0 40 FIAB biogenic,in-vitro CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2nc3n(c2c1)CCC3 36395748 ZLBIKDVGEMGZDN-UHFFFAOYSA-N 359.882 4.360 0 40 FIAB Cc1ccc(C)c(OCc2cc(=O)n3nc(-c4cccs4)sc3n2)c1 41076389 KFAFZUCLMXMEEN-UHFFFAOYSA-N 369.471 4.075 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(CN2CCOCC2)c1 44838864 XNDXHADXQQFAJG-UHFFFAOYSA-N 352.478 4.203 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 47340882 VEWWGIGNBMODAY-GJZGRUSLSA-N 357.475 4.124 0 40 FIAB CCOc1ccc(-c2nc(N)cc(Nc3cc(C)ccc3OC)n2)cc1 49468109 NXBJAJGVHCZVMM-UHFFFAOYSA-N 350.422 4.185 0 40 FIAB C[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(NC(=O)C2CC2)cc1 55182118 FYTIMWUMMKDIFM-AWEZNQCLSA-N 361.445 4.018 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2Cl)cc1 55676815 XJIKHLQPMWLZJW-UHFFFAOYSA-N 366.870 4.052 0 40 FIAB Cc1cc(NC(=O)c2ccccc2Br)n(-c2ccccc2F)n1 57990954 JYNZBVHNMNTITN-UHFFFAOYSA-N 374.213 4.335 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 58208573 SAPGDAXZRDRLQO-QGZVFWFLSA-N 360.523 4.120 0 40 FIAB O=C(Nc1ccn(CCc2ccncc2)n1)Nc1cccc2ccccc12 62581227 FVKUIVKZEOUQKC-UHFFFAOYSA-N 357.417 4.318 0 40 FIAB COc1cccc(SCC(=O)N(c2ccc(OC)c(F)c2)C(C)C)c1 72070820 KLOVTTYEKUIUGO-UHFFFAOYSA-N 363.454 4.377 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccnc3cc(C(C)(C)C)nn23)C1 72334637 MANQZMCRMAUERU-CQSZACIVSA-N 358.486 4.141 0 40 FIAB COc1cccc(-c2cncc([C@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72359647 PBXBLHBMAPDXDT-SFHVURJKSA-N 365.477 4.048 0 40 FIAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)[C@@]1(C)CC1(Cl)Cl 95389786 FYVWEOWRIOAZFO-OAHLLOKOSA-N 374.218 4.040 0 40 FIAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1scnc1C1CC1 95447522 VDNWASHKFMQFQZ-SECBINFHSA-N 356.369 4.445 0 40 FIAB CCOc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1OC 101514459 VKKWQVQAHJZHDM-SFHVURJKSA-N 362.433 4.050 0 40 FIAB CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 114779548 SYQXJYBLHTWLDU-MRXNPFEDSA-N 367.497 4.181 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(OC)c1 219311016 CDIGFLCZNYZAQZ-FUHWJXTLSA-N 371.477 4.355 0 40 FIAB COc1ccc(CSCC(=O)NCc2ccc3ccccc3c2)cc1 222750080 FPVSAVFCLXNCNA-UHFFFAOYSA-N 351.471 4.398 0 40 FIAB COc1cc(CNC(=O)COc2ccccc2C(C)C)ccc1OC(C)C 222808330 MYXYFNMVNFDMES-UHFFFAOYSA-N 371.477 4.301 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224690475 JTQBECODJKMEII-MSOLQXFVSA-N 367.489 4.225 0 40 FIAB CSc1ccccc1NC(=O)CCc1nc(-c2ccccc2C)no1 225816718 LZCOTZNFEMJSAW-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB O=C(O)/C=C/c1ccc(Br)c(NC(=O)C2CCCCC2)c1 226357238 GDLZESYNGOWYBL-VQHVLOKHSA-N 352.228 4.066 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1c(C)cc(N)cc1Br 226763104 MAVYJGWIQIUOLJ-UHFFFAOYSA-N 369.646 4.254 0 40 FIAB CC(C)C(=O)N[C@@]1(C)C[C@H](c2cccc(C(=O)O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257283620 OZAZZILKRVRDTI-SUSJXKDRSA-N 373.493 4.182 0 40 FIAB Cn1cc(CN2CCC[C@@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 306141763 WFRCSWMDUCTBJZ-QGZVFWFLSA-N 363.490 4.133 0 40 FIAB Cc1cc(O)c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1C 408623708 RQIHVVUEVWFOQF-UHFFFAOYSA-N 372.534 4.429 0 40 FIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(Cl)c(Cl)c1 408714183 KRHYRQNSXCVRET-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB C[C@H](O)c1ncc(CNc2cnn(-c3ccc(C(F)(F)F)cc3)c2)s1 585084393 OQJAJSKKIVLACI-JTQLQIEISA-N 368.384 4.013 0 40 FIAB Cc1cccc([C@@H](CNc2nccc3sccc23)N2CCOCC2)c1 613460490 LXMQIGQYOJKZCB-GOSISDBHSA-N 353.491 4.090 0 40 FIAB Cc1ccsc1CN1C[C@@H]2[C@@H](CCC[C@H]2N(C)Cc2ccncc2)C1 2055746517 RGJAUYIHVBAVMY-XUVXKRRUSA-N 355.551 4.184 0 40 FIAB Cc1ccccc1Cc1nnc2sc(Cc3ccccc3Cl)nn12 632636 PNCZQPFQIKGJHA-UHFFFAOYSA-N 354.866 4.329 0 40 FIAB COC(=O)NC(=S)Nc1ccc(Oc2ccc(OC)cc2)c(Cl)c1 722129 ZEZQGQBXNPRDLT-UHFFFAOYSA-N 366.826 4.194 0 40 FIAB Cc1ccccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C(=O)CCC3 944077 TYXRAAMDLTXWIG-UHFFFAOYSA-N 355.415 4.061 0 40 FIAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc2cccnc12 1100860 QWUDKLFWMVKUQT-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB CCC(CC)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 2724696 GINZALMQICGJFH-FQEVSTJZSA-N 354.425 4.132 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)OCc1ccc(Br)cc1 3240922 HUFYUXHKYICOCN-UHFFFAOYSA-N 365.198 4.295 0 40 FIAB COC[C@@H](C)NC(=S)Nc1ccc(Cc2nc3ccccc3s2)cc1 3405601 PVUCPSQIFJPTQG-CYBMUJFWSA-N 371.531 4.208 0 40 FIAB CCCCCC1=NN(C(=O)c2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 4309915 KJIBYRJWNMVMMJ-HNNXBMFYSA-N 362.779 4.373 0 40 FIAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 4533819 MDJRZSNPHZEMJH-WSBGUREKSA-N 374.521 4.059 0 40 FIAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)o1 4828325 BQYLLXGCLMETDL-UHFFFAOYSA-N 371.462 4.249 0 40 FIAB O=C([C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1)N1CCCC1 5472483 VINTZBHCDZHHOA-KRWDZBQOSA-N 365.458 4.192 0 40 FIAB COc1ccc2c(CC(=O)Nc3cccc(Br)c3)coc2c1 5558292 CTXFDNQAUXWQAR-UHFFFAOYSA-N 360.207 4.385 0 40 FIAB Cn1nc(Oc2ncc(-c3ccc(Cl)cc3)cn2)cc1C(F)(F)F 5756556 VNGVFCMPKSQECG-UHFFFAOYSA-N 354.719 4.342 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 6376859 WWFWXGJWBBEDBA-LBPRGKRZSA-N 362.223 4.058 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6566131 XUAYWOYOIPHPFU-UTKZUKDTSA-N 365.473 4.134 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(C)c2)c(C)c1 6629951 UVUKTKCUUOWLHV-UHFFFAOYSA-N 355.507 4.276 0 40 FIAB O=C(CSCc1ccccc1Br)NCc1cccs1 6650318 WYWFZUDBKXUFIS-UHFFFAOYSA-N 356.310 4.060 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 6721348 FSTHUEWLUJVAOL-IJLUTSLNSA-N 360.570 4.356 0 40 FIAB CCn1nnc2cc(C(=O)N[C@H](C)c3ccc(CC(C)C)cc3)ccc21 6847738 UQEHWTMLJCOMMU-OAHLLOKOSA-N 350.466 4.141 0 40 FIAB COc1cccc(CNc2nc3c(Cl)c(C)nn3c3ccccc23)c1 7737387 DVEJDDPEQXNKNP-UHFFFAOYSA-N 352.825 4.465 0 40 FIAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1C(F)(F)F 7878464 ZJPIKBZYGMDRSD-LLVKDONJSA-N 354.397 4.325 0 40 FIAB CCCNC(=O)[C@H](C)NCc1ccc(-c2cccc(Cl)c2Cl)o1 7985277 VGLRVZYIJZTIAY-NSHDSACASA-N 355.265 4.258 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)c1 8076745 CEYSKIRSCNAXOK-UHFFFAOYSA-N 369.808 4.164 0 40 FIAB CCc1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2Cl)c1 8339359 CYRDCMKNCNTKMU-UHFFFAOYSA-N 374.897 4.479 0 40 FIAB COC(=O)CCSc1nc(/C=C/c2ccccc2)nc2ccccc12 8878004 FNRGMVBYZCRDQG-VAWYXSNFSA-N 350.443 4.455 0 40 FIAB Cc1[nH]c2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2c1C 9219837 JCTPYWXBGFTDEO-MRXNPFEDSA-N 358.445 4.461 0 40 FIAB COc1ccc(Cc2nnc(NC(=O)c3cccc(Cl)c3)s2)cc1 9242385 VUVMZWQXACTODD-UHFFFAOYSA-N 359.838 4.043 0 40 FIAB CCc1cc2c(SCC(=O)N(C)Cc3ccccc3)ncnc2s1 9366188 CRLYACGCHNTIGY-UHFFFAOYSA-N 357.504 4.004 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NCCCN1CCCCCC1 10111107 TWBQKKWBNMMVCG-UHFFFAOYSA-N 354.947 4.205 0 40 FIAB CC(C)c1ccc(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)cc1 10327329 CKDBXXWSKDNWJU-UHFFFAOYSA-N 367.474 4.011 0 40 FIAB Cc1cc(N[C@@H](C)C(=O)Nc2c(C)cccc2C)ccc1N1CCCC1=O 10750777 LRCYHUBZLYGKNL-KRWDZBQOSA-N 365.477 4.178 0 40 FIAB CC[C@H]1CCc2sc(-c3nnc(SC[C@@H]4CCCO4)n3C)cc2C1 11552756 UCWBNZJOKQRGKH-JSGCOSHPSA-N 363.552 4.330 0 40 FIAB COc1ccccc1Cc1noc2cc(OC(=O)c3ccncc3)ccc12 11854284 ZPESDGMRQVOPFU-UHFFFAOYSA-N 360.369 4.041 0 40 FIAB COc1ccc(-c2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc2OC)cc1 12035037 FIUWFHHQKVWJCE-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1O 12798048 RAZUZDVFPAZSSZ-UHFFFAOYSA-N 350.399 4.192 0 40 FIAB Cc1ccccc1COC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 12915238 RTEZNYVZSQZZQM-IBGZPJMESA-N 365.454 4.271 0 40 FIAB COc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4C3)n2)cc1 12922540 DYDYPZCUHDFPQM-OAHLLOKOSA-N 366.442 4.009 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccccc2)N(C)C)oc2c(Cl)cccc12 14190265 YUWZMTVODYIJMW-QGZVFWFLSA-N 356.853 4.427 0 40 FIAB CCn1ncc2c(C(=O)Nc3ccc(OC)cc3)cc(-c3ccccc3)nc21 14207451 NEGLXQSLSHYSCR-UHFFFAOYSA-N 372.428 4.379 0 40 FIAB Cc1nc2ccc(NC(=O)/C=C/c3cnn(-c4ccccc4)c3)cc2s1 15429703 IUEGGVPQNHISQR-JXMROGBWSA-N 360.442 4.442 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccco1)[C@H]3c1cccnc1 19563284 BRXGOYULZLMTHS-QFIPXVFZSA-N 359.429 4.312 0 40 FIAB OC1=Nc2n[nH]cc2[C@H](c2ccccc2OCc2ccccc2)SC1 20731933 XUJYOWCRRAWQPJ-SFHVURJKSA-N 351.431 4.413 0 40 FIAB CC(C)c1noc2ncc(C(=O)Nc3nc4c(s3)CCCCC4)cc12 22326156 IHENAUIOCLMGDU-UHFFFAOYSA-N 356.451 4.324 0 40 FIAB CCCCOc1ccc(C(=O)NCc2ccccc2Cn2ccnc2)cc1 25451308 VHWLLYNASIKYIB-UHFFFAOYSA-N 363.461 4.040 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(Nc2ncccn2)c1 28098354 WNTDTZHKVREUCV-UHFFFAOYSA-N 372.350 4.169 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 30274154 ULGJOASCTCBATJ-OLZOCXBDSA-N 356.491 4.322 0 40 FIAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)ccc1Br 30854386 HTLBQFZCSCUOER-LBPRGKRZSA-N 366.230 4.153 0 40 FIAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc(F)cc3F)n[nH]2)o1 31802512 SCXNPDFKHXKUFJ-FNORWQNLSA-N 361.373 4.130 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)Nc1cccc(Oc2ncccn2)c1 32027607 BNIFGHVCUXYHGQ-UHFFFAOYSA-N 358.401 4.322 0 40 FIAB O=C(NCCc1cccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 32348579 INPNVTYLQIIGPU-UHFFFAOYSA-N 360.335 4.333 0 40 FIAB O=C(Nc1nnc(SCc2nc3ccccc3[nH]2)s1)c1cccs1 32501688 UWGORQUCCABZDL-UHFFFAOYSA-N 373.488 4.021 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)Nc1cccs1 38489820 YSUPKHNIVRVPRT-UHFFFAOYSA-N 353.403 4.188 0 40 FIAB CCOCc1ccc(CNC(=O)Nc2ccccc2N2CCCC2)cc1 40103761 ZEGXFMMHOIODRR-UHFFFAOYSA-N 353.466 4.145 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44857210 KYGJJTUZMMUHFE-GOSISDBHSA-N 368.546 4.221 0 40 FIAB NC(=O)c1cccc(-c2nc(-c3ccc(Br)cc3)cs2)c1 58209537 NIGMXZHUDJRBKI-UHFFFAOYSA-N 359.248 4.339 0 40 FIAB CN(C)CCN(CCc1ccccc1)C(=O)c1cc2ccccc2s1 58954070 SAJKZGKJMRMVEF-UHFFFAOYSA-N 352.503 4.148 0 40 FIAB CC(C)(C)n1cc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cn1 65923654 CFRRRZQLVMFHIR-OAHLLOKOSA-N 359.495 4.162 0 40 FIAB CN(CC(=O)Nc1nc(-c2ccco2)cs1)c1nc2ccccc2s1 70640824 GIWAUMLTSCZOHV-UHFFFAOYSA-N 370.459 4.088 0 40 FIAB Cc1c(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)oc2c1C(=O)CCC2 81793085 CUOOBAFONOSIKA-OAHLLOKOSA-N 352.434 4.204 0 40 FIAB O=C(Nc1ccccc1)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96046627 LUAZABKBUQQEAG-UHFFFAOYSA-N 367.468 4.346 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(F)cc2)C[C@@H](c2ccccc2)C1 102614991 VIXMCWSMAMARFX-QRWLVFNGSA-N 360.392 4.482 0 40 FIAB O=C(COC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1Cl 103100294 NPHYUTHOZNFNDY-UTUOFQBUSA-N 356.249 4.301 0 40 FIAB CSCC[C@@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)O 113404797 KJAVOSTVCXDMHQ-CQSZACIVSA-N 373.396 4.261 0 40 FIAB O=C1S/C(=C/c2ccc[nH]2)C(=O)N1Cc1ccccc1Br 215088394 UWQWRCOFHYYFAW-MDWZMJQESA-N 363.236 4.014 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)OC)c1C 216249283 ZJFQITKHKJVBJQ-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(C)cc1C 222571645 CFEIGHVPBBSOJU-SFHVURJKSA-N 361.507 4.358 0 40 FIAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCC 223793129 PARABZPOVIDEEQ-KRWDZBQOSA-N 352.906 4.164 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 224465212 FOGNTNAXGUZOLI-OAQYLSRUSA-N 371.477 4.000 0 40 FIAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)C1(c2ccccc2)CC1 225988617 QANAEOCNDSNDGO-CYBMUJFWSA-N 356.263 4.459 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(Br)c1 408681195 PXBWHNOAYKMVGT-CQSZACIVSA-N 364.239 4.254 0 40 FIAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC)C3=O)o2)cc1 409064010 BAOCCBMSYJUIFU-LFIBNONCSA-N 371.414 4.180 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 594636006 HLIMLAKIFKAHEN-JLTOFOAXSA-N 364.493 4.376 0 40 FIAB O=C(C[C@@H]1CCOC1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 606764541 KFOCNYVZRWHHBN-LBPRGKRZSA-N 370.396 4.118 0 40 FIAB Cc1cn2c(n1)C[C@H](c1nc(Cc3ccc(Cl)cc3Cl)no1)CC2 624419944 UGWJHLVSEGQZKH-GFCCVEGCSA-N 363.248 4.202 0 40 FIAB Cc1ccc(-c2nc(C(=O)Nc3ccccn3)c(N3CCCCC3)o2)cc1 1775976330 QIGLTMWNSVZZQB-UHFFFAOYSA-N 362.433 4.288 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)COc2ccccc21 581124 GDENQVJDDLXALG-UHFFFAOYSA-N 366.461 4.298 0 40 FIAB COC(=O)c1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 957065 WWATYHZPTBUEHV-MDZDMXLPSA-N 350.201 4.432 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1C(C)C 1364198 LZBOPUTWCCRADU-UHFFFAOYSA-N 352.891 4.114 0 40 FIAB CCC(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)CC)c3)o2)c1 2302126 KDALEXLATPDJJG-UHFFFAOYSA-N 364.405 4.101 0 40 FIAB O=C(COC(=O)c1nc(Cl)ccc1Cl)c1ccc(Cl)s1 3247879 CRTCMCPSNZPLRS-UHFFFAOYSA-N 350.610 4.143 0 40 FIAB Cc1ccc(C)c(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c1 3459251 GYLHVNBDTFKJBF-UHFFFAOYSA-N 364.367 4.033 0 40 FIAB CCCCOc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1 4061143 BXDJLDCUCVEFGH-UHFFFAOYSA-N 369.490 4.006 0 40 FIAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCCC)cc1 4064483 PWLDZMFTMHASLX-IBGZPJMESA-N 374.481 4.227 0 40 FIAB Fc1ccc([C@@H]2c3cccn3CCN2C(=S)NCc2ccccc2)cc1 4088116 ZJPLTWSGGWHXPA-HXUWFJFHSA-N 365.477 4.107 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)CSc3ccccc3)nc12 4496694 UOGAKQUHTJLKMS-UHFFFAOYSA-N 360.460 4.044 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 4748679 WLUAIVDEKOTKCS-OAHLLOKOSA-N 353.491 4.192 0 40 FIAB CCc1ccc2[nH]c3nc(SCC(=O)c4ccccc4F)nnc3c2c1 5444984 VZDYLUFTAUINOJ-UHFFFAOYSA-N 366.421 4.183 0 40 FIAB NC(=O)N[C@@H](CC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 6602525 USOBQPGASDFPQM-SFHVURJKSA-N 367.836 4.231 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccccc2OC(F)F)N1CC(F)(F)F 7113248 GQYBAWIKHGYDMJ-AWEZNQCLSA-N 372.293 4.417 0 40 FIAB Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 7468366 WEYQKWLZOPYYLJ-UHFFFAOYSA-N 365.820 4.427 0 40 FIAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 7552500 ZXWRJBKBIACQLB-OAHLLOKOSA-N 369.248 4.059 0 40 FIAB O=C(NCCSCc1ccc(Br)s1)c1ccccc1F 7649195 QHKNKEGZLWLTKT-UHFFFAOYSA-N 374.300 4.313 0 40 FIAB CSc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 7745922 GMYUEKHGEPJIBF-UHFFFAOYSA-N 364.311 4.033 0 40 FIAB CCCNC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCCC1 7781745 LRCCZIUEFANNCN-UHFFFAOYSA-N 356.470 4.299 0 40 FIAB C[C@H]1Oc2ccc(NC(=O)c3cc(C4CC4)nc4ccccc34)cc2NC1=O 8015832 GAAMFVUOVWPJEK-GFCCVEGCSA-N 373.412 4.084 0 40 FIAB O=C(Cc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3o2)CC1 8076608 BGFUTYREPAFVFQ-UHFFFAOYSA-N 360.457 4.265 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2C)n2ncnc2N1 8609886 JUIUNYVGBNJCOX-HXUWFJFHSA-N 373.460 4.131 0 40 FIAB CCn1c(C)cc2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc21 12148373 XHIQVXPAVOAELF-UHFFFAOYSA-N 361.445 4.349 0 40 FIAB COc1ccc(C2(NCc3ccccc3OCc3ccccn3)CC2)cc1 12238643 CJESRLQIWCZIHT-UHFFFAOYSA-N 360.457 4.448 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2F)o1 12522483 XSNKVIRISSOHJQ-UHFFFAOYSA-N 366.392 4.175 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c12 14179637 CDNASXZONLEOSF-UHFFFAOYSA-N 351.450 4.107 0 40 FIAB Cc1ccc(Cn2nc(C)c(/C=C/c3ccc(C(=O)O)cn3)c2Cl)cc1 14197286 FMKUQKFFVYZIND-MDZDMXLPSA-N 367.836 4.465 0 40 FIAB CCCNc1nc(Nc2ccc(OC)cc2)c2cnn(-c3ccccc3)c2n1 17286275 BUQDSVYTUOTJGG-UHFFFAOYSA-N 374.448 4.390 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCc1ccc(Cl)cc1 17297920 GWZYJCFJLXOXKC-UHFFFAOYSA-N 355.865 4.151 0 40 FIAB O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 18155664 GVOKXORIXZONRW-UHFFFAOYSA-N 355.319 4.400 0 40 FIAB CCCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 18210421 FUPYVWBFPLDBKE-DZGCQCFKSA-N 366.387 4.073 0 40 FIAB aggregator COc1cc2c(cc1OC)[C@H](Cc1ccccc1)N[C@H](c1cccnc1)C2 19550757 KJOASYJUWDNFNK-SFTDATJTSA-N 360.457 4.270 0 40 FIAB Cc1ncsc1-c1nnc(C2CCN(C(=O)CCC3CCCC3)CC2)o1 19563128 UFWYRZRKKOZKJX-UHFFFAOYSA-N 374.510 4.178 0 40 FIAB Cc1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1C 20143823 VAINUXZKSKQTMH-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c1Cl 21166131 UKCGUKAAPGJODM-LBPRGKRZSA-N 373.305 4.177 0 40 FIAB COc1ccccc1CNc1ncccc1C(=O)Nc1cccc(F)c1 22072225 NCDVMMMDKZKLSV-UHFFFAOYSA-N 351.381 4.094 0 40 FIAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Cl)nc1 22370737 SCPZRXYGXQGVJV-UHFFFAOYSA-N 358.806 4.268 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 22913018 FMWQXGUSVSDWLS-HUUCEWRRSA-N 359.491 4.370 0 40 FIAB CCc1nnc(NC(=O)c2ccc(SCc3cscn3)cc2)s1 25053596 COATVSGMXGCNNR-UHFFFAOYSA-N 362.505 4.102 0 40 FIAB O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@@H]1c1ccc(F)cc1 25361178 ZPPXUEJCBYXXMF-HXUWFJFHSA-N 366.436 4.039 0 40 FIAB CCCCn1c(SCC(=O)c2ccc(NC(C)=O)cc2)nc(C)c1C 26121930 HVMXCIVZRCXHDD-UHFFFAOYSA-N 359.495 4.233 0 40 FIAB CC(C)N(Cc1ccccc1)C(=O)Cc1csc(-c2cccnc2)n1 31865040 FAFATJOHYUNRTP-UHFFFAOYSA-N 351.475 4.185 0 40 FIAB COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CO)C=C3C)o2)cc1 35442770 XQJHZSOKBXQFEE-LNLFQRSKSA-N 356.466 4.135 0 40 FIAB biogenic,in-vitro COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2c(F)cccc2F)c1 36358695 HEIAPTRUMZKJJM-ZDUSSCGKSA-N 355.344 4.283 0 40 FIAB Cc1ccc2cc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)[nH]c2c1 40058957 XRZUQEPLVHWQOH-UHFFFAOYSA-N 358.445 4.372 0 40 FIAB CCN(C1CCCCC1)S(=O)(=O)c1cc(Br)c(C)cc1C 41095088 NKVWKJVAAPLMED-UHFFFAOYSA-N 374.344 4.409 0 40 FIAB COc1cc([C@H]2SCC(O)=Nc3[nH]nc(C)c32)ccc1OC1CCCC1 44893954 UCSSNUCFCWHZEF-GOSISDBHSA-N 373.478 4.472 0 40 FIAB CCCC[C@H](CC)CNC(=S)Nc1cccc(-c2nnnn2C2CC2)c1 48287062 UMJKXXIXNXIQHK-AWEZNQCLSA-N 372.542 4.178 0 40 FIAB CC(C)(C)[C@@H](NC(=O)Nc1ccccc1-n1cncn1)c1cccs1 58086220 DRWLTIBHOGKCKO-INIZCTEOSA-N 355.467 4.238 0 40 FIAB CCCc1ccc([C@@H](NC(=O)c2ccc(-n3cnnc3)cc2)C(C)C)cc1 58218717 CUHLSDMPNXGBBU-NRFANRHFSA-N 362.477 4.347 0 40 FIAB COc1ccc2cc(C(=O)N(C)Cc3ccccc3N3CCCC3)[nH]c2c1 58416688 VFZUPPJUVXCVSM-UHFFFAOYSA-N 363.461 4.049 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 68785106 BILZAZJUQUEDHX-QGZVFWFLSA-N 357.841 4.352 0 40 FIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCOc2ccccc21 78472624 AUYMHCXFAYMCPX-HNNXBMFYSA-N 354.406 4.454 0 40 FIAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1Cl 85345102 LSUXZQAKVHJDFM-UHFFFAOYSA-N 357.740 4.138 0 40 FIAB COc1ccccc1CC(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95956549 KPRQNFBIFMFYOD-UHFFFAOYSA-N 361.445 4.248 0 40 FIAB Cc1nc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)sc1C 96183618 YGIZIRMGZYTMEK-UHFFFAOYSA-N 371.506 4.193 0 40 FIAB CCCCOc1cccc(C(=O)/N=c2/sc3cc(OC)ccc3n2C)c1 100852856 GLTZEPPQWDCOFX-QZQOTICOSA-N 370.474 4.168 0 40 FIAB O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)[C@H]1C[C@H]2C=C[C@H]1C2 102168040 WLIROTAFHGGJIA-NHCYSSNCSA-N 368.380 4.388 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1C 136530609 INJQIKCCJSZWFI-HDICACEKSA-N 374.440 4.011 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219561994 JKAIERPOUIWGMR-DLBZAZTESA-N 369.461 4.271 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1F 219574641 BMOGTBIGJPCINB-KRWDZBQOSA-N 365.445 4.172 0 40 FIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)S1 222636222 CGWOACRLYMMXIH-BEVDRBHNSA-N 360.486 4.462 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cc(C)ccc1C 224025512 OPMUYMXEXICUDQ-IBGZPJMESA-N 355.478 4.273 0 40 FIAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224415402 YTWJVCKQQLANJS-RBUKOAKNSA-N 366.465 4.219 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224980164 FXLSZMAXRQIVJU-UHFFFAOYSA-N 374.488 4.482 0 40 FIAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 225267796 RUUVDVYNQVDCEG-HNNXBMFYSA-N 374.506 4.236 0 40 FIAB CC[C@H](CNC(=S)Nc1cccc(C(=O)OC)c1)Cc1ccccc1 225632324 SJPZRCPNHASXKX-HNNXBMFYSA-N 356.491 4.029 0 40 FIAB O=C(c1cc2ccccc2[nH]1)N1CCC(Oc2cccc3cccnc23)CC1 225705750 CAHUTGCCLWXBED-UHFFFAOYSA-N 371.440 4.400 0 40 FIAB CSc1ccccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814582 HFDPCAMLDMSRRM-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ncccn1 225989431 JQURAFCNJSFUSF-UHFFFAOYSA-N 360.914 4.319 0 40 FIAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(c2noc3cc(F)ccc23)CC1 247823827 IJBUCIICBBRNKU-FHLIZLRMSA-N 366.436 4.275 0 40 FIAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@H](COc2ccc(F)cc2)C1 247826187 JHFLJPDQKPCWLR-ACZWYYKOSA-N 355.453 4.045 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1C 408559986 BLLCVRCPUTZNNN-UHFFFAOYSA-N 354.479 4.042 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1F 408695893 USIQNSYMGRPSTG-UHFFFAOYSA-N 373.405 4.427 0 40 FIAB C[C@H](N[C@@H](C)C1CC(F)(F)C1)c1ccc(NC(=O)c2ccncc2)cc1 529552035 WUJJUTCWSRAUDZ-KBPBESRZSA-N 359.420 4.418 0 40 FIAB CCOc1ccc(Nc2ncccc2-c2nc([C@@H]3CCCOC3)no2)cc1 685376418 BTHVSECEFUFXNY-CQSZACIVSA-N 366.421 4.168 0 40 FIAB O=C(C[C@@H]1CCc2ccccc2C1)Nc1n[nH]c(-c2cccc(Cl)c2)n1 1125426974 WLFFDIYRUKMNDK-CYBMUJFWSA-N 366.852 4.259 0 40 FIAB C[C@@H]1C[C@@H]1c1cc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)n[nH]1 1570721340 UDGXOJBWCSTFJJ-BHPKHCPMSA-N 358.511 4.465 0 40 FIAB OC[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1cccc(C(F)(F)F)c1 1640272672 VNEZLZCOSYDYMN-OAHLLOKOSA-N 369.293 4.072 0 40 FIAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN([C@@H](C)Cc1ccco1)C3 20649640 SNIGOBXPRKGBQL-LBPRGKRZSA-N 359.809 4.131 0 40 FIAB O=S(=O)(Oc1ccc2c(-c3ccccc3)noc2c1)c1ccc(F)cc1 32100208 WIPBFDVQPSQODC-UHFFFAOYSA-N 369.373 4.402 0 40 FIAB CCCC[C@@H](CC)CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 29326446 WUNXNBSHBAXVQP-GOSISDBHSA-N 373.541 4.328 0 40 FIAB O=C(Nc1ccccc1)Nc1cccn(Cc2c(F)cccc2Cl)c1=O 1354163 GFEGBLFACQQOER-UHFFFAOYSA-N 371.799 4.333 0 40 FIAB Nc1nc(SCc2ccccc2)c(N)c(SCc2ccccc2)n1 1707569 LHYPPLIXVIDZDS-UHFFFAOYSA-N 354.504 4.226 0 40 FIAB Cc1ccccc1Cc1nnc2sc(Cc3cccc(Cl)c3)nn12 2182914 UZFVOPIHVYVMDX-UHFFFAOYSA-N 354.866 4.329 0 40 FIAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)c1 3008116 BUKLRLSGDZYAKE-UHFFFAOYSA-N 369.421 4.019 0 40 FIAB O=C(CSC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 3251100 IPJKSIYHDHAJGH-UHFFFAOYSA-N 355.337 4.097 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCCOc1ccccc1F 32779655 BMDCWVGFDKISSQ-CQSZACIVSA-N 356.397 4.353 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Nc2ccccc2)cc1 32720185 FSQVPBJKCDGZIR-UHFFFAOYSA-N 360.413 4.383 0 40 FIAB Cc1cccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c1C 2655842 BEROXGHFKIHJFG-UHFFFAOYSA-N 363.413 4.017 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)s2)cc1OC 2605470 OEDDYECHUHRZNK-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB CC[C@@H](C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 4922941 RBHLJBAYXIMOJE-MRXNPFEDSA-N 355.457 4.137 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2)c(OC)c1 7719634 NKHRPFPCJNQBIV-GOSISDBHSA-N 374.868 4.133 0 40 FIAB O=C(c1cccc(OCc2cscn2)c1)N1CC[C@H]2CCCC[C@H]2C1 21905454 FBQRBHGGDMRPAG-WBVHZDCISA-N 356.491 4.374 0 40 FIAB CC[C@H](Sc1nnc(C)s1)C(=O)Nc1ccc(Br)cc1 679537 FSZJWKCFTVGQEE-NSHDSACASA-N 372.313 4.118 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)c1cc(Br)ccc1F 37503758 JTEJFBGDYVXYPP-UHFFFAOYSA-N 351.219 4.215 0 40 FIAB Cc1c(C=O)c2ccccc2n1CC(=O)N1c2ccc(F)cc2CC[C@H]1C 1015540 UGTMUSFFYSIOBZ-CQSZACIVSA-N 364.420 4.269 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccnc1N1CCCC1 23995757 NOTNDTJZYBSMRR-AWEZNQCLSA-N 366.490 4.125 0 40 FIAB CC(=O)c1c(OC(=O)c2ccccc2Br)c2ccccc2n1C 1241717 GQGOTGUZYDYDRU-UHFFFAOYSA-N 372.218 4.363 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)N[C@@H](C)CCCC(C)C)CC1 12545937 PPAXCUNRLSMMBJ-SFHVURJKSA-N 361.530 4.132 0 40 FIAB COc1ccc(CCC(=O)NCc2ccc(C)cc2)cc1Br 24843352 HXOPGDJFCHGMDU-UHFFFAOYSA-N 362.267 4.015 0 40 FIAB O=C(Nc1ccccc1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 1391124 YIOOBFJEKRHVCB-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB COc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 21596151 XSELOBLVSSLVFK-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(C(C)C)C4)cc1 57142801 OCQDVYORRQYCDB-UHFFFAOYSA-N 351.402 4.029 0 40 FIAB biogenic Fc1ccccc1N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 12562901 BDNFHBOEUJDRGN-UHFFFAOYSA-N 371.843 4.456 0 40 FIAB C[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)N1c2ccccc2C[C@@H]1C 57727650 KROZHGXZMBXNMU-STQMWFEESA-N 364.367 4.363 0 40 FIAB O=C(Nc1c(-c2ccccc2)nc2scnn12)c1ccc(Cl)cc1 27024783 RGQGKXLLNGDCJK-UHFFFAOYSA-N 354.822 4.364 0 40 FIAB CC(C)[C@@H](SC1=Nc2ccccc2CS1)C(=O)NCc1cccnc1 58192864 LYEIHMVUAJQBQI-QGZVFWFLSA-N 371.531 4.390 0 40 FIAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccccc1Cl 36394829 LHXUAZQWOWCRPU-UHFFFAOYSA-N 363.866 4.309 0 40 FIAB COc1ccc(Cn2nccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 28580674 YZGZZUOAMWXXDZ-UHFFFAOYSA-N 363.461 4.490 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)CNC[C@H](O)c1ccccc1 3339019 LNZPRRDDFWZSLE-FQEVSTJZSA-N 354.494 4.195 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)o1 12796097 KYUQLKMFULMQMD-NLRBGTRBSA-N 363.483 4.060 0 40 FIAB COc1ccc(-c2cc(C)nc(SCc3ccc(C(=O)O)cc3)n2)cc1 20529988 HWBCJMUYYFPWQE-UHFFFAOYSA-N 366.442 4.451 0 40 FIAB Cc1cccc(OCc2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)o2)c1 48325787 ZIBITUNORIWTKN-GFCCVEGCSA-N 374.466 4.491 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1 12856872 ITLBBUGGYTYTFV-UHFFFAOYSA-N 369.484 4.133 0 40 FIAB O=C(CCCSc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)n1 12942046 RMVCFUWHZYMLFY-UHFFFAOYSA-N 356.426 4.122 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)n2)cc1 13113416 NBVRMBSHQVRMAU-QLFBSQMISA-N 358.511 4.050 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(Br)ccc2Cl)c1 5174217 IEQJDXTZGQWSMT-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccccc1)SCC(O)=N2 5769760 BXEUNNJPSJCGFG-QGZVFWFLSA-N 357.479 4.496 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1csc(-c2ccc(F)cc2)n1 15810171 OVOLALSVLJFLIE-UHFFFAOYSA-N 370.405 4.363 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc(C)cc2C)c1 7717365 MCIUNIFCXWSRLY-FQEVSTJZSA-N 368.477 4.096 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(COC(=O)C[C@@H]2C=CCC2)cs1 7938205 YMDBXNTVQRYCBP-OAHLLOKOSA-N 356.447 4.227 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)Nc3c(F)cccc3F)ccc2c1 7926583 QWNKOIPYKFZWPU-UHFFFAOYSA-N 370.399 4.197 0 40 FIAB CCOC(=O)c1sc(NC(=O)Nc2cccc3ccccc23)nc1C 28579399 WVVQGNXLXLSCMI-UHFFFAOYSA-N 355.419 4.425 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)c1 8355058 UTGUWGXUVDUZDK-NSHDSACASA-N 368.260 4.431 0 40 FIAB CCC(=O)[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C 64033477 KKGFLVSEDZXXOE-UQBPGWFLSA-N 368.410 4.392 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(CCCN2CCCC2)CC1 84387758 FFOAZAJRQKLEML-UHFFFAOYSA-N 368.443 4.434 0 40 FIAB O=C(N[C@@H](CCO)c1cccs1)c1ccc(-c2ccc(F)cc2)s1 84436982 ZXERTZWVBVOBHD-AWEZNQCLSA-N 361.463 4.469 0 40 FIAB CCC1=NO[C@H](c2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)[nH]2)C1 78807292 WMKZEZINDXNJTQ-ZDUSSCGKSA-N 357.410 4.327 0 40 FIAB c1coc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4o3)o2)c1 84600290 BVXNYVHZSHRYIF-AWEZNQCLSA-N 350.378 4.198 0 40 FIAB C[S@@](=O)C[C@@H](NCc1csc(-c2ccccc2F)n1)c1ccccc1 95462653 CJZPEUYADWFWQQ-CJAUYULYSA-N 374.506 4.159 0 40 FIAB COc1ccc(C)cc1CN(C)C(=O)c1sc(-c2ccccn2)nc1C 9918835 WKGGDQPOTKQADU-UHFFFAOYSA-N 367.474 4.103 0 40 FIAB COc1cc(Cl)cc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 550445123 YHUAQPBSHBXPIC-UHFFFAOYSA-N 374.799 4.115 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1C(F)(F)F 20894264 FIQNHTBHTUADTN-UHFFFAOYSA-N 367.352 4.388 0 40 FIAB CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc12 409012972 SBNGTSPRKRAZPL-XMHGGMMESA-N 358.397 4.336 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219069975 YHMLDGBZJJYTNF-WMZOPIPTSA-N 353.462 4.489 0 40 FIAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCCCCC1 71326429 JPNMZXIRVMDERE-UHFFFAOYSA-N 350.875 4.260 0 40 FIAB CCOC(=O)COc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586233 QBRAMNHDCSERRO-UHFFFAOYSA-N 364.353 4.148 0 40 FIAB biogenic Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2OC(C)C)cc1 72211997 JYDYVOITVXVHOS-LJQANCHMSA-N 374.506 4.093 0 40 FIAB COc1ccc(-c2c(C(=O)O)sc3c2NC(=O)C[C@@H]3C(F)(F)F)cc1 66089640 IJMIGCXBPYLRNM-VIFPVBQESA-N 371.336 4.110 0 40 FIAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 216242632 HEHICHVATLIJRL-INIZCTEOSA-N 355.478 4.419 0 40 FIAB COc1ccc(-c2noc([C@H]3CCN(Cc4ccccc4Cl)C3)n2)cc1 72369918 GRTWBYWJLCFBMD-INIZCTEOSA-N 369.852 4.388 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)NCc2cccc3ccccc23)cc1 222897671 VIUPSNAUPKDTQM-UHFFFAOYSA-N 355.441 4.323 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 224780351 OXOGMFTUKRXJGG-CQSZACIVSA-N 353.447 4.228 0 40 FIAB Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1N1CCCC1=O 225309564 AIIQJUIFHKAQNZ-UHFFFAOYSA-N 356.853 4.347 0 40 FIAB C[C@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccc(F)cc1 224943297 FCHLKOWCVDTNHW-MRXNPFEDSA-N 351.421 4.353 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C 225835628 IAIVVLPGSJKUDL-GOSISDBHSA-N 367.489 4.145 0 40 FIAB O=C(c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12)N1CCCCC1 96154770 MXLLWPJJYOHZKH-UHFFFAOYSA-N 370.456 4.418 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OC(C)C)OCC[C@@]31C2 257259954 LATIOAGSBWWTRS-CSSXWCHRSA-N 371.521 4.492 0 40 FIAB CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2 112670157 WAPDUFRNAKXMNX-UHFFFAOYSA-N 359.473 4.409 0 40 FIAB CCCC(CCC)N1CCOC[C@@](O)(COc2cc(C)cc(C)c2C)C1 585282463 KQMALHDSPQCBQR-JOCHJYFZSA-N 363.542 4.023 0 40 FIAB CN(C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)C(C1CC1)C1CC1 50682331 GOWMEXHFYKWFEW-UHFFFAOYSA-N 374.282 4.100 0 40 FIAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 596614887 YNMNWXYKLQPQBO-KRWDZBQOSA-N 370.301 4.409 0 40 FIAB NC(=O)CCc1cc(Cl)c(OCc2ccccc2)c(Br)c1 226342036 XXVNXVFMSGZULF-UHFFFAOYSA-N 368.658 4.099 0 40 FIAB OCc1cc(Br)ccc1OCc1ccc(Br)cc1 5468173 VSKCJQNQPBQLRK-UHFFFAOYSA-N 372.056 4.283 0 40 FIAB COc1ncccc1CNC(=O)CSc1cccc2cccc(Cl)c12 30307563 GXMKMYAFDJNNQL-UHFFFAOYSA-N 372.877 4.305 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2noc(C)n2)cc1C 1428886 UYWRUOCUDREJFI-UHFFFAOYSA-N 357.797 4.268 0 40 FIAB O=C(c1ccccc1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120461 DOJALCPNXVOLKR-UHFFFAOYSA-N 364.392 4.451 0 40 FIAB CSc1cccc(-c2nnc(NC(=O)c3ccc(Cl)s3)o2)c1 4585592 XNDXSESZNZQOKB-UHFFFAOYSA-N 351.840 4.426 0 40 FIAB Cc1cccc(C)c1NC(=O)CCc1csc(NC(=O)c2ccco2)n1 11835304 FRUHZCJJDDYFFM-UHFFFAOYSA-N 369.446 4.177 0 40 FIAB Cc1ccc(Cn2ccn3nc(-c4ccc(Cl)cc4)cc3c2=O)c(C)c1 12414778 ZSYBNPXEXHKNFB-UHFFFAOYSA-N 363.848 4.482 0 40 FIAB COc1ccc2nc(-c3ccc(NC(=O)Nc4cccs4)cc3)cn2n1 13710283 FDKQUBQFSBVRFT-UHFFFAOYSA-N 365.418 4.110 0 40 FIAB Cn1cc([C@@H]2CCCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)cn1 1775966341 YZXCJMMRURKPLN-HXUWFJFHSA-N 374.488 4.099 0 40 FIAB CC(=O)c1cccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)c1 49004530 KDWRFPLQAQYJOP-UHFFFAOYSA-N 374.444 4.120 0 40 FIAB CCn1c(-c2ccc(OC(C)=O)cc2)c(C)c2cc(OC(C)=O)ccc21 538547 KSZGVNZSUJHOJA-UHFFFAOYSA-N 351.402 4.487 0 40 FIAB biogenic,investigational CCn1c(SCCCOc2ccc(C=O)cc2)nnc1-c1ccccc1 8731792 SSQGNRSRKVMQAI-UHFFFAOYSA-N 367.474 4.339 0 40 FIAB Cc1nc2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)cc2s1 40103266 RPZWNGPZAMTDSE-CQSZACIVSA-N 360.508 4.091 0 40 FIAB COC(=O)N1CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 40157616 KOAKNHXOUWDNHN-UHFFFAOYSA-N 364.323 4.087 0 40 FIAB Cc1c(Cl)ccc2c1NC(=O)[C@]2(O)CC(=O)c1cccc2ccccc12 623230 GAKDMVPYWBCLCG-NRFANRHFSA-N 365.816 4.214 0 40 FIAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(Br)cc3)ccc12 851402 OIGKQTFVCBYVTJ-UHFFFAOYSA-N 359.175 4.083 0 40 FIAB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1ncnc2sc3c(c12)CCC3 933069 PSSADOPBGXVUMR-VXGBXAGGSA-N 361.536 4.062 0 40 FIAB O=CNc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccccc2)cs1 1404990 FTKAEEIBJVMVGZ-UHFFFAOYSA-N 364.405 4.370 0 40 FIAB CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](O)c1ccccc1 2319897 MLFXDCMKDYVWBM-OWJWWREXSA-N 366.222 4.013 0 40 FIAB Cc1ccc(OCn2ccc(C(=O)Nc3ccccc3Cl)n2)c(C)c1 2796591 ZXEKZELFYLBKHE-UHFFFAOYSA-N 355.825 4.442 0 40 FIAB CCOC(=O)c1cc2cc(CC(=O)c3ccc(OCC)cc3O)ccc2o1 3186991 XFPJVBFRCJUGLX-UHFFFAOYSA-N 368.385 4.139 0 40 FIAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)O)CCCC3 3234295 RYMHAEFPTXNFHW-UHFFFAOYSA-N 358.434 4.258 0 40 FIAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@H]1COc2ccccc2O1 4224200 HJNRCXRPQGUNJV-MRXNPFEDSA-N 362.410 4.228 0 40 FIAB Fc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 4313109 BEAYBBLBCCHMOC-UHFFFAOYSA-N 366.421 4.413 0 40 FIAB Cc1cccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)c1 4359751 RWXSIPIVACWWSM-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1 4883422 TXKYRDMQRWROAR-SEJPIABJSA-N 352.453 4.141 0 40 FIAB O=C(CCn1c(=O)sc2ccccc21)Nc1cccc(C(F)(F)F)c1 5000826 ISJAMXZPEWXZNX-UHFFFAOYSA-N 366.364 4.111 0 40 FIAB Cc1sc2nc(-c3cccnc3)nc(NCCCn3ccnc3)c2c1C 5903316 XFRWKQZROOJYJJ-UHFFFAOYSA-N 364.478 4.069 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 6473387 WBMFJUIOTJNFSY-UHFFFAOYSA-N 366.442 4.466 0 40 FIAB COC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1C 7504807 LMHWITWDBNITRS-UHFFFAOYSA-N 352.434 4.024 0 40 FIAB Cc1cc(C)cc(-n2nnnc2SCc2ncc(-c3ccccc3)o2)c1 7713550 UKKAYUBCJZJCLL-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(OC(F)F)cc1 7957455 WFWHXMBOZQSQIO-UHFFFAOYSA-N 365.424 4.329 0 40 FIAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)c1 8185152 JPJRDRVFBFLLBB-UHFFFAOYSA-N 370.518 4.345 0 40 FIAB NC(=O)COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1 8192635 QKVPZRLLSHGKII-UHFFFAOYSA-N 354.409 4.433 0 40 FIAB O=c1[nH]c(CN2CCc3sccc3[C@H]2c2ccccc2)nc2ccccc12 8216184 URDMBSKPDZSVAY-OAQYLSRUSA-N 373.481 4.132 0 40 FIAB COc1ccccc1Nc1nc(N)nc(CSc2cc(C)ccc2C)n1 8528416 JRZZHCRGQMSALZ-UHFFFAOYSA-N 367.478 4.115 0 40 FIAB CC1=Nc2c([nH]c(=S)[nH]c2=O)N[C@@H](c2c(Cl)cccc2Cl)C1 8653286 NGRSGVITJHAZFF-SECBINFHSA-N 355.250 4.389 0 40 FIAB O=C(CNc1ccccc1)c1ccc(-n2nncc2-c2cccs2)cc1 8779597 PIZTVXCNMOUGEZ-UHFFFAOYSA-N 360.442 4.291 0 40 FIAB COc1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 9315736 DERHOENYUKCMRL-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB O=C(CNC(=O)Nc1ccc(F)cc1F)Nc1cc(Cl)ccc1Cl 9376985 GZXMEFBRTWFSNI-UHFFFAOYSA-N 374.174 4.032 0 40 FIAB O=C(Nc1ccnn1Cc1ccco1)C(c1ccccc1)c1ccccc1 9575526 IBWPRYXRKCPJGG-UHFFFAOYSA-N 357.413 4.295 0 40 FIAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 10674694 UHPCDFGFJUENEU-HNNXBMFYSA-N 355.459 4.278 0 40 FIAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C)C(=O)NC2CCCCC2)c1 10878240 BCEHRZIIGCVSIK-INIZCTEOSA-N 357.523 4.419 0 40 FIAB Cc1cc(C)n(C[C@@H](C)C(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)n1 12181199 HFTQNSKJEYXYGC-XMKUNMAOSA-N 369.484 4.212 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc(-c2ccccc2)on1 12236658 GUHOLMWVOWVYCC-UHFFFAOYSA-N 360.369 4.057 0 40 FIAB COc1ccccc1C1(O)CCN(Cc2oc3ccccc3c2C)CC1 12328434 NAHLBLPCXLRGDK-UHFFFAOYSA-N 351.446 4.233 0 40 FIAB O[C@H](CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1 12543063 YXFCSXMGVIFGPO-LJQANCHMSA-N 374.469 4.155 0 40 FIAB O=C(NCCc1ccccn1)c1cccnc1Sc1ccc(Cl)cc1 12753080 UJLUJXVVQOJYNR-UHFFFAOYSA-N 369.877 4.254 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c1 12794053 RIDRLNGWYPWVND-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C)cc(C)c2)cc1 12794057 AFDRKIGJUPZYCZ-UHFFFAOYSA-N 352.463 4.172 0 40 FIAB Cc1ccc(Oc2ccc(OS(=O)(=O)c3c(C)noc3C)cc2)cc1 12794813 DTPGYVBZRUWLOK-UHFFFAOYSA-N 359.403 4.160 0 40 FIAB Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 13135368 HPYHCRWCOOUIFN-UHFFFAOYSA-N 374.462 4.205 0 40 FIAB CCOC(=O)c1c(NC(=O)NC2CCCCC2)sc2c1CCCC2 13956792 GWUKXOCXHNYNKU-UHFFFAOYSA-N 350.484 4.258 0 40 FIAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(N2CCOCC2)cc1 14399974 VZUSDIJKOZCIFW-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB COc1ccc(CCC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 16967337 NUZUXJBIWRRMRN-HXUWFJFHSA-N 365.477 4.408 0 40 FIAB CCCn1c(CN(Cc2ccccn2)C[C@@H]2CCCO2)nc2ccccc21 19526000 PKAXSLWVTGFPSL-IBGZPJMESA-N 364.493 4.023 0 40 FIAB O=C(COc1ccc(F)cc1Cl)NCc1cccc(C(F)(F)F)c1 19597955 MNUKVPQCIXMMKB-UHFFFAOYSA-N 361.722 4.193 0 40 FIAB CCCCc1ccc(N=c2c(C(=O)O)c[nH]c3ccc(OC)cc23)cc1 19793867 HFXBACGAWAPBBV-UHFFFAOYSA-N 350.418 4.450 0 40 FIAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 20104434 XODWNTYBXGAJHU-OAQYLSRUSA-N 369.461 4.343 0 40 FIAB COc1ccccc1CN(C)C(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20104825 KGVBTOQOODDKCY-SFHVURJKSA-N 366.505 4.199 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1cccs1 25776858 WQCIJGUZGFWVLU-LJQANCHMSA-N 350.487 4.448 0 40 FIAB O=C(NC1CCN(Cc2ccccc2C(F)(F)F)CC1)c1ccccc1 25828042 RHMUJFAJNYIFDL-UHFFFAOYSA-N 362.395 4.100 0 40 FIAB C[C@@]1(c2ccco2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O 25857143 HZOUZEWIJFGNIC-KRWDZBQOSA-N 360.822 4.115 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NC[C@@H](c1cccs1)N1CCCCC1 27580687 QGWSYRJDEPKJHE-KRWDZBQOSA-N 362.926 4.287 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)no2)cc1C 27582500 FBWCMCVECDOEFQ-UHFFFAOYSA-N 356.451 4.261 0 40 FIAB O=C(COc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663870 HERTXYUJTAOSLU-HXUWFJFHSA-N 372.896 4.062 0 40 FIAB Cc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)Cc2ccccc2)cc1 28245842 SBZVBABRUJOHKC-UHFFFAOYSA-N 359.351 4.381 0 40 FIAB C[C@H](N[C@H](C)c1ccccc1Cl)c1nc(N)nc(Nc2ccccc2)n1 28792461 QSBCTIZMIITUAE-OLZOCXBDSA-N 368.872 4.263 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2cc1C 36386107 UGICOPXFTGTHBJ-IYJAJMOOSA-N 371.477 4.076 0 40 FIAB CCN(CC)c1cc(-n2nc(C(F)(F)F)cc2-c2ccccc2)ncn1 39551138 MBYPCZILIPGYJL-UHFFFAOYSA-N 361.371 4.194 0 40 FIAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cnc(-c2ccccc2)s1 40106581 QXQDUFGILFMFPL-UHFFFAOYSA-N 365.414 4.019 0 40 FIAB CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(C)cc1Br 41095071 VKGLYTKKHJOPSW-UHFFFAOYSA-N 374.344 4.409 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 43739992 CRXFWQDKXHCLLP-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(-c2ccno2)cs1 44902235 HISBPTWWZQKPLT-UHFFFAOYSA-N 374.365 4.223 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ncc(C(C)(C)C)o1 45958305 BOFCNYSPMVCBIE-UHFFFAOYSA-N 370.280 4.349 0 40 FIAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc(-c2ccccc2)no1 48272082 WHTMHSQFUUPOHQ-UHFFFAOYSA-N 364.298 4.430 0 40 FIAB CCN(CC)c1ccc(NC(=O)N(Cc2ccccc2OC)C2CC2)cn1 48343030 NERJOWSCZJLLSE-UHFFFAOYSA-N 368.481 4.133 0 40 FIAB C[C@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccc(C(F)(F)F)cc1 57806730 ORJBEEPHHKBUHM-CQSZACIVSA-N 362.395 4.115 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1 58201619 QXIFGOJXLSRTAE-INIZCTEOSA-N 353.466 4.094 0 40 FIAB CC1(C)Oc2ccc(NC(=O)/C=C/c3c(Cl)nc4ccccn34)cc2O1 58345196 ACLPPIYAHDIYDG-VQHVLOKHSA-N 369.808 4.147 0 40 FIAB COC(=O)c1cc(OCc2ccc(C)cc2C)c2cc(OC)ccc2n1 65033235 WQOYJBNVYBTSDT-UHFFFAOYSA-N 351.402 4.226 0 40 FIAB Cc1cccc(C)c1-n1nnnc1[C@@H](NCc1ccccc1)c1ccccc1 71405251 QWMCUJFMOIZKDY-NRFANRHFSA-N 369.472 4.158 0 40 FIAB c1cnc(Nc2cccc([C@H]3CCCN(CC4CCCCC4)C3)n2)nc1 72376014 LTTOKXJSKYAUDR-SFHVURJKSA-N 351.498 4.375 0 40 FIAB C[C@@H](Sc1ccc(Cl)nn1)C(=O)N1CCC[C@@H]1c1cccs1 73930900 ONOBJJWLQMLSCQ-GHMZBOCLSA-N 353.900 4.036 0 40 FIAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccccc3F)o2)n1 79476949 XERDNELTJODWMQ-UHFFFAOYSA-N 357.410 4.370 0 40 FIAB CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 89942077 FNNVYISECAMQED-CWTRNNRKSA-N 370.440 4.083 0 40 FIAB CSc1ccc(CCC(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 207989508 XOOLLOJQXDTSIQ-IBGZPJMESA-N 354.519 4.126 0 40 FIAB O=S(=O)(c1cccc(Cl)c1)N1CCS[C@@H](c2ccccc2)CC1 208044434 SAXFWVLXONZGFG-QGZVFWFLSA-N 367.923 4.209 0 40 FIAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)c(C)c1 219205263 RNGZROXTMSFERU-FQEVSTJZSA-N 350.462 4.311 0 40 FIAB Fc1ccc(CNC(=S)Nc2ncc(Cl)cc2Br)cc1 223945492 WYGAWDKMUDYEKS-UHFFFAOYSA-N 374.666 4.123 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)Cc1ccccc1 224044149 LWISFNGIOAKMAR-QGZVFWFLSA-N 351.490 4.470 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cccc3c2CCCC3)c(C)c1 224583185 AEFOPCRIDGXFOY-UHFFFAOYSA-N 367.445 4.068 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1 225284001 HRIYCIZFEALADJ-SNVBAGLBSA-N 371.915 4.346 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)COc2ccccc2)c1 225325603 LJDGNOAHBPIXDK-ZWKOTPCHSA-N 355.478 4.469 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 247519919 XANOCBFWVYLZRM-KBRIMQKVSA-N 354.450 4.414 0 40 FIAB CCCn1ncc(CN(Cc2ccccc2)Cc2ccccc2CO)c1C 257212999 CFTWRFOBUDMBOI-UHFFFAOYSA-N 363.505 4.296 0 40 FIAB O=C(c1ccccc1F)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390832296 YMFBAFHXQPQSHV-UHFFFAOYSA-N 369.362 4.126 0 40 FIAB Cc1ccc(F)cc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 408725596 MMPFHTUHLACGIX-LZYBPNLTSA-N 360.385 4.379 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2F)cc1 408840605 DPGFTYCSDRFTPV-XSFVSMFZSA-N 357.388 4.364 0 40 FIAB CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O 409084392 CSWVXTDAJKVRHH-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB O=C(Nc1nc(O)c2ccccc2n1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 521332898 SLYHYSVDXFLCCA-MSOLQXFVSA-N 355.397 4.231 0 40 FIAB Oc1cc(C(F)(F)F)nc(SCc2ccccc2Br)n1 599124471 UJKNVLYDXXSKIL-UHFFFAOYSA-N 365.174 4.256 0 40 FIAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCC[C@H](CCF)C1 664426386 SYMKSQFFNXVUFF-QGZVFWFLSA-N 372.488 4.277 0 40 FIAB Fc1c(Nc2ccc(Br)cc2)ncnc1C1CCOCC1 1888857145 UOPCHFBEAFXDNT-UHFFFAOYSA-N 352.207 4.016 0 40 FIAB Clc1cnccc1OCC1CCN(Cc2csc(C3CC3)n2)CC1 1889111329 LYLAQZIBRILOBT-UHFFFAOYSA-N 363.914 4.360 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1OCC 936416 OEHNRXBXRFSKKV-ZRDIBKRKSA-N 353.418 4.339 0 40 FIAB CC(C)(C)c1nc(SCC(=O)Nc2nccs2)c2ccccc2n1 1342530 SIMRYDLWYAIZLY-UHFFFAOYSA-N 358.492 4.115 0 40 FIAB C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2-c2ccccc2)C1=O 1361779 AADKNDFRFFAYNF-INIZCTEOSA-N 372.424 4.106 0 40 FIAB Cc1c(CNC2CCCCC2)c(=O)oc2c3c4c(cc12)CCCN4CCC3 2109362 NOAUKKWYFZVKBK-UHFFFAOYSA-N 366.505 4.223 0 40 FIAB biogenic O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1nc2ccccc2s1 2641599 ZFUCCFJAOWBQPN-UHFFFAOYSA-N 362.823 4.314 0 40 FIAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1 2644474 GBZQBFAVPCOZOD-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB COc1ccc(-c2csc(NC(=O)CCc3ccccc3OC)n2)cc1 2646099 NYAALIAUEHVGQR-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 3359621 AXYVQFQACYWRBP-UHFFFAOYSA-N 365.882 4.266 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 4037318 WUZIGDMMOPNFCZ-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2ccccc2F)cc1 4120519 QAROWNIYVZSPIQ-UHFFFAOYSA-N 372.465 4.358 0 40 FIAB CC(C)c1nnc(NC(=O)[C@H](C)Sc2nc3ccccc3s2)s1 4174476 LJAOIPHWHADPJE-VIFPVBQESA-N 364.521 4.391 0 40 FIAB Cc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1 4205608 AZLNHYOVLUPYEJ-UHFFFAOYSA-N 353.447 4.355 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(F)c1 4305478 QDLGDFHMXLCUEN-IBGZPJMESA-N 366.461 4.421 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(C)cc1 4854545 KSXGLYCUFZUDRA-NRFANRHFSA-N 361.445 4.442 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1Cl 5270431 DWGYRDUFNLJHGE-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Cc1ccc(NC(=S)N2CCc3cc4c(cc3C2)OCCCO4)c(C)c1 5350453 QGEXFXARNIQXIL-UHFFFAOYSA-N 368.502 4.220 0 40 FIAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccc(Cl)cn1 5533541 ZCHKXTVNQGQNGO-QMMMGPOBSA-N 373.623 4.226 0 40 FIAB CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O 6306597 ZGAQMUNMGQVWMJ-DHDCSXOGSA-N 357.387 4.090 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 6649590 IRJBYMPECPYSDF-SFHVURJKSA-N 374.868 4.050 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 7525638 JWWZXQZDFOOKIP-HNNXBMFYSA-N 369.490 4.240 0 40 FIAB CCNC1=NN=C(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)CS1 7780120 BOBHFTGXNVIVDB-UHFFFAOYSA-N 352.438 4.390 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O 7928186 IRCUNDFEGDVOQD-JXFKEZNVSA-N 364.489 4.042 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)N2CC[C@@H]3CCCC[C@H]3C2)no1 8368651 PMZVYVKZXPUZRF-HOTGVXAUSA-N 371.506 4.323 0 40 FIAB CCn1c(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1-c1ccco1 8484884 LWGGBFFHGFRWAC-CYBMUJFWSA-N 367.474 4.410 0 40 FIAB Cc1ccc(NC(=O)Nc2nnc(COc3cccc(C)c3)s2)cc1 8767903 FJZZSOYXRCCNLM-UHFFFAOYSA-N 354.435 4.378 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3C)cc21 8959423 UZDGWMFVLPMQDS-UHFFFAOYSA-N 352.434 4.019 0 40 FIAB COc1ccc2cc(COC(=O)c3cccnc3Cl)c(Cl)nc2c1 10802431 GSDIBWTVDSNTMY-UHFFFAOYSA-N 363.200 4.302 0 40 FIAB COc1ccccc1NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 11009377 RZYMXLDZQHYFLV-UHFFFAOYSA-N 351.362 4.185 0 40 FIAB CCNc1nc(S[C@@H](C)C(=O)N(C)C2CCCCC2)nc2ccccc12 11109669 JGZLGHJKHOJMNY-AWEZNQCLSA-N 372.538 4.333 0 40 FIAB Cc1ccc(-c2cnc(S[C@H]3CCOC3=O)n2-c2ccccc2F)cc1 12604153 KDCRKUBXIOSJPA-SFHVURJKSA-N 368.433 4.394 0 40 FIAB O=C(NCc1cccc(Cl)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 12816581 GLHZYBLYRKFNTM-UHFFFAOYSA-N 369.827 4.084 0 40 FIAB Cc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 12922708 WERVTTMCNXPLHG-UHFFFAOYSA-N 356.372 4.177 0 40 FIAB COc1cc(CNC(=O)c2occc2C)ccc1OCc1ccccc1 12971599 JZXZUXCOCIGMLG-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB Cc1sc2ncn(C[C@@H](O)c3ccccc3)c(=O)c2c1-c1ccccc1 14017415 HVNGQWJBMCKDEY-QGZVFWFLSA-N 362.454 4.167 0 40 FIAB COc1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1Cl 15350219 UFKHRCGPROBICQ-UHFFFAOYSA-N 372.896 4.242 0 40 FIAB Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCC(C)CC2)o1 15860323 OYCFWBBRTOSQHH-IBGZPJMESA-N 374.912 4.373 0 40 FIAB CCOc1cc(C(=O)Nc2ccccc2C)cc(Br)c1OC 16028974 CGIYARMIMFFSSD-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 16097187 FWWFKGLIZKQJDH-UHFFFAOYSA-N 363.438 4.261 0 40 FIAB O=C(OCC1CCCCC1)c1nccnc1-c1nc2ccccc2s1 19233848 XNJBOKBTSPHIDH-UHFFFAOYSA-N 353.447 4.490 0 40 FIAB CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3)CC[C@H]21 19499199 FIUHJVVEGODFPD-YPAWHYETSA-N 366.480 4.052 0 40 FIAB CCc1cc(C(=O)N(C)[C@H](CC)c2ccc(F)cc2)c2c(C)noc2n1 19714518 RMXSUVQLKCXFPS-QGZVFWFLSA-N 355.413 4.456 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cncn1CCCC(C)(C)CO 19719693 HXWMPNYZFLCDDM-UHFFFAOYSA-N 370.472 4.290 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1C 20456989 DVNUQLKBPDFXRP-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB Cc1cc(NC(=O)c2cccs2)cc(C)c1I 21595527 LLFCIRDVVNTCCJ-UHFFFAOYSA-N 357.216 4.222 0 40 FIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccoc1 22182274 WWQPPUMJWLPSIK-UHFFFAOYSA-N 364.279 4.396 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Oc1cc2ccccc2cc1C(=O)OC 24042309 RWOCQMYUVXPYMI-IBGZPJMESA-N 364.397 4.389 0 40 FIAB CCC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)n2CC(C)C)cc1 26051382 MBPAVWKNCUGXPJ-UHFFFAOYSA-N 373.522 4.479 0 40 FIAB COc1ccc(CCNC(=O)c2oc3cc(C)cc(C)c3c2C)cc1OC 27994681 GDNBYBCEDCHAAP-UHFFFAOYSA-N 367.445 4.348 0 40 FIAB CCCOc1ccc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1 28189594 YNQQMMVJORYAMH-UHFFFAOYSA-N 371.462 4.249 0 40 FIAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)n1cc(Br)cn1 28224159 XHGYMRQCEBHHDA-ZETCQYMHSA-N 363.042 4.152 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)cc1OC 32678988 NXLXWKSCUJSUDG-OAHLLOKOSA-N 357.450 4.153 0 40 FIAB CSCC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)no1 35291179 XLEFCHCFVJPSSX-KRWDZBQOSA-N 367.474 4.269 0 40 FIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1O 35592591 ZRILPWOTPZRGGR-UHFFFAOYSA-N 366.653 4.462 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1c(F)cccc1F 37170360 ARAKTYQXLUAVPO-NSHDSACASA-N 351.374 4.093 0 40 FIAB Cc1sc2nc(SCc3cc(-c4ccco4)on3)nc(N)c2c1C 37170682 BJQDNJKXDRUKDM-UHFFFAOYSA-N 358.448 4.431 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCCC1=O 39995640 LCMJKNXQIBFJNL-UHFFFAOYSA-N 361.401 4.029 0 40 FIAB CCC(CC)N(Cn1nc(Cc2ccc(OC)cc2)oc1=S)C1CC1 40151384 MREPCFHUHDUZKC-UHFFFAOYSA-N 361.511 4.415 0 40 FIAB Cc1nc(COc2ccc(C(=O)N(C)[C@H](C)c3ccc(C)s3)cc2)no1 40155946 OPOAQCKFMLLGRF-CYBMUJFWSA-N 371.462 4.160 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CCc2ccccc21 43229614 LOIMBALKANNHOP-UHFFFAOYSA-N 364.367 4.038 0 40 FIAB Cc1ncsc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 43286690 SIDSHGBHDZGMCN-UHFFFAOYSA-N 368.414 4.039 0 40 FIAB C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 44014496 XNNKKVKOLJJGOC-ZDUSSCGKSA-N 373.403 4.084 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(Cl)c(C(N)=O)c1 44806510 HHPXTKBAABHULE-STQMWFEESA-N 373.884 4.392 0 40 FIAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2ccsc2)CC(O)=N3)c1 44904050 JTTXQNCMFWHCRU-AWEZNQCLSA-N 368.414 4.369 0 40 FIAB CCc1cc(-c2ccc(C(=O)O)o2)cc(C)c1I 45889469 DFCJDHUGPLEYJZ-UHFFFAOYSA-N 356.159 4.120 0 40 FIAB O=C(NCCCOCc1ccccc1)Nc1ccccc1N1CCCC1 48280072 ZLVQVANKPCPFLD-UHFFFAOYSA-N 353.466 4.015 0 40 FIAB O=C(NCc1cccc(Br)c1)c1cc2c(s1)CCCC2 57416270 JETQWASANLFTIT-UHFFFAOYSA-N 350.281 4.319 0 40 FIAB Cc1ccnc(NC(=O)c2cccnc2SCc2ccc(F)cc2)c1 58349208 DCAPHDGIOOTZAT-UHFFFAOYSA-N 353.422 4.469 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(NC3CC3)nc2)cc1 60563018 TZWMOOAYEZYYEZ-HXUWFJFHSA-N 365.477 4.422 0 40 FIAB O=C(c1cnc2ccccc2c1Nc1ccccc1F)N1CCSCC1 64471733 HLIZYXDQRAOIGT-UHFFFAOYSA-N 367.449 4.307 0 40 FIAB CC1=NN(c2ccc(C(=O)N3CCCc4cc(F)cc(C)c43)cc2)CC1 66786135 IEJHFDPOSSUBKY-UHFFFAOYSA-N 351.425 4.313 0 40 FIAB O=c1c2sccc2nc(SCc2ccccc2)n1Cc1ccco1 67323720 IBDGIYKCCDDTQE-UHFFFAOYSA-N 354.456 4.392 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1csc(C2CCCC2)n1 70018955 NYSRPUYIMKPUSC-SFHVURJKSA-N 355.507 4.404 0 40 FIAB CCO[C@@H]1C[C@H](NC(=O)Nc2cccc3cnccc23)C12CCCCC2 72306080 ZFVDFYCYCNJRGU-RBUKOAKNSA-N 353.466 4.484 0 40 FIAB COc1cccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)c1 72329809 GNFJAJSDQRIDJI-UHFFFAOYSA-N 368.241 4.383 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414290 IDZKTFZEQDMJLT-UHFFFAOYSA-N 362.838 4.088 0 40 FIAB Cc1nc(C2(NC(=O)Nc3ccc(N(C)C)c(C)c3)CCCCCC2)no1 75106725 STEWOESSLWUNKR-UHFFFAOYSA-N 371.485 4.124 0 40 FIAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(N2CCCCCC2)nc1 78370507 PJLHWVRYSYGAHU-CQSZACIVSA-N 369.431 4.265 0 40 FIAB COc1c(C)cnc(CN(C)C(=O)c2csc(-c3ccsc3)n2)c1C 84258040 RBKUZJUEMXFSFV-UHFFFAOYSA-N 373.503 4.164 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)c2)no1 84281551 SJZGUUNYUHXGPF-KBPBESRZSA-N 368.359 4.288 0 40 FIAB Clc1ccc([C@@H]2CN(Cc3cc(Cl)c4c(c3)OCO4)CCO2)cc1 84393655 YFHULUGOGMUBAW-KRWDZBQOSA-N 366.244 4.296 0 40 FIAB CC[C@@H](C(=O)NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1 96103728 ZYVLADLRGLHHPO-OAHLLOKOSA-N 365.399 4.089 0 40 FIAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)C1 103312885 MAJFOSPBNFAXQM-OTWHNJEPSA-N 350.506 4.259 0 40 FIAB CNc1snc(C)c1C(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 110971016 XQDCGMKAQNCSHC-UHFFFAOYSA-N 372.469 4.133 0 40 FIAB O=C(c1c(F)cccc1Cl)N(Cc1cccs1)C1CCOCC1 206673337 BTFGTHHCILKJPK-UHFFFAOYSA-N 353.846 4.362 0 40 FIAB Cc1nc2ccc(C(=O)NC[C@@H]3CCCN3c3ccccc3)cc2s1 207990103 RSWGMPWIUWMLHC-KRWDZBQOSA-N 351.475 4.004 0 40 FIAB CCc1nc(S/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)O)n[nH]1 213408609 TXDNJAQKHSCHRG-OQLLNIDSSA-N 361.467 4.025 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218925049 YPKUNYRJVQZYKM-INIZCTEOSA-N 361.869 4.228 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccccc1C)CC(C)(C)O2 219289296 IJGHJLJWMHFFIG-SJLPKXTDSA-N 353.462 4.489 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 219376411 BFAPSDDVXHTGES-AZUAARDMSA-N 355.478 4.353 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCC1=CCCCC1 222751547 ZJOLUQNCCPQZHS-GOSISDBHSA-N 356.510 4.211 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222823407 LIPXAMLSILCIQY-MOPGFXCFSA-N 354.523 4.379 0 40 FIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(CC)c1C 222959915 LUMWNAAYRKZFKM-OALUTQOASA-N 356.539 4.292 0 40 FIAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2cccc(Cl)c2)cc1C 223445408 VUNNMFAIIVOZQY-HNNXBMFYSA-N 351.899 4.446 0 40 FIAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1Cl 223775761 YAPRFSQMDSJRSI-UHFFFAOYSA-N 371.824 4.061 0 40 FIAB CCc1ccc(OCC(=O)NCC2CCCCC2)c(Br)c1 224249047 YGWYZZSQVDNXIZ-UHFFFAOYSA-N 354.288 4.087 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 225196555 BWNPIOXIMMEKGB-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1cc2cc(F)ccc2s1 225620200 NHOBBHMDPBWEBH-LJQANCHMSA-N 370.449 4.333 0 40 FIAB COC(=O)c1cc(NC(=S)NC2(C3CC3)CCCC2)ccc1Cl 225861606 CGUVLMTVHJXFHI-UHFFFAOYSA-N 352.887 4.136 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cn1 225866336 WLLMRZVLQFOXFC-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB Cc1ccc(N2CCOCC2)c(NCc2ccc(Br)cc2)c1 226240614 LCALMQDIZSTJKS-UHFFFAOYSA-N 361.283 4.206 0 40 FIAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 257269731 MRDRISLCYROUJF-GOSISDBHSA-N 369.513 4.329 0 40 FIAB COc1cc(NC(=O)N2CC(Cc3ccc(C)cc3)C2)cc(Cl)c1OC 667288005 WZRMIKSMEUWVIH-UHFFFAOYSA-N 374.868 4.372 0 40 FIAB C[C@@]1(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)CC=CCC1 1565545240 XYMZRKBFEUUJQN-JOCHJYFZSA-N 367.537 4.033 0 40 FIAB CCOc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2C)cc1 646347 YLKJNQVMQICWKH-UHFFFAOYSA-N 372.490 4.013 0 40 FIAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 706225 GEBIRUNRZMJRLW-OAQYLSRUSA-N 358.397 4.495 0 40 FIAB CC(C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952256 WWARBESHMUKGNC-AWEZNQCLSA-N 352.386 4.179 0 40 FIAB biogenic CCCc1nc(SCC(=O)N2CCCCC2)c2c(C)c(C)sc2n1 1372178 WSJNRYONIWPZMB-UHFFFAOYSA-N 363.552 4.365 0 40 FIAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1981448 IZOPZZYQNQVQMA-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB CCC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2387006 VQAFHGLNHSVMSP-CQSZACIVSA-N 353.418 4.169 0 40 FIAB Cc1cc(Br)ccc1SCC(=O)NCc1ccccc1 2644635 VTNVVGIOUGLWTB-UHFFFAOYSA-N 350.281 4.166 0 40 FIAB CCCCOc1ccc(/C=C2\N=C(c3ccc(N(C)C)cc3)OC2=O)cc1 3039187 FDHPZZWJWLKYCX-HKWRFOASSA-N 364.445 4.276 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F 3329691 PYEWCZVHBSQZEN-UHFFFAOYSA-N 367.295 4.108 0 40 FIAB Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2)c(C)n1Cc1ccco1 3385586 JARFPKUSZMUZTK-UHFFFAOYSA-N 371.820 4.439 0 40 FIAB CCc1nnc(NC(=O)c2ccccc2SCc2c(C)noc2C)s1 3405556 NZODWWAXGORXNF-UHFFFAOYSA-N 374.491 4.250 0 40 FIAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NCc1ccccc1 4355554 VUDKCERYEHSISR-UHFFFAOYSA-N 369.877 4.206 0 40 FIAB CCCCCCC1=NN(C(=O)c2ccc(C)cc2)[C@](O)(C(F)(F)F)C1 4553236 ZFIDZLZFXVQDLI-QGZVFWFLSA-N 356.388 4.418 0 40 FIAB CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)C1CCC(C)CC1 5047923 UGBFKDFUCIJCEJ-XTXLOEGASA-N 353.547 4.009 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1C 6057472 BSOVYSSRMXFKEF-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CC(C)OCCCNC(=O)CSCc1c(Cl)cccc1Cl 6344960 WCNWHCXBVAHFPG-UHFFFAOYSA-N 350.311 4.158 0 40 FIAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3cccnc3)c(C)c12 6719184 LTVCLBLNDATJCE-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB CCCCC(=O)Nc1nonc1-c1ccc(OCCC)c(OCCC)c1 6811510 AFWGWMXQXAKVNH-UHFFFAOYSA-N 361.442 4.443 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(OC)c1 7112494 BCSMSJQTDIUMSZ-HXUWFJFHSA-N 364.401 4.064 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 7830526 ZHBMAFGFMZFAGZ-GFCCVEGCSA-N 374.893 4.288 0 40 FIAB CNCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8376991 GRFSJEDWMADSMT-UHFFFAOYSA-N 353.293 4.272 0 40 FIAB COc1cc(C(=O)O)cc(Br)c1OCc1ccccc1Cl 8470386 KBTQOTLUTNPDNE-UHFFFAOYSA-N 371.614 4.388 0 40 FIAB COc1ccc(-c2nc(CSc3nnnn3C3CCCC3)cs2)cc1 8544758 ZIABGOZRUZZBEK-UHFFFAOYSA-N 373.507 4.213 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc(CCNC(C)=O)cc2)cs1 8721194 WJBNGCOLUGZLOU-UHFFFAOYSA-N 367.474 4.241 0 40 FIAB COc1ccc(-n2ccnc2SCc2nc(-c3cccs3)no2)cc1 8725632 RBLXHNWURWMAAJ-UHFFFAOYSA-N 370.459 4.285 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc(C)cc3)ccc21 9137318 GMKNEPMGKSWLBT-UHFFFAOYSA-N 366.461 4.092 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1F 9335949 UUUIMDHQEIQPKV-HXUWFJFHSA-N 359.404 4.232 0 40 FIAB Cc1nc(-c2ccc(N[C@H](C(=O)N(C)C)c3ccccc3)cc2)cs1 9368710 XMACWWIKTBTKAC-IBGZPJMESA-N 351.475 4.360 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2SC(F)F)cc1 9445957 CJEDDZPLODDABV-UHFFFAOYSA-N 351.374 4.221 0 40 FIAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NCc1ccccc1F 9914922 ZYFJHPKRPDEOPM-UHFFFAOYSA-N 373.431 4.414 0 40 FIAB O=C(NCCCn1ccnc1)N1c2ccccc2Sc2ccccc21 9974926 FMBQAVFYTMTRML-UHFFFAOYSA-N 350.447 4.286 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1OC(C)C 10684349 LYEULGNQHVSFBX-HNNXBMFYSA-N 354.450 4.254 0 40 FIAB CCOCc1cc(CN2CCC(O)(c3cccc(C)c3)CC2)ccc1OC 12292825 FXBJXSHPNJKGEA-UHFFFAOYSA-N 369.505 4.024 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc2ccccc2nc1C 12903212 KJNZSCCWQGRJBF-CYBMUJFWSA-N 353.447 4.066 0 40 FIAB CCC(=O)c1cc(F)ccc1OS(=O)(=O)c1cccc2cc(C)cnc12 12930929 YHMWMGVYFNBCAP-UHFFFAOYSA-N 373.405 4.043 0 40 FIAB Cc1cc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)n(-c2ccccc2)n1 12980874 BJASNTHHTCQTOS-HNNXBMFYSA-N 368.868 4.123 0 40 FIAB CCC(CC)C(=O)N1CC[C@@H](c2nc(C3CC3)ncc2-c2ccncc2)C1 19500067 YZHLJSYXUALPBW-GOSISDBHSA-N 364.493 4.168 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1Cl 19934548 WLPCGAQUOUMJNL-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(OC)cc2)cc1 20458156 FXCIBRLPGOARGH-HNNXBMFYSA-N 359.491 4.205 0 40 FIAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)N2CCc3ccccc32)c1 23224076 VXANTTMLVIZNNO-INIZCTEOSA-N 363.486 4.251 0 40 FIAB Cc1cccc2sc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)nc12 24980032 OLKJZYZGBSTEHI-AWEZNQCLSA-N 365.458 4.134 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C)cc2)cc1OC 25613662 CXZUQUBLGJZCPV-SFHVURJKSA-N 371.502 4.468 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2Cl)c1 26379385 SXTTXMAIPVYGIF-OLZOCXBDSA-N 359.857 4.420 0 40 FIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)Cc1ccc(F)cc1 27922515 MRIAIBQGMAWSGV-UHFFFAOYSA-N 355.388 4.008 0 40 FIAB CCOc1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1OC 28328808 QOIBRKVEPCTEOI-UHFFFAOYSA-N 366.417 4.211 0 40 FIAB COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 28579234 ZNTJGOQECFZMCX-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB Nc1nc2c(s1)[C@H](c1ccccc1OCCc1ccccc1)CC(O)=N2 32088142 XKGJFNOFXQDVMJ-HNNXBMFYSA-N 365.458 4.470 0 40 FIAB COc1ccc(OC)c([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1 36357659 SRKIOYDZMGIJGT-CQSZACIVSA-N 373.478 4.274 0 40 FIAB O=C(NCCc1ccccc1)Nc1ccccc1NC(=O)c1ccsc1 38490165 NDJSYKAJHQQEDL-UHFFFAOYSA-N 365.458 4.365 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1OC(F)F 40120068 WQZURWANCKHLIV-VIFPVBQESA-N 357.303 4.066 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 48066171 GLRLBWHKOTWJET-BLXFFLACSA-N 356.397 4.285 0 40 FIAB COc1cc(CCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)cc(OC)c1 48231965 KJGUYAJGMAKYLQ-IBGZPJMESA-N 357.494 4.231 0 40 FIAB C[C@H](NCC(=O)NCCSc1ccccc1)c1ccc2ccccc2c1 49580902 HMXZOAIOVFRUSZ-KRWDZBQOSA-N 364.514 4.399 0 40 FIAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 49795420 NUESFRRYIPOUCW-CQSZACIVSA-N 371.447 4.186 0 40 FIAB CCn1c(SCc2nnc(SC)s2)nnc1-c1ccccc1C 58202394 OPDZPBYLHKJHET-UHFFFAOYSA-N 363.537 4.139 0 40 FIAB Cn1ccnc1CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)C1CC1 58228332 LYKWJZAASMCOBS-UHFFFAOYSA-N 372.881 4.002 0 40 FIAB CN(Cc1ccc2ccccc2c1)C(=O)c1cnn(-c2ccccc2F)c1 58670559 PQJRZJBNVDVVQT-UHFFFAOYSA-N 359.404 4.437 0 40 FIAB CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2cnc3ccccc3c2)cc1 70730306 WHTHXZKYPVPZFX-OAHLLOKOSA-N 361.445 4.174 0 40 FIAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1C=O 72215849 ZYOAWYUQOODUMB-SFHVURJKSA-N 367.449 4.448 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCC2)nc1 72215917 IUHWCVGVPGAVRF-LJQANCHMSA-N 351.450 4.156 0 40 FIAB Cc1cc(-n2cnnc2)cc2nc(-c3cccc(Br)c3)oc12 73639447 SDWNIOGMWABHEE-UHFFFAOYSA-N 355.195 4.146 0 40 FIAB CCN(CC(F)(F)F)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 75573778 HQLKKGTVMOVSDA-UHFFFAOYSA-N 365.399 4.301 0 40 FIAB COc1cc(NC(=O)c2ccc3c(ccn3C)c2)ccc1-n1nc(C)cc1C 79474503 AERVUJHYPDCLEH-UHFFFAOYSA-N 374.444 4.242 0 40 FIAB O=C1CCC(=O)N1C1CCC(N[C@H]2CCCC[C@@H]2C2=CCCCC2)CC1 90854798 WUBLBBMREYEIKM-TUNPWDSISA-N 358.526 4.095 0 40 FIAB CO[C@@](C)(CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1F 96123496 GRXLBTQNQMLKKK-KRWDZBQOSA-N 355.331 4.136 0 40 FIAB O=Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 107595683 HRBFIQHUCGQQTC-UHFFFAOYSA-N 361.766 4.262 0 40 FIAB CCNc1nc(S[C@H](C)c2nnc(CC(C)C)o2)nc2ccccc12 110140020 QHKUQQHAAOFVDR-GFCCVEGCSA-N 357.483 4.496 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219502671 AEHZNTXUMPFLSU-NVXWUHKLSA-N 369.461 4.190 0 40 FIAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224388124 KTHROIKMKZNSCK-SJORKVTESA-N 355.463 4.459 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCCSc2ccc(C)cc2)c1 225588181 HEEOGTQFQVRVPK-UHFFFAOYSA-N 374.531 4.250 0 40 FIAB Cc1ccc(/C=C/S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cc1 225758129 KWCOKZWVBHBRBR-DHZHZOJOSA-N 370.499 4.209 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225777698 HMIHVMLSLWVZAF-JKSUJKDBSA-N 353.462 4.219 0 40 FIAB C[C@H]1C[C@H](C)CN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)C1 227115110 KRPQJLUHWPEJQU-STQMWFEESA-N 351.372 4.009 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 251584305 BCWBJXZIKLIVCW-ZWKOTPCHSA-N 366.505 4.418 0 40 FIAB CNc1nc([C@H]2CCCN2CC2=Cc3ccccc3OC2)c2sccn12 257216035 CSUYOQLJVRZWFC-MRXNPFEDSA-N 366.490 4.050 0 40 FIAB O=C(c1cccs1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257260905 LEZCZSNRWXIUCJ-OAHLLOKOSA-N 370.449 4.486 0 40 FIAB COC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCCC1 260812482 CPYRHSSQBXDIAE-GOSISDBHSA-N 374.525 4.228 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(Cc2ccccc2)CC1 408572281 IFKNIKQNWNFJDB-WYMLVPIESA-N 372.468 4.304 0 40 FIAB COCCNC(=S)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408577838 USAPJQHPYSXMIT-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB Cc1ccc(-c2nnc(CN(C)C(=O)c3cccc(OC(C)C)c3)o2)cc1 408714345 OVCAULCPJXRYDO-UHFFFAOYSA-N 365.433 4.104 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)on1 613890170 GYENUWHLQKODCU-JYJNAYRXSA-N 364.367 4.469 0 40 FIAB Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 661494524 AGOYKHUKFFLSAC-ILZDJORESA-N 362.489 4.056 0 40 FIAB COCCN(CCN(C)C)Cc1c(Cl)cccc1Oc1ccccc1 1658006267 NYJRNXCGVBHOQK-UHFFFAOYSA-N 362.901 4.142 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1 722645 QIYNFUICJYSESB-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB Cc1ccc(Oc2ccc(N3C(=O)c4cccc(N)c4C3=O)cc2)cc1C 1435539 HMIDOPPVQIPVDA-UHFFFAOYSA-N 358.397 4.479 0 40 FIAB O=C(Nc1cccc(Cl)c1)n1c(=O)oc2cc(Br)ccc21 1437069 HGYSWQDSIMSZIJ-UHFFFAOYSA-N 367.586 4.091 0 40 FIAB CSc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 2396206 SAPIYMLZRARMJI-UHFFFAOYSA-N 364.311 4.033 0 40 FIAB Cc1sc(NC(=O)c2cc(=O)c3ccccc3o2)nc1-c1ccccc1 2659830 POLJLUQLYVWXRY-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB Cc1ccc(-n2c(SCc3ccccc3)nc3c(c2=O)SCC3)cc1 2719775 CGTXZOHULUWBTN-UHFFFAOYSA-N 366.511 4.481 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 3072867 DZXAZVPXQTXKOZ-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB Cc1ccc(CNC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)cc1 3371043 ZKMLDBXQJRQYPY-UHFFFAOYSA-N 359.425 4.135 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(C)c1 3423653 SCRKDSXHKCKWMJ-QGZVFWFLSA-N 370.880 4.448 0 40 FIAB COC(=O)c1ccc(CSc2nnc3sc4ccccc4n23)cc1 3495720 LNVBWFIVGWIALP-UHFFFAOYSA-N 355.444 4.023 0 40 FIAB O=C(OCC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 4315946 FHUUEHKCXQFXKI-UHFFFAOYSA-N 362.429 4.123 0 40 FIAB C[C@H]1CCCCN1c1nc(N2CCCC[C@@H]2C)nc(N2CCCC[C@@H]2C)n1 4460183 IRHBJWKEYATDJX-BZSNNMDCSA-N 372.561 4.008 0 40 FIAB Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc4c(c3)OCO4)nc12 4678621 NNMFWXRPSGFQMG-UHFFFAOYSA-N 351.793 4.389 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3F)s2)c1 4838544 GRFUZYSQTHMVRF-UHFFFAOYSA-N 374.466 4.460 0 40 FIAB COC(=O)c1sccc1NC(=S)N1CCC(Cc2ccccc2)CC1 4878157 DGXBAUFLFGEAOB-UHFFFAOYSA-N 374.531 4.186 0 40 FIAB CCCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 5003769 LXIXNACGWCEBMG-NBVRZTHBSA-N 356.853 4.027 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)C1CCCCC1 5373968 LGRQWKBREWVDDJ-UHFFFAOYSA-N 352.434 4.391 0 40 FIAB COc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@H](c3ccc(OC)cc3)N2N=O)cc1 5882852 KYFMXVBBZSFPFK-WZBLMQSHSA-N 368.433 4.325 0 40 FIAB Cc1ccc(C2=NC(=C(Nc3ccccc3)Nc3ccccc3)C(=O)N2)cc1 6622075 FTDAZXMHUDJABC-UHFFFAOYSA-N 368.440 4.265 0 40 FIAB O=C(O)c1cccc(CSc2nc3c(c(C(F)(F)F)n2)CCCC3)c1 6861953 XNQMKFOJIJCUQZ-UHFFFAOYSA-N 368.380 4.365 0 40 FIAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1csc(C)n1 7088134 OGZMKCUOCNJKKS-SFHVURJKSA-N 351.431 4.231 0 40 FIAB Clc1cc(CSc2nnc(-c3ccco3)o2)cc2c1OCCCO2 7112519 OJZPDIKOBDAVHF-UHFFFAOYSA-N 364.810 4.437 0 40 FIAB COc1ccccc1-c1noc(CSc2ncnc3sccc23)n1 7214276 RRVRRSZXLHHMSF-UHFFFAOYSA-N 356.432 4.042 0 40 FIAB Cc1cccc(Cn2c(CNC(=O)c3ccccc3)nc3ccccc32)c1 7545256 CMMPIWAMZBBRIZ-UHFFFAOYSA-N 355.441 4.323 0 40 FIAB CNC(=O)c1ccc(CN(C)C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 7846330 YFJYRHBTIXAKAB-LJQANCHMSA-N 372.896 4.098 0 40 FIAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1 8107602 AJIOMSUFEJYOPG-RQZCQDPDSA-N 373.405 4.079 0 40 FIAB COc1ccc(CN[C@H](C)c2ccc3c(c2)CCCC3)c(OC)c1OC 8750680 HWPFSAWYKARLIE-OAHLLOKOSA-N 355.478 4.442 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(C)c(C)c3)S2)c1 9360980 FWHZJNSLJHCGAI-KRWDZBQOSA-N 367.474 4.051 0 40 FIAB COc1cc(OC)c(NC(=O)CNc2cccc3c2CCCC3)cc1Cl 11165098 NKRCJWVVBVFICK-UHFFFAOYSA-N 374.868 4.287 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccccc3F)n2)cc1OC 11867512 WWOIMNIZKYLRPF-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC(C)C)cc1 12111465 RJCKFCPOZLTWRI-UHFFFAOYSA-N 367.405 4.175 0 40 FIAB CC(C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 12217113 KIEGYVMSBAAMQI-UHFFFAOYSA-N 352.434 4.176 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccccc2OC[C@@H]2CCCO2)on1 12366554 VMSRLQZQNNZHLO-HFSMHLIXSA-N 370.493 4.042 0 40 FIAB Cn1nccc1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 12444227 MTNYFNLMQJFFLA-UHFFFAOYSA-N 353.234 4.103 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 12534432 ZGORYJVRJKETRA-UHFFFAOYSA-N 361.373 4.389 0 40 FIAB Cc1nc(-c2nc(NCCCN(C)C)ncc2-c2ccsc2)sc1C 12751484 KBSNSGUVYFMEET-UHFFFAOYSA-N 373.551 4.309 0 40 FIAB Cc1ccccc1/C=C/c1nc(SCC(=O)NC2CCCCCC2)n[nH]1 12844795 DFEHGVSTQRJSGO-OUKQBFOZSA-N 370.522 4.215 0 40 FIAB CC(C)[C@H](NC(=O)Cc1c(F)cccc1Cl)c1nc2ccccc2[nH]1 13206483 WZYDGEMUYYDGMC-SFHVURJKSA-N 359.832 4.411 0 40 FIAB Cc1ccc(CCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 13674348 PAQPGVJEGXEFMH-UHFFFAOYSA-N 372.317 4.354 0 40 FIAB COc1ccc(O[C@H](C)C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 14188390 HFOLZWFKQUWYDK-GFCCVEGCSA-N 368.260 4.428 0 40 FIAB Cc1cc(=O)c(C(=O)Nc2ccc(C(C)C)cc2)nn1-c1ccccc1F 15580436 FBCCWBWINWBQJS-UHFFFAOYSA-N 365.408 4.056 0 40 FIAB COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4cc5ncccc5[nH]4)C3)c2c1 19563150 HDBKRSPOUSQDNJ-CQSZACIVSA-N 374.444 4.073 0 40 FIAB Cc1cccc2cc(CN(C(=O)c3cccnc3)c3ccccc3)c(=O)[nH]c12 21595162 HDHUXRMPMRJPBD-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1ccc(-n2cccn2)cc1 21796545 YCQVLPYURUGIGD-UHFFFAOYSA-N 360.186 4.026 0 40 FIAB CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1Cl 22517765 FVFFFAPSCMTPON-UHFFFAOYSA-N 374.849 4.117 0 40 FIAB CC1(C)CC(Nc2nc(-c3ccncc3)nc3ccccc23)CC(C)(C)N1 25165937 IJXDGUBUQSJEPK-UHFFFAOYSA-N 361.493 4.413 0 40 FIAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 27408124 QOLUSPBGZIGMBX-ZDUSSCGKSA-N 355.825 4.200 0 40 FIAB Cc1ccccc1OCn1ccc(C(=O)N[C@H]2CCCc3ccccc32)n1 27972290 MKTGLLVGJAKRCD-IBGZPJMESA-N 361.445 4.035 0 40 FIAB O=C(Nc1ccc(Br)cc1Cl)c1cc(C(F)(F)F)n[nH]1 28234402 FQDJKNTXYUWRQO-UHFFFAOYSA-N 368.540 4.097 0 40 FIAB CCCOc1ccc(C(=O)NC[C@H](c2ccccc2)N(CC)CC)cc1 28291900 QLMCLUIXUUAHKS-OAQYLSRUSA-N 354.494 4.288 0 40 FIAB Cc1ccc(-c2nc(CSc3nnnn3-c3cccc(F)c3)cs2)o1 32328108 KGOUDFKNEGAECJ-UHFFFAOYSA-N 373.438 4.119 0 40 FIAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCO2 32632784 YQXCRLGNPRZKNW-UHFFFAOYSA-N 352.415 4.023 0 40 FIAB Cc1cccc(C2=N/C(=C/c3cc(Cl)c4c(c3)OCCCO4)C(=O)O2)c1 32745068 LQQCUTHCDKDSLU-MHWRWJLKSA-N 369.804 4.154 0 40 FIAB COc1ccccc1-c1nnc(SCc2noc(-c3ccsc3)n2)o1 39554424 BKRDLUVEJBSUET-UHFFFAOYSA-N 372.431 4.149 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2ccc3[nH]c(C)cc3c2)c1 40072693 ZGYAHSIMUTYRGA-UHFFFAOYSA-N 359.223 4.500 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cnn(-c3ccccc3C)c2C)cc1F 40073820 FDJJVKNKLCLLHG-AWEZNQCLSA-N 367.424 4.128 0 40 FIAB C[C@@H]1C[C@@H](C)CN(Cc2nc(-c3cc(Br)cs3)no2)C1 40157192 VCEYGQJBHBYKPN-NXEZZACHSA-N 356.289 4.039 0 40 FIAB CCn1nnc2cc(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)ccc21 46393057 AWECCGCSOQVVFN-UHFFFAOYSA-N 363.421 4.142 0 40 FIAB O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@H]2CCCC[C@H]21 46494297 KCYZZPZTISEPKQ-SJORKVTESA-N 363.548 4.339 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2ccccc2F)on1 47527313 HLAAZRNVWNAJGR-UHFFFAOYSA-N 367.405 4.363 0 40 FIAB CC(C)CC(=O)Nc1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1 48311328 BHOYEPXZAJDARQ-UHFFFAOYSA-N 363.461 4.344 0 40 FIAB COc1ccc(-c2nc(N)cc(Nc3cc(C)cc(C)c3)n2)cc1OC 49468145 CJSMMRJQBJKBPM-UHFFFAOYSA-N 350.422 4.103 0 40 FIAB CN(C(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1)C(C1CC1)C1CC1 50399797 DURZRCAYQDLESU-UHFFFAOYSA-N 372.472 4.195 0 40 FIAB O=C(Nc1cccc(CN2CCCC2=O)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 58224814 HYXKPJPRXAATPN-RTBURBONSA-N 368.864 4.205 0 40 FIAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(Cl)c2c1 72329813 QFDAHOIAYMHNKN-UHFFFAOYSA-N 361.850 4.346 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 72330046 BQSRTQRZXZXGFJ-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357794 QMNFLXDQIRRUFK-NRFANRHFSA-N 361.420 4.184 0 40 FIAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1 72358461 BOBNYQFLGDIRDV-GOSISDBHSA-N 373.456 4.172 0 40 FIAB O=C(N[C@H](c1nccs1)C1CC1)c1ccc2c(c1)C(=O)c1ccccc1-2 76040983 TUCMIAXMSGWFCQ-SFHVURJKSA-N 360.438 4.236 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)Nc2c(C)nn(C(C)C)c2C)[C@H](C)CO1 78932998 KOEMMXAGOHAWDZ-BEFAXECRSA-N 370.497 4.383 0 40 FIAB Cc1cc(N(C)Cc2ccccc2OC(F)(F)F)nc(-c2ccncc2)n1 84114714 WSGPUZUZRHWIOI-UHFFFAOYSA-N 374.366 4.382 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccccc2-n2cccn2)s1 84205069 WOARNLWZMNACEI-HNNXBMFYSA-N 367.474 4.083 0 40 FIAB CCSc1ccccc1C(=O)NCCc1nc(-c2cccs2)cn1C 90606952 VEPICRYGSLFIQH-UHFFFAOYSA-N 371.531 4.233 0 40 FIAB CCO[C@H]1C[C@@H](O)C12CCN(Cc1cc(-c3ccccc3)cs1)CC2 93614240 MLKOXRCJAFZQFT-UXHICEINSA-N 357.519 4.167 0 40 FIAB C[C@H](CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)c1ccccc1 95466094 ZRDOSFWYLOPISX-CQSZACIVSA-N 365.399 4.259 0 40 FIAB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2C)cc1 96602936 JNLDVYXLLXSEEM-LDADJPATSA-N 368.820 4.323 0 40 FIAB C[C@H](c1ccc(F)c(F)c1)[S@](=O)c1cc2c(cc1Cl)OCCO2 97011072 UUCVYRXMIAZVFS-XQHREBAHSA-N 358.793 4.258 0 40 FIAB O=C(Nc1cc(F)cc(F)c1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 97212368 LMKVYIWXDNRYDT-UHFFFAOYSA-N 369.249 4.286 0 40 FIAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CSc1ccc2ccccc2c1 102170011 JAYGBKSVJFTCCE-JJTBQNNYSA-N 351.475 4.160 0 40 FIAB CCOc1ccccc1[C@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222667987 UYDQDJDBWUKODL-CCKFTAQKSA-N 353.491 4.460 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC(C)(C)C 223538988 CQPSARQYIQEROU-OAHLLOKOSA-N 373.324 4.425 0 40 FIAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(OC)c1 225624629 ASEDTYHSCBJZEX-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225654126 IHDIVTNVOBIKQH-MRXNPFEDSA-N 371.477 4.333 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(OC)c(OC)c1 225719319 WGTPRIPPZYRMES-CQSZACIVSA-N 366.433 4.420 0 40 FIAB CC1(C)Cc2ccccc2[C@@H]2OCC3(CCN(CCCC(=O)O)CC3)C[C@H]21 257237944 HIXUUAIVLRPRQN-CTNGQTDRSA-N 371.521 4.294 0 40 FIAB CCCSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 408751149 WZOPOXGJKVFWLO-STQMWFEESA-N 360.504 4.478 0 40 FIAB COc1ccc2c(c1)OCCN([C@@H](C)c1nc(-c3ccccc3C)no1)C2 585080542 MTNGPALUXIRGOE-HNNXBMFYSA-N 365.433 4.009 0 40 FIAB O=C(NCc1ccnc(-c2ccncc2)c1)Nc1ccc(C(F)(F)F)cc1 585350345 DZBGKGBSHLJNSY-UHFFFAOYSA-N 372.350 4.484 0 40 FIAB Cc1cc(NC2CC(CF)(CF)C2)cc(N2CCN(C(C)C)CC2)c1 657991842 YIYKUGLSQUKKGA-UHFFFAOYSA-N 351.485 4.025 0 40 FIAB c1ccc(Cn2cc(CN[C@@H]3CCc4c[nH]nc4C3)c3ccccc32)cc1 675155913 QTSPJBMXVRRKHX-HXUWFJFHSA-N 356.473 4.060 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]2N1c1ccc(F)cc1 1615159915 QIURRQKMFVVPPL-UZLBHIALSA-N 370.443 4.484 0 40 FIAB COC(=O)c1ccc(C(=O)NCCc2ccc(-c3cccs3)s2)cc1 1889279678 GHIXAHWAURYILZ-UHFFFAOYSA-N 371.483 4.236 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)nc1C 847217 APZKKOJOBLIATN-UHFFFAOYSA-N 359.234 4.187 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)Oc1cc(Cl)ccc1Cl 32674872 MIIXPMSUYZTFSV-UHFFFAOYSA-N 353.201 4.353 0 40 FIAB Cc1cc(C(=O)COc2ccc(Cl)cc2Br)c(C)n1C 2619708 BZAPALHBFZHCMB-UHFFFAOYSA-N 356.647 4.320 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccccc1F 4854276 DUDNCBVVEYQHTR-LJQANCHMSA-N 353.372 4.403 0 40 FIAB O=C(NCCc1ccccc1)c1cc(-c2ccc(Br)cc2)on1 4880571 CJDXLYDHHSOOOP-UHFFFAOYSA-N 371.234 4.077 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cnc(-c2ccccc2)nc1 32844987 ORTQBXVPIUKTIY-CYBMUJFWSA-N 353.809 4.203 0 40 FIAB COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)c(Cl)c1Cl 6441433 SMDMALVXFWRNDN-UHFFFAOYSA-N 368.188 4.081 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1 6851060 RVZNLXQEUNJZCW-ZUZCIYMTSA-N 355.290 4.402 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[nH]c2c1 7344107 NXUDOFISMBBOCQ-UHFFFAOYSA-N 355.463 4.426 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 7407712 HCYIPTBTHQLZDW-NSHDSACASA-N 366.244 4.452 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 7882573 OZCWKUMBNZRXKW-LJQANCHMSA-N 364.489 4.420 0 40 FIAB CCCSc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)on2)s1 11917415 CXCGDODDINWWOA-UHFFFAOYSA-N 360.464 4.256 0 40 FIAB Cc1cccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)c1 11916581 UCVSRFDTGSFFJD-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1 8035112 IKYCJZIRJLAJSL-VIFPVBQESA-N 356.166 4.133 0 40 FIAB CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102665924 BDBKUDQKCMZYPV-MRXNPFEDSA-N 356.451 4.070 0 40 FIAB CC(C)NC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 21913446 BIKWNVHSINAPMP-CQSZACIVSA-N 373.884 4.039 0 40 FIAB COc1cc(OC)c(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 683177 WDBKUQRDQKAHAW-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB O=C(C[C@@H](O)c1cccn(-c2ccccc2)c1=S)c1ccccc1O 707803 JVHKPZVXOGAMKH-LJQANCHMSA-N 351.427 4.219 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)cc1 102784572 PQEFVWPSUOALNZ-ZJBJCVSYSA-N 371.525 4.295 0 40 FIAB COc1cccc([C@@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)c1OC 2919743 WTEQEDZKXHGBLQ-ROUUACIJSA-N 364.449 4.058 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccs1)C1CCCC1 42985434 LFMPZEKTCHUVQT-SWLSCSKDSA-N 352.500 4.009 0 40 FIAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1F 24562171 HFXGNQHDGYGKHY-LJQANCHMSA-N 367.399 4.017 0 40 FIAB O=C(c1cncn1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24693325 OABWUEVUCUTSKF-MRXNPFEDSA-N 372.428 4.033 0 40 FIAB O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 1400081 BRVRLMFONOMSQC-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB Cc1ccc([C@H](CNC(=O)COc2cccc(C)c2)N2CCCCC2)cc1 27581641 PFKJVHMMZNLWOO-QFIPXVFZSA-N 366.505 4.026 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)COc1ccc(Cl)cc1 1941392 SFGOPYJPQMEYBV-UHFFFAOYSA-N 361.825 4.024 0 40 FIAB C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)c1cc2ccccc2o1 23114393 VLHAEVMXQZUSNA-LLVKDONJSA-N 364.323 4.260 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1OCc1ccncc1 27605441 VLOUZRNCECSYJD-INIZCTEOSA-N 362.429 4.160 0 40 FIAB O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCc2ccccc2C1 3205146 GUNQOZRFBCLYMX-XMMPIXPASA-N 373.496 4.212 0 40 FIAB Cc1ccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)c(C)c1 2221532 HZPXLVREKKJWDK-UHFFFAOYSA-N 374.444 4.338 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cccc(Cl)c1Cl 10677357 DVWRXITWNAKRKV-INIZCTEOSA-N 356.274 4.423 0 40 FIAB COc1cc(OC)cc(-c2nnc(S)n2-c2cccc3ccccc23)c1 2321913 ACXPYHQJUNNMDS-UHFFFAOYSA-N 363.442 4.393 0 40 FIAB Cc1ccc(-n2ncc(C(=O)Nc3ccncc3)c2C2CC2)cc1Cl 28898529 SUCLEDZMJIAHKF-UHFFFAOYSA-N 352.825 4.359 0 40 FIAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cc(Cl)cc(Cl)c1 3496162 DGUBIKPGBKSFET-SECBINFHSA-N 367.261 4.155 0 40 FIAB Cc1cc(NC(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)no1 12926684 SCPQSCZRFSAYLS-OAHLLOKOSA-N 366.446 4.479 0 40 FIAB CCOC(=O)C1=C(OCc2ccc(Cl)cc2)[C@@H]2C=C(C)C=C[C@H]2N=C1 4107049 ZUKDHQBTBFLSDK-SJLPKXTDSA-N 357.837 4.259 0 40 FIAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)N(C)c1ccccc1 5263543 UMOZIBCQKMSBLU-AWEZNQCLSA-N 355.438 4.155 0 40 FIAB CCN(Cc1cccs1)C(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 14196754 WZQGHXQEMPKPGH-BQYQJAHWSA-N 365.882 4.481 0 40 FIAB COc1cc(NC(=O)c2oc3c(F)cccc3c2C)cc(OC)c1OC 14196986 GFXWWYNTROPGDZ-UHFFFAOYSA-N 359.353 4.158 0 40 FIAB CC(C)CC[C@@H](C)NC(=O)Cc1csc(COc2ccc(F)cc2)n1 14229527 VUETYAIVCHDTKP-CQSZACIVSA-N 364.486 4.345 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)O 6659766 BKOFIZJEIBKKCA-PXAZEXFGSA-N 367.405 4.116 0 40 FIAB c1ccc2c(c1)OC1(CCCC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@H]21 5603192 AJPZGUCKXGYWFU-GOSISDBHSA-N 362.429 4.272 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)cc1 6752911 JZPYRRLAQYEIEV-LJQANCHMSA-N 367.836 4.391 0 40 FIAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2)o1 6747390 HPMOBCCBOKGEGZ-UHFFFAOYSA-N 359.809 4.442 0 40 FIAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@@H]1CC1(Cl)Cl 14857548 HEULCBVRFRZIHF-JTQLQIEISA-N 369.248 4.458 0 40 FIAB O=C(NCCSc1ccc(Br)cc1)Nc1ccccc1 6850309 GVSSLEASRMDLJM-UHFFFAOYSA-N 351.269 4.363 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 4985132 VEWQEEKLBVODKI-CQSZACIVSA-N 367.474 4.007 0 40 FIAB Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)c3ccccn3)cc(=O)c2c1 15669876 ZPTDLUOMHHHLFJ-UHFFFAOYSA-N 374.396 4.245 0 40 FIAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7684901 KQOZNOXIUHBGHL-HNNXBMFYSA-N 352.459 4.325 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccco3)cccc2c1=O 7608244 CDDOYRAHYYBVGM-UHFFFAOYSA-N 359.381 4.291 0 40 FIAB COc1ccc2cc(CN(C)C(=O)CN(C)Cc3ccsc3)ccc2c1 7806239 CWPZAAIHYBHUSD-UHFFFAOYSA-N 368.502 4.000 0 40 FIAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)CCC2 7869004 PBACZNRPNCVTBF-AWEZNQCLSA-N 369.486 4.456 0 40 FIAB CN(CC(=O)N1CCSc2ccccc21)[C@H]1CCCc2ccccc21 16342785 PMYDCDRZRNAWBI-SFHVURJKSA-N 352.503 4.135 0 40 FIAB Cc1nc(COc2ccc(C(=O)NCc3ccccc3C)cc2)cs1 8053054 PPZGZMCUZOJQRL-UHFFFAOYSA-N 352.459 4.269 0 40 FIAB CC(C)c1ncc(CN[C@@H]2CCCc3cn(CC(F)(F)F)nc32)s1 96002738 HZDOYLURBPONJZ-CYBMUJFWSA-N 358.433 4.193 0 40 FIAB COP(=O)(OC)c1nc(-c2cccs2)oc1NCc1ccccc1 16752223 DGWSZWJHNSYIAP-UHFFFAOYSA-N 364.363 4.126 0 40 FIAB CCOc1nc(C(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)co1 96012386 MXTYUJRESWXALR-UHFFFAOYSA-N 370.380 4.352 0 40 FIAB Nc1c(-c2nnnn2-c2ccc3ccccc3c2)cnc2cc(Cl)ccc12 19691656 NRYVMGIJRBLPTO-UHFFFAOYSA-N 372.819 4.266 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)noc1C 9690692 IHZVZBLXUWDUJZ-UHFFFAOYSA-N 356.344 4.280 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)o1 21545422 JEKMUYQSLHQSTH-UHFFFAOYSA-N 373.409 4.005 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 84636459 BVVHQVAIPJCIOO-VXGBXAGGSA-N 372.918 4.167 0 40 FIAB C[C@@H]1CN(CCc2cccc(NC(=O)c3ccnc(Cl)c3)c2)C[C@@H]1C 95992874 MNDICUAYTKIMGP-GASCZTMLSA-N 357.885 4.118 0 40 FIAB O=C(CCCOc1ccccc1)Nc1ncnc2sc3c(c12)CCCC3 9914534 BNQOZSYOJJTNTH-UHFFFAOYSA-N 367.474 4.368 0 40 FIAB Cc1cc(N2CCC[C@H]2c2nc3ccccc3n2C)nc(-c2cccnc2)n1 75109642 JLKBIJWWVTXJQF-IBGZPJMESA-N 370.460 4.075 0 40 FIAB Clc1ccc(Cl)c(OCCN2CCN(c3ccccc3)CC2)c1 89845629 QQWRKLZUXNPYAR-UHFFFAOYSA-N 351.277 4.194 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 27978173 HRUSSFJMVRUSME-CQSZACIVSA-N 367.323 4.230 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 408702101 CARVCCRKQPATPB-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CCN2CCCC[C@@H]12 32932457 IUXWWYNSGXOWSA-UUWJFWACSA-N 370.493 4.310 0 40 FIAB CC1=Nc2c(NC(=O)c3ccccc3)c(Nc3ccccc3)nn2C(=O)C1 35671258 CEKJCOCEIUAIRH-UHFFFAOYSA-N 359.389 4.015 0 40 FIAB CC(C)c1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2Cl)cc1 72229178 GTIKXTQVLGFQCT-UHFFFAOYSA-N 373.884 4.135 0 40 FIAB CSc1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72216979 WXLVCLUMCRAYDB-QGZVFWFLSA-N 362.520 4.028 0 40 FIAB CC[C@H](NC(=O)COc1cccc2c1CCCC2)c1ccc(OC)cc1 223441944 VWFXPRRWZGPTBK-FQEVSTJZSA-N 353.462 4.220 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 224288909 JXTKOEWOKHEYFY-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB CCCc1ccc(OCCNC(=O)COc2cccc3ccccc23)cc1 224258401 KEVQAHLNVHLKPK-UHFFFAOYSA-N 363.457 4.366 0 40 FIAB Cc1nc(-c2nnsc2C(=O)OCc2ccc(Cl)cc2Cl)co1 223861169 CULKXOUOQSTOOM-UHFFFAOYSA-N 370.217 4.165 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(C)C)cc2)cc1Cl 224949226 PMMKHJNFORFFDF-UHFFFAOYSA-N 353.871 4.297 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 224067619 KYSMREBWDAQXOE-HNNXBMFYSA-N 367.445 4.066 0 40 FIAB COc1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 226009709 CRHCRMIODRTSRA-UHFFFAOYSA-N 372.494 4.287 0 40 FIAB CC(C)c1cc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)n[nH]1 96194030 HTLZZXQUWLVNNE-UHFFFAOYSA-N 350.407 4.113 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257288318 PTSSYPJDCGLYKB-INIZCTEOSA-N 371.437 4.147 0 40 FIAB Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 257342589 ZPHZCTQIFUVXMQ-GOSISDBHSA-N 369.513 4.329 0 40 FIAB Cc1ncoc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257305706 SRCUUHDFSJFNAR-MRXNPFEDSA-N 371.824 4.193 0 40 FIAB O=C(c1cscn1)N1CCC[C@@H](Cc2cccc3ncccc23)CC1 257300808 RVTJQSNYZRZIPI-OAHLLOKOSA-N 351.475 4.176 0 40 FIAB COCc1cccc2sc(NC(=O)N3CCCC(F)(F)CC3)nc12 1616042754 ADHDFILPPALXFY-UHFFFAOYSA-N 355.410 4.096 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)C[C@H](C)c3c(C)n[nH]c3C)cc2)nn1 677898301 ZLXDSFRWLSKTMB-LBPRGKRZSA-N 365.437 4.050 0 40 FIAB Cc1ccn(C)c1C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 682821619 BLWYQOBLGPRDLL-SFHVURJKSA-N 366.440 4.230 0 40 FIAB Cc1ccnc2ccc(C(=O)N3[C@H]4CC[C@H]3CC(Oc3cccnc3)C4)cc12 390831964 WHIVIFIJPOXEPM-ROUUACIJSA-N 373.456 4.153 0 40 FIAB COc1ccccc1-c1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1 585261183 STEIVIGLUACGCO-KKSHJYNMSA-N 365.473 4.497 0 40 FIAB Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H]1C1CCCC1 56602920 JVDCYWDOYUDHLR-HXUWFJFHSA-N 357.498 4.018 0 40 FIAB CC[C@@H](NC(=O)N1CCC[C@H](c2nc(C)no2)C1)c1cccc(Cl)c1 58234765 CTVWMLMUWCWGEF-GOEBONIOSA-N 362.861 4.072 0 40 FIAB Cc1nccc(-c2cccc(NCC(=O)N3c4ccccc4CC[C@H]3C)c2)n1 84290753 GWYAIXRJWMHINH-MRXNPFEDSA-N 372.472 4.232 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccccc2)N1c1ccc(F)cc1 1615161459 YJQQXTQPJVJFKB-PMACEKPBSA-N 352.453 4.488 0 40 FIAB Clc1nc2cc(I)ccc2cc1Br 1857781559 HAGOYMUZLITIMR-UHFFFAOYSA-N 368.399 4.255 0 40 FIAB COc1ccccc1NCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O 1013707 UCMWOOXKWJBWLS-BOPFTXTBSA-N 354.431 4.110 0 40 FIAB O=C(O)c1cc(OCc2ccc(Cl)cc2)cc(Br)c1O 226298981 ZVGZTTNIACBYPW-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB Cc1cncc(CNC(=O)c2ccc(N3CCCc4ccccc43)cc2)c1 1631934242 BOENTYAPKKXFHF-UHFFFAOYSA-N 357.457 4.404 0 40 FIAB CSCC[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2[nH]1 2308319 UDYJGNCALXFOMN-IENJSVCTSA-N 351.475 4.187 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5151185 WVABFNXIPMDRAJ-ONTIZHBOSA-N 371.427 4.473 0 40 FIAB O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CO2)c1cccs1 13267002 MSXMSSJEAYSCGU-UHFFFAOYSA-N 367.401 4.044 0 40 FIAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1Cl 13646816 QLDNGTZLHVNXGH-NSHDSACASA-N 356.274 4.274 0 40 FIAB COC(=O)c1sccc1NC(=O)CCSc1ccc(Cl)cc1 15606541 JJBDWCBQXLDSIP-UHFFFAOYSA-N 355.868 4.309 0 40 FIAB Cc1cc(=O)c(C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCCC2)c[nH]1 675513230 RGCHKJQCGIHORG-LJQANCHMSA-N 358.869 4.388 0 40 FIAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncnc2sccc12 2642013 FFTAPMVCIQKHFL-UHFFFAOYSA-N 361.492 4.098 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CCC2 1514870 XWUCXDSNSZGQGU-UHFFFAOYSA-N 359.447 4.065 0 40 FIAB COc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)ns2)cc1 4167391 YJAGLOALNFCEHJ-UHFFFAOYSA-N 356.472 4.497 0 40 FIAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccccc3)sc2c1 4359509 XBKWCALCXGDHME-UHFFFAOYSA-N 353.491 4.203 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)C1CCCC1 9037008 FLJMXOGFCBLBEE-UHFFFAOYSA-N 354.475 4.075 0 40 FIAB O=C(NCC1CCN(Cc2ccccc2)CC1)Nc1ccccc1Cl 38583617 VXNMZAOXKHAWMW-UHFFFAOYSA-N 357.885 4.374 0 40 FIAB Clc1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCNC3)n2)cc1 19335650 JYBQSLFUPPYCEW-CQSZACIVSA-N 351.841 4.013 0 40 FIAB Cn1c(C(=O)Nc2cccc(N3CCCC3=O)c2)c(Cl)c2ccccc21 40090029 CBJBGVHHROFVTQ-UHFFFAOYSA-N 367.836 4.211 0 40 FIAB C[C@@H]1Oc2ccccc2N(CCC(=O)O[C@@H](C)c2ccccc2Cl)C1=O 31330233 YOLSDQXTZYDSBY-KBPBESRZSA-N 373.836 4.148 0 40 FIAB COc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1OC(C)C 662760 JVDWRYMZWXMSOD-MHWRWJLKSA-N 371.820 4.480 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1 857084 WIXJYEPLTLZQDS-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB O=c1cc(CSc2nnc(-c3ccccc3F)o2)c2ccccc2[nH]1 928230 GYHSMQJSKHKBDI-UHFFFAOYSA-N 353.378 4.010 0 40 FIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c(C)c1 941801 VHHGGKAXSZHTSO-UHFFFAOYSA-N 354.837 4.356 0 40 FIAB CCOC(=O)Cc1csc(NC(=O)Nc2cccc3ccccc23)n1 1033899 CMUUYDKROITULH-UHFFFAOYSA-N 355.419 4.046 0 40 FIAB CC(=O)N(CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359658 PNWXHTMDOYFEGI-UHFFFAOYSA-N 362.473 4.045 0 40 FIAB O=C1OCC2=C1[C@H](c1ccccc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1429533 VJNHGSFMHBMQCL-HNNXBMFYSA-N 373.330 4.037 0 40 FIAB Brc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 2397989 ZDISUQYYBPFDRJ-JKSUJKDBSA-N 355.239 4.187 0 40 FIAB Cc1cccc2cc3c(NC(=O)c4cccnc4)nn(CC(C)C)c3nc12 2403181 CVEUBENRMXKJQK-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB CC(=O)N[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2562799 XAPSNYLSUGRKQO-XWRAWWFBSA-N 373.537 4.386 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 4410301 OJRADRUMJUVRPG-DOIPELPJSA-N 356.462 4.211 0 40 FIAB COc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)c(OC)c1 4678326 JFARBVZMJCKGNJ-UHFFFAOYSA-N 357.841 4.370 0 40 FIAB CC[C@@H](C)[C@@H](C(=O)O)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 5031240 UAJTZFAZHIEZAX-QAPCUYQASA-N 350.418 4.127 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1 5403279 WXFBWYYFEDNMFQ-UHFFFAOYSA-N 369.421 4.244 0 40 FIAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 5611919 UFSIKGQICKKETJ-GOSISDBHSA-N 373.452 4.067 0 40 FIAB COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccccc2)n1 5996241 PMVQOFVFFRGFSF-UHFFFAOYSA-N 361.854 4.305 0 40 FIAB COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1Br 6263064 CCMLVTQATWXNHU-UHFFFAOYSA-N 364.239 4.497 0 40 FIAB COC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 6638197 WHIHAUAEBUZHBD-UHFFFAOYSA-N 361.397 4.305 0 40 FIAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOC)C1=O 6942524 DBGNBKXQFIINCL-AQTBWJFISA-N 371.458 4.311 0 40 FIAB O=C1Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N1Cc1ccco1 7996520 XSLZEWOZHUMSDF-UHFFFAOYSA-N 368.392 4.220 0 40 FIAB CSc1nc(C)c(CCC(=O)Nc2ccc(F)c(Cl)c2)c(C)n1 8075475 GJPGBZUMRZRWPR-UHFFFAOYSA-N 353.850 4.179 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1ccc(F)cc1)c1ccccc1 8311199 MEIWLSIUJBIKSW-UHFFFAOYSA-N 359.404 4.154 0 40 FIAB Brc1cccc(-c2nnc(SCCc3ccncc3)o2)c1 8780304 SPPHNPQAJDVGNY-UHFFFAOYSA-N 362.252 4.229 0 40 FIAB CC(C)CN1C(=O)CCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 9137489 FZERGSBDLZYBEE-UHFFFAOYSA-N 370.880 4.456 0 40 FIAB COc1ccc(-c2nnc3sc([C@H](C)Oc4ccccc4)nn23)cc1 9355887 MNOJARCSIXDJNS-LBPRGKRZSA-N 352.419 4.001 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nnc(N3CCCCC3)n2C2CC2)c1 11371166 FPUJRWORGHQGGS-UHFFFAOYSA-N 370.522 4.195 0 40 FIAB CC(C)(C)c1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1 12510832 OLPHFGSIFLMGPB-UHFFFAOYSA-N 352.459 4.196 0 40 FIAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CCc2ccccc21 12603299 CSNUGXNFZGRTKS-UHFFFAOYSA-N 367.452 4.216 0 40 FIAB O=C(OCc1cnn(-c2ccccc2)c1)C1=Cc2cc(Cl)ccc2OC1 12754182 OTSUQNZNPWQDER-UHFFFAOYSA-N 366.804 4.045 0 40 FIAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1cccc(C(F)(F)F)c1 12850335 IYNORCWTDGCCCN-CYBMUJFWSA-N 362.351 4.235 0 40 FIAB COc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4C3)n2)cc1 12922536 DYDYPZCUHDFPQM-HNNXBMFYSA-N 366.442 4.009 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1F 12979195 NYJIMJRPIXCFBR-UHFFFAOYSA-N 364.424 4.453 0 40 FIAB CCN(CC)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 13020255 NEIFUKZPSCVPBP-UHFFFAOYSA-N 354.454 4.371 0 40 FIAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 13084412 FZNIFWDYNMMTCE-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB O=S(=O)(c1cccc(F)c1)N1CCc2sccc2[C@H]1c1ccccc1 14242303 BVEGYALMDDRWEP-LJQANCHMSA-N 373.474 4.224 0 40 FIAB CCOc1ccc(CCNC(=O)c2ccc(OC(C)C)cc2)cc1OCC 15897423 GNZUSQBNFPMRDY-UHFFFAOYSA-N 371.477 4.244 0 40 FIAB COc1ccc(NC(=O)[C@H](OC(=O)c2ccoc2C)c2ccccc2)cc1 16544624 ZGBBIQPAJDNOEN-LJQANCHMSA-N 365.385 4.133 0 40 FIAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690041 RLVVRAFICHNSJZ-MLGOLLRUSA-N 374.485 4.019 0 40 FIAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)C)cc12 17395665 ANHGOYVBEXUHQW-UHFFFAOYSA-N 368.289 4.463 0 40 FIAB COc1ccc(-c2ncc(CN3CCn4cccc4[C@H]3C(C)C)cn2)cc1 19446154 GTUJYBWROQJSGV-OAQYLSRUSA-N 362.477 4.167 0 40 FIAB CC(C)c1ccccc1NC(=O)CNC[C@H](c1ccco1)N1CCCCC1 22038325 MFQMWSOJCNDQOP-HXUWFJFHSA-N 369.509 4.158 0 40 FIAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2s1 22255118 XVCNGRMRMJMBRO-UHFFFAOYSA-N 362.476 4.058 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 24470578 VTQKDVFVTBIVNW-UHFFFAOYSA-N 352.356 4.222 0 40 FIAB CCCCNC(=O)Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 28221566 GGRCQIPCEVAUID-UHFFFAOYSA-N 354.385 4.464 0 40 FIAB CCn1nc(C)c2c(C(=O)Nc3ncc(Cl)cc3Cl)cc(C)nc21 28242102 LEUQRKDRULGFFJ-UHFFFAOYSA-N 364.236 4.022 0 40 FIAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(NC(N)=O)cc1 30316640 QTVUBSLQGRYDTN-SNVBAGLBSA-N 366.248 4.317 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1)c1ccccc1 30754869 ODIRIUFTUBUWTI-YOEHRIQHSA-N 359.491 4.452 0 40 FIAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CC(=O)N(C2CC2)C1 32716999 HOOLDPTUJQRTHM-ZDUSSCGKSA-N 370.836 4.082 0 40 FIAB CCc1sc(C(=O)NCC(=O)Nc2ccc(Cl)cc2Cl)cc1C 32796396 IUPCWSYMNNQVLN-UHFFFAOYSA-N 371.289 4.294 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N1CCC(N(C)c2ccccc2)CC1 40150175 QLVOTMMMBLUHCC-UHFFFAOYSA-N 372.896 4.155 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2ccc(-n3ccnc3C)c(F)c2)c(C)c1 40155013 UKTIZNQCEAVEMW-UHFFFAOYSA-N 367.424 4.263 0 40 FIAB COc1ccc(CNC(=S)Nc2ccc(C(C)C)cc2)c(OC)c1OC 44252125 NIELRXJAMOVQRO-UHFFFAOYSA-N 374.506 4.322 0 40 FIAB COc1cc2c(cc1NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)oc1ccccc12 48332596 GOGKFFXWRFDUQT-ZBFHGGJFSA-N 361.401 4.070 0 40 FIAB CC/C(CNCCc1ccccc1)=C1/N=C(c2ccc(Cl)cc2)OC1=O 68708720 XGYNQYUUYBVXMC-MNDPQUGUSA-N 368.864 4.140 0 40 FIAB C[C@@H](Oc1ccccc1F)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890688 XGGFJGCKFSOYKV-SNVBAGLBSA-N 366.352 4.429 0 40 FIAB O=C(CCn1ccc2c(Cl)cccc21)N1CCO[C@@H](c2ccccc2)C1 72403453 LPTWECBHOMIMTM-HXUWFJFHSA-N 368.864 4.285 0 40 FIAB Cc1nc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)sc1C 75110947 CURKYHOJPXGCAN-SJORKVTESA-N 367.478 4.007 0 40 FIAB C[C@H]1c2cc(Cl)cc(Cl)c2CCN1c1nccc(-n2cccn2)n1 84718158 HXWDQYKVXMKVJD-NSHDSACASA-N 360.248 4.093 0 40 FIAB O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 95957089 VZVVCRVCXDYMSS-HXUWFJFHSA-N 359.381 4.099 0 40 FIAB C[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 109010617 FBMQDKXUHHBONW-BOSXTWCSSA-N 366.461 4.194 0 40 FIAB Cc1cccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)n1 215188412 BQWHZDKZXNQBAN-OVCLIPMQSA-N 362.813 4.419 0 40 FIAB O=C(COc1cccc(Cl)c1)NCCSCc1ccccc1Cl 222764294 KZJIGAISFRAEQG-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1cc(C)ccc1C)CCCC2 223038638 QZLISEMMPDXZKB-INIZCTEOSA-N 373.518 4.230 0 40 FIAB COc1ccc(CC(=O)NCCSCc2cccc(Cl)c2)cc1C 223266386 CJJNRGCRHJSNNP-UHFFFAOYSA-N 363.910 4.249 0 40 FIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O 224590688 LPXDLHCZNSNVEV-DLBZAZTESA-N 367.499 4.334 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OCC)c(Cl)c2)c1 225114286 GCSNHLJOFDFLOU-UHFFFAOYSA-N 361.825 4.476 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(F)cc2)c1 225473481 PWTFZPMCUSZNLX-CYBMUJFWSA-N 360.454 4.358 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccccc1F)CC(C)(C)O2 225681905 JLZLSDYYHNLWSO-MRXNPFEDSA-N 360.454 4.423 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 226349523 DYSZTCVFFHJCIY-UHFFFAOYSA-N 363.255 4.463 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(CN3CCCC3)c2)s1 257244402 ILCZIUJZURCYFM-GOSISDBHSA-N 355.507 4.025 0 40 FIAB Cc1nc(C2(C)CCN(C(=O)c3cccc(F)c3)CC2)c2sccn12 257340203 ZFAWMCXSAYVLGK-UHFFFAOYSA-N 357.454 4.037 0 40 FIAB O=C(Nc1cccc2cccnc12)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390830381 KRQMTAKLIPHBNE-IRXDYDNUSA-N 374.444 4.236 0 40 FIAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)CC)cc1 408674929 FBGPMVNJTNWZLJ-OAHLLOKOSA-N 364.445 4.102 0 40 FIAB Cc1ccc(-n2cc(NC(=O)N3CCC[C@@H]3c3cc(C)no3)cn2)c(C)c1 515727726 CWEICPMFWNMYDC-GOSISDBHSA-N 365.437 4.155 0 40 FIAB Fc1ccccc1-c1nc(CN2CCC(Nc3ccccn3)CC2)cs1 536369025 GACVOPOEHULEBX-UHFFFAOYSA-N 368.481 4.421 0 40 FIAB Cc1cnc(CCNC(=O)Nc2nn(C3CCCCC3)cc2C)c(C)c1 654036157 JUCBOBOPNBEJRI-UHFFFAOYSA-N 355.486 4.073 0 40 FIAB O=C(N[C@@H]1CCC[C@@H](CO)C1)c1ccc(COc2ccc(Cl)cc2)cc1 665672791 TVXIUIQAHPHKNU-VQIMIIECSA-N 373.880 4.200 0 40 FIAB CC[C@H]1CCCC[C@H]1CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 1667328324 DJTUFYMYGJRFCO-IRXDYDNUSA-N 358.461 4.027 0 40 FIAB CC(=O)Oc1cc2c(C(=O)NCc3cccnc3)c(C)oc2c2ccccc12 1236054 XVZJKFZCZJRULZ-UHFFFAOYSA-N 374.396 4.145 0 40 FIAB COc1ccc(CCNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 1579736 ISGCNTZLGOMKJY-UHFFFAOYSA-N 356.466 4.366 0 40 FIAB NC(=O)C(CCCCN1CCCCC1)(c1ccccc1)c1ccccc1 1700032 KWJDODKCXOGAQY-UHFFFAOYSA-N 350.506 4.114 0 40 FIAB CCCN(CCC)C(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 1700949 LEGCGOSBWNEQOI-JZJYNLBNSA-N 350.462 4.106 0 40 FIAB CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](O)c1ccccc1 2319900 MLFXDCMKDYVWBM-OYLFLEFRSA-N 366.222 4.013 0 40 FIAB Cc1cccc(-c2nc3c4cnn(-c5ccc(C)cc5C)c4ncn3n2)c1 2435011 ZHRIAXCDWOVXOB-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB O=C(COC(=O)c1c(F)cccc1Cl)c1ccc(OC(F)F)cc1 2637676 PIIRFUVUILCRCK-UHFFFAOYSA-N 358.699 4.120 0 40 FIAB O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1 3041782 NOZMIYCKKZPCCZ-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(F)cc1 3216358 YJWNNUQZJUAERJ-UHFFFAOYSA-N 363.388 4.212 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 3501502 MDWXFXWFFMCCEO-UHFFFAOYSA-N 352.463 4.004 0 40 FIAB CCOc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 5117299 LEZVORQNOCUZDR-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CC1=NN2C(=S)N(c3ccccc3)[C@H](c3ccccc3F)N=C2S1 5261101 CGMDFRLSDCXBSB-OAHLLOKOSA-N 356.451 4.368 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 5394987 JXQMZCNCBYYUKY-UHFFFAOYSA-N 368.239 4.487 0 40 FIAB COc1ccc(C(=O)CSc2nnc(C)n2C2CCCCC2)cc1F 5429648 VLLACIAEHHPYBS-UHFFFAOYSA-N 363.458 4.214 0 40 FIAB O=[P@](O)(Oc1ccc(Cl)cc1)O[P@](=O)(O)Oc1ccccc1 5604116 MNMUNHJHIBQLAY-UHFFFAOYSA-N 364.614 4.015 0 40 FIAB Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccco1 5862013 BKYVELPCXMSAKU-UHFFFAOYSA-N 373.825 4.071 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 6045547 RZGXQAYRXMQOCR-GFCCVEGCSA-N 372.490 4.013 0 40 FIAB S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc2c(c1)OCO2 6445432 LFGPMNIUWFGVGU-UHFFFAOYSA-N 355.463 4.126 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc(C)c1Cl 6471194 GYKBQYAKHAWOGQ-UHFFFAOYSA-N 357.793 4.081 0 40 FIAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCc2ccccc21 6626508 JIBNNXVSKAXIHH-UHFFFAOYSA-N 361.772 4.110 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)S[C@H](C)C(=O)N2 6678898 ITVRHVUHBLHFBK-FZKQIMNGSA-N 367.449 4.483 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)c1c[nH]c2ccccc12 6887114 NJLLTWVPYMIKMR-UHFFFAOYSA-N 362.212 4.443 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 6970649 MARSELKUSGPAKH-UHFFFAOYSA-N 368.239 4.487 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 7407713 HCYIPTBTHQLZDW-LLVKDONJSA-N 366.244 4.452 0 40 FIAB CN(CCCNC(=O)CSc1nc2ccccc2s1)c1ccccc1 7883981 JKDGGOQWVHWLAH-UHFFFAOYSA-N 371.531 4.031 0 40 FIAB COc1ccc([C@H]2CCCCCN2Cn2c(=O)oc3ccccc32)cc1 8338863 GBULUPXKWJAEGK-GOSISDBHSA-N 352.434 4.178 0 40 FIAB COc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 10156629 PSEHNVNTEUUWIM-MRXNPFEDSA-N 359.429 4.450 0 40 FIAB Cc1c(C(=O)Nc2ccccc2)cnc2nc(-c3cccc(Cl)c3)nn12 10338700 MUWPUWTUQXCNEH-UHFFFAOYSA-N 363.808 4.005 0 40 FIAB O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(-c2ccc(F)cc2)o1 11565403 VFFMWQWGFYYFKP-UHFFFAOYSA-N 361.376 4.201 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1NC(=O)c2ccccc2N1 12532736 GHJZEXLGCCAISC-LJQANCHMSA-N 366.852 4.056 0 40 FIAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC=C(c2ccccc2)CC1 12692585 UINJUBAQWAQKSR-HNNXBMFYSA-N 372.415 4.404 0 40 FIAB O=C(c1ccc(F)cc1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 12890466 PXGZRNVEJKNGRP-UHFFFAOYSA-N 367.420 4.065 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Br)cc1 13002132 GXAPSEMTYDQRBB-LBPRGKRZSA-N 362.223 4.058 0 40 FIAB Cc1ccccc1NC(=S)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 13555855 OVFWTBVWPGDJMU-HNNXBMFYSA-N 350.491 4.448 0 40 FIAB COc1ccc2c(C)c(CCC(=O)N(C)C3CCC(C)CC3)c(=O)oc2c1 14069668 GONKTTRVMMZGEN-UHFFFAOYSA-N 371.477 4.080 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)CCc1ccccc1 17156442 NDXVSEZBAOQDFF-AWEZNQCLSA-N 351.475 4.265 0 40 FIAB Cc1nn(C2CCCC2)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(O)=N2 17209525 WOJUILBPSAQFQV-SFHVURJKSA-N 371.462 4.460 0 40 FIAB O=c1oc2ccccc2n1Cc1c(-c2ccc(F)cc2)nc2ccccn12 19376635 DWRSULXQKZKJHV-UHFFFAOYSA-N 359.360 4.097 0 40 FIAB C[C@@H](NC(=O)CC1CCN(C2CCCCC2)CC1)c1nc2ccccc2[nH]1 19748801 LIHJSICVRKNADX-MRXNPFEDSA-N 368.525 4.175 0 40 FIAB Cc1ncc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)n1 19937123 IQBIUVRZYWPZOC-UHFFFAOYSA-N 365.820 4.230 0 40 FIAB COc1ccc(SCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1OC 20459999 VYYKYWXRUZOBMH-OAHLLOKOSA-N 359.491 4.290 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 20612027 JMOWJHWSGXDWAF-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27584798 DKTBMQUXYNRRRZ-LJQANCHMSA-N 372.534 4.492 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)c3cc(F)ccc3F)c2C)c1 28305989 DKFLFAQPBWABID-UHFFFAOYSA-N 371.387 4.087 0 40 FIAB CCOc1ccc(CCC(=O)NCCCc2ccc(F)cc2)cc1OCC 30864750 CIYLYSZFCJUODW-UHFFFAOYSA-N 373.468 4.305 0 40 FIAB Cc1sc2nc(NCc3ccco3)n3nc(-c4ccco4)nc3c2c1C 32074756 CBVXSOSRZRMCHU-UHFFFAOYSA-N 365.418 4.421 0 40 FIAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Cl 32125385 RIIRVKICIKBILU-UHFFFAOYSA-N 362.882 4.330 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(-c2ccccc2)cc1F 32930068 VHVRFDLPSATZDX-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB CC(C)c1ccc(-n2nnnc2C2(NCc3ccccc3)CCCC2)cc1 35622624 WMIOXGOYAHIKAY-UHFFFAOYSA-N 361.493 4.345 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3cnn(C)c3C)n2)cc1 36613193 OCXISOYIGRRDGH-UHFFFAOYSA-N 361.371 4.125 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(F)cc1F 43277806 YPMFWKCUIKJXIO-UHFFFAOYSA-N 371.431 4.262 0 40 FIAB C[C@@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccccn1 47602768 NFKJVDMMCOVWHA-OAHLLOKOSA-N 351.406 4.274 0 40 FIAB CCOCCOCc1cccc(NC(=O)N2CCC[C@H]2c2ccncc2)c1 47605154 GBKGUIXGMWWPHD-FQEVSTJZSA-N 369.465 4.004 0 40 FIAB COc1ccc(NC(=O)CSc2cc(C)nc(-c3ccccc3)n2)cc1 57519781 KCKBUDBINTVEAA-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB CCS(=O)(=O)Nc1ccc(NC(=O)CCC2CCCCC2)cc1C 58015695 XIIIOAUVCTWECT-UHFFFAOYSA-N 352.500 4.056 0 40 FIAB C[C@H](Sc1nnnn1Cc1cccs1)c1ccc(F)c(Cl)c1 58356092 YJSIQCTYECGPHB-VIFPVBQESA-N 354.863 4.429 0 40 FIAB Cc1noc(C)c1CNC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 60322815 IUNQPFMGPPELEZ-UHFFFAOYSA-N 371.462 4.132 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)N1CC[C@@H](Nc2ccccc2)C1 65577584 DZKANZIAOSGAGB-MRXNPFEDSA-N 371.510 4.304 0 40 FIAB Cc1ccc(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)c(C)c1 67206813 FZSOHIRJJOGVQQ-UHFFFAOYSA-N 352.821 4.063 0 40 FIAB Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc(-c2cccc(F)c2)n1 67257331 VQCGSKLBDDUGLY-UHFFFAOYSA-N 371.412 4.461 0 40 FIAB CCc1nccn1-c1cccc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72379078 ZUANFGFBVZMUHF-SFHVURJKSA-N 364.468 4.348 0 40 FIAB CC(C)Oc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72406166 WDEZAAJUSPQQRR-KRWDZBQOSA-N 351.406 4.435 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NC3CCC(N4CCCCC4)CC3)cc2c1 75106173 KTZBHLSYRMSXIZ-UHFFFAOYSA-N 365.521 4.379 0 40 FIAB CC[C@H](C)c1ccc(Cn2c(CN3CCOCC3)nc3ccccc32)cc1 76555504 PBMYQRUBZPIZII-SFHVURJKSA-N 363.505 4.430 0 40 FIAB O=C(NC[C@@](O)(c1cccs1)C1CC1)Nc1ccccc1C(F)(F)F 77099551 FGNALQNQZUHYRC-INIZCTEOSA-N 370.396 4.186 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2c1cccc2cccnc12 79501433 QRIQZLZKHDYURI-INIZCTEOSA-N 354.435 4.142 0 40 FIAB O=C(c1ccc2c(c1)CCCC2)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 84392906 PGQKPGQLEUZNOH-OAQYLSRUSA-N 353.437 4.043 0 40 FIAB CC[C@H](C)NC(=O)CCNC(=O)c1cc(C)ccc1SC1CCCC1 95463664 PMYBHFTZUCMSLM-HNNXBMFYSA-N 362.539 4.064 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1NCCc1ccc(OC(F)(F)F)cc1 95464738 JZUPFFWRDCJFLO-UHFFFAOYSA-N 366.383 4.250 0 40 FIAB COc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C3)cc1Cn1cccn1 95992562 PINZKYJLRBFIAN-MRXNPFEDSA-N 362.477 4.059 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@H](OC)c1ccsc1 96097413 NWMDOSWXKZYUKV-SFHVURJKSA-N 355.459 4.418 0 40 FIAB CCc1cccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2c(OC)cccc23)c1 102202562 KMQONNJQWRQEOU-OXJNMPFZSA-N 354.475 4.192 0 40 FIAB O=C(c1noc2c1CCCC2)N1CCC[C@@H](COc2ccccc2Cl)C1 122781533 NBIFYUHMIDVDAW-CQSZACIVSA-N 374.868 4.138 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)c1C 219312434 JMZWEIBSONTDTD-LJQANCHMSA-N 366.505 4.030 0 40 FIAB COc1ccc(C(=O)N2CCS[C@H](c3cccs3)CC2)cc1F 219519547 CQAFSMFCHJFFAJ-INIZCTEOSA-N 351.468 4.216 0 40 FIAB COC(=O)c1cn(C(=O)COc2ccccc2C(C)C)c2ccccc12 222642327 JXGPWBICPWNAPH-UHFFFAOYSA-N 351.402 4.271 0 40 FIAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223333594 WBIGEZBHWVHVBZ-RBUKOAKNSA-N 366.490 4.230 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc2ccccc2c1 223609226 PGNKGWVVXWUHKO-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB CCOC(=O)c1cc(NC(=O)c2ccc(OC)c(Cl)c2)ccc1Cl 224405236 UNMHDLMZTNFDNA-UHFFFAOYSA-N 368.216 4.431 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 224422718 JACMXFXYNPFTKL-QGZVFWFLSA-N 355.478 4.335 0 40 FIAB CCc1nc2ccc(NC(=S)NCc3ccc(OC)cc3)cc2s1 225206951 QTCYNLZUMXKGSJ-UHFFFAOYSA-N 357.504 4.354 0 40 FIAB CCOc1ccccc1CCCNC(=S)Nc1ccc(OC)cc1OC 225395518 DBHGGQFDYZWXCE-UHFFFAOYSA-N 374.506 4.022 0 40 FIAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225837663 LAVDCECKBJJVNG-CQSZACIVSA-N 365.470 4.184 0 40 FIAB c1ccc(-c2noc([C@H]3CCN(Cc4ccc5ccccc5n4)C3)n2)cc1 257227420 FPEIKVJKVGFXER-SFHVURJKSA-N 356.429 4.274 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1C1CC1 260786560 YGDNRYJJWHXYCS-UPRAQXHNSA-N 352.507 4.424 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 408702137 DACWDTWMDYRSKA-QFIPXVFZSA-N 367.489 4.334 0 40 FIAB CC1=NN(C(=O)CSCc2ccccc2Cl)[C@](O)(c2ccccc2)C1 409181957 GYTSPEOIXBYSFP-LJQANCHMSA-N 374.893 4.027 0 40 FIAB Cc1cccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)c1 2502959 IVGKBHKJJDSOFT-NRFANRHFSA-N 364.470 4.310 0 40 FIAB Cc1cc(Br)ccc1NC(=O)c1cc2ccccc2oc1=O 8285976 GOYIELICCFJFSC-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 1342250 PMVKYSKDNVCPPL-UHFFFAOYSA-N 356.491 4.071 0 40 FIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1cnc2ccccc2c1 21136525 CRNFCFIBAQLYSM-AATRIKPKSA-N 352.777 4.269 0 40 FIAB CCCNC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 4094079 GXXFHMDMWMPTFR-MODVRULXSA-N 373.493 4.324 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2occc2COc2ccccc2)cc1F 21403641 VLGBAOQRNRDIFM-CQSZACIVSA-N 369.392 4.497 0 40 FIAB O=C(OCc1noc(-c2ccsc2)n1)C1(c2ccccc2F)CCCC1 37151043 MXNOKJZAQZRLGN-UHFFFAOYSA-N 372.421 4.492 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccco2)C1 102603567 XWKWFBCNAZINHU-MLCYQJTMSA-N 368.343 4.215 0 40 FIAB CN(Cc1cccc(NC(=O)c2ccc[nH]c2=S)c1)C(=O)OC(C)(C)C 52777370 HOSSFGRPWQCCRJ-UHFFFAOYSA-N 373.478 4.363 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1 10412386 YLJSHOXUKYNMMD-UHFFFAOYSA-N 359.425 4.254 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1Br 8049693 OEBIBJILEGOHTG-AWEZNQCLSA-N 364.239 4.254 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1ccn(Cc2ccccc2)n1 8162673 SYJOTKQRHKRCAL-UHFFFAOYSA-N 356.813 4.237 0 40 FIAB Cc1c([C@@H](C)NC(=O)Nc2cccc(COC3CCCCC3)c2)cnn1C 84044752 ARFQIMFUILCLBV-OAHLLOKOSA-N 370.497 4.461 0 40 FIAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccc(Br)c2)CCC1 101101913 JLBDZJXSAXHGLU-CYBMUJFWSA-N 361.199 4.067 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 21700064 NETMXMNXZWHUPR-LBPRGKRZSA-N 353.340 4.428 0 40 FIAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 782910 BMKQZCQSMUCDCG-SFHVURJKSA-N 370.452 4.238 0 40 FIAB COc1ccc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)cc1OC 46914380 HFEYGBOBBXIBLT-UHFFFAOYSA-N 362.389 4.119 0 40 FIAB Fc1cc(F)cc(Cc2nnc3sc(-c4cccc(F)c4F)nn23)c1 12391840 RGAGMXOMKTVBDL-UHFFFAOYSA-N 364.327 4.000 0 40 FIAB CCCC(=O)Nc1nc(-c2ccc(OC)c(Br)c2)cs1 17017052 IQUXOCFKSLCFTL-UHFFFAOYSA-N 355.257 4.320 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc3c(c2)NC(=O)CO3)c(C)s1 25048564 DYPAJUYZGMPQGZ-UHFFFAOYSA-N 367.430 4.202 0 40 FIAB Cc1nc(NC(=O)c2ccc(Cl)nc2)sc1Cc1ccccc1F 55579788 KRXZHDVXVNPFQV-UHFFFAOYSA-N 361.829 4.482 0 40 FIAB O=C(CNc1ccccc1N1CCCCC1)N[C@H]1CCCc2ccccc21 12549424 VHKGHFIQHDFWHV-FQEVSTJZSA-N 363.505 4.283 0 40 FIAB COCCN1C(=O)c2ccccc2N[C@H]1c1c(Cl)cccc1Cl 12522952 AXBXMAXMHRSOFJ-MRXNPFEDSA-N 351.233 4.206 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1cnn(Cc2ccccc2)c1 12592121 KMQBHMHAMZHINL-UHFFFAOYSA-N 367.452 4.451 0 40 FIAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)n1c(-c2cccs2)n[nH]c1=S 58458755 GVMPNPKODOFTNS-LLVKDONJSA-N 370.503 4.358 0 40 FIAB NC(=O)Nc1cccc(NC(=O)c2ccccc2SC(F)(F)F)c1 36391312 VOYLCRXWFYRZEC-UHFFFAOYSA-N 355.341 4.041 0 40 FIAB Cc1ccc(NC(=O)[C@@H](Nc2ccn(C)n2)c2ccccc2)cc1Cl 10751815 OUOKPQPIHKMOCB-SFHVURJKSA-N 354.841 4.174 0 40 FIAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 2399237 GKMXYLQARSNOOY-UHFFFAOYSA-N 351.262 4.476 0 40 FIAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccc(Br)cc1 408530727 QWGBQXDPZQYFOI-UHFFFAOYSA-N 373.181 4.264 0 40 FIAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1ccc(F)cc1 3334385 WKJWZCFVCSMJSB-SDNWHVSQSA-N 362.404 4.089 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc3ccccc3c2)c1C 12821229 JAVMWJADZJHBLW-UHFFFAOYSA-N 360.457 4.096 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 12894005 AJNNNDIHDQSGFJ-KKSFZXQISA-N 370.468 4.239 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1nc2ccccc2nc1N1CCCC1 13011517 CODWGZRFLPYVBU-UHFFFAOYSA-N 366.852 4.065 0 40 FIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(C)cc2)c1 6263841 CCGWVMQXLFZQMT-UHFFFAOYSA-N 360.841 4.405 0 40 FIAB Cc1cc(NC(=O)[C@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)no1 8707329 WZFNHATVXPLTLI-LJQANCHMSA-N 362.389 4.225 0 40 FIAB C[C@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1Cl 8746961 UFJIVSVNMKDRMX-NSHDSACASA-N 370.865 4.088 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1coc(-c2ccccc2)n1 6542464 KWKOSZSPMRMUJY-UHFFFAOYSA-N 354.715 4.224 0 40 FIAB COc1cccc(/C=C2/SC(=N)NC2=O)c1OCc1cccc(Cl)c1 5559085 FLRYUQZYEJPKSL-OQLLNIDSSA-N 374.849 4.066 0 40 FIAB NC(=O)Nc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 14506058 RHXHXQKNEZNQFD-UHFFFAOYSA-N 369.808 4.021 0 40 FIAB Cc1ccc(SCCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 115048316 DOGOYIVWSIGCJW-UHFFFAOYSA-N 368.546 4.443 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(Br)c1 6820312 WLPQPCXONRTSOY-UHFFFAOYSA-N 366.689 4.273 0 40 FIAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(Cl)c(Cl)c1 5861219 UBQCRUBTZBNWNS-UHFFFAOYSA-N 365.168 4.162 0 40 FIAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(Cl)cc1Cl 5823057 SKSPRTZLPYSUCS-CYBMUJFWSA-N 372.277 4.488 0 40 FIAB c1ccc2c(c1)OC[C@H](CN1CCC(c3nc4ccccc4s3)CC1)O2 4967393 JKCDJIJATSFBGF-INIZCTEOSA-N 366.486 4.316 0 40 FIAB CCc1ccccc1N(C(C)=O)c1nc(CSc2ncccn2)cs1 6911269 LFGQRLGJROHIOC-UHFFFAOYSA-N 370.503 4.472 0 40 FIAB COc1cccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)c1 5930589 KUFVOVHLJODTTC-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB O=c1c2ccccc2c(-c2cccs2)nn1CCOc1ccccc1F 7023930 XJFQEQVMMVGGBO-UHFFFAOYSA-N 366.417 4.343 0 40 FIAB CN(C)c1ccc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1F 68196648 ZWLDECNPTTYHBN-INIZCTEOSA-N 372.440 4.092 0 40 FIAB COc1ccc(C)cc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 8092427 JTYXZKWRVSNLFL-UHFFFAOYSA-N 366.383 4.093 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCN1C(=O)CSc2ccccc21 8071758 ZVLFSEVMCJKTOR-UHFFFAOYSA-N 360.866 4.116 0 40 FIAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC(C)(C)C 8174432 YAPLLWAWSYWUBB-SECBINFHSA-N 357.401 4.044 0 40 FIAB COc1ccc(CN(C)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)cc1 9867727 SVVCATJXHJGOHQ-HXUWFJFHSA-N 356.466 4.243 0 40 FIAB CCNc1nnc(SCC2(COc3cccc(COC)c3)CC2)s1 89977982 JZBFMNBDLDKFGC-UHFFFAOYSA-N 365.524 4.068 0 40 FIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1sccc1S(C)(=O)=O 79046464 NMQDBFNFVLNGBH-SNVBAGLBSA-N 372.899 4.030 0 40 FIAB CCn1c(NCc2cnc3ccccn23)nc2cc(Br)ccc21 95943691 CEHDXHPAUOTWNZ-UHFFFAOYSA-N 370.254 4.079 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)c(OC)c1 113970650 MPADLXHSRNZIKM-MRXNPFEDSA-N 363.841 4.462 0 40 FIAB CCOC(=O)c1sc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc1C 508794920 KLKGPQQZZKQUQO-UHFFFAOYSA-N 360.410 4.035 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1C(C)C 219298458 RQIHXRVDSNWGID-MSOLQXFVSA-N 355.478 4.469 0 40 FIAB Cc1ccc(-c2csc3ncnc(NCC4(C(N)=O)CCCC4)c23)cc1 523752359 XXDNMHUBGVHEIH-UHFFFAOYSA-N 366.490 4.124 0 40 FIAB Cc1ncc(NC(=O)c2ccco2)n1-c1nc(-c2ccc(F)cc2)cs1 32615887 LVOWJVDLNVYEQY-UHFFFAOYSA-N 368.393 4.289 0 40 FIAB O=C(Nc1ccccc1N1CCCCCC1)c1cc2ccccc2oc1=O 31096972 OTRQLTUHJNMGDW-UHFFFAOYSA-N 362.429 4.426 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OCC 219509575 RSRQWLIRARGIFX-QGZVFWFLSA-N 371.477 4.185 0 40 FIAB COc1ccc(NC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1 32779590 ISXQQUAAJFSISM-UHFFFAOYSA-N 354.328 4.258 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C 72414285 ACDBNFDDYMOPMN-UHFFFAOYSA-N 356.447 4.051 0 40 FIAB CCCCCCn1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O 32975795 MNWUOCZIRJVWBU-UHFFFAOYSA-N 355.482 4.039 0 40 FIAB Cc1ccc2[nH]c(CSCC(=O)Nc3cccc(Cl)c3)cc(=O)c2c1 33063994 NXOYTICZMOKXRU-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)SCCOc2ccc(F)cc2)cc1 32772093 YQQKENSGIGUFPQ-AWEZNQCLSA-N 361.438 4.168 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)c1cn[nH]c1-c1ccc(Cl)cc1 72328906 ZVJCGYODDHCYNF-UHFFFAOYSA-N 360.244 4.356 0 40 FIAB CCOc1c(Cl)cc(CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1OC 561395270 BMNUWQXNEJILIF-INIZCTEOSA-N 363.889 4.424 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)c(C)c1 223553793 LVANNNZZTLVKST-GFCCVEGCSA-N 351.497 4.061 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2C)c(C)c1 44903389 XAFDOGKQODQQJZ-SFHVURJKSA-N 355.434 4.276 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)N[C@@H](C)CC 225748045 OEYOTPAZPZLLTB-BLLLJJGKSA-N 373.324 4.425 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 224874826 WOQKBFFLASIAQR-UHFFFAOYSA-N 365.760 4.181 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NCC 224514719 MLHUWJUBVCGUHW-HNNXBMFYSA-N 359.297 4.037 0 40 FIAB Cc1cc(NC(=S)NCc2cccc(F)c2)ccc1Br 225836796 HFOJKYVTDMZKHY-UHFFFAOYSA-N 353.260 4.383 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=O)c1cc(C(C)C)c(OC)cc1C 225669399 RDUAFAASJRGJSZ-MRXNPFEDSA-N 371.477 4.333 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1C 242810671 FJGVQAQTBZXRDK-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB O=c1nc2n(nc1-c1ccccc1)[C@@H](c1ccccc1F)Nc1ccccc1-2 585157961 XQLKAZXEYWKJPV-FQEVSTJZSA-N 370.387 4.084 0 40 FIAB C[C@@H]1[C@H](c2ccc(F)c(F)c2)CCN1[C@H](C(=O)O)c1ccc(F)c(F)c1 1776589219 ROJJFEVOTVDMPL-ZEWFUEFWSA-N 367.342 4.247 0 40 FIAB Cc1cc([C@@H](C)NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(C)s1 112743308 LOBGMQHCFRZKHX-CYBMUJFWSA-N 360.527 4.051 0 40 FIAB c1cncc(COCC[C@@H]2CCOC23CCN(Cc2ccsc2)CC3)c1 585104425 IHXUZETUEOONJE-HXUWFJFHSA-N 372.534 4.121 0 40 FIAB Cc1ccc(CNC(=O)N2CC3(C2)CC3(F)F)c(O[C@@H](C)CC(C)C)c1 654488518 WILCASGCSFYWEL-HNNXBMFYSA-N 366.452 4.359 0 40 FIAB O=C(c1cc(I)cc(C(F)(F)F)c1)C(F)(F)F 114959608 POQJFCMFPHSTLX-UHFFFAOYSA-N 368.014 4.055 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCCCCC2)cc1 11915576 LNEWDIHYJHALCO-OAQYLSRUSA-N 370.468 4.181 0 40 FIAB biogenic COc1cccc(F)c1-c1nc(C)c(C(=O)NCCc2ccccc2)s1 12409802 SJALMKXWRUKSSI-UHFFFAOYSA-N 370.449 4.239 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccc(C)cc2)c1 14397302 WBRJJQNLTCWSLX-UHFFFAOYSA-N 361.825 4.233 0 40 FIAB CC(C)c1nccn1[C@@H](C)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19454267 XSINIWNVHMKVNN-DLBZAZTESA-N 373.472 4.024 0 40 FIAB CCc1noc(CC)c1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 19521311 KNGLUAZGPOHUHW-UHFFFAOYSA-N 371.412 4.100 0 40 FIAB CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CC(C)(C)C 19017478 GMVQUZUVGVNJSF-VWPQPMDRSA-N 370.537 4.208 0 40 FIAB O=C(C1CCCC1)N1CCC[C@@H](c2nnc(Cc3ccccc3)s2)C1 36705237 IBBUAHGSBNLYCH-QGZVFWFLSA-N 355.507 4.025 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)CCC(F)(F)F)CC[C@@H]2N1c1cccc(F)c1 2037988467 LQCHGFDVPULQRY-CJNGLKHVSA-N 372.406 4.374 0 40 FIAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690044 BXKQESUUVXUDLL-PBHICJAKSA-N 370.522 4.189 0 40 FIAB O=C(/C=C\c1ccccc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140264 UHVPFPUIRJHOPN-BLIJAFNYSA-N 365.458 4.218 0 40 FIAB COc1cc(CNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OC(F)F 10441023 HGDASVJPVWKQBE-UHFFFAOYSA-N 365.420 4.129 0 40 FIAB O=C(Nc1nc2ccc(Br)cc2s1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100549353 TXCYXHLIVICUCX-FXPVBKGRSA-N 351.269 4.434 0 40 FIAB Cc1ccc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 803830 RLTJVGPBZBCJDE-UHFFFAOYSA-N 367.352 4.338 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(COc3ccccc3C)o2)cc1 875871 XBRCKGDKPBWJOB-UHFFFAOYSA-N 354.431 4.240 0 40 FIAB CN(c1ccccc1)[C@@H](c1ccc(F)cc1)c1nnnn1C1CCCC1 883962 AKPJZWIVEBEZFM-IBGZPJMESA-N 351.429 4.153 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 1506810 MZCKDCXMYULSSC-YBEGLDIGSA-N 357.793 4.092 0 40 FIAB COc1ccc(C[C@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@H]23)cc1 1751957 PGNOGIIKLDFGGD-GMAHTHKFSA-N 370.452 4.111 0 40 FIAB CCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2111335 JFPQRIXQJCKOPU-ZVQQDINOSA-N 362.473 4.113 0 40 FIAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)NC4CCCC4)c(C)c3cc12 2149398 ZEXCKAGHXFVLIN-UHFFFAOYSA-N 353.418 4.147 0 40 FIAB biogenic Cc1ccccc1Cc1nnc2sc([C@H](C)Oc3ccccc3)nn12 2183303 PDFNODXHZCCBJX-AWEZNQCLSA-N 350.447 4.225 0 40 FIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)c1C 2723054 MEBNUGSVAFFCEE-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2nc3ccccc3s2)c1 3524137 RFCQNEPUERZJPX-UHFFFAOYSA-N 363.236 4.320 0 40 FIAB CC(=O)c1cccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 4861791 JMTRASCEMVAXTE-INIZCTEOSA-N 362.433 4.177 0 40 FIAB O=C(C[S@@](=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 5278070 JTNFHHXNNYOWKN-QHCPKHFHSA-N 361.772 4.105 0 40 FIAB CCc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1cccc(Cl)c1Cl 5391281 LTTRGJNBEPGPJY-SECBINFHSA-N 371.220 4.036 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2c(F)cccc2Cl)c1 5510304 GSQUJHMDIPZYGY-JXMROGBWSA-N 363.816 4.168 0 40 FIAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 5795402 PAVYYHVWSGQLET-QGZVFWFLSA-N 374.824 4.052 0 40 FIAB O=C(Cc1cccs1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6607184 WIOMIBQDVHLOJQ-UHFFFAOYSA-N 373.865 4.185 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)[C@H]1C 6794995 APIOFWMIYQNSTG-XETNVZRVSA-N 364.574 4.429 0 40 FIAB CC[C@@H](C)[C@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 6933985 IQIOLCJHRZWOLS-JLTOFOAXSA-N 367.445 4.367 0 40 FIAB biogenic CCc1nnc(S/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)O)[nH]1 7342571 ZUCLGEINHGCNCT-DHDCSXOGSA-N 356.451 4.121 0 40 FIAB CCCSc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)s1 7397670 JHOFLDRSYJESIU-MRVPVSSYSA-N 374.944 4.208 0 40 FIAB Cc1ccc2c(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)coc2c1C 7831587 RAROWFNMIZTALC-UHFFFAOYSA-N 373.456 4.436 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccccc2Cl)CC1=O 7928183 JASKJGZNNTYWGY-MRXNPFEDSA-N 370.880 4.456 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 8480312 XZNBKFLCHWPRGO-HXUWFJFHSA-N 368.477 4.273 0 40 FIAB O=C(Cc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCCCCC1 8863072 AYUZWURHAHDCCU-LJQANCHMSA-N 360.498 4.163 0 40 FIAB C[S@](=O)c1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 10412561 ATDMEHHCYVPGDN-IQMFZBJNSA-N 365.907 4.044 0 40 FIAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 10463188 QUAUAGWREQMGRZ-UHFFFAOYSA-N 365.760 4.348 0 40 FIAB CCNc1nc(S[C@H](C)C(=O)N(C)C2CCCCC2)nc2ccccc12 11109670 JGZLGHJKHOJMNY-CQSZACIVSA-N 372.538 4.333 0 40 FIAB O=C(C1CCCCC1)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 12291535 RKZKJGOZRZTSJS-JOCHJYFZSA-N 370.537 4.065 0 40 FIAB CCCSc1nc2ccccc2n1[C@@H](C)C(=O)NCc1ccccc1 12520341 YYMDHHZYPUYJSP-HNNXBMFYSA-N 353.491 4.416 0 40 FIAB COC(=O)c1ccc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 12547204 XXEJOUYZPZXRBJ-NSHDSACASA-N 374.343 4.136 0 40 FIAB Cc1cc(Br)ccc1NC(=O)/C=C/c1cnc2ccccc2n1 12876867 XJDPVACADPEOJP-VQHVLOKHSA-N 368.234 4.353 0 40 FIAB CCc1cccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)c1 13001636 DYNPXCOBRLLFCD-UHFFFAOYSA-N 352.463 4.117 0 40 FIAB COc1cc2c(cc1O)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2 13449409 DJRBBQJREIMIEU-LJQANCHMSA-N 365.473 4.058 0 40 FIAB endogenous,world Cc1ccc(COc2ccccc2C(=S)N2C[C@H](C)O[C@H](C)C2)cc1 13547773 LVCCXBPIAGDXRV-CALCHBBNSA-N 355.503 4.359 0 40 FIAB Cc1ccc(-n2nc(C(=O)N3CCC(C)CC3)nc2-c2ccccc2)cc1 13568877 DSLFXGUSWZMYNU-UHFFFAOYSA-N 360.461 4.115 0 40 FIAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1 13682794 KACOOXAFZOFOBC-UHFFFAOYSA-N 364.268 4.216 0 40 FIAB Cc1ccnc(NC(=O)CCn2ccc3ccc(Br)cc32)c1 13731278 YEPFHOYASWNWAZ-UHFFFAOYSA-N 358.239 4.136 0 40 FIAB Cc1ccc(SCCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C 14093376 CAUYTKHXGNKJOM-UHFFFAOYSA-N 356.491 4.126 0 40 FIAB CC(C)C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 18131086 ZMMYJTGDEVOGQF-HXUWFJFHSA-N 350.462 4.331 0 40 FIAB COc1cc(CNC(=O)c2ccoc2C)ccc1OCc1ccccc1 18161095 RTHIFQYBIWPCSI-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB CC(C)c1nnc(NC(=O)CC2CCN(C3CCCCC3)CC2)s1 19748753 WJVAYTZSKFWOKB-UHFFFAOYSA-N 350.532 4.035 0 40 FIAB CCOc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCC 19872007 GPNXIOHGRPOPIQ-IFXJQAMLSA-N 363.885 4.349 0 40 FIAB COc1ccc2nc(N3C(=O)CS[C@H]3c3ccccc3OC)sc2c1 19927221 WYMXGRIDCVXZSW-KRWDZBQOSA-N 372.471 4.092 0 40 FIAB CCOc1cccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20141416 BLELKCUKOHAQQM-UHFFFAOYSA-N 354.189 4.343 0 40 FIAB COc1ccccc1CNC(=O)c1ccc2nc(C(F)(F)F)sc2c1 20427093 GEXZDMBUUQRQDE-UHFFFAOYSA-N 366.364 4.254 0 40 FIAB CCc1ccc(Cn2nccc2NC(=O)CCc2ccc(OC)cc2)cc1 21599537 UPHNNFYKRGMFPM-UHFFFAOYSA-N 363.461 4.074 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 22540343 FFADQWQXLIPXBS-QGZVFWFLSA-N 361.507 4.358 0 40 FIAB CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c2cc(Cl)ccc21 22606030 OSNCPSSSUHXQQB-GFCCVEGCSA-N 372.827 4.305 0 40 FIAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1cccs1 22766077 JYSDDOSAOYSAJT-GOSISDBHSA-N 368.527 4.339 0 40 FIAB O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 24171958 NPTYQXQOGKDEFF-UHFFFAOYSA-N 354.333 4.037 0 40 FIAB COc1ccc2cc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c(C)nc2c1 25145351 ZJMHUYLGBRPFBQ-UONOGXRCSA-N 366.383 4.403 0 40 FIAB CC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2OC(F)(F)F)cc1 25235522 MCTDOWVVRQODAR-UHFFFAOYSA-N 366.339 4.452 0 40 FIAB O=C(Nn1cnc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12 27041368 UOAOUODKPVXIHO-UHFFFAOYSA-N 365.396 4.030 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1cccs1)C1CC1 30302841 KBJTYYPZNKXBCP-UHFFFAOYSA-N 365.502 4.284 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)ccc2[nH]1 32465990 RNOFXFCCTDPSAK-PBWFPOADSA-N 353.466 4.194 0 40 FIAB Cc1ccc(N2CSC3=N/C(=C\c4ccccc4)C(=O)N3C2)cc1Cl 35682031 NWKQSFIDEOQLAW-MFOYZWKCSA-N 369.877 4.356 0 40 FIAB CC(C)c1nnc(NC(=O)Cc2csc(-c3ccccc3F)n2)s1 36360561 GSZPHXFNBZASHL-UHFFFAOYSA-N 362.455 4.105 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 38500702 KQGGILFPISGDBQ-GDBMZVCRSA-N 373.472 4.355 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 38849473 DPKJURFIRHEUIE-UHFFFAOYSA-N 352.478 4.488 0 40 FIAB CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccnc1 40068929 VUDGGJLFFASUOV-APWZRJJASA-N 368.477 4.368 0 40 FIAB Cn1cc(-c2nc(CNC(c3ccccc3)c3ccccc3)cs2)cn1 40149666 BPTDNBJIHIVRRX-UHFFFAOYSA-N 360.486 4.423 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1cc(F)ccc1F 43277812 NSZHINBFHIDSDU-UHFFFAOYSA-N 371.431 4.262 0 40 FIAB CC(C)c1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1 44077883 TUVCHOIZEUPOGP-UHFFFAOYSA-N 367.518 4.423 0 40 FIAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 47985534 BADSUIBBXYULLJ-LBPRGKRZSA-N 373.403 4.048 0 40 FIAB O=C(NCCCn1cccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 49028483 HFXJXEICIMCCQZ-UHFFFAOYSA-N 364.289 4.346 0 40 FIAB C[C@@H](Sc1nnnn1C1CC1)c1cccc(NC(=O)c2ccccc2)c1 53636022 OVLYCZIPNIQWIA-CYBMUJFWSA-N 365.462 4.114 0 40 FIAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1ccc2c(c1)COC2 64389691 DODDFSVNZGJOCL-UHFFFAOYSA-N 358.369 4.371 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c2ccccc12 71282999 UKDIVENHIQYWCR-HNNXBMFYSA-N 351.406 4.043 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1)C2 102148674 VSQDDFKYLMLNHX-BREDGVMVSA-N 369.509 4.014 0 40 FIAB C[C@H]1CCN(C(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2S1 104006992 RXFLDNDUBDSTDE-QAETUUGQSA-N 373.518 4.273 0 40 FIAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222664011 AVYQVMSOMAIFIC-ATZDWAIDSA-N 353.491 4.460 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cc(C)cc(C)c1 224092501 GHKUNCCQHABZKI-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225741108 AFAFHVFJQQITAV-SFHVURJKSA-N 357.878 4.289 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(C)cc2N)c1 226331559 LBPROMCVRKSHBS-HNNXBMFYSA-N 353.466 4.217 0 40 FIAB COC1(OC)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)CC[C@@]4(O)[C@H]3CC[C@@]2(C)C1 253617592 XHSWJTDGBUQZOI-XFCNUXQOSA-N 364.526 4.092 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3ccccn3)C2)o1 257341412 ZKEQYLGZLZVSLE-MRXNPFEDSA-N 362.429 4.419 0 40 FIAB CC(C)Cn1ccc2c(C(=O)N[C@H]3CCCc4nc(O)ccc43)cccc21 516387683 WEOMQZRTMDXRAY-IBGZPJMESA-N 363.461 4.205 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Oc2ccncc2)c(Cl)c1 571038189 SKFYFHCOOFAZHE-SRCQZFHVSA-N 358.825 4.423 0 40 FIAB COc1cccc([C@H]2C[C@@H](O)CN2C(=O)c2coc3cc(C)c(C)cc23)c1 669740948 FCOJURHDTTWJED-OXQOHEQNSA-N 365.429 4.006 0 40 FIAB Cc1cccnc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615154218 FQGXXNRPNZJXTB-APWZRJJASA-N 367.468 4.049 0 40 FIAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC(C)C)c2C(N)=O)C1 671182 ZMVRZAIKUVVQAH-LBPRGKRZSA-N 350.528 4.373 0 40 FIAB COc1ccc(CN(C(=O)c2ccco2)c2ccc(C)cc2)cc1OC 873711 VLCGMWOTEWSJRJ-UHFFFAOYSA-N 351.402 4.452 0 40 FIAB COc1ccc(O)c(C(=O)[C@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)c1 1046067 INLBTJWNEMKYDO-OAQYLSRUSA-N 373.408 4.294 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Oc3ccccc3)cc2)NC(=O)N1 1082696 XXRGXZUMOOUFEZ-LJQANCHMSA-N 366.417 4.058 0 40 FIAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc3ccccc23)c1 1288266 VKXPVPOINPQONA-OUKQBFOZSA-N 361.397 4.044 0 40 FIAB CC(C)Oc1ccc([C@H](CCN2C(=O)CCC2=O)Cc2ccccc2)cc1 1321719 QCTPMNYOYAFXMY-HXUWFJFHSA-N 365.473 4.339 0 40 FIAB biogenic O=c1cc(-c2cc(Br)cc3c2OCOC3)oc2ccccc12 1447926 IDISCOUJVZXDGO-UHFFFAOYSA-N 359.175 4.089 0 40 FIAB O=c1oc(-c2ccccc2)nc2c1sc1nc(-c3ccccc3)oc(=O)c12 1582606 AREJKNMTJLOWIZ-UHFFFAOYSA-N 374.377 4.085 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccccc2F)n1 2797834 OORIEEPNZXVBEJ-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB Cc1cc2ncn(C[C@@H](O)CO[C@H](C)c3ccc(Cl)cc3)c2cc1C 3334875 LPIAIIBCPVUIQU-CRAIPNDOSA-N 358.869 4.445 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)cc1 3584463 LJUUBTKZZNIKME-UHFFFAOYSA-N 367.493 4.013 0 40 FIAB COc1ccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 4482017 NIXANVSFKYDSKY-GJZITSJHSA-N 354.277 4.490 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)[nH]c2c1 4484688 MHWLUWCEXPLFNJ-QWHCGFSZSA-N 367.474 4.030 0 40 FIAB O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccc(Cl)cc2)o1 4496790 ASCDVUBHQYPMAM-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB CNC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc(C)c1C 4570456 AJLCLMYQZRYGSJ-UHFFFAOYSA-N 357.262 4.284 0 40 FIAB CCc1cc2ccc(OC)cc2nc1SCC(=O)NC1CCCCC1 4849377 XQIJVPLDKOWEMD-UHFFFAOYSA-N 358.507 4.347 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccoc2COc2ccccc2)cc1 5033027 KOEVLLUAFNGXIU-UHFFFAOYSA-N 350.374 4.069 0 40 FIAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCc1ccc(Cl)c(Cl)c1 5223419 IDEPQUYHJPGLLV-HNNXBMFYSA-N 370.232 4.084 0 40 FIAB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2cccc(Cl)c2)c1=O 5270582 VDXHCONQCKGQRH-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 5611916 UFSIKGQICKKETJ-SFHVURJKSA-N 373.452 4.067 0 40 FIAB CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2[C@@H](C)CC 5676990 ZOQBVMFKJDLGCC-MEDUHNTESA-N 361.467 4.383 0 40 FIAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 5980637 VXZQZCBQALHONX-ZNLUXHQJSA-N 369.461 4.187 0 40 FIAB biogenic Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccc(F)cc3)cn12 6309186 TWJYFYDSBMWQJO-UHFFFAOYSA-N 352.394 4.158 0 40 FIAB aggregator CC(C)/N=C1\S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1C(C)C 6324842 WTHLFPWXTQHQME-QWTILCQQSA-N 367.858 4.337 0 40 FIAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1 6384121 LUUZHFHNGCUYDG-OAHLLOKOSA-N 372.424 4.434 0 40 FIAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc2ccccc2c1 6635726 VFALNKWAHMQNST-GFCCVEGCSA-N 354.793 4.072 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C)c3)n2)cc1 6811719 LJQIWUIWLQRAEA-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1SC[C@@H]1CCCO1 7922484 DYFQKDLTSNHQAV-MAUKXSAKSA-N 369.486 4.211 0 40 FIAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(F)(F)F 8071154 UEEYWLKKEUPLRJ-UHFFFAOYSA-N 370.334 4.383 0 40 FIAB CC(C)COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 8073763 GYPXMYMRTWQUGT-UHFFFAOYSA-N 366.461 4.210 0 40 FIAB Cc1ccc(C(=O)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 8549932 KDSHXNSIMYHFJX-UHFFFAOYSA-N 350.462 4.334 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3C)[nH]2)cc1 8770077 PXXGGRCRRMJMLS-UHFFFAOYSA-N 367.474 4.433 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCC2)cc1C 9550370 CLCIFBRIPCXVPU-VAWYXSNFSA-N 357.457 4.402 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)c(OC)c1OC 9973447 FMFYUFFHYOJFFE-JXMROGBWSA-N 361.825 4.326 0 40 FIAB COc1ccc(F)cc1C(=O)COC(=O)c1occc1-c1ccccc1 10805419 FXHGOAYQXSMAPL-UHFFFAOYSA-N 354.333 4.134 0 40 FIAB O=C(COc1cccc(F)c1)NCc1ccc(-c2ccc(Cl)cc2)o1 10810892 WNFRHBJTBMNBAD-UHFFFAOYSA-N 359.784 4.434 0 40 FIAB COc1cc(OC)c(NC(=O)CCc2c[nH]c3ccccc23)cc1Cl 11601417 CDEMNSXNKHGVFA-UHFFFAOYSA-N 358.825 4.410 0 40 FIAB Cc1ccc(OCCN(C)Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)cc1 12085209 YKNFPKVGLIXEIN-FQEVSTJZSA-N 365.477 4.234 0 40 FIAB CCn1/c(=N\C(=O)c2ccc(Br)s2)sc2ccccc21 12180875 QNYANWMXPKGPNU-JQIJEIRASA-N 367.293 4.288 0 40 FIAB CCN(CC)CCNc1ncc(-c2cccs2)c(-c2nccs2)n1 12274908 QXSZPFQRIFTZDG-UHFFFAOYSA-N 359.524 4.082 0 40 FIAB O=C(Nc1cc(Cl)cc2cccnc12)c1ccc(N2CCCC2=O)cc1 12545519 RXOOJPBBEOSTJF-UHFFFAOYSA-N 365.820 4.267 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3OC)cs2)cc1 12897781 BFQQNKQGAWJWIJ-ZDUSSCGKSA-N 368.458 4.318 0 40 FIAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)[nH]c1=S 13073097 KRCFWHOFXMEQDR-UHFFFAOYSA-N 362.861 4.490 0 40 FIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(O)cc1 15669604 JVFCZUUNUMUWCX-UHFFFAOYSA-N 357.797 4.057 0 40 FIAB O=c1c(CN(Cc2ccccc2F)C[C@H]2CCCO2)coc2ccccc12 19348736 JRDPQCYPPRYWMF-GOSISDBHSA-N 367.420 4.113 0 40 FIAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)o1 23937983 COKZBVIEVBRHAJ-AWEZNQCLSA-N 353.447 4.189 0 40 FIAB CC(C)[C@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 27235113 STAKUSLBPQYKBA-YADHBBJMSA-N 373.924 4.300 0 40 FIAB O=C(c1cc(-c2cccs2)on1)N1CCN(c2cccc(Cl)c2)CC1 27995345 RRHFVFPWCZZMKX-UHFFFAOYSA-N 373.865 4.019 0 40 FIAB COc1ccc(N(CC(=O)c2ccccc2C)C2=NCCCC2)cc1OC 28527721 FXJUYWHWSFZDLQ-UHFFFAOYSA-N 366.461 4.284 0 40 FIAB O=C(COc1ccccc1Cl)Nc1noc(-c2cccc(Cl)c2)n1 32624175 WKODTVTYBAFSCC-UHFFFAOYSA-N 364.188 4.061 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)NC1CCCCCCC1)c1cccc(F)c1 32809169 UONJXVSNRGSZKI-SFHVURJKSA-N 358.461 4.061 0 40 FIAB O=C(CCCc1cccs1)NCc1ccc(OCc2cccnc2)cc1 32930339 OHUPWWSSWUZMMH-UHFFFAOYSA-N 366.486 4.361 0 40 FIAB CCCCN(C(=O)c1cccc(C)c1)c1nc(C)c(C(=O)OCC)s1 36612106 FHDAKXDMIHQZME-UHFFFAOYSA-N 360.479 4.384 0 40 FIAB CCN(C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C)c1ccccc1 36616368 XRFHFNMUEINODH-UHFFFAOYSA-N 360.417 4.203 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)[C@H](C)n3ccnc3)sc2C)cc1 40145038 UAGIHZPELQTZLS-ZDUSSCGKSA-N 354.479 4.467 0 40 FIAB CC(C)COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1cccnc1 40266695 AGXUFHZISXEWLP-KRWDZBQOSA-N 362.433 4.426 0 40 FIAB C[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc2c(c1)CC(=O)N2 46224333 AGJYRIVRCUFGFY-LBPRGKRZSA-N 364.376 4.071 0 40 FIAB Cn1cc(-c2nc(C(=O)Nc3ccccc3OC3CCCC3)cs2)cn1 46665540 CIQQFNZZVJXGQH-UHFFFAOYSA-N 368.462 4.117 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H](C)c2cnn(C)c2C)cc1 47007090 HCPJRTLQQLPULO-YWZLYKJASA-N 370.497 4.125 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)c3ccccc3Oc3ccccc3)C2)n1 54661508 VEIKKNXSTCLQTH-INIZCTEOSA-N 363.417 4.190 0 40 FIAB CN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc2ccccc12 56225309 GTBYRLYQEGDZTD-UHFFFAOYSA-N 358.441 4.239 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 58061828 BVQJJTXFMDUNNN-SFHVURJKSA-N 353.397 4.125 0 40 FIAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCO[C@H](c2ccccc2)C1 58165887 KIMXUQREBRVDJC-NRFANRHFSA-N 360.413 4.088 0 40 FIAB C[C@H](c1ccc(F)cc1)N(C)Cc1nc2sccn2c1Br 58283638 IWNXCGKVBIWLCT-SNVBAGLBSA-N 368.275 4.490 0 40 FIAB O[C@H]1Cc2ccccc2[C@H]1NCC1=Cc2cc(Cl)cc(Cl)c2OC1 60332804 PMLGJPGTCGOZKL-ZWKOTPCHSA-N 362.256 4.017 0 40 FIAB O=S(=O)(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccccc1 60950437 CQZWBSRPYVLYJG-UHFFFAOYSA-N 356.428 4.357 0 40 FIAB CC(C)OCc1cccc(NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c1 63816071 AOBHNEPWFZIECZ-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(-c2ccc(F)cc2)o1 69325738 AOZASFXYLKALNH-UHFFFAOYSA-N 361.376 4.201 0 40 FIAB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 71785110 IHDFXAYYAHEPNS-CXDWSEFESA-N 364.489 4.036 0 40 FIAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349138 DMDWNMFJQXGHTB-QGZVFWFLSA-N 361.420 4.303 0 40 FIAB Cc1cccc(N2CCN(c3nc(-c4cccnc4)nc(C)c3C)CC2)c1C 78804639 QWGYWYCSXLGNNS-UHFFFAOYSA-N 373.504 4.099 0 40 FIAB Cc1nc(C)c([C@H](C)NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)s1 84008088 SLLCXCSIDGUJOM-HNNXBMFYSA-N 366.552 4.342 0 40 FIAB C[C@@](O)(CNC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1 96025777 INEYOOPHLAXLIF-JOCHJYFZSA-N 369.530 4.353 0 40 FIAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1 96183731 SCDKXFPLJTYLNR-QHCPKHFHSA-N 374.484 4.444 0 40 FIAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c[nH]c(=S)n1-c1ccccc1 97597489 MPWWENFOHXNERH-NWDGAFQWSA-N 369.412 4.386 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2F)C[C@H](c2ccccc2)C1 102590708 PCCQDTJBJBCMEV-XOBRGWDASA-N 360.392 4.482 0 40 FIAB COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1Cl 105589318 CNNLIIKRURNZMB-UHFFFAOYSA-N 374.245 4.005 0 40 FIAB O=C(CCC(=O)N1CCS[C@H](c2ccccc2)CC1)c1ccccc1 218970616 OWRQZZGMROFLNI-FQEVSTJZSA-N 353.487 4.356 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 222988221 FAFFOJHJPPBPHB-FQEVSTJZSA-N 368.477 4.239 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1cccc(C)c1 224108017 FABBEOYWRZATDC-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)c1 224230127 FTWOUBKBMXDXBP-WOJBJXKFSA-N 362.502 4.214 0 40 FIAB CCc1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)cc1 224852463 WSKMTRBFCYKCOF-UHFFFAOYSA-N 350.418 4.484 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c(C)c1C 225685239 RWLASDWCEUETIH-GOSISDBHSA-N 361.507 4.378 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1C 225790674 PRIRLPPRXZWKJN-CYBMUJFWSA-N 350.434 4.336 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3cc(C)cc(C)c3)n2)cc1 225815831 IAZDYHFBCZLSNA-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 225969689 BCSQWLVRYKMBJS-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB O=C(O)c1ccc(-c2ccccc2NC(=S)NC(=O)C2CCCCC2)o1 226351785 MGFBIZDIJSWVPT-UHFFFAOYSA-N 372.446 4.038 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(Cl)ccc1Cl 408622229 OSYUEJLGFZDFCA-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB C[C@@H](c1cccc2ccccc12)N1CCC(C(=O)NCC(F)(F)F)CC1 518566812 FXQMVFPRNIDIKQ-AWEZNQCLSA-N 364.411 4.291 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H](C)C1 525121535 RJBMBOUYBNFHAH-LNLFQRSKSA-N 352.478 4.148 0 40 FIAB O=C(O)c1sc2cccc(F)c2c1CN1CC[C@H](c2cccnc2)C1 652391377 VZSAWJINQKHTHV-ZDUSSCGKSA-N 356.422 4.123 0 40 FIAB Cc1ccc(C(=O)NCCC2CCNCC2)c(Sc2ccccc2)c1 653273302 WORWKCKLSISFKQ-UHFFFAOYSA-N 354.519 4.266 0 40 FIAB COc1ccc(OC)c(-c2csc(N(C)C(=O)Cc3ccccc3)n2)c1 880991 VKUXMBONWYCIJH-UHFFFAOYSA-N 368.458 4.033 0 40 FIAB CCOC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2cccs2)n1 1415726 ZRHAQMYPAKOKFL-UHFFFAOYSA-N 373.381 4.253 0 40 FIAB Cc1cccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)c1 2395787 OSDKCAJHPQFVEQ-UHFFFAOYSA-N 361.224 4.184 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1C 2434364 CRZJCJQHEHRHCH-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB CN(C)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 2617428 KBDQPSCJDNDDCB-UHFFFAOYSA-N 371.436 4.364 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1ccccc1 2723002 IFATWQXWYJCZCN-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1Cc1ccccc1 3900157 KDLVPIKSKKRFOT-NTCAYCPXSA-N 354.409 4.321 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccccc1F 4120566 QKHYLUKWKBTMGX-UHFFFAOYSA-N 354.406 4.317 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)OCc2ccc(F)cc2)c1 4524434 FREMFPPRNIQECB-UHFFFAOYSA-N 355.365 4.367 0 40 FIAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 4750061 GBACYOBJDZLNPJ-UHFFFAOYSA-N 359.401 4.063 0 40 FIAB Cc1c(C(=O)CSc2ncn(-c3ccccc3)n2)c2ccccc2n1C 4999352 PFWXHTRRAAFRKS-UHFFFAOYSA-N 362.458 4.042 0 40 FIAB COc1cccc(-c2nc(CCNC(=O)/C=C/c3ccccc3)cs2)c1 6661411 CSADQHPLVJGIEY-ZHACJKMWSA-N 364.470 4.191 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 6753708 GWJJYYGWDIFVDD-RQJZOYDLSA-N 356.510 4.139 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 6881130 SDVYUEUVEVESPV-MRXNPFEDSA-N 364.445 4.209 0 40 FIAB CCN(CC)C(=O)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 7419753 MEUHKPSWWJPOED-QGZVFWFLSA-N 370.522 4.192 0 40 FIAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 7909570 OYLLRROHENDDFH-QGZVFWFLSA-N 367.474 4.081 0 40 FIAB COc1ccc(CCNC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 7976512 JQWFEZZLECQGPT-UHFFFAOYSA-N 359.640 4.023 0 40 FIAB CCOc1ccc([C@H]2CCCN2Cn2nc(C3CC3)n(C)c2=S)cc1 8189736 BCSFTZZLQMYXDK-QGZVFWFLSA-N 358.511 4.022 0 40 FIAB C[C@@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccccc1 8193151 WFUTWPLVGUEYJH-CXAGYDPISA-N 350.447 4.181 0 40 FIAB CCOc1cc(CNCCCNC)ccc1OCc1ccc(Cl)cc1 8254523 UECZYKDQWNOVSJ-UHFFFAOYSA-N 362.901 4.017 0 40 FIAB O=C(Cc1cccc2ccccc12)NCC(=O)Nc1ccc2ccccc2c1 8288094 PEXBGHIBCZANDX-UHFFFAOYSA-N 368.436 4.290 0 40 FIAB CC(C)(C)NC(=O)CNc1ncnc2cc(-c3ccc(Cl)cc3)sc12 9153886 JANVMJFKBORNKC-UHFFFAOYSA-N 374.897 4.338 0 40 FIAB COc1ccc(-c2cc(=O)n3c4ccccc4nc3n2CCC(C)C)cc1 9288142 GRPUEZXNWGMIBJ-UHFFFAOYSA-N 361.445 4.371 0 40 FIAB C[C@@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NCc1cccs1 10949459 AYUGMDVIYBDZRX-GFCCVEGCSA-N 369.515 4.366 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc2nc(N3CCCC3)sc2c1 10985542 IMTDQSHKMFPZBT-UHFFFAOYSA-N 370.478 4.073 0 40 FIAB O=C(Nc1ncc(-c2cccnc2)s1)c1cc(C2CCCCC2)no1 12148402 OOQICWXYYVPFMD-UHFFFAOYSA-N 354.435 4.493 0 40 FIAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1occc1C 12595446 IKDAUAQHMMLGTD-UHFFFAOYSA-N 362.378 4.476 0 40 FIAB C[C@@H](c1ccc(F)cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12776325 ZLWYUOVVOINETI-HNNXBMFYSA-N 369.436 4.253 0 40 FIAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccoc1 12860913 QFLNNCSJZNQRNW-UHFFFAOYSA-N 357.413 4.405 0 40 FIAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1 12998102 SUBRNKMTPGTDBM-MRXNPFEDSA-N 364.898 4.021 0 40 FIAB Cc1cccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)c1 13695320 WTASGMXSUSQIDW-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB COc1ccc(OCCN(C)C(=O)c2ccc3cc(OC)ccc3c2)cc1 14189860 JPFCIZLDAWMCBP-UHFFFAOYSA-N 365.429 4.008 0 40 FIAB COc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c(OC)c1 15840191 ZLCRYQWTCNVPFQ-UHFFFAOYSA-N 374.487 4.378 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 18204476 LXCKEMLQCWJGNJ-OLZOCXBDSA-N 363.841 4.002 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)CCc1nc(-c2ccccc2)no1 19295576 IFZFVRDFYFFLPO-UHFFFAOYSA-N 373.815 4.120 0 40 FIAB O=C(NCc1nnc(-c2cccs2)o1)c1ccc(Cl)c(Cl)c1 19344901 METFFEOCEVCAEJ-UHFFFAOYSA-N 354.218 4.035 0 40 FIAB COc1ccc(-n2ncc3c2C[C@@H]2CC[C@H]3N2Cc2ccccc2F)cc1 19558912 HYGFABWNHCPDCR-LAUBAEHRSA-N 363.436 4.282 0 40 FIAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)C3CCCC3)cc2N1 19574655 GIBBRCVJIYFOFF-BYCMXARLSA-N 370.419 4.044 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2)cc1OC 20108928 XAORZXYIKGLBRJ-HUUCEWRRSA-N 359.491 4.370 0 40 FIAB COc1cc(OC)c(NC(=O)Cn2ccc3ccc(F)cc32)cc1Cl 20745078 WTXKVPDEKKFAKC-UHFFFAOYSA-N 362.788 4.090 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)N(C)Cc3ccsc3)c(=O)oc2c1 21935861 YRRQKDHIJBUBJO-UHFFFAOYSA-N 355.459 4.063 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 22193382 AEJXQBZEGWDHJF-LBPRGKRZSA-N 374.893 4.352 0 40 FIAB CNc1nc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc12 24928768 BKYIRPCBPBQNBN-SNVBAGLBSA-N 374.416 4.069 0 40 FIAB CCCCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl 27823856 KFXGEZQEBUONTI-CJNGLKHVSA-N 359.919 4.376 0 40 FIAB Cc1ccc(-n2ccnc2Sc2nccc(C(F)(F)F)n2)c(C)c1 29378687 OVNMQQLTAJZNQF-UHFFFAOYSA-N 350.369 4.449 0 40 FIAB Fc1ccc([C@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CCO2)cc1 29538920 WTOUCRGMHZMBED-QGZVFWFLSA-N 373.815 4.103 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)c2ncccc12 31096300 XYJJPPPCFQLLIT-NRFANRHFSA-N 371.440 4.446 0 40 FIAB Cc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)c2cc(C)sc2C)C(C)C)cc1 31951650 MVNQMZBXOZGSDG-KXBFYZLASA-N 372.534 4.305 0 40 FIAB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c1C 32788092 KNQGJIJESNGHLU-RIYZIHGNSA-N 371.234 4.317 0 40 FIAB Cc1cc(NC(=O)[C@H](SCc2c(C)noc2C)c2ccccc2)no1 32837647 KOZGDMPGGFZPLV-QGZVFWFLSA-N 357.435 4.201 0 40 FIAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccnc3)n2)cc1 33585402 OEBQAZOIIGROOD-UHFFFAOYSA-N 372.384 4.060 0 40 FIAB COCc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1-c1ccccc1 38829697 JMHWTXSIGLZWPG-UHFFFAOYSA-N 372.428 4.103 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Br)o1 40159583 PQMJFWQEBNDVLH-UHFFFAOYSA-N 362.145 4.333 0 40 FIAB COc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1OCCC(C)C 40159862 UEFQHNQDNQVSSL-KBPBESRZSA-N 369.889 4.023 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 44949158 BKCVMAGDUQRLSV-KKSFZXQISA-N 371.477 4.375 0 40 FIAB Clc1ccccc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 57440522 RZSFSRJZCALVFQ-UHFFFAOYSA-N 353.853 4.317 0 40 FIAB O=C(Nc1cc(F)c(F)c(F)c1)c1cc(C2CC2)nn1-c1ccccc1 61718345 YYAOMFDAELECJQ-UHFFFAOYSA-N 357.335 4.419 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C=O)C1CCCCC1 72215730 YQCLMDLTMHOEII-GOSISDBHSA-N 373.497 4.449 0 40 FIAB Cc1ccc(NC(=O)CCNC(=O)Cc2coc3c(C)c(C)ccc23)cc1 72427622 DYACBDDEYKOUGI-UHFFFAOYSA-N 364.445 4.046 0 40 FIAB C[C@@H](C(=O)N(C)Cc1ccccc1)[S@](=O)Cc1ccc(C(C)(C)C)cc1 78530195 NGFJKNJAIBOYJK-QLXKLKPCSA-N 371.546 4.280 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)O[C@@H](c1ccccc1)c1ccccn1 78911061 WISFMODOOFLVRN-CVTTXWKISA-N 367.836 4.123 0 40 FIAB CCCCO[C@H](C)C(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 79072235 QDLWTSUAODYELU-SJLPKXTDSA-N 361.507 4.016 0 40 FIAB Cc1nccc(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)n1 84290695 PSBJVXTWUDXHEE-SNVBAGLBSA-N 367.396 4.335 0 40 FIAB CO[C@H]1CCN(c2ccc(NC(=O)CCSc3ccccc3)cc2)C1 96122220 FWJUZFCAUHAWHR-SFHVURJKSA-N 356.491 4.033 0 40 FIAB COCCN1CCC2(CC1)C[C@H](NCc1ccc(C)s1)c1ccccc12 96241445 NCSMWIOYNUCWSB-NRFANRHFSA-N 370.562 4.271 0 40 FIAB CC1=C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccc(Cl)cc3)nc2N1 100849653 YZUSTXUQQPFZDO-INIZCTEOSA-N 365.824 4.103 0 40 FIAB O=c1c2sc3ncccc3c2[nH]c(=S)n1Cc1ccc(Cl)cc1 101275625 UKTFIDQLEXEKOV-UHFFFAOYSA-N 359.863 4.370 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(OC)ccc1OC 223007739 AUIYHWDXPIEUQK-QGZVFWFLSA-N 363.841 4.462 0 40 FIAB CCc1ccc(OCCNC(=O)CCCc2nc3cc(C)ccc3o2)cc1 224950205 JIRLOPGTANOBSS-UHFFFAOYSA-N 366.461 4.217 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1 225476177 HBIASAOUXWHGMH-OAHLLOKOSA-N 356.491 4.446 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)cc1 225687147 RQIYVQGBXQZVGW-JOCHJYFZSA-N 362.517 4.257 0 40 FIAB Cc1cc(NC(=O)c2cccnc2O[C@@H]2CCSC2)c2ccccc2n1 225727066 BEOPZKSACKQFID-CQSZACIVSA-N 365.458 4.075 0 40 FIAB N=C1NC(=O)/C(=C/c2ccccc2OC(=O)c2cccc3ccccc23)S1 408897799 ZPIZWBQTYGIBGT-PDGQHHTCSA-N 374.421 4.198 0 40 FIAB Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 585270559 MMKRAYXLKFCCJH-HSZRJFAPSA-N 364.489 4.272 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)Nc2ccccc2Cl)c2ccco2)n1 585370580 QPXOGCDECNBMKK-INIZCTEOSA-N 358.829 4.157 0 40 FIAB c1cncc(CN2CCOCCOc3ccccc3Cc3cccc(c3)C2)c1 2037901722 JBIOOOGAAFMYAD-UHFFFAOYSA-N 374.484 4.084 0 40 FIAB COc1cccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1 811891 RWEIUBWAVJALSF-UHFFFAOYSA-N 374.396 4.113 0 40 FIAB CC[C@@H](C)NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 826994 HPPLUHPOSXKIPS-SECBINFHSA-N 368.384 4.005 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)o1 858837 ZMGMJJBAKPXXLZ-UHFFFAOYSA-N 365.458 4.117 0 40 FIAB O=C(NCCc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 868245 YRCJAHCFYKSESW-UHFFFAOYSA-N 362.212 4.072 0 40 FIAB COc1ccc(NC(=O)c2ccc(CSc3ncccn3)cc2)cc1 1083527 OIQCFVZNRPLTKK-UHFFFAOYSA-N 351.431 4.030 0 40 FIAB Cc1cccc(C)c1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 1503249 XONFIAOGAJIJES-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB COCCOC(=O)c1c(C)oc2ccc(OCc3ccccc3C)cc12 1797722 VMPDDRAMCXOSFH-UHFFFAOYSA-N 354.402 4.432 0 40 FIAB biogenic CCCOc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCC 1843341 YXNGSFXASOQAIC-KAMYIIQDSA-N 357.431 4.280 0 40 FIAB O=C1c2cccc(Br)c2C(=O)N1c1ccc2ccccc2c1 3014126 LZFDQUOFBONVTO-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB O=S(=O)(c1ccccc1)c1nc(Nc2cccc(O)c2)sc1Cl 3359198 CBZSLKJHWJVQIW-UHFFFAOYSA-N 366.851 4.079 0 40 FIAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1cc(Cl)ccc1Cl 3396864 XHGRWCMXUFDOAB-MRVPVSSYSA-N 374.170 4.456 0 40 FIAB CCCNC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@@H]3[C@@H]2C 4024715 GXXFHMDMWMPTFR-JCZVPJEOSA-N 373.493 4.324 0 40 FIAB CCOP(=O)(Cc1ccccc1N1C(=O)c2ccccc2C1=O)OCC 4105257 WKMJYHVQGRUZGG-UHFFFAOYSA-N 373.345 4.253 0 40 FIAB CCOc1ccc(CC(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166983 CMACEQQYIVRWRB-UHFFFAOYSA-N 366.486 4.110 0 40 FIAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccccc3F)nnc12 4169409 IYLKNDJIUUJJOH-BLVKFPJESA-N 357.454 4.161 0 40 FIAB COc1cccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)c1 4570733 KNXDKLVLZRZWRM-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB biogenic CCOc1cccc(C(=O)NC(=S)Nc2cc([C@@H](C)CC)ccc2O)c1 4703844 OYRYXEDUHUCHFT-ZDUSSCGKSA-N 372.490 4.431 0 40 FIAB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)C(C)C)cc1 4815036 CJDAPESAGIQMLS-WOJBJXKFSA-N 360.461 4.310 0 40 FIAB O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 4854402 YWZPFZIOUJKENB-IBGZPJMESA-N 359.420 4.214 0 40 FIAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)C(C)(C)C 4931622 BXNBOLYBVHNWRN-UHFFFAOYSA-N 370.424 4.363 0 40 FIAB COc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(Cl)cc1)=N2 5447952 RAVRYYCBMUXQRG-UHFFFAOYSA-N 362.820 4.178 0 40 FIAB O=C(CCCOc1cccc(Br)c1)NCc1ccccc1F 5630748 XOYLFKYRMGFZAB-UHFFFAOYSA-N 366.230 4.064 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nnc(C)n1-c1ccccc1 6109302 QQANOJWLFRXUES-UHFFFAOYSA-N 367.474 4.469 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(Cl)c1 7671844 IICHCXWVYIWXGD-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(F)cc2)n1C 8388719 CDAZFYSJIAJZEU-CYBMUJFWSA-N 371.437 4.069 0 40 FIAB CCn1ncc2c(C(=O)Nc3nc(C)cs3)cc(-c3cccs3)nc21 8734249 FIJKOPLSUCXLOJ-UHFFFAOYSA-N 369.475 4.197 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Sc1nccn1Cc1ccccc1 9155394 ILPHODYDFWVGCV-HNNXBMFYSA-N 367.474 4.059 0 40 FIAB CCCCC(=O)Nc1nc(-c2ccc(CC[C@H](C)NC(C)=O)cc2)cs1 9335916 YTTZFOYJLNHOHO-AWEZNQCLSA-N 373.522 4.396 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccco2)cc1 9377626 QNBQKNDJVBEXMA-UHFFFAOYSA-N 359.429 4.431 0 40 FIAB COc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC 10041222 ZRWKLBFSYGQJNQ-AWEZNQCLSA-N 369.461 4.082 0 40 FIAB O=C(c1ccc(Cl)cc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546377 ZJAHYZOAMCVMQX-GFCCVEGCSA-N 357.816 4.375 0 40 FIAB FC(F)(F)c1nnc2n1N1C(=CS[C@@H]1c1ccc(Cl)cc1)S2 12407778 RDQJJVRFADBIMB-SECBINFHSA-N 362.789 4.239 0 40 FIAB COC(=O)c1ccccc1SCc1cc(Cl)cc2c1OCOC2 12417882 UUWHBSGEYJQMEC-UHFFFAOYSA-N 350.823 4.285 0 40 FIAB Cc1ccc(CNC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 12523030 SQNMQCZCLYYYMU-CYBMUJFWSA-N 352.356 4.010 0 40 FIAB CCOc1cc(/C=C/C(=O)Nc2ncc(C)s2)cc(Cl)c1OC 12809400 ABFGNOILVOYLMQ-AATRIKPKSA-N 352.843 4.164 0 40 FIAB CCC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccsc3)n2)c1 12874935 XCZUTOHVKOILRA-UHFFFAOYSA-N 371.487 4.401 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)c1ncnc2cc(Cl)ccc12 12876664 JWZMDWUGYPBCES-UHFFFAOYSA-N 363.852 4.164 0 40 FIAB Cc1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1F 12878895 BZMKZJPWGOHFEW-UHFFFAOYSA-N 372.421 4.279 0 40 FIAB Cc1occc1-c1nnc(SCc2cccc(Br)c2)n1C 14063641 LFSKOCJUWDFCAA-UHFFFAOYSA-N 364.268 4.438 0 40 FIAB Cc1ccc(CCC(=O)N2CCC(c3onc4c3C[C@@H](C)CC4)CC2)o1 19216386 MKDFCZNCYADZKS-AWEZNQCLSA-N 356.466 4.040 0 40 FIAB COc1cccc(OC)c1CN[C@H](Cc1cccs1)c1nccs1 19567136 SRJIUSRSQHHLEP-OAHLLOKOSA-N 360.504 4.295 0 40 FIAB COc1ccc(-c2[nH]c3ncccc3c2CN(C)CCc2ccncc2)cc1 19586289 VEBHHDFOLLRTDF-UHFFFAOYSA-N 372.472 4.308 0 40 FIAB Cc1nc(CSc2ccc(C(=O)NCCc3cccnc3)cc2)cs1 22992803 WJKBIKOAIIZMQM-UHFFFAOYSA-N 369.515 4.111 0 40 FIAB COc1cccc(CCC(=O)Nc2ccccc2N2CCCCC2)c1OC 23244524 BJVIMEMMJPOIIE-UHFFFAOYSA-N 368.477 4.265 0 40 FIAB COc1cccc2sc(NC(=O)COc3ccccc3C(C)C)nc12 24552656 BEEKORMDZPGDFX-UHFFFAOYSA-N 356.447 4.446 0 40 FIAB O=C(Nc1nc(C2CC2)cs1)C1(c2ccc(Br)cc2)CC1 25563683 MBPVJPUWEHCELS-UHFFFAOYSA-N 363.280 4.453 0 40 FIAB CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 27582494 DGKJCMJLSMBSKW-UHFFFAOYSA-N 360.464 4.174 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3ccccn3)cc(-c3ccccc3)nc21 27653808 YTYZRDWSXAIHLN-UHFFFAOYSA-N 357.417 4.327 0 40 FIAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CCc2ccccc2C1 28191019 IPDUNGJWLHPGTP-HNNXBMFYSA-N 363.486 4.004 0 40 FIAB COc1ccc(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 28239017 MGHBCBZWRBYPGM-UHFFFAOYSA-N 367.371 4.125 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)N1CCOCC1 28296012 JZCNAHHUGSSCPN-QGZVFWFLSA-N 365.260 4.005 0 40 FIAB COc1ccc(C)cc1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 32740811 QVWMLWFWKFLCMT-UHFFFAOYSA-N 364.445 4.094 0 40 FIAB CN(C)Cc1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1 32741399 NDFKNGFLFYHLQD-UHFFFAOYSA-N 358.485 4.269 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1Cl 32747548 ITGUHQCVHCASDW-UHFFFAOYSA-N 368.216 4.416 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)SCc2nc(-c3cccs3)no2)c1 32778888 YVUJBKDRJCTPHZ-LBPRGKRZSA-N 359.476 4.367 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 32794934 OVRDQXQSSHECMB-CABCVRRESA-N 351.450 4.157 0 40 FIAB CCNCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 33497425 FESFVHJCEOTYDL-KDDUWBTKSA-N 373.500 4.419 0 40 FIAB COc1ccc([C@@H](CNC(=O)C(C)(C)C)c2c[nH]c3ccccc23)cc1 36147410 ZBDOQDOQVGMRSB-GOSISDBHSA-N 350.462 4.471 0 40 FIAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccccn2)cc1 38145180 GCMIHAVVZNZNBT-RXFWQSSRSA-N 374.421 4.091 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)N[C@H](c3ccccc3)C3CC3)cc2c1 40050930 UFABFWMYXHCBKO-LJQANCHMSA-N 350.418 4.066 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2o1 40081629 IFCHDQYBADTRAT-UHFFFAOYSA-N 362.385 4.484 0 40 FIAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1ccccn1 44902991 ZNCHFRVMJGTBPK-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(F)c(Cl)c2)cc1OC 44947974 MLMLGMSPKNJGHT-UHFFFAOYSA-N 355.818 4.227 0 40 FIAB COc1ccc(C)cc1NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 50036425 NDVISMBRGBXLTF-INIZCTEOSA-N 373.522 4.099 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1c2ccccc2C[C@@H]1C 58414911 IEZZJXHCNSWCCC-AWEZNQCLSA-N 363.436 4.149 0 40 FIAB CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)Sc1ccc(O)cc1 64038132 ZWUXUJIRNQOIJW-LBPRGKRZSA-N 355.415 4.460 0 40 FIAB COc1ccc(NC2=NC(=O)S/C2=C\c2cccc3nccnc23)cc1 71284821 FGFIDTFUQOVSJH-WJDWOHSUSA-N 362.414 4.357 0 40 FIAB CC[C@H](C)Nc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213520 SGJAZVYCQREVFE-LPHOPBHVSA-N 373.522 4.126 0 40 FIAB Cc1ccc([C@@H](NC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C(C)(C)C)o1 72284979 MMFOVBNEQQBCDG-OAHLLOKOSA-N 363.845 4.249 0 40 FIAB C[C@@H]1CC(C)(C)C[C@](CO)(NCc2nc(-c3ccccc3Cl)no2)C1 72308137 ZEXBWCCNYCWSLU-BFUOFWGJSA-N 363.889 4.057 0 40 FIAB Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)c3ccco3)ccc12 72404702 WJRJKDJZADDAAI-UHFFFAOYSA-N 362.341 4.134 0 40 FIAB biogenic NC(=O)c1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 73638276 XWGANOIUNKGTAU-UHFFFAOYSA-N 351.587 4.010 0 40 FIAB C[C@H](NC(=O)N(C)[C@H](C)c1cccs1)c1ccc(N2CCOC2=O)cc1 84651556 LOYJEAFDROZMDU-UONOGXRCSA-N 373.478 4.168 0 40 FIAB COC(=O)c1ccc(Oc2nc3cc(C)nn3c3ccccc23)c(Cl)c1 95352995 XSFOKWYXCMQFBI-UHFFFAOYSA-N 367.792 4.423 0 40 FIAB Cc1cn2c(n1)CN(C(=O)Nc1ccc(Oc3cccc(F)c3)cc1)CC2 96007942 UIIXZSGWHFCRNJ-UHFFFAOYSA-N 366.396 4.171 0 40 FIAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H](O)c2ccccc21 96012546 WKMHZSKTUFEJSH-OAHLLOKOSA-N 372.273 4.016 0 40 FIAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 216451148 CGUUXFAEYZMQQZ-JTQLQIEISA-N 362.253 4.313 0 40 FIAB CCc1ccc(OCC(=O)NCc2ccccc2C)c(Br)c1 218860339 FVWYGIRSEWFHAF-UHFFFAOYSA-N 362.267 4.015 0 40 FIAB COC(=O)c1ccccc1C(=O)N1CCS[C@@H](c2ccccc2C)CC1 219281160 ILSKWACKYHQPSK-LJQANCHMSA-N 369.486 4.102 0 40 FIAB O=C(c1cccc(OC(F)(F)F)c1)N1CCS[C@@H](c2ccco2)CC1 219417247 NZMDYALAMXICFU-OAHLLOKOSA-N 371.380 4.499 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1cccc(OC)c1 219604340 VOLIHXSFXKDLMS-IBGZPJMESA-N 361.869 4.255 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cccc(C)c2C)c2ccccc12 222619782 YVKINSSSLWZVMU-HNNXBMFYSA-N 351.402 4.152 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222854929 GODPVQSGMSFMGU-HOTGVXAUSA-N 361.869 4.308 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223046335 ALWZSJCMQALZRG-HNNXBMFYSA-N 367.445 4.148 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(OC)cc2)c2ccccc2O1 223750140 OPGPUUMWBHEHFZ-LJQANCHMSA-N 369.461 4.273 0 40 FIAB S=C(NCc1ccccc1)Nc1ccc(N2CCc3ccccc3C2)nc1 223923474 KYBLIUJSHIFSOB-UHFFFAOYSA-N 374.513 4.131 0 40 FIAB C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)C1 223930418 VCLFLDHMHKIZOO-AWEZNQCLSA-N 374.941 4.458 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)[nH]1 224421732 IGLFVFPZKGJTST-RTBURBONSA-N 366.465 4.343 0 40 FIAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 224518146 UDBXGRHNGJVBOP-RTBURBONSA-N 365.458 4.169 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NCC(C)C 224737935 AJLAETLSWUHMPC-KRWDZBQOSA-N 352.906 4.020 0 40 FIAB COC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 225125839 VVNWYBZLKATARX-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB Cc1cc(NC(=S)NCc2ccc(Cl)cc2)ccc1N1CCCC1=O 225305748 WYATUWGELWPMJV-UHFFFAOYSA-N 373.909 4.262 0 40 FIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(OC)c(C)c1 225512777 CZHGCGGSMSQFFY-GOSISDBHSA-N 361.507 4.358 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225827891 BBXOIIRSFNBBEX-VQIMIIECSA-N 371.477 4.355 0 40 FIAB Cn1cc(CN2CCC[C@H]2c2ncn3cc(-c4cccs4)ccc23)cn1 306141762 WFRCSWMDUCTBJZ-KRWDZBQOSA-N 363.490 4.133 0 40 FIAB CC(C)CCn1ncc(NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)c1C(C)C 331829385 XPIUXKIAGGXDHW-INIZCTEOSA-N 372.517 4.187 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408714259 MLQOTYPHTLLARE-HNNXBMFYSA-N 367.474 4.184 0 40 FIAB COc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1 408801913 WYFKNQIUPDCHHO-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]21)c1ccccc1 409367757 FHRYKVXQUUYFIO-YHBROIRLSA-N 355.437 4.390 0 40 FIAB Clc1cc(Br)ccc1CNc1cccc(-c2nc[nH]n2)c1 516666069 DXFJWZPCUNUWAZ-UHFFFAOYSA-N 363.646 4.500 0 40 FIAB CC(=O)N1CCc2c(NC(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cccc21 545306112 AZQRXNCDDYDCDD-HZUJVAHNSA-N 372.509 4.012 0 40 FIAB Cn1c(N2CCC(c3noc4cc(F)ccc34)CC2)nc2ccccc21 561411921 XRAKWWDQUITCDJ-UHFFFAOYSA-N 350.397 4.238 0 40 FIAB CN(Cc1c(C(=O)O)oc2ccccc12)[C@H]1CCCN(c2ccccc2)C1 571097019 OBBOGECXYRWMEX-KRWDZBQOSA-N 364.445 4.232 0 40 FIAB O=S(=O)(Oc1ccc2c(-c3ccccc3)noc2c1)c1ccccc1 32105954 RKPLCLUAPIKECO-UHFFFAOYSA-N 351.383 4.263 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C)c1 849784 NAUARTPFUAAXPV-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 851360 LNZNJHCWMYJSON-IBGZPJMESA-N 364.445 4.069 0 40 FIAB CC[C@@H]1CO[C@](O)(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 1671898 SZEDYAYEVMUROK-FGTMMUONSA-N 352.261 4.278 0 40 FIAB COc1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)c1 2309059 GICMNQCFHFYERH-UWCTXQHWSA-N 354.277 4.490 0 40 FIAB O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cccs1 3331478 IXLPRPSCYIKADB-UHFFFAOYSA-N 357.500 4.249 0 40 FIAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccc(F)c1 4173938 YSHRFHAPCCPZBG-UHFFFAOYSA-N 357.454 4.397 0 40 FIAB Cc1ccc(OCC(=O)NC(=S)Nc2cccc(Cl)c2C)cc1C 6033344 LHDBRERTFOLVJQ-UHFFFAOYSA-N 362.882 4.157 0 40 FIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(=O)[nH]c2ccccc12 6552418 RTLILLKJCPZCOL-UHFFFAOYSA-N 365.389 4.043 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7882006 HAFVFJCAGGEOAQ-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCCOc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)c1 8613224 CUFPPKQGAUNEED-HXUWFJFHSA-N 358.526 4.346 0 40 FIAB O=C(Oc1ccccc1OC(=O)C1[C@H]2CCCC[C@H]12)C1[C@H]2CCCC[C@H]12 100101725 MKXWCSWNXSFVPC-VGWMRTNUSA-N 354.446 4.370 0 40 FIAB COc1cccc(OCc2ccc(C(=O)NCc3ccccc3F)cc2)c1 2760836 ZGTUEMAFFQOEOG-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB CSc1ncc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1-c1ccc(F)cc1 103468987 DGIZVVZHXWYGHA-XJIUQZFPSA-N 373.497 4.288 0 40 FIAB C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccncc1 22881377 HUOLFZBYESOIAQ-HNNXBMFYSA-N 350.393 4.291 0 40 FIAB O=C(O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 12395258 SNHAJCQBHJMEDU-UHFFFAOYSA-N 361.323 4.079 0 40 FIAB C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 24616818 KYHJWOBMIZXAJB-INIZCTEOSA-N 365.473 4.147 0 40 FIAB COc1cccc2c1OCC(C(=O)NCc1ccc(Cl)cc1Cl)=C2 1391468 VDUYIAPTWUOXCV-UHFFFAOYSA-N 364.228 4.094 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)c(C)n2CC(C)C)c1C 8478876 MXPLXXWOUPGRCQ-UHFFFAOYSA-N 361.511 4.278 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccsc1 25328921 UZZDSJMTQKCFSR-FQEVSTJZSA-N 367.518 4.141 0 40 FIAB c1ccc(-c2nc3sccn3c2CSc2nnc3ccccn23)cc1 12532123 KCEMXIINGDCKGP-UHFFFAOYSA-N 363.471 4.398 0 40 FIAB O=C1OCC[C@@H]1Sc1nc(Nc2ccccc2Cl)c2ccccc2n1 12569476 XLJWDUVBQLKOKY-HNNXBMFYSA-N 371.849 4.434 0 40 FIAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 12538598 LRPGNUGNFKGIBR-HNNXBMFYSA-N 358.445 4.148 0 40 FIAB Fc1ccc(-c2n[nH]cc2CNCc2ccc(CN3CCCC3)cc2)cc1 12540201 NNHULDVXAITHAB-UHFFFAOYSA-N 364.468 4.101 0 40 FIAB CCN(C(=O)COC(=O)Cc1ccsc1)c1cccc2ccccc12 3226773 HJCCPYXLCYOSMI-UHFFFAOYSA-N 353.443 4.040 0 40 FIAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 1918978 QZTRTWOHQNOWKP-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB C=CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1 50547759 NTRCOGVUDFKAHS-ATVHPVEESA-N 352.415 4.346 0 40 FIAB CC[C@@H]1c2ccc(C)n2CCN1Cc1ccccc1OCCCN(C)C 57811478 PBCPAXPUWWVFPI-HXUWFJFHSA-N 355.526 4.094 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(SC(F)F)cc1)OC2=O 100260886 IHAZLNLKKPLWCB-IAGOWNOFSA-N 355.406 4.062 0 40 FIAB Cc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)ccc1Br 12606985 IEEHBDDGUOKKGX-SNVBAGLBSA-N 368.662 4.245 0 40 FIAB Cc1ccccc1NC1CCN(C(=O)Nc2nnc(C(C)C)s2)CC1 58402879 KZJGZYJAEJSTJB-UHFFFAOYSA-N 359.499 4.078 0 40 FIAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2ccccc2Cl)c1 28183511 CWCPFFMBISECBG-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB O=C(c1cc(Br)ccc1Cl)N(Cc1cccnc1)C1CC1 28515599 LDYQYMJHZSEELG-UHFFFAOYSA-N 365.658 4.302 0 40 FIAB C[C@H](NC(=O)CSc1nnc(C2CC2)o1)c1ccc2ccccc2c1 12792180 HGAQOABMHLQQDU-LBPRGKRZSA-N 353.447 4.070 0 40 FIAB CCCOc1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 11228149 PDUBNCOKEGMCSJ-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB CN(C)[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 12758050 YKZDVPVLNJBZIH-HSZRJFAPSA-N 372.512 4.108 0 40 FIAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(F)cc1 12976999 YKDUPODAYPREHF-OAQYLSRUSA-N 366.461 4.473 0 40 FIAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2ccccc2)CC1 4151102 JBXGDRAFIQRBCD-UHFFFAOYSA-N 372.896 4.156 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 6049479 DFVOTBNFIWTOAG-VQIMIIECSA-N 367.445 4.331 0 40 FIAB CCc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 6057501 MSWGJMPSNVEFBL-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB CCc1ccc(C(=O)CSc2nc(COc3ccc(C)cc3)n[nH]2)cc1 6006595 IDTIWPQWKBUBRW-UHFFFAOYSA-N 367.474 4.230 0 40 FIAB O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1 6147213 SIJCPHYOQRJORU-UHFFFAOYSA-N 373.459 4.193 0 40 FIAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1ccc2c(c1)OCO2 6335925 RWFAZPRBYHVNOG-UHFFFAOYSA-N 361.353 4.332 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)COc3ccccc3)c2cc1C(C)C 6459945 HCJMXWKDXQMACL-UHFFFAOYSA-N 366.413 4.347 0 40 FIAB Cn1c(SCc2cc(-c3ccc(Cl)cc3)no2)nnc1C(F)(F)F 14184479 UAZNSFXKNULSNL-UHFFFAOYSA-N 374.775 4.435 0 40 FIAB Cc1cc2nnc(S[C@H](C)C(=O)NC3CCCCC3)n2c2ccccc12 5885784 OEXCREVWYINNCL-CQSZACIVSA-N 368.506 4.120 0 40 FIAB COc1ccc(-c2nc(C)cc(SCC(=O)NC3CCCCC3)n2)cc1 67257493 AJDAHVRHQNUGKM-UHFFFAOYSA-N 371.506 4.002 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)N1CCOCC1 28296010 JZCNAHHUGSSCPN-KRWDZBQOSA-N 365.260 4.005 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)oc2ccc(F)cc12 8915694 IRMQCGQTGLALMW-MRXNPFEDSA-N 356.397 4.040 0 40 FIAB COc1cc(CCC(=O)N[C@H](C)c2cc3ccccc3o2)cc(OC)c1 7116470 VSWUSSKECQHBRN-CQSZACIVSA-N 353.418 4.260 0 40 FIAB COc1ccc(C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1 7643377 BUBUGTYRTXRRFH-LBPRGKRZSA-N 360.866 4.487 0 40 FIAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 7795851 ODMYMIHCQXVHET-IBGZPJMESA-N 367.376 4.072 0 40 FIAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1nc(Cl)ccc1Cl 7736697 SONKPAPQKCBBPH-UHFFFAOYSA-N 368.260 4.331 0 40 FIAB O=C(COc1ccccc1F)N[C@H](c1ccc(F)cc1)c1cccs1 7889216 FJWGPEXUQMMUPZ-LJQANCHMSA-N 359.397 4.311 0 40 FIAB Cc1ccc(-c2csc3ncnc(Sc4nnc(C)n4C)c23)cc1 7983184 RHZBUJOOKAQPLB-UHFFFAOYSA-N 353.476 4.255 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)N1[C@@H](C)CCC[C@H]1C 26771340 FEWSZHBAVHJJEB-AOOOYVTPSA-N 351.800 4.043 0 40 FIAB O=C1N=C(Nc2cccc(F)c2)/C(=C/c2ccc3nccnc3c2)S1 72401133 IDRYOYUXKKQLHV-SXGWCWSVSA-N 350.378 4.487 0 40 FIAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc2ccccc2c(Cl)n1 84594916 AJOWXQUNDFDZAO-UHFFFAOYSA-N 367.792 4.097 0 40 FIAB Cc1cc(Br)ccc1N(C)C(=O)c1cnn(-c2ccccc2)c1 97713084 RBDRKXGMVSFSSR-UHFFFAOYSA-N 370.250 4.220 0 40 FIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1cccc(O)c1)SCC(O)=N2 95474680 MIHBFBDORJIHFY-KRWDZBQOSA-N 373.478 4.202 0 40 FIAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1 408979263 LWJISPBAUBNNCU-QGZVFWFLSA-N 360.841 4.464 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 408629089 ZCYKZQWBTWZDJO-UHFFFAOYSA-N 367.946 4.435 0 40 FIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 32609731 CJOUKQJSNGRKDC-RTBURBONSA-N 363.436 4.430 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1 72343203 VYMNHOWTMIKDOZ-WTNAPCKOSA-N 354.538 4.197 0 40 FIAB COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1 33809612 QOOUQTRNWXSUSN-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)O)c2ccccc12 214861796 GAXXGRGZXNJWMI-WJDWOHSUSA-N 370.430 4.402 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)COc1ccc(C)cc1 219321017 APMLUKYHXTUPNT-CRAIPNDOSA-N 361.869 4.390 0 40 FIAB COc1ccc(C2(CNC(=O)c3cc(-c4ccco4)on3)CCCC2)cc1 49521470 UWKDORZLFVGOQN-UHFFFAOYSA-N 366.417 4.185 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2C)cc1 225762142 BAKOLSIIGCGDHO-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB S=C(NCCCSC1CCCCC1)Nc1ccc2c(c1)OCCO2 225590721 JBNUUDVGOHLUFV-UHFFFAOYSA-N 366.552 4.200 0 40 FIAB O=C(CSCc1c(F)cccc1Cl)NCCOc1ccc(F)cc1 223457055 XKAVANKIAGKJAN-UHFFFAOYSA-N 371.836 4.047 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224788018 QUGMSHPBNBRTKF-HNNXBMFYSA-N 364.917 4.306 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)ccc1F 224905155 KNDUKNYIUNQLIS-RTBURBONSA-N 366.465 4.045 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccccc1C(C)(C)C 223732456 ISOUHRJPISGKRR-IBGZPJMESA-N 355.478 4.337 0 40 FIAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cccs1 226287648 XHJURYRWAIKLBK-UHFFFAOYSA-N 364.426 4.169 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCc1ccnc(-c2ccco2)c1 225658099 PGFUMWCAWJFGLM-UHFFFAOYSA-N 357.797 4.325 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 223692495 NAWXNNYATQYOEC-HOTGVXAUSA-N 371.477 4.472 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NCCCN2CCc3ccccc32)c1 222891766 DRBXMOHCZWZERW-UHFFFAOYSA-N 366.505 4.066 0 40 FIAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 226170332 ZANHFFQEVFCQHR-TXTKFYIRSA-N 367.533 4.174 0 40 FIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)cc1 225735561 IAJOSUAXYNIUMF-FQEVSTJZSA-N 351.487 4.272 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 222868350 ZJRVZZOWPCXFAQ-RBUKOAKNSA-N 354.523 4.381 0 40 FIAB COc1ccc2c(c1)CN(C(=O)Nc1ccncn1)[C@@H](C1CCCCC1)C2 333212124 PWYXAPIQUODZQZ-LJQANCHMSA-N 366.465 4.024 0 40 FIAB O=C(NC1CCCC1)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 96154766 ABUVBMLEOUNPAI-UHFFFAOYSA-N 370.456 4.464 0 40 FIAB O=C(Nc1ccccc1)N1CC[C@]2(CCCN2Cc2cccc(F)c2)C1 96071092 MZGIYTXTUGIWDE-OAQYLSRUSA-N 353.441 4.098 0 40 FIAB Cc1nc(CO[C@@H]2CCN(c3ccnc4ccc(Cl)cc34)C2)cs1 585083221 CKOOJHSRWOJUJX-OAHLLOKOSA-N 359.882 4.449 0 40 FIAB Cc1nc(-c2cccs2)sc1CNC(=O)Cc1noc2ccccc12 90592669 XAPMRVKQFLADKU-UHFFFAOYSA-N 369.471 4.180 0 40 FIAB CC[C@@H](C)Oc1cc(Oc2cccc(Oc3cnccn3)c2)nc(C)n1 1651025139 USVJHHHAELEIOS-CYBMUJFWSA-N 352.394 4.337 0 40 FIAB Cc1nccc(CCC(=O)N[C@H]2CCC(C)(C)C[C@@H]2c2ccccc2)n1 1152810542 CAIWYBVTRSAANZ-UXHICEINSA-N 351.494 4.196 0 40 FIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@H]2C[C@H]2C1 663418214 BTPGNVDGKBIUTG-CMKODMSKSA-N 359.473 4.351 0 40 FIAB Cc1ccc(-c2nn(CCO[C@H]3CC3(F)F)c(=O)c3ccccc23)cc1C 664004929 JTDOADMYWNCEAV-SFHVURJKSA-N 370.399 4.105 0 40 FIAB Cc1nc(Cl)cc(N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1 58417604 JJQFWBXMBBQRAK-UHFFFAOYSA-N 359.836 4.037 0 40 FIAB Cc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)c2ccc(F)cc2n1 67655275 QMXFRBKNWXWMFG-UHFFFAOYSA-N 363.314 4.286 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccnc2N2CCSCC2)o1 70007419 OBROBMPCVIWCND-WQELODFKSA-N 369.490 4.003 0 40 FIAB COc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)NC2=S)cc1 1404811 YEVLYGVBMWQFIP-PDGQHHTCSA-N 352.459 4.081 0 40 FIAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1Cl 1511177 PDRVFZSWIRKIIX-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB CC(C)Oc1ccc(CN2CCC(c3n[nH]c4ncccc34)CC2)cc1 12220283 LDXPEZRWQIGDHJ-UHFFFAOYSA-N 350.466 4.125 0 40 FIAB COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1cccs1 14258409 OXRDTLXTTDWHGZ-UHFFFAOYSA-N 352.415 4.261 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@]5(C(C)=O)O[C@@H]5[C@@]4(C)CC[C@@H]32)C1 222022590 GWZAVXCYXHGFFE-LXGBQXIBSA-N 372.505 4.217 0 40 FIAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)cc1 14085211 CBEXMXUTYCALGQ-UHFFFAOYSA-N 365.458 4.007 0 40 FIAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1cccc(C(F)(F)F)c1 5154031 HFRKBJLKNKRHNF-UHFFFAOYSA-N 374.362 4.183 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269315 TXHZNVJNIWXZJT-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)[nH]2)cc1 8770055 IROXFPBJXXFGCL-UHFFFAOYSA-N 353.447 4.125 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(F)c3)ccc21 9164739 JVBYOOOYJHKQAN-UHFFFAOYSA-N 354.425 4.403 0 40 FIAB O=C(CCC1CCCC1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695366 HSRFDEMJBFFAHE-UHFFFAOYSA-N 352.434 4.391 0 40 FIAB Cc1cccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 629291 OTLXRZNFCVCCGW-UHFFFAOYSA-N 369.471 4.172 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCC2 5474311 GQBDTWHRIDWHHE-UHFFFAOYSA-N 355.868 4.381 0 40 FIAB Cc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1C 12232734 NTOFDSSERIRRGS-UHFFFAOYSA-N 364.470 4.312 0 40 FIAB Clc1ccc(CN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 20065854 JXIAHRIVPHUJDB-UHFFFAOYSA-N 369.940 4.127 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)c2sc(-c3ccc(C)o3)nc2C)on1 40154750 IDSSXKJEYYOMLC-CYBMUJFWSA-N 357.435 4.294 0 40 FIAB COCc1cccc(C(=O)Nc2ccc(CN3CCC[C@@H](C)C3)cc2)c1 40107908 UTDLPQFLIHXDCZ-QGZVFWFLSA-N 352.478 4.317 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 40267565 ULUFONNTXUQXCW-CQSZACIVSA-N 358.323 4.410 0 40 FIAB Cc1ccc(F)cc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 8268901 CXXUNJURRFNCNF-UHFFFAOYSA-N 372.484 4.185 0 40 FIAB CC1=C(C(=O)OC(C)(C)C)C(C(C)C)C(C(=O)OC(C)(C)C)=C(C)N1 19594026 CKVKVRBGSNAJEY-UHFFFAOYSA-N 351.487 4.093 0 40 FIAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2651584 ODRZWPJLITZVLK-UHFFFAOYSA-N 364.367 4.103 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CCCCC1 2632247 GNCLMFIFLPAXTM-IBGZPJMESA-N 358.526 4.187 0 40 FIAB CCOc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 1943695 CNEOJKSVFVNQBG-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3263101 XKEMOPQFRIAYLO-UHFFFAOYSA-N 359.425 4.309 0 40 FIAB COC(=O)c1ccc(CN2CCc3sccc3[C@H]2c2ccccc2)o1 32797363 XPDFLXOFLUAURY-LJQANCHMSA-N 353.443 4.275 0 40 FIAB CCc1ccc([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 6128262 MWWMJNKZVRPPFK-HNNXBMFYSA-N 358.441 4.240 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11915697 HOJDHWIJJCKSQF-UHFFFAOYSA-N 355.781 4.206 0 40 FIAB Cc1ccc(F)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 6388888 JUVUURDOZROZHA-UHFFFAOYSA-N 374.843 4.278 0 40 FIAB Cc1ccc(C)c(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 7068853 QNIFSPJOCUDUID-UHFFFAOYSA-N 356.429 4.349 0 40 FIAB CCSc1nnc(NC(=O)CSCc2ccccc2Cl)s1 7920645 GTFDDZJMUJBVFJ-UHFFFAOYSA-N 359.929 4.175 0 40 FIAB O=C(c1ccc2nsnc2c1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166540 UIXUHVJDAMZMNA-IAGOWNOFSA-N 367.449 4.381 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 8335529 WCPCNZRNDUFYPZ-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB CC1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2Cl)CC1 12137007 GYTDGEZZZHXCRO-UHFFFAOYSA-N 356.853 4.464 0 40 FIAB C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CCCCCCC1 58406604 KSZQVOMNPGWWFE-LBPRGKRZSA-N 371.308 4.341 0 40 FIAB O=C1CCCN1C1CCN(Cc2ccccc2Oc2ccccc2)CC1 104729539 SNAPVRGBTRYOQQ-UHFFFAOYSA-N 350.462 4.066 0 40 FIAB Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(C3CCCCC3)cc1)C(=O)N2 1076392 FWISBHQCIPNREE-HSZRJFAPSA-N 363.457 4.455 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)c1 103718607 MQRPCPIHSCCXEY-INIZCTEOSA-N 350.462 4.284 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2Cl)cc1 55528617 WLXMCFMCJWWJML-UHFFFAOYSA-N 358.854 4.208 0 40 FIAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1 1473482 YCMLBNANTPCOQY-UHFFFAOYSA-N 372.453 4.304 0 40 FIAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3219408 BMOYBOUJSZQZEG-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57413736 XELGQPDOTGRUJB-UHFFFAOYSA-N 360.244 4.356 0 40 FIAB COC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1cccs1 58357067 CMPQRMXRAUHJBO-LLVKDONJSA-N 358.246 4.089 0 40 FIAB c1csc([C@H](CNc2ncnc3sc4c(c23)CCC4)N2CCCC2)c1 8342614 COGQAKNGULDSEP-AWEZNQCLSA-N 370.547 4.491 0 40 FIAB CCN(C(=O)[C@H](C)OC(=O)c1cc(C)nc2ccccc12)c1ccccc1 3556831 HHRMJWINOXGPRX-INIZCTEOSA-N 362.429 4.142 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1C 12976786 VHFLSBZEFVWDAS-CFSVFNIQSA-N 374.569 4.040 0 40 FIAB CCOc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13131433 ARYOBPOTXHSXCA-HZPDHXFCSA-N 369.856 4.059 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1OC(F)F 49604189 NSVQXIFGOHMMEK-UHFFFAOYSA-N 365.361 4.001 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccncc1 6333629 QNKXZWVUGUDTRK-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB COc1ccc(NCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 8715522 CETPUGKMLLVCEI-UHFFFAOYSA-N 363.442 4.272 0 40 FIAB O=C(CSc1ccc2ccccc2n1)Nc1ccnn1C1CCCC1 5626710 VJQYZHKXUFVNCB-UHFFFAOYSA-N 352.463 4.277 0 40 FIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(F)cc1 6752969 XSLHHIHCUYQSHA-HXUWFJFHSA-N 365.408 4.267 0 40 FIAB C[C@H]1C[C@H](C)CN(c2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)C1 6941333 SHGTVYUZUUOQPD-STQMWFEESA-N 370.888 4.243 0 40 FIAB CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Cl)c1 8845797 NBJRCJJHQNZQES-SFHVURJKSA-N 353.809 4.001 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1ccccc1F 7406754 GJPKGKVEWFRAHW-UHFFFAOYSA-N 366.845 4.098 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(CC(C)C)C(=O)c3cccs3)cc2c1 9123770 PHLAMRDKXAIQOW-UHFFFAOYSA-N 354.475 4.196 0 40 FIAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1cccs1 8134463 VOLGLMXUUWIHON-LBPRGKRZSA-N 368.487 4.099 0 40 FIAB O=S(=O)(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccs1 16737521 PFEABPOUERUUCL-UHFFFAOYSA-N 363.435 4.158 0 40 FIAB C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)c1nc(C(C)(C)C)no1 84667605 UAHYBZGPNSUILE-CQSZACIVSA-N 356.470 4.053 0 40 FIAB CCOc1cc(/C=C/C(=O)N2CCc3ccccc3C2)ccc1OC(F)F 23694572 UBLJRKQWGWXVIP-CSKARUKUSA-N 373.399 4.285 0 40 FIAB O=C(NCCc1nc2c(s1)CCCC2)c1cc(Cl)sc1Cl 89762041 GDFZUWOYXCPWAM-UHFFFAOYSA-N 361.319 4.363 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccccc1 27384108 AEPHFUULFLKHJB-OAHLLOKOSA-N 356.491 4.336 0 40 FIAB CC[C@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)c1ccc(OC)cc1 1559311574 ZQSZSWASAOLBIH-KRWDZBQOSA-N 356.447 4.334 0 40 FIAB O=C(CCSc1ccccc1)NC[C@H](O)c1cccc2ccccc12 70636016 DBNORRGIJLFMFK-FQEVSTJZSA-N 351.471 4.172 0 40 FIAB COc1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219453979 CDYYYBQKCNURCG-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB COc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1Cl 225915108 YWMUMQWXFYZZEP-UHFFFAOYSA-N 361.825 4.039 0 40 FIAB Cc1ccc(CC(=O)NCCSCc2c(F)cccc2Cl)cc1 44905030 RZYGREGUDZBIAZ-UHFFFAOYSA-N 351.874 4.380 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)n1cc(C(=O)OC)c2ccccc21 222627039 SKRXOZVJGROPSJ-QGZVFWFLSA-N 355.365 4.065 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1C 223903457 WKVQNQDKZBBTTM-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1cnc(Oc2ccccc2F)nc1 224283890 GLHDKYJLHORZOI-UHFFFAOYSA-N 357.772 4.243 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(C)cc1 222820192 AOUXYHOQAGUTNH-LJQANCHMSA-N 373.518 4.312 0 40 FIAB Cc1ncsc1CN1CCOC[C@H]1c1csc(-c2ccccc2)n1 96219695 SQOWGDGPTBCBEN-INIZCTEOSA-N 357.504 4.149 0 40 FIAB Cc1cc(N2CCC(CNC(=O)Nc3ccccc3Cl)CC2)ccn1 253403761 QKDAQRQNXGSGDE-UHFFFAOYSA-N 358.873 4.082 0 40 FIAB CC(=O)O[C@H]1[C@@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1OC(C)=O 72320219 FUSHLLXGTXLRMJ-ZDNVTZCJSA-N 352.430 4.211 0 40 FIAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 5117160 AMXYFRUJCSJBEI-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CC(=O)[C@@H]1SC2=NC3=C(CCCC3)[C@@H](c3ccccc3Cl)N2C1=O 5379112 POOBBQUXKPPMQE-CVEARBPZSA-N 360.866 4.112 0 40 FIAB CN(Cc1ccccc1OC[C@@H]1CCCO1)Cc1cccc2ncccc12 12191747 DNSLHXUKMRBATF-FQEVSTJZSA-N 362.473 4.425 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)Cc1nc2ccccc2s1 12878080 NCHASTVJOSIWIT-GFCCVEGCSA-N 359.882 4.409 0 40 FIAB CCSc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1O)N2 17072733 YKABHOULXLPVOA-INIZCTEOSA-N 350.447 4.152 0 40 FIAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)cc1 19209660 AFRNGYWMVHQROH-OAQYLSRUSA-N 374.488 4.087 0 40 FIAB CN(C)CCN(Cc1cccs1)Cc1ccc(Br)s1 19582677 MKRLEUQMMHTLMC-UHFFFAOYSA-N 359.358 4.136 0 40 FIAB C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC)C1=O 6325756 DZEYTJUTBRWYRK-UKTHLTGXSA-N 368.252 4.070 0 40 FIAB CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226340650 XSCHPVMGVCNLDV-UHFFFAOYSA-N 370.630 4.253 0 40 FIAB Cc1cnc(Nc2cccc(C3CCN(C(=O)C4CCC4)CC3)n2)s1 643550589 KUXICVXILIPPNQ-UHFFFAOYSA-N 356.495 4.096 0 40 FIAB CN(CCOc1ccccc1)c1ncnc2sc3c(c12)CCCCC3 3368720 QSDSFXMOQRQHQO-UHFFFAOYSA-N 353.491 4.475 0 40 FIAB CCOc1cc(C(=O)NCc2ccccc2OC)ccc1OCC(C)C 6840086 SUWCTVQXDHSRRL-UHFFFAOYSA-N 357.450 4.059 0 40 FIAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 14242372 FMAMTAUBQHVUML-SFHVURJKSA-N 374.469 4.459 0 40 FIAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)c(F)cc4F)OCC[C@@]31C2 1848356963 WANBIBHJCRGYDD-BASPKBIGSA-N 367.411 4.122 0 40 FIAB CN(C)C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 21835677 PVSYMFXIUKBAGQ-INIZCTEOSA-N 352.265 4.418 0 40 FIAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 13167544 CDGCXCKFJIRXDM-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB O=C(NCCOCc1ccc(Cl)cc1)NC12CC3CC(CC(C3)C1)C2 4717714 ICJJSSJGQCASTL-UHFFFAOYSA-N 362.901 4.125 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 5269300 NSRDRHSRCROXEC-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)NC3CCCCC3)s2)c1 6044722 VOOOMXLWRJTCLZ-UHFFFAOYSA-N 362.524 4.131 0 40 FIAB O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cccc2ccccc12 6178796 MFEASZNYBHAGTP-UHFFFAOYSA-N 360.442 4.356 0 40 FIAB O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(C(F)(F)F)c1 16968830 GUUFKXNVQLOZLR-UHFFFAOYSA-N 363.379 4.184 0 40 FIAB COc1ccc([C@@H]2CCCCN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)cc1 206883020 BXBHVQJYIJZIAM-MRXNPFEDSA-N 365.433 4.088 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(Cl)cc1)C3 20403854 WXARDNIPUMSEBT-UHFFFAOYSA-N 355.821 4.149 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(CCc1ccccc1)C3 20502956 BTQYBBBTFZFBHV-UHFFFAOYSA-N 361.441 4.066 0 40 FIAB CSc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1 819137 SXYUWOZEIPRDPA-UHFFFAOYSA-N 353.447 4.150 0 40 FIAB CC(=O)c1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 868698 HAVZNNMYKJKCPM-UHFFFAOYSA-N 353.809 4.289 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 1426008 NHERHIPCEZGDOI-UHFFFAOYSA-N 354.884 4.091 0 40 FIAB O=C1[C@H]2Cc3ccccc3CN2C(=S)N1c1cc(Cl)ccc1Cl 2788774 RKSFBGBZFCTSGC-OAHLLOKOSA-N 363.269 4.052 0 40 FIAB Cc1ccc(-n2c(S[C@H]3CCCC3=O)nnc2-c2ccncc2)cc1C 3569172 VDZWQQUYOSBJLO-SFHVURJKSA-N 364.474 4.160 0 40 FIAB Cc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)c1 4272764 NZVXOTGCLUSXAU-UHFFFAOYSA-N 358.449 4.070 0 40 FIAB COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 4836167 ZVFWKDRONXYHEX-HNNXBMFYSA-N 363.413 4.057 0 40 FIAB COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl 4901615 MLQWIWGLWAXAFA-UHFFFAOYSA-N 358.825 4.030 0 40 FIAB CSC1=NC(C)=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(F)cc2)N1 5520788 GHPHHLHRCPCWJQ-SFHVURJKSA-N 369.465 4.410 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1C 6057471 SXOMWURGIPJQAG-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1C(C)C 6100125 WVXPFTWORNTAIS-UHFFFAOYSA-N 356.451 4.106 0 40 FIAB CN(C)c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1 6135813 AKKNFIQSKYJRKW-UHFFFAOYSA-N 358.420 4.326 0 40 FIAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 6152295 RVSOLDWLDBVGAQ-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB O=C(NC1CC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 6197793 HLCMIJBIXVOKRG-UHFFFAOYSA-N 371.396 4.004 0 40 FIAB biogenic COCc1cc(C)nc2sc(C(=O)Nc3ccc(C)cc3C)c(N)c12 6613333 CQFXRQWPAPNEHN-UHFFFAOYSA-N 355.463 4.202 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)CCc1ccc(-c2ccccc2)o1 6992968 XLAZEWKNNWTVQE-UHFFFAOYSA-N 362.473 4.257 0 40 FIAB Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21 7343469 ASQIKCLFFWVRFR-UHFFFAOYSA-N 365.380 4.323 0 40 FIAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 7546224 UWIONZDQQKLGDV-WRELSGSFSA-N 352.522 4.201 0 40 FIAB CCn1cnnc1SCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 7868514 LKJTYSNCVDMYBG-SFHVURJKSA-N 371.437 4.337 0 40 FIAB O=C(NC1=NCCS1)c1sc(-c2ccccc2)nc1-c1ccccc1 7947419 VIFZLMOYBPGNDX-UHFFFAOYSA-N 365.483 4.310 0 40 FIAB O=C(CCc1ccco1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8073233 GGVPMNSVUPKVHW-UHFFFAOYSA-N 369.442 4.278 0 40 FIAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(-n2cccc2)c1 8131928 QHHNWUYAVHZQPM-UHFFFAOYSA-N 359.473 4.003 0 40 FIAB O=C(COc1ccc(Cl)cc1C1CCCCC1)NC[C@@H]1CCCO1 8512621 PGCPQXARHXIRFM-INIZCTEOSA-N 351.874 4.062 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NC3CCCCC3)s2)cc1 8771355 VEACDPUBPIAXPC-UHFFFAOYSA-N 372.494 4.466 0 40 FIAB COc1cc2c(cc1NC(=O)c1n[nH]c3c1CCCC3)oc1ccccc12 8996965 UUSLSJKSVDUERI-UHFFFAOYSA-N 361.401 4.449 0 40 FIAB CCOC(=O)c1oc2ccc(NC(=O)c3ccccc3OC)cc2c1C 9659854 UVUBCAZRBQXNQZ-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic CCOc1ccccc1CCCNC(=O)CSCc1ccc(C)cc1 10110867 UUMVCQJRICIHDY-UHFFFAOYSA-N 357.519 4.376 0 40 FIAB Cc1cccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 10383006 LYVQYZJWQBIBDB-UHFFFAOYSA-N 352.356 4.396 0 40 FIAB COCCCn1c(SCc2ccccc2C)nc2ccccc2c1=O 11622472 OYZMSKNPZSXKHW-UHFFFAOYSA-N 354.475 4.034 0 40 FIAB Cc1ccc2nc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c(=O)n2c1 12180780 HJBNFXWQSNHAIY-UHFFFAOYSA-N 369.424 4.231 0 40 FIAB C[C@H](C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1 12220884 ALLHXSNQHKKSSI-UWJYYQICSA-N 359.473 4.229 0 40 FIAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)on1 12422337 XBTPIVMZAQEAOB-AWEZNQCLSA-N 371.462 4.035 0 40 FIAB O=C(c1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(F)cc2F)CC1 12471557 FNJBMBQLXAXUAA-UHFFFAOYSA-N 362.351 4.231 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 12614391 KLUPWQCPCQSMIK-UHFFFAOYSA-N 352.459 4.447 0 40 FIAB CCOc1cc2c(cc1NC(=O)Cc1c(F)cccc1Cl)O[C@H](C)C2 12787842 KENNEKTWWKWGHT-LLVKDONJSA-N 363.816 4.382 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2csc(-c3cccs3)n2)c1 12818247 WLOBNEHJWQTPRU-NSHDSACASA-N 374.487 4.380 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1c(F)cccc1Cl)C1CC1 12935964 OGODBWYLJATFMW-UHFFFAOYSA-N 371.795 4.390 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc2nccnc2c1 14255261 JOKFEPDHWRXKAC-UHFFFAOYSA-N 364.405 4.069 0 40 FIAB CCC(=O)NC(=S)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 14257648 KABMQRKCMZAAHG-UHFFFAOYSA-N 353.447 4.335 0 40 FIAB Cc1cc(C)cc(O[C@H](C)c2nn3c(=O)c4ccccc4nc3s2)c1 17072919 BMMMYQFLTGLASW-CYBMUJFWSA-N 351.431 4.061 0 40 FIAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@H](C)O[C@H](C)C1 18087877 CFCWXPWMBGDYBU-AOOOYVTPSA-N 369.248 4.206 0 40 FIAB Cc1csc(=O)n1CC(=O)N[C@H](c1ccc(C(C)(C)C)cc1)C(C)C 18092603 OTTRNXYHKIYGGO-SFHVURJKSA-N 360.523 4.029 0 40 FIAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCC3)CC[C@@H]21 19406568 WMBDRGXHFNIXPF-ACRUOGEOSA-N 372.578 4.497 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20488672 KJJMTGALMSTKFW-OAHLLOKOSA-N 354.475 4.074 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC(C)C 20492171 HEAZZBCRILBDLO-LJQANCHMSA-N 368.477 4.238 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577128 CWZSKGRETZBPRL-UHFFFAOYSA-N 371.481 4.251 0 40 FIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)NCCc1ccccn1 21774309 ODOAZXCQXFJJOO-UHFFFAOYSA-N 366.848 4.140 0 40 FIAB CCCCOc1ccccc1C(=O)Nc1noc(-c2ccc(OC)cc2)n1 21800744 NIOOHIMSLPOCPR-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB Cc1ccc2nc(SCC(=O)N(C)[C@@H]3CCCc4ccccc43)[nH]c2c1 23261158 YCVFXHOFNADUTI-LJQANCHMSA-N 365.502 4.499 0 40 FIAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1oc2ccccc2c1C 23950762 IUJFJEURAFNJNS-UHFFFAOYSA-N 373.792 4.025 0 40 FIAB c1ccc(-c2nc(CSc3nc(Cc4cccs4)n[nH]3)cs2)nc1 25045749 YVNQNCZDYADFIT-UHFFFAOYSA-N 371.516 4.268 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2ccccc2C)c1 27920215 OCLVLPKEYIYKAN-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB CCCCn1c(SCc2noc(C(C)(C)C)n2)nc2ccccc2c1=O 28009344 XTSWSESVGGXKCV-UHFFFAOYSA-N 372.494 4.169 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)n(-c2ccc(F)cc2)n1 28244841 VYCIJVUSLVBIJT-MRXNPFEDSA-N 367.424 4.343 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 28574002 YMXTYFVRFGTBQM-UHFFFAOYSA-N 362.216 4.440 0 40 FIAB CCc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1 32721284 IPEAZZLYNKBUBT-RXXSEBCPSA-N 354.538 4.184 0 40 FIAB c1ccc(Cn2ccnc2SCc2noc(-c3ccsc3)n2)cc1 32908192 HDLIGUGEKVTFIH-UHFFFAOYSA-N 354.460 4.335 0 40 FIAB CC[C@H](CNC(=O)c1cnn(-c2ccccn2)c1C(C)C)c1ccccc1 32911723 RMPZULFITKBICY-QGZVFWFLSA-N 362.477 4.314 0 40 FIAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(Cl)c1 36635797 GXLRKWOBSWMAHC-CYBMUJFWSA-N 369.635 4.391 0 40 FIAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccc3ncccc23)o1 36740255 XJFKVCXMFNZYII-UHFFFAOYSA-N 360.461 4.425 0 40 FIAB COc1cccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)c1 36740543 TZLBRVMELDPNMU-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB O=C(CSCc1cccc(Cl)c1)NCc1ccccc1-n1ccnc1 44901496 DYROKQASTSDFBV-UHFFFAOYSA-N 371.893 4.075 0 40 FIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(OC)cc1 44936495 YGMOMRUYHQYZOX-NRFANRHFSA-N 363.461 4.130 0 40 FIAB O=C(Nc1cccnc1N1CCCC1)c1ccc(Oc2ccccc2)nc1 48235987 RZDCLRBQSQNIMK-UHFFFAOYSA-N 360.417 4.121 0 40 FIAB O=C(Nc1ccccc1-n1cccn1)N1CCC(Cc2ccccc2)CC1 48340788 ILRCGMCEAMXHHA-UHFFFAOYSA-N 360.461 4.359 0 40 FIAB CC(C)Oc1ccc(CCNC(=O)c2cc(F)c(Cl)nc2Cl)cc1 57912391 CEZXEFKOSUEINY-UHFFFAOYSA-N 371.239 4.287 0 40 FIAB CCc1sc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1C 60127681 KDCZKDFBNUMZHW-CYBMUJFWSA-N 357.397 4.101 0 40 FIAB COC(=O)c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)o1 65487650 CBTFPYRHVBAMIA-KHPPLWFESA-N 357.387 4.081 0 40 FIAB O=S(=O)(CCNCc1sc2ccccc2c1Cl)c1ccccc1 65933532 SYWBLDMXSXBACJ-UHFFFAOYSA-N 365.907 4.118 0 40 FIAB CCOCCCn1c(SCc2cccc(C)c2)nc2ccccc2c1=O 67259152 SKFWTLHGVUIINC-UHFFFAOYSA-N 368.502 4.424 0 40 FIAB CCOC(=O)C[C@@H](NC(=O)Nc1cccc2cccnc12)c1ccccc1 69460959 PQCLXQXCNPTPRG-GOSISDBHSA-N 363.417 4.051 0 40 FIAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)Oc1ccccc1 70931438 JUELWBHWFNEDIH-UHFFFAOYSA-N 367.474 4.301 0 40 FIAB Cc1nc(C(C)(C)C)sc1C(=O)N[C@H]1CCN(C2CCCCCC2)C1 72230572 YGVUYBVSOGRYPS-HNNXBMFYSA-N 363.571 4.276 0 40 FIAB COc1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)cs2)cc1 73925346 ZSVRNGOFHBRDLL-UHFFFAOYSA-N 359.472 4.101 0 40 FIAB CC[S@](=O)c1ccccc1C(=O)N[C@@H](C)c1oc2ccccc2c1C 89274741 SXXXFQLXNZVIBX-HWRSSNJWSA-N 355.459 4.360 0 40 FIAB Cc1cnn(-c2ccc([C@@H](C)N[C@@H](C)c3cnc(C)nc3C)cc2F)c1 90118062 CVLIAODPVRRYJW-KGLIPLIRSA-N 353.445 4.138 0 40 FIAB C[C@@H](c1cccnc1)N(C)Cc1csc(COc2ccc(F)cc2)n1 93227223 ACNACJPZUCMEAT-AWEZNQCLSA-N 357.454 4.449 0 40 FIAB CO[C@H](C)c1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 95402774 GTCXZNIJGBHSSQ-UTKZUKDTSA-N 352.478 4.387 0 40 FIAB Cc1cc(C)nc(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)n1 95481999 VSFMTJKDHRIQHU-IBGZPJMESA-N 363.486 4.243 0 40 FIAB CC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2 104129538 KPWSVWWMYDUDID-VBKFSLOCSA-N 373.408 4.173 0 40 FIAB Cc1nc(-c2ccccc2NC(=O)NCCOc2ccccc2)cs1 206909704 NRTLOIZGJDFNFS-UHFFFAOYSA-N 353.447 4.319 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)s1 222729370 RHSCTLRNLGIKKD-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 222981900 FESXVARKMUFLOX-LJQANCHMSA-N 355.434 4.195 0 40 FIAB COc1ccc(-c2ncc(C(=O)N[C@@H](C)c3ccc(F)cc3)c(C)n2)cc1 223147275 IPVKBZSHSHFKRJ-ZDUSSCGKSA-N 365.408 4.091 0 40 FIAB COc1cccc(OCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c1 223370809 BSPYNCMDQBYGOU-INIZCTEOSA-N 371.477 4.392 0 40 FIAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 223374935 BEECYKSNYXOVGQ-ZDUSSCGKSA-N 373.324 4.427 0 40 FIAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 223745824 HNWAQRJYLLYGPM-RTBURBONSA-N 365.458 4.169 0 40 FIAB Cc1nc(NC(=S)N[C@H](C)c2ccccc2)ccc1Br 223955286 JOHKGEMHAAXZPD-SNVBAGLBSA-N 350.285 4.200 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 224067571 KYSMREBWDAQXOE-OAHLLOKOSA-N 367.445 4.066 0 40 FIAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224649921 QKGOYKVVOWMDPT-UHFFFAOYSA-N 357.834 4.011 0 40 FIAB Cn1c(=O)sc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc21 225019456 KUQHPSUUDCGKPF-UHFFFAOYSA-N 353.230 4.159 0 40 FIAB CC[C@@H](C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257295375 QYBFRBATERUXSG-QGZVFWFLSA-N 352.478 4.003 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2ccccc2OC(F)F)c(F)c1F 408620011 GLJFZJNANIFIRO-UHFFFAOYSA-N 365.229 4.105 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)CC1 408708906 VEEKYQDGPJDEMG-VIQWUECVSA-N 370.537 4.459 0 40 FIAB COC(=O)c1ccc(C(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 575621757 SXXBUARZUIUDQW-ZDUSSCGKSA-N 353.443 4.049 0 40 FIAB Cc1cccc(O[C@@H]2CCC[C@H](NCCc3ccc(C)c(C)c3)[C@H]2O)c1 585288497 CEKXSKZWWQHCKH-YTFSRNRJSA-N 353.506 4.105 0 40 FIAB COc1cccc([C@@H](C(=O)O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 634690936 XDGNHUOLOAETGP-NRFANRHFSA-N 364.445 4.182 0 40 FIAB CC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CCCC(=O)N2 642295791 SAACONRHVFAIEV-UHFFFAOYSA-N 354.425 4.151 0 40 FIAB O=C(c1ccc([C@@H]2CCCOC2)cc1)N1CCCO[C@@H](c2ccccc2)C1 679469557 PWWGMKBJLFBSLT-FGZHOGPDSA-N 365.473 4.184 0 40 FIAB Cn1cc(-c2ccc(CNc3ccc([C@@H](O)C(F)(F)F)cc3)s2)cn1 1560559402 JQMDALNUYCFTTQ-MRXNPFEDSA-N 367.396 4.356 0 40 FIAB Cc1cccnc1OCC1CCN(C(=O)Nc2ccccc2Cl)CC1 1775969476 UGUGBKAIYMWKCT-UHFFFAOYSA-N 359.857 4.366 0 40 FIAB O=C1C[C@@H](c2cccc(Cl)c2Cl)c2cc3c(cc2N1)OCCO3 816174 ZGOUSEFRRPIKNG-JTQLQIEISA-N 350.201 4.239 0 40 FIAB O=C(Nc1ccc(Cl)cc1)n1ccc(-c2ccc(-n3ccnc3)cc2)n1 1402342 PILUHDGHTRZWRX-UHFFFAOYSA-N 363.808 4.469 0 40 FIAB O=C1CS[C@H](c2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl 1402942 RZPSYDCRZGCURQ-OAHLLOKOSA-N 352.242 4.341 0 40 FIAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1CCOc1ccccc1 1787567 XQRYULGKMCHECM-UHFFFAOYSA-N 366.417 4.343 0 40 FIAB Cc1ccc(S(=O)(=O)n2c3ccc(F)cc3c3nc(C)sc32)cc1 2221762 BFPIYAWVGCJUOP-UHFFFAOYSA-N 360.435 4.244 0 40 FIAB O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccc(F)cc1 3246656 MNWRJVBOBIJORD-UHFFFAOYSA-N 354.402 4.497 0 40 FIAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccccc1 3356369 DINKHPOPEIXZHG-ZDUSSCGKSA-N 370.503 4.270 0 40 FIAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1 3401457 UWHHOJCBLMFWLU-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC 3884668 GXGTZVWKVFYSFS-UKTHLTGXSA-N 355.415 4.329 0 40 FIAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2nccs2)[C@H]2CCCCC2=C2CCCC[C@@H]21 4946259 UAEKMUHPIUFOAJ-VGWMRTNUSA-N 360.479 4.089 0 40 FIAB COc1cc(OC)cc(-c2nnc(SCCOc3ccc(C)cc3)o2)c1 5435326 QXTJFZLDMWOURM-UHFFFAOYSA-N 372.446 4.233 0 40 FIAB CCc1cc2c(CSc3nc4ccccc4o3)cc(=O)oc2cc1O 5628933 ZEYWNNZMCKZKRZ-UHFFFAOYSA-N 353.399 4.495 0 40 FIAB COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 6607497 QBTSZIAGIVJKNV-UHFFFAOYSA-N 353.871 4.383 0 40 FIAB CN(C)c1ccc(/C=C2/C(=O)N(C)c3ccccc32)cc1Br 6949905 SBVFNCGUUWLWPO-GXDHUFHOSA-N 357.251 4.032 0 40 FIAB Cc1cc(NC(=O)COc2ccc(F)c(F)c2)ccc1Br 7401225 RSOAGLYFYBAYRX-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB O=C(NCc1ccccc1)/C(=C/c1cccs1)c1nc2ccccc2[nH]1 7488757 GGPDWBCGWKBTDE-GHRIWEEISA-N 359.454 4.481 0 40 FIAB CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1 8254056 TYTRZZWUTCWEGC-UHFFFAOYSA-N 363.885 4.178 0 40 FIAB O=C(NCCCn1ccnc1)c1ccc(-c2cccc(Cl)c2Cl)o1 8424743 KEWOTZUSONNDQV-UHFFFAOYSA-N 364.232 4.270 0 40 FIAB Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 8747110 GMOARNRYRMGHIC-GOSISDBHSA-N 373.456 4.034 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3cccs3)cs2)cc1 9314156 GJSIVDJSGREIMR-UHFFFAOYSA-N 358.444 4.092 0 40 FIAB C[C@@H]1CCc2sc3ncn4c(-c5cc(Cl)ccc5O)nnc4c3c2C1 9576942 ANZPYGJBWREVLK-SECBINFHSA-N 370.865 4.490 0 40 FIAB CCCCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12 11613806 UJEVFFGAFPPEMS-UHFFFAOYSA-N 359.447 4.090 0 40 FIAB C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)c1ccccc1 12087787 CJNONHPFEREEGU-MRXNPFEDSA-N 359.473 4.327 0 40 FIAB CC(C)n1nccc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1 12193134 KYHIRDDDLLGDNA-UHFFFAOYSA-N 365.389 4.237 0 40 FIAB CS(=O)(=O)c1ccc(Cn2c(-c3cccs3)cc3cccnc32)cc1 12222717 JNWFIXZSGFXQKF-UHFFFAOYSA-N 368.483 4.217 0 40 FIAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1Cl 12777072 OZPKQCLWQYWHOB-CYBMUJFWSA-N 371.868 4.249 0 40 FIAB CC(=O)c1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)cc1 12878146 HYXYKYILIZJRGE-UHFFFAOYSA-N 374.843 4.285 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 13123804 WMZGGPQGBNBMDT-CHWSQXEVSA-N 370.478 4.100 0 40 FIAB O=C(CSCc1c(F)cccc1Cl)NCCCc1ccccc1 13667724 HXUSDIDPSRGKNC-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 13685671 ICRQUUDGVNSDMG-CYBMUJFWSA-N 374.868 4.274 0 40 FIAB CCC(CC)c1nnc(NC(=O)Cc2csc(-c3ccccn3)n2)s1 14634748 VXYJOZNJXWEHRS-UHFFFAOYSA-N 373.507 4.141 0 40 FIAB Cc1cc(-c2[nH]c3[nH]c(=O)[nH]c(=O)c3c2-c2cc(C)sc2C)c(C)s1 15085161 QZDONUFYPQFFOF-UHFFFAOYSA-N 371.487 4.235 0 40 FIAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2C1=O 15585826 MEMBWZAHABLIRG-UHFFFAOYSA-N 374.799 4.128 0 40 FIAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cccc(OC)c2)s1 17056425 QDLNIESOYLFPRE-MRXNPFEDSA-N 353.447 4.341 0 40 FIAB O=C(CSCc1ccccc1)NCc1cc(-c2ccc(F)cc2F)on1 17189559 IIUMKMBWETUPGQ-UHFFFAOYSA-N 374.412 4.169 0 40 FIAB COc1cc(CN2CCCCC[C@@H]2c2cc(C)on2)cc(OC)c1OC 19119380 XNSHGRXKUUTVRQ-QGZVFWFLSA-N 360.454 4.126 0 40 FIAB CCc1nccn1[C@H](C)C(=O)Nc1ccc2[nH]c(Cc3ccccc3)nc2c1 19718528 ZNDHUDONAVFREU-OAHLLOKOSA-N 373.460 4.112 0 40 FIAB COc1ccc([C@H]2SCC(=O)N2c2nc3ccc(OC)cc3s2)cc1 19802085 GSGJTYHIKACSLW-QGZVFWFLSA-N 372.471 4.092 0 40 FIAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1cccc(C)c1 19927610 RSYIVEOSJCQTQT-UHFFFAOYSA-N 353.447 4.264 0 40 FIAB CCOc1cccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)c1 19931571 UAVOQCPXZCTRJI-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(Cl)c1 20144369 CNIAYGGBWLPWPQ-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB CCCCC(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151306 JXJWWXKWNSVTNK-UHFFFAOYSA-N 366.870 4.096 0 40 FIAB O=C1C(c2ccccc2)=NC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 21147547 AIHIVXOEMDOREN-UHFFFAOYSA-N 366.848 4.472 0 40 FIAB COc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[nH]2)c1 21883819 YSHJHCRLZPTORQ-UHFFFAOYSA-N 363.442 4.219 0 40 FIAB CCN1CCC[C@@H]1CNCc1ccc(OCc2ccccc2Cl)cc1 22935985 YYFWEWXUWSEXBN-LJQANCHMSA-N 358.913 4.493 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1OC(F)(F)F 24928927 MDZHZGICCBMVIV-UHFFFAOYSA-N 366.383 4.273 0 40 FIAB O=C(Nc1ccccc1-n1cncn1)c1cc2c(s1)CCCCCC2 25003180 WNQNIIIBBMVLFE-UHFFFAOYSA-N 352.463 4.240 0 40 FIAB COc1ccc(OC)c(CN(C(=O)c2ccc(F)cc2Cl)C2CC2)c1 25804500 SOEUERJHBBFUBE-UHFFFAOYSA-N 363.816 4.301 0 40 FIAB O=c1c2ccc(-c3ccc(Br)s3)nc2[nH]n1-c1ccccc1 32096501 OWLXILNAPPRBBF-UHFFFAOYSA-N 372.247 4.205 0 40 FIAB Fc1ccc2c(C3=CCN(Cc4nc(-c5ccco5)no4)CC3)c[nH]c2c1 32932782 FBCCWQYLZZEDJJ-UHFFFAOYSA-N 364.380 4.239 0 40 FIAB Cc1noc(-c2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc2)n1 32970336 QQKZIEMWGYTMOQ-PXAZEXFGSA-N 351.406 4.034 0 40 FIAB CC(=O)N[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 34513647 XAPSNYLSUGRKQO-FQJIPJFPSA-N 373.537 4.386 0 40 FIAB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(F)cc2Cl)c1C 39995065 WZGLAULPUPPZKO-GFCCVEGCSA-N 353.821 4.367 0 40 FIAB CCn1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c2ccccc21 40017425 KLBHEVVGRDSOEA-UHFFFAOYSA-N 361.489 4.009 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1OC 40268229 TZODDQWUUCHEJF-OAHLLOKOSA-N 367.380 4.152 0 40 FIAB Cc1cc(C)c2cc(C(=O)NCc3cn4cc(Cl)ccc4n3)[nH]c2c1 42801504 USZPQCHWZXHFOY-UHFFFAOYSA-N 352.825 4.016 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(c2cnccn2)C1 44893303 HWCNBFAFXVNSIP-KRWDZBQOSA-N 374.444 4.124 0 40 FIAB O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)Nc1ccc(Cl)cn1 58407560 MMDBCODAZKIERQ-UHFFFAOYSA-N 368.868 4.034 0 40 FIAB Cc1nc(-c2cccc(NC(=O)Cc3c(Cl)cccc3Cl)c2)n[nH]1 71945352 GZKBEOPNIHOUCR-UHFFFAOYSA-N 361.232 4.268 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 72235820 BYCPJKPBGASPNK-KRWDZBQOSA-N 368.477 4.338 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)cc1 80343746 JATBHHIVGKABJG-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB CC(=O)c1c(C)cc(C)c(COC(=O)c2cc(-c3ccco3)[nH]n2)c1C 84076869 UTXTXBHNNWLVIQ-UHFFFAOYSA-N 352.390 4.155 0 40 FIAB O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1ncoc1-c1cccs1 89836658 WWIUHOOFAOJUIO-CVEARBPZSA-N 368.458 4.271 0 40 FIAB CCc1nc(C)sc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 95476917 JMKDSAPAEKKYHQ-UHFFFAOYSA-N 351.475 4.425 0 40 FIAB CC(C)OCc1c(-c2cccc(F)c2)c2cc3c(cc2[nH]c1=O)OCCO3 98086840 CCCPKBWFQHPPRS-UHFFFAOYSA-N 369.392 4.030 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)COCc2ccc(Cl)cc2)C1 102390068 JDGKRHQXJPOJFV-CMKODMSKSA-N 351.918 4.118 0 40 FIAB Cc1cccnc1[C@@H](NC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C 172157625 ZAZOJWCFLTUXPD-FQEVSTJZSA-N 362.477 4.336 0 40 FIAB CC(C)(C)n1cc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)nn1 190172426 CFPYBXUYLYMWEV-NKSUMMKUSA-N 358.511 4.193 0 40 FIAB O=C(Cc1ccc(F)cc1F)N1CCS[C@@H](c2ccccc2F)CC1 219126480 ZXZQBNBUVHPLCA-GOSISDBHSA-N 365.420 4.353 0 40 FIAB C[C@@H]1CCCN(c2ccc(NC(=S)NCCCc3ccccc3)cn2)C1 223963335 BRHDSUFDLFRFAW-QGZVFWFLSA-N 368.550 4.237 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 224017499 BBYYRUAGUSZODP-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224696894 FOPFIHCQZKOVIU-JOCHJYFZSA-N 366.505 4.146 0 40 FIAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NC1CCCC1 224874374 PFDSXIVULFZJKJ-UHFFFAOYSA-N 363.255 4.096 0 40 FIAB Cc1ccccc1CNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225310452 MNHXZKMUPLXAEV-UHFFFAOYSA-N 367.518 4.108 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2Cl)s1 225551574 CHKNKUCALFIYTK-NSHDSACASA-N 371.915 4.490 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc3ccccc3cc2OC)c1 225764397 BRKVEZGQJVLTNH-CQSZACIVSA-N 365.429 4.357 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)S1 260786365 WOVUKKKQZPXSHH-CDHQVMDDSA-N 360.486 4.462 0 40 FIAB CCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 408629220 QHGVOQJTCCEOHP-LBPRGKRZSA-N 372.490 4.013 0 40 FIAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccco1 408731725 PJQPRUHDUJSUTI-QGZVFWFLSA-N 356.447 4.397 0 40 FIAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)Oc2ccccc2)cc1 408737307 NLJKKDANKYNCQT-OAQYLSRUSA-N 374.440 4.333 0 40 FIAB C[C@H](c1ccccc1)c1nc(-c2ccc(OC3CCOCC3)cc2)no1 547208640 HSIGPEJJVXSJQJ-OAHLLOKOSA-N 350.418 4.446 0 40 FIAB O=C(NCCN1CCCCC1)Nc1cccc(Sc2ccccc2)c1 594912805 MYOIEMUPQCJTCQ-UHFFFAOYSA-N 355.507 4.445 0 40 FIAB COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CC[C@H]2C[C@H]2C1 665892890 JQDIXUIEHVZGFE-HOTGVXAUSA-N 370.424 4.287 0 40 FIAB COc1ccc([C@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1 1547212396 IWSNJOJSVCMABH-LJQANCHMSA-N 373.412 4.026 0 40 FIAB C[C@H]1C[C@H]1c1cc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)n[nH]1 1570721341 UDGXOJBWCSTFJJ-PWNZVWSESA-N 358.511 4.465 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc([C@H]2CCCO2)s1 7996142 YOANJVJTPDVDLA-GFCCVEGCSA-N 372.475 4.074 0 40 FIAB Cc1ccc(CN(C)CCS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 7902344 AGEDFWVKBRXUNE-UHFFFAOYSA-N 372.317 4.208 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2)n1 16477260 NDQUBDHEOGMLGI-UHFFFAOYSA-N 369.808 4.124 0 40 FIAB COc1ccc2nc(NC(=O)Cc3c(F)cccc3Cl)sc2c1 2623166 MBHLPBMHXHTDKA-UHFFFAOYSA-N 350.802 4.279 0 40 FIAB CC(=O)c1ccc(NC(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 6552010 MKLGDQMHORNZHA-UHFFFAOYSA-N 367.445 4.227 0 40 FIAB CCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 6654741 WBCUNZPDLJUECK-GDNBJRDFSA-N 358.375 4.301 0 40 FIAB CNC(=O)c1ccc(CN(C)C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 7846328 YFJYRHBTIXAKAB-IBGZPJMESA-N 372.896 4.098 0 40 FIAB CCOc1ccc(C(=O)CSc2nc3ccccc3n2CCOC)cc1 2621320 MXLLGGZRFDIPQL-UHFFFAOYSA-N 370.474 4.056 0 40 FIAB Cc1ccccc1Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 2721506 HALHUJBOVDQHPB-UHFFFAOYSA-N 363.505 4.488 0 40 FIAB Nc1nc2n(n1)[C@@H](c1cccs1)C[C@@H](c1ccc(Cl)cc1Cl)N2 803161 YKXHMELMOMONEH-NWDGAFQWSA-N 366.277 4.375 0 40 FIAB CC1=NN(c2ccc(C(=O)N[C@H]3CCCOc4ccc(F)cc43)cc2)CC1 54282663 NUMNQPOAVSXVIH-IBGZPJMESA-N 367.424 4.055 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1C 2919788 SZTHWKSEMKLMNT-HOTGVXAUSA-N 357.820 4.229 0 40 FIAB O=C1C(Cl)=C(Nc2ccc(F)c(Cl)c2)C(=O)N1C1CCCCC1 940332 PFMWIAUHOKLYLP-UHFFFAOYSA-N 357.212 4.043 0 40 FIAB C[C@@H](NCc1nc(COc2ccc(F)cc2)no1)c1ccccc1Cl 23358547 KTYMORNNVUFHHT-GFCCVEGCSA-N 361.804 4.292 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(Cl)c2c(c1)OCO2 12465986 YTNYKRNJNSIGSP-UHFFFAOYSA-N 371.776 4.389 0 40 FIAB CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 101113414 OKSBTXFKAFWJRO-CCECPURYSA-N 358.532 4.155 0 40 FIAB Cc1cccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c1 1321133 LPSJWGYZBFSLQZ-OAHLLOKOSA-N 367.518 4.361 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccnc1Cl 12540737 QIQQCFOMXYTPGM-CQSZACIVSA-N 358.873 4.164 0 40 FIAB CC(=O)Nc1c(C)ccc(N[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107336997 MKXKTCBAYJNTNS-PTIUUAQKSA-N 371.525 4.003 0 40 FIAB Cc1cccc(N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)CC2)c1C 57058584 MNVBLKMEHMHIDA-SFHVURJKSA-N 361.489 4.178 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1F 20041545 PZEAGUJAVJSAOH-ZDUSSCGKSA-N 365.470 4.171 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc(C)c1Cl 20144333 KIVQGHCQHGCHCY-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cc(Cl)cc(Cl)c1 1934481 ICFIQMZFZSEIHX-VOTSOKGWSA-N 350.201 4.189 0 40 FIAB Cc1cnn(CC2CC2)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 58157639 JKLUXXZHHIIVQW-UHFFFAOYSA-N 369.396 4.165 0 40 FIAB CCCCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl 27823840 KFXGEZQEBUONTI-BBRMVZONSA-N 359.919 4.376 0 40 FIAB CC(C)N(C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCC1 78184414 NDRAAIJRMMFOIJ-UHFFFAOYSA-N 351.372 4.294 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1 3314630 JCMXKMLOEFOTEC-UHFFFAOYSA-N 359.447 4.016 0 40 FIAB COc1ccccc1CNc1nc(-c2ccc(CNC(C)=O)cc2)cs1 8208405 QKPAJCNGHXDOJY-UHFFFAOYSA-N 367.474 4.067 0 40 FIAB O=C(c1ccc(Cl)nc1)N1CCCc2cc(Br)ccc21 48301473 JILQYGWTUQGWDN-UHFFFAOYSA-N 351.631 4.091 0 40 FIAB CC(=O)c1ccc(NC(=S)N2C(=O)CSc3cc(C)ccc32)cc1 28527765 RLSBPANDORHDNT-UHFFFAOYSA-N 356.472 4.033 0 40 FIAB COc1ccc(C)cc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6430057 ATNBCVZUPPMQRU-UHFFFAOYSA-N 371.477 4.092 0 40 FIAB CCOc1ccc(-c2cnc(NCc3ccccc3OCC)n2C)cc1 4678929 OYYUJFNICDQZOK-UHFFFAOYSA-N 351.450 4.497 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccccc2Br)cc1Cl 5617121 RRWRFYBDRYUAOG-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)C12CCCCC2 70666475 QYESQEDVDNPDIU-LPHOPBHVSA-N 356.510 4.252 0 40 FIAB biogenic C[C@H]1Sc2ccc(C(=O)N[C@H](C)c3cc4ccccc4o3)cc2NC1=O 15040465 JRCWUVJXJIODAQ-VXGBXAGGSA-N 366.442 4.357 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cccc(Cl)c2Cl)[C@@H]1C 7108503 COHYXQOYAHWUDQ-GYSYKLTISA-N 358.265 4.091 0 40 FIAB CCCC(=O)Nc1ccc(C(=O)CSc2ccc(NC(C)=O)cc2)cc1 7293653 LRFODBBVPBWIBF-UHFFFAOYSA-N 370.474 4.359 0 40 FIAB CCC(CC)c1cc(C(=O)NC2CCN(c3cc(C)ccc3F)CC2)on1 96003899 WKZNQZWWESSHPD-UHFFFAOYSA-N 373.472 4.425 0 40 FIAB Cc1cc(C(F)(F)F)nc(NCc2ccnc(OC3CCCC3)c2)n1 95469188 FFTLBOOYFUQDLR-UHFFFAOYSA-N 352.360 4.132 0 40 FIAB C[C@H]1C[C@@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCO1 95458145 BSKXJXVEXSPGMT-GJZGRUSLSA-N 360.454 4.055 0 40 FIAB CC(C)n1cc(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 79476630 MXSIUTBTCMSNDE-JOCHJYFZSA-N 362.473 4.365 0 40 FIAB CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCCC1 97840724 ASBNPLJCFMHFTD-UHFFFAOYSA-N 353.344 4.160 0 40 FIAB O=C(Nc1cccc(-c2nc(-c3ccncc3)no2)c1)c1ccc(F)cc1 74454174 QEDPFYMRFSXWCI-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB CCC(=O)Nc1cc2nn(-c3ccc(N(CC)CC)cc3C)nc2cc1C 20611064 NBPQDHWHINYQAW-UHFFFAOYSA-N 365.481 4.232 0 40 FIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cc2ccccc2o1 219951133 LZFUBUIETSRNKS-UHFFFAOYSA-N 367.792 4.408 0 40 FIAB Cc1noc2nc3c(c(C(=O)Nc4ccc(Br)cc4)c12)CCC3 35686458 GBJCWTIITSMKMS-UHFFFAOYSA-N 372.222 4.035 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 32409256 CFWZQCKIFFUKSG-LLVKDONJSA-N 359.838 4.265 0 40 FIAB COCc1ccccc1NCc1nnc(-c2cccc(Br)c2)o1 133242203 FIXGGIPQSVKKES-UHFFFAOYSA-N 374.238 4.258 0 40 FIAB Cc1cccc(CN2CCC[C@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 72353635 HXRHBVIASYNZLG-FQEVSTJZSA-N 360.505 4.479 0 40 FIAB COc1ccc2cc(C(=O)NCc3ccnc(-c4ccsc4)c3)[nH]c2c1 225756604 LGIUVJXESXPESS-UHFFFAOYSA-N 363.442 4.230 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2cccc(C(F)(F)F)c2)cc1 224587048 ZWLKXJUAGZZALH-UHFFFAOYSA-N 373.396 4.319 0 40 FIAB Cc1ccccc1C1(NC(=S)Nc2ccc3c(c2)OCO3)CCCC1 225851869 CFNQFMSODDAZLU-UHFFFAOYSA-N 354.475 4.480 0 40 FIAB Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc3c(c2)OCCO3)cc1C 223488638 YECDMGMXXSMWKT-QGZVFWFLSA-N 353.462 4.193 0 40 FIAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C 223368499 ZQNILVZKBRBSBC-UHFFFAOYSA-N 351.493 4.225 0 40 FIAB CCCCCn1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O 40396540 WOJOAENWBLUQGL-UHFFFAOYSA-N 350.397 4.041 0 40 FIAB CCC1(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)CCCC1 225871032 NVXXKCVXHOOGQQ-UHFFFAOYSA-N 359.539 4.322 0 40 FIAB CC(=O)NCCCCC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 575442941 KOXXVNXNKDCCNJ-INIZCTEOSA-N 365.905 4.280 0 40 FIAB Cc1ccc(S(=O)(=O)n2cc(Br)c3cccc(C)c32)cc1 90395688 DVIYUHTVTCSRJG-UHFFFAOYSA-N 364.264 4.258 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2nc(Cl)sc2CC(C)C)cc1 96231887 LKEWVBLZZIWYHI-UHFFFAOYSA-N 351.859 4.206 0 40 FIAB COc1cccc(NC(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1OC 253471031 AMLMKXUJYGKOKO-ZDUSSCGKSA-N 354.406 4.203 0 40 FIAB Cn1c(=O)cc(C(=O)N2Cc3ccccc3-c3ccccc32)c2ccccc21 1332909979 WQPAAQURFSMSBQ-UHFFFAOYSA-N 366.420 4.366 0 40 FIAB CCOCc1ccc(-c2cnc3c(cnn3C3CCN(C)CC3)c2)cc1F 623168633 CPSKWHSUVCCHLT-UHFFFAOYSA-N 368.456 4.041 0 40 FIAB COC(=O)c1cc(CNC(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)oc1C 1136207268 DGRFNASQCBJZLT-UHFFFAOYSA-N 368.433 4.083 0 40 FIAB Cc1ccc(-n2cc(C(=O)N[C@H](C)[C@@H]3CCCCO3)c(C(C)(C)C)n2)cc1 679082159 HCZVRJAKFYPZRY-APWZRJJASA-N 369.509 4.166 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 5399498 SCKNUIAZCHLYEZ-UHFFFAOYSA-N 362.886 4.183 0 40 FIAB Cc1cccc(Nc2nnc(S[C@@H](C(N)=O)c3ccccc3)s2)c1C 11413832 JATVPNQDAHBWLZ-OAHLLOKOSA-N 370.503 4.217 0 40 FIAB Fc1ccc(-c2cnc(-c3ccncc3)c(CN[C@H]3CCCOC3)c2)cc1 12337335 GKQMUSIJAYQJBR-NRFANRHFSA-N 363.436 4.218 0 40 FIAB O=c1cc(-c2ccccc2)[nH]c2cc(-c3ccc(Br)cc3)nn12 13470543 MHYDQXUHDMSMPW-UHFFFAOYSA-N 366.218 4.119 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14007079 MVFOJQLUKOSQKM-CYBMUJFWSA-N 374.868 4.274 0 40 FIAB O=C([C@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]2CCCC[C@@H]21)N1CCCC1 14952150 QXSFPRUSCMGQOM-LNNXQNCSSA-N 353.462 4.114 0 40 FIAB biogenic,in-vitro O[C@H](CNCc1cccc(OCc2ccccc2F)c1)c1ccccc1 16477508 JGDFEHSLVPDZIB-JOCHJYFZSA-N 351.421 4.228 0 40 FIAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 169682769 CPVAUVXVNODHPE-HFOBELJZSA-N 355.743 4.060 0 40 FIAB C[C@@H](NC(=O)CSCc1cccs1)c1cccc(OC(F)F)c1 36397916 CPBZEOICUJEKNK-LLVKDONJSA-N 357.447 4.460 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc4c(c3)OCCO4)sc2n1 29893017 MLNANVRCMXJAJE-UHFFFAOYSA-N 354.431 4.245 0 40 FIAB CO[C@H]1CCC2(CCN(C(=O)c3csc(C)n3)CC2)c2ccccc21 1565556534 VHXNGTPUHXGECU-SFHVURJKSA-N 356.491 4.107 0 40 FIAB CCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 2706268 BRIUTKMJJFBWCU-UHFFFAOYSA-N 357.508 4.078 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1nc2c(s1)COc1ccccc1-2 4224097 SDVQPJURUAMQMU-UHFFFAOYSA-N 372.833 4.373 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCS[C@@H](c3ccccc3C)CC2)cc1 207003117 BDLYSHPPNVHCCX-LJQANCHMSA-N 369.486 4.102 0 40 FIAB CC(C)CS(=O)(=O)CCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 40117658 PAANVJYFVQLONN-FQEVSTJZSA-N 367.555 4.084 0 40 FIAB CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)OC3)ccc1O 1422765 WLQFCUDDGPHEBZ-JOCHJYFZSA-N 373.408 4.421 0 40 FIAB CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)c1c[nH]c2ccccc12 2029278 LQWQESSMLDEAJS-IBGZPJMESA-N 365.429 4.042 0 40 FIAB CC[C@]1(Br)C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1 2294245 NNPNNSVEUUORNH-XHDPSFHLSA-N 359.647 4.077 0 40 FIAB Brc1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 2427919 JESRTBMLTJVQGT-QWHCGFSZSA-N 361.268 4.248 0 40 FIAB C[C@H]1CCc2sc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cc2C1 3381197 HZOZRXFMPFHFND-LBPRGKRZSA-N 353.443 4.394 0 40 FIAB Cc1nnc(SCc2nnc(-c3cccs3)o2)n1C1CCCCC1 3408953 MTQGBQVSNSMSPV-UHFFFAOYSA-N 361.496 4.496 0 40 FIAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc4ccccc4c3)cc12 3911842 YSBLQJLKRHLUCC-UHFFFAOYSA-N 370.452 4.271 0 40 FIAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 4248109 FPCQITUUMWEVDZ-OAQYLSRUSA-N 373.408 4.402 0 40 FIAB Cc1ccc(CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1 4513611 FFLQOMPMUBGGTH-GOSISDBHSA-N 363.244 4.269 0 40 FIAB Cc1cc(C)cc(OCCSc2nc(-c3ccccc3)cc(=O)[nH]2)c1 4625635 FAVLLBNYWSWJQW-UHFFFAOYSA-N 352.459 4.225 0 40 FIAB CCCCCCC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(C(F)(F)F)C1 4676381 XKFXSBFKIOBHGX-QGZVFWFLSA-N 372.387 4.124 0 40 FIAB COc1ccc(-c2nc3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 4848423 LHRMYXWTZQESGZ-UHFFFAOYSA-N 373.412 4.351 0 40 FIAB C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)N1c2ccccc2C[C@H]1C 5109668 ZDXFHPRAOBICQB-NEPJUHHUSA-N 361.800 4.002 0 40 FIAB O=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 5577262 CPBMLQMVWFSZBW-UHFFFAOYSA-N 363.348 4.066 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nncn2-c2ccccc2)c(Cl)c1 5621786 DSENIZHOEGESKG-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2C)c(C)c1 5652608 AIGPBWHVQLANNL-RHSMWYFYSA-N 372.490 4.007 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C(N)=O)C1 6045438 XCJBNTFLGHULIW-GFCCVEGCSA-N 372.490 4.013 0 40 FIAB Fc1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2ccccc2)cc1 6831682 FUILZIMGQSLHKL-KRWDZBQOSA-N 355.438 4.345 0 40 FIAB CCn1c(SCCOc2ccccc2)nnc1-c1ccc(OC)cc1 7341870 IXAGMHHAUQBTFC-UHFFFAOYSA-N 355.463 4.145 0 40 FIAB Brc1ccc(-c2noc(-c3cc(-c4ccco4)[nH]n3)n2)cc1 7424907 COJLSDKZSMHXBN-UHFFFAOYSA-N 357.167 4.149 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc2c(s1)CCC2 7824182 XPQHBPCRZCXPOE-UHFFFAOYSA-N 365.502 4.028 0 40 FIAB Cc1ccc2c(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)coc2c1C 8232125 WOQLBWQUOUJWND-UHFFFAOYSA-N 362.429 4.123 0 40 FIAB O=C1NC2=C(CCc3ccccc32)[C@@H](c2ccc(Br)cc2)N1 9109160 XTIBAFMYLAETDT-MRXNPFEDSA-N 355.235 4.161 0 40 FIAB CC(=O)c1cc(CCC(=O)Nc2ccc(C)cc2Br)oc1C 9114453 IWQTUPZOUDUPGX-UHFFFAOYSA-N 364.239 4.433 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 9347055 LIRZIZKPTYRTBS-QMMMGPOBSA-N 359.929 4.423 0 40 FIAB COc1ccc(OCCCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 10429545 ZWLVYAPYGUKOTJ-UHFFFAOYSA-N 354.450 4.093 0 40 FIAB Cc1ccc(C2(CN3CCC[C@@H](CN4CCCC4=O)C3)CCCC2)cc1 12364537 UDRNNVQODLEVBW-HXUWFJFHSA-N 354.538 4.141 0 40 FIAB Cc1ccc2nc(SCc3nc4ccc(Cl)cc4n3CCO)[nH]c2c1 12551485 KLFRTCIFVPQIDE-UHFFFAOYSA-N 372.881 4.159 0 40 FIAB C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 12918257 PUCCKHQLFBKERQ-NSHDSACASA-N 366.244 4.185 0 40 FIAB CC1CCN(Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)CC1 12992094 FAACXXUFCZMRSD-UHFFFAOYSA-N 367.877 4.420 0 40 FIAB Cc1csc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)n1 13012030 DHDSEGVBJBWENY-UHFFFAOYSA-N 366.368 4.217 0 40 FIAB COc1ccc(-c2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)cc1 13690866 WBYQKEHXILAGMD-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB COC(=O)c1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 15452132 NGDYLDWCULIFMM-QGZVFWFLSA-N 352.459 4.420 0 40 FIAB O=C1COc2ccc(Cl)cc2N1Cc1ccc(Br)cc1 19991543 PKLKWTVWNUVORA-UHFFFAOYSA-N 352.615 4.028 0 40 FIAB CN1C(=O)CC[C@H](C(=O)Nc2cccc3ccccc23)[C@@H]1c1ccccc1 20714729 CLHQIIBHGJTAOT-UGKGYDQZSA-N 358.441 4.388 0 40 FIAB CCOc1ccccc1NC(=O)c1cccnc1SCC(F)(F)F 22522823 BCUGDFXUZPJJOM-UHFFFAOYSA-N 356.369 4.387 0 40 FIAB CC(C)/N=c1\ccccn1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 23198637 IAWZSNRWEAXSFE-JJIBRWJFSA-N 371.387 4.003 0 40 FIAB Cc1cccc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)c1 28575401 JZXFBDKGWBGNBT-UHFFFAOYSA-N 355.825 4.442 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2NC1=O 32502867 DHTLEZNLSPJVFN-VIFPVBQESA-N 366.895 4.106 0 40 FIAB COc1ccc2cc(C(=O)Nc3c(Cl)cccc3Cl)c(=O)oc2c1 33809603 AQQBIGWHGXDCNJ-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccccc3OC)c2c1 38487338 DWIHTUISDYCXOK-UHFFFAOYSA-N 352.390 4.172 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 38537735 JNONEWZULUQDJZ-CYBMUJFWSA-N 358.360 4.043 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 38629336 IXJUTVBEAZDPJW-ZDUSSCGKSA-N 357.401 4.191 0 40 FIAB COC(=O)C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 40160209 XLNYFIVXEKFPJK-UHFFFAOYSA-N 363.866 4.094 0 40 FIAB O=C(c1cnc2ccccc2c1)c1ccccc1I 45028940 OOUCKOMYTTUTES-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB CN(Cc1ccc(Cl)cc1Cl)[C@H](C(=O)NC1CC1)c1ccccc1 57446691 UPDDLMNWOKDJDS-SFHVURJKSA-N 363.288 4.445 0 40 FIAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 58168501 LLPBTGIRKMIDBK-LLVKDONJSA-N 350.340 4.347 0 40 FIAB COc1ccc(C)cc1NCCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 58823380 FQLFVLSADVXSTO-UHFFFAOYSA-N 368.264 4.333 0 40 FIAB CCC(=O)Cn1c(SCCOc2cccc(OC)c2)nc2ccccc21 76555387 ULOPXYHTNUMGTR-UHFFFAOYSA-N 370.474 4.195 0 40 FIAB Cc1nccc(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)n1 84290693 PSBJVXTWUDXHEE-JTQLQIEISA-N 367.396 4.335 0 40 FIAB CC(=O)CCCCCCC(=O)Nc1ccc2ccn(CCN(C)C)c2c1 89930325 WTUCNTLRDSIZKY-UHFFFAOYSA-N 357.498 4.071 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 95464358 ZMFZGULQAOPEOD-MJGOQNOKSA-N 370.497 4.204 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(C(F)(F)F)cc2)CC1 95932378 MAWUKDNZKBNXBC-UHFFFAOYSA-N 373.371 4.059 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 103717987 RJCPMYWAMHFLAU-JTQLQIEISA-N 367.207 4.124 0 40 FIAB Cc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 106783378 DINDWPTTZIWMLI-AQTBWJFISA-N 353.443 4.419 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 110385236 XIIHFOAFAHRIJB-SEJPIABJSA-N 373.500 4.022 0 40 FIAB CCOc1ccccc1NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170564661 SXHQNMUJPHDVDJ-UHFFFAOYSA-N 362.433 4.488 0 40 FIAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 216891392 ADCRRKFHFWBASW-BQYQJAHWSA-N 350.773 4.253 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOCc1ccccc1 224456325 LUVXJWDXLGJIQW-OAQYLSRUSA-N 363.457 4.330 0 40 FIAB CCOc1ccccc1CCCNC(=S)Nc1ccc(OC)c(OC)c1 225395629 XQRWJTLVSPTHDE-UHFFFAOYSA-N 374.506 4.022 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c1 225465593 OQFGKUPELKRMKB-AWEZNQCLSA-N 372.490 4.228 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)s1 225526105 MCUUJQNFJSMPPY-ZDUSSCGKSA-N 365.524 4.371 0 40 FIAB CC(=O)c1ccc(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 225671756 GRLWBBQWVYXFOD-UHFFFAOYSA-N 365.882 4.120 0 40 FIAB Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1nc2ncccc2o1 408628217 QYUGATYQBSWUKV-UHFFFAOYSA-N 368.462 4.057 0 40 FIAB O=C(CSc1n[nH]c(-c2cc(F)cc(F)c2)n1)c1cc(F)ccc1F 607761352 MXTJFLCJAQABRF-UHFFFAOYSA-N 367.327 4.003 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)Nc1ccccc1Cl 618255455 CTAZIXQPTBLPQF-QGZVFWFLSA-N 356.809 4.455 0 40 FIAB Cc1nc([C@@H](C)NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cs1 623585812 BMDINASPCROYSU-BXUZGUMPSA-N 365.449 4.380 0 40 FIAB COc1ccc2cc(C(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)c(C)nc2c1 655046429 LJLLTWQEDAJVGQ-SPLOXXLWSA-N 361.445 4.170 0 40 FIAB CC(C)(C)c1csc([C@@H]2CN(C(=O)c3cc4ccccc4o3)CCO2)n1 669903291 WWJOOIIWXOAWOE-INIZCTEOSA-N 370.474 4.401 0 40 FIAB COC(=O)c1ccc(Cl)c(C(=O)N2Cc3ccccc3C3(CCC3)C2)c1 1636269488 JOWUNCLOTLLIRO-UHFFFAOYSA-N 369.848 4.204 0 40 FIAB CCOC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1 649743 ZICRLXCDYDJDOT-UHFFFAOYSA-N 367.474 4.206 0 40 FIAB Cc1cc(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc12 798780 CEZWATQPKVMJIE-UHFFFAOYSA-N 351.475 4.340 0 40 FIAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(F)c(F)c4)ccc1c23 947135 IBNNQJLEGALYIV-UHFFFAOYSA-N 352.340 4.350 0 40 FIAB Cc1nc(NCCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 1454990 AACBGABXHZUTEM-UHFFFAOYSA-N 367.474 4.262 0 40 FIAB CC(C)[C@H]1Cc2c(sc3nc(-c4ccccc4)n4cnnc4c23)CO1 2223963 YKEXSMROZOCKTA-CQSZACIVSA-N 350.447 4.103 0 40 FIAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2410525 YGDMLYSMCCYEAB-ZDUSSCGKSA-N 360.417 4.111 0 40 FIAB Cc1cccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)c1 2426484 CHMXKCORTHLLKS-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1ccc(NC(=O)CCCOc2ccc(Br)cc2)cc1 2618077 UFGSRDLZGVSAFI-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB COc1ccccc1-n1cnnc1SCCCC(=O)c1ccc(F)cc1 2629165 KOGOTQRTXYZLLU-UHFFFAOYSA-N 371.437 4.170 0 40 FIAB COC(=O)c1cc(COC(=O)C2(c3cccc(F)c3)CCCC2)oc1C 2635123 KEAJAYIECCUUAG-UHFFFAOYSA-N 360.381 4.069 0 40 FIAB O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Cl)s1 2647919 RXDWTDRPUXJDPY-UHFFFAOYSA-N 356.900 4.193 0 40 FIAB in-vitro C[C@H]1[N+](c2ccccc2)=C2SCCCN2[C@]1(O)c1ccc(Cl)cc1 3208763 XHQCDOLSMDCJNE-AUUYWEPGSA-N 359.902 4.026 0 40 FIAB O=S(=O)(c1ccc(Cl)nc1)N(Cc1ccccc1)Cc1ccccc1 3317475 SYFRVJLBPHIPGZ-UHFFFAOYSA-N 372.877 4.126 0 40 FIAB Cc1c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)oc2ccccc12 3345226 LBRGEQHKEZSUBK-UHFFFAOYSA-N 363.822 4.050 0 40 FIAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1 3372699 XEOFSYVICQNMRH-OAHLLOKOSA-N 359.425 4.399 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 4410302 OJRADRUMJUVRPG-UWHLTILDSA-N 356.462 4.211 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 4927777 LPJQDZJFZLTDFO-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB Cc1nc2c(sc3nc(-c4ccco4)c4c(c32)CC(C)(C)OC4)c(=O)o1 4956291 IJVXESPFQYBYOB-UHFFFAOYSA-N 368.414 4.217 0 40 FIAB O=C(CSc1ccc(Br)cc1)Nc1ccc(F)cc1F 6225708 SLRROUPXAHMHRZ-UHFFFAOYSA-N 358.207 4.458 0 40 FIAB CC(C)c1ccc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1 6859726 CVUIRZLHDHITAO-FQEVSTJZSA-N 354.475 4.155 0 40 FIAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 6987844 UDUBWZYIRGWBJH-UHFFFAOYSA-N 364.445 4.032 0 40 FIAB O=C(OCC(=O)c1cccs1)c1ccc(CNc2ccccc2)cc1 7095722 FXHUOKFLXVLXON-UHFFFAOYSA-N 351.427 4.400 0 40 FIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc(F)cc1F 7141136 CFUKNVPLZQHNEY-BEFAXECRSA-N 357.404 4.113 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)NCCc1c[nH]c2ccccc12 7481478 JBNRITXZGKJLMF-UHFFFAOYSA-N 363.244 4.212 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(C)c2)CC1=O 7928204 TXHUKYIJWVSVEE-SFHVURJKSA-N 350.462 4.111 0 40 FIAB O=C(NC1CCCCCC1)c1cn(-c2ccccc2)nc1-c1cccnc1 8133454 FHGIWNDOQQXXDV-UHFFFAOYSA-N 360.461 4.387 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2cn3ccsc3n2)cc1 8720091 MVXNPLSLBJQSNN-GOSISDBHSA-N 369.490 4.091 0 40 FIAB CC(C)[C@@H]1C[C@](CC(=O)NCc2ccco2)(Cc2ccccc2)CCO1 9575956 IFMHOVMPUCDZOD-RBBKRZOGSA-N 355.478 4.350 0 40 FIAB Cc1[nH]c(S[C@@H](C)C(=O)N2CCC(C)CC2)nc1Cc1ccccc1 9946713 WHZUMXISHFNSAB-INIZCTEOSA-N 357.523 4.048 0 40 FIAB COc1cc(OC)c(OC)cc1CN1CCCCC[C@H]1c1cc(C)on1 12185857 ZZELSHPJBPILIR-KRWDZBQOSA-N 360.454 4.126 0 40 FIAB COc1ccccc1CCCNC(=O)c1c(-c2cccc(C)c2)noc1C 12191988 JIWQEQOBEIPPFA-UHFFFAOYSA-N 364.445 4.330 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Nc3cccc(C)c3C)c(=O)oc2c1 12977892 JKJGGMHSUIDQKF-UHFFFAOYSA-N 365.429 4.298 0 40 FIAB C[C@@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 13010491 MFEZJFKOVZHJFP-CYBMUJFWSA-N 370.453 4.007 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)CCc3ccco3)cs2)cc1 13684198 UBKYLKWTHWWRMY-AWEZNQCLSA-N 370.474 4.092 0 40 FIAB Cc1csc(NC(=O)CCn2ccc3ccc(Br)cc32)n1 13689928 QBXIDMJIDQHZKO-UHFFFAOYSA-N 364.268 4.198 0 40 FIAB O=C(Nc1ccc(F)cc1Cl)C1CCN(c2nc3ccccc3o2)CC1 14158283 AQDKBTUOYBZDEY-UHFFFAOYSA-N 373.815 4.475 0 40 FIAB CCOc1cc(C(=O)Nc2cccc(F)c2)cc(Br)c1OC 14427682 UJLBSHYZPOLXLX-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB Cc1ccc(Cn2cc(C(=O)Nc3ccc(Cl)cc3)ccc2=O)cc1 15883125 HGBXKOKBRGYEKO-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Clc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccc(Cl)c2)cc1 16399047 GPQUJGLFXSLUGF-UHFFFAOYSA-N 357.204 4.026 0 40 FIAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1-c1ccccc1 17793654 WFGGPKSZLZEAEU-UHFFFAOYSA-N 362.404 4.203 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@@H]1C=CCC1 17974486 MSWMHLZAQAOPLP-LLVKDONJSA-N 374.790 4.112 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 20029669 ILUSHJPDUWNKAK-LLVKDONJSA-N 353.340 4.214 0 40 FIAB CCc1nnc(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)o1 20034158 BYKYGYXJXGHNTM-UHFFFAOYSA-N 357.222 4.281 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c(Cl)c1 20487611 PZKMAWDNIUDVPH-LLVKDONJSA-N 365.788 4.062 0 40 FIAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(-c2cccnc2)no1 22461981 GWTYQHQAIFDXTN-MDZDMXLPSA-N 358.357 4.044 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2cccs2)c1 23434902 DGJIWBAURYJDMD-ZDUSSCGKSA-N 356.447 4.423 0 40 FIAB CC(C)[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc2c(c1)OCCO2 24082720 DSKVDEOGUDSDRW-QFIPXVFZSA-N 363.461 4.130 0 40 FIAB O[C@@H](Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 25052651 NSBRKYFWESPILU-NRFANRHFSA-N 362.404 4.488 0 40 FIAB COc1ccc(-c2nc(C(=O)OCc3cccc(F)c3)cs2)cc1OC 25841841 UBRSMRQYCICEGA-UHFFFAOYSA-N 373.405 4.323 0 40 FIAB Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)c(C)n1-c1cccnc1 30586110 FJODHMZJIYZBLC-CYBMUJFWSA-N 355.388 4.258 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1 30753616 CLRIJVRLPXQIMJ-OAHLLOKOSA-N 359.491 4.279 0 40 FIAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1csc(Br)c1 30793226 NYUFAGBKKOIVLO-MRXNPFEDSA-N 373.275 4.425 0 40 FIAB COC(=O)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 31664112 USARWIZDOAOXPT-UHFFFAOYSA-N 364.401 4.090 0 40 FIAB COc1ccc(CCC(=O)N(C)[C@@H]2CCCc3ccccc32)cc1OC 32480967 PDFSPAQPFFLELZ-LJQANCHMSA-N 353.462 4.172 0 40 FIAB C[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccc2S1 32848531 UPBLXJWIOCXUKJ-CYBMUJFWSA-N 351.427 4.324 0 40 FIAB Cc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)cc1F 32930598 GMFIWHOGNAYSEC-UHFFFAOYSA-N 350.393 4.038 0 40 FIAB OC1=NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccncc1 33808675 BRSFICHPYPIZNC-XNTDXEJSSA-N 364.455 4.263 0 40 FIAB Cc1ccccc1OCCCNC(=O)c1n[nH]c2c1C[C@H](C(C)(C)C)CC2 35316689 XFSBORMJZNOQHY-MRXNPFEDSA-N 369.509 4.068 0 40 FIAB O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@H]1c1ccccc1 36396798 AESPWXXFGILAFB-KRWDZBQOSA-N 370.246 4.199 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(OC)cc1 38756726 DQPQDTTUXLWHQP-IBGZPJMESA-N 361.869 4.255 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3cc4ccccc4o3)s2)cc1 39757851 CTTPPSMSSJHMLI-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB COc1cc([C@H](C)NC(=O)Cc2cccs2)ccc1OC1CCCC1 40121434 VJQVXCFUARPASL-AWEZNQCLSA-N 359.491 4.498 0 40 FIAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1 40267140 FYMUVKSRSNCFNL-MRXNPFEDSA-N 367.380 4.152 0 40 FIAB C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 57250986 YGPPSLGNPNFWMT-RKNYENMMSA-N 361.894 4.443 0 40 FIAB O=C(CN[C@H](c1ccccc1)c1cccs1)NCc1ccc(Cl)cc1 57270733 QLKJBJFEAURKDS-HXUWFJFHSA-N 370.905 4.397 0 40 FIAB O=C(COC(=O)c1cc(F)ccc1Cl)Nc1cc(F)ccc1Cl 72330173 LBMHDEPHXGBBAZ-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB O=C(CC1(O)CCCCC1)Nc1ccc(NC(=O)N2CCCCCC2)cc1 89788241 ZXVINDNVDNVEJX-UHFFFAOYSA-N 373.497 4.118 0 40 FIAB COc1ccc([C@H](OC)[C@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1 95458899 HAKHHJAXWAVHGW-BLLLJJGKSA-N 362.495 4.090 0 40 FIAB CC(C)CN1CCC2(CC1)C[C@H](NCc1ccccn1)c1ccccc1O2 96242837 YIHLKENHIOSMPK-NRFANRHFSA-N 365.521 4.186 0 40 FIAB Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(Cl)cc3)n2)c1 96296201 KPVXGTPODFCGFP-IBGZPJMESA-N 371.843 4.443 0 40 FIAB biogenic,in-vitro Cc1ccnc(-n2nccc2NC(=O)N[C@H](C)c2cc(C)sc2C)c1 97164594 XUQPMWNIKKFXEF-CYBMUJFWSA-N 355.467 4.137 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@H]1C(=O)Nc2ccc(F)cc21 101625648 LUDPDZGEXHFPLN-HNNXBMFYSA-N 370.405 4.061 0 40 FIAB Cc1noc(C)c1CN1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 106172017 ULJHJYNNDQQYPO-ZWKOTPCHSA-N 363.502 4.045 0 40 FIAB O=C(c1ccc(O)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 106937303 OSCKQCVENLJRRE-REWPJTCUSA-N 370.408 4.145 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)Cc1cc(C)ccc1C)CC(C)(C)O2 219276710 PYLZHXOBEGBBIO-IBGZPJMESA-N 353.462 4.273 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C)cc1 219589982 WLGGQPDGBALALS-FQEVSTJZSA-N 355.478 4.300 0 40 FIAB C[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222950915 YPUMNOBAPVGHKQ-CQSZACIVSA-N 363.910 4.399 0 40 FIAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2 223261163 CNRTWFIVEWGEJR-ZDUSSCGKSA-N 363.379 4.450 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)ccc1F 224889557 XOWOWOATHWAHGR-QZTJIDSGSA-N 352.438 4.034 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCSc2ccc(C)cc2)c1 225286710 DVNZCTFSUYCICA-UHFFFAOYSA-N 374.531 4.250 0 40 FIAB CCCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCC2)cc1)C1CC1 225672594 WDMOMCRGJGTGSV-QFIPXVFZSA-N 374.525 4.085 0 40 FIAB CCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCCC2)cc1)C1CC1 225724011 VJLSWKRLJOQDJP-JOCHJYFZSA-N 374.525 4.085 0 40 FIAB CCOc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 226361345 BVHODGABLQCMDZ-VMPITWQZSA-N 366.244 4.470 0 40 FIAB c1csc(-c2noc(-c3cncnc3N[C@@H]3CCc4ccccc43)n2)c1 244975162 IEKVUDBWZNLKRP-OAHLLOKOSA-N 361.430 4.355 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@H]2c2cc[nH]n2)o1 257324102 WNESUVVZIXZJSY-SFHVURJKSA-N 351.406 4.095 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)c1 409233697 HKFFSAHCYYXPBK-CXUHLZMHSA-N 361.228 4.395 0 40 FIAB C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCCc2occc2C1 585083922 FNPSODRHCOGLRW-OAHLLOKOSA-N 373.522 4.239 0 40 FIAB CCc1ccc(C2CCN(C(=O)c3ccc(-c4nc[nH]n4)cc3)CC2)cc1 629411655 ODGNPKCLXGJSFN-UHFFFAOYSA-N 360.461 4.054 0 40 FIAB NC(=O)c1cc(NC(=O)C2(Cc3cccs3)CCCCC2)ccc1F 643414284 TXHHPUKBGNHZTO-UHFFFAOYSA-N 360.454 4.118 0 40 FIAB COc1cccc([C@@H]2C[C@@H](O)CN2C(=O)c2coc3cc(C)c(C)cc23)c1 669740949 FCOJURHDTTWJED-UZLBHIALSA-N 365.429 4.006 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)NCc2ncc(C(C)(C)C)o2)cc1 673777669 UBNRIACJHOSGCB-LPHOPBHVSA-N 371.481 4.000 0 40 FIAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc3c(C(F)(F)F)cccc3s2)C1 1889128364 ZTDHIXPPVDMWEM-JTQLQIEISA-N 371.428 4.056 0 40 FIAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N(CCF)C(=O)OC(C)(C)C)C1 2362797592 OANJGHAOQGKIEG-UONOGXRCSA-N 360.470 4.029 0 40 FIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2c(C)nn(C)c2C)cc1 7884012 ZCWVRBIXAZWNJG-NRFANRHFSA-N 360.461 4.112 0 40 FIAB S=c1[nH]c(-c2cccs2)nn1CN1CCC[C@H]1Cc1ccccc1 45800246 PFTXKNVSEWWNJI-HNNXBMFYSA-N 356.520 4.334 0 40 FIAB OC1=Nc2n[nH]cc2[C@H](c2ccc(OCc3ccccc3)cc2)SC1 20716230 XZUGDFNNNGPPGE-SFHVURJKSA-N 351.431 4.413 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)o2)cc1Cl 872556 QEASFCIMCNCXJZ-UHFFFAOYSA-N 365.867 4.491 0 40 FIAB CN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)C1CC1 60372686 VZYMHFPLRAYJST-UHFFFAOYSA-N 350.249 4.291 0 40 FIAB O=C(CSc1nc(C2CCCCC2)nc2ccccc12)N1CCCC1 1376436 MUJJZYKYLPRXSX-UHFFFAOYSA-N 355.507 4.392 0 40 FIAB Cc1cccc2c(I)cn(C(=O)OC(C)(C)C)c12 2563799 OZWWYVSTSSJXNY-UHFFFAOYSA-N 357.191 4.338 0 40 FIAB CCc1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1 21148735 WQDNONMPDTWXGE-NRFANRHFSA-N 372.553 4.275 0 40 FIAB COc1cccc(C2=C[C@H](c3ccco3)N(C(=O)c3cccs3)N2)c1 2696910 WXIJWEZXWOUJIE-MRXNPFEDSA-N 352.415 4.093 0 40 FIAB CCN(CC)C(=O)[C@@H](OC(=O)c1cc2ccccc2o1)c1ccccc1 7087978 GJRMOUACOOTBOI-IBGZPJMESA-N 351.402 4.199 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)s1 7397707 UWKBCELHXMWNPG-LLVKDONJSA-N 365.524 4.354 0 40 FIAB Cc1nn([C@H](C)CC(=O)n2nc(C)c(Br)c2C)c(C)c1Cl 8714503 INRBWYIDRAMUKJ-SSDOTTSWSA-N 373.682 4.021 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1 645655 NYBDTHIQZSLAIF-ZDUSSCGKSA-N 371.458 4.367 0 40 FIAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(Cl)c3C)n2)cc1 12111623 RHEFJTGAUPXDMM-UHFFFAOYSA-N 367.836 4.009 0 40 FIAB Cc1cc(-c2cc(C(=O)N3CCCC3)c3cnn(C(C)C)c3n2)c(C)o1 54562975 VTMINLKSTVWLER-UHFFFAOYSA-N 352.438 4.125 0 40 FIAB CN(C)C(=O)c1cccc(NCC(=O)Nc2ccccc2-c2ccccc2)c1 23902259 SUBTWIFZLHVZQF-UHFFFAOYSA-N 373.456 4.106 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N2CCOC2=O)cc1 42847473 ZGHVKXBILAJDHE-UHFFFAOYSA-N 364.854 4.020 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2CCCCC2)cc1 3091965 OVBSGFRYGUNCAM-UHFFFAOYSA-N 372.446 4.066 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 20105789 MGPIAZQYJFFRAE-UHFFFAOYSA-N 350.462 4.373 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(F)cc1F 24928999 FVUHBMLIAMXHQA-UHFFFAOYSA-N 358.369 4.276 0 40 FIAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(N)=O)cc1 56343399 YKYGDFKHFMXXQO-UHFFFAOYSA-N 361.401 4.105 0 40 FIAB Cc1cc2oc(=O)cc(CN(C)CCOc3ccccc3)c2cc1Cl 57628698 DIHULFNNPRLKOV-UHFFFAOYSA-N 357.837 4.266 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)s1 58312403 RPCUETFIUDNGFJ-UHFFFAOYSA-N 369.450 4.043 0 40 FIAB COc1ccc(-c2nnc(SCCOc3ccccc3C(C)=O)o2)cc1 3347931 JJXSWWXIMWUBRG-UHFFFAOYSA-N 370.430 4.119 0 40 FIAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O 2425806 ZBBPLHRCHPBVOH-MRXNPFEDSA-N 351.450 4.072 0 40 FIAB c1ccc2c(c1)OC1(CCN(CC3CC3)CC1)c1c-2ncn1CC1CCC1 306141659 WDEVMTQXIRMTTD-UHFFFAOYSA-N 363.505 4.444 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1c(C)cccc1C)O[C@H](C)C2 12803749 SPZJUNCQFUGLLL-OAHLLOKOSA-N 355.434 4.043 0 40 FIAB CSc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 12825096 OPBDMFNKKLGSSB-OAHLLOKOSA-N 354.475 4.017 0 40 FIAB COc1cc(-c2nc(Cc3ccccc3Cl)no2)cc(OC)c1OC 3583530 FKRPSSAYNWDTIM-UHFFFAOYSA-N 360.797 4.007 0 40 FIAB CC(C)CC(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 408627695 NDIPMSHTIJAWDV-UHFFFAOYSA-N 367.474 4.032 0 40 FIAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)N=C3SCC(=O)N32)cc1 6230577 XUBNQCDCVCWJOD-QGZVFWFLSA-N 370.861 4.376 0 40 FIAB Clc1nc2ccccc2cc1CSc1nnnn1-c1ccccc1 5262377 DKIVKVRKXZCTBF-UHFFFAOYSA-N 353.838 4.156 0 40 FIAB OCCCc1nc2ccccc2n1C[C@H](O)c1cc(Cl)ccc1Cl 65474429 DAMZVJKBAWWXIT-KRWDZBQOSA-N 365.260 4.002 0 40 FIAB COCCNC(=S)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408572794 IMFIVXWLVMPCOD-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OC/C=C/c1ccccc1 6465472 CHRGJQJPNSMFQK-RMKNXTFCSA-N 360.335 4.312 0 40 FIAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(SC)cc2)N3)C1 4556402 RMRYXTQFYUFNMC-INIZCTEOSA-N 359.520 4.277 0 40 FIAB CCOc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1OC 4676240 DFNKCBKVJSQMBA-UHFFFAOYSA-N 354.494 4.033 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)CCNC(=O)c1ccccc1 14663660 QOUDETZAXIKMAF-UHFFFAOYSA-N 358.869 4.223 0 40 FIAB Cc1nc(COc2ccccc2C(=O)Nc2cc(Cl)ccc2F)no1 14706664 IHSDZSCKVHJAEA-UHFFFAOYSA-N 361.760 4.002 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(C)cc1 4816667 WRIPGDPXSJINSC-OALUTQOASA-N 366.852 4.327 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)Cc1c(F)cccc1Cl 7107855 MSVWXSAKZXWBCU-UHFFFAOYSA-N 359.784 4.237 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1c[nH]c2ccccc12 7278482 HBRZUWSXDYMFNT-UHFFFAOYSA-N 371.444 4.405 0 40 FIAB O=C(c1ccccc1COc1ccccc1)N1CCN(c2ccccc2)CC1 7609238 BBVUEERVTNSLSB-UHFFFAOYSA-N 372.468 4.228 0 40 FIAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)c(Cl)c1 7757020 BGTFUZFROBKOTQ-UHFFFAOYSA-N 350.796 4.221 0 40 FIAB Cc1cc(C)n(CCCNCc2ccc(OCc3csc(C)n3)cc2)n1 7736188 XHWHYUZITLXBAF-UHFFFAOYSA-N 370.522 4.024 0 40 FIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(OC(F)F)cc3)oc2c1C 8915760 OGAKRXRXGQYICK-UHFFFAOYSA-N 359.328 4.264 0 40 FIAB C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1csc(C2CC2)n1 87356111 JUNZPDSDAQDGBH-JTQLQIEISA-N 356.426 4.041 0 40 FIAB COCCn1nc(C)c(NC(=O)c2oc3c(Cl)cccc3c2C)c1C 79657871 IHBLTLLFQRYURK-UHFFFAOYSA-N 361.829 4.107 0 40 FIAB COc1ccccc1[C@H](C)Nc1ncnc2c1cnn2-c1ccc(F)cc1 9456473 MZZDJRYXFUWLLA-ZDUSSCGKSA-N 363.396 4.136 0 40 FIAB COC(=O)Nc1ccc(OC(=O)c2cccc3c4c([nH]c23)CCCC4)cc1 71810951 ZTZAUCJBVKQEPC-UHFFFAOYSA-N 364.401 4.444 0 40 FIAB CCOc1cccc(CNC[C@@H](c2cccc(OC)c2)N2CCCC2)c1 71947027 BXGPSOXYWYFOGW-QFIPXVFZSA-N 354.494 4.021 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)NCc1cccc(Br)c1)n2C 9614587 URIWGGBAYVSZHS-UHFFFAOYSA-N 357.251 4.179 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccnn3C(C)C)cc12 22289673 KLZTWZVNLMMHCP-UHFFFAOYSA-N 365.462 4.425 0 40 FIAB COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cc(C)c(F)cc2Cl)cc1 95940153 FFINLHXWEDYPSX-LBPRGKRZSA-N 363.816 4.391 0 40 FIAB CCCCOc1ccc(C(=O)[C@@H](c2ccccc2)N2CCOCC2)cc1 26532584 FULZWZOFHZARCQ-OAQYLSRUSA-N 353.462 4.122 0 40 FIAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)c1 36635487 OUJAWETXOVUTLV-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 409103454 HBTGSWMOITWRPP-UHFFFAOYSA-N 370.453 4.008 0 40 FIAB COc1ccc(NC(=S)Nc2cc(Cl)c(OC)cc2OC)cc1F 71325922 OOCLMMUNANELMY-UHFFFAOYSA-N 370.833 4.314 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 219606224 FBFBOQORWORJAS-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB Cc1cccnc1Nc1cncc([C@H]2CCCN2C(=O)C2CCCCC2)n1 72376272 SBAQGLHBWJYOLB-GOSISDBHSA-N 365.481 4.167 0 40 FIAB O=C(Nc1cccc(Br)c1)c1cnc(-c2cccc(F)c2)nc1 222621657 CKPVOYAENFTGSL-UHFFFAOYSA-N 372.197 4.298 0 40 FIAB CCc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OC 223683753 LRRQIVKTJLFEJJ-UHFFFAOYSA-N 359.369 4.077 0 40 FIAB O=C(CSCc1ccccc1Cl)NCc1ccc(-n2ccnc2)cc1 44900740 DMPHPCPHKBFIIL-UHFFFAOYSA-N 371.893 4.075 0 40 FIAB COc1ccc(CCNC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 44031757 NUPABTPYYNXKFM-UHFFFAOYSA-N 369.465 4.044 0 40 FIAB Cc1cc(C)nc(Nc2ccc(C(=O)N(C)Cc3ccccc3F)cc2)n1 225912447 HXOJFVRIXSGCOZ-UHFFFAOYSA-N 364.424 4.248 0 40 FIAB COc1ccc(CN(C)C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 40033460 DCTGESCUEHHQLO-UHFFFAOYSA-N 368.408 4.081 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(=O)OC 225675173 VCDLCEUFFOPPRB-UHFFFAOYSA-N 367.445 4.322 0 40 FIAB Cc1ccc2sc(C(=O)N3CCC[C@@](O)(C(F)(F)F)CC3)c(C)c2c1 585082418 QDZBIXNWZSYHPV-KRWDZBQOSA-N 371.424 4.438 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](Cc3cccnc3)C2)o1 257283194 OXDSGPGVHCDXLL-QGZVFWFLSA-N 362.429 4.104 0 40 FIAB CC(C)CCN1Cc2cccc(NC(=O)c3c(C4CCC4)cnn3C)c2C1 622795302 JMVFJRHAUZHHET-UHFFFAOYSA-N 366.509 4.302 0 40 FIAB O=C(C[C@@H]1C=CCC1)N1CCC(c2cccc(Nc3nccs3)n2)CC1 585262684 SIBQBEWSAPKKRM-OAHLLOKOSA-N 368.506 4.344 0 40 FIAB CC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)CC(C)C 19712875 SISNBDVROLFLLK-VSKRKVRLSA-N 370.537 4.036 0 40 FIAB CCC(F)(F)C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037989066 TYKVGXZBISHECU-CJNGLKHVSA-N 354.416 4.077 0 40 FIAB COc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c1 1439599 HXVWIBODSFOSOQ-UHFFFAOYSA-N 353.447 4.018 0 40 FIAB Cc1cccc(NC(=O)c2cc3cc4c5c(c3oc2=N)CCCN5CCC4)c1 4193221 DXRWQJFQUPCIOT-UHFFFAOYSA-N 373.456 4.172 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(F)cc2)cc1 4585426 UFLBYFMKQHUJNU-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB O=C(CSc1ccc(F)cc1)N1CCS[C@H](c2ccco2)CC1 207009698 MNUAOVCPQXKCDF-INIZCTEOSA-N 351.468 4.218 0 40 FIAB CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2ccoc2)cc1 575621485 YLKDOOVPLHDRCW-UHFFFAOYSA-N 367.474 4.096 0 40 FIAB Cc1cccc(Cn2nc(-c3cccc(Br)c3)ccc2=O)c1 10220800 FNMSDXWREVQXLT-UHFFFAOYSA-N 355.235 4.030 0 40 FIAB COc1ccc(OC)c(CN[C@@H](Cc2ccsc2)c2nccs2)c1 19551711 CNXQLFFLZJWZPT-INIZCTEOSA-N 360.504 4.295 0 40 FIAB O=C(NC[C@]1(O)CCc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 75155714 CLVZOVNZCWFCGQ-JOCHJYFZSA-N 369.892 4.102 0 40 FIAB CSc1ccc(CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)cc1 40024798 LHUZNDWKZFTKFW-UHFFFAOYSA-N 354.519 4.277 0 40 FIAB Cc1ccc([C@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)cc1 40158764 SODWBPXTPWJFSV-LJQANCHMSA-N 366.442 4.128 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 888542 YEMIQVOELYAHPH-UHFFFAOYSA-N 371.487 4.242 0 40 FIAB C[C@@H]1CCc2c(nc3ncnn3c2NCc2ccc(Cl)cc2Cl)C1 1351062 CHDMWOCDKWPCRO-SNVBAGLBSA-N 362.264 4.168 0 40 FIAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1cccnc1 1398293 CMUNPOZSXKDKCO-UHFFFAOYSA-N 359.256 4.498 0 40 FIAB CCCCCCOC(=O)c1ccccc1OP(=O)(N(C)C)N(C)C 1577793 FVANFQKWTOFHRN-UHFFFAOYSA-N 356.403 4.034 0 40 FIAB CCCOC(=O)c1c(NC(=O)C(F)(F)C(F)F)sc2c1CCCC2 2067101 ZUHOTTBZMRCCBU-UHFFFAOYSA-N 367.364 4.033 0 40 FIAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(Cl)cc1Cl 2687390 VIMPNQBLOMBOIZ-UHFFFAOYSA-N 360.653 4.169 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)NC3CCCCC3)s2)cc1 3234933 UTJWARGWSAUQDJ-UHFFFAOYSA-N 362.524 4.131 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c1C 3241297 JPQHVFOUBFCJSF-HUUCEWRRSA-N 368.477 4.052 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 3325621 BCVOOEILDGVKRT-UHFFFAOYSA-N 364.376 4.339 0 40 FIAB COc1cc(CN(C)C(=S)Nc2ccccc2)ccc1OC(F)F 3330984 APCTZYLLADWWFH-UHFFFAOYSA-N 352.406 4.125 0 40 FIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(OC(F)(F)F)cc1 3346358 QZBATQHBKXYQES-UHFFFAOYSA-N 363.291 4.106 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2C)n1C 4129824 VBXLNDZLEYDMMS-HNNXBMFYSA-N 366.490 4.218 0 40 FIAB CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 4193270 HUYXAHUDFQOSLP-UHFFFAOYSA-N 373.449 4.082 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 4487580 HAAXRUJACLALKT-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB COc1cccc2cc(-c3nnc(Nc4cccc(C)c4)s3)c(=O)oc12 4550208 UAJVIQTWXLNNKG-UHFFFAOYSA-N 365.414 4.372 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2C)cc1 4614489 HBMLEGDRUKRITM-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CCSCc1nnc2c3ccccc3c(-c3ccc(OC)cc3)nn12 5321798 MKMZRMLQWAYPMR-UHFFFAOYSA-N 350.447 4.206 0 40 FIAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC 5429892 WAIYQPYRRDRPDM-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@@]12Cc1ccc(C)c(C)c1C2=O 5539669 RKEMEWKNLCHNAP-JTSKRJEESA-N 362.429 4.126 0 40 FIAB COC(=O)c1cn([C@H](C)C(=O)Nc2cccc(C)c2C)c2ccccc12 6967935 QUGFUTRUZBEXEC-OAHLLOKOSA-N 350.418 4.244 0 40 FIAB Cc1cccc(-n2ccnc2S[C@@H](C(=O)N(C)C)c2ccccc2)c1C 7123145 CVKCUHFDZVAUNZ-LJQANCHMSA-N 365.502 4.411 0 40 FIAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1OC 7266567 GNEAFCZSRLUIKR-MRXNPFEDSA-N 370.493 4.286 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)/C=C/c1ccccc1 7689250 FNZPHRUWVCHSHP-FNDVETGQSA-N 358.488 4.290 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccn1 7737087 JTNSRLZMUMOBQP-VFNWGFHPSA-N 372.424 4.027 0 40 FIAB Cc1cc(C(=O)CCC(=O)OCc2cc(-c3ccco3)on2)c(C)s1 7773110 MROQTWBPPUVPMC-UHFFFAOYSA-N 359.403 4.319 0 40 FIAB COc1ccc(CN(C)C(=O)/C=C/c2ccc3ccccc3n2)cc1F 7777758 BLBXVIAVRCBSRA-ZRDIBKRKSA-N 350.393 4.054 0 40 FIAB Cc1ccc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 7975421 HJSXKJWZSFLRNE-UHFFFAOYSA-N 360.763 4.331 0 40 FIAB COc1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1 8541268 SUTFQVQWLPIMAR-UHFFFAOYSA-N 356.432 4.042 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@@H](O)C[C@@]1(CCC[C@@H](C)C1)O2 8879248 QUENKKPOINSKLX-OCKUYBSPSA-N 354.446 4.355 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)N(Cc1ccccc1)Cc1ccco1 9388462 YLPKPCGNJVAFSU-UHFFFAOYSA-N 361.441 4.376 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2F)o1 9516308 HFSMECSMQTWRKL-KRWDZBQOSA-N 368.408 4.246 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 9689941 JLKHIMCUDWYNEF-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 10335871 LKXMOJDQVWJBDV-UHFFFAOYSA-N 362.429 4.089 0 40 FIAB CSc1nnc(-c2ccccc2NC(=O)/C=C/c2cccc(F)c2)o1 10434367 AFQDSKNYUWHSME-MDZDMXLPSA-N 355.394 4.250 0 40 FIAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(Cl)cc1Cl 10900201 IGJAOTCINIIGGA-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB Cc1c(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)[nH]c2ccccc12 12119271 GNGYREXTQSBRFC-MRXNPFEDSA-N 361.445 4.221 0 40 FIAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1F 12397215 CJIQMUGBZKUKEL-UHFFFAOYSA-N 361.376 4.322 0 40 FIAB CCCc1cc(-c2n[nH]c(C)c2-c2ccc(C(=O)OCC)o2)c(O)cc1O 12468782 PECCUTMWEWKWFZ-UHFFFAOYSA-N 370.405 4.186 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccsc1 12484287 RUJQLPCBYWQMDZ-UHFFFAOYSA-N 357.262 4.156 0 40 FIAB Cc1c(Cl)cccc1NC(=S)N[C@H](C)c1nnc2n1CCCCC2 12732519 XDQHRPBLHKTVJU-GFCCVEGCSA-N 363.918 4.014 0 40 FIAB O=C(C[C@H](C(=O)O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl 12736384 NQCIBCWVBIPOIK-NSHDSACASA-N 356.180 4.330 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1 12947058 QBRYQQBCRNHUKO-NVXWUHKLSA-N 354.450 4.284 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)Cn1c(=O)oc2ccccc21 14014965 USZBUBXPZOAZOY-UHFFFAOYSA-N 358.825 4.011 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 14263681 YJCZKUSNGDWUJY-UHFFFAOYSA-N 355.300 4.322 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccc(Cl)cc1Cl 14559613 LIALOGSUWFSBQK-UHFFFAOYSA-N 363.244 4.482 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1csc(-c2ccccc2)n1 15832405 OPZRXTFYVRNMNR-GOSISDBHSA-N 370.449 4.423 0 40 FIAB C[C@H](c1cccs1)N(C)Cc1cc2c(cc1Br)OCCO2 16434804 JYUQJMXGXINOAL-LLVKDONJSA-N 368.296 4.475 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 20450254 CDRCWPVMOZNDHA-AWEZNQCLSA-N 371.893 4.323 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1C 20492517 HFEQFMRHTVGCQV-IBGZPJMESA-N 368.477 4.239 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 20493798 JGSBEDUDXYHZBX-UHFFFAOYSA-N 371.380 4.453 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3Cl)n2)cc1 21168683 YENCGYUPRXSLLU-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB O=C(NCc1cccs1)NC[C@@H](c1ccsc1)N1CCCCCC1 22679620 OMTKGQXDEBXTJR-KRWDZBQOSA-N 363.552 4.226 0 40 FIAB CCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)o1 24844399 LPNXHNFNCKHUFO-UHFFFAOYSA-N 357.328 4.138 0 40 FIAB COc1ccccc1N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 25702150 OXCXJXUUOGRBCM-HNNXBMFYSA-N 353.491 4.188 0 40 FIAB Cc1cc2occ(CC(=O)Nc3ccc(N4CCCC4=O)cc3)c2cc1C 26908229 SOOHYOPZQSJSCC-UHFFFAOYSA-N 362.429 4.358 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)c1C 28183358 ZPAFLIMEAVCOQO-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(C(C)(C)C)o2)C[C@H]1C(C)C 30883565 KFNXYPNRUINEOY-BZSNNMDCSA-N 363.546 4.000 0 40 FIAB biogenic,in-vitro COc1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c(OC)cc1Cl 31692610 UGAZZMYVHJNBTH-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB CCc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)s1 32931001 XELZCNVETUQORS-UHFFFAOYSA-N 352.459 4.215 0 40 FIAB O=C(O)c1c(C(F)(F)F)nn(-c2ccc(Br)cc2)c1Cl 37326955 YHCQSKLBUCOCPL-UHFFFAOYSA-N 369.524 4.005 0 40 FIAB O=C(NCC1(c2ccccc2)CCC1)c1cc2c(nc3sccn32)s1 40033928 SBMLXOLSUOIRAV-UHFFFAOYSA-N 367.499 4.462 0 40 FIAB COc1cccc(NC(=O)CCSc2ncnc3sc(C)c(C)c23)c1 40267562 BJNDUKBQZOLBLI-UHFFFAOYSA-N 373.503 4.438 0 40 FIAB O=C(Cn1ccc2c(Br)cccc21)Nc1cccnc1Cl 40285911 QAVIVPKTDOAXHI-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COCC(c1ccccc1)c1ccccc1 40373066 IDMDYWOMAWKGAQ-JTAQYXEDSA-N 367.533 4.459 0 40 FIAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(F)c1 41077023 RKJQGVLJIHDJDL-UHFFFAOYSA-N 353.397 4.110 0 40 FIAB CCc1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2)cc1 41303108 FJUPWCKBJFMJAN-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1F 52710479 AUVDOYHXLWKCSV-VXGBXAGGSA-N 350.821 4.166 0 40 FIAB Cc1ccc(C)c(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c1 54254175 BLMQKWGEBKYELE-RMKNXTFCSA-N 365.546 4.331 0 40 FIAB Cc1cc(C)n(-c2nc3c(OC(F)F)cc(Br)cc3s2)n1 57328257 BEESDFMOEVQPKO-UHFFFAOYSA-N 374.210 4.463 0 40 FIAB Cc1ccc([C@H](C)NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 67061087 HPHDPKXEJPARJC-LIRRHRJNSA-N 360.404 4.117 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1C 73974909 HJDNROAAUSBGLO-UHFFFAOYSA-N 362.433 4.008 0 40 FIAB CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1sc2ccccc2c1Cl 75107399 CMTDHEGPRQCOQX-YSALQEOHSA-N 369.939 4.364 0 40 FIAB CO[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1C 96105020 CZYFWWQVEZEDND-MRXNPFEDSA-N 353.340 4.011 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 96783027 GOKWPAKVOPWSSI-GOSISDBHSA-N 372.852 4.388 0 40 FIAB Cc1nc(COc2ccc(/C=C3/N=C(C(C)(C)C)OC3=O)cc2)cs1 96939665 DDHCMTXONJPDSR-CXUHLZMHSA-N 356.447 4.373 0 40 FIAB COc1ccc([C@H]2CCCCN(C(=O)c3ccc4nccnc4c3)C2)cc1 206885001 HAEUKGRVTPIYQG-SFHVURJKSA-N 361.445 4.048 0 40 FIAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)cc1C 222754956 CELJXBHEEAHDKN-WOJBJXKFSA-N 362.502 4.091 0 40 FIAB Cc1nc(NC(=S)NCc2ccccc2Cl)ccc1Br 223932782 XTDIIPVJDAQGCL-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(C)c(Cl)c1 227146823 MMCHSBXDBRIAHF-UHFFFAOYSA-N 369.646 4.254 0 40 FIAB CC[C@@H](C(=O)N1CC[C@H](Oc2cccc3cccnc23)C1)c1ccccc1 244975071 IALABEHBFKFDSI-VQTJNVASSA-N 360.457 4.408 0 40 FIAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)c1 257203204 APBBCFSAZHGXQT-XDACAXMVSA-N 371.521 4.350 0 40 FIAB COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(C(C)C)C3=O)c2c1 409019119 YPKOPLUDIHAGBW-LICLKQGHSA-N 357.431 4.302 0 40 FIAB COc1ccc(/C=C/C(=O)NCCSCc2ccccc2C)cc1OC 409026370 NCLPIPUSUYCMLJ-PKNBQFBNSA-N 371.502 4.075 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c1 409093614 ATGXMBMWTGNQQX-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB O=C(Nc1ccc(Cn2cccn2)cc1)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 528945581 RIHHCKXKWFEJME-IRXDYDNUSA-N 372.419 4.116 0 40 FIAB Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H](CO)c2cccc(Cl)c2F)c1 541918907 OJWBIQZUYMBWJC-GUYCJALGSA-N 364.848 4.190 0 40 FIAB CC[C@@H](C)N(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 575421030 MAFLQVRDBZMBBE-XLIONFOSSA-N 357.519 4.064 0 40 FIAB COc1ncc([C@H](C)NC2CCN(c3cccc(F)c3)CC2)cc1Cl 585081427 GGSDZDBSXQQWAN-ZDUSSCGKSA-N 363.864 4.202 0 40 FIAB Cc1nc(-c2noc(C3(c4cccc(OC(F)(F)F)c4)CCC3)n2)co1 656017673 CFMWQQOHZKMNQF-UHFFFAOYSA-N 365.311 4.402 0 40 FIAB Cc1cnc([C@@H](C)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)o1 678462605 JAQSUAAHTGHJCP-UKRRQHHQSA-N 356.401 4.113 0 40 FIAB CCc1cc(NC(=O)c2cccc(CNc3ccncn3)c2)ccc1F 1635051158 BRJXXDQJZZTCRF-UHFFFAOYSA-N 350.397 4.043 0 40 FIAB Cc1csc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)n1 2037988765 HPIBPDLIOIGZQV-QAPCUYQASA-N 359.514 4.470 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 1934551 KFSCXTTVCDKGDD-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 2633727 RBDNORDFRLQHHE-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB Cc1cc(Cl)cc(C)c1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 11974349 NLWSTMDRJLJLQP-UHFFFAOYSA-N 368.864 4.402 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 8217032 IGYDWLOIBBJWKS-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB O=C(NCc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 8476490 LACSCWNLBNKAGR-UHFFFAOYSA-N 372.403 4.003 0 40 FIAB Cc1nn(C)c(C)c1CCNc1ncnc2scc(-c3ccccc3)c12 84012216 KPMKPBBZKLVHRR-UHFFFAOYSA-N 363.490 4.363 0 40 FIAB Cc1cnc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)s1 32914360 QIMNQEPWOCUAST-UHFFFAOYSA-N 364.268 4.185 0 40 FIAB Cc1ccc(Cn2nc(C)c3c(C(=O)O)c(Cl)c(C4CC4)nc32)cc1 12396221 DBFJNUXYQPBHCG-UHFFFAOYSA-N 355.825 4.325 0 40 FIAB CCOC(=O)[C@@H]1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1 2921792 YGVQCKTZKDKOLY-OAHLLOKOSA-N 367.474 4.138 0 40 FIAB COc1ccc(CN2C(=O)/C(=C/c3ccco3)c3ccccc3C2=O)cc1 34887526 IELZPJZFZIKDAT-DEDYPNTBSA-N 359.381 4.011 0 40 FIAB COc1cccc(-c2nc(CNCCc3cc(C)ccc3OC)cs2)c1 25638992 IZUAEUGTPOSVOQ-UHFFFAOYSA-N 368.502 4.468 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(SC)cc2)cc1C 20029933 GMBHWKYVJKMHPZ-CQSZACIVSA-N 365.520 4.155 0 40 FIAB C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(C(F)(F)F)cc1 29239821 HBMFQYJYZCGMMN-VIFPVBQESA-N 373.172 4.354 0 40 FIAB COc1ccc(-c2cc(COc3c(OC)cc(C)cc3OC)on2)cc1 29373074 GOJVLAWXDIDPHO-UHFFFAOYSA-N 355.390 4.255 0 40 FIAB Cc1cc(NC(=O)NCCc2ccc(Cl)cc2)n(-c2ccccc2)n1 58223156 FLZLOAUCGZQNKK-UHFFFAOYSA-N 354.841 4.198 0 40 FIAB CC(C)C(=O)Nc1c(-c2ccccc2Cl)c(=O)c2ccccc2n1C 2197707 WGUUOEYGURFUST-UHFFFAOYSA-N 354.837 4.453 0 40 FIAB Cn1ncc2c(C(=O)N3CCCC[C@H]3c3ccccc3)cc(C3CC3)nc21 36616294 RRPAUNQBUWMKPK-FQEVSTJZSA-N 360.461 4.213 0 40 FIAB Cc1nc(SCC(=O)Nc2cccc(O)c2)c2oc3ccccc3c2n1 2414350 LXENSLSVIZAAHJ-UHFFFAOYSA-N 365.414 4.121 0 40 FIAB Cc1occc1-c1nnc(SCc2cc(Cl)c3c(c2)OCO3)n1C 12724073 KJJRWEFPKVCKCQ-UHFFFAOYSA-N 363.826 4.058 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2F)cc1OC 12996512 CTOIAFRWXFPVQV-MRXNPFEDSA-N 363.816 4.474 0 40 FIAB Cc1ccc2nc(-c3cccnc3)c(Nc3ccc4c(c3)OCCO4)n2c1 3911517 UVAGZGFRAQPHPD-UHFFFAOYSA-N 358.401 4.220 0 40 FIAB COc1ccc2c(c1)CN(C(=S)Nc1cccc(C(F)(F)F)c1)CC2 63909413 JQOYRKBYAUJXJM-UHFFFAOYSA-N 366.408 4.469 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1F 6084991 RAIWOUOMROHCBB-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB c1ccc2c(-c3nnc(SCc4ccc5c(c4)OCO5)o3)c[nH]c2c1 6028914 AEIQAZJPXYULGX-UHFFFAOYSA-N 351.387 4.239 0 40 FIAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 408710408 OGJILRHTBXTXDX-UHFFFAOYSA-N 374.887 4.350 0 40 FIAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(Cl)cc4)no3)o2)cc1F 65185426 PUSOWKRHPNYHDY-UHFFFAOYSA-N 370.771 4.478 0 40 FIAB CN(C)C(=O)c1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1 6831946 JDCVBEKHHZBBDP-UHFFFAOYSA-N 352.463 4.016 0 40 FIAB O=C(CSc1ccc2ccccc2c1)N1CCN(c2ccccc2)CC1 6831632 JEIWGYKGURWBEI-UHFFFAOYSA-N 362.498 4.281 0 40 FIAB O=C(O)c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 7343549 FXAZVXWWBZROLL-UHFFFAOYSA-N 357.369 4.180 0 40 FIAB Cc1cccc(-n2nnnc2SCc2ccc(Br)cc2)c1 7871726 HMHCPJSPQLWQPB-UHFFFAOYSA-N 361.268 4.026 0 40 FIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(F)cc1 16284437 VJRGWJYABXKGCC-UHFFFAOYSA-N 364.355 4.259 0 40 FIAB CCSc1nnc(NC(=O)CCSc2ccc(F)c(F)c2)s1 7920721 GPPGCFVZTKHGFG-UHFFFAOYSA-N 361.464 4.049 0 40 FIAB C[C@H](NC(=O)Cc1noc2ccccc12)c1ccc(Br)cc1 8054415 ZSGQINNZTCCGGS-NSHDSACASA-N 359.223 4.010 0 40 FIAB Cc1cccc(COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 409226114 SEHVRYYYMWYUCJ-UHFFFAOYSA-N 371.392 4.153 0 40 FIAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(F)cc1 9817427 UQQNNXUYWOSPFQ-UHFFFAOYSA-N 368.385 4.486 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)c1ccccc1 9479829 DWVFHNNJSTWAEP-LBPRGKRZSA-N 357.866 4.499 0 40 FIAB O=C(NCC1(O)CCCCCC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 72290231 GXNBJEDHLYEBQX-GJZGRUSLSA-N 355.400 4.010 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2-c2cn[nH]c2)c1 97162321 BEQVPAKQCITCCI-HXUWFJFHSA-N 362.433 4.454 0 40 FIAB CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 97112084 UWSWSPFTXYZBJW-WIYYLYMNSA-N 364.420 4.366 0 40 FIAB CC(C)N(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)cc1 95396459 WXNKBJPVPSVNKL-WOJBJXKFSA-N 372.459 4.225 0 40 FIAB Cc1ccc(NC(=O)CSCc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 33063682 YAIUFEDFFSTXDM-UHFFFAOYSA-N 366.486 4.325 0 40 FIAB O=C(CC1(Cn2cccc2)CCCCC1)NCc1nc2ccccc2[nH]1 524735129 XRQOEZORHMRIGX-UHFFFAOYSA-N 350.466 4.021 0 40 FIAB C[C@@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)NC(C)(C)C 37124420 PZGJHFTZBBNDHS-CYBMUJFWSA-N 361.463 4.032 0 40 FIAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72349086 LWTVQGYOCXQBHR-SFHVURJKSA-N 373.456 4.172 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 30853592 HTPKQAGKYQSFRT-HRAATJIYSA-N 371.477 4.375 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1cc2ccccc2[nH]1 675008242 LEABDMMSIJGSNS-MRXNPFEDSA-N 368.483 4.421 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 214328545 BTLVCSGJZVFRDG-LICLKQGHSA-N 373.405 4.079 0 40 FIAB CSc1ncc2cc(-c3c(Cl)cccc3Cl)c(=N)n(C)c2n1 44136203 DTGQGHKWGPQNFT-UHFFFAOYSA-N 351.262 4.143 0 40 FIAB in-vitro CCc1ccc(CC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 224537557 XEFLEIVJBKVTGG-UHFFFAOYSA-N 350.506 4.094 0 40 FIAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 41890226 IYZIKSFXLDANNC-UHFFFAOYSA-N 356.491 4.005 0 40 FIAB O=C(Cn1nc(-c2cccs2)ccc1=O)c1ccc(Cl)cc1Cl 44893296 DMTYGGNFHPWYSC-UHFFFAOYSA-N 365.241 4.162 0 40 FIAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1nc(-c2cccs2)cs1 40024640 QOFTUWWGCJFFRR-GQCTYLIASA-N 354.456 4.458 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1c(C)nn(-c3ccc(F)cc3)c1C)SCC(O)=N2 44900658 GMUPJMGPRGVMFM-QGZVFWFLSA-N 371.441 4.084 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 222795022 RABUOTXTNNMQJC-UXHICEINSA-N 362.502 4.173 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(Cl)cc3)n2)cc1 225815962 ZJJWDFDJQMJBCH-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB Cc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc(Br)cc1 224731219 XIOCLMJVPVKWFE-UHFFFAOYSA-N 374.687 4.236 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 231425208 MMJJSEJKPCNVLX-IUODEOHRSA-N 359.919 4.294 0 40 FIAB COc1cccc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)c1 96183633 PYJHTAHPSQTOIL-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)c2ccc(F)cc2)nc1 257255949 KJMULOKKLYDQRD-LJQANCHMSA-N 365.408 4.470 0 40 FIAB O=C(c1cnco1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257233335 GOVYUUDZXNVDCV-INIZCTEOSA-N 371.824 4.274 0 40 FIAB Cc1cc(OS(=O)(=O)c2ccc(Br)cc2)ccc1Cl 1621593169 BXWUSDLRQCUFCI-UHFFFAOYSA-N 361.644 4.179 0 40 FIAB COCc1cc(Cl)ccc1NC(=O)N1CCOc2cc(F)ccc2C1 626593217 NWZNXHXUCCWFNI-UHFFFAOYSA-N 364.804 4.052 0 40 FIAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCC(c2ccccc2)CC1 61386160 RKOGRYBIUDBDKY-UHFFFAOYSA-N 350.466 4.093 0 40 FIAB Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccccc2)c1 13008700 KUODFVSGKMVKFS-UHFFFAOYSA-N 360.413 4.156 0 40 FIAB Cc1cccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)c1 13632438 VMYPQFHTNWVRBG-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB O=C1[C@H]2[C@H]3CCC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1 17192250 MJDPELULEMYNCS-HZVDNRATSA-N 356.425 4.338 0 40 FIAB COc1ccccc1CN1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 19570182 XROCPWZWYJBBQF-UHFFFAOYSA-N 372.852 4.094 0 40 FIAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19573626 QZIWBCHUTHBEAT-UUVCCDQISA-N 365.521 4.225 0 40 FIAB Cc1ccc(Cl)cc1NCC(=O)Nc1ccc(Br)cc1 19995741 YRBZUAPZMHCHKO-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB CO[C@@H](CSc1nc2ccccc2c(=O)n1C)c1ccc(Cl)cc1 509099704 OPPFQRUPYDGASZ-INIZCTEOSA-N 360.866 4.067 0 40 FIAB Cc1nc(SCCCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc(C)c1C 9514700 ZRUCIFZGGAPYBI-UHFFFAOYSA-N 374.535 4.042 0 40 FIAB Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1cccc(F)c1 7615742 IHENMUPBVCOUMO-UHFFFAOYSA-N 355.760 4.085 0 40 FIAB COc1cc(C)c(NC(=O)c2csc(-c3ccccc3)n2)cc1OC 11646418 ZVGWCRSCNPBWCQ-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CC(C)N1C[C@H](C(=O)Nc2ccccc2SCc2ccsc2)CC1=O 40073901 IKQBYCVTNRZIOW-OAHLLOKOSA-N 374.531 4.236 0 40 FIAB CCCN(Cc1ccccc1)C(=O)/C=C/c1c(C)nc2sc(C)cn12 40017303 FUYLHJKRNWBNMD-ZHACJKMWSA-N 353.491 4.465 0 40 FIAB Cc1ccc([C@H](NC(=O)COc2ccccc2F)c2cccs2)cc1 20019343 LEGVAUQZZWBGTE-FQEVSTJZSA-N 355.434 4.480 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1 40154761 RVGDNIJHGKYOKT-IAGOWNOFSA-N 369.509 4.138 0 40 FIAB CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(=O)O)c3)c2c1 144321 UZMLUUBOXIBBQN-UHFFFAOYSA-N 350.374 4.162 0 40 FIAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cccc(F)c1 32072089 NQOBAYYNACOUDD-UHFFFAOYSA-N 363.348 4.290 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@H](C)C2 816662 LCPXMWUJJAQMPF-CRALRDPISA-N 359.447 4.295 0 40 FIAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(O)cc1 949022 MACDZSZKJYYNCK-UHFFFAOYSA-N 352.390 4.259 0 40 FIAB CCOC(=O)c1cnc2c(OC)cccc2c1NCCc1ccccc1 953673 YKXXWUXXYWHMFI-UHFFFAOYSA-N 350.418 4.075 0 40 FIAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C)c3)o2)cc1 976161 YVBIPCMQVBFDCK-CYBMUJFWSA-N 369.446 4.173 0 40 FIAB Cc1cc(NC(=O)/C=C/c2ccco2)c(C)cc1I 1105358 PTUHLTRBYKWZQM-AATRIKPKSA-N 367.186 4.153 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)Oc2cc3c(cc2Br)OCO3)C1(C)C 1595741 UWGUZNCQFYSEFK-ZUZCIYMTSA-N 367.239 4.322 0 40 FIAB CCc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(C)c5)c4ncn23)cc1 2329563 HRJMLNBTWHHIIX-UHFFFAOYSA-N 368.444 4.309 0 40 FIAB O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2ccccc2Cl)s1 2956018 MYQIYAJRCQFHDW-UHFFFAOYSA-N 371.805 4.414 0 40 FIAB COc1ccc(COc2ncnc3ccc(Br)cc23)cc1F 3285158 YGFOZWFFDITVIM-UHFFFAOYSA-N 363.186 4.119 0 40 FIAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCC1 3327538 YQJNXKVEIMHZRK-JLHYYAGUSA-N 361.420 4.314 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)o1 3602666 KPMLEKJLPPAYHC-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3cccs3)nc2c1C 4359373 YLXCTGLLTWMFOM-UHFFFAOYSA-N 359.520 4.183 0 40 FIAB CCCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 4698908 MTTNASPQZMGWKI-GXDHUFHOSA-N 364.323 4.268 0 40 FIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cc2c(cc1Cl)OCO2 4714180 FYJLJMSKBTYJFG-ACAGNQJTSA-N 362.168 4.067 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cc1 5000936 MHBIPDPFYOMHRS-UHFFFAOYSA-N 372.424 4.173 0 40 FIAB Cc1ccccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269821 AHQBVSMWYWRJAC-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CCOC(=O)C1(c2ccccc2)CCN(CCSc2ccccc2)CC1 5315344 PHBGXFFFCZHWKO-UHFFFAOYSA-N 369.530 4.376 0 40 FIAB COc1cc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2cc1OC 5349230 HEUFGWZGQJXUDK-UHFFFAOYSA-N 364.323 4.456 0 40 FIAB COc1cc2c(cc1OC)[C@@H](C13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)NCC2 5720280 HSDXWRHEZLIHTH-WUXPVOENSA-N 361.913 4.468 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)cc1 6056692 HMIWSTZUXNGRJG-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB CCCSc1nnc2n(-c3cc(C)cc(C)c3)c(=O)c3ccccc3n12 6784460 QCFTURCAXSWBDZ-UHFFFAOYSA-N 364.474 4.152 0 40 FIAB CCCc1nnc(CSc2nnc(-c3cc(Cl)ccc3OC)o2)o1 7604682 FWAMDUXWEPKHAR-UHFFFAOYSA-N 366.830 4.026 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 7752383 AYEFSTWHMWHENA-KRWDZBQOSA-N 351.450 4.186 0 40 FIAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)c(C)c3)sc2c1 7785605 QNMOENZOULRNKS-UHFFFAOYSA-N 362.476 4.113 0 40 FIAB C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cc2ccccc2o1 8238769 WTWSMASGWTWOGV-KPZWWZAWSA-N 366.442 4.113 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 8844265 FWGHILMZVCBNRY-SNVBAGLBSA-N 353.419 4.087 0 40 FIAB CC(C)C(NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)C(C)C 9063291 KGVKIKDWQJJTRJ-UHFFFAOYSA-N 350.934 4.349 0 40 FIAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCCC1 9500673 YKGFGADZLZRNCW-GFCCVEGCSA-N 365.886 4.273 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 10473025 WYKLMBDTKDCZHJ-UHFFFAOYSA-N 374.868 4.196 0 40 FIAB O=C(c1cccc(NC(=O)C2(c3ccccc3F)CC2)c1)N1CCCCC1 12197137 CMVLMGDGUJNODS-UHFFFAOYSA-N 366.436 4.122 0 40 FIAB CSc1ccc(C2=NN(C(C)=O)[C@H](c3ccc4nccnc4c3)C2)cc1 12409872 VNPPPZOXROELAV-FQEVSTJZSA-N 362.458 4.049 0 40 FIAB CC(C)CNC(=O)Cn1c(SCc2ccccc2)nc2ccccc21 12525488 NZSMMVRXQOZSTG-UHFFFAOYSA-N 353.491 4.101 0 40 FIAB Cn1c(CNC(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 12558675 IIXARESIYOUZCY-GJZGRUSLSA-N 373.378 4.012 0 40 FIAB Cc1[nH]c(=S)sc1CC(=O)N[C@H](C)c1ccc(Br)cc1 12794146 NSUCEDRZOXHXEE-MRVPVSSYSA-N 371.325 4.297 0 40 FIAB Cc1cccc2sc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c(Cl)c12 12910275 SYSHMGGOIJNZNI-UHFFFAOYSA-N 372.833 4.446 0 40 FIAB C[C@H]1CCCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)C1 13010493 MFEZJFKOVZHJFP-ZDUSSCGKSA-N 370.453 4.007 0 40 FIAB Cc1ccccc1-n1cnn(CN(C)Cc2ccc(Cl)cc2)c1=S 13073786 MWMRFIIUZWRWHB-UHFFFAOYSA-N 358.898 4.455 0 40 FIAB Cc1ccccc1NC(=O)Nc1ccc(N2CCCCC2)c2nonc12 13328479 AIHHKBZOJSPUHI-UHFFFAOYSA-N 351.410 4.166 0 40 FIAB COCCCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1 13809816 KVHVBQBTJJLOGW-MRCUWXFGSA-N 354.475 4.494 0 40 FIAB Cc1sc(NC(=O)[C@H]2C[C@H]2C)nc1-c1ccc(Br)cc1 14911540 JYEHXPLHMRGHRV-PELKAZGASA-N 351.269 4.476 0 40 FIAB CCc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C([N+](=O)[O-])=C3C=CC=CN32)cc1 15565934 GDAHNOHVAAJMCI-IRLDBZIGSA-N 372.424 4.472 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1Br 16780035 QLXQQUTUQHYYGF-HZMBPMFUSA-N 374.344 4.231 0 40 FIAB Cc1ccc(O)c(-n2c(S)nc3sc4c(c3c2=O)CCCCCC4)c1 17076346 NAWNCBPNFYJFDH-UHFFFAOYSA-N 372.515 4.409 0 40 FIAB Cc1ccc2nc3sc(Nc4ccc(C)c(Cl)c4)nn3c(=O)c2c1 17121805 WBIDHMSYLLDVGC-UHFFFAOYSA-N 356.838 4.318 0 40 FIAB C[C@@H](Sc1nnc(NC2CC2)s1)c1nnc(-c2cccs2)o1 17832302 KJIGXKPNQODWDO-SSDOTTSWSA-N 351.482 4.077 0 40 FIAB Cn1ccnc1-c1cnc(NCc2ccccc2Cl)nc1-c1ccco1 19291796 MLNXCHVBUIVCRI-UHFFFAOYSA-N 365.824 4.403 0 40 FIAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc3c(c2)OCO3)s1 19819589 GQQNZBWYTRLJTE-UHFFFAOYSA-N 372.471 4.480 0 40 FIAB CCN(CC)CCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1 19880175 WCAPQILGKMKGRU-UHFFFAOYSA-N 371.550 4.127 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 20029670 ILUSHJPDUWNKAK-NSHDSACASA-N 353.340 4.214 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 20106134 UYWRFHGIMYCTRB-LJQANCHMSA-N 372.440 4.152 0 40 FIAB CCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 20995735 WPAWPJJDBUSAGY-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB Cn1c(C2=CCCCC2)c(I)c(=O)c2ccccc21 21997196 CQVNSCMMELYPIS-UHFFFAOYSA-N 365.214 4.101 0 40 FIAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CCCC1CCCCC1 22616343 KXXSAAAAPRILTI-UHFFFAOYSA-N 357.542 4.436 0 40 FIAB Cc1cc(C)n2nc(C(=O)Oc3ccc(C4CCCCC4)cc3)nc2n1 23996794 JHUMVDHCIZPESO-UHFFFAOYSA-N 350.422 4.008 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3cccc(Cl)c3)n2)cc1 31848864 QRBDWXULPXQFEJ-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccc1Cl 31961289 MVHDAVWHUIQCLN-UHFFFAOYSA-N 363.866 4.309 0 40 FIAB O=C(NC1=NCCS1)c1ccccc1-c1ccc(C(F)(F)F)cc1 32996147 RGPNFKUOBSKHKP-UHFFFAOYSA-N 350.365 4.205 0 40 FIAB COc1ccc([C@H](NC(=O)c2cc(-c3ccc(F)cc3)no2)C2CC2)cc1 35322661 HIJFXDOOVYSMIE-HXUWFJFHSA-N 366.392 4.370 0 40 FIAB CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2Cl)cc1 36620480 CZDFLJQCKVRSKX-SFHVURJKSA-N 365.882 4.265 0 40 FIAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 40069769 OYKSIWXPMRRCTB-ZWNOBZJWSA-N 363.244 4.001 0 40 FIAB O=C(NCc1ccccc1Cn1ccnc1)Nc1ccc(C(F)(F)F)cc1 40097860 BUSIMJIBENJIJR-UHFFFAOYSA-N 374.366 4.272 0 40 FIAB CC(C)CNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 40120567 RLXSZUWRJDZUNO-UHFFFAOYSA-N 369.343 4.328 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)c2cc(C)sc2C)cc1OC(F)F 40121092 NJBPKFIMCLXBHN-JTQLQIEISA-N 355.406 4.466 0 40 FIAB C[C@@H]1CCCC[C@H]1n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387696 NFWBOFDPNVYQFM-DNVCBOLYSA-N 358.445 4.462 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccc3ccccc23)[nH]n1 44838032 JPQMTCRFHQCMFM-UHFFFAOYSA-N 357.369 4.211 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(C)cc1 44880755 WUOMUVWKZBDRLE-KRWDZBQOSA-N 355.862 4.358 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1 44949163 BKCVMAGDUQRLSV-HRAATJIYSA-N 371.477 4.375 0 40 FIAB CCCCc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 46896751 PCOJVQUQJCFHHN-UHFFFAOYSA-N 350.422 4.046 0 40 FIAB CCC1CCC(N(C(=O)c2csc(-c3ncccn3)n2)C2CC2)CC1 55197100 ODLWIZKSWILHGC-UHFFFAOYSA-N 356.495 4.174 0 40 FIAB CCC(C)(C)NC(=O)c1ccc(NCc2nc(C3CC3)no2)cc1Cl 55879350 FIQUSBSKYYWGMA-UHFFFAOYSA-N 362.861 4.131 0 40 FIAB O=C(NCc1ccc(Br)cc1)c1cc2c(s1)CCCC2 57416272 DDELVZIFINHSQQ-UHFFFAOYSA-N 350.281 4.319 0 40 FIAB c1ccc(CCSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1 57530261 ZKNXVYISOJNYSW-UHFFFAOYSA-N 364.518 4.198 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccs2)no1 58091675 SPOITSMPHVDWOQ-UHFFFAOYSA-N 363.826 4.031 0 40 FIAB CCc1ccc(CNC(=O)N2CCC(CN3CCCCCC3)CC2)cc1 58246471 MLICLKXQYUAJBJ-UHFFFAOYSA-N 357.542 4.047 0 40 FIAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(C)(C)C)ccc1O 58414008 DJPDTWOZCXKDOG-UHFFFAOYSA-N 351.397 4.079 0 40 FIAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCC[C@H]1c1ccc(F)cc1 63809240 MLSADISHLXPMPC-INIZCTEOSA-N 369.421 4.114 0 40 FIAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C=O)cn1 72214591 BPBWASPZSCVWFH-QGZVFWFLSA-N 361.486 4.163 0 40 FIAB CCOc1cccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1 72328896 WWDPIUOZHAOOKR-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB C[C@](O)(CNC(=O)c1ccccc1Nc1ccccc1)c1cccs1 76018952 IWLAOOFPCPDPAI-FQEVSTJZSA-N 352.459 4.129 0 40 FIAB FC(F)(F)c1ccc([C@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 79017316 PPEDFEDTKKJGKQ-MRXNPFEDSA-N 373.382 4.413 0 40 FIAB Fc1cc(Br)cc2c1N(Cc1nnc(-c3ccccc3)o1)CC2 84569190 AWWXANRJSNSBHV-UHFFFAOYSA-N 374.213 4.201 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 89522729 KCZDWNASOVXUGS-HXUWFJFHSA-N 360.461 4.374 0 40 FIAB COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3cccc(Cl)c3)C2)c1 96012480 JMXKJNVWDXOURG-LJQANCHMSA-N 358.825 4.055 0 40 FIAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1c(F)cccc1F 96121599 WEBUTTQSXPKAFG-UHFFFAOYSA-N 373.428 4.197 0 40 FIAB O=C(Cc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 98212176 UHJPZQZMHXCXTJ-KRWDZBQOSA-N 367.836 4.296 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1cccs1 100424844 UTVULYZHEJPRJP-QZTJIDSGSA-N 358.482 4.203 0 40 FIAB Cc1nc2n(n1)[C@H](c1cccnc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102710336 AFSQDJIWWIKUSL-OXJNMPFZSA-N 357.417 4.047 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c1OC(F)F 110509161 LZWLNHJJYCYJLW-CUTKSKPUSA-N 353.409 4.251 0 40 FIAB CC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)cc12 169747721 FNCRRYQTVLJJFX-UHFFFAOYSA-N 369.335 4.314 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 222981956 FESXVARKMUFLOX-IBGZPJMESA-N 355.434 4.195 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccc(F)cc2)cc1Cl 224161341 VABOPVQFCXAWTK-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB CCOc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 224291312 YQYTVNUYQTXXMM-UHFFFAOYSA-N 368.368 4.451 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 224445514 WUTPEQJEPAKOEH-LJQANCHMSA-N 361.869 4.255 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)CCCC2 224540026 CSQHAXFJZRYJEL-UHFFFAOYSA-N 362.517 4.481 0 40 FIAB COc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 224652298 VWIVDGKFWZNUIT-SFHVURJKSA-N 353.462 4.273 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N[C@@H](C)CC 225310942 FIQSCTXLBZMDQP-STQMWFEESA-N 373.324 4.425 0 40 FIAB COC[C@@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1Cl 225638913 YPIWGANFFSXICF-LPMFXHHGSA-N 369.889 4.288 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(C)c(Cl)c3)n2)cc1 225816278 WXSALPNPVRKMFU-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2C)cc1 226353168 YFNGRPJIXZWERD-UHFFFAOYSA-N 371.414 4.062 0 40 FIAB Cc1cnc([C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)s1 257290233 QCCMORLNXFVRRW-QGZVFWFLSA-N 355.507 4.072 0 40 FIAB Cc1nccc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257309427 UAWXOTMTJXGFSG-JOCHJYFZSA-N 373.456 4.487 0 40 FIAB O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 408668915 RHZWMJYWSNIPIW-SFHVURJKSA-N 357.409 4.312 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1F 408708000 NATRCMKANKKHGD-ZDUSSCGKSA-N 360.816 4.088 0 40 FIAB CCOC(=O)c1sc(NC(C)=O)c(C(=O)Nc2ccc(C)c(C)c2)c1C 409111009 BDXBHGXTRAUIMK-UHFFFAOYSA-N 374.462 4.061 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)[C@H]3CC[C@H]3c3ccc(F)cc3)CC2)no1 529418212 NECAJXKKIOLJOY-ROUUACIJSA-N 371.456 4.232 0 40 FIAB CC1(C)CN(C(=O)NCc2ncoc2-c2ccccc2)[C@@H]1c1ccncc1 562666891 ZTIHJACDOYIEII-LJQANCHMSA-N 362.433 4.029 0 40 FIAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CCSc2ccccc2)C1 575614980 ASDNVVXSROZNMW-KRWDZBQOSA-N 365.502 4.301 0 40 FIAB COc1cncc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1 2037988907 NFRLZZQNOLHNMS-UTKZUKDTSA-N 369.484 4.109 0 40 FIAB O=C1Cc2ccccc2Sc2c(OCCN3CCCCC3)cccc21 726335 KQKIJSXRQLKDCH-UHFFFAOYSA-N 353.487 4.441 0 40 FIAB COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3N)n2)cc1 1405145 HVAXEOXDJNQZMN-UHFFFAOYSA-N 366.421 4.393 0 40 FIAB CN(C)CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 1788251 ONVLJBJUWGOGKX-UHFFFAOYSA-N 352.381 4.396 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 2760882 IALKDVQCLHQWAN-CQSZACIVSA-N 355.434 4.397 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccc(F)c1 4119914 ODZKUKJPPKDHMW-UHFFFAOYSA-N 354.406 4.317 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)c(C)c1 4315632 WAOKMMIZUWJBIK-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1 4902578 DTDDOMYUMPTWHB-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 5559045 KMUJNUNNNQWHKU-CYBMUJFWSA-N 354.431 4.225 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCc2ccccc2C1 5578547 FJAISRZDZNTKPY-UHFFFAOYSA-N 351.837 4.033 0 40 FIAB CC[C@H](C)NC[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5875949 DSOCMSSZHZEROG-GAHAVRLESA-N 357.538 4.282 0 40 FIAB O=C(NCCOc1cccc2ccccc12)c1ccc(Br)cc1 5876613 BPQWQQPQBLATKQ-UHFFFAOYSA-N 370.246 4.411 0 40 FIAB C[C@H](Sc1nnc(C2CCCCC2)o1)c1nc2ccccc2c(=O)[nH]1 6104054 QTPIAJVNXBBEJC-NSHDSACASA-N 356.451 4.207 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)OCc2csc(Nc3ccccc3)n2)c1C 6608772 ODCOWEXZAVZQGT-UHFFFAOYSA-N 369.446 4.391 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2c(Cl)cccc2Cl)[C@@H]1C 6995430 FSGGEQHZDBWFNL-JTNHKYCSSA-N 358.265 4.091 0 40 FIAB COc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)cc1F 7274222 DYNXLEBZNZDBSV-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 7495434 AWYOHTVTURTEEB-HXUWFJFHSA-N 366.505 4.036 0 40 FIAB Cc1ccc(C)c(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 7759980 ZBMCUTGBVOYBRD-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)c1C 8030693 FRMGZBVJBJIAQF-CYBMUJFWSA-N 370.518 4.200 0 40 FIAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCCC2 8268783 SRIQILJCBUGYQT-INIZCTEOSA-N 362.473 4.183 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 8782343 MTYMLRGPBNUDON-HOTGVXAUSA-N 366.461 4.200 0 40 FIAB CCOc1ccccc1NC(=O)CCCc1nc(-c2cccs2)no1 9699757 YHAZBRUQJAGSPF-UHFFFAOYSA-N 357.435 4.158 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)c2cccc(C)c2)n1 11057812 MQDJZNVMAINMHT-UHFFFAOYSA-N 369.421 4.468 0 40 FIAB C[C@@H]1C[C@H]1C(=O)NC1CCN(C[C@H](c2ccccc2)C2CCCC2)CC1 12188822 VYMNHOWTMIKDOZ-ZPMCFJSWSA-N 354.538 4.197 0 40 FIAB O=C(c1cn2cc(Cl)ccc2n1)N1CCC(Cc2ccccc2)CC1 12323632 JOCRHNDLCFLPIO-UHFFFAOYSA-N 353.853 4.083 0 40 FIAB Cc1nc(CSc2ccc(C(=O)Nc3ncccc3O)cc2)cs1 12537823 FAIAMKDFDQJGMU-UHFFFAOYSA-N 357.460 4.097 0 40 FIAB Cc1cccc(/C=C2\C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)c1 12543727 NSVMMEXJKJNOOZ-STZFKDTASA-N 354.409 4.113 0 40 FIAB O[C@](Cc1noc2ccccc12)(c1nc2ccccc2s1)C(F)(F)F 12788516 PJMKBVFAJMRGTO-MRXNPFEDSA-N 364.348 4.430 0 40 FIAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 12792543 ZSUVCAPARBJFFE-VXGBXAGGSA-N 365.449 4.152 0 40 FIAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccc(C)cc1)O[C@@H](C)C2 12934995 FWTXBDICQDGYSY-HNNXBMFYSA-N 367.445 4.319 0 40 FIAB O=C([C@H]1CC1(Cl)Cl)N1CCC(c2nc3ccccc3s2)CC1 14141985 LUBONKYAIWNWGW-LLVKDONJSA-N 355.290 4.196 0 40 FIAB CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 15504621 IWUOWWYHVAYURB-UHFFFAOYSA-N 365.882 4.338 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3cc(C)cc(C)c3)cs2)cc1 15832556 PKZPBOYBNRCDNC-UHFFFAOYSA-N 366.486 4.431 0 40 FIAB COc1c(C)cc(C(=O)N2CCC[C@@H](c3cc4cnccc4[nH]3)C2)cc1C 19570060 XGBYSLMQDZPVHI-MRXNPFEDSA-N 363.461 4.208 0 40 FIAB Cc1ccc2c(NC(=O)c3cc4cc(Cl)ccc4nc3C)n[nH]c2n1 19718657 UBDUMGCIHQCLLP-UHFFFAOYSA-N 351.797 4.029 0 40 FIAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccc(F)cc2)CC3=O)cc1 20633121 HGSHZYYCFCCTOE-HNNXBMFYSA-N 350.393 4.241 0 40 FIAB Cc1ccc([C@@H](NCc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1 24497094 OGBVGQCCSDZQJX-HXUWFJFHSA-N 361.470 4.172 0 40 FIAB Cc1cc(C(=O)CSc2nc3sccc3c(=O)n2C)c(C)c(C)c1C 24717608 GEIOYKGZFOUSPR-UHFFFAOYSA-N 372.515 4.204 0 40 FIAB COC(=O)c1occc1CSc1nc(C)nc2sc3c(c12)CCC3 24967907 WSGLYVHXVYQCOG-UHFFFAOYSA-N 360.460 4.160 0 40 FIAB O=C(c1cccc2cn[nH]c12)N(Cc1cccc(Br)c1)C1CC1 25090775 RXQJHQLISNWHBW-UHFFFAOYSA-N 370.250 4.130 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)c1cccs1 27313936 OFPRGEXWOLBTRE-ZDUSSCGKSA-N 356.447 4.423 0 40 FIAB CC(=O)c1cccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 27925964 GARHHCCYMDJPTL-UHFFFAOYSA-N 362.433 4.013 0 40 FIAB Cc1cc(C)n2ncc(C(=O)N[C@H](c3cccs3)C3CCCC3)c2n1 32397783 YXERHMGNFZADJL-KRWDZBQOSA-N 354.479 4.069 0 40 FIAB CCc1nc2sc([C@H](c3ccccc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104793 KTKLQWDPJBNKQB-ZQIUZPCESA-N 370.522 4.126 0 40 FIAB CSc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 36797581 WFYWEGZXEUQQEM-NSHDSACASA-N 361.898 4.222 0 40 FIAB CC(C)c1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 38591906 WHXQSLHDCXEGRX-UHFFFAOYSA-N 367.489 4.053 0 40 FIAB CCc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 40086780 RROXOHFIJMICNY-INIZCTEOSA-N 373.456 4.387 0 40 FIAB Cc1csc(NC(=O)CCSc2ncnc3sc(C)c(C)c23)n1 40287225 LNWUVGJJVQMFCW-UHFFFAOYSA-N 364.521 4.194 0 40 FIAB Cc1nnc([C@H]2CCCN(C(=O)NCc3cccc4ccccc34)C2)s1 44204490 YCGYETHXNZRTCZ-KRWDZBQOSA-N 366.490 4.089 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933430 ILTYFJLVWKILFS-YLJYHZDGSA-N 354.469 4.224 0 40 FIAB CCCOc1ccc2ccccc2c1CN(C)c1cncc(-n2cccn2)n1 48287836 UACQEUAKNDIHKU-UHFFFAOYSA-N 373.460 4.241 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1 57416738 FQHFEWUPPPLIKI-UHFFFAOYSA-N 353.853 4.092 0 40 FIAB CCN(C(=O)N[C@@H](C(=O)N1CCC(C)CC1)c1ccccc1)[C@H](C)C(C)C 58174928 JMYOZXKNWUJAEO-UYAOXDASSA-N 373.541 4.062 0 40 FIAB CCc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58430540 CNEQXLACQUYCDW-NSHDSACASA-N 358.492 4.431 0 40 FIAB COc1ccccc1-c1ccccc1C(=O)NC[C@@H](C(C)C)N1CCCC1 62580871 DAORJMZJSUTWQX-NRFANRHFSA-N 366.505 4.212 0 40 FIAB Cc1ccc2oc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)cc2c1 67339682 WFZZPZZDMFQIJZ-VQHVLOKHSA-N 362.429 4.230 0 40 FIAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)c1 72350091 MQFIYNRMSUNOOU-HXUWFJFHSA-N 350.506 4.339 0 40 FIAB C[C@@H](NC(=O)CN(C)c1nc2c(Cl)cccc2s1)c1ccccc1 75162154 KNSFPEYQCUGTIR-GFCCVEGCSA-N 359.882 4.263 0 40 FIAB CC1(C)C[C@H](NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)CCO1 95475620 XTONVRDRXGIJOV-IEBWSBKVSA-N 374.912 4.389 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1 95482196 VVXSYTZXDGZIDH-MDZDMXLPSA-N 374.227 4.373 0 40 FIAB O=C(N[C@H]1CCCc2c1[nH]c1ccc(F)cc21)c1n[nH]c2c1CCCCC2 96223617 DGABMHMQRSKYPK-SFHVURJKSA-N 366.440 4.106 0 40 FIAB O=C(Oc1ccccc1OC(=O)C1[C@H]2CCCC[C@@H]12)C1[C@H]2CCCC[C@H]12 100101727 MKXWCSWNXSFVPC-IPGUZUCZSA-N 354.446 4.370 0 40 FIAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1scnc1-c1ccccc1 102724800 TUCJUNMDIQGING-NSHDSACASA-N 360.385 4.494 0 40 FIAB O[C@@H](COCC[C@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 104492929 RDXQFUZNRUQJIT-JLLPCOHGSA-N 371.565 4.145 0 40 FIAB Cc1cn(-c2ccccc2)nc1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1 106852603 KEKFMRZMRMKJMY-FMIVXFBMSA-N 369.428 4.018 0 40 FIAB O=C(Nc1ccccc1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F 107100778 QRDSIKVPUHDSDA-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccco1 138685367 BIYXBEKJPHOYCR-UHFFFAOYSA-N 353.871 4.140 0 40 FIAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)Nc1ccccc1Cl 206688709 BSVUTRPUALLTBU-INIZCTEOSA-N 362.838 4.398 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1OC 216251408 HJRXXIVSJNXINL-KDOFPFPSSA-N 371.502 4.378 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 216414660 UGNFMXDBVUJZBD-CQSZACIVSA-N 374.868 4.276 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 222998801 GVIPQTFZOKHFGN-AZUAARDMSA-N 355.478 4.353 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCOCc2ccccc2)cc(C)c1Cl 224138498 MLFWIONVJZCGAD-INIZCTEOSA-N 361.869 4.057 0 40 FIAB O=C(CCCOc1ccc(Cl)cc1)NCCOc1ccccc1Cl 224144670 QKJAPUCZIIYRAR-UHFFFAOYSA-N 368.260 4.348 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 224951717 SPXUDMRRKFTKRK-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB O=C(CCc1c(Cl)cccc1Cl)N1CCN(c2ccccc2)CC1 225345762 DKBNGHXVTAOACQ-UHFFFAOYSA-N 363.288 4.275 0 40 FIAB COc1ccc(NC(=S)NCCSC2CCCCC2)cc1OC 225356982 CTMOICFCPDOJNO-UHFFFAOYSA-N 354.541 4.056 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 225832421 MRBMIIWFQRUGNW-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB CC1(C)[C@@H](C(=O)O)C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 253188957 XJBNGJBKCDCYHC-RTBURBONSA-N 365.429 4.024 0 40 FIAB CCOc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 504578295 PLBJNRPWYUGGEM-HSALFYBXSA-N 353.418 4.384 0 40 FIAB CC1(C)C[C@H](O)c2c(OCc3cccnc3C(F)(F)F)cccc2O1 530164735 LEACHSMPZJZAMK-LBPRGKRZSA-N 353.340 4.274 0 40 FIAB CCOc1c(Cl)cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1OC 561395274 BMNUWQXNEJILIF-MRXNPFEDSA-N 363.889 4.424 0 40 FIAB COc1ccc(C(=O)NC[C@H](c2csc3ccccc23)N(C)C)cc1F 575622580 ZYKNJBBVNAPGRA-QGZVFWFLSA-N 372.465 4.082 0 40 FIAB Cc1cc(CN2CCC[C@H]2c2csc(NC(=O)c3ccccc3)n2)no1 1615189176 FCZXETRTTOPXCB-KRWDZBQOSA-N 368.462 4.029 0 40 FIAB Cc1ccnc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 2037988674 DBIUXQCQLBODII-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB Cc1cc(OCC(=O)OC(C)(C)C)c2c(-c3ccccc3)cc(=O)oc2c1 639320 PZUICDXRUKRPGQ-UHFFFAOYSA-N 366.413 4.489 0 40 FIAB Cc1ccc(C2=NN(C(=O)CCN3CCCCC3)[C@@H](c3ccco3)C2)cc1 1306425 YHDVDSVNDMGAKU-HXUWFJFHSA-N 365.477 4.142 0 40 FIAB COc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)c1 1377831 PNHRWTJZXCMWGX-QZTJIDSGSA-N 370.518 4.072 0 40 FIAB C[C@@H]1S[C@@H](c2ccc3c(c2)OCO3)N(c2nc3ccccc3s2)C1=O 1461319 COGVDUJQKIESAP-BTDLBPIBSA-N 370.455 4.192 0 40 FIAB Cc1ccc(-c2nnc3ccc(SCC(=O)c4ccccc4)nn23)cc1 4164876 GJZJAQDXKIKHFT-UHFFFAOYSA-N 360.442 4.075 0 40 FIAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)c1 4585209 WHKBQSVWTYSJKP-UHFFFAOYSA-N 369.424 4.313 0 40 FIAB Cc1cccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)c1 5137119 LKFSYBNSKNPSHV-UHFFFAOYSA-N 368.477 4.467 0 40 FIAB Cc1ccc(C[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 5197581 ARRASWWBPLATOR-AWEZNQCLSA-N 365.351 4.286 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccccc1Cl 5252275 DVIOGOZCOUPYTA-UHFFFAOYSA-N 354.837 4.282 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(F)c(F)c1)CO2 5516327 YCCIYJOZQDLQCF-UHFFFAOYSA-N 369.367 4.225 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 6648745 RBECPGISFNAUTQ-CQSZACIVSA-N 363.442 4.469 0 40 FIAB Cc1ccc2oc(C(=O)N(Cc3ccccc3)c3ccccn3)cc(=O)c2c1 6660676 YXUCULLHQOSJIN-UHFFFAOYSA-N 370.408 4.343 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c(C)c1 6947979 NHDYDRNQGQTMBR-UHFFFAOYSA-N 363.866 4.231 0 40 FIAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc2c1OCO2 7748107 ITTMOXHOTQPRPX-WUXMJOGZSA-N 369.398 4.049 0 40 FIAB O=C(NCc1ccccc1F)c1cn(-c2ccccc2)nc1-c1cccnc1 7755639 RJAVYIZCMAHZIH-UHFFFAOYSA-N 372.403 4.003 0 40 FIAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1cc(Cl)ccc1F 7789327 FPOJZRLFRZHXJQ-UHFFFAOYSA-N 350.796 4.221 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7882149 KIVABQVMIVRHHP-OXQOHEQNSA-N 364.489 4.360 0 40 FIAB O=C1c2ccccc2N[C@@H](C2CCCCC2)N1c1ccc2c(c1)OCO2 7884969 NPPWDFMSRMGNBK-HXUWFJFHSA-N 350.418 4.394 0 40 FIAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 8266941 FEQWUNOOMYFWTL-UHFFFAOYSA-N 368.521 4.355 0 40 FIAB CNC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1 8423892 AWZKJHSPGCBOSL-UHFFFAOYSA-N 374.868 4.149 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 8495217 WJALBQGKTSEUQM-KRWDZBQOSA-N 361.441 4.368 0 40 FIAB CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(Cl)cc2)no1 8540698 IXUUTFLETXYUDR-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccccc2C)c1 8571132 YNEFVTSBILJCKS-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 8705566 QTBQTRRPUAEADS-UHFFFAOYSA-N 350.422 4.000 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 9156640 WEBLLYMOKXMKRT-SFHVURJKSA-N 374.271 4.175 0 40 FIAB CCOC(=O)C1CCN(C(=S)c2ccc(-c3ccccc3)cc2)CC1 9188302 RRUJOOVETSODLZ-UHFFFAOYSA-N 353.487 4.304 0 40 FIAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc2sccc2c1 10218326 VSWSPRBDKMDPIS-UHFFFAOYSA-N 359.472 4.094 0 40 FIAB COc1ccccc1Cn1c(C)c(C)c2c(=O)n(-c3ccccc3)c(C)nc21 11692097 ABGPEKACROQGOW-UHFFFAOYSA-N 373.456 4.169 0 40 FIAB C[C@H](NC(=O)c1ncoc1-c1ccccc1C(F)(F)F)c1ccncc1 12115186 GNFMRFGRYQWRAU-NSHDSACASA-N 361.323 4.246 0 40 FIAB COc1ccc(C2(NC(=O)c3cc(C(C)(C)C)nn3C)CCCCC2)cc1 12143168 YPMZGXZXQORIHR-UHFFFAOYSA-N 369.509 4.316 0 40 FIAB O=C(Nc1ncc(-c2cccnc2)s1)c1ncoc1-c1cccs1 12338292 FIKFANIHLFIHRY-UHFFFAOYSA-N 354.416 4.174 0 40 FIAB O=C(O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 12551129 FUXKJHVJMCPITB-UHFFFAOYSA-N 357.369 4.180 0 40 FIAB C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccccc1N1CCCCC1 12609968 NYMUWPRIKGJMKT-QGZVFWFLSA-N 369.484 4.275 0 40 FIAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)C(Cl)(Cl)Cl 13946175 SLLKGSQTXWSTNG-UHFFFAOYSA-N 369.635 4.481 0 40 FIAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3ccc(C(N)=O)cc3)cc2C1 14830382 TYTNXHMFQWOOIG-AWEZNQCLSA-N 356.491 4.250 0 40 FIAB CCOc1cc2ccccc2cc1C(=O)Oc1c(OC)cccc1OC 16960894 UFKMUUNNINDTHV-UHFFFAOYSA-N 352.386 4.475 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)C[C@H]1C=CCC1 17974483 MSWMHLZAQAOPLP-NSHDSACASA-N 374.790 4.112 0 40 FIAB c1ccc2c(CN3CCC(c4nnc(-c5ccncc5)o4)CC3)ccnc2c1 19376072 ANJCWOCINIDZPZ-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2Cc2cnn(C)c2)n1 19686992 XLYKKHSVQUWGII-QFIPXVFZSA-N 364.468 4.191 0 40 FIAB S=c1oc2ccccc2n1CN1CCN(C/C=C/c2ccccc2)CC1 22037245 UGDDMHKEOXHMDH-RMKNXTFCSA-N 365.502 4.252 0 40 FIAB CC(C)c1ccc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24390040 WCKJQWHEQWNPSV-UHFFFAOYSA-N 366.505 4.101 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1nccn1-c1ccccc1 25969410 NYQHNURDHUJBJV-OAHLLOKOSA-N 367.474 4.390 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(SC(F)F)cc1 27336213 LFPUAEVYLZANGJ-HNNXBMFYSA-N 366.433 4.161 0 40 FIAB COc1ccccc1-c1nnc(SCCC(C)=O)n1-c1ccc(C)cc1 27370058 XNRNDGFTPHWHDD-UHFFFAOYSA-N 367.474 4.323 0 40 FIAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccc2ccccc2c1 27933034 MUFXLTPECPERRO-UHFFFAOYSA-N 361.367 4.184 0 40 FIAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)NC1CCCCC1 28234105 NRVCPJUOUFKBBD-UHFFFAOYSA-N 350.825 4.178 0 40 FIAB Cc1c(C(=O)NC[C@@H]2CCCc3ccccc32)[nH]c2c1C(=O)CC(C)(C)C2 29109087 OVWRERZMPKQYDE-INIZCTEOSA-N 364.489 4.328 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(OCc2cccs2)c1 32632917 PKMIJZPZMPOOLL-UHFFFAOYSA-N 367.426 4.351 0 40 FIAB Cc1cc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c(C)o1 32774328 IFEZDXLWJGUJLJ-UHFFFAOYSA-N 361.394 4.428 0 40 FIAB O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(F)cc1F 32931839 RVXKCVYAABKVSR-LJQANCHMSA-N 366.367 4.075 0 40 FIAB Cc1cc(NC(=O)[C@H]2CC=CCC2)n(-c2cccc(Br)c2)n1 36759229 ZCGMNTFXAGLAST-ZDUSSCGKSA-N 360.255 4.238 0 40 FIAB CN(Cc1ccc(F)cc1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 40058453 SMFPEGGBDGQESW-UHFFFAOYSA-N 372.440 4.374 0 40 FIAB CCOC(=O)c1cc(-c2ccccn2)nc2ccc(Br)cc12 44787362 LQWSFWKHZDILMS-UHFFFAOYSA-N 357.207 4.236 0 40 FIAB Cc1ccc(OC(=O)c2c(Cl)nc3ccccn23)c2c1[C@@H](C)CC2=O 54732820 JTWFDGRQMKLGQM-NSHDSACASA-N 354.793 4.205 0 40 FIAB O=c1c2oc3ccccc3c2ncn1Cc1cccc(OCC(F)(F)F)c1 57490289 ORRNMNLYXSBPMZ-UHFFFAOYSA-N 374.318 4.132 0 40 FIAB CC(C)n1c(CN2CCC(O)(c3ccc(F)cc3)CC2)nc2ccccc21 57823250 GXXWASONKIHOQH-UHFFFAOYSA-N 367.468 4.240 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H]1CCC(C)(C)c2ccccc21)c1cccs1 58157915 LJMBJLQXHUJBRM-ROUUACIJSA-N 370.518 4.244 0 40 FIAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 58309794 SSTAKQRSZCKGBQ-GOSISDBHSA-N 372.469 4.283 0 40 FIAB COc1ccc(C2(CNC(=O)c3cccnc3Cl)CCCCC2)cc1 63083235 BUPWZIPPRBNJDR-UHFFFAOYSA-N 358.869 4.376 0 40 FIAB Cc1cc(C)cc(Nc2nn3c(=O)c4cc(Cl)ccc4nc3s2)c1 65329999 BRGMNWQDWSJWIB-UHFFFAOYSA-N 356.838 4.318 0 40 FIAB O=C(Cn1ccc2c(Cl)cccc21)Nc1nc(-c2cccnc2)cs1 71286603 JEINPCPCRYLOTB-UHFFFAOYSA-N 368.849 4.452 0 40 FIAB CC[C@H](C)Nc1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213408 GUKXKLXWYDJDDO-LPHOPBHVSA-N 373.522 4.126 0 40 FIAB C[C@H]1C[C@@H]1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1 72343204 VYMNHOWTMIKDOZ-HSQYWUDLSA-N 354.538 4.197 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2nc(C(C)(C)C)cs2)cc1 72401960 DQGDSTCZYNETBT-UHFFFAOYSA-N 374.491 4.220 0 40 FIAB COc1cc(-c2nccn2[C@@H]2CCCN(Cc3cccs3)C2)ccc1O 77321356 OCHLYPKTVNXMRD-MRXNPFEDSA-N 369.490 4.163 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2C1=Cc2ccccc2OC1 79483828 TZAPMDUMZPJJJI-MRXNPFEDSA-N 357.435 4.022 0 40 FIAB Cc1ccc(-c2nnc(SCc3nc(N)c4c(C)c(C)oc4n3)o2)cc1 84174725 BBYZQKDVLYFKJJ-UHFFFAOYSA-N 367.434 4.073 0 40 FIAB c1ccc(COc2cccc(CN3CCCC[C@H](N4CCCC4)C3)c2)nc1 92785895 CQUQVKUJEKQZFH-QFIPXVFZSA-N 365.521 4.111 0 40 FIAB CC(C)c1nc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cs1 95941327 CJIYCOOQMRYILD-CHWSQXEVSA-N 365.930 4.275 0 40 FIAB O=C(c1ccsc1)N1CCC2(CCN(Cc3ccsc3)CC2)CC1 96047269 DCNMUORRCCQDHK-UHFFFAOYSA-N 360.548 4.328 0 40 FIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1C=C[C@@H]2C12CC2 100116500 YKNXPBGMSRCWMF-NUZBWSBOSA-N 367.754 4.060 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@H]3C2(C)C)cc1 100251760 YBRGUZBUTBKHJL-JLTOFOAXSA-N 368.506 4.086 0 40 FIAB O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccccc1Cl 100419654 DDNZZZOPARXLEL-QZTJIDSGSA-N 354.881 4.265 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1)c1ccncc1 100425761 GOQNWFXKHVRZEX-PMACEKPBSA-N 369.896 4.051 0 40 FIAB O=C(COc1cccc2cccnc12)Nc1ccccc1Br 193820938 NWOAMXSKJDNUDD-UHFFFAOYSA-N 357.207 4.015 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222796124 RXXSLDXYNNFOMT-MOPGFXCFSA-N 366.465 4.004 0 40 FIAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)c(C)c1 224850814 VZJQLNPWORQQPO-LJQANCHMSA-N 366.461 4.012 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccccc2Cl)c1 224909423 RBHJNCOYEKWKHY-UHFFFAOYSA-N 361.869 4.346 0 40 FIAB Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cc1 225313125 IFOQWHZKKVAFDG-UHFFFAOYSA-N 372.877 4.318 0 40 FIAB O=C(Nc1ccccc1Cl)N1CC[C@H](N2CCc3ccccc3C2)C1 225687796 ZQQIWSQXAOQCLI-KRWDZBQOSA-N 355.869 4.005 0 40 FIAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cn1 225861530 HEYQFGYUVRQAIE-UHFFFAOYSA-N 372.440 4.087 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC[C@H]1CC 260529544 HTGICZVNLJPYDU-UXHICEINSA-N 360.542 4.232 0 40 FIAB CN(Cc1ccccc1)C(=O)CSCc1ccccc1Br 408780915 NCSFQHCUXWXMMB-UHFFFAOYSA-N 364.308 4.341 0 40 FIAB CCO[C@H]1C[C@@H](O)C12CCN(CCCc1cccc3ccccc13)CC2 524990204 HCDJGANVXMLJJR-YADHBBJMSA-N 353.506 4.024 0 40 FIAB CC(C)[C@@H](O)[C@H](NC(=O)c1cccc(C(F)F)c1F)c1ccccc1 585123965 TZVIBMGNPPBLKC-IAGOWNOFSA-N 351.368 4.251 0 40 FIAB FCC1(CF)CC(NCC2CCN(Cc3ccccc3Cl)CC2)C1 657878333 GSJSOJHGQRTNBK-UHFFFAOYSA-N 356.888 4.229 0 40 FIAB O[C]1C=C(Br)C=C/C1=C1/Cc2cc(Br)ccc2N1 1560403737 MAKNKVUFZARWPG-UHFFFAOYSA-N 368.048 4.424 0 40 FIAB Cc1ccc(F)c(S(=O)(=O)N(C)CCc2cccc3ccccc23)c1 1561191368 NFRRBNDSEYYGEB-UHFFFAOYSA-N 357.450 4.151 0 40 FIAB COC(=O)c1c(NC(=S)Nc2ccccc2Cl)sc2c1CCC2 8092161 NLJPOUFLIVYLCF-UHFFFAOYSA-N 366.895 4.486 0 40 FIAB O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)F)C[C@]1(O)C1CCCCC1 857380 BBTYEAZKBBZOFQ-INIZCTEOSA-N 374.790 4.373 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)NC3CCCCCC3)cc2)n1 32578791 ADTMYSDGTVAGCP-UHFFFAOYSA-N 357.454 4.078 0 40 FIAB CCN(CCO)[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 4769618 FCPMTNGZZNNVQK-ZWKOTPCHSA-N 354.277 4.082 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 21496975 VBXWQDFZTGJUIT-CYBMUJFWSA-N 370.426 4.031 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 6433243 NOWADQXXFRSDDO-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB CCCCCn1nc(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O 6510859 PTBHQCMZESKAFB-UHFFFAOYSA-N 369.852 4.492 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(F)cc2)cc1 7275409 PSWZVXPENGKPFE-UHFFFAOYSA-N 358.438 4.017 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1Cl 7402399 SUOWGKKNRPHMRS-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB COc1ccccc1-c1nc(CNc2ccc(C(N)=O)c(Cl)c2)cs1 46500894 BMJIKWGBHHLPGH-UHFFFAOYSA-N 373.865 4.183 0 40 FIAB Cc1cccc(C)c1OCCNC(=O)c1ccc(CSC(F)F)o1 32931342 IEJMQDLWDMNIOV-UHFFFAOYSA-N 355.406 4.161 0 40 FIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1Br 705342 VIVFBUNXCPHADI-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB COc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c(SC)c1 12390806 WHDFZDNJQJRMKE-UHFFFAOYSA-N 364.430 4.314 0 40 FIAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCC[C@@H]1C 108851963 GOBNLEVBNFDLID-MJVIPROJSA-N 358.265 4.234 0 40 FIAB CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 992795 VECBHVLSPCJBOP-UHFFFAOYSA-N 361.397 4.228 0 40 FIAB CC(C)OC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCC2 1088613 XDSAFZUYFBHERO-UHFFFAOYSA-N 373.474 4.210 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 12435520 GPOYQIOGSBTLJI-UHFFFAOYSA-N 359.223 4.050 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C)N=O 100362887 YRZPDZKJZDPQIF-ZMJBZLFPSA-N 374.525 4.253 0 40 FIAB COc1ccc(-c2ccc(CNC[C@@H](O)c3ccccc3)o2)cc1Cl 20018577 NAHSWSLFZSVYKW-GOSISDBHSA-N 357.837 4.432 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3nnn(CCc4ccccc4)c(=O)c23)C1 1321086 PKDFYNONGOSGJV-HNNXBMFYSA-N 367.518 4.247 0 40 FIAB COC(=O)C1(NC(=O)c2sc3cc(F)ccc3c2Cl)CCCCC1 25168793 LJKMPEOMTGSBLU-UHFFFAOYSA-N 369.845 4.300 0 40 FIAB Cc1sc2nc(SCc3nc(-c4ccccc4)no3)nc(N)c2c1C 12540625 HSNPGAVCVCTTMT-UHFFFAOYSA-N 369.475 4.233 0 40 FIAB COc1ccc2cc(CN[C@H](C)c3ccc(-n4cncn4)cc3)ccc2c1 25364804 NWJYQSVCCNZCRJ-MRXNPFEDSA-N 358.445 4.280 0 40 FIAB C[C@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3271831 LWYBXZKGLKMEIU-HNNXBMFYSA-N 362.385 4.058 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)[C@H]3CC[C@H](SC)C3)cs2)cc1 78933992 SBLRPMORYFTBHL-ZFWWWQNUSA-N 362.520 4.175 0 40 FIAB C[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1C 57727647 KROZHGXZMBXNMU-OLZOCXBDSA-N 364.367 4.363 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1OC 20029718 JINIFROJARTXBZ-LLVKDONJSA-N 353.340 4.214 0 40 FIAB COC(=O)[C@@H]1CCCCN1Cc1cc(-c2ccc(Cl)cc2Cl)no1 28635219 WYHCWEDPEGUXGG-INIZCTEOSA-N 369.248 4.176 0 40 FIAB CC(C)c1noc([C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 27765958 NXWKCTBTMMUHMT-CYBMUJFWSA-N 368.403 4.095 0 40 FIAB Cc1cc(OCC(=O)Nc2cc(-c3ccc(F)cc3)no2)ccc1Cl 27993972 BHQBRRALTQIUNF-UHFFFAOYSA-N 360.772 4.460 0 40 FIAB CC(C)CCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 2291454 AUYPJRWOMRAUMQ-UHFFFAOYSA-N 368.408 4.145 0 40 FIAB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1cccc2ccccc12 3333065 MEZHLUBBIMVWNY-UHFFFAOYSA-N 358.397 4.046 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)n1 61115280 IKGCBHDTJZCZTH-INIZCTEOSA-N 351.425 4.178 0 40 FIAB CCN(c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1)C(C)C 3337099 HCZFDTGEHYBKRC-UHFFFAOYSA-N 369.490 4.218 0 40 FIAB Cc1cc(NC(=O)c2ccc3c(c2)OCCCO3)ccc1Br 10916826 YNALDEXGDIROPC-UHFFFAOYSA-N 362.223 4.171 0 40 FIAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 45462660 ZWDNPJZSPBPVCJ-CQSZACIVSA-N 371.447 4.186 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(C(=O)c2ccoc2)C1 36729369 FOXMSZLIYRRWMJ-LLVKDONJSA-N 367.232 4.077 0 40 FIAB CCOc1ccccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 11466904 GKXSBXHDDTWXPV-UHFFFAOYSA-N 365.433 4.082 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1 62580786 IJQBPLQNBYPMQL-CQSZACIVSA-N 373.497 4.270 0 40 FIAB COc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)O)c1OC 38198128 BPQVIKMJNIHOPM-SEYXRHQNSA-N 361.397 4.437 0 40 FIAB CN(C(=O)CC[C@@H]1Cc2ccccc2NC1=O)[C@@H]1CCCc2ccccc21 12982336 UVIXLXRWFMXMBY-WIYYLYMNSA-N 362.473 4.114 0 40 FIAB COc1ccc(OCCCC(=O)NCc2ccc(Cl)cc2Cl)cc1 3606597 SWFTUFMXJLAOMK-UHFFFAOYSA-N 368.260 4.477 0 40 FIAB O=C(CSc1cnc2ccccc2n1)Nc1cccc(C(F)(F)F)c1 4275539 WNOWGPHZMBEODC-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 5120426 XYVVHIZBMMSOMG-JTQLQIEISA-N 360.262 4.042 0 40 FIAB Cc1cccn2cc(CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)nc12 65475615 YXLQYVHOXPRGNF-OAQYLSRUSA-N 365.452 4.372 0 40 FIAB CN(Cc1ccccc1)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1 14022128 BSDQFUZQVPFOBG-UHFFFAOYSA-N 372.881 4.076 0 40 FIAB CCCCN1CN(CCc2ccc(OC)cc2)Cn2c1nc1ccccc12 6585829 YUQSAJRVTNOFFR-UHFFFAOYSA-N 364.493 4.125 0 40 FIAB Cc1cccc(OCc2nn(CC(=O)Nc3ccccc3C)c(=S)o2)c1 409156777 UKZKOUVZQHMCPW-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N(CCc1ccccc1)Cc1ccccc1 5563046 HVWAMRAUOLFBNM-LEWJYISDSA-N 365.473 4.149 0 40 FIAB CCc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1 4746997 BDLQGBDBBOBASJ-UHFFFAOYSA-N 362.882 4.103 0 40 FIAB COc1ccc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 15014052 BRTRUZRMMRHZTP-UHFFFAOYSA-N 369.852 4.081 0 40 FIAB CCCCNC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289658 ZTUBGMSBDFVFRX-UHFFFAOYSA-N 368.506 4.022 0 40 FIAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 7807511 SGJHSXXQRHHGKT-DQLDELGASA-N 364.489 4.025 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)COCC(F)(F)F)n2)cc1C 9113607 QYOQPMCFGKRPSS-UHFFFAOYSA-N 358.385 4.253 0 40 FIAB O=C(O)c1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 19796835 DIWLNRPIEXKIMJ-UHFFFAOYSA-N 360.413 4.458 0 40 FIAB Cc1c(Cl)cccc1Nc1nnc(S[C@@H]2C[C@H](C)OC2=O)s1 9376085 ZSEUMVHTKQMOFF-WRWORJQWSA-N 355.872 4.040 0 40 FIAB C[C@H](c1ccc(F)c(F)c1)[S@@](=O)c1cc2c(cc1Cl)OCCO2 97011066 UUCVYRXMIAZVFS-WBNWAKSLSA-N 358.793 4.258 0 40 FIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCCCOC(C)C)cc2s1 9484699 WCFMDINKVRBMGL-UHFFFAOYSA-N 371.506 4.249 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3ccc4ccccc4n23)c1C 19862600 ZMBCJMDRFWUDKG-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB O=C(NCCCOC1CCCCC1)Nc1cnc(-c2ccccc2)nc1 72274542 UEAGRDKOYPOHRK-UHFFFAOYSA-N 354.454 4.005 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)cc1 408628077 SQORJYCXIVJCII-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB O=S(=O)(c1ccccc1-c1ccccc1)N(CC(F)(F)F)C1CC1 95954752 BXHWXRRFQVNPRK-UHFFFAOYSA-N 355.381 4.069 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccccc3C)C2=O)cc1 409237051 VJGCOAUKJMJTOK-XSFVSMFZSA-N 371.440 4.187 0 40 FIAB Cc1cc2nc([C@H]3CCCN(Cc4ccco4)C3)cc(C(F)(F)F)n2n1 72340867 YNQLZQQNFWVGKI-ZDUSSCGKSA-N 364.371 4.029 0 40 FIAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 219023826 BOMRVXPAEQXYFJ-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB COc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44905012 YITMOAJHUPAYLE-UHFFFAOYSA-N 372.468 4.188 0 40 FIAB CCCOc1ccccc1CCCNC(=O)COc1cccc(Cl)c1 222770169 NUAPNCJRVJKKGH-UHFFFAOYSA-N 361.869 4.257 0 40 FIAB Cc1ccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C 224259526 MPWFTSDBRXQARK-UHFFFAOYSA-N 361.869 4.148 0 40 FIAB COC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1F 222791019 NZPUDYDKYLAJQK-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB CCOc1ccc(CCCNC(=O)Cc2cc(C)ccc2C)cc1OC 44881044 DQICSPCWSNKAFU-UHFFFAOYSA-N 355.478 4.002 0 40 FIAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 223421547 RVTUHRQJXFUQJK-CYBMUJFWSA-N 373.324 4.427 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCc2ccccc2)CO3)s1 96047857 QBVIBMMRHXUEFK-LJQANCHMSA-N 357.519 4.397 0 40 FIAB COc1ccc(CN2CCC[C@]23CCCN(Cc2ccccc2)C3)cc1F 96214668 NOQLDHLYGVSDET-QHCPKHFHSA-N 368.496 4.465 0 40 FIAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(O)c4)OCC[C@@]31C2 257249205 JHHJTEHXDWJYEJ-GPPVHMAASA-N 357.494 4.047 0 40 FIAB CC(C)Oc1ccc(CNC(=O)c2ocnc2C2CC2)c(C(F)(F)F)c1 585083808 SKUWEYCJCYZXCG-UHFFFAOYSA-N 368.355 4.288 0 40 FIAB CCN(C(=O)Cc1ccc(N[C@@H]2COC3(CCC3)C2)cc1)c1ccccc1 657958530 AAKVYFRBTTVZSP-FQEVSTJZSA-N 364.489 4.406 0 40 FIAB CC1(C)[C@H](CNC(=O)c2ccccc2-c2ccccc2C(=O)O)C1(F)F 659223955 YMCFPCHVGQUXBE-INIZCTEOSA-N 359.372 4.073 0 40 FIAB CC(C)(c1ccc(OC(F)(F)F)cc1)c1noc(Cc2cscn2)n1 664860039 UXAWPZAFIFNQOF-UHFFFAOYSA-N 369.368 4.341 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccc2ncsc2c1 1775968599 GMEBFMFVFONLSO-ZDUSSCGKSA-N 370.455 4.081 0 40 FIAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccccc2F)o1 53216550 KUUKDFNUPWKBAP-UHFFFAOYSA-N 351.337 4.418 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(OC[C@@H]2CCCO2)c1 55652772 NWZRUWITGGACHR-HNNXBMFYSA-N 373.474 4.216 0 40 FIAB Cc1nn(C)c2sc(C(=O)Nc3ccc(N4CCC(C)CC4)cc3)cc12 65489487 GWOOZXWBNTYIFG-UHFFFAOYSA-N 368.506 4.432 0 40 FIAB Cc1nc(N2CCC[C@@H](c3nc4ccccc4o3)C2)cc(C(F)(F)F)n1 642326709 NBOLUQBDLRPVOJ-GFCCVEGCSA-N 362.355 4.329 0 40 FIAB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c2ccccc12 5513393 GGLPLZILUCNVFY-TZIWHRDSSA-N 372.424 4.018 0 40 FIAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 13084733 GBQLUIUBTKMQGP-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB Cc1ccc(C[C@@H]2SC(=O)[C@@H](Cc3ccc(C)cc3)SC2=O)cc1 16661740 GJHSVDMBPUEPNR-HDICACEKSA-N 356.512 4.359 0 40 FIAB Cc1ccc(C(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc1 19135596 WWGWYVKZAYSQAR-CYBMUJFWSA-N 361.367 4.182 0 40 FIAB Cc1ccc2c(CN(Cc3ccccn3)C[C@@H]3CCCO3)c(C)n(C)c2c1 19717612 ZKOSHYWYYQUCLB-FQEVSTJZSA-N 363.505 4.371 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@]5(C(C)=O)O[C@@H]5[C@@]4(C)CC[C@@H]32)C1 222022699 GWZAVXCYXHGFFE-QHKUYLHMSA-N 372.505 4.217 0 40 FIAB COc1ccccc1OCCC(=O)Nc1ccc2nc(SC)sc2c1 14501242 DNYOLHPXDHHHCW-UHFFFAOYSA-N 374.487 4.434 0 40 FIAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nc2ccccc2s1 23391712 VDZXSSPYKNJUJC-LLVKDONJSA-N 361.417 4.477 0 40 FIAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccccc3Cl)cccc2c1 26112152 USIFOQFHWPMJDE-UHFFFAOYSA-N 360.866 4.017 0 40 FIAB O=C(Cc1ccccc1)N[C@@H]1C[C@H](c2ccc(F)c(F)c2)O[C@@H]2CCC[C@@H]12 2037844598 ZAHOKILJOMDQTE-LLUDDFSJSA-N 371.427 4.322 0 40 FIAB COc1ccc(Cl)c2sc(NS(=O)(=O)c3ccc(C)cc3)nc12 8864624 QNSWWRHLDNSFAD-UHFFFAOYSA-N 368.867 4.068 0 40 FIAB CC(C)C(=O)N1CCc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2C1 9035830 XYUABWJEWJWKBV-UHFFFAOYSA-N 374.843 4.272 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cc1Cl 17120683 RJQSGFILKLNHCC-UHFFFAOYSA-N 365.886 4.271 0 40 FIAB CSc1ccc(C(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1775969223 CUQLVKIRPLMFHK-INIZCTEOSA-N 356.491 4.043 0 40 FIAB COc1ccc(-c2csc3c(=O)n(Cc4ccccc4F)cnc23)cc1 23126644 BDQHPONRFMDIOE-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccc(O)c3)C[C@@H]21 227486936 GLPQSXIHKBSCBM-UGKGYDQZSA-N 373.412 4.038 0 40 FIAB Fc1cccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)c1 9622862 PJALNEUKNKIAMC-UHFFFAOYSA-N 374.423 4.298 0 40 FIAB O=C1C[C@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(F)cc1 9318129 PKRXUANONKHENC-LBPRGKRZSA-N 357.772 4.050 0 40 FIAB O=C1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)c2ccccc2N1 40009605 FSUHWEFQYAVIAS-UHFFFAOYSA-N 352.390 4.153 0 40 FIAB CSc1ccc(CN(C)C(=O)Nc2ccccc2N2CCCC2=O)cc1 40104205 XOBQLMQHXDEWCL-UHFFFAOYSA-N 369.490 4.199 0 40 FIAB O=c1ccc(-c2ccc(Cl)cc2)nn1[C@@H]1CCc2ccccc2N=C1O 40268145 KMVDEZCGRFTOOA-GOSISDBHSA-N 365.820 4.339 0 40 FIAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn2[C@@H]1c1cccs1 101251446 FWFUTUAJDPDNBH-SFHVURJKSA-N 357.442 4.458 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)c1 663955 SXJFTXHBMJXXQC-UHFFFAOYSA-N 370.453 4.062 0 40 FIAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1Cc1ccccc1 899759 VAILNXGJCFCPHQ-UHFFFAOYSA-N 372.881 4.019 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1)c1ccc(F)cc1 1369220 TXKYRDMQRWROAR-SFTDATJTSA-N 352.453 4.141 0 40 FIAB Cc1cc(C)cc(NC(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1 1380763 MPWYWUGDLVZOFE-UHFFFAOYSA-N 367.428 4.056 0 40 FIAB Cc1cccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4)nc32)c1 2434715 ODZWKUNJLBYPLX-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1ccccc1-n1cnnc1SCCOc1c(C)cccc1C 2628398 SMVDZVZQSPEHHC-UHFFFAOYSA-N 355.463 4.064 0 40 FIAB O=C(Nc1cccc2ccccc12)c1ccn(COc2ccccc2F)n1 2786756 DLTMMIORUKMWLE-UHFFFAOYSA-N 361.376 4.464 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)OCc1nnc(-c2ccccc2)o1 3279445 ZPCCXUYSAWZHNR-UHFFFAOYSA-N 374.396 4.257 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2[nH]1 3343215 NUNIVYLFLNXYNE-LLVKDONJSA-N 357.866 4.286 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc2ccccc12 3525226 ZTXWZSHMHURHEL-QGZVFWFLSA-N 361.441 4.134 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1 4119823 BKMVJNOCUXMJOR-UHFFFAOYSA-N 364.392 4.451 0 40 FIAB Cc1sc2nc([C@H](C)OC(=O)c3cc4ccccc4[nH]3)[nH]c(=O)c2c1C 4492731 BOQXLTALCIWKPK-JTQLQIEISA-N 367.430 4.001 0 40 FIAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(-c3ccco3)o2)c1 4828339 UARCQYJTKHELGI-UHFFFAOYSA-N 366.345 4.214 0 40 FIAB O=c1nc(SCc2ccccc2Cl)c2c(n1Cc1ccco1)CCC2 4940130 RYIAZXAEPBXBLM-UHFFFAOYSA-N 372.877 4.319 0 40 FIAB CCN(CC)C(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)ccc3CC[C@@H]21 5023973 VKVVOFVFODCHHI-MDNUFGMLSA-N 371.521 4.491 0 40 FIAB COc1ccc(-c2nc(NC(=O)Cc3ccc(F)cc3)sc2C)cc1 5268404 JVQPSGNMLWDYIE-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 6592884 MIPAMMQKZSLRGW-UHFFFAOYSA-N 369.490 4.169 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6958863 WEHKMIACFPLVLN-QFBILLFUSA-N 366.461 4.282 0 40 FIAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)O)o1 7365676 MJUIUQKPDSYLDY-SXGWCWSVSA-N 373.409 4.142 0 40 FIAB Cc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 7602661 UJVDFPIBZYUJOA-UHFFFAOYSA-N 360.870 4.225 0 40 FIAB NC(=O)c1cc(Cl)ccc1OCc1csc(-c2ccsc2)n1 7773738 FLADCGIJXNMYHP-UHFFFAOYSA-N 350.852 4.203 0 40 FIAB COc1ccc2nc(SCC(=O)N(C3=CCCCC3)C3CC3)[nH]c2c1 8345121 GXQTWAKVGDGQNA-UHFFFAOYSA-N 357.479 4.113 0 40 FIAB CCOc1cc2c(cc1OCC)CN(C(=O)c1cc3c(s1)CCC3)CC2 8388564 VZGJCNNORWNKQL-UHFFFAOYSA-N 371.502 4.233 0 40 FIAB COc1cccc(-c2nn3c(CSc4ccccc4)nnc3s2)c1 8393146 WPPRTDQJILOOSV-UHFFFAOYSA-N 354.460 4.154 0 40 FIAB Cn1c(SCc2csc(-c3ccsc3)n2)nnc1-c1cccnc1 8772437 QTFCECIYPRCCNC-UHFFFAOYSA-N 371.516 4.354 0 40 FIAB Fc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 10184334 JZGXJYZAVBZDCO-UHFFFAOYSA-N 354.454 4.278 0 40 FIAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc4c(c3)C[C@@H](C)O4)S2)cc1 10299404 IWDCTUCFSWKEPZ-VBEHJTROSA-N 350.443 4.401 0 40 FIAB CC(C)(CN1CCCCC1)CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 12293131 HUVFVNHPKPNYQK-LIMIJEPZSA-N 374.544 4.152 0 40 FIAB Cc1ccc(C)c(OCCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 13010854 YICZCFFVRGIREY-UHFFFAOYSA-N 352.438 4.037 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3nc4c(s3)CCC4)cc(C3CC3)nc21 13017829 GITYKAVFNQFPNK-UHFFFAOYSA-N 367.478 4.087 0 40 FIAB CCN1CCN(c2ccccc2NC(=O)Cc2ccc3ccccc3c2)CC1 15480147 UXUSDVSGCYJMAW-UHFFFAOYSA-N 373.500 4.163 0 40 FIAB Cc1cc(C)c2nc(C)c(C(=O)NCCCn3ccnc3C(C)C)cc2c1 19715326 QCMDTDAJPUIFFM-UHFFFAOYSA-N 364.493 4.300 0 40 FIAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc3[nH]c(Cc4ccccc4)nc3c2)n1 19716891 MELPMXPFSUMZKS-INIZCTEOSA-N 373.460 4.167 0 40 FIAB Cc1cc(OCCN2C(=O)NC3(CCCCCC3)C2=O)ccc1C(C)C 22704260 ZTIIHMBQWXZMGU-UHFFFAOYSA-N 358.482 4.142 0 40 FIAB O=C(COc1ccccc1F)OCc1cc(-c2cc3ccccc3o2)on1 22769044 VGKLIVPFJAFWFK-UHFFFAOYSA-N 367.332 4.349 0 40 FIAB O=C(Nc1nnc(-c2ccco2)o1)C1c2ccccc2Oc2ccccc21 23156662 LCAQSHWMWNAUPC-UHFFFAOYSA-N 359.341 4.206 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)NCCCOCc1ccccc1 25840975 CSNHTPMQVZCRGI-VAWYXSNFSA-N 361.388 4.024 0 40 FIAB COc1ccccc1C(=O)Nc1ccn(Cc2cccc3ccccc23)n1 28303482 QKDDOHQYVFCUJF-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1OC 30860510 MIYXWUWWSSCPIX-HUUCEWRRSA-N 359.491 4.203 0 40 FIAB Cc1ccc(OCCCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462529 ZKDNZKLQXBAMEE-UHFFFAOYSA-N 366.505 4.066 0 40 FIAB CCOc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32609664 SOZKBBNTMQXSPC-UHFFFAOYSA-N 373.815 4.375 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCc1ccc2c(c1)OCO2 32845826 SMYNVCXXJZXMIS-ZDUSSCGKSA-N 368.458 4.177 0 40 FIAB Cc1ccc2c(c1)ncn2C1CCN(C(=O)Nc2ccccc2F)CC1 35315874 VHBLJKBRPYMYRE-UHFFFAOYSA-N 352.413 4.353 0 40 FIAB O=C(CNc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1c1cccs1 40007910 IIJHWGAHJSHBIX-CQSZACIVSA-N 370.396 4.422 0 40 FIAB CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccncc1 40068925 RHFBHNGAQSFFAM-APWZRJJASA-N 368.477 4.368 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2cccs2)c(Br)c1 40141243 STYBKIBVNIJARZ-RYUDHWBXSA-N 368.296 4.464 0 40 FIAB CCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2C2CCCCC2)cc1 47398172 WNXYNVXPSZHZST-GOSISDBHSA-N 364.511 4.057 0 40 FIAB Cc1ccc(-c2cc(C(=O)OCc3noc(-c4ccc(C)cc4)n3)[nH]n2)cc1 48237963 OSBAUDVBGCAVRJ-UHFFFAOYSA-N 374.400 4.101 0 40 FIAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(Cc1ccco1)C3 54313261 NAKYUXFPRBOYIT-UHFFFAOYSA-N 359.381 4.405 0 40 FIAB biogenic O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc2ccccc2n1 58201771 MRXMSOBVPTXDLK-UHFFFAOYSA-N 360.417 4.115 0 40 FIAB CC[C@H](C)n1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1 58208628 ITGPBWQJLSEYSY-LBPRGKRZSA-N 373.507 4.103 0 40 FIAB CCc1sc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)cc1C 60127680 KDCZKDFBNUMZHW-ZDUSSCGKSA-N 357.397 4.101 0 40 FIAB C[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1cccc(Cl)c1 62582094 JGGMIOXCTCHLOX-AWEZNQCLSA-N 371.868 4.345 0 40 FIAB CC(=O)N(C)Cc1ccccc1NCc1cc2ccccc2nc1Cl 71804907 JBXWVKGUBORUBH-UHFFFAOYSA-N 353.853 4.479 0 40 FIAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Nc2c(C)nn(C(C)C)c2C)C1 72277762 PENRFRCKWYTOQB-QGZVFWFLSA-N 363.550 4.103 0 40 FIAB O=C(c1cc[nH]n1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72358069 AQVDDWUSGQESAP-LJQANCHMSA-N 366.852 4.026 0 40 FIAB O=C(C1CCCC1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 72378336 QBPFFINRTXFMFD-HXUWFJFHSA-N 371.456 4.024 0 40 FIAB CC(C)C[C@H](C(=O)Nc1cccc2[nH]ccc12)N1Cc2ccccc2C1=O 72402611 KACDYNZGEBSQKD-HXUWFJFHSA-N 361.445 4.177 0 40 FIAB biogenic C[C@H](c1ccccc1)N1CC[C@H](NCC2(c3ccccc3)CCOCC2)C1 75093168 JAEVPYZXJAIERU-OFNKIYASSA-N 364.533 4.160 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cc1 75157167 GTODILWGOJMPGV-UHFFFAOYSA-N 365.520 4.105 0 40 FIAB Cc1ccc2nc3c(c(C(=O)N(C)Cc4c(C)noc4C)c2c1)CCCC3 75645987 DMFGZINZJWSIDH-UHFFFAOYSA-N 363.461 4.299 0 40 FIAB Cc1csc(C2(NC(=O)c3ccc(-c4nnc(C)o4)cc3)CCCC2)n1 76059497 PGKFKRVPKBUCIW-UHFFFAOYSA-N 368.462 4.009 0 40 FIAB Cc1nc(NC(=O)CN(C)c2nc3c(Cl)cccc3s2)sc1C 77196782 LLXUFVFCHRTTCY-UHFFFAOYSA-N 366.899 4.098 0 40 FIAB Cc1ccc2sc(CCNC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)nc2c1 79053766 QCKGXZANHLUZKH-CHWSQXEVSA-N 372.440 4.345 0 40 FIAB Cc1ccn2ncc(C(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)c2n1 84839029 PZXCWHJUDDBHPR-TZZQJPOUSA-N 360.461 4.136 0 40 FIAB C[C@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1n1ccnc1 89930002 MCKROGIYCHBFCP-YOEHRIQHSA-N 356.857 4.275 0 40 FIAB Cn1nccc1C(=O)N(c1cccc(Br)c1)C1CCCCC1 95960741 MQMMQCODISVJIV-UHFFFAOYSA-N 362.271 4.162 0 40 FIAB COc1cc(O)cc(NC(=O)c2ccc(Br)cc2Cl)c1 96004064 AOIRONWDYAFXMI-UHFFFAOYSA-N 356.603 4.069 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Oc1ccc(C(=O)Nc2cccnc2)cc1 107344100 JICCEVXAGDGHPX-BHYGNILZSA-N 350.418 4.066 0 40 FIAB O=C(NCc1cccs1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219338672 IVOFDXABKZXPBV-INIZCTEOSA-N 368.474 4.416 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1 222663053 VQDCEHZYJGGQIC-KRWDZBQOSA-N 355.503 4.032 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccco2)ccc1Cl 222842286 ZOIGZJFRLOWILV-ZDUSSCGKSA-N 353.871 4.058 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1Cl 222853533 ZZIODNRKESRUFG-AWEZNQCLSA-N 372.852 4.181 0 40 FIAB CC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccc(OC)c(C)c1 225512807 CZHGCGGSMSQFFY-SFHVURJKSA-N 361.507 4.358 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2c(F)cccc2F)cc1 225622512 MHEHADVVIAEZTO-UHFFFAOYSA-N 350.434 4.283 0 40 FIAB Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)c(Cl)c1 226238546 CMLHMTMEFKCPPV-UHFFFAOYSA-N 355.850 4.202 0 40 FIAB COC(=O)c1cc(C)c(OC(=O)c2ccc(Br)cc2)c(C)c1 256051636 JYXSVRKEDCGYNF-UHFFFAOYSA-N 363.207 4.072 0 40 FIAB CC(C(=O)N1CCC[C@H](c2cnccn2)C1)(c1ccccc1)c1ccccc1 257273523 NGYUGYPABWQERH-IBGZPJMESA-N 371.484 4.189 0 40 FIAB Cc1c(OCC(=O)Nc2ccc(C(C)C)cc2)c(=O)ccn1CCC(C)C 524734696 DTESNJOGLDDMEG-UHFFFAOYSA-N 370.493 4.344 0 40 FIAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@H](c3ccccc3C)C[C@H]2C)c1 565105829 OCBGAKJHVIAQTK-QLVMHMETSA-N 369.461 4.016 0 40 FIAB C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)c1nc[nH]c2nccc1-2 1151860177 ZOLPFXCDWJMBJO-GOSISDBHSA-N 374.366 4.080 0 40 FIAB C[C@@H]1[C@H](c2ccc(F)c(F)c2)CCN1[C@@H](C(=O)O)c1ccc(F)c(F)c1 1776589216 ROJJFEVOTVDMPL-AJAPIDPKSA-N 367.342 4.247 0 40 FIAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(Br)o1 676398 IJQWOIOCQFWXMU-UHFFFAOYSA-N 373.659 4.131 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1OCC 936336 ZYVOOYSESWILIC-XYOKQWHBSA-N 371.433 4.153 0 40 FIAB CCOc1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1 997383 FCTZOCRGXZJYOL-UHFFFAOYSA-N 356.447 4.329 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)cc4)no3)C2)cc1 1363518 QLNYFZHXAADKKL-LJQANCHMSA-N 361.445 4.373 0 40 FIAB CCN(C(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)c1cccc2ccccc12 1448534 VRTSUUDOEBKXND-YADHBBJMSA-N 351.446 4.315 0 40 FIAB Cc1cc2oc(=O)cc(CN3CCC(Cc4ccccc4)CC3)c2cc1O 2158225 BFARNBHSGHICRR-UHFFFAOYSA-N 363.457 4.262 0 40 FIAB biogenic Cc1ccc([C@@H](O)[P@](=O)(OCC(C)C)c2ccc(N(C)C)cc2)cc1 2399255 COQSVVQACJIPSF-NBGIEHNGSA-N 361.422 4.328 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1 3108247 INWGMFZINOMXHO-UHFFFAOYSA-N 362.451 4.059 0 40 FIAB COc1ccc(CNc2nc(C)nc3sc4c(c23)CCC4)cc1OC 3221915 XQYYSFVYUYVEJY-UHFFFAOYSA-N 355.463 4.118 0 40 FIAB O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccc(F)cc1 3229898 YTWWRHJBPZTMKS-UHFFFAOYSA-N 364.372 4.444 0 40 FIAB O=C(Nc1ccc(I)cc1)c1ccc2ccccc2n1 3431898 ZRSTWMDGPAFRLC-UHFFFAOYSA-N 374.181 4.092 0 40 FIAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)c(C)c1 4272734 TXYWSFGMLFGYFK-UHFFFAOYSA-N 372.476 4.378 0 40 FIAB Cc1c(Cl)ccc2c(C(=O)N3CCOCC3)cc(-c3cccs3)nc12 4554461 VCOVTVLAYIRKJB-UHFFFAOYSA-N 372.877 4.398 0 40 FIAB COc1ccccc1[C@H](CCN[C@H]1C[C@H](C)N(C)C[C@H]1C)c1ccco1 5478519 IRQFLDPUVMQMKX-UMGGQSCQSA-N 356.510 4.129 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 5488730 IOQJJLBSGOLPOC-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB Cc1cccc(Cn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)c1 5545995 IFSMEHUDONRPAF-UHFFFAOYSA-N 363.505 4.488 0 40 FIAB CCOc1ccc(OCCSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 6141543 FCOFLYDIWMXQNV-UHFFFAOYSA-N 371.462 4.050 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccccc1Br 6583643 NBWBULDACNOJPT-ZHACJKMWSA-N 362.223 4.118 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 6595062 FNUPSIFAAOXWNH-UHFFFAOYSA-N 372.538 4.021 0 40 FIAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 6887204 IGJMKTZWZXHVRK-UHFFFAOYSA-N 370.257 4.267 0 40 FIAB CN(C)c1ccc(/C=C/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6948680 SESXAFDHWWVUNV-FKKWJZCKSA-N 367.836 4.060 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)o1 7194230 RFRUDUZOQIQTBI-NSHDSACASA-N 353.403 4.483 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1 7398265 YFGSCNZCRQGTLR-AWEZNQCLSA-N 357.450 4.407 0 40 FIAB COc1ccc(CCNC(=S)Nc2ccc(C)c(Cl)c2)cc1OC 7520945 IEARYPHWUBOPHM-UHFFFAOYSA-N 364.898 4.195 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(C)cc2)CC1=O 7928201 UBIOPRBYXOAGFM-GOSISDBHSA-N 350.462 4.111 0 40 FIAB CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cc(C)ccc1C 8666613 UMSXZOXXWUFMKP-UHFFFAOYSA-N 364.445 4.097 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8862967 VGMNFWUTOCGKIC-IBGZPJMESA-N 358.507 4.104 0 40 FIAB CCC(C)(C)c1nnc(NC(=O)c2ccccc2SCCOC)s1 9095502 TWEUSHLNTLKYIQ-UHFFFAOYSA-N 365.524 4.217 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1 9365291 PFEFKWUHIPEZQW-GFCCVEGCSA-N 364.367 4.084 0 40 FIAB O=C(CCNC(=O)c1ccccc1)Nc1ccccc1-c1cccs1 9494756 VDKQUDRDUFFVQH-UHFFFAOYSA-N 350.443 4.174 0 40 FIAB CCn1c(SCC(=O)c2ccc(F)cc2F)nnc1-c1cccs1 9721155 WVHUBKVCLIROPN-UHFFFAOYSA-N 365.430 4.280 0 40 FIAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 10042796 YLPCMJVAYZHBPJ-HNNXBMFYSA-N 372.472 4.309 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 10542499 OGWXCRJUZLDTRF-NSHDSACASA-N 354.233 4.199 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(SC(F)F)cc1 10994218 MAAOWKUTAYPBEU-UHFFFAOYSA-N 366.389 4.221 0 40 FIAB C[C@H](NC(=O)CSc1nccn1C)c1ccc(-c2ccccc2)cc1 12576976 VKKAQTAJYBEXNP-HNNXBMFYSA-N 351.475 4.057 0 40 FIAB Cc1cc(C(=O)N[C@@H](Cc2nc3ccccc3n2C)c2ccccc2)c(C)o1 12628740 ZMFADCLKSWTWQP-FQEVSTJZSA-N 373.456 4.497 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)[C@@H]1CC=CCC1 12739167 LHFJKQPLACMYOG-UXHICEINSA-N 373.456 4.493 0 40 FIAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(C(C)C)cc3)CC2=O)c1 12844086 SANNTACFTTTXOI-GOSISDBHSA-N 350.462 4.418 0 40 FIAB COc1ccc(-c2cc(CC(=O)Nc3cccc(Cl)c3)no2)cc1OC 12867956 JLRNVQBYJICSCT-UHFFFAOYSA-N 372.808 4.193 0 40 FIAB Cc1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 13830113 ZVOSIPXOZUAQQN-UHFFFAOYSA-N 359.926 4.476 0 40 FIAB CCc1ccc(-c2noc(C[C@](O)(c3ccc(C)o3)C(F)(F)F)n2)cc1 14241863 QAALWFIGNVMKDE-KRWDZBQOSA-N 366.339 4.193 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC[C@@H](C)C3)cc12 16641975 PQCAFQHFQNYINV-GFCCVEGCSA-N 357.454 4.407 0 40 FIAB O=C(/C=C\c1ccco1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 17169595 ITTCRBACUKYENU-FPLPWBNLSA-N 355.394 4.003 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 17916092 DTXYMRYBDCJQPW-VXGBXAGGSA-N 366.230 4.233 0 40 FIAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 18151095 VIXVYKMLENPMIN-UHFFFAOYSA-N 372.896 4.135 0 40 FIAB COc1ccc(CN2CCCCC[C@H]2c2cc(C)on2)c(OC)c1OC 19119402 ALYNWEOLOLLCOH-KRWDZBQOSA-N 360.454 4.126 0 40 FIAB COc1cccc(CN[C@@H](Cc2cccs2)c2nccs2)c1OC 19568122 AZNVDZHENRHWMO-HNNXBMFYSA-N 360.504 4.295 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC 20488939 CDSFDPQROZNWLO-QWHCGFSZSA-N 363.841 4.002 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 22638108 DBULDKUHMYADSF-UHFFFAOYSA-N 374.396 4.371 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nc(C)c(-c2ccccn2)s1 23497768 OMCOJNGIJWDBGP-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1csc2c1CCCC2 27140177 ZLCVKTASACTWQG-UHFFFAOYSA-N 354.519 4.153 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1ccc(Br)c2cccnc12 27930500 BOHQUCBLIUMAHG-UHFFFAOYSA-N 359.198 4.318 0 40 FIAB O=C(CSCCc1ccccc1)Nc1cccc(Br)c1 31553578 ZVJPKTSBAMVSKE-UHFFFAOYSA-N 350.281 4.364 0 40 FIAB Cc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1Cl 32118851 OPGDTMSSCUBHRN-UHFFFAOYSA-N 362.926 4.077 0 40 FIAB c1cncc(-c2nc(NCCc3ccc4c(c3)OCO4)c3ccccc3n2)c1 32743551 AIMWDFKSQKLJEQ-UHFFFAOYSA-N 370.412 4.075 0 40 FIAB Oc1nc(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc12 32752744 XEBXNGUHSWXFME-UHFFFAOYSA-N 370.821 4.331 0 40 FIAB O=C(CSc1cccs1)Nc1ccnn1Cc1ccccc1Cl 32809958 WBSCOIYZGDTZOM-UHFFFAOYSA-N 363.895 4.377 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@@H](C)CCc2ccccc2)c1 32862653 XJYHNEQCBBQBDE-JKSUJKDBSA-N 356.466 4.085 0 40 FIAB Cc1nc2ccccc2n1CCCNC(=O)c1cc2ccccc2cc1O 36660789 ZOJKNHZSDSNKEY-UHFFFAOYSA-N 359.429 4.024 0 40 FIAB Cc1noc([C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n1 37149642 NBEYWGNJQOQSLN-SECBINFHSA-N 364.858 4.176 0 40 FIAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc(-c2cccnc2)n1 49007070 YFHXVOGQAVJZJW-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB C[C@H](CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccc(F)cc1 58197149 FCLUKRPVWPKJAF-MRXNPFEDSA-N 374.500 4.007 0 40 FIAB O=C(CN1CCC[C@H]1c1ccc(O)cc1)Nc1ccccc1C(F)(F)F 58365308 SPKGKVZKYJFECL-KRWDZBQOSA-N 364.367 4.187 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2n[nH]c3ccccc23)cc1 58420865 JKNPAYUDJWDCAM-NRFANRHFSA-N 363.461 4.258 0 40 FIAB CC(=O)Nc1cc(NC(=O)c2csc(-c3ccccn3)n2)ccc1Cl 61622781 YPOHSZBDAIIRFI-UHFFFAOYSA-N 372.837 4.069 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1NCCc1cccs1)N1CCCC1 67288289 SIUPDYKFGIUPIH-UHFFFAOYSA-N 369.465 4.326 0 40 FIAB Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1 68339467 KQFBRUJHGNJUGB-IBGZPJMESA-N 364.424 4.287 0 40 FIAB COc1cc(NC(=O)N2CCC[C@H]2C2CCCC2)ccc1N1CCCC1=O 69902378 GRIQSXLNAOIAHM-KRWDZBQOSA-N 371.481 4.009 0 40 FIAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4cccc5ccccc45)oc3c2)C1 70461306 KSGRQZAMSSTJHQ-CQSZACIVSA-N 372.380 4.086 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3ncccc3c2)cc1 72221797 COFPAVPYIDROKF-FQEVSTJZSA-N 352.459 4.069 0 40 FIAB Cc1cc2nc([C@@H]3CCCN(Cc4ccco4)C3)cc(C(F)(F)F)n2n1 72340866 YNQLZQQNFWVGKI-CYBMUJFWSA-N 364.371 4.029 0 40 FIAB Cn1ccnc1CN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349998 YNGXOIJDJMRCFH-INIZCTEOSA-N 350.441 4.001 0 40 FIAB Cc1cc(OC(F)F)c(C(=O)NC2CCN(CC3CCCC3)CC2)s1 72571131 RJZRCENVCURLBX-UHFFFAOYSA-N 372.481 4.042 0 40 FIAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCCCCCC1 72752496 LKVFXHYBIORELH-UHFFFAOYSA-N 352.463 4.160 0 40 FIAB Cc1nc(S(=O)(=O)Cc2ncc(C(C)C)o2)n(C2CCCCC2)c1C 79062999 XHSBPSJWOSWNTL-UHFFFAOYSA-N 365.499 4.090 0 40 FIAB O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cc2c(s1)CCOC2 95994012 SJUNJKXHJSDKPS-INIZCTEOSA-N 369.408 4.114 0 40 FIAB CN(C)C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 96997353 KSEJGYKHLHOGMF-INIZCTEOSA-N 352.265 4.418 0 40 FIAB Cn1cnnc1-c1ccc(NCc2cccc(OCc3ccccc3)c2)nc1 97162794 URRLTPBFYFUCRE-UHFFFAOYSA-N 371.444 4.068 0 40 FIAB Fc1ccccc1[C@@H]1C=C(c2cccc(Br)c2)Nc2ncnn21 101100318 LUWDGXOGUQDDEY-INIZCTEOSA-N 371.213 4.236 0 40 FIAB C[C@@H]1[C@@H](NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)CCC[C@H]1C 104719917 VHFLSBZEFVWDAS-WSVPHBERSA-N 374.569 4.040 0 40 FIAB CC(=O)c1ccc(NCc2nnc(-c3cccc(Br)c3)o2)cc1 132648351 DPXHNKDRZHAVSD-UHFFFAOYSA-N 372.222 4.314 0 40 FIAB Cc1ccc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 194743507 JCBJAQPIBVUFDG-HIFRSBDPSA-N 371.289 4.485 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222839171 KUNHCDGVBNHLGV-UXHICEINSA-N 362.502 4.253 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 223788891 FBHXTVYVBBGCOY-HNNXBMFYSA-N 361.869 4.426 0 40 FIAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1c(Cl)cccc1Cl 225167097 PNTNRTUFQFMPTC-LLVKDONJSA-N 374.289 4.183 0 40 FIAB COC(=O)c1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 226236298 MLLGHMIHKPCNTP-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB CN(C)c1nc(CSCc2cc(F)c(C(F)(F)F)cc2F)ns1 520647249 NDMXXBSZDXQYSD-UHFFFAOYSA-N 369.384 4.335 0 40 FIAB CN(Cc1cccc(O)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F 524973288 RZLMNKHIGUDXLD-CVEARBPZSA-N 365.351 4.053 0 40 FIAB COC(=O)c1ccc(C(=O)N[C@H](C)Cc2csc3ccccc23)cc1 575621756 SXXBUARZUIUDQW-CYBMUJFWSA-N 353.443 4.049 0 40 FIAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(C(F)(F)F)cc1 585300007 GAVSDTVZAJXJJP-UHFFFAOYSA-N 363.383 4.087 0 40 FIAB FC(F)(F)c1ccc(Cl)c(OCc2nnc([C@@H]3CCCOC3)o2)c1 643635314 CEDJQSJMJDMSKV-SECBINFHSA-N 362.735 4.215 0 40 FIAB Cc1ccc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CO[C@@H](C)C3)c2c1 1585363427 ZWILMWDZTFXCDJ-KBPBESRZSA-N 352.459 4.179 0 40 FIAB Cc1ccc(/N=c2\oc3c(O)cc(C(C)(C)C)cc3cc2C(N)=O)cc1 2087178718 JDQAIOHURSHECM-ATJXCDBQSA-N 350.418 4.076 0 40 FIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1F 8279735 VURYMDMAXFCUIB-OAHLLOKOSA-N 358.457 4.417 0 40 FIAB Nc1c(Br)cc2c(c1Br)C(=O)c1ccccc1-2 641272 WUNKHQHTMBFRQZ-UHFFFAOYSA-N 353.013 4.005 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1F)OCCO3 928341 UPQYEOBWTBHXLH-UHFFFAOYSA-N 369.417 4.429 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)N[C@H]4CCCC[C@@H]4C)sc3nc2c1 933898 GJAVYILJPXVOLZ-NHYWBVRUSA-N 369.490 4.349 0 40 FIAB Cc1nc2cc(-c3cccs3)nn2c(NCC(C)(C)CN(C)C)c1C 1341048 UGODZDORNQOVFI-UHFFFAOYSA-N 357.527 4.074 0 40 FIAB CCCCNC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 4966943 WIKXPIQJYAINGY-UHFFFAOYSA-N 351.475 4.305 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)oc2c1 6305050 PLWMEAADGBWHQO-UHFFFAOYSA-N 351.406 4.336 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 7382482 DZJQGNJTECSIBD-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB CCOc1ccc(OCC)c(Nc2nc3ccccc3c3nnc(C)n23)c1 7500035 DQAZGEVZRLWKIZ-UHFFFAOYSA-N 363.421 4.127 0 40 FIAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 10113768 NLYIWVNHPFYCQK-UHFFFAOYSA-N 366.486 4.265 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc2noc(-c3ccccc3)c2c1 8060246 KAWIVHCIUXJLMR-UHFFFAOYSA-N 358.353 4.476 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(Cl)cc1Cl 8493026 HCALRLUHABHMTF-OAHLLOKOSA-N 368.260 4.476 0 40 FIAB COc1cc(CNC[C@@H](C)O)ccc1OCc1c(Cl)cccc1Cl 8535073 KEGOPWOVZWKHDK-GFCCVEGCSA-N 370.276 4.051 0 40 FIAB Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cccc(Cl)c2)cc1 858361 QRZBWCUHTKKBNY-LJQANCHMSA-N 368.820 4.292 0 40 FIAB Cc1cc(I)ccc1NC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 100226231 VMSFOQJSTHLYQG-JHJVBQTASA-N 369.246 4.364 0 40 FIAB CCCc1sc(C(=O)OCc2csc(NC(C)=O)n2)cc1CC 24158910 GCVHICMWUIFXKE-UHFFFAOYSA-N 352.481 4.035 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cccs1)C1CCCC1 42985436 LFMPZEKTCHUVQT-IUODEOHRSA-N 352.500 4.009 0 40 FIAB Cc1ccc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 24424056 UALLUJXZDGCSMB-UHFFFAOYSA-N 352.246 4.320 0 40 FIAB CC(C)c1ccc(-c2nc3cc(N4C[C@@H](C(=O)O)CC4=O)ccc3o2)cc1 57327252 UUYWVQAOEGXPRE-HNNXBMFYSA-N 364.401 4.056 0 40 FIAB COc1ccccc1N1CCN(Cc2csc(-c3cccs3)n2)CC1 57331557 JKBCSSMLGKZYKY-UHFFFAOYSA-N 371.531 4.202 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c1OC(F)F 110509156 LZWLNHJJYCYJLW-RKAUPQIMSA-N 353.409 4.251 0 40 FIAB O=C(CCCSc1nc2ccccc2[nH]1)OCC(=O)c1ccc(F)cc1 12620685 ZMAZEOFFUUCHEG-UHFFFAOYSA-N 372.421 4.000 0 40 FIAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccccc1 3332038 ZHAUXWMQPIYKGH-UHFFFAOYSA-N 359.501 4.394 0 40 FIAB CCOc1ccc(C(=O)O[C@H](C)C(=O)c2cc(C)ccc2C)cc1OC 3435384 PLSVBZDUYDKNDZ-OAHLLOKOSA-N 356.418 4.139 0 40 FIAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(NC(C)=O)cc1 12975013 YZQZGIGAPFJYOB-UHFFFAOYSA-N 350.418 4.226 0 40 FIAB COc1ccc(CN(C)C(=O)CCCOc2ccc(Cl)c(C)c2)cc1 13096231 SXWGXWXNKPTSDK-UHFFFAOYSA-N 361.869 4.475 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 23688916 HKDZSRIKKSVZFH-KRWDZBQOSA-N 366.461 4.027 0 40 FIAB Cn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc21 6313397 VGJHEGOXPQFCNE-UHFFFAOYSA-N 367.518 4.493 0 40 FIAB O=C(OCc1c(F)cccc1Cl)C(O)(c1ccccc1)c1ccccc1 4547858 TWCFTLCPDKPZAK-UHFFFAOYSA-N 370.807 4.458 0 40 FIAB CCN(CCO)[C@H](C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 28713546 RVPWMLKHSGIZQE-KRWDZBQOSA-N 352.261 4.232 0 40 FIAB COc1cc(C(C)=O)ccc1OCCCN1CCCC[C@@H]1c1cccnc1 6624280 GBKABQYFPHCHBR-HXUWFJFHSA-N 368.477 4.289 0 40 FIAB biogenic CC(C)(C)NC/C=C(/Sc1nnnn1-c1ccccc1)c1ccccc1 6669986 CKUDSVRGAVWIRI-NBVRZTHBSA-N 365.506 4.184 0 40 FIAB Cc1ccc(/C=C2\C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)s1 5689343 XXNLWJRMBJRFAI-UNOMPAQXSA-N 360.438 4.175 0 40 FIAB COc1cc(NC(=O)Cc2ccc3c(c2)CCCC3)c(OC)cc1Cl 6882355 VMNPTRFSLRQUOZ-UHFFFAOYSA-N 359.853 4.417 0 40 FIAB C[C@H](Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)c1ccccc1 7109547 SWPZCAWERYILTD-ZDUSSCGKSA-N 373.503 4.355 0 40 FIAB CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 8988042 BMXJTJOACWCUNQ-UHFFFAOYSA-N 366.248 4.017 0 40 FIAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCCCCC1 8193112 JALYJVJFGXLLNW-UHFFFAOYSA-N 370.518 4.268 0 40 FIAB COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c(OC)cc1Cl 8132569 HKEXSNQIEORTFT-UHFFFAOYSA-N 369.870 4.083 0 40 FIAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)C(C)(C)C 408628936 YJTPOEFATYJVMU-UHFFFAOYSA-N 368.462 4.057 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c(C)c1 20144058 OEMSANAXIJVQQO-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB COc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1Br 23040634 VGWQLTOFRPVFCV-UHFFFAOYSA-N 362.267 4.347 0 40 FIAB Cc1ccc(CNC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1C 72333910 ANGILJIMAGMVOX-UHFFFAOYSA-N 366.244 4.083 0 40 FIAB Cc1ncc(Cl)c(C(=O)Nc2ccc(CNc3ccccc3)cc2)n1 75092714 ZDPYOCCQZKMYGS-UHFFFAOYSA-N 352.825 4.303 0 40 FIAB COc1ccc([C@@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1 79480220 CFSSHIUMJUEQJV-SFHVURJKSA-N 351.431 4.305 0 40 FIAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1scnc1C1CC1 89789282 QFRCYTBHWBXOCG-UHFFFAOYSA-N 362.882 4.110 0 40 FIAB O=C(COc1ccccc1F)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412214 PGEYEHIWRZLYJO-UHFFFAOYSA-N 371.408 4.333 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)c1 408614333 BATSZGUWSXEOPC-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3sccc3C)n2)cc1 72265240 UXEIJNNHZMLTHH-UHFFFAOYSA-N 358.488 4.161 0 40 FIAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@@H]1C[C@@]1(F)c1ccccc1 1543692978 VNVXDPRUTWZADO-MGPUTAFESA-N 371.362 4.189 0 40 FIAB C[C@@H](SCc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1F 32778903 RIDDSYIXMCXYKP-GFCCVEGCSA-N 357.410 4.136 0 40 FIAB CC(C)n1ncc2c1N=C(O)C[C@]21C(=O)Nc2cc(Cl)cc(Cl)c21 72406013 PFAGWWURYKYCTP-INIZCTEOSA-N 365.220 4.001 0 40 FIAB CC(=O)Nc1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 31796145 YSEWYRNBBLJSQH-UHFFFAOYSA-N 360.413 4.367 0 40 FIAB Cc1nn2c(ncc3c(=O)n(CCC(C)C)ccc32)c1-c1ccc(F)cc1 40396886 CCQVSQXIRVNZDH-UHFFFAOYSA-N 364.424 4.205 0 40 FIAB Cc1ccc(-c2nc3cc(N)cc(C)c3o2)cc1I 226248244 OLIMWIIGJDPWBB-UHFFFAOYSA-N 364.186 4.298 0 40 FIAB Cc1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1C 225133306 GDIVTLKLYAFOKN-RMKNXTFCSA-N 362.517 4.094 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CCc2ccc(OC)c(C)c2)c1 224151713 JMAXTTQAKZULKK-UHFFFAOYSA-N 355.434 4.060 0 40 FIAB CCOc1ccc([C@H](C)NC(=S)Nc2cc(C)ccn2)cc1OCC 225752368 GSYQDDWBTYEPKE-AWEZNQCLSA-N 359.495 4.235 0 40 FIAB CCCC[C@@H](CC)CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C 40103827 DHDIGCPZMDOGKV-GOSISDBHSA-N 360.546 4.085 0 40 FIAB COc1ccc(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)c(OC)c1 225113594 SMZNMGXNJIELJR-MRXNPFEDSA-N 352.839 4.145 0 40 FIAB COc1cccnc1NC(=S)N[C@@H](c1ccccc1)c1ccccc1C 225508042 HNGSGVNXFRZLQE-IBGZPJMESA-N 363.486 4.475 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 222997779 HHNDAVPSYOFPMS-HXUWFJFHSA-N 366.461 4.226 0 40 FIAB O=C(NCc1cccs1)NC[C@H](O)c1ccc(-c2cccs2)s1 585148208 QWSDPEAVFALIHU-LBPRGKRZSA-N 364.517 4.071 0 40 FIAB Cc1ccc2cc(CNC(=O)c3cc(C)nc4ccccc34)c(O)nc2c1 585294772 KBGWXHWOOMGNCR-UHFFFAOYSA-N 357.413 4.035 0 40 FIAB Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(CC1CCCCC1)CC2 585099856 KKUNYQAQYCKSKH-JOCHJYFZSA-N 373.541 4.219 0 40 FIAB Cc1cc(N)nc(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 58018120 PIONIUGGDMGXGN-CQSZACIVSA-N 364.474 4.473 0 40 FIAB COc1ccc(-c2n[nH]c(S[C@H](C)c3ccccc3F)n2)c(OC)c1 68749159 UWGKAKXRVNQNTN-LLVKDONJSA-N 359.426 4.481 0 40 FIAB Fc1cccc(C2(c3nnc(Cc4ccccc4F)o3)CCOCC2)c1 71890006 DSWVRBWAQYZFAD-UHFFFAOYSA-N 356.372 4.035 0 40 FIAB COc1ccc(/C=C/C(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1OC 3324045 RWONJJAGRMBAQH-VQHVLOKHSA-N 368.429 4.068 0 40 FIAB CN(c1ccccc1)[C@@H]1C2=C(CCCC2)OC(=O)C12SCCCS2 5389763 MTEYFWWKSDGJKW-QGZVFWFLSA-N 361.532 4.443 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13146873 JOVMGMZFXVTCIX-SLYNCCJLSA-N 371.502 4.265 0 40 FIAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1C 15008683 WZBPYGCLLPDJPR-YVLHZVERSA-N 357.406 4.379 0 40 FIAB COc1ccc(C)cc1NCC(=O)Nc1ccccc1SC(F)F 15292826 BNFIGWUGHPXXLS-UHFFFAOYSA-N 352.406 4.369 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 15377127 CZSGBDZZLOVHJF-UHFFFAOYSA-N 360.866 4.198 0 40 FIAB Brc1ccccc1-c1nnc(CNc2ccc3c(c2)COC3)o1 155539067 PSNHXSAELJLDLF-UHFFFAOYSA-N 372.222 4.141 0 40 FIAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccco1 6356092 RDNQEAFHWKZMER-VSMYLPJWSA-N 374.238 4.148 0 40 FIAB Cc1ccnc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)c1 2037988619 AWBPWIFFTRUCFU-UZLBHIALSA-N 367.468 4.049 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)c(C)c1 16047608 SYCRYUDXICWVLL-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1 206670168 ALBPVBCPVNJEQE-SFHVURJKSA-N 354.425 4.194 0 40 FIAB CCOc1ccc(NC(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1 211082907 ZMXKXZMIZNPZGK-UHFFFAOYSA-N 370.430 4.293 0 40 FIAB O=C(Cc1ccccc1Cl)N1CCC(Cn2cnc3ccccc32)CC1 36708741 GVKABUYSSIYGKS-UHFFFAOYSA-N 367.880 4.171 0 40 FIAB CC(C)(C)c1ccc(-c2noc(-c3nn(-c4ccccc4)ccc3=O)n2)cc1 49006312 UVHKHMPKCGVBSK-UHFFFAOYSA-N 372.428 4.247 0 40 FIAB CCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2C)c(O)c2sccc21 49409515 ZXVZHKAFKLLGDO-UHFFFAOYSA-N 362.838 4.003 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(-c2ccccc2F)on1 40087690 ZRWHEWRLWOKTFF-UHFFFAOYSA-N 374.755 4.158 0 40 FIAB COc1ccc2cc(CNC(=O)N[C@H](C)c3ccccc3OC)ccc2c1 10495550 CBPLMFLMLWEMCV-OAHLLOKOSA-N 364.445 4.417 0 40 FIAB CC(C)c1c(C(=O)NC[C@H]2CCCc3ccccc32)cnn1-c1ccccn1 30895822 WPXPKSRJZWQCJX-GOSISDBHSA-N 374.488 4.241 0 40 FIAB CCOc1cc(/C=C/c2cc(C(=O)O)c3ccc(F)cc3n2)ccc1O 31855820 XWCFBLOBWUWASZ-ZZXKWVIFSA-N 353.349 4.347 0 40 FIAB Cc1nc(SCC(=O)NC(C)(C)C)c2c3c(sc2n1)C[C@@H](C)CC3 1326274 LOWPDHCNOQKZGZ-JTQLQIEISA-N 363.552 4.131 0 40 FIAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2c(c3ccccc3oc2=O)O1 1427556 OCSZVVVFWWLWHB-CYBMUJFWSA-N 360.287 4.253 0 40 FIAB CSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3 2219809 OYVZJSKLPCECLT-UHFFFAOYSA-N 361.492 4.470 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1nccs1)C3=O 2417736 JENKCIPLUUUHON-QGZVFWFLSA-N 374.421 4.308 0 40 FIAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 2714969 AQJCHZHGWYGSDU-UHFFFAOYSA-N 358.445 4.454 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1C 3134448 DWCJZANFCLSBIT-UHFFFAOYSA-N 368.383 4.044 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)O 3885968 GZPWQYNLYYAAGZ-IIAWOOMASA-N 350.480 4.481 0 40 FIAB in-vitro CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099253 QQJMJTQEYOWGOU-UHFFFAOYSA-N 364.445 4.027 0 40 FIAB CCOc1ccc(-c2nc(NC(=O)Cc3csc(C)n3)sc2C)cc1 5183553 HOTQOCMFFDOEGU-UHFFFAOYSA-N 373.503 4.463 0 40 FIAB CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 5262321 IBMUDTRHGDZOMR-UHFFFAOYSA-N 374.687 4.466 0 40 FIAB CCCCCC(=O)N1CC[C@@H](CC(=O)NCc2cccs2)[C@@H](CC)C1 5433734 BFENMXMKVQINNV-IRXDYDNUSA-N 364.555 4.209 0 40 FIAB biogenic,in-vitro Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nncn1-c1ccccc1 5621940 SYSGKLYARUGVLE-AWEZNQCLSA-N 362.458 4.421 0 40 FIAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccccc1F 6038265 NXWCODWAUVMYPU-UHFFFAOYSA-N 364.376 4.365 0 40 FIAB COc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 6259099 NSIZCSNPKOUPTC-UHFFFAOYSA-N 370.232 4.337 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1OC 6552157 ZHJWQIQTXKYHLI-UHFFFAOYSA-N 359.491 4.306 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1 7236736 UTQQHMRVFXCGDP-ZDUSSCGKSA-N 371.462 4.146 0 40 FIAB CCSc1ccc(CC(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 7597821 NLDVVOVZPULXSN-UHFFFAOYSA-N 357.410 4.169 0 40 FIAB CCOc1cc(C(=O)O)cc(Br)c1OCc1cccc(F)c1 7603974 GLDQXVFHWLURPI-UHFFFAOYSA-N 369.186 4.264 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 7988185 OBRSRXGGKBTSKZ-OAHLLOKOSA-N 372.428 4.327 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCc1ccccc1CN1CCCC1 8011718 GAVNIFHHDVMXFU-VAWYXSNFSA-N 354.881 4.265 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 8040983 MWFQBZQUCXYFFF-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cc1ccc(OCCNC(=S)Nc2cccc(Br)c2)cc1 8105547 BSPRBKFJPMBQGT-UHFFFAOYSA-N 365.296 4.123 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2ccccc2c1 8115081 ZLAQVCGLHRZUQV-IBGZPJMESA-N 350.487 4.468 0 40 FIAB CN(C)C(=O)[C@H](Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 8292213 QLNIHUVLLAYPJZ-OAQYLSRUSA-N 374.440 4.147 0 40 FIAB O=C(NC1CCCCC1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 8476851 TWAIDDOAOGNIMD-UHFFFAOYSA-N 364.424 4.136 0 40 FIAB COc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 9164667 HQWNNNDINBAWCH-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB CCCCNc1nnc(SCC(=O)Nc2cc(C)cc(C)c2)s1 9174289 MKZHFYRUFPFNRZ-UHFFFAOYSA-N 350.513 4.098 0 40 FIAB Cc1cc(C)n2cc(CSc3nnc(C)n3C3CCCCC3)nc2n1 9467098 ZZXFDNWTAOLXTI-UHFFFAOYSA-N 356.499 4.044 0 40 FIAB CCn1c(SCc2cc(Cl)c3c(c2)OCO3)nnc1-c1ccco1 9501226 SZMQZLSIGFHPME-UHFFFAOYSA-N 363.826 4.232 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)Nc2cc(C)ccn2)cs1 10430675 NOVAWKQSKPJFLM-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 10684225 SYPWGNAFOWRAJG-IRXDYDNUSA-N 368.477 4.238 0 40 FIAB CC(C)CN(CC(C)C)C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 12422055 WDXBFLWWNCFYBQ-DLBGWFIVSA-N 351.575 4.194 0 40 FIAB O=C(c1cccc(Br)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12627615 LQBPKWGIVGCOFJ-INIZCTEOSA-N 370.250 4.303 0 40 FIAB COc1cccc(-c2nc(C(=O)N(C)C3CCCCC3)cs2)c1OC 12821637 VJUVGHWIBKGJPS-UHFFFAOYSA-N 360.479 4.232 0 40 FIAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1ccc(Cl)c(Cl)c1 13085547 FWABLQQYIGVTMD-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB COc1cccc(C2=NN3[C@H](CCSC)Oc4ccccc4[C@@H]3C2)c1 13770083 SCIANXNUFDYGEB-ICSRJNTNSA-N 354.475 4.318 0 40 FIAB COc1cc(C(=O)N[C@@H](C)c2cccc3ccccc23)cc2c1OCCO2 17840945 LFOYSQHCRBKFNV-AWEZNQCLSA-N 363.413 4.111 0 40 FIAB O=C(C1CC1)N1[C@H]2CC[C@@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 19373004 VDJYBSUSLRIGFD-FUHWJXTLSA-N 360.461 4.096 0 40 FIAB CCc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1 19522907 DMUFLCMUZQWKDU-UHFFFAOYSA-N 358.445 4.197 0 40 FIAB Clc1cccc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)c1 19892004 BMJHJRINWVSJKW-OAHLLOKOSA-N 364.836 4.479 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)cc1 20144168 UKQLNQLXWSSNPL-UHFFFAOYSA-N 357.793 4.110 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2-n2ccnc2C)cc1 20481545 FGOCVMQFAUFNOU-MRXNPFEDSA-N 365.502 4.286 0 40 FIAB c1cncc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)c1 23343277 GQYQSXZNTLKING-UHFFFAOYSA-N 351.369 4.409 0 40 FIAB FC(F)(F)c1ccnc(Sc2nnc(NC3CCCCC3)s2)n1 24056094 NHCLPLZBHSHBKB-UHFFFAOYSA-N 361.418 4.243 0 40 FIAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2)CC1 24334653 AQENDGAQVRNSCF-UHFFFAOYSA-N 364.420 4.044 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccsc1 25328922 UZZDSJMTQKCFSR-HXUWFJFHSA-N 367.518 4.141 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccccc1OC 30754044 OIEMVWNSJKMFJK-GOSISDBHSA-N 361.869 4.255 0 40 FIAB C[C@H](SCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1F 32778890 XBPVWAAASFOLFZ-JTQLQIEISA-N 363.439 4.198 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1cccs1 35289778 UTVULYZHEJPRJP-AYHJJNSGSA-N 358.482 4.203 0 40 FIAB CC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2nc1Cl 35312119 HPOUMJWRMGDYSA-UHFFFAOYSA-N 353.853 4.449 0 40 FIAB Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCCC2)n1 36613566 WTAKZFMAXCBGIU-UHFFFAOYSA-N 353.392 4.339 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)c(Cl)c1 38771313 LZYMBAUQNYTXDI-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccccc3C)CC2)c1 39751266 ICKKFCASNAIUJJ-UHFFFAOYSA-N 364.533 4.264 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccccc1N1CCCC1=O 40104190 ZQYHBVIIXWWXBP-INIZCTEOSA-N 369.490 4.416 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2cccc(Br)c2)C1 40266691 VTQRLXHDLKZCBW-CQSZACIVSA-N 369.222 4.153 0 40 FIAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(Cl)cc1Cl 41096604 UTDAGELAMWVYHB-NSHDSACASA-N 356.274 4.442 0 40 FIAB Cc1ncc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 46772140 HUKSVHRQTNFUOE-UHFFFAOYSA-N 374.469 4.334 0 40 FIAB Cc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)no1 48277587 KAZPMXCFPRAITF-UHFFFAOYSA-N 362.408 4.265 0 40 FIAB CC(=O)c1cccc(NC(=O)C2(c3cccc(Cl)c3)CCOCC2)c1 52932801 FIZLYYMUSXVLOZ-UHFFFAOYSA-N 357.837 4.230 0 40 FIAB CC1CCN([C@H](C)CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 60156267 VMEDIUXAECSOTF-JKSUJKDBSA-N 370.459 4.436 0 40 FIAB CCn1ccnc1-c1c(-c2ccccc2)ncn1CCCc1cccnc1 65403550 KJYZCXNSVWQANU-UHFFFAOYSA-N 357.461 4.461 0 40 FIAB CC(C)c1cc(C(=O)Nc2nnc(C(C)C)s2)n(-c2ccccc2)n1 71287007 CMTGZGALGDZWTK-UHFFFAOYSA-N 355.467 4.223 0 40 FIAB CC[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)c1cnn(CC)c1 75104814 FYGYQVYFXPZHKE-OAHLLOKOSA-N 374.533 4.425 0 40 FIAB CNC(=O)c1cccc(CSc2nnc(Nc3ccc(C)cc3)s2)c1 84157100 ITYKWBWBIVKRTK-UHFFFAOYSA-N 370.503 4.242 0 40 FIAB C[C@H](COCC(F)(F)F)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 84640477 WHWMXDVHFSKVBO-SNVBAGLBSA-N 373.375 4.214 0 40 FIAB CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)/C=C/c1nc2ccccc2s1 84721863 YZHJQTDAEPDRCP-GCZGRYASSA-N 374.506 4.278 0 40 FIAB C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)CCSc1ccccc1F 95423959 HKQPIIVPJWBILD-DYVFJYSZSA-N 365.445 4.075 0 40 FIAB Cc1cn2c(CN(C)C(=O)/C=C/c3ccc(Cl)cc3)c(C)nc2s1 95469807 OQBVOZUNPWMWJU-RMKNXTFCSA-N 359.882 4.338 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 136530740 QNSSRVZDEKBXGL-CALCHBBNSA-N 374.440 4.011 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccc12 137873089 MYKSAERYKXAIHL-CYBMUJFWSA-N 371.820 4.497 0 40 FIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)cc3OC)N21 222646346 YTHBGVFCAFESIK-FASAQXTFSA-N 369.490 4.078 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)cc1C 224168900 LVFYDSYOWMHXNK-INIZCTEOSA-N 361.869 4.228 0 40 FIAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224219018 MOIYODSWXWOKLV-VQTJNVASSA-N 362.502 4.389 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(F)cc1 224461701 SZXLPHZYZXJARP-NRFANRHFSA-N 367.420 4.332 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)SCc3ccccc3)ccc21 225076461 KQUHYSQGVNRGTO-ZDUSSCGKSA-N 372.515 4.343 0 40 FIAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225107066 MABDJKBHMCANEH-UHFFFAOYSA-N 357.834 4.011 0 40 FIAB CCSc1ccccc1C(=O)NC[C@@](O)(c1ccco1)c1cccs1 225586413 PIICTMYSNDTGDP-LJQANCHMSA-N 373.499 4.119 0 40 FIAB Cc1cccc2sc(NC(=O)c3cccnc3O[C@@H]3CCSC3)nc12 225727271 LVCJWYPGEVXFJB-GFCCVEGCSA-N 371.487 4.136 0 40 FIAB O=C(c1snnc1-c1ccccc1)N1CCC(Cc2ccccc2)CC1 225759991 FDWVCCOYODSVMS-UHFFFAOYSA-N 363.486 4.300 0 40 FIAB COc1cccc(N(C)C(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)c1 225914898 VKICWGZOFBAOLG-UHFFFAOYSA-N 362.433 4.122 0 40 FIAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCC3=CCCCC3)c2)n1 225915212 FFKILFKCYPRMFM-UHFFFAOYSA-N 350.466 4.457 0 40 FIAB O=C(c1ccccn1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257317522 VKCBIOFJMJJTFA-SFHVURJKSA-N 367.836 4.291 0 40 FIAB COCCNC(=S)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408574952 NESIHDJFYWERDW-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 408623896 SPUAGKRMXPZNEY-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408706778 DNGJRBNYHGUFMZ-KRWDZBQOSA-N 370.880 4.133 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)Nc2ccccc2C)c2cccs2)n1 575611821 XQHBAWBCKCSCMN-QGZVFWFLSA-N 354.479 4.281 0 40 FIAB COc1ccc(OC(C)C)c(NCC2CCN(C(=O)CC(C)C)CC2)c1 585080768 HCRAJCOXKORWRB-UHFFFAOYSA-N 362.514 4.179 0 40 FIAB Cc1c(C(=O)N[C@H]2COc3cc(F)cc(F)c32)cccc1-c1ccccn1 680159267 TZSHOHYLUGNZKE-SFHVURJKSA-N 366.367 4.199 0 40 FIAB CSc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccco2)s1 1775968132 JWQIJOJSDQEELA-CYBMUJFWSA-N 359.472 4.193 0 40 FIAB Fc1ccc2c(C3CCN(c4nc5cnccc5s4)CC3)noc2c1 1888914209 WVBMQSJFCSBFOF-UHFFFAOYSA-N 354.410 4.356 0 40 FIAB Clc1ccc(CN2CC[C@H]3[C@@H](COCCN3c3ccccc3)C2)cc1 2037984043 OHHWXEBAPHGMQC-NQIIRXRSSA-N 356.897 4.067 0 40 FIAB Cc1cc(C)c2c3c(sc2n1)C(=O)N(c1ccc(Cl)cc1)CC(=O)N3 1036557 PSISOOQWDZEOQG-UHFFFAOYSA-N 371.849 4.165 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 1103468 BIGGFGGERGRGES-OAHLLOKOSA-N 373.474 4.210 0 40 FIAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)c1 2633149 YUGRMCYHCNMNLI-UHFFFAOYSA-N 367.232 4.109 0 40 FIAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1 3341056 OPGIUNQYXOIYJN-UHFFFAOYSA-N 366.490 4.016 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)c2cc(OCC)cc(OCC)c2)c1 4503087 KNJYTUOBPVISFA-UHFFFAOYSA-N 370.449 4.475 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)C(c1ccccc1)c1ccccc1 4703925 QIPFZOCUPJPGIW-UHFFFAOYSA-N 372.468 4.294 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1 4859624 YYUQCAWZMHEEGB-UHFFFAOYSA-N 374.868 4.218 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)NC3CCCC3)s2)c1C 4882333 HTZSMUQAQVYJSC-UHFFFAOYSA-N 362.524 4.049 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccc(F)cc2)C3)cc1 4888005 NKEZYVHBLJLVIU-FRIKZZABSA-N 366.480 4.450 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 5644246 UPEXLJSFWIFHBM-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB COC(=O)c1c(NC(=O)Nc2ccccc2OC)sc2c1CCCC2 5746551 ABYGNNNXDFLVIQ-UHFFFAOYSA-N 360.435 4.066 0 40 FIAB O=c1c2oc3ccccc3c2ncn1Cc1ccc(Br)cc1F 5797390 MDHWSGGMXHHTEC-UHFFFAOYSA-N 373.181 4.093 0 40 FIAB CCCc1ccc(C(=O)CSc2nncn2-c2cccc(OC)c2)cc1 5895003 DZYCCANNFRHTEP-UHFFFAOYSA-N 367.474 4.203 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc(C)c1CC 6123346 GQCOFRFWUUMBKD-FMIVXFBMSA-N 373.474 4.456 0 40 FIAB COc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 6154078 AGMXTGMPVWHDLL-UHFFFAOYSA-N 357.413 4.420 0 40 FIAB biogenic Cc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1Cl 6503809 NTIJYQYDAAZHCW-UHFFFAOYSA-N 362.926 4.222 0 40 FIAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccccc4)nnc23)cc1 6781155 WCUBQTHNJVBJIH-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)o1 7194234 RFRUDUZOQIQTBI-LLVKDONJSA-N 353.403 4.483 0 40 FIAB CCCn1nnnc1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7263414 YVMWATDIFLYXDM-UHFFFAOYSA-N 352.225 4.262 0 40 FIAB O=c1[nH]c(CSc2nc(-c3ccccc3)cs2)nc2ccsc12 7738301 DWCVULBVNDQTGE-UHFFFAOYSA-N 357.485 4.400 0 40 FIAB Cc1ccc(NC(=O)CN(c2ccccc2)c2n[nH]c(=S)s2)cc1 8411884 UUBNRTDNLAPHKL-UHFFFAOYSA-N 356.476 4.286 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(OC)c(Cl)cc1OC 8493266 CLIJJOGBCCDHNZ-CQSZACIVSA-N 367.804 4.292 0 40 FIAB CCOC(=O)c1ccc2nc(C)c(CN3CCCC[C@H]3CC)c(O)c2c1 8714119 OAYGFIBVRGGAQX-MRXNPFEDSA-N 356.466 4.190 0 40 FIAB COc1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1 10577824 QHODJBWRXMYBRB-UHFFFAOYSA-N 353.447 4.157 0 40 FIAB COc1ccc([C@@H]2CN(CC3CC3)C[C@H]2c2cc(C(F)(F)F)[nH]n2)cc1 12128654 NUPGCLZWUAFQQT-JKSUJKDBSA-N 365.399 4.030 0 40 FIAB Cc1nccc(-c2ccc(-c3noc(CN4[C@H](C)CCC[C@H]4C)n3)cc2)n1 12337078 BSOJNMAWSBVCCP-HUUCEWRRSA-N 363.465 4.265 0 40 FIAB COC(=O)c1c(Cl)c(C2CC2)nc2c1c(C)nn2-c1ccccc1F 12396209 FPFMXDSUEUWYOU-UHFFFAOYSA-N 359.788 4.185 0 40 FIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 12480971 JRPIYSNNDFPNJZ-UXVFMDBASA-N 359.558 4.050 0 40 FIAB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)N1CCCC1 12761414 NDAQWYZFWQAIPL-UHFFFAOYSA-N 358.441 4.257 0 40 FIAB COC(=O)C1(NC(=O)C(c2ccccc2)c2ccccc2)CCCCCC1 12934262 WJRDAVZMGREWKN-UHFFFAOYSA-N 365.473 4.201 0 40 FIAB C[C@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1Br 12994043 AZOCAAKLCBLTFP-JTQLQIEISA-N 369.209 4.017 0 40 FIAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1F 13552925 YTNPUHVFIZCJJG-AWEZNQCLSA-N 363.392 4.308 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)c1 15312943 HGUHTLRLHUBNAC-INIZCTEOSA-N 371.462 4.152 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2NC1=O 15591828 LSROUKYOWPPVAZ-QMMMGPOBSA-N 350.802 4.164 0 40 FIAB Cc1cc(Cl)ccc1-n1ncc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 15880917 BZYIBNNQGRPAAI-STQMWFEESA-N 355.873 4.260 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 16086481 NQPBGHNQLCDZCZ-JTQLQIEISA-N 374.687 4.142 0 40 FIAB CC(C)CNC(=O)CCc1csc2nc(-c3ccc(Cl)cc3)cn12 16848936 XUJXNVQDNVUPAS-UHFFFAOYSA-N 361.898 4.421 0 40 FIAB OC1=NC(=S)S/C1=C\c1ccc(/C=C2\SC(=S)N=C2O)cc1 16951929 GGXMXFQFHMQABK-OZDSWYPASA-N 364.498 4.345 0 40 FIAB COc1cccc2cc(C(=O)NCCSCc3ccc(C)cc3)oc12 19887843 BAASCGMNYKMFCS-UHFFFAOYSA-N 355.459 4.413 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20109084 WVFOZHSGIQHTIP-GOSISDBHSA-N 371.477 4.265 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCC[C@H]1CC 20461046 ONESPQPJKIGFOC-IEBWSBKVSA-N 366.933 4.268 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20746122 KXIDTNYDLAWSDN-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB CC(C)C(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1 21596356 IPGYWVDLQMTKTJ-UHFFFAOYSA-N 355.488 4.432 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236480 ZHHXSIONZUWODL-UHFFFAOYSA-N 352.409 4.362 0 40 FIAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC(C)CC3)c(O)n2n1 22853309 HXFUDGRVRBTZHS-MRXNPFEDSA-N 374.485 4.019 0 40 FIAB COc1ccc(F)cc1C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 23578390 LROWKLRNOXVMRR-GFCCVEGCSA-N 355.365 4.052 0 40 FIAB C[C@@H]1CCCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 24353328 FUAMNEAJXXRTKY-MRXNPFEDSA-N 365.502 4.499 0 40 FIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NOCc3ccccc3)c(C)c12 25039334 NMELXGRHQRBVQX-UHFFFAOYSA-N 369.490 4.467 0 40 FIAB Cn1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cn1 25309533 ZFYRWRMKKMQMQE-UHFFFAOYSA-N 364.430 4.106 0 40 FIAB COCc1cccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1 25336022 OSFGIXRLYNLEQV-UHFFFAOYSA-N 370.449 4.361 0 40 FIAB O=C(/C=C/c1ccccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 27375099 JZMWNDKQDLUOBH-PCUGXKRQSA-N 350.393 4.386 0 40 FIAB CCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCC)c(C)c2)c1 27746647 MTASAOKIUGHGGF-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 28220902 HLSOLTMMQBGQND-VQIMIIECSA-N 356.897 4.429 0 40 FIAB CCCCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)s1 28228169 GFTRVFGHTDACFU-NSHDSACASA-N 353.875 4.249 0 40 FIAB Cc1ccc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1C 32623634 FEUDESMVDBXODB-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB Cc1cccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)n1 32909336 CSSUGMGUHQASFI-UHFFFAOYSA-N 370.840 4.144 0 40 FIAB COc1ccc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)cc1 35290912 ZYNJUCDYTSTOIQ-UHFFFAOYSA-N 367.474 4.493 0 40 FIAB CC[C@H](NC(=O)c1cc(C)nc2c1cnn2C)c1ccc(C(C)C)cc1 36616476 IVGMEENDVZVMIB-IBGZPJMESA-N 350.466 4.281 0 40 FIAB Cn1ccc(CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1=O 42089835 JZLFRCXUPKWANY-UHFFFAOYSA-N 370.478 4.034 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](c1cccs1)C(C)C 43668732 NCUCXIGGCDNFGN-QGZVFWFLSA-N 361.467 4.234 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 44904034 SGNCEPAQANGQKA-OAHLLOKOSA-N 352.203 4.384 0 40 FIAB CCOc1ccccc1CCC(=O)N1CCn2cccc2[C@H]1c1ccccc1 48354632 QCGYDCMPTZFYDR-XMMPIXPASA-N 374.484 4.451 0 40 FIAB Cc1oncc1C(=O)Nc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1 54349211 RBTFVBJLYFSEIZ-UHFFFAOYSA-N 353.378 4.006 0 40 FIAB CC(C)(C)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 60389532 QHEUVBNWVJTYAN-UHFFFAOYSA-N 350.506 4.356 0 40 FIAB Cc1cc(C)n(C(=O)Cc2nnc(Nc3ccc(C(C)C)cc3)s2)n1 67172669 IBTWBERCQULABU-UHFFFAOYSA-N 355.467 4.101 0 40 FIAB COCCn1c(SCc2cc(C)ccc2C)nc2ccsc2c1=O 67259776 AJIQXQBKIGTQCC-UHFFFAOYSA-N 360.504 4.014 0 40 FIAB Cc1c(-c2ccccc2Br)[nH]c2cc3c(cc2c1=O)OCCO3 67340178 XRAUVHCZOKRYHR-UHFFFAOYSA-N 372.218 4.037 0 40 FIAB CCN1CCC[C@H]1CNC(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl 71946326 NIWMPJLGBVVWCV-YPMHNXCESA-N 361.338 4.075 0 40 FIAB COc1ccc(-c2csc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)n2)cc1 72264933 CQXATNFFOYFHBV-ZWKOTPCHSA-N 364.470 4.239 0 40 FIAB COc1ccc(-c2noc([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)cc1 72369921 LETVPFMJNXEBHV-MRXNPFEDSA-N 369.852 4.388 0 40 FIAB Cn1cc(/C=C2\SC(=O)N=C2Nc2cccc(C(F)(F)F)c2)cn1 72400828 BVXMVNCQMJKEAF-XGICHPGQSA-N 352.341 4.157 0 40 FIAB Cc1nn2c(-c3cc(O)ccc3O)ccnc2c1-c1ccc(Cl)cc1 72402789 XOWRFIPNMOWEMG-UHFFFAOYSA-N 351.793 4.436 0 40 FIAB O=C1Nc2cc(Cl)ccc2/C1=C\c1cnc2ccc(Br)cn12 84494342 WGSCOPHZHACGDP-AWNIVKPZSA-N 374.625 4.243 0 40 FIAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccc(C(F)(F)F)cc1 85651283 AUSSCWPZTCBZLL-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB C[C@@H](Cc1ccc(Cl)cc1)NC1CCN(C(=O)OC(C)(C)C)CC1 91690155 HWHPYWASMUAAAZ-AWEZNQCLSA-N 352.906 4.260 0 40 FIAB CN(Cc1ccccc1F)C(=O)CN[C@H](c1ccc(Cl)cc1)C1CC1 95468507 DKWFKDQHABVFBF-FQEVSTJZSA-N 360.860 4.178 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@H](C(C)=C[C@H]1C)[C@@H]2C 100648862 UFMOTNAISQKEDK-FYLZUWAUSA-N 357.494 4.222 0 40 FIAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC 121758657 VYDKTABFAMGQGL-KRWDZBQOSA-N 369.461 4.055 0 40 FIAB Cc1ncsc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206998451 KAMVLTRRZZYFDK-AWEZNQCLSA-N 352.912 4.425 0 40 FIAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 216892018 SPVTYWMOJPJVKK-VMPITWQZSA-N 350.773 4.253 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCS[C@@H](c2ccccc2F)CC1 219072435 FLBUHMHBKWJRFR-HXUWFJFHSA-N 368.477 4.487 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCS[C@H](c2ccccc2F)CC1 219074657 LLSICSDNTJKNJP-SFHVURJKSA-N 372.421 4.394 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 219594121 ODYNSVMKUSVTBA-NRFANRHFSA-N 355.478 4.300 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C 223500941 VFBBYACCDJCTBG-KRWDZBQOSA-N 361.507 4.277 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCCC2)cc1 223727873 VXMLJNDMQCFIGR-HKWRFOASSA-N 366.461 4.198 0 40 FIAB O=C(CSc1ccccc1)NCc1cccc(CN2CCCCC2)c1 224644674 VSYBGEGHMCRTFI-UHFFFAOYSA-N 354.519 4.081 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COC(C)C 224717802 QLLLECOBZMGVHB-UHFFFAOYSA-N 373.449 4.280 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCCSC(C)(C)C)ccc1Cl 225351993 UNIRDCUCVBNGED-UHFFFAOYSA-N 374.959 4.335 0 40 FIAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 225728995 WVUZWHNHIWSNSU-KBPBESRZSA-N 373.488 4.360 0 40 FIAB Nc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 226311731 YTIVAQSQUDXIJL-UHFFFAOYSA-N 368.245 4.203 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(C)cc2)cc1 247975313 COCMZWLQAPPVOH-ZCLUNYJNSA-N 360.457 4.319 0 40 FIAB COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)c1 409373487 WQIPBVHELFZJAT-SEIRJHJZSA-N 371.436 4.090 0 40 FIAB Cn1ccc(C2CCN(C(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)n1 575616989 UVJVSQZPNNWZMR-UHFFFAOYSA-N 371.912 4.292 0 40 FIAB O=C(NCc1ccnc(-c2ccncc2)c1)NCc1cccc2ccccc12 585350434 ICAWBKQXOIGMBM-UHFFFAOYSA-N 368.440 4.296 0 40 FIAB O[C@@]1(CNCc2c[nH]nc2-c2ccc(Cl)cc2)CCCc2ccccc21 1116018826 KNKAECXHHLDLIC-OAQYLSRUSA-N 367.880 4.044 0 40 FIAB CCSCc1nnc2sc(COc3cccc4ccccc34)nn12 1776111008 KJCWFVUKRVXSEF-UHFFFAOYSA-N 356.476 4.171 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 876273 LHIVTYVUCFUOKL-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1C1CCCCC1 900817 SYSLHPQJTGLSJB-AWEZNQCLSA-N 358.511 4.465 0 40 FIAB Cc1cc2ccccc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 1223182 QKGQPANTRZXIQQ-UHFFFAOYSA-N 351.406 4.305 0 40 FIAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1NCCCCCO 1912386 IZHGIIUPBSWTLS-UHFFFAOYSA-N 370.371 4.005 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Cl)c(Cl)c1 1961967 FNCPNMJAAXLULI-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB Cc1ccc([C@@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1 2407063 AEKWYFFLXFCONP-FQEVSTJZSA-N 369.468 4.260 0 40 FIAB aggregator COc1ccc(Oc2ccc(NC(=O)c3cccnc3Cl)cn2)cc1 2555989 GMGCQIUAAMLEPO-UHFFFAOYSA-N 355.781 4.183 0 40 FIAB O=C(O)c1ccc([C@@H]2O[C@@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 2556193 GWCOJZCMEYWBAX-FCHUYYIVSA-N 374.392 4.287 0 40 FIAB COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)c(OC)c1 3371837 QHMOUGBWZVEJTR-UHFFFAOYSA-N 357.431 4.201 0 40 FIAB COc1ccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 3480805 CMWIHKAGJSQLOY-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1ccccc1 3485905 WAMUKAHPSNSHPB-LLVKDONJSA-N 355.488 4.299 0 40 FIAB Cc1sc2ncnc(OCC(=O)Nc3cccc4ccccc34)c2c1C 3599923 LPYMBAUBPXTSLN-UHFFFAOYSA-N 363.442 4.479 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1OC 3908274 AEMQTOVDGIAECW-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)N1CCCC1 4059625 XACSCHQYBHJHNM-UHFFFAOYSA-N 350.487 4.404 0 40 FIAB CCOC(=O)C1=C(OCc2ccc(Cl)cc2)[C@H]2C=C(C)C=C[C@@H]2N=C1 4107047 ZUKDHQBTBFLSDK-WMZOPIPTSA-N 357.837 4.259 0 40 FIAB Cc1ccccc1Nc1nnc(SCC(=O)N2CCCCCC2)s1 5623942 BFVCXXDFIXPQKV-UHFFFAOYSA-N 362.524 4.085 0 40 FIAB C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3cccc(Cl)c3)cc2C1 5936167 PISCEPAFZPWEPT-LLVKDONJSA-N 363.866 4.322 0 40 FIAB CCOc1c(Br)cc(C(=S)N2CCCCC2)cc1OC 6892241 ODBNUJFKQYUUGQ-UHFFFAOYSA-N 358.301 4.018 0 40 FIAB Cc1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2Cl)c1 7602708 WGOVVQUNLOKBNE-UHFFFAOYSA-N 360.870 4.225 0 40 FIAB CC(=O)c1c(C)[nH]c(-c2csc(CC(=O)Nc3ccccc3C)n2)c1C 7844841 NXHYIYQMHLWRDM-UHFFFAOYSA-N 367.474 4.447 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC(F)F 7886254 WRYNUCZFLNXYTP-KRWDZBQOSA-N 360.360 4.026 0 40 FIAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1c(F)cccc1F 7909595 CPXRUPRYDBXDMK-OAHLLOKOSA-N 373.428 4.350 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156796 CKHLDTDCONKIFD-MRXNPFEDSA-N 366.442 4.045 0 40 FIAB Cc1ccc2c(CC(=O)NC[C@H](c3ccco3)N3CCCC3)coc2c1C 8231971 ONIAVTRWGIJILB-LJQANCHMSA-N 366.461 4.138 0 40 FIAB Cc1ccc(-n2cnnc2SCc2cc(F)cc3c2OCOC3)c(C)c1 8529247 FNZSRSZMKSITNR-UHFFFAOYSA-N 371.437 4.182 0 40 FIAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)cc1Cl 8697868 RBYBBGZNWRNJQD-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCc2cnn(-c3ccccc3)c2)c1 8725894 MGBNVOMMBHJPLD-UHFFFAOYSA-N 361.474 4.362 0 40 FIAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3c2C1 8747577 VDIQDMUMIPILMW-QGZVFWFLSA-N 373.500 4.255 0 40 FIAB O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1cccc(F)c1 9734438 AGEAHIVYFVXPSX-UHFFFAOYSA-N 366.270 4.252 0 40 FIAB C[C@@H]1Oc2c(C(=O)N(C)Cc3nc4ccccc4s3)cccc2[C@H]1C 9762572 BODGSPRQWHKXBD-STQMWFEESA-N 352.459 4.453 0 40 FIAB CC(C)N(C(=O)CSc1nnc(-c2cccs2)n1C)c1ccccc1 10709264 IZHWYXCFTUTNMO-UHFFFAOYSA-N 372.519 4.077 0 40 FIAB CCCn1c(S[C@@H]2CCCCNC2=O)nc2ccc(C(F)(F)F)cc21 10989453 OPJCLSOPUXWMSE-CQSZACIVSA-N 371.428 4.226 0 40 FIAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1cccs1)c1ccccc1 12747683 AAWRLCJHNLHEOP-OAHLLOKOSA-N 364.470 4.420 0 40 FIAB COc1cc(CCC(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1 12779899 IMWMLOJHCDBLGM-HXUWFJFHSA-N 357.425 4.139 0 40 FIAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC[C@@H]1c1cccs1 12806552 NJCJTDBVTRDAMK-CYBMUJFWSA-N 359.834 4.485 0 40 FIAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1c(F)cccc1F 12902505 WFFQCMLDRDVIDV-UHFFFAOYSA-N 368.786 4.360 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccccc2Cl)no1 13494848 BOCXVNVLMYPGCQ-GFCCVEGCSA-N 371.824 4.280 0 40 FIAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccccc1Cl 13698593 NWIPTKIHPODQTQ-UHFFFAOYSA-N 373.865 4.044 0 40 FIAB CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)Cc1cccs1 14134589 JFQJOGIJFYJXHW-UHFFFAOYSA-N 374.893 4.410 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3cc4cc(C)ccc4nc3C)ccc21 14201814 BFSXHWDZHFZAEY-UHFFFAOYSA-N 359.429 4.013 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3Cl)c12 14249382 SEPNOTOLROKLKE-UHFFFAOYSA-N 355.825 4.334 0 40 FIAB CN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC(F)F)cc1OC(F)F 15249583 JGOKUZMIGGNPEJ-AWEZNQCLSA-N 370.302 4.086 0 40 FIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCC)c1 16751125 JXOQLXFIICVNEL-LJQANCHMSA-N 363.413 4.147 0 40 FIAB CSc1ncccc1C(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 16967141 UHBGGKRJLQEJDT-MRXNPFEDSA-N 354.479 4.197 0 40 FIAB Clc1ccc(-c2ccc(CNCCCN3CCOCC3)o2)c(Cl)c1 18210659 OSAGFCXTDQSLEG-UHFFFAOYSA-N 369.292 4.065 0 40 FIAB CC(C)c1nccn1[C@@H](C)C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 19454271 XSINIWNVHMKVNN-IRXDYDNUSA-N 373.472 4.024 0 40 FIAB COc1cccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)c1 19557976 WOIUKVITPVFVAA-LJQANCHMSA-N 366.465 4.417 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 21378977 CMDBKDMQVBFXPB-JKSUJKDBSA-N 365.429 4.055 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1 22242817 XPXPGIFOMCASEG-CQSZACIVSA-N 353.853 4.481 0 40 FIAB O=C(/C=C\c1ccccc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140267 UHVPFPUIRJHOPN-SNGWPZLWSA-N 365.458 4.218 0 40 FIAB C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2cccc2)cc1 28221104 ISBDKXASMDIKEZ-GFCCVEGCSA-N 359.223 4.324 0 40 FIAB CCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 28291552 FKIDMQCQPJDTNT-LJQANCHMSA-N 372.534 4.350 0 40 FIAB Cc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1C 31663336 JCHHPCCQPHLYCN-UHFFFAOYSA-N 353.397 4.454 0 40 FIAB O=C(COc1cccc(F)c1)N1N=C(c2ccco2)C[C@H]1c1cccs1 32671939 XIYHORHZKNRBPB-INIZCTEOSA-N 370.405 4.237 0 40 FIAB Cc1cc(NC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)no1 36357887 BZSIKTVWBLASHI-UHFFFAOYSA-N 355.781 4.485 0 40 FIAB CCC(CC)N(CCOC)C(=O)c1cccc(OCc2c(C)noc2C)c1 45742354 DTTPDIZBXJAZCQ-UHFFFAOYSA-N 374.481 4.148 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2cccc(OCc3ccccn3)c2)s1 48288289 NESBLLGSDDDVQX-UHFFFAOYSA-N 368.462 4.089 0 40 FIAB CCN(CC)[C@@H](CNC(=O)C(F)(F)c1ccccc1)c1ccsc1 48333362 HDNYPTBPOICBCU-INIZCTEOSA-N 352.450 4.039 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(C)c1 51364441 WABWJCLWYZPVKE-GOSISDBHSA-N 358.441 4.462 0 40 FIAB C[C@H](OC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1nc2ccccc2s1 71793363 CKTCOOZAGRZIOF-NEPJUHHUSA-N 368.414 4.070 0 40 FIAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@H](c1ccccc1)C1CCCC1 71935230 UDZKEYKXCXQTHA-HSZRJFAPSA-N 359.473 4.463 0 40 FIAB O=C(Nc1cccc(I)c1)N1CCC[C@@H]2CCC[C@@H]21 79019447 ITDCYMGPUFVSRA-FZMZJTMJSA-N 370.234 4.088 0 40 FIAB CCOC(=O)c1cc2cc(NCC(=O)N3[C@H](C)CCC[C@H]3C)ccc2s1 84798519 IEHQULYCUBMMCY-ZIAGYGMSSA-N 374.506 4.279 0 40 FIAB CNc1nccc(-c2ccc(-c3cc(C(F)(F)F)cc(N(C)C)n3)cc2)n1 91695765 DTCREVRNRYCNJA-UHFFFAOYSA-N 373.382 4.332 0 40 FIAB O=C1C[C@H](c2ccco2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115101 PVSQTOIIUCMCGI-CYBMUJFWSA-N 374.348 4.200 0 40 FIAB biogenic COc1ccc(C(=O)O[C@H](c2ccc(Br)cc2)C2CC2)cn1 97002113 BZZVKOPKETVZSS-INIZCTEOSA-N 362.223 4.161 0 40 FIAB Cc1ccc([C@@H]2C=C(c3cccc(Br)c3)Nc3ncnn32)cc1 102568431 AZCZQOWCCAQYCH-KRWDZBQOSA-N 367.250 4.405 0 40 FIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103941028 DKNWKGFZCXWZKU-DNUAJFIVSA-N 352.434 4.086 0 40 FIAB C[C@@H]1[C@@H](NC(=O)CSCc2ccc(-n3cccn3)cc2)CCC[C@H]1C 107327049 YNMLNTGNIOVRJB-GJYPPUQNSA-N 357.523 4.046 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)ccc1C 218952140 FZNWKNBNYHOVQD-SFHVURJKSA-N 369.461 4.109 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1F 219054867 TTYDXAABQWWRKD-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164213 DUGZOSVPDHWSGG-LJQANCHMSA-N 361.869 4.309 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@H]2c2ccncn2)o1 257217547 CZLPAOITTTWKIG-IBGZPJMESA-N 363.417 4.162 0 40 FIAB Cc1cnccc1CN1CCC(c2ccnc(-c3c(C)noc3C)c2)CC1 257337055 YREIEKQBNMGJFE-UHFFFAOYSA-N 362.477 4.436 0 40 FIAB O=C(c1ccccc1-n1cccn1)N1CC2(CCCC2)c2c(F)cccc21 500135995 LGFOKXDWMAUDRY-UHFFFAOYSA-N 361.420 4.484 0 40 FIAB CC(C)c1nc(NC(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)n[nH]1 524733523 RFSRUJPKAVYWGK-HNNXBMFYSA-N 357.845 4.001 0 40 FIAB O=C(NCC[C@@H](CCO)c1ccsc1)c1ccccc1C(F)(F)F 575608726 XRHMJKWXZXCBNO-LBPRGKRZSA-N 357.397 4.053 0 40 FIAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2cccc3cccnc23)c1C 590644638 VDWIBWCOBDEAGI-UHFFFAOYSA-N 368.458 4.331 0 40 FIAB Cc1nn(-c2ccccc2)c2nc3c(c(N)c12)C(=O)C[C@H](c1ccccc1)C3 618257132 RWJWYIMMILDWLM-MRXNPFEDSA-N 368.440 4.224 0 40 FIAB CC(C)C[C@]1(C)CCCN1C(=O)c1cn(-c2cccc(Cl)c2F)nn1 622638453 YQJDYMSUIYOYBY-SFHVURJKSA-N 364.852 4.101 0 40 FIAB O=C(CCCc1nc(C2CC2)no1)N1CC2(CCCC2)c2cccc(F)c21 683348985 GZIJNTSXLFLNNA-UHFFFAOYSA-N 369.440 4.267 0 40 FIAB CCc1ccc(C2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1 1175088799 VXLFDGGMSIRGRC-UHFFFAOYSA-N 363.457 4.441 0 40 FIAB Cc1cc(OC[C@@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)ccn1 1775971487 PWMQEBOVXWPNLS-OAHLLOKOSA-N 359.857 4.366 0 40 FIAB Cc1sc(-n2cccc2)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1C 29691566 ZKSXKCPBDHWREE-UHFFFAOYSA-N 368.458 4.157 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc2c(s1)CCCC2 20935670 WGFFDNZSCWZPPE-MRXNPFEDSA-N 358.507 4.177 0 40 FIAB Cc1cc(C)cc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)c1 2698868 IAPVEPPNVDVXDC-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(O)c3)o2)cc1C 1224346 BYTQMJBTBINJOZ-CYBMUJFWSA-N 369.446 4.178 0 40 FIAB Cc1ccc(N2C(=O)[C@H]3CS[C@@H](c4ccc(Cl)cc4)N3C2=O)cc1 1443392 PQTBDAXTGHRNMG-WBVHZDCISA-N 358.850 4.231 0 40 FIAB O=C(/N=c1\ssc(=S)n1-c1ccccc1)NCc1ccccc1 3844457 HFDCZXBICPOYMY-SDXDJHTJSA-N 359.501 4.140 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(N2CCCC2=O)c1 32781367 KOCSOPFHGUBMFU-KRWDZBQOSA-N 354.475 4.025 0 40 FIAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 3978054 VPGRYOFKCNULNK-SURZBGPFSA-N 372.505 4.267 0 40 FIAB O=C(CCSCc1ccc(Cl)c(Cl)c1)NCc1cccnc1 4973391 GMPJMZPAYDRJDS-UHFFFAOYSA-N 355.290 4.328 0 40 FIAB CC(C)CC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 6364367 GVNAORJOAYOYDL-UHFFFAOYSA-N 356.809 4.125 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1C 6879994 YAVHCTFVSUKKQH-UHFFFAOYSA-N 356.491 4.007 0 40 FIAB CCOC(=O)CSCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 7041984 IOGYHWHQYBCVQK-UHFFFAOYSA-N 367.470 4.324 0 40 FIAB Nc1c(C(=O)NC2CCCCC2)sc(=S)n1-c1ccc(F)cc1 7499905 ODTXPMLPVWLCGB-UHFFFAOYSA-N 351.472 4.052 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2cnccn2)cc1 32930791 PRBDNCBXSNQMMU-UHFFFAOYSA-N 355.781 4.183 0 40 FIAB CCN(Cn1nc(-c2cccs2)n(C2CC2)c1=S)CC(F)(F)F 32913332 UABASLLLLLWOJP-UHFFFAOYSA-N 362.446 4.319 0 40 FIAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccco1 10908292 UDYCFVWDEPBQCC-UHFFFAOYSA-N 361.376 4.201 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1OC 872100 VEEAWDUIBPYJSV-OAQYLSRUSA-N 360.413 4.475 0 40 FIAB biogenic CCCCCC(=O)N[C@@H](Nc1ccccc1OC)C(Cl)(Cl)Cl 3150358 NFDKMHDQGQXMDU-CQSZACIVSA-N 367.704 4.500 0 40 FIAB Cc1ccc(NC(=S)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)cc1 100426897 RVYGSUZJFCTXKO-ROUUACIJSA-N 373.566 4.240 0 40 FIAB Clc1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1 1388027 VTTFHQPCBZEHOQ-UHFFFAOYSA-N 363.852 4.091 0 40 FIAB O=c1c2ccccc2nc2n1[C@H](CSc1ccc(Cl)cc1)CS2 1386901 KBQDDSKLZOBRAH-GFCCVEGCSA-N 360.891 4.489 0 40 FIAB CCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(OC)c3)coc2c1 1448116 IRMGCMKVZPPTGB-UHFFFAOYSA-N 356.330 4.129 0 40 FIAB biogenic Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 56346410 KBGHKXVDANGDFU-UHFFFAOYSA-N 358.388 4.400 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCC3)NCCC1=CCCCC1 3274193 BPXUTAYVJAOJMN-UHFFFAOYSA-N 373.547 4.279 0 40 FIAB CCN(CC)Cn1nc(-c2ccc(OC)cc2)n(-c2ccccc2)c1=S 3260773 VVQHPIZQWWAVSL-UHFFFAOYSA-N 368.506 4.378 0 40 FIAB O=C(c1cccc2cccnc12)N1CCC(c2nc3ccccc3o2)CC1 57569211 WEEJFZDZHRFTSO-UHFFFAOYSA-N 357.413 4.396 0 40 FIAB O=C1CSc2ccccc2N1C(=O)Nc1ccccc1C(F)(F)F 28527520 XGHBQZBECJYAME-UHFFFAOYSA-N 352.337 4.376 0 40 FIAB O=C(COc1ccc(Nc2ccccc2)cc1)N1CCc2ccccc2C1 3357435 NYCXAHATMVJADN-UHFFFAOYSA-N 358.441 4.394 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1cccs1 3374239 PLRZPZKLXKDSOU-SFHVURJKSA-N 372.534 4.116 0 40 FIAB Cc1ccccc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10507285 TVAYIBVXZZRXPV-UHFFFAOYSA-N 358.445 4.379 0 40 FIAB O=C(Cc1cccc(Cl)c1)c1ccccc1I 2392996 AIELGABXKLQKGG-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB C[C@H](c1ccc(F)cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12776321 ZLWYUOVVOINETI-OAHLLOKOSA-N 369.436 4.253 0 40 FIAB Cc1cc2ncn(C[C@@H](O)COc3cc(Cl)ccc3Cl)c2cc1C 45458247 LYDDMFUURSLWAD-CQSZACIVSA-N 365.260 4.400 0 40 FIAB CC(C)Nc1nnc(SCc2nnc(-c3ccccc3Cl)o2)s1 11151328 HLAHGISJYNCJKP-UHFFFAOYSA-N 367.887 4.354 0 40 FIAB Cc1cc2cc(NC(=O)c3ccc(CSc4nccn4C)o3)ccc2[nH]1 48309935 QUKFPJBJPGFDRC-UHFFFAOYSA-N 366.446 4.347 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)NC2CC2)c(Cl)c1 12821044 XPGMZCZRHQGNSK-UHFFFAOYSA-N 374.893 4.271 0 40 FIAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)Nc1ccccc1 3510664 TZQMDPCSBIYWSM-OAHLLOKOSA-N 374.440 4.298 0 40 FIAB C[C@@H](OC(=O)c1cccn1Cc1cccs1)c1nc2ccccc2[nH]1 64358931 FWYVCOJJNFDBJF-CYBMUJFWSA-N 351.431 4.392 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 6065198 NPPOJMZHKMCIKQ-WEVVVXLNSA-N 364.228 4.497 0 40 FIAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cc2cc(C)ccc2nc1Cl 4275558 VXCGDFGHBLGLHQ-KRWDZBQOSA-N 353.809 4.487 0 40 FIAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccco1 9217520 WKQWMPWHPGUAJV-QGZVFWFLSA-N 358.445 4.437 0 40 FIAB Cc1ccc([C@@H](C)N(C)c2cc(C)nc3nc(C(F)(F)F)nn23)c(C)c1 65553669 XCIYDUNWHMBMBC-CYBMUJFWSA-N 363.387 4.266 0 40 FIAB C[C@H](Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1ccccc1 14198804 HLJIMGPFMYUNIN-ZDUSSCGKSA-N 358.488 4.387 0 40 FIAB CC(=O)N(C)c1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1 65807278 ZOOVIOMLIHSUEJ-UHFFFAOYSA-N 372.515 4.400 0 40 FIAB c1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)nc1 4663098 QQNMXMFPBXHPOQ-UHFFFAOYSA-N 351.369 4.409 0 40 FIAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@H]1CCCO1 6665616 FQKJROJAGJDCNQ-OAHLLOKOSA-N 366.465 4.176 0 40 FIAB CC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 18210464 UHBSRQUXZFSYLJ-GAFUQQFSSA-N 372.416 4.133 0 40 FIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(F)cc1 14896552 PQIQIPYDXAMBRS-ZDUSSCGKSA-N 352.365 4.162 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2cc(C)c(C)cc2o1 6811393 ZPSFRHKCDUPJMP-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB Cc1sc2ncnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)c2c1C 5902431 RQKGVIVCNSZOOS-NSHDSACASA-N 368.487 4.398 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)OCc1nc2ccccc2s1 7316520 JMBXFFUXVOKPAB-UHFFFAOYSA-N 371.443 4.084 0 40 FIAB O=C(CCCN1CCC2(CC1)CC(=O)c1ccsc12)c1ccc(F)cc1 96194022 LIEXYTMTOHFMAJ-UHFFFAOYSA-N 371.477 4.470 0 40 FIAB CCOc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCC 62715236 CMPOEZIGMYSSNW-BQYQJAHWSA-N 357.244 4.211 0 40 FIAB CN(C)C(=O)[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 8292215 QLNIHUVLLAYPJZ-NRFANRHFSA-N 374.440 4.147 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c(OC)c1 9762592 LRNKESJTCLOIDY-MRXNPFEDSA-N 357.475 4.231 0 40 FIAB Cc1nn(C)c(C)c1[C@H]1Nc2ccccc2C(=O)N1[C@H](C)c1ccccc1 9740437 RVJXRBSDKGAOOT-VFNWGFHPSA-N 360.461 4.365 0 40 FIAB CC(C)c1nnc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)s1 36353557 BPCJIEBBEBZAHH-UHFFFAOYSA-N 362.455 4.105 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1 409093893 BOBZBUWKEUIPBX-UHFFFAOYSA-N 366.490 4.394 0 40 FIAB Cc1noc(-c2cnc(NCCc3ccncc3)nc2-c2ccco2)c1C 72341072 KVHBDKIQLDMMQL-UHFFFAOYSA-N 361.405 4.058 0 40 FIAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)c2)c1 72356175 LPCTXPCMYPJOFP-HXUWFJFHSA-N 374.488 4.032 0 40 FIAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36366042 XHRCTHPMAVFTSC-AWEZNQCLSA-N 371.462 4.044 0 40 FIAB Brc1ccccc1-c1nc2cc(CN3CCOCC3)ccc2o1 216827575 IAJUGEYWIDFUMP-UHFFFAOYSA-N 373.250 4.090 0 40 FIAB CCn1c(=O)n2nc(-c3ccco3)nc2c2c(-c3ccccc3)csc21 32103079 COGXWBCGUUHFKG-UHFFFAOYSA-N 362.414 4.053 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(OC)cc1 30848471 LCYMAPLKXOQNRT-VQTJNVASSA-N 357.450 4.129 0 40 FIAB COc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 72348824 LYONUDKCBQWRCL-NRFANRHFSA-N 373.500 4.456 0 40 FIAB CC[C@@H](C)Nc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213521 SGJAZVYCQREVFE-VQIMIIECSA-N 373.522 4.126 0 40 FIAB CCOc1cccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 30751276 QKXWTPQJVYXKAP-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB CCOc1cc(CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC 72331427 OPYRMZBSXJXTBA-UHFFFAOYSA-N 354.233 4.331 0 40 FIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1 225908148 IBXVBAVKYOIEAZ-HXUWFJFHSA-N 366.502 4.201 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 223253469 LVDSYGNMLNVUSJ-UHFFFAOYSA-N 352.434 4.081 0 40 FIAB O=C(NC[C@H]1CCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 84304165 HWELJLHUQZAYOL-HUUCEWRRSA-N 365.429 4.026 0 40 FIAB COc1ccc(C2=CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 40119695 LLCYNGRBVYDXFO-UHFFFAOYSA-N 359.372 4.226 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222823343 LIPXAMLSILCIQY-OALUTQOASA-N 354.523 4.379 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1 224455725 AYWIWHLIPDIDMR-FQEVSTJZSA-N 351.421 4.495 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478431 ODKSVDFICLLNSY-GFCCVEGCSA-N 355.825 4.230 0 40 FIAB Cc1ccc(CN2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 85435949 VXWUYAMRSYLREV-LJQANCHMSA-N 365.395 4.294 0 40 FIAB biogenic,in-vitro Cc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c(C)c1 223551292 UZODHZXKXHWMJS-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCSc2ccc(C)cc2)c1C 225286454 KNMSUFLHPHYKET-UHFFFAOYSA-N 374.531 4.169 0 40 FIAB COc1cc(C=O)cc(CSC)c1OC(=O)c1ccccc1Cl 226288755 KLLSVINJYIDCCJ-UHFFFAOYSA-N 350.823 4.243 0 40 FIAB CC(C)Oc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1 41396078 QQEDJLKQZKDSFX-UHFFFAOYSA-N 352.228 4.102 0 40 FIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc(F)cc1 48342686 UZZWGNBGIFAHOL-XFXZXTDPSA-N 360.310 4.499 0 40 FIAB C[C@H](O)c1ccc(CCNC(=O)Nc2ccc(C(F)(F)F)cc2)s1 225690553 GTPQCOIVPFUJFS-JTQLQIEISA-N 358.385 4.184 0 40 FIAB C[C@H](C(=O)Nc1ncc(-c2ccccc2)cn1)[C@H]1OCCc2sccc21 660650280 DXGJYWGMYUTNJR-SCLBCKFNSA-N 365.458 4.094 0 40 FIAB COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccccc1 5001211 UEUPJTKMJLLREI-QFIPXVFZSA-N 361.397 4.095 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)[C@H]1CC=CCC1 12739163 LHFJKQPLACMYOG-PMACEKPBSA-N 373.456 4.493 0 40 FIAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccn2)cc1 13804673 XOAPIAYNARQHQW-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB Cl/C(=C1/C=CC(=[N+]2CCOCC2)S1)c1ccc(Br)cc1 16400055 NVSSRXPNFGIAGF-SQFISAMPSA-N 371.707 4.101 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)o1 17324700 CIPMAIHFQCWOEW-GJZGRUSLSA-N 350.418 4.053 0 40 FIAB COc1ccc(CN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1 19217842 OSMNSTOZSKUTOJ-UHFFFAOYSA-N 369.490 4.495 0 40 FIAB Cc1cc(C)n(CCCC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19574213 KCMUUPMDVGVAPB-MQFRRQCYSA-N 365.521 4.369 0 40 FIAB COc1cc(/C=C/C(=O)NCc2cccc(Cl)c2)ccc1OC(F)F 5505903 MGUMJDSQZGRKAJ-SOFGYWHQSA-N 367.779 4.280 0 40 FIAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1C 8433677 MMPZIRJFGAWREF-VNKDHWASSA-N 372.646 4.025 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 21378983 CMDBKDMQVBFXPB-HOTGVXAUSA-N 365.429 4.055 0 40 FIAB C[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1cccc(Cl)c1 28095191 QLZWYDWTASFLKQ-ZDUSSCGKSA-N 352.825 4.365 0 40 FIAB C[C@H](Oc1ccccc1F)C(=O)NCc1ccnc(-c2cccs2)c1 238871184 MYGQZRFDERYQBO-ZDUSSCGKSA-N 356.422 4.033 0 40 FIAB CCOc1ccc(N(CC)C(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163805 FWAFKURNQPKFLN-UHFFFAOYSA-N 350.418 4.111 0 40 FIAB CSc1nc2n(n1)[C@@H](C(C)C)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 4933010 HKYWCUIQOMWTPW-INIZCTEOSA-N 371.510 4.152 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)c2cc3cc(F)ccc3oc2=O)cc1 9610710 VDIKCJQRZACIJO-UHFFFAOYSA-N 360.406 4.062 0 40 FIAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 13695267 NJBUDISCJQRRAB-UHFFFAOYSA-N 370.880 4.456 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)OCc1cc(-c2cccs2)on1 36662597 NAZFERSXHYCQBO-UHFFFAOYSA-N 371.443 4.316 0 40 FIAB CCOC(=O)c1sc2nc(NC(=O)C3CCCCC3)sc2c1C 6327446 PVLWNRZJLRNKRJ-UHFFFAOYSA-N 352.481 4.362 0 40 FIAB O=C(O)c1cccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)c1 71971711 YSKCTLRIDGKGRG-UHFFFAOYSA-N 364.426 4.302 0 40 FIAB O=C(NCc1cccc(COCc2ccco2)c1)c1cc(F)ccc1F 40089372 LCHUQKPMSHJVRM-UHFFFAOYSA-N 357.356 4.205 0 40 FIAB CCC(CC)[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1cccs1 40158088 QYIRSUUDWXIPMX-HXUWFJFHSA-N 368.502 4.426 0 40 FIAB CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(OC(F)(F)F)cc1 31001500 OQLPXVBQTLJXAL-UHFFFAOYSA-N 372.774 4.309 0 40 FIAB c1ccc(Cc2nc(CSc3nnnn3C3CCCC3)cs2)cc1 31654324 BNXOJWJWERTIKP-UHFFFAOYSA-N 357.508 4.128 0 40 FIAB CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20733451 AAKJFKAGVJYXKW-HXUWFJFHSA-N 368.521 4.396 0 40 FIAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1I 675409 QWTFXWUAEKAFEH-LBPRGKRZSA-N 365.214 4.091 0 40 FIAB CCn1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 686787 IKOOVYSHKYEDJQ-XDHOZWIPSA-N 359.429 4.063 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12 818590 DDQDAAIGJSRNPU-UHFFFAOYSA-N 364.426 4.197 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 830271 VZNRHWYEVNMDOA-GFCCVEGCSA-N 373.474 4.311 0 40 FIAB CCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C(=O)OC 871470 MYYYUGLOQMFULL-UHFFFAOYSA-N 374.462 4.061 0 40 FIAB COC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C(C)(C)C)C3 1223115 HNMKKZRWRCMEGV-JTQLQIEISA-N 350.509 4.107 0 40 FIAB Cc1cccc(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)c1 2233989 UIHSMLXIJVXXGX-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccncc1)nn3CC(C)C 2450654 QWDYTXQKQSWKKZ-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1ccn(COc2ccccc2)n1 2798485 NIFHCPDZJKQHLY-UHFFFAOYSA-N 361.323 4.191 0 40 FIAB COc1cccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c1 3471993 TZLCYESTBTVQOE-QNGOZBTKSA-N 372.424 4.105 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cl)cc3)c2C)no1 3512397 CVGDEAHYKYDASM-UHFFFAOYSA-N 372.808 4.084 0 40 FIAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 3864998 NTRMEISKYMPYHK-GOSISDBHSA-N 370.836 4.273 0 40 FIAB O=C(c1ccncc1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 4131482 OHOCTXCSWJOYOO-KRWDZBQOSA-N 351.406 4.274 0 40 FIAB COc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1 4678182 UBFGAIHRWAPZPF-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB CCSCCC[C@@H](CC[C@H](CCCSCC)C(=O)O)C(=O)O 4721553 XKHASJBJOUTTIS-KBPBESRZSA-N 350.546 4.235 0 40 FIAB O=c1cc(-c2ccccc2Cl)sc2nnc(-c3ccccc3F)n12 4722241 YCUXPUAQTSXGON-UHFFFAOYSA-N 357.797 4.278 0 40 FIAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4CCCC4)c(C)c3cc2c1C 4743779 ROCRFSVZNOQXSZ-UHFFFAOYSA-N 367.445 4.328 0 40 FIAB CN1CCc2c(c3c(n2C)CCN(C)[C@H]3c2ccccc2)[C@@H]1c1ccccc1 4863090 RXOZEZKDLQNAGD-DQEYMECFSA-N 371.528 4.180 0 40 FIAB CCOc1ccc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)nn1 5259640 GKVDAHIQHAXYDF-UHFFFAOYSA-N 355.344 4.073 0 40 FIAB CCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1CC 5427449 LISIPRGCCYAYOB-UHFFFAOYSA-N 350.418 4.046 0 40 FIAB Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)N(C)c2ccccc2)c(C)c1 6105719 ZCGCBQDMWOKIMX-INIZCTEOSA-N 366.490 4.028 0 40 FIAB Cc1ccccc1-c1noc(CSc2nncn2-c2ccccc2F)n1 6129127 PRUBAEVJOFYWRY-UHFFFAOYSA-N 367.409 4.057 0 40 FIAB Brc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1 6535731 ALHKDFVILUUOPN-UHFFFAOYSA-N 371.263 4.066 0 40 FIAB CNc1nc(-c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)cs1 6671402 XSBVKYYSXWALML-AWEZNQCLSA-N 355.463 4.110 0 40 FIAB CCOc1ccc2oc(C(=O)NCCSCc3ccco3)c(C)c2c1 6852051 AQHUYQAYDHGATE-UHFFFAOYSA-N 359.447 4.396 0 40 FIAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 6886588 SEEPKADNPCXPIQ-UHFFFAOYSA-N 359.425 4.097 0 40 FIAB O=C(COC(=O)CSc1ccccc1)Nc1c(Cl)cccc1Cl 6919416 IDKFMSBCWUZAFE-UHFFFAOYSA-N 370.257 4.267 0 40 FIAB COc1cc(CCC(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OC 6945999 XIUBNKYXEALORG-UHFFFAOYSA-N 363.841 4.246 0 40 FIAB Cn1cc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c2ccccc21 7073751 JBMBNEROOYFCSQ-UHFFFAOYSA-N 367.792 4.239 0 40 FIAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1CCCCCC1 7206271 SYTCIXBVULYXML-ZDUSSCGKSA-N 362.524 4.165 0 40 FIAB CCCNCc1cc(Br)cc(Br)c1OCC 7262335 TWRXHBKIQCJMNW-UHFFFAOYSA-N 351.082 4.110 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 7408317 JCXZTOMEIFLYHG-HNNXBMFYSA-N 356.491 4.288 0 40 FIAB COc1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1 7571249 KFPBTCKATHWQHR-UHFFFAOYSA-N 369.259 4.083 0 40 FIAB Cc1ccc(SCCC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 7740325 ZIGYEQRYCBRYNE-UHFFFAOYSA-N 369.486 4.148 0 40 FIAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 7884135 WHLVHUSUPKKWRO-OAQYLSRUSA-N 372.424 4.240 0 40 FIAB Cc1ccc(-n2cnnc2SCc2nnc(-c3cccs3)o2)c(C)c1 8707380 WWSWZFUWOQWCRR-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB CC[C@H](C)n1c(SCc2nccn2C(F)F)nc2ccccc2c1=O 8778618 LMDNTBQCRMXQKH-NSHDSACASA-N 364.421 4.251 0 40 FIAB Cc1cc(-c2nnc(CSc3nc(-c4cccs4)n[nH]3)o2)c(C)o1 9336546 NZHSKWCDXPQPPO-UHFFFAOYSA-N 359.436 4.085 0 40 FIAB Cc1ccc(C(=O)CSc2nccn(-c3ccc(Cl)cc3)c2=O)cc1 9639743 PAHJCFZNALPYFO-UHFFFAOYSA-N 370.861 4.169 0 40 FIAB O=C(COc1ccc(Cl)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544469 JWZFWWHKKYGUFW-AWEZNQCLSA-N 369.852 4.001 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1cc2ccccc2s1)c1ccc(F)cc1 10656549 YCUPEIHRDVGNJS-GOSISDBHSA-N 365.433 4.293 0 40 FIAB CC(C)Cc1cc(-c2nnc3sc(-c4ccccc4Cl)nn23)[nH]n1 12323633 BUPACCHPHANIDV-UHFFFAOYSA-N 358.858 4.095 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12603840 MRVKXSIZKIUPDW-HXUWFJFHSA-N 358.445 4.190 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccc(F)c(F)c3)o2)cc1 12752516 HQSXZEGTQJDMCW-ZDUSSCGKSA-N 371.387 4.133 0 40 FIAB CC(=O)c1ccc(SCC(=O)N(C)c2nc3ccccc3s2)c(F)c1 13003847 VMDJEQZBEMONKJ-UHFFFAOYSA-N 374.462 4.393 0 40 FIAB COc1ccccc1CCN1CCOc2nc3c(C)c(C)ccc3cc2C1 13563799 UCQVEXQERCKSIR-UHFFFAOYSA-N 362.473 4.297 0 40 FIAB Cc1cc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)on1 14184451 NWYUVXVPCUMLDB-UHFFFAOYSA-N 367.405 4.114 0 40 FIAB O=C(Cn1cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 14737542 DXOUBPCFFFXZHG-UHFFFAOYSA-N 353.731 4.347 0 40 FIAB CSc1ccccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 18945442 RJDLAFORPMCGLC-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB O=C([C@H]1Cc2ccccc2O1)N(CCc1ccccc1)Cc1cccs1 21598444 ASXAFKKWGJLUKZ-OAQYLSRUSA-N 363.482 4.323 0 40 FIAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nnc(C2CC2)s1 22738666 WWHVKXZXQRZKIG-UHFFFAOYSA-N 357.410 4.386 0 40 FIAB O=C(Cc1cc(-c2ccc(F)cc2F)on1)N1CCCc2ccccc21 23127182 LPDYDMHVGMGRRK-UHFFFAOYSA-N 354.356 4.142 0 40 FIAB CC(C)Oc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 23128047 MOJCPZFQBOARJQ-UHFFFAOYSA-N 372.534 4.177 0 40 FIAB CC(C)n1nccc1NC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1 23752180 MJKIYZBLCYHQHI-KRWDZBQOSA-N 362.477 4.170 0 40 FIAB CN(Cc1ccc(Cl)s1)Cn1nc(C2CC2)n(C2CC2)c1=S 23841123 VSIISSAEOUUCBT-UHFFFAOYSA-N 354.932 4.431 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3S2)cc1OC 25618213 KDKUCUPHCCSZLX-JXFKEZNVSA-N 369.486 4.084 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 27664267 XHRYRGOPEMTOSN-UHFFFAOYSA-N 350.374 4.079 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)cc1 28540277 ZTDRTMVBTLHQII-GOSISDBHSA-N 354.402 4.322 0 40 FIAB biogenic,in-vitro O=C(Cc1c[nH]c2ccccc12)OCc1noc(-c2ccc(Cl)cc2)n1 29298572 CYBZZTIFVWQKAH-UHFFFAOYSA-N 367.792 4.157 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1C 30855093 IAVNZTMGEHQHMN-INIZCTEOSA-N 368.477 4.238 0 40 FIAB COc1ccc(CN(C)C(=O)c2sc(-c3ccc(C)o3)nc2C)cc1 31214660 PGYZVVHBAKESFF-UHFFFAOYSA-N 356.447 4.301 0 40 FIAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 32193489 AVIBHEKFRPXEAM-UHFFFAOYSA-N 370.250 4.111 0 40 FIAB Fc1ccc(C(F)(F)F)cc1-c1nn2c(-c3ccco3)nnc2s1 36366705 OHBSLSFKUQLUKS-UHFFFAOYSA-N 354.288 4.271 0 40 FIAB COc1cc(CNCCc2c(C)[nH]c3ccc(C)cc23)cc(OC)c1OC 36657728 QWURTZMEUXXQSW-UHFFFAOYSA-N 368.477 4.143 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)c(C)s1 40080929 YGDAGXTVCNONQD-KBXCAEBGSA-N 364.555 4.263 0 40 FIAB O=C(c1ccc(I)cc1)c1ccc(Cl)c(F)c1 43210077 KBSOLHLJBCYEQR-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@H]1c1ccsc1 46913150 FIIMRDHLOGTDIA-VQTJNVASSA-N 366.486 4.376 0 40 FIAB COc1ccc(C(N)=O)c(OCC(=O)c2ccc(C(C)C)cc2C(C)C)c1 48325131 RBLCZKVGEWHDGL-UHFFFAOYSA-N 369.461 4.303 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 54135897 FFXVFSIMKRQTAO-HUUCEWRRSA-N 364.511 4.059 0 40 FIAB Cc1nc2ccc(N[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)cc2s1 69056584 LBEJJZLWSFRHKV-STQMWFEESA-N 351.475 4.383 0 40 FIAB CCc1nc(C)c([C@H](C)N(C)Cc2cc(OC)c(OC)cc2OC)s1 93612509 VRFOMGSPAAIUJS-ZDUSSCGKSA-N 364.511 4.233 0 40 FIAB Cc1cccc(C[C@H]2CN(C(=O)c3ccoc3)CC[C@@H]2OCC2CC2)c1 96209558 IRGKGWDWOBSYIN-SFTDATJTSA-N 353.462 4.088 0 40 FIAB COc1ccc([C@@H]2SC(=S)N(C)[C@H](c3ccc(OC)cc3)N2C)cc1 105106534 NWSJPEOLHUGGLH-MSOLQXFVSA-N 374.531 4.297 0 40 FIAB O=c1/c(=C/c2ccc(-c3ccccc3)cc2)sc2nc3ccccc3n12 109974380 HHOORXNDZCANPI-ZHZULCJRSA-N 354.434 4.124 0 40 FIAB CO[C@H](CNC(=O)c1ccccc1Br)c1ccccc1Cl 128327990 CVPZCKZRUQKIQJ-OAHLLOKOSA-N 368.658 4.220 0 40 FIAB O=C(c1ncccc1CCc1cccc(Cl)c1)C1CCN(C(=O)O)CC1 198546852 JFVOJRUOMYKLOC-UHFFFAOYSA-N 372.852 4.093 0 40 FIAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2)c1 205618817 DDRVTAUIGZMZQI-RGEXLXHISA-N 362.454 4.466 0 40 FIAB C[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 216338587 VYNXFWPHPHYIEX-JTQLQIEISA-N 362.253 4.313 0 40 FIAB O=C(CSCc1c(F)cccc1Cl)NCCOCc1ccccc1 223456239 AOTBOUIMQYGXQO-UHFFFAOYSA-N 367.873 4.045 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(C)c1C 223500715 GMXUJODCTUGPNF-QGZVFWFLSA-N 361.507 4.277 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(F)cc1 224130243 BZIIUXZKDRNBPP-HNNXBMFYSA-N 359.441 4.086 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(Cl)cc1 224287087 CXGKXFNMOVWHSO-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c(C)c1 224288993 JOEVPCZSIJZLTF-GOSISDBHSA-N 363.457 4.419 0 40 FIAB O=C(Cc1ccc(Cl)cc1F)NCc1ccc(CN2CCCCC2)cc1 224536537 FPRJNWCZJLUEFK-UHFFFAOYSA-N 374.887 4.324 0 40 FIAB CCCOCc1cc(C(=O)N2CCc3ccccc3C2)ccc1OCC 224709847 DTIIOSWFHBUZMA-UHFFFAOYSA-N 353.462 4.210 0 40 FIAB COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C 224987066 CQMWHIBHFJTMOQ-UHFFFAOYSA-N 361.825 4.231 0 40 FIAB CCCC[C@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225121311 ZULADKYVVNLAJG-SWEXZPIWSA-N 368.477 4.383 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225621132 CTTYDRJLIALUND-SCLBCKFNSA-N 357.878 4.288 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccccc1Cl 225738864 CDRCHVQRMKHSEI-AWEZNQCLSA-N 359.926 4.468 0 40 FIAB COc1ccc(CCC(=O)NCCc2ccc(-c3ccoc3)s2)cc1 390828674 BPDOJQCLFIKBPG-UHFFFAOYSA-N 355.459 4.308 0 40 FIAB C[C@@H]1CCc2nc(CNc3ccc(C(=O)N(C)C)c(Cl)c3)sc2C1 585081104 RJKIRFVCTYXBMG-LLVKDONJSA-N 363.914 4.235 0 40 FIAB O=C(N[C@@H]1CCC12CCOCC2)c1cccc(Oc2ccc(F)cc2)c1 585410247 YJJDQWDUPYFJSJ-LJQANCHMSA-N 355.409 4.307 0 40 FIAB Cc1cccc(Oc2cccc(NC(=O)N[C@@H]3CCc4n[nH]cc4C3)c2)c1 1311142161 ZXAUYSHSMJZUEG-QGZVFWFLSA-N 362.433 4.189 0 40 FIAB COc1ccc2cc(C(=O)NCc3cc(-c4ccoc4)cs3)[nH]c2c1 1775969711 HPVKLGFJMLDKAD-UHFFFAOYSA-N 352.415 4.428 0 40 FIAB Cc1ccc2nc(NC(=O)CSc3ncnc4sccc34)sc2c1 8328448 RQALUUWAMJFJFK-UHFFFAOYSA-N 372.500 4.340 0 40 FIAB CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccc(OC)cc1 709116 FNPQEWWDVNNWQX-UHFFFAOYSA-N 356.399 4.306 0 40 FIAB COc1ccc(NC(=O)CCCOc2cccc(Br)c2)cc1 2621346 WIKVTNSBAJDVPS-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB CCOc1ccc2nc3sc(C(=O)N4CCC[C@H](C)C4)c(N)c3cc2c1 917097 DIFZAXKZMVLZJY-LBPRGKRZSA-N 369.490 4.303 0 40 FIAB COc1cccc(N(C(=O)[C@H]2CCCO2)c2nc3ccccc3s2)c1 2630706 IHHWVQNVRNDPOU-MRXNPFEDSA-N 354.431 4.149 0 40 FIAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1ccccc1O 3150022 HMYVTYOBQPIQOJ-UHFFFAOYSA-N 368.186 4.109 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3c(OC)cccc3OC)n2)cc1 4538952 KFTWVXLERZHSOR-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 6635814 SGRIRVMJRDBCOG-OQZOHAQUSA-N 369.895 4.185 0 40 FIAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccnc2Cl)c1 8071844 OIJKQYQLYJKNAK-LLVKDONJSA-N 363.870 4.039 0 40 FIAB C[C@@H](Sc1ccc(N)cc1)C(=O)Nc1ccccc1Br 17072837 KXWQPEKGHMBRQJ-SNVBAGLBSA-N 351.269 4.151 0 40 FIAB CC1=C(C(=O)O)[C@@H](c2ccccc2Cl)NC(=S)N1c1ccccc1 8727218 QCDTWLKPUVLZPY-MRXNPFEDSA-N 358.850 4.134 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(C)c3)cc21 8959510 LLTCEKORJHDAPZ-UHFFFAOYSA-N 352.434 4.019 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 635348 RNUSDEOCKBDLHR-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Fc1cccc(Oc2ncccc2CNCc2cccc3c2OCO3)c1 47702965 ONVAFLWOIOWPCT-UHFFFAOYSA-N 352.365 4.032 0 40 FIAB Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc1 900581 ZHOQRBXDTBEPNL-HUUCEWRRSA-N 362.424 4.083 0 40 FIAB O=C(CCc1ccccc1)NC(=S)NC(c1ccccc1)c1ccccc1 950462 KXOFMPAGPINIBQ-UHFFFAOYSA-N 374.509 4.400 0 40 FIAB COc1cc(SC)ccc1C(=O)Nc1cccc(C2OCCCO2)c1 1068392 UHWXBKRHXLBTMS-UHFFFAOYSA-N 359.447 4.105 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](OC(=O)[C@@H](C)CC)c1ccccc1 24131920 MUFJFRUCONTSQV-HNAYVOBHSA-N 355.434 4.354 0 40 FIAB CCN(Cc1cccs1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 25759968 QXRHPQRCDYRVSJ-UHFFFAOYSA-N 371.506 4.041 0 40 FIAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nnc4ccccn34)co2)c(C)c1 44073395 XLDYJFXRAHEMJW-LJQANCHMSA-N 373.460 4.338 0 40 FIAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2cnc(-c3ccccc3)s2)no1 65402325 VPZOGIUNRQCNPU-UHFFFAOYSA-N 370.478 4.156 0 40 FIAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1ccsc1 48252413 FVAZIDLXRYUWMI-LJQANCHMSA-N 351.475 4.230 0 40 FIAB O=C(c1cc2occc2n1Cc1ccccc1Cl)N1CCSCC1 36353992 VTBVZELUTRGUBB-UHFFFAOYSA-N 360.866 4.125 0 40 FIAB Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c2cnn(C(C)C)c2n1 10965456 FDFMPYLSDJGSFQ-CYBMUJFWSA-N 356.857 4.465 0 40 FIAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 28925752 ZBEIIRSKZMWFGQ-CQSZACIVSA-N 356.267 4.486 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 12989058 JEGZZHQAYMGVMD-LBPRGKRZSA-N 357.866 4.278 0 40 FIAB CCOc1cc(C(=O)Nc2cccnc2Cl)cc(OCC)c1OCC 6047793 MXEQGGFQFBLDPY-UHFFFAOYSA-N 364.829 4.183 0 40 FIAB CCc1oc2ccccc2c1CN1CCC(C(=O)N2CCC(C)CC2)CC1 92144967 ZRSFVLDDMDMYEA-UHFFFAOYSA-N 368.521 4.466 0 40 FIAB CC[C@@H](C)c1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 6111439 PCYYEOPEYCARPB-CYBMUJFWSA-N 366.486 4.343 0 40 FIAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1F 39995602 ZRNMCUURZXLRDS-UHFFFAOYSA-N 352.247 4.143 0 40 FIAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 5476929 HQODFABOBMNOSL-ZDUSSCGKSA-N 356.491 4.231 0 40 FIAB COc1ccc2[nH]c(SCC(=O)Nc3ccc(SC)cc3)nc2c1 4741875 FKTAXVGJKVSANI-UHFFFAOYSA-N 359.476 4.024 0 40 FIAB in-vitro CSc1ccccc1NC(=O)COC(=O)Cc1cccc2ccccc12 5714904 WWMGEXXDAPJGTC-UHFFFAOYSA-N 365.454 4.286 0 40 FIAB COc1ccccc1CNC(=O)c1cccc(OCc2ccc(F)cc2)c1 8941759 DDIOFEAASBLXSM-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(OCc2ccccc2)cc1 6912911 AZWVASVXIVIYJP-OAHLLOKOSA-N 365.458 4.175 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1SC 408556930 FJHLZZCYYQPGFG-UHFFFAOYSA-N 357.884 4.261 0 40 FIAB C[C@@H](Cc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1)c1ccccc1 9095447 ZZCGAOOETOXQBC-LSDHHAIUSA-N 367.474 4.290 0 40 FIAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCc2ccc(Cl)cc2)=N1 408993382 WJIJMTDIOSAPGT-QGZVFWFLSA-N 371.893 4.033 0 40 FIAB COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NCc1ccccc1 16806294 QVQNATATDGDWMQ-UHFFFAOYSA-N 372.361 4.373 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(OCc3cscn3)cc2)c1 9456250 PTZZQQMRZBPVLM-UHFFFAOYSA-N 352.415 4.177 0 40 FIAB C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1csc(-c2ccccc2)n1 71801170 XFBHGVJKQAIWNP-DLUDVSRJSA-N 370.499 4.086 0 40 FIAB COc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1Br 96635007 HEWHHQDKLXSJLE-XNTDXEJSSA-N 372.218 4.111 0 40 FIAB C[C@@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)C[C@H](c2ccccc2)O1 72289351 MKPJZKCXKKGNQF-SJKOYZFVSA-N 354.431 4.093 0 40 FIAB COc1ccccc1CN(CN1C(=O)C(C)(C)[C@@H]1c1ccccc1)C1CC1 72312392 XBNCDPYCMZIOKH-NRFANRHFSA-N 364.489 4.227 0 40 FIAB Cc1cc(-c2noc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4)n2)ccc1F 79301743 DNAJSEFETDAKLP-GFCCVEGCSA-N 366.396 4.242 0 40 FIAB Cc1nc(C)c(-c2nn3c(-c4ccc(Cl)cc4F)nnc3s2)s1 95474440 RQLVQWCNJXHNFG-UHFFFAOYSA-N 365.846 4.386 0 40 FIAB N=C(N)c1ccc(-c2cc(Br)c(Br)s2)cc1 26898012 UACVLKCYOSYFHD-UHFFFAOYSA-N 360.074 4.224 0 40 FIAB CCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1 408714943 YXZUYJCHXNCUPX-UHFFFAOYSA-N 365.433 4.106 0 40 FIAB CCC[C@@](C)(CCCNC(=O)C[C@@H](C)c1cccc(F)c1)C1OCCO1 75092490 DRDAFCAJWUAKMX-IERDGZPVSA-N 365.489 4.395 0 40 FIAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc2c(c1)OCO2 20140717 KSRGOIYUIYKABC-UHFFFAOYSA-N 371.776 4.073 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc2ccccc2o1 219948889 MFYLFNGFHFXXGR-INIZCTEOSA-N 351.402 4.474 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(OC)cc1 38757286 AGQMBFKQHJBJKQ-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C3CCCC3)C2)c1 72358329 UGNAJESZUZDORF-SFHVURJKSA-N 364.493 4.224 0 40 FIAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc21 30946875 KDQXRBIBHZYIGR-SFHVURJKSA-N 354.881 4.141 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(C)cc1 218973566 NHTWMUDPVSPWON-BEFAXECRSA-N 369.461 4.190 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCc2ccc(-n3ccnc3)cc2)c1 44846014 YKWLIVYXPAVCGG-UHFFFAOYSA-N 365.502 4.039 0 40 FIAB Cc1ccc2c(Nc3ccc(F)c(F)c3)c(C(=O)N3CCCC3)cnc2n1 49004591 XHDMTMOHRZCACO-UHFFFAOYSA-N 368.387 4.196 0 40 FIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 44088050 FEEZZDWNOLYNCM-ZDUSSCGKSA-N 355.413 4.399 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2F)CC1 96625980 WYLLCAIEMHPCOT-UHFFFAOYSA-N 374.887 4.050 0 40 FIAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccc(C)o2)C3)c1 96046636 LREKIIICJHNUIR-UHFFFAOYSA-N 354.494 4.085 0 40 FIAB Cc1cc2occ(CC(=O)N3CCC(O)(C(F)F)CC3)c2cc1C(C)C 332336887 RLGQLGWQPFYIJZ-UHFFFAOYSA-N 365.420 4.026 0 40 FIAB Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1 97097475 VLXSORGHBLCCER-IBGZPJMESA-N 358.401 4.180 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CCCO[C@H]3c3ccnn3C(C)C)n2)nc1C 584830412 OVAKILAEVUWIJS-CRAIPNDOSA-N 367.453 4.161 0 40 FIAB C[C@@H]1c2cccn2CCN1Cc1ccc(CN2CCn3cccc3[C@H]2C)cc1 253415330 APEIFEBSZIHGDM-WOJBJXKFSA-N 374.532 4.443 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)Nc2noc(-c3ccccc3F)c2C)on1 683969353 NRFOORYRUNAYTD-HNNXBMFYSA-N 370.384 4.455 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCCC[C@H](c2ccc(F)cc2)C1 96119772 GIGRANHQHRSNRS-HNNXBMFYSA-N 354.381 4.484 0 40 FIAB Cc1c(CCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 390822421 WBFLKSFKXLTTNC-RUZDIDTESA-N 367.396 4.069 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1C 13612955 YWKDQJCNQYUYPL-UHFFFAOYSA-N 366.461 4.414 0 40 FIAB CCCCCNCc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 13731393 JWMXRNKUCRAQIT-UHFFFAOYSA-N 370.493 4.301 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 15608862 JRYVFFQMSKNHRH-OAHLLOKOSA-N 350.462 4.346 0 40 FIAB COc1cc(/C=C/C(=O)O)ccc1OCc1cccc(Br)c1 226336968 XQIXYLHAQQBXEC-SOFGYWHQSA-N 363.207 4.135 0 40 FIAB Cc1cccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2sccc23)c1 2956416 NCEHRUBDRDOVKN-UHFFFAOYSA-N 373.484 4.194 0 40 FIAB Cc1cc(C)c2sc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc2c1 4583528 BFNXUKCMQJIPAQ-UHFFFAOYSA-N 369.465 4.015 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269356 ADCGUPUYOOHGGG-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1 17270839 VDPAHPPORCIUKI-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB Cn1c(C2CCC(CNC(=O)c3ccsc3)CC2)nc2ccccc21 38671819 LUAFPRWUANBZSO-UHFFFAOYSA-N 353.491 4.339 0 40 FIAB Cc1ccc(CCC(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1Cl 30030481 ZQKLTKNAYCRYCH-FQEVSTJZSA-N 356.897 4.096 0 40 FIAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1cc(C)sc1C 40074264 IPZIKMDZROPUCC-RFUYNDQBSA-N 372.534 4.387 0 40 FIAB COc1ccc2cc(CN(C)C(=O)c3cc(-c4cccnc4)on3)ccc2c1 40131266 WNBGHVDBAQNYMH-UHFFFAOYSA-N 373.412 4.171 0 40 FIAB Clc1ccccc1-c1nc(CN2CCN(c3ccccn3)CC2)cs1 20508367 ZPNKYESNLHJOPZ-UHFFFAOYSA-N 370.909 4.181 0 40 FIAB CCOc1ccccc1OCCCC(=O)Nc1ccc(OC(F)F)cc1 2661092 DVPNANQBNVRUFK-UHFFFAOYSA-N 365.376 4.484 0 40 FIAB Cc1nc(-c2ccccc2)c(C(=O)OC[C@H]2COc3ccccc3O2)s1 21629290 XJAHMAFQRILKCF-OAHLLOKOSA-N 367.426 4.115 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(OCC)cc1 4910090 VEHQCBDPCNHEQS-LJQANCHMSA-N 351.406 4.024 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1 6623355 SUJINAATKNXXRL-UHFFFAOYSA-N 369.490 4.242 0 40 FIAB CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nc2ccccc21 7901320 LJLZJTWIOJKYSO-OAHLLOKOSA-N 353.491 4.368 0 40 FIAB CC(=O)N(c1ccc(F)cc1)N1C(=O)[C@H](c2ccccc2)c2ccccc21 2773399 KFADJZBJPQNFEO-OAQYLSRUSA-N 360.388 4.272 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8041084 MVGCGEAHXHOKMH-IRXDYDNUSA-N 368.477 4.238 0 40 FIAB Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cc(C)ccc3n2)cc1 8471930 JNEKXUFQNWHCEW-SFHVURJKSA-N 360.457 4.427 0 40 FIAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(F)cc1 8575439 NAUXKLSMZYHRPQ-UHFFFAOYSA-N 352.409 4.028 0 40 FIAB Fc1ccc(Cc2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1 632818 DTKJSHYCKJRABL-UHFFFAOYSA-N 358.829 4.160 0 40 FIAB CCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 9062187 YOZCJCHGNGFERR-UHFFFAOYSA-N 368.418 4.026 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(F)cc1)CO3 54278186 BLCAIKWEJDMFEM-UHFFFAOYSA-N 353.393 4.155 0 40 FIAB biogenic CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)c(C)c1 101084921 MPYXNSQNAHIXIM-LAUBAEHRSA-N 352.434 4.472 0 40 FIAB CCCOc1cccc(NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c1 47102184 QGMQEFZJCQFIDA-UHFFFAOYSA-N 355.419 4.039 0 40 FIAB CNc1nc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc12 24599313 PWVMOBVLRFWLDQ-JTQLQIEISA-N 359.401 4.313 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@H]1C(=O)Nc2ccc(C)cc21 101654935 NDTXQFJQLQPQNV-INIZCTEOSA-N 366.442 4.231 0 40 FIAB S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccco1 100425436 IYUWCOMEBIJSFY-QZTJIDSGSA-N 355.507 4.152 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 12538916 OXHJMQZKBGKXJQ-CQSZACIVSA-N 366.273 4.308 0 40 FIAB CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1nc2ccccc2s1 55101615 LYIAKKICJKEMJP-UHFFFAOYSA-N 354.479 4.402 0 40 FIAB CN(C(=O)CSCc1ccccc1Br)c1ccccc1 10284987 PXYZWBWISPZOJK-UHFFFAOYSA-N 350.281 4.345 0 40 FIAB CN1CCC[C@@H](NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 58163598 DUYYCHVSCIUKRF-UXHICEINSA-N 371.912 4.017 0 40 FIAB COc1ccc(C(=O)C[C@H](SCCO)c2ccc(Cl)cc2)cc1 2106404 WFDDXTQSUWTBGB-SFHVURJKSA-N 350.867 4.388 0 40 FIAB CCOc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 12619194 NFPLIFHHTRQJLM-UHFFFAOYSA-N 354.381 4.451 0 40 FIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(Br)cc1F 10373032 BAWVKUZKHKUUTP-UHFFFAOYSA-N 362.242 4.440 0 40 FIAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3ccco3)oc2c1 27989403 OKAZJFSJTXDRDB-UHFFFAOYSA-N 363.369 4.130 0 40 FIAB C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@@H]1CCCO1 58411732 SWSIOXMLPAONMW-BTYIYWSLSA-N 366.436 4.126 0 40 FIAB COc1ccccc1-c1nn(CN2CCC[C@@H]3CCCC[C@H]32)c(=S)n1C 36391775 WNZOLRAMEQYPEJ-DOTOQJQBSA-N 372.538 4.239 0 40 FIAB Cc1nc(-c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)cs1 3363400 FHCIDEGFPYVZOL-UHFFFAOYSA-N 353.472 4.245 0 40 FIAB CCc1nc(N[C@@H](Cc2ccccc2)C(=O)O)c2oc3ccccc3c2n1 2377560 BIZTZSJLJJCTPW-HNNXBMFYSA-N 361.401 4.046 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(-n3cccn3)cc2)N1CC(F)(F)F 28511789 WRAFXYOPDXPKDK-QGZVFWFLSA-N 372.350 4.001 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(F)c(F)c1 12738488 MJZBWXCVIVIKCA-NSHDSACASA-N 351.374 4.093 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2=O)cc1 12813463 JGNMVALFWCQTHZ-UHFFFAOYSA-N 362.351 4.080 0 40 FIAB CSc1nc(C)c(CCC(=O)Nc2cc(Cl)ccc2F)c(C)n1 12861392 GLPQFDIHQQFFHQ-UHFFFAOYSA-N 353.850 4.179 0 40 FIAB C[C@@H](NCC(=O)Nc1cc(F)ccc1F)c1ccccc1Br 12994042 AZOCAAKLCBLTFP-SNVBAGLBSA-N 369.209 4.017 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)ccc21 13253436 LKDILFQDXLKRLR-IRXDYDNUSA-N 362.429 4.420 0 40 FIAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2ccc(O)cc2)C1 49547391 YSPYSSOAEYSPIT-HNNXBMFYSA-N 353.809 4.414 0 40 FIAB CCCOC(=O)c1c(NC(=O)c2noc(C)c2C)sc2c1CCCC2 13641070 JXRKNEPABSSPHV-UHFFFAOYSA-N 362.451 4.051 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)O 4241098 WSEOQKALYMEIPL-KRWDZBQOSA-N 374.264 4.390 0 40 FIAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(N2CCCCC2)o1 408803835 TXOCVJXVRUSLAH-UHFFFAOYSA-N 372.445 4.172 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nccn1-c1cccc(F)c1 5263386 HXOGLFXWPNMBHP-CQSZACIVSA-N 367.449 4.081 0 40 FIAB CC[C@@H](NC(=O)c1ccc(OCc2noc(C)n2)cc1)c1ccc(C)cc1 14085293 PRJZFHMUSDQLOJ-LJQANCHMSA-N 365.433 4.147 0 40 FIAB CC(C)c1ccc(-c2noc(CSc3nnc4ccccn34)n2)cc1 14137217 FBRXZRDGDIMEMK-UHFFFAOYSA-N 351.435 4.195 0 40 FIAB CCCN1C(=O)N/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409231558 LEEDNNFSAWPMLU-FOWTUZBSSA-N 358.482 4.290 0 40 FIAB CCn1c([C@@H](C)NC(=O)c2cc(C)n(C3CC3)c2C)nc2ccccc21 65927937 WLXYBUCKRVYWFO-CQSZACIVSA-N 350.466 4.300 0 40 FIAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4nccs4)c(C)c3cc2c1C 6624423 JIUWMSNLOFDQLA-UHFFFAOYSA-N 368.414 4.102 0 40 FIAB biogenic Cc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C2CC2)cc1 4732714 WZPWWKSFDDGUIE-LEWJYISDSA-N 372.472 4.372 0 40 FIAB Cc1cccc(N2CC(=O)N(c3ccccc3)[C@@H](c3ccccc3)C2=O)c1C 15412549 SGJZKTVHFUUAOJ-QHCPKHFHSA-N 370.452 4.425 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC12CC3CC(CC(C3)C1)C2 15576679 CKQGYWSDZNNTLG-WWFGTJDESA-N 364.489 4.036 0 40 FIAB CCc1nnc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)s1 15584991 WOCSPWWYQWEMOG-UHFFFAOYSA-N 364.883 4.438 0 40 FIAB C[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 15620034 XSAKVBKTZHOXID-SFHVURJKSA-N 372.468 4.351 0 40 FIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1C(C)C 7425054 NTVLWOULJRHCAL-UHFFFAOYSA-N 350.484 4.074 0 40 FIAB Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1ccc(F)cc1 7615743 VZQXKQBTTGCATQ-UHFFFAOYSA-N 355.760 4.085 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cccs1 7689186 BPNHUIUFGQZBGS-FNORWQNLSA-N 371.380 4.444 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2)c1 7717518 BONLQKZBYGWSLY-SFHVURJKSA-N 374.868 4.133 0 40 FIAB Cc1csc(Cc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)n1 8298577 KCZCXRRVTZXCKO-UHFFFAOYSA-N 355.488 4.293 0 40 FIAB CCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 8324619 DSQNBJWEQGQXPM-UHFFFAOYSA-N 365.813 4.017 0 40 FIAB Cc1cc(NC(=O)CSCc2ccccc2C)n(-c2ccccc2)n1 9591623 HKZXKTMWHPOLTO-UHFFFAOYSA-N 351.475 4.361 0 40 FIAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc3ccccc3n2)c(OC)c1 71800812 LYOHYVWNLMRXFA-NRMKIYEFSA-N 362.429 4.143 0 40 FIAB COC(=O)c1ccc(OC)cc1OCc1ncc(-c2ccc(C)cc2)o1 79065212 SJAKQZUROYBHKM-UHFFFAOYSA-N 353.374 4.024 0 40 FIAB CC(C)[C@@H]1CCCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 95442917 KUNXTMTVLBYPPV-ZWKOTPCHSA-N 366.546 4.308 0 40 FIAB COc1cccc(N2CCN([C@@H](C)Cc3nc4ccccc4s3)CC2)c1 75105706 ZDACJTPQAFCZNN-INIZCTEOSA-N 367.518 4.058 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)N1[C@@H](C)CCC[C@@H]1C 26771341 FEWSZHBAVHJJEB-UWVGGRQHSA-N 351.800 4.043 0 40 FIAB CCCOC(=O)c1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 408732690 XIWKICBLYVSIAO-BOPFTXTBSA-N 369.804 4.251 0 40 FIAB CCCCn1nc(C)c2c(C(=O)Nc3ccc(F)cc3F)cc(C)nc21 36612273 PMRMCVODOZJYTJ-UHFFFAOYSA-N 358.392 4.379 0 40 FIAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 39748664 OSGPPNVSBZTUHS-UHFFFAOYSA-N 370.880 4.393 0 40 FIAB O=C(c1[nH]c2ccccc2c1Br)N1CC=C(c2ccccc2)C1 501574360 ZJKORPDPGFYLFE-UHFFFAOYSA-N 367.246 4.470 0 40 FIAB O=C(Nc1ccccc1Br)C(C(F)(F)F)C(F)(F)F 3188827 WEUVNQIQCLKVRC-UHFFFAOYSA-N 350.056 4.128 0 40 FIAB biogenic Cc1ccc(C)c(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 218951812 LAFADVQVQKUMHV-GOSISDBHSA-N 353.462 4.409 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(C)c(C)c1 218809575 ILBBSKCDOKOYQO-IBGZPJMESA-N 353.462 4.273 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218933483 JCAWXXNSZQUBAV-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB COc1cccc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)oc12 13690265 IPHZNQXNEMJHSS-UHFFFAOYSA-N 370.836 4.057 0 40 FIAB biogenic O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4cccc5ccccc45)oc3c2)C1 70461307 KSGRQZAMSSTJHQ-AWEZNQCLSA-N 372.380 4.086 0 40 FIAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225317509 KLLAUYFCFKYNSW-LJQANCHMSA-N 369.461 4.055 0 40 FIAB COc1cccc(NC(=S)NCCCSCc2ccc(F)cc2)c1 225614523 HACMHXXCNYVMDJ-UHFFFAOYSA-N 364.511 4.444 0 40 FIAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)c(C)c1 223980130 CTHSLXTTZFNRNG-HXUWFJFHSA-N 367.489 4.319 0 40 FIAB O=C(O)CCc1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)cc1 579190444 MZXHHWFLOKAXQA-UHFFFAOYSA-N 362.385 4.143 0 40 FIAB CSCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 597504761 QSCTVPHCFVZCOV-CQSZACIVSA-N 372.465 4.070 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)Nc1cnn(C2CCOCC2)c1 96104577 IKNWDJPAJMHGGO-UHFFFAOYSA-N 365.433 4.039 0 40 FIAB COc1ccc([C@H]2C[C@H](NC(=O)c3nccc4ccsc34)C2)cc1F 952994845 UTXRUGIVTXVYMD-HDJSIYSDSA-N 356.422 4.120 0 40 FIAB Cc1ccsc1CNC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl 97473598 UZZFAXQSIZBHLQ-NSHDSACASA-N 357.306 4.330 0 40 FIAB CCN(CC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 5840025 CFPGDXVOLYZBLM-JOCHJYFZSA-N 350.462 4.286 0 40 FIAB Cc1ccc2c3c([nH]c2c1C)CCN(C(=O)c1cnc(C(C)(C)C)nc1)C3 12325756 VHKZYEMKDLFSSL-UHFFFAOYSA-N 362.477 4.071 0 40 FIAB Cc1ccc(C)c(Cn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 12539626 DOTQLDQWMPPJMR-UHFFFAOYSA-N 359.429 4.224 0 40 FIAB Cc1ccc(NC(=S)NCc2ccc(CN3CCCCC3)cc2)cc1 18943652 MDHQPROCVBHYKT-UHFFFAOYSA-N 353.535 4.468 0 40 FIAB CN(CCCNC(=O)CCCc1c[nH]c2ccccc12)Cc1ccccc1 21938990 IKELQTWWYMHRBH-UHFFFAOYSA-N 363.505 4.129 0 40 FIAB CC(=O)Nc1ccc(C)c(NC(=O)c2csc(Br)c2)c1 36390711 YCGHITGSRXLWHS-UHFFFAOYSA-N 353.241 4.030 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2F)c1 4585417 WTSIHSJRNIJIGN-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB O=S(=O)(NCc1cc(-c2ccoc2)cs1)c1ccc(F)c(Cl)c1 1775971194 GPSNNVJKWZMTHE-UHFFFAOYSA-N 371.842 4.279 0 40 FIAB Cc1c(Br)cccc1NC(=O)c1ccnc(OCC2CC2)c1 244998796 KTWUJURFOAJHDI-UHFFFAOYSA-N 361.239 4.194 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 20729899 RZADCJWYUTYLES-CTNGQTDRSA-N 350.462 4.358 0 40 FIAB Cc1cc(Sc2nnnn2-c2ccccc2)nc2ccc(Cl)cc12 710222 HFFUYZDZNGKEQM-UHFFFAOYSA-N 353.838 4.324 0 40 FIAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1 876218 RENXJIGFAGLEFF-GYHWCHFESA-N 374.396 4.197 0 40 FIAB CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2Cl)NC(=O)N1 974794 DMJSOBIAKIYHDR-PLQHRBFRSA-N 362.857 4.090 0 40 FIAB COc1ccc(CCNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1OC 978483 YQOGXQFQNKOPQX-QGZVFWFLSA-N 369.505 4.365 0 40 FIAB biogenic Cc1sc2ncnc(SCC(=O)Nc3ccc(F)cc3F)c2c1C 2369060 VABLJSHRJBFQTM-UHFFFAOYSA-N 365.430 4.317 0 40 FIAB CC[C@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cnn(CC)c2C)cc1 2804389 YMGVURIVHPCKJU-KBXCAEBGSA-N 363.527 4.155 0 40 FIAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2ncnn12 3105333 QTUSYICJLREMNY-ZETCQYMHSA-N 359.764 4.045 0 40 FIAB CC(C)(C)c1ccc(OCc2ccc(C(=O)NC3=NCCS3)cc2)cc1 3253065 IQFQDYMGNSSBJY-UHFFFAOYSA-N 368.502 4.396 0 40 FIAB COc1ccc(OCCC(=O)OCc2csc(-c3ccccc3)n2)cc1 3274416 JVIPXPCZSQMBSN-UHFFFAOYSA-N 369.442 4.331 0 40 FIAB C[C@H](NC(=O)COC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 3370855 PKXVWAXMIDCHLL-NSHDSACASA-N 352.217 4.028 0 40 FIAB COc1cc(C)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1C 3667812 UHOAZZKFHDKRIA-ATVHPVEESA-N 358.507 4.045 0 40 FIAB Cc1ccc(-c2nsc(SCC(=O)Nc3cccc(F)c3)n2)cc1 4167342 CDMCNTBOGRRXLG-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB CCCCC(=O)Nc1cc2nn(-c3ccc(OCC)cc3)nc2cc1C 4190942 HKHZNHUVRUZCPQ-UHFFFAOYSA-N 352.438 4.256 0 40 FIAB Cc1ccc(-c2cnc(SCCNC(=O)c3ccc(F)cc3)[nH]2)cc1 4315430 QTIQIJHGAIEJBM-UHFFFAOYSA-N 355.438 4.046 0 40 FIAB Cc1ccc2nc(NC(=O)C3(c4cccs4)CCOCC3)sc2c1 4376516 VWPGKJZAOYKNMC-UHFFFAOYSA-N 358.488 4.353 0 40 FIAB CCCCC(=O)Nc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 4649099 LEHCSPWLONJUHD-UHFFFAOYSA-N 356.422 4.085 0 40 FIAB CC(=O)c1ccc(NCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5692646 JEQNJFPEIOZKKD-BZSISCHUSA-N 354.494 4.022 0 40 FIAB CN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 5700361 VSCFZPIMKQVMQJ-CSKARUKUSA-N 364.228 4.213 0 40 FIAB CCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3o2)c1 5946059 FGTSNVNHTCKPNG-UHFFFAOYSA-N 369.446 4.122 0 40 FIAB CCN(CC)CCOC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 6462827 KBDQYOHWDRBVSH-UHFFFAOYSA-N 360.498 4.094 0 40 FIAB CCOc1ccc2nc(NC(=O)CSc3nc(C)cs3)sc2c1 6657184 BOTIUUPMKNPUQD-UHFFFAOYSA-N 365.505 4.191 0 40 FIAB Cn1c(-c2ccccc2)nn(CN2CC=C(c3ccccc3)CC2)c1=S 7075935 HUNVVPFTPKPVLJ-UHFFFAOYSA-N 362.502 4.365 0 40 FIAB COc1cccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1OC 7603120 XDVCRHNZYJWFIS-GDNBJRDFSA-N 357.387 4.063 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8041308 YOZZLOAGWPBXJL-IAGOWNOFSA-N 368.477 4.238 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)c(C)c1 8369155 ICFWSBCUOXWMPR-UHFFFAOYSA-N 368.502 4.092 0 40 FIAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccccc3F)nc12 9140746 DRMOPWHEZBBRFQ-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB COc1ccc(-c2ccnc3[nH]n(-c4ccc(Cl)cc4)c(=O)c23)cc1 10157165 WIXQYHXIDKUOOW-UHFFFAOYSA-N 351.793 4.043 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1Br 10286270 FOZLMUCFKZPRQS-UHFFFAOYSA-N 361.264 4.331 0 40 FIAB CCOc1ccc2nc(NC(=O)CCC(=O)c3ccc(F)cc3)sc2c1 10815704 QPJZEPRJGBOSOM-UHFFFAOYSA-N 372.421 4.436 0 40 FIAB Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)NC2CCCCC2)c1 10878250 BCEHRZIIGCVSIK-MRXNPFEDSA-N 357.523 4.419 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)COc1ccccc1Cl 11188920 WMIUMIKFQJWRBB-UHFFFAOYSA-N 357.793 4.426 0 40 FIAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccc(F)cc1F 11620675 FQXAHGXAKGDCKK-UHFFFAOYSA-N 365.811 4.269 0 40 FIAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Br)cc1 12342196 JPIQNXLYUCFYCE-IHRRRGAJSA-N 354.288 4.257 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)N[C@H](C)CCCC(C)C)CC1 12545938 PPAXCUNRLSMMBJ-GOSISDBHSA-N 361.530 4.132 0 40 FIAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1cccc(F)c1 12756807 CAIBBACBJJHUDA-OAQYLSRUSA-N 366.461 4.473 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)o1 12798146 HPICLOFKJZZLCS-OJAWGZOXSA-N 369.505 4.290 0 40 FIAB C[C@@H](OC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1)C(N)=O 12868977 ZQOSEPXFAQBQTD-CYBMUJFWSA-N 351.427 4.113 0 40 FIAB Cc1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)cc1 12880857 DHCSBPBJRQECKQ-UHFFFAOYSA-N 367.474 4.054 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2ccc(F)cc2s1 12899173 OVDZYGQEKFZYHH-OAHLLOKOSA-N 358.438 4.200 0 40 FIAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)s1 15008569 FCRAWXLHSBKWHN-OQLLNIDSSA-N 372.471 4.040 0 40 FIAB O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)cc2)c2cn[nH]c2N1 15083328 MDEWARWDVLDPJR-HNNXBMFYSA-N 353.809 4.116 0 40 FIAB O=C(/C=C/c1sc2ccccc2c1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 15600045 PWGKOJTVSJIMHD-BQYQJAHWSA-N 369.833 4.376 0 40 FIAB O=C(c1ccccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 18111068 HEVIOXMZBVVYDU-UHFFFAOYSA-N 355.290 4.013 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1 21800691 POIIQHQZUQNKAY-GFCCVEGCSA-N 371.824 4.358 0 40 FIAB CCC(=O)N1CCCc2ccc(NC(=O)Nc3ccc(OC)cc3)cc21 22502868 ABIMCPRRRWEBRA-UHFFFAOYSA-N 353.422 4.028 0 40 FIAB Cc1ccc(CSCCNC(=O)CSCc2ccc(F)cc2)cc1 22530301 DBANSELEYXSIIJ-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB Cc1noc(C)c1COc1ccc(Br)cc1Br 23043284 AGMYVPUMZUDDRD-UHFFFAOYSA-N 361.033 4.395 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN(Cc2c(F)cccc2Cl)CC1 24002081 ZTVHLDASUMEEBI-UHFFFAOYSA-N 372.827 4.183 0 40 FIAB Cc1ccc(F)c(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1 28230745 UGPVZVGBOQKQSW-UHFFFAOYSA-N 355.335 4.256 0 40 FIAB Cc1cc(C)n(C2=Nc3sc4c(c3[C@H](NCCC(C)C)N2)CCCC4)n1 28286556 FUFYRUHFAUZHCN-GOSISDBHSA-N 371.554 4.214 0 40 FIAB CCN(C(=O)CSc1n[nH]c(/C=C/c2ccccc2)n1)C1=CCCCC1 32789379 QOIMKAWYDPSDTK-BUHFOSPRSA-N 368.506 4.374 0 40 FIAB Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(F)c(F)c3)cs2)o1 32816128 SECHJYSJEGJKOY-NSHDSACASA-N 362.401 4.410 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 32903756 PEXLVMVVLJLRHN-UHFFFAOYSA-N 368.477 4.342 0 40 FIAB CCN(C(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1 36627549 ADLVZXPGOWLMIS-UHFFFAOYSA-N 372.218 4.222 0 40 FIAB Cc1ccc(F)cc1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 55531014 IUKQJMUJEFESIS-QGZVFWFLSA-N 367.380 4.110 0 40 FIAB CC1(C)CCCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)C1 57761965 XQRGRJWEKXRMSI-UHFFFAOYSA-N 351.429 4.299 0 40 FIAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1-n1cccn1 58011384 BJHSHUMXNREHDE-UHFFFAOYSA-N 374.375 4.451 0 40 FIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccccc1CN(C)C 58209867 YYLXQVQQTKIISK-SFHVURJKSA-N 367.537 4.304 0 40 FIAB CCCS(=O)(=O)Nc1cccc(NC(=O)CC2CCCCC2)c1C 58217529 PKISBMSJYADJJV-UHFFFAOYSA-N 352.500 4.056 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1C[C@@H]1c1ccccc1F 58476528 UTEYVIPUPGFXCG-MOPGFXCFSA-N 352.453 4.188 0 40 FIAB CCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 59723557 KTOAMTVTLSARAU-UHFFFAOYSA-N 371.912 4.401 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(C2CCC2)s1 61717940 SHZRKAKCWFMBBA-UHFFFAOYSA-N 356.476 4.490 0 40 FIAB CCc1c(C(=O)CSc2ccc3c(c2)OCCCO3)[nH]c(C)c1C(C)=O 63429081 WUPKPYYCVKSLPJ-UHFFFAOYSA-N 373.474 4.224 0 40 FIAB NC(=O)c1cc(-c2csc(-c3cccc(C(F)(F)F)c3)n2)ccc1O 63630905 MXKNTZQHAGZTLV-UHFFFAOYSA-N 364.348 4.300 0 40 FIAB CC(=O)N1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214551 WVIISZHGVCVGBD-KRWDZBQOSA-N 361.486 4.163 0 40 FIAB COc1ccc(-c2csc(CNC(=O)CCc3ccccc3)n2)cc1 72264944 PBHNWWYMRNDMTI-UHFFFAOYSA-N 352.459 4.068 0 40 FIAB COc1cccc2c1ccn2CCC(=O)N1CCc2[nH]c3ccccc3c2C1 72324432 AOVAFCPLRPKZQV-UHFFFAOYSA-N 373.456 4.106 0 40 FIAB biogenic Fc1ccccc1-c1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 80346428 WLVCRODVNRVPNF-UHFFFAOYSA-N 354.454 4.460 0 40 FIAB CC(=O)c1cc(C(=O)Nc2cccc(COC3CCCCC3)c2)n(C)c1 83815648 QSFIAKMEIALQFD-UHFFFAOYSA-N 354.450 4.329 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1cc(N2CCCCCC2)ccn1 85558203 HLZQZESKTUYQBI-UHFFFAOYSA-N 356.495 4.050 0 40 FIAB COc1ccc(Cc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193842 JVIOHYGBEYBHIA-UHFFFAOYSA-N 362.414 4.198 0 40 FIAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 98212175 UHJPZQZMHXCXTJ-QGZVFWFLSA-N 367.836 4.296 0 40 FIAB O=C(Nc1cccc(F)c1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423051 GUPSCVMIMKLGFE-WOJBJXKFSA-N 353.441 4.143 0 40 FIAB Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102680393 CYFLSBXSZFQLJJ-DJJJIMSYSA-N 364.380 4.384 0 40 FIAB O=C(CCc1cccnc1)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 107517048 LVDHKQOMVDNMMZ-UHFFFAOYSA-N 360.392 4.335 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 149283204 STPHDHBALDWARS-MRXNPFEDSA-N 373.518 4.242 0 40 FIAB C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccccc3)n2)[C@H](c2ccco2)C1 154059907 CWOZDYBEFCMQGW-WBVHZDCISA-N 350.422 4.470 0 40 FIAB Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 170317828 CMFNIHPLCXJBMV-UHFFFAOYSA-N 356.731 4.244 0 40 FIAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 216327089 AYZRYRPJLNQKKX-QGZVFWFLSA-N 355.478 4.335 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(OC)cc1 222993701 XSLBBMTUPXZIHN-NRFANRHFSA-N 355.478 4.218 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 223678468 QBBZOMHREQLSJK-SJORKVTESA-N 371.477 4.274 0 40 FIAB CCOc1cccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 223731601 YZPSOICBLRYANG-UHFFFAOYSA-N 374.289 4.213 0 40 FIAB CCOc1ccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 224464748 KKCNBWLJKSNRDS-UHFFFAOYSA-N 363.479 4.327 0 40 FIAB CC[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(OC)c(C)c1 224606179 AZJIBERCEBWROA-FQEVSTJZSA-N 363.461 4.130 0 40 FIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1 225704164 BWUZYIFEJOLRQS-HXUWFJFHSA-N 351.487 4.416 0 40 FIAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 225727483 OOIKLAGQEALCPD-KBPBESRZSA-N 373.488 4.360 0 40 FIAB Cc1nc(C(F)(F)F)ccc1NC(=O)[C@@H]1C[C@]12CCOc1ccccc12 512413429 WGXQJYNIXYQGCG-UGSOOPFHSA-N 362.351 4.088 0 40 FIAB Cn1cc(NC(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)c(C2CC2)n1 517387670 IAUJCCNHGIWFBJ-FQEVSTJZSA-N 356.445 4.066 0 40 FIAB Cc1cc(C)cc([C@H](C)NC(=O)N[C@H](CO)c2cccc(Cl)c2F)c1 541918908 OJWBIQZUYMBWJC-SUMWQHHRSA-N 364.848 4.190 0 40 FIAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N(C)C)cc1 959124 FFLHYKRZMASIHK-UHFFFAOYSA-N 352.356 4.422 0 40 FIAB CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2Cl)cc1OC 2449207 AWNSIHRIMSDGFU-UHFFFAOYSA-N 361.829 4.125 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)O)cc1NC(=O)OC(C)(C)C 2582990 RQQDWMAMCZQDNK-UHFFFAOYSA-N 352.387 4.079 0 40 FIAB O=C(COC(=O)c1cccs1)Nc1cccc(Oc2ccccc2)c1 2655389 YNRVGKZDCJKBQZ-UHFFFAOYSA-N 353.399 4.336 0 40 FIAB O=C(CCSc1nc2ccccc2s1)Nc1ccc2c(c1)OCO2 3428210 NUZYSXLBJGGTOT-UHFFFAOYSA-N 358.444 4.146 0 40 FIAB COC(=O)c1ccc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)o1 3446795 VGSHXWMOHWYROR-UHFFFAOYSA-N 362.809 4.275 0 40 FIAB O=C(COC(=O)c1ccc(F)cc1Cl)c1ccc(Br)cc1 3530335 REQNOJRQZSBBJO-UHFFFAOYSA-N 371.589 4.281 0 40 FIAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC1CCCCC1 4033122 DUZRPOOGYKMTKO-UHFFFAOYSA-N 364.449 4.314 0 40 FIAB CCOc1ccccc1NC(=O)CCCc1nc(-c2ccc(C)cc2)no1 4433915 UJDVUHFWPREVAD-UHFFFAOYSA-N 365.433 4.405 0 40 FIAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 4854478 DWNGKYASKXWAAU-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB C[C@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccccc1 5146723 LMSDCQJUAANDLQ-HNNXBMFYSA-N 361.470 4.483 0 40 FIAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(F)cc1Cl)CC2 5353946 OQABYIOPVJUART-LLVKDONJSA-N 363.816 4.256 0 40 FIAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C(Cl)(Cl)Cl 5571642 ICKDPARZXBRWCJ-UHFFFAOYSA-N 356.596 4.199 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 6078888 DJNHXPVRUHVTIS-INIZCTEOSA-N 356.853 4.139 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 6510580 MWYBCJUJEFNNHK-UHFFFAOYSA-N 352.434 4.466 0 40 FIAB O=C(NCCSCc1ccco1)C(c1ccccc1)c1ccccc1 6933615 INDPMEPZPOERGE-UHFFFAOYSA-N 351.471 4.461 0 40 FIAB O=C(CSc1nnc(NCc2ccco2)s1)c1cc2ccccc2o1 7161664 MTBJTNJPUSJMMP-UHFFFAOYSA-N 371.443 4.464 0 40 FIAB COC(=O)c1cc(CSc2nnc(-c3c[nH]c4ccccc34)o2)oc1C 8187472 YMELIHGCNQSCCG-UHFFFAOYSA-N 369.402 4.198 0 40 FIAB CCOc1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 9062568 TYVOELAPFFDSAY-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1 9836412 ZFMZLSSMVNGAKN-UHFFFAOYSA-N 356.422 4.351 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)CCCOc1ccc(C(C)=O)cc1 10542218 DXUBJTATXACWPT-UHFFFAOYSA-N 367.445 4.036 0 40 FIAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccnc2)N1c1ccccc1 10950704 UKOJPDVBSYRVRV-NRFANRHFSA-N 367.412 4.243 0 40 FIAB COc1cc(CCC2CCN(C(=O)c3cccc(C)c3)CC2)cc(OC)c1 11128436 ULQGPTZXOGIHQN-UHFFFAOYSA-N 367.489 4.497 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3ccccc3N(C)C)cs2)cc1 12545158 WQIYMPZEFCSXRB-UHFFFAOYSA-N 353.447 4.137 0 40 FIAB COc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1C 13971779 UAXSEAYMNZZJCO-UHFFFAOYSA-N 366.442 4.201 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 14003341 YGSDRIPGCOITBF-OUKQBFOZSA-N 360.413 4.170 0 40 FIAB CCCC(=O)Nc1ccc(OCc2cc(-c3ccco3)on2)c(C(C)=O)c1 14018840 QSXHQRPMCPMJBO-UHFFFAOYSA-N 368.389 4.455 0 40 FIAB COc1ccc(Br)cc1CSc1nnc(-c2ccc[nH]2)o1 14093839 RXNWUTDULBPGHB-UHFFFAOYSA-N 366.240 4.128 0 40 FIAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cccc2cccnc12 14254870 MFAFMXPTVWRMKO-UHFFFAOYSA-N 370.327 4.194 0 40 FIAB CCCC(=O)N1CCC[C@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 19501283 JCWSGVYMXMNHSA-NSHDSACASA-N 355.360 4.056 0 40 FIAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@H]1CC12CCC2 19589056 LGMOWCJYBLJESE-BQJUDKOJSA-N 352.522 4.046 0 40 FIAB COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20141655 XCJRSTSOCNQNAW-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB O=C(NCCc1cccc(Cl)c1)c1occc1COc1ccccc1 21381153 JYTRGALVVNQVEW-UHFFFAOYSA-N 355.821 4.485 0 40 FIAB Clc1ccc(-c2nn(-c3ccccc3)cc2CN2CCOCC2)cc1 23695658 GSHHPHPXCGPEPT-UHFFFAOYSA-N 353.853 4.025 0 40 FIAB COCc1cccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1 24453515 QBKOLJAKCCZOKR-UHFFFAOYSA-N 365.473 4.185 0 40 FIAB C[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1cccnc1Cl 25482555 PCKOEMFMPYSJNF-SECBINFHSA-N 359.735 4.073 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COc2cccc(Oc3ccccn3)c2)[C@@H]1C 25943106 WECMXBNJQVVRGC-MDZRGWNJSA-N 354.450 4.194 0 40 FIAB Cc1cccc(COc2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)c1 26121812 UKANTNKACANGBR-UHFFFAOYSA-N 372.424 4.173 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@H](C)c2ccccc2Cl)c1 26379393 SXTTXMAIPVYGIF-QWHCGFSZSA-N 359.857 4.420 0 40 FIAB COc1c(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc(Cl)c1Cl 27824123 MPXMAGBQCGKNKD-SNVBAGLBSA-N 372.273 4.142 0 40 FIAB Cc1ccc2nc(NC(=O)c3ccc(NC(=O)C(C)C)cc3)sc2c1 28250715 PGANJFBJLMTEPL-UHFFFAOYSA-N 353.447 4.452 0 40 FIAB CC(C)c1ccc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1 31249351 CQRWIESNHMSLKR-GJZGRUSLSA-N 372.896 4.459 0 40 FIAB CCc1cc(OC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)ccc1Cl 32738067 RUEDGEXFSABFFH-UHFFFAOYSA-N 370.836 4.160 0 40 FIAB Cc1cccc2sc(C(=O)NCCc3cn4ccccc4n3)c(Cl)c12 32906440 LPWIYYMGJFCOBY-UHFFFAOYSA-N 369.877 4.483 0 40 FIAB CCc1ccc2c(c1)c1nnc(SCc3nc4ccccc4[nH]3)nc1n2C 35312715 FSWINGZURDHWCB-UHFFFAOYSA-N 374.473 4.248 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)c(F)c2)cc1 36360713 YIMRCZJFERNPSD-AWEZNQCLSA-N 355.344 4.283 0 40 FIAB O=C(Nc1ccccn1)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36615891 NOESJTBBNSJWGA-UHFFFAOYSA-N 373.391 4.084 0 40 FIAB O=C(N1CCC(c2nnc(C3CC3)o2)CC1)C1(c2cccs2)CCCC1 38518808 RQMRTPYUSBVBHQ-UHFFFAOYSA-N 371.506 4.227 0 40 FIAB Cc1nc(S)sc1CC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 40033978 JOMXCXKKBHCHFS-UHFFFAOYSA-N 371.531 4.170 0 40 FIAB CSc1nnc(NC(=O)c2ccccc2CCc2ccccc2)s1 40965937 AUZZFEQNJQDPAS-UHFFFAOYSA-N 355.488 4.298 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 41019329 WEXQUBKOJGWEGT-UHFFFAOYSA-N 352.365 4.255 0 40 FIAB CCc1cccc(C)c1NC(=O)N1CCc2cc(OC)c(OC)cc2C1 43156148 BXLQPUWEFUUVGI-UHFFFAOYSA-N 354.450 4.165 0 40 FIAB Cc1cc(C(=O)CCC(=O)N2CCC(Nc3ccccc3)CC2)c(C)s1 48291878 MOVOIWQFXPHLII-UHFFFAOYSA-N 370.518 4.431 0 40 FIAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 72377051 IVGPOFNQGPRVDL-SFHVURJKSA-N 368.456 4.109 0 40 FIAB CC(C)n1cc(CC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 79476626 MXSIUTBTCMSNDE-QFIPXVFZSA-N 362.473 4.365 0 40 FIAB Cc1nc(C)c([C@@H](C)NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)s1 84008089 SLLCXCSIDGUJOM-OAHLLOKOSA-N 366.552 4.342 0 40 FIAB O=C1OCCN1CCCN1CCC(=Cc2cc(Cl)ccc2Cl)CC1 84341443 PTTZGFYEISZMPO-UHFFFAOYSA-N 369.292 4.315 0 40 FIAB O=C(N1CCO[C@H](c2ccc(F)cc2)C1)C1(c2cccs2)CCCC1 85473035 JGSXBZRRKIMBQZ-KRWDZBQOSA-N 359.466 4.299 0 40 FIAB CN(C)[C@@H]1CCCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)C1 95946645 OMQCUQQUDXGSQQ-DPCFLFMUSA-N 358.482 4.120 0 40 FIAB COc1ccc(-c2csc(CNC(=O)c3cc(C)cc(O)c3)c2)cc1 95963137 NSDMRRHTFALTLN-UHFFFAOYSA-N 353.443 4.368 0 40 FIAB CCN(C)C(=O)c1cnc(-c2noc3cc(-c4cccnc4)ccc23)s1 96266560 JQFCPAPRWMTBIK-UHFFFAOYSA-N 364.430 4.105 0 40 FIAB CC(C)(C)c1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)s1 97016926 CZFBDKBUQMDTTM-NSHDSACASA-N 372.416 4.131 0 40 FIAB CC1=C[C@H](c2ccccc2)n2nc(NC(=O)c3ccc(Cl)cc3)nc2N1 100849648 YZUSTXUQQPFZDO-MRXNPFEDSA-N 365.824 4.103 0 40 FIAB Cc1ccnc(-c2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)[nH]2)c1 111665019 UJCUYXZQOVFWQQ-UHFFFAOYSA-N 351.406 4.470 0 40 FIAB Cc1ccc(Br)cc1C(=O)Nc1cccc(-n2ccnc2)c1 124802955 RNJROTWOARLRDU-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 219070156 BROARWUKDFRBQM-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 219535835 CTTRFVHPGODFFJ-WMZOPIPTSA-N 371.477 4.355 0 40 FIAB COc1ccc(CCC(=O)NCCOc2ccccc2C(C)C)cc1C 223831761 JPAVFFNKLDJEDV-UHFFFAOYSA-N 355.478 4.255 0 40 FIAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1cccc(OC)c1 224584372 UVSAFATWHSMROZ-UHFFFAOYSA-N 357.450 4.059 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(Cl)cc1 224991330 RQZATEOVARDJPM-UHFFFAOYSA-N 368.260 4.346 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@H]2CCCc3ccccc32)ccc1Cl 225460716 MYNFBEFOMJZADI-KRWDZBQOSA-N 374.893 4.491 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc3c(c2)CCCC3)cc1C 225835644 IAIVVLPGSJKUDL-SFHVURJKSA-N 367.489 4.145 0 40 FIAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3Br)nn2)cc1 408531630 VJPHPBBIGOIAGU-UHFFFAOYSA-N 369.218 4.434 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2C)cc1C 409095875 DUUNALSTKKJYQC-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)c2ccccc2)c1 409373483 WQIPBVHELFZJAT-LGGPRVQUSA-N 371.436 4.090 0 40 FIAB C[C@H](Cc1ccc(O)cc1)N(C)Cc1c[nH]nc1-c1cccc(Cl)c1 539830584 GNXSFQSYLRZUTG-CQSZACIVSA-N 355.869 4.499 0 40 FIAB CSCCc1ccccc1NC(=O)N1CCC[C@H](n2nc(C)cc2C)C1 603088314 HZAQQXMKYVOOBE-SFHVURJKSA-N 372.538 4.274 0 40 FIAB CC(C)(NC(=O)c1cc(O)nc(C2CC2)c1)c1ccc(C(F)(F)F)cc1 1153420545 MUONBXPVHVYDDV-UHFFFAOYSA-N 364.367 4.349 0 40 FIAB CC(C)[C@@H]1CN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CCS1 1294156440 JSTMVYLDSLPQQU-KRWDZBQOSA-N 355.463 4.037 0 40 FIAB Cc1cccnc1C(=O)N1CCC[C@@]12CN(c1ccc(F)cc1)C(C)(C)C2 1615119138 HUOVGXLUEDSVJH-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB CCc1s/c(=N\c2ccc(OC)cc2)n(CCO)c1-c1ccc(C)cc1 622730 PWZKOJFRFBXCQK-DQRAZIAOSA-N 368.502 4.321 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1C 812052 SQHOYJUHJQPXBV-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB Cc1cc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc(C)c1Cl 851403 RHVDEFBKIHMQEU-UHFFFAOYSA-N 372.804 4.356 0 40 FIAB O=C(N[C@H](Nc1ccccc1F)C(=O)c1ccc(Cl)cc1)c1ccco1 913239 JJQCCZZBUVKRRU-SFHVURJKSA-N 372.783 4.123 0 40 FIAB CC(C)(C)OC(=O)COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1 1236738 KQLPAHIVSMOXBD-UHFFFAOYSA-N 370.376 4.320 0 40 FIAB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2c2ccccc12 1924426 RYCKYAGQKFNCOW-AWEZNQCLSA-N 362.458 4.310 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)c1 2573599 UNUGAIHLCVBZPH-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(C)c(C)c(C)n2)c1C 2627505 ZYEBSWSTRZGBJH-LBPRGKRZSA-N 361.511 4.003 0 40 FIAB Cc1ccc(C(C)C)c(OCCCN2C(=O)C(=O)c3cc(C)ccc32)c1 2706839 ZEOUVLGRWTXNSC-UHFFFAOYSA-N 351.446 4.425 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(Br)cc1 3180834 WGUYFOVBHSDYBZ-SOFGYWHQSA-N 371.028 4.457 0 40 FIAB O=c1ccc2ccc(Oc3ncnc4sc5c(c34)CCCC5)cc2o1 3243113 MEHRNZMVXVALKL-UHFFFAOYSA-N 350.399 4.469 0 40 FIAB COc1ccccc1C(=O)N1CCN=C1SCc1ccc(Cl)cc1 4120058 HRBJQCVKPIJRHJ-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB Cc1cc(C)c(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 4625055 IBMOCCWOSPWSRU-FQEVSTJZSA-N 361.420 4.487 0 40 FIAB CCCCc1cc(=O)oc2cc(O[C@@H](C(=O)OC)c3ccccc3)ccc12 4747506 OKHNWFQZPXOLGU-OAQYLSRUSA-N 366.413 4.429 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1 4767549 APLCDUPZXZIXHB-SNVBAGLBSA-N 368.216 4.215 0 40 FIAB CC(C)Oc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1 5060160 XIPXYDQCHJLBJI-UHFFFAOYSA-N 360.413 4.226 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1C 5374099 ACCZJMADQHMXBS-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nnc2ccccn12 5451829 RNFJAARHFLXFCA-HNNXBMFYSA-N 358.401 4.013 0 40 FIAB O=C(COc1ccccc1Cc1ccccc1)Nc1ccc2c(c1)OCO2 5555778 LXUJBBZOELKLTJ-UHFFFAOYSA-N 361.397 4.024 0 40 FIAB O=C(Nc1ccccc1)c1ccccc1NC(=O)C(Cl)(Cl)Cl 5774616 WVAKEKQWKJKYJJ-UHFFFAOYSA-N 357.624 4.248 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 6052323 JNXOMOTUJCSTEV-OXJNMPFZSA-N 367.445 4.331 0 40 FIAB CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)cc1 6124731 VVCIJAZCCJWRKM-UHFFFAOYSA-N 352.415 4.354 0 40 FIAB CCn1nnc2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc21 6787474 GNMGDRAGUHDBSL-UHFFFAOYSA-N 358.401 4.496 0 40 FIAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 6818784 RDYQZJMAWJUJCN-UHFFFAOYSA-N 369.465 4.443 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 6956822 XFHFUOACJDREBL-UHFFFAOYSA-N 363.211 4.270 0 40 FIAB COc1ccccc1-c1noc(COc2ccccc2Br)n1 7477988 JEHXLRLMKAOIKC-UHFFFAOYSA-N 361.195 4.087 0 40 FIAB O=C(c1ccc(Cl)cc1F)N1CCN(c2cccc(Cl)c2)CC1 7848455 GDUYWDNKSKHWRC-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB COC(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)cc1 7995961 OCVIAVOVDWNDSC-UHFFFAOYSA-N 352.415 4.157 0 40 FIAB C[C@H](O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 8177660 RVMBOKLYWGIXJH-ZDUSSCGKSA-N 362.458 4.213 0 40 FIAB C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccccc1 8193150 WFUTWPLVGUEYJH-SUMWQHHRSA-N 350.447 4.181 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1cccc2ccccc12)c1ccccc1F 8216457 ZOIGYXGSZBHHOR-JOCHJYFZSA-N 373.431 4.161 0 40 FIAB Cc1csc(-n2c(C)cc(C3=NN=C(NC4CCCC4)SC3)c2C)n1 8314970 YMQGVBSQOHNIBZ-UHFFFAOYSA-N 373.551 4.198 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1 8325471 VMAONBYLNIXUKS-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 8959778 ZXBMTBLDPKNTJZ-UHFFFAOYSA-N 372.490 4.408 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)c(C)c1 10446297 GIHNWQUWKGAYEE-HNNXBMFYSA-N 357.475 4.432 0 40 FIAB CSc1ccccc1C(=O)NCc1c(C)nn(Cc2ccccc2)c1C 10902149 GVYHKDHHNSUSIW-UHFFFAOYSA-N 365.502 4.200 0 40 FIAB O=C(Nc1ccc(Br)cc1C(=O)O)c1ccccc1Cl 11613925 KCEOISZLTRMNGB-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB CC[C@@H](C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccccc1 12115017 UEEUZEVBQVDJBV-VQIMIIECSA-N 369.415 4.098 0 40 FIAB CCn1cc(CN2[C@H]3CC[C@@H]2c2cnc(C)nc2C3)c2cc(OC)ccc21 12143992 PPWNRQKEAYXUQG-KSFYIVLOSA-N 362.477 4.030 0 40 FIAB Cc1ccccc1-c1noc([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 12416182 QPEUBEMDDQUJRI-ZDUSSCGKSA-N 353.809 4.219 0 40 FIAB COc1cc(Nc2nc(-c3cccnc3)nc3ccccc23)cc(OC)c1 12545485 RXFGHUSAAPRKLY-UHFFFAOYSA-N 358.401 4.453 0 40 FIAB Cc1ccc(-c2cc(C(=O)OCc3cccnc3)c3c(C)noc3n2)s1 12550376 ARMRRYVFKVOZFK-UHFFFAOYSA-N 365.414 4.320 0 40 FIAB COc1ccc(/C=C/C(=O)N(c2ccccn2)C2CCCCC2)cc1OC 12601501 YSVXHIHWZLGYLG-WYMLVPIESA-N 366.461 4.478 0 40 FIAB C[C@H]1C[C@H](C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 12763130 IWSXDFHTBYOYEO-IRXDYDNUSA-N 360.461 4.052 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(=O)c3occc3C)cc2)cc1 12998522 KRIKCABUMUBXAA-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB COc1ccc([C@H](CC(=O)Nc2cccc3ccccc23)NC(C)=O)cc1 14117713 VODAKKGHXTUAPH-NRFANRHFSA-N 362.429 4.054 0 40 FIAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N(Cc1ccccc1)c1ccccn1 14119326 OAIOJKYGDTZSSU-IBGZPJMESA-N 364.832 4.272 0 40 FIAB O=C([C@@H]1CC1(Cl)Cl)N1CCC(c2nc3ccccc3s2)CC1 14141986 LUBONKYAIWNWGW-NSHDSACASA-N 355.290 4.196 0 40 FIAB COc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1Cl 14207550 YMVZIHRDNGKQNU-UHFFFAOYSA-N 357.797 4.323 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2C)cc1 15300645 OYFFPOCBRQYALS-UWJYYQICSA-N 352.478 4.018 0 40 FIAB Cc1cccc(NC(=O)CN2CCc3cc(-c4csc(C)n4)ccc32)c1 16312539 CFXASXQGIRVKEP-UHFFFAOYSA-N 363.486 4.428 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 17744203 LBWIFHXJRPTSHQ-UHFFFAOYSA-N 354.841 4.249 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N[C@H](c1cccnc1)C2 19550767 DWYCTLWGZXRAJX-UGKGYDQZSA-N 364.420 4.214 0 40 FIAB Cc1ccccc1Cc1nc2n(n1)N=C(c1ccc(Cl)cc1)CS2 19910210 KQZSNBOVMDMXTE-UHFFFAOYSA-N 354.866 4.189 0 40 FIAB CCCCC(=O)Nc1ccc(-c2nc3ccccc3o2)c(OCC(=O)O)c1 20158077 XHPIGUNUIOAZPN-UHFFFAOYSA-N 368.389 4.087 0 40 FIAB CN(C)[C@H](CNCc1c(OC(F)F)ccc2ccccc12)c1ccco1 22787493 JDFOMXARAYZZTJ-QGZVFWFLSA-N 360.404 4.427 0 40 FIAB O=C(c1ccc(OCc2cccnc2)cc1)N1CC[C@@H]2CCCC[C@@H]2C1 23113962 IIZDIDKMIAESAL-AZUAARDMSA-N 350.462 4.313 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc2cccnc12 24391861 HJQGELUYHBNIKY-UHFFFAOYSA-N 359.473 4.497 0 40 FIAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H]1Cc1ccccc1 25169215 DWHLPIPKUOSEBI-FQEVSTJZSA-N 353.487 4.011 0 40 FIAB COc1ccc(OC)c(NC(=O)CN(C)[C@H](C)c2cc3ccccc3o2)c1 32754448 DNCJDPGYRHANTF-CQSZACIVSA-N 368.433 4.082 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)c2ccoc2)C1 32764567 HHVCMGSFIPYBCD-KRWDZBQOSA-N 374.440 4.022 0 40 FIAB COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)no1 32830193 JYJMBXFKZKPFSJ-LBPRGKRZSA-N 356.809 4.495 0 40 FIAB O=C(O)c1cccc(CSCc2cc(=O)oc3cc4c(cc23)CCC4)c1 32885586 BPQPFJFISMIJMM-UHFFFAOYSA-N 366.438 4.413 0 40 FIAB Cc1nc(C2(NC(=O)c3csc(-c4ccccc4)n3)CCCCC2)no1 32899174 ANOWZOMGZHDFJN-UHFFFAOYSA-N 368.462 4.091 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)cc1C 32909230 SXIBJKOOFDGABC-UHFFFAOYSA-N 357.397 4.143 0 40 FIAB CCCC[C@H](CC)CNC(=O)c1nc(NCc2ccco2)ncc1Cl 32922030 BBUWEWZGVQEMEL-ZDUSSCGKSA-N 364.877 4.281 0 40 FIAB Cc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(Cl)c2[nH]1 33063789 FAZQJFITSAPAFF-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 33734109 NETUUBJCTJNUCG-UHFFFAOYSA-N 372.881 4.088 0 40 FIAB COc1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccccn23)c1 35616519 KHDBNCXUQBJHGE-UHFFFAOYSA-N 361.401 4.468 0 40 FIAB COc1ccccc1-c1csc(NC(=O)CSCc2ccccn2)n1 48225587 RBKWQPHEGSAEPU-UHFFFAOYSA-N 371.487 4.086 0 40 FIAB Fc1ccccc1N1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1 52530345 PPIQNGFQGGDHTM-UHFFFAOYSA-N 371.843 4.456 0 40 FIAB Cc1cc2ccccc2n1CCC(=O)N(C)Cc1cc(-c2cccnc2)no1 55119227 WCXUOVNJAIHTKG-UHFFFAOYSA-N 374.444 4.048 0 40 FIAB Fc1ccc(-c2cnc(CN3CCN(c4ccccc4Cl)CC3)o2)cc1 57554326 OISFNQZNPPCKEP-UHFFFAOYSA-N 371.843 4.456 0 40 FIAB COc1ccc(N(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[C@@H](C)C2CC2)cc1 58171923 LNIBIYZOBQRPAT-RBZFPXEDSA-N 371.864 4.484 0 40 FIAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cccc(C3SCCCS3)c2)cn1 69159244 ZNCOMNCVOBKFQA-CVEARBPZSA-N 359.520 4.031 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(Br)s1 69726800 MVXGGMAZLZFDNH-INIZCTEOSA-N 373.275 4.425 0 40 FIAB O=C(c1csc2c1CCCC2)N1CCCN(Cc2ccc(F)cc2)CC1 69929093 FYZVWJJLJRLSSR-UHFFFAOYSA-N 372.509 4.114 0 40 FIAB O=C(Nc1cccc(-n2cnnc2)c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 71804299 KQJBMPSCMKIGEG-CVEARBPZSA-N 372.350 4.028 0 40 FIAB COc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)nc2c(C)cc(F)cc12 72329525 UTGPGNFZCGECQE-LBPRGKRZSA-N 356.372 4.321 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 78535733 SOJSQJNTHDWJKK-HNNXBMFYSA-N 366.461 4.303 0 40 FIAB Cc1ccc(-c2nc(CN3CCC(=O)N(C)c4cc(F)ccc43)cs2)o1 78969315 FFILZFPMRJZNTE-UHFFFAOYSA-N 371.437 4.224 0 40 FIAB O=C(N[C@H](CCO)c1cccs1)c1ccc(-c2ccc(F)cc2)s1 84436980 ZXERTZWVBVOBHD-CQSZACIVSA-N 361.463 4.469 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1cccc[n+]1[O-] 84562637 CTDGWTXBXQZNGS-UHFFFAOYSA-N 358.319 4.258 0 40 FIAB Cn1nc(CNC(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccco1 85471393 OYCMLKLCDUMQML-UHFFFAOYSA-N 364.327 4.021 0 40 FIAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 95466107 JKSWQEKCGQVFMO-GDBMZVCRSA-N 360.860 4.120 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](Cc1ccccc1)C1CC1 95466639 NBOWIQICNHVCPE-SFHVURJKSA-N 372.896 4.206 0 40 FIAB O=C(N[C@@H]1CCOC1)c1oc2ccccc2c1CSc1cccs1 95973245 IQRDGHLGRVTRCZ-GFCCVEGCSA-N 359.472 4.305 0 40 FIAB COc1cc(/C=C(/C(=O)N2CCC[C@H](C)C2)c2ccccc2)ccc1O 96004269 YKJMBBGPIUFTCC-HUCUOGIVSA-N 351.446 4.200 0 40 FIAB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cscn1 97548854 KXLUFOAHVWNWGP-UHFFFAOYSA-N 372.321 4.044 0 40 FIAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2cc(F)cc(F)c2)CCC1 102679980 WAAQOZPFGZWWIW-ZDUSSCGKSA-N 370.281 4.247 0 40 FIAB CCOc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 105118647 UQHQGFVDIODDAP-OSFYFWSMSA-N 353.409 4.241 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 219074555 VDHVSOCPZWDYPG-WMZOPIPTSA-N 371.477 4.355 0 40 FIAB CN1CCN(c2ccc(NC(=O)CCc3cccc4ccccc34)cc2)CC1 222680993 HNGKPJRMEKSADV-UHFFFAOYSA-N 373.500 4.163 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 222808228 RECKQXBVNQRXJM-OALUTQOASA-N 354.523 4.381 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 224091338 UHJZZDOWUBJPAJ-SFHVURJKSA-N 355.478 4.389 0 40 FIAB COc1cc(C)c(S(=O)(=O)N2CCCc3ccccc32)cc1C(C)C 224785471 KTSKSPOYWCVFTN-UHFFFAOYSA-N 359.491 4.269 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225167511 SOZXLIRTUYLVML-ZWKOTPCHSA-N 351.490 4.470 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(OCC)cc2)c(C)c1 225431569 CUHBZJVRWNOWHD-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2OCC)c(C)c1 225443096 ULFLWQHGRFETSO-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC 408548695 LIAWBGVXFIVOKV-WQRHYEAKSA-N 369.442 4.249 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(O)c3c(C)csc3n2)cc1C 408597001 XUTNCISUQZEMJE-UHFFFAOYSA-N 359.476 4.053 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 408701509 ZBEVPUVKOGEFSA-UHFFFAOYSA-N 357.834 4.412 0 40 FIAB O=C(Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2)c1ccco1 409110787 YQAZUVHSYQWODM-UHFFFAOYSA-N 367.430 4.120 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc(C)o2)c2cnn(C(C)C)c2n1 604731294 AZHNFGQMOPVCLP-KRWDZBQOSA-N 352.438 4.199 0 40 FIAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC(Nc2ccc(F)cc2)CC1 67592921 GZZGPPFPFZTVHT-VQTJNVASSA-N 356.416 4.171 0 40 FIAB Cc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c2ccccc2n1 2621858 FEWFQJSWHFGLPQ-UHFFFAOYSA-N 362.429 4.142 0 40 FIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1Cl)C2 1369878 FABPAWUGIBMLHM-HUUCEWRRSA-N 351.947 4.422 0 40 FIAB O=C1O[C@H](Oc2ccccc2O[C@H]2OC(=O)c3ccccc32)c2ccccc21 1591643 JDJZNSVKURNQJL-VXKWHMMOSA-N 374.348 4.183 0 40 FIAB CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 2461000 NKGWJNSCBKLCLK-UHFFFAOYSA-N 363.435 4.344 0 40 FIAB CC(C)c1cc(C(=O)OCC(=O)N(C(C)C)C(C)C)c(O)c(C(C)C)c1 3334448 UTRUHLOKIHSVTQ-UHFFFAOYSA-N 363.498 4.441 0 40 FIAB O=C(COc1ccccc1Cl)Nc1ccc(Cc2ccncc2)cc1 3904507 AJROIQVCYFSYIX-UHFFFAOYSA-N 352.821 4.343 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2O)on1 3908584 MAAOJPIKAWNXPU-UHFFFAOYSA-N 359.179 4.062 0 40 FIAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(OC)cc32)cc1 4129703 WKYFJEJALCGUPJ-UHFFFAOYSA-N 371.440 4.446 0 40 FIAB COc1ccc2cc(CN(C)C(=O)[C@@]3(C)CC3(Cl)Cl)ccc2c1 21558095 RGOCEJSHUVKGLE-QGZVFWFLSA-N 352.261 4.391 0 40 FIAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCC(C)CC1 4847727 BJGHTBLWPFMQBA-QGZVFWFLSA-N 361.921 4.293 0 40 FIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1 7759149 FORXRQAQYWFCPZ-KPKJPENVSA-N 353.809 4.062 0 40 FIAB Cc1cccn(C(=O)c2nc(Cl)ccc2Cl)/c1=N/C1CCCCC1 102541573 OIHABJAOPSPNIR-HEHNFIMWSA-N 364.276 4.420 0 40 FIAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc2c1CCCC2 32908259 PNLZPYZSYZGFQR-UHFFFAOYSA-N 353.447 4.248 0 40 FIAB CCOc1cc(C=O)ccc1OCc1nc(-c2cccc(Cl)c2)no1 8006781 OBJMYJCOPMHEAA-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCC 8253902 SLNFALJGAMGDET-UHFFFAOYSA-N 363.841 4.125 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2noc(-c3ccccc3C)n2)c1 21806709 KYBCXFVLHGDIAH-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB COc1ccc(CC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1 28247354 JYORDWGHAQBDFG-UHFFFAOYSA-N 371.440 4.274 0 40 FIAB S=C(Nc1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423160 YPIBUBIYOPUOIL-WOJBJXKFSA-N 351.519 4.169 0 40 FIAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(N)=O)C1 997810 DSDHDPACYCJGPZ-LLVKDONJSA-N 350.528 4.373 0 40 FIAB O=C(NCc1nc(C2CC2)no1)Nc1ccc(Oc2ccccc2)cc1 47325880 KLYIKEHDFKZRTL-UHFFFAOYSA-N 350.378 4.061 0 40 FIAB Cc1nn(CC(=O)O)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 20604458 QQWXPMZPLLOPAD-UHFFFAOYSA-N 369.730 4.164 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1csc(-c2ccccc2)n1 15832407 OPZRXTFYVRNMNR-SFHVURJKSA-N 370.449 4.423 0 40 FIAB COc1cc(C)ccc1OCc1nnc(SCc2ccc(F)cc2)n1C 107905809 CYLOWTMBSYSEEN-UHFFFAOYSA-N 373.453 4.143 0 40 FIAB OC[C@H](CNc1nc(-c2ccsc2)nc2ccccc12)Cc1ccco1 24206401 PZACJXZBKVFYCH-AWEZNQCLSA-N 365.458 4.214 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3cc(C)sc3C)cc2C)CC1 24769040 GBRAXIXTVJYFBQ-UHFFFAOYSA-N 357.523 4.068 0 40 FIAB CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(C(F)(F)F)ccc21 22236649 FINYHVGRPBCLEA-UHFFFAOYSA-N 366.383 4.103 0 40 FIAB CN(C)Cc1ccc(CNC(=O)Nc2ccccc2N2CCCCC2)cc1 57858394 MYIRBJKIYQQMQZ-UHFFFAOYSA-N 366.509 4.060 0 40 FIAB N=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCCC1 58159550 XFSFZNOADBTHDY-UHFFFAOYSA-N 359.477 4.096 0 40 FIAB COc1ccc([C@H](NC(=O)NCCOc2ccc(C)cc2C)C2CC2)cc1 10277864 IZMSKFBPCIXWQC-OAQYLSRUSA-N 368.477 4.141 0 40 FIAB CCCCCCSc1nnc2c(n1)O[C@@H](C)N(C(C)=O)c1ccccc1-2 2104325 QDMAPMLSMWYAFI-AWEZNQCLSA-N 372.494 4.302 0 40 FIAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1C 3309569 FITWYKKSQTVQJA-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(F)cc1 2284562 AIYHPOCPTWHRNX-UHFFFAOYSA-N 357.410 4.293 0 40 FIAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)ccc1O 36366839 QSYYXTRLNFTPMG-GFCCVEGCSA-N 369.808 4.364 0 40 FIAB O=C(NCCc1cn2ccccc2n1)N1CCC[C@H]1c1ccc(Cl)cc1 45426246 HDVKRJVTPPLWBO-SFHVURJKSA-N 368.868 4.077 0 40 FIAB O[C@@](Cc1noc2ccccc12)(c1nc2ccccc2s1)C(F)(F)F 12788511 PJMKBVFAJMRGTO-INIZCTEOSA-N 364.348 4.430 0 40 FIAB COc1cccc(/C=C2\SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)c1 59378322 DYWMKODKWSJKCN-WQRHYEAKSA-N 368.458 4.418 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ccc(F)cc1 3458863 LKVJBTTVYWLYAG-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(Cl)c1 7771149 QNAZZPFRHFEXJP-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB CSc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 12980692 FLPLELDAKQHJPL-OAHLLOKOSA-N 360.504 4.103 0 40 FIAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)O)c1 13094938 MAZDBJWXCLKNMW-UHFFFAOYSA-N 368.216 4.489 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)NCc3ccc(F)cc3)cs2)cc1 18185277 HWGJDYIPGCHXJQ-UHFFFAOYSA-N 370.449 4.029 0 40 FIAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)NC1CCCCC1 8013664 QRGWKVZVSDCNJN-UHFFFAOYSA-N 362.477 4.097 0 40 FIAB O=C(O[C@H]1Cc2ccccc2[C@H]1OC(=O)c1ccccc1)c1ccccc1 4127826 NVNKVYOSQLPZOM-LEWJYISDSA-N 358.393 4.366 0 40 FIAB CN(Cc1ccc(Cl)s1)c1cnn(-c2ccccc2)c(=O)c1Cl 8120308 CNKPWZBQYJDWAL-UHFFFAOYSA-N 366.273 4.237 0 40 FIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)[C@@H]1COc2ccccc2C1 16709849 CQBYJFSFOQUTKH-BBRMVZONSA-N 359.878 4.244 0 40 FIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F 16751969 JCOOIWSVXHEWBR-SFHVURJKSA-N 351.377 4.277 0 40 FIAB CCCCNCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6399191 CHVIABYJXVEWCA-QGZVFWFLSA-N 359.857 4.000 0 40 FIAB O=C(c1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8745033 BMYQTWPWVGMDNV-IBGZPJMESA-N 362.429 4.307 0 40 FIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(Br)c1 5441655 KGCNCWOZSGKPGM-UHFFFAOYSA-N 373.250 4.218 0 40 FIAB CCOC(=O)[C@@H](Oc1ccc2c(C)c(C)c(=O)oc2c1)c1ccccc1 4747406 JFESZLJARCLWKE-IBGZPJMESA-N 352.386 4.093 0 40 FIAB COc1ccccc1-c1noc(CSc2nc3cc(C)ccc3[nH]2)n1 6721547 DQEDHBXCVRJHLD-UHFFFAOYSA-N 352.419 4.222 0 40 FIAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc2c(c1)CCC2 7055710 RJTJDAYPZOXGAM-UHFFFAOYSA-N 371.458 4.018 0 40 FIAB Cc1nc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C(F)(F)F)cc2nc1C 84057374 ORFLPOQQXYESCQ-KBPBESRZSA-N 351.372 4.098 0 40 FIAB COc1ccc(C(=O)Nc2nnc(CSc3ccccc3)s2)cc1 9426447 WVGTUQWKZWOTBL-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB CC(C)c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889845 SQDDEMGPZOSMRT-UHFFFAOYSA-N 351.244 4.052 0 40 FIAB O=C(c1c(O)cc(F)cc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 95385761 LAXFNKYREAFWMF-UHFFFAOYSA-N 356.372 4.172 0 40 FIAB COc1ccc2nc(S[C@@H](C(=O)N3CCCC[C@H]3C)C(C)C)[nH]c2c1 84692142 MALIGIDQISSWST-CXAGYDPISA-N 361.511 4.089 0 40 FIAB CCc1onc(C)c1NC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 95942607 ZAHHTIDBHZZRFL-UHFFFAOYSA-N 356.348 4.274 0 40 FIAB O=C(NCCCC1(C2OCCO2)CCCCCC1)[C@H]1C[C@H]1c1ccccc1 75148593 RGKOFLANAACVJC-PMACEKPBSA-N 371.521 4.400 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 20461951 XFRXPOPNZWZWKJ-SFHVURJKSA-N 357.519 4.429 0 40 FIAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2ccncc2)CC1 306139386 SVWFEAZZHDZKQX-UHFFFAOYSA-N 374.488 4.410 0 40 FIAB CNc1ncccc1CN1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72350262 ZAXLACUKGAEPJD-HXUWFJFHSA-N 372.516 4.489 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1ccnc1 30849675 UDOIUOMZCFJEEF-AWEZNQCLSA-N 371.893 4.323 0 40 FIAB CC(C)Sc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72217581 GUSJGFYADZABGM-UHFFFAOYSA-N 352.500 4.460 0 40 FIAB Cc1cn(S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(-c2ccccc2)n1 32603654 OGUPHPWYOSICNJ-UHFFFAOYSA-N 354.475 4.329 0 40 FIAB Cc1nc2cc(N[C@@H](C)C(=O)N[C@H](C)CCc3ccccc3)ccc2o1 39975597 NDJMQYBJHXFGQS-CABCVRRESA-N 351.450 4.074 0 40 FIAB Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C 223378529 FIQOOEHMOLTKKY-UHFFFAOYSA-N 363.461 4.253 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)NCC1(CC(=O)O)CCCCC1 40268022 OASTZQLORCUUTO-UHFFFAOYSA-N 372.490 4.274 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1Cl)CC(C)(C)O2 225440493 UUZXMNVXWSGQLI-QGZVFWFLSA-N 359.853 4.310 0 40 FIAB CC(=O)N(CC(C)C)c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1 40284016 MMGXHLPAGJCZNM-UHFFFAOYSA-N 370.478 4.194 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)S1 222622423 WOVUKKKQZPXSHH-XPGWFJOJSA-N 360.486 4.462 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224134164 JKPFIYZYNFXSLJ-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)ccc1F 224913909 MOOKKNNYEDUNGK-RBUKOAKNSA-N 366.465 4.045 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 225379324 IMSRSKULAWRFPC-OAHLLOKOSA-N 367.445 4.148 0 40 FIAB Cc1ccc(C(=O)N2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cc1C 248159426 NSUPYBQMCSEWCR-NRFANRHFSA-N 371.521 4.131 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1Cl 260818236 YPIWGANFFSXICF-CKFHNAJUSA-N 369.889 4.288 0 40 FIAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4ccccc4)[C@@H]3C[C@H]21 585261639 QUMUHYQWMKCVQO-UKAVVXHISA-N 363.457 4.219 0 40 FIAB Cc1ccc(C)c(OC2CCN(Cc3nc(O)c4sccc4n3)CC2)c1 58208705 NWVRFEWSCUKJII-UHFFFAOYSA-N 369.490 4.057 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 65489247 CGMHGQFQHLMZQQ-ROUUACIJSA-N 365.864 4.254 0 40 FIAB Cc1cc(C)c(SCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1 5787256 GELTXXFSGVFDGH-UHFFFAOYSA-N 356.491 4.044 0 40 FIAB Cc1ccccc1CCn1cnc2c(-c3ccc(F)cc3)nsc2c1=O 12146002 WZOPEVHLXPEOQK-UHFFFAOYSA-N 365.433 4.210 0 40 FIAB CC(C)n1c([C@@H](C)NC(=O)C2C3CC4CC(C3)CC2C4)nc2cccnc21 12220596 ACZGOMWMQJJGRG-ZXZQKFIBSA-N 366.509 4.262 0 40 FIAB COc1ccc(-n2c(S)nnc2COc2cccc3ccccc23)cc1 13535149 UEFCKWJOTZLHCQ-UHFFFAOYSA-N 363.442 4.297 0 40 FIAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccccc2OC)CC3=O)cc1 14164271 STFIAZNDEKUDSQ-OAHLLOKOSA-N 362.429 4.111 0 40 FIAB CCCc1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cn1 19525793 YALMPFORSXQCOG-SCPDWHHUSA-N 365.521 4.500 0 40 FIAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2Cc1ccccc1-c1ccccc1F 19713171 YTBVYKDIBIKNSU-FCHUYYIVSA-N 366.480 4.468 0 40 FIAB CCN1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccc(C(=O)OC)cc1 8363744 ACSNGVWHRXGIOZ-DCOUVPPESA-N 372.471 4.159 0 40 FIAB COc1ccc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2)c(O)c1 514287830 DBUKHGTUAMZHKC-CYBMUJFWSA-N 356.418 4.039 0 40 FIAB biogenic,in-vitro Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C)c2nc(N)sc2c1 226312147 JOXXWNZEMVNDLJ-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB COc1ccccc1-c1nnc(SCCC(=O)Nc2ccccc2C)o1 6861094 HMNKOZHSDHFOTD-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB O=C(COc1ccccc1Br)NCC1(c2ccccc2)CCC1 22353649 LXDYPLZKZXMLPT-UHFFFAOYSA-N 374.278 4.066 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2cccc(C)c2)s1 4079047 XXCOWBMPVJQTOU-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CCc1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)[nH]2)cc1 8770074 FQNAVBIYEHESOI-UHFFFAOYSA-N 367.474 4.379 0 40 FIAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)o2)c(C)o1 11835511 ABKPCRFNALWCAU-UHFFFAOYSA-N 361.398 4.125 0 40 FIAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CCS[C@@H](c2ccccc2)CC1 206986690 FHRJIRIYJMFAOR-HXUWFJFHSA-N 363.486 4.397 0 40 FIAB Cc1cc(OCC(=O)Nc2ccccc2C)nc(-c2ccc(Cl)cc2)n1 49006957 JHQHGKFUVHXDPU-UHFFFAOYSA-N 367.836 4.431 0 40 FIAB Cc1ccc(N[C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)c(F)c1 38773136 ZEGAKHZJYZIAPS-LBPRGKRZSA-N 362.474 4.472 0 40 FIAB O=C(C1[C@@H]2CCCC[C@@H]12)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 100749593 SNMDIRNDGXSROL-JPVHLGFFSA-N 370.512 4.089 0 40 FIAB O=C(Nc1ccnn1Cc1ccccc1)c1cnc(-c2ccccc2)s1 40130729 WHQSFXPEUZZJHX-UHFFFAOYSA-N 360.442 4.307 0 40 FIAB O=C1O[C@@H](/C(=C\Nc2ccc(Cl)cc2Cl)[N+](=O)[O-])c2ccccc21 100472668 UEPIEZULJUUGTH-UJMHRVFCSA-N 365.172 4.435 0 40 FIAB CC(C)c1ccc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)cc1 31249347 CQRWIESNHMSLKR-LSDHHAIUSA-N 372.896 4.459 0 40 FIAB Cc1nn2c(C(=O)O)cc(-c3ccc(Cl)c(Cl)c3)nc2c1Cl 20617286 NPHAMIAFKMGGOQ-UHFFFAOYSA-N 356.596 4.363 0 40 FIAB CCN(C(=O)COc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 932626 ZYKFZDQAULFOGR-UHFFFAOYSA-N 356.422 4.381 0 40 FIAB O=C(COc1ccc2ccccc2c1)OCC(=O)c1ccc(Cl)cc1 1268108 XHNXPUHMJZIRBR-UHFFFAOYSA-N 354.789 4.298 0 40 FIAB COc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=NCCS2)cc1 1273803 TULPHJYMZOAVBT-UHFFFAOYSA-N 360.866 4.141 0 40 FIAB Cc1sc2nc(C3CC3)nc(SCC(=O)NC3CCCC3)c2c1C 1377414 CXOMOOQCLQZSSP-UHFFFAOYSA-N 361.536 4.336 0 40 FIAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 2485138 XZPCWOSWBJACLL-HNNXBMFYSA-N 352.228 4.367 0 40 FIAB CCOC(=O)[C@@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 2593700 YMXCZHRBTBUURO-IBGZPJMESA-N 350.370 4.007 0 40 FIAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cn1 2642779 WITQDWBAKDCSTL-LBPRGKRZSA-N 354.793 4.072 0 40 FIAB C[C@H](NC(=S)Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccccc1 2782284 XCKMQQBBTSNIMI-ZDUSSCGKSA-N 371.897 4.027 0 40 FIAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)Nc1ccccc1 3510662 TZQMDPCSBIYWSM-HNNXBMFYSA-N 374.440 4.298 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1 4033012 AMEHQLWCLKSAGR-UHFFFAOYSA-N 358.401 4.047 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(F)cc1 4305481 XBKKVVOZPSKROJ-IBGZPJMESA-N 366.461 4.421 0 40 FIAB CC[C@@H](C)N(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O 4935333 BTDGGWHVSLOURY-CQSZACIVSA-N 353.393 4.373 0 40 FIAB Cc1ccc(C(=O)COc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 6029612 MHKDDFRKWYQNLQ-UHFFFAOYSA-N 371.392 4.057 0 40 FIAB CCOc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(C)cc1)=N2 6090216 PGMITCFMICDEKX-UHFFFAOYSA-N 356.429 4.223 0 40 FIAB CN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)C1CCCCC1 6169274 BLSJHLGPGYBFOU-UHFFFAOYSA-N 367.445 4.427 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)c1 6214926 MVRMUKZBRABMHP-UHFFFAOYSA-N 360.841 4.405 0 40 FIAB O=C(c1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 6646747 NCBMHTNKLAHLGK-UHFFFAOYSA-N 353.809 4.195 0 40 FIAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1 6851527 YJBYHADHDSNEMW-AOMKIAJQSA-N 359.425 4.371 0 40 FIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cn2)cc1 6938402 ADYHRIWIOIICLU-GFCCVEGCSA-N 363.255 4.375 0 40 FIAB O=C([C@H](Sc1ncnc2sccc12)c1ccccc1)N1CCCC1 7112870 UVYZCFKHFYFKGJ-OAHLLOKOSA-N 355.488 4.147 0 40 FIAB CCOc1ccccc1NC(=O)CNc1ccc(Br)c(C)c1 7972476 LQLPUKZEEKWLKF-UHFFFAOYSA-N 363.255 4.207 0 40 FIAB Cc1c(C(=O)OCc2nc(-c3cccs3)no2)oc2c(F)cccc12 8428651 IXXVAZAVOGNLNF-UHFFFAOYSA-N 358.350 4.349 0 40 FIAB CCSc1ccccc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 8493433 RQZALLRDYHFZMV-DHZHZOJOSA-N 366.530 4.270 0 40 FIAB COc1cccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 8945345 HLGHIIIMCUUZGJ-UHFFFAOYSA-N 361.445 4.031 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1sc(NC(=O)C2CC2)cc1C 8982861 QUNGESRGIYWESC-UHFFFAOYSA-N 364.854 4.319 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 9062612 HJBPHGMBAHJKOO-UHFFFAOYSA-N 364.533 4.264 0 40 FIAB COc1ccc2c(CC(=O)N[C@@H](c3ccccc3)c3ccncc3)coc2c1 9156181 GQZALWYNAFRDTG-QHCPKHFHSA-N 372.424 4.285 0 40 FIAB Cc1ccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1F 9318715 PRYYFQLSRYPXDU-CYBMUJFWSA-N 371.799 4.358 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2ccccc2F)o1 9516309 HFSMECSMQTWRKL-QGZVFWFLSA-N 368.408 4.246 0 40 FIAB CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCC(C(=O)NC)CC2)C(C)C)cc1 9795207 TWYVHEPPFUUAPY-OXQOHEQNSA-N 373.541 4.065 0 40 FIAB CC1(C)CC(NC(=O)c2ccc(SC(F)(F)F)cc2)CC(C)(C)N1 11422863 YRMQVTQEHMCYPA-UHFFFAOYSA-N 360.445 4.338 0 40 FIAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c(C)o1 11835512 CBFDZTKACBUDCT-UHFFFAOYSA-N 363.826 4.331 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1 12111323 QAQYGZFQDQXUQQ-UHFFFAOYSA-N 357.797 4.431 0 40 FIAB CC(C)CN(CC(C)C)C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 12422054 WDXBFLWWNCFYBQ-SWXIYASGSA-N 351.575 4.194 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@H](C)C(C)C)c2n1 12546863 MQIFJNQVXHTSMP-NSHDSACASA-N 355.265 4.390 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H]3CCOc4ccccc43)cc12 12593883 FYTSGQLUKCIZNL-INIZCTEOSA-N 369.490 4.316 0 40 FIAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 12731751 KYNCNDCQFNBRJV-DNVCBOLYSA-N 354.475 4.154 0 40 FIAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCCCCC3)c2C)cc1 12914341 KJCOBBSUPZPQCL-OUKQBFOZSA-N 351.494 4.272 0 40 FIAB CSc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 12999758 QCABFISPDXCPHW-UHFFFAOYSA-N 363.866 4.404 0 40 FIAB Cc1ccc(C)c2nc3c(cc12)CN(CCOc1ccc(F)cc1)CCO3 13563780 UVMURSIKZONNFX-UHFFFAOYSA-N 366.436 4.264 0 40 FIAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccco3)n2)cc1 15671098 YGXXPNDCAJPLTR-UHFFFAOYSA-N 361.357 4.258 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)sc2c1 16045155 CSZDIWNVWFBTKR-UHFFFAOYSA-N 361.426 4.212 0 40 FIAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4cscn4)C3)cc2c1C 19582689 RKBAYBVGYXOBJQ-HNNXBMFYSA-N 367.474 4.028 0 40 FIAB COc1c(C)cccc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20143007 GTUXZFKWFDHIES-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB OC1=Nc2n[nH]cc2[C@@H](c2cccc(OCc3ccccc3)c2)SC1 20745961 WQCZZVKBFLWTGG-GOSISDBHSA-N 351.431 4.413 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)no2)cc1 21800529 GVJKNKSTNZJPHB-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB COc1ccc(-c2nn3c(NCC(C)C)cc(C)nc3c2C)cc1OC 23118907 ZHYGLBKRCLTAMA-UHFFFAOYSA-N 354.454 4.098 0 40 FIAB O=C(c1ccc(OC(F)F)cc1)N1CCC(c2nc3ccccc3o2)CC1 23533840 SHOQWPHVZUWIDB-UHFFFAOYSA-N 372.371 4.449 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 24962338 QKICBBKWPOANFK-IRXDYDNUSA-N 370.518 4.095 0 40 FIAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 29238803 JOXLQSSEIPWOON-KBNZMGLGSA-N 363.335 4.325 0 40 FIAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCc2ccccc21 30946778 SSWSQGVQTKSPIH-LJQANCHMSA-N 352.453 4.017 0 40 FIAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3C(C)(C)C)C(=O)N2C 32092963 LXDBDWSSMXCBRP-NRFANRHFSA-N 366.465 4.016 0 40 FIAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc2ccccc2c1 32119134 LEGYTLHXOXZPFF-UHFFFAOYSA-N 364.514 4.269 0 40 FIAB O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073336 QPKCIMHBXYCZOP-INIZCTEOSA-N 369.292 4.047 0 40 FIAB Cc1cc2cc(NC(=O)c3ccc4c(O)[nH]c(=S)nc4c3)ccc2[nH]1 40108737 ZEXJXWNUFQHRML-UHFFFAOYSA-N 350.403 4.040 0 40 FIAB C[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(Cl)cc1 40119402 SPPIBCMSGTXNQG-CQSZACIVSA-N 369.852 4.144 0 40 FIAB COCc1c(C(=O)N(C)Cc2ccc(O)cc2)sc2cccc(F)c12 41676958 GQGTUZYFGGFFRV-UHFFFAOYSA-N 359.422 4.165 0 40 FIAB C[C@@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2F)n(C)c1=S 52583879 WVKVKCHGMJSVDV-GFCCVEGCSA-N 374.510 4.395 0 40 FIAB CC(=O)N(C)Cc1ccccc1NC(=O)c1cc(Cl)ccc1OC(C)C 57341002 MMBWIFDEOJWGKX-UHFFFAOYSA-N 374.868 4.358 0 40 FIAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nn(C)cc2-c2ccncc2)c1 72390615 XKGHEWBSRKFOSU-OAQYLSRUSA-N 374.488 4.087 0 40 FIAB Cc1cc(C)n(CC2CCN(Cc3ccc(Br)cc3)CC2)n1 75154719 OEHMIPBYIXSGRO-UHFFFAOYSA-N 362.315 4.175 0 40 FIAB c1ccc(OCc2nc(CN3CC[C@@H](CN4CCCCC4)C3)cs2)cc1 75836479 LBCJPEVGUBULCZ-SFHVURJKSA-N 371.550 4.030 0 40 FIAB O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@H]1Cc1ccccc1 76561005 ZHRXAOQZSZADNN-IBGZPJMESA-N 359.429 4.116 0 40 FIAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)c1nc2cc(Cl)ccc2n1C 79017957 UIZMHPVASPKOEG-LBPRGKRZSA-N 368.820 4.307 0 40 FIAB CSc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80345034 JRCYBLMRZDUDED-ZJUUUORDSA-N 360.291 4.309 0 40 FIAB Cc1ccc(N2CCCC2)c(C(=O)N(C)Cc2nc3c(s2)CCCC3)c1 83012378 BZJNHIOQGHRKAP-UHFFFAOYSA-N 369.534 4.203 0 40 FIAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C2CCCC2)CC1 84556933 MZUFVHCEQRAVDC-UHFFFAOYSA-N 350.462 4.179 0 40 FIAB CCc1noc(CC)c1CNC(=O)N1CCC(c2ccccc2C)CC1 87168502 ZLTOPFDHBUTMHU-UHFFFAOYSA-N 355.482 4.197 0 40 FIAB Cn1nc(C(C)(C)C)cc1C(=O)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166608 KKRZGKSQMOFKIR-QZTJIDSGSA-N 369.484 4.408 0 40 FIAB Cn1nccc1/C=C1\C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)[C@H]1O 107912868 IHDFXAYYAHEPNS-OLVJTCIVSA-N 364.489 4.036 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2nc(C)cc2C)cc1 148110835 IEQJTWWRCPVQOJ-UHFFFAOYSA-N 369.852 4.463 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1C 223890528 UJTTUNYBDWBUKS-UHFFFAOYSA-N 369.446 4.173 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1cc(C)cc(C)c1 224538630 FIRTUTDKBABHKZ-KRWDZBQOSA-N 371.477 4.046 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c(C)c1 225168342 HRWLGRFTIAHIOW-GOSISDBHSA-N 367.489 4.145 0 40 FIAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC1CCCCC1 225351443 JJRFRKHIMCLRCB-FQEVSTJZSA-N 374.525 4.051 0 40 FIAB COc1ccccc1NC(=O)NCCSCc1ccc(Cl)cc1 225765683 JKKKYONUDIFEGL-UHFFFAOYSA-N 350.871 4.404 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225799665 CXMBQKPAGHBKKW-VLIAUNLRSA-N 365.470 4.184 0 40 FIAB O=C(NCc1ccnc(-c2ccco2)c1)c1ccc(OC(F)(F)F)cc1 238812852 ASOIRNAPXKDMJS-UHFFFAOYSA-N 362.307 4.170 0 40 FIAB Cc1cc(-c2nc(C)cs2)nc([C@H]2CCCCN2C(=O)C(C)(C)C)n1 257243357 IGOVNUCRUNIUIP-OAHLLOKOSA-N 358.511 4.317 0 40 FIAB CC(C)n1nccc1-c1ncccc1CC1CCN(C(=O)C(C)(C)C)CC1 257324079 WNBGIMLAJHXGOV-UHFFFAOYSA-N 368.525 4.353 0 40 FIAB Fc1ccccc1Cc1cnc([C@H]2CCCN(Cc3cscn3)C2)o1 257327166 XAGTZMQYYYUNKF-HNNXBMFYSA-N 357.454 4.241 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 408702124 CSCGJKOXWFEUGT-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(C)cc3)n2C)cc1 409204853 KMZQINHKIQUQDK-MRCUWXFGSA-N 352.459 4.120 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)cc1Br 523955152 YBZDTDBHMAIXDC-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB C[C@@H](NCc1cccc(-c2ccccn2)c1)c1ccc2c(c1)CCC(=O)N2 582007744 IPUULJJKZVLYHJ-MRXNPFEDSA-N 357.457 4.484 0 40 FIAB OC1(COc2cccc(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 585271341 WVJHXOJEVHRIEV-UHFFFAOYSA-N 370.880 4.227 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)C[C@H](C)c2c(C)noc2C)cc1 677148772 CUWZHRWLCKWZHK-HLLQZAQXSA-N 356.466 4.130 0 40 FIAB O=C(c1cnc2c(F)cccc2c1)N1CCC[C@](F)(c2ccccc2)C1 1132703976 YXHFXVYAGSOUJI-OAQYLSRUSA-N 352.384 4.475 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@@H]1C(=O)Nc2c(Cl)cccc21 101625272 PLGGGEQUJJQQOH-CQSZACIVSA-N 370.792 4.107 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)OCCOc2cc3c(cc2Cl)OCO3)C1(C)C 1664940 YRGBXDMEYIOTGS-PXAZEXFGSA-N 366.841 4.229 0 40 FIAB CSc1nnc(Sc2nc(C)nc3sc4c(c23)CCC4)s1 8200048 QWTITAHOBZLRMY-UHFFFAOYSA-N 352.535 4.213 0 40 FIAB O=C(Nc1ccnn1Cc1ccccc1)C1(c2cccc(Cl)c2)CC1 32764481 VHUDYKPCUQCQMM-UHFFFAOYSA-N 351.837 4.255 0 40 FIAB Cc1ccc(C)c(OC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1C 3281530 QAQBLVWNJQJZPL-UHFFFAOYSA-N 352.386 4.011 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1 3611556 WEDHVQQRBOSCTH-NSHDSACASA-N 352.203 4.303 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 4026969 OJRADRUMJUVRPG-MHTWAQMVSA-N 356.462 4.211 0 40 FIAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(Cc2ccccc2)CC1 21555457 FZKVMSYZXZDEOQ-UHFFFAOYSA-N 371.484 4.070 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 4898424 BNAYDJOPXGOTBT-KRWDZBQOSA-N 366.461 4.028 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)C(C)(C)C)cc2)cc1 6478793 WEYANWSKCGQJIP-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574162 NOKGRZVNQGSFRX-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC 7609576 LJJDMPFDQDKZRH-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB COc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 8903612 MVCNTLMYNYSRDR-UHFFFAOYSA-N 370.430 4.122 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)no2)cc1 21800504 RWTMLTXIYGGOCI-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2ccccc2n1 9112446 GTGKCCZSPCTVEI-QGZVFWFLSA-N 373.456 4.034 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(=O)ccc2c1 812112 ZZKCGNWJJYAJPF-UHFFFAOYSA-N 364.184 4.117 0 40 FIAB COc1cc(C(=O)OC2CCCCC2)ccc1OCc1c(C)noc1C 24769444 BTJWWFNLFYILRD-UHFFFAOYSA-N 359.422 4.369 0 40 FIAB Cn1nc(C(F)(F)F)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cl 3128537 HMCOXLKCZUGHOC-UHFFFAOYSA-N 371.668 4.363 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(-c2nnco2)c1 24737969 YBRIXCRGBHDZRZ-UHFFFAOYSA-N 368.443 4.482 0 40 FIAB Oc1nc(SCc2ccc(Cl)cc2)nnc1-c1ccc(F)c(F)c1 24747900 NNDGCCSINNJAJP-UHFFFAOYSA-N 365.792 4.468 0 40 FIAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 1396417 JDWPFLJRNWYGDW-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB COc1cccc(OC)c1C(=O)OCc1c(C)cc(C)c(C(C)=O)c1C 24964507 NFOCFYPPNPCANW-UHFFFAOYSA-N 356.418 4.189 0 40 FIAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 12554741 SPJOMISQSKUXPE-SNVBAGLBSA-N 366.248 4.391 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c(Cl)c1 12597529 SGMBIXCLVYNWDM-LJQANCHMSA-N 372.877 4.111 0 40 FIAB CN(C(=O)Nc1ccccc1)[C@H](c1ccc(Cl)cc1)c1nccn1C 12540669 VIDBLEODDPTSRQ-QGZVFWFLSA-N 354.841 4.327 0 40 FIAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccnc1Cl 57364147 UWOSLZZSFSVKFD-UHFFFAOYSA-N 351.837 4.053 0 40 FIAB O=S(=O)(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 26544077 IESPJNZMXZXQPR-UHFFFAOYSA-N 357.406 4.206 0 40 FIAB CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 20833460 VRAWCHIJDVYFTN-UHFFFAOYSA-N 353.443 4.091 0 40 FIAB CCc1ccc(/N=C2\S/C(=C\c3ccc(C(=O)O)cc3)C(=O)N2C)cc1 2140109 MJOBUCCHOSZYLY-RRZDCZAYSA-N 366.442 4.181 0 40 FIAB Cc1sc2ncnc(N3CCC(C(=O)c4ccccc4)CC3)c2c1C 10911754 PMNHLFLELQWCDB-UHFFFAOYSA-N 351.475 4.407 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N2c3ccccc3C[C@@H]2C)c1 36697916 HDNRMVUNAISMCQ-AWEZNQCLSA-N 362.429 4.462 0 40 FIAB CCCn1c(SCC(=O)N[C@H](C)CC)nnc1-c1ccc(Cl)cc1 11421818 VKHANESMHLOOOK-GFCCVEGCSA-N 366.918 4.015 0 40 FIAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 12787968 ANXUWCVMGGQERY-CYBMUJFWSA-N 371.868 4.249 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)c(OC)c1OC 12857988 DOMVMCZGPWCJEW-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB C[C@@H]1c2cccn2CCN1CC(=O)N(Cc1ccccc1)c1ccccc1 12801458 CMAQDSPRHPMGFX-LJQANCHMSA-N 359.473 4.098 0 40 FIAB C[C@H]1CCc2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2C1 3552413 MLRZFBNNVBAGMB-LBPRGKRZSA-N 354.431 4.280 0 40 FIAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1 12976998 YKDUPODAYPREHF-NRFANRHFSA-N 366.461 4.473 0 40 FIAB O=C(NCCc1cccs1)c1ccc(NC(=O)c2cccs2)cc1 13019769 GWTCAWHWFDVZLE-UHFFFAOYSA-N 356.472 4.034 0 40 FIAB Fc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1Cl 13682165 BRJAOBLZPKGCRG-UHFFFAOYSA-N 358.829 4.431 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccoc1)c1ccccc1 14020186 KUDZYETULBZSRG-LJQANCHMSA-N 365.385 4.133 0 40 FIAB CNC(=O)c1ccc(CN(C)C(=O)c2sccc2-c2ccccc2)cc1 14094066 MDNKDLVLWLPKOB-UHFFFAOYSA-N 364.470 4.047 0 40 FIAB CCCCc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 14199624 LYOXTJFFLKSANY-UHFFFAOYSA-N 350.462 4.337 0 40 FIAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nc(C)c1C 14108943 TWVMQQASDDWOIK-LBPRGKRZSA-N 367.421 4.123 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c(C)c1 20144046 WDYCMJDCYFSVNT-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(cc12)N1CCC3CC1 4709318 DQLBIGNPDNNGFM-UHFFFAOYSA-N 369.877 4.460 0 40 FIAB CN(C)[C@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccccc1 4886655 HOJYIPSJFARYNJ-OAQYLSRUSA-N 364.514 4.351 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Nc2ccccc2Br)n1 6810445 BHCSFZRGJZKJBZ-UHFFFAOYSA-N 372.675 4.257 0 40 FIAB CCCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1C 6888302 XRPYDJOSKCKBLD-UHFFFAOYSA-N 354.479 4.275 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8883463 GGDWRLMJKWXLMD-QGZVFWFLSA-N 374.387 4.495 0 40 FIAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1c1ccccn1 26841140 OHGNGEWKUQBPLJ-NRFANRHFSA-N 352.397 4.222 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1Cl 22255056 IZVPDMFTFAUIQX-UHFFFAOYSA-N 368.867 4.068 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC)c3ncccc23)cc1 15840701 DRENBXQRQRUVSE-AWEZNQCLSA-N 350.418 4.212 0 40 FIAB CCc1cc2c(SCC(=O)NCCC3=CCCCC3)ncnc2s1 7985376 PUDZWDZRLLIVSW-UHFFFAOYSA-N 361.536 4.353 0 40 FIAB COc1ccc(-c2c/c(=N\[C@@H](C(=O)O)C(C)C)c3cc(C)ccc3o2)cc1 19792890 BQLGNVPBNNGMTD-MFTRDONSSA-N 365.429 4.427 0 40 FIAB C[C@H]1CCc2sc3ncn4c(-c5cc(Cl)ccc5O)nnc4c3c2C1 9576943 ANZPYGJBWREVLK-VIFPVBQESA-N 370.865 4.490 0 40 FIAB COc1cccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)c1OC 21474185 RDENADBDSKYQCZ-UHFFFAOYSA-N 355.415 4.266 0 40 FIAB C[C@H](NC(=O)CCCOc1ccccc1Cl)c1nc(C(C)(C)C)no1 72303564 YAHNTMASLHZHRG-LBPRGKRZSA-N 365.861 4.057 0 40 FIAB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C1/CCc2c(O)cccc21 84494334 XVUKBUNDAKLFFG-NDENLUEZSA-N 351.284 4.082 0 40 FIAB Cc1ccc(Cc2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)[nH]2)cn1 77491300 SYKGHKAWDLMRAK-UHFFFAOYSA-N 365.433 4.393 0 40 FIAB CC(=O)N[C@@H](CC(=O)N(C)C1CCCCCCC1)c1ccc(Cl)cc1 95393346 UULXWPFDGOWYPG-IBGZPJMESA-N 364.917 4.479 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCCSc2ccc(C)cc2)cc1 22534346 MMUMECVEJDJSLV-HNNXBMFYSA-N 361.532 4.393 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)o1 21840530 YXBFGRPVGXNGDO-OCJFRMIVSA-N 350.418 4.182 0 40 FIAB CCOc1cc(CO)cc(Br)c1OCc1ccc(F)cc1 36825169 SFPMAKDWAVYZLH-UHFFFAOYSA-N 355.203 4.058 0 40 FIAB COc1ccc(-n2ncc(-c3cc(C(=O)O)c4cc(C)ccc4n3)c2C)cc1 32918652 OBOFFEOVASCOPF-UHFFFAOYSA-N 373.412 4.411 0 40 FIAB Cc1noc(C)c1COc1ccc([C@@H]2SCC(O)=Nc3[nH]ncc32)cc1 79493687 CJIHUERRAOREBY-KRWDZBQOSA-N 370.434 4.018 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224821972 RPIAGXGKWXVPSK-ZWKOTPCHSA-N 367.489 4.225 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C)cc1C 224452825 ZVNPZLOSNSYEOO-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)s1 222831803 RKXAVSCTYMIEFR-ZDUSSCGKSA-N 351.497 4.145 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cccc(OC)c3)c2)cs1 226097032 CXSQYNISSGPBRY-UHFFFAOYSA-N 369.446 4.121 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222868253 ZJRVZZOWPCXFAQ-OALUTQOASA-N 354.523 4.381 0 40 FIAB C[C@H](O)c1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)s1 225687641 WAYOOYJUUCUVHI-INIZCTEOSA-N 365.498 4.292 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCCCC1 225710577 MZMUWVSDVYIWQX-UHFFFAOYSA-N 355.862 4.043 0 40 FIAB COC(=O)c1cn(C(=O)CSCc2ccccc2F)c2ccccc12 222641606 ZXHBWLCPYGIZEY-UHFFFAOYSA-N 357.406 4.141 0 40 FIAB COCCCNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225190436 PAMSXJIECIMPKU-UHFFFAOYSA-N 367.927 4.209 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)cc2F)cc1C 225790321 ZMRZIGOCKZAEDM-CYBMUJFWSA-N 350.434 4.336 0 40 FIAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 223843043 URCKKGCGKCZJKT-DLBZAZTESA-N 353.472 4.026 0 40 FIAB CC(C)CNC(=O)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 96154765 VRXCZUKUINIMJM-UHFFFAOYSA-N 358.445 4.178 0 40 FIAB COc1ccc(CN2CCC[C@@]23CCCN(Cc2ccccc2)C3)cc1F 96214667 NOQLDHLYGVSDET-HSZRJFAPSA-N 368.496 4.465 0 40 FIAB CC1(N2CCCC2)CCC(NC(=O)c2ncoc2-c2ccc(F)cc2)CC1 1598077971 BMVSUSDSRUNDRB-UHFFFAOYSA-N 371.456 4.008 0 40 FIAB Cc1cc(C(=O)N2CCC(Nc3ccccn3)CC2)c2ccc(C)c(C)c2n1 77386338 UQQPBFIMWRUFQZ-UHFFFAOYSA-N 374.488 4.272 0 40 FIAB CC[C@](CNC(=O)c1ccccc1Br)(OC)c1ccccc1 96123725 AQHGBDVTWPSKLC-GOSISDBHSA-N 362.267 4.131 0 40 FIAB CCN(CC)c1nc2sc(C(=O)N3CCOc4ccccc43)cc2s1 59423582 VWIZMHJREPDUNP-UHFFFAOYSA-N 373.503 4.243 0 40 FIAB O=C(O)c1cc(Br)c(OCc2cccc(Cl)c2)cc1O 226346616 WQRHAXQZWKPSHA-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 5433825 TZDSVQAWXDINOL-LSDHHAIUSA-N 368.527 4.258 0 40 FIAB biogenic,in-vitro Cc1c(C(=O)N[C@H](c2ccccc2)c2ccnn2C)oc2c(C)cccc12 12194107 SRGTVCWJADATLA-LJQANCHMSA-N 359.429 4.303 0 40 FIAB Cc1ccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1Cl 12736972 GACCUSBCVGEYRH-UHFFFAOYSA-N 373.884 4.085 0 40 FIAB COc1ccc(NC(=O)c2ccccc2OC(F)F)cc1OC(F)F 12925245 LGOOWPHJFWMZOT-UHFFFAOYSA-N 359.275 4.150 0 40 FIAB Fc1cccc(CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1F 13989783 SSUOXLMJBWRMSY-UHFFFAOYSA-N 368.383 4.291 0 40 FIAB O=C(Cn1c(SC(F)F)nc2ccccc21)NC1CCCCCC1 14797475 INBANGVRKNCEGE-UHFFFAOYSA-N 353.438 4.190 0 40 FIAB CCOc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCC(C)CC2)c1 15860317 NNRAIZCYVHVKIG-HXUWFJFHSA-N 370.493 4.190 0 40 FIAB Cc1nc2ccccc2nc1COc1ccc(Br)cc1C=O 16265342 NLSKMAHUOSGFLW-UHFFFAOYSA-N 357.207 4.092 0 40 FIAB CC[C@@H](CN1CCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C 19654434 XCEAOZXQKYZNRE-FQEVSTJZSA-N 363.509 4.150 0 40 FIAB O=C(/C=C/c1ccco1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6909288 OTGQQXJNOZHSDF-SJFMBGHLSA-N 357.413 4.269 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1nc2ccccc2s1 7688860 CMFNZMQTKMVOBY-UHFFFAOYSA-N 359.882 4.329 0 40 FIAB Cc1ccc([C@@](O)(CCNc2nnc(C)c3ccccc23)C(F)(F)F)o1 25450781 ZYTCDBDNABQFNW-KRWDZBQOSA-N 365.355 4.092 0 40 FIAB COC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CCCC2 1102535 PSTGGSNDLRLHCY-UHFFFAOYSA-N 373.474 4.048 0 40 FIAB C[C@@H](Sc1ncnc2c1nnn2-c1ccc(F)cc1)c1ccccc1 4166705 ZOKXQRPMWBIMKI-GFCCVEGCSA-N 351.410 4.203 0 40 FIAB CCCn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 4385045 NEXMWCAHKZEWHL-MRXNPFEDSA-N 363.461 4.366 0 40 FIAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccs2)cc1 4854586 MHMRRHDJJHQIHD-GOSISDBHSA-N 353.447 4.195 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cccs1 13694941 OKBGROULAKBMKP-UHFFFAOYSA-N 354.456 4.265 0 40 FIAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCS[C@@H](c2ccco2)CC1 207005714 JFPALURPJKPHOW-LJQANCHMSA-N 367.474 4.001 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCS[C@@H](c2cccs2)CC1 219462766 CAJOLDUXSXHVBF-MRXNPFEDSA-N 360.460 4.317 0 40 FIAB C[C@@H]1CCN(C(=O)CCc2nc(Cc3ccccc3)no2)[C@@H]2CCCC[C@H]12 40133830 WBJHZFJKQCMIGH-BHIYHBOVSA-N 367.493 4.020 0 40 FIAB O=C1C[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2N1 40117528 TUZQJNZPCCLCCC-NQIIRXRSSA-N 366.436 4.299 0 40 FIAB C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(F)c(F)c1 32483629 HDOJMQDJLAPTMJ-ZDUSSCGKSA-N 371.387 4.215 0 40 FIAB CC(C)=C[C@H]1[C@@H](C(=O)Oc2cc3c(cc2Br)OCO3)C1(C)C 1595739 UWGUZNCQFYSEFK-BONVTDFDSA-N 367.239 4.322 0 40 FIAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 6970783 UVRXPQJVUIPJBL-UHFFFAOYSA-N 356.325 4.123 0 40 FIAB O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@H]2CCCC[C@@H]21 46494293 KCYZZPZTISEPKQ-IRXDYDNUSA-N 363.548 4.339 0 40 FIAB CC(=O)Nc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1F 58355608 YYLABLRHWGMTKM-MSZXUFMWSA-N 358.457 4.119 0 40 FIAB COc1ccccc1-c1nnc(S[C@H](C)c2ccccc2Cl)n1N 8157343 IKPSLIISIHRJSG-LLVKDONJSA-N 360.870 4.174 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 8499068 YCWVOHZLCHQJNG-HNNXBMFYSA-N 365.788 4.062 0 40 FIAB Cc1ccc(C(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cn1 33196948 WEKBDOXSPSLPMT-GHMZBOCLSA-N 354.294 4.029 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1C 10684215 PJIILXILAZDDML-QFBILLFUSA-N 368.477 4.319 0 40 FIAB CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)c1ccccc1 22619168 NIJJTCJVWBEVMY-YADHBBJMSA-N 366.505 4.142 0 40 FIAB CN1CCN([C@H]2Cc3cc(Cl)ccc3Sc3c(F)cccc32)CC1 22865480 IKXXECKUUBDKNV-KRWDZBQOSA-N 362.901 4.475 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 12532232 GEYDLUQNJSXMBP-HOTGVXAUSA-N 365.502 4.450 0 40 FIAB C[C@@H](NC(=O)c1ccc(OCc2cccnc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 105717788 YRZNUHQVFWQOSY-KPYYAMLLSA-N 350.462 4.215 0 40 FIAB COc1cccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)c1 12599367 JHWWBJKKEAHJRX-UHFFFAOYSA-N 368.458 4.220 0 40 FIAB CCN(CCCNCc1c[nH]nc1-c1ccc(OC)cc1)c1ccccc1 12506996 SCMNHLINNMTRHC-UHFFFAOYSA-N 364.493 4.092 0 40 FIAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCc2sccc2[C@H]1C 26297069 BLWDDIAPOHLMAM-LLVKDONJSA-N 358.488 4.461 0 40 FIAB O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 108345950 DSANJXOGBUVNDF-HEHGZKQESA-N 369.852 4.362 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc3c(c2)oc(=O)n3C)cs1 58158497 WTJPNGNPHXWGNP-UHFFFAOYSA-N 353.403 4.007 0 40 FIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2cc[nH]c2c1 44836902 VHMFKLOOFFECKJ-UHFFFAOYSA-N 353.765 4.228 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)C2CC2)s1 10275022 ZQWJMJYLUVGTBT-UHFFFAOYSA-N 368.380 4.045 0 40 FIAB O=S(=O)(c1csc(-c2ccc(F)cc2)n1)N1CC[C@@H]1c1ccccc1 58412856 SWOPVDBBRJUDOC-MRXNPFEDSA-N 374.462 4.085 0 40 FIAB COc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1OC 2396222 XLQSEYFPFFHBJH-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB CCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2399661 FFDSCCZZYZGNKX-UHFFFAOYSA-N 374.444 4.340 0 40 FIAB COc1cc(OC)c(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC 12750810 HDMLXFYYXPCRQP-CYBMUJFWSA-N 373.474 4.244 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(F)cc2Cl)cc1 11173068 KDJFUELLDMHEGH-LBPRGKRZSA-N 351.805 4.134 0 40 FIAB CC1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C(C)C)CC1 2460108 WAVWKLCYUNABHJ-QWQCLYJRSA-N 368.880 4.385 0 40 FIAB Brc1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 2427921 JESRTBMLTJVQGT-CHWSQXEVSA-N 361.268 4.248 0 40 FIAB O=S1(=O)c2ccccc2N[C@@H](c2cccs2)N1Cc1ccccc1 409120728 SINIUOAVNDMCGD-GOSISDBHSA-N 356.472 4.063 0 40 FIAB C[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)C(=O)c1ccccc1 11493529 DHAFGFQNQNCSAJ-GFCCVEGCSA-N 354.793 4.158 0 40 FIAB Cc1cccc(N2CCN(C(=O)Cc3coc4cc(C)ccc34)C[C@H]2C)c1 3413536 FNJHBBSRKSNDAT-GOSISDBHSA-N 362.473 4.329 0 40 FIAB CC(C)Cn1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc21 3498599 MDMADOXXUKIMHQ-UHFFFAOYSA-N 370.503 4.054 0 40 FIAB CN(Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S 13073658 JCGKFEKYUXLVQJ-UHFFFAOYSA-N 358.898 4.361 0 40 FIAB CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1 8657898 YPKOXFCWPQFTJD-UHFFFAOYSA-N 374.492 4.393 0 40 FIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cccn2)cc1 8324326 OKZFDYFAGNPTJE-IBGZPJMESA-N 351.837 4.407 0 40 FIAB COc1ccc(-c2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1OC 8337614 LGIJAJBZNKYHNO-UHFFFAOYSA-N 373.405 4.261 0 40 FIAB CC1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408640304 IRQJMPQCOHHGOX-CPCZMJQVSA-N 369.292 4.041 0 40 FIAB Cc1ccc(N(Sc2ccc(Cl)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 4134892 UDJYQELDQXHZCN-MRXNPFEDSA-N 365.907 4.473 0 40 FIAB COC1(OC)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@@]4(O)[C@@H]3CC[C@@]2(C)C1 118914935 XHSWJTDGBUQZOI-SKAKZVCGSA-N 364.526 4.092 0 40 FIAB Clc1cc(CSc2nnc(-c3ccccc3)o2)cc2c1OCCO2 8427887 CAPHYGQZDPJCHR-UHFFFAOYSA-N 360.822 4.454 0 40 FIAB Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)oc2c1C(=O)CCC2 5245489 YBISFBLOHPGLAG-UHFFFAOYSA-N 351.446 4.202 0 40 FIAB CC(C)c1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1 13943525 MDCJLVPHCVSGLD-UHFFFAOYSA-N 363.446 4.229 0 40 FIAB COc1ccc2[nH]cc(C3CCN(C[C@@H](O)c4ccc(F)cc4)CC3)c2c1 65518577 XCBIDBUCUGYESX-JOCHJYFZSA-N 368.452 4.229 0 40 FIAB O[C@H](COc1ccc2ccccc2c1)CN1CCC[C@@H]1c1cccs1 14238428 RDKZWLSCMXBVOZ-AZUAARDMSA-N 353.487 4.478 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1Cl 20457170 CJONICNHZINPLZ-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB N[C@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(F)cc2)o1 8520143 DANFZHBRCVUKKV-MRXNPFEDSA-N 368.437 4.225 0 40 FIAB O=c1c2cc(Cl)ccc2ncn1Cc1cc2ccccc2nc1Cl 6649035 XYOAIAWJRHLUOA-UHFFFAOYSA-N 356.212 4.300 0 40 FIAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc2ccccc2c1 6635719 VFALNKWAHMQNST-LBPRGKRZSA-N 354.793 4.072 0 40 FIAB O=C(CSc1ccc2ccccc2n1)NCCc1ccc(Cl)cc1 5626795 LHFZBQULJBRIGX-UHFFFAOYSA-N 356.878 4.339 0 40 FIAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)Nc1ccc2ccccc2c1 6759083 DXFRVRGPZSGXHQ-UHFFFAOYSA-N 366.804 4.430 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc3cc(OC)ccc3n2)c1 25068384 CZCNDLBYFRTNQN-NRFANRHFSA-N 362.429 4.229 0 40 FIAB CC(C)OC(=O)c1ccc2[nH]/c(=N/C(=O)c3ccccc3Cl)sc2c1 8903587 XWOGARYTXACMCJ-UHFFFAOYSA-N 374.849 4.189 0 40 FIAB Cc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 16089878 OHEQRNLKRAILCT-UHFFFAOYSA-N 350.745 4.435 0 40 FIAB COc1ccc(CC(=O)N2CCCc3cc(Cl)cc(C)c32)cc1OC 72287324 ZMTXZSWWQZIAEO-UHFFFAOYSA-N 359.853 4.188 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 28224910 DHRYWCHRCMXKEW-UHFFFAOYSA-N 350.205 4.392 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)C3(c4ccccc4)CCC3)nc2C1 95350877 HYOLLDPWRQAUFV-UHFFFAOYSA-N 354.475 4.359 0 40 FIAB CCn1c(CN2CCC[C@H]2C[C@H](O)c2cccs2)nc2c(F)cccc21 75105967 BCWXGWWMTGUQRC-YOEHRIQHSA-N 373.497 4.345 0 40 FIAB CCc1c(C)n(Cc2ccccc2Cl)c2nc3ccccc3n2c1=O 20798291 TUNNZRNJFAIEOE-UHFFFAOYSA-N 351.837 4.222 0 40 FIAB COc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 408628204 QUCLXOWTTSJOPD-IZZDOVSWSA-N 370.474 4.051 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1cccc(F)c1 36246555 ZPAZZCXXWIRSRF-UHFFFAOYSA-N 359.397 4.360 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 36171626 IWTGNQDZEZFGEZ-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB O=C(OCc1cc(-c2cccs2)on1)c1ncc(-c2ccccc2)o1 38767063 LXKKFVMLFDLCNF-UHFFFAOYSA-N 352.371 4.415 0 40 FIAB O=C(Nc1ccccc1F)C1CCN(Cc2c(F)cccc2Cl)CC1 39749091 BODHWRVBVXJKJS-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB COc1ccccc1CN(Cc1ccccn1)C1CC(C)(C)NC(C)(C)C1 36740483 ITIOUPZYWGTEAL-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)c(C)c1 219590944 RZFKTFMYCRLUFA-LJQANCHMSA-N 355.434 4.276 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1sccc1C 520440291 PCUJTDXBXUOYGW-ZDUSSCGKSA-N 366.914 4.486 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(C)c1 224901095 QUPJSTPCCJSFFL-UHFFFAOYSA-N 354.450 4.176 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2)c1 224640473 NVOPNYRFSBMHKV-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB Cc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225582430 VMGIRAMOLLCOTM-UHFFFAOYSA-N 374.887 4.316 0 40 FIAB O=C(NCc1ccnc(-c2ccco2)c1)c1cc(Br)cs1 225657538 WLSWZFSUVRWLOW-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223783699 GCIFXUIJRDZKFF-OALUTQOASA-N 365.458 4.250 0 40 FIAB O=C(O)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544534 HFHPLWWKHZQVMV-UHFFFAOYSA-N 371.408 4.130 0 40 FIAB COc1cc(N)cc(Br)c1NC(=O)c1cc2ccccc2o1 227147460 ZUYFTVSEKYDRQB-UHFFFAOYSA-N 361.195 4.038 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COC(C)C 224718424 BMGMVZHBUAPMFJ-UHFFFAOYSA-N 371.433 4.049 0 40 FIAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223334168 JUSCSUAUONTGMM-QHCPKHFHSA-N 372.468 4.093 0 40 FIAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1ccccc1 223369622 JIGGEYPVXWPKSD-QZTJIDSGSA-N 351.500 4.316 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)/C=C/c3ccc(Cl)cc3)ccc21 225075368 DAFIFHVZXGVIGO-BJMVGYQFSA-N 358.850 4.388 0 40 FIAB Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@H](C)n3cnc4ccccc43)nc2c1 194531887 SVTVVPNWNWTTOD-YWZLYKJASA-N 373.460 4.146 0 40 FIAB Cc1nc2c(C(=O)N3CC4(CCOCC4)[C@@H]3c3ccccc3)cccc2o1 334003849 SSIFXBQUQWQRDR-FQEVSTJZSA-N 362.429 4.130 0 40 FIAB O=C(N1CCC(Oc2cccnc2)CC1)C1(c2cccs2)CCCC1 85557970 SUUZCIPFUAKPFW-UHFFFAOYSA-N 356.491 4.025 0 40 FIAB CC1(C)CC[C@@H](Sc2nc(CN3CCOCC3)nc3ccccc23)C1 1188547157 MWVPIVNDSZCDPW-OAHLLOKOSA-N 357.523 4.133 0 40 FIAB O=C1O[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)Cc2ccccc21 5256026 UPTSSBNLKWOSRY-FQEVSTJZSA-N 359.381 4.199 0 40 FIAB Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccccc2Cl)no1 12769497 WRUSAZXMNDHXJO-GFCCVEGCSA-N 371.824 4.101 0 40 FIAB O=c1[nH]c(CSCc2ccccc2Br)nc2ccccc12 16450117 NVDRENSGJVAYKP-UHFFFAOYSA-N 361.264 4.119 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 165224413 FDNAUJXMSBLUQE-UHFFFAOYSA-N 366.442 4.222 0 40 FIAB C[C@H](NC(=O)COc1ccccc1Cl)c1ccc(Br)cc1 6151708 CKUSDWIMYKZOSX-NSHDSACASA-N 368.658 4.359 0 40 FIAB C[C@H](c1ccc(F)cc1)n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 5690835 XLGXVHZOGUVYEZ-GFCCVEGCSA-N 365.437 4.372 0 40 FIAB CCCC(=O)N1CCC(c2nc3ccc(F)cn3c2NC2CCCC2)CC1 12127921 RNRXTQOYHIAVPD-UHFFFAOYSA-N 372.488 4.334 0 40 FIAB Cc1onc(-c2ccncc2)c1C(=O)N1CCn2c(C)ccc2[C@H]1C(C)C 12325597 JSBWKPGCBLJJRC-HXUWFJFHSA-N 364.449 4.008 0 40 FIAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccccc1F 2468286 QEHFGQUQYNOTAN-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB O=C(/C=C/c1cccs1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 4275384 RNYBKXCNJWBXQR-GQCTYLIASA-N 370.455 4.295 0 40 FIAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1C 10404020 QOHZJILDTLFULA-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(NCc1cccs1)NC[C@H](c1ccsc1)N1CCCCCC1 22679616 OMTKGQXDEBXTJR-QGZVFWFLSA-N 363.552 4.226 0 40 FIAB CN(C)[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Cl 23080374 GEDFDGANAQFBLM-MRXNPFEDSA-N 370.802 4.392 0 40 FIAB COCCN(Cc1ccsc1)C(=O)Cc1ccc(SC(C)C)cc1 42382207 CMRKALCSOJMBTB-UHFFFAOYSA-N 363.548 4.466 0 40 FIAB COc1cccc([C@H](NCc2ccc(SC)cc2)c2nccn2C)c1 30647471 UJFGLPHMYRXJHT-IBGZPJMESA-N 353.491 4.030 0 40 FIAB NC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1Cl 40060378 KWMVCSMUDBURSZ-UHFFFAOYSA-N 358.756 4.090 0 40 FIAB Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc2nc1C 40013458 FUPBMLJUHBAXGH-HXUWFJFHSA-N 371.444 4.100 0 40 FIAB O=C(CCSc1nc2ccccc2s1)Nc1ccc2c(c1)CCO2 30371849 LBWABMSUGQOMOZ-UHFFFAOYSA-N 356.472 4.352 0 40 FIAB COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2)c(OC)c1 101030734 GRXLRFZEQMYCFX-KRWDZBQOSA-N 368.824 4.005 0 40 FIAB CC(=O)NCc1ccc(C(=O)NCc2cccc(Oc3ccccc3)c2)cc1 32362308 GNUOURMRKKTXIM-UHFFFAOYSA-N 374.440 4.045 0 40 FIAB CC(C)CN1CCC(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 46049595 SEXWRVOTXGXOQV-CQSZACIVSA-N 354.947 4.057 0 40 FIAB COc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7886095 PSVQPIRPZMVSCX-KRWDZBQOSA-N 373.250 4.187 0 40 FIAB CC[C@H](C)NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 826995 HPPLUHPOSXKIPS-VIFPVBQESA-N 368.384 4.005 0 40 FIAB O=C(Nc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 843792 GTMABHPTWXGWMO-INIZCTEOSA-N 364.832 4.485 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1C 32753761 MAOKHERQIRRHOR-UHFFFAOYSA-N 371.487 4.320 0 40 FIAB CN(Cc1ccsc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 21558246 WBBVRCJXTSQAPZ-UHFFFAOYSA-N 356.472 4.334 0 40 FIAB O=C(NOCc1ccccc1)Nc1ccc(Br)c(Cl)c1 4290490 BBWZHRFXIANFAW-UHFFFAOYSA-N 355.619 4.356 0 40 FIAB CCN(CC)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 6415699 IAHKBLABHQBSLU-UHFFFAOYSA-N 372.412 4.352 0 40 FIAB CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 6654822 RQBJVGCXBZGJMV-DHDCSXOGSA-N 358.375 4.219 0 40 FIAB Fc1ccc(N/C=C/c2nnnn2-c2ccc(Cl)cc2)cc1Cl 100410843 NUQNEGUIYCMEBX-BQYQJAHWSA-N 350.184 4.191 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)ccc1Cl 8041508 UQYZPPYJLCBUAF-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB O=C(NCc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 8476843 MWLBFXHPTGCAHX-UHFFFAOYSA-N 372.403 4.003 0 40 FIAB OCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2715003 PLXHYNKRPCZRSN-UHFFFAOYSA-N 364.836 4.145 0 40 FIAB COc1cccc(CCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)c1 22008438 CPDQUUDSXLDUNC-HXUWFJFHSA-N 369.461 4.009 0 40 FIAB CSc1c(SCc2ccccc2)cnn(Cc2ccccc2)c1=O 641779 JKSHCXSJTSFUFD-UHFFFAOYSA-N 354.500 4.306 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 104103261 CRLAIAQPBJRWEB-GCJKJVERSA-N 366.505 4.326 0 40 FIAB CC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C1CCCC1 12409916 AQSTYPKWORIZEU-UHFFFAOYSA-N 360.479 4.011 0 40 FIAB Cc1ccoc1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 16416799 NEXFEVIZAJELLV-CYBMUJFWSA-N 357.406 4.001 0 40 FIAB Cc1noc(C)c1[C@@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 61720438 BGEAGRJJVKBLAV-LBPRGKRZSA-N 368.414 4.192 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12547573 UFRACGFNRCJALJ-SCLBCKFNSA-N 369.852 4.347 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1 58438308 PQEFVWPSUOALNZ-CDMIOBSGSA-N 371.525 4.295 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cc(-c2ccco2)on1 8067307 LMTOYPQDTHZOKM-UHFFFAOYSA-N 361.781 4.489 0 40 FIAB CCC1(CC)O[C@@H]2c3cc(OC)c(OC)cc3C(=O)N2c2ccccc21 35326809 ROZNMSFWVYTQEB-HXUWFJFHSA-N 353.418 4.408 0 40 FIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)CSc1ccccc1 27922326 YFQSDRLKNVKGPU-UHFFFAOYSA-N 369.465 4.418 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(F)cc2)[nH]1 8116562 QUMLCULPTJKVOB-UHFFFAOYSA-N 374.803 4.060 0 40 FIAB COc1ccccc1-c1noc(CN(C)Cc2c(F)cccc2Cl)n1 58016087 TUBMWLWKRGTMFG-UHFFFAOYSA-N 361.804 4.170 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 8191360 WGNOATNQFOWUHC-UHFFFAOYSA-N 372.553 4.227 0 40 FIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1NCc1ccco1 3297785 QDURREVKDXYPEX-UHFFFAOYSA-N 374.396 4.413 0 40 FIAB COc1ccc(CN(C(=O)COc2ccc(C)cc2)c2ccccn2)cc1 27662328 LATUTVUFSDBJLN-UHFFFAOYSA-N 362.429 4.011 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4)nnc32)cc1C 2236136 UGCVDOFMZWOJPK-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB CC(C)COc1ccc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 10643992 QPMYJAKCDVTWHT-FQEVSTJZSA-N 363.461 4.158 0 40 FIAB Clc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1 2428579 BEGWKDQOJSWWQD-UHFFFAOYSA-N 364.836 4.356 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 12755218 NQAPFEFCXZHITQ-JHMRYYBSSA-N 374.912 4.308 0 40 FIAB Cc1ccc(C)c(Sc2ncccc2C(=O)NCCc2ccccn2)c1 12742962 OSYMLNKSHDWCSN-UHFFFAOYSA-N 363.486 4.217 0 40 FIAB CCCOc1c(Cl)cc(C(=O)N2CCc3ccccc3C2)cc1OC 12811823 WHFNPQMMCLEEKW-UHFFFAOYSA-N 359.853 4.336 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1F 20041549 PZEAGUJAVJSAOH-CYBMUJFWSA-N 365.470 4.171 0 40 FIAB Cc1ccc(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(C)c1 12926261 YEEJXGFMUBFITA-UHFFFAOYSA-N 373.522 4.009 0 40 FIAB Cc1ccc(-n2nnnc2Sc2ncnc3sc(C)c(C)c23)cc1C 8204778 KEGWHVZHUPRLSU-UHFFFAOYSA-N 368.491 4.052 0 40 FIAB N=C1S[C@@H](c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2)s1 5017019 AVMXXESPIRVLPS-INIZCTEOSA-N 365.483 4.490 0 40 FIAB O=C(/C=C/c1ccccn1)OCc1c(Cl)nc(Cl)n1-c1ccccc1 64808030 YMMBQMMXRHARMF-MDZDMXLPSA-N 374.227 4.331 0 40 FIAB c1coc(-c2nc3c4c5c(sc4nc(N4CCCCC4)n3n2)CCC5)c1 13732886 HALKKCWEIHQELX-UHFFFAOYSA-N 365.462 4.078 0 40 FIAB O=c1c(Cl)c(NC2CCCCCC2)cnn1-c1ccc(F)cc1F 65513951 XXEOXPFEQQPHSD-UHFFFAOYSA-N 353.800 4.299 0 40 FIAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 8715464 LOISFXZSWRJINC-UHFFFAOYSA-N 372.833 4.168 0 40 FIAB COc1ccc(Cc2noc3nc(-c4cccs4)cc(C(=O)O)c23)cc1 62710706 PNSRFSMODWTXFJ-UHFFFAOYSA-N 366.398 4.249 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)NCc3cccs3)s2)cc1OC 6764414 BWVTZGXFCASFAC-UHFFFAOYSA-N 374.487 4.127 0 40 FIAB CN(C)[C@@H](CNC(=O)CSc1ccc2ccccc2c1)c1ccccc1 4886653 HOJYIPSJFARYNJ-NRFANRHFSA-N 364.514 4.351 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)CCCc1c[nH]c2ccccc12 14908911 CPVNIMBLBPZGCS-UHFFFAOYSA-N 350.418 4.306 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(F)cc2)c[nH]1 8744725 CHOBQVNXTIJHAU-GFCCVEGCSA-N 371.437 4.344 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 21596431 WTNZGQUTVXCHFY-UHFFFAOYSA-N 352.381 4.395 0 40 FIAB O=C(CSc1nnc(C2CC2)o1)N[C@H](c1ccccc1)c1cccs1 7290299 OJSWYBVBAQHZTB-MRXNPFEDSA-N 371.487 4.006 0 40 FIAB Cc1cccc(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)c1C 8916339 YISHRQVYXAAZPJ-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB Cc1ccc(-c2noc(CSCc3nc(C(C)(C)C)no3)n2)cc1F 71818653 YJDKANRINGPMLC-UHFFFAOYSA-N 362.430 4.298 0 40 FIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1c(C)nc2ccccc21 95945868 SZCNWHWTLQRZPE-UHFFFAOYSA-N 372.490 4.412 0 40 FIAB CCOc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)c1 89269918 QQXSVVZNZGELFG-KRWDZBQOSA-N 350.374 4.263 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 29761849 HLTBGCHHMHAIHC-UHFFFAOYSA-N 358.869 4.297 0 40 FIAB COc1cccc(-c2nc(CS(=O)(=O)c3cccc(C)c3)cs2)c1 65523243 XQDBVSLDFXFMBZ-UHFFFAOYSA-N 359.472 4.101 0 40 FIAB CCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccc(C)cc3o2)c1 408628559 UTSVPBNLWISRTK-UHFFFAOYSA-N 369.446 4.122 0 40 FIAB CC[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)cc1C 219247570 MDLHPIKWHHPIOR-QFIPXVFZSA-N 366.505 4.017 0 40 FIAB O=C(O)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 216920433 AJMOKBARBZHOGR-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB Cc1nc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 33287283 LYCZMLGMYKAREV-UHFFFAOYSA-N 362.216 4.263 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2C)s1 39989151 ZHALVOOTLWIOBB-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)Nc1ccccc1Cl 225591754 GWVIVDISDYCCOA-QGZVFWFLSA-N 362.838 4.052 0 40 FIAB COc1ccc2cc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)ccc2c1 223670025 BJWURRNMJUHBGB-UHFFFAOYSA-N 371.502 4.096 0 40 FIAB COc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 225156553 XOPGUAIZWMLORL-KRWDZBQOSA-N 371.477 4.090 0 40 FIAB CC(C)Sc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 196079247 OHJMISSUPTXYNI-GREKMHCPSA-N 370.499 4.108 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCCc1cccs1 40119742 UQDRJUWSCUBDPM-UHFFFAOYSA-N 373.909 4.105 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223694797 ZIDIFRXWJKQBRA-ZWKOTPCHSA-N 351.490 4.470 0 40 FIAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Nc2ccc3nc(C)nn3c2)o1 572049280 OKCJUHPXMWSWQT-CXAGYDPISA-N 367.453 4.198 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COC)c2)cc1 224402811 SXGHLFKTTCREGZ-UHFFFAOYSA-N 371.433 4.051 0 40 FIAB COc1ccc2cc(S(=O)(=O)Nc3ccc(OC(C)C)cc3)ccc2c1 225761815 CXEOFNHEUBZLGI-UHFFFAOYSA-N 371.458 4.436 0 40 FIAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 42124274 MBKZDUTXKODGLU-OAHLLOKOSA-N 354.450 4.483 0 40 FIAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 224670060 VSNPZSQHLDWPBJ-UHFFFAOYSA-N 367.470 4.481 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccccc2C)CC1 224847642 MLYUXCHXNHVIHG-SFHVURJKSA-N 366.505 4.093 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 224425836 BGBOOYQTKWYDBI-SFHVURJKSA-N 355.478 4.137 0 40 FIAB CN(C)[C@H](CNCc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 97465754 BZGZQXANSVORRV-GOSISDBHSA-N 370.390 4.159 0 40 FIAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2ccccc2Cl)CC1 243184821 JYHOXEYYNUYAAA-UHFFFAOYSA-N 374.912 4.199 0 40 FIAB O=C(c1cccc(-n2cccn2)c1)N1CC2(CCCC2)c2c(F)cccc21 583958060 ZLRCAORBRYQVCN-UHFFFAOYSA-N 361.420 4.484 0 40 FIAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257201052 AFZDMYHXPZTZLM-IBGZPJMESA-N 365.408 4.167 0 40 FIAB C[C@@H](OC(=O)C1=C(Cl)CCCC1)C(=O)Nc1cccc2ncccc12 42604670 KHSBQRIRMFVKBF-GFCCVEGCSA-N 358.825 4.172 0 40 FIAB Cc1cccc(S(=O)(=O)N(Cc2cc(C3CC3)no2)c2ccccc2)c1 663938981 IDRZADKFMYIBDR-UHFFFAOYSA-N 368.458 4.256 0 40 FIAB CCc1nc(NC(=O)N2CCC(c3ccon3)CC2)sc1C(C)(C)C 667227370 HMCKDAURURWIQJ-UHFFFAOYSA-N 362.499 4.403 0 40 FIAB Cc1csc(C(=O)N2CC3(CCOCC3)[C@@H]2c2cnn(C(C)(C)C)c2)c1 585093499 AAMCZAXUDATWMC-KRWDZBQOSA-N 373.522 4.002 0 40 FIAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(S[C@@H]3CCc4ccccc4C3=O)nnc12 5060060 IIGBRGNTEUXQLW-PZPWOCDFSA-N 365.502 4.336 0 40 FIAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1C(C)(C)C 5472588 CWBWZJJSSTUTPN-QGZVFWFLSA-N 357.479 4.244 0 40 FIAB CCCCn1c2ccccc2c2nnc(SCCN(CC)CC)nc21 5485360 OCUZEYYKUPMJPW-UHFFFAOYSA-N 357.527 4.214 0 40 FIAB O=c1cc(O)c2sc3nc4c(c(-c5cccs5)c3c2[nH]1)CCCC4 5491277 LXXQBBPCDDVVTI-UHFFFAOYSA-N 354.456 4.451 0 40 FIAB Cc1nnc(SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)s1 11675616 QQWVKPXFEPHQDP-INIZCTEOSA-N 358.488 4.046 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Br 13006323 LHQGQQVMCXTIOU-LBPRGKRZSA-N 364.239 4.254 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1cccc(C)c1 14397250 BJZBFCSBYAHVAC-HXUWFJFHSA-N 373.518 4.211 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 14399469 KECYARISZYIIRT-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c1 17075752 FKDOUVCLGNMVJG-UHFFFAOYSA-N 369.490 4.025 0 40 FIAB COc1ccc(CN2CCCC[C@H]2c2n[nH]cc2-c2cc(C)no2)cc1 19120916 QGIYAUPETIMALH-SFHVURJKSA-N 352.438 4.109 0 40 FIAB Clc1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 19333894 WOEIYIUWEKKTKM-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB Nc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5616718 NVERPMPBBASPAD-UHFFFAOYSA-N 350.805 4.406 0 40 FIAB CCCCC/C=C\C[C@H](O)/C=C/c1cccc(C[C@H](O)CCCCO)n1 4489629 JNBOAUIJLDEICX-DWJNXXKWSA-N 361.526 4.048 0 40 FIAB in-vitro Cc1cc(C)c(OCC(=O)n2nnc3cc(C)c(Cl)cc32)c(Cl)c1 226359949 JEIIEFNBOCNARO-UHFFFAOYSA-N 364.232 4.383 0 40 FIAB CCc1ccc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1 226312020 QAPQULDSBFCUMU-UHFFFAOYSA-N 361.854 4.112 0 40 FIAB CCOC(=O)c1ccc(-c2ccc(I)cc2C)o1 226301931 MUYQDMQXIXOFPI-UHFFFAOYSA-N 356.159 4.036 0 40 FIAB COc1ccc(N2CCn3c(SCc4cccc(C)c4)nnc32)cc1 17123057 RATVBMCMWMQMMC-UHFFFAOYSA-N 352.463 4.039 0 40 FIAB Cc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCc2ccccc2C1 22906892 KGRFOOCRWZRTSX-OAQYLSRUSA-N 360.457 4.117 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 38500700 KQGGILFPISGDBQ-HOCLYGCPSA-N 373.472 4.355 0 40 FIAB Cc1c(F)cccc1Nc1ncncc1-c1nc(-c2ccsc2)no1 245053605 PCODGSKADAMWTD-UHFFFAOYSA-N 353.382 4.446 0 40 FIAB CCOc1ccc2nc(NC(=O)CSc3ccccc3N)sc2c1 7455817 AQLTZZXVSMGQSL-UHFFFAOYSA-N 359.476 4.008 0 40 FIAB O=C(CCOc1cccc(Cl)c1)Nc1ccc(Oc2ncccn2)cc1 40152698 AZXHPHRRRSVJAU-UHFFFAOYSA-N 369.808 4.330 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(F)cc1)OCO3 930007 NDVGBILMPMHTGY-UHFFFAOYSA-N 355.390 4.386 0 40 FIAB CCSc1nnc2c3c4c(sc3nc(SC)n12)C[C@H](C)CC4 1244228 WIPKGKCACPXOSQ-MRVPVSSYSA-N 350.538 4.298 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(N)=O)C1 1934917 XEWVGKWVBHBYRI-FZPLPXEFSA-N 374.893 4.277 0 40 FIAB CC[C@@H](C)NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2095904 VVEXRDHGJASLNM-LLVKDONJSA-N 355.434 4.312 0 40 FIAB biogenic Cc1cccc2cc3c(NC(=O)c4ccncc4)nn(CC(C)C)c3nc12 2211128 IZGUFXWGYYTXBQ-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1ccccn1 2341527 DRVJBBKZOYDNGA-LJQANCHMSA-N 372.355 4.077 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1 2530760 YGHJGQYNECSZDY-LLVKDONJSA-N 358.781 4.016 0 40 FIAB in-vitro COc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(C)c2)s1 2669802 JJYGGSGHTIAVTD-UHFFFAOYSA-N 368.458 4.068 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)s3)nc12 2723962 UBPPCLZWOGBOTC-UHFFFAOYSA-N 354.840 4.281 0 40 FIAB Cc1cccc(N2C(=O)c3ccc(C(=O)Oc4ccccc4)cc3C2=O)c1 3196384 REFAAEUBKXNMCX-UHFFFAOYSA-N 357.365 4.015 0 40 FIAB Brc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12 4061313 OWDOJAVQYXWKJY-UHFFFAOYSA-N 374.307 4.385 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 4173553 RKBFBHKIIBFCGA-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCCSc1ncc(-c2ccccc2)[nH]1 4315595 ZULRLRGYZFLKQO-UHFFFAOYSA-N 371.893 4.181 0 40 FIAB O=C(NC1CC1)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 4788598 JMVPCWPTZVFBBI-UHFFFAOYSA-N 356.425 4.498 0 40 FIAB C[C@@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)N1CCCC1 4829486 FRQVGIQVRFEOKU-OAHLLOKOSA-N 351.475 4.129 0 40 FIAB Clc1nc2ccccc2c(N2CCCCC2)c1CNC[C@@H]1CCCO1 5017404 KOELIPIJQZKMQZ-HNNXBMFYSA-N 359.901 4.147 0 40 FIAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 5228495 REXFWMANWYNMPV-DCUZGVIYSA-N 370.445 4.040 0 40 FIAB Cn1c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)nc2ccccc21 5236064 RYICJOYSGXDQBV-XNTDXEJSSA-N 369.833 4.468 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3c(C)cc(C)cc3O)n[nH]2)cc1Cl 5343913 JWVYOSFXJYMPKP-UHFFFAOYSA-N 371.824 4.313 0 40 FIAB CCCCN1C(=O)c2ccc(C(=O)Nc3c(C)cccc3CC)cc2C1=O 6558132 RACVMONPCACQHJ-UHFFFAOYSA-N 364.445 4.206 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 6589585 KCLXTWXPRXZVLN-LBPRGKRZSA-N 359.882 4.494 0 40 FIAB CCOC(=O)c1sc2nc(C)nc(NCc3ccc(F)cc3)c2c1C 6599706 CVYGQNWLHXBWTO-UHFFFAOYSA-N 359.426 4.236 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1c(Cl)nc(C)c(Cl)c1C 6668346 LIWRTGKHEMYNFU-UHFFFAOYSA-N 353.205 4.044 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(Br)cc1Cl 6838370 FQVPJCMOOYRBSE-GXFFZTMASA-N 360.679 4.176 0 40 FIAB COc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1 7652411 RJEKWLPEAZHHAV-UHFFFAOYSA-N 363.413 4.405 0 40 FIAB CCCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 7668842 GTVHXENZQYWOEF-UHFFFAOYSA-N 365.433 4.106 0 40 FIAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(OC(F)(F)F)cc1 7735546 DPLASFGMEHFAPC-VIFPVBQESA-N 355.278 4.388 0 40 FIAB Clc1cccc(-n2nnnc2SCCOc2ccccc2Cl)c1 7744127 APPJIEYFHXCHRG-UHFFFAOYSA-N 367.261 4.140 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2cccc3ccccc23)c1 7892380 IIFWFYWRKDYUJT-OAHLLOKOSA-N 365.429 4.113 0 40 FIAB NC(=O)c1c(NC(=O)C2(c3ccc(Cl)cc3)CC2)sc2c1CCCC2 7986748 SMNHKZXUMGERHE-UHFFFAOYSA-N 374.893 4.050 0 40 FIAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccccc1F 8429383 RTXZMZHSNAHNOD-UHFFFAOYSA-N 355.394 4.297 0 40 FIAB O=C1/C(=C/NCc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 8516337 UISRSYZHFFWJRR-LTGZKZEYSA-N 354.409 4.004 0 40 FIAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccncc2)c1 9281016 WKRRYRANSAYGIU-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3ccccc3)cc2c1 9462483 MUXSZQJLPIGANN-UHFFFAOYSA-N 358.397 4.277 0 40 FIAB Cc1ccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c(O)c1 10123581 AYPPXXXAHKFMAU-UHFFFAOYSA-N 358.344 4.205 0 40 FIAB CCOc1ncccc1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 10972610 ZYOWNRUWLBRCOF-UHFFFAOYSA-N 373.865 4.433 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)C2CC2)cc1 11370359 AYTNJTKBTCATLU-UHFFFAOYSA-N 362.351 4.235 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cnc(-c3ccccc3C)nc2)on1 12366558 KWTBEHMGBUYXRV-GHTZIAJQSA-N 362.477 4.249 0 40 FIAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C 12391723 UZNQLSONTYTFPB-UHFFFAOYSA-N 366.458 4.006 0 40 FIAB COc1cccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)c1 12395330 USPHMOGMDZDBCG-UHFFFAOYSA-N 373.359 4.007 0 40 FIAB Cc1ccc(CN(C)[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)o1 12598772 QQXPWKDOJPVIDM-AAEUAGOBSA-N 371.506 4.204 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)NC2CC2)c1 12784295 REJNPVLZNRLWDN-UHFFFAOYSA-N 363.244 4.067 0 40 FIAB CC(C)c1noc([C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 12939627 VRARNLRMHZVVQK-JTQLQIEISA-N 371.268 4.131 0 40 FIAB COc1ccc(-c2cc(COc3cc(OC)ccc3C(C)=O)on2)cc1 12972579 QWRUOXMDPZYBNK-UHFFFAOYSA-N 353.374 4.140 0 40 FIAB C[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1 13006923 MMIRSUQEBLEJFQ-ZDUSSCGKSA-N 356.422 4.352 0 40 FIAB CC(=O)Oc1ccc2nc(C(c3ccccc3)c3ccccc3)oc(=O)c2c1 13955221 GCIVAVBBVHJWEL-UHFFFAOYSA-N 371.392 4.294 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 15999530 KPEBQRUPTCYQQF-UHFFFAOYSA-N 367.417 4.233 0 40 FIAB C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(Br)cc1 20029695 FWILIZWYORTCBC-QMMMGPOBSA-N 358.157 4.357 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)C1(c2ccccc2)CCCC1 20143576 AKBJPMNVVVJVQP-UHFFFAOYSA-N 373.836 4.497 0 40 FIAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1OC 21577831 SWVWHVOZENFZNG-UHFFFAOYSA-N 358.413 4.086 0 40 FIAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCc2sccc2C1 22597786 DTCDPVWVKGKGAV-UHFFFAOYSA-N 358.463 4.138 0 40 FIAB Cc1cc(C)c([C@H](C)NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1C 22606067 CVXCTEUCOKXQQV-HNNXBMFYSA-N 366.436 4.094 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)OCc1noc(-c2ccsc2)n1 23007668 MDDMZTOWKXKIQO-UHFFFAOYSA-N 369.377 4.151 0 40 FIAB COc1ccc(-c2csc3c(=O)n(Cc4cccc(C)c4)cnc23)cc1 23126639 HGTWFEMGESLVAR-UHFFFAOYSA-N 362.454 4.490 0 40 FIAB Cc1nc2ccc(C(=O)Nc3ccc(Br)cc3)cc2nc1C 23184924 WBSDTWGSXMEXTB-UHFFFAOYSA-N 356.223 4.261 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 24752084 FGVOAARYLJJZJE-VHSXEESVSA-N 354.294 4.260 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1cccc(OC)c1)c1ccccc1Cl 27580407 KJZITPZPIUPOON-LJQANCHMSA-N 360.885 4.162 0 40 FIAB biogenic COc1ccc(OC)c(NC(=O)c2coc3cc(C)c(Cl)cc3c2=O)c1 27748921 IBXYFNYBIKCHNO-UHFFFAOYSA-N 373.792 4.024 0 40 FIAB Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(Br)cn3)cc12 27976487 FQTYMTMCFPXVII-UHFFFAOYSA-N 358.239 4.205 0 40 FIAB CCn1nccc1CNC(=O)c1sc2cc(Cl)ccc2c1Cl 28235380 XMAHPQLNHPXJLB-UHFFFAOYSA-N 354.262 4.355 0 40 FIAB CC(=O)c1ccc(Nc2nc3scc(CC(C)C)c3c3ncnn23)cc1 28286688 VDWPYBBFSDTAQB-UHFFFAOYSA-N 365.462 4.484 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3cccc(C)c3C)s2)cc1 28286819 LSXRYLRXECXNHN-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB CN(C)C(=O)c1cccc(NCc2ncc(-c3cccc(Cl)c3)o2)c1 32770326 QSROMDBKJAXRID-UHFFFAOYSA-N 355.825 4.309 0 40 FIAB COc1cccc(COC(=O)c2cccc(OCc3csc(C)n3)c2)c1 32836503 UBKBLVCQXAWXGH-UHFFFAOYSA-N 369.442 4.396 0 40 FIAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccccc1F 36621208 UZMPRRAJBFSUPU-FQEVSTJZSA-N 359.466 4.230 0 40 FIAB O=C(COc1ccc2c(c1)C(=O)CC2)Nc1ccc2c(c1)Cc1ccccc1-2 36708221 PTHJWVDYLFNNBS-UHFFFAOYSA-N 369.420 4.404 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(C(=O)c2ccoc2)C1 36729359 MLPQLXGVZRDNCR-LLVKDONJSA-N 367.232 4.077 0 40 FIAB Cc1cccc(OCc2nnc(SCc3cn4cccc(C)c4n3)o2)c1 39547468 MEOBRFHIZWEFCU-UHFFFAOYSA-N 366.446 4.205 0 40 FIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc(OC)c(OC)c1 39932763 IIMXQGONZFSONR-SFHVURJKSA-N 352.434 4.100 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc2ccccc2o1 39980638 QROJJCXCHSZVSQ-UKRRQHHQSA-N 358.438 4.010 0 40 FIAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 40039836 MQEKCQWBLQGOSA-NEPJUHHUSA-N 356.413 4.466 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1cc2cc(OC)ccc2oc1=O 40949256 AEDJMZRKLZPJHK-UHFFFAOYSA-N 351.402 4.179 0 40 FIAB O=C(c1cccc(CN2CCOCC2)c1)c1cc(Cl)ccc1Cl 43211034 DXHKURVKQCMRLF-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(F)cc1 43277667 IFILNRWVPZVZCM-UHFFFAOYSA-N 353.441 4.123 0 40 FIAB Cc1ccccc1CSCCNC(=O)CSCc1ccc(F)cc1 44949354 FPBYXMOUIOECDY-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)C[C@H](c2ccccc2)O1 48355312 LZXNERIFFIEZDF-SPYBWZPUSA-N 359.853 4.096 0 40 FIAB Cc1cc(C)c(NC(=O)c2nnn(-c3cccc(Cl)c3)c2C)c(C)c1 54849192 KYNXPDMZUYICMR-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1OC 58165956 XHSXRLCLUJBLJK-CMQXMCPJSA-N 365.473 4.341 0 40 FIAB O=C(COC(=O)c1cc2ccccc2c(Cl)n1)NC1CCCCCCC1 58751942 OVZCZCHHJOFWCM-UHFFFAOYSA-N 374.868 4.274 0 40 FIAB FC(F)(F)c1nc(NCCCN2Cc3ccccc3C2)c2ccccc2n1 60847102 AJTMPWSUBGBNCV-UHFFFAOYSA-N 372.394 4.466 0 40 FIAB COc1ccc2oc(/C=C/C(=O)Nc3ccc4ccc(=O)oc4c3)cc2c1 67339578 PISXBNOROQLDHZ-SOFGYWHQSA-N 361.353 4.200 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2ccc(Cc3ccncc3)cc2)s1 69571473 HAHJZUKQHZFQDJ-UHFFFAOYSA-N 352.463 4.101 0 40 FIAB CC(=O)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214892 YCGKETIBNWCCRM-KRWDZBQOSA-N 361.486 4.305 0 40 FIAB Cc1cc(NC(=O)N(CCN(C)C)C2CCCC2)ccc1Br 75107824 SDBCJAANQLJFHP-UHFFFAOYSA-N 368.319 4.096 0 40 FIAB CC(=O)Nc1cc(NCc2nc(-c3cccc(Cl)c3)no2)ccc1F 78785097 CAOYSONVWRFRQU-UHFFFAOYSA-N 360.776 4.100 0 40 FIAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc2c1OCCO2 84514566 GMQUWYRTNSVCIC-UHFFFAOYSA-N 367.376 4.428 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 95950181 PTNZHQQMONNOOD-UHFFFAOYSA-N 357.397 4.109 0 40 FIAB Brc1ccc(-c2ccnc3nc(-c4cccs4)nn23)s1 96345324 MXWYVWJTAXVXGC-UHFFFAOYSA-N 363.265 4.344 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 219309416 LJXQDZHVNNGTLF-GOSISDBHSA-N 355.478 4.218 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219502591 AEHZNTXUMPFLSU-DOTOQJQBSA-N 369.461 4.190 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 219520337 MZYPLUHSARQFCE-QFBILLFUSA-N 371.477 4.355 0 40 FIAB O=C(CCc1ccc(F)cc1)NCCSCc1cccc(Cl)c1 223629156 GXCCJGINBXLIFQ-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB Cc1ccc(CSCC(=O)Nc2nnc(SCC(C)C)s2)cc1 224964581 UPGITFFPZUISAX-UHFFFAOYSA-N 367.565 4.467 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225289059 STYZUGOQVSHHAM-KRWDZBQOSA-N 363.461 4.048 0 40 FIAB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225676479 SGZDGQBDOYMJGS-CYBMUJFWSA-N 364.228 4.352 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225727570 YFAKCDJWIDXIQZ-BEFAXECRSA-N 357.450 4.047 0 40 FIAB Cc1cccc(C2(NC(=S)Nc3ccc4c(c3)OCO4)CCCC2)c1 225851891 BGZLGIKWYHRAEU-UHFFFAOYSA-N 354.475 4.480 0 40 FIAB CCOCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1 225862127 FFOBAODBYKOFOY-UHFFFAOYSA-N 372.440 4.087 0 40 FIAB COc1ccc2c(Nc3ncc(C)s3)nc([C@@H]3CCCNC3)cc2c1 257225595 FGXREQHZAXQAOH-CYBMUJFWSA-N 354.479 4.219 0 40 FIAB CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409241849 OZAGCHQCLYRTBE-LFIBNONCSA-N 358.850 4.404 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@H](c1cccs1)n1cccn1 575613509 IFQCCHDHBGXHFL-LJQANCHMSA-N 361.470 4.046 0 40 FIAB Cc1nc(CO[C@@H]2CCN(c3ccnc4c(Cl)cccc34)C2)cs1 585083301 PDZYHPWFEWSYOO-CQSZACIVSA-N 359.882 4.449 0 40 FIAB CC(C)(C)OC(=O)c1cc(-c2ccnc(C(=O)OC(C)(C)C)c2)ccn1 1565504713 HIRRAKKZIOTIDN-UHFFFAOYSA-N 356.422 4.054 0 40 FIAB CC(=O)Nc1ccc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)cc1 822920 IIDWVZJHKJDNKX-UHFFFAOYSA-N 372.380 4.238 0 40 FIAB Cc1ccc(OC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1C 991727 NQBZMCJYEVUSGD-UHFFFAOYSA-N 371.392 4.323 0 40 FIAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccco3)C[C@@H]21 1323101 PGCHGQULJAVVAW-HRAATJIYSA-N 368.433 4.117 0 40 FIAB biogenic Cc1cccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)c1 1383893 SCORYRHMZIXGBR-UHFFFAOYSA-N 359.473 4.257 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1 1937420 LBWMHDGVZDBABA-IZZDOVSWSA-N 363.198 4.252 0 40 FIAB CCc1ccc(N2C(=O)C[C@H](N(CCC(C)C)CCC(C)C)C2=O)cc1 2227384 XDSCHLABBKFZIQ-FQEVSTJZSA-N 358.526 4.275 0 40 FIAB Cc1ccc(-c2nc3c4cnn(-c5cc(Cl)ccc5C)c4ncn3n2)cc1 2421899 DMLHTGAXAUWLFS-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C)c1ccccc1 3895946 GOJYTDMELMKTJF-NNMQDGNJSA-N 358.526 4.221 0 40 FIAB COc1ccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 5552702 JAHIZKPNOZDFTL-YVLHZVERSA-N 350.399 4.417 0 40 FIAB O=c1c2cc(Br)ccc2nc(S)n1CCC1=CCCCC1 5827477 PMDWFEQIGIZEKN-UHFFFAOYSA-N 365.296 4.338 0 40 FIAB O=S(=O)(Nc1ccc(Br)cc1Cl)c1cccc(F)c1 6083329 VPRNWQHJZUSBLX-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB COc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccccc2)cc1 6414369 VUEMQVCSLDHTAY-FQEVSTJZSA-N 363.486 4.299 0 40 FIAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1C 6479311 FRIFNDHCZZGYGQ-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(C)c2)cc1 6630408 XXWJODKQCQTRLG-UHFFFAOYSA-N 374.440 4.414 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 7268980 CTNREDFBNJDQJZ-GOSISDBHSA-N 359.429 4.003 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OC 7609506 SQPZWSPVXYXWJT-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB CC(C)c1cc(C(=O)OCCOc2ccccc2)c2cnn(C(C)C)c2n1 7789731 CSSRNCKRILVNNA-UHFFFAOYSA-N 367.449 4.371 0 40 FIAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7882477 CPJFKXKGGDHQDS-OAHLLOKOSA-N 364.832 4.485 0 40 FIAB CCc1ccc(OCC(=O)NCCC2=CCCCC2)c(Br)c1 8200081 RBYAIJHSFSNPAH-UHFFFAOYSA-N 366.299 4.397 0 40 FIAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2cn3ccsc3n2)cc1 8280630 SSWUTGGKTWCRNT-UHFFFAOYSA-N 374.425 4.385 0 40 FIAB Cc1ccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)cc1 8282660 CRVIZPORMVJSAR-UHFFFAOYSA-N 365.487 4.387 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(Cc2ccccc2)CC1 8558715 OSHUKLJCGHUKJH-HXUWFJFHSA-N 355.453 4.464 0 40 FIAB CC(C)c1ccc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 8603604 PIZCYVWGGONAKK-UHFFFAOYSA-N 354.475 4.337 0 40 FIAB CN(C)c1ccc([C@H](CNC(=O)C2CCC2)c2c[nH]c3ccccc23)cc1 8744967 OTGSWDZNDLKQHP-FQEVSTJZSA-N 361.489 4.282 0 40 FIAB Cc1cc(C)c(NCC(=O)Nc2cc3c(cc2Cl)OCCO3)c(C)c1 11040985 SZAMRLHYDAXOCK-UHFFFAOYSA-N 360.841 4.087 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(C3CC3)[nH]2)cs1 11571230 XEUXUTHLBZEOTD-UHFFFAOYSA-N 371.491 4.116 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c1 11916785 UKRLRKIUIPYLII-UHFFFAOYSA-N 356.353 4.059 0 40 FIAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccc(Br)cc1 12342197 JPIQNXLYUCFYCE-MJBXVCDLSA-N 354.288 4.257 0 40 FIAB CCSC1=Nc2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 12409534 DWHYSWILFYZKSQ-UHFFFAOYSA-N 359.886 4.041 0 40 FIAB COc1ccc(OCCCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 12475778 ANRQEJCUVUFCLU-UHFFFAOYSA-N 369.446 4.011 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 12787203 MQUJJIDPHTWSQI-NEPJUHHUSA-N 369.412 4.364 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc21 12856658 RWBRLSLJSZJVHL-UHFFFAOYSA-N 372.852 4.045 0 40 FIAB CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1ccsc1 12910956 WOSCNXWHUNSJQG-UHFFFAOYSA-N 362.804 4.491 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 12932991 VMONOEMXMDDYAH-SFHVURJKSA-N 350.462 4.418 0 40 FIAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C 14214591 LEWSIRSXQXCKSZ-INIZCTEOSA-N 358.441 4.294 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3cccc(F)c3)n2)cc1OC 14255535 OMMFBFSPEGERTG-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CN(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccc1 15628915 NAEDLIBQTOINEQ-NRFANRHFSA-N 357.409 4.417 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 16311267 PZLPRFYUNGCNHN-SCLBCKFNSA-N 352.881 4.138 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)c1nccnc1-c1nc2ccccc2s1 16779990 OFAMVUMDEHQCDV-CYBMUJFWSA-N 372.453 4.345 0 40 FIAB Cc1ccccc1-c1nc(NC(=O)[C@H](C)Oc2ccccc2Cl)no1 21806690 VTAUNAMZRPUJOY-LBPRGKRZSA-N 357.797 4.104 0 40 FIAB O=C(Nc1ncccc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 22263476 HJDNWYCVPFQPSH-UHFFFAOYSA-N 350.218 4.077 0 40 FIAB COc1ccc2cc(CNC(=O)Cc3coc(-c4ccccc4)n3)ccc2c1 22432614 LACVYIJNGNXSRP-UHFFFAOYSA-N 372.424 4.362 0 40 FIAB COc1ccc(NC(=O)c2csc(Nc3ccccc3)n2)c(OC)c1 23136791 QMBLEEMUUJNNAV-UHFFFAOYSA-N 355.419 4.156 0 40 FIAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)cc1 27581629 WPUHVIGBUQQYAQ-QFIPXVFZSA-N 366.505 4.026 0 40 FIAB CCc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1 27801043 ZBVMUYOBCFFYFB-UHFFFAOYSA-N 360.417 4.351 0 40 FIAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@@H]1c1ccncc1 32760322 RMMYJFLKUZRWCQ-QGZVFWFLSA-N 370.250 4.303 0 40 FIAB O=C(CSCc1csc(-c2cccs2)n1)NCc1cccs1 32772110 YOMCIVPUONIHBD-UHFFFAOYSA-N 366.558 4.483 0 40 FIAB CCCCC(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccc(CC)cc2)cs1 32942915 HUJALFXINDSJHU-ZDUSSCGKSA-N 360.479 4.433 0 40 FIAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1sccc1-c1ccccc1 32966820 YANLKTKKIMQOMG-MRXNPFEDSA-N 365.454 4.327 0 40 FIAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(Br)c1OC 33541623 LGWRBNIUNHHDCQ-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc2C1 38835859 JZGPOQCJYSGGSE-FQEVSTJZSA-N 368.908 4.137 0 40 FIAB Cc1cc(=O)oc2cc(OC(=O)[C@@H](C)Oc3ccccc3Cl)ccc12 40069525 KIHPDEZONZKDRK-GFCCVEGCSA-N 358.777 4.128 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccccc2OC)cc1Cl 40090599 PZPLTLXKDHRBII-UHFFFAOYSA-N 374.868 4.012 0 40 FIAB CCc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(C)cc2)cc1 41157154 GHTJNASRVLJZEN-IBGZPJMESA-N 370.518 4.048 0 40 FIAB C[C@@H]1CN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CCO1 43552945 SFWGRTSYVRKHIF-CYBMUJFWSA-N 353.447 4.216 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1 45719098 WMDPVNZICRDMOD-HOTGVXAUSA-N 353.466 4.417 0 40 FIAB O=C(CSc1ccc(O)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 47894956 APOWQYYVEILERV-INIZCTEOSA-N 368.414 4.048 0 40 FIAB CCn1cc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cn1 48263124 WKMMJOSHZBTSTJ-UHFFFAOYSA-N 373.412 4.237 0 40 FIAB O=C(CCc1ccco1)N1CCc2[nH]c3c(Br)cccc3c2C1 55730967 QYHQUBBQMADXBQ-UHFFFAOYSA-N 373.250 4.041 0 40 FIAB COc1c(Br)cc(C(C)(C)C)cc1C(=O)N1CCCCC1 57339389 RNZMNMBQHACUSI-UHFFFAOYSA-N 354.288 4.381 0 40 FIAB CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(C)c1 58157002 UGKGCSNRKHHOIA-UHFFFAOYSA-N 359.853 4.405 0 40 FIAB O=C(NCc1ccc(O)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 58430443 CCFYZZSYICFTBH-UHFFFAOYSA-N 365.816 4.207 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1O 59200832 RQOILLKRYWOOPC-UHFFFAOYSA-N 350.852 4.386 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3c(F)cccc3F)o2)cc1 63889029 RJBMRFLIXGUAOX-UHFFFAOYSA-N 358.344 4.200 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3c(O)cc(F)cc3F)s2)c(C)c1 66054135 OKQLDIMOYJUDGE-UHFFFAOYSA-N 361.373 4.058 0 40 FIAB O=C1[C@H]2Cc3ccccc3CN2C(=S)N1c1ccc(Cl)c(Cl)c1 67341322 HBDFCADZVRQNLN-OAHLLOKOSA-N 363.269 4.052 0 40 FIAB NC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 73635406 QSNWPXMTFGSCOE-UHFFFAOYSA-N 367.655 4.478 0 40 FIAB COCCOCCC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C 74338813 IYHCZWMAVUPOSN-NBQZKYEYSA-N 361.507 4.110 0 40 FIAB C[C@@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)c1cccs1 75155909 MLHUBKWPUMISCQ-OAQYLSRUSA-N 365.454 4.010 0 40 FIAB CCOc1ccc(-c2nc(-c3ccccc3Br)n[nH]2)cc1OC 85384387 RABKMDHWOUSVQB-UHFFFAOYSA-N 374.238 4.309 0 40 FIAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccc(Cl)cc1 85397517 WKAZBHHCZLOWAJ-UHFFFAOYSA-N 374.849 4.411 0 40 FIAB CC(C)c1cccc(CN(c2nccs2)S(=O)(=O)c2ccccc2)n1 95979986 JOPCASIOXNOXFL-UHFFFAOYSA-N 373.503 4.057 0 40 FIAB O=C(NCc1cccc(Oc2ccccn2)c1)c1cc(-c2ccccc2)on1 96104536 MSFLIWXZFSEGJA-UHFFFAOYSA-N 371.396 4.459 0 40 FIAB Cc1ccccc1-c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 142385507 WZYJCLIFAJVGLW-SFHVURJKSA-N 355.434 4.182 0 40 FIAB CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 223431130 QIQRVAMFYNCNHJ-UHFFFAOYSA-N 364.681 4.468 0 40 FIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223843178 SZZAZQBBMFPAHD-SJORKVTESA-N 367.499 4.334 0 40 FIAB COc1ccc(CCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 224481376 VRWHEBRZOTWZBP-UHFFFAOYSA-N 355.478 4.255 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 224530903 AXAUYVUWWMPKIZ-IBGZPJMESA-N 350.506 4.127 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)ccc21 225111655 MMKGQWTULCFQTE-AWEZNQCLSA-N 370.474 4.106 0 40 FIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225595273 ASZKNRIXEYYJRM-GOSISDBHSA-N 365.470 4.208 0 40 FIAB CC(C)N1CC[C@@H](CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[C@H](C)C1 247980920 HCJTYJZVXXRLGC-QFUCXCTJSA-N 358.526 4.103 0 40 FIAB Cc1nc(Nc2nccs2)cc([C@H]2CCCCN2Cc2cncs2)n1 257207878 BJSZPUKUQYLIQP-OAHLLOKOSA-N 372.523 4.169 0 40 FIAB CC1(C)CC2(CCN(CC(=O)Nc3cccc4ccccc34)CC2)CO1 257314982 UZKDCIFYBHBXGG-UHFFFAOYSA-N 352.478 4.059 0 40 FIAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1OC 260781636 UEMQGOJQZBZZSB-UPRAQXHNSA-N 369.490 4.078 0 40 FIAB S=C(NC[C@@H]1CCCO1)c1ccccc1OCc1ccccc1Cl 408577553 TUABEJAUKAVWIW-HNNXBMFYSA-N 361.894 4.363 0 40 FIAB COCCNC(=S)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408578336 XQBKROKPOIFWMD-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB O=C(NC1(c2ccccc2F)CCC1)c1ccc(OC2CCOCC2)cc1 648537845 GRGQZENGXFSPJD-UHFFFAOYSA-N 369.436 4.193 0 40 FIAB Cc1cccc(-n2cc(CNc3ccc4c(c3)CCCC(=O)N4)c(C)n2)c1 651753997 PGQHIUFHRQKILH-UHFFFAOYSA-N 360.461 4.376 0 40 FIAB Cc1ccc2c(c1)NC(=O)C[C@@H]1CCN(Cc3cccs3)C[C@@H]1CCO2 1534646410 JZNRVLHIGPXHMS-IRXDYDNUSA-N 370.518 4.306 0 40 FIAB FC(F)(F)c1cc(-c2ccccc2)n(-c2cc(N3CCCCC3)ncn2)n1 755292 MGBZWAGUZKUARO-UHFFFAOYSA-N 373.382 4.338 0 40 FIAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CCCCC1 793566 HIZNSNLNSQUJCR-UHFFFAOYSA-N 364.902 4.247 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2I)cc1C 834150 LNVSTNCRDOYMBI-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB Cc1cc(C(C)(C)C)cc(C)c1C(=O)C[C@]1(O)C(=O)N(C)c2ccccc21 1320301 YTYLBIMYNDVYOL-HSZRJFAPSA-N 365.473 4.038 0 40 FIAB Cc1ccc(-c2cnc(SCC(=O)Nc3nc(C)c(C)s3)[nH]2)cc1 1355634 PGNRVWHOLOHYSR-UHFFFAOYSA-N 358.492 4.189 0 40 FIAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)C(C)(C)C)nc3C2)cc1 2398899 XCBXQWASZOQBBF-INIZCTEOSA-N 365.477 4.497 0 40 FIAB CC1(C)Cc2ccccc2C(CSc2nnc3c(n2)[nH]c2ccccc23)=N1 2504002 IPZLWMCLGBNNOP-UHFFFAOYSA-N 373.485 4.422 0 40 FIAB CC(C)Sc1nnc(CSc2ncccn2)n1CCc1ccccc1 2706044 VCUOMRWJQCCPJN-UHFFFAOYSA-N 371.535 4.104 0 40 FIAB CC(C)(C)C(=O)OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3231904 JVKXPPWKLCRAMU-UHFFFAOYSA-N 373.836 4.099 0 40 FIAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1c(F)cccc1F 4072465 HUJCEGYAUXAAFA-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 4731896 YHIZDVSXIQMQJM-UHFFFAOYSA-N 367.449 4.272 0 40 FIAB Cc1nc(SCC(=O)N2CCCc3ccccc32)n(CC(C)C)c1C 5151928 SPGZFWMWDAENSK-UHFFFAOYSA-N 357.523 4.227 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(Cl)cc1Cl 5375312 LYGMSAJMWXZXOR-OAHLLOKOSA-N 354.189 4.292 0 40 FIAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)c1 5389397 OCFXYOBJKBGYQZ-UHFFFAOYSA-N 357.797 4.431 0 40 FIAB COc1ccc(C(C)(C)C)cc1NCC(=O)Nc1ccc(OC)c(OC)c1 6509772 OJLMATHFCVFARC-UHFFFAOYSA-N 372.465 4.061 0 40 FIAB Cc1ccc2[nH]c(SCCCCN3C(=O)c4ccccc4C3=O)nc2c1 6609992 AYHGKDONAORMFO-UHFFFAOYSA-N 365.458 4.040 0 40 FIAB COc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1OC 6787957 XDDRRSRKCQDTSS-UHFFFAOYSA-N 371.380 4.453 0 40 FIAB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 6952911 DGOLNROAEJLABN-PMUMKWKESA-N 366.373 4.128 0 40 FIAB Cc1ccc2nc(CSc3nc(C)c(C)n3C3CCCC3)cc(=O)n2c1 7140131 RFANFYBODNKIPB-UHFFFAOYSA-N 368.506 4.224 0 40 FIAB COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 7489673 UOHSLJKWHBYCNB-HXUWFJFHSA-N 353.443 4.041 0 40 FIAB C[C@@H]1Cc2ccccc2N1Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 7674280 BQAVCRQEBZNYEX-GFCCVEGCSA-N 363.442 4.196 0 40 FIAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(C)c1-c1ccc(F)cc1 8080347 PMIAHAPJRHKZQM-XDOYNYLZSA-N 370.449 4.205 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)CCSc1ccc(Cl)cc1 8134906 VDCWKWKRXVCSJL-UHFFFAOYSA-N 373.909 4.297 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8558308 RJMLVTYAXQSTBJ-KRWDZBQOSA-N 368.477 4.239 0 40 FIAB CNc1oc(C(c2ccccc2)c2ccccc2)nc1P(=O)(OC)OC 8869335 YKIOPDJZKZSKFL-UHFFFAOYSA-N 372.361 4.008 0 40 FIAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NC3CCCCC3)c12 9113638 OVGJZIHEFJSFBR-UHFFFAOYSA-N 353.397 4.400 0 40 FIAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc[nH]1 10364905 OURJJFQSHDVZTO-UHFFFAOYSA-N 369.804 4.287 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 10684247 YGAJRIMODPVFTQ-KBPBESRZSA-N 374.868 4.274 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12532056 VZERTGPGFOGMMJ-QFIPXVFZSA-N 373.431 4.161 0 40 FIAB Cn1c(SCc2ccccn2)nc2scc(-c3ccccc3)c2c1=O 12543459 WTDZEPAZSVGAGE-UHFFFAOYSA-N 365.483 4.349 0 40 FIAB Cc1cccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)c1 12806542 RPMXYBWSOOYLGY-UHFFFAOYSA-N 360.413 4.156 0 40 FIAB COC(=O)c1c(NC(=O)CN[C@H](C)c2cc(C)ccc2C)sc(C)c1C 12849582 XEVXLSKTDGQWIS-CQSZACIVSA-N 374.506 4.058 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 12902100 XNZJDNXXPPVQEU-AEFFLSMTSA-N 358.507 4.104 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2Br)cc1C 12905730 RNNHORRKCZFHHA-UHFFFAOYSA-N 365.202 4.107 0 40 FIAB CC(=O)N1CCc2cc(-c3nc(-c4ccc(O)cc4)sc3C)ccc21 12935365 GUEBQPUAFNGVSF-UHFFFAOYSA-N 350.443 4.400 0 40 FIAB Cc1cccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 13233551 RCDMZMLCIVEFRF-FQEVSTJZSA-N 372.468 4.375 0 40 FIAB O=C(Cc1noc2ccccc12)N[C@@H]1CCSc2ccc(Cl)cc21 14242672 KHVINIYRLOPEBC-CQSZACIVSA-N 358.850 4.377 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3ccccc3F)c2C1 17072682 MPHOJFDFIMEUPR-AWEZNQCLSA-N 350.393 4.241 0 40 FIAB COc1cc(-c2nc3cnccn3c2Nc2c(C)cccc2C)ccc1O 18222017 MZNYWMDAODWBCD-UHFFFAOYSA-N 360.417 4.471 0 40 FIAB COc1c(C)cccc1CN1CCc2onc(Nc3cccc(F)c3)c2C1 19235996 MZFBGKFKAUNESF-UHFFFAOYSA-N 367.424 4.433 0 40 FIAB COC(=O)c1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)c(F)cc1F 24778614 YJTADTPUJMBFLB-UHFFFAOYSA-N 373.355 4.296 0 40 FIAB O=C(NC1CC1)[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 25053562 IDVVDWSWBLVKAE-INIZCTEOSA-N 368.330 4.156 0 40 FIAB Cc1ccc(C(=O)C2CCN(c3nccc(C(F)(F)F)n3)CC2)c(C)c1 25576714 GVHBGIVWABCIBK-UHFFFAOYSA-N 363.383 4.212 0 40 FIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c12 29516624 AYEBJCXNBIJHLY-CHWSQXEVSA-N 368.506 4.123 0 40 FIAB CC(C)C[C@@H](C(=O)Nc1ccc2cc[nH]c2c1)N1Cc2ccccc2C1=O 32124027 GXMYKODZUPSQKC-FQEVSTJZSA-N 361.445 4.177 0 40 FIAB biogenic COc1cccc(NC(=O)Nc2nn(Cc3ccccc3F)cc2Cl)c1 32609660 PHCPGYCSUHRFGP-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB Cc1ccc2[nH]c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2c1 32762797 SQDUCOXAOMYZQA-SFHVURJKSA-N 353.491 4.105 0 40 FIAB CCc1noc(-c2cccc(NC(=O)c3ccccc3Br)c2)n1 33012805 MGINTCICDDEZFE-UHFFFAOYSA-N 372.222 4.314 0 40 FIAB O=C(C1CCN(c2nc3ccccc3s2)CC1)N1CCc2ccccc21 35315111 CIGRRPCSCAXWDF-UHFFFAOYSA-N 363.486 4.102 0 40 FIAB Cc1ccc(C)c(NC(=O)Cc2noc(COc3ccccc3Cl)n2)c1 35316242 RPFDQBKKUJMMSY-UHFFFAOYSA-N 371.824 4.100 0 40 FIAB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 35648717 WCQJVVFITSEHIG-FFVMJPMASA-N 369.895 4.041 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(OC)cc2)cc1OCC 36758822 ZGQWDNZUTAHMCK-INIZCTEOSA-N 371.477 4.303 0 40 FIAB CN(C)c1cccc(C(=O)NCc2ccccc2COCc2ccccc2)c1 40094747 UWLUAYCSYDBGLX-UHFFFAOYSA-N 374.484 4.399 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)c3cccnc3SC(C)C)cn2)n1 40121951 WWSWRRHAOAHONK-UHFFFAOYSA-N 367.478 4.032 0 40 FIAB O=C(c1ccc(CN2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 43210866 HRRQDCWBVVQQQF-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3CC[C@]21C)OCCO5 43604272 JTZTZZVWEJMKLI-CFPLAWGXSA-N 374.521 4.012 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccccc1Cl 44900335 HCVHECIHEGLBBV-LJQANCHMSA-N 361.869 4.255 0 40 FIAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1cnn(C(C)(C)C)c1 54681979 CZISJZUCGWLEDM-IBGZPJMESA-N 364.449 4.022 0 40 FIAB O=C(Nc1cccc(-c2cnco2)c1)C1(c2ccc(F)cc2)CCOCC1 57230893 HQRHHGRFETZADT-UHFFFAOYSA-N 366.392 4.168 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(Cl)nc3)CC2)cc1 65816961 LAESRZKFVHXVIF-UHFFFAOYSA-N 357.841 4.170 0 40 FIAB CCc1nc(C)c([C@H](C)OC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)s1 72294340 NVMQPCVMMCKELE-YOEHRIQHSA-N 374.506 4.194 0 40 FIAB COc1ccccc1-c1nccnc1[C@@H]1CCCN(C(=O)C2CCCC2)C1 72358947 OITLUJBIABDKTN-QGZVFWFLSA-N 365.477 4.048 0 40 FIAB CC(C)c1nccn1-c1cccc(C2CCN(C(=O)c3ccccc3)CC2)n1 72378399 KRLJLVAKJRBEEU-UHFFFAOYSA-N 374.488 4.411 0 40 FIAB CC[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)cc1 75512576 LSBIJRUQSXVFPZ-HXUWFJFHSA-N 353.462 4.011 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cccc(Br)c1 83264758 CZOYWCOIXJLFHC-CQSZACIVSA-N 355.276 4.261 0 40 FIAB CN(CCC(=O)OC(C)(C)C)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 84199676 MULUCKPLOKJTJD-UHFFFAOYSA-N 368.886 4.200 0 40 FIAB COc1ncccc1CN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 84633099 HXAJXOWNUMVAAR-QGZVFWFLSA-N 364.493 4.400 0 40 FIAB Clc1ccc2nc(-c3ccccc3)c(I)n2c1 96536905 BMBCPTCMKUTIHT-UHFFFAOYSA-N 354.578 4.259 0 40 FIAB CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 102624045 GPWIOHQIWAIUBJ-MRXNPFEDSA-N 370.478 4.403 0 40 FIAB CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1O 208842184 DRIORZDNGMDEOE-YBEGLDIGSA-N 357.387 4.150 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cccc(C(=O)OC)c1C 222956866 RRRIEXYFESRSQB-GOSISDBHSA-N 355.434 4.195 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)COc1ccccc1C 222998913 GVIPQTFZOKHFGN-UYAOXDASSA-N 355.478 4.353 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCOc1ccc(F)cc1 223378168 TYEBXYWVXWJDOL-KRXBUXKQSA-N 354.208 4.341 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223763288 LLPLNVIXGSFWFQ-INIZCTEOSA-N 371.437 4.449 0 40 FIAB COc1ccc(SCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224338705 CFFCNFOOBDHSFM-UHFFFAOYSA-N 373.518 4.280 0 40 FIAB O=C(CCc1ccccc1F)Nc1ccccc1C(=O)N1CCCCCC1 224513881 YTVXHCOWVUXPDY-UHFFFAOYSA-N 368.452 4.413 0 40 FIAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224963641 YLFNHTRTNCVLNQ-UHFFFAOYSA-N 367.898 4.489 0 40 FIAB S=C(NCCCN1CCc2ccccc2C1)Nc1cccc(Cl)c1 225742272 QEBQYNXTXDDDDQ-UHFFFAOYSA-N 359.926 4.075 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 408628854 DWMKFXQATRIIRU-GFCCVEGCSA-N 372.490 4.011 0 40 FIAB Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1 408739329 ZLXAFWSIOHOHLH-NRFANRHFSA-N 374.440 4.333 0 40 FIAB O=C(NCc1ccccc1OC(F)F)NC[C@H]1CCCc2ccccc21 504212272 MHISOXFNSVOCAS-OAHLLOKOSA-N 360.404 4.207 0 40 FIAB CC[C@@H](NC(=O)c1cc2ccccc2c(=O)n1C)c1ccc(Cl)s1 512925239 DBXQZTALJNZPQD-CYBMUJFWSA-N 360.866 4.135 0 40 FIAB CCCCN(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 575421330 OOOZMIVCRTZYSK-FQEVSTJZSA-N 357.519 4.065 0 40 FIAB CC(C)Cn1ncc(NC(=O)NC[C@H]2CCC3(CCCC3)O2)c1C(C)C 654025742 NCUMIMDAJITEPV-MRXNPFEDSA-N 362.518 4.276 0 40 FIAB COc1ccc(-c2nsc3c(N4CCc5ccccc5C4)ncnc23)cc1 1370750 ROEBRTLLOZKBPE-UHFFFAOYSA-N 374.469 4.325 0 40 FIAB CC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(Cl)cc1 1388101 HPQIZFUVOATUJD-UHFFFAOYSA-N 364.776 4.307 0 40 FIAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)[C@@H]1CCCO1 1518673 BXZGVKKIYVFKQS-ZDUSSCGKSA-N 357.262 4.158 0 40 FIAB Cc1c(C)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(C)c2oc1=O 2246031 SXCQJQACUCULKD-UHFFFAOYSA-N 371.820 4.389 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)cc1 3260634 OQEGJAICHURFGI-INIZCTEOSA-N 358.265 4.050 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCSc1ccc(Cl)cc1 3300923 TYIFESDQRILXKE-ZIAGYGMSSA-N 369.914 4.155 0 40 FIAB CC(=O)NCCC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 3430621 FDCZGFFBEHDJRF-UHFFFAOYSA-N 373.865 4.141 0 40 FIAB CCC(=O)c1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 3566544 QMWYNHSPTMIWOY-UHFFFAOYSA-N 354.793 4.271 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)cc1 3668501 MJQJVZDOGXHJEL-UHFFFAOYSA-N 367.314 4.235 0 40 FIAB COc1cccc2cc(C(=O)O[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)c(=O)oc12 4291918 QUDRNXUTQSASJD-FQWGINHLSA-N 356.418 4.173 0 40 FIAB COc1ccccc1NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 4433411 HRWGKQJEOJRTLE-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB COc1ccccc1/C=C/c1nn2c(-c3ccc(F)cc3)nnc2s1 4664958 URCFJPXWJBAPRL-DHZHZOJOSA-N 352.394 4.171 0 40 FIAB Cc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1 4664987 JOXDOKLRPMYDGK-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)n1cnc2ccccc2c1=O 5206557 FCUQZBMYVWMRCZ-KRWDZBQOSA-N 373.815 4.025 0 40 FIAB Cc1nnc(COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)o1 5627297 BTFGCJLBZIYATL-UHFFFAOYSA-N 352.268 4.014 0 40 FIAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3)[nH]c2c1 5691307 NKXBNODKFSVKPH-LLVKDONJSA-N 359.426 4.220 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(F)c1 6084989 DPOHILXADRHYCB-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1C 6316445 KENHNBSPEMHAOL-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1CCC(C)CC1 6382248 UGBFKDFUCIJCEJ-CNBHCMJISA-N 353.547 4.009 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1 6554300 IIOVLEPCKUKYJO-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 6563802 YDWHXTDMFDLVOY-OXBCTQFSSA-N 369.895 4.041 0 40 FIAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1 6630110 VXADBBUKZCZGCJ-UHFFFAOYSA-N 365.481 4.170 0 40 FIAB COc1ccccc1CNC(=O)c1ccccc1OCc1ccc(F)cc1 6638680 CYQKGZRBXJEZDE-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)N[C@@H]3CCSc4ccccc43)c2O1 6654617 XVDWPMHVIWBLRN-MRXNPFEDSA-N 369.486 4.132 0 40 FIAB CCCc1ccc(OCCn2c(C)c(C(=O)OC)c3cc(O)ccc32)cc1 6659152 WDOBWGKJOMHNAE-UHFFFAOYSA-N 367.445 4.473 0 40 FIAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 7057925 HZHOIGAJYAYNLK-AWEZNQCLSA-N 369.465 4.216 0 40 FIAB COC[C@H](C)Nc1nc(-c2ccc(OC)c(Br)c2)cs1 7763408 KVBFAUYJTYRVRX-VIFPVBQESA-N 357.273 4.028 0 40 FIAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(-c2ccccc2)s1 7959202 WMAZIFYIMKZKIM-SFHVURJKSA-N 368.458 4.091 0 40 FIAB COc1ccc2oc(C(=O)OCc3cn4cc(Cl)ccc4n3)c(C)c2c1 7983400 TZWLQCLFSJXALF-UHFFFAOYSA-N 370.792 4.408 0 40 FIAB C[C@H]1Oc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2NC1=O 8014246 VYOVBMCNPBNDQE-OAHLLOKOSA-N 372.424 4.177 0 40 FIAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ncnc2ccsc12 8329096 ORBRGMOPYGNGTM-LLVKDONJSA-N 357.460 4.013 0 40 FIAB COc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 8903614 PBMJZZUQFLUOCP-UHFFFAOYSA-N 370.430 4.122 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 11092432 BUQJTXXUKSAPPF-HRAATJIYSA-N 368.477 4.080 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 12296890 CDDYZYIBFIQEGM-ZWKOTPCHSA-N 369.534 4.113 0 40 FIAB biogenic CC1CCN(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 12421972 MEVCGRIXYSZRDS-MRXNPFEDSA-N 360.929 4.266 0 40 FIAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1ccco1 12649524 PVHZLVSBCBZSNI-ZPVISIIKSA-N 352.272 4.020 0 40 FIAB CCn1ncc2c(C(=O)Nc3ncc(C)s3)cc(-c3cccs3)nc21 12817219 BPHKIZNDVHBSHY-UHFFFAOYSA-N 369.475 4.197 0 40 FIAB CC(C)(C)c1nc(CSc2nnc(Nc3ccc(F)cc3)s2)no1 12929828 HXBYMPMCCWDENF-UHFFFAOYSA-N 365.459 4.394 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)ccc1OC)O[C@H](C)C2 12975556 ANFNYVDEVJZBPX-LLVKDONJSA-N 361.825 4.323 0 40 FIAB COCC(=O)n1nc(-c2cccs2)nc1NCc1ccc(C(C)C)cc1 13844086 HSRVGBKPYGVABR-UHFFFAOYSA-N 370.478 4.029 0 40 FIAB CNC(=O)c1ccc(NC(=O)COc2cc(C(C)C)c(Cl)cc2C)cc1 14345216 OROCHRUYWDSPLO-UHFFFAOYSA-N 374.868 4.149 0 40 FIAB COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O 14762669 UQFQODVSORPELA-QGZVFWFLSA-N 370.401 4.027 0 40 FIAB biogenic,in-vitro Fc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 17311058 YMTUIRRUSAPRPH-UHFFFAOYSA-N 372.447 4.422 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 21961593 HMQAGBMTKJSDLO-IBGZPJMESA-N 366.505 4.065 0 40 FIAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N1CCCCCC1 22314838 YKQWULUJZJPSQB-UHFFFAOYSA-N 355.457 4.297 0 40 FIAB Cc1cc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c(C)n1Cc1ccco1 24886231 GYNMPYFYGVHKQV-UHFFFAOYSA-N 360.417 4.389 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)CCNc2ccc(OC)cc2)cc1 24969377 OKRZENRJZDEWNU-NRFANRHFSA-N 368.477 4.260 0 40 FIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)[C@@H](C)c3ccccc3)c12 25616821 TVWCGEJZOPUPIW-HNNXBMFYSA-N 350.466 4.233 0 40 FIAB O=C(NCC1CC1)c1ccccc1OCc1ccccc1Br 26207782 RQFOYYDPJREORL-UHFFFAOYSA-N 360.251 4.168 0 40 FIAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CN2CCc3ccccc3C2)CCCC1 28296721 HCDJNEJOECELJK-OAQYLSRUSA-N 374.528 4.248 0 40 FIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 30757634 GQRKFYMKRZRIBI-INIZCTEOSA-N 360.866 4.196 0 40 FIAB Cc1ccccc1NC(=O)CSc1nncc2c1[nH]c1ccc(F)cc12 32752888 QMCIVCCEJITUAT-UHFFFAOYSA-N 366.421 4.289 0 40 FIAB CC(C)N1CCC(Nc2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 36618610 CHLXHTCKHSYIGB-UHFFFAOYSA-N 364.415 4.447 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)c1ccccc1 38930834 HSPPPBVCZUAJEU-MHWRWJLKSA-N 357.818 4.259 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N(C1CC1)[C@H]1CCc2ccccc21 40155810 GLLCLSLUZSGXBZ-SFHVURJKSA-N 365.857 4.320 0 40 FIAB CN(Cc1ccc(Br)cc1)C(=O)CCCc1cccs1 40159466 BDAOGXNMBANSSV-UHFFFAOYSA-N 352.297 4.492 0 40 FIAB Cc1c([C@@H](C)NC(=O)Nc2ccc(C(=O)N(C)C)cc2)oc2ccccc12 47365905 HMJMLRPCARDAHB-CQSZACIVSA-N 365.433 4.326 0 40 FIAB Brc1ccc2nc(CSc3ncc4ccccn34)cn2c1 49769310 RZCIWROZVOEYDJ-UHFFFAOYSA-N 359.252 4.037 0 40 FIAB C[C@@H]1c2cccn2CCN1C(=O)Nc1ccc(CCN2CCCCC2)cc1 56764427 NTLVWWYCZCZJBD-GOSISDBHSA-N 366.509 4.125 0 40 FIAB COc1ccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)C(C)C)C3)c2)cc1 72353826 CMEIUDYENARWNO-HXUWFJFHSA-N 366.505 4.351 0 40 FIAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 72358464 QUNRFRIVXGZPNZ-IBGZPJMESA-N 373.456 4.172 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccccc1 75359566 ZVSBEWOWEMTBDM-CYBMUJFWSA-N 355.825 4.200 0 40 FIAB Cc1cc(C(=O)N(C)Cc2ccc(Br)o2)c(C)n1C1CC1 75654598 DOSRVTBWSBLJTC-UHFFFAOYSA-N 351.244 4.068 0 40 FIAB C[C@]12CCC(=O)C=C1C[C@@H](C#N)[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 77286127 WNGVOIAMSWIYGK-ISOGPELESA-N 365.473 4.264 0 40 FIAB in-vitro COc1cccc(OC)c1C(=O)N(CCc1cccs1)Cc1ccoc1 90612353 AGPXTCNQEDHTQO-UHFFFAOYSA-N 371.458 4.243 0 40 FIAB O=C(OCc1ccccc1)N1CCCC[C@H]1COC(F)(F)C(F)(F)F 91252514 IQVLWCGOQKTESS-ZDUSSCGKSA-N 367.314 4.349 0 40 FIAB CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 93365842 CIQGSGBMQRSTNR-MRXNPFEDSA-N 355.486 4.007 0 40 FIAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(-c3cccc(F)c3)s2)N1 95938979 FZLHDOSZKRYBFT-KRWDZBQOSA-N 363.421 4.000 0 40 FIAB CC(C)(C)c1ncc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)cn1 95962271 QUTAFNDSJUDFFE-HNNXBMFYSA-N 370.522 4.420 0 40 FIAB CC(C)NC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96147700 DMZYLCGEGWJBGJ-UHFFFAOYSA-N 360.461 4.160 0 40 FIAB CSCC[C@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)O 113404793 KJAVOSTVCXDMHQ-AWEZNQCLSA-N 373.396 4.261 0 40 FIAB CCOc1c(Cl)cc(CNC(=O)C(C)(C)c2cccs2)cc1OC 115036473 OMOAKYXXKFYZKG-UHFFFAOYSA-N 367.898 4.403 0 40 FIAB CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 195645845 RVWBIJVQHWGJMQ-UHFFFAOYSA-N 352.478 4.078 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@@H](c2cccs2)CC1 219530833 TUMDHLRGWNKHEW-MRXNPFEDSA-N 362.476 4.189 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CSc1ccccc1 224650138 ACVQYDFXIIHBPV-SFHVURJKSA-N 371.502 4.286 0 40 FIAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC1CCCCC1 225217520 FOUHEUNBDKSAQV-LJQANCHMSA-N 362.489 4.182 0 40 FIAB Cc1nc2cc(NC(=O)c3ccnc(O[C@H]4CCSC4)c3)ccc2s1 225722705 LNZCCWBSUTUKKY-AWEZNQCLSA-N 371.487 4.136 0 40 FIAB CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(=O)OCC 225792839 HEYDHZKLVKDBBV-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB CC(C)N1CC[C@@H](CCc2ccc(NC(=O)[C@H]3CCCO3)cc2)[C@H](C)C1 247980930 HCJTYJZVXXRLGC-YFVAEKQCSA-N 358.526 4.103 0 40 FIAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 257269732 MRDRISLCYROUJF-SFHVURJKSA-N 369.513 4.329 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@H]1c1ccnc2ncc(-c3ccc(F)cc3)n12 257292336 QLAMFNNIKNPNBA-INIZCTEOSA-N 366.440 4.245 0 40 FIAB Cc1c(C)n(CCC(=O)N2CCCCC[C@@H]3NCC[C@@]32C)c2ccccc12 257323655 WLGSVEJFYUCHAT-GMAHTHKFSA-N 367.537 4.171 0 40 FIAB CC(C)N1CCC(NC(=O)NCc2ccccc2Oc2ccccc2)CC1 514144092 BMUUHXKCSASAQS-UHFFFAOYSA-N 367.493 4.151 0 40 FIAB CC(C)c1ccc(O[C@H](C)CNC2CCN(Cc3ccccn3)CC2)cc1 585082880 FXAWLRUMBCPNGP-LJQANCHMSA-N 367.537 4.227 0 40 FIAB COc1nccc(CNCCc2ccc(Oc3ccc(F)cc3)cc2)c1F 1178280460 DNWXGJZIDUCIMP-UHFFFAOYSA-N 370.399 4.493 0 40 FIAB O=C(NCc1ccc(Sc2ccccc2)cc1)c1ccc2nn[nH]c2c1 1295280959 MLGIKYAGSYUBMT-UHFFFAOYSA-N 360.442 4.039 0 40 FIAB CCn1ccc(CNC(=O)c2ccc(Sc3ccccc3C)cc2)n1 1570356083 YXDNBYQLIKZCRS-UHFFFAOYSA-N 351.475 4.293 0 40 FIAB O=C(O)c1cc(C2CC2)nc2cc(Br)c(Br)cc12 1857793899 ROIRMYZWLLYSDM-UHFFFAOYSA-N 371.028 4.335 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2Cl)o1 882316 IFUNDWDJVVSDFG-TXEJJXNPSA-N 365.886 4.272 0 40 FIAB COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1 984347 NBLGDQOVNUSYKN-SFHVURJKSA-N 373.250 4.155 0 40 FIAB CCc1c(C)sc(NC(=O)Cc2ccc(Cl)cc2)c1C(=O)OC 997707 JJKGEYGEWVPACH-UHFFFAOYSA-N 351.855 4.240 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1346835 MTICZGUOPXITKS-QGZVFWFLSA-N 357.841 4.283 0 40 FIAB CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(C)cc1 2327079 OAUMKTQGRKVSHL-UHFFFAOYSA-N 357.504 4.234 0 40 FIAB O=C(Nc1ccc(Sc2ccccn2)nc1)C(Cl)=C(Cl)Cl 2570350 KNJGVCXGEZXRID-UHFFFAOYSA-N 360.653 4.452 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)CNc3ccc(F)cc3)s2)cc1 2887808 RUOOEQKXDRAGLI-UHFFFAOYSA-N 355.438 4.232 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC1CCCCC1 3228875 SAARWEAQOQWXKY-UHFFFAOYSA-N 353.846 4.191 0 40 FIAB COc1cc(OC)cc(C(=O)N(Cc2ccco2)Cc2cccs2)c1 3328335 JOINTJRNVYLGAZ-UHFFFAOYSA-N 357.431 4.201 0 40 FIAB Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1NC(=O)c1ccco1 3452497 ZTTNBACWMJYPID-UHFFFAOYSA-N 360.413 4.039 0 40 FIAB O=C(c1c(F)cccc1Cl)N1CCN=C1SCc1cccc(F)c1 4119882 MGMXRNXKLGRJKQ-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB COC(=O)[C@H](C)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 4340308 WKSURXISTKTFJA-LBPRGKRZSA-N 372.804 4.362 0 40 FIAB biogenic CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(C)c(C)ccc2s1 4359494 HOCPORRYAMNYSB-UHFFFAOYSA-N 371.506 4.495 0 40 FIAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3cccc(F)c3)nc12 4359675 CFNNSUCAIUTZHT-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn2)CC1 5259451 AGTMUCPKEASPJL-UHFFFAOYSA-N 362.433 4.225 0 40 FIAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N(C)c1ccccc1 5263865 TXVIDCGXRDJLGB-HNNXBMFYSA-N 351.475 4.231 0 40 FIAB CCc1s/c(=N\c2ccc(Cl)cc2Cl)n(C(C)=O)c1OC(C)=O 5375729 HIILCGVTQYXKFU-SDXDJHTJSA-N 373.261 4.237 0 40 FIAB Cc1ccc(-c2ccc(SCC(=O)Nc3nc(C)cs3)nn2)c(C)c1 5411046 YTJAMTPMMHXBMS-UHFFFAOYSA-N 370.503 4.256 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(C2SCCS2)cc1 5584182 DVIYMNLMLUFMRK-CJNGLKHVSA-N 351.537 4.239 0 40 FIAB Cc1cc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)no1 5937345 DURZGFVCCXANTQ-UHFFFAOYSA-N 366.855 4.033 0 40 FIAB CCOCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2ccccc21 6352933 MHARFFFEGOVHFJ-ZZEZOPTASA-N 360.866 4.134 0 40 FIAB Cc1ccc(Cl)c(NC(=O)COC(=O)CCc2ccccc2)c1Cl 6375719 JQQPLWXRPWLKAA-UHFFFAOYSA-N 366.244 4.416 0 40 FIAB CCCn1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 6432006 WBONTXTYKVORFP-UHFFFAOYSA-N 363.461 4.356 0 40 FIAB COc1cc2sc(NC(=O)c3cccnc3Cl)nc2cc1Cl 6441345 OTQZJSLFYKUPQL-UHFFFAOYSA-N 354.218 4.259 0 40 FIAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6478728 OCBODTWOLZKINP-GZTJUZNOSA-N 367.426 4.018 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1F 6596396 CIGYSXSWKBZYRK-KDOFPFPSSA-N 358.413 4.105 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 6884793 KTWBNLGZCFHFKN-BUHFOSPRSA-N 368.392 4.139 0 40 FIAB FC(F)Oc1ccc(NC(=S)N[C@@H]2CCOc3ccccc32)cc1 7143742 DZBARUSIRMGYQH-CQSZACIVSA-N 350.390 4.098 0 40 FIAB COc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1OC 7264633 IIZSGTBJZBXYIH-XBXARRHUSA-N 366.244 4.340 0 40 FIAB Cc1cc2nc(N3CCN(c4cccc(C)c4C)CC3)c3ccccc3n2n1 7737982 SHDVWUZVUOKKQA-UHFFFAOYSA-N 371.488 4.134 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN1CC=C(c2ccccc2)CC1 7987036 QLUWEBVXTQWBPJ-UHFFFAOYSA-N 370.880 4.385 0 40 FIAB O=C(CSc1nnc(NC2CC2)s1)c1cc(Cl)sc1Cl 8039604 JGJICZDOURRYJA-UHFFFAOYSA-N 366.320 4.456 0 40 FIAB COc1ccc(C(=O)OCC(=O)c2sc3ccccc3c2C)cc1OC 8540428 KVQFPWJIEUKECW-UHFFFAOYSA-N 370.426 4.267 0 40 FIAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc21 8782666 VROCHHVRVKILHA-UHFFFAOYSA-N 351.376 4.268 0 40 FIAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1 10674684 UHPCDFGFJUENEU-OAHLLOKOSA-N 355.459 4.278 0 40 FIAB COc1ccc(C(=O)Oc2ccc(/C=C/c3ccccn3)cc2)cc1OC 11858875 PLUPARSLCJHWJA-UXBLZVDNSA-N 361.397 4.488 0 40 FIAB CCCC(=O)N(Cc1ccccc1)Cc1nc(C)ncc1-c1ccccn1 12089182 YEXKWMGVYQCJDU-UHFFFAOYSA-N 360.461 4.176 0 40 FIAB COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@@H]1c1ccsc1 12554403 HFAMPHZJNPBPGL-QGZVFWFLSA-N 372.515 4.248 0 40 FIAB CCC[C@H](O)c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 12627843 DCKMIFKPOMDPAL-FQEVSTJZSA-N 365.477 4.311 0 40 FIAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1c[nH]c2ccccc12 14244120 WDMPCAXFIWZFJB-HXUWFJFHSA-N 362.429 4.079 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)c3ccccc3Br)ccc21 17289120 GMVZTUXLUOYEGW-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB COc1cccc(CN(Cc2ccccn2)Cc2cccc(C)n2)c1OC 19236106 KZZHJVXKWNVYKA-UHFFFAOYSA-N 363.461 4.005 0 40 FIAB Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(-n4cccn4)c3)c2c1 19661106 AREQNNJEFXWWKU-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CN(CC)CC)cc1 20046547 DGMCEVPZRMHHQX-OAQYLSRUSA-N 370.493 4.333 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(Cc1ccccc1Cl)C3 20358198 TYMIPEAAEQLWBX-UHFFFAOYSA-N 367.832 4.287 0 40 FIAB O=C(OCC(=O)N1c2ccccc2CCc2ccccc21)c1cccc(O)c1 22830738 AGZPUBSKKQEUCC-UHFFFAOYSA-N 373.408 4.013 0 40 FIAB CCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 27741247 QCVXQFZRGUKSOG-SFHVURJKSA-N 372.534 4.494 0 40 FIAB C[C@H](NC(=O)[C@H](C)Cn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1 28230001 LOISOIQRKPLVKT-OLZOCXBDSA-N 365.399 4.293 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(CN2CCOCC2)c1 30756191 XCNCKUFCMNVKFZ-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30867156 GUGAKZXLKDQVEZ-FUHWJXTLSA-N 371.477 4.355 0 40 FIAB O=S(=O)(Cc1ccccc1)Oc1ccc2c(-c3ccccc3)noc2c1 32074947 LLZYBUVYNZDVTP-UHFFFAOYSA-N 365.410 4.404 0 40 FIAB CC(=O)c1ccccc1NS(=O)(=O)c1ccccc1-c1ccccc1 32754904 USKJNAUUZUVDEJ-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB CCCC[C@@H](CC)CNC(=O)c1nc(NCc2ccco2)ncc1Cl 32922028 BBUWEWZGVQEMEL-CYBMUJFWSA-N 364.877 4.281 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnn2c(-c3cccs3)ccnc12 32940443 SGOMLFINDQUKPO-CYBMUJFWSA-N 360.442 4.049 0 40 FIAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1OC(F)F 40120069 WQZURWANCKHLIV-SECBINFHSA-N 357.303 4.066 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2cccs2)c(Br)c1 40141245 STYBKIBVNIJARZ-NWDGAFQWSA-N 368.296 4.464 0 40 FIAB O=C(NCc1cccc(Br)c1)c1ccc(C(F)(F)F)cc1 42353417 SYTXIGNABOVQHD-UHFFFAOYSA-N 358.157 4.398 0 40 FIAB CCn1c2ccccc2c2cc(/C=C/C(=O)NCc3cc(C)no3)ccc21 50353838 ZZXJAJGVYFFHQN-PKNBQFBNSA-N 359.429 4.440 0 40 FIAB CCc1ccc(CNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364585 YSQKKOZQWUTOAA-HXUWFJFHSA-N 372.468 4.085 0 40 FIAB CCOc1ccccc1NCC(=O)N1CC[C@H](C)Sc2ccccc21 57688611 IQKQRGXHIMYMOH-HNNXBMFYSA-N 356.491 4.415 0 40 FIAB CCc1sc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1C 58174774 UJMBTGJHVOOHJT-SFHVURJKSA-N 356.535 4.261 0 40 FIAB CCCS(=O)(=O)c1ccccc1C(=O)N(C)C1CCCCCCC1 60303363 HCZDWEGQPKWQNQ-UHFFFAOYSA-N 351.512 4.055 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)cc1 71282160 XJHZUDUEMIPXKM-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)ccc2C)cc1 72238458 DSHRGUWDGMYFCM-HXUWFJFHSA-N 350.462 4.109 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(-c2cc(Cl)c(C)cc2O)n[nH]1 72238541 BFWXBJRRMARWHN-UHFFFAOYSA-N 371.824 4.395 0 40 FIAB Cn1ccnc1-c1cnc(NCc2cccs2)nc1-c1cccs1 72340768 DXZKTVQRMKEUEW-UHFFFAOYSA-N 353.476 4.279 0 40 FIAB c1ccc(OCCCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 72369840 UDJLTHMOZQFLQS-IBGZPJMESA-N 363.461 4.385 0 40 FIAB CCOC(=O)c1csc(NC(=O)c2sc(C)nc2-c2ccccc2)n1 72402373 NOPJTJGZBFSKMT-UHFFFAOYSA-N 373.459 4.004 0 40 FIAB CC(C)(C)OC(=O)N[C@H](c1noc(Cc2c[nH]c3ccccc23)n1)C1CC1 72542764 PUEDKIPEDYBMJB-KRWDZBQOSA-N 368.437 4.118 0 40 FIAB CC(=O)c1ccccc1OCc1ccc(I)cc1 88174664 HJTJONPBARTXRS-UHFFFAOYSA-N 352.171 4.073 0 40 FIAB CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@@H](CO)c1cccc(F)c1 95444560 MYBMNJJXJHMYPD-KRWDZBQOSA-N 373.424 4.499 0 40 FIAB c1ccc2c(c1)-c1ccccc1C2NCc1ccc(Cn2cncn2)cc1 95947350 PGEPUACFRPUMLZ-UHFFFAOYSA-N 352.441 4.186 0 40 FIAB COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 95959442 XJWPOUSGHFEUKQ-MOPGFXCFSA-N 373.456 4.112 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)COc2ccc(Cl)cc2)cc1Cl 96346753 PUIXKOOHYNMBDK-NSHDSACASA-N 354.233 4.199 0 40 FIAB O=C(Nc1ccc(I)cn1)c1ccc2ccccc2c1 96957120 YLKAJWNJWYHPTM-UHFFFAOYSA-N 374.181 4.092 0 40 FIAB C[C@@]12CC3CC(NC(=O)c4cncc(Br)c4)(C1)C[C@@](C)(C3)C2 101212995 CHGKKKWRHLUXHR-ZAXHRSJFSA-N 363.299 4.323 0 40 FIAB O=C(CCc1ccccc1Cl)NCCSCc1ccccc1F 104880637 JIDGAGSXZHIFRY-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 219683306 UWQIFNLIZZWJNG-GFCCVEGCSA-N 364.239 4.254 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 224432235 UYHKSHWZFYYRKU-SFHVURJKSA-N 355.478 4.218 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 224441874 HASJVKLPJIEKIX-SFHVURJKSA-N 361.869 4.255 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=O)C1(c2ccccc2)CCCC1 224607299 YVXWKASVCPFKLI-IBGZPJMESA-N 362.517 4.456 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COC 224682386 KFRKKBFPDCRWFZ-UHFFFAOYSA-N 368.260 4.469 0 40 FIAB CCOCc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OCC 224701106 HHWUGYNKSJFSJH-QGZVFWFLSA-N 355.478 4.373 0 40 FIAB COc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)O)c(OC)c1 225113631 SMZNMGXNJIELJR-INIZCTEOSA-N 352.839 4.145 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NC(C)(C)Cc3ccccc3)cc2)n1 225296157 DTTAZTLXQKUZOD-UHFFFAOYSA-N 361.489 4.299 0 40 FIAB CC(C)Oc1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 225617625 WLQWRUPSARPUBX-UHFFFAOYSA-N 362.267 4.095 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cccc4ccccc34)c2c1 225754677 DBGBUVULIFSZRA-UHFFFAOYSA-N 356.425 4.410 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226039968 SZSVXJFYGFPXQQ-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB Cc1nccc([C@@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257215522 CQNUQYFHCFMLNL-LJQANCHMSA-N 373.456 4.140 0 40 FIAB COc1cc(C)ccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(C)=O 257332578 XXXUHPDJSFDRAK-XSGQZRFPSA-N 357.494 4.022 0 40 FIAB COc1ccc2[nH]c(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)cc2c1 524733765 NTPTZSXZACMOQZ-IBGZPJMESA-N 359.429 4.465 0 40 FIAB Cc1ccnc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc2)n1 538003096 WCPOWIGMRVELMO-RBUKOAKNSA-N 363.392 4.459 0 40 FIAB Cc1cccc2nc(C3CCN(C(=O)c4ccc(Cl)cn4)CC3)oc12 548059685 OOQNIJITIBTYFK-UHFFFAOYSA-N 355.825 4.204 0 40 FIAB COc1ncc([C@@H](C)NC2CCN(c3cccc(F)c3)CC2)cc1Cl 585081426 GGSDZDBSXQQWAN-CYBMUJFWSA-N 363.864 4.202 0 40 FIAB Cc1nc(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)co1 585113660 GACFMXNFZXTFQS-QGZVFWFLSA-N 368.355 4.119 0 40 FIAB O=C(NC[C@@H](c1ccccc1)N1CCc2sccc2C1)[C@@H]1C[C@@H]2C[C@@H]2C1 666537931 HWUKKAHWXBWXAB-NMLBUPMWSA-N 366.530 4.010 0 40 FIAB F[C@H]1CCCN(Cc2cc(Br)cc(Br)c2)C1 1137844732 XBCYLSRSWGOSFR-LBPRGKRZSA-N 351.057 4.146 0 40 FIAB Cc1ccc(OC[C@]2(O)CCCN(C(=O)c3ccccc3Cl)C2)cc1C 2037913202 YWIJIRZHDBVWHV-NRFANRHFSA-N 373.880 4.003 0 40 FIAB COc1ccc([C@H](O)c2c(CN3CCCCC3)c3ccccc3n2C)cc1 633503 JUKLUPWONNDHHO-QHCPKHFHSA-N 364.489 4.255 0 40 FIAB COc1ccc(-n2ncc3c(Nc4ccc(F)c(Cl)c4)ncnc32)cc1 756741 WKUCRCACPJOGPT-UHFFFAOYSA-N 369.787 4.360 0 40 FIAB COc1cccc(-c2csc(NC(=O)COc3cccc(C)c3)n2)c1 937585 YUFIFNAPXUSSBA-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB Cc1c(SC(F)(F)[C@H](F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 1069979 QQSNXCCQBJRRGW-GFCCVEGCSA-N 370.318 4.070 0 40 FIAB COc1cccc(-c2cc(C(=O)n3nc(C)cc3C)c3ccccc3n2)c1 1084395 WAGFOCUNHVVEQM-UHFFFAOYSA-N 357.413 4.412 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](c3ccsc3)C3=C2COC3=O)cc1Cl 1427614 BLLVGLVAYXADIY-ZDUSSCGKSA-N 359.834 4.041 0 40 FIAB Cc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cc1C 1450992 JIDZIOXSFIMJAG-JOCHJYFZSA-N 358.441 4.354 0 40 FIAB Cc1ccc2[nH]c3c(N4CCN(c5cccc(C)c5C)CC4)ncnc3c2c1 2289255 SLMNNXFHPFWHQF-UHFFFAOYSA-N 371.488 4.363 0 40 FIAB CC(C)OC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 2358871 JAVRUKYFOYPQFO-CQSZACIVSA-N 374.444 4.341 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 2620276 UAKSLTLWPXJBRC-UHFFFAOYSA-N 364.376 4.339 0 40 FIAB COc1ccc(Cl)cc1-n1nnc(C(=O)Nc2cccc(C)c2C)c1C 2713266 CBXHGXBPHIMIGF-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 3226715 ZVNSJFQAGZCZAL-OXJNMPFZSA-N 366.461 4.371 0 40 FIAB Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1I 3327513 XBFVFOVPTWKXRR-UHFFFAOYSA-N 373.140 4.130 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCCOc1ccccc1 3395934 YTOOOUGDQKBPJS-BUHFOSPRSA-N 362.429 4.125 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3cccc(OC)c3)sc2C)cc1 3554312 GWDPIQVYXKZZLR-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21 4026175 ZZLUZIDJVCYWKL-SBVJFDTMSA-N 374.521 4.345 0 40 FIAB biogenic COc1cccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)c1 4120059 JLRSTKBSDKOUER-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO 4557123 GGJRAQULURVTAJ-IWFQAGGASA-N 352.515 4.472 0 40 FIAB endogenous,in-man CCC(=O)Nc1ccc(-c2nnc(SCc3ccccc3)n2C)cc1 4691176 KXLFXURTPHJYED-UHFFFAOYSA-N 352.463 4.123 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 4890263 UGKPVFOVNZKPQL-INIZCTEOSA-N 370.522 4.028 0 40 FIAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)n1C 5209797 MDXBNNMWGQYXLM-GFCCVEGCSA-N 373.428 4.432 0 40 FIAB CCc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl 5391280 LTTRGJNBEPGPJY-VIFPVBQESA-N 371.220 4.036 0 40 FIAB CC(C)NC(=O)c1ccccc1-[s+]1c2ccccc2c(=O)n1C(C)C 5438742 ZIABQFUUDBWNJH-UHFFFAOYSA-O 355.483 4.459 0 40 FIAB COC(=O)c1cn(C(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccc12 5924836 SPIGZZOXJCTOKH-UHFFFAOYSA-N 371.820 4.417 0 40 FIAB CCOc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1OCC 6048633 SLNWRGCNMCEFPD-UHFFFAOYSA-N 370.449 4.232 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 6176265 JLFUMUSLSTVAQP-CYBMUJFWSA-N 351.277 4.303 0 40 FIAB C/C=C/C=C/C(=O)OCC(=O)c1ccc(OC(=O)c2ccc(C)cc2)cc1 6185486 PSPSFSZZYRWMGP-VNKDHWASSA-N 364.397 4.072 0 40 FIAB CCOc1ncccc1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 6876228 WDSXABBCIDDJHG-UHFFFAOYSA-N 364.430 4.337 0 40 FIAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7544907 MKVNBIAKPPFMQB-OAHLLOKOSA-N 351.425 4.496 0 40 FIAB Cc1cccc(C)c1OC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 8060674 JKYJLZGJDZDEON-UHFFFAOYSA-N 368.820 4.030 0 40 FIAB Cc1ccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCC2)cc1 8411750 YNNYZCFVKNLDQD-UHFFFAOYSA-N 364.445 4.038 0 40 FIAB Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1cccc(C(F)(F)F)c1 8673270 GKLZBYYOQZDSRJ-UHFFFAOYSA-N 371.322 4.312 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(N2CCCC2=O)c1 8754875 GMWHXIMXTCPCIA-UHFFFAOYSA-N 362.351 4.013 0 40 FIAB COc1ccc([C@H]2C=C(C34CC5CC(CC(C5)C3)C4)NC(=S)N2)cc1 8830136 TUPASQKQKKXVLR-YXSDIZSPSA-N 354.519 4.314 0 40 FIAB C=C1c2ccccc2N=C(S[C@@H](C)C(=O)Nc2cccc(OC)c2)N1C 9683403 QKGDESJTSIIINP-AWEZNQCLSA-N 367.474 4.359 0 40 FIAB CC(C)(C)c1cc(CNCCC(=O)N2CCCC2)cc(C(C)(C)C)c1O 9834653 BAYXBYNJTVFVJB-UHFFFAOYSA-N 360.542 4.089 0 40 FIAB Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3Cl)c2C)n1 10273380 ATSGZURFUKYYGP-UHFFFAOYSA-N 351.797 4.255 0 40 FIAB O=C(NC1(c2ccccc2F)CCCC1)c1cccc(N2CCCC2=O)c1 12197945 XWQYTRVURNZICN-UHFFFAOYSA-N 366.436 4.152 0 40 FIAB Cc1ccc(N2C[C@H](c3nc(-c4ccccc4F)no3)CC2=O)cc1Cl 12414365 QNTUSDNHDJFYEI-GFCCVEGCSA-N 371.799 4.358 0 40 FIAB Cc1nc(COc2cccc(C(=O)NCc3ccc(F)cc3)c2)cs1 12989604 WNTONMFIQHKEQP-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCCCC3)c2n1 13119904 WRRDOKFGKBDPQA-UHFFFAOYSA-N 353.249 4.241 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 13608547 XYTSGIYWLGVAEA-UHFFFAOYSA-N 368.820 4.044 0 40 FIAB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)[C@](C#N)(c3ccccc3)[C@H](C#N)[C@H]2C1 13881985 YOIGSSDLAWGEHW-RWSUSOHTSA-N 356.473 4.336 0 40 FIAB Cc1ccc(C)c(Cn2ccn3nc(-c4ccc(C)c(C)c4)cc3c2=O)c1 16840054 MBMUNGZGWVSAHY-UHFFFAOYSA-N 357.457 4.445 0 40 FIAB COc1ccc(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 19555057 JYHTXBXFQYFOQF-UHFFFAOYSA-N 372.852 4.094 0 40 FIAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4cscn4)C3)cc2c1C 19582685 RKBAYBVGYXOBJQ-OAHLLOKOSA-N 367.474 4.028 0 40 FIAB O=S(=O)(Cc1ccc(F)cc1Cl)c1ccc(Br)cc1 19821984 JOMQADYNXOVRJP-UHFFFAOYSA-N 363.635 4.216 0 40 FIAB CCOc1ccccc1-c1cc(NC(=O)c2noc3c2C[C@H](C)CC3)on1 20190276 VDZCZXPFNLPXNX-GFCCVEGCSA-N 367.405 4.105 0 40 FIAB COc1ccc([C@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1OC 22517296 UTPRLTAVYMPELB-LBPRGKRZSA-N 365.882 4.327 0 40 FIAB O=C(CCC(=O)N1CCC[C@@H]1c1ccncc1)c1ccc2c(c1)CCCC2 26001453 BTDCTOGIKLEVQY-OAQYLSRUSA-N 362.473 4.287 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccccc2n1C 27923885 ULJLVJPXNQVRPW-SNVBAGLBSA-N 364.232 4.286 0 40 FIAB COC(=O)/C=C/c1ccc(OCc2cc(Cl)ccc2OC)c(OC)c1 29302562 UYSIXDMMGQWMPA-WEVVVXLNSA-N 362.809 4.122 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1OC 30754670 HENJRDMAKLLXAW-HOTGVXAUSA-N 373.518 4.322 0 40 FIAB CCOC(=O)c1c(CSc2cc(C)nc(C)n2)nc2ccccc2c1C 32780212 XXZHYSZMNFBDAU-UHFFFAOYSA-N 367.474 4.419 0 40 FIAB Cc1cc(C)c(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1C 32789419 XAPKFOMCSITYCY-UHFFFAOYSA-N 368.502 4.218 0 40 FIAB O=C(NCCCCc1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 32795012 WUYVOKGMVQCNIO-UHFFFAOYSA-N 374.488 4.385 0 40 FIAB COC(=O)c1cccc(Nc2c(-c3ccc(O)cc3)nc3ccccn23)c1 35622033 QQSCAUCMJVTDFZ-UHFFFAOYSA-N 359.385 4.237 0 40 FIAB Cc1nc2c(-c3ccccc3)nc(SCC(=O)NC(C)(C)C)nc2s1 35682722 OIBBWQRPKRNQDL-UHFFFAOYSA-N 372.519 4.069 0 40 FIAB Cc1cc(C)nc(Sc2ccc(NC(=O)Cc3c(C)noc3C)cc2)n1 36654418 VPXZCJKZFQNBOS-UHFFFAOYSA-N 368.462 4.031 0 40 FIAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCCc2ccccc21 38757234 WXXAVLBVOJUEHY-KRWDZBQOSA-N 370.301 4.490 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 40160448 JFBFKRVQYURECG-HOTGVXAUSA-N 367.518 4.495 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccncc2)CC1 48314681 GNBCWXMSTYYAQW-UHFFFAOYSA-N 372.472 4.098 0 40 FIAB Cc1ccc(CNC(=O)C2CCN([C@H](C)c3ccccc3F)CC2)cc1F 51880265 DSEOVZHUVWYSMD-MRXNPFEDSA-N 372.459 4.363 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(CN2CCCC2=O)c1 57985918 PAEBPXYHNPXEOQ-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1C 58421718 QDGAHJHIMVOSMD-GFCCVEGCSA-N 358.492 4.486 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(F)cc3)C2=O)cc1 59419011 ZKGPJVUZWLMDHA-GZTJUZNOSA-N 372.421 4.330 0 40 FIAB Cc1c(NC(=O)c2cnc(C(C)(C)C)s2)cccc1C(=O)N1CCCC1 60303545 MYIYLYUNXJDZGX-UHFFFAOYSA-N 371.506 4.237 0 40 FIAB Cc1ccccc1C1(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CC1 66802810 DCWXYYDKZGNMAW-UHFFFAOYSA-N 372.472 4.260 0 40 FIAB Cc1cnc([C@@H](NC(=O)COc2ccc(Cl)c(C)c2)C2CC2)s1 72296837 WKOXLCWGBSQEEB-INIZCTEOSA-N 350.871 4.060 0 40 FIAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccco3)N1CC2 72342179 XQUWBUQWLDBLNU-YADHBBJMSA-N 362.429 4.369 0 40 FIAB Cc1nc(C(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)co1 72358292 CRKHVOFMZRCRON-HXUWFJFHSA-N 365.408 4.085 0 40 FIAB OC[C@H]1CCCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c12 78679797 DKEUWOULMGCGBP-OAHLLOKOSA-N 351.475 4.197 0 40 FIAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccc(OC)cc1 85397530 NUHBZJNCPFCYGG-UHFFFAOYSA-N 369.442 4.493 0 40 FIAB O=C(CCCc1ccccc1)N1[C@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 85471090 WHDYGSTYSBIMMC-ZRZAMGCNSA-N 362.517 4.275 0 40 FIAB Cc1cc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)on1 95476092 PZYSPOCTJGHMLH-UHFFFAOYSA-N 352.206 4.123 0 40 FIAB CO[C@](C)(CNC(=O)CSCc1ccccc1)c1cccc(Cl)c1 96392536 VTWXTNWTCMWLDF-LJQANCHMSA-N 363.910 4.251 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(C)=O)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 100561584 ZWLSDBYOOPGGSP-VTKNXMALSA-N 372.461 4.081 0 40 FIAB O=C1CC(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccccc1 101150512 YZLBECZVRBBQQL-UHFFFAOYSA-N 365.241 4.048 0 40 FIAB CC(C)OC(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 103282591 CRWGNBZGOGKMLL-PZJWPPBQSA-N 351.446 4.118 0 40 FIAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCc1cccc(C)c1 103721327 SYIWZXSTUWXTNV-WQRHYEAKSA-N 369.442 4.297 0 40 FIAB Cc1cc(Br)cnc1NC(=S)N[C@@H](C)c1ccccc1 223956527 WNEVUMZUQPYQRX-NSHDSACASA-N 350.285 4.200 0 40 FIAB Cc1nc(NC(=S)NCCCc2ccccc2)ccc1Br 223961073 QWWBDLGBXQHADP-UHFFFAOYSA-N 364.312 4.072 0 40 FIAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NC1CCCCC1 225324244 QGHAPRQPGGWTMG-HXUWFJFHSA-N 374.525 4.051 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)c(C)c1 225478623 GQPNPMRUNLNODQ-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB COc1ccc(CCCNC(=S)Nc2ccc(Cl)cc2)cc1OC 225626876 XWIIOKAZKFBYCR-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OCC)ccc1O[C@H](C)CC 225816903 KJEHDWTXFPGDEI-JLTOFOAXSA-N 365.470 4.184 0 40 FIAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)n1 225913362 RCFDRSZQWUQEKM-HNNXBMFYSA-N 364.424 4.467 0 40 FIAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ncccn1 225987224 ICZHRTRHFOBVNA-UHFFFAOYSA-N 360.914 4.319 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2Cc2ncccc2C)n1 257213194 CGNOSOUXWPHLFL-FQEVSTJZSA-N 374.492 4.273 0 40 FIAB Fc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3cncs3)C2)o1 257246242 ITFZQXDPOCPHNB-OAHLLOKOSA-N 357.454 4.241 0 40 FIAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3ncccc3F)C2)nc1 257310744 UGIUOGBFSVHGEX-KRWDZBQOSA-N 366.440 4.267 0 40 FIAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Cl 260786422 XAGDBFWIAPNSND-SSKCKEOISA-N 359.882 4.333 0 40 FIAB O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1occc1COc1ccccc1 680157477 QLESPZIBLXJTBI-MRXNPFEDSA-N 371.339 4.000 0 40 FIAB COc1ccc2cc(CN3CCO[C@H](c4ccccc4)C3)c(Cl)nc2c1 29534591 YMDRKQYRMQGEDK-FQEVSTJZSA-N 368.864 4.470 0 40 FIAB O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccncc1)CCCCCC3 17073850 KUHOUYXIHFJAQA-UHFFFAOYSA-N 357.504 4.223 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3385612 VHOJVTQRTDHDCQ-UONOGXRCSA-N 357.475 4.365 0 40 FIAB COc1cc2c(cc1NS(=O)(=O)c1cccs1)oc1ccccc12 3389451 JBMVCIPFZFMZTC-UHFFFAOYSA-N 359.428 4.457 0 40 FIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3C)nc1-2 3651722 XAURGOACIYWYCN-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB CCOc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl 4201559 GSHVOOKUNBMVQY-UHFFFAOYSA-N 368.216 4.222 0 40 FIAB Cc1cccc(N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)C[C@@H]2C)c1 102767642 KCZAQAHHAUAFPT-ZWKOTPCHSA-N 361.489 4.258 0 40 FIAB Cc1nn(-c2ccc(C(=O)N(C)Cc3ccsc3)cc2)c(C)c1Cl 21935640 SESVUUCSMPKRHW-UHFFFAOYSA-N 359.882 4.476 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H]1CCOc2ccccc21 57974099 VEKQUVATMNMVIQ-HNNXBMFYSA-N 356.472 4.054 0 40 FIAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1 9062285 RYBBDUVSAWNZKA-NYYWCZLTSA-N 355.781 4.051 0 40 FIAB Clc1ccccc1CNCc1cc(Br)c2c(c1)OCO2 22771362 UZIMRFSKIKLQHH-UHFFFAOYSA-N 354.631 4.121 0 40 FIAB O=S1(=O)N=C(Nc2cc(Cl)c(Cl)cc2Cl)c2ccccc21 944400 YVWOWJQPJUUHAB-UHFFFAOYSA-N 361.637 4.208 0 40 FIAB O=C(Nc1ccccc1)c1cccc(Cn2cccc(C(F)(F)F)c2=O)c1 54452825 PFNDNVHZVNDLQM-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB Cc1ccc([C@@H](NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2)cc1 24042204 NVHGQYDLXFEDPR-IBGZPJMESA-N 373.378 4.116 0 40 FIAB COc1ccc(Nc2nnc(SCC[C@@H]3CCCCN3C)s2)cc1 12527672 UEBPCMUWLCMQHV-AWEZNQCLSA-N 364.540 4.257 0 40 FIAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1cccs1)n2CC 12603739 VXKPRBZMCKBFNZ-UHFFFAOYSA-N 374.487 4.269 0 40 FIAB CC(=O)c1c(C)cc(C)c(CN2C(=O)NC3(CCCCCCC3)C2=O)c1C 84075107 NYWSPRPAHMQMGK-UHFFFAOYSA-N 370.493 4.349 0 40 FIAB Cc1ccc(S(=O)(=O)NCC[C@@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 2264359 WQDAGZWGDLOAFT-MJGOQNOKSA-N 367.555 4.141 0 40 FIAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccc1 2256877 NYXQXOKHWYGUDC-UHFFFAOYSA-N 369.424 4.092 0 40 FIAB COc1cccc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1 28237770 XOADWNRTTGOORL-VIFPVBQESA-N 361.751 4.072 0 40 FIAB N=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3F)s2)N1 28511596 WPPUGRHWZWVMPV-QGZVFWFLSA-N 363.421 4.401 0 40 FIAB CC(=O)Nc1cc(NC(=O)/C=C/c2ccccc2OC(F)F)ccc1F 12775531 CVFWCKBAWXBYDT-RMKNXTFCSA-N 364.323 4.037 0 40 FIAB Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c2c1[C@@H](C)CC2=O 11052684 JJBXPSLGPZSLRK-MAUKXSAKSA-N 363.457 4.258 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(OCc3cccnc3)cc2)N1C1CC1 28922963 GHKRLCCWXAXIMR-QFIPXVFZSA-N 371.440 4.390 0 40 FIAB O=C1CCCCC[C@@H]1Sc1nc2ccsc2c(=O)n1-c1ccccc1 12867431 XTQRJNDBRPXVIB-INIZCTEOSA-N 370.499 4.441 0 40 FIAB COc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 12977123 TWCZPVIKMSLYDQ-GOSISDBHSA-N 373.884 4.307 0 40 FIAB CC(C)C(=O)Nc1cccc(CNC(=O)c2cc3c(s2)CCCC3)c1 12906512 FJAWIBZHTRGBFU-UHFFFAOYSA-N 356.491 4.151 0 40 FIAB Cc1ccc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 13000972 SJJXVRGTAKTHGG-UHFFFAOYSA-N 354.431 4.140 0 40 FIAB CCCCN(C)c1ncnc2c1oc1nc(C)c3c(c12)CC(C)(C)OC3 13207213 OHGLAAVWISHKDE-UHFFFAOYSA-N 354.454 4.167 0 40 FIAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 4071353 MSDIYHYRYXRFIU-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB CC[C@H](C)NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 4178036 UHBSRQUXZFSYLJ-UFGOTCBOSA-N 372.416 4.133 0 40 FIAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccn2)c1 13788112 SZZYJGHZMGTQOS-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3ccccc3s2)c1C 6113155 YCDSKVZOXPKSJX-UHFFFAOYSA-N 355.415 4.089 0 40 FIAB Cc1ccccc1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181247 XSMBEYVLRYDSJO-UHFFFAOYSA-N 371.893 4.221 0 40 FIAB Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1C[C@@H]1CCCO1 6314940 WFOQUMSMZJAUFC-HNNXBMFYSA-N 369.490 4.135 0 40 FIAB Cc1ccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 4463958 MRSDMUHNIQRRJA-DEOSSOPVSA-N 370.452 4.185 0 40 FIAB CC(C)n1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c2ccccc21 79189131 DYZYWLXCIRNQDI-FXAWDEMLSA-N 353.510 4.217 0 40 FIAB biogenic COc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccs3)C2)c1 6470557 RAQHOUVBKPSFRM-INIZCTEOSA-N 352.415 4.341 0 40 FIAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1F 27494195 YZADJTUTVBAGCJ-HXUWFJFHSA-N 362.404 4.326 0 40 FIAB Cc1ccc2c(c1)[C@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2C 5453788 QJHMUFMZVLWQHG-HSZRJFAPSA-N 366.424 4.115 0 40 FIAB Cc1cccc(-c2ccc(C(=O)N(C)C[C@H](C)c3ccccc3)c(=O)[nH]2)c1 66458558 SFMZVAFYTWEULR-KRWDZBQOSA-N 360.457 4.226 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3F)o2)cc1 5863400 OYUBPIXPMQUCPT-LBPRGKRZSA-N 357.410 4.303 0 40 FIAB Nn1c(SCc2ccccc2Oc2ccccc2)nnc1C(F)(F)F 5993298 YTWUYGDBFVJZFI-UHFFFAOYSA-N 366.368 4.095 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1F 7077821 BLCHCDQLDGHLHC-HNNXBMFYSA-N 357.425 4.291 0 40 FIAB Cc1cc2oc(C(=O)Nc3ccc4nsnc4c3)cc(=O)c2cc1Cl 15841384 OEDBEADVTMMZCI-UHFFFAOYSA-N 371.805 4.012 0 40 FIAB Cc1csc(CCCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)n1 69370139 QEHSDOPEGLXQBF-CYBMUJFWSA-N 352.887 4.011 0 40 FIAB Cn1ccc([C@H](NC(=O)Nc2ccc(-c3ncco3)cc2)C(F)(F)F)c1 95452782 NICMQBLKDPEORD-AWEZNQCLSA-N 364.327 4.105 0 40 FIAB O=C1NC2(CCCCCCC2)C(=O)N1CCOc1ccc2ccccc2c1 89878779 QYFYXAHRWDRXME-UHFFFAOYSA-N 366.461 4.254 0 40 FIAB C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccccc1 219449777 HTPNURIDEJMUKV-MRXNPFEDSA-N 358.441 4.458 0 40 FIAB COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C)ccc1OC(C)C 219064860 MPHWYMOKEFMFBJ-QGZVFWFLSA-N 371.477 4.183 0 40 FIAB CC1(C)C[C@@H](NC(=O)Nc2ncn(C3CCCCC3)n2)c2ccccc2O1 184509317 LKKIDEQKQPXSCS-MRXNPFEDSA-N 369.469 4.207 0 40 FIAB O=C(N[C@H](C(=O)O)c1ccc(Cl)c(F)c1)c1csc2ccccc12 540669165 ZQHDXZNSWJFHFT-HNNXBMFYSA-N 363.797 4.250 0 40 FIAB COc1ccc(NC(=O)c2csc(Nc3ccccn3)n2)cc1Cl 62022543 GIYRUFONMFTUSD-UHFFFAOYSA-N 360.826 4.196 0 40 FIAB COc1cccc(-c2cncc(C3CCN(C(=O)C4CCCC4)CC3)n2)c1 72359645 OXITYLOUOQLROE-UHFFFAOYSA-N 365.477 4.048 0 40 FIAB CC(C)c1c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cnn1-c1ccccn1 32914105 RZEYZGTUXRHOFH-ZDUSSCGKSA-N 370.403 4.160 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC)c1ccccc1 223412080 SALATELWDNSPGM-FQEVSTJZSA-N 372.896 4.346 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(Cl)cc1 224621690 ZRQPTWCILALXPY-KRWDZBQOSA-N 368.260 4.346 0 40 FIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1cccnc1 223447987 MAJNTTFWPJAIJT-DLBZAZTESA-N 366.515 4.019 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc(OC)c(Cl)c2)cc1OCC 222714150 QHJBAJNBYDUKNF-UHFFFAOYSA-N 363.841 4.076 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCCOc2ccccc2Cl)cc1 224339313 LRUOJBOJIWRQDT-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccco1 226287598 UHJAJUVAHDNWFM-UHFFFAOYSA-N 352.777 4.346 0 40 FIAB Fc1ccc(CNC(=S)Nc2ncc(Br)cc2Cl)cc1 223945575 UZIZILQXWNGASO-UHFFFAOYSA-N 374.666 4.123 0 40 FIAB Cc1ccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1C 224991793 KQMBUXLRAVYABS-UHFFFAOYSA-N 361.869 4.309 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C1CC1 222819728 GPVGAFDUDTZQGN-MOPGFXCFSA-N 354.523 4.216 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SCC(C)C)s1 225692135 KJDRGZVMVGITGL-AWEZNQCLSA-N 365.524 4.391 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 222794480 AZFJQYHAAHZOGV-MOPGFXCFSA-N 354.523 4.381 0 40 FIAB O=C(NCCN1CCC(c2cccs2)CC1)Nc1ccccc1Cl 77104363 MFLRFEGSPJXMGS-UHFFFAOYSA-N 363.914 4.403 0 40 FIAB COC(=O)c1ccc(OC)c(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225668593 YRJJDLJKFICDFP-UHFFFAOYSA-N 371.433 4.175 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSc3ccccc3)cc2)n1 148596430 GBQVAVPHTYXHMH-UHFFFAOYSA-N 365.502 4.070 0 40 FIAB CCn1nc(C)c(CC(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)c1C 585085637 JJGAOIQSTJYTLK-AWEZNQCLSA-N 369.465 4.003 0 40 FIAB Cc1ccc(-c2noc(-c3cccc(NC(=O)c4cnco4)c3)n2)s1 1775976927 RSIHJASHEMSEKM-UHFFFAOYSA-N 352.375 4.014 0 40 FIAB Cc1cc(C)c2c(CN3CCN(c4ccccc4)CC3)cc(=O)oc2c1C 54106016 NAPOVBHJORHVOE-UHFFFAOYSA-N 362.473 4.040 0 40 FIAB biogenic NC(=O)c1cc(NC(=O)C2(Cc3cccc(F)c3)CCCCC2)ccc1F 673527906 LMOSYYOQQUHIMV-UHFFFAOYSA-N 372.415 4.195 0 40 FIAB O=C(N[C@H]1COc2cc(F)cc(F)c21)c1occc1COc1ccccc1 680157472 QLESPZIBLXJTBI-INIZCTEOSA-N 371.339 4.000 0 40 FIAB O[C@@H]1[C@@H](NCc2ccc(Cl)cc2)CCC[C@H]1Oc1cccc(Cl)c1 585289715 VXQIQQQJZWGAEH-IPMKNSEASA-N 366.288 4.444 0 40 FIAB Cc1cc(NC(=O)CCN(C)[C@H](c2ccccc2)c2ccc(F)cc2)no1 55102523 FUJKWEFCYFAJOL-OAQYLSRUSA-N 367.424 4.172 0 40 FIAB CSc1nc2nc(C)c(Cc3cccc(C(F)(F)F)c3)c(C)n2n1 5749067 BKQAQAVMAYOMJS-UHFFFAOYSA-N 352.385 4.073 0 40 FIAB O=C(Cc1ccc(F)cc1)NCCSc1ccc(Br)cc1 12893678 BEMBRJUPTIMIAB-UHFFFAOYSA-N 368.271 4.039 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2C)c1 13710545 MBHUIIHCBQCFRH-SFHVURJKSA-N 357.519 4.429 0 40 FIAB COc1ccc(NC(=S)Nc2ccc(OC)c(OC)c2)cc1Cl 13935140 LFKZULDSZRRRGJ-UHFFFAOYSA-N 352.843 4.175 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)cc1 19135232 CMRPHNIEELQCLP-MRXNPFEDSA-N 367.474 4.435 0 40 FIAB O=C(CC1CCCCC1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19406794 WKBMRQMWLFQLRO-UHFFFAOYSA-N 359.495 4.475 0 40 FIAB Cc1c(-c2csc(NC(=O)[C@H](C)n3ccnc3)n2)c2ccccc2n1C 19581835 ICQLSCRIKXLPJL-ZDUSSCGKSA-N 365.462 4.006 0 40 FIAB Cc1nn2c(NCCCN(C)C)c3c(nc2c1-c1cccs1)CCCC3 19582102 ZEFJVTXUQFHOOK-UHFFFAOYSA-N 369.538 4.009 0 40 FIAB Cc1nc2ccc(F)cc2cc1C(=O)NCCCOc1ccccc1F 19718114 SONZKGWLXZYRAO-UHFFFAOYSA-N 356.372 4.020 0 40 FIAB Brc1ccc2nc(CSc3nc4ccccc4[nH]3)cn2c1 4864567 ZUZAYRBMWKDBJR-UHFFFAOYSA-N 359.252 4.265 0 40 FIAB C[C@H](O)CNc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 22705905 NVGBVQUXHOEYJZ-NSHDSACASA-N 350.249 4.184 0 40 FIAB Cc1nc2ccc(F)cc2c(I)c1Br 2032923032 DWOQDDUERCXDLS-UHFFFAOYSA-N 365.971 4.049 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2cccs2)c1 4854585 HSSFWKZLGJHEFG-SFHVURJKSA-N 353.447 4.195 0 40 FIAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(Cl)cc4)c3C)n2)cc1 7006581 UCKAQHOEDWKLRB-UHFFFAOYSA-N 351.797 4.255 0 40 FIAB CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccccc2)n1 15880939 MSSVBKXQIMJMKA-UHFFFAOYSA-N 365.458 4.139 0 40 FIAB Cc1nc(-c2ccc(CC(=O)Nc3ccc4c(c3)OCCO4)cc2)cs1 40073284 PQBLKLQVIAYGDR-UHFFFAOYSA-N 366.442 4.071 0 40 FIAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(C(F)(F)F)c1 100087329 SPAOMHHTUFRJOR-KQWNVCNZSA-N 366.726 4.436 0 40 FIAB COc1ccc(F)cc1-c1csc(NC(=O)c2ccnc(Cl)c2)n1 40111300 BFCMRJAZQUKDOK-UHFFFAOYSA-N 363.801 4.259 0 40 FIAB CCn1nc(C(C)C)cc1C(=O)NCc1csc(-c2ccccc2)n1 31783032 ROTALEIQAKYGCJ-UHFFFAOYSA-N 354.479 4.080 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccccc1 907545 BIUXFPJFGAUNOM-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB CCc1cccc2c(C(=O)COC(=O)/C=C/c3ccccc3OC)c[nH]c12 2661306 BDYUVPINZNJVND-VAWYXSNFSA-N 363.413 4.178 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccc(F)cc2s1 2653125 SNDJEGSOVVPMTA-UHFFFAOYSA-N 350.802 4.415 0 40 FIAB CC(C)c1nnc(SCc2noc(C(C)(C)C)n2)n1Cc1ccco1 32765247 DIWJOQGRNNPKOV-UHFFFAOYSA-N 361.471 4.016 0 40 FIAB Cc1ccc(-n2nc(C)c(NS(=O)(=O)c3ccc(C)c(C)c3)c2C)cc1 32754975 LPBSLKXJFXDNNQ-UHFFFAOYSA-N 369.490 4.215 0 40 FIAB CN(C(=O)COC(=O)c1cccc(Oc2ccccc2)c1)c1ccccc1 3393293 BLIBKXAJGHUKSX-UHFFFAOYSA-N 361.397 4.299 0 40 FIAB Cc1ccc(Cl)c2sc(NC(=O)[C@H]3COc4ccccc4O3)nc12 4331453 AJINNJMOEOZJEO-CYBMUJFWSA-N 360.822 4.037 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2F)c(Br)c1 6127359 UVVOGWOHVYSSRL-LLVKDONJSA-N 352.203 4.303 0 40 FIAB Cc1cc(OCn2ccc(C(=O)Nc3ccccc3F)n2)ccc1Cl 2796549 QIBPGZCQQQKGNT-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccccc3)cc21 8959470 AWACPYHZEXHNHC-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB Cc1cc2nnc(SCC(=O)OC3CCCCC3)n2c2ccccc12 977042 YHIGIQMJKSHVCV-UHFFFAOYSA-N 355.463 4.159 0 40 FIAB Cc1nc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n(CC(C)C)c1C 12547477 LYAVGUJPSJDNTA-CQSZACIVSA-N 356.495 4.246 0 40 FIAB CC[C@@H](C)n1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O 24837931 NWGJQDKCHRZTLK-GFCCVEGCSA-N 358.467 4.166 0 40 FIAB COCc1ccccc1CNC(=O)NC(c1ccccc1)c1ccccc1 26390056 UAPXVXLGPSBIGA-UHFFFAOYSA-N 360.457 4.422 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc2ncsc2c1 3384958 GABIEGACSOUJOV-UHFFFAOYSA-N 368.458 4.217 0 40 FIAB CN(Cc1ccccc1)C(=O)CN(C)C(c1ccccc1)c1ccccc1 57911419 WLMZZIJLBUUCEO-UHFFFAOYSA-N 358.485 4.366 0 40 FIAB C[C@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 10035567 YUTFJUOPHYREMP-OAHLLOKOSA-N 363.436 4.333 0 40 FIAB COc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CC2)cc1 48280051 HUBVRBHSBMKPQV-UHFFFAOYSA-N 361.239 4.269 0 40 FIAB CCc1cc(C(=O)OCc2nnc(-c3ccc(OC)cc3)o2)sc1C 28075760 UESAJDXMGYRFCR-UHFFFAOYSA-N 358.419 4.035 0 40 FIAB Cc1cc(C(=O)NCc2ccccc2)c2c(C)nn(Cc3ccccc3)c2n1 36616626 ABEJHZPAXRNLHL-UHFFFAOYSA-N 370.456 4.026 0 40 FIAB S=C1N(c2ccccc2)CN(Cc2cccnc2)CN1c1ccccc1 22276915 XTQADYTTWBHCDP-UHFFFAOYSA-N 360.486 4.110 0 40 FIAB O=C(CCCSc1nc(/C=C/c2ccco2)n[nH]1)c1ccc(F)cc1 12894574 AJQLADMXFIXYBQ-MDZDMXLPSA-N 357.410 4.462 0 40 FIAB CC[C@@H](C)c1ccc([C@@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12971946 YZIYRYZCMQGJML-BFUOFWGJSA-N 364.478 4.296 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20143763 GBWRWTZQZRUDMI-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB COc1cc(NC(=S)Nc2c(C)cccc2C)ccc1N1CCOC1=O 63438426 BGHVDGCIECHGER-UHFFFAOYSA-N 371.462 4.078 0 40 FIAB O=c1c2cc(OCc3ccccc3Cl)ccc2nc2n1CCCCC2 13685442 XHULVVIGQWTLJZ-UHFFFAOYSA-N 354.837 4.355 0 40 FIAB C[C@@H](Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)C(=O)c1ccccc1 4545010 RKMNXEXQJCRQJZ-OAHLLOKOSA-N 371.392 4.137 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1Br 14241242 XGANZJDBIDLTNG-UHFFFAOYSA-N 361.283 4.136 0 40 FIAB Cc1cc(C(=O)CSc2nncs2)c(C)n1CCc1cccs1 5429657 FKNLQXOMQQLSGO-UHFFFAOYSA-N 363.533 4.236 0 40 FIAB COc1ccc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cn1 14797362 GSPWBRHHDFAOEY-UHFFFAOYSA-N 361.760 4.098 0 40 FIAB O=C(c1ccccc1Br)N(Cc1ccco1)Cc1ccco1 6747337 ALAUUCPLCWIJDJ-UHFFFAOYSA-N 360.207 4.478 0 40 FIAB CCCn1c([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 6753165 RODFIOVXGYAWOU-MRXNPFEDSA-N 363.461 4.366 0 40 FIAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1 5980784 ZZYGAFLNHRPMMG-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 7801867 CFYZTKXFXATHJC-UHFFFAOYSA-N 368.502 4.044 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(N2CCCC2=O)c1 8231418 GQSROKFVGWLPJW-UHFFFAOYSA-N 361.445 4.256 0 40 FIAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)O 9435154 CUEHZWIHVOULOR-YJBOKZPZSA-N 352.434 4.220 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2CN2CCSCC2)o1 72049408 LSSFGGPGKXENSX-OAHLLOKOSA-N 359.495 4.020 0 40 FIAB COc1cccc(-n2cnc3c2[C@H](c2cccc(O)c2)SCC(O)=N3)c1 95478962 SNSGFMRAXOGQLT-SFHVURJKSA-N 367.430 4.011 0 40 FIAB CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211303 RRHMZWHTMOXFER-UHFFFAOYSA-N 372.428 4.406 0 40 FIAB CCCCSC1=NC(C)=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)N1 408992064 RWLAHEOALIMYHS-AWEZNQCLSA-N 372.321 4.286 0 40 FIAB CC1CCN(Cc2csc(NC(=O)CCCc3ccc(O)cc3)n2)CC1 75109330 ZBKZHHXHQCJMCM-UHFFFAOYSA-N 373.522 4.042 0 40 FIAB Cc1ccc(F)c(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c1 75106940 OGOLGPXSVUMRFA-UHFFFAOYSA-N 359.426 4.079 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 20108016 SJNXPGFUOPSQIJ-CYBMUJFWSA-N 361.463 4.222 0 40 FIAB CC1CCN(Cc2ccc(CNC(=O)N(C)Cc3ccsc3)cc2)CC1 26381602 DEWISMPDYGRAKB-UHFFFAOYSA-N 371.550 4.322 0 40 FIAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)c1 408615273 OHBQHHIQVSHVLN-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1C 408657065 IIXGOUSELCQHCO-SFHVURJKSA-N 359.425 4.415 0 40 FIAB Cc1cccc(CSCCNC(=O)COc2ccc(Cl)c(C)c2)c1 218936682 PELSFRMIRHNFTN-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB COCCCNC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 517162690 IXDXEJVPHMFKOI-UHFFFAOYSA-N 369.343 4.051 0 40 FIAB CCCCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 3847040 WKQATVGGNQRUBU-UHFFFAOYSA-N 352.481 4.080 0 40 FIAB biogenic Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219069825 YHMLDGBZJJYTNF-FUHWJXTLSA-N 353.462 4.489 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc(OC(C)C)cc2)cc1OCC 218983693 VRIAAZJQMRVNFP-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB COc1cc(C)c(CN2CCC([C@H]3CCCCN(C)C3=O)CC2)c(C)c1C 72372024 NIXFRSWNPYOUKK-HXUWFJFHSA-N 372.553 4.091 0 40 FIAB C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CC(=O)N2 47155233 TWOXUNLRUUKGFQ-JTQLQIEISA-N 363.339 4.083 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NC2CCCCCCC2)cc1OC 44841748 XDDSCNSEXNWOTO-AWEZNQCLSA-N 351.512 4.414 0 40 FIAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(Cc3ccccc3)C2)n1 72345886 CBEJFFSYBMPZGS-SFHVURJKSA-N 362.452 4.245 0 40 FIAB CCCCN1CC=C(c2nn3c(-c4ccc(C)cc4)nnc3s2)CC1 226250784 MIMJNWZLCZIFOF-UHFFFAOYSA-N 353.495 4.050 0 40 FIAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@H]12 85210628 SNNJOYYRZHOKFM-QBFOWDOUSA-N 358.522 4.489 0 40 FIAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccccc1Cl)C2 225489444 WEBMHMUJWVWRKZ-KRWDZBQOSA-N 356.853 4.380 0 40 FIAB biogenic,in-vitro Cc1nn2c(ncc3c(=O)n(C4CCCC4)ccc32)c1-c1ccc(F)cc1 40396930 RUOOXCPMCHQYFX-UHFFFAOYSA-N 362.408 4.274 0 40 FIAB CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224725146 AUMWQUHHQMYBJZ-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB CCCc1ccc(OCc2nnc(NC(=O)c3cccs3)s2)cc1 41108721 QQDSSOBAVNUCSL-UHFFFAOYSA-N 359.476 4.383 0 40 FIAB Cc1cc(C)c(N(C)S(=O)(=O)c2ccc(Br)cc2)c(C)c1 224734952 KTWRNTLDCMVEKB-UHFFFAOYSA-N 368.296 4.199 0 40 FIAB COc1ccc(-c2nc(N)cc(Nc3ccccc3Cl)n2)cc1OC 49468224 UEXKVXZKBMRCSH-UHFFFAOYSA-N 356.813 4.140 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1OCC 225631454 ROVIGGQOXSVWBS-UHFFFAOYSA-N 353.462 4.293 0 40 FIAB CC(C)Oc1cccc(CNC(=O)Cc2cccc(Br)c2)c1 225620059 JIEYDONACWKWKQ-UHFFFAOYSA-N 362.267 4.095 0 40 FIAB Cn1cncc1CN[C@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 96241507 GHIXRQLLNGPFOV-QHCPKHFHSA-N 372.516 4.193 0 40 FIAB CCc1nc(-c2noc3ccc(C(=O)NCc4cccs4)cc23)co1 96154397 ONYPZLDVMWPKFL-UHFFFAOYSA-N 353.403 4.037 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2cccc(C)c2)c1 245380150 SHWKPSRQAGMRCR-ZCLUNYJNSA-N 360.457 4.319 0 40 FIAB Cc1cc(C)n2c(CN(CCc3ccc(F)cc3)CC(C)C)cnc2n1 1658536885 XYDXRDBGSWJQJK-UHFFFAOYSA-N 354.473 4.186 0 40 FIAB CC(C)Cn1ncc(NC(=O)NC[C@@H]2CCC3(CCCC3)O2)c1C(C)C 654025741 NCUMIMDAJITEPV-INIZCTEOSA-N 362.518 4.276 0 40 FIAB COc1ccc([C@@H](N[C@@H]2CCCn3ccnc32)c2ccccc2OC)cc1 655736721 HAVHEBXYNVIEMD-TZIWHRDSSA-N 363.461 4.114 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(CSCc2ccco2)CC1 90608408 SANPRABNKZGWGD-UHFFFAOYSA-N 374.462 4.186 0 40 FIAB C=CC(=O)N1CCC[C@H](c2cc3ccccc3c(Nc3nccs3)n2)C1 585290549 CKCOERLRNGCQBN-HNNXBMFYSA-N 364.474 4.327 0 40 FIAB O=C(NC[C@](O)(c1cccs1)C1CC1)C1(c2cccs2)CCCC1 75155321 OTMZHVNOTCHCOT-LJQANCHMSA-N 361.532 4.035 0 40 FIAB Clc1cc(CSc2nc(Cc3cccs3)n[nH]2)cc2c1OCO2 84442235 DLCNJNBPYYBSJG-UHFFFAOYSA-N 365.867 4.131 0 40 FIAB Cc1cc(I)ccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 103521056 VMSFOQJSTHLYQG-AVGNSLFASA-N 369.246 4.364 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 5794560 GHHLYRIXHLDNJQ-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 13684675 FSDYTGGCRIJAAN-UHFFFAOYSA-N 354.450 4.114 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 13710502 IYBSZHAWNSUJDZ-SFHVURJKSA-N 357.519 4.429 0 40 FIAB CC(=O)c1cnc(Nc2nc(-c3ccccc3)c3ccccc3n2)nc1C 14607460 QTUWTBSJALFANM-UHFFFAOYSA-N 355.401 4.341 0 40 FIAB CCCc1ccc(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1 10818336 BCGXECGNIQWWHO-UHFFFAOYSA-N 368.506 4.294 0 40 FIAB CCCc1n[nH]c(=S)n1CC(=O)NC1CCC(C(C)(C)CC)CC1 26041993 KLYATMFDIIXJDZ-UHFFFAOYSA-N 352.548 4.004 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 100557675 SPWCGBXUJYRIPO-QZTJIDSGSA-N 357.450 4.242 0 40 FIAB O=C(Cc1ccc(F)cc1)N1CCN=C1SCc1ccccc1Cl 4120284 XZCUHBLALUQBDR-UHFFFAOYSA-N 362.857 4.153 0 40 FIAB Cc1ccc2c(c1)NC(SCc1cccc(Cl)c1)=NS2(=O)=O 6918627 PNQVJWFICKHCLF-UHFFFAOYSA-N 352.868 4.052 0 40 FIAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2c1oc1ccccc12 24821994 QEBQYWPJQXNEDZ-CYBMUJFWSA-N 351.431 4.068 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)cc1 1517329 XROMGDHSPBFYRQ-GOSISDBHSA-N 373.250 4.155 0 40 FIAB O=C(NC1CCCC1)c1ccc(COc2ccc(Br)cc2)o1 40140218 APUWKXBUAUWARZ-UHFFFAOYSA-N 364.239 4.294 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1cccc(C(=O)N(C)C)c1 40104517 TZHSXKAJESEYGO-UHFFFAOYSA-N 365.886 4.157 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)cc1 31743289 LYJJFIYDLSDNAI-SNVBAGLBSA-N 368.380 4.422 0 40 FIAB CC(=O)c1c(F)cccc1NCc1ccc(NC(=O)c2ccco2)cc1 11607782 CPMNGGXLGZIIEV-UHFFFAOYSA-N 352.365 4.486 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)N[C@H](c2cccs2)C2CCCC2)c1C 32397295 PWKYNPBTWTYKRY-KRWDZBQOSA-N 360.479 4.141 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2)cc1 1101596 JGRPNBITEKGKEB-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 21509926 UNXBHAQSFFISBN-CQSZACIVSA-N 366.392 4.002 0 40 FIAB CCn1c(SCC(=O)OC2CCCCC2)nnc1C1CCCCC1 4130226 QOWGQFSHEWWLFJ-UHFFFAOYSA-N 351.516 4.314 0 40 FIAB Cc1noc(C)c1CN(C(=S)NCc1ccccc1)c1ccccc1 2645359 WDZNMINAXGAERF-UHFFFAOYSA-N 351.475 4.373 0 40 FIAB CSc1ncccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 2645784 BQSKGPDHFYEWNM-UHFFFAOYSA-N 363.414 4.458 0 40 FIAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCc2ccccc21 6846277 NUKUTMMTUOMWHQ-UHFFFAOYSA-N 365.458 4.182 0 40 FIAB S=C(NCc1ccc(CN2CCCC2)cc1)Nc1ccc(Cl)cc1 7009253 WIFZKBUNYMZDLC-UHFFFAOYSA-N 359.926 4.422 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 7928135 UVKVILPWFOUKJG-CQSZACIVSA-N 372.852 4.039 0 40 FIAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@@H](c2ccccc2Cl)CC3=O)n1 10157191 ZKFVNVOAISQFBT-CQSZACIVSA-N 366.852 4.154 0 40 FIAB Cc1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)cc1 8237932 ZSIOVIMSHGRUSL-UHFFFAOYSA-N 368.658 4.220 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCCOc2ccc(C)cc2)c1 8355266 WMGUJZZGHDENSZ-MRXNPFEDSA-N 357.450 4.049 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)c1ccccn1 11914838 POWGJLKAPURJTG-UHFFFAOYSA-N 374.371 4.174 0 40 FIAB CN(C)c1ccc(NC(=O)CCCCc2nc3ccccc3s2)cn1 22419521 RSHSOHVTQWTIRR-UHFFFAOYSA-N 354.479 4.109 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)N1CCC[C@H]1c1ccncc1 23055206 ISLKYAZNTBDQAK-HNNXBMFYSA-N 351.233 4.131 0 40 FIAB CCOc1ccc(C(=O)C[C@H](C(=O)OC)c2c[nH]c3ccccc23)cc1 3107923 ZSWBDPFQELWOND-KRWDZBQOSA-N 351.402 4.096 0 40 FIAB Cc1cccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1 12554909 CGKXSMBPAXYQRK-UHFFFAOYSA-N 351.494 4.056 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 24976364 QYPHGIBPCWHCKT-BLMXZKBBSA-N 362.558 4.039 0 40 FIAB Cc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1C 12562663 PPBFXZGETJODRS-DYESRHJHSA-N 350.462 4.357 0 40 FIAB O=C(OCc1nc2ccccc2s1)c1cccc(OC[C@H]2CCCO2)c1 26364866 LVWSGZXWOBRGNR-MRXNPFEDSA-N 369.442 4.211 0 40 FIAB CCOc1ccc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)cc1 28238572 UKIGKBOHPCATAP-UHFFFAOYSA-N 367.371 4.207 0 40 FIAB O=C(NCc1ccc2c(c1)OCCO2)c1ccccc1Nc1ccccc1 12517172 RPRIRBSHTFOCGH-UHFFFAOYSA-N 360.413 4.131 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718301 KEOMUGFVIOFIFB-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 28784929 LLHPFOQEIAEEKL-ZDUSSCGKSA-N 361.825 4.015 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1Cl)NCCC1=CCCCC1 3275753 GAQYECJKIJWTNI-UHFFFAOYSA-N 356.249 4.157 0 40 FIAB COc1ccc(C(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)cc1 100265392 PIEZPTYAEXKRLG-XOBRGWDASA-N 369.490 4.030 0 40 FIAB O=C(CNC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl 58165206 JUVFLSUDMVJPFH-UHFFFAOYSA-N 364.876 4.335 0 40 FIAB CCCCCCSc1nnc2c(n1)O[C@H](C)N(C(C)=O)c1ccccc1-2 2104323 QDMAPMLSMWYAFI-CQSZACIVSA-N 372.494 4.302 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 20048573 DHEOWJBTQZPHQC-YLJYHZDGSA-N 371.477 4.053 0 40 FIAB CCCCCCn1c(N)c(C(=O)N[C@@H](C)CC)c2nc3ccccc3nc21 2367704 LEOVMQSTUDQXAY-AWEZNQCLSA-N 367.497 4.275 0 40 FIAB COc1cc(NC(=O)CSc2ccc(F)c(F)c2)c(OC)cc1Cl 10983291 HFCPTVTUEOSXEI-UHFFFAOYSA-N 373.808 4.366 0 40 FIAB O=C(NCCc1cn2ccccc2n1)N1CCC[C@@H]1c1ccc(Cl)cc1 45426242 HDVKRJVTPPLWBO-GOSISDBHSA-N 368.868 4.077 0 40 FIAB CCCCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O 2415978 VEJMIUVNVBZJBO-UHFFFAOYSA-N 365.481 4.423 0 40 FIAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccsc2)cc1Cl 48374353 YQXNTBAYOPXCOJ-OAHLLOKOSA-N 350.871 4.186 0 40 FIAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1Cl 12885611 AYEJYVPJUGQUBT-UHFFFAOYSA-N 363.244 4.050 0 40 FIAB CC(C)NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 3529205 QPHPOYHOJCGMGD-UHFFFAOYSA-N 367.883 4.221 0 40 FIAB Cc1cccc(C(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)n1 12908860 VQNINLWONUSPJO-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB O=C(NCc1ccc(O)cc1)c1cccc(-n2nccc2-c2ccccc2)c1 63092098 GRIBMOIBQNTUEA-UHFFFAOYSA-N 369.424 4.175 0 40 FIAB COc1ccc(CCNC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1 17154409 AXOBEQFIZVVQED-UHFFFAOYSA-N 365.454 4.289 0 40 FIAB O=c1[nH]c2sc(-c3ccccc3)cc2c(=O)n1-c1cccc(Cl)c1 13548538 OKKNEWPWJUYISU-UHFFFAOYSA-N 354.818 4.061 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c(F)c1 64335247 JITQXFQLOCEHKG-JTQLQIEISA-N 362.455 4.316 0 40 FIAB Cc1ccc(C)c(-n2nnnc2S[C@H](C)C(=O)c2ccc(C)c(C)c2)c1 6098762 LNHDAGFUJXMOKJ-MRXNPFEDSA-N 366.490 4.259 0 40 FIAB CC(C)(CNC(=O)c1cccc2c3c([nH]c12)CCCC3)N1CCCCC1 69568932 UVQKZFIVHHEUHL-UHFFFAOYSA-N 353.510 4.041 0 40 FIAB COc1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)cc1 5111254 FFLQAOZORBXDHF-UHFFFAOYSA-N 372.453 4.465 0 40 FIAB CCC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 6505236 AJHNCLYSNXRGNI-UHFFFAOYSA-N 353.447 4.195 0 40 FIAB aggregator Cc1ccc(C)c(C(=O)Nc2ccccc2I)c1 6602358 CDFOIUFHORYRQH-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB C[C@H](c1ccccc1)n1c(CCNC(=O)c2ccco2)nc2ccccc21 6753058 LIYHADHNBZCNMC-MRXNPFEDSA-N 359.429 4.211 0 40 FIAB CCc1ccccc1Nc1nnc(S[C@H](C(N)=O)c2ccccc2)s1 8710958 SOEOJABCMVLZIW-HNNXBMFYSA-N 370.503 4.163 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1Cl)c1ccccc1Br 7405305 QWRARJOKKVCTOW-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(Cl)c1Cl 7552498 LRJRCSLXPFCVNC-OAHLLOKOSA-N 369.248 4.059 0 40 FIAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1c(Cl)cccc1Cl 7552493 DEDNQGXHGNDXHH-OAHLLOKOSA-N 369.248 4.059 0 40 FIAB O=C(CCC1CCCCC1)Nc1cc(Cl)ccc1N1CCOCC1 7814847 JPDWXKLHOJTOGC-UHFFFAOYSA-N 350.890 4.476 0 40 FIAB C[C@H]1C[C@@H](Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)O1 9516054 BSNGISICPXGOIQ-XJKSGUPXSA-N 363.442 4.002 0 40 FIAB Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1C 408657767 JALCAVUTWSCXPV-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 30943632 XEFRVLZQVPSNCK-DENIHFKCSA-N 350.506 4.036 0 40 FIAB C[C@]1(C(=O)Oc2ccc(-c3ccccc3)cc2)Cc2ccccc2C(=O)O1 1530987123 OEILNYPMPVOESG-HSZRJFAPSA-N 358.393 4.431 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2cc(C)ccc2C)ccc1Cl 30848253 QODRPRASOCGRHC-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C 36616208 MVVDLICYGFZHOJ-UHFFFAOYSA-N 372.428 4.286 0 40 FIAB Brc1cccnc1N1CCC(Cc2nc3ccccc3[nH]2)CC1 1559225192 NPHIPALCNFIAEZ-UHFFFAOYSA-N 371.282 4.180 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219294361 ZRWCHHYDCMNHOX-QAPCUYQASA-N 353.462 4.435 0 40 FIAB CC[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)c(C)c1 219247422 LBGCFINLIFISRR-QFIPXVFZSA-N 366.505 4.017 0 40 FIAB O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccccc1F 65257859 JIDFNJAWSZEMOZ-UHFFFAOYSA-N 365.408 4.465 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCCCN1CCCc2ccccc21 219397183 QKEPOFQGWVDZDJ-UHFFFAOYSA-N 374.484 4.421 0 40 FIAB Cc1cc(OCC(=O)N[C@@H]2CCCc3ccccc32)ccc1Br 44843181 WYJHVCDNVRQMPY-GOSISDBHSA-N 374.278 4.330 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 222796319 LXLYSMCFSCPNNX-OALUTQOASA-N 366.465 4.004 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222701175 GKMCERFFFSNOAJ-AWEZNQCLSA-N 374.481 4.226 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c(C)c1 224285603 CPIBOLGFRSZJNW-GOSISDBHSA-N 363.457 4.419 0 40 FIAB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2cccs2)CC(O)=N3)cc1 40266270 NDCSIXDFOQQFCZ-CYBMUJFWSA-N 368.414 4.369 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 222776533 IGAXZIMDCDICGH-VQTJNVASSA-N 362.502 4.173 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCc2ccccc21 40024515 WWLNIYFCIGWRGI-UHFFFAOYSA-N 366.442 4.495 0 40 FIAB O=C1C[C@H](c2noc(-c3ccc(F)cc3)n2)CN1c1ccc(Cl)cc1 44421676 SCMROELERGWQOQ-LBPRGKRZSA-N 357.772 4.050 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cc(C)ccc1C 224043282 SRPZQHRUXMMJBK-LJQANCHMSA-N 355.478 4.273 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccccc1Cl)c1cn(C)c2ccccc12 75149225 NHJYSWILEADZJV-IBGZPJMESA-N 370.884 4.256 0 40 FIAB CCc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 224260599 WMELRKOLCSDJQV-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB Cc1cnc(NC(=S)NCCCc2ccccc2)c(Br)c1 223961320 CCTWUNRIGKUARX-UHFFFAOYSA-N 364.312 4.072 0 40 FIAB COc1cccc(C(=O)N(CCc2cccs2)Cc2ccco2)c1OC 77183921 NEWKPLNJDLXIGR-UHFFFAOYSA-N 371.458 4.243 0 40 FIAB CC(=O)N1CCC2(CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)C2)CC1 96268705 UJKHYWVTWRHRCC-UHFFFAOYSA-N 374.834 4.193 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([C@@H](C)O)cc1 585655902 MIRGLMHHZWHYAJ-GHMZBOCLSA-N 354.233 4.453 0 40 FIAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccs1 248166799 RUCWRCXRTNLQLQ-UHFFFAOYSA-N 350.443 4.239 0 40 FIAB Fc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3cscn3)C2)o1 257327167 XAGTZMQYYYUNKF-OAHLLOKOSA-N 357.454 4.241 0 40 FIAB COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](CO)Cc1ccccc1 94568749 HOUMYQDWTJCSDJ-SFHVURJKSA-N 373.452 4.428 0 40 FIAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(Cl)cc1Cl 5823020 SKSPRTZLPYSUCS-ZDUSSCGKSA-N 372.277 4.488 0 40 FIAB Fc1ccccc1C1(NCc2cnc(N3CCCCC3)nc2)CCCC1 12292998 PAAODVFGBOAQPO-UHFFFAOYSA-N 354.473 4.165 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1OC 16635342 OHANFUFQBRMQQK-UHFFFAOYSA-N 359.422 4.144 0 40 FIAB CC(C)C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 18090981 OVDKXAYZBJZYCK-FQEVSTJZSA-N 350.462 4.331 0 40 FIAB Cc1sc(NC(=O)c2c3c(nn2C)CCCC3)nc1-c1ccc(F)cc1 19555590 PBFGDBPEBUPHIJ-UHFFFAOYSA-N 370.453 4.122 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc12 19942973 ROCXHSKDXRIFLC-HZPDHXFCSA-N 361.507 4.295 0 40 FIAB COc1ccc(Br)cc1/C=C1\N=C(c2cccc(C)c2)OC1=O 1515442 UOCSOOSFNRGGCL-GDNBJRDFSA-N 372.218 4.111 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O 1645454 NIDRYBLTWYFCFV-FMTVUPSXSA-N 370.445 4.380 0 40 FIAB biogenic,investigational CCC(O)(CC)CN(C)CCC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1307979481 GLNAGPLUJIEFSR-AYHJJNSGSA-N 368.562 4.038 0 40 FIAB CC(C)NC(=O)c1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 2948941 BOEBKFURKOGQDI-UHFFFAOYSA-N 352.463 4.043 0 40 FIAB Cc1ccc(-c2ccc(SCC(=O)N3CCc4ccccc43)nn2)cc1 4356063 FVYYXGWWSKZFCQ-UHFFFAOYSA-N 361.470 4.133 0 40 FIAB CC(C)(NC=O)C(=O)N[C@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C 4558169 REFAXTQPTQFEPN-LOWQCSRCSA-N 371.308 4.062 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(-c3cccc(C)c3)nn12 12391539 JLMWLIBCVDEPNZ-UHFFFAOYSA-N 356.838 4.490 0 40 FIAB Cc1cccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1C 15880952 QVNVMDGVZRLLJK-UHFFFAOYSA-N 365.458 4.193 0 40 FIAB Cc1cc(C)c2nc(N3CCN(C(=O)C4CCCCC4)CC3)sc2c1 15882425 BTCHYUMHYSNLFU-UHFFFAOYSA-N 357.523 4.142 0 40 FIAB COCCCNc1nc(-c2ccccc2)nc2oc(-c3ccccc3)nc12 28294401 WIDSBSLWNGCVJH-UHFFFAOYSA-N 360.417 4.400 0 40 FIAB Cc1cncc(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)c1 1889993583 QHTFIHRAFWZQEC-UHFFFAOYSA-N 366.852 4.006 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NCC2CCN(c3ccccn3)CC2)cc1 43976522 CDSAUJIRQBRROV-UHFFFAOYSA-N 366.509 4.417 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)/C=C/c2cccs2)c2cccs2)n1 575611070 UJJHWWOCYXBFCS-WAVCKPEOSA-N 357.504 4.042 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1-n1cncn1 24999553 BVZDTJJLQQNQQG-UHFFFAOYSA-N 354.413 4.116 0 40 FIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc2c(c1)OCCCO2 40081592 BXEGUQYRBFTMNR-UHFFFAOYSA-N 350.374 4.119 0 40 FIAB COc1cccc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)c1 40301287 BZLJONHOTPGSTR-UHFFFAOYSA-N 371.440 4.274 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCC(=O)N1Cc1ccccc1Cl 1389857 XTFNJYKHJFJMBI-MRXNPFEDSA-N 363.244 4.123 0 40 FIAB Cn1c(SCc2ccc(Cl)cc2Cl)nc(C(F)(F)F)cc1=O 1400811 IQCBXHIIGZFFFY-UHFFFAOYSA-N 369.195 4.398 0 40 FIAB aggregator Cc1ccc(C(=O)OCCc2sc[n+](Cc3ccccc3)c2C)cc1 3176583 BFFMSUPUVHDNRR-UHFFFAOYSA-N 352.479 4.100 0 40 FIAB CCOc1ccc2nc(NC(=O)/C=C/c3cccc(OC)c3)sc2c1 3266303 UMMYPAFETZNBLH-JXMROGBWSA-N 354.431 4.356 0 40 FIAB Cc1cccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1C 3452229 QFZBHZAIBSSEKS-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc1 4686756 LSJIRKMDLVEJMX-HNNXBMFYSA-N 355.434 4.200 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)c(C)c1 4852782 MPYXNSQNAHIXIM-UWJYYQICSA-N 352.434 4.472 0 40 FIAB Cc1ccc(C)n1NC(=O)c1ccc(Oc2ncnc3sccc23)cc1 6084574 FCAVWKHCRCORPQ-UHFFFAOYSA-N 364.430 4.286 0 40 FIAB O=C(COc1ccc2c(c1)OCO2)Nc1ccccc1Oc1ccccc1 6128708 QGLYZMDJXWPBNG-UHFFFAOYSA-N 363.369 4.225 0 40 FIAB CC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1 7444205 YZCOVDJEEQJMSV-UHFFFAOYSA-N 358.401 4.427 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 7577627 NHRNQBMLPVRYBF-SNVBAGLBSA-N 358.492 4.266 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1ccccc1Cl 7702121 CBRDMEMMJZUNBV-KRWDZBQOSA-N 363.891 4.469 0 40 FIAB O=C(c1ccc(F)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 8016344 HULRPGDBJQBGKQ-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2Cl)c1 8092221 GTQLZNCBTFRXAA-VQHVLOKHSA-N 350.201 4.432 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 8097845 HXVMHYVZMZAOOB-UHFFFAOYSA-N 368.216 4.431 0 40 FIAB CC(=O)NCc1ccc(-c2csc(NCCc3ccccc3)n2)cc1 8208945 WGZPZSXWIJROQG-UHFFFAOYSA-N 351.475 4.101 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 8262908 VCIPBFUIFJZZED-LJQANCHMSA-N 366.852 4.110 0 40 FIAB CN(Cc1ccccc1Br)C(=O)c1cnc(Cl)c(Cl)c1 8882791 CVHMTBOYBGBQEY-UHFFFAOYSA-N 374.065 4.423 0 40 FIAB CCCCOc1cccc(C(=O)Nc2nonc2-c2ccc(F)cc2)c1 9305894 VDMMNWHOQPFUFH-UHFFFAOYSA-N 355.369 4.307 0 40 FIAB CCCN1CCC(Nc2nc3c(Cl)c(C)nn3c3ccccc23)CC1 9364285 NTHKAUXNAXCCGM-UHFFFAOYSA-N 357.889 4.131 0 40 FIAB Cc1ccc2cccc(OCC(=O)N(C)[C@H](C)c3ccc(F)cc3)c2n1 10900797 YDJJBNNMZRBBON-OAHLLOKOSA-N 352.409 4.281 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 11092427 BUQJTXXUKSAPPF-IIBYNOLFSA-N 368.477 4.080 0 40 FIAB O=C(NCCCN1Cc2ccccc2C1)c1ccnc2ccc(Cl)cc12 12193313 VGNYQWUSZFMNTE-UHFFFAOYSA-N 365.864 4.024 0 40 FIAB O=C(O)c1cc(-c2ccco2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12396043 QCZOIKZFOPBCNO-UHFFFAOYSA-N 363.348 4.395 0 40 FIAB Cc1cc(Oc2ccc(S(=O)(=O)N3CCCC3)cn2)ccc1C(C)C 12536342 QGNRVRNOHBDOPQ-UHFFFAOYSA-N 360.479 4.090 0 40 FIAB C[C@H](SCc1ccc(Br)cc1)C(=O)Nc1ccncc1 12554082 HQWAYSFXKWZHLB-NSHDSACASA-N 351.269 4.105 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 12616774 RFCQAUFGKNTCNJ-UHFFFAOYSA-N 367.380 4.010 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cn3c(C)cccc3n2)cc1 12628981 BUZOOQJVHIKVGM-FQEVSTJZSA-N 363.461 4.409 0 40 FIAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccncc1 12912111 JKVAJYAICHPBNS-UHFFFAOYSA-N 371.484 4.274 0 40 FIAB C[C@H](CNC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1 13019173 PAOLKPVTCRZZTG-CQSZACIVSA-N 370.449 4.395 0 40 FIAB Cc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)c(C)c1 13610739 YLDDDBYPSSVDTK-UHFFFAOYSA-N 367.478 4.471 0 40 FIAB O=C([C@H]1Cc2ccccc2O1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14230403 NDIWEFYHOVBTPE-CRAIPNDOSA-N 364.470 4.006 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1nc(Cl)ccc1Cl 14689107 GCZVOHIAHZNPCR-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB O=S(=O)(c1ccc(Cl)c(Cl)c1)c1cnc2c(F)cccc2c1O 15828977 UWRWMRRIMALCEH-UHFFFAOYSA-N 372.204 4.219 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1C 17052796 UWOBWMPWPRYSDI-UHFFFAOYSA-N 372.494 4.005 0 40 FIAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(CC3CC3)CC[C@H]21 19406604 WLAADQORILZEAJ-NJDAHSKKSA-N 372.578 4.355 0 40 FIAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1cccc(F)c1 19575476 KOMMVKHTPLDCQD-LLVKDONJSA-N 365.330 4.013 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 21357705 PBGMBLYMLNMHPI-GFCCVEGCSA-N 352.356 4.177 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(C(F)(F)F)c1 22311826 BFKYUSOZVSVYKG-LBPRGKRZSA-N 369.170 4.186 0 40 FIAB COc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 24577446 YLCBETWFRRGPDY-UHFFFAOYSA-N 366.490 4.329 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 25768730 QZKSZYOLFJDXEZ-UHFFFAOYSA-N 359.451 4.231 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1Cl 27391873 BLSPILRUEYGXKG-UHFFFAOYSA-N 362.832 4.142 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 27583078 CPBOLEPGTHSJQP-MRXNPFEDSA-N 365.433 4.376 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27604112 PBLZWGFECBPMSZ-SFHVURJKSA-N 358.507 4.102 0 40 FIAB Cc1ccc(-c2csc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)n2)cc1 28935135 CHGIAEONHDBZMZ-SCLBCKFNSA-N 366.442 4.286 0 40 FIAB COc1ccc(C(C)=O)c(O[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 30497488 MRNQFHYCATVUSG-NSHDSACASA-N 365.788 4.096 0 40 FIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(OC)c1 32548003 ZTQZYBHASWARMU-NSHDSACASA-N 368.260 4.431 0 40 FIAB Cc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 33196949 WEKBDOXSPSLPMT-QWRGUYRKSA-N 354.294 4.029 0 40 FIAB FC(F)(F)c1ccc2c(c1)CCCN2Cn1nc2ccccn2c1=S 36398036 IKLYKQMYIRKGCF-UHFFFAOYSA-N 364.396 4.294 0 40 FIAB CCc1nc2ccccc2c(C)c1C(=O)OCc1nc(CC(C)C)no1 37143222 BDTFJNNKPJFTPC-UHFFFAOYSA-N 353.422 4.044 0 40 FIAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCC[C@H](C(F)(F)F)C1 40039834 MQEKCQWBLQGOSA-RYUDHWBXSA-N 356.413 4.466 0 40 FIAB Cn1ccc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc21 40309518 FZANKZFNMSJREJ-UHFFFAOYSA-N 351.837 4.286 0 40 FIAB biogenic Cc1ccc(-c2nc(NC(=O)[C@@H]3COc4ccccc4O3)sc2C)cc1 40881721 UVFNFCHMNYSSNX-KRWDZBQOSA-N 366.442 4.205 0 40 FIAB COc1ccc2nc(C)c(C(=O)N3CCCc4c(F)cc(F)cc43)cc2c1 48333289 APACFWKVWQEDJP-UHFFFAOYSA-N 368.383 4.423 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(N2CCCCC2)CC1 50009332 KQNNEINNTPAJJR-UHFFFAOYSA-N 362.517 4.373 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(CN2CCCC[C@H]2C)cc1 53720475 DYYALFZUCZNFRQ-OAHLLOKOSA-N 355.482 4.237 0 40 FIAB CCOc1ccc(-c2noc(-c3cn(CC)c4ccccc4c3=O)n2)cc1 57354769 SCTPBSUYRIVBOS-UHFFFAOYSA-N 361.401 4.137 0 40 FIAB O=C(COC(=O)c1cncn1-c1ccccc1)c1ccc2ccccc2c1 60583314 HKALCZYMZDXSOV-UHFFFAOYSA-N 356.381 4.065 0 40 FIAB Fc1ccc(CNC2CCN(CC(F)F)CC2)cc1-c1cccs1 60953508 YZNQOUZLPRXYEI-UHFFFAOYSA-N 354.441 4.373 0 40 FIAB COc1cc(C(=O)NCCCc2ccccc2)nc2c(C)cc(F)cc12 72329533 MSAROJWNBILSKP-UHFFFAOYSA-N 352.409 4.054 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 72403631 ZLVYCEWABNTTIP-YWZLYKJASA-N 374.481 4.025 0 40 FIAB C[C@@H](NC(=O)Nc1ccccc1Cl)c1noc(Cc2ccccc2)n1 79772827 PHVLMYPCWOWABN-GFCCVEGCSA-N 356.813 4.197 0 40 FIAB COc1cccc(Br)c1OCc1nc(CCC(C)C)no1 84510819 VXLWXKAPOAJUGU-UHFFFAOYSA-N 355.232 4.008 0 40 FIAB C[C@@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccon1 89913455 CJYUYJPNJFADJB-OAHLLOKOSA-N 358.401 4.018 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CC(=O)O)c1ccc(F)cc12 91302754 AWICMJBHPMLOFP-ZDUSSCGKSA-N 363.429 4.056 0 40 FIAB in-vitro CC1(C)C[C@H](NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CCO1 95475618 XTONVRDRXGIJOV-PKOBYXMFSA-N 374.912 4.389 0 40 FIAB CCCO[C@H]1CCCN(C(=O)Nc2c(C)noc2-c2ccccc2)CC1 95942301 BRQHLIVNDXJJPG-KRWDZBQOSA-N 357.454 4.463 0 40 FIAB CC[C@@](Cl)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96520683 PBNDRRSGGLQXSZ-ROUUACIJSA-N 352.883 4.167 0 40 FIAB C[C@H](NC1(CNCc2ccc([C@H]3C[C@@H]3C)o2)CCOCC1)c1ccccc1 97002564 ZXJCGYDYWHXRHF-WFXMLNOXSA-N 368.521 4.393 0 40 FIAB Cc1cc(OCC(=O)NC(C(C)C)C(C)C)cc(C)c1Br 218834236 MQWCDGRQJOURMV-UHFFFAOYSA-N 356.304 4.242 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc(C)c1C 223944992 MLYUNIQBISSLCB-QGZVFWFLSA-N 361.869 4.309 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCOc2ccc(C)c(C)c2)c1 224426155 JDQLSIZIZLWDCP-LJQANCHMSA-N 355.478 4.191 0 40 FIAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929134 CRLCLBONWNHUOM-UHFFFAOYSA-N 350.654 4.472 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225533687 CJMJIYXRCDIPHW-LPHOPBHVSA-N 371.477 4.355 0 40 FIAB O=C(CSc1ccc(F)cc1)NCc1ccnc(-c2ccsc2)c1 225755134 XAFJJCVKMWLCTI-UHFFFAOYSA-N 358.463 4.358 0 40 FIAB Cn1nc(-c2ccccc2)c2c1[C@H](c1ccccc1)CN(c1ncccn1)C2 306140627 UZDTWOUTYABOAJ-IBGZPJMESA-N 367.456 4.029 0 40 FIAB CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2ccco2)cc1 390830689 MQRZWJTVBKXUOV-UHFFFAOYSA-N 367.474 4.096 0 40 FIAB Cc1noc(COc2ccc(Oc3ncncc3-c3ccccc3)cc2)n1 537047937 ZIHVSJXLADMMPJ-UHFFFAOYSA-N 360.373 4.206 0 40 FIAB O=C(O)c1cccc(OCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 571649302 NSAYIKMWFPJUEP-UHFFFAOYSA-N 364.445 4.125 0 40 FIAB CC(C)c1ncsc1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 580405997 PPTSORURQGUVOQ-GOSISDBHSA-N 356.491 4.091 0 40 FIAB Cc1sc([C@H](C)N[C@H](C(=O)O)C2CC2)nc1-c1ccc(Cl)cc1 635017277 STHIKJUHKBBBTK-VFZGTOFNSA-N 350.871 4.286 0 40 FIAB COc1ccc(-c2nc([C@@H]3NC(C)(C)C(=O)N3CC(C)(C)C)cs2)cc1 639426900 XGNUYGGLVPFCAO-MRXNPFEDSA-N 373.522 4.074 0 40 FIAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1ccc(C(F)(F)F)nc1 675008038 QNCIAWDTCGGQAS-CYBMUJFWSA-N 366.364 4.317 0 40 FIAB O=C1CC[C@]2(CCCN(Cc3nccs3)CC2)N1CC1CCCCC1 1614940056 FUKKSSUWERGGLX-FQEVSTJZSA-N 361.555 4.071 0 40 FIAB COc1ccc(CN2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1F 1889049281 SSLUIPJMJQZKDB-CQSZACIVSA-N 373.453 4.325 0 40 FIAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccnc1 848972 ZOUOUUPERBCFTE-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB COc1ccc(-c2csc(Nc3cccc(C(=O)O)c3)n2)cc1OC 853344 KTJYQBAKTQNGMV-UHFFFAOYSA-N 356.403 4.269 0 40 FIAB CCOC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 1377454 UBWBOWWDRXQYBM-UHFFFAOYSA-N 350.509 4.349 0 40 FIAB Cc1ccc([C@H](OC(=O)c2cccs2)C(=O)NC2CCCCC2)cc1 1381178 YYTAGYWLOXRISV-SFHVURJKSA-N 357.475 4.404 0 40 FIAB Cc1ccccc1Cc1nnc2sc([C@H](C)Oc3ccc(F)cc3)nn12 2183301 PFWIWQMOHQTREH-ZDUSSCGKSA-N 368.437 4.364 0 40 FIAB Cc1ccc(-c2c(NC(=O)C(C)C)n(-c3ccccc3)nc(C)c2=O)cc1 2346038 LESUPLPXIOYDHF-UHFFFAOYSA-N 361.445 4.111 0 40 FIAB CCC(C)(C)NC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778873 CHHZRRIGUPSMAN-MRVPVSSYSA-N 351.800 4.299 0 40 FIAB Cc1cccc(/N=c2\scc(-c3ccccc3)n2N2CCOCC2)c1C 4280252 NVIGOVMWIBTBKJ-DQRAZIAOSA-N 365.502 4.034 0 40 FIAB Nc1cc2c(cc1Br)-c1ccc(Br)cc1C2=O 4823907 SOPWQAGJYGTIPS-UHFFFAOYSA-N 353.013 4.005 0 40 FIAB Cc1cccc(-c2ocnc2C(=O)Nc2nnc(-c3ccco3)s2)c1 5001985 YBNHYASRQMQWRX-UHFFFAOYSA-N 352.375 4.014 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)Cc1c[nH]c2ccccc12 5400739 VUUMEDWGZQKTRT-AWEZNQCLSA-N 360.413 4.315 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(N2CCCCC2=O)c1 5441622 HPJKPKJKDMFQRI-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB Fc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 5772206 TXFVMSUBINNSBV-UHFFFAOYSA-N 354.454 4.460 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 6857665 KIWGSWKQQNIGPS-CQSZACIVSA-N 368.289 4.472 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 6879990 NRYBXYKPRWCFAM-UHFFFAOYSA-N 356.491 4.007 0 40 FIAB O=C1NC2(CCCCCC2)C(=O)N1CCSc1ccc(Cl)cc1 7086431 VAIIELCDWRKFGA-UHFFFAOYSA-N 352.887 4.077 0 40 FIAB O=C([C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1)N1CCCC1 7113760 HHZBWWYSHDBLLR-OAHLLOKOSA-N 371.487 4.254 0 40 FIAB Cc1ccc(C(=O)CCC(=O)OCc2cn3cc(Cl)ccc3n2)cc1C 7320437 XNDYSKRXYZAWEG-UHFFFAOYSA-N 370.836 4.311 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 7495397 RYOJETDRWAWPLF-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB CSc1ccc(CSCc2nc(N)nc(Nc3ccccc3)n2)cc1 7851552 JWCTZAFDNALESM-UHFFFAOYSA-N 369.519 4.353 0 40 FIAB CCOc1cc(C(=O)NCc2ccccc2C)cc(OCC)c1OCC 7976880 PAXQQRDQGYQQHG-UHFFFAOYSA-N 357.450 4.121 0 40 FIAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc2ccccc2c1 8327194 YWJMKKAAKXSVGH-CYBMUJFWSA-N 367.478 4.061 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)Oc1ccc(Cl)cc1 8587382 MNNPVDAVCMMEQK-UHFFFAOYSA-N 352.824 4.149 0 40 FIAB Cc1cc(OCC(=O)Nc2nc3c(s2)CCCC3)cc(C)c1Cl 8673573 CREIVVIEEJOJHQ-UHFFFAOYSA-N 350.871 4.310 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3F)ccc21 9136736 KNACVWAANMOZLQ-UHFFFAOYSA-N 358.388 4.296 0 40 FIAB CCOc1ccc2[nH]c(S[C@H](C(=O)NC3CC3)c3ccccc3)nc2c1 9367168 OSUARIXLONWFQR-SFHVURJKSA-N 367.474 4.074 0 40 FIAB CCn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 11696011 XUEIYWVBTDSLSR-UHFFFAOYSA-N 353.809 4.040 0 40 FIAB CCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 12539665 HFLLFWYYRQERLU-HNNXBMFYSA-N 353.853 4.074 0 40 FIAB Cc1ccc(/C=C/C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1 12734707 YVTITSDKSJRNLX-OUKQBFOZSA-N 373.500 4.495 0 40 FIAB CCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12758771 QZSLQRNURWIOJY-UHFFFAOYSA-N 366.442 4.396 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Sc1nc2ccccc2nc1C 12903215 KJNZSCCWQGRJBF-ZDUSSCGKSA-N 353.447 4.066 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2Cl)c(C)n1 12912548 IQNMOXLZTZIFGK-ZDUSSCGKSA-N 363.914 4.279 0 40 FIAB CC(=O)c1csc(NC(=O)c2ccc(CSc3ccccc3)o2)n1 12917660 NMPXIEBXRAHOFP-UHFFFAOYSA-N 358.444 4.483 0 40 FIAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)N[C@H](C)c1cccs1 14163567 FODAVUKHXNTELP-LLVKDONJSA-N 371.478 4.280 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1C 19943246 QDDLJCHPBOHLEX-HOTGVXAUSA-N 353.528 4.231 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1OC 20108926 XAORZXYIKGLBRJ-LSDHHAIUSA-N 359.491 4.370 0 40 FIAB O=C1C[C@@H](c2ccccc2OCc2cccc(Cl)c2)c2c[nH]nc2N1 20745123 MZECVZBALGSBAW-HNNXBMFYSA-N 353.809 4.116 0 40 FIAB CC(C)NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 20889506 PAVZPJOJVZUQSI-UHFFFAOYSA-N 353.853 4.390 0 40 FIAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1cccs1 21577293 YOQGIHLFSAXXQW-UHFFFAOYSA-N 363.483 4.004 0 40 FIAB COc1ccccc1OCCn1c(CN2CCCCC2)nc2ccccc21 21783147 UDABJVXXWKIWRG-UHFFFAOYSA-N 365.477 4.110 0 40 FIAB CCN(Cc1ccc(OC)c(F)c1)C(=O)NCC1(c2ccccc2)CC1 22427255 BTPJZROZVNRBQZ-UHFFFAOYSA-N 356.441 4.098 0 40 FIAB O=C(NCc1ccco1)c1csc(Nc2ccc(OC(F)F)cc2)n1 23136854 LFUIFKJTNGREEJ-UHFFFAOYSA-N 365.361 4.011 0 40 FIAB O=C(CCSc1nc2ccccc2s1)NCc1cc(F)cc(F)c1 30499800 KMVRKHMNEMUILW-UHFFFAOYSA-N 364.442 4.373 0 40 FIAB OCCCNc1ncnc2c1oc1nc(C3CCCCC3)c3c(c12)CCC3 32073143 KPMNMXXWDCGKJX-UHFFFAOYSA-N 366.465 4.102 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1ccccc1)N1CCCC1 32721268 VSBPTBRFPGYMSA-QHCPKHFHSA-N 358.485 4.336 0 40 FIAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)sc2cccc(F)c12 32772906 PBNQFDLCXQIFNQ-JTQLQIEISA-N 370.405 4.321 0 40 FIAB Cc1ccsc1CN(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 32862965 XXZFVXHUVQBHRE-OAHLLOKOSA-N 354.479 4.145 0 40 FIAB CCN(C(=O)[C@@H](C)Nc1c(C)nn(-c2ccccc2)c1C)C1CCCCC1 32900806 IRWGNJKUEXNZNU-QGZVFWFLSA-N 368.525 4.471 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 39963269 DCULZKHFWRGXHA-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB C[C@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1 40086399 UKFQXYSARRPSLO-AWEZNQCLSA-N 366.440 4.352 0 40 FIAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 40373055 ZANHFFQEVFCQHR-VIZSFHNOSA-N 367.533 4.174 0 40 FIAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1F 41077027 BEJQNBGSSAXOAC-UHFFFAOYSA-N 353.397 4.110 0 40 FIAB CC(C)NC(=O)Nc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1 44502830 ZYBIDYOSFMZDSW-OAHLLOKOSA-N 371.506 4.477 0 40 FIAB CC(C)Oc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 44846800 DXOPHQGJIQREPA-UHFFFAOYSA-N 374.289 4.259 0 40 FIAB Cc1cc2occ(CC(=O)Nc3ccccc3CC(N)=O)c2cc1C(C)C 46075848 RNAFICMMNCCBGT-UHFFFAOYSA-N 364.445 4.074 0 40 FIAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccco4)ccc32)c1 46078659 GKETWWJOBUVQEH-UHFFFAOYSA-N 374.440 4.111 0 40 FIAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@@H]1c1ccsc1 48234182 UYDFKEHNBUOCFH-RTBURBONSA-N 357.475 4.283 0 40 FIAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 48276692 OWAMEJQGEAFXHE-QGZVFWFLSA-N 369.465 4.487 0 40 FIAB CCCCCCn1c(SCc2nccn2C)nc2ccccc2c1=O 48355487 PQZLJNCCWNDMQB-UHFFFAOYSA-N 356.495 4.003 0 40 FIAB Cn1cccc1CN(Cc1cccs1)C(=O)NCc1ccc(F)cc1 49026685 INANAKJEYHYMPN-UHFFFAOYSA-N 357.454 4.138 0 40 FIAB O=C(c1cc2c(s1)CCCC2)N1CCN(c2ccc(Cl)cc2)CC1 57416758 LWMGIXKHQVFIOS-UHFFFAOYSA-N 360.910 4.243 0 40 FIAB CCOC(=O)c1c(CN(C)Cc2ccc(F)cc2)nc2ccccc2c1C 57697148 UYBHBLFITVQDJB-UHFFFAOYSA-N 366.436 4.491 0 40 FIAB O=C(CC[S@@](=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1 58098066 UYJJADUQUPEPBV-QHCPKHFHSA-N 374.264 4.410 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C2CCC2)s1 61720890 NOMVRHKDCHLMKY-UHFFFAOYSA-N 373.507 4.258 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C[C@@H]1CCCCO1)CC2 61760063 IVBSQJXXVFTDNJ-KKSFZXQISA-N 373.518 4.282 0 40 FIAB O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(-c2ccccc2F)s1 69350479 FUSHBJBSDWKXIO-CYBMUJFWSA-N 371.437 4.040 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCN1CC[C@H](c2ccccc2)C1 69629666 JDXWSZIQRCRXJW-INIZCTEOSA-N 358.869 4.167 0 40 FIAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 72304745 YOTZCPVIGBHZKI-HOTGVXAUSA-N 363.465 4.319 0 40 FIAB COc1cc(C)c(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccccc3)C2)cc1C 72395189 RVZNWAWLTKWWEA-LEWJYISDSA-N 361.489 4.418 0 40 FIAB Cc1nc(NC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)oc1C 84061554 UNBUYMRWQVZTGH-GFCCVEGCSA-N 351.809 4.323 0 40 FIAB O=C(NCc1cccs1)N1CCC(CSCc2ccco2)CC1 85472487 CLQPUYQRFZFRCO-UHFFFAOYSA-N 350.509 4.196 0 40 FIAB COc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1C 95097169 VLSVAZURVJHLDV-UHFFFAOYSA-N 360.479 4.135 0 40 FIAB Cc1cc(Nc2ncnc3c2cnn3-c2ccccc2)nn1[C@H](C)C1CC1 96009795 DQZQOEKYTPYIAQ-CQSZACIVSA-N 359.437 4.035 0 40 FIAB CCOc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3ncnn32)cc1OC 101514460 VKKWQVQAHJZHDM-GOSISDBHSA-N 362.433 4.050 0 40 FIAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 103718149 UASZKIQPTWAGQJ-KRWDZBQOSA-N 366.461 4.166 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCC[C@@H](CCO)c1ccccc1 206631152 REPDYKDVPIOYAH-HNNXBMFYSA-N 362.857 4.026 0 40 FIAB COc1cc(CNC(=O)[C@H](C)Oc2cccc(C)c2C)ccc1OC(C)C 216392129 JBXKNZLJSXVGIO-KRWDZBQOSA-N 371.477 4.183 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222968446 OASUYSLOVJCHQS-HOTGVXAUSA-N 353.462 4.219 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(Cl)cc1 224155453 DKCLYNZOTYGEMU-UHFFFAOYSA-N 371.820 4.451 0 40 FIAB CCOc1ccc(C(=O)N2CCCCC2)cc1COCc1ccccc1 224750574 DYMFMOAQWLOCBF-UHFFFAOYSA-N 353.462 4.428 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)Cc2cccc3ccccc23)cc1OC 224942575 DSUMKFKFPOFPBT-MRXNPFEDSA-N 363.457 4.352 0 40 FIAB O=C(Cc1cccc(Br)c1)NCCSCc1ccccc1 225612678 RUJUAJCUGGXZAS-UHFFFAOYSA-N 364.308 4.041 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCC1 225706775 JTDVTPKAIMVXIK-SFHVURJKSA-N 374.525 4.228 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCc2nc(-c3ccccc3)no2)c1 225813874 AHKBYTLBZPNSMT-UHFFFAOYSA-N 368.462 4.010 0 40 FIAB Cc1csc(CNC(=O)CCCn2cc(-c3ccc(Cl)cc3)cn2)n1 227164119 XQDRSTKHXCUNCR-UHFFFAOYSA-N 374.897 4.065 0 40 FIAB Cn1cc(CN2CCCC[C@H]2c2ccc(-c3ccc(F)cc3)nc2)cn1 257309617 UBQNZCQZFLXWCF-NRFANRHFSA-N 350.441 4.348 0 40 FIAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260718190 RSCGCGABEBDWRB-GOEBONIOSA-N 369.538 4.069 0 40 FIAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1C[C@@H]1CCCO1 302766746 MAOQOYAGBQABIK-YFKPBYRVSA-N 369.031 4.075 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1Br 408705256 AONIOZDCIGYJRJ-MRXNPFEDSA-N 364.239 4.254 0 40 FIAB CC(C)c1nc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)n[nH]1 524733524 RFSRUJPKAVYWGK-OAHLLOKOSA-N 357.845 4.001 0 40 FIAB O=C1C[C@@H](c2cccc(Nc3cnc4cc(Cl)c(Cl)cc4n3)c2)CN1 542041353 GDSSWGCUAIXFFL-LLVKDONJSA-N 373.243 4.284 0 40 FIAB O=C(CSc1ccc(F)cc1)N1CCC(Oc2ccsc2)CC1 575619683 ORKCRTSVGYRLSI-UHFFFAOYSA-N 351.468 4.049 0 40 FIAB Clc1cnc(N2CCC(Oc3nccs3)CC2)c(Br)c1 2086869148 YIMJNILYXOJAQV-UHFFFAOYSA-N 374.691 4.002 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl 648324 PYEJHTZQLRKCMT-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccco1 933351 YGILBYQOBWIOMC-UHFFFAOYSA-N 372.421 4.068 0 40 FIAB O=C(NC[C@@H]1COc2ccccc2O1)c1sc2ccccc2c1Cl 1035139 MSWPSTAQLHBLMC-LLVKDONJSA-N 359.834 4.125 0 40 FIAB CS(=O)(=O)c1cnn(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1 1400510 SUEYAUZVRXBFFT-UHFFFAOYSA-N 367.257 4.250 0 40 FIAB CCC(=O)Oc1ccc(NC(=O)Oc2ccc(Br)cc2)cc1 1421611 UWYFECVXORURQE-UHFFFAOYSA-N 364.195 4.375 0 40 FIAB CCOC(=O)[C@]1(C)C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 1833496 WSBWOSUWLYJCPY-FQEVSTJZSA-N 370.836 4.004 0 40 FIAB Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 1932248 DXUSTCOZIXLYDS-LBPRGKRZSA-N 374.531 4.011 0 40 FIAB CCc1ccc(OCc2nc(-c3cccnc3)no2)c(Br)c1 2445704 QVPUEUCZHIOWRQ-UHFFFAOYSA-N 360.211 4.036 0 40 FIAB Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccc(F)cc1 2737982 HZCIMJLAYGKQHT-KBPBESRZSA-N 362.426 4.087 0 40 FIAB CCC(CC)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 2744536 MKQKVTLFUXYXTG-UHFFFAOYSA-N 360.479 4.171 0 40 FIAB O=C(CSc1nnc(Nc2ccccc2F)s1)c1cccs1 3220917 RMDQNTUBUHCIPY-UHFFFAOYSA-N 351.453 4.457 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Cl)cc2Cl)c1C 3274928 DJGZTEYNBKYMJG-UHFFFAOYSA-N 370.232 4.472 0 40 FIAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccccn2)c2ccccc21 3313518 IXQWFRVBQUNAEY-UHFFFAOYSA-N 370.408 4.280 0 40 FIAB COc1cccc(-c2nnc(SCc3nc4ccccc4s3)n2C)c1 3397730 JLBUIVMRZYNOEZ-UHFFFAOYSA-N 368.487 4.393 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CSC3)cc1 4176104 PAVLGJFDOGNORU-UHFFFAOYSA-N 371.412 4.458 0 40 FIAB CC(C)Sc1nc2c(c(=O)n1-c1cccc(C(F)(F)F)c1)SCC2 4358858 KSQDWPFOEWZYJC-UHFFFAOYSA-N 372.437 4.400 0 40 FIAB COc1ccccc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 4570734 DNTBQLWDZNMJEB-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 4592890 GFFYXPWATCZTPU-VZJWBNGJSA-N 369.461 4.098 0 40 FIAB COc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1 4733912 NEPJECFLGZRQSZ-UHFFFAOYSA-N 359.385 4.482 0 40 FIAB CC(C)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 5009921 VAPFJFAQGFTQBM-ZDUSSCGKSA-N 353.491 4.150 0 40 FIAB CCC(CC)NC(=O)COc1ccc2ccccc2c1Br 5346976 KDNJGAJKQJKAMW-UHFFFAOYSA-N 350.256 4.286 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1 5441332 SVXJMZMPJUOFED-UHFFFAOYSA-N 366.461 4.092 0 40 FIAB CC(=O)[C@H]1C[C@H](CC(=O)NC(=S)Nc2c(C)cc(C)cc2C)C1(C)C 5739633 QVBNSYIGXTYOSR-HZPDHXFCSA-N 360.523 4.066 0 40 FIAB C[C@H]1[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@H]2CCCCN12 5758916 MWRBNPVKOTZDOJ-VLCRHTCISA-N 362.517 4.198 0 40 FIAB CCOc1cc(C(=S)N2CCCCC2)c(Br)cc1OC 6155332 SSHCJHWTLFXQBL-UHFFFAOYSA-N 358.301 4.018 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccccc2SC)c(OC)c1OC 6170321 MUVUYXOHMXWMRO-ZRDIBKRKSA-N 359.447 4.086 0 40 FIAB Cc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6479320 KIQBNUJZBVTTEC-UHFFFAOYSA-N 352.415 4.142 0 40 FIAB CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1c(F)cccc1Cl 6497514 SJKNTUKXNSHYMK-UHFFFAOYSA-N 366.223 4.001 0 40 FIAB CCOC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1CCC2 6656006 YEFRIMMKIWQWTE-UHFFFAOYSA-N 373.474 4.048 0 40 FIAB CCCCOc1cccc(C(=O)Nc2nonc2-c2ccc(C)cc2)c1 6719449 NWRBXMKQFXLZDD-UHFFFAOYSA-N 351.406 4.476 0 40 FIAB CN(C)C(=O)[C@@H](OC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 6842770 DMVDZQZCCWUNFD-SFHVURJKSA-N 357.475 4.003 0 40 FIAB Cc1ccc2[nH]c(SCc3nc4ccc(Cl)cc4c(=O)[nH]3)nc2c1 7060745 JFEOEHGAICDXHQ-UHFFFAOYSA-N 356.838 4.054 0 40 FIAB O=C(COC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc(F)cc1 7095717 COYWEYBDICDXPP-UHFFFAOYSA-N 363.388 4.478 0 40 FIAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccccc1F 7604003 FDWACAHUDANAFV-UHFFFAOYSA-N 369.186 4.264 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccccn1 7737086 JTNSRLZMUMOBQP-BTYIYWSLSA-N 372.424 4.027 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(N2CCCC2=O)c1 7923892 ZTFUMZHHLVOVIH-UHFFFAOYSA-N 372.852 4.263 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1CN1CCCC1 8011659 UMFMPPBHDWEYEG-UHFFFAOYSA-N 374.484 4.374 0 40 FIAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccccc1 8195913 XSZWEXUNPMYUQT-LBPRGKRZSA-N 373.865 4.360 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nc(-c2cccs2)n[nH]1 8230745 RTMPVHXPJSASQI-UHFFFAOYSA-N 359.476 4.427 0 40 FIAB COc1ccc(OCCN(C)C(=O)c2ccc(-c3ccccc3F)o2)cc1 8306326 PPWJHBOGWVOXMH-UHFFFAOYSA-N 369.392 4.245 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2ccccc2)s1 8793895 ORMQTYMSKPIXMD-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB CC(C)Sc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 8794173 LKNZWXQJSQENNO-UHFFFAOYSA-N 359.476 4.209 0 40 FIAB CCOc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 9063000 RMYRMWXQWNFGMC-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB CCc1ccc2c(CC(=O)Nc3ccc4c(c3)OCCCO4)coc2c1 9477444 OUSMMPQOADKDMH-UHFFFAOYSA-N 351.402 4.338 0 40 FIAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@H](c2ccc(Cl)cc2)CC3=O)n1 9936328 WDPSMVMSLBQMQL-HNNXBMFYSA-N 366.852 4.154 0 40 FIAB COc1ccccc1NC(=S)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10184218 IETMDQHBAGCCAV-AWEZNQCLSA-N 366.490 4.148 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1cccc(C(F)(F)F)c1 10634953 BRHDERXHOUXAKG-UHFFFAOYSA-N 361.319 4.155 0 40 FIAB COc1cc2ccccc2cc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10785460 AVDLECWOWJGWLS-UHFFFAOYSA-N 371.440 4.306 0 40 FIAB Cc1cc(-c2cnc(NCCc3ccc(F)cc3)nc2[C@H]2CCCO2)on1 12142264 FGXCBQZZZQDGBI-QGZVFWFLSA-N 368.412 4.085 0 40 FIAB O=C(Cc1cccc(Cl)c1)NC1(c2ccc3c(c2)OCO3)CCCC1 12155538 SVVSFFNFPWBANF-UHFFFAOYSA-N 357.837 4.197 0 40 FIAB COc1ccc(C)cc1CN1[C@H]2CC[C@@H]1CC(O)(c1cccc(F)c1)C2 12345038 FXHMVTKBGRRGOX-RLAPIPATSA-N 355.453 4.157 0 40 FIAB COC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12397131 AHVKTGRYQWFSTF-UHFFFAOYSA-N 351.381 4.101 0 40 FIAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(-c3ccccc3)cs2)n1 12441767 BCOXEERKSCMXLN-UHFFFAOYSA-N 350.403 4.150 0 40 FIAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)noc1C 12634653 GTRRARHPTRGNGP-UHFFFAOYSA-N 369.387 4.338 0 40 FIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1N1CCCC1=O 12789767 XKMXKMPUBBOKEF-MRXNPFEDSA-N 366.461 4.344 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)C(C)C)c(C)n1 13001929 NXQWWZFCRZWGCX-IBGZPJMESA-N 357.523 4.261 0 40 FIAB COc1ccc(Cl)cc1C(=O)OCc1nc(-c2ccc(C)cc2)no1 13162231 DFWXHVANSIHUHE-UHFFFAOYSA-N 358.781 4.064 0 40 FIAB C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)c1ccc(OC(F)F)cc1 14094215 JKBVNVGADQIVQE-VIFPVBQESA-N 365.361 4.030 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2cccs2)cc1 14134494 FQYIHEFFJGAJSR-CYBMUJFWSA-N 372.519 4.245 0 40 FIAB CC[C@@H](CO)NCc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 20573389 ZDCBEIVNJXJLIB-KRWDZBQOSA-N 363.885 4.097 0 40 FIAB O=C(CCCc1cn(CN2CCCCC2)c2ccccc12)N1CCCC1 20648194 KCDDECXDQSOEFK-UHFFFAOYSA-N 353.510 4.030 0 40 FIAB Cc1ccc(N2C(=O)N(Cc3coc(-c4cccs4)n3)C(=O)[C@@H]2C)cc1 21072475 UOCHRDAWWBDOPR-ZDUSSCGKSA-N 367.430 4.069 0 40 FIAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccs1 22076395 WMAWNSMGSVDNBP-IBGZPJMESA-N 369.486 4.159 0 40 FIAB CC(C)(C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507562 VUSLDZWSMAPKSO-UHFFFAOYSA-N 351.450 4.086 0 40 FIAB Cc1nn(-c2ccc(NC(=O)c3ccoc3C)cc2)c(C)c1Br 27924637 KLDVHZZZOJBMEP-UHFFFAOYSA-N 374.238 4.405 0 40 FIAB CCCCCC[C@@H](C)NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 29326439 NMBSYABSBCNUMX-GOSISDBHSA-N 373.541 4.471 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)CCSCc1ccccc1 30848568 PYINSYBMOLEHTB-UHFFFAOYSA-N 365.502 4.120 0 40 FIAB Cc1cc(SCCCCN2C(=O)c3ccccc3C2=O)nc(C(C)C)n1 30969174 MOCHEVQIZBHEPI-UHFFFAOYSA-N 369.490 4.077 0 40 FIAB C[C@@H]1CCN(C(=O)CCc2nc(-c3cccs3)no2)c2ccccc21 31782027 JEXWKELJEJXNMT-CYBMUJFWSA-N 353.447 4.271 0 40 FIAB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2F)c1)c1cccnc1 31966646 DCCPDKZGQZFZSC-UHFFFAOYSA-N 369.783 4.379 0 40 FIAB Cc1ccc(CC(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1 31967370 BSLPQGVINQGNIT-UHFFFAOYSA-N 359.351 4.381 0 40 FIAB CC(=O)c1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)n(C)c1 32796637 PYZKJXDZYOKZKZ-UHFFFAOYSA-N 364.367 4.051 0 40 FIAB COc1ccc(CC(=O)N(Cc2csc(C)n2)c2ccc(F)cc2)cc1 32935195 YHHIFYMQMPJZGB-UHFFFAOYSA-N 370.449 4.375 0 40 FIAB COc1ccc(CC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1F 49573838 CRPDVTGZWUELMG-SFHVURJKSA-N 369.440 4.157 0 40 FIAB CC(=O)Nc1cc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)ccc1F 54114677 WZJGWWZPWFEBJN-INIZCTEOSA-N 368.330 4.208 0 40 FIAB C[C@@H](c1ccccn1)N(C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)C1CC1 57049382 HANUXOZYSOXKDV-ZDUSSCGKSA-N 366.852 4.491 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C(C)C)cc1 57383483 LTNUFKMUXOUMMM-FQEVSTJZSA-N 373.884 4.224 0 40 FIAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCCCc2ccccc21 58413153 ASDBTENLRVUYBN-UHFFFAOYSA-N 357.837 4.484 0 40 FIAB CCCCc1nc(Cl)c2n1Cc1ccc(Br)cc1C2=O 65734965 RBNJODIFPPEZMQ-UHFFFAOYSA-N 353.647 4.234 0 40 FIAB in-vitro O=C(Nc1cccc(-c2noc(O)n2)c1)c1cc2c(s1)CCCCC2 68297398 LMKLWPGCIWDJDG-UHFFFAOYSA-N 355.419 4.025 0 40 FIAB COc1c(C)cccc1[C@@H](O)c1nc(-c2ccncc2)cc2ncccc12 72391708 CAQCWVUKQZFXOW-OAQYLSRUSA-N 357.413 4.091 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N(c1nc(C)cs1)C1CC1 76040706 XHAVALJQQBEWJW-HNNXBMFYSA-N 356.491 4.466 0 40 FIAB O=C(CN1CCc2sccc2C1)N1C[C@@H]2CCCC[C@]21c1ccccc1 79103471 MIDSRSDROCVQOD-UGKGYDQZSA-N 366.530 4.034 0 40 FIAB CO[C@@H](C)c1nc(C)c(C(=O)N(C)c2ccc3nc(C)sc3c2)s1 81650391 LKOFHKVBEVWGJB-JTQLQIEISA-N 361.492 4.354 0 40 FIAB Cc1cc([C@@H](C)NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(C)o1 84081653 MODRKGKZTZFKFS-GFCCVEGCSA-N 360.841 4.168 0 40 FIAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F 84563646 BAZPOPNSYQSCME-DOTOQJQBSA-N 353.372 4.201 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-n2cccc2)cc1 84606468 RBKFBWIPBKVECV-NHCUHLMSSA-N 364.420 4.267 0 40 FIAB O=C(Nc1n[nH]c2c(Cl)cccc12)c1csc(Br)c1 89800177 WOFFINGCBNPJTP-UHFFFAOYSA-N 356.632 4.293 0 40 FIAB O=C(O)Cc1sc(N2CCCCCC2)nc1-c1ccc(Cl)cc1 95097148 GMNRSTRRHJHISE-UHFFFAOYSA-N 350.871 4.471 0 40 FIAB CCCCN(C)C(=O)c1ccn(-c2ccc3ccc(-c4ccncc4)cn23)n1 96038093 XKHBFOZIXXJYIT-UHFFFAOYSA-N 373.460 4.059 0 40 FIAB O=C(COc1ccccc1)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117894 PFGOSDKLSCHLQB-QGZVFWFLSA-N 354.837 4.394 0 40 FIAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 101275820 LLYCMVINQXNGSZ-MRXNPFEDSA-N 363.244 4.300 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 102520416 XQZSITUXVFULFY-SQXWHWBNSA-N 357.538 4.342 0 40 FIAB CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCC)nn32)cc1 102681165 YBWUGBFDGQDFCK-QGZVFWFLSA-N 370.478 4.460 0 40 FIAB O=C(NC[C@H]1CCOc2ccccc21)N[C@H]1CCOc2c(Cl)cccc21 108886852 VFOVMCHNJGRFSB-DYVFJYSZSA-N 372.852 4.029 0 40 FIAB CCCC[Sn](CCCC)(CCCC)n1cncn1 195775814 DGYNCAVWPOMYSI-UHFFFAOYSA-N 358.118 4.472 0 40 FIAB O=C(O)/C(=C/c1ccc(Br)o1)Sc1nc2ccccc2o1 211504065 UJNOOQBBFDDPQK-XFFZJAGNSA-N 366.192 4.401 0 40 FIAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(F)cc1 216824093 BQDZHKQOSCBYAD-UHFFFAOYSA-N 363.776 4.089 0 40 FIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)c(O)c(C)c3)N21 222654209 BMPKATLNICCAHK-RYQLBKOJSA-N 353.491 4.383 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225695013 HHKYWICSJIKDOZ-UGSOOPFHSA-N 357.878 4.288 0 40 FIAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2c(Cl)cccc21 225828159 VTTOJDFICHGCQI-UHFFFAOYSA-N 370.836 4.372 0 40 FIAB CCOC(=O)COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225930996 ISKHPTOBWZFJHP-UHFFFAOYSA-N 367.445 4.079 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)C1 260848806 QOJUVIMOTMPAFJ-OALUTQOASA-N 350.506 4.452 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)NC1(c2cccs2)CCCC1 390826989 DIDBGVQPDKSKRJ-UHFFFAOYSA-N 355.912 4.290 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c1 408706338 DCMYVOBABONPAR-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](Oc2ccncc2Cl)C1 575607627 VKLPUZUEKIZVCP-CYBMUJFWSA-N 370.758 4.047 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CCCc3nc(C)sc32)c(C)c1 600783471 KHRZEHDOVAJQGB-INIZCTEOSA-N 364.536 4.075 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 682197 JCCUXRMOHOOPPQ-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(C)c1 683166 SCXKIVBHALERDI-UHFFFAOYSA-N 372.465 4.119 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 710647 KVYSGXSYLOSIRS-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cccc(Cl)c1 849775 HRJPMEAENISKTQ-UHFFFAOYSA-N 359.838 4.045 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccco2)c(C)c1 1142772 CEQFPMGERKZNPV-ATVHPVEESA-N 366.442 4.368 0 40 FIAB CC(=O)OC[C@]12CO[C@H](c3ccc(OC(C)=O)cc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 2134603 RJNYTRPEECCIOJ-VJELNIDOSA-N 372.461 4.081 0 40 FIAB biogenic O=C(c1ccc(Br)cc1F)c1ccccc1CN1CC=CC1 2515906 KHXPQVXQNVTUFZ-UHFFFAOYSA-N 360.226 4.191 0 40 FIAB Cc1cccc(OC(=O)NC[C@H](C)OC(=O)Nc2cc(C)ccc2C)c1 3087654 KBPKWHHUBHRBNR-INIZCTEOSA-N 356.422 4.337 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)CSCC(=O)O)cc3)sc2c1 3236271 MQQFJMVHDJKHLK-UHFFFAOYSA-N 372.471 4.028 0 40 FIAB Cc1ccccc1OC[C@@H](O)CN(Cc1ccccc1)Cc1ccco1 3384429 UTGOQXNLNILSOL-FQEVSTJZSA-N 351.446 4.030 0 40 FIAB CN(CC(=O)NCc1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 3588229 BAOSIFFIPLECBA-UHFFFAOYSA-N 371.695 4.395 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816635 UVRPRLGPTPWTBL-ROUUACIJSA-N 352.825 4.019 0 40 FIAB COc1ccc(OC)c(-c2nc(Nc3ccccc3)sc2CC(=O)O)c1 5570111 JFZLVUREGFWAQP-UHFFFAOYSA-N 370.430 4.198 0 40 FIAB Cc1cccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1 6067710 OXCCZIQAYHBDGP-QGZVFWFLSA-N 366.486 4.176 0 40 FIAB COc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)c(OC)c1 6789350 NCAYGOVAWNWZNO-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2c(s1)CCCC2 6850033 YVHYPOOIOXWHRF-UHFFFAOYSA-N 357.475 4.060 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1ccc(Cn2nnc3ccccc32)cc1 7071645 BXRBOZMPULOXDE-UHFFFAOYSA-N 362.820 4.385 0 40 FIAB CCCn1nnnc1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 7263415 GPFBNGLMKASVIB-UHFFFAOYSA-N 352.225 4.262 0 40 FIAB COc1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1F 7361205 IKXUCYAWEFGVCB-UHFFFAOYSA-N 373.405 4.427 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)cc2c1C 7974065 NASHSEJHKKPNJM-HNNXBMFYSA-N 356.466 4.121 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(Br)c(Cl)c2)c1 8108257 OTNRTYNZSFQBMV-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1 8903596 GTPLCXLXXLWNIE-UHFFFAOYSA-N 358.394 4.253 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2ccccc2)n1 8986780 HDYGNXNFPSBHRM-CQSZACIVSA-N 352.459 4.239 0 40 FIAB CC(=O)N(c1ccccc1)[C@@H](c1ccccc1)c1nc2ccccc2[nH]c1=O 9360039 LWTJESRHHCVYEK-QFIPXVFZSA-N 369.424 4.066 0 40 FIAB COc1cc(Cl)c(NC(=O)c2ccc(-n3cccc3)cc2)cc1OC 10592397 QICMSUMNQWPHNS-UHFFFAOYSA-N 356.809 4.400 0 40 FIAB O=C(NCCCCOc1ccc(F)cc1)c1ccccc1Br 12392609 HSEWSQFWDLYHKB-UHFFFAOYSA-N 366.230 4.177 0 40 FIAB CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCCO)cc1 12411704 HQTBGIAWFGYOSX-XDOYNYLZSA-N 372.465 4.369 0 40 FIAB CC[C@H](C)[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 12799615 KNIONYAIEHOMRA-MGPUTAFESA-N 350.462 4.347 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(Br)ccc1Cl 13169656 KFBAJMJPYCIWJE-UHFFFAOYSA-N 368.614 4.361 0 40 FIAB CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13540543 VPGRYOFKCNULNK-IYDLXWBISA-N 372.505 4.267 0 40 FIAB biogenic O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(Cc1ccccn1)C3 13721604 QVGWRTJXNXWQTN-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N1CCc2ccccc2C1 14095913 AWZZZWYLJUNLMI-SFHVURJKSA-N 363.505 4.062 0 40 FIAB COc1ccccc1CNC(=O)N[C@@H](c1ccccc1)c1cccs1 14142080 BIDUXEILEDYWSL-IBGZPJMESA-N 352.459 4.346 0 40 FIAB COc1cccc(NC(=O)CN[C@H](C)c2cccc(C(F)(F)F)c2)c1 14241373 FCETVDKRAMIBII-GFCCVEGCSA-N 352.356 4.003 0 40 FIAB COc1ccc(-c2nn3c(-c4cc(Cl)ccc4OC)nnc3s2)cc1 15083127 HYYXQSMKGLJSRA-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 15411624 ZWDJEFNXPWDIOV-UHFFFAOYSA-N 357.624 4.015 0 40 FIAB COc1ccc(CNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 16953776 XWUPVQOBOFSSMY-UHFFFAOYSA-N 365.824 4.090 0 40 FIAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 17656891 VFPDOKQUEKGDJE-KRWDZBQOSA-N 367.474 4.438 0 40 FIAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 19943206 BILOSLUIQRVGCY-GJZGRUSLSA-N 353.528 4.149 0 40 FIAB Cc1ccsc1C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 21209262 GSJIJHXESFPZEO-UHFFFAOYSA-N 355.419 4.224 0 40 FIAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1Cl 21918135 LIWWXNCWZSSTSW-UHFFFAOYSA-N 370.758 4.070 0 40 FIAB O=C(CNc1ccccc1OC(F)(F)F)N[C@@H]1CCCc2ccccc21 22811714 JZGALFBXGPXOKO-OAHLLOKOSA-N 364.367 4.191 0 40 FIAB CC(C)(C)c1nc(CSc2nnc(C3CC3)n2Cc2ccccc2)no1 23055458 UKPNXUDVHHHXSQ-UHFFFAOYSA-N 369.494 4.177 0 40 FIAB Cc1nc(NC(=O)c2ccco2)sc1-c1nc(-c2ccc(F)cc2)no1 32088073 HJTWYUUKHUTNQG-UHFFFAOYSA-N 370.365 4.153 0 40 FIAB CCOc1cccc2cc([C@H](C)NC(=O)c3cccc(N(C)C)c3)oc12 32744952 OEKQWNCPOUMDLO-AWEZNQCLSA-N 352.434 4.389 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCCOc2ccc(F)cc2)cc1 32772091 YQQKENSGIGUFPQ-CQSZACIVSA-N 361.438 4.168 0 40 FIAB O=C(CCCSc1ccccc1)Nc1ccc(C(=O)NC2CC2)cc1 32869244 QPQVJQXTHWHENW-UHFFFAOYSA-N 354.475 4.090 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)Nc3nc4c(C)cccc4s3)cc2c1 32906237 SWKHMQNAIHEFJU-UHFFFAOYSA-N 367.430 4.356 0 40 FIAB COc1cccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1 35314104 OYJZGFRJNQYDSJ-UHFFFAOYSA-N 367.474 4.413 0 40 FIAB Cc1csc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1 36398175 VTBOUWCYASGJET-UHFFFAOYSA-N 365.817 4.137 0 40 FIAB O=C(OCc1cc(-c2cccs2)on1)c1cc(-c2ccc(F)cc2)n[nH]1 38767059 STAYUHSSVLIJCC-UHFFFAOYSA-N 369.377 4.289 0 40 FIAB CCc1nnsc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 39980563 KMQJXHXXPZUKFN-UHFFFAOYSA-N 364.883 4.054 0 40 FIAB Cn1ccnc1[C@H](NC(=O)NC1CCCCCCC1)c1ccc(F)cc1 40071886 JCRMKUIMETWABZ-GOSISDBHSA-N 358.461 4.061 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1Cl)c1ccsc1 40097536 WTWCTYJXNUTQSH-ZDUSSCGKSA-N 358.294 4.479 0 40 FIAB O=C(CCOc1ccccc1)N(Cc1cccnc1)c1ccc(F)cc1 41368346 WWLAAMSMIYWPHZ-UHFFFAOYSA-N 350.393 4.223 0 40 FIAB Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(Cl)cc2Cl)s1 42317462 OLABJMASZHJQSS-UHFFFAOYSA-N 350.248 4.057 0 40 FIAB CC[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1cc(C)on1 48346212 DTGVFFMIEPEPLS-CYBMUJFWSA-N 364.858 4.033 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1OC 49548494 RPMOFCWGTSCOIE-INIZCTEOSA-N 363.417 4.072 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1ccc2[nH]c(C)c(C)c2c1 51853601 DPPGDLDLLPBYAX-UHFFFAOYSA-N 350.418 4.014 0 40 FIAB CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 52530347 YIDXBWFTQDFDLB-IAGOWNOFSA-N 362.256 4.237 0 40 FIAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)C1=COCCO1 55817212 WBWGTWDNSUZTKM-QGZVFWFLSA-N 364.228 4.087 0 40 FIAB O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1c(F)cccc1F 70970695 AQMIFYIEGOJJMX-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB CCc1nccn1-c1cccc(C2CCN(Cc3ccc(F)cc3)CC2)n1 72378646 ITUUNKHKYCIFPH-UHFFFAOYSA-N 364.468 4.348 0 40 FIAB COc1ccc(NC(C)=O)c(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 84796821 MXYKCMFDSFDZRQ-UHFFFAOYSA-N 372.424 4.477 0 40 FIAB CCCCOc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OC 89954812 YPZCEQLRPSVXMW-SFQUDFHCSA-N 369.392 4.358 0 40 FIAB O[C@@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)Cc2ccccc21 95467610 XYPLALSQHLXQPM-OAQYLSRUSA-N 368.440 4.136 0 40 FIAB COc1ccc(-n2cnc3c2[C@@H](c2ccc(O)cc2)SCC(O)=N3)cc1 95474504 VHSKZBDBDIZHJS-GOSISDBHSA-N 367.430 4.011 0 40 FIAB CO[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(F)c1 96388241 RPROQKGHMATNRY-KRWDZBQOSA-N 365.832 4.140 0 40 FIAB CC1=C(C(=S)Nc2cccc(Cl)c2)[C@H](c2ccccc2)NC(=O)N1 100858000 QDPYDLJOMQWGGN-INIZCTEOSA-N 357.866 4.407 0 40 FIAB Cc1ccc(C2=C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1 102060974 QNUBXTHPQVLIAQ-MRXNPFEDSA-N 354.360 4.244 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@H](c2ccccc2O)C1 102607502 XFJVJPAREWWFOH-XOBRGWDASA-N 358.401 4.049 0 40 FIAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)c(C)c2c1 104116982 KGMRGTIYOBTQRE-UMVBOHGHSA-N 373.449 4.085 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(C(C)C)cc1 219508083 PJKUTYMGQYJUPD-QGZVFWFLSA-N 355.478 4.335 0 40 FIAB COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(C)o2)cn1 223907865 XUXWOBGDFDFVSU-UHFFFAOYSA-N 369.446 4.271 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(CN2CCCC2)c1 224623875 UVCJKRJZCJTMKE-NRFANRHFSA-N 366.505 4.065 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1C 225176945 AHQMCRBYRQDHQH-GOSISDBHSA-N 367.489 4.145 0 40 FIAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccc(OC)cc2)c1 225336634 ITXGRUPTLQTCME-NRFANRHFSA-N 355.478 4.294 0 40 FIAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCC[C@H]1C 245228144 GOBNLEVBNFDLID-SUNKGSAMSA-N 358.265 4.234 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1O 409410950 BCHWKLCESNLCJA-UHFFFAOYSA-N 350.852 4.386 0 40 FIAB O=C(Nc1cccc2c1CCCC2)N[C@@H]1CCO[C@H](c2ccncc2)C1 566544900 WIWORPZISCZIMJ-XLIONFOSSA-N 351.450 4.002 0 40 FIAB O[C@]1(COc2ccccc2F)CCCN(Cc2ccc3[nH]ccc3c2)CC1 585271327 WVEJGCLUKIIZRJ-JOCHJYFZSA-N 368.452 4.103 0 40 FIAB Cc1ccc(CNC(=O)N2CC3(C2)CC3(F)F)c(O[C@H](C)CC(C)C)c1 654488519 WILCASGCSFYWEL-OAHLLOKOSA-N 366.452 4.359 0 40 FIAB Cc1cccc(C)c1CCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 1312238294 XCFHGHSGIGJSHI-GOSISDBHSA-N 362.477 4.092 0 40 FIAB CCNC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 875491 NXXLRKCEXKUIEY-UHFFFAOYSA-N 371.550 4.174 0 40 FIAB CCc1ccc2nc3sc(C(=O)NCc4ccco4)c(N)c3cc2c1 1342802 YAQGHTDKNAGGBY-UHFFFAOYSA-N 351.431 4.117 0 40 FIAB CC(C)(C)c1cc(CCC(=O)Nc2ccc(Cl)cc2Cl)nc(N)n1 1622492 DABYIAUPLKGONB-UHFFFAOYSA-N 367.280 4.234 0 40 FIAB CCN(CC)c1ccc(CCc2ccc(N(CC)CC)cc2N)c(N)c1 1665870 MBNOUYQICAVQDM-UHFFFAOYSA-N 354.542 4.329 0 40 FIAB COc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)N3N=NNC3=N2)cc1 2236522 MDZOLPICPXNBKD-HNNXBMFYSA-N 357.776 4.127 0 40 FIAB O=C1c2ccc(Br)cc2C(=O)N1c1cccc2ccccc12 3150095 PKPPGZPEUPJIOR-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccccc1 3304167 HTBQDTGPWILDGT-JOCHJYFZSA-N 361.489 4.079 0 40 FIAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NCc1ccccc1 3352152 PIFKHQLWDCGEIX-UHFFFAOYSA-N 360.788 4.162 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 3566672 QVBIUESZSHOREK-UHFFFAOYSA-N 353.340 4.294 0 40 FIAB CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2 3892416 WLZCPFLNFVKKDY-UHFFFAOYSA-N 365.886 4.056 0 40 FIAB aggregator Cc1cc(C)c(S(=O)(=O)N[C@H](C)C2C3CC4CC(C3)CC2C4)c(C)c1 4134566 VJQINVIEUVQMCT-YDGYHQHPSA-N 361.551 4.351 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(Cl)cc1Cl)C(=O)O 4241088 RTAALXHRKJFITN-QGZVFWFLSA-N 374.264 4.390 0 40 FIAB Clc1cc2c(c(CSc3nnc(-c4ccco4)o3)c1)OCOC2 4828462 NFQNRFTVHLKJGI-UHFFFAOYSA-N 350.783 4.142 0 40 FIAB CC(=O)OC1(c2nccc3ccccc23)CCN(Cc2ccccc2)CC1 5389709 ZXCNKOFMCKDVGP-UHFFFAOYSA-N 360.457 4.289 0 40 FIAB CCC(=O)Nc1ccc(C2=NN=C(Nc3ccccc3F)SC2)cc1 5890319 WOJGDOPWDSFBFI-UHFFFAOYSA-N 356.426 4.093 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(C(F)(F)F)c2)c1C 6595121 QVWZTWISHGSLTC-UHFFFAOYSA-N 369.339 4.184 0 40 FIAB Clc1ccccc1Cn1ncc2c(NCCc3ccccc3)ncnc21 6759990 GXDKTATZLCLDGA-UHFFFAOYSA-N 363.852 4.183 0 40 FIAB O=c1oc2ccc(Br)cc2cc1-c1nc(-c2ccccc2)no1 6816621 ATHYLBKHXVVIAQ-UHFFFAOYSA-N 369.174 4.273 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 6879988 KCZHBNFJCRFMEA-UHFFFAOYSA-N 370.518 4.315 0 40 FIAB Cc1cccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1 6997623 WUWWWPWMTNFAOO-UHFFFAOYSA-N 365.454 4.422 0 40 FIAB Cc1cc(C)n(-c2ccc(COC(=O)c3ccc4ccccc4n3)cc2)n1 7777164 LQEWSBCSTWQFJZ-UHFFFAOYSA-N 357.413 4.394 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccnn2Cc2cccs2)c1 7793946 PSFYTZFDGOBETD-UHFFFAOYSA-N 369.490 4.442 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 8288983 KSWKMVSZQYILAQ-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB Cc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n1C 8704162 JIOOKODOBVRIME-UHFFFAOYSA-N 370.456 4.116 0 40 FIAB Cc1nc(Nc2nc3ccccc3o2)ncc1C(=O)N(C)C1CCCCC1 9937561 SHRXEOGOLZIZAA-UHFFFAOYSA-N 365.437 4.075 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1cccc(Cl)c1)O[C@@H](C)C2 11230065 FJPZUDMDBCGIPI-LBPRGKRZSA-N 361.825 4.080 0 40 FIAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccccc1F 12084986 CQSZWLFBIYGAJC-NSHDSACASA-N 365.330 4.013 0 40 FIAB COc1ccccc1/C=C/CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 12293097 DEANCGHOCFBBKD-CTXCVUGRSA-N 367.464 4.362 0 40 FIAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)C1 12553822 UOFVEGZDQKZFPV-MRXNPFEDSA-N 367.449 4.237 0 40 FIAB O=C([C@@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1)N1CCCC1 12794172 NUTWLMSUYROVEI-OALUTQOASA-N 370.493 4.316 0 40 FIAB Cc1ccc(OCc2nc(C)c(C(=O)NCc3ccccc3F)s2)cc1 12866030 PDCSOJBEUKQCTG-UHFFFAOYSA-N 370.449 4.408 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1 12893314 COSLKTXGRNFATP-UHFFFAOYSA-N 374.412 4.490 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1nn(-c2ccccc2)c2c1CCC2 12983662 FJBDJDCHMHNZHI-UHFFFAOYSA-N 355.800 4.406 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cnc2c(cnn2C(C)C)c1 13009197 YBSPJFZVLSZKRG-INIZCTEOSA-N 350.466 4.453 0 40 FIAB Fc1cccc(CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)c1 13989729 AMJAHIYNLORIIB-UHFFFAOYSA-N 350.393 4.152 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 14072369 OXPLJLSDVVUNFG-GFCCVEGCSA-N 374.362 4.009 0 40 FIAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1 14200610 SCCFDRZYULQGFS-UHFFFAOYSA-N 367.449 4.153 0 40 FIAB O=C(COc1ccc(C2SCCCS2)cc1)NCCc1ccccc1 14244099 QGUPSXHGILLHOM-UHFFFAOYSA-N 373.543 4.293 0 40 FIAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1 16024082 ALORAJDSJLSZLI-APWZRJJASA-N 358.441 4.070 0 40 FIAB CN(C)C(=O)CSc1nc(Nc2ccccc2Cl)c2ccccc2n1 16452651 MHLIIPCLRAGIPN-UHFFFAOYSA-N 372.881 4.207 0 40 FIAB Oc1ccc(Br)cc1-c1nc2cnccn2c1NC1CCCC1 18118914 YXESZWPCZZYGIK-UHFFFAOYSA-N 373.254 4.219 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2oc3ccc(F)cc3c2C)c1 18204523 GJJRWWAMWNQBHV-LBPRGKRZSA-N 357.381 4.389 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCCC2=O)cc1 20107530 GPNWGSIZMNAVFK-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB CCOc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 20107628 CKJNOFWQTGUZIL-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2Cl)cc1OC 20493404 SDWMGQRAKIJYGA-UHFFFAOYSA-N 354.233 4.283 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)o1 23473482 SYFFRXRXKNIELG-UHFFFAOYSA-N 357.413 4.371 0 40 FIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1=Cc2ccccc2OC1 24134773 OZVVXOWWXADINU-UHFFFAOYSA-N 362.351 4.186 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[C@@H]1Sc2ccccc2NC1=O 27233078 CRFCTKRDHJPMKZ-ZBEGNZNMSA-N 360.866 4.336 0 40 FIAB CCCCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)(C)C 27823484 YRPRGFRHCBPRPQ-UHFFFAOYSA-N 365.495 4.235 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 28232855 KELIUVSKSWQBBV-HNNXBMFYSA-N 359.495 4.258 0 40 FIAB Cc1cc(Br)cc(C)c1OCC(=O)N[C@H](C)c1cccs1 28284417 CYFZCELNOXZSKJ-GFCCVEGCSA-N 368.296 4.384 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 29478339 JLTYRDUPDDHOJM-OAQYLSRUSA-N 369.509 4.071 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 30552015 AEGJBBRWQKJHMS-GOSISDBHSA-N 368.546 4.470 0 40 FIAB CCn1ncc2c(C(=O)Nc3ccn(C(C)C)n3)cc(-c3ccccc3)nc21 36616213 KTDKHUKSQQKJLX-UHFFFAOYSA-N 374.448 4.148 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3c(C)nn(C)c3n2)cc1 36616395 VTJAIRLADJOSLB-HNNXBMFYSA-N 362.477 4.267 0 40 FIAB Cc1cc(C(=O)Nc2nccs2)c2c(-c3ccccc3F)noc2n1 36618399 YYAFFIYMPXHZFG-UHFFFAOYSA-N 354.366 4.046 0 40 FIAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3cccnc3)[C@H]1[C@H]2C 38550098 BPMYDYKKXHFZDO-HGNHLGAKSA-N 358.482 4.122 0 40 FIAB biogenic COc1cccc2cc(C(=O)NCc3cc(-c4cccs4)on3)oc12 38753908 KPXOFTWJWOZNTJ-UHFFFAOYSA-N 354.387 4.088 0 40 FIAB COC(=O)c1c(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)sc(C)c1C 40140503 GTENEBYLYCHYGI-QWRGUYRKSA-N 363.401 4.459 0 40 FIAB CCCN(CCC)C(=O)c1ccc(NC(=O)N[C@@H](C)c2ccccn2)cc1 47599144 BKSSGNWAFQSAMV-INIZCTEOSA-N 368.481 4.227 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@H]1C[C@H]1c1ccccc1Cl 51411685 LOCYRPXJUGQORX-HOTGVXAUSA-N 351.837 4.150 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1OC 57315981 BGKZTALALIPYLI-ZDUSSCGKSA-N 372.490 4.344 0 40 FIAB O=C(Nc1ccc(CN2CCSCC2)cc1)c1cc(Cl)ccc1F 58310734 RDNHQXVLROKSSY-UHFFFAOYSA-N 364.873 4.280 0 40 FIAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 70639973 IUJRKUZUPAFEJC-AFRKLYKTSA-N 367.411 4.071 0 40 FIAB Cc1cc(N[C@H](c2ccc(F)cc2)c2ccccc2Cl)n2ncnc2n1 71811728 CCCFZIPNXGJTPD-GOSISDBHSA-N 367.815 4.427 0 40 FIAB Fc1ccc(Cc2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)cc1 71889874 XIPUXOXGZYVYKO-UHFFFAOYSA-N 356.372 4.035 0 40 FIAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCCC1 72229330 SIMULYZOOKCQMD-UHFFFAOYSA-N 350.249 4.428 0 40 FIAB C[C@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)C[C@@H](c2ccccc2)O1 72289354 MKPJZKCXKKGNQF-SJCJKPOMSA-N 354.431 4.093 0 40 FIAB CCN(Cc1ccccn1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 79053644 JNSLYPIYLNQRKN-UHFFFAOYSA-N 373.456 4.021 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc(Br)cc3)n[nH]2)cc1OC 85384391 MXLVBMDDEPFRAN-UHFFFAOYSA-N 374.238 4.309 0 40 FIAB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NNc1ccc(C)c(C)c1 95471507 ITUUREDQNXLZMS-WQRHYEAKSA-N 354.841 4.180 0 40 FIAB CCOc1c(Cl)cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OC 96634977 NWYIAHKRZCSLBK-MHWRWJLKSA-N 371.820 4.400 0 40 FIAB Fc1ccc(C2=C[C@H](c3cccc(C(F)(F)F)c3)n3ncnc3N2)cc1 102170756 ZWOZBXQQMCDUPT-MRXNPFEDSA-N 360.314 4.492 0 40 FIAB Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(O)C[C@@H](c3ccco3)CC1=N2 102680390 CYFLSBXSZFQLJJ-ORAYPTAESA-N 364.380 4.384 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1C 103716873 ILGRXEKDNWQFSZ-KRWDZBQOSA-N 366.461 4.082 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(C)c1 223769191 PZAZDWBZLCJTNM-HNAYVOBHSA-N 357.450 4.047 0 40 FIAB COc1ccc(-c2nnsc2C(=O)OCc2cccc(Cl)c2)cc1 223838496 KHHNJKCTPXOSBG-UHFFFAOYSA-N 360.822 4.224 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)c(C)c1 224442282 FUHOQDDNLDTZGH-SFHVURJKSA-N 361.869 4.309 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1nnc(SC(C)C)s1 224878134 PABNWKPRNUHAPJ-UHFFFAOYSA-N 359.476 4.453 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 224937577 POCWGZRONXSEEU-UHFFFAOYSA-N 364.533 4.345 0 40 FIAB Cc1cccc(NC(=O)c2ccc(C)cc2I)c1 225009164 KYZLWNPNLBFSPS-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CCc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1 225456736 NIUODNAICSBVJE-UHFFFAOYSA-N 350.491 4.230 0 40 FIAB COc1cccc(CC(=O)Nc2cc3nc(-c4ccccc4)oc3nc2C)c1 225625356 NPHLQCIGFGABQS-UHFFFAOYSA-N 373.412 4.388 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)N1CCC(Cc2ccccc2)CC1 409234943 BCPWPPSDMVDHTC-VAWYXSNFSA-N 365.473 4.198 0 40 FIAB Cc1nn([C@H](C)CC(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c(C)c1C 409412798 GNHJNBGJOMDYSY-OEXVSUGTSA-N 365.521 4.458 0 40 FIAB C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cccnc1C(F)(F)F 530146926 JWJDVHPKBAEGLJ-SNVBAGLBSA-N 363.788 4.430 0 40 FIAB Cc1cc(Br)c(O)c(NC(=O)c2coc(C3CCCC3)n2)c1 555245704 OTXYZLNIWYIWCB-UHFFFAOYSA-N 365.227 4.361 0 40 FIAB O=C(Nc1ccc2ccoc2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 558418685 AHUZOGMKMHCDFZ-AQNXPRMDSA-N 362.429 4.469 0 40 FIAB CSc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 575611570 WUPXIXDKKRLPIB-CQSZACIVSA-N 359.472 4.193 0 40 FIAB C[C@@H](C(=O)Nc1c(-c2ccccc2)ncn1C)[C@H]1OCCc2sccc21 585139594 FPFIOLWGALBMFG-FZKQIMNGSA-N 367.474 4.037 0 40 FIAB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)NCc2ncc(C(C)(C)C)o2)cc1 673777671 UBNRIACJHOSGCB-VQIMIIECSA-N 371.481 4.000 0 40 FIAB c1cc(-c2cnc3nc(C4CCN(C[C@@H]5CCCO5)CC4)ccc3c2)ccn1 2086896513 GLJDFOOPMWPBCZ-NRFANRHFSA-N 374.488 4.050 0 40 FIAB COc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 2523403 ROBCAWURJMJCME-UHFFFAOYSA-N 352.459 4.325 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1C 849773 BVYMPFSVRHQYLM-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl 1960625 JPXXSWPVQJVYDI-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1CCC(C)C 2646302 OBVWJUWSDPCDRH-UHFFFAOYSA-N 356.495 4.169 0 40 FIAB COc1cccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)c1 3604229 YIRXBPDBACTBNQ-UHFFFAOYSA-N 359.476 4.048 0 40 FIAB CCOC(=O)c1ccc(Nc2nc(C)nc3sc4c(c23)CCC4)cc1 2637192 WZCXNSVSSIBLMT-UHFFFAOYSA-N 353.447 4.409 0 40 FIAB CCCCn1c(SCC(=O)c2ccccc2F)nnc1-c1ccco1 4861117 AYYDONBQNMXEOM-UHFFFAOYSA-N 359.426 4.452 0 40 FIAB Cc1cc(NC(=S)NCc2ccc(F)cc2)ccc1Br 7351396 KPXRASSIARDTPZ-UHFFFAOYSA-N 353.260 4.383 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@@H](c2ccc(F)cc2)C1 102656401 ZXCVVLKODHJKBJ-QRWLVFNGSA-N 360.392 4.482 0 40 FIAB COc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1OCc1cccnc1 32922910 GKMHIEBURYLFOW-UHFFFAOYSA-N 366.392 4.369 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSc1ccc(C)cc1 8478521 RDGRTYUERRYQHP-QGZVFWFLSA-N 359.491 4.070 0 40 FIAB Cc1cc(OCCCC(=O)N(Cc2cccnc2)C2CC2)ccc1Cl 61074069 UYGVBSGOUJJVQV-UHFFFAOYSA-N 358.869 4.394 0 40 FIAB Fc1ccc([C@@H]2C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1 2918054 VSBYDXANMWTLTP-GJZGRUSLSA-N 360.339 4.165 0 40 FIAB COc1ccc2oc(=O)c(-c3nnc(-c4ccccc4Cl)o3)cc2c1 846023 FQEOPBVXISJCOZ-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc2c(F)cccc2s1 23151804 CONNELJXYCJKMX-UHFFFAOYSA-N 368.433 4.415 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1CCCOc2ccc(F)cc21 54382434 ABBXAAXQBRJQIC-INIZCTEOSA-N 372.396 4.022 0 40 FIAB O=S1(=O)C=C(SCc2c(F)cccc2Cl)Nc2ccccc21 1406166 GTLGGCKHNSRRRC-UHFFFAOYSA-N 355.843 4.411 0 40 FIAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC(C(C)(C)C)CC2)N1 34872259 KBOKYBBTCCFDJH-PYGWLIJMSA-N 354.494 4.287 0 40 FIAB Cc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 1786145 SCOJJIMUYNJXKF-UHFFFAOYSA-N 361.228 4.080 0 40 FIAB O=C(Nc1cccc2c1CCCC2)c1cccnc1OCC(F)(F)F 58378092 PJVSGFLJIPVAFT-UHFFFAOYSA-N 350.340 4.154 0 40 FIAB CC(C)c1nnc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)s1 12779631 APUMHELQMHQOPQ-UHFFFAOYSA-N 370.482 4.117 0 40 FIAB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(CC)cc1)N1CCCC1 28403352 VOEARVVHDZFBKD-NRFANRHFSA-N 366.505 4.215 0 40 FIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)cc1 12763431 GJBQKUDDEBQHSZ-UHFFFAOYSA-N 354.207 4.158 0 40 FIAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 2446894 NGNDDZOXYWINPU-UHFFFAOYSA-N 366.490 4.336 0 40 FIAB CCCOc1ccc(CN(CCC)C(=O)Nc2cc(C)on2)cc1OC 12821623 NAOLAPAERNPVJK-UHFFFAOYSA-N 361.442 4.225 0 40 FIAB O=C(NCCCOCC(F)(F)F)c1sc2cc(F)ccc2c1Cl 12974601 HAPXTMKUOLNOBM-UHFFFAOYSA-N 369.767 4.393 0 40 FIAB C[C@H]1Oc2c(C(=O)NCc3ccccc3CN3CCCC3)cccc2[C@H]1C 8389191 RPJZVWPRBTXCKE-DLBZAZTESA-N 364.489 4.097 0 40 FIAB Brc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1 13723199 ICQHVQMQOUJMBJ-UHFFFAOYSA-N 357.236 4.282 0 40 FIAB COc1ccccc1NC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 8425152 ZTOATIZNBQUQMQ-UHFFFAOYSA-N 350.422 4.415 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCc1ccccc1Cl 6102508 LUAHLCGOFZNEQX-UHFFFAOYSA-N 366.273 4.278 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(N2CCCCCC2)cc1 5245352 OESLYXIEBRINDU-UHFFFAOYSA-N 366.461 4.019 0 40 FIAB CC[C@H](NC(=O)N1CCC[C@H](c2nc(C)no2)C1)c1cccc(Cl)c1 65564647 CTVWMLMUWCWGEF-HOCLYGCPSA-N 362.861 4.072 0 40 FIAB COc1ccc(-c2nnc3sc(/C=C/c4ccccc4OC)nn23)cc1 5345182 RPPQPDLPPODEMV-FMIVXFBMSA-N 364.430 4.040 0 40 FIAB C[S@](=O)c1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 5377794 ISCGHXAFXWZWEF-XMMPIXPASA-N 352.337 4.160 0 40 FIAB CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc2c1CCCC2 4539921 FZISQKCMUUTHEA-UHFFFAOYSA-N 361.463 4.276 0 40 FIAB CCN(CC)C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978583 MYPLJAVPVDKHGN-UHFFFAOYSA-N 359.433 4.102 0 40 FIAB CCO[P@@]1(=O)C(CCO)=CN(c2ccccc2)N=C1c1ccccc1 4889045 OLKSHWDLFRGTHI-VWLOTQADSA-N 356.362 4.407 0 40 FIAB COCCCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 23175165 CWFNERNKYYHQQB-UHFFFAOYSA-N 372.515 4.355 0 40 FIAB Clc1cccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)c1 7435044 UEIDWSLLOXFOEF-UHFFFAOYSA-N 359.882 4.379 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 7653146 SFLJBEIUFUHVBQ-CHWSQXEVSA-N 360.454 4.142 0 40 FIAB COc1ccc(CCNC(=S)Nc2cc(C)c(Cl)cc2OC)cc1 8071753 MYQRKAYITCNARA-UHFFFAOYSA-N 364.898 4.195 0 40 FIAB CCCn1c(NC(=O)c2cncn2-c2ccc(F)cc2)nc2ccccc21 19623218 DAEXMWPNSSPMKR-UHFFFAOYSA-N 363.396 4.023 0 40 FIAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)CC)cc1 9360141 JUHQOXYVYCMELF-UHFFFAOYSA-N 364.445 4.178 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 9313847 IAMPEBYPWAYFOB-ZDUSSCGKSA-N 370.453 4.145 0 40 FIAB O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CC(c2ccccc2)=NO1 71843906 JCRIEZLKXLDHCU-KRWDZBQOSA-N 370.499 4.297 0 40 FIAB Clc1ccc(-c2ccc(CN[C@@H]3CCCN(c4ncccn4)C3)o2)cc1 71810444 WBWBUDVKDGNGGP-QGZVFWFLSA-N 368.868 4.149 0 40 FIAB O=C(c1cn[nH]c1-c1cccs1)N1CCC(Cc2ccccc2)CC1 72328763 XSKWLSFPIFTKFW-UHFFFAOYSA-N 351.475 4.233 0 40 FIAB O=C1CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3C(F)(F)F)ccc2N1 84502155 GVKOVCIVEXWZDX-CABCVRRESA-N 374.362 4.332 0 40 FIAB O=C(/C=C/c1ccnc(Cl)c1)OCc1csc(Br)c1 89884774 PKBOEGMMMSUITO-OWOJBTEDSA-N 358.644 4.316 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1OC 20451090 PBJNIMUUSAPMHT-INIZCTEOSA-N 368.477 4.188 0 40 FIAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccccc3)c2)CC1 408721390 GSGWMRSPIDSONM-UHFFFAOYSA-N 354.475 4.335 0 40 FIAB C[C@H](NCCN(C)C)[C@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 36370929 OQLPSYJNZRYLOQ-BIBSNSOOSA-N 370.581 4.404 0 40 FIAB COc1ccc(Cl)c(NC(=O)c2nnn(-c3ccccc3)c2C(C)C)c1 36636105 CIKGDDFZUZZAMA-UHFFFAOYSA-N 370.840 4.305 0 40 FIAB CC(C)Oc1cncc(C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 513517932 KTFSVLMGFUCMKD-HNNXBMFYSA-N 356.388 4.064 0 40 FIAB COc1ccccc1[C@H]1C[C@@H](C)CCN1Cc1nccn1CC(F)(F)F 513717673 QOFBQILBYCANIQ-GOEBONIOSA-N 367.415 4.427 0 40 FIAB Cc1cccc2nc(C3CCN(C(=O)CO[C@H]4CCCC[C@@H]4C)CC3)oc12 548714639 VJWUKHPLONLVFK-KXBFYZLASA-N 370.493 4.438 0 40 FIAB Cc1ccnc(N2CCC[C@H](C(=O)Nc3ccccc3-c3ccccc3)C2)n1 35313371 JNIXBNUWWQKGJF-IBGZPJMESA-N 372.472 4.307 0 40 FIAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1nnc(C(F)(F)F)s1 524735747 WEOSBCWDWBPJCM-JTQLQIEISA-N 372.397 4.038 0 40 FIAB Cc1ccc(-c2nc(COC(=O)C3(c4ccc(Cl)cc4)CC3)no2)cc1 36803092 HVAKOCTWWIVZAF-UHFFFAOYSA-N 368.820 4.473 0 40 FIAB CCc1ccc(NC(=O)CSCc2cc(=O)c3cccc(C)c3[nH]2)cc1 33063968 QAEXDQIIZBBVJZ-UHFFFAOYSA-N 366.486 4.271 0 40 FIAB COc1ccc(C(=O)Sc2nnc(Cc3ccc(Cl)cc3)o2)cc1 33703749 SQYVBOYSLAJCPT-UHFFFAOYSA-N 360.822 4.255 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 40033493 MMRZWVBRDWZZJQ-GOSISDBHSA-N 368.452 4.208 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N[C@@H](C)CC 225310828 QRIZAFBHCCUTMU-NWDGAFQWSA-N 359.297 4.035 0 40 FIAB COc1cc(C=O)cc(CSC)c1OC(=O)c1cccc(Cl)c1 226288792 KFQGCWPEYOEDGG-UHFFFAOYSA-N 350.823 4.243 0 40 FIAB COc1cccc(NC(=O)NCCSCc2ccccc2Cl)c1 225759381 DNRMIOYRAWUHMK-UHFFFAOYSA-N 350.871 4.404 0 40 FIAB CCN(C(=O)c1onc(-c2ccc(OC)cc2)c1[C@H](C)O)C1CCCCC1 225428753 RLLFYTBSOCUSMT-AWEZNQCLSA-N 372.465 4.198 0 40 FIAB biogenic,in-vitro Cc1ccc(CCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44874478 UOTRIWLUUCWEGS-UHFFFAOYSA-N 350.506 4.230 0 40 FIAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOCC)cc2)CCC[C@H](C)C1 225664707 CNVNCQZYEJJIOG-UWJYYQICSA-N 363.498 4.416 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(OC)c3)nc2c1 226283780 JGXHMLYTUSRIHW-UHFFFAOYSA-N 364.323 4.419 0 40 FIAB COc1cccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 223384603 PNAXQYVDTSSLRE-JLHYYAGUSA-N 353.462 4.201 0 40 FIAB CC(=O)Nc1cccc(OCCN[C@@H]2CCc3cc(F)c(Cl)cc32)c1 527863445 KPGCNBAGYUKLFP-LJQANCHMSA-N 362.832 4.093 0 40 FIAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1ccccc1 225827238 GZYUXBOAUCWREC-UHFFFAOYSA-N 357.413 4.139 0 40 FIAB O=C(CCc1cccc2ccccc12)NCc1nc(-c2cccs2)no1 222679755 WYFSLTNLOZTHPB-UHFFFAOYSA-N 363.442 4.200 0 40 FIAB Cc1ccc(C)c(NC(=S)NCc2ccccc2-n2ccnc2C)c1 225448626 RBFQCUNAANXHOL-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB CN(C)[C@@H](CNCc1cccc(OCC(F)(F)F)c1)c1ccc(F)cc1 97465753 BZGZQXANSVORRV-SFHVURJKSA-N 370.390 4.159 0 40 FIAB Cc1ccc2oc(N3CCC[C@H](c4ncc(C(F)(F)F)[nH]4)C3)nc2c1 579194427 WPTAVSYRHRDPQH-NSHDSACASA-N 350.344 4.262 0 40 FIAB Cc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)s1 96051132 AXSBCMQZYRDOKH-SFHVURJKSA-N 363.477 4.189 0 40 FIAB O=C(c1cc(Cl)c(Cl)[nH]1)N(Cc1ccccc1)C[C@H]1CCCO1 97695485 XEDLAMVXFXTELF-CYBMUJFWSA-N 353.249 4.143 0 40 FIAB Cc1cc(N)n(-c2ccc(-c3ccc(-n4nc(C)cc4N)c(C)c3)cc2C)n1 255190400 XAUBEIBGCSVBAS-UHFFFAOYSA-N 372.476 4.123 0 40 FIAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260720865 UVJZHLKSPVMJCH-HZPDHXFCSA-N 369.538 4.211 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)NCC1CCN(Cc2cccs2)CC1 61568469 WUKIYQDHDVEWTQ-UHFFFAOYSA-N 367.518 4.180 0 40 FIAB CCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 95392581 UDVRDVSKAULSEU-AWEZNQCLSA-N 369.465 4.073 0 40 FIAB CCN(CC)CCN(Cc1ccccc1)C(=S)Nc1ccc(OC)cc1 5572636 OPXMJHZFEZKTPJ-UHFFFAOYSA-N 371.550 4.236 0 40 FIAB Cc1cc(-c2cnc(NCc3ccccc3F)nc2-c2ccoc2)on1 12252224 LMZKXABRMVOYPJ-UHFFFAOYSA-N 350.353 4.451 0 40 FIAB COc1ccccc1C1(O)CCN(Cc2c(C)[nH]c3cc(C)ccc23)CC1 12330704 YIPLIFFPCCHMLR-UHFFFAOYSA-N 364.489 4.277 0 40 FIAB O=C(OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 16488964 WFSYDPZKPXPMSR-ZDUSSCGKSA-N 364.228 4.090 0 40 FIAB C[C@@]12CC3CC(NS(=O)(=O)c4ccc(Cl)cc4)(C1)C[C@](C)(C3)C2 16606189 CEPNXBKLSXTQQH-DWLODGJJSA-N 353.915 4.367 0 40 FIAB Cc1nn(C)c2nc(C3CCN(Cc4ccccc4Cl)CC3)ccc12 19744688 GKEUIRCBQLKKEA-UHFFFAOYSA-N 354.885 4.310 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccccc2C)c1 19934822 GGISXSNDMMDQCA-SFHVURJKSA-N 355.434 4.276 0 40 FIAB O=C(Nc1ccccc1Br)C1CCN(Cc2ccccc2)CC1 9062776 KLPRYRYZXQCDOY-UHFFFAOYSA-N 373.294 4.300 0 40 FIAB COc1ccc(CN(CC(F)(F)F)C(=O)c2ccc3ccccc3n2)cc1 13011820 FTZRGMSRHGAAHG-UHFFFAOYSA-N 374.362 4.448 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 13625261 TXIRANYWTFPXPA-OAHLLOKOSA-N 368.477 4.092 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)CCC(F)(F)F)CC[C@@H]2N1c1ccc(F)cc1 2037988496 OOXZOASTLOBBNB-CJNGLKHVSA-N 372.406 4.374 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(F)c3)cc21 8959671 RSXXKFYEWCGQLL-UHFFFAOYSA-N 370.424 4.240 0 40 FIAB Cc1nc2c(=O)n(Cc3ccccc3)nc(-c3ccc(F)cc3)c2s1 8955533 UTQXSHNSTQUZQD-UHFFFAOYSA-N 351.406 4.016 0 40 FIAB O=C(NCc1ccc(-c2ccco2)o1)c1ccc(OC(F)(F)F)cc1 575609210 SBRGRKBXXORWSX-UHFFFAOYSA-N 351.280 4.368 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)cc1 40150744 BKSCFMJLMJMBRZ-KRWDZBQOSA-N 351.450 4.186 0 40 FIAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cnc(-c2ccccc2)s1 40108756 NAKRXLZLTVNHSM-INIZCTEOSA-N 363.486 4.066 0 40 FIAB CCCn1cc([C@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 100755256 PHQZUVNFMDQJAU-MRXNPFEDSA-N 362.429 4.107 0 40 FIAB biogenic O=C(c1ccc2ncsc2c1)N1CCc2[nH]c3ccc(F)cc3c2C1 20715836 UZBXPUAWUGAGOK-UHFFFAOYSA-N 351.406 4.115 0 40 FIAB O=C(O)c1cccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c1 784492 AEBLQVAVGGNJDT-UHFFFAOYSA-N 364.382 4.358 0 40 FIAB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 908251 BADJEHKGCUGKCA-UHFFFAOYSA-N 372.490 4.013 0 40 FIAB CCOc1ccc(N[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 1446735 CSOGZJSTAARVPV-GFCCVEGCSA-N 367.704 4.356 0 40 FIAB C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1 2368381 ZGLVSRPBNKCRHR-KRWDZBQOSA-N 350.201 4.104 0 40 FIAB CCCCSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2 2719906 PELJQDULXPUGHW-UHFFFAOYSA-N 362.520 4.172 0 40 FIAB Cc1ccc(C)c(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1 2725264 OOMDDJAQVMKNGX-UHFFFAOYSA-N 352.312 4.112 0 40 FIAB O=[S@@](CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 3128204 OBLYXXRZYGHQDU-XMMPIXPASA-N 356.874 4.384 0 40 FIAB CC[C@@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 3235595 XBVZAIMXHDAVHV-MRXNPFEDSA-N 365.351 4.381 0 40 FIAB Cc1ccccc1-n1c(S[C@@H]2CCCCC2=O)nc2ccccc2c1=O 3290502 FRBMKDSTSOVIBF-LJQANCHMSA-N 364.470 4.298 0 40 FIAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccc(F)c1 3440105 CEAHRODDLLSUPC-UHFFFAOYSA-N 360.439 4.152 0 40 FIAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1ccccc1Br 3904924 NTTBMJIADQIFRG-MGPQQGTHSA-N 354.288 4.257 0 40 FIAB CCn1c([C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033580 QOJGJBHQSUYDAB-ZDUSSCGKSA-N 369.852 4.239 0 40 FIAB O=C(c1ccccc1F)N1CCN=C1SCc1c(F)cccc1Cl 4120157 UYVHIZVXZMGMMO-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB Cc1ccc(-c2nc3c(c(=S)[nH]2)Cc2c(CO)cnc(C)c2O3)cc1 4193520 RSLOXHZFPZLGCM-UHFFFAOYSA-N 351.431 4.007 0 40 FIAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(C)=O)cc34)oc12 4586270 RNCRDYXSMDDPIF-UHFFFAOYSA-N 364.353 4.449 0 40 FIAB biogenic Cc1cc(C)c(C)c(S[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C 5039745 FRQKBMSRXXBCFZ-HNNXBMFYSA-N 356.491 4.138 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 5434656 PLGYVRILPKZDHK-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB Cc1cc(SCC(=O)NCCc2ccc(F)cc2)nc2c(C)cccc12 5581571 BENNCDMGLSBFLR-UHFFFAOYSA-N 368.477 4.442 0 40 FIAB CC1CCN(C(=O)c2ccccc2NC(=S)Nc2ccccc2)CC1 5945881 YHFHHQDMJREDSG-UHFFFAOYSA-N 353.491 4.368 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 6152443 XLMWJSLJIOHCAJ-GOSISDBHSA-N 350.462 4.111 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)c(C)c1 6964499 RMLFPRXEPKOAMR-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1 7406620 HWYRJIDFRHECEP-UHFFFAOYSA-N 357.460 4.011 0 40 FIAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1Cl 7720383 PKBVTTWLLQVHMP-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1cccc2ccccc12 8349243 TXCXHBKCUZKCKA-KRWDZBQOSA-N 370.456 4.183 0 40 FIAB CNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 8377317 JGWFPQBAAJODHK-UHFFFAOYSA-N 370.674 4.410 0 40 FIAB Cn1c(NC(=O)C2CCCCC2)c(-c2ccccn2)c(=O)c2ccccc21 8642923 GZPLRJAGLAREMO-UHFFFAOYSA-N 361.445 4.119 0 40 FIAB Cc1ccccc1-c1noc(CSc2nncn2-c2ccccc2C)n1 8706881 DKCXCKGSKITOLS-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB COc1ccc([C@H]2CCCCCN2[C@H](C(=O)N(C)C)c2ccccc2)cc1 8709508 RUSDDNLWWJTBFF-YADHBBJMSA-N 366.505 4.442 0 40 FIAB COc1cccc(C=O)c1OCCCSc1nnc(-c2ccccc2)o1 8731647 NGBYCFGIMFKRAG-UHFFFAOYSA-N 370.430 4.119 0 40 FIAB Cc1cccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]n2)c1O 8744064 XVGCYCAMQWJVJR-UHFFFAOYSA-N 361.323 4.362 0 40 FIAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1COc2ccccc2C1 8746037 UNMGUKSXEGVCMV-SFHVURJKSA-N 350.462 4.257 0 40 FIAB CCCC(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 9064322 PECFVLKDRIFXFA-UHFFFAOYSA-N 353.919 4.189 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc2c(cc1Cl)OCO2 9114180 AYOSSWWNAOFYBF-UHFFFAOYSA-N 356.765 4.284 0 40 FIAB O=C(c1cc(-c2csc(NCc3ccc(F)cc3)n2)c[nH]1)N1CCCC1 9377089 BBPJTIZCUFDYPN-UHFFFAOYSA-N 370.453 4.125 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9791476 ZQHZXCOTAHKBLY-VBKZILBWSA-N 372.440 4.354 0 40 FIAB CC(C)[C@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12594835 ZQNUORDXVIJTIH-HNNXBMFYSA-N 353.491 4.278 0 40 FIAB Cn1c(C[C@H](NC(=O)c2ccccc2F)c2ccccc2)nc2ccccc21 12628943 RCGGENLBDAZFLU-FQEVSTJZSA-N 373.431 4.426 0 40 FIAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1Cl 12755423 TZXCMDVQAPBDEI-UHFFFAOYSA-N 360.244 4.152 0 40 FIAB CCOc1cc2c(cc1NC(=O)Cc1c(F)cccc1Cl)O[C@@H](C)C2 12787846 KENNEKTWWKWGHT-NSHDSACASA-N 363.816 4.382 0 40 FIAB Cc1cc(Br)ccc1NC(=O)Cc1cnn(-c2ccccc2)c1 12799284 HJTZBCQXLNGCOB-UHFFFAOYSA-N 370.250 4.124 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N(C)C3CCC(C)CC3)cc2)n1 12820101 MQNYXSLODWKPER-UHFFFAOYSA-N 359.495 4.321 0 40 FIAB Cc1cccc(CSCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 12891940 SAZBDBXMQMVLKC-UHFFFAOYSA-N 353.443 4.282 0 40 FIAB O=C(COc1ccc(C(=O)O)cc1)Nc1ccc(Oc2ccccc2)cc1 13079834 YMOJZKJEMOEDLI-UHFFFAOYSA-N 363.369 4.195 0 40 FIAB CCc1cc2c(SCC(=O)Nc3nc(C)c(C)s3)ncnc2s1 14092962 GIHZTMSMKOYEPR-UHFFFAOYSA-N 364.521 4.058 0 40 FIAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)N[C@@H](C)c1ccccc1 14169059 OEZCCLSENQVBJN-NSHDSACASA-N 365.449 4.218 0 40 FIAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccc(F)cc1)O[C@@H](C)C2 16302632 QGFNKUARBKKAMC-ZDUSSCGKSA-N 371.408 4.149 0 40 FIAB CCOc1ccc(CN(C)Cc2cc(=O)oc3cc(C)ccc23)cc1OC 16561273 IERPDBUNRKRCCT-UHFFFAOYSA-N 367.445 4.141 0 40 FIAB COc1ccccc1CNC(=O)CCc1sc(C)nc1-c1cccs1 19819632 KCWGFXUQTOMSEP-UHFFFAOYSA-N 372.515 4.438 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(c2ccccc2F)CC1 20111128 QEUGDNRUGLWPMR-QGZVFWFLSA-N 370.468 4.065 0 40 FIAB CCCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O 20634048 QAOBSNYXIJQLBI-UHFFFAOYSA-N 351.454 4.033 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(C)c2)C4)cc1 20796045 NZGQGTXQNUUPED-GOSISDBHSA-N 368.440 4.321 0 40 FIAB CC(=O)c1ccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 21829981 NPGIYQYLNOLBJI-HXUWFJFHSA-N 357.837 4.189 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccccc1-c1nc(-c2ccncc2)no1 22461630 JYAIRFOXFQAHCX-ZHACJKMWSA-N 368.396 4.451 0 40 FIAB Cc1nc2sc([C@H](c3ccccc3F)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 22626473 RIHOTIFYOPJEQY-MKBNYLNASA-N 374.485 4.011 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)cc1)c1occc1COc1ccccc1 23098937 LIHNVKUXZZOFLH-UHFFFAOYSA-N 359.385 4.297 0 40 FIAB COc1ccc(-c2nc(CN3CCc4ccccc4C3)cs2)cc1OC 23748655 CGPAHMBYVXWCCB-UHFFFAOYSA-N 366.486 4.386 0 40 FIAB CC(C)[C@@H](NC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 24334751 VEYPJXQAPSMKQJ-OAQYLSRUSA-N 369.484 4.050 0 40 FIAB O=C(NCc1cccnc1)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 25525852 XQGGZTQNGAPEOS-HZPDHXFCSA-N 351.475 4.282 0 40 FIAB Cc1nc(COc2cccc(C(=O)OCc3ccc(Cl)nc3)c2)cs1 26806974 QWRNUKHZFQHMEP-UHFFFAOYSA-N 374.849 4.436 0 40 FIAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C)n1 27770878 ZABXLXZSBZSQPN-SNVBAGLBSA-N 363.874 4.324 0 40 FIAB O=C(Nc1ccccc1Br)c1ccc(CN2CCCCC2)o1 27979442 IRSLFJYRUXCBKC-UHFFFAOYSA-N 363.255 4.280 0 40 FIAB C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccc(F)c(F)c1 32760740 HADIACHCRKVQPA-LLVKDONJSA-N 370.346 4.025 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)NCc2cccc(Cl)c2)cc1 32862401 AFACBHYCLYFZDD-UHFFFAOYSA-N 359.901 4.181 0 40 FIAB Cc1ccc(-c2nc(CSc3nnnn3-c3ccccc3C)cs2)o1 32922442 XDPIULDYBFPSQL-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB O=C(NCc1ccccc1)N[C@H](COc1ccccc1F)c1ccccc1 32937003 AEOGXLMKVBNXPA-HXUWFJFHSA-N 364.420 4.445 0 40 FIAB CCc1ccc(-c2noc(CCc3nn(C)c(=S)n3CC(C)C)n2)cc1 32937540 ZBGIBRWJVBZZBN-UHFFFAOYSA-N 371.510 4.005 0 40 FIAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCCc1cccc(F)c1 40068878 RIAFEIPLPJCNIL-UHFFFAOYSA-N 354.347 4.229 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)c1cc(C)ccc1C 43667881 DUFQTICQXASRHD-CQSZACIVSA-N 355.438 4.153 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1Oc1ccccc1 46321069 KCWFLYDKTKYLGO-CQSZACIVSA-N 356.422 4.331 0 40 FIAB Cc1cccc(N2CCN(C(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)c1 48311128 SYMKOGDMUADEFZ-KSEOMHKRSA-N 372.553 4.121 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)n[nH]2)c(OC)c1 57412833 RESZDSZWRMRRMB-UHFFFAOYSA-N 365.433 4.271 0 40 FIAB CC(C)c1nc(CS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cs1 58595847 QILJYYOIUHZHIU-UHFFFAOYSA-N 363.426 4.400 0 40 FIAB Cc1csc(Sc2ccc(NC(=O)N3CCSCC3)cc2)n1 60036612 VIGVUOHCOPBCDH-UHFFFAOYSA-N 351.522 4.183 0 40 FIAB O=C(Nc1nnc(COc2ccccc2)o1)C1(c2cccs2)CCCC1 61973962 GQHKSYSQQYYYLI-UHFFFAOYSA-N 369.446 4.161 0 40 FIAB C=Cc1ccc(Cn2c(=O)n3nc(CCCC)nc3c3ccccc32)cc1 65535011 QBHINVKIVIGCPW-UHFFFAOYSA-N 358.445 4.078 0 40 FIAB O=C(CCCc1ccccc1)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803719 DGSXDDALQAFEDY-UHFFFAOYSA-N 360.461 4.243 0 40 FIAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)c1 72349229 IMYGWGGSPRENJG-GOSISDBHSA-N 373.456 4.172 0 40 FIAB Cc1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cnc1Cl 84101597 JPXKJDFJUGYDHN-UHFFFAOYSA-N 372.877 4.439 0 40 FIAB C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O 90711804 SORISAYAZBCIQH-BAAZUTBUSA-N 351.284 4.372 0 40 FIAB biogenic Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 95067974 JTBXHQAKRHGIRI-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)[C@@H]1CCCN(C2CCC2)C1 95469081 DRDXYSTUTPLKGV-DZGCQCFKSA-N 373.522 4.094 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NC(c1ccccc1)c1ccccc1)OC2=O 100260396 WZPQMHUPXQPZOY-DHIUTWEWSA-N 363.457 4.014 0 40 FIAB C[C@@H]1CN(CC(=O)Nc2ccccc2Br)[C@H]1c1ccccc1 106922532 ZILRSSYPLXJXMK-FZKQIMNGSA-N 359.267 4.081 0 40 FIAB COc1ccc(OC(F)F)c(NC(=O)c2cnn(-c3ccccc3C)c2)c1 112170493 DRSYXZGCNIPANT-UHFFFAOYSA-N 373.359 4.043 0 40 FIAB Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C 188485623 VNCZWZPJQZMHQX-BEFAXECRSA-N 363.461 4.483 0 40 FIAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)c1cccc(Cl)c1 207969419 JABXXLDYNBKLCR-GOSISDBHSA-N 357.862 4.413 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 219302164 LFRQAJFWIZGIAY-IEBWSBKVSA-N 355.478 4.271 0 40 FIAB CC(C)Oc1ccccc1C(=O)NCCCN1CCCc2ccccc21 219747644 KEHCJDLTKXDMFH-UHFFFAOYSA-N 352.478 4.047 0 40 FIAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CC 223943303 SEXCEQUQAUPRSO-MRXNPFEDSA-N 373.324 4.427 0 40 FIAB O=C(NCCOCc1ccccc1)c1ccccc1CCc1ccccc1 224279899 QDMQQZVJWPLBDD-UHFFFAOYSA-N 359.469 4.418 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cs1 226097383 QNVVJGAOQVVWBI-UHFFFAOYSA-N 353.447 4.421 0 40 FIAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(CC)cc2)cc1 408628474 UEMONVOXBJAMQN-UHFFFAOYSA-N 369.490 4.114 0 40 FIAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc(C)c1 408821494 IEWOMGLTPKFWSX-WQRHYEAKSA-N 369.442 4.249 0 40 FIAB CCOc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cccc1OC 409304553 RXVGOAMZMWIRLT-VBKFSLOCSA-N 355.415 4.335 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)N1C(=O)C[C@H]1c1ccccc1 575442815 CHVJFUMDBXCWHP-FPOVZHCZSA-N 361.445 4.105 0 40 FIAB O=C(N1CCC[C@H](Oc2ccncc2)C1)C1(c2cccs2)CCCC1 575604629 AZBBHFMABDUTGM-KRWDZBQOSA-N 356.491 4.025 0 40 FIAB O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)[C@H]1CC[C@@H](c2ccccc2)O1 585083691 NAXLMKULVICFMF-JKSUJKDBSA-N 357.360 4.359 0 40 FIAB CC(C)c1ncc(S(=O)(=O)N(c2ccsc2)C2CCCCC2)[nH]1 644876567 NYPIVSBPFIRODV-UHFFFAOYSA-N 353.513 4.123 0 40 FIAB O=C(NCc1cncc(-c2cccnc2)c1)NCc1cccc2ccccc12 675008431 YEOREPWCEXOCRF-UHFFFAOYSA-N 368.440 4.296 0 40 FIAB Cc1cccc2sc(N3CCN(c4ccnc5ccccc45)CC3)nc12 2087124852 DAWPPGZHNIPTBE-UHFFFAOYSA-N 360.486 4.480 0 40 FIAB NC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CCCC2 803464 JBJUKHYBIPJISQ-UHFFFAOYSA-N 350.443 4.131 0 40 FIAB COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1ccccc1 866304 XXEULAJDAUEGDM-UHFFFAOYSA-N 355.459 4.076 0 40 FIAB COc1ccccc1CC(=O)N(C)c1nnc(-c2ccc(Cl)cc2)s1 1356450 BZMARHYAQIOGLM-UHFFFAOYSA-N 373.865 4.073 0 40 FIAB Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12 1398251 IBGCCJPSMROWRG-UHFFFAOYSA-N 353.266 4.242 0 40 FIAB aggregator O=C1NC(=O)NC(=C/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 1454233 GJUCKXLXWRTBQA-OWOJBTEDSA-N 364.188 4.130 0 40 FIAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCCCCO 1778651 RTEAVZHBKQQIRB-UHFFFAOYSA-N 371.264 4.293 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3C)n2C)c1 2644734 NJGDKMXFDSDYRU-UHFFFAOYSA-N 351.475 4.382 0 40 FIAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1C 2713244 HGRGMTLSRYDTDX-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB COc1ccc(Nc2nc(-c3sc(NC(C)=O)nc3C)cs2)cc1 2873527 DLTCJJHLVITVFM-UHFFFAOYSA-N 360.464 4.286 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)N(C)c3ccccc3)s2)cc1 3469922 SKRBTHBUWYRTPO-UHFFFAOYSA-N 370.503 4.345 0 40 FIAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1cc(Cl)cc(Cl)c1 3493800 MNCWMFMXIJXUCF-UHFFFAOYSA-N 364.184 4.117 0 40 FIAB COc1ccc(-c2nnc3ccc(SCc4ccccc4F)nn23)cc1 4164998 PKFZXFYRYZSIHE-UHFFFAOYSA-N 366.421 4.231 0 40 FIAB COc1ccc(-n2nnc3c(S[C@H](C)c4ccccc4)ncnc32)cc1 4166772 QNBPGLUBKRABBT-CYBMUJFWSA-N 363.446 4.072 0 40 FIAB O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1 4231817 XFRWIKUEXZGKNX-UHFFFAOYSA-N 372.856 4.018 0 40 FIAB Cc1c(Cl)ccc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12 4264250 KXTZNEZCLSCBNL-UHFFFAOYSA-N 360.822 4.282 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(CCc2ccccc2)s1 4696300 FVZSXWOCPCELLH-UHFFFAOYSA-N 357.866 4.158 0 40 FIAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1 5002152 XDYOLFZBYUHUHJ-KRWDZBQOSA-N 374.440 4.230 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 5500982 FMKQQNQNFQHBSK-UHFFFAOYSA-N 354.450 4.350 0 40 FIAB CCc1s/c(=N\c2cccc3ccccc23)n(C(C)=O)c1OC(C)=O 5553110 LLOPXLRHRLPFGN-VXPUYCOJSA-N 354.431 4.083 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 5559051 TVOYEABLGAFLLD-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2ccccc2C)c(=O)c2ccccc21 5737759 UCYDWSWQITWVNA-UHFFFAOYSA-N 350.418 4.068 0 40 FIAB Cc1cc(C)c(C)c(S(=O)(=O)Oc2cccc3c2OC(C)(C)C3)c1C 5863564 HUFSYYPVJDDFQM-UHFFFAOYSA-N 360.475 4.401 0 40 FIAB CC(C)/N=C1\S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1C(C)C 6324863 DNDIJHQGRZFFAJ-AUQGJEIWSA-N 366.870 4.158 0 40 FIAB Cc1ccc(-n2c(C)c(C)c3c(NCCCn4ccnc4)ncnc32)cc1 6664464 RLAMWSXAAYKMHR-UHFFFAOYSA-N 360.465 4.044 0 40 FIAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 7007854 TUIJSLWMWRXHSG-QHCPKHFHSA-N 374.415 4.016 0 40 FIAB Cc1nnc(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)O)o1 7365727 DFOIDNAIQOXLTQ-YBEGLDIGSA-N 355.419 4.003 0 40 FIAB C[C@@H](NC(=O)CN(Cc1ccco1)Cc1cccs1)c1ccccc1 7580444 GPSBSDJXUFDPBF-MRXNPFEDSA-N 354.475 4.221 0 40 FIAB CC(C)c1ccc([C@@H](NCc2cc(=O)n3ccsc3n2)C(C)C)cc1 7803989 FBBOWKSAZMVPJN-IBGZPJMESA-N 355.507 4.366 0 40 FIAB Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 7990684 JRHCUIMRBRQNSB-WMZOPIPTSA-N 366.461 4.493 0 40 FIAB COc1ccccc1-c1n[nH]c(=S)n1NCc1c(F)cccc1Cl 8496552 YSTVYCWULCDVBN-UHFFFAOYSA-N 364.833 4.152 0 40 FIAB c1ccc(CNc2nnc(Sc3ncnc4ccsc34)s2)cc1 8735113 JOYGVDMZBZAUGJ-UHFFFAOYSA-N 357.489 4.306 0 40 FIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8778370 OMVPGBWLUZKUCW-FQEVSTJZSA-N 374.440 4.226 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NC2CC2)cc1 8844599 AAWXBMXKRDRZPC-UHFFFAOYSA-N 368.458 4.366 0 40 FIAB Cc1c(C(=O)Nc2ccc(Sc3nncn3C)cc2)oc2ccccc12 8937087 IXKAKXLTFGSCHO-UHFFFAOYSA-N 364.430 4.273 0 40 FIAB O=C(CCc1nc2ccccc2s1)NCc1ccc(OC(F)F)cc1 9604164 VIAQEYSHIGXKOG-UHFFFAOYSA-N 362.401 4.147 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Oc3ccc(Cl)cc3)c(=O)oc2c1 9722464 ZNVJXTPIUXZDSI-UHFFFAOYSA-N 372.804 4.302 0 40 FIAB O=C(c1cccnc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235607 PZEMKQAXWBWREA-UHFFFAOYSA-N 357.866 4.365 0 40 FIAB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1cccc(Cl)c1Cl 11719735 ALVXLLNPAMCULC-MRVPVSSYSA-N 357.266 4.039 0 40 FIAB COc1cccc(CSc2nccn(-c3ccc(Cl)cc3)c2=O)c1 12415913 SMAIVIKECSSFDB-UHFFFAOYSA-N 358.850 4.187 0 40 FIAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1 12416153 VNVHWPKLBTYMRS-CQSZACIVSA-N 353.809 4.219 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 14171666 DHZOESMSOREDMK-KAMPRCONSA-N 371.502 4.104 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3cc(C)ccc3OC)cs2)c1 15637338 ZKZLHMMFVURWHR-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc4ccc(F)cc4s3)oc2c1 17046019 CUNHRGPROPEHDD-UHFFFAOYSA-N 368.389 4.411 0 40 FIAB CCCc1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cn1 19525792 YALMPFORSXQCOG-SQOUVECCSA-N 365.521 4.500 0 40 FIAB CCCn1ncc(C(=O)N2CCC(c3cc4ccccc4cn3)CC2)c1C 19525865 RUTGPMAKRGIANZ-UHFFFAOYSA-N 362.477 4.170 0 40 FIAB COc1ccc2cc(C(=O)N3CCC[C@@H](c4cc5ncccc5[nH]4)C3)[nH]c2c1 19563776 PYVNVJOLGKTVNA-OAHLLOKOSA-N 374.444 4.073 0 40 FIAB COc1cc(CN[C@H](Cc2ccsc2)c2nccs2)cc(OC)c1 19595152 LWGAUOJKCBHMIK-QGZVFWFLSA-N 360.504 4.295 0 40 FIAB Cc1cc(C)n([C@@H](C)Cn2cncc2-c2cnn(C3CCCCC3)c2)n1 19654579 XNASIXIZJMIDQN-KRWDZBQOSA-N 352.486 4.326 0 40 FIAB COc1ccc([C@@H](NC(=O)c2cn3ccc(C)cc3n2)c2ccccc2)cc1 20017066 MSZHVVVJSPCFNK-QFIPXVFZSA-N 371.440 4.171 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)c(Cl)c1 20144383 QZPCAHVJCXUVLS-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB O=c1c(-c2nc(-c3ccc(Br)cc3)no2)c[nH]c2ccccc12 20715752 DLCSRPLXHSBATA-UHFFFAOYSA-N 368.190 4.008 0 40 FIAB COc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccco2)no1 22459646 UHMHONXVUPSFMH-UHFFFAOYSA-N 361.357 4.258 0 40 FIAB CN(Cc1nc(O)c2sccc2n1)Cc1ccc(Cl)cc1Cl 23731134 QUNRCMKMLZLJEX-UHFFFAOYSA-N 354.262 4.336 0 40 FIAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(-n2cccc2)cc1 24634951 KUIJFATYDFBBJV-UHFFFAOYSA-N 356.372 4.351 0 40 FIAB CC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 25513028 CTKICNSRPMVVSP-KRWDZBQOSA-N 367.367 4.360 0 40 FIAB OCCNc1ncnc2c1sc1nc(C3CCCCC3)c3c(c12)CCC3 31819700 AYCANWCHABQBHF-UHFFFAOYSA-N 368.506 4.180 0 40 FIAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1cccnc1 32100543 XMSMJOQDBNNBAL-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB Cc1cc(C)n2nc(SCc3csc(-c4ccc(C)o4)n3)nc2n1 32315449 VXKXCCZBTYVEDY-UHFFFAOYSA-N 357.464 4.058 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3cc(F)cc(F)c3)cc2)n1 32578906 AITQARGUBLVSFG-UHFFFAOYSA-N 373.359 4.156 0 40 FIAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1ccc(F)c(F)c1 32609695 ZEZYVJJEROFJBY-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB CCN(CC)Cc1ccccc1CNC(=O)c1cn(CC)c2ccccc12 32820987 USGCMHGFHORFDN-UHFFFAOYSA-N 363.505 4.433 0 40 FIAB Cc1ccc2[nH]c(CSCC(=O)Nc3ccccc3Cl)cc(=O)c2c1 33063643 ICSCXXMBOWONCK-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB CC(C)Sc1ncccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 44488217 HGOWOKLEDJRUIG-LJQANCHMSA-N 370.518 4.168 0 40 FIAB O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1)N1CCCC1 46078815 HERQZKOQTSTRHI-UHFFFAOYSA-N 368.864 4.169 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)c3cccnc3S)s2)cc1F 47493223 VYVGPQZBTYDHRZ-UHFFFAOYSA-N 359.451 4.117 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 48206129 JDIFHBBOYVWKEY-UHFFFAOYSA-N 372.428 4.031 0 40 FIAB CC(=O)Nc1ccc(C)c(NC(=O)NCCSCc2cccs2)c1 48272882 WFJXTXGFSQOAJR-UHFFFAOYSA-N 363.508 4.070 0 40 FIAB Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1C 59176208 TUVWGCJQJOPVPA-UHFFFAOYSA-N 354.431 4.240 0 40 FIAB CCOc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 62017890 PSANBRBNNXMNCZ-UHFFFAOYSA-N 360.457 4.365 0 40 FIAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)c1 67295339 YXYMWABKKTXCTI-GYHWCHFESA-N 358.397 4.497 0 40 FIAB CSc1nc(Cl)cc(NC2CCC(NC(=O)OC(C)(C)C)CC2)n1 72203860 MYNNIICNGCOLGJ-UHFFFAOYSA-N 372.922 4.100 0 40 FIAB Cc1nc(C(=O)N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)co1 72358293 CRKHVOFMZRCRON-FQEVSTJZSA-N 365.408 4.085 0 40 FIAB C=CC(=O)Nc1cc(NC(=O)Cc2ccc(CCCC)cc2)ccc1F 75107653 ZYYAFSSFPSAOMO-UHFFFAOYSA-N 354.425 4.474 0 40 FIAB CC(=O)N1CCc2cc(-c3nc(NCC(F)(F)F)sc3C)ccc21 84057056 QDAOXGQLEUROOL-UHFFFAOYSA-N 355.385 4.002 0 40 FIAB Cc1c([C@@H](C)NC(=O)CN2CCc3sccc3C2)oc2ccc(F)cc12 84067773 UNVBHCCUWYSSAJ-CYBMUJFWSA-N 372.465 4.177 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCC(C)(C)c1ccncc1 91862172 NLTVTEMDWNKCLK-UHFFFAOYSA-N 369.465 4.360 0 40 FIAB CCOc1ccccc1CCCNC(=O)CSCc1ccccc1F 222707200 ANKPSKCRSQLSBD-UHFFFAOYSA-N 361.482 4.207 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 222776479 IGAXZIMDCDICGH-UXHICEINSA-N 362.502 4.173 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3C)s2)cc1 224320176 HHMQOLMHQYNVQG-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 225284029 HRIYCIZFEALADJ-JTQLQIEISA-N 371.915 4.346 0 40 FIAB COc1ccc(Cl)cc1NC(=O)N[C@H](C)Cc1ccc2c(c1)CCO2 225604691 LOULZZGVSXQUHZ-GFCCVEGCSA-N 360.841 4.036 0 40 FIAB CCOc1ccccc1NC(=S)NCCCN1c2ccccc2C[C@@H]1C 225739249 LSKBJEHDOMUAKI-INIZCTEOSA-N 369.534 4.213 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCC1 226330629 HZMNGGMNNDREDA-UHFFFAOYSA-N 374.282 4.192 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4F)OCC[C@@]31C2 257266703 MECWLUDYNGQSRI-YCJPRTSOSA-N 363.448 4.373 0 40 FIAB Cc1ccc2c(c1)OC1(CCN(Cc3cccnc3)CC1)[C@H]1CCCO[C@H]21 257327106 WZYRQQUJVABLSZ-RBBKRZOGSA-N 364.489 4.285 0 40 FIAB Cc1ccc(C(=O)N2N=C3[C@H](CCC[C@H]3C)[C@@]2(O)C(F)(F)F)cc1Cl 409173936 PUGPHUAGGSBBGA-RSAASHCRSA-N 374.790 4.147 0 40 FIAB Cc1ccnc(Oc2ccc(NC(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)cc2)n1 538003090 WCPOWIGMRVELMO-MOPGFXCFSA-N 363.392 4.459 0 40 FIAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611175 BIEQKIFSOAHTJH-GFCCVEGCSA-N 366.248 4.464 0 40 FIAB COc1ccccc1CC(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575619056 FPAOFUSBWRYVJH-UHFFFAOYSA-N 361.445 4.076 0 40 FIAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585148288 WIYSQZGABMKQLH-LJQANCHMSA-N 367.470 4.279 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(NC(=O)C2CC2)c1 641946471 PIWAXRCBPHTIJC-UIAACRFSSA-N 372.509 4.451 0 40 FIAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 706224 GEBIRUNRZMJRLW-NRFANRHFSA-N 358.397 4.495 0 40 FIAB CC(C)C(=O)Nc1ccc(-c2nc3cc(NC(=O)C(C)C)ccc3[nH]2)cc1 781723 URYUEFVUEGJROZ-UHFFFAOYSA-N 364.449 4.419 0 40 FIAB COc1ccc2oc(=O)c(-c3nnc(Nc4ccccc4)s3)cc2c1 846036 ITJSLCKDGQGVFB-UHFFFAOYSA-N 351.387 4.064 0 40 FIAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCC2)cc1 1370091 DPMWZHKEDNJDDD-OALUTQOASA-N 361.530 4.440 0 40 FIAB Clc1ccc(-c2cnc3ccc(I)cn23)cc1 1389483 OFNIQRVXNNOFSE-UHFFFAOYSA-N 354.578 4.259 0 40 FIAB CCCOc1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1 1913363 GVGUYFAAMQVKMX-UHFFFAOYSA-N 351.406 4.339 0 40 FIAB CCOc1ccccc1Oc1c(C)oc2cc(OC(C)=O)ccc2c1=O 2157988 UOKZKJXAVWFVAJ-UHFFFAOYSA-N 354.358 4.218 0 40 FIAB biogenic Fc1ccc([C@H]2C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1 2918055 VSBYDXANMWTLTP-HUUCEWRRSA-N 360.339 4.165 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2s1 3314884 LECQAKQIVGLWON-UHFFFAOYSA-N 374.487 4.393 0 40 FIAB Cc1cccc2sc(N(CCCN(C)C)C(=O)Cc3ccccc3)nc12 4359715 CODMCOBLWGLPJT-UHFFFAOYSA-N 367.518 4.132 0 40 FIAB C[C@@H](Oc1cc(-c2ccccc2)cc2ccccc12)C(=O)N1CCOCC1 5023207 TZDNPXUAVMQAFV-QGZVFWFLSA-N 361.441 4.133 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1OC 5244990 TUFHKICRDYBIMF-UHFFFAOYSA-N 368.477 4.265 0 40 FIAB CCOC(=O)/C(=C/c1c[nH]c2ccccc12)P(=O)(OCC)OCC 5828035 ZEAQNVIDMHFNIL-WJDWOHSUSA-N 351.339 4.338 0 40 FIAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 6345781 ZWQQXUMTSIZIDG-AWEZNQCLSA-N 372.852 4.119 0 40 FIAB Cc1nc(NC(=O)c2cccc(Br)c2)ccc1Br 6571282 ZLYKWMGINJQIDY-UHFFFAOYSA-N 370.044 4.167 0 40 FIAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCSc2ccccc21 6588870 IOUBBOXGJLMQSG-UHFFFAOYSA-N 360.287 4.294 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cc(C)ccc2C)C(C)C)cc1 6647199 WXFBTDPDGQNYOH-FQEVSTJZSA-N 368.477 4.095 0 40 FIAB CCc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)[nH]2)cc1 6790073 FVOVMZQOTFAFTL-UHFFFAOYSA-N 362.458 4.490 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)Sc2nccn2-c2cccc(F)c2)c1 6972910 BXAJJKGRRZKCJL-CQSZACIVSA-N 355.438 4.439 0 40 FIAB O=C(/C=C/c1ccc(Br)cc1)NCc1ccccc1Cl 7062870 HYWKBPFSAJKOSU-JXMROGBWSA-N 350.643 4.432 0 40 FIAB O=C(Cc1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1F 8361803 SPLTZWRBSRXSGT-UHFFFAOYSA-N 373.431 4.083 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cccc(C)c3O)[nH]n2)cc1Cl 8994348 YIONFQUDSWOCBV-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB COc1cccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)c1 9049680 OURYIQKZHRGYAZ-UHFFFAOYSA-N 359.414 4.077 0 40 FIAB Cc1csc2nc(CN(Cc3ccc(C(C)C)cc3)C3CC3)cc(=O)n12 9386272 WHPZDSVHUUOORR-UHFFFAOYSA-N 367.518 4.352 0 40 FIAB CCOC(=O)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)cc1 9594802 VHICCYNTDKQCGX-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 11513559 KOYFSARASVAQJM-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1)c1cccs1 11517606 YYNSLGODXUHIPS-DNVCBOLYSA-N 372.534 4.391 0 40 FIAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)COc1ccccc1 11612209 ZIKDVQXUIZHLJY-UHFFFAOYSA-N 367.426 4.219 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Sc2nc(CC3CCCC3)n[nH]2)cc1 11886296 DPNYQXRWKCHSPQ-ZDUSSCGKSA-N 374.510 4.055 0 40 FIAB CC[C@H]1c2ccsc2CCN1Cc1ccc(OCCOC)c(OC)c1 12241229 PZTFYUFOKPUDDS-KRWDZBQOSA-N 361.507 4.291 0 40 FIAB CC(=O)Nc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 12614602 JETHWOWKIVDSEE-UHFFFAOYSA-N 365.458 4.007 0 40 FIAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccccc1F 12622433 WQQVLZABINHVFW-UHFFFAOYSA-N 371.437 4.048 0 40 FIAB CCCCc1ccc(CC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12626258 FFYWJBBDNCDRFM-UHFFFAOYSA-N 361.489 4.133 0 40 FIAB O=C(Nc1cnc2ccccc2c1)c1cnn(Cc2ccccc2Cl)c1 12754796 CSCGJMYUWWMUIM-UHFFFAOYSA-N 362.820 4.385 0 40 FIAB CCc1ccccc1NC(=O)CN(C)Cc1csc(-c2ccccc2)n1 12856121 YBYAFXKICVEPDY-UHFFFAOYSA-N 365.502 4.443 0 40 FIAB Cc1cc(C)cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12914921 LVRPYLPWPMUGIM-UHFFFAOYSA-N 368.521 4.355 0 40 FIAB CC(=O)N[C@@H](C)c1ccc(C(=O)COc2c(Cl)cccc2Cl)cc1 12924653 GKFZWUDTNFASGR-NSHDSACASA-N 366.244 4.452 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1sccc1C 14158931 LSDIHRLXYWEDMW-UHFFFAOYSA-N 359.369 4.353 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14401071 AHUKPBUOSPJSDX-AWEZNQCLSA-N 355.434 4.177 0 40 FIAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O 15010130 UBDYBMASLMDBDV-YVLHZVERSA-N 373.405 4.167 0 40 FIAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccc(Cl)c(C)c1 15860747 BQVPPOJIUQVDTB-HNNXBMFYSA-N 358.869 4.391 0 40 FIAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)cc3)cc2s1 17075730 NEINKZJVXHCMJJ-UHFFFAOYSA-N 369.446 4.296 0 40 FIAB Cc1nc(-c2cccs2)c(CCC(=O)NCCc2ccccc2)s1 19819640 WAPRLPLFNFKQKU-UHFFFAOYSA-N 356.516 4.472 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 20104441 PYQYIXXTFSSMRJ-OAHLLOKOSA-N 374.440 4.076 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(F)cc1 20459526 RKCBZUGRSWRJPT-IBGZPJMESA-N 359.441 4.131 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C 20492730 KCJVFXNJIVQYID-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 20503547 YFORTSROAPLIIP-AZUAARDMSA-N 374.459 4.274 0 40 FIAB biogenic,in-vitro C[C@H](NC(=O)CN(C)[C@@H](C)c1cccs1)c1ccc2c(c1)CCCC2 22013509 SMTBTVYMXHZIMT-HOTGVXAUSA-N 356.535 4.497 0 40 FIAB CN(Cc1ccsc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 24960639 IKLAGYAPGIEXLK-KRWDZBQOSA-N 350.487 4.349 0 40 FIAB CCc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27580651 YUINCNZGGHFOOA-LJQANCHMSA-N 372.534 4.033 0 40 FIAB CC[C@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 28270528 RISHXPURNXAKKC-LBPRGKRZSA-N 366.870 4.125 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 28306336 OFVSIQSGQIZLFC-ZDUSSCGKSA-N 373.815 4.379 0 40 FIAB CCc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)s1 28477914 IMDKBHKLQGACBA-UHFFFAOYSA-N 370.430 4.072 0 40 FIAB C[C@@H](NC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccco1 32777465 WBRUSFDQLOFGBS-CYBMUJFWSA-N 366.383 4.140 0 40 FIAB Cc1[nH]c2ccc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cc2c1C 32848205 AIPVBZYNHGETDZ-UHFFFAOYSA-N 356.809 4.462 0 40 FIAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cccc(Br)c1 32930788 XIQQRIBSDGXYFC-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)c1ccc(F)cc1F 32931841 RVXKCVYAABKVSR-IBGZPJMESA-N 366.367 4.075 0 40 FIAB O=C(COc1cccc(-c2noc(-c3ccccc3)n2)c1)Nc1ccccc1 33327226 RPSQQQQMLTXHDK-UHFFFAOYSA-N 371.396 4.421 0 40 FIAB C[C@@H](CC(=O)NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1 36396827 JEOLVNNYHDYWRN-AWEZNQCLSA-N 365.399 4.212 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(F)cc2)cc1 36398722 AJNNNDIHDQSGFJ-IIBYNOLFSA-N 370.468 4.239 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)/C=C/c1c(F)cccc1F 40132097 JXUCTYMZFCKTLK-VAWYXSNFSA-N 353.372 4.419 0 40 FIAB COc1ccccc1-c1ccc(=O)n(Cc2c(Cl)cccc2Cl)n1 40268459 KAXURXMKQSUTCQ-UHFFFAOYSA-N 361.228 4.274 0 40 FIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 44844902 YZNUWFXKFWHRDQ-INIZCTEOSA-N 355.478 4.467 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 45382468 YPVVLHGLHNMVFC-NSHDSACASA-N 353.340 4.214 0 40 FIAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(C(F)(F)F)cc1 57383337 AHGXZQZAKMPWIW-GFCCVEGCSA-N 352.356 4.003 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CN2CC[C@@H](Nc3ccccc3)C2)cc1 58293665 RJOLRCLNBFMETL-HXUWFJFHSA-N 351.494 4.109 0 40 FIAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Nc1cccc2cnccc12 58376944 LEVRNZCWJYTWFE-SFHVURJKSA-N 363.465 4.385 0 40 FIAB O=C(Nc1cccc(CN2CCCC2)c1)C1=Cc2cc(Cl)ccc2OC1 58415004 DJDXTDLKAKKTDQ-UHFFFAOYSA-N 368.864 4.350 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc3[nH]ccc3c2)cc1 72221770 HCKRGJQYJPKUCU-HXUWFJFHSA-N 354.475 4.392 0 40 FIAB COc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)nc2c(C)cc(F)cc12 72329526 UTGPGNFZCGECQE-GFCCVEGCSA-N 356.372 4.321 0 40 FIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 72378885 VQMQWVGQTKFCOU-HXUWFJFHSA-N 374.488 4.297 0 40 FIAB O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccc(Br)o1 77117021 PIEZEKSUHJMYFO-HNNXBMFYSA-N 374.234 4.049 0 40 FIAB CC(C)(C)n1nc(C(=O)Nc2ccc(N3CCCCC3)cn2)cc1C1CC1 80074317 IRAGCOWKTBVUDI-UHFFFAOYSA-N 367.497 4.153 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502231 HVIZVCUDRUQZBQ-GHMZBOCLSA-N 353.369 4.177 0 40 FIAB CC(C)c1noc(CCCC(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 89893633 QAXFYQFZLJQJPW-IBGZPJMESA-N 355.482 4.346 0 40 FIAB C[C@@H]1CN(c2ccc(Nc3ncnc4sccc34)cc2F)C[C@@H](C)O1 89936837 NFVZYMGSOVPUOZ-VXGBXAGGSA-N 358.442 4.188 0 40 FIAB COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)nc2c(F)cc(F)cc12 95471760 YFFGASOKJUPRPB-ZDUSSCGKSA-N 370.399 4.273 0 40 FIAB Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1cccc2c1OCO2 95957261 XQHWWJYEBPPYMD-UHFFFAOYSA-N 361.401 4.039 0 40 FIAB Cc1ncoc1-c1nc(-c2cccc(Cn3cnc4ccccc43)c2)no1 95996191 CBISMEHGNDJHBI-UHFFFAOYSA-N 357.373 4.098 0 40 FIAB CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1 100668297 BRPNLWHJOYRPDW-IBGZPJMESA-N 350.426 4.092 0 40 FIAB Oc1c(C2=NCCC2)c2nc(-c3ccc(F)cc3)cn2n1-c1ccccc1 102795472 CKXKWFRKHYXAAS-UHFFFAOYSA-N 360.392 4.220 0 40 FIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223348132 JQAUTAPPDLYKQT-MRXNPFEDSA-N 353.462 4.048 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 223692341 NAWXNNYATQYOEC-HZPDHXFCSA-N 371.477 4.472 0 40 FIAB Cc1cccc(-c2noc(CNC(=O)C3(c4ccccc4)CCCC3)n2)c1 223784742 VCOZFGQEDIPYCJ-UHFFFAOYSA-N 361.445 4.173 0 40 FIAB Cc1cccc(OCCNC(=O)COc2ccccc2C(C)(C)C)c1C 223962958 UZGAJHJZNGVVHC-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Sc3ccccc3)ccc21 225076365 GGWDQAUXZHIJJG-LBPRGKRZSA-N 358.488 4.202 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2)c1C 225289826 XJNLZDWRNILMSO-UHFFFAOYSA-N 374.531 4.001 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N[C@H](C)CC 225311012 FIQSCTXLBZMDQP-OLZOCXBDSA-N 373.324 4.425 0 40 FIAB Cc1ccc(SCCCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225587229 MHNJBTBFLAMWJT-UHFFFAOYSA-N 360.504 4.193 0 40 FIAB CCO[C@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@H](C)C1 225719136 QLOPCUSRHJTGRN-IFXJQAMLSA-N 369.889 4.289 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cc1C(=O)OC 225821663 APRXAEXHNCRQTD-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB COc1cccnc1NC(=S)NC1(CCc2ccccc2)CCCC1 225875540 HQZYKSPBYXNSJC-UHFFFAOYSA-N 355.507 4.322 0 40 FIAB O=C(c1cccs1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257260904 LEZCZSNRWXIUCJ-HNNXBMFYSA-N 370.449 4.486 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(CC)c3C)N21 260759377 GHDUIXSWOLRFRV-MNEFBYGVSA-N 354.523 4.499 0 40 FIAB CC[C@H]1CN1[P@](=O)(Oc1ccc(Br)cc1)N1C[C@H]1CC 301054416 JIMULZLKHUNTGL-KAIOVGPNSA-N 359.204 4.124 0 40 FIAB CC(C)CCn1ncc(NC(=O)N2CCO[C@@H](c3ccco3)C2)c1C(C)C 331778439 RPTREAXLBTVVPA-GOSISDBHSA-N 374.485 4.251 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C 408560595 LMLCVTJZMZYEKQ-UHFFFAOYSA-N 373.309 4.195 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccccn1 408880220 FCNAKLKTLGVLJK-LBPRGKRZSA-N 352.912 4.124 0 40 FIAB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)N(C)C1=S 409047895 VCZSXACWOUGTSS-JYRVWZFOSA-N 367.257 4.283 0 40 FIAB Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)c1 501198298 UCDRMHBUHAHTPG-NRFANRHFSA-N 373.399 4.265 0 40 FIAB O=C(NCC1CCC(F)(F)CC1)c1cc(-c2ccccc2Cl)[nH]n1 501828257 JZQBMPPYWJHTBK-UHFFFAOYSA-N 353.800 4.285 0 40 FIAB CC(C)Oc1cccc(Cc2nc([C@@H]3CCOc4ccccc43)no2)c1 545686460 YWNIINSQMHEAME-GOSISDBHSA-N 350.418 4.362 0 40 FIAB O=C(NC[C@@H]1COc2ccccc21)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 569703143 SZKQDEGGEOLHMU-HLAWJBBLSA-N 358.441 4.171 0 40 FIAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCC2(CC1)CC2(F)F 675008124 BMOGGTAWKLASAN-UHFFFAOYSA-N 357.400 4.380 0 40 FIAB Cc1cnccc1OCC1CCN(c2ccnc(C(F)(F)F)c2)CC1 2086865041 CSUIHCYESMYAAD-UHFFFAOYSA-N 351.372 4.099 0 40 FIAB Cc1ccccc1N[C@H](NC(=O)c1ccco1)C(=O)c1ccc(Cl)cc1 913230 ACSKJRSPCQQPTM-LJQANCHMSA-N 368.820 4.292 0 40 FIAB Clc1cccc(Cl)c1Cn1cnc(NCc2ccco2)c2ncnc1-2 1082332 XJMKLSBGAITQGU-UHFFFAOYSA-N 374.231 4.338 0 40 FIAB Cc1ccc2oc(-c3cc(Br)cc4c3OCOC4)cc(=O)c2c1 1323432 HJQOTOFLQMAKBH-UHFFFAOYSA-N 373.202 4.397 0 40 FIAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1Cl 1509536 KFBOEKOCXIFHCF-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB CCCn1nc(NC(=O)c2ccccc2OC)c2cc3ccccc3nc21 2376241 MXWBCRZNBFDTPS-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 2396074 MSRAVJCDSUGMDM-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB CN(C)c1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 2639512 HDOIOTFRYZAFCT-UHFFFAOYSA-N 362.458 4.381 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 2650435 RCMMBYSOUZBRGF-FQEVSTJZSA-N 374.440 4.048 0 40 FIAB Cc1sc(NC(=O)Nc2ccccc2)c(C(N)=O)c1-c1ccccc1 2764262 FUIAVFAHMYLNEZ-UHFFFAOYSA-N 351.431 4.466 0 40 FIAB CC(=O)c1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 3350931 BCWWXHKBOCVHKK-UHFFFAOYSA-N 373.408 4.138 0 40 FIAB Cc1ccc(SCc2nc(N)nc(Nc3ccccc3C)n2)c(C)c1 3455453 FQJAGTFWEWVROL-UHFFFAOYSA-N 351.479 4.415 0 40 FIAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2Cl)N1 3910373 ZJDRIKAAFJMYGX-CVEARBPZSA-N 361.228 4.163 0 40 FIAB biogenic CSc1cccc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)c1 4585591 MZJFNHRBFVKVIE-UHFFFAOYSA-N 368.443 4.321 0 40 FIAB O=C(c1ccccc1)[C@H]1CN(C2CCCCC2)CC[C@]1(O)c1ccccc1 4721470 LNTVSDPXHOIVLW-VWNXMTODSA-N 363.501 4.412 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1c(F)c(F)c(F)c(F)c1F 4948967 XWSNYDSKXXEBDF-UHFFFAOYSA-N 351.658 4.053 0 40 FIAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccccc3)c3ccccn3)oc2c1 5346260 RMQXQQGWNFFXFD-UHFFFAOYSA-N 370.408 4.343 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 5440667 YEWDWEBNOAIIHR-UHFFFAOYSA-N 358.825 4.036 0 40 FIAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1Oc1ccccc1 5505847 CDPDCWNCVLSOEQ-UHFFFAOYSA-N 373.408 4.225 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 5559028 RVNMZJSQMJSGOD-UHFFFAOYSA-N 367.430 4.029 0 40 FIAB COc1ccccc1C(=O)CSc1nnc2cc(C)c3ccccc3n12 5885138 WNMWMCDNVCYGTP-UHFFFAOYSA-N 363.442 4.175 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 6083824 HEDNYPAJQIVQJH-UHFFFAOYSA-N 352.415 4.028 0 40 FIAB NC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 6342317 ADTITWUUUHGEBF-UHFFFAOYSA-N 373.437 4.315 0 40 FIAB O=C(Nc1ccccc1N1CCCC1)c1ccc(OC[C@@H]2CCCO2)cc1 6647676 RUCJBQZNJUGSOG-IBGZPJMESA-N 366.461 4.097 0 40 FIAB C[C@@H](NC(=O)COc1ccccc1Br)c1cc2ccccc2o1 7400051 OCBKEKZJZBKWPW-GFCCVEGCSA-N 374.234 4.452 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)Cc1cccc(F)c1 7435268 KGJKCSGSFUWFFF-UHFFFAOYSA-N 356.349 4.035 0 40 FIAB O=C(Nc1ccc(I)cc1)c1cc2ccccc2[nH]1 7738071 LEFQMEAFRMXNEU-UHFFFAOYSA-N 362.170 4.025 0 40 FIAB Cc1cccc(OCCCC(=O)Nc2nc(-c3ccccn3)cs2)c1 7778645 BAZRGCJHAVYPAL-UHFFFAOYSA-N 353.447 4.311 0 40 FIAB O=C(CSc1nc(-c2ccccc2)cs1)NCCc1cccs1 7837107 SDEHVGLKWSSJAC-UHFFFAOYSA-N 360.529 4.323 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 8087796 FNSZMZHBIZOQBU-GOSISDBHSA-N 350.462 4.111 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 8218201 AOHBYWCHUHULBU-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1occc1-c1cccs1 8327545 SBXXGFCCFGEGDV-LBPRGKRZSA-N 371.414 4.201 0 40 FIAB CC(C)Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 8389340 NUSFVRPESSKOET-UHFFFAOYSA-N 374.441 4.064 0 40 FIAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(c2ccccc2F)CC1 9341803 UCDRZLHOASXGBF-UHFFFAOYSA-N 358.800 4.188 0 40 FIAB CCN(C(=O)CSc1nccn1-c1cccc(OC)c1)c1ccccc1 11206092 RVWPLMQNUMLKIW-UHFFFAOYSA-N 367.474 4.026 0 40 FIAB O=C1O[C@@H](C(=O)Nc2ccccc2C(F)(F)F)Cc2ccc(Cl)cc21 11666755 LZEAXJIXOQQYTB-CQSZACIVSA-N 369.726 4.079 0 40 FIAB Cc1ccc2cc(CSc3ncnc4c3cnn4C)c(Cl)nc2c1C 11683584 HNNSXLRIPHLMBV-UHFFFAOYSA-N 369.881 4.474 0 40 FIAB COc1ccc(-c2cn3c(C(=O)NCc4cccs4)csc3n2)cc1 11902217 LRRZTGQCAKQKQN-UHFFFAOYSA-N 369.471 4.063 0 40 FIAB Cc1cc(CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)ccc1F 11984882 KNCUEIALWUIKMY-UHFFFAOYSA-N 374.362 4.316 0 40 FIAB Cc1cc(C(=O)N[C@H](Cc2nc3ccccc3n2C)c2ccccc2)c(C)o1 12628742 ZMFADCLKSWTWQP-HXUWFJFHSA-N 373.456 4.497 0 40 FIAB COC[C@@H](C)Nc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1 12751411 VLUHYSQSXNMXHH-SNVBAGLBSA-N 360.508 4.392 0 40 FIAB COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)ccc1OC(F)F 12768531 JKPXXDKVFHSTCJ-QWRGUYRKSA-N 367.314 4.148 0 40 FIAB COc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1Cc1ccccc1 12794850 DUVULOVQXHYVSV-UHFFFAOYSA-N 357.413 4.415 0 40 FIAB O=C(NCCOc1ccc2ccccc2c1)c1ccccc1Br 12807153 ZPPZWODUEVSXPI-UHFFFAOYSA-N 370.246 4.411 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)c2oc3ccc(OC)cc3c2C)c1C 12847313 VRWVOCJJBROPDA-UHFFFAOYSA-N 355.390 4.102 0 40 FIAB CN(Cc1ccc(Br)s1)C(=O)c1cc2cc(F)ccc2[nH]1 12948865 GWNPOLYGFIZVPM-UHFFFAOYSA-N 367.243 4.403 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)Nc1cccc(OC(F)(F)F)c1 13012341 UOWFSONQOPIBID-UHFFFAOYSA-N 368.336 4.483 0 40 FIAB CCOc1ccc(C(=O)N(CC)Cc2cc3ccccc3nc2O)cc1 13479888 IYKLVITWOKWOAO-UHFFFAOYSA-N 350.418 4.001 0 40 FIAB Clc1ccc(Cc2nn3c(COc4ccccc4)nnc3s2)cc1 13689861 JZAKXYXFUXFMKR-UHFFFAOYSA-N 356.838 4.009 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Cl)ccc1Cl 14021736 WPLFUPZPIIXYPF-UHFFFAOYSA-N 353.205 4.213 0 40 FIAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)s2)c(C)c1 14219428 GHZATGBAFRBAIS-NSHDSACASA-N 374.325 4.167 0 40 FIAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1Cl 15587558 CYBBMFANZHUSBT-UHFFFAOYSA-N 365.216 4.320 0 40 FIAB O=C1NC(c2cccc(Br)c2)=N/C1=C\c1ccc(Cl)cc1 16386181 LRWZZNHBNLQLSF-ZSOIEALJSA-N 361.626 4.020 0 40 FIAB Cc1cc(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)c(C)n1C1CC1 16699260 PRTODBYGIMHOLF-UHFFFAOYSA-N 356.466 4.046 0 40 FIAB CN(CCOc1ccccc1F)c1nc(-c2cccnc2)nc2ccccc12 16884155 QAHBUNRQXFHMRE-UHFFFAOYSA-N 374.419 4.346 0 40 FIAB Nc1n[nH]c(Nc2cccc(Cl)c2Cl)c1C(=O)c1cccs1 17125456 JQVLLLXUILYOLB-UHFFFAOYSA-N 353.234 4.335 0 40 FIAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2ccnc2)sc1C 19559723 LYVGZHDMILAXNS-MLGOLLRUSA-N 374.535 4.069 0 40 FIAB Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)oc2ccc(F)cc12 20675669 NNZMSMGVOMLETO-UHFFFAOYSA-N 372.421 4.172 0 40 FIAB COC(=O)C1(NC(=O)CC(c2ccccc2)c2ccccc2)CCCCC1 24928668 OZCNJXSZJAYLOU-UHFFFAOYSA-N 365.473 4.201 0 40 FIAB CCCOc1ccccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 25320565 ZRLARKAJBZADEP-UHFFFAOYSA-N 352.434 4.245 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(Cl)c2c(c1)OCCO2 25711541 UULNGKNVRZXAMH-KRWDZBQOSA-N 374.868 4.207 0 40 FIAB CCCCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2 27795153 TVUVCBVDYJEUGX-UHFFFAOYSA-N 371.506 4.081 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)N[C@H](C)[C@@H]2CCCO2)cc1C 27893759 HFIBYWVIWWZDCM-QAPCUYQASA-N 356.491 4.147 0 40 FIAB C[C@@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C[C@@H](C)O1 28913634 GQOIDZUJDYKMFN-HUUCEWRRSA-N 374.868 4.180 0 40 FIAB Cc1sc2nc(N3CCCCC3)n3nc(-c4ccco4)nc3c2c1C 32088768 GJTJUJWRQWXFOV-UHFFFAOYSA-N 353.451 4.206 0 40 FIAB O=C(Nc1cccc(-c2n[nH]c3c2CCC3)c1)c1ccc2ccccc2n1 32933569 VOXABBITQBNYOT-UHFFFAOYSA-N 354.413 4.366 0 40 FIAB O=C1CCCN1c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1 43574086 LPNVLKXPWZXMFL-MRXNPFEDSA-N 355.463 4.244 0 40 FIAB CC1=NN(c2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2)CC1 44543005 XWSHYIKJOQVGCK-UHFFFAOYSA-N 352.419 4.241 0 40 FIAB Cc1nn(C)c2ncc(NC(=O)c3ccc(SC(F)(F)F)cc3)cc12 48287455 KXMRBCJWYHOEJU-UHFFFAOYSA-N 366.368 4.141 0 40 FIAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2c(F)cccc2s1 55840785 HTVPBJJOFVILEG-UHFFFAOYSA-N 372.421 4.003 0 40 FIAB C[C@@H](NC(=O)Nc1cccc(CN2CCOC2=O)c1)c1cccc(Cl)c1 58131656 KMMQKPBTQAIUST-CYBMUJFWSA-N 373.840 4.175 0 40 FIAB COc1ccc2c(c1)NC1(CCN(Cc3ccccc3)CC1)c1cccn1-2 72341613 ODIAQAJCRITKNJ-UHFFFAOYSA-N 359.473 4.403 0 40 FIAB Fc1ccc(CN2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377425 AUVTYNFTVXXNMB-INIZCTEOSA-N 355.442 4.153 0 40 FIAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)cc12 84169907 CLXPHNKZIIRIRF-WBVHZDCISA-N 367.424 4.236 0 40 FIAB CCCN(Cc1ccccc1)C(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F 89958953 RCFNEDJVWKLJEL-GOSISDBHSA-N 369.383 4.167 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCN1CC[C@]2(CC[C@H](C)C2)C1 96006571 QGIYLVMWGWLFAE-LIRRHRJNSA-N 350.890 4.189 0 40 FIAB CC(C)c1cc(C(=O)NCc2ccc(F)cc2)nc(N2CCCCCC2)n1 96192115 MYNMRTGNMNXFPF-UHFFFAOYSA-N 370.472 4.050 0 40 FIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]2C(=O)O 100242268 PQZVPLJDBHJGNI-WVATUKLVSA-N 366.244 4.401 0 40 FIAB CC(C)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)cc1 102846229 ILEWZCBTJAKQSB-WZGNDQMWSA-N 364.493 4.336 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 219041310 VZZPEJNYVPDHBH-OAHLLOKOSA-N 363.413 4.423 0 40 FIAB CC(=O)Nc1ccc(C(=O)N2CCS[C@H](c3ccccc3C)CC2)cc1 219268480 QVDWSRHJQQBLOD-FQEVSTJZSA-N 368.502 4.274 0 40 FIAB CCCN(CCC)C(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 219391529 ZUJDJEJYEWTDMC-UHFFFAOYSA-N 357.351 4.292 0 40 FIAB CC(C)Oc1ccc(CCCNC(=O)COc2cccc(Cl)c2)cc1 222769133 XMWKLNVOGNOEEM-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB Cc1cccc(OCC(=O)NCCCc2cccc(OC(C)C)c2)c1C 222819301 HCJAGDONORFTOK-UHFFFAOYSA-N 355.478 4.218 0 40 FIAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1C(C)C 223303918 ZNNRYMLLYIZRJO-MRXNPFEDSA-N 361.507 4.475 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)CSCc2ccccc2Cl)c1 224054650 IVBXBGNGWFODNB-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cc(C)cc(C)c1 224091848 KOUUATNVOQAAMT-LJQANCHMSA-N 361.869 4.309 0 40 FIAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225021547 ZEOQWBDPJWUALN-RBUKOAKNSA-N 354.523 4.379 0 40 FIAB CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225193344 OXEKLMVVWOOVTO-FQEVSTJZSA-N 371.477 4.439 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 225730590 GHQZITJQIQSHEA-IAGOWNOFSA-N 363.571 4.128 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C 225790889 KKMFIOBTYGJARU-UHFFFAOYSA-N 353.447 4.473 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2cccc(/C=C/C(=O)O)c2)c(Cl)c1 226322834 BZTKIGKXKGKOIZ-VOTSOKGWSA-N 359.809 4.072 0 40 FIAB NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 257217187 CXXNKXDSYMRXMQ-WHSLLNHNSA-N 363.461 4.064 0 40 FIAB Cc1ccc([C@@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc1 409109382 CODRWPACGCQWME-SFHVURJKSA-N 363.413 4.061 0 40 FIAB CC[C@H](C)[C@H](NC(=O)NCc1ccc(OC)cc1)c1nc2ccccc2[nH]1 524733638 YVOOHXXYISMRPC-LIRRHRJNSA-N 366.465 4.158 0 40 FIAB CC(C)(C)c1nnc(N2CCC(c3noc4cc(F)ccc34)CC2)s1 584085973 KGRUEKUWXRYBNY-UHFFFAOYSA-N 360.458 4.500 0 40 FIAB CCNCc1ccccc1NC(=O)N1CCc2ccccc2C(C)(C)C1 659019180 ODUDKEYQOJCAOQ-UHFFFAOYSA-N 351.494 4.164 0 40 FIAB Cc1ccc(C)c(N2CCN(c3ncnc4ccc(Cl)cc34)CC2)c1 1775977634 JEQWUASAMUAKBM-UHFFFAOYSA-N 352.869 4.227 0 40 FIAB CC1(C)[C@H]2C[C@H](C(=O)NCc3ccccc3-c3cccc(C(=O)O)c3)C[C@H]21 1776574367 GKCRJJIAKDFIOA-VJDPLVQDSA-N 363.457 4.350 0 40 FIAB CC(C)c1nnc(N2CCC(COc3ccncc3Cl)CC2)s1 1889104371 FEKDXCRQQOKZSR-UHFFFAOYSA-N 352.891 4.005 0 40 FIAB CC(C)c1nsc(N2CCC(COc3ccncc3Cl)CC2)n1 1889108520 CQOKHVWHZMAPMG-UHFFFAOYSA-N 352.891 4.005 0 40 FIAB FC(F)(F)c1cccnc1N1CCC(COc2ccncc2Cl)CC1 1889115694 JYEFTKKCPWKGIP-UHFFFAOYSA-N 371.790 4.444 0 40 FIAB CC(C)CN1C(=O)C2(CCN(C(C)C)CC2)C[C@@H]1Cc1cccc(F)c1 2037846313 WQMAIXHKFJQJTI-FQEVSTJZSA-N 360.517 4.116 0 40 FIAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 16273786 OQWGESPZSIKOIL-ZDUSSCGKSA-N 354.431 4.427 0 40 FIAB Cc1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1C 7983191 DKTZURVQWOVDDX-UHFFFAOYSA-N 357.439 4.086 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCO2 3347282 RRKBHNXEHDJBSN-UHFFFAOYSA-N 361.397 4.289 0 40 FIAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2cncn2-c2ccc(F)cc2)cc1 21509929 UNXBHAQSFFISBN-AWEZNQCLSA-N 366.392 4.002 0 40 FIAB COc1ccc2cc(CN(C)C(=O)[C@]3(C)CC3(Cl)Cl)ccc2c1 21558098 RGOCEJSHUVKGLE-KRWDZBQOSA-N 352.261 4.391 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c1 6610012 QXLHDICWJVMLBX-UHFFFAOYSA-N 363.413 4.017 0 40 FIAB CCCCN1C(=O)S[C@H](Cc2cc(Cl)cc(Cl)c2OC)C1=O 6647694 GWPKQJSEMTWXGC-GFCCVEGCSA-N 362.278 4.409 0 40 FIAB COc1cc(N)c(Cl)cc1C(=O)OCc1cc(-c2cccs2)on1 10551118 RTEDHEXXYQQBSU-UHFFFAOYSA-N 364.810 4.004 0 40 FIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1c(Cl)c2ccccc2n1C 91080145 ODVPNRCMJDMALW-OAHLLOKOSA-N 356.857 4.149 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1 21450512 BZVYNZIGTNGLRD-GOSISDBHSA-N 350.462 4.220 0 40 FIAB COc1ccccc1CN(C(=O)Nc1cc(OC)c(OC)cc1C)C1CC1 47352363 XUWZECVOZALDES-UHFFFAOYSA-N 370.449 4.217 0 40 FIAB COc1ccc([C@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 803147 FXEYVUGHTJFIQK-UXHICEINSA-N 371.444 4.168 0 40 FIAB Cc1noc(C)c1[C@H]1CC(=O)Nc2c1sc(C(=O)O)c2-c1ccccc1 61720439 BGEAGRJJVKBLAV-GFCCVEGCSA-N 368.414 4.192 0 40 FIAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccoc1C 12595442 JCJMVNKXNRKRRU-UHFFFAOYSA-N 362.378 4.476 0 40 FIAB CN(CC(=O)Nc1ccc(F)c(F)c1)Cc1ccccc1N1CCCCC1 12561643 HOMWNRGLCISXCR-UHFFFAOYSA-N 373.447 4.026 0 40 FIAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1cccnc1 12534872 BRSGXRXNSARCGM-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB CCc1ccc(Nc2nnc(SCc3cccs3)n(CC)c2=O)cc1 28538045 FGMAKNMYJHLNRS-UHFFFAOYSA-N 372.519 4.318 0 40 FIAB COc1cccc(Cn2cc(NC(=O)Nc3cc(C)ccc3C)cn2)c1 28220723 KYTGFJRHQJBAHY-UHFFFAOYSA-N 350.422 4.201 0 40 FIAB O=C(COCc1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 44383253 FBUYIZCJKRNMPE-GOSISDBHSA-N 369.852 4.097 0 40 FIAB O=C(NCc1ccccc1-n1cccn1)c1ccccc1Cc1ccccc1 58049952 LQBCIHNPWXHTHW-UHFFFAOYSA-N 367.452 4.393 0 40 FIAB C[C@H]1C[C@@H](Sc2ncnc3cc(-c4ccc(F)cc4)sc23)C(=O)O1 8156988 QUPCMNIAANPPNV-LKFCYVNXSA-N 360.435 4.294 0 40 FIAB CC(C)c1cc(Cc2cc(C(C)C)cc(C(=O)O)c2O)c(O)c(C(=O)O)c1 2126626 UWDQPXHDHDVEQP-UHFFFAOYSA-N 372.417 4.332 0 40 FIAB biogenic O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cccc(Cl)c1Cl 10677360 DVWRXITWNAKRKV-MRXNPFEDSA-N 356.274 4.423 0 40 FIAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 2376392 QOVNMUHVDCGDOR-DFBJGRDBSA-N 365.385 4.159 0 40 FIAB COc1ccccc1-c1noc(CNc2ccccc2N2CCCCC2)n1 11168043 CIANZCGXMVJHSV-UHFFFAOYSA-N 364.449 4.348 0 40 FIAB Cc1nn(C)c(C)c1CNc1nc(-c2ccccc2)cc(C(F)(F)F)n1 36613340 BNDVSVXRRIFUOL-UHFFFAOYSA-N 361.371 4.125 0 40 FIAB CCCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl 20581694 HRTGFNCFUGJCSS-UHFFFAOYSA-N 374.824 4.102 0 40 FIAB O=C(NC1CCCCCC1)c1ccc(OCc2cn3ccccc3n2)cc1 8281503 NCNUREIHAODGTJ-UHFFFAOYSA-N 363.461 4.366 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=S)Nc1cccc(F)c1 3999495 BKNGBUQFFHWDRU-HKUYNNGSSA-N 355.482 4.139 0 40 FIAB biogenic CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H](C)CCC)cc1 4065720 ZSHDARVIUKPAED-IFXJQAMLSA-N 374.481 4.083 0 40 FIAB Cc1nc(-c2ccccc2)nc2sc(C(=O)NCc3ccco3)c(C)c12 13693768 FRAIYXROTQSJIB-UHFFFAOYSA-N 363.442 4.498 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 5120427 XYVVHIZBMMSOMG-SNVBAGLBSA-N 360.262 4.042 0 40 FIAB Cc1cccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)c1C 5164472 DHKCQIXAKSEODA-UHFFFAOYSA-N 358.445 4.319 0 40 FIAB CCOc1ccccc1[C@@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 6357373 TUCDXOFJSOFFJW-GOSISDBHSA-N 371.506 4.342 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(Br)c1 20490997 WXEFTDJAJHVRIX-INIZCTEOSA-N 364.239 4.254 0 40 FIAB COc1ccc(-c2nn(CN3CCC[C@@H]3c3ccccc3)c(=S)[nH]2)cc1 14308377 CMCDXRXKBAGFCE-GOSISDBHSA-N 366.490 4.411 0 40 FIAB COc1ccccc1-n1cnnc1SCc1cc(-c2ccccc2)on1 8565474 OPVIBAVXCVWQLO-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB Cc1nc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c2c(C)c(C)sc2n1 4799459 IKXMQHDZAFPDIS-GHMZBOCLSA-N 363.552 4.213 0 40 FIAB O=C(NCCc1ccccc1F)N(Cc1ccco1)Cc1cccs1 17698160 LSDRAQXFXIFKOY-UHFFFAOYSA-N 358.438 4.435 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3cc(Cl)ccc3C)c2C)cc1C 6816190 PYQYNKHMQDHHNR-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB Cc1ccc(C(=O)C[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 4954236 JCEROBPQHDBUFY-FQEVSTJZSA-N 354.427 4.376 0 40 FIAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 5981317 PTXQMXORTOQQGC-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB COc1cccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)c1 9108898 ARZYZJWMLSPBGL-OAHLLOKOSA-N 353.809 4.213 0 40 FIAB CCc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)cn2)c1 78702924 QNMKGIIINOMTSB-OAHLLOKOSA-N 369.465 4.468 0 40 FIAB CN(C)c1cccc(C(=O)Nc2ccc(Sc3nncs3)cc2)c1 79834335 WVDKGYVFHBEGDQ-UHFFFAOYSA-N 356.476 4.008 0 40 FIAB c1cc2c(cc1C1(c3nnc(CC4CCCCC4)o3)CCOCC1)OCO2 75134662 VQBWFTUMRQTHEI-UHFFFAOYSA-N 370.449 4.018 0 40 FIAB C[C@H](O)c1ccc(-c2ccc(CN[C@H](C)[C@@H](O)c3ccccc3)o2)cc1 22108688 VYSXKPWWGYKNEV-ZMPRRUGASA-N 351.446 4.212 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 38756352 PATXNZPAKLQYOP-HXUWFJFHSA-N 372.896 4.155 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 38834796 RYIZGYAXOKEWAF-UHFFFAOYSA-N 368.477 4.188 0 40 FIAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)N(C)CC 36646124 JFIVWEXIIASODP-UHFFFAOYSA-N 366.483 4.379 0 40 FIAB COc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2c2cc[nH]n2)cc1 72395164 HJGRDBHPWWKQJS-ZWKOTPCHSA-N 369.415 4.080 0 40 FIAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2c(Cl)cccc21 225827952 DVAKTJWCNSWYMF-UHFFFAOYSA-N 359.828 4.479 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1C(C)C 223795203 ULTWVYPISBUFHZ-HXUWFJFHSA-N 355.478 4.471 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cc1 225921506 ZAFPSCNCIVPDFD-UHFFFAOYSA-N 361.463 4.226 0 40 FIAB COc1ccc(-c2[nH]nc(C)c2CC(=O)Nc2cccc(Cl)c2)cc1 44901023 NXQGDPNWBIJSGJ-UHFFFAOYSA-N 355.825 4.228 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(Cl)cc2F)c1 225514338 VBDZCODVBNPUPW-UHFFFAOYSA-N 356.180 4.100 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224449618 JAJYCWGFJBMZLT-FQEVSTJZSA-N 373.468 4.476 0 40 FIAB C[C@H](CNC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 224532798 CFJWAPWDCQSDFX-QGZVFWFLSA-N 370.924 4.472 0 40 FIAB COc1ccc(Cl)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584862 RWESUUNERWELMM-GOPGUHFVSA-N 359.882 4.333 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(C)c(C)c1 224885963 QJCJLHBMXBREEM-MRXNPFEDSA-N 367.898 4.395 0 40 FIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(OC)c3)N21 222646746 OQOJDEFNAWCCCX-GDIGMMSISA-N 369.490 4.078 0 40 FIAB CC1=C(C)[C@H](NCc2cccs2)N([C@H]2CCCc3ccccc32)C1=O 199411149 OWDVFDLAYYHLOV-VQTJNVASSA-N 352.503 4.420 0 40 FIAB Cc1ccc(CN2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)s1 96061436 INCYDGYYPIGMQW-IBGZPJMESA-N 354.519 4.037 0 40 FIAB CCc1nc2ccccc2n1Cc1noc([C@@]2(C)C[C@@H]2c2ccccc2)n1 580764977 BHXBVXHMRHRJCM-ZHRRBRCNSA-N 358.445 4.475 0 40 FIAB CC[C@@H](C(=O)N1CCC(Oc2ccncc2Cl)CC1)c1ccccc1 240067771 SAUOJZRTMJRWQM-QGZVFWFLSA-N 358.869 4.299 0 40 FIAB CN1Cc2ccccc2OC2(CCC(N(C)C[C@H]3CC=CCC3)CC2)C1 257324752 WPZLWBUBYGOAMQ-YGWXTMFKSA-N 354.538 4.480 0 40 FIAB CC(C)(NC(=O)C[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCCO2 585081106 SCINMQAZZBTTOC-WMZOPIPTSA-N 351.446 4.003 0 40 FIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)N(CC)CC 12690485 PJZDXUVBIDWVTP-AWEZNQCLSA-N 374.506 4.261 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13708412 LADRBTRDMFRKLV-OAHLLOKOSA-N 363.413 4.341 0 40 FIAB C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(F)cc1 14054276 RGGRJCITVWZNBZ-CYBMUJFWSA-N 367.399 4.130 0 40 FIAB COc1ccc(CC(=O)N2CCC(c3cc4ccccc4cn3)CC2)cc1 19554108 GAEMAJUKEXYCQY-UHFFFAOYSA-N 360.457 4.192 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c(C)c1 19928189 ODRUCDOSTDNGPT-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 169616559 FVNDZHBOQAXKLV-HFOBELJZSA-N 355.743 4.060 0 40 FIAB O=C1N/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccccc1F 3652766 IGKIHYDGMRARQQ-LDADJPATSA-N 362.360 4.179 0 40 FIAB CC(=O)O[C@@H]1[C@H](c2ccccc2)CC[C@H](c2ccccc2)[C@H]1OC(C)=O 106939182 FUSHLLXGTXLRMJ-CIAFKFPVSA-N 352.430 4.211 0 40 FIAB biogenic,in-vitro O=C(CCNc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 1322502686 UGVRCKTZXPTXNA-QHCPKHFHSA-N 374.484 4.251 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nccn2-c2ccc(F)cc2)c1 2723635 UAECSLJDHAZWOG-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(OC)c1 4033905 FTPMCWPNLDTGMY-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB COc1cccc(C(=O)Nc2nc3ccc(SC)cc3s2)c1OC 5299175 SSTZDVVQFGVMLK-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB Cc1cccc(NC(=O)Nc2nc(C(=O)Nc3cccc(F)c3)cs2)c1 9318637 QXXQEAUSJVYYRK-UHFFFAOYSA-N 370.409 4.487 0 40 FIAB O=C1S[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1 12112981 SPNBGMKYTXMBHF-ZDUSSCGKSA-N 370.327 4.483 0 40 FIAB O=C1C[C@H](c2nc(-c3ccccc3F)no2)CN1c1cccc(Cl)c1 12416186 XSFRVOLZQCRDBF-NSHDSACASA-N 357.772 4.050 0 40 FIAB COc1cccc(OC)c1CN[C@@H](Cc1cccs1)c1nccs1 19567133 SRJIUSRSQHHLEP-HNNXBMFYSA-N 360.504 4.295 0 40 FIAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(F)c(Cl)c1 10490203 WPPGCEUSQBTMJP-UHFFFAOYSA-N 368.846 4.100 0 40 FIAB C[C@H](C(=O)NCc1ccnc(Oc2ccccc2)c1)n1cnc2ccccc21 40110623 MGQJYNPDXAXYKA-MRXNPFEDSA-N 372.428 4.101 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(O)cc3)o2)c(C)c1 907310 SIXDFJPHYKMCOG-UHFFFAOYSA-N 369.446 4.098 0 40 FIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2659284 XUBDHRAGMPDSLV-GFCCVEGCSA-N 351.324 4.314 0 40 FIAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc4c(c3)OCCO4)nc21 2732170 FJHZDAPVDSQRBS-UHFFFAOYSA-N 363.339 4.217 0 40 FIAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1 3237145 XPQTXORKFIIUFH-UHFFFAOYSA-N 363.388 4.292 0 40 FIAB Cc1cccc(C)c1NC(=S)NN(C)C(=S)Nc1c(C)cccc1C 3253364 HMSIVHUOTCDWRO-UHFFFAOYSA-N 372.563 4.450 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)c1cc2ccccc2cc1O 3302653 LGNPLMOXSWIELX-UHFFFAOYSA-N 350.370 4.114 0 40 FIAB COc1ccc(NC(=O)[C@@H](NCc2ccco2)c2ccccc2)cc1Cl 3438885 UYJDWMVGNGUFCO-IBGZPJMESA-N 370.836 4.411 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)o2)cc1 4602245 SWQVKKGFRGSRSD-LLVKDONJSA-N 358.394 4.248 0 40 FIAB COc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 4890240 CAQAPRFYDMJPID-UHFFFAOYSA-N 365.458 4.128 0 40 FIAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3F)=NN12 5093577 QOYKGDXYXGESTA-HXUWFJFHSA-N 365.452 4.181 0 40 FIAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1 5235063 AJFBXLKRQLKINN-UHFFFAOYSA-N 368.886 4.232 0 40 FIAB CCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(CC)cc2)cc1 5992802 PQHXYEJOQMJVGT-UHFFFAOYSA-N 355.434 4.223 0 40 FIAB COc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccccc2)cc1 6414368 VUEMQVCSLDHTAY-HXUWFJFHSA-N 363.486 4.299 0 40 FIAB Cc1nc(NC(=O)COc2ccc3ccccc3c2)ccc1Br 6571274 ITMWCJOAJLFHOA-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc(Cl)c1OC 6798082 BWOSBECBHAACBL-DHDCSXOGSA-N 357.793 4.010 0 40 FIAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1 6849650 FPPSKLSVFGKMQD-NWSQWKLXSA-N 365.473 4.204 0 40 FIAB biogenic COc1cccc(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 6879375 WOROVZLOBQBMQR-FQEVSTJZSA-N 355.434 4.344 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CCSc1ccc(C)cc1 6879948 MTSVSGGXJQBSGK-UHFFFAOYSA-N 356.491 4.256 0 40 FIAB CCOc1cc(C(=O)Nc2ccccc2)cc(Br)c1OCC 6892283 XQMVEMNDAITDAV-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 7268888 BBUQVUANSMDEDV-XHDPSFHLSA-N 366.244 4.401 0 40 FIAB COc1ccc(CCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 7668578 ULXCJTPHQZABDS-UHFFFAOYSA-N 361.441 4.247 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(N2CCCCC2)cc1 7717474 DCAMPIBJTQAGQK-UHFFFAOYSA-N 366.461 4.069 0 40 FIAB C[C@@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCCCCC1 7875063 OLCXPTKIMLXIQZ-CQSZACIVSA-N 359.397 4.034 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7885025 NJWRFZSYZOSMDW-OAQYLSRUSA-N 374.396 4.195 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NCCCN4CCCCCC4=O)c23)C1 7974158 CIVQLJBQRAMDGC-CQSZACIVSA-N 372.538 4.021 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(F)c(Cl)cc1Cl 7989513 ACKLLRJMWKJPRV-QMMMGPOBSA-N 356.180 4.352 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(C)cc2)cc1OC 8411695 UZFLHLPEYVIHHC-UHFFFAOYSA-N 366.461 4.284 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccsc2-n2c(C)ccc2C)cc1 8508650 LQIKOHFQQFCHFU-UHFFFAOYSA-N 353.447 4.366 0 40 FIAB Cc1cc(C)c(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(Cl)c1 8851374 UKGOMKNECAEJRW-UHFFFAOYSA-N 369.852 4.500 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 9313846 IAMPEBYPWAYFOB-CYBMUJFWSA-N 370.453 4.145 0 40 FIAB CCn1c(Cc2ccccc2)nnc1SCc1cn2cccc(C)c2n1 9568740 YQLBMZNDZRLUHM-UHFFFAOYSA-N 363.490 4.137 0 40 FIAB O=C(Nc1ccc(NC(=O)c2cccc3cccnc23)cc1)c1ccco1 11212072 ZFDGFWWSDNEXEZ-UHFFFAOYSA-N 357.369 4.332 0 40 FIAB COc1ccc(CC(=O)N[C@H](CC(C)C)c2ccccc2)c(OC)c1OC 12822376 QUXPCBQAKFGUEW-GOSISDBHSA-N 371.477 4.159 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccco4)N(C)C)c23)C1 12856394 FXFXNZBMQSIEAG-OCCSQVGLSA-N 356.495 4.124 0 40 FIAB COc1ccc(OC)c(CN(Cc2ccc(F)cc2)Cc2cccnc2)c1 13569156 VUVWJFGOSTXJPX-UHFFFAOYSA-N 366.436 4.440 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 13684517 OUDFRAZCJLZIAZ-UHFFFAOYSA-N 368.477 4.356 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 13758787 WVABFNXIPMDRAJ-SJBKTWHCSA-N 371.427 4.473 0 40 FIAB O=C1C[C@@H](c2ccsc2)c2cnn(-c3ccc(Br)cc3)c2N1 14000898 JAJUSEBGEWRVLZ-ZDUSSCGKSA-N 374.263 4.170 0 40 FIAB CCc1cc(I)ccc1NC(=O)/C=C/c1ccco1 16161222 HIAQIAVFLADEQK-SOFGYWHQSA-N 367.186 4.099 0 40 FIAB O=C(CSc1ccccn1)c1cc2cc(Cl)cc(Cl)c2oc1=O 16545978 KWVSTZMMFQOCIW-UHFFFAOYSA-N 366.225 4.470 0 40 FIAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1C 22906986 HUNQOJAZKOJNGS-QFIPXVFZSA-N 374.484 4.426 0 40 FIAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)cc1OC 27834174 SPUZIXPJASNTFG-UHFFFAOYSA-N 356.422 4.085 0 40 FIAB Cc1nn(Cc2ccc(C(=O)N3c4ccccc4C[C@H]3C)o2)c(C)c1Cl 27981084 KHKMYLMNXUEUTL-GFCCVEGCSA-N 369.852 4.386 0 40 FIAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 29512706 UVCICAICECBLFJ-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB Cc1sc(CCN2CCCC2=O)nc1-c1ccc(Br)cc1 30447799 VBNSQNYBFLLIIC-UHFFFAOYSA-N 365.296 4.046 0 40 FIAB COc1cccc(CN(C)C(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)c1OC 31336666 XKPOCWOWLPEPSF-CIWSBSAOSA-N 355.434 4.092 0 40 FIAB CCC(=O)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 32608389 FDDXYDJFOMZELU-HNNXBMFYSA-N 371.824 4.066 0 40 FIAB COc1ccc(-c2cc(C(=O)OC[C@H]3CCCO3)c3ccccc3n2)cc1 32666407 NREITOUREGCKEK-QGZVFWFLSA-N 363.413 4.246 0 40 FIAB COc1ccc([C@@H]2N(C)C(=S)S[C@H](c3ccc(OC)cc3)N2C)cc1 34152440 NWSJPEOLHUGGLH-ZWKOTPCHSA-N 374.531 4.297 0 40 FIAB CN(CCOc1ccc(F)cc1)C(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 35316578 FPAMVRAFUFKBKA-CQSZACIVSA-N 374.456 4.116 0 40 FIAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 35671385 VBJPPLPWPSPXJZ-LLVKDONJSA-N 353.447 4.484 0 40 FIAB Cc1cccc(N2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)c1C 36077793 GVQQVDBLJCJQCH-UHFFFAOYSA-N 361.489 4.098 0 40 FIAB CSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)s1 39989102 UHVAXVPHGDFIEH-NSHDSACASA-N 351.497 4.098 0 40 FIAB C[C@@H](CC(=O)N[C@H](c1ccccc1)C1CCCC1)NC(=O)c1ccccc1 40152025 DXWZAEXYGOTBFI-HTAPYJJXSA-N 364.489 4.243 0 40 FIAB Cc1cccc(-n2cc(C(=O)OCc3ccncc3)c3ccccc3c2=O)c1 44167216 KQYOPIBTSMPWPJ-UHFFFAOYSA-N 370.408 4.051 0 40 FIAB O=C(CCN1CCC[C@@H]1c1ccsc1)Nc1ccnn1C1CCCC1 48235956 XOKUFQXZCXXERQ-QGZVFWFLSA-N 358.511 4.225 0 40 FIAB CN(Cc1ccsc1)C(=O)Nc1cccc(-c2nc(C3CC3)no2)c1 48300791 VCTNBZSYGJHVRG-UHFFFAOYSA-N 354.435 4.339 0 40 FIAB C=CCOc1cccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c1 50547761 NQSNMSOFSWIVCC-ATVHPVEESA-N 352.415 4.346 0 40 FIAB O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@@H]1CCCO1 55800111 DUZSCUDLTZIISL-SFHVURJKSA-N 370.518 4.233 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H](C)OCC(F)(F)F)CC1 58421712 VYWWEJVBJUCVLS-ZDUSSCGKSA-N 368.399 4.150 0 40 FIAB COc1ccc(-c2csc(CNC(=O)CCCc3ccccc3)n2)cc1 72264960 AMVPLOQUMXFRBB-UHFFFAOYSA-N 366.486 4.458 0 40 FIAB O=C(NCCc1nccs1)c1cc2ccc(Br)cc2s1 72405146 JQUIESXPHAQOLM-UHFFFAOYSA-N 367.293 4.093 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 79224941 JIBJZODXWUYPGD-HZPDHXFCSA-N 362.470 4.364 0 40 FIAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(C)c(C)s3)o2)n1 79491178 AXDKRBAPFNBIES-UHFFFAOYSA-N 374.491 4.304 0 40 FIAB Cc1oc(-c2ccco2)nc1CC(=O)N1C[C@@H](C(C)C)Nc2ccccc21 81794545 BWLNEGKXXPUKMQ-KRWDZBQOSA-N 365.433 4.269 0 40 FIAB Cc1ncsc1C(=O)NCc1ccc(N(C)c2ccccc2)c(F)c1 89565479 VCEIZSNBIIBZRC-UHFFFAOYSA-N 355.438 4.289 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@H](C(C)=C[C@H]1C)[C@H]2C 100743090 UFMOTNAISQKEDK-ZMWUJFKZSA-N 357.494 4.222 0 40 FIAB Fc1ccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3nnnc3N2)cc1 101122592 LHSXFFOKWMVMBB-CQSZACIVSA-N 362.195 4.175 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 218972157 JHSVLVKIJMKPAQ-SFHVURJKSA-N 355.478 4.299 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)S1 222622556 WOVUKKKQZPXSHH-YSGRDPCXSA-N 360.486 4.462 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSC3CCCCC3)cc2)n1 225287206 MHPZADRNWTVZMC-UHFFFAOYSA-N 371.550 4.344 0 40 FIAB O=C(Nc1ccccc1Cl)N1CC[C@@H](N2CCc3ccccc3C2)C1 225687826 ZQQIWSQXAOQCLI-QGZVFWFLSA-N 355.869 4.005 0 40 FIAB CC(C)n1nccc1C(=O)N1C[C@H]2[C@@H](Oc3ccc(Cl)cc3)CC[C@H]2C1 257250846 JOGZVPUVIYXPEN-YJLNNSPDSA-N 373.884 4.047 0 40 FIAB Cc1ccc(-c2cc(C)nc(SCC(=O)NC3CCCCC3)n2)cc1 408547174 SXRSYNGPLBVVFX-UHFFFAOYSA-N 355.507 4.301 0 40 FIAB COc1ccc(/C=C/C(=O)NCCSCc2cccc(C)c2)cc1OC 408925125 MPDXGDVNVPOCQX-CSKARUKUSA-N 371.502 4.075 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccncn3)CC2)cc1 585177735 OEOKHXDLEZWLKI-UHFFFAOYSA-N 373.456 4.221 0 40 FIAB COc1ccc([S@@](C)(=O)=NC(=O)c2cc3c(C)c(C)ccc3[nH]2)cc1 1303909234 ANIJCVSRQIVCFT-RUZDIDTESA-N 356.447 4.090 0 40 FIAB O=C([C@@H]1CCC[C@H]1c1ccccc1)N1CC(OCCCc2ccccc2)C1 1629171200 MOAOUSNPRZKORC-XZOQPEGZSA-N 363.501 4.431 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)c1csc(-c2ccccc2)n1 17984225 UUOQIBPJXPEFNM-UHFFFAOYSA-N 367.426 4.378 0 40 FIAB CC(=O)Nc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 2659071 PQFGBWCXCBYLMX-UHFFFAOYSA-N 352.415 4.126 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CCCCC2)nc1 1358219 FAOARWDVAXOSHH-UHFFFAOYSA-N 351.450 4.172 0 40 FIAB COc1ccc(-c2cc(CSCC(=O)NC3CCCCC3)on2)cc1 32778909 DSGQSFUHLPAMRX-UHFFFAOYSA-N 360.479 4.032 0 40 FIAB COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1 4248110 FPCQITUUMWEVDZ-NRFANRHFSA-N 373.408 4.402 0 40 FIAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 32854794 SMYWILUEFMHLKK-UHFFFAOYSA-N 354.406 4.164 0 40 FIAB Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 4853253 IBYSNVYCQRZYIY-XMHGGMMESA-N 362.454 4.466 0 40 FIAB COc1ccc(CCN(C)C(=S)Nc2ccc(Cl)cc2)cc1OC 6638092 ITPHHGIMAURAGY-UHFFFAOYSA-N 364.898 4.229 0 40 FIAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 6654584 SKFZZNILWKASPY-UHFFFAOYSA-N 374.554 4.342 0 40 FIAB CCCCn1nnnc1NCc1ccc(OCc2ccccc2Cl)cc1 7262170 JETSLVMNPPRLGB-UHFFFAOYSA-N 371.872 4.318 0 40 FIAB CNCCCNCc1cc(Cl)ccc1OCc1ccccc1Cl 8377014 NESAPRPROGLUIF-UHFFFAOYSA-N 353.293 4.272 0 40 FIAB CC(C)Cc1noc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)n1 32905478 NNMSIKMFOVPDIP-UHFFFAOYSA-N 354.381 4.217 0 40 FIAB O=C(CCn1ncc(=O)c2ccccc21)Oc1ccccc1-c1ccccc1 52935906 KAOVVJLNZGTAPV-UHFFFAOYSA-N 370.408 4.059 0 40 FIAB CCn1c(SCc2ccccc2)nnc1-c1ccc(NC(C)=O)cc1 59099154 SHCQXMDEZAZPAJ-UHFFFAOYSA-N 352.463 4.216 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc2)n1 104118608 KRLUYWTXUUIGGD-BSXOQXRQSA-N 371.506 4.225 0 40 FIAB CC(C)(C)c1cc(NC(=O)CNc2ccc(SC(F)F)cc2)on1 58172851 LJTGNMZISMEYOR-UHFFFAOYSA-N 355.410 4.337 0 40 FIAB CC(C)c1ccc(NC2=NN=C(c3ccc4c(c3)CC(=O)N4)CS2)cc1 12596048 UARHFJSIUNGLQG-UHFFFAOYSA-N 364.474 4.224 0 40 FIAB C[C@H](NC(=O)COC(=O)C1(c2ccccc2F)CCCC1)c1ccccc1 3291133 GHIRCYBFQHWHBB-INIZCTEOSA-N 369.436 4.058 0 40 FIAB O=C(NCc1cccnc1)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 25525857 XQGGZTQNGAPEOS-JKSUJKDBSA-N 351.475 4.282 0 40 FIAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc2ccccc12 3292932 FMWSGKYLBVGOQL-UHFFFAOYSA-N 352.821 4.252 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1 3316768 ZVXHBPQCSHSQLK-UHFFFAOYSA-N 368.458 4.028 0 40 FIAB COC(=O)c1ccc(Oc2nc3ccccc3nc2-n2nc(C)cc2C)cc1 2269791 RWIAJWUGAIESRQ-UHFFFAOYSA-N 374.400 4.011 0 40 FIAB Cc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccs2)c1 2269930 BLOCHTUMEJPUDW-VBKFSLOCSA-N 352.415 4.059 0 40 FIAB C[C@@H](NC(=O)c1cc2c(nc3sccn32)s1)c1cc(F)ccc1F 48253783 DORRWDAOHGNXFU-MRVPVSSYSA-N 363.414 4.380 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3ccccc3Cl)s2)cc1 28287648 WXYIPPOUQYSSAO-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB CCc1cc(C(=O)N[C@H](C)CC)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621653 MNIUNEZYROOWAJ-CQSZACIVSA-N 362.477 4.389 0 40 FIAB O=C(Nc1ccc(F)c(F)c1F)c1cc(C2CC2)nn1-c1ccccc1 12808938 SURUIBILPQEKCP-UHFFFAOYSA-N 357.335 4.419 0 40 FIAB C[C@@H]1CN(Cn2nc(Nc3ccccc3Cl)sc2=S)C[C@@H](C)O1 12889333 ABKJTILUZYCBCA-GHMZBOCLSA-N 370.931 4.138 0 40 FIAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(N2CCCC2=O)c1 12997489 JXDQMCXJIRTTCO-UHFFFAOYSA-N 363.442 4.189 0 40 FIAB CC(C)Cn1nc(NC(=O)COc2ccccc2)c2cc3ccccc3nc21 9328881 SLMRHXXWVXKCFG-UHFFFAOYSA-N 374.444 4.258 0 40 FIAB O=C(C[C@H](O)c1cccn(-c2ccccc2)c1=S)c1ccccc1O 4115531 JVHKPZVXOGAMKH-IBGZPJMESA-N 351.427 4.219 0 40 FIAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 4184359 WXSZXQYXTUUIRO-UHFFFAOYSA-N 372.578 4.018 0 40 FIAB aggregator CCCOC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 6083113 AUXNDVYFYRCVNO-UHFFFAOYSA-N 350.418 4.306 0 40 FIAB O=C(NC1CCCCC1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 5165720 OZLWTMKPMBAFMS-HKWRFOASSA-N 366.436 4.046 0 40 FIAB CCC1(CC)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O 4308252 OOULLIDYCAATLM-UHFFFAOYSA-N 356.466 4.028 0 40 FIAB Cc1ccc(NC(=O)COCC(=O)Nc2ccc(C(C)C)cc2)cc1Cl 13943754 JSUGKYSKNABGOR-UHFFFAOYSA-N 374.868 4.366 0 40 FIAB COCCNC(=S)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408574242 LEMSYDRYOIRCHR-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB CCC(=O)n1nc(NCc2ccc(C)cc2)nc1NCc1ccc(C)cc1 4704919 SALMRVUKPKZZMA-UHFFFAOYSA-N 363.465 4.169 0 40 FIAB N=c1sc(-c2ccccn2)nn1-c1c(Cl)cc(Cl)cc1Cl 4771884 OPXIKECTCFBTQG-UHFFFAOYSA-N 357.653 4.435 0 40 FIAB CCCC12CN3CC(CCC)(CN(C1)C3c1c(C)[nH]c3ccccc13)C2=O 19323282 ZLMYVFSXSLAGMQ-UHFFFAOYSA-N 365.521 4.262 0 40 FIAB biogenic O=C(O)CC1(CC(=O)Nc2ccc(Br)cc2)CCCCC1 4980044 MVAGRHHBFPXMCX-UHFFFAOYSA-N 354.244 4.203 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 5928567 HVKZUYMYJQFVGN-FMIVXFBMSA-N 370.880 4.101 0 40 FIAB COCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7525634 FQLIBCIAXBBARW-KRWDZBQOSA-N 366.486 4.463 0 40 FIAB NC(=O)c1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCC2 408629305 WFUYRKZVUFDBLI-UHFFFAOYSA-N 370.861 4.395 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(N4CCCC4)cc3)c2O1 9471204 QNEQHVLCCKFKDA-UHFFFAOYSA-N 366.461 4.018 0 40 FIAB Cc1cc2occ(CC(=O)Nc3ccnn3Cc3ccccc3)c2cc1C 9451741 QHKKRDMOOAHFAQ-UHFFFAOYSA-N 359.429 4.476 0 40 FIAB CCOc1ccc(-c2[nH]c(=Nc3ccccc3F)sc2CC(=O)O)cc1 408879792 FQTVDGSHAYHBHL-UHFFFAOYSA-N 372.421 4.141 0 40 FIAB Cn1c(C(=O)Nc2nc(-c3ccccn3)cs2)cc2cc(F)ccc21 72403104 CFTWGPXZBHGNRA-UHFFFAOYSA-N 352.394 4.088 0 40 FIAB O=S(=O)(Nc1cnoc1-c1ccccc1)c1cc(Cl)ccc1Cl 95454513 FSAXOEDBEYRTLM-UHFFFAOYSA-N 369.229 4.449 0 40 FIAB Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1ccc(F)cc1F 75104131 HDIJYFFVRIILGV-SFHVURJKSA-N 356.372 4.229 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140991 GXVUDRDYLWGBFF-UHFFFAOYSA-N 372.425 4.349 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1 408678289 IGTKJPXRKATFNG-SFHVURJKSA-N 357.519 4.429 0 40 FIAB CC[C@@H](C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 2560249 IQIOLCJHRZWOLS-VLIAUNLRSA-N 367.445 4.367 0 40 FIAB biogenic,in-vitro Cc1cc(-c2cnc(N3C[C@H](C)O[C@@H](C)C3)nc2-c2ccc(C)s2)on1 72337393 NISARHOANDYHCE-STQMWFEESA-N 370.478 4.091 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(Cl)c(C)c2)cc1 72217819 OHOPGPPNQGUOJJ-KRWDZBQOSA-N 364.898 4.268 0 40 FIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 72378954 BQNILZGURGKZIF-GOSISDBHSA-N 366.509 4.287 0 40 FIAB CC(=O)c1cn(CC(=O)Nc2ccccc2Br)c2ccccc12 36360572 DXSBDWQUUHQFJC-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 216414705 UGNFMXDBVUJZBD-AWEZNQCLSA-N 374.868 4.276 0 40 FIAB Cn1cccc1CN(Cc1cccs1)C(=O)c1cc(-c2ccco2)on1 49521749 XLSCXVFLFNRJFY-UHFFFAOYSA-N 367.430 4.177 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)NCc3ccccc3Cl)o2)cc1 224852107 FDODYHYUKTVGOZ-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB COC(=O)c1cc(NC(=S)NC2(C(C)C)CCCC2)ccc1Cl 225861534 MRTARNJMMILFAM-UHFFFAOYSA-N 354.903 4.382 0 40 FIAB CCOc1cc(CNC(=S)Nc2ccc(Cl)cc2)ccc1OC 225770059 CWQQQYKHYTVPJO-UHFFFAOYSA-N 350.871 4.234 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 225476722 IICCVYZLOWTWOC-QGZVFWFLSA-N 367.367 4.188 0 40 FIAB O=C(O)c1ccccc1CCN1CCC(c2nc3ccccc3s2)CC1 514791130 FNFFXLHTOZXIQR-UHFFFAOYSA-N 366.486 4.417 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccccc1OC(C)C 96222687 YSGBVMRJEDBNPB-MRXNPFEDSA-N 364.397 4.330 0 40 FIAB biogenic COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 5296469 JOVMGMZFXVTCIX-LMNJBCLMSA-N 371.502 4.265 0 40 FIAB c1ccc(CC[n+]2ccc(-c3cc[n+](CCc4ccccc4)cc3)cc2)cc1 5603065 UCDUNTUBFXQVMF-UHFFFAOYSA-N 366.508 4.414 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC 15940965 DVPCSDVONJNFMI-UXBLZVDNSA-N 374.440 4.342 0 40 FIAB CCCn1nc(C)c(-c2cncn2CCCc2ccccc2OC)c1C 19654508 ULWKKXWYRRAGGF-UHFFFAOYSA-N 352.482 4.415 0 40 FIAB CCOc1cc(/C=C/C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OC 7309920 ZILDUDPMTUSSOO-UXBLZVDNSA-N 361.825 4.408 0 40 FIAB Cc1ccc([C@H](O)CN2CCC(c3noc4cc(F)ccc34)CC2)c(C)c1 19132396 VFSPRFNJAXIODC-HXUWFJFHSA-N 368.452 4.497 0 40 FIAB Cc1cc(NC(=O)c2ccc(Br)o2)ccc1Br 623252 BXRLTSPOLLRESS-UHFFFAOYSA-N 359.017 4.365 0 40 FIAB CC(C)=CCN1C(=O)N(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc21 1889104462 FXQUVNIFOULCFJ-UHFFFAOYSA-N 370.474 4.405 0 40 FIAB Cc1cc(Br)ccc1NC(=O)CSc1ccccc1N 37022344 JWDDHXCBOWKZGK-UHFFFAOYSA-N 351.269 4.071 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 855279 NJZLGCCEYJZWRH-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB COc1ccccc1-c1cnn2c(N3C[C@H](C)C[C@@H](C)C3)cc(C)nc12 7636244 SFFABMJRHCUJQI-HUUCEWRRSA-N 350.466 4.196 0 40 FIAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)CC(C)C)cc3)nn2)n1 13009798 IIVVHZKLVLPQTO-UHFFFAOYSA-N 364.453 4.007 0 40 FIAB CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Oc3ccncc3)C2)cc1 575611212 CPURFJLHGZRVLT-IBGZPJMESA-N 370.518 4.195 0 40 FIAB CCCc1cc(=O)n2nc(COc3ccccc3)c(-c3ccccc3)c2[nH]1 8739709 XPJQLWNEADULMX-UHFFFAOYSA-N 359.429 4.221 0 40 FIAB CN(C)c1ccc(NC(=O)c2ccc(OCc3cccs3)cc2)cn1 32298823 OHLMFDSFHSTHSO-UHFFFAOYSA-N 353.447 4.040 0 40 FIAB COc1cccc(NC(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)c1 1017263 BGQBGIKORUTFQL-UHFFFAOYSA-N 355.434 4.163 0 40 FIAB CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 1088042 MDJRZSNPHZEMJH-IVPNHWPWSA-N 374.521 4.059 0 40 FIAB biogenic CCC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1 1224379 WIJYIPRTWUWHJH-UHFFFAOYSA-N 365.458 4.331 0 40 FIAB O=C(c1ccc(F)cc1)C1CCN(C(=S)NCC[C@H]2C=CCCC2)CC1 1337066 SLPOMSAGZBEGRO-INIZCTEOSA-N 374.525 4.341 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2cc(C)ccc2C)cc1 1980665 RMMAXFPAIZLIMY-UHFFFAOYSA-N 356.491 4.176 0 40 FIAB CC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2090827 ULSDQHPHOSJHIH-INIZCTEOSA-N 350.414 4.357 0 40 FIAB biogenic CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccccc2)s1 2887821 QLEGNCCWASPSOY-UHFFFAOYSA-N 351.475 4.347 0 40 FIAB COc1cccc(-c2nnc(SCC(=O)c3cc(C)ccc3C)n2C)c1 3534093 KXPZDLVBWOFWDB-UHFFFAOYSA-N 367.474 4.083 0 40 FIAB CCCC(=O)N1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1 4223078 QVPXFQBOTNGEKL-UHFFFAOYSA-N 374.488 4.054 0 40 FIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)c1 4479489 WBUFODNULBLODG-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815066 XTMUERKEFYWZCR-MSOLQXFVSA-N 352.825 4.019 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Cl 5152730 CRZGYCKYRPRCCI-IBGZPJMESA-N 366.848 4.467 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nccn3C)n2)cc1 5358496 JEOYTPIRDUFNOL-GFCCVEGCSA-N 372.519 4.225 0 40 FIAB CCCn1c2ccc(C)cc2c2nnc(SCCN3CCCCC3)nc21 5484669 OXRXWSVQXZNEED-UHFFFAOYSA-N 369.538 4.276 0 40 FIAB aggregator C[C@H](Sc1nc2ccccc2o1)C(=O)NC12CC3CC(CC(C3)C1)C2 5628793 QYJOFQGYLKLQCZ-PGBBXINNSA-N 356.491 4.393 0 40 FIAB CCOc1cc(C(=S)N2CCCCC2)cc(Br)c1OC 6155365 VUVWXJUBONHIPZ-UHFFFAOYSA-N 358.301 4.018 0 40 FIAB Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(Br)c1 6316105 BJMBFTYAPQSFKJ-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB Cc1ccc(C(=O)N(C)Cc2cccs2)cc1NC(=O)c1ccco1 6602943 VBRDNMMSKHCEJV-UHFFFAOYSA-N 354.431 4.174 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 6609280 QAYBSEMKHGNNCE-JTQLQIEISA-N 366.918 4.335 0 40 FIAB CSc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 7777425 FKAQNXBKLKAARA-UHFFFAOYSA-N 360.822 4.469 0 40 FIAB COc1cc(OC)c(OC)cc1CNc1ccc(C)cc1Br 8036206 ZCTFQSNTRKBNEA-UHFFFAOYSA-N 366.255 4.395 0 40 FIAB COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 8161465 RPSORZRWLGNQSK-NTEUORMPSA-N 363.200 4.099 0 40 FIAB Cc1cc(NC(=O)c2cccs2)c(C)cc1I 8333957 XDOYBDSTMOPGKU-UHFFFAOYSA-N 357.216 4.222 0 40 FIAB O=C1C[C@@H](c2ccc3ccccc3c2)c2c(nc(-c3ccccc3)[nH]c2=O)N1 9065604 JSCNZACIOUHFCP-SFHVURJKSA-N 367.408 4.064 0 40 FIAB CCc1ccc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1 10336586 BGQBPRSCPAWLEP-HNNXBMFYSA-N 367.836 4.473 0 40 FIAB Cc1cc(NC(=O)CSc2ccc3ccccc3n2)n(-c2ccccc2)n1 10962492 JVODFMOXNHPFGN-UHFFFAOYSA-N 374.469 4.460 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)N1[C@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 12159818 IKQBVBCRAZQDLL-JLYLLQBASA-N 367.420 4.148 0 40 FIAB O=C(NCc1cc(-c2cccs2)on1)c1cccc(C(F)(F)F)c1 12235788 GMCZFDBFRAGBPD-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB Cc1onc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)c1C 12372702 HAODYSGPCRTSKU-UHFFFAOYSA-N 372.428 4.074 0 40 FIAB Cc1ccc(-c2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)no2)cc1 12777627 WFIJGRZHRSXESF-KRWDZBQOSA-N 369.490 4.288 0 40 FIAB FC(F)(F)c1cccc(CN(Cc2ccccn2)C[C@H]2CCCO2)c1 13990465 VSDHAOYZYVWTKD-GOSISDBHSA-N 350.384 4.282 0 40 FIAB C[C@@H](OC(=O)COc1ccc2ccccc2c1)C(=O)c1ccc(F)c(F)c1 14674460 SIEXNNUISGNCKQ-CYBMUJFWSA-N 370.351 4.311 0 40 FIAB Cc1ccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)cc1 15840421 AMAPVXLNATXXIE-UHFFFAOYSA-N 366.461 4.461 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(CN3CCCC3)cc2)ccc1Cl 17074048 BSBPCOYGPXHWEV-UHFFFAOYSA-N 358.869 4.262 0 40 FIAB Cc1ncc(CN2CCO[C@@H](c3ccc(Cc4ccccc4)cn3)C2)s1 19692272 PPWMGHFCPPHSMW-OAQYLSRUSA-N 365.502 4.011 0 40 FIAB N=c1n(CC(=O)c2ccco2)c2ccccc2n1Cc1ccc(Cl)cc1 19879806 MXJDBUDBAGXZMB-UHFFFAOYSA-N 365.820 4.100 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2cnc(Nc3ccc(C)cc3)nc2C1 20102234 OVHICGTVCWJALG-HNNXBMFYSA-N 359.429 4.450 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1c(Cl)cccc1Cl)CC(O)=N2 20730641 BGCKKPRCIVHSEK-JTQLQIEISA-N 374.231 4.401 0 40 FIAB Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NCc3ccccc3)nc21 21873524 OVFFOAARNRADRP-UHFFFAOYSA-N 364.840 4.372 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)cc(OC)c1 24034072 QWCAUJPSRLASTD-NSHDSACASA-N 369.339 4.129 0 40 FIAB O[C@@H](COc1ccccc1)Cn1c(CCc2ccccc2)nc2ccccc21 27755764 HXIDFQGEEKZYTR-HXUWFJFHSA-N 372.468 4.261 0 40 FIAB Clc1ccccc1N1CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1 32850905 RHCBARSUTVVDBE-UHFFFAOYSA-N 365.260 4.044 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 33134258 RSOURNZEVBEKSP-WBMJQRKESA-N 367.276 4.279 0 40 FIAB O=C1/C(=C/c2c(Cl)cccc2Cl)NC(=S)N1c1ccccc1F 39515959 VMHMPIASKFKMFI-JYRVWZFOSA-N 367.232 4.395 0 40 FIAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1cc(F)ccc1F 40287320 YWQYGZXWYKVXFC-ZDUSSCGKSA-N 355.344 4.283 0 40 FIAB Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 40485923 AMGUDPVWBSQIHM-NRFANRHFSA-N 356.425 4.443 0 40 FIAB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(Cl)c1 44087322 RQRCNZLOHIFALP-UHFFFAOYSA-N 371.893 4.339 0 40 FIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(-n2cc[nH]c2=S)cc1 47536822 XZXDFORNBXQWGG-UHFFFAOYSA-N 363.486 4.387 0 40 FIAB O=C(O)[C@H]1c2ccccc2C(=O)N(CCc2ccccc2)C12CCCCC2 49467024 JZSQOUYVEOSGQS-HXUWFJFHSA-N 363.457 4.256 0 40 FIAB C[C@@H](CC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccccc1 55425767 XYXQWDLKAJFJRU-IBGZPJMESA-N 373.500 4.073 0 40 FIAB C[C@@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C1 57742100 NJGNECZXRLDMAM-OAHLLOKOSA-N 374.444 4.171 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)CCc1nc(-c2cccs2)no1 58103958 QWPGBPRAUJLTSF-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB O=C(N1CCc2ccccc21)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 58367159 CGLPYMCZVYGWRO-HXUWFJFHSA-N 374.406 4.030 0 40 FIAB C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 61739312 NFUWUQLLBSQBLH-SNVBAGLBSA-N 370.758 4.175 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cnc3ccccc3c2)cc1C 64647671 IMOCKVMGNQZLJI-OAQYLSRUSA-N 373.456 4.154 0 40 FIAB COc1ccc(-c2nnc(Cc3nc(-c4ccc(Cl)cc4)no3)o2)cc1 65185385 CAOIRKHKOSWUFC-UHFFFAOYSA-N 368.780 4.039 0 40 FIAB Nc1[nH]nc(Nc2ccccc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 66087405 KOLNZGITWZWSJJ-UHFFFAOYSA-N 361.327 4.007 0 40 FIAB CCc1cc(Nc2ccc(N(C)C(=O)OC)cc2)nc(-c2ccccn2)n1 68691555 FISPEBQQXNQLSN-UHFFFAOYSA-N 363.421 4.047 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72214326 OQQSAHHPCLSTHC-QGZVFWFLSA-N 367.449 4.406 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccccc1 75359565 ZVSBEWOWEMTBDM-ZDUSSCGKSA-N 355.825 4.200 0 40 FIAB CCO[C@H]1C[C@H](NC(=O)Cc2csc(-c3ccc(C)o3)n2)C12CCCC2 76068026 RAJGTOIHTZFBNM-IRXDYDNUSA-N 374.506 4.108 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccccc1 78578977 SHGKYWBYXQQNJM-VAWYXSNFSA-N 353.809 4.062 0 40 FIAB O=C1[C@@H](Oc2ccc(F)cc2Cl)CCN1c1ccccc1OC(F)F 78814305 KTGMBBKFQPAIHM-HNNXBMFYSA-N 371.742 4.265 0 40 FIAB CCCNC(=O)[C@@H]1c2ccccc2C(=O)N([C@H](C)CC)C12CCCCC2 79487711 UMVVVNFHOKRPPJ-APWZRJJASA-N 356.510 4.254 0 40 FIAB O=C(CCc1ccncc1)Nc1ccc(Oc2ccc(Cl)cn2)cc1 80949290 FXAOXFAGAPWKDG-UHFFFAOYSA-N 353.809 4.494 0 40 FIAB C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cnc2n1CCCC2 89941487 ATLKBRLSUQLDSL-LLVKDONJSA-N 364.276 4.286 0 40 FIAB Cc1cccc2c1OCCC[C@H]2NCc1ccc(O)c(Br)c1 97032886 VDUOZGHJLQVMEM-MRXNPFEDSA-N 362.267 4.467 0 40 FIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100664039 JHMZBEBSHAZNNI-ZQMBKUMFSA-N 371.436 4.345 0 40 FIAB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccccc1 106687621 LICFMJYRCLIPEQ-YVLHZVERSA-N 363.394 4.030 0 40 FIAB Cc1nc(N2CCC[C@H](C)C2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 108555619 HGPQFQNQSNSMIB-WEMREZNISA-N 361.489 4.480 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1OC(F)F 110509158 LZWLNHJJYCYJLW-WDHFGGHWSA-N 353.409 4.251 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1C 136530649 INJQIKCCJSZWFI-ROUUACIJSA-N 374.440 4.011 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 216356478 FWTOZGFCVJTVBB-INIZCTEOSA-N 368.296 4.020 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c(C)c1 219068623 LMZZXGKMVUKAEU-INIZCTEOSA-N 355.434 4.195 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 219499847 WCIARJPEFXCBCG-APWZRJJASA-N 371.477 4.375 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cc2ccccc2o1 219951415 KXYZOXSBLHFUMP-UHFFFAOYSA-N 353.403 4.207 0 40 FIAB O=C(NCC1=CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 223414455 ZCAVENGYJDCSCZ-UHFFFAOYSA-N 360.501 4.475 0 40 FIAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)COc1ccccc1 224336586 NVYPBEAHFZUOAA-UHFFFAOYSA-N 367.380 4.042 0 40 FIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225845571 ITLUZAYLISAGKC-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB Cc1cnc(C2(C)CCN(C(=O)c3cccc4ncccc34)CC2)s1 257319437 VSNVIUBYYGUGCF-UHFFFAOYSA-N 351.475 4.194 0 40 FIAB CCOc1cccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260735485 JCKGBEVDPVDKHI-MRXNPFEDSA-N 369.534 4.213 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nc(O)c3c(C)csc3n2)c1 408596641 SSVZXFNFUQTBLT-UHFFFAOYSA-N 359.476 4.053 0 40 FIAB CCOC(=O)C1=C(c2ccccc2)NC(SCC)=N[C@H]1c1ccccc1 408993933 XOKJJGPLUUUKHB-SFHVURJKSA-N 366.486 4.414 0 40 FIAB Cc1nc(Nc2ncc(-c3ccccc3)s2)cc([C@H]2CCCNC2)n1 585263272 UMLRGCQGXBOHJB-HNNXBMFYSA-N 351.479 4.119 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)o1 679025854 RIPXDENPJCDKSQ-GOSISDBHSA-N 353.397 4.199 0 40 FIAB COc1ccc(C(=O)N2CCn3c4c(c5cc(C)ccc53)CCC[C@@H]42)cc1 1069354 ZOTARECBXXTOAH-NRFANRHFSA-N 360.457 4.492 0 40 FIAB COc1c(Cl)ccc(Cl)c1C(=O)NC(=S)Nc1ccccc1 1443791 GTSCNQWPRFGQBG-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB c1ccc(OCC(COc2ccccc2)OCCN2CCCCC2)cc1 1586345 ZANRRXVGIWDBEC-UHFFFAOYSA-N 355.478 4.016 0 40 FIAB Cc1cccc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2)c1 2148113 URRJQTBXKJVPNP-UHFFFAOYSA-N 352.386 4.006 0 40 FIAB biogenic CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C 2500384 FPBQKZCCEPUYOZ-UHFFFAOYSA-N 355.463 4.121 0 40 FIAB CSc1ncccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 2646018 RIDCDMWMQKDTAL-UHFFFAOYSA-N 366.471 4.432 0 40 FIAB CCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1c(F)cccc1Cl 2721342 HLAAYLNVZSGPLY-GFCCVEGCSA-N 359.832 4.464 0 40 FIAB COc1cc(CC(=O)Nc2ccc(Cl)cc2Cl)cc(OC)c1OC 3410938 LRFPYNMRYUNWGG-UHFFFAOYSA-N 370.232 4.200 0 40 FIAB O=C(c1ccccc1)c1cc(Br)c(O)c(Br)c1 3850594 RUGSIQILWPTQDI-UHFFFAOYSA-N 356.013 4.148 0 40 FIAB biogenic CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)C(C)(C)C)cc1 4113558 AHUCDPRIRXLWBC-KBXCAEBGSA-N 374.481 4.081 0 40 FIAB COc1ccc2nc(SCC(=O)N[C@@H](C)c3ccc(C)c(C)c3)[nH]c2c1 4252184 WYNUUDLOJLZCSM-AWEZNQCLSA-N 369.490 4.158 0 40 FIAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1cccc(Cl)c1 4315574 LSYCWOVVILRZHW-UHFFFAOYSA-N 357.866 4.252 0 40 FIAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1F 4600982 HQBNVWVORRGYLM-HSZRJFAPSA-N 374.415 4.016 0 40 FIAB CN(C)CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 4950721 AGLFJWNOCJBJBU-UHFFFAOYSA-N 354.390 4.443 0 40 FIAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 5054316 ZFSVWBAEJYQCRS-INIZCTEOSA-N 363.461 4.221 0 40 FIAB CSc1cccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 5222516 HZBWIRRVNFGUTN-UHFFFAOYSA-N 357.460 4.229 0 40 FIAB CCCC[C@H](CC)CN[C@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)O 5258193 AQRMKBDWTNVPES-WMLDXEAASA-N 368.905 4.236 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)CC(C)(C)C)c1 5259052 VNKRJMVSFDGVRE-UHFFFAOYSA-N 367.424 4.208 0 40 FIAB O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc(Br)s1 5308776 WUZDPDLBVLPSJF-UHFFFAOYSA-N 371.277 4.101 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 5331310 XZDXPMKQCGGTCR-UHFFFAOYSA-N 350.249 4.348 0 40 FIAB O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc2nccnc2c1 5419869 XPOLHXANEHJOMC-UHFFFAOYSA-N 363.200 4.172 0 40 FIAB CC1=C[C@@H](C/C(C)=C/COc2c3occc3cc3ccc(=O)oc23)OC1=O 5767607 XVVBVBKVMMNZHB-MISVVRGBSA-N 366.369 4.126 0 40 FIAB biogenic,in-vitro Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2C)cc1C 6139882 XRHBBSPWWIZTTJ-UHFFFAOYSA-N 351.475 4.382 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 6880007 OUJPFISTNMGEOR-OAHLLOKOSA-N 356.491 4.254 0 40 FIAB COc1cccc(C(=O)c2sc3nc4c(cc3c2N)CCCCC4)c1 6887112 JANMMNPKKZCMFZ-UHFFFAOYSA-N 352.459 4.387 0 40 FIAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)NC(C)(C)C 7815362 XUSSEWCDPROTGB-CYBMUJFWSA-N 374.554 4.175 0 40 FIAB COc1ccc2cc(CN(C)Cn3nc(C4CC4)n(C)c3=S)ccc2c1 8184750 FGWDTWGDQZLEGC-UHFFFAOYSA-N 368.506 4.080 0 40 FIAB CCc1ccc(OCC(=O)N(C)Cc2ccccc2)c(Br)c1 8199788 IVOIQMHIEYISCD-UHFFFAOYSA-N 362.267 4.049 0 40 FIAB Cc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(F)c1 8280461 HNVHJZRZSYFJOZ-UHFFFAOYSA-N 351.303 4.141 0 40 FIAB CCCCN(CC)Cc1c(C)nc2ccc(C(=O)OCCC)cc2c1O 8717190 KIKZCJQKRGLBMQ-UHFFFAOYSA-N 358.482 4.438 0 40 FIAB Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4)no3)CC2=O)cc1Cl 9318522 XPXHUCDWPLBQNT-AWEZNQCLSA-N 353.809 4.219 0 40 FIAB O=C(Nc1cccc(Br)c1)c1ccc(CN2CCCC2)cc1 10333161 OKYHKBKTQDYBOS-UHFFFAOYSA-N 359.267 4.297 0 40 FIAB OC1(c2ccccc2F)C[C@@H]2CC[C@H](C1)N2CCCOc1ccccc1 12144504 GDJZQDGBGLRMFP-VSOVRNOCSA-N 355.453 4.109 0 40 FIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 12552427 QFLZOJRTIKKWPS-OAHLLOKOSA-N 372.490 4.128 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)C(C)(C)C)cc1)C(=O)Nc1cccc(F)c1 12590016 VFHFJZXLCTWOBK-CYBMUJFWSA-N 357.429 4.249 0 40 FIAB O=C(NCCc1nc2ccccc2[nH]1)c1ccccc1Nc1ccccc1 12604049 PFUIICREKZFQBY-UHFFFAOYSA-N 356.429 4.279 0 40 FIAB COc1cc(C)c(NC(=O)c2csc(-c3cccs3)n2)cc1OC 12767960 LYPFZYMGKCKHLY-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB CCCc1noc(CSc2nnc(-c3ccccc3F)n2C2CC2)n1 12784845 UOLSFMWGEDGAHV-UHFFFAOYSA-N 359.430 4.047 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2F)c1 12799794 GFKIDQUMSPSKJT-VSRDTVRMSA-N 355.409 4.220 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC1CCN(Cc2ccccc2)CC1 12998473 RFZBBYNGAGHBMH-UHFFFAOYSA-N 358.485 4.163 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 13709696 QVSHXKLHPHPXJW-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB Clc1ccc(OCc2nnc(-c3ccc(Br)o3)o2)cc1 14023254 QJMVTBBQTFEQQY-UHFFFAOYSA-N 355.575 4.325 0 40 FIAB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 14212449 GCTZYQWRTHXAAC-UHFFFAOYSA-N 363.436 4.311 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3)s2)cc1OC 14255075 PWXBKYJNBCQSEG-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 14258404 MRHVOPRIXWIMRR-UHFFFAOYSA-N 360.841 4.485 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)Cc1nc(-c2ccccc2)oc1C 14899870 FKRVFEHBYHVPKX-CQSZACIVSA-N 350.418 4.079 0 40 FIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(F)c1 16284466 QOVVZUGADDPGTL-UHFFFAOYSA-N 364.355 4.259 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3n2)cc1 18038426 DJWLZRDQJQZOMH-CALCHBBNSA-N 360.457 4.460 0 40 FIAB O[C@@](/C=C/c1ccc(Cl)cc1Cl)(Cn1ccnc1)c1cccnc1 18191394 YHAHQXULDGXJHH-QWNKOJSDSA-N 360.244 4.186 0 40 FIAB Cc1ccccc1CN(C)C1CCC2(CC1)CNCc1ccccc1O2 19237139 RVPJRMKDFZFECS-UHFFFAOYSA-N 350.506 4.290 0 40 FIAB CN1CCc2c(sc3ncn4nc(-c5cccc6ccccc56)nc4c23)C1 20566586 RSROUEMDXHTGLA-UHFFFAOYSA-N 371.469 4.147 0 40 FIAB O=C(COc1ccccc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 20899930 KGYHQVVUMVQMEB-UHFFFAOYSA-N 371.396 4.421 0 40 FIAB CC(C)c1ccc([C@H](C)NC(=O)CCc2nc(-c3ccncc3)no2)cc1 23100802 QYFSPLAOGJRCJK-HNNXBMFYSA-N 364.449 4.065 0 40 FIAB C[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 23186793 ARQIQXGIRJSBBM-HSZRJFAPSA-N 374.415 4.460 0 40 FIAB C[C@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(F)cc1 24753703 CWKPBUFBMCMCCL-LBPRGKRZSA-N 374.412 4.491 0 40 FIAB CCCCN(C)C(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1N 27789205 UQYXQIPSDCZJAZ-UHFFFAOYSA-N 354.479 4.121 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 27909856 KZAZSAFCLWYVKU-GOSISDBHSA-N 364.470 4.332 0 40 FIAB CCOCCCNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 27976554 FIFODLSGEATVPC-UHFFFAOYSA-N 364.445 4.067 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1 28616269 KYGYZLXQGNWPJE-UHFFFAOYSA-N 371.487 4.320 0 40 FIAB COc1ccc([C@H](C)NC(=O)COc2ccccc2C(F)(F)F)cc1F 32816349 MXERTHXJVHYLSN-NSHDSACASA-N 371.330 4.109 0 40 FIAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3c(C)cccc3C)n2)cc1 32951217 AOZCSOHIQMWGBM-UHFFFAOYSA-N 361.445 4.395 0 40 FIAB CCc1nc(OCC(=O)Nc2ccc(Cl)cc2F)c2ccccc2n1 33287310 WUTSNQKXXYBYDN-UHFFFAOYSA-N 359.788 4.002 0 40 FIAB COc1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 35312969 SZTMBAYLSKXLNA-UHFFFAOYSA-N 351.406 4.248 0 40 FIAB CC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccccc2Cl)cc1 35586181 DBOSODHZNUGPBF-UHFFFAOYSA-N 363.808 4.415 0 40 FIAB CCc1ccc(CNC(=O)c2ccccc2SCc2nc(C)no2)s1 40117103 UUUYNMZXYRXVFR-UHFFFAOYSA-N 373.503 4.224 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44840698 OXYJSGXNQWXKEZ-LBPRGKRZSA-N 361.825 4.095 0 40 FIAB C[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 45413524 ISIFZWCETWYMOH-KUHUBIRLSA-N 351.446 4.463 0 40 FIAB COc1ccc(-c2csc3nc(-c4ccc(O)cc4)[nH]c(=O)c23)cc1 46703699 FAASKQRJLRPVRO-UHFFFAOYSA-N 350.399 4.033 0 40 FIAB COc1cc(C)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 48287679 DIBRDSBPADZGLV-UHFFFAOYSA-N 365.408 4.069 0 40 FIAB CCOc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)n[nH]2)cc1 51315855 SPDQGMDECSEEER-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB Cc1cccc(N2CCN(C(=O)CCc3ccc(Cl)cc3)CC2)c1C 53663725 GGYZDLJYQIRBFC-UHFFFAOYSA-N 356.897 4.238 0 40 FIAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(Br)c2)c1 55902076 VBGPPZBZUVOMCI-UHFFFAOYSA-N 367.630 4.313 0 40 FIAB C[C@@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(F)c(F)c1 58010827 QMFJGCPLYMOYFS-CYBMUJFWSA-N 356.376 4.092 0 40 FIAB CCOc1cccc([C@@H](C)NC(=O)CCc2nnc(-c3ccsc3)o2)c1 58179876 IZLJJDKVGCVWAS-CYBMUJFWSA-N 371.462 4.007 0 40 FIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CSC(F)(F)F)c1 58208569 JVSNXLVXFTXDKH-UHFFFAOYSA-N 368.808 4.012 0 40 FIAB CCCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 65592958 XDGQOFIFDPOALB-CYBMUJFWSA-N 373.324 4.141 0 40 FIAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2)[C@H](C)C1 72335290 HCJTYJZVXXRLGC-LMNJBCLMSA-N 358.526 4.103 0 40 FIAB COc1cccc(-n2ccnc2SCc2nc(-c3cccs3)n[nH]2)c1 79107279 FKAZUJHQOBQZAZ-UHFFFAOYSA-N 369.475 4.020 0 40 FIAB CO[C@@H](CNC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C)c1ccccc1 84718136 TXYXTWGHOZQXMX-QRWLVFNGSA-N 363.461 4.184 0 40 FIAB COc1ccc(COc2ccc(-c3csc(C)n3)cc2C(=O)O)cc1 85397535 VKYZMKJLDPNHQZ-UHFFFAOYSA-N 355.415 4.404 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@@H](CNc2ccccc2Br)C1 89223530 AJNMIQBBXKGHBR-LBPRGKRZSA-N 355.276 4.118 0 40 FIAB Fc1ccc2c(C3=CCN(Cc4nnc(C5CCC5)o4)CC3)c[nH]c2c1 95398350 NGDLKCXQOVESBJ-UHFFFAOYSA-N 352.413 4.247 0 40 FIAB CC(C)c1cc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)[nH]n1 96319307 VAEQJMJATXSYMU-UHFFFAOYSA-N 368.510 4.167 0 40 FIAB O=C(CCCc1ccccc1)N1[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 101328583 WHDYGSTYSBIMMC-GOTSBHOMSA-N 362.517 4.275 0 40 FIAB Cc1ccc([C@H](O)Cn2nc(-c3ccc(Br)cc3)nc2C)cc1 152466945 ZJTOUNLIMWCRHT-QGZVFWFLSA-N 372.266 4.058 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)c(C)c1 218913049 HYHPUGDOGUIYIX-UHFFFAOYSA-N 363.413 4.342 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 219512550 LJIXEXQZKXYTGN-SFHVURJKSA-N 355.478 4.218 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1Cl 222737936 ZXIDFSVQWFAZQW-LBPRGKRZSA-N 361.825 4.001 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2F)sc2c1CCCC2 223646470 VEWNSKOJKMJURV-UHFFFAOYSA-N 367.829 4.458 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1Cl 224050173 JQZOWMJBGDRJNI-GFCCVEGCSA-N 363.841 4.247 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1cccc(C)c1 225122851 GAXSXSVWWYXRFG-QFIPXVFZSA-N 367.489 4.226 0 40 FIAB O=C1CCCN1c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 225462325 COSNLWJESSCEAX-IBGZPJMESA-N 365.502 4.177 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1C 225536596 FDLPCVRGPJWCOA-OAHLLOKOSA-N 356.491 4.446 0 40 FIAB CO[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1 225703582 DCGQPXCZCRIZKA-CYBMUJFWSA-N 353.846 4.076 0 40 FIAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2cccs2)n[nH]1 225756494 VQRVUCVVPUOROT-UHFFFAOYSA-N 366.471 4.192 0 40 FIAB COc1ccccc1C[C@H]1CCCN1C(=O)c1coc(C2CCCC2)n1 329936905 LGDSVVKRJAZCPU-QGZVFWFLSA-N 354.450 4.188 0 40 FIAB Nc1ccccc1SCC(=O)Nc1ccc(Br)c(Cl)c1 408598814 BILYIEJHWFTLAQ-UHFFFAOYSA-N 371.687 4.416 0 40 FIAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c2ccccc12 409234139 MFWGRLRHJQTBQD-DEDYPNTBSA-N 372.424 4.250 0 40 FIAB CCOC1CC(CCNC(=O)N2CC[C@H](C)C[C@@H]2c2ccccc2OC)C1 502324964 LVGSAOKOJOTGTL-USWSCHJFSA-N 374.525 4.383 0 40 FIAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3cscn3)cs2)nc1 643250497 IEVMSVGTOFGHDF-HNNXBMFYSA-N 357.508 4.384 0 40 FIAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1 1625192628 OLRVFNWUGKZXGN-SFHVURJKSA-N 354.837 4.442 0 40 FIAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCCCC3)C[C@H]2C[C@@H]1OCC1CC1 2332242900 YKZBAXVNXAHPFO-MXNKGDRCSA-N 357.542 4.202 0 40 FIAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)Nc1ccc(C)cc1 2506056 ZKLONIICOZCWBD-UHFFFAOYSA-N 364.405 4.001 0 40 FIAB Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)c1 1330241 SXIYVSJIMCSCFH-UHFFFAOYSA-N 370.518 4.379 0 40 FIAB O=C(NCCc1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 1774890 RFHKDZOMTCGDEG-UHFFFAOYSA-N 368.436 4.148 0 40 FIAB COc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2C)cc1Cl 2699049 FYLGGLAVAJDGQB-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB O=C(O[C@@H]1CCCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1 2639977 UWXLBDSKJCCKRF-HXUWFJFHSA-N 360.413 4.208 0 40 FIAB O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1ccc2ccccc2c1 7051648 IKCNZIYRTNNREI-UHFFFAOYSA-N 352.459 4.241 0 40 FIAB COc1cc(CNC(=O)c2ccc3c(c2)CCCC3)ccc1OC(F)F 8127465 MQLKEYXODDONJW-UHFFFAOYSA-N 361.388 4.105 0 40 FIAB Cc1ccc(C)c(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)c1 8369957 VURQPMJDMYJROL-UHFFFAOYSA-N 368.502 4.092 0 40 FIAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3C)n2C)cc1 8570959 UFKRNYZNVQSHST-MRCUWXFGSA-N 352.459 4.120 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)c1nn2c(-c3ccc(F)cc3)nnc2s1 632930 IIWKFAVNHDSZME-SNVBAGLBSA-N 358.373 4.271 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc([C@@H]2CCCO2)s1 646732 GIRJEBVXUOYAJO-JTQLQIEISA-N 359.238 4.340 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CC(C)(C)C)s1 792745 PAXLDTWHQMKARW-UHFFFAOYSA-N 356.451 4.342 0 40 FIAB CC(C)(C)[C@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 1389069 RLYKWMRVLAFKOJ-QGZVFWFLSA-N 365.882 4.342 0 40 FIAB Cc1ccc(C2=N/C(=C\c3cc(C)n(-c4cc(C)on4)c3C)C(=O)O2)cc1 24985669 HUOIFJOUGACIIH-WQRHYEAKSA-N 361.401 4.043 0 40 FIAB O=C(c1cc2sc3ccccc3c2s1)N1CCC2(CC1)OCCO2 24996616 DRDUWDBWDKFFAA-UHFFFAOYSA-N 359.472 4.095 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)NCCCOCC(C)C)cc1 25344147 NRHXHCYHSBRUPH-UHFFFAOYSA-N 358.507 4.334 0 40 FIAB CN(CC(=O)c1ccc(NC(=O)c2ccccc2)cc1)Cc1cccs1 35336513 QGWYWZLQKBBETI-UHFFFAOYSA-N 364.470 4.315 0 40 FIAB O=C(Cc1csc(-c2cccc(F)c2)n1)OCc1ccc(Cl)nc1 26565371 KFOUEZPBTXZLGZ-UHFFFAOYSA-N 362.813 4.284 0 40 FIAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)c(F)c1 24933495 WKHOOYKXABZIKX-LJQANCHMSA-N 367.399 4.017 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2C)cc1 1892683 BRHDIFVEYXMDQB-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4ccccc4C(F)(F)F)cc1c32 101078502 JHACDXBQQMYOHZ-NSHDSACASA-N 374.362 4.354 0 40 FIAB CC(C)c1noc2ncc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12 22242466 OMABEALEFAEDCC-UHFFFAOYSA-N 363.461 4.441 0 40 FIAB Cc1ccc2nc(NC(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)sc2c1 28235363 PWCXKIIRUZDSPK-SNVBAGLBSA-N 368.384 4.328 0 40 FIAB CC(C)Oc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 10281336 FMAXQGODPCRHLJ-UHFFFAOYSA-N 366.505 4.390 0 40 FIAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 2217093 YRJQKBHXIKYBFD-OAHLLOKOSA-N 360.196 4.275 0 40 FIAB Cc1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1Cl 11427460 WRQXXJZVQTUBMF-UHFFFAOYSA-N 364.883 4.270 0 40 FIAB CC(C)(C)c1ccc(OCCn2nnc(-c3ccc(Cl)cc3)n2)cc1 3407700 VHRDUCKZFSQEDE-UHFFFAOYSA-N 356.857 4.370 0 40 FIAB O=C(Nc1cccc2ccccc12)c1ccc(S(=O)(=O)C(F)F)cc1 3417012 JBRPJVXSXMOQGN-UHFFFAOYSA-N 361.369 4.088 0 40 FIAB CCOc1ccc(CN(C)c2ncnc3sc(C)c(C)c23)cc1OC 3429294 HLWVPKRSWFDNAW-UHFFFAOYSA-N 357.479 4.352 0 40 FIAB COc1cccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1 12976839 ZLSFRZNZNUVMEH-UHFFFAOYSA-N 362.832 4.091 0 40 FIAB COc1cccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1OC 12976666 IGCGFGSBNARLKN-UHFFFAOYSA-N 366.442 4.013 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccccc3F)nc2C)c1 13692670 JSLRDBKLQIPIER-UHFFFAOYSA-N 369.421 4.468 0 40 FIAB Cc1nc(SCC(=O)NCc2ccccc2Cl)n(CC(C)C)c1C 5151923 QJPRYICQASMNBG-UHFFFAOYSA-N 365.930 4.218 0 40 FIAB COc1ccc(OC)c([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1 4571543 NXJHHZZPLVRTHF-QGHHPUGFSA-N 358.463 4.319 0 40 FIAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccsc3)C2=O)cc1C 4549341 FHCMJGKNUFTEAJ-OVCLIPMQSA-N 372.471 4.040 0 40 FIAB CC[C@@H](NC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C)cc1 14241778 ZSJKIRVAJQJDDQ-IEBWSBKVSA-N 365.395 4.403 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc2c(c1)CCC2 5537192 FHFHCUBHOOIDSI-UHFFFAOYSA-N 361.397 4.178 0 40 FIAB Cc1ccc(NC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)cc1 4704252 GCBWHQCBDYANJV-UHFFFAOYSA-N 374.440 4.315 0 40 FIAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1 6851532 YJBYHADHDSNEMW-ZHRRBRCNSA-N 359.425 4.371 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(O)=Nc2nc3ccccc3n21 8996721 MYZDBRYNYIFZAD-CQSZACIVSA-N 374.322 4.227 0 40 FIAB C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 7277248 TUCVRUUCOISRIH-QGZVFWFLSA-N 371.440 4.282 0 40 FIAB O=C(Cc1coc2ccc3ccccc3c12)NCc1cn2ccccc2n1 7798765 SUQXKAXACVUWCC-UHFFFAOYSA-N 355.397 4.093 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C(=O)CC2(CCCCC2)C1=O 9154304 CKEHXXRTDFROAW-UHFFFAOYSA-N 371.868 4.044 0 40 FIAB O=C(c1ccc(F)cc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 27530707 HKTOGMUKWVDIQT-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB CC(C)Oc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 72328891 VCVYHRZYNHCYDI-UHFFFAOYSA-N 369.852 4.447 0 40 FIAB CCOC(=O)c1ccc(CN2CC=C(c3c[nH]c4ccccc34)CC2)o1 95997187 HVBSSEFCJMGLQX-UHFFFAOYSA-N 350.418 4.227 0 40 FIAB FC(F)[C@H](CCc1ccccc1)NCc1cnn(Cc2ccccc2)c1 95996281 KNOITUCIQFPPNE-FQEVSTJZSA-N 355.432 4.288 0 40 FIAB COc1cccc(N2CC[C@@H](CNCc3ccccc3OC(C)C)C2)c1 89890939 CJLYVYQTDHOUIX-SFHVURJKSA-N 354.494 4.099 0 40 FIAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2cccnc2Cl)cc1 6064376 CWEYXKBCVZDPLI-UHFFFAOYSA-N 366.804 4.344 0 40 FIAB CCN(CC)C(=O)CSc1nc2ccccc2n1Cc1ccccc1F 35289677 FLGMKIYCPDFNPL-UHFFFAOYSA-N 371.481 4.184 0 40 FIAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 39767851 OPRPCPCJLGWNFL-UHFFFAOYSA-N 352.478 4.163 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)c1cc3ccccc3o1)CC(C)(C)O2 219948789 JWOHGKYKBIMFTQ-MRXNPFEDSA-N 351.402 4.474 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)c(C)c1 219539741 HQXDOJKECRDLKD-IBGZPJMESA-N 366.505 4.030 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)COc1ccccc1C 219367308 ADTSVAUWKICGOU-MJGOQNOKSA-N 355.478 4.353 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219324081 MBHWWEDQDBHETJ-KXBFYZLASA-N 361.869 4.390 0 40 FIAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3ccccc3C)cc(=O)c2c1 33063678 GOBNZHOPZTUIGA-UHFFFAOYSA-N 366.486 4.325 0 40 FIAB CCCn1nc(C)c(-c2cncn2CC2(N(C)C)CCC(C)CC2)c1C 72391893 RQUCAPWIUBAIDZ-UHFFFAOYSA-N 357.546 4.284 0 40 FIAB COc1cc(NC(=S)Nc2cc(F)cc(F)c2)c(OC)cc1Cl 71761096 QBCVQRFSMDSKFO-UHFFFAOYSA-N 358.797 4.444 0 40 FIAB CN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cccs2)c(Cl)c1 226285938 LDRAERABQUJGHH-UHFFFAOYSA-N 362.760 4.179 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 224608445 KATUNZJFISYYQI-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478262 OYYCXCATKFLHNJ-UHFFFAOYSA-N 369.808 4.159 0 40 FIAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)c1 224230258 FTWOUBKBMXDXBP-PMACEKPBSA-N 362.502 4.214 0 40 FIAB Cc1cccc([C@H](NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)c1 225403421 KIZCCTFUPMCORK-JOCHJYFZSA-N 359.425 4.286 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl 225591608 VJZSSBLXMNBZKO-ZETCQYMHSA-N 361.052 4.062 0 40 FIAB CCCCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225645769 AFZCJPGVHWCJMA-JXAWBTAJSA-N 356.491 4.134 0 40 FIAB Cc1cccc2sc(N3CC(OC(=O)/C=C/c4cccs4)C3)nc12 75172338 MXSKZFWIXUWLPT-BQYQJAHWSA-N 356.472 4.111 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2cccc(C)c2)c(C)c1 222742480 WWMWAXATTMXZIG-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB CCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c2ccccc12 225924678 BJGOVJPEDJFJSS-UHFFFAOYSA-N 372.465 4.480 0 40 FIAB CCSc1ccccc1C(=O)NCCN1CCC(c2cccs2)CC1 77104012 RVEOUXATSUIYJZ-UHFFFAOYSA-N 374.575 4.470 0 40 FIAB COc1cccc(C(=O)NC[C@@H](C)Cc2cccc3ccccc23)c1OC 225049359 DHRKTGXTUIVMSR-INIZCTEOSA-N 363.457 4.466 0 40 FIAB CC(C)n1cc(C(=O)NCCCc2nc3ccccc3[nH]2)c2ccccc21 95472609 UGZUHVNGFBCIJQ-UHFFFAOYSA-N 360.461 4.461 0 40 FIAB CC(=O)N[C@@]1(C)C[C@H](c2ccc3ncccc3c2)O[C@@H]2C[C@H](C)CC[C@H]21 257339988 ZEBBMKYKYHATOC-ZDAMRSHRSA-N 352.478 4.396 0 40 FIAB C[C@H](NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1)c1cscn1 666069933 PGXCEBMAWOCCDM-JTQLQIEISA-N 371.384 4.091 0 40 FIAB CC[C@](CNC(=O)c1cccc(C(F)(F)F)c1)(OC)c1ccccc1 96123723 VIIMMQUSZLJWFT-GOSISDBHSA-N 351.368 4.387 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1cccc(Oc2ccccn2)c1 96104535 SYEOEALMDUTQLT-UHFFFAOYSA-N 352.821 4.386 0 40 FIAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)CCC2 584504664 CFTJPHGWBYEJPN-ILWGZMRPSA-N 364.489 4.476 0 40 FIAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)C1 57315386 MAJFOSPBNFAXQM-GUDVDZBRSA-N 350.506 4.259 0 40 FIAB CC(C)(C)CC(=O)N[C@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12221084 WRWSNUJYWJDEAY-INIZCTEOSA-N 352.482 4.105 0 40 FIAB C[C@@H](OC(=O)Cc1ccc(F)cc1)c1nnc(-c2cccc(Cl)c2)o1 12588545 WIFQJWOAQHYGRS-LLVKDONJSA-N 360.772 4.376 0 40 FIAB CSc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1 238849816 JEVQLBQJHUCWPB-UHFFFAOYSA-N 352.459 4.313 0 40 FIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1 2723089 SKYYEBZLTPINBC-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB CC(C)Sc1cccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 10253297 NATIJBBQZHNUEM-UHFFFAOYSA-N 354.431 4.285 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1ccc(C(=O)c2ccco2)s1 211081722 DYHKJBKFDTZZTI-UHFFFAOYSA-N 359.834 4.084 0 40 FIAB Cc1cnc(NC(=O)CCSc2ccccc2Br)s1 40129156 MDMHENOFHPGGJT-UHFFFAOYSA-N 357.298 4.335 0 40 FIAB Cc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccccc1F 31807071 SOMXOZCJZLDWBB-UHFFFAOYSA-N 354.425 4.403 0 40 FIAB O=c1cc(CSc2nnc(-c3ccc(F)cc3)o2)c2ccccc2[nH]1 929405 ZPCAOYSOJUUZAU-UHFFFAOYSA-N 353.378 4.010 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(C)=O)c1C 939143 ZRFNGUSCKWDRQS-UHFFFAOYSA-N 365.838 4.342 0 40 FIAB O=C(c1ccc(F)cc1)C1CCN(C(=S)Nc2ccc(F)cc2)CC1 1336915 RUNKYBBMTKOGPK-UHFFFAOYSA-N 360.429 4.257 0 40 FIAB Fc1ccc(-c2cc3nc4c(c(NCc5cccnc5)n3n2)CCCC4)cc1 1341453 DMZKQJGBIRSGFB-UHFFFAOYSA-N 373.435 4.421 0 40 FIAB CCOC(=O)/C(=C/c1cn(C(C)=O)c2ccccc12)[P@](C)(=O)OCC 1643293 XNEKNLQBLPJNNT-ZIXDRAHYSA-N 363.350 4.150 0 40 FIAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 4385365 RCFCRWKFLPHHBZ-UHFFFAOYSA-N 357.410 4.426 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3ccc(Br)s3)sc2C1 8776395 GBTIOMJSFMJXPL-ZETCQYMHSA-N 357.298 4.344 0 40 FIAB O=S(=O)(c1cccc(F)c1)N(Cc1cccs1)Cc1cccs1 23054835 JSVQAXXWDZLFEV-UHFFFAOYSA-N 367.492 4.340 0 40 FIAB O=C(COc1cccc(NC(=O)c2cccs2)c1)c1ccc(F)cc1 993055 VUEYKLVICVCHLX-UHFFFAOYSA-N 355.390 4.401 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc2c(s1)CCCC2 3180893 BHGQQHLLQVUZDL-HKUYNNGSSA-N 366.530 4.383 0 40 FIAB S=C1N(c2ccccc2)[C@@H](c2ccc(Br)cc2)N2CCCN12 1258997 NQHIUZMHBFTPFS-INIZCTEOSA-N 374.307 4.176 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 109032624 PMFUBIXVSYKVSG-VUHPKUFZSA-N 369.509 4.177 0 40 FIAB Nc1nc(CN2CCCc3ccccc32)nc2sc3c(c12)CCCC3 12528323 UPRFXLLPFFDFHC-UHFFFAOYSA-N 350.491 4.105 0 40 FIAB O=C(Nc1cnc2ccccc2c1)C1CCN(C(=O)Nc2ccccc2)CC1 25532151 HEGVYQAIJSBUOU-UHFFFAOYSA-N 374.444 4.117 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc(C(F)(F)F)cs1 47899242 INVXVHOEEORATP-UHFFFAOYSA-N 354.275 4.362 0 40 FIAB Oc1ccccc1N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 57327246 OQVMDMMKTPXWBW-UHFFFAOYSA-N 369.852 4.023 0 40 FIAB CC(=O)c1cccc(NC(=O)CSCc2nc3ccccc3s2)c1 12684379 MDLRUVICZALJNG-UHFFFAOYSA-N 356.472 4.371 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)cs1 27850116 KRMRVBDEZHBRLU-VXGBXAGGSA-N 357.401 4.298 0 40 FIAB CO[C@@H](C)c1cccc(NCC(=O)Nc2ccccc2Br)c1 58394001 DNXFKQCMXCCICO-LBPRGKRZSA-N 363.255 4.207 0 40 FIAB CCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCCC3)cc21 2275386 CLTRHPZGVHXSHM-UHFFFAOYSA-N 374.456 4.409 0 40 FIAB Cc1cccc(CSc2nc(=O)n(Cc3ccccc3)c3c2CCC3)c1 28286790 ZPNNSRDWAOGAKC-UHFFFAOYSA-N 362.498 4.381 0 40 FIAB O=C(CSc1nc2ccccc2s1)N1CCC[C@H]1c1ccncc1 36393759 VAKOPCMXZMWHQZ-HNNXBMFYSA-N 355.488 4.147 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4ccc(O)cc4)nn12)C[C@H](C)CC3 2357905 RZYRLZPARYDFHJ-SNVBAGLBSA-N 350.447 4.145 0 40 FIAB COc1ccc([C@H](CC(=O)Nc2nccs2)c2ccc(F)cc2)cc1 2450279 IXBCPDITHIIKHR-QGZVFWFLSA-N 356.422 4.452 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4C)nc32)cc1C 2412001 RYSQCYITVXGTQL-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB COC(=O)c1ccc(CSc2nnc(Nc3ccccc3C)s2)o1 3465448 NVRLJUWYEJMGBM-UHFFFAOYSA-N 361.448 4.262 0 40 FIAB O=C(NCc1ccccc1OC(F)(F)F)N[C@H]1CCCc2occc21 12984427 FSQPODANQYPOEP-ZDUSSCGKSA-N 354.328 4.055 0 40 FIAB CCOP(=O)(OCC)[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 4032056 IGTTWYCPRMGAID-SNVBAGLBSA-N 368.625 4.111 0 40 FIAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1 6384120 LUUZHFHNGCUYDG-HNNXBMFYSA-N 372.424 4.434 0 40 FIAB O=c1[nH]c(CSc2ccc3ccccc3n2)nc2sc3c(c12)CCC3 8710411 XIAQUCBNNHNKJY-UHFFFAOYSA-N 365.483 4.314 0 40 FIAB Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)oc2ccccc12 14139557 NOVNYRWHUUZUQB-JTQLQIEISA-N 368.458 4.279 0 40 FIAB CCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 18243801 NHZPULSKILLECX-ZACQAIPSSA-N 371.477 4.488 0 40 FIAB CC(=O)CCc1ccc(OCCN2CCCC[C@@H]2c2cccnc2)cc1 6624658 GQRMDNLGTXJRTK-JOCHJYFZSA-N 352.478 4.209 0 40 FIAB biogenic CCOc1ccc(CCNC(=S)Nc2ccc(F)cc2)cc1OCC 4723377 VPFJISVDSYLJKR-UHFFFAOYSA-N 362.470 4.152 0 40 FIAB Cc1sc(NC(=O)[C@@H]2COc3ccccc3O2)nc1-c1ccc(F)cc1 5674364 DRSPFXMHKWRZGF-INIZCTEOSA-N 370.405 4.036 0 40 FIAB Cc1ccc(-c2noc(CN(C(=O)c3ccc(F)cc3)C(C)C)n2)cc1 4958697 DOIFDVBVQRHEDY-UHFFFAOYSA-N 353.397 4.235 0 40 FIAB O=C(CN(Cc1ccc(F)cc1)C1CC1)Nc1ccc(F)cc1Cl 7788319 SFCGCQAGXIIJBD-UHFFFAOYSA-N 350.796 4.221 0 40 FIAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1c(F)cccc1F 7868977 VWSIUJZZFRGGQZ-LLVKDONJSA-N 365.401 4.245 0 40 FIAB CC(C)(C)c1cnc(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)s1 81233706 HQBLMPVDIWNVDM-KRWDZBQOSA-N 371.506 4.133 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)NCCc3ccc(F)cc3)ccc2c1 8077595 GTXZUGFVJFZEHU-HNNXBMFYSA-N 351.421 4.450 0 40 FIAB O=C(NCc1ccccn1)c1ccccc1-c1ncc(-c2ccccc2)o1 8164129 RNCVLNITCWBVDO-UHFFFAOYSA-N 355.397 4.334 0 40 FIAB O=C(CCc1nnc(-c2ccsc2)o1)NC1(c2ccc(F)cc2)CCC1 69351341 NJAWPTRMIQBRKR-UHFFFAOYSA-N 371.437 4.065 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Br)c3cccnc23)cc1 27930115 QJGPNTJXHXAFJY-UHFFFAOYSA-N 371.234 4.187 0 40 FIAB CCC(=O)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2CC 9421652 AVFVOUPTGWEYPR-UHFFFAOYSA-N 369.494 4.104 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C 19943243 QDDLJCHPBOHLEX-HZPDHXFCSA-N 353.528 4.231 0 40 FIAB Cc1cc(C)c(C)c(SCCC(=O)Nc2sccc2C(N)=O)c1C 84075097 QZFROEANYJQSFI-UHFFFAOYSA-N 362.520 4.202 0 40 FIAB CCCn1cc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cn1 72303994 GFLWFBSNOAENEA-UHFFFAOYSA-N 369.494 4.314 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(C(N)=O)c3)ccc21 28490558 KGNAJMBIWKTTMU-UHFFFAOYSA-N 357.413 4.166 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1Cl 409120363 UCIRGBNASMIRMC-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CC(NC(=O)c1nnc(O)c2ccccc12)(c1ccccc1)c1ccccc1 505975915 IGGCSDHXEIPHHG-UHFFFAOYSA-N 369.424 4.029 0 40 FIAB CCn1nnnc1SCCC(=O)Nc1c(C(C)C)cccc1C(C)C 32871288 LQTXHADHICZGIR-UHFFFAOYSA-N 361.515 4.061 0 40 FIAB CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 72414362 RYKSMGNBHMDPNT-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72349142 ZEXKIASVBYTLJP-GOSISDBHSA-N 373.456 4.172 0 40 FIAB C[C@@H](c1nc2ccccc2n1Cc1ccccc1Cl)N1CCOCC1 39917076 BELXCQVBINDRAB-HNNXBMFYSA-N 355.869 4.131 0 40 FIAB Cc1ccc2[nH]c3nc(SCc4nnc(-c5ccccc5)o4)nnc3c2c1 35312208 ZABUOCUZFYEWSK-UHFFFAOYSA-N 374.429 4.157 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 219543895 HCCVBCJOJHPRAU-SFHVURJKSA-N 355.478 4.218 0 40 FIAB Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218915 BLHLNUAYQZAJHV-FQEVSTJZSA-N 365.477 4.464 0 40 FIAB CC(C)Oc1ccc(CCCNC(=O)COc2ccccc2Cl)cc1 218849133 VYIINQCJQABABK-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cc(C)cc(C)c1 224107863 WBCZWDGSFFQOQB-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CC[C@@H](c2cccnc2)C1 573807959 FIIJOQQTIHSUMQ-WBMJQRKESA-N 351.233 4.004 0 40 FIAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 225865219 ZJHOFMVWDRUPGV-UHFFFAOYSA-N 368.477 4.338 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)S1 222636145 CGWOACRLYMMXIH-YSGRDPCXSA-N 360.486 4.462 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(Cl)cc1F 223623060 SYYCMGBKYUQHAM-UHFFFAOYSA-N 365.817 4.253 0 40 FIAB O=C(NC[C@](O)(c1ccco1)C1CC1)C1(c2ccc(Cl)cc2)CCCC1 75154940 AYVDTNLULOXLFO-OAQYLSRUSA-N 373.880 4.159 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)c2cc(OC)cc(OC)c2)cc1 44901071 UDSJWUMUCQMEGN-FQEVSTJZSA-N 357.450 4.230 0 40 FIAB CCOc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 225183483 FLFJGPIXMJUUGF-UHFFFAOYSA-N 371.824 4.027 0 40 FIAB Cc1nc(SCC(=O)Nc2c(C)cccc2C)cc(-c2ccccn2)n1 49007101 XCPDAUHAASSQGX-UHFFFAOYSA-N 364.474 4.195 0 40 FIAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccccc1F 44532469 ICVVGYJYXUUHIP-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 89212631 SVYRSMAAZQQJIN-CQSZACIVSA-N 355.276 4.261 0 40 FIAB CC(=O)Oc1ccc(OC(C)=O)c2c(OCc3ccccc3)cccc12 98064820 VMKZWWUOXBKPKG-UHFFFAOYSA-N 350.370 4.269 0 40 FIAB O=C(c1ccccn1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257315133 VAADQLATJRMMSN-GOSISDBHSA-N 367.836 4.291 0 40 FIAB COc1cc(Cl)cc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)c1OC 257338141 YWBMSQRHVLDZDU-SXCOJBNFSA-N 354.874 4.230 0 40 FIAB CC(C)n1ccc2c(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)cccc21 96343585 GSRDONGTRQHMLT-YLJYHZDGSA-N 353.510 4.217 0 40 FIAB biogenic O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc(Cl)cc1Cl 822610 FFLNBZNUXIMNIN-WLRTZDKTSA-N 362.168 4.067 0 40 FIAB Cc1onc(-c2ccncc2)c1C(=O)NC1(c2cccc(F)c2)CCCC1 12197717 ZYGAATDDYQPTCL-UHFFFAOYSA-N 365.408 4.383 0 40 FIAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc2c(c1)OCO2 14375662 MOWHRGWLWDDUFY-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB Cc1cccc(N2CC(=O)N(c3ccccc3)[C@H](c3ccccc3)C2=O)c1C 15412552 SGJZKTVHFUUAOJ-HSZRJFAPSA-N 370.452 4.425 0 40 FIAB Cc1ccc(OCC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1 2087138891 PWYFKVYQYBVXCA-UHFFFAOYSA-N 365.399 4.095 0 40 FIAB CCSc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3 5240836 LQINLCSKJKVLMT-UHFFFAOYSA-N 358.444 4.389 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cc3cccc(OC)c3o2)cc1C 8960527 QWPANMDFTLSAEU-UHFFFAOYSA-N 359.403 4.240 0 40 FIAB COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1 9134471 LHPMTJIZQHEWAE-UHFFFAOYSA-N 374.396 4.330 0 40 FIAB CC(C)(C)c1ccc(OCC2CCN(C(=O)Nc3ccccc3)CC2)nn1 1775969429 QSPSXFWIDMIBBM-UHFFFAOYSA-N 368.481 4.097 0 40 FIAB CCOc1ccccc1NC(=O)NCC1CCN(Cc2cccs2)CC1 38489613 XUQZCHWJEUWJCJ-UHFFFAOYSA-N 373.522 4.181 0 40 FIAB CN(C)[C@@H](CNC(=O)Cc1ccc(F)cc1)c1csc2ccccc12 575620499 KONVKTZEUYKLAF-SFHVURJKSA-N 356.466 4.002 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)S3)cc1 4660868 KNIMHOOABMTYTM-UHFFFAOYSA-N 355.440 4.195 0 40 FIAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(Cl)ncnc4c23)CO1 20057199 DWIHGTDVMWVFRE-UHFFFAOYSA-N 374.897 4.344 0 40 FIAB CCc1nnsc1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 30391812 UMXXXJBMRJVVAL-UHFFFAOYSA-N 357.410 4.071 0 40 FIAB CSc1nc(C)c(CCC(=O)N2CCCCc3ccccc32)c(C)n1 40133968 RLGBFRAGDMIDTN-UHFFFAOYSA-N 355.507 4.117 0 40 FIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(F)cc1)C3 20610170 DYOKPYWBZJNMLS-UHFFFAOYSA-N 367.420 4.252 0 40 FIAB biogenic CCOc1ccc([C@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OC 718000 ANWNNBCRMSTVKA-JOCHJYFZSA-N 371.477 4.126 0 40 FIAB biogenic O=C1C[C@H](c2cccc(Cl)c2Cl)c2cc3c(cc2N1)OCCO3 816173 ZGOUSEFRRPIKNG-SNVBAGLBSA-N 350.201 4.239 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc(C)c1 870490 HOCWKAZINFHBHL-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)CCC4)n2)n1 2620156 DFLFOMIUEQVGFD-UHFFFAOYSA-N 366.852 4.279 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1ccccc1F)c1cccs1 2721277 UYIQSZIZCHFLSG-UHFFFAOYSA-N 365.433 4.215 0 40 FIAB Cc1ccc(Cl)c(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1 3166315 YAUNRGQKWIUAMV-UHFFFAOYSA-N 372.730 4.457 0 40 FIAB CC(C)N(c1ccccc1)c1ccc(NC(=S)NCCN(C)C)cc1 3304680 RLHCOHXXAVGTHB-UHFFFAOYSA-N 356.539 4.081 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(=O)cnc2ccccc21 3336169 LKTDRHDWSCCTHF-UHFFFAOYSA-N 363.461 4.282 0 40 FIAB C[C@H](OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(N)=O 3421544 FVZNXYBJTOJCLY-LBPRGKRZSA-N 361.463 4.029 0 40 FIAB Cc1ccccc1-c1nsc(SCC(=O)N2CCc3ccccc32)n1 4167429 DMYASWVKJOFBQZ-UHFFFAOYSA-N 367.499 4.195 0 40 FIAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1Cl 4275952 PRBAJSGFNVAHQJ-UHFFFAOYSA-N 352.152 4.435 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1 4503727 NNSBHUAIWDZDPQ-UHFFFAOYSA-N 369.446 4.294 0 40 FIAB COc1cccc2cc(-c3cc(=O)oc4ccc(OC(C)=O)cc34)oc12 4586262 XNVGXHJSSUXXRX-UHFFFAOYSA-N 350.326 4.140 0 40 FIAB biogenic CC[C@@H]1CO[C@@](O)(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 4792086 SZEDYAYEVMUROK-SQNIBIBYSA-N 352.261 4.278 0 40 FIAB CCCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)NC)CCC3)c1 5055714 PHKXIFLYVKEQHO-UHFFFAOYSA-N 372.490 4.028 0 40 FIAB COc1ccc(-c2ccc3nnc(SCc4ccccc4C)n3n2)cc1 5167708 VGJRYFGYUVDGRK-UHFFFAOYSA-N 362.458 4.401 0 40 FIAB CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccc(Cl)cc1 5378148 XFDFIKFTJLMQFK-GOSISDBHSA-N 366.804 4.144 0 40 FIAB CC(=O)c1ccc(NC(=S)Nc2ccc3nc(C)c(C)nc3c2)cc1 5658722 WQRXOYZLBWLNBE-UHFFFAOYSA-N 350.447 4.258 0 40 FIAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1Cl 5940245 NOPZNWUQVUUSSO-SNVBAGLBSA-N 367.232 4.204 0 40 FIAB COc1cc(C)c(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 6259160 APFAESIHHNJSQF-UHFFFAOYSA-N 353.340 4.212 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1ccccc1NC(C)=O 6296149 PVFVAPVNSHPUES-UHFFFAOYSA-N 364.854 4.038 0 40 FIAB O=C(c1cc(=O)[nH]c2ccccc12)N(Cc1ccco1)Cc1cccs1 6608917 NMSNJGZJUNOJJO-UHFFFAOYSA-N 364.426 4.025 0 40 FIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 6965739 SRDZKPOFHHDLRO-QUJCMNEKSA-N 350.374 4.428 0 40 FIAB O=C(CSc1nccn1-c1cccc(F)c1)NCCC1=CCCCC1 6972888 HQWMUDFBWPUICY-UHFFFAOYSA-N 359.470 4.110 0 40 FIAB C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)N1CCCC1 7220526 UYOVLCBKBHKGIE-HNNXBMFYSA-N 365.502 4.310 0 40 FIAB COc1cc(C(=O)Nc2ccccc2C)cc(OC)c1Br 7756815 ZCKIBJUDPXHDCP-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC1=O 7928187 IRCUNDFEGDVOQD-OXQOHEQNSA-N 364.489 4.042 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(C)c2)CC1=O 7928203 TXHUKYIJWVSVEE-GOSISDBHSA-N 350.462 4.111 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/c1nc2ccccc2c(=O)[nH]1 8134295 CNBVEYCXOQTNMB-VAWYXSNFSA-N 360.392 4.035 0 40 FIAB COc1ccc(-c2noc(-c3ccc(NC(=O)CC(C)C)cc3)n2)cc1 8560355 ZFMFGFHDUNBTPO-UHFFFAOYSA-N 351.406 4.397 0 40 FIAB CCc1ccc(OCc2nnc(NC(=O)c3ccccc3F)s2)cc1 8767980 RCYWWTQZUMAUJD-UHFFFAOYSA-N 357.410 4.071 0 40 FIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OC)c1 8917106 ZBUHPZKOEKZFHQ-IBGZPJMESA-N 363.413 4.065 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1 9064171 SESUUJWUCXFQPQ-UHFFFAOYSA-N 355.507 4.222 0 40 FIAB CC(C)CCN1Cc2cc(C(=O)c3cc(Cl)ccc3O)cnc2NC1=O 10025361 LXVXYZYOCVKGPJ-UHFFFAOYSA-N 373.840 4.065 0 40 FIAB CCCc1n[nH]c(SCc2csc(N(C(C)=O)c3ccccc3)n2)n1 11808081 PGCIZECGKPVZBW-UHFFFAOYSA-N 373.507 4.191 0 40 FIAB CC[C@@H]1CCc2sc(C(=O)Nc3cc(NC(C)=O)ccc3OC)cc2C1 12761172 BMCDVUMINQTSEY-CYBMUJFWSA-N 372.490 4.482 0 40 FIAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(O)nc3)n2)cc1 12770031 JMLNSZNABFZJAO-UHFFFAOYSA-N 353.447 4.461 0 40 FIAB CC[C@@H](NC(=O)COc1cccc(C)c1)c1ccc(Br)cc1 12777501 VCAXCTISWIIPPN-QGZVFWFLSA-N 362.267 4.404 0 40 FIAB Cc1cccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)c1 13213258 RPMORZCIHLOLSJ-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB O=c1cccc(-c2ccccc2C(O)(c2ccccc2)c2ccccc2)[nH]1 17014286 ANKUMDMNRCMLTC-UHFFFAOYSA-N 353.421 4.326 0 40 FIAB Cc1ccc(C(=O)Nn2c(C)nnc2SCc2ccccc2)c(Cl)c1 17076371 OXPYNJIXQFBUMU-UHFFFAOYSA-N 372.881 4.225 0 40 FIAB Cn1nccc1-c1nc(NCc2cccc(F)c2)ncc1-c1ccsc1 19289247 JZZPZCOHQBLPLP-UHFFFAOYSA-N 365.437 4.357 0 40 FIAB Cc1c(CN2CCC(COc3ccccn3)CC2)[nH]c2ccc(F)cc12 19565480 KEENVLSQXDKQCJ-UHFFFAOYSA-N 353.441 4.301 0 40 FIAB Cc1ncc(CN2CCO[C@H](c3ccc(Cc4ccccc4)cn3)C2)s1 19692273 PPWMGHFCPPHSMW-NRFANRHFSA-N 365.502 4.011 0 40 FIAB Cc1ccc(NC(=O)c2cncn2-c2ccccc2)c(Br)c1 20675409 HIQLFJRHSYWYRP-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB Cc1cc(Br)cc(C)c1NC(=O)c1ccc2nsnc2c1 21595909 JUELHYYURWWQLW-UHFFFAOYSA-N 362.252 4.323 0 40 FIAB CCc1ccc(CCC(=O)NCc2ccccc2CN2CCCC2)cc1 24189917 FBPSIUUOWYFOAO-UHFFFAOYSA-N 350.506 4.094 0 40 FIAB CNCc1c(C)nn(-c2ccccc2)c1Oc1ccc(Br)cc1 24321242 BFCWNFSSCOZGME-UHFFFAOYSA-N 372.266 4.455 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)c1cccc(Nc2ncccn2)c1 24749233 HKEFAQZIIAKXBC-ZDUSSCGKSA-N 350.447 4.041 0 40 FIAB COc1ccc(OCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 27983790 NFHKDPGKDPXVOB-OAHLLOKOSA-N 363.413 4.459 0 40 FIAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N1CCc2ccccc2C1 28303500 KOXLZAUEKQDDNG-LBPRGKRZSA-N 366.408 4.166 0 40 FIAB Cc1cnc2c(S(=O)(=O)Oc3ccc(F)c(Cl)c3)cccc2c1 29231528 HUKKIPZTFIZBJO-UHFFFAOYSA-N 351.786 4.103 0 40 FIAB Cc1cnc2c(S(=O)(=O)Oc3ccccc3C(F)(F)F)cccc2c1 29376203 KNYIHTPZXXYPRW-UHFFFAOYSA-N 367.348 4.330 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 30943581 DQYYZGHDDJJCKS-INIZCTEOSA-N 365.477 4.129 0 40 FIAB O=C(Nc1ccccc1C(=O)N1CC=C(c2ccccc2)CC1)c1ccco1 30995871 WFJNNKJVRMWWGA-UHFFFAOYSA-N 372.424 4.461 0 40 FIAB COc1ccccc1CNC(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 31029080 GOGNVIQYRWFCPS-UHFFFAOYSA-N 361.445 4.175 0 40 FIAB CC(=O)Nc1ccc(/C=C/c2cc(C(=O)O)c3ccc(F)cc3n2)cc1 31855804 YDOQACQEMMBRMX-XBXARRHUSA-N 350.349 4.201 0 40 FIAB O=C(Cn1c(SC(F)F)nc2ccccc21)N[C@H]1CCc2ccccc21 32843588 TWZZZDSIHKOXHE-AWEZNQCLSA-N 373.428 4.155 0 40 FIAB CCCCC(=O)Nc1ccc(SCc2cc(=O)n3oc(C)cc3n2)cc1 35429501 HPJPOVKSBNPOMQ-UHFFFAOYSA-N 371.462 4.017 0 40 FIAB Cc1ccc(OCc2c(Cl)cccc2Cl)c(S(=O)(=O)N(C)C)c1 40154876 KRDHKBNYYOWSGY-UHFFFAOYSA-N 374.289 4.131 0 40 FIAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CC[C@H]1CCCO1 58175360 ZVGVJIJMNFDUPS-MJGOQNOKSA-N 353.466 4.015 0 40 FIAB CC(C)C[C@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1cccs1 58214197 AFKMAJWPCNKUOX-KRWDZBQOSA-N 374.506 4.097 0 40 FIAB CC1=NN(c2ccc(C(=O)NCCc3cccc4ccccc34)cc2)CC1 58378182 KBTFPFWYBHONKF-UHFFFAOYSA-N 357.457 4.398 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)C1(C)C 58413637 GEYYXHYCGBGAQJ-NJAFHUGGSA-N 355.457 4.003 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 59341397 XWLXJKAYXGLIJZ-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB COCc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 65478396 FQYJDEYFVDGHDY-LLVKDONJSA-N 374.491 4.015 0 40 FIAB CC(C)(C)c1ncc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)cn1 68221893 ONCVCKKHTRPCSU-HNNXBMFYSA-N 371.506 4.298 0 40 FIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2Cl)c1 71761727 GLSCUEAYYAJTME-UHFFFAOYSA-N 352.818 4.465 0 40 FIAB COc1cccc(Cn2c3cc(C)sc3c3cnn(C(C)C)c(=O)c32)c1 72334533 GRIBCIFNKCNUNV-UHFFFAOYSA-N 367.474 4.359 0 40 FIAB Cn1ccnc1CN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349999 YNGXOIJDJMRCFH-MRXNPFEDSA-N 350.441 4.001 0 40 FIAB Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(CCc3ccccc3)C2)n1 72374830 COHPJNOMIPHOJL-FQEVSTJZSA-N 373.504 4.346 0 40 FIAB C[C@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCC1 80345742 RXJCZBOXWNCBCK-GFCCVEGCSA-N 367.276 4.468 0 40 FIAB O=C(C[C@@H]1CC(=O)Oc2cccc(Cl)c21)Nc1cccc(Cl)c1 80345802 PLFFRRDDPTUXCY-SNVBAGLBSA-N 350.201 4.415 0 40 FIAB COc1cccc(C(=O)Nc2cc([C@H]3C[C@@H]3C)nn2-c2ccccc2)c1F 89236206 HTTQBJNVUZBGRG-BBRMVZONSA-N 365.408 4.396 0 40 FIAB O=C(CCCc1ccccc1)N1[C@@H]2CCC[C@@H]1CN(Cc1ccccc1)C2 101328579 WHDYGSTYSBIMMC-DHIUTWEWSA-N 362.517 4.275 0 40 FIAB COc1ccccc1OCCNC(=O)CCc1ccc(C(C)(C)C)cc1 224039795 URLBFOGCGJXSTK-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CCCCCNC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224270516 UHYPUVSVOYAQFX-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(Cl)cc1 224450924 XKYJOQRPJSNPEY-IBGZPJMESA-N 361.869 4.309 0 40 FIAB COc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C(C)C 225279905 PVYUGLHPHLQXDG-UHFFFAOYSA-N 361.507 4.256 0 40 FIAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 225318243 GLTYAEZGEJOJNG-UHFFFAOYSA-N 359.425 4.498 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)N[C@H](C)CC 225640509 BQPYENKINLZMSO-RHSMWYFYSA-N 352.906 4.162 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(O[C@@H]2CCSC2)nc1 225713592 ZQRWTFZERKRKEL-GFCCVEGCSA-N 368.380 4.237 0 40 FIAB COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cccs3)C[C@@H]21 227487057 GRYAVIDOWGSROK-JXFKEZNVSA-N 363.442 4.394 0 40 FIAB O=C(c1cc(F)ccc1Cl)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238881651 PJVINHJGYGCFQG-ZDUSSCGKSA-N 371.799 4.159 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1 257330519 XOTAQHLMEATPSY-GOSISDBHSA-N 366.505 4.223 0 40 FIAB Cc1ccc2cccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)c2n1 539117701 ODZOYUQFRDMQHD-UHFFFAOYSA-N 356.447 4.131 0 40 FIAB Fc1ccc(C(F)(F)F)c(Br)c1I 575687566 DKIZSPAHWKXKDR-UHFFFAOYSA-N 368.893 4.212 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ncc(C(C)(C)C)o1 673774761 BXRLGOFZOVGFIP-AWEZNQCLSA-N 359.470 4.386 0 40 FIAB CCOC(=O)c1cc(Cl)cnc1[C@@H](NC(=O)OC(C)(C)C)C(C)C 1565504784 JGHRDCRBFFKUSI-ZDUSSCGKSA-N 356.850 4.134 0 40 FIAB Cc1ccccc1CN(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 11660680 DGZWRLZQMLAPLP-KRWDZBQOSA-N 374.893 4.110 0 40 FIAB Cc1[nH]c2nc(-c3cccc4ccccc34)nn2c(=O)c1Cc1ccccc1 101823669 QHEZLSABFMCDLB-UHFFFAOYSA-N 366.424 4.137 0 40 FIAB Cc1ccc(CSc2nnc(CSc3nc(C)cc(C)n3)n2C)cc1 907069 CXAYDNWSJZOJDF-UHFFFAOYSA-N 371.535 4.115 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccn(-c2ccccc2)n1 32682179 RCMIGHMFQRFCPB-UHFFFAOYSA-N 359.351 4.163 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCC(n2nnc3cc(F)ccc32)CC1 1380772 GJJJCBSTSLZXQV-UHFFFAOYSA-N 373.819 4.093 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)Oc1ccc(Cl)c2cccnc12 32675835 ILUISUNQRVXVGZ-UHFFFAOYSA-N 369.804 4.248 0 40 FIAB c1ccc(CN2COc3c(ccc4c3OCN(Cc3ccccc3)C4)C2)cc1 1594599 AOZNAIBBITZLIO-UHFFFAOYSA-N 372.468 4.391 0 40 FIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2nccnc2c1 8280409 KSSIGQKZSIUHDH-UHFFFAOYSA-N 371.425 4.258 0 40 FIAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1C(C)C 4861082 JLGZXHLLAPIBFN-UHFFFAOYSA-N 352.891 4.114 0 40 FIAB COc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(C)c(C)c3)nc2c1 828060 MCPQIAVXNXNDQI-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccnc1 939389 SXIKENDAOURAKY-UHFFFAOYSA-N 370.405 4.378 0 40 FIAB O=C(NC1CCCCCCC1)c1ccccc1I 903261 OMZXGDFMNCNDCH-UHFFFAOYSA-N 357.235 4.134 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1Cl)N[C@@H]1CCCc2ccccc21 20486848 KXIWNUHHEIIMQP-QGZVFWFLSA-N 370.301 4.490 0 40 FIAB COc1ccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)c(OC)c1 61718840 PIIOWARAVSTANH-UHFFFAOYSA-N 365.433 4.265 0 40 FIAB Cc1nc(SCC(=O)Nc2ccccc2F)c2c3c(sc2n1)CCC3 3267148 BPDAHGPEFGIYRC-UHFFFAOYSA-N 373.478 4.358 0 40 FIAB C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccncc1 25079659 OYDMWFHSBJUXEW-HNNXBMFYSA-N 354.413 4.183 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 12565560 XPZSGEUCCDXKID-IYBDPMFKSA-N 369.436 4.225 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(C)nn2C2CCCC2)cc1OCC 28246734 DAGAUJGTBPVNNX-UHFFFAOYSA-N 357.454 4.356 0 40 FIAB Cc1ncc(C(=O)Nc2ccc(Oc3ncccn3)cc2)n1-c1ccccc1 78899864 QIAUGOABEZKFTF-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(OC)c1)CO3 2112509 FPKHDOGVKJQAQC-UHFFFAOYSA-N 365.429 4.419 0 40 FIAB biogenic CN(C)CCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 22075921 KOBASWSXCLAJAF-UHFFFAOYSA-N 352.453 4.209 0 40 FIAB O=C1[C@H]2CS[C@H](c3ccccc3F)N2C(=O)N1c1ccc(Cl)cc1 2266886 BWGGJIWIMAYKAY-GDBMZVCRSA-N 362.813 4.062 0 40 FIAB O=S(=O)(N[C@H](c1cccs1)C1CC1)c1cccc(Cl)c1Cl 10683114 ZDGPWXBTAXUXHL-AWEZNQCLSA-N 362.303 4.485 0 40 FIAB CC(C)NC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccsc2)c1 48260979 ZSQXEVXWUOLUGQ-QGZVFWFLSA-N 357.479 4.255 0 40 FIAB CN(C(=O)CCc1nnc(-c2ccccc2)o1)[C@@H]1CCCc2ccccc21 29258338 YBQJLBAOOIBPQR-LJQANCHMSA-N 361.445 4.205 0 40 FIAB COc1cccc(C(=O)Nc2nc(SCc3ccccc3)ns2)c1 12743761 SPTCXAZNSSZDQP-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB Cc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4)o3)c(Cl)cc12 12815238 RXIALBDCHOBDMD-UHFFFAOYSA-N 368.776 4.384 0 40 FIAB COc1ccc(NC(=O)CN2CCCCC[C@H]2c2ccc(OC)cc2)cc1 12987350 VCPLGSDSLJBGFJ-NRFANRHFSA-N 368.477 4.260 0 40 FIAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(Cl)cc1Cl 3620200 DBGIFQNRKLQKGD-UHFFFAOYSA-N 364.228 4.130 0 40 FIAB Cc1ccc(C)c(CSCCC(=O)Nc2ccc3c(c2)OCCO3)c1 13023007 JSMVBUPVMSVRTH-UHFFFAOYSA-N 357.475 4.337 0 40 FIAB Cn1c2c(sc1=O)[C@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 49545653 UHQANRIQHLYUEJ-AWEZNQCLSA-N 370.861 4.301 0 40 FIAB CN(Cc1ccccc1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 17334619 ZAPRAZCCZJRLRM-UHFFFAOYSA-N 371.440 4.186 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(CN2CCCC2=O)c1 14188223 QDZFVKYQWUAGOW-UHFFFAOYSA-N 362.351 4.080 0 40 FIAB COc1cc(OC)cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 4769862 WIUHSCUDXGTFCD-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915979 YVCQLADPAZVQRJ-MFYMMNNRSA-N 374.521 4.155 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N2CCc3cc4cc(C)ccc4nc32)c(C)c1 15841883 GJJWCHAWFWKGEO-UHFFFAOYSA-N 366.486 4.220 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 7668697 ZGDTXCWEBROJKR-JXFKEZNVSA-N 360.523 4.326 0 40 FIAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN2CCc3ccccc3C2)CCCC1 28296719 HCDJNEJOECELJK-NRFANRHFSA-N 374.528 4.248 0 40 FIAB CN(C)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 8020334 XHRWHNXKANBMFT-INIZCTEOSA-N 365.502 4.382 0 40 FIAB O=C1NC(=O)/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)S1 9310520 CUOWDGRHXSZRIS-REZTVBANSA-N 355.459 4.184 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890698 VLCINIXOCGMTQE-SNVBAGLBSA-N 366.352 4.429 0 40 FIAB CC(C)c1nc(C2(NCc3cc(Cl)nc(Cl)c3)CCCC2)no1 84631057 VQGVBFKACROJOJ-UHFFFAOYSA-N 355.269 4.454 0 40 FIAB COC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1C 29155038 RLPCZZOLQCVCDX-UHFFFAOYSA-N 355.434 4.231 0 40 FIAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@H](C2CCOCC2)C1 89420057 QPOICTVBPNBDAK-OCCSQVGLSA-N 372.292 4.036 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C 408560980 SLZTUKGRRFRYOR-UHFFFAOYSA-N 373.309 4.195 0 40 FIAB COc1cccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)c1 408655245 GRYBDFWWOKWRSB-INIZCTEOSA-N 367.445 4.086 0 40 FIAB CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1c[nH]nc1-c1ccccc1 79474216 IMGTZECCSJXBNK-QGZVFWFLSA-N 353.451 4.278 0 40 FIAB CCOC(=O)c1c(C)oc2ccc(OCc3ccc(C(=O)O)cc3)cc12 11867671 IMCOTNSKYAWQCC-UHFFFAOYSA-N 354.358 4.195 0 40 FIAB biogenic c1ccc(-c2noc([C@@H]3CCN(Cc4cccc5cccnc45)C3)n2)cc1 72369827 BJEMQQBVZYTYRR-LJQANCHMSA-N 356.429 4.274 0 40 FIAB Cc1cc(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)c(C)o1 567817992 RBCXOKMVOZRMEF-UHFFFAOYSA-N 367.367 4.351 0 40 FIAB COC(=O)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 226343993 AOVSEGDHIOAJMX-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225620945 ZXQWGFVPBQUJAQ-QAPCUYQASA-N 357.450 4.047 0 40 FIAB CCC[C@H](C)NC(=S)Nc1nc(C)cc(Nc2ccc(OCC)cc2)n1 225200970 UCVCDMVRTRYGHD-ZDUSSCGKSA-N 373.526 4.402 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 224023803 QXXOMAYTOSJJER-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCOc1ccc(CNC(=O)CCc2ccc(OC)c(C)c2)cc1OCC 222922179 RQMLSGZVZBZKJZ-UHFFFAOYSA-N 371.477 4.050 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1 224758105 JDFXPZAGLGUOLL-GOSISDBHSA-N 368.546 4.221 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccccc1 224412225 BYZTXUFGFACLHB-VGSWGCGISA-N 367.489 4.307 0 40 FIAB CC(C)c1cc(C(=O)Nc2cccc3cccnc23)nc(N2CCCC2)n1 96101272 FTRQUBLBROUWJE-UHFFFAOYSA-N 361.449 4.001 0 40 FIAB CCO[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2cc(C)ccc21 96161193 BEILUEHNNZNGKC-HXUWFJFHSA-N 350.462 4.045 0 40 FIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(c2noc3cc(F)ccc23)CC1 247823830 IJBUCIICBBRNKU-ZTFGCOKTSA-N 366.436 4.275 0 40 FIAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)c2ccc(F)cc2)nc1 257255948 KJMULOKKLYDQRD-IBGZPJMESA-N 365.408 4.470 0 40 FIAB CC(C)=C1[C@H]2C=C[C@H]1[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]2C(=O)O 253608006 PQZVPLJDBHJGNI-XYPYXGAPSA-N 366.244 4.401 0 40 FIAB Clc1ccccc1Cc1cnc([C@@H]2CCCN(c3ncccn3)C2)o1 257219807 DIFXUIPCQOFIAH-OAHLLOKOSA-N 354.841 4.093 0 40 FIAB Cc1cc(Oc2ccccc2)ccc1NC(=O)N1CC2(CCOCC2)C1 645004979 WUBFBHDMZCGJLL-UHFFFAOYSA-N 352.434 4.432 0 40 FIAB COc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[C@H]43)nn2-c2ccccc2)cc1 606403356 ZDYUKSZCRQXKGC-DYESRHJHSA-N 373.456 4.172 0 40 FIAB O=C(c1cc2ccccc2s1)N1CC[C@@H](Oc2ccncc2Cl)C1 575604973 DRKFNCWIEBSFMA-CYBMUJFWSA-N 358.850 4.243 0 40 FIAB COC(=O)CC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 5914493 URHXDUOSHAYTTB-UHFFFAOYSA-N 367.426 4.233 0 40 FIAB COc1ccc(CCNC(=O)Cc2sc(C)nc2-c2cccs2)cc1 11905912 GJGIVCMDEXUCLN-UHFFFAOYSA-N 372.515 4.090 0 40 FIAB C[C@H](C(=O)N1CCC(c2ncncc2-c2ccncc2)CC1)c1ccccc1 12088663 VRIBLPYMDFYQKP-KRWDZBQOSA-N 372.472 4.048 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccco1 12767959 DWBMMNNHYUCFJC-UHFFFAOYSA-N 353.218 4.492 0 40 FIAB Cc1ccc2c(c1)[C@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 13787944 UWECSWSUUKRNDN-JOCHJYFZSA-N 352.397 4.090 0 40 FIAB CC[C@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C 19663067 SZAVNETXVKGCFS-KRWDZBQOSA-N 365.481 4.086 0 40 FIAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2Cl)C1 2037909295 NTAOTSWARFVODE-FQEVSTJZSA-N 359.853 4.040 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1(C)C 1427360 UWCMSFXIYASZKA-IEBWSBKVSA-N 354.494 4.490 0 40 FIAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3cc(C)ccc3C)n2)cc1 32951257 YPQWTCBJBHDUKP-UHFFFAOYSA-N 361.445 4.395 0 40 FIAB CCc1nccn1CC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 2086889739 VZHLUXBUUIJBOJ-UHFFFAOYSA-N 366.412 4.210 0 40 FIAB COc1ccc(-c2nsc(SCC(=O)OCc3ccccc3)n2)cc1 4167547 RUEIALGHIQZECI-UHFFFAOYSA-N 372.471 4.049 0 40 FIAB O=Cc1cn(CC(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc12 6816515 DIOGVIPDLJEMBM-UHFFFAOYSA-N 361.426 4.216 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)N1CCSc2ccc(Cl)cc21 40071140 OUMIAZCMZNYRLM-UHFFFAOYSA-N 361.850 4.140 0 40 FIAB COc1cccc(-n2ccnc2SCc2cn3cccc(C)c3n2)c1 40024323 DTNZONQNOZRFPW-UHFFFAOYSA-N 350.447 4.129 0 40 FIAB C[C@@H]1CCCC[C@@H]1NCc1cc(=O)n2c(-c3ccccc3)csc2n1 40460176 HXMGWRZLDRZTMV-PBHICJAKSA-N 353.491 4.091 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(c2ccccc2)CC1 32366666 HKHGQARBYKADOB-QHCPKHFHSA-N 374.484 4.357 0 40 FIAB COc1ccccc1-c1nn2c(Cc3ccc(Cl)cc3)nnc2s1 1018192 ZNCPYWUQYXWZRE-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB Cc1cc(C)c2oc(-c3ccco3)c(OC(=O)c3cccnc3)c(=O)c2c1 1287522 WSSXKLGLKJNDAO-UHFFFAOYSA-N 361.353 4.284 0 40 FIAB Cc1nc(SCC(=O)OC(C)C)c2c3c(sc2n1)C[C@H](C)CC3 1326128 HOTIIBZCHYDAOU-SNVBAGLBSA-N 350.509 4.168 0 40 FIAB Clc1cccc(CSc2ncnc3c2ncn3[C@@H]2CCCCO2)c1 2047127 YQXTWCTXAFQTLA-AWEZNQCLSA-N 360.870 4.471 0 40 FIAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC[C@H]4CCCO4)nc3C2)cc1 2110795 XFUSOAFMRKRHNP-ZWKOTPCHSA-N 365.477 4.104 0 40 FIAB biogenic Nn1c(SCc2ccc(Br)cc2)nnc1C1CCCCC1 2207565 SRADJLOHZRWKRP-UHFFFAOYSA-N 367.316 4.094 0 40 FIAB COc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1 2257622 SURYYHLWFLYZBE-UHFFFAOYSA-N 356.385 4.296 0 40 FIAB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(=O)[nH]cnc4c23)CO1 2296449 ZHMIKVUDJUXOHS-UHFFFAOYSA-N 363.442 4.051 0 40 FIAB CCOc1ccc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c2c1 3292602 QLFFXUJVERRSIF-UHFFFAOYSA-N 358.482 4.179 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1C 3309306 JFCZGQHWHIEDTM-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCN(C(=O)COC(=O)c1sccc1C)c1cccc2ccccc12 3317277 HMGABIDBJMATQN-UHFFFAOYSA-N 353.443 4.420 0 40 FIAB CC(C)[C@H](C(=O)OCC(=O)N(C(C)C)C(C)C)c1ccc(Cl)cc1 3342056 UKDFVAGQQBWLIM-SFHVURJKSA-N 353.890 4.268 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)oc2ccccc12 3437555 CRJREEDBNNUXJR-QGZVFWFLSA-N 352.434 4.291 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 4920713 VOVMEIADZPZBCI-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB COc1cc(C)ccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 5198519 BTFLHVMIAUMUCV-KRWDZBQOSA-N 368.477 4.400 0 40 FIAB CSc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1 5240180 VLANCYUXBCHMTM-UHFFFAOYSA-N 368.443 4.321 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 5259281 QWMPEZRKINKYGF-UHFFFAOYSA-N 358.445 4.305 0 40 FIAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc2c(c1)CCCC2 5401605 BWHYPZXHMUEUIX-UHFFFAOYSA-N 353.491 4.344 0 40 FIAB Clc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1Cl 5518225 WRSLCKBFJDCUQB-UHFFFAOYSA-N 362.245 4.005 0 40 FIAB Cc1ccccc1-c1nnc(SCc2cn3cc(Cl)ccc3n2)n1C 5859188 JOXCUOALAJOYPN-UHFFFAOYSA-N 369.881 4.384 0 40 FIAB Cc1ccc(NC(=S)NC[C@@H](c2ccco2)N2CCCC2)cc1Cl 5937086 RHFYLVFBVMIHFI-INIZCTEOSA-N 363.914 4.365 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 5944535 GDHOLUQJIMYDMZ-UHFFFAOYSA-N 355.488 4.432 0 40 FIAB O=C(COc1cccc2cccnc12)NCc1ccc(Cl)cc1Cl 6128046 XWFGOPVPYKUUPB-UHFFFAOYSA-N 361.228 4.237 0 40 FIAB COc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 6170374 OQJVVRAHTDONCL-UHFFFAOYSA-N 359.838 4.109 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 6566178 OAWFPIZGCPVACK-OXQOHEQNSA-N 351.446 4.205 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)s2)cc1 6602851 GAHKVXJYJWVTJS-UHFFFAOYSA-N 355.912 4.138 0 40 FIAB CCCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1 6880926 DVYJCUQUEKBYLU-QGZVFWFLSA-N 366.461 4.084 0 40 FIAB Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1C 6945132 CKXVXNQGZKTCMQ-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 6958731 XHPINIXJUULLTL-MRXNPFEDSA-N 367.518 4.360 0 40 FIAB COc1ccc2nc(SCc3nnc(-c4cc(C)oc4C)o3)[nH]c2c1 6975194 CQCAJDSESGPIPZ-UHFFFAOYSA-N 356.407 4.124 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(OC)cc1)O[C@H](C)C2 7652284 GYQANPADJRPORK-AZWQULSGSA-N 353.418 4.069 0 40 FIAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc2c(c1)CCC2 8312192 MRAQUTOWWFLGCO-LLVKDONJSA-N 355.488 4.385 0 40 FIAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1 8685976 LHDQWAIRSMDBRU-AYHJJNSGSA-N 369.534 4.378 0 40 FIAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1C 9517153 FPNHEDGZXSDURN-QFIPXVFZSA-N 358.445 4.187 0 40 FIAB CC(C)[C@H](NC(=O)CN(Cc1ccco1)Cc1ccco1)c1cccs1 11471225 WZVYWYBXOUZNRI-FQEVSTJZSA-N 372.490 4.450 0 40 FIAB COc1ccc(/C=C/C(=O)O)cc1OCc1ccc(Br)cc1 11860459 BGGAVHYKKCBTKF-WEVVVXLNSA-N 363.207 4.135 0 40 FIAB Cc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 11914731 CEIZNDCBNWMBFP-UHFFFAOYSA-N 350.393 4.141 0 40 FIAB Cc1nc(/C=C/C(=O)N[C@@H](C)c2ccccc2Br)cs1 12230052 LFHKFURTTRVCAC-JARNTUPDSA-N 351.269 4.105 0 40 FIAB Cc1cc(NC(=O)C(C)(C)C)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12441974 KFKBRYGLKGAIKA-UHFFFAOYSA-N 358.442 4.428 0 40 FIAB Cc1ccc(C)c(Sc2ncccc2C(=O)NCCCOC(C)C)c1 12741088 LXUQRSGRBIFSSY-UHFFFAOYSA-N 358.507 4.395 0 40 FIAB CN(C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1)c1ccccc1 12901573 VMAJUHUIVFGLBF-QFIPXVFZSA-N 362.498 4.359 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(OCc2cscn2)cc1 12992026 BLJFDCJAODWTLD-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccccc3C)sc2c1 14257663 NUMHMSOLLUWCJQ-UHFFFAOYSA-N 355.488 4.348 0 40 FIAB O=C(COc1ccccc1Cl)N(Cc1cccs1)c1ccccn1 15669855 VYBMRUDURUIFHZ-UHFFFAOYSA-N 358.850 4.409 0 40 FIAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc2c(c1)CCCC2 17366024 DDOWPJIINGCHHL-UHFFFAOYSA-N 362.473 4.444 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c23)cc1 19715823 YFIRRHKKGLIZGB-GOSISDBHSA-N 365.433 4.216 0 40 FIAB O=C(Nc1nnc(Cc2nc3ccccc3s2)s1)c1cccs1 20946396 MIEZNLJUJTXGSL-UHFFFAOYSA-N 358.473 4.052 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 21894964 FLINIVKZSZYECK-OAHLLOKOSA-N 351.475 4.286 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 22515331 BFMVRGVKRKMQMQ-QGZVFWFLSA-N 366.461 4.145 0 40 FIAB C(=C/c1ccccc1)\CSc1nnc([C@@H]2COc3ccccc3O2)o1 26436491 LRFINJSEEIIQEW-NADMHLTPSA-N 352.415 4.388 0 40 FIAB CCc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27580655 YUINCNZGGHFOOA-IBGZPJMESA-N 372.534 4.033 0 40 FIAB CC[C@@H](Nc1ccc(NC(=O)C(C)C)cc1)C(=O)Nc1ccc(F)cc1 28625772 UXLOKDQURWQBFE-GOSISDBHSA-N 357.429 4.249 0 40 FIAB Clc1ccc(-c2nc(CSc3nncn3-c3ccccc3)no2)cc1 29322166 WWJKSFUTTAJMLM-UHFFFAOYSA-N 369.837 4.263 0 40 FIAB Cn1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)n1 32778120 USBNDMRNPORVMN-UHFFFAOYSA-N 364.430 4.106 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(Cl)cc1)c1ccncc1 35290506 GOQNWFXKHVRZEX-IHWFROFDSA-N 369.896 4.051 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2F)C3)cc1 35290814 SRDMJVXGCDKPDF-IHWFROFDSA-N 366.480 4.450 0 40 FIAB Cc1ccc(/C=C2\S/C(=N/c3ccc(Br)cc3)NC2=O)o1 35646930 SMLNRNOWMWDLBX-JYRVWZFOSA-N 363.236 4.242 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1Cl 36635784 WPLXMYQOZJCFSG-CYBMUJFWSA-N 369.635 4.391 0 40 FIAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccccn2)cc1 37868572 GCMIHAVVZNZNBT-FNZWTVRRSA-N 374.421 4.091 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1cccc2cccnc12 39540062 QWHKKDGBYBBVJM-UHFFFAOYSA-N 368.864 4.405 0 40 FIAB Cc1ccccc1CNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39759661 QEDQEPMQUOPRPW-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1Cc1cccs1 39977902 KNDQLKDJHPRXTB-UHFFFAOYSA-N 368.458 4.238 0 40 FIAB COc1cccc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)c1O 40032286 IOYLESOTITWHCM-JTQLQIEISA-N 362.332 4.064 0 40 FIAB CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccnc1 40068928 VUDGGJLFFASUOV-VQIMIIECSA-N 368.477 4.368 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c(C)c1 40081739 NMCKJXDKUHHHPT-UHFFFAOYSA-N 357.400 4.317 0 40 FIAB CC(C)c1nc2cc(NC(=O)Cc3ccc4c(c3)OCCCO4)ccc2[nH]1 40286121 NAPYJWLNEJCWNT-UHFFFAOYSA-N 365.433 4.029 0 40 FIAB COc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1OC(F)F 47892455 QOKIGZOTYXRNJD-UHFFFAOYSA-N 367.314 4.148 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CN1CCN(c2cccc(C)c2C)CC1 54225151 HHKAWXTYKDGWHI-UHFFFAOYSA-N 371.912 4.026 0 40 FIAB CCN(C(=O)c1sc(-c2ncccn2)nc1C)[C@@H](C)c1ccc(F)cc1 55444215 AAVWTHNNCJSQSO-ZDUSSCGKSA-N 370.453 4.271 0 40 FIAB C[C@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1ccc(F)c(F)c1 58010824 QMFJGCPLYMOYFS-ZDUSSCGKSA-N 356.376 4.092 0 40 FIAB Cc1ccccc1-n1ncc(C(=O)NCc2cc(-c3ccccc3)on2)c1C 58175609 FYXFLGWEKNHCSE-UHFFFAOYSA-N 372.428 4.074 0 40 FIAB CCCC(C)(C)NC(=O)c1sc(COc2ccc(F)cc2)nc1C 65408939 HXFUSVDTTNREJF-UHFFFAOYSA-N 350.459 4.478 0 40 FIAB Brc1ccc(-c2nn3c(-c4ccsc4)nnc3s2)cc1 66087732 BVBJMLFOIBFWPH-UHFFFAOYSA-N 363.265 4.344 0 40 FIAB O=C(OCc1coc(-c2ccc(Cl)cc2)n1)c1cc(-c2ccco2)[nH]n1 71798392 CTNRMMZRISOMNH-UHFFFAOYSA-N 369.764 4.335 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc2ccccc2n1 71837487 NXIRKPMDGPALSK-UHFFFAOYSA-N 359.429 4.032 0 40 FIAB O=C([C@@H]1C[C@H]1c1ccccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 72271167 VBOKXXCIUDYJMR-ZWKOTPCHSA-N 361.420 4.121 0 40 FIAB C[C@@](O)(CNC(=O)CC(c1ccccc1)c1ccccc1)c1ccsc1 72294108 YIXJGQYJQDYXSU-JOCHJYFZSA-N 365.498 4.294 0 40 FIAB Fc1ccc(Cc2cccc(C3CCN(C4CCOCC4)CC3)n2)cc1 72350096 WXLWXXSOCBZWHV-UHFFFAOYSA-N 354.469 4.170 0 40 FIAB c1ccc(CCN2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 72375935 PXOYXFBPHYHAMA-IBGZPJMESA-N 359.477 4.037 0 40 FIAB O=C(C1CCCC1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 72378335 QBPFFINRTXFMFD-FQEVSTJZSA-N 371.456 4.024 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1OC 72403051 NRENBTNNTJDLLG-AWEZNQCLSA-N 369.446 4.134 0 40 FIAB Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)oc2ccccc12 79021738 HYAQVVROXIQWID-UHFFFAOYSA-N 363.291 4.252 0 40 FIAB CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(N2CCCC2)c(F)c1 83013429 NRCCNCFXWBOQDC-UHFFFAOYSA-N 373.497 4.033 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 84673332 CEBLUTLGPWMKDF-SFHVURJKSA-N 366.461 4.369 0 40 FIAB CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 95434420 AHSNUGAAJJGNSV-QGZVFWFLSA-N 368.477 4.047 0 40 FIAB C[C@H](OC(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2o1 95462438 YRDDVINUJONLIU-NSHDSACASA-N 354.387 4.391 0 40 FIAB Fc1ccccc1CN1CCOC[C@H]1c1nc(-c2cccc(Cl)c2)c[nH]1 96296210 HLRYEKPLZINSOE-IBGZPJMESA-N 371.843 4.443 0 40 FIAB biogenic,in-vitro CCCCn1nc(C)c(CNc2cccc(Br)n2)c1Cl 97162779 IVFCPTLLFHJEJT-UHFFFAOYSA-N 357.683 4.415 0 40 FIAB CCCN1CCC(NC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 97595734 ZQSVPRBWRWVSLH-UHFFFAOYSA-N 353.466 4.475 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2cc(C)cc(C)c2C)c1 218968301 VDNWTDVJCGQXGW-UHFFFAOYSA-N 355.434 4.114 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)COc1ccccc1C 219367088 ADTSVAUWKICGOU-PKOBYXMFSA-N 355.478 4.353 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 222868285 WGARSZHGISTKLB-ROUUACIJSA-N 357.450 4.129 0 40 FIAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222936602 CCPZWKZOGSKUFR-CQSZACIVSA-N 361.532 4.327 0 40 FIAB COc1cccc(NC(=O)NCCSCc2ccc(Cl)cc2)c1 225759437 MZCFCHPBUSEUCT-UHFFFAOYSA-N 350.871 4.404 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225777737 HMIHVMLSLWVZAF-HOTGVXAUSA-N 353.462 4.219 0 40 FIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225796665 KZWSCPTZYAMSGC-JLTOFOAXSA-N 365.470 4.184 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225799890 DNIKAVDGFKRYCY-FQEVSTJZSA-N 365.470 4.184 0 40 FIAB CCc1ccc(NC(=S)NCc2nc(-c3ccc(C)cc3)no2)cc1 225816194 GLANPTBGQCPLSR-UHFFFAOYSA-N 352.463 4.094 0 40 FIAB COCCC(=O)N1CCCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 257212273 CCPVKEGNIOHOSF-FQEVSTJZSA-N 356.441 4.286 0 40 FIAB Cc1ccnc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257253440 JYYFAUDVOYRZAS-OAQYLSRUSA-N 373.456 4.487 0 40 FIAB CC(=O)N1CCc2c(NC(=O)NCc3ccccc3CC(C)C)cccc21 529064171 MTDBSCGCTSQZDZ-UHFFFAOYSA-N 365.477 4.116 0 40 FIAB O=C(Nc1scnc1C1CC1)C1(Cc2ccc(F)cc2)CCOCC1 551780311 REMCTBPUDMZBLV-UHFFFAOYSA-N 360.454 4.138 0 40 FIAB FC(F)(F)c1ccc(-c2n[nH]cc2CN2CC[C@]3(CCCOC3)C2)cc1 585081408 AKHPAJOQQJFUBA-GOSISDBHSA-N 365.399 4.098 0 40 FIAB Cc1ccncc1CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)OC1(C)C 613298484 UQYJHJUVXZHWDJ-HXUWFJFHSA-N 366.505 4.307 0 40 FIAB CCNc1ccc(Cl)cc1C(=O)N1CCO[C@H](C2CCCCC2)C1 622510013 TTZHHTUBEQVTTK-SFHVURJKSA-N 350.890 4.193 0 40 FIAB COc1cccc(OC)c1-c1nn2c(-c3ccccc3Cl)nnc2s1 2195590 CYWYAAPWVQSDNJ-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB Cc1cc(C)c2oc(C(=O)Nc3ccc(OC(F)F)cc3)cc(=O)c2c1 2353625 CVFQSOVHUYZZCS-UHFFFAOYSA-N 359.328 4.264 0 40 FIAB CCOc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2)cc1 2723019 LPIWNYBNAWENOA-UHFFFAOYSA-N 367.474 4.310 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(F)(F)F)cc2)cc1 3250721 SSOVOLVTABSSKD-LBPRGKRZSA-N 365.351 4.452 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 3362183 BQXVSSHIGFIKJB-OAQYLSRUSA-N 370.452 4.341 0 40 FIAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(Cl)cc1 3386165 HIGSTIIHIBIKKG-UHFFFAOYSA-N 356.775 4.429 0 40 FIAB CCC[C@@H](C)NC(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 3530603 JKNMBWNIJZGCDD-GFCCVEGCSA-N 364.540 4.241 0 40 FIAB Cc1cnc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1 3542622 DPYPTDPLFNQVIR-NRFANRHFSA-N 371.396 4.047 0 40 FIAB CCc1n[nH]c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)n1 4999440 ANWWZDKXVVNSED-CQSZACIVSA-N 352.463 4.213 0 40 FIAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Br)c1 5127075 SAZMSIGWHWNHKN-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5476787 MOCSPHSWORPUIA-GOEBONIOSA-N 354.425 4.331 0 40 FIAB CCC(=O)NCCCc1nc2ccccc2n1Cc1ccccc1Cl 5545865 VQEIZMCVMNWHSH-UHFFFAOYSA-N 355.869 4.197 0 40 FIAB CCOc1ccccc1N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 5585079 JCOGZIWIPKXGRD-UHFFFAOYSA-N 363.413 4.037 0 40 FIAB Cc1ccc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 5746754 NQHFNRKDIDHSGQ-UHFFFAOYSA-N 361.397 4.408 0 40 FIAB COc1cccc(Nc2nnc(SCc3cn4ccccc4n3)s2)c1 6648610 NBAIZZIDJBIHMH-UHFFFAOYSA-N 369.475 4.230 0 40 FIAB CC(=O)c1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 7096590 QQEQGSKVQIXBJH-OAQYLSRUSA-N 365.454 4.235 0 40 FIAB biogenic Cc1nc(CSc2nc(-c3ccccc3Br)n[nH]2)cs1 7252134 WSPFXQGTEKIOHN-UHFFFAOYSA-N 367.297 4.291 0 40 FIAB C[C@@H]1Cc2cc(-c3csc(-c4ccccc4)n3)ccc2N1S(C)(=O)=O 7273316 UTOLOWLGWTZRKV-CYBMUJFWSA-N 370.499 4.188 0 40 FIAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 7306362 JBWMHZVGAVWHRT-UHFFFAOYSA-N 370.758 4.117 0 40 FIAB CC[C@H](O)c1nc2ccccc2n1CCCCOc1ccc(OC)cc1 7548418 OEFKHEBRMQWDME-FQEVSTJZSA-N 354.450 4.348 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1 7830404 KPPZRKHECMVDLB-ZDUSSCGKSA-N 366.442 4.353 0 40 FIAB Cc1ccc(Nc2nc(CSc3nnnn3C3CC3)cs2)cc1C 8026993 WNHACFJZAFSHDN-UHFFFAOYSA-N 358.496 4.117 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 8042182 UVHAQGBKCHXWRH-UHFFFAOYSA-N 355.438 4.371 0 40 FIAB O=C(NC1CC1)[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 8395209 CCIFZKOVQJOACO-INIZCTEOSA-N 357.866 4.328 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN(C)Cc3ccco3)cc2)cc1 8428041 RGLXCBSVTFKHMO-UHFFFAOYSA-N 350.418 4.173 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 8780284 NWKSXWAZRGGRLF-INIZCTEOSA-N 350.393 4.221 0 40 FIAB COc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8862968 VGMNFWUTOCGKIC-LJQANCHMSA-N 358.507 4.104 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(F)c3)ccc21 8958899 QYZLXEXXLQTKTA-UHFFFAOYSA-N 370.424 4.240 0 40 FIAB Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(C)(C)C)cc1 9059689 MDNSHYJQDYTGHY-UHFFFAOYSA-N 360.461 4.239 0 40 FIAB CCCCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 12541630 XPQKRJGMLATIQJ-UHFFFAOYSA-N 374.506 4.058 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)N2CCC2)cc1 12568158 QCRYWVGKUCVJLA-UHFFFAOYSA-N 351.837 4.347 0 40 FIAB CCN(Cc1cccs1)C(=O)c1cc(C)nc2c1nc1n2CCCCC1 12774163 MGZYLDXXSLEZLF-UHFFFAOYSA-N 368.506 4.190 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)NC3CCCC3)cs2)cc1 12982284 HWJIWCWBBXVVHT-UHFFFAOYSA-N 362.520 4.111 0 40 FIAB C[C@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccccc2Br)s1 13004176 WRKLXTVYYYBVTO-CABZTGNLSA-N 351.269 4.091 0 40 FIAB Cc1cc(NC(=O)CSCc2ccc(F)cc2)ccc1N1CCCC1=O 13022251 PXKJDKIGQWQMEZ-UHFFFAOYSA-N 372.465 4.133 0 40 FIAB Cc1ccc2oc(CN(CCCN(C)C)Cc3ccccn3)c(C)c2c1 13990795 JKCACRHSCDCHQJ-UHFFFAOYSA-N 351.494 4.399 0 40 FIAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@@H]1Cc2ccccc2O1 15610900 GDYFDRNOUPBIDM-IBGZPJMESA-N 356.853 4.273 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc1C 15883005 WJANDNHLRLPAJY-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB COc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)c1 17118298 LHHUQKFXVYMJRR-FXBPSFAMSA-N 363.200 4.080 0 40 FIAB Cc1ccc(OCC(=O)Nc2cncc(-c3nc4ccccc4o3)c2)cc1 20103014 BLDLSMNEUNVZRH-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB CCOc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3OC)o2)cc1 20496005 VBTNAYBEGTXYDZ-UHFFFAOYSA-N 373.796 4.050 0 40 FIAB C[C@H](CC(=O)NC(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 21306108 MDXGVSSBMWZMNY-GOSISDBHSA-N 372.468 4.101 0 40 FIAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 22192173 SLMSOGYBFQZVBE-UHFFFAOYSA-N 366.442 4.396 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(-n2ccnc2)cc1 23889949 GUAOJHDDLLABPS-UHFFFAOYSA-N 366.471 4.239 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccccc2C)c1 25078600 XKSXDPXZGSZDPF-HNNXBMFYSA-N 359.491 4.123 0 40 FIAB Cc1nc(CSc2ccccc2C(=O)Nc2cc(F)cc(F)c2)no1 25497036 XFVGBSFCAQLGHP-UHFFFAOYSA-N 361.373 4.201 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCCCC1 27580682 QGWSYRJDEPKJHE-QGZVFWFLSA-N 362.926 4.287 0 40 FIAB Cc1cccc(NC(=O)COc2cccc(-c3nc(C(C)C)no3)c2)c1C 33012526 PNRMKOGOWCMPMH-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB Cc1nc(/C=C2/C(=O)N(c3ccccc3C)C(=O)c3ccccc32)cs1 33039494 NFTGPVASMKRDFT-WOJGMQOQSA-N 360.438 4.488 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34648097 VUHJZBBCZGVNDZ-GLABIRJZSA-N 362.897 4.181 0 40 FIAB COc1ccccc1NC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1 35291870 NIUANFWDGHAMQT-UHFFFAOYSA-N 364.449 4.291 0 40 FIAB Cc1ccc(C)c(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)CC2)c1 35448443 FNMXDFXJBVEFTJ-UHFFFAOYSA-N 361.489 4.098 0 40 FIAB CCOC(=O)[C@H](C)Oc1ccc(CNC2CCCCCCC2)cc1OC 36611752 JUUYOLSVNPHHBX-INIZCTEOSA-N 363.498 4.228 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1 40844407 ZYXMUOAKBWBDLT-UHFFFAOYSA-N 355.434 4.223 0 40 FIAB CCOC(=O)c1[nH]c2ccc(OC(F)(F)F)cc2c1Br 44676174 APESJMAQOSVTBB-UHFFFAOYSA-N 352.106 4.006 0 40 FIAB CCCC[C@@H](CC)CNC(=S)Nc1cccc(-c2nnnn2C2CC2)c1 48287060 UMJKXXIXNXIQHK-CQSZACIVSA-N 372.542 4.178 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cn3ccccc3n2)cc1 58162538 GELLKWWFZISOOQ-NRFANRHFSA-N 370.412 4.114 0 40 FIAB C[C@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(-n2cccn2)cc1 58265327 ANMUGAFZDRFYNA-CQSZACIVSA-N 360.866 4.202 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1C[C@H]1c1ccccc1F 58476532 UTEYVIPUPGFXCG-OALUTQOASA-N 352.453 4.188 0 40 FIAB C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2F)c2ccccc2S1 69194108 IEUFKIYSTOLGNU-HNNXBMFYSA-N 358.482 4.175 0 40 FIAB COc1ccc(Oc2cc(CNC(=O)NC[C@@H]3CC=CCC3)ccn2)cc1 69209135 WLBCVTFCGKFNHL-MRXNPFEDSA-N 367.449 4.038 0 40 FIAB CCN(CC)Cc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 71260542 HJGXBCSYTPRIGO-UHFFFAOYSA-N 356.282 4.001 0 40 FIAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2C)[nH]n1 72331605 VUGPCZYTIRMJHN-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349081 SUGRLGPORIUGOU-QGZVFWFLSA-N 361.420 4.303 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)cc1C(C)C 72414252 HYPYNGGHNVGHBQ-UHFFFAOYSA-N 370.474 4.476 0 40 FIAB Cc1nn(C)c(C)c1CNC(=O)CCCc1cn(C(C)C)c2ccccc12 79495110 NJVIHXMIUPFMSO-UHFFFAOYSA-N 366.509 4.212 0 40 FIAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)cc12 84169910 CLXPHNKZIIRIRF-DOTOQJQBSA-N 367.424 4.236 0 40 FIAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N1CC[C@H](c2ccccc2)C1 84525522 YYFYMSZPVVTMOB-GHTZIAJQSA-N 366.461 4.266 0 40 FIAB O=C(COCc1ccccc1)N[C@@H](Cc1cccc(O)c1)c1ccccc1 84539467 ANDBZJWLRDUIBT-QFIPXVFZSA-N 361.441 4.009 0 40 FIAB C[C@@H](Oc1cccnc1NS(=O)(=O)c1ccccc1)c1ccccc1 84660468 LHFGBKFQLPUEFT-OAHLLOKOSA-N 354.431 4.022 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)c(F)c1 95067923 RVOMDODBXOPWIU-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB COC(=O)c1ccc([C@@H]2SCC(O)=Nc3c2cnn3C2CCCC2)cc1 95473524 HNIHAWAYSIBILG-KRWDZBQOSA-N 371.462 4.209 0 40 FIAB CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccc(C)s1)c1ccccc1O2 96242679 MOOKGGDANWBIIK-LJQANCHMSA-N 370.518 4.051 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2)n1 109477348 OABAZUWMNPWCDP-QFIPXVFZSA-N 359.473 4.356 0 40 FIAB Cc1noc(-c2sccc2NC(=O)c2ccc(OC(F)(F)F)cc2)n1 207960038 XFLLAQHYMZNICV-UHFFFAOYSA-N 369.324 4.257 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(C)c1 219056301 JPQSUWDUZBVEIA-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)COc1ccccc1C 219320900 MNYDLNCBOWSDHD-NVXWUHKLSA-N 361.869 4.390 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 219498587 RLEGDEIFUYEDLB-HNNXBMFYSA-N 355.434 4.423 0 40 FIAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 222820809 JWMZFBMEFSJVGS-OAHLLOKOSA-N 362.901 4.084 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCCOc2cccc(C)c2C)c1 223899459 FPVCBALPJMSHGN-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB COc1cccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1 224040020 VTSZMMXVCWTOES-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(Br)cc2)cc1 224729360 LSGUBBCMCGDRFH-UHFFFAOYSA-N 368.296 4.227 0 40 FIAB CCN(c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929754 NVWFNNGERUCDCP-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 225029812 BTYQVAXRVSNIPB-UHFFFAOYSA-N 350.462 4.310 0 40 FIAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1ccncc1 225611049 ODBRIBKENUINQN-UHFFFAOYSA-N 351.928 4.345 0 40 FIAB CC1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Br)CC1 226275605 KCOUKDQDPZRNJJ-UHFFFAOYSA-N 365.193 4.186 0 40 FIAB O=C(NC1CCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257237227 HFQDUOPSYHORFC-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H]2NCCC[C@@]21C 257254986 KFQPHWZHXMYEPV-UZLBHIALSA-N 373.497 4.004 0 40 FIAB COc1ccc2c(c1)CN(C(=O)Nc1ccncn1)[C@H](C1CCCCC1)C2 333212123 PWYXAPIQUODZQZ-IBGZPJMESA-N 366.465 4.024 0 40 FIAB CCCCOC(=O)CN1C(=O)S/C(=C/C(C)=C/c2ccccc2)C1=O 409215764 ARKRTZXLHDFGNX-MHMBTURYSA-N 359.447 4.013 0 40 FIAB OCC[C@@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(Cl)cc1 515013930 OPQMTTYOYGWBDK-LJQANCHMSA-N 369.852 4.136 0 40 FIAB COc1cccc2cc(C(=O)NC[C@H](O)c3csc4ccccc34)oc12 585372829 YTMLZNPBXCZNOT-HNNXBMFYSA-N 367.426 4.120 0 40 FIAB O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Br)o1 915914 LFCOLRFLDSAWPY-UHFFFAOYSA-N 350.090 4.193 0 40 FIAB Cc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc(C)c1C 2623915 AOKGRGZEOYNHBM-UHFFFAOYSA-N 356.278 4.439 0 40 FIAB O=C(Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1cccnc1 2930933 UGNORVLLDHTKSR-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB CCCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc[nH]2)cc1OCC 3279546 VQOQGURQYHGEFE-PKNBQFBNSA-N 371.433 4.032 0 40 FIAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)OCCO3)cs1 3359901 JRCYGTXAPCUQCB-UHFFFAOYSA-N 366.442 4.071 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2c(C)noc2C)c1 3448572 KSINNJSNPXGHAP-UHFFFAOYSA-N 364.401 4.209 0 40 FIAB COc1ccccc1CNc1nc(C)c(C(=O)Nc2ccccc2)s1 3591853 CLPRSBWKBBFXNR-UHFFFAOYSA-N 353.447 4.325 0 40 FIAB CCCCCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 4194678 IGCJISJSZRNTNX-UHFFFAOYSA-N 366.417 4.353 0 40 FIAB CCOc1cccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)c1 4295311 YCOLWIJQJFJPOH-UHFFFAOYSA-N 366.446 4.139 0 40 FIAB CC(C)(CNC(=O)CSc1ccc2ccccc2c1)N1CCCCC1 6843718 WTCUMPPQVYOLAJ-UHFFFAOYSA-N 356.535 4.313 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cc(C)n(C3CC3)c2C)cc1 7575689 SEQNAIQTXZMZQO-HNNXBMFYSA-N 355.434 4.267 0 40 FIAB CN(c1ccc(-c2csc(-c3cccc(F)c3)n2)cc1)S(C)(=O)=O 8209254 NKGSIJWUXLBVDU-UHFFFAOYSA-N 362.451 4.012 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 8326970 PFFVJPAPSKLJMG-UHFFFAOYSA-N 351.402 4.120 0 40 FIAB c1csc([C@@H](CNc2ncnc3sc4c(c23)CCC4)N2CCCC2)c1 8342613 COGQAKNGULDSEP-CQSZACIVSA-N 370.547 4.491 0 40 FIAB O=C1CC[C@]2(C(=O)OCc3ccccc3Cl)Sc3ccccc3N12 8733837 NMLHWCBTTNAQMP-GOSISDBHSA-N 359.834 4.012 0 40 FIAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccccc1Oc1ccccc1 9217266 BUDHZBMLEXYYBT-KRWDZBQOSA-N 361.445 4.296 0 40 FIAB CCCCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1O 11565903 TYFZGFDTIMMYDM-UHFFFAOYSA-N 363.479 4.495 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 12532231 GEYDLUQNJSXMBP-CVEARBPZSA-N 365.502 4.450 0 40 FIAB Cc1nc(N2CCC[C@@H](C)C2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 12653603 HGPQFQNQSNSMIB-ZRPUOBAXSA-N 361.489 4.480 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1F 12884832 MIPCDGYOEIXAMQ-JTQLQIEISA-N 359.401 4.283 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 13685784 LWBNSWRTHITOOZ-MRXNPFEDSA-N 368.477 4.238 0 40 FIAB O=C(NCCCc1ccco1)c1ccc2nc(-n3cccc3)sc2c1 13722786 JMAAZBQCMJIZDF-UHFFFAOYSA-N 351.431 4.043 0 40 FIAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl 14097603 QFSWMVYOEFQEHF-UHFFFAOYSA-N 374.849 4.252 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1N1CCCC1=O 16105664 QEYKMKVCTORXRJ-UHFFFAOYSA-N 374.440 4.230 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2cc(C)ccc2C(C)C)c1 17370458 SZUBGQWYMCCCCO-MRXNPFEDSA-N 371.477 4.392 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 20144291 WBYAVQQVPDYNAY-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB CCc1nn2c(C)c(C(=O)Nc3ccccc3C)nnc2c1-c1ccccc1 20633678 QYDMUYLUSWRDGH-UHFFFAOYSA-N 371.444 4.223 0 40 FIAB O=C(CCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1cccs1 24695143 OFFKWMGMEBPMMN-AWEZNQCLSA-N 368.458 4.258 0 40 FIAB COC(=O)c1cc(NC(=O)CCc2ccccc2Cl)ccc1Cl 26975317 ZGKRMGBVXZCBPR-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)c1 27580666 QSRFTQHQIGFGRK-LJQANCHMSA-N 372.534 4.087 0 40 FIAB O=C(Nc1nonc1-c1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 27990957 WVSXQJMNLJNDOL-UHFFFAOYSA-N 366.764 4.297 0 40 FIAB O=C(Nc1cccc(CNCc2csc(Br)c2)c1)C1CC1 30629176 QZXJAANZMBGMMI-UHFFFAOYSA-N 365.296 4.149 0 40 FIAB COC(=O)c1cnc(NC(=O)c2sc3ccccc3c2Cl)s1 32493835 LGSVSFQFMLBTRP-UHFFFAOYSA-N 352.824 4.050 0 40 FIAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)[C@H]1C[C@H]1c1ccccc1 32610601 JIUNWDOLXSHIIR-IRXDYDNUSA-N 369.827 4.466 0 40 FIAB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)cccc2c1 32905380 UYNOTLKPWBVJQT-UHFFFAOYSA-N 360.866 4.017 0 40 FIAB CCc1ccc2oc(C(=O)Nc3ccc(C)c4ncccc34)cc(=O)c2c1 41157085 HKOVVBGJHFKDDH-UHFFFAOYSA-N 358.397 4.464 0 40 FIAB COC(=O)C[C@H](NC(=O)Nc1cccc2c1CCCC2)c1cccs1 43316771 UUWMZDYFXCMKHL-INIZCTEOSA-N 358.463 4.053 0 40 FIAB CC[C@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1C 44856715 YJDLBQLCRSAIAL-QFIPXVFZSA-N 366.505 4.017 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1)c1ccccn1 47248079 PQCBOLIFWXXIDL-JXFKEZNVSA-N 363.461 4.129 0 40 FIAB c1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)co2)cc1 48253453 DKWBBGIMZMLEAK-IBGZPJMESA-N 362.429 4.450 0 40 FIAB COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1F 52710476 AUVDOYHXLWKCSV-RYUDHWBXSA-N 350.821 4.166 0 40 FIAB CC(C)(C)[C@@H](NC(=O)Nc1nncs1)c1cccc(C(F)(F)F)c1 58316868 BRHQLSOVNRTQAK-NSHDSACASA-N 358.389 4.466 0 40 FIAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)n1c(-c2cccs2)n[nH]c1=S 58458753 GVMPNPKODOFTNS-NSHDSACASA-N 370.503 4.358 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 68198127 RWZXZEONEOKXQS-OAQYLSRUSA-N 360.461 4.111 0 40 FIAB CC[C@H](C)Nc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213522 SGJAZVYCQREVFE-QFBILLFUSA-N 373.522 4.126 0 40 FIAB C[C@H](CNc1ncc(-c2cnccn2)c(-c2ccco2)n1)c1ccccc1 72338703 IMTPPIUJEYFLCJ-OAHLLOKOSA-N 357.417 4.409 0 40 FIAB CC[C@H](C(=O)NCCN1CCC(c2cccs2)CC1)c1ccccc1 77103958 UNIPNGZVBIQWNR-IBGZPJMESA-N 356.535 4.238 0 40 FIAB CS[C@H]1CCC[C@@H](NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 83854307 MZOQUGZPPZSUKI-QUCCMNQESA-N 369.534 4.219 0 40 FIAB C[C@H]1CN(c2ccc(Nc3ncnc4sccc34)cc2F)C[C@@H](C)O1 89936834 NFVZYMGSOVPUOZ-TXEJJXNPSA-N 358.442 4.188 0 40 FIAB CC(C)C(=O)N1[C@@H]2CC[C@@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 100224621 FAIZUUFHJPKPCY-SJLPKXTDSA-N 362.477 4.342 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 219029114 HXADGQVQRJGSKP-QZTJIDSGSA-N 363.457 4.499 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cccc(Cl)c2)c2ccccc12 222619164 DGJRCHAXVXOVRW-GFCCVEGCSA-N 357.793 4.189 0 40 FIAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1O 222660425 SDASVQUPKJLZAI-NIKGAXFTSA-N 369.490 4.165 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 222734747 OWMDBZLCJPRONX-BEFAXECRSA-N 369.461 4.055 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3cccc(Cl)c3)s2)cc1 223297815 SUPQEIAOXUGCOE-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB Cc1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 223481848 JQVKJRUCKKKTCE-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1Cl 224432926 JIJWRFZHSJFYHD-UHFFFAOYSA-N 372.852 4.426 0 40 FIAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 224858473 UTLFHBKNHQPADG-IAGOWNOFSA-N 371.849 4.211 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)ccc21 225111528 WAQSTRKGJJKOBQ-CQSZACIVSA-N 370.474 4.106 0 40 FIAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)nn1 225187731 HIUNCHKZGINPGE-UHFFFAOYSA-N 370.865 4.409 0 40 FIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225604797 YVFIYMVXGXKTDH-GOSISDBHSA-N 357.878 4.288 0 40 FIAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 247826998 JHFLJPDQKPCWLR-YAJHFMINSA-N 355.453 4.045 0 40 FIAB Cc1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408628746 WXGICTNBYMOQJQ-UHFFFAOYSA-N 372.424 4.498 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408707925 MPFXDTGTXNNOML-WWDZGPRUSA-N 356.510 4.069 0 40 FIAB Cc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)cc1C 409170982 XSEWOPUIXBXLTB-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CC1=NN(C(=O)CSCc2ccccc2Cl)[C@@](O)(c2ccccc2)C1 409181954 GYTSPEOIXBYSFP-IBGZPJMESA-N 374.893 4.027 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(C(F)(F)F)cc12 521396089 UZZHBJUKHRVECA-UHFFFAOYSA-N 356.388 4.400 0 40 FIAB CN(C)[C@@H](CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2o1 575622520 ZKKWGAQMJUDNQM-KRWDZBQOSA-N 371.868 4.188 0 40 FIAB FC(F)(F)C1CCC(Cc2nc(-c3cc[nH]c4nccc3-4)no2)CC1 581470821 PZSPPJIPRVYNJB-UHFFFAOYSA-N 350.344 4.476 0 40 FIAB Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)C1(C)CCCCC1)CC2 585110354 JSSKOHGDNPRNNJ-UHFFFAOYSA-N 351.494 4.283 0 40 FIAB C[C@H](CC(F)(F)CN(Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)O 1525713888 QJPUGVDUNLVIJL-CYBMUJFWSA-N 357.397 4.170 0 40 FIAB C[C@H]1CCc2c(sc3ncn([C@@H](C)C(=O)OC4CCCCC4)c(=O)c23)C1 949478 KRHJXDLPNAMSCS-STQMWFEESA-N 374.506 4.020 0 40 FIAB COC(=O)c1cccc(Nc2nc(-c3ccccn3)nc3ccccc23)c1 2249664 ZQGJBMUJPVQNRI-UHFFFAOYSA-N 356.385 4.222 0 40 FIAB CCc1nc2sc3c(N(CC)CC)ncnc3c2c2c1COC(C)(C)C2 2274765 OUCOUKFFJXKYIR-UHFFFAOYSA-N 370.522 4.499 0 40 FIAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc(C)c1C 2756100 RXWXWKFVDHAZOU-UHFFFAOYSA-N 367.854 4.213 0 40 FIAB C[C@H]1SC(SCC(=O)NC2CCCCCC2)=NN1c1ccccc1 3343142 HMMUBGQDMMQEDI-CQSZACIVSA-N 363.552 4.429 0 40 FIAB Cc1ccc(C)c(NC(=O)c2ccc(I)cc2)c1 3426704 MQYVFFDQDASCNH-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CC(=O)[C@H](C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3440893 IJERJRPNKVNKOF-AWEZNQCLSA-N 368.820 4.327 0 40 FIAB COc1ccc(Nc2nnc(SCCOc3ccccc3)s2)cc1 3542300 MQXUKGPRTPLXLG-UHFFFAOYSA-N 359.476 4.461 0 40 FIAB OC1=N[C@H](c2ccco2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 3667911 UKSLYZYXDRYUGK-SFHVURJKSA-N 365.458 4.328 0 40 FIAB aggregator Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2n1 4240468 LYHYMKJCBWDTSJ-JTQLQIEISA-N 358.854 4.106 0 40 FIAB Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccccc1Br 5210114 WMVCISHSCAOWJK-UHFFFAOYSA-N 361.195 4.351 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2c(s1)CCC2 5308722 KQADAFDTBBJDLR-UHFFFAOYSA-N 357.475 4.464 0 40 FIAB COc1ccc(-c2ccc(=O)n(Cc3cccc4ccccc34)n2)cc1OC 5388721 IHONKLRECRKWKH-UHFFFAOYSA-N 372.424 4.129 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C 5834513 XTOLYXKPYLHHQR-XHBSWPGZSA-N 372.292 4.020 0 40 FIAB COc1ccc(OCCSc2nnc(NC3CCCCC3)s2)cc1 6078591 WXPSINGKPAGXSJ-UHFFFAOYSA-N 365.524 4.462 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 6509743 SFICSVYYGCKAFT-UHFFFAOYSA-N 373.408 4.347 0 40 FIAB Cc1cc2sc(NC(=S)NC(=O)c3cccs3)nc2cc1Cl 6826418 BCHCQYAHNHGBHG-UHFFFAOYSA-N 367.908 4.446 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 7382003 PVPHITLFQBHGHF-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 7405265 PFRZVGGSZUVZFO-UHFFFAOYSA-N 372.259 4.342 0 40 FIAB Cc1cc(-c2ccccc2)nc(S[C@@H](C)C(=O)N2CCCCCC2)n1 7417531 NQBBLZUTVUMGEC-INIZCTEOSA-N 355.507 4.335 0 40 FIAB CCOc1c(Br)cc(Br)cc1CN[C@@H](C)CC 8326683 RHWAWKJXXJZHDP-VIFPVBQESA-N 365.109 4.498 0 40 FIAB O=C(CSc1nncn1C1CC1)Nc1ccc(Oc2ccccc2)cc1 8750515 KXYLXFNRLDNIEP-UHFFFAOYSA-N 366.446 4.136 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 9426067 GUDLTGDSTJSFTR-UHFFFAOYSA-N 354.450 4.256 0 40 FIAB CC(C)[C@@H](NC(=O)N(C)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 9791794 AHRGWCNDRLDNCA-HXUWFJFHSA-N 372.440 4.136 0 40 FIAB CCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc1 9913348 AULRVZLOKWHANR-FQEVSTJZSA-N 368.477 4.177 0 40 FIAB CCCCS(=O)(=O)Nc1cc2c(C(=O)OC(C)C)c(C)oc2cc1C 11615895 FKJWNPFFDPYLJY-UHFFFAOYSA-N 367.467 4.157 0 40 FIAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)C1CCCCC1 11695451 HSCDKHDKRVJJFC-UHFFFAOYSA-N 356.245 4.079 0 40 FIAB Fc1ccc(F)c(-c2nnc3sc(-c4cccc(F)c4F)nn23)c1 12410031 XNDQNKUEJXBNTJ-UHFFFAOYSA-N 350.300 4.076 0 40 FIAB COc1cccc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c1 12807560 SFHVHPXEVNCJBV-UHFFFAOYSA-N 359.385 4.393 0 40 FIAB CCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 13018601 OMDALCNILNFISX-QGZVFWFLSA-N 351.450 4.132 0 40 FIAB Cc1ccc(CNC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 13019848 BUYQTNUEPZUMAQ-NRFANRHFSA-N 368.477 4.353 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 14218907 UUOPAABCRDYCKO-UHFFFAOYSA-N 366.461 4.263 0 40 FIAB C[C@H]1Oc2c(C(=O)NCc3ccc(CN4CCCC4)cc3)cccc2[C@H]1C 14252470 CROBDJARIVZMTP-DLBZAZTESA-N 364.489 4.097 0 40 FIAB Cc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c2c(C)nn(C)c2n1 14898977 OTGGQQIUZJETKB-UHFFFAOYSA-N 371.853 4.101 0 40 FIAB Fc1ccc(COc2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 16399586 JIGXWNBXFDBHPQ-UHFFFAOYSA-N 365.404 4.423 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20110274 YXWPPPKVERZGHQ-GOSISDBHSA-N 371.477 4.137 0 40 FIAB OC1=Nc2ccccc2CC[C@H]1Sc1nnc(-c2cccnc2)s1 20726241 CGHDYJWHTCSVFW-CQSZACIVSA-N 354.460 4.295 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1C(F)(F)F 23238121 IKQJXDXBCATJPP-UHFFFAOYSA-N 369.408 4.245 0 40 FIAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)o1 23937981 COKZBVIEVBRHAJ-CQSZACIVSA-N 353.447 4.189 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cccc(OC)c1)O[C@H](C)C2 24018324 SYFDWQQQNYFSKI-MYSGNRETSA-N 353.418 4.069 0 40 FIAB O=C1CCc2cc(C(=O)N(Cc3ccco3)Cc3cccs3)ccc2N1 24461270 ZCBWTZPJUSYSBU-UHFFFAOYSA-N 366.442 4.068 0 40 FIAB O=C(Cc1ccccc1)NC[C@H](c1ccccc1Cl)N1CCCCC1 27663742 KGYNDKDDYGZMKE-HXUWFJFHSA-N 356.897 4.226 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(F)cc2)o1 29675445 FCALZSOHNAWOIB-UHFFFAOYSA-N 367.376 4.063 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(F)cc2)c1 30848763 KBABVZNBQKJKSC-UHFFFAOYSA-N 361.438 4.183 0 40 FIAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N3CCC3)c12 32893617 DGCXMSBIHBBTTG-UHFFFAOYSA-N 361.323 4.063 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 39742633 YUAZBYYRUWCJSX-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB O=C1NCCCC[C@H]1Sc1nc2ccccc2n1CCc1ccccc1 40025131 CZYDFRJSOBPIIG-LJQANCHMSA-N 365.502 4.040 0 40 FIAB COc1ccc(CN(C)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 40103666 HZJNRLRTCFZPQP-UHFFFAOYSA-N 364.829 4.030 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 45123470 MGZYGPLMXGMLSS-LSDHHAIUSA-N 369.465 4.010 0 40 FIAB COc1cc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c(OC)cc1Cl 48234347 NIJMHYVCTJWCHM-IUODEOHRSA-N 370.877 4.074 0 40 FIAB CN(Cc1csc(-c2ccccn2)n1)Cc1nc2ccccc2s1 48276426 NLJDGTKRDXWNDL-UHFFFAOYSA-N 352.488 4.447 0 40 FIAB CCOc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57413684 ZKPUMTPGCQXXBF-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1 58201618 QXIFGOJXLSRTAE-MRXNPFEDSA-N 353.466 4.094 0 40 FIAB O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cccc(CN2CCCC2)c1 65488803 USCJPAXDOSNTJG-IBGZPJMESA-N 370.880 4.189 0 40 FIAB O=C(NCCCC1(C2OCCO2)CCCCCC1)[C@@H]1C[C@@H]1c1ccccc1 75148609 RGKOFLANAACVJC-WOJBJXKFSA-N 371.521 4.400 0 40 FIAB Cc1noc(C)c1C(=O)N1CCCN(Cc2ccccc2)c2ccccc21 78190635 YIYQVFYMDQFYND-UHFFFAOYSA-N 361.445 4.349 0 40 FIAB Cc1ccc([C@H]2CSCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 84148757 MZADUVRXPKIXIK-QGZVFWFLSA-N 370.474 4.088 0 40 FIAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)OC1CCCCCC1 84459269 MONIZCYYYIEHEZ-OAHLLOKOSA-N 353.871 4.409 0 40 FIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c(Cl)c2ccccc2n1C 91080144 ODVPNRCMJDMALW-HNNXBMFYSA-N 356.857 4.149 0 40 FIAB CC(C)c1ocnc1C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 95956665 LUCGBZHURWIOEQ-AWEZNQCLSA-N 355.438 4.065 0 40 FIAB Fc1cccc(-c2ccc3c([C@H]4CCCN4Cc4cccnc4)nnn3c2)c1 96156562 YOKQKSXBODYYBO-HXUWFJFHSA-N 373.435 4.268 0 40 FIAB O=C1Nc2ccccc2/C1=C/c1cn(-c2ccccc2)nc1-c1cccnc1 97990482 FOWDUJFFHGDWRL-MOSHPQCFSA-N 364.408 4.427 0 40 FIAB CCCCn1cc([C@H]2CC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21 100771346 NHJUDGBZTSGBQZ-GOSISDBHSA-N 362.429 4.194 0 40 FIAB biogenic CCCCOC(=O)c1ccc(Nc2c(N)oc(=O)c3ccccc23)cc1 101425869 USYNDBMMFRFCPZ-UHFFFAOYSA-N 352.390 4.076 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 104222557 YYWCSZFRTMIMBU-JTHBVZDNSA-N 366.505 4.346 0 40 FIAB CCOC(=O)c1cn(Cc2ccccc2Cl)c2cc(F)ccc2c1=O 199727971 VPKKLTFNGFKUTQ-UHFFFAOYSA-N 359.784 4.019 0 40 FIAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206669888 RWYRMQCNAUKCEN-OAHLLOKOSA-N 353.397 4.219 0 40 FIAB COc1ccc(C(=O)NCCOc2cccc3ccccc23)cc1Cl 223573426 HCJPTFGUOAELNC-UHFFFAOYSA-N 355.821 4.311 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C 224161445 JDHCJCGWSNZIIJ-UXHICEINSA-N 362.502 4.214 0 40 FIAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(OC)c(C)c1 224334833 XZZYLFWPYNUWPN-OAQYLSRUSA-N 366.505 4.481 0 40 FIAB CCOc1ccccc1CCCNC(=S)Nc1ccc(F)c(F)c1 225396845 KINAOIOGGGVFJU-UHFFFAOYSA-N 350.434 4.283 0 40 FIAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)cc1Cl 225647588 IMWXYKQIYLBCTF-UHFFFAOYSA-N 372.317 4.434 0 40 FIAB Cc1ccccc1[C@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225754941 OWVTUKZVJIKGCZ-HNNXBMFYSA-N 353.491 4.169 0 40 FIAB O=C(Nc1ccccc1)c1snnc1-c1ccc(Br)cc1 225782857 ASWPRSUJUNOLQG-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB COc1cccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)c1 226272199 XHLVKQMBWUDFQQ-UHFFFAOYSA-N 350.296 4.029 0 40 FIAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257320086 VVIDZFUSQMQXJW-KRWDZBQOSA-N 367.474 4.398 0 40 FIAB C[C@@H](CC(=O)Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cccnc1 532696201 VMGUWMAFCIWVJB-INIZCTEOSA-N 362.429 4.499 0 40 FIAB Cc1nsc(C)c1C(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 629620948 GHZNJUXKVSPLSO-UHFFFAOYSA-N 351.834 4.006 0 40 FIAB Cc1ccc2c(C(=O)NC[C@H]3CCN3Cc3ccccc3)csc2c1 1131290415 HXLGKYFEZRBEJW-QGZVFWFLSA-N 350.487 4.214 0 40 FIAB FC1CCN(Cc2cccc(Br)c2Br)CC1 1232762204 WVWZGKNZFDVZPJ-UHFFFAOYSA-N 351.057 4.146 0 40 FIAB O=C(Nc1ccc2nc(C(F)(F)F)oc2c1)c1cnc2ccccc2n1 1529789062 FXAFLWJJHAVHMY-UHFFFAOYSA-N 358.279 4.042 0 40 FIAB COc1ccc2cc(C(=O)N[C@@H]3C[C@@H](OC(C)(C)C)C34CCC4)cnc2c1 1532649818 FUBIGCCBSHIDMJ-RTBURBONSA-N 368.477 4.100 0 40 FIAB O=C(Cc1ccc(F)cc1Br)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008549 LCLDKETUUPXIGA-HOTGVXAUSA-N 364.258 4.375 0 40 FIAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1cccc2c1OCCO2 1889044883 RHUUTEKXSAEEGP-ZDUSSCGKSA-N 353.443 4.034 0 40 FIAB Cc1ccc(OCC(=O)Nc2cccc(Nc3nc(C)cc(C)n3)c2)cc1 11640390 JYKYVDQWOUTHOY-UHFFFAOYSA-N 362.433 4.163 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1N1CCCC1=O 11741273 RWTZCXSVBJTFNV-CQSZACIVSA-N 372.852 4.181 0 40 FIAB CCOc1ccc(C(=O)CSc2nnc(-c3cccs3)n2CC)cc1 2629245 LRULAHNIRMMUBQ-UHFFFAOYSA-N 373.503 4.400 0 40 FIAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)C1CC1 1990607 NJKHSUVVEJBUFM-UHFFFAOYSA-N 359.447 4.339 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NC2CCCCC2)s1 6260752 QCNWARXQTLXZBM-OCCSQVGLSA-N 368.572 4.070 0 40 FIAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 6340435 CVZUSKPUXBMCNX-HXUWFJFHSA-N 362.404 4.326 0 40 FIAB CC(C)C[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 7440333 WUKNRERURBAHFD-IBGZPJMESA-N 365.429 4.075 0 40 FIAB COc1ccc(SCC(=O)NCCSc2ccc(Cl)cc2)cc1 8125437 IKBJKLQSGLDZPU-UHFFFAOYSA-N 367.923 4.349 0 40 FIAB CCCCCC(=O)N1CC[C@@H](CC(=O)NCc2ccccc2)[C@@H](CC)C1 8300193 HUZQACKXMJYQAQ-PMACEKPBSA-N 358.526 4.148 0 40 FIAB biogenic,in-vitro CCOc1ccccc1CCCNC(=O)c1ccccc1Br 10110891 RQMXSQPPMWILAI-UHFFFAOYSA-N 362.267 4.210 0 40 FIAB CC(C)n1c(CN2CCC(O)(c3ccccc3F)CC2)nc2ccccc21 57823223 WLBPEEPLQSELGK-UHFFFAOYSA-N 367.468 4.240 0 40 FIAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 9198020 BEHOEYDIHLSESA-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cnn(-c2ccccc2)c1 12271352 VDIVMOFUHUHJGN-HXUWFJFHSA-N 359.454 4.453 0 40 FIAB CC(C)COC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 952254 ZGAWTQNHGOYRST-UHFFFAOYSA-N 352.386 4.038 0 40 FIAB biogenic CCCc1nc2sc3c(OCC)ncnc3c2c2c1COC(C)(C)C2 1300519 ZWDCHBQCGBXRII-UHFFFAOYSA-N 357.479 4.442 0 40 FIAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717926 JAHOTELJSKUPFG-CQSZACIVSA-N 372.852 4.120 0 40 FIAB O=C1OCCN1c1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 25495541 BGXZONZJHXIVHQ-UHFFFAOYSA-N 374.322 4.349 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCc2nc(-c3cccs3)no2)c1 58278231 CZBVEBFPACDXEA-UHFFFAOYSA-N 365.867 4.103 0 40 FIAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2nc3ccccc3s2)o1 58418992 KORPFCIHRRQNRO-KRWDZBQOSA-N 362.458 4.287 0 40 FIAB O=C1CCCN1c1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 11126608 BZXOGJYGUIHAOT-UHFFFAOYSA-N 374.469 4.035 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 11378747 OEWITRBYHUEUSQ-UHFFFAOYSA-N 357.335 4.031 0 40 FIAB CSc1ccc(Cl)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 36875387 HXJUOPFTSZEXIB-HNNXBMFYSA-N 360.910 4.066 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)cc1 3328821 BXWJGJUSUWGOEL-UHFFFAOYSA-N 362.429 4.328 0 40 FIAB COc1ccc(NC(=O)N(C)Cc2cnc(C)s2)c(C(F)(F)F)c1 48277954 JZXFDUWBLBVQRN-UHFFFAOYSA-N 359.373 4.143 0 40 FIAB O=C(CCN1CCC[C@H]1c1ccsc1)Nc1ccnn1C1CCCC1 48235957 XOKUFQXZCXXERQ-KRWDZBQOSA-N 358.511 4.225 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H](C)C2CC2)cc1 12796962 AMTPTQJNMHECDL-HNNXBMFYSA-N 361.445 4.076 0 40 FIAB O=C(NCc1cccc(NC(=O)C2CCCC2)c1)c1cccc2cccnc12 48374551 UWUBOLNIZWQUKU-UHFFFAOYSA-N 373.456 4.294 0 40 FIAB COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc(OC)c1OC 12879772 CNBLZEZMUJISSF-ZDUSSCGKSA-N 373.474 4.244 0 40 FIAB CC[C@@H](C)NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3461191 QFQXDDRXCOFQJC-CYBMUJFWSA-N 368.458 4.035 0 40 FIAB COC(=O)CCCNc1ncnc2cc(-c3ccc(Cl)cc3)sc12 12984487 WXHPTHPBTLRURJ-UHFFFAOYSA-N 361.854 4.377 0 40 FIAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)NC1CCCCC1 6028905 WLNUVSLCSPTUDG-GFCCVEGCSA-N 370.478 4.147 0 40 FIAB Cc1cccc(-c2nnc3c4cnn(-c5ccccc5Cl)c4ncn23)c1 5204737 FMEJRNPILUWMOX-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1ccccc1CNc1nc(-c2ccc(NC(C)=O)cc2)cs1 14168134 KJQSDSWVKGRVPO-UHFFFAOYSA-N 353.447 4.389 0 40 FIAB Cn1c(-c2cc3cc(Br)ccc3oc2=O)nc2ccccc21 4598695 GVBLTSMAKALFML-UHFFFAOYSA-N 355.191 4.109 0 40 FIAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1Cl 6811322 GTZBDUQXDSVUMU-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB COc1ccccc1-n1c(SC[C@@H]2CCCO2)nnc1-c1cccs1 6975489 PBZGPQXOEDPKGX-ZDUSSCGKSA-N 373.503 4.276 0 40 FIAB Fc1ccc(-c2csc3ncnc(NCCCn4ccnc4)c23)cc1 15206510 LZXBMOCASFSQRR-UHFFFAOYSA-N 353.426 4.196 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2oc3ccc(F)cc3c2C)c1 18204522 GJJRWWAMWNQBHV-GFCCVEGCSA-N 357.381 4.389 0 40 FIAB Cc1ccc(NC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 68337866 YROUYIDRSDVVJM-UHFFFAOYSA-N 358.869 4.130 0 40 FIAB Cc1cccc(Nc2ncccc2S(=O)(=O)Nc2ccc(F)cc2)c1 67245725 IXPWVAGBOGUXRV-UHFFFAOYSA-N 357.410 4.074 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 9366599 UPSOLWOZEMBMIU-UHFFFAOYSA-N 362.832 4.142 0 40 FIAB Cc1nc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)nn1-c1ccc(F)cc1 71924293 XMDMQITUDSNNAT-AWEZNQCLSA-N 374.419 4.359 0 40 FIAB CC(=O)Nc1cc(NC(=O)CCN2c3ccccc3CC[C@H]2C)ccc1C 72301600 ZWJUNGHXUYOJOS-MRXNPFEDSA-N 365.477 4.123 0 40 FIAB C[C@@H](c1cccs1)N(C)C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 84651555 LOYJEAFDROZMDU-KGLIPLIRSA-N 373.478 4.168 0 40 FIAB CC(=O)Nc1ccc(CC(=O)Oc2ccccc2Cc2ccccc2)cc1 25721721 MBXBIPCBNSKIOV-UHFFFAOYSA-N 359.425 4.384 0 40 FIAB COc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 24812759 XIWULHIOUMEWFK-OAQYLSRUSA-N 374.440 4.195 0 40 FIAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2F)cc1 408969537 PSPWVCSPJZWYJK-UHFFFAOYSA-N 366.392 4.004 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@@H](/C=C/c2ccccc2)CC3=O)C1 216104173 RIZLTNBPSMVXHG-LATQFLISSA-N 361.489 4.417 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)COc1ccc(C)cc1 219376618 BFAPSDDVXHTGES-QUCCMNQESA-N 355.478 4.353 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 40111677 WOBSUSDWELZTJA-UHFFFAOYSA-N 353.466 4.105 0 40 FIAB CCOc1cccc(C(=O)NCc2nc(-c3ccc(OC)cc3)cs2)c1 72264952 MPLZISXHTSMGCI-UHFFFAOYSA-N 368.458 4.147 0 40 FIAB CN(CCCCc1ccccc1)C(=O)c1ccc(NC(=O)NC2CC2)cc1 48375279 JTZFNBXZUSLXKI-UHFFFAOYSA-N 365.477 4.065 0 40 FIAB C[C@H]1Cc2cccc3c(=O)c(C(=O)N[C@H](C)c4ccc(Cl)cc4)cn1c23 223097017 OJLHZHMEHKNMDZ-QWHCGFSZSA-N 366.848 4.263 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)COc2cccc(OC)c2)c2ccccc2O1 225370273 XRDYBBYLMDECPT-LJQANCHMSA-N 369.461 4.273 0 40 FIAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224415313 YTWJVCKQQLANJS-RTBURBONSA-N 366.465 4.219 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)cc1C 223556160 VZQAPKUKFLIORN-GOSISDBHSA-N 363.457 4.419 0 40 FIAB O=C(O)c1ccccc1CN1CCC(c2nc3c(s2)CCCC3)CC1 581137238 OIERGDYMWZLJID-UHFFFAOYSA-N 356.491 4.100 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@H]2c2nnn3cc(C4CC4)ccc23)c1 96267861 CVSJDLWQSOGOSR-SFHVURJKSA-N 361.449 4.284 0 40 FIAB O=C(c1ccc(-c2cccs2)cc1)N1C[C@@H]2CNC[C@@H]2c2ccccc21 96157008 SXLZOEUGHZXZSO-HKUYNNGSSA-N 360.482 4.379 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Oc1cc(C)c(Cl)c(C)c1 1208369572 IJWXNPLOCQHSMI-UHFFFAOYSA-N 361.246 4.387 0 40 FIAB C=CC(=O)Nc1ccc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)cc1 1636452561 OKSNGGOBXDWFCG-UHFFFAOYSA-N 360.457 4.357 0 40 FIAB O=C(Cc1cc2ccccc2o1)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 669690048 RSEKMEXOUKWKCX-OAQYLSRUSA-N 369.848 4.147 0 40 FIAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccco1 96119738 BVRSJAGHIZIVOO-UHFFFAOYSA-N 351.387 4.234 0 40 FIAB Brc1cnccc1N1CCC(c2ccc3cccnc3n2)CC1 656214371 PVMBVEYBGFQCDS-UHFFFAOYSA-N 369.266 4.171 0 40 FIAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 5001806 IKUCWOAWGBLVRI-UHFFFAOYSA-N 353.466 4.065 0 40 FIAB COc1ccc(-c2c(C)nn3c(NCc4ccncc4)cc(C)nc23)cc1 12113326 IAWYQMLLMLBWJL-UHFFFAOYSA-N 359.433 4.029 0 40 FIAB COc1ccc(-c2cc3nc(C)cc(N4C[C@@H](C)C[C@@H](C)C4)n3n2)cc1 18128980 YVCQBCJHRUNBFT-GASCZTMLSA-N 350.466 4.196 0 40 FIAB CCc1noc(CC)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 19521344 AUJGIOMJJNWHLO-UHFFFAOYSA-N 359.426 4.238 0 40 FIAB O=C(N1CCS[C@H](c2ccco2)CC1)C1(c2ccccc2)CCOCC1 219401864 NBDYCHROJJVZFD-IBGZPJMESA-N 371.502 4.035 0 40 FIAB O=C(c1ccoc1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 113733580 SEJBNLPUPKPJGY-UHFFFAOYSA-N 357.797 4.003 0 40 FIAB Cc1sc2nc([C@H](C)OC(=O)c3cc4c(s3)CCC4)[nH]c(=O)c2c1C 4274932 ZZMMKVWLRLNKBB-VIFPVBQESA-N 374.487 4.070 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCc1ccncc1)CC2 15447173 MQGXWJNDVZGRDM-XMMPIXPASA-N 374.484 4.289 0 40 FIAB COc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1csc(C)n1 28278351 ONVRBGKJHRFRRS-DYVFJYSZSA-N 374.506 4.348 0 40 FIAB CC(C)CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(O)c4)OCC[C@@]31C2 2037849755 FBRDFYPMLCGWPT-DDRMBWNKSA-N 371.521 4.437 0 40 FIAB COc1ccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 4120609 HCZSQSFPVBSGCG-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc2ccccc2c1 8862621 BUBTWENTEQSRDV-FQEVSTJZSA-N 350.487 4.468 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)CCc3ccccc3)ccc21 9136965 CUVUFGLHYMPRQE-UHFFFAOYSA-N 350.462 4.337 0 40 FIAB CSc1cccc(C(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)c1 1775969386 OGLLQUSZSOKIHY-MRXNPFEDSA-N 356.491 4.043 0 40 FIAB CCOc1ccc(NC(=O)N2CCC[C@H](COc3cccc(C)n3)C2)cc1 1775971868 WDMNSEJVOPGINH-KRWDZBQOSA-N 369.465 4.112 0 40 FIAB CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1OC 8738802 RDWVESCBQDRAAN-UHFFFAOYSA-N 366.417 4.100 0 40 FIAB biogenic Cc1cc(C)n(-c2ccccc2NC(=O)Cc2coc(-c3ccccc3)n2)n1 25014044 GSZLNIFOZJVWEY-UHFFFAOYSA-N 372.428 4.325 0 40 FIAB C[C@H](Nc1ccc(NC(=O)CNC(=O)C2CCCC2)cc1)c1ccccc1 50004850 LUAGKJFRNOECCC-INIZCTEOSA-N 365.477 4.105 0 40 FIAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4cccnc4)cc3)o2)c1 30863924 HBLQBCJKLIOEGG-UHFFFAOYSA-N 370.412 4.037 0 40 FIAB Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 706387 BJCOCXCUBZTMTR-OAQYLSRUSA-N 358.397 4.495 0 40 FIAB Cc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)cc1 894775 BNWKGUQTXOSWFR-UHFFFAOYSA-N 364.474 4.495 0 40 FIAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1Cl 1510952 LXXNWMDHBKNBBA-GOSISDBHSA-N 370.836 4.054 0 40 FIAB CC[C@@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O 2110765 GBOBWLUFIBYMHX-PBHICJAKSA-N 365.477 4.497 0 40 FIAB biogenic COc1cccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)c1 2403565 LAKRUXUMMKVJSU-PMACEKPBSA-N 371.444 4.168 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnoc2-c2ccc(C(F)(F)F)cc2)cc1 2597187 YMMDDBWGKYFMGT-UHFFFAOYSA-N 371.322 4.312 0 40 FIAB COc1ccc(CCNC(=O)COc2ccc(Cl)c3ccccc23)cc1 2648878 UIVYLWXJHIMJQZ-UHFFFAOYSA-N 369.848 4.240 0 40 FIAB COc1ccccc1NC(=O)CSc1nccn1-c1cccc(Cl)c1 2723681 MDEAQILZQCDKGO-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccccc1 2889652 BAXBDRHFBASYDT-UHFFFAOYSA-N 367.426 4.463 0 40 FIAB C[C@@H]1SC(SCC(=O)NC2CCCCCC2)=NN1c1ccccc1 3343140 HMMUBGQDMMQEDI-AWEZNQCLSA-N 363.552 4.429 0 40 FIAB Cc1c(C(=O)C(=O)Nc2cccc(Br)c2)c2ccccc2n1C 4062613 NXOHOSZBWMTJAC-UHFFFAOYSA-N 371.234 4.071 0 40 FIAB Cc1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2)s1 4072437 NIQYUCIWNYCUFI-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCc1c[nH]c2ccccc12 4286500 GLSRAHYSOANRPR-UHFFFAOYSA-N 360.413 4.316 0 40 FIAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4385203 KQHRRMWGPRZDHL-AWEZNQCLSA-N 372.852 4.039 0 40 FIAB COc1ccc(/C=C2/NC(c3ccccc3)=NN(c3ccccc3)C2=O)cc1 4474082 LWLLDQGZHKRERF-LTGZKZEYSA-N 369.424 4.034 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cccn(Cc2ccccc2)c1=O 4940298 DYUJHDUUVXMUME-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 5815504 RVHWYZCEASTBFG-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(F)c(F)c1F 5827054 HBCRPKPWDNXMGV-UHFFFAOYSA-N 371.771 4.364 0 40 FIAB COc1ccc(-c2ccnc(SC[C@@H]3COc4ccccc4O3)n2)cc1 5917823 UFHHDXQMRSVYNS-INIZCTEOSA-N 366.442 4.084 0 40 FIAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1Oc1ccccc1 6351385 NTEZAWCGMJXADJ-MRXNPFEDSA-N 353.418 4.037 0 40 FIAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1F 6461143 GTUQQCSALYBQLJ-UHFFFAOYSA-N 364.376 4.096 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(C)no1 6738089 ZLBLCZSAXKLABO-UHFFFAOYSA-N 356.403 4.141 0 40 FIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 6965717 UBYYSLONYKTYSY-QMTMVMCOSA-N 350.374 4.428 0 40 FIAB COc1ccc(-c2nc(NC(=O)CCc3c(C)noc3C)sc2C)cc1 7471469 RRIGRTZQDDJMGN-UHFFFAOYSA-N 371.462 4.303 0 40 FIAB CC(=O)c1cccc(NC(=O)COc2ccc(Cl)c3cccnc23)c1 7612316 BPWOXKIRVOPIFU-UHFFFAOYSA-N 354.793 4.108 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3)cs2)cc1OC 7751330 HZSWMVRZHMZNAW-ZDUSSCGKSA-N 368.458 4.318 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 8303248 FXMHHWWVRKYCEK-GFCCVEGCSA-N 373.815 4.339 0 40 FIAB COc1ccc(-n2cnnc2SCc2nc3ccccc3s2)cc1 8710526 PIAIACGIQAADHB-UHFFFAOYSA-N 354.460 4.178 0 40 FIAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc2c(c1)OCO2 8904073 FLVUZOLBEVCNJF-UHFFFAOYSA-N 367.401 4.157 0 40 FIAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)cc1Br 9062022 ZPUQPTWDMZIENG-CYBMUJFWSA-N 368.296 4.105 0 40 FIAB Cc1sc2ncn(Cc3noc(-c4ccc(F)cc4)c3C)c(=O)c2c1C 9364212 KZURMEYBXULUHX-UHFFFAOYSA-N 369.421 4.226 0 40 FIAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3sccc3c2)c1 10253432 IKQSNIYTCCXOOM-UHFFFAOYSA-N 359.472 4.336 0 40 FIAB O=C(NC1CC1)[C@@H](Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1 11713547 OOFMUTKFNAKXMN-KRWDZBQOSA-N 364.367 4.060 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1Cl 12030715 RBNOZMMOXQLTTE-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB CCCCN1C(=O)COc2ccc(NC(=O)c3cccc(Cl)c3)cc21 12237508 NFOVPOZZNAJYMN-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB O[C@@H]1c2cc(-c3ccccc3)cnc2Sc2nc(-c3cccs3)nn21 12336918 LIBNGLYNXZPROP-QGZVFWFLSA-N 364.455 4.072 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2nccn2C)o1 12735941 PCXLFGSMNGIGNP-BSMLYZOPSA-N 361.445 4.056 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1cccc(Cl)c1 12803611 PDBGSPRXKGPMLM-UHFFFAOYSA-N 353.853 4.415 0 40 FIAB O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cccs2)cc1 12822679 KREWRIAKJVWANH-UHFFFAOYSA-N 354.406 4.070 0 40 FIAB Cc1ccccc1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12856470 VAGBNHLFFHMGOB-UHFFFAOYSA-N 366.461 4.107 0 40 FIAB COC(=O)c1ccc(OCc2noc(-c3ccc(F)cc3)c2C)c(OC)c1 12995447 YRQBTGAQVWISKV-UHFFFAOYSA-N 371.364 4.163 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 13123796 GYZYDVPKNFGKKC-CYBMUJFWSA-N 370.478 4.101 0 40 FIAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 14254400 PQXJSXFUYXDDPO-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 14397603 FXROSDGFYOVOEB-UHFFFAOYSA-N 362.433 4.008 0 40 FIAB Nc1c(C(=O)NCc2ccco2)sc(=S)n1-c1ccc(Cl)cc1 15015118 DJHNZIBWSWYCBG-UHFFFAOYSA-N 365.867 4.027 0 40 FIAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(-c2ccccc2)on1 15551547 QGDKTPMXICCWPO-UHFFFAOYSA-N 372.211 4.407 0 40 FIAB COc1ccc(CNC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 17129708 SRWOATGRKFLSGJ-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB COc1ccc(NC(=O)CSc2ccccc2)cc1-c1ccc(CO)o1 20151174 MDVFYEHBQAQAQV-UHFFFAOYSA-N 369.442 4.178 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc(Cl)c1C)cn2C 22237194 BNXNAGMZDFZQIJ-UHFFFAOYSA-N 370.836 4.151 0 40 FIAB CCCc1nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2s1 22254802 KEZPMLZQIYAZPS-UHFFFAOYSA-N 370.474 4.447 0 40 FIAB COc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 22502734 LGNPSNVBIXDHTC-UHFFFAOYSA-N 367.449 4.274 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C(=O)OC)cc1 22513382 PUOBTZZCBQJWKH-FQEVSTJZSA-N 363.413 4.423 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Cl 22540268 HRUZGPWNBXDPAF-AWEZNQCLSA-N 367.898 4.313 0 40 FIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1F 23544701 OZNZAUTZBPTQJN-CYBMUJFWSA-N 352.365 4.162 0 40 FIAB Cc1nc2ccccc2nc1SCC(=O)N(C1=CCCCC1)C1CC1 29283172 FVJMAZKUDHYSSH-UHFFFAOYSA-N 353.491 4.479 0 40 FIAB COc1ccc2cc(CNC(=O)[C@H](C)n3cnc4ccccc43)ccc2c1 30573238 QHCAOHSDGSKYIE-HNNXBMFYSA-N 359.429 4.076 0 40 FIAB COc1ccc(CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC 32845013 CLJFDUPWYCANOO-AWEZNQCLSA-N 357.475 4.164 0 40 FIAB CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 32913897 YZYBIFVAICXELL-ZDUSSCGKSA-N 359.857 4.361 0 40 FIAB Cc1nc(-c2ccccc2NC(=O)/C=C/c2ccc(OC(F)F)cc2)no1 32925888 ZHSBJXBSLMUJSL-DHZHZOJOSA-N 371.343 4.298 0 40 FIAB Cc1ccccc1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35290287 NPEMPRFKOJJPTF-UHFFFAOYSA-N 351.475 4.460 0 40 FIAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(COc2ccc(F)cc2)o1 35442774 GIYHCHFROKVMFL-BXWFABGCSA-N 374.456 4.177 0 40 FIAB biogenic,in-vitro Cc1cccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)c1C 36635419 XIQIPZKYIYKACE-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB COc1ccc([C@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1 40017428 BIRXUKCALKNPLR-OAQYLSRUSA-N 355.409 4.065 0 40 FIAB CCC(CC)CN(CC)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 40093478 HAWXGPCVYZQDEF-UHFFFAOYSA-N 369.509 4.021 0 40 FIAB COc1c(C)cc(C(=O)c2ccccc2I)cc1C 43210141 MIHGXOGMMGXKDB-UHFFFAOYSA-N 366.198 4.148 0 40 FIAB O=C(c1cc(Nc2ccc(F)cc2)c2ccccc2n1)N1CCSCC1 44169649 NTRGFIRLECRBFM-UHFFFAOYSA-N 367.449 4.307 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53356969 XYOBAKLQFJGKPP-MRXNPFEDSA-N 355.825 4.202 0 40 FIAB Cc1ccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 57416750 QYFGXLBAOWOBOK-UHFFFAOYSA-N 353.853 4.092 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)CCCC(=O)c2ccc(F)cc2)cc1 58210482 RTFQDCGVKJKCSI-UHFFFAOYSA-N 356.397 4.166 0 40 FIAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 62086972 WPQKHDXPFAPUJE-CABCVRRESA-N 370.415 4.365 0 40 FIAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2CCCC2)cc1 67508821 PRBGVVRMCWBLFH-UHFFFAOYSA-N 364.474 4.053 0 40 FIAB O=C(C1CCC1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349337 SEAVVWCTYBOINT-GOSISDBHSA-N 352.453 4.318 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCC[C@@H](O)c1cccc2ccccc12 77116972 IYUFACWFJITNRV-HXUWFJFHSA-N 369.848 4.112 0 40 FIAB CCOC(=O)c1cc2cc(NCC(=O)N3[C@@H](C)CCC[C@@H]3C)ccc2s1 84798517 IEHQULYCUBMMCY-KBPBESRZSA-N 374.506 4.279 0 40 FIAB C[C@H](CNC(=O)c1cc(Cl)ccc1F)c1nc(-c2ccccc2)no1 89953737 DFWSIFPNCHHQOI-LLVKDONJSA-N 359.788 4.063 0 40 FIAB CN(C(=O)C1(C)CCOCC1)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 95958551 CYXXUQVURNRKDA-INIZCTEOSA-N 370.518 4.195 0 40 FIAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccc(Cl)c(Cl)c2)C1=O 101275552 PBDDBDJVSGFXLD-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 223678371 QBBZOMHREQLSJK-IAGOWNOFSA-N 371.477 4.274 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(F)cc1 223895348 KRBQREXJLZIZGL-MRXNPFEDSA-N 355.453 4.221 0 40 FIAB COCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC 224403327 VHMMWJRMJRZNLI-UHFFFAOYSA-N 361.441 4.361 0 40 FIAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 224944589 RHIAIODNKJNDCR-GFCCVEGCSA-N 359.297 4.037 0 40 FIAB CCNC(=O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)c(N)c1 225437137 LISMVWLJTFDDEC-UHFFFAOYSA-N 359.473 4.225 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2OCC)c1C 225442991 UYPSQYHKJKGRLA-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cccc2ccccc12 225733683 CWSKPESASOKGLS-UHFFFAOYSA-N 362.816 4.447 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 225902295 KXPXDLPUFPXZEO-VQIMIIECSA-N 356.897 4.429 0 40 FIAB COc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1Cl 408700576 IDPMQKQIFYYGHE-UHFFFAOYSA-N 369.870 4.281 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 408705627 KERZXICBEZYWHQ-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Cc1cccs1 408714340 OOWDBAUFHYNABO-UHFFFAOYSA-N 369.490 4.297 0 40 FIAB CCOC(=O)CCCC(=O)c1ccc(Br)cc1C(F)(F)F 575362458 NQWLZKWVWXTUQU-UHFFFAOYSA-N 367.161 4.384 0 40 FIAB CC(C)c1ccc(CCc2nc(N3CCC[C@@H]3C)ncc2C(=O)O)cc1 585268722 QSLTZWANTDSVNH-HNNXBMFYSA-N 353.466 4.072 0 40 FIAB COc1nc(C)ccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 678998996 KRBFVNYMAFIFHE-UHFFFAOYSA-N 367.474 4.028 0 40 FIAB Cc1cc(-c2noc([C@@H](C)N3CCOCC4(CCCC4)C3)n2)ccc1F 681477457 XUYLIFXGPJNRTF-OAHLLOKOSA-N 359.445 4.138 0 40 FIAB CC(C)c1[nH]c2ccc(I)cc2c(=O)c1C(C)C 685938039 APVGUBGTGASHIQ-UHFFFAOYSA-N 355.219 4.380 0 40 FIAB Brc1ccc2nc(N3CC[C@@H](c4ccccn4)C3)sc2c1 2298092168 BAAPRDSHRYYFNV-LLVKDONJSA-N 360.280 4.448 0 40 FIAB CC(C)C(=O)N[C@@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl 833048 SWLMOECQHBGGSD-CQSZACIVSA-N 360.672 4.115 0 40 FIAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1Cl 873427 ZVOVJKLVWIDEBX-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC3CC3)c2c1 1367474 SVPRNDQKPKAHDH-UHFFFAOYSA-N 363.486 4.230 0 40 FIAB CCN(CCO)[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 1665687 FCPMTNGZZNNVQK-QZTJIDSGSA-N 354.277 4.082 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 2655415 JLQMPJANVKYZHR-GFCCVEGCSA-N 360.841 4.231 0 40 FIAB O=C(OCc1c(Cl)nc2sccn12)c1cc2c(s1)CCCC2 3250195 DOTUIJMEQQTINN-UHFFFAOYSA-N 352.868 4.347 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)c1 3272442 HGZLGOOTVCQUBK-UHFFFAOYSA-N 364.540 4.328 0 40 FIAB O=S(=O)(Nc1ccccc1F)c1cc(C(F)(F)F)ccc1Cl 3368427 BHMKUXAWXHFXGR-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)cc1 3554801 JYQKIVMBBXHHJR-UHFFFAOYSA-N 353.340 4.291 0 40 FIAB CSc1cccc(-n2cc(-c3ccc(Br)cc3)[nH]c2=O)c1 3909691 ACYIWQRDJJCGIT-UHFFFAOYSA-N 361.264 4.317 0 40 FIAB Cc1cc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c(C)n1C1CC1 4286861 VRXOJFXBYMTLDN-UHFFFAOYSA-N 364.445 4.280 0 40 FIAB CCOC(=O)c1ccc(N2C(=N)S/C(=C\c3ccc(F)cc3)C2=O)cc1 4473357 NZDZSQZHMHPMQO-SKCGTWTRSA-N 370.405 4.058 0 40 FIAB CCCC(=O)OCCC[C@@H](CC[C@H](C)OC(=O)CCC)OC(=O)CCC 4684118 CBYWYTIHGQZVDT-IRXDYDNUSA-N 372.502 4.334 0 40 FIAB COc1ccc(NC(=O)COc2cccc(Cl)c2Cl)c(OC)c1 4808867 LTAMDQYESCTGFW-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)NCc4cccs4)sc3nc2c1 4848811 NQTCJKBHYBCNPK-UHFFFAOYSA-N 369.471 4.032 0 40 FIAB Cc1cccc(Cn2cccc(C(=O)Nc3ccc(Cl)cc3)c2=O)c1 5269633 NYVKAWITDIFNQC-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCC1=CCCCC1 5554932 PULWHGZIFPMBBJ-YLJYHZDGSA-N 370.518 4.042 0 40 FIAB Cc1ccc(-c2nc(Cn3ncc(Cl)c(Cl)c3=O)cs2)cc1 6541276 YULNTAACRMMMPZ-UHFFFAOYSA-N 352.246 4.030 0 40 FIAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccccc2C)cc1 6630417 AJWIMIGEGNABDE-UHFFFAOYSA-N 374.440 4.414 0 40 FIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCC1=CCCCC1 6640566 LSPBTVCJUWAPIL-UHFFFAOYSA-N 363.457 4.303 0 40 FIAB COc1c(C)cnc(-c2sc(NC(=O)c3ccccc3)nc2C)c1C 6677844 HHAOQAFMBKTPGQ-UHFFFAOYSA-N 353.447 4.391 0 40 FIAB O=C(Nc1nc(-c2ccncc2)cs1)c1cnc(Cl)c(Cl)c1 6830936 QECDKMDPTNDAMR-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB CC(=O)c1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1 7401435 DXKQVGKJYOBBNY-UHFFFAOYSA-N 355.390 4.300 0 40 FIAB CCOC(=O)c1ccc2c(c1)nc(COc1cc(C)cc(C)c1)n2CC 8653957 ZNZPQDVPZXYDFA-UHFFFAOYSA-N 352.434 4.429 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC)cc3)ccc21 9136638 QPHQVDKYNSNXOB-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1 9232738 VWBOMYKUJWRFCU-QGZVFWFLSA-N 368.477 4.114 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1nc2ccccc2s1 9996068 IBSRUWXJWQMNJK-AWEZNQCLSA-N 352.415 4.002 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1ccccc1)N(C)C 10328078 UWNQPVIODPTADZ-FQEVSTJZSA-N 362.473 4.271 0 40 FIAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cnn(C)c3)on2)cc1 12228042 VTZHLPNVSLZTKL-HXUWFJFHSA-N 366.465 4.201 0 40 FIAB O=c1[nH]c(CSc2nccn2-c2cccc(Cl)c2)nc2ccccc12 12530830 OVFRFYAZLBPPKM-UHFFFAOYSA-N 368.849 4.055 0 40 FIAB C[C@H](NCc1ccccc1CN1CCCC1)c1nnc(-c2ccccc2)o1 12739486 IYIVUMUMOKOSKF-KRWDZBQOSA-N 362.477 4.183 0 40 FIAB O=C(c1cc2ccccc2cc1O)N1CCN(C/C=C/c2ccccc2)CC1 12753654 VORCALHABLCNQR-RMKNXTFCSA-N 372.468 4.017 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1nc2ccc(F)cc2s1 14250308 BDIBXKLABHRUKQ-UHFFFAOYSA-N 374.422 4.118 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC 15008167 JDAZLWLNARSGLA-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OC 15608886 DWPRKIWSHPGUNX-GFCCVEGCSA-N 360.841 4.129 0 40 FIAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 17042123 LVHRYYBUZITATE-UHFFFAOYSA-N 374.469 4.436 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c1 17073224 FPRBQOMCSWDKCZ-UHFFFAOYSA-N 353.491 4.030 0 40 FIAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)c(C)c1 17301945 KFUPOKWBBZVYMT-UHFFFAOYSA-N 366.442 4.337 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccccc2)cc1 18156013 NLJKGDSCMPEHND-UHFFFAOYSA-N 361.397 4.480 0 40 FIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)Nc1cccc2ncccc12 19598333 MUCYMDFSLXFOSN-VOTSOKGWSA-N 366.804 4.311 0 40 FIAB CCCN(CC)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(C)=O)CC2)C1 19712765 XULZMZVGLHEXAT-SFTDATJTSA-N 358.526 4.020 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C 19943241 QDDLJCHPBOHLEX-IYBDPMFKSA-N 353.528 4.231 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc2ccccc2c1 20139111 MWSXUPUUSOWGFS-UHFFFAOYSA-N 355.777 4.452 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC 20489797 BJOLKXPVSRXJRN-OLZOCXBDSA-N 363.841 4.002 0 40 FIAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccccc1Cl 22073042 HHQIUBVWQLZPEC-UHFFFAOYSA-N 367.836 4.417 0 40 FIAB CCn1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c(=O)c2ccccc21 22234564 QWZDMDVNIKXWLG-AWEZNQCLSA-N 366.486 4.234 0 40 FIAB COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccccc2)cc1OC 22551525 UDXBWYGBIUHWNZ-SFHVURJKSA-N 367.445 4.030 0 40 FIAB O=C(CCc1ccco1)N1CCc2[nH]c3ccc(Br)cc3c2C1 25550838 LXWBFUWROYTNHL-UHFFFAOYSA-N 373.250 4.041 0 40 FIAB COc1ccc(C[C@H](NC(=O)C[C@H]2C=CCC2)c2ccc(OC)cc2)cc1 25919518 UUKOIUFNSMGDEZ-JTSKRJEESA-N 365.473 4.460 0 40 FIAB F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(-c2cn3c(n2)CCC3)cc1 26506867 GJXWGLQJMVDGQL-CYBMUJFWSA-N 350.262 4.368 0 40 FIAB Cc1cccc2c(=O)cc(C(=O)Nc3ccccc3Br)oc12 27995170 CPLWIGRNLIEPBS-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 29747657 CJAOKHQEBDVGKO-QWXSXLCJSA-N 354.490 4.330 0 40 FIAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N3CCC(C)CC3)c(N)c12 32117818 DHYKBRIXQVBVRO-UHFFFAOYSA-N 357.401 4.078 0 40 FIAB COc1ccccc1CCNC(=O)N(C)Cc1ccccc1C(F)(F)F 40068739 DVMWPRCVIQXIGH-UHFFFAOYSA-N 366.383 4.098 0 40 FIAB O=C(Nc1ccc(Br)cc1Br)NC1CCCC1 40098254 PACNFNQLLSJCBJ-UHFFFAOYSA-N 362.065 4.276 0 40 FIAB Fc1cc(F)cc(CN(CCCn2ccnc2)Cc2ccccc2F)c1 43277839 DRWLTSFATOYHME-UHFFFAOYSA-N 359.395 4.393 0 40 FIAB O=C(NCCCc1ccccc1)c1ccc(CN2CCCCCC2)cc1 44909326 BUTKTALSBFPMMA-UHFFFAOYSA-N 350.506 4.425 0 40 FIAB CCOC(=O)N1CCC(O[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 45331679 IGEIRAKLLHYWTQ-LJQANCHMSA-N 374.868 4.462 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 45581832 FTDWLHICBQUZGU-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078629 AULVZFYEOHXMGZ-MRXNPFEDSA-N 350.462 4.116 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cn2cccn2)cc1 59325334 WZYIGXGUTZCWOV-UHFFFAOYSA-N 369.852 4.381 0 40 FIAB COc1ccccc1-c1nnc(CNc2ccc(C)cc2Br)o1 62650602 PHTZZRBINXBJRV-UHFFFAOYSA-N 374.238 4.428 0 40 FIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCCCC[C@@H]1c1ccncc1 67830547 OKAZOSWHEAENLU-HXUWFJFHSA-N 358.445 4.296 0 40 FIAB CC[C@H]1C[C@H](C)CN1C(=O)/C=C/c1cc(Br)ccc1OC 72305541 DCOUPGZGMSDIRM-XYZMPQSBSA-N 352.272 4.118 0 40 FIAB COc1ccc2c(CC(=O)NC(C)(C)c3ccc(F)c(F)c3)coc2c1 75106205 XVKODELFZQMAPR-UHFFFAOYSA-N 359.372 4.314 0 40 FIAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(c2cccs2)CC1 75157189 PGXNSOARCXPFJX-UHFFFAOYSA-N 369.465 4.308 0 40 FIAB CCOc1cc(CN[C@H]2CCCC[C@H]2O)ccc1OCc1ccccc1 78761232 SXFBUBQJVWAWSR-VQTJNVASSA-N 355.478 4.057 0 40 FIAB Cc1cccc(C2(C(=O)N[C@H](C)[C@@H](O)c3cccc(F)c3)CCCC2)c1 89669200 BBNGQKFLOSEOHM-OXQOHEQNSA-N 355.453 4.184 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1n[nH]c2cccc(F)c12 89851350 RYESYGOSSNFAPC-UHFFFAOYSA-N 352.394 4.007 0 40 FIAB CCc1cc2c(OC3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1 95944190 UGQVLGFEQPRMFG-UHFFFAOYSA-N 363.483 4.032 0 40 FIAB CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1ccc2c(c1)OCO2 100676461 ZNQAGGBFPMMRCQ-UHFFFAOYSA-N 365.385 4.236 0 40 FIAB Cc1nn2c(O)cc(COc3ccccn3)nc2c1-c1ccc(Cl)cc1 100733086 DBUPWALSWCMWPW-UHFFFAOYSA-N 366.808 4.038 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)C[C@@H](c2ccccc2O)C1 102607497 XFJVJPAREWWFOH-VLIAUNLRSA-N 358.401 4.049 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 223457747 RWNYAPVJEAKKSY-CQSZACIVSA-N 351.368 4.406 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(C)(C)Cc1ccccc1 224044198 LWISFNGIOAKMAR-KRWDZBQOSA-N 351.490 4.470 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1Cl 224161163 BKTNHXWGEKNIBP-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)[nH]1 224449914 CJSSYFGPPFANSM-ROUUACIJSA-N 352.438 4.034 0 40 FIAB COc1ccccc1NC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225184003 IVUFLLLSWYAKDX-UHFFFAOYSA-N 357.435 4.297 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225387996 VKZQNTVILAFAHF-JKSUJKDBSA-N 353.462 4.219 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 225876781 LNFMTJGAQFJKGD-VIFPVBQESA-N 357.888 4.100 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCC(C)CC2)c(C)c1 226253054 MPVIFCUQYMDEDG-UHFFFAOYSA-N 367.493 4.139 0 40 FIAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 257335381 YJXMFZHLFIBCAH-IBGZPJMESA-N 357.457 4.472 0 40 FIAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(C(C)C)cc1 408574418 QLYDRGKSWUHXFT-UHFFFAOYSA-N 370.503 4.250 0 40 FIAB COc1cccc(Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c1 408604049 GYVWQJQHLLXEOY-UHFFFAOYSA-N 363.369 4.469 0 40 FIAB Cc1ncccc1OC[C@@H]1CCCN1C(=O)c1cccc(C(F)F)c1F 529495762 MCQJXYFVEQWKHP-ZDUSSCGKSA-N 364.367 4.150 0 40 FIAB COc1ccc2nc(C(F)(F)F)nc(N(C)[C@@H](C)c3ccccn3)c2c1 585083281 MHSUAJHODAFMHU-NSHDSACASA-N 362.355 4.250 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 849768 KJTBQRFIHKICQG-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCc1nnc(NC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)s1 923673 MCINUFYZWQSALC-UHFFFAOYSA-N 372.519 4.305 0 40 FIAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccco1 2448082 CEBNAPLGJQSUMI-UHFFFAOYSA-N 350.241 4.130 0 40 FIAB O=C(Nc1ccc(Cl)cc1)NC1(C(F)(F)F)Oc2ccccc2O1 2725247 QGBNNMYCWSCTEI-UHFFFAOYSA-N 358.703 4.149 0 40 FIAB COc1cc2c(cc1NC(=O)CN1CCC(C)CC1)oc1ccccc12 3304133 LNPOCPFEOCLGCA-UHFFFAOYSA-N 352.434 4.265 0 40 FIAB Cc1ccc(CSC2=NCCN2C(=O)Cc2ccc(Cl)cc2)cc1 4120407 OHCDDNACFAOAHT-UHFFFAOYSA-N 358.894 4.323 0 40 FIAB Cc1ccc2c3c(c(SCC(=O)Nc4cc(C)on4)nc2c1)CCCC3 4859072 YYRPFJKAKLDKRD-UHFFFAOYSA-N 367.474 4.449 0 40 FIAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 4863074 WHYKFLXIHKKUGJ-IBGZPJMESA-N 367.880 4.305 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccccc2Cl)NC(=O)N1 5753763 VJNOOYNQYVGCLJ-SFHVURJKSA-N 369.852 4.223 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 6597414 QLRBAZWMDGMXIG-UHFFFAOYSA-N 360.498 4.281 0 40 FIAB COc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC 6848840 FDENSXLZRCEUJD-UHFFFAOYSA-N 363.413 4.426 0 40 FIAB Cc1nc(Cc2nnc(SCc3cc(-c4ccccc4)on3)o2)cs1 7022032 JNCAUKGJQJMEPT-UHFFFAOYSA-N 370.459 4.373 0 40 FIAB COc1ccccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 7885311 RTXVISKONRWWJO-HXUWFJFHSA-N 371.433 4.180 0 40 FIAB Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 7929292 MQKWYZDSJLFAFV-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB Cc1ccc2c(CSc3nnc(C4CC4)n3C3CC3)cc(=O)oc2c1 7978083 VIYXIAJBWNBSQT-UHFFFAOYSA-N 353.447 4.198 0 40 FIAB COc1ccc(CN(C(=O)/C=C/c2cc(C)ccc2OC)C2CC2)cc1 8165073 ZKVQKVFZRBXUBN-NTUHNPAUSA-N 351.446 4.217 0 40 FIAB Cc1ccccc1CCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 8226303 NKHNFEIDMAHNIZ-UHFFFAOYSA-N 362.477 4.171 0 40 FIAB Cc1cc(Cl)c(C)c(S(=O)(=O)N[C@@H](C)c2ccncc2)c1Cl 8457303 GQDGQWOWFLWYRO-NSHDSACASA-N 359.278 4.045 0 40 FIAB CCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnn1-c1ccccn1 8715243 LPIPCGAINYUFIC-UHFFFAOYSA-N 360.339 4.101 0 40 FIAB CSc1ccc(CN(C)Cn2nc(-c3cccnc3)oc2=S)cc1 8748758 YTRUMTNKDXYAAY-UHFFFAOYSA-N 358.492 4.079 0 40 FIAB O=C(CCCc1nc2ccccc2s1)NCC1(c2ccccc2)CC1 8981850 ZKIFFJURJXJXEG-UHFFFAOYSA-N 350.487 4.467 0 40 FIAB Fc1ccccc1OCCCN1CCN(c2nsc3ccccc23)CC1 8991703 SMDJZYZKGJFZEO-UHFFFAOYSA-N 371.481 4.027 0 40 FIAB COc1ccc(-c2nnc3sc(CCCc4ccccc4)nn23)cc1 9227252 IPFCXIZCTBIXRE-UHFFFAOYSA-N 350.447 4.037 0 40 FIAB COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 9356270 SGSCAQCLMSYBAH-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)cc1 9425667 LTRJPOOUONDLDR-UHFFFAOYSA-N 374.824 4.275 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1F 10282379 KLZLWVSWASILPD-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1csnn1 11914407 KTHJFFMIXVNXKN-UHFFFAOYSA-N 373.459 4.004 0 40 FIAB CCOCCCNc1c2c(nc3c(-c4cccs4)c(C)nn13)CCC2 12113395 YQPQSZICTCIPMG-UHFFFAOYSA-N 356.495 4.093 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12116161 SRUBYNALCADRCR-HXUWFJFHSA-N 358.445 4.341 0 40 FIAB CCCn1c(CN(Cc2sccc2C)C[C@H](C)O)nc2ccccc21 12147041 IMCBPMCODOTUOV-INIZCTEOSA-N 357.523 4.199 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)c2c(c1)OCO2 12569604 FOHYRPPDOSYWHX-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB O=C(c1ccccc1Br)N1CCC[C@H]1c1nc2ccccc2[nH]1 12602444 IYADMXPXCUYLFG-INIZCTEOSA-N 370.250 4.303 0 40 FIAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1F 12772306 GJSGERRNVOZAEL-OAHLLOKOSA-N 358.432 4.442 0 40 FIAB Cc1ccc([C@H](NC(=O)COc2ccc(F)cc2)c2cccs2)cc1 12870160 JQIMDPMVVFLDAH-FQEVSTJZSA-N 355.434 4.480 0 40 FIAB CC[C@@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 14632505 WJMBJZGTUSCZQK-COXVUDFISA-N 363.454 4.042 0 40 FIAB Brc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1 15952639 OGOAZVBHHQKMPK-UHFFFAOYSA-N 358.284 4.300 0 40 FIAB COc1cc(NC(=O)[C@H](C)Sc2ccccc2Cl)cc(OC)c1 16481683 KYFNCEAYYALDGV-NSHDSACASA-N 351.855 4.477 0 40 FIAB CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCCO3)c(O)cc1O 18130553 BFBCHLVNXAHMHP-UHFFFAOYSA-N 366.417 4.269 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18247026 SPWCGBXUJYRIPO-HDICACEKSA-N 357.450 4.242 0 40 FIAB CCN1C[C@@H](CN(C)C(=S)Nc2c(C)cccc2C)Oc2ccccc21 18943569 KKYXGCBMYRPWKE-QGZVFWFLSA-N 369.534 4.220 0 40 FIAB COc1cccc(CN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)c1 19217853 YSGQRHKLFNVSIN-UHFFFAOYSA-N 369.490 4.495 0 40 FIAB COc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)c(OC)c1 19552531 XDPYASIYLAYJJT-INIZCTEOSA-N 360.504 4.295 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc2nc(C(F)(F)F)sc2c1 20426892 WLWUSAKYIKEUCG-UHFFFAOYSA-N 366.320 4.296 0 40 FIAB COc1ccc(SCC(=O)N[C@@H](C)c2ccc(C)cc2C)cc1OC 20494683 KOHZMGJIHQMCDJ-HNNXBMFYSA-N 359.491 4.290 0 40 FIAB CCc1cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)sc1C 22832127 UVBJARLTHRMIEM-UHFFFAOYSA-N 351.475 4.425 0 40 FIAB OCCn1c(-c2ccc(OC(F)F)cc2)cs/c1=N\c1ccccc1 22855680 LYUQDEXFPQXBQF-UZYVYHOESA-N 362.401 4.043 0 40 FIAB CCCc1ccc([C@H](NC(=O)CN2CCSC2=O)c2cccs2)cc1 24223055 JQRFEWQPWNFENI-SFHVURJKSA-N 374.531 4.075 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2cccc(C)c2)c1 24343599 VRICYKKERLILEH-OAHLLOKOSA-N 359.491 4.123 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2ccncc2)cs1 25380066 QEOOWORNVUUYLE-AWEZNQCLSA-N 367.474 4.024 0 40 FIAB CC(C)c1ccc(-c2csc(NC(=O)/C=C/c3cnn(C)c3)n2)cc1 25511359 OFGQJLUFOYAQPP-RUDMXATFSA-N 352.463 4.319 0 40 FIAB Cc1ccc(C)c(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2cnn3C)c1 27666468 ORQFJAMIKSSKNH-GJZGRUSLSA-N 364.497 4.206 0 40 FIAB Cc1csc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)n1 27983255 LJLOCRHNQLLBBZ-UHFFFAOYSA-N 354.431 4.365 0 40 FIAB O=C(c1cc(Cl)cc(Cl)c1)N1CCCN(Cc2cccs2)CC1 28037926 SFGCFEWXNCGUTP-UHFFFAOYSA-N 369.317 4.403 0 40 FIAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(Br)cc1 28303664 FBCLCFDEOACYRH-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCO[C@H](c2ccccc2)C1 29535544 YIDJDLLIAAIPRT-FQEVSTJZSA-N 367.880 4.408 0 40 FIAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cnn(C)c1 32604172 FKMHXAKEOKQSSZ-UHFFFAOYSA-N 368.293 4.298 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1 32764373 GYAXUYCPKVQPHJ-OAHLLOKOSA-N 354.450 4.068 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)OCc2ccccc2OC(F)F)c1 32906848 ARWFEQWQZXXPCE-JXMROGBWSA-N 364.344 4.062 0 40 FIAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 36621032 PSLPAYPXVWFUMO-OAQYLSRUSA-N 355.503 4.400 0 40 FIAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 40069770 OYKSIWXPMRRCTB-GXFFZTMASA-N 363.244 4.001 0 40 FIAB O=C(CCc1ccc(Cl)s1)NC1CCN(Cc2ccccc2)CC1 44466202 NAYFGAKQUXKZHE-UHFFFAOYSA-N 362.926 4.115 0 40 FIAB COc1ccc(CN2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 49169391 VPYZMFPGHVZNOR-INIZCTEOSA-N 369.852 4.388 0 40 FIAB biogenic,in-vitro COc1ccc(-c2nc(N)cc(Nc3ccc(C)c(C)c3)n2)cc1OC 49468142 IIJUBGFUSZJZQW-UHFFFAOYSA-N 350.422 4.103 0 40 FIAB O=C(c1cc(F)ccc1F)C1CCN(Cc2nc3ccccc3o2)CC1 51857540 CMUNOOPQWHPICC-UHFFFAOYSA-N 356.372 4.201 0 40 FIAB NC(=S)c1ccc(C(=O)N2CC=C(c3cccc4ccccc34)CC2)cc1 58250502 BRVSODCFWQFGNZ-UHFFFAOYSA-N 372.493 4.404 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)NC1CCN(Cc2ccccc2F)CC1 58553576 ZXPORGOMDBKBAL-UHFFFAOYSA-N 365.452 4.010 0 40 FIAB CC(C)c1nccn1CC1CCN(C(=O)c2ccc3ncsc3c2)CC1 62129970 UOYFFXTWPPISRH-UHFFFAOYSA-N 368.506 4.169 0 40 FIAB CCOc1cc(F)ccc1NC(=O)c1nc(C)n(-c2ccccc2Cl)n1 63937328 TXDXSHBKDBVXFA-UHFFFAOYSA-N 374.803 4.019 0 40 FIAB COc1nc(C(=O)Nc2cccc(Cl)c2N(C)C)cc2ccccc12 65551866 DJAJEMXKFKWVJG-UHFFFAOYSA-N 355.825 4.215 0 40 FIAB Cc1noc(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71282645 LOZDBKSQNLRPKC-CQSZACIVSA-N 358.442 4.190 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)=O)cn1 72214971 FTWRVIKJYRRYOK-KRWDZBQOSA-N 361.486 4.307 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)=O)cn1 72215104 BDURIXRWWIAIFS-YOEHRIQHSA-N 361.486 4.305 0 40 FIAB Cc1ccc(Oc2ccc(C(=O)NCc3nc4ccccc4n3C)o2)cc1 72264850 BZQNAHGWGQUSER-UHFFFAOYSA-N 361.401 4.197 0 40 FIAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72378653 WFSFZQVNUCOASK-IBGZPJMESA-N 365.456 4.262 0 40 FIAB CC(=O)c1cccc(NC(=O)NC[C@H](C)c2nc3ccccc3s2)c1 84638430 DPCUUFOAFPHICZ-LBPRGKRZSA-N 353.447 4.424 0 40 FIAB O[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)Cc2ccccc21 95467609 XYPLALSQHLXQPM-NRFANRHFSA-N 368.440 4.136 0 40 FIAB CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccccc3F)c2C1 96013477 WAVMVMSQKOPJND-AWEZNQCLSA-N 362.470 4.131 0 40 FIAB Cc1ccccc1-c1nc(C)c(CNC(=O)Cc2ccccc2F)s1 96024519 LSHLRDHTJGPDNN-UHFFFAOYSA-N 354.450 4.425 0 40 FIAB Cc1ccccc1Cc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 98086585 VVDNIRAFZFXXKA-UHFFFAOYSA-N 357.866 4.272 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(S[C@@H]3CCc4ccccc4C3=O)nnc12 100477043 IIGBRGNTEUXQLW-ZSDSOXJFSA-N 365.502 4.336 0 40 FIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]2C(=O)O 100519315 KNOYMEAZPBUJMH-UGQVUOCMSA-N 365.351 4.113 0 40 FIAB CC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)c(C)c1 219215858 MYEXHNSCPJIKIX-HXUWFJFHSA-N 350.462 4.311 0 40 FIAB O=C(c1cc(-c2cccnc2)on1)N1CCS[C@H](c2cccs2)CC1 219514664 MECYGAYPERWKFI-KRWDZBQOSA-N 371.487 4.119 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(C)c1 224233534 TXAIPKIAAIFXBL-UHFFFAOYSA-N 372.468 4.415 0 40 FIAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)C(C)C 225762341 RGCOGBMFPXWYJO-IBGZPJMESA-N 369.534 4.381 0 40 FIAB CN(Cc1cccn1-c1ccccc1)C(=O)c1ccc2[nH]c(Cl)nc2c1 225984653 QSXLNCBHRFCECI-UHFFFAOYSA-N 364.836 4.279 0 40 FIAB Cn1cc(CN2CCCC[C@H]2c2ccc(-c3cccc(F)c3)nc2)cn1 257223584 DXZYXANADAZCIX-NRFANRHFSA-N 350.441 4.348 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5ncccc5c4)OCC[C@@]31C2 257239231 HONJHBOKIKKNNN-XLQGDHTPSA-N 364.489 4.253 0 40 FIAB COCCC(=O)N[C@]1(C)C[C@H](c2ccccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257260294 LCFBUJYPZBDDOZ-PZBVGEIHSA-N 363.473 4.003 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 408679853 LZSYXEQSLAHELP-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB O[C@H](CSc1ncnc2sccc12)Cc1ccccc1C(F)(F)F 533551188 XOAVSYLJSMNKMG-NSHDSACASA-N 370.421 4.406 0 40 FIAB COc1ccc2cc(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)C34CCC4)cnc2c1 1532649817 FUBIGCCBSHIDMJ-RBUKOAKNSA-N 368.477 4.100 0 40 FIAB Cc1cccc(OCc2nnc(SCc3nc4ccccc4o3)o2)c1 32557369 IPMCKTFZRNBILB-UHFFFAOYSA-N 353.403 4.391 0 40 FIAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccncc1 823300 APJBFNDIMATACJ-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB CC[C@@H]1c2ccsc2CCN1CCS(=O)(=O)c1ccc(Cl)cc1 32764745 SEBQRXNJJIPSQL-MRXNPFEDSA-N 369.939 4.185 0 40 FIAB O=C(CCSc1nc(C2CCCC2)n[nH]1)Nc1ccc(Cl)cc1F 32883967 DYHRNESJRKSRGE-UHFFFAOYSA-N 368.865 4.376 0 40 FIAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@H](C1)N2CC(C)C 4886485 HNPUALMQCXXDTF-AYHJJNSGSA-N 359.514 4.248 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3C)o2)cc1 4927453 OVBUWSMWQYUAEM-CYBMUJFWSA-N 354.431 4.417 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)C[C@@H](OC(C)=O)C[C@H]12 4946315 QLFBIUISXGEBLE-YOESJJQFSA-N 356.462 4.400 0 40 FIAB CCCC(=O)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12 6203103 QQFPXWIJTDJZTQ-UHFFFAOYSA-N 360.457 4.209 0 40 FIAB COc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(OC)c1 6952594 DCOWWPILBCWYRP-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2ccc(C(C)C)cc2)c1C 7981846 BZVONQHURXAWAC-DHZHZOJOSA-N 367.445 4.397 0 40 FIAB COc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)nc2c1 100936308 APCIDJUGXVOSGS-KRYHZZBUSA-N 374.506 4.422 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1 10684236 DFFXJUBOHLKZCH-OXQOHEQNSA-N 368.477 4.319 0 40 FIAB CCn1c(SCc2cc(OC)c(OC)cc2C)nnc1-c1ccco1 8918800 WEYRRFVZABZCRA-UHFFFAOYSA-N 359.451 4.176 0 40 FIAB Cc1nn2c(nc(NC[C@@H](C)Cn3ccnc3C)c3ccccc32)c1Cl 47253411 LBUGPXFENFNWHI-GFCCVEGCSA-N 368.872 4.097 0 40 FIAB CC(=O)N[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c(C)cccc21 100485545 ANKYPKJYZCZTEN-MRXNPFEDSA-N 363.244 4.026 0 40 FIAB CCc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nccn1C 9938138 UZAQCLOUQUUJEW-UHFFFAOYSA-N 355.507 4.303 0 40 FIAB CN(Cn1ncn(-c2ccccc2)c1=S)[C@@H]1CCCc2ccccc21 23610963 ZPFFSBAGRGZARO-LJQANCHMSA-N 350.491 4.370 0 40 FIAB S=c1scnn1CN1CCc2sccc2[C@H]1c1cccs1 24574735 RMINZXMBPJTNPD-ZDUSSCGKSA-N 351.547 4.402 0 40 FIAB Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1CN(C)C 24830413 KWAPNNIZHODKJX-UHFFFAOYSA-N 374.912 4.185 0 40 FIAB COc1ccc2cc([C@@H](C)C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2c1 24990021 JBCRTGUZVWUNNV-OAHLLOKOSA-N 368.521 4.377 0 40 FIAB Cc1nc(C)c(C(=O)NCC(C)(c2ccccc2)c2ccccc2)s1 25514569 OAYQIBJWGPTZMR-UHFFFAOYSA-N 350.487 4.496 0 40 FIAB CC[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 3235594 XBVZAIMXHDAVHV-INIZCTEOSA-N 365.351 4.381 0 40 FIAB O=C(CN1CCc2ccccc2C1)Nc1ccccc1Oc1ccccc1 3233835 WQABCKUBORPQPN-UHFFFAOYSA-N 358.441 4.476 0 40 FIAB CCCNc1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 26617141 SFTUGJWXDHHDEN-CYBMUJFWSA-N 364.540 4.405 0 40 FIAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(/C=C/c2ccccn2)c1 7977018 KCQZOCRBCWPMAQ-RJRNSMGGSA-N 370.408 4.492 0 40 FIAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)c(OC)c1 12622278 MGKOMACIIRYBFO-UHFFFAOYSA-N 356.809 4.466 0 40 FIAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(-c2ccccc2)[nH]n1 12602808 YZSDXMDBYYAAEA-OAHLLOKOSA-N 353.422 4.183 0 40 FIAB O=C(Nc1ccc(OCc2cccs2)cc1)c1cc2c(cc1O)OCO2 58184357 ZAGTXPBZTITZEO-UHFFFAOYSA-N 369.398 4.014 0 40 FIAB Cn1c(C[C@@H](NC(=O)C[C@@H]2C=CCC2)c2ccccc2)nc2ccccc21 12604277 CXGSNDSEQQIFAP-YLJYHZDGSA-N 359.473 4.330 0 40 FIAB CCCCOc1ccc(S(=O)(=O)NCc2cccs2)c(C)c1C 27823742 KBZKXYDTNCAVSL-UHFFFAOYSA-N 353.509 4.022 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3cnccn3)n2)c(C)n1CCC(C)C 10880170 AWSPLZCJOWNDHB-UHFFFAOYSA-N 369.494 4.317 0 40 FIAB CCc1cc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C)oc2cc1OC 28629466 GIHVIFCBXGPCNU-UHFFFAOYSA-N 356.374 4.027 0 40 FIAB CCn1ccc(CN(C)c2nc(-c3ccccc3)cc(C(F)(F)F)n2)n1 36613546 BXSZCBNZYIYNKR-UHFFFAOYSA-N 361.371 4.015 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 29277978 AGMFZRXBDZFSSM-UHFFFAOYSA-N 372.222 4.100 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2SCC(N)=O)cc1 12749438 GOCIEHFXZSZLQZ-FMIVXFBMSA-N 354.475 4.039 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12754535 YNWCWBFVNSZZDB-UHFFFAOYSA-N 350.462 4.426 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)CCNC(=O)c1ccccc1Cl 12807636 RLPIBHLEKQEXGV-INIZCTEOSA-N 372.896 4.287 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1C 12976790 VHFLSBZEFVWDAS-QIBUPLRFSA-N 374.569 4.040 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1C(F)(F)F)C(=O)O 4241121 VJBNWHRFTFEEAZ-KRWDZBQOSA-N 373.371 4.102 0 40 FIAB Cc1cccc(-c2nnc([C@H](C)N(C)Cc3ccc4c(c3)OCCO4)o2)c1 49967763 RQKQUBRTXQAHMJ-HNNXBMFYSA-N 365.433 4.009 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)COc1ccc(Cl)cc1Cc1ccccc1 8324280 FJRUHOVZVQKLAG-UHFFFAOYSA-N 369.852 4.288 0 40 FIAB COc1ccccc1-c1nc(CNc2ccc(Cl)cc2C(N)=O)cs1 65567936 BBFZFPAGTPHAET-UHFFFAOYSA-N 373.865 4.183 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCc1ccccc1F 14182714 CZGZBQOQSHFZBD-UHFFFAOYSA-N 372.421 4.013 0 40 FIAB COCc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2cccc(F)c12 5403297 CFGPXLAPIUHVBO-UHFFFAOYSA-N 359.378 4.168 0 40 FIAB Cc1cc(C(=O)CSc2nncn2C(C)C)c(C)n1Cc1ccccc1 5417383 FPXHSHBZMOQQBJ-UHFFFAOYSA-N 368.506 4.301 0 40 FIAB CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 8497214 BNFXFTDWFZNGDD-QGZVFWFLSA-N 372.515 4.385 0 40 FIAB O=C1OC(c2ccccc2)=N/C1=C\NN(c1ccccc1)c1ccccc1 4824109 YJFHUILSDHSLQM-SILNSSARSA-N 355.397 4.174 0 40 FIAB CN(C)C(=O)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccccc1 6978517 AEPXPYWDIZOTRD-HNNXBMFYSA-N 370.503 4.203 0 40 FIAB O=C(CN1CCc2ccccc21)Nc1ccc2c(c1)OC1(CCCCC1)O2 7114368 YKTWERXPGUPWAO-UHFFFAOYSA-N 364.445 4.119 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)/C=C/c1nc2ccccc2o1 7156872 BEFOCDUFGNLIAS-GCZGRYASSA-N 374.396 4.445 0 40 FIAB Cc1[nH]c(S[C@@H](C)C(=O)NCc2ccccc2)nc1Cc1ccccc1 8719816 CBGBBIUDKBQPOE-INIZCTEOSA-N 365.502 4.106 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)C)cc2)cc1 8869586 FTCRNMIKQYSJSE-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB CC(=O)c1cccc(O[C@@H](C)C(=O)NC2(Cc3ccccc3)CCCC2)c1 96013968 PXDVTZMNPBPNGV-SFHVURJKSA-N 365.473 4.328 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C1(C)C 84213313 XWQAUUUIXIFMIN-APWZRJJASA-N 354.494 4.408 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccncc2)o1 9691569 SSQNCOPAIHZUQP-LBPRGKRZSA-N 364.430 4.285 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cn2cc(Cl)ccc2n1 9717806 NDLNYUCJTZKSAU-UHFFFAOYSA-N 367.792 4.308 0 40 FIAB CCCN1CCC(NC(=O)Nc2ccc(OCC)cc2C(F)(F)F)CC1 97595727 XOYNDWKTSMQTDK-UHFFFAOYSA-N 373.419 4.100 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@H]1C[C@@H]1c1ccccc1F 95347430 NYXCCWCJDBZEPG-OLZOCXBDSA-N 361.800 4.383 0 40 FIAB Cc1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(C)n1C1CCCCC1 95423317 MYISKFYYPGHLQT-PGRDOPGGSA-N 358.526 4.377 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)cc1 32610768 RQSJFOHTZZRJIP-VIFPVBQESA-N 373.762 4.266 0 40 FIAB COc1cccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1 409125355 LXHVXSNBIYAUPZ-NBVRZTHBSA-N 353.443 4.364 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccc(C)cc1 219610898 QCBZXBLDWIEJGW-DNVCBOLYSA-N 361.869 4.390 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 216188758 BCWBJXZIKLIVCW-QZTJIDSGSA-N 366.505 4.418 0 40 FIAB S=C(NC[C@H]1COc2ccccc2O1)Nc1ccc(Cl)c(Cl)c1 35586138 MTJOUBKYWFQFAP-NSHDSACASA-N 369.273 4.120 0 40 FIAB Cc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 31422948 QWKFMGZUXNRPOF-YSVLISHTSA-N 373.522 4.219 0 40 FIAB COc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4Cl)C3)n2)cc1 72369917 GRTWBYWJLCFBMD-MRXNPFEDSA-N 369.852 4.388 0 40 FIAB Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc(F)cc3)n2)nc1 72377410 INVXMPFRCKWCSO-IBGZPJMESA-N 363.440 4.400 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1ccccc1C(C)C 223789595 FQRAUUBVMAUBCH-IBGZPJMESA-N 355.478 4.471 0 40 FIAB O=C(CSCc1ccccc1F)Nc1nnc(-c2ccccc2)s1 224740332 GFLZXFNXQYKERF-UHFFFAOYSA-N 359.451 4.216 0 40 FIAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223475283 DGFUIQYDQAGWEZ-NRFANRHFSA-N 370.468 4.222 0 40 FIAB COC[C@@H](C)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225192067 MGXVZJCRRRUQCJ-LLVKDONJSA-N 367.927 4.208 0 40 FIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225745384 WHRICHBPJYCKGH-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 225255753 LDSCKQSOACWWEK-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 226268158 BPCZFZQRKWPSHQ-UHFFFAOYSA-N 353.466 4.299 0 40 FIAB O=C(NCc1ccccc1Cl)c1snnc1-c1ccc(Cl)cc1 225768904 CUEFYEQYKOZQEG-UHFFFAOYSA-N 364.257 4.442 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2CC)cc1 224420417 PLQHXLPXBWMTET-KRWDZBQOSA-N 355.478 4.164 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC 40913204 QIMRUOOUPVVXDP-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB Fc1cccc(Cn2cnc(CN[C@H]3CCc4cc(F)c(Cl)cc43)n2)c1 527890698 CWLMGRDJIHBWGT-SFHVURJKSA-N 374.822 4.035 0 40 FIAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)c(I)c1 225008703 BYQQJQWEYVYKNV-GFCCVEGCSA-N 365.214 4.091 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc2sncc2c1 223012305 VARKMYFUQHBYIK-UHFFFAOYSA-N 362.476 4.229 0 40 FIAB O=C(c1cc(-c2ccnn2C2CCCC2)n2ccccc12)N1CCCCO1 96037929 ITDMRYVHIXRWJH-UHFFFAOYSA-N 364.449 4.086 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2cccc3ncccc23)CC1 257201269 AGYXVHYNLWWUHP-SFHVURJKSA-N 366.505 4.223 0 40 FIAB CC(C)(C)N1CCc2nc(NC(=O)c3cscc3Cl)sc2C1 633490224 SNLMUBYKLOORMK-UHFFFAOYSA-N 355.916 4.267 0 40 FIAB Cc1nnc(CN(C)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)s1 666890568 UZZYCMWIVRWSCA-UHFFFAOYSA-N 372.416 4.350 0 40 FIAB CC1(C)c2ccccc2CCN1C(=O)c1csc(Nc2ccccn2)n1 678656335 PSRJQUZITOJOCJ-UHFFFAOYSA-N 364.474 4.215 0 40 FIAB O=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1ccc(Cl)s1 390831475 SBUWWYSZNWEZSB-UHFFFAOYSA-N 373.908 4.244 0 40 FIAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCc5ccc[nH]5)(C4)C2)C3)cc1 673682724 KCJUFGCOSGZXQB-TWVWUCKLSA-N 364.489 4.178 0 40 FIAB CCOc1ccc(C2=Nc3ccc(F)cc3C(c3ccncc3)=NN2)cc1 5444496 OWLDHMCECVJXIE-UHFFFAOYSA-N 360.392 4.053 0 40 FIAB O=C(NC1CCCC1)c1cc(C2CCN(CC3CCCCC3)CC2)no1 19292197 ZJTRARXPSGAYGN-UHFFFAOYSA-N 359.514 4.107 0 40 FIAB CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC3CCCCC3)CC[C@H]21 19499191 UREVCKHAKRCXEG-YPAWHYETSA-N 372.528 4.432 0 40 FIAB CC1CCN([C@@H](CNC(=O)N(C)Cc2ccccc2)c2cccs2)CC1 26522090 WPSCCGZZKVGOMA-IBGZPJMESA-N 371.550 4.363 0 40 FIAB O=C(Nc1nnc(-c2ccncc2)o1)c1ccc(Oc2ccccc2)cc1 4265076 XDGMCUYLLYODLT-UHFFFAOYSA-N 358.357 4.176 0 40 FIAB COc1ccc(C2=C[C@@H](c3cccc(Cl)c3)n3ncnc3N2)cc1OC 101513303 OIZVCYXKYUAEDM-INIZCTEOSA-N 368.824 4.005 0 40 FIAB CC(C)C(=O)N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 973344 JXTDDEJCCDPIGB-LLVKDONJSA-N 367.685 4.388 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)/C(=C/c1ccccc1)c1ccccc1 1130409 CEZSDJGMZFCHNV-DEDYPNTBSA-N 357.409 4.272 0 40 FIAB COc1ccc(C(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1 2230329 WIYAOEIXPOZJRR-UHFFFAOYSA-N 361.426 4.180 0 40 FIAB Cc1cccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn23)c1 2421160 GCCTUBCSGVZTBH-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cccc(F)c2)c1 2723102 STVFCPKLNJXJAX-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c(C)c1 3348091 BMZUVTKFVHYAFH-UHFFFAOYSA-N 364.445 4.208 0 40 FIAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1C(F)(F)F 3360240 YLJIVVSBKAHUTJ-UHFFFAOYSA-N 373.714 4.105 0 40 FIAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O 3462501 CGGIVFHTTOOIGE-GOSISDBHSA-N 362.351 4.063 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1ncnc2sc3c(c12)CCC3 3495308 PSSADOPBGXVUMR-RYUDHWBXSA-N 361.536 4.062 0 40 FIAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl 3552937 PHDCMBOEVDOPDI-QFYYESIMSA-N 352.217 4.011 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccccc1Cl 4120276 UAUKPTHQTMXAHK-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB Cc1cccc(-c2nc(CCNC(=O)c3ccc(F)c(F)c3)cs2)c1 4570816 CUFMADIQNYOBRL-UHFFFAOYSA-N 358.413 4.369 0 40 FIAB CCOc1ccc(-c2nnc(NC(=O)Nc3ccc(OC)cc3)s2)cc1 4599708 DNPBRVWHVFFYBU-UHFFFAOYSA-N 370.434 4.256 0 40 FIAB CC1CCN(C(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)CC1 5147259 UIQIIHPXFXECLK-UHFFFAOYSA-N 357.454 4.003 0 40 FIAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(C)cc1)C[C@H](c1ccccc1)N2 5344992 BXNNXZZJJMGKNJ-QZTJIDSGSA-N 361.449 4.081 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 5451225 YKLNBEFFGRUSHC-LLVKDONJSA-N 374.343 4.034 0 40 FIAB Nc1ccc2nc(CCCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1 6445410 JZJCDJFLYHENMS-UHFFFAOYSA-N 362.481 4.339 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(-c3ccccc3)cc1)OCO2 6905790 XSGGZDSJLORQNY-UHFFFAOYSA-N 373.408 4.466 0 40 FIAB COc1cc(C)c(CSCC(=O)N2c3ccccc3C[C@H]2C)cc1OC 7150441 PGZVFJQKSBRGOM-OAHLLOKOSA-N 371.502 4.223 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2F)N1C1CC1 7886143 IMQXOFAUIUESES-MRXNPFEDSA-N 361.214 4.317 0 40 FIAB CN(Cc1ccc(F)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 8110956 AKHOWOKEMTVIRV-UHFFFAOYSA-N 369.469 4.040 0 40 FIAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(F)cc1 8429690 MXIXYSZIESRUFN-GOSISDBHSA-N 370.449 4.099 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc2ccccc2n1 8754175 LDJJACBYSSIFTC-UHFFFAOYSA-N 354.793 4.302 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NCCCc2ccc(F)cc2)CC1 9062547 RFKJSYDUVPSHJX-UHFFFAOYSA-N 368.496 4.095 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccccc2C)c1 10444111 IQRMJOGPIYYATL-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB CCc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10446030 RIUJHLDFBKDHKU-UHFFFAOYSA-N 364.489 4.059 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)c1 10749842 UGIHCVQJTLZSSX-QGZVFWFLSA-N 365.477 4.178 0 40 FIAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)c2cccs2)C1 12221105 ATFYOBXYDYSHRQ-MRXNPFEDSA-N 364.474 4.044 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cn1 12522980 XQTUCETXDWOKGF-UHFFFAOYSA-N 359.838 4.048 0 40 FIAB Cc1c(C(=O)N[C@H](c2ccccc2)c2nccn2C)oc2ccc(F)cc12 12578747 DIDFFMKKNCXSJV-GOSISDBHSA-N 363.392 4.133 0 40 FIAB C[C@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 13013129 JMWFJUHQBWYJAY-HNNXBMFYSA-N 371.864 4.182 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)N(C)c3ccccc3)cs2)cc1 14681053 JFTYOHVWYGBIHJ-UHFFFAOYSA-N 352.459 4.236 0 40 FIAB CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 15240126 XAPSNYLSUGRKQO-IJZRVPMXSA-N 373.537 4.386 0 40 FIAB CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 15364374 NLNIYJJDHZALLU-CQSZACIVSA-N 363.426 4.443 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)C3=Cc4ccccc4OC3)s2)cs1 15616261 LHGFDMIZRANICK-UHFFFAOYSA-N 368.483 4.272 0 40 FIAB Cc1cc2nc([C@@H]3CCN(Cc4ccccc4)C3)cc(C(F)(F)F)n2n1 19129113 QCZMLHBEXBICMJ-OAHLLOKOSA-N 360.383 4.046 0 40 FIAB CCc1sc(NC(=O)CCc2ccncc2)nc1-c1ccc(OC)cc1 19521611 YCINAFAFTZOYSH-UHFFFAOYSA-N 367.474 4.347 0 40 FIAB CCN(C(=O)C1CCCCC1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 19711790 KXILHVIIEOXEBH-FCHUYYIVSA-N 372.553 4.397 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(SC)cc3)[nH]c2c1 21829546 HLBCIGYLLRCRMS-NSHDSACASA-N 373.503 4.413 0 40 FIAB O=C(CSCc1ccccc1F)Nc1ccccc1Br 23410936 YJTIQHNLWHSPOL-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](c1ccccc1)C1CC1 24027467 SSGJTAFVDJZFQF-FYYLOGMGSA-N 360.457 4.218 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Sc1ccc(C)cc1 24268831 QFDYBMOPDGNBKZ-HNNXBMFYSA-N 358.459 4.430 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2c(F)cccc2s1 24802460 ZVPXANQDCLWLPI-UHFFFAOYSA-N 370.449 4.368 0 40 FIAB COc1cc(CN[C@@H]2CCCc3ccccc32)cc(OC)c1OC(F)F 25259802 OWCSKKVTSYORBU-MRXNPFEDSA-N 363.404 4.472 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(Cn2ccnc2)c1 25263752 GUSAWBREVHFESJ-UHFFFAOYSA-N 360.244 4.419 0 40 FIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)CCCC2 25275772 IAPFHFYDDROFGL-UHFFFAOYSA-N 371.462 4.322 0 40 FIAB COc1ccc2ccc(OC(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)cc2c1 25905583 BHZCCWSHBROLDL-GOSISDBHSA-N 365.360 4.019 0 40 FIAB FC(F)(F)c1cnc(NCCNc2nc3ccccc3o2)c(Cl)c1 26723102 AGAPCLSYPQIHMH-UHFFFAOYSA-N 356.735 4.419 0 40 FIAB COc1ccc(CN(C)C(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 28203014 WUJDYRDWWRKHFK-HNNXBMFYSA-N 359.491 4.151 0 40 FIAB Fc1ccc([C@H]2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1 29528001 FZOKZWWWCKPFED-CQSZACIVSA-N 360.738 4.471 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(C)c1)O[C@@H](C)C2 32870489 WOAYPRORUBQHCX-GJZGRUSLSA-N 354.450 4.156 0 40 FIAB CCc1ccc([C@H](C)NC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 32924139 WZRYUTQTPYLTFS-INIZCTEOSA-N 363.461 4.499 0 40 FIAB O=C(c1ccc(F)cc1Cl)N1CCC(c2nnc(C3CC3)s2)CC1 36705329 XNXFVUPBJYPCEA-UHFFFAOYSA-N 365.861 4.228 0 40 FIAB CNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(C)cc1 39404199 JECCKSKRWZRKHV-UHFFFAOYSA-N 362.838 4.178 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)s1 39989147 PCGYDICUBOQIRT-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44904487 XRCMPJWIQIIMHQ-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB CC[C@H](NC(=O)NC1CCN(CC(C)C)CC1)c1cccc(Cl)c1 45463018 PKNXQKYNIVLAEB-SFHVURJKSA-N 351.922 4.211 0 40 FIAB CCCOc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1OC 48503879 AZTQTKZMXKZLES-HNNXBMFYSA-N 366.461 4.385 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2nsnc2c1 57315681 BRBFCMABDNFGKK-LLVKDONJSA-N 370.503 4.332 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57412557 QDVLXMQUDZKFAB-UHFFFAOYSA-N 369.808 4.159 0 40 FIAB C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(NC(N)=O)cc1 58210456 UKOGSDVCYUIZAT-SNVBAGLBSA-N 366.343 4.079 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cn1 60399194 GFUKXKGFFZIJCJ-KRWDZBQOSA-N 367.449 4.087 0 40 FIAB CC(C)(C)n1ncc(NCCc2ccccc2C(F)(F)F)c(Cl)c1=O 64538357 PQMRTYIXFKSRHL-UHFFFAOYSA-N 373.806 4.325 0 40 FIAB Cc1cc(C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](C)C2CC2)n(C)n1 71817383 NHYVZROYOOFPNU-GFCCVEGCSA-N 351.372 4.193 0 40 FIAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCCCN2C(=O)C(C)C)n1 72383676 GWILRAVSESNHLI-CQSZACIVSA-N 359.499 4.003 0 40 FIAB Fc1cccc(Cl)c1CNc1cc(-c2ccncc2)nc2ccnn12 72419224 QZUZESCPNWWQGK-UHFFFAOYSA-N 353.788 4.196 0 40 FIAB Cc1cc(C(=O)OCC(=O)N2CCC[C@H]2c2cccs2)c(C)n1C1CC1 84079558 FUOQMMPLXVRVKH-KRWDZBQOSA-N 372.490 4.022 0 40 FIAB Fc1ccc(Cc2noc([C@@H]3CC(c4ccc(Cl)s4)=NO3)n2)cc1 84404876 DBNBOTVBQBRWGZ-LBPRGKRZSA-N 363.801 4.380 0 40 FIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100424264 JRPIYSNNDFPNJZ-JFNYDKOCSA-N 359.558 4.050 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102233956 CHITUUTUOMFTAP-BHPKHCPMSA-N 360.523 4.127 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(F)cc2)cc1OCC 104870884 HDVCAKIMXPYWTM-HNNXBMFYSA-N 359.441 4.433 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220696487 XNXUZHHHHQGGIP-ZDUSSCGKSA-N 361.417 4.065 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222854810 GODPVQSGMSFMGU-JKSUJKDBSA-N 361.869 4.308 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc(C)c(Cl)c1 224169406 DMIZQAUSVSFOTG-QGZVFWFLSA-N 365.832 4.140 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Cl)cc1 225785419 XBWLKULVJIXCAJ-GFCCVEGCSA-N 350.871 4.103 0 40 FIAB CC[C@@H](C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257277592 NYPCAILIQQCCLV-QGZVFWFLSA-N 352.478 4.003 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NC(=S)NCc3ccco3)o2)cc1Cl 408628762 XFBJGOHZIPHDKQ-UHFFFAOYSA-N 374.849 4.306 0 40 FIAB Cc1ccc(-c2nn(CC(=O)N[C@@H](C)c3ccccc3)c(=S)o2)cc1 409162445 FAUYJCAERHNPTE-AWEZNQCLSA-N 353.447 4.058 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2C)c(OC)c1OC 409410341 VKURRDQAIVZSOK-PKNBQFBNSA-N 361.825 4.326 0 40 FIAB Cn1ccc([C@@H]2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1 575617157 ZUVVSPFVBYXEPN-OAQYLSRUSA-N 373.500 4.348 0 40 FIAB CCc1ccc(-c2nc(C)c(C(=O)N3CC[C@@]4(CCCOC4)C3)s2)cc1 585081152 DHMAGPTZRACAHZ-NRFANRHFSA-N 370.518 4.324 0 40 FIAB CCC[C@H](NC(=O)N1C[C@@H](C)[C@@](C)(CO)C1)c1cccc(C(F)(F)F)c1 663936332 RRNWVAHAEAXLFF-RPVQJOFSSA-N 372.431 4.207 0 40 FIAB Cc1nc(-c2ccccc2NC(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cs1 666971921 KPYVNYPFJIQKAJ-HNNXBMFYSA-N 372.538 4.360 0 40 FIAB CCc1[nH]nc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)c1C 1116250699 MIFMFCURBYBNSD-UHFFFAOYSA-N 371.444 4.386 0 40 FIAB CCc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 1192820610 ATBHQAGZGMLABX-UHFFFAOYSA-N 360.262 4.365 0 40 FIAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(Cl)s1 46293934 WPHLGYOUTCPXOK-LBPRGKRZSA-N 362.882 4.015 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)NCc3ccc(C)cc3)nc2c1 2631371 DLJVZAZFEXPFMZ-UHFFFAOYSA-N 366.486 4.269 0 40 FIAB CCn1c(COc2ccccc2OC)nnc1SCc1ccccc1 908168 DXRCEINBJZZDMF-UHFFFAOYSA-N 355.463 4.178 0 40 FIAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccn1 4931601 LLZAZNOXOQHQFT-UHFFFAOYSA-N 363.392 4.191 0 40 FIAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccccc1Cl 6423077 PZFBJRYZGVBHJK-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)c(C)c1 6426019 WBPUGHNQTWLKSN-UHFFFAOYSA-N 355.488 4.348 0 40 FIAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)cc2)cc1 11914171 AYIHFWUSVSOVLQ-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3ccccc3)C2=O)cc1C 7575808 TXADJOPVMXJIPV-XMMPIXPASA-N 370.452 4.299 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(C(=O)O)cc2Cl)cc1Cl 7604156 FBHXDIDKMLFCRW-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB Cc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 102831756 JAEFIHCCNDLHRL-XSYNCLLFSA-N 370.884 4.174 0 40 FIAB O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@@H]2c2cccs2)CC1 22131788 SGIGDDWLXVLECQ-OAHLLOKOSA-N 374.531 4.026 0 40 FIAB Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)s2)c2cccnc12 41758026 AABCFOQVIMONII-LLVKDONJSA-N 373.865 4.074 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 103582387 GPUICRRGZWEEKW-SFHVURJKSA-N 355.825 4.427 0 40 FIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ccccc1 22551732 RWLQZKMYVLVSPO-GOSISDBHSA-N 365.408 4.172 0 40 FIAB Cc1cc2nnc(SCC(=O)Nc3cccc(F)c3)n2c2ccccc12 912377 NIWZPJVPXXIQCM-UHFFFAOYSA-N 366.421 4.061 0 40 FIAB Cc1ccc(CN(C)C(=O)c2sc(NC(=O)C3CC3)cc2C)c(C)c1 25774403 NPELXDMYEISIOR-UHFFFAOYSA-N 356.491 4.294 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 26864365 HDSWAJUESNOFGO-CYBMUJFWSA-N 366.845 4.015 0 40 FIAB COc1cc(CNCc2c(OC)ccc3ccccc23)cc(OC)c1OC 57801373 QNPIAJJVMNQZFQ-UHFFFAOYSA-N 367.445 4.164 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)C1(C)C 27131861 LAMACCXDIMSJRB-IPELMVKDSA-N 352.482 4.025 0 40 FIAB Cc1nc(CNC(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)cs1 58249120 DJMWTXNHMKQAMY-UHFFFAOYSA-N 354.479 4.022 0 40 FIAB C[C@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)N1CCCC1 12623814 XJGKAXNILAAAIU-JTQLQIEISA-N 368.915 4.038 0 40 FIAB CSCC[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 2284720 UIKKKKQGEITCOP-INIZCTEOSA-N 359.882 4.441 0 40 FIAB C[C@H](OC(=O)c1ccco1)C(=O)N(Cc1ccccc1)Cc1ccccc1 10668941 YLSNOQNYQRVPJT-KRWDZBQOSA-N 363.413 4.054 0 40 FIAB COc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22245314 YYKVTBMGINZVLB-UHFFFAOYSA-N 353.447 4.480 0 40 FIAB CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](O)c1ccccc1 2319899 MLFXDCMKDYVWBM-MYYSRTQBSA-N 366.222 4.013 0 40 FIAB Cc1cccc(Cc2cnc(NC(=O)[C@@H]3COc4ccccc4C3)s2)c1 11689953 JCHBMDSFBGFRQY-KRWDZBQOSA-N 364.470 4.232 0 40 FIAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 12982509 DSPWFJYHTNWDDM-SNVBAGLBSA-N 361.410 4.075 0 40 FIAB CC(=O)c1c[nH]c(C(=O)N(CCc2cccs2)Cc2cccs2)c1 12919981 DDEDTJNNZDPCDJ-UHFFFAOYSA-N 358.488 4.225 0 40 FIAB COc1cc([C@@H](C)NCc2csc(C)n2)ccc1OCc1ccncc1 48746848 GNCHRPVSZLEWQM-CQSZACIVSA-N 369.490 4.285 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1 21596430 YMVFODLFOSIDQM-UHFFFAOYSA-N 352.381 4.395 0 40 FIAB CSc1ccccc1NC(=O)COC(=O)CCCOc1ccc(C)cc1 4244329 UQWDCEPXIXRVTI-UHFFFAOYSA-N 373.474 4.058 0 40 FIAB c1ccc(-n2c(SCc3nnc(-c4ccco4)o3)nnc2C2CC2)cc1 6128464 NVCXJFPTQHKDBO-UHFFFAOYSA-N 365.418 4.080 0 40 FIAB CC(C)(C)C1CCC(C(=O)N2CCC(c3nnc4ccccn34)CC2)CC1 39983232 ZVIBSYJWWWOALG-UHFFFAOYSA-N 368.525 4.288 0 40 FIAB CCOc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1OC 14201809 RUACCNXJYQVMPQ-UHFFFAOYSA-N 369.446 4.173 0 40 FIAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 4816530 VPGIUGGPHWTHEZ-WOJBJXKFSA-N 360.461 4.372 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1OC 20458575 IXUGBMCXOZMFOV-UONOGXRCSA-N 357.475 4.162 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(F)cc2Cl)c1C 7553924 DHKLCRBNAKBEDI-NSHDSACASA-N 365.788 4.055 0 40 FIAB CCCOc1cccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 9192264 RISUAJPEFVGLCK-UHFFFAOYSA-N 374.868 4.218 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@@H]2COc3ccccc3O2)c2cccs2)cc1 7740077 APQRIJQKYFOQTH-AZUAARDMSA-N 365.454 4.102 0 40 FIAB CCCCNc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)s1 7737905 KFBKROWIKHMXLI-UHFFFAOYSA-N 364.540 4.406 0 40 FIAB O=C(NCCCOC1CCCCC1)c1csc(-c2ccsc2)n1 7844105 DXOAIVXERNZWRN-UHFFFAOYSA-N 350.509 4.341 0 40 FIAB Cn1ccnc1[C@@H](Nc1ncnc2c1oc1ccccc12)c1ccccc1F 9477370 IJFYDFCYBQJJHH-SFHVURJKSA-N 373.391 4.450 0 40 FIAB O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cncc(Br)c1 9642225 MIMWOWWXJNBBMB-HNNXBMFYSA-N 365.658 4.379 0 40 FIAB O=C(c1ccc(O)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 72332621 OSCKQCVENLJRRE-NZQKXSOJSA-N 370.408 4.145 0 40 FIAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cnc(-c2ccccc2)s1 95381628 YFQWPNVFECATEP-OALUTQOASA-N 369.534 4.176 0 40 FIAB CC1(C)[C@H]2CC=C(COC(=O)C[C@@H]3Sc4ccccc4NC3=O)[C@@H]1C2 84673949 FCOPJASGXUCDEI-ZQIUZPCESA-N 357.475 4.025 0 40 FIAB C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 79110558 RTTJHVKEDUJOAT-HNNXBMFYSA-N 367.449 4.350 0 40 FIAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1 79493733 OFZLTRXWHALDEW-GOSISDBHSA-N 366.446 4.009 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1nc2c(C)c(C)ccc2s1 27756692 YQPQHPDCPLOJIM-UHFFFAOYSA-N 356.447 4.329 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F 408619106 GAXJWMQPDTZWEX-UHFFFAOYSA-N 368.380 4.149 0 40 FIAB CC(C)(C)OC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccnc1 63111090 FVPPQWXFANOJFY-GOSISDBHSA-N 374.440 4.271 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 30943635 XEFRVLZQVPSNCK-UGKGYDQZSA-N 350.506 4.036 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314159 PTMWLTHWYQOOCG-GOEBONIOSA-N 357.523 4.208 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 219298589 LPABHJFYINSICD-MSOLQXFVSA-N 355.478 4.469 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCN(C)c2ccccc2)c1 219305043 MVPCFSIEORSKNJ-LJQANCHMSA-N 354.494 4.022 0 40 FIAB Cc1cccnc1Nc1cncc([C@H]2CCCN(CCc3ccccc3)C2)n1 72354331 KPNHKVUSNLGJBB-FQEVSTJZSA-N 373.504 4.346 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccc(OC)cc1 222993638 XSLBBMTUPXZIHN-OAQYLSRUSA-N 355.478 4.218 0 40 FIAB O=C(Cc1ccccc1Cl)N1CCC(Oc2nc3ccccc3o2)CC1 225680170 XHILIYSUVMTMKK-UHFFFAOYSA-N 370.836 4.094 0 40 FIAB COc1ccc(OC)c(CNC(=O)Nc2ccc(Cl)cc2Cl)c1 40096609 DKXZACYYIULLGC-UHFFFAOYSA-N 355.221 4.332 0 40 FIAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1 222834296 BOOUOIUVUSTNIX-INIZCTEOSA-N 372.896 4.030 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225513509 OZFMYCHURKSNMD-UHFFFAOYSA-N 353.462 4.471 0 40 FIAB Cc1ccc2nc(-c3cccs3)cc(C(=O)N[C@H]3CO[C@@H](C)C3)c2c1 1585363429 ZWILMWDZTFXCDJ-UONOGXRCSA-N 352.459 4.179 0 40 FIAB COc1ccccc1/C=C/C(=O)NCCOc1ccc(C(C)(C)C)cc1 223387227 RFFIROPCUMGLRV-NTEUORMPSA-N 353.462 4.201 0 40 FIAB COc1cccc(CCCNC(=S)Nc2ccc(OC)c(Cl)c2)c1 225553255 GLIWATGLISFMET-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2cccc(F)c2)no1)c1ccc(Cl)cc1 225801836 XBQRJVOYWMWMLX-LBPRGKRZSA-N 373.815 4.339 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccccc2)cc1 222875051 OLCYBTWYUYRTAC-HXUWFJFHSA-N 357.519 4.456 0 40 FIAB CCc1nc2cc(C(=O)Nc3ccc(Br)cc3)ccc2n1C 225896504 HWZSSMGKGKBDRO-UHFFFAOYSA-N 358.239 4.151 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cc(C)cc(C)c1 224096343 KJJFKXXBGUWXLV-LJQANCHMSA-N 361.869 4.309 0 40 FIAB CC(C)Oc1cccc(CNC(=O)COc2cccc(C(F)(F)F)c2)c1 225813057 ULNHXVRWDHYMMK-UHFFFAOYSA-N 367.367 4.188 0 40 FIAB CC(C)c1noc(CCCC(=O)NC(c2ccccc2)c2ccccc2)n1 40128688 XPQQMPKWSUIJPX-UHFFFAOYSA-N 363.461 4.422 0 40 FIAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccc(Cl)s1 96331012 YRHJERVWGQIQCD-UHFFFAOYSA-N 367.923 4.473 0 40 FIAB CC[C@@H](C)n1ncc(NC(=O)N2CCCC[C@@H]2c2nccn2CC)c1C 331621484 NJYIWCPHQVMIOD-RHSMWYFYSA-N 358.490 4.138 0 40 FIAB O=C(c1cc(-c2cn(-c3ccccc3)cn2)n2ccccc12)N1CCCC1 96154931 YKJJJMBHJPUQAV-UHFFFAOYSA-N 356.429 4.028 0 40 FIAB Cc1nccc(N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257225250 FFLGMFUUKXOWMY-QGZVFWFLSA-N 354.841 4.359 0 40 FIAB COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@H]43)nn2-c2ccccc2)cc1 606403357 ZDYUKSZCRQXKGC-LAUBAEHRSA-N 373.456 4.172 0 40 FIAB c1csc(Cn2ncc3[nH]c(-c4c[nH]nc4C4CCCCC4)nc32)c1 48218436 RMHBECNVGVQHPS-UHFFFAOYSA-N 352.467 4.307 0 40 FIAB Cc1nc([C@H](C)NC(=O)N2CCCn3c(cc4ccccc43)C2)cs1 672844549 SEQXVIVGAKZZRJ-ZDUSSCGKSA-N 354.479 4.083 0 40 FIAB O=C(NCC[C@@H]1CCc2ccccc21)c1cc(Br)ccc1F 1595848225 YIMKETVRBYJLHG-ZDUSSCGKSA-N 362.242 4.438 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc3ccccc3n2)cc1 6120396 DVOAQWGGNAXKHY-UTZKEFOASA-N 374.440 4.381 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(Cl)cc(Cl)c1 5375316 CVURANXOTARDPZ-OAHLLOKOSA-N 354.189 4.292 0 40 FIAB COc1ccc2cc(C(=O)N(C)Cc3cccc4ncccc34)n(C)c2c1 12325644 SMLFNBJIMBPLSQ-UHFFFAOYSA-N 359.429 4.007 0 40 FIAB O=C(NCCCCOc1ccc(F)cc1)c1cccc(Br)c1 12392637 GSLCUSXYQMDUMT-UHFFFAOYSA-N 366.230 4.177 0 40 FIAB CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2Cl)cc1 15509356 AATYOVCRHWRXRR-UHFFFAOYSA-N 365.882 4.266 0 40 FIAB Cc1noc(CCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)n1 19719229 YLSGGGZWEXYWBT-UHFFFAOYSA-N 364.430 4.226 0 40 FIAB O=C(N1[C@H]2CC[C@H]1c1cncnc1C2)C1(c2ccc(Cl)cc2)CCCC1 225671275 AQLCVFUSFWZAQJ-LPHOPBHVSA-N 367.880 4.230 0 40 FIAB C[C@H](O)CCCCCCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460239 YLEKEQNOOIMZQM-YOEHRIQHSA-N 350.455 4.071 0 40 FIAB biogenic,in-vitro O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCc2ccccc21 917110 RPMAMLSOLJEZBC-UHFFFAOYSA-N 371.849 4.071 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)Oc1ccccc1 4162633 PYAYTILDEABNRJ-CYBMUJFWSA-N 353.374 4.016 0 40 FIAB CSc1cccc2sc(N(CCN(C)C)C(=O)c3ccccc3)nc12 7599566 YHNUGBNCNMTIIR-UHFFFAOYSA-N 371.531 4.227 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(=O)n(Cc2ccccc2)c1 7573743 ANQSJGSHTCIHSQ-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB Cc1ccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)cc1F 16842443 PIMDDMTVOGCIAV-UHFFFAOYSA-N 359.788 4.034 0 40 FIAB Fc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 10213737 RVNQOHKSFWYKGH-UHFFFAOYSA-N 350.401 4.098 0 40 FIAB O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(Cl)nc1 40074665 VHASYLNPZYPLKZ-RKDXNWHRSA-N 374.712 4.374 0 40 FIAB O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc2ccccc2c1 852598 WRWYNJOZJOWFFI-UHFFFAOYSA-N 368.433 4.289 0 40 FIAB CCc1nnc(NC(=O)CCCSc2nc3ccccc3s2)s1 2504151 WAGSGOUEZMEWSP-UHFFFAOYSA-N 364.521 4.221 0 40 FIAB O=C(CCC1OCCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2581245 FPXMNUWVFLPADC-UHFFFAOYSA-N 356.262 4.450 0 40 FIAB COc1cccc([C@H]2C[C@@H](c3ccc(C)c(C)c3)Nc3ncnn32)c1OC 2919746 WTEQEDZKXHGBLQ-ZWKOTPCHSA-N 364.449 4.058 0 40 FIAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)NCc1ccccc1 3248144 RJIFXLNZRACTSP-UHFFFAOYSA-N 373.452 4.068 0 40 FIAB Cc1ccc2c(COC(=O)Cc3c(F)cccc3Cl)cc(=O)oc2c1 3421677 TVJVFRSOJHUWHG-UHFFFAOYSA-N 360.768 4.180 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)NC2CCCCCC2)cc1 3437325 LJMAEUBSMUIFNR-UHFFFAOYSA-N 356.466 4.252 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(OCC)c1OCC 3479663 LKDHCLYYMWBLQZ-UHFFFAOYSA-N 371.433 4.338 0 40 FIAB Cc1ccc(NC[C@@H](O)Cn2c3c(c4cc(C)ccc42)CCCC3=O)cc1 3628136 QISBRAZOEQPAIX-GOSISDBHSA-N 362.473 4.250 0 40 FIAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](C)c1ccccc1 3895849 UFSPSELVZYPIMF-YTQPIUFNSA-N 358.526 4.221 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 3907691 NIOKSWSVZNUTCL-UHFFFAOYSA-N 356.765 4.034 0 40 FIAB O=C(NC(=S)Nc1ccccc1OC(F)F)c1cccc(Cl)c1 4123115 VACUNPMXWARIQW-UHFFFAOYSA-N 356.781 4.068 0 40 FIAB CCOc1ccccc1Nc1ncccc1C(=O)NCc1cccs1 4217738 DXRVRJTZMPXOEP-UHFFFAOYSA-N 353.447 4.215 0 40 FIAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2)n2ncnc2N1 4597994 KOARYGUMAYULNA-KRWDZBQOSA-N 372.856 4.096 0 40 FIAB CCCCCOC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1 4792041 WBHKGSHDNSYCIF-UHFFFAOYSA-N 363.502 4.322 0 40 FIAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(F)c1 5334691 JFBOYZFBDPRLNA-QHCPKHFHSA-N 374.415 4.016 0 40 FIAB Cc1cc(=O)oc2cc(OC[C@H]3CC(c4ccc(Cl)cc4)=NO3)ccc12 5577604 DHRWDWMRDVBXBM-MRXNPFEDSA-N 369.804 4.327 0 40 FIAB COc1ccc(-c2csc3nc(C)nc(N4CCCC4)c23)cc1OC 6640168 AXQBPJVSOKIFAM-UHFFFAOYSA-N 355.463 4.284 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)O[C@H](C)C(=O)NCc2ccco2)cc1 6850468 ATAKEJJCWARNTI-CQSZACIVSA-N 369.442 4.178 0 40 FIAB O=C(c1cc2c(s1)CCCC2)N1CCN(c2cccc(Cl)c2)CC1 6923074 JBUSFBNUUFVQJQ-UHFFFAOYSA-N 360.910 4.243 0 40 FIAB COc1ccccc1/C=C/C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 6931911 ZUBNVEOJEZODGG-CSKARUKUSA-N 370.880 4.019 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1OCC 7361015 DJFNSXOKPDJGJR-UHFFFAOYSA-N 363.479 4.156 0 40 FIAB CCn1c2ccccc2c2cc(NC(=S)NC[C@@H]3CCCO3)ccc21 7527849 FLTDRYPKLOSNPY-HNNXBMFYSA-N 353.491 4.280 0 40 FIAB COc1ccc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)nn1 7573282 ZRWQEUTZXAVNCN-UHFFFAOYSA-N 373.334 4.423 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7886131 WWTISTYLYKLRON-OAQYLSRUSA-N 358.445 4.218 0 40 FIAB CC(=O)c1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1 8684935 XZHWFGDJXRBEKY-UHFFFAOYSA-N 373.909 4.062 0 40 FIAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2cccc3ccccc23)cc1 10218575 YZEQBVJJDJTHMS-UHFFFAOYSA-N 367.470 4.341 0 40 FIAB Cc1cc(C(=O)O)n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 12394590 SEDVNFJJUFUJPZ-UHFFFAOYSA-N 354.218 4.309 0 40 FIAB CC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccccc3F)s2)cc1 12408873 INFSHHSMBYUCCO-UHFFFAOYSA-N 354.406 4.333 0 40 FIAB CCCc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)cc1 12557868 AOGOFGWWCTZUQF-OAQYLSRUSA-N 366.486 4.102 0 40 FIAB CCOc1ccc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cc1 12747315 YBWRXNVRAABOPJ-SDNWHVSQSA-N 352.821 4.393 0 40 FIAB CCc1cc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)sc1C 12783014 IJAPHAQMSNFHAS-UHFFFAOYSA-N 366.490 4.049 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Br)cc1 12919000 MLBHFTMVEKRORF-GFCCVEGCSA-N 364.239 4.254 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 13074432 SRJVIKQVYSUVRB-BTUFVMOBSA-N 369.383 4.051 0 40 FIAB CC(C)Oc1c(Br)cc(Br)cc1/C=C/C(=O)O 13747783 QSKMFLBRXPQLMH-ONEGZZNKSA-N 364.033 4.097 0 40 FIAB Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1NC(=O)c1ccco1 14094107 PSGDIJXIUYHULS-INIZCTEOSA-N 362.429 4.374 0 40 FIAB CC(C)CNc1nnc(SCc2nc(-c3ccc(F)cc3)no2)s1 14125442 CZHIEKKLWKZKEY-UHFFFAOYSA-N 365.459 4.087 0 40 FIAB COc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 14255917 VMHQIZMGDFPQHM-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CCn1nc2c(c1C(=O)Nc1cccc(CCc3ccncc3)c1)CCCC2 19524111 JATPSWSWRRZQMB-UHFFFAOYSA-N 374.488 4.214 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC(C)C 20492173 HEAZZBCRILBDLO-IBGZPJMESA-N 368.477 4.238 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)cc3)n2)c1 21168629 LRJBUUTUCLSWRI-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB O=C(OCc1coc(-c2ccccc2)n1)c1cc(Cl)c2c(c1)OCO2 24223357 USUCGSIVCSXVNR-UHFFFAOYSA-N 357.749 4.081 0 40 FIAB COc1cc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)ccn1 24927386 XABJSAKZDGMJFR-HXUWFJFHSA-N 364.470 4.240 0 40 FIAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccccc1Br 32609609 VUDNXOGWBQVDHK-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(N2CCCC2=O)c1 32781369 KOCSOPFHGUBMFU-QGZVFWFLSA-N 354.475 4.025 0 40 FIAB Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1C 32817311 CZKLMSYYWDNIPP-UHFFFAOYSA-N 357.475 4.272 0 40 FIAB O=S(=O)(Nc1cc(Cl)ccc1O)c1cc(Cl)ccc1Cl 35592593 PYJAERXLWHRYNO-UHFFFAOYSA-N 352.626 4.153 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCC3CC3)cc12 40050141 WOCFSSPKXWGLLK-UHFFFAOYSA-N 359.882 4.248 0 40 FIAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(C)c(C)c3)nc2c1 40139744 SEKZUWXHVPRQJN-SXGWCWSVSA-N 368.820 4.476 0 40 FIAB Cc1cccc(-c2nnc3sc(NC(=O)c4cccc(Cl)c4)nn23)c1 41076453 FJSKQJLZHHSBGV-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 44846350 BVTBWNXLBMZLTJ-WBVHZDCISA-N 357.450 4.047 0 40 FIAB C[C@H](NC(=O)c1cc2c(nc3sccn32)s1)c1cc(F)ccc1F 48253782 DORRWDAOHGNXFU-QMMMGPOBSA-N 363.414 4.380 0 40 FIAB COc1ccc(-c2nnc([C@H]3CCN(Cc4c[nH]c5ccccc45)C3)o2)cc1 49170118 MELBMAWTWVEKQK-INIZCTEOSA-N 374.444 4.216 0 40 FIAB biogenic,in-vitro COC(=O)c1sccc1NC(=O)[C@H](C)Oc1cccc(C(C)(C)C)c1 59274800 ZCMNBWXWAVEPAX-LBPRGKRZSA-N 361.463 4.238 0 40 FIAB C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccccc12 59967467 SNVMRKOJSFXFLG-LBPRGKRZSA-N 372.266 4.077 0 40 FIAB C[C@H]1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)C1 65588552 DKQMTIYWEGJABK-AWEZNQCLSA-N 351.475 4.337 0 40 FIAB CC(C)OC(=O)[C@@H](C)CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 72300947 YNPRTYMLCKUQKC-QFBILLFUSA-N 371.502 4.224 0 40 FIAB Cc1cccc(-c2noc(CN(C)[C@@H]3CCCN(c4ccccc4)C3)n2)c1 72308351 GIRZMYSQJPGIAU-HXUWFJFHSA-N 362.477 4.146 0 40 FIAB Cc1ccc2c(ccn2CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 72324690 BZNXOKYLEFEWJC-UHFFFAOYSA-N 357.457 4.406 0 40 FIAB biogenic Cc1cc(C(=O)Nc2ccccc2Br)nn1-c1ccccc1 78757776 BWDWFTGROJURIF-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB Cc1cc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)nc(N2CCCCC2)n1 95450166 MOBGAMXCEBYJTA-BTYIYWSLSA-N 368.500 4.328 0 40 FIAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccccc1 95469770 NYIHFECTWNIQOE-ZDUSSCGKSA-N 365.458 4.438 0 40 FIAB COc1cccc2cc(C(=O)NC[C@](C)(OC)c3cccc(Cl)c3)oc12 96392577 BCVVKOXOPAYTGU-FQEVSTJZSA-N 373.836 4.386 0 40 FIAB Cc1cc2ccccc2n1CC(=O)OCc1c(Cl)nc2sccn12 96997213 IRVGUUDUPWSYEN-UHFFFAOYSA-N 359.838 4.056 0 40 FIAB CC(C)n1c([C@H]2CCCN(C(=O)c3ccccc3N)C2)nc2ccccc21 97020247 UMAOINNNVBZAHQ-INIZCTEOSA-N 362.477 4.219 0 40 FIAB O=C(/C=C/c1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100424684 KBMNODPKUWQSKX-PNVKXUSSSA-N 360.501 4.402 0 40 FIAB O=S1(=O)CCC[C@H](N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 108461554 UXPHLCCFNDAOQT-NNWRFLSQSA-N 369.530 4.015 0 40 FIAB CCCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1 218983105 MYAAPAWGPCPSHV-SFHVURJKSA-N 357.450 4.374 0 40 FIAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(C)cc1C 222645953 BCLGCYFCXDEDAM-LJQANCHMSA-N 353.462 4.275 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223077591 JGGQTWUUPXELIG-HXUWFJFHSA-N 361.482 4.275 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)s1 223483565 WTNQFTIEYISIIE-QZTJIDSGSA-N 366.515 4.019 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)c(C)c1 223626883 BNLIIEKKYKTPBQ-GOSISDBHSA-N 363.457 4.419 0 40 FIAB CCc1ccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224991684 GZFHTVANEDEFJP-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB COc1cc(N)ccc1NC(=O)c1cccc2c(Br)cccc12 227146524 KNQVBOFYOAXWHR-UHFFFAOYSA-N 371.234 4.445 0 40 FIAB CN1CCN(Cc2ccoc2)C[C@H]1c1ncn2cc(-c3ccccc3)ccc12 306143127 XTUHQIOZNRMKRG-QFIPXVFZSA-N 372.472 4.083 0 40 FIAB CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O 408931410 LGXSOXGRPJEBIH-UKTHLTGXSA-N 352.337 4.162 0 40 FIAB CCOc1cc(/C=C2/C(=O)N(CC)c3ccccc32)ccc1OCCOC 409206523 PEMHPEMPVGTWLI-NBVRZTHBSA-N 367.445 4.018 0 40 FIAB COc1ccccc1C[C@H]1CCCN1Cc1ccc2oc(C(=O)O)cc2c1 567242274 YVDMQPRCTPQKHO-GOSISDBHSA-N 365.429 4.347 0 40 FIAB CNC1CCC2(CC1)CN(C1CCCCC1)C(=O)c1cc(C)ccc1O2 1615124804 YBMUSXYKZPWOJT-UHFFFAOYSA-N 356.510 4.063 0 40 FIAB Cc1ccccc1N1C(=O)c2ccc(C(=O)N(C)c3ccccc3)cc2C1=O 29484804 QRYLIAMYGWVQSM-UHFFFAOYSA-N 370.408 4.072 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)CCc2nnc(-c3ccsc3)o2)cc1 32754156 IFKDANCIMWIVQL-KRWDZBQOSA-N 367.474 4.403 0 40 FIAB CCCNC(=O)CSc1nc(CCC2CCCC2)nc2ccccc12 4936799 JNSPKZMOJQALSX-UHFFFAOYSA-N 357.523 4.371 0 40 FIAB C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(F)cc1 7962609 VTJGVDDFKOGQSS-AWEZNQCLSA-N 372.440 4.341 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccco1 8041171 ZPQBWUKRGIIPKH-INIZCTEOSA-N 353.871 4.140 0 40 FIAB C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccccc1 8181825 KTUJUMJJNAIKMB-GFCCVEGCSA-N 372.877 4.162 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)Cc2csc(-c3cccs3)n2)on1 53400447 XEIRYBPKIJLIIQ-CYBMUJFWSA-N 359.476 4.074 0 40 FIAB CN1/C(=C\C=C2\N=C(c3ccc(F)cc3)OC2=O)C(C)(C)c2ccccc21 12476110 DCNVMDHMCDHTGU-RRHLHDAOSA-N 362.404 4.325 0 40 FIAB aggregator O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 3041241 OEYHMEPBBSBMKI-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C(Nc1ccccn1)c1cn(Cc2ccccc2)nc1-c1cccs1 12534715 VCVSSZGRQKQKRE-UHFFFAOYSA-N 360.442 4.307 0 40 FIAB O=C1CCc2cc(-c3csc(NCCc4ccccc4)n3)c(F)cc2N1 70012919 ADLRVAWHKWZNEJ-UHFFFAOYSA-N 367.449 4.489 0 40 FIAB FC(F)(F)c1cccc(Cn2nnnc2-c2cccc(C(F)(F)F)c2)c1 1405265 PXSWXNAIERZUAX-UHFFFAOYSA-N 372.272 4.426 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(SC)cc2OC)cc1 3264762 IBGUFFPLVLAMRU-CYBMUJFWSA-N 373.474 4.164 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)c(Cl)c1 25422599 YNROVMWCULOFHE-QGZVFWFLSA-N 371.912 4.106 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)c2nc3n(c2n1)CCCCC3 56034696 HMZYCAMBLRTTPX-GOSISDBHSA-N 366.509 4.261 0 40 FIAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc(F)cc1 25848586 STXGHESMCHJADE-UHFFFAOYSA-N 364.424 4.371 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2ccccc2Cl)c1 26379390 SXTTXMAIPVYGIF-CHWSQXEVSA-N 359.857 4.420 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccccc1F 12616767 FKHJAZONTIMXPB-UHFFFAOYSA-N 352.413 4.292 0 40 FIAB COc1cccc(Cn2cc(NC(=O)Nc3ccc(F)c(Cl)c3)cn2)c1 28220748 RFIAMSHOHWONLW-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB CCCOc1c(Cl)cc(C(=O)Nc2nnc(CC)s2)cc1Cl 27664494 PGWLNNRQCRLDKZ-UHFFFAOYSA-N 360.266 4.448 0 40 FIAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 10208045 DADZKYCABDIXMW-OAHLLOKOSA-N 362.454 4.153 0 40 FIAB CC(C)(C)Cc1cc(NC(=O)NC2CCN(Cc3ccccc3)CC2)on1 58265932 XTWBKCQUTANEBB-UHFFFAOYSA-N 370.497 4.049 0 40 FIAB CCc1ccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)cc1 27795857 IFOMBSFVUYQVCR-UHFFFAOYSA-N 374.835 4.346 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(-c2ccccc2)[nH]n1 10899874 NZCZXGGUQJQSEI-UHFFFAOYSA-N 374.488 4.339 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(C)c1OC 20143055 UMFCOYVFTGXKGL-UHFFFAOYSA-N 367.401 4.017 0 40 FIAB O=C(O)c1ccc(-c2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1 3334932 GMUAUUOUAAYXGG-UHFFFAOYSA-N 366.373 4.156 0 40 FIAB Cc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cccc(C)c4C)C(=S)N23)cc1 36612376 CPBGECDEMFSZFP-HKUYNNGSSA-N 368.527 4.360 0 40 FIAB COC(=O)C1(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)CCCC1 12739088 RZTWALYKVWXMNW-UHFFFAOYSA-N 357.450 4.009 0 40 FIAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 12788022 DMNDUPZFTARMOY-YVEFUNNKSA-N 359.267 4.053 0 40 FIAB O=C(NCc1ccccc1OC(F)F)c1ccc(CN2CCCCC2)cc1 12787792 VUDOGANEFXLLKR-UHFFFAOYSA-N 374.431 4.204 0 40 FIAB Cc1sc2nc(CSc3ccccc3)nc(N3CCOCC3)c2c1C 3428567 ACTWFMPOQDAIBV-UHFFFAOYSA-N 371.531 4.437 0 40 FIAB CN(C(=O)c1ccc(OCc2cn3ccccc3n2)cc1)C1CCCCC1 17357017 DDXKFHGHTPQTIS-UHFFFAOYSA-N 363.461 4.318 0 40 FIAB CC(=O)Oc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 13721669 IHWVQEWVRGBIIP-UHFFFAOYSA-N 364.275 4.284 0 40 FIAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1Cl 13729538 NQYBUXMTDWIGHJ-UHFFFAOYSA-N 354.218 4.035 0 40 FIAB COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccco3)C2)c1 4302482 GPNDXVSXCVXLTJ-INIZCTEOSA-N 352.415 4.341 0 40 FIAB O=C(C[S@](=O)c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 5249086 OJTODKFSOVRSFZ-HSZRJFAPSA-N 361.772 4.105 0 40 FIAB O=C(NCc1cccc2c1OCCO2)c1sc2ccccc2c1Cl 65587711 NYHPLRHIWXWURU-UHFFFAOYSA-N 359.834 4.256 0 40 FIAB CC(=O)c1cnn(-c2cc(NC3CCCC3)nc(-c3ccccc3)n2)c1C 5429119 CWSKSPGBEGSIGG-UHFFFAOYSA-N 361.449 4.195 0 40 FIAB CC(C)OC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5522629 GRGJXWRBRUKYER-UHFFFAOYSA-N 356.466 4.342 0 40 FIAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1cccc(F)c1 6886330 OIFHSAVOAQRWDQ-UHFFFAOYSA-N 369.417 4.253 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 8852416 PLXOZLNXCQXDIV-MRXNPFEDSA-N 366.442 4.060 0 40 FIAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)c1 7236509 IFEWGDJSPLIORS-AWEZNQCLSA-N 355.463 4.364 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(F)cc1F 7472949 KHRSDCLUZIYEEK-UHFFFAOYSA-N 360.341 4.069 0 40 FIAB CCOC(=O)c1ccc2c(c1)nc(COc1ccc(C)c(C)c1)n2CC 15913343 XVJIEWWSWFKIEO-UHFFFAOYSA-N 352.434 4.429 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(Cl)c(Cl)c2)cc1OC 7781214 BZMYWHRBCUESEP-UHFFFAOYSA-N 354.233 4.283 0 40 FIAB O=c1[nH]c(CSCc2ccccc2)nc2c(-c3ccccc3)nsc12 96008327 UONMRIOITZPVHT-UHFFFAOYSA-N 365.483 4.480 0 40 FIAB Cc1cccc(-c2nc(C)c(C(=O)O)c(SCCN3CCCCC3)n2)c1 9303415 RCXSWYMZSZDQFH-UHFFFAOYSA-N 371.506 4.037 0 40 FIAB COc1ccc(-c2nc(C(=O)N3CCCCCCC3)cs2)cc1OC 9446074 NBWBQHOAVAXACG-UHFFFAOYSA-N 360.479 4.234 0 40 FIAB CSc1ccccc1NC(=O)CCCc1nc(-c2ccccc2)no1 19816246 VTFSLSTWPSEJBM-UHFFFAOYSA-N 353.447 4.420 0 40 FIAB C[C@@]1(c2ccco2)NC(=O)N(Cc2ccccc2Oc2ccccc2)C1=O 9753181 FPAWCKJKPXGCHN-NRFANRHFSA-N 362.385 4.039 0 40 FIAB C[C@H](c1ccc2ccccc2c1)N(C(=O)CN1CCCCCC1=O)C1CC1 95377432 SXUZRTZTZSUASA-QGZVFWFLSA-N 364.489 4.294 0 40 FIAB CC(=O)c1ccc(NC(=O)N[C@H](C)Cc2nc3ccccc3s2)cc1 84641000 AWZQQRIOITZDKK-GFCCVEGCSA-N 353.447 4.252 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(-n2ncc3ccccc32)cc1)c1ccncc1 95466908 JNYZQPODFVQOTL-OAHLLOKOSA-N 357.417 4.303 0 40 FIAB O=C(O)C1=C(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCCC1 85714665 BYIAIMJBPMIGEE-UHFFFAOYSA-N 351.402 4.159 0 40 FIAB CC(C)(C)c1cc(-c2nn3c(-c4ccccc4Cl)nnc3s2)n[nH]1 31806791 OICHYMCOXPOXAO-UHFFFAOYSA-N 358.858 4.194 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3nc(N)sc32)cc1OC1CCCC1 36366008 XLQPNHPVBZQKEF-GFCCVEGCSA-N 359.451 4.179 0 40 FIAB Cc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)cc3[nH]2)c(C)c1 33063627 JQKFLVJHUDYXAU-UHFFFAOYSA-N 366.486 4.325 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30867167 GUGAKZXLKDQVEZ-SJLPKXTDSA-N 371.477 4.355 0 40 FIAB CC(C)C(NC(=O)C1CCN(Cc2ccccc2Cl)CC1)C(C)C 39751274 VQAMAJNSMGHZGY-UHFFFAOYSA-N 350.934 4.349 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)cc1 225448188 YXAAZLFMLPEFHR-LLVKDONJSA-N 353.538 4.466 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)s1 224590855 OEBULKSNCGWCEB-ZWKOTPCHSA-N 367.499 4.334 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225695058 HHKYWICSJIKDOZ-ACJLOTCBSA-N 357.878 4.288 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 224780304 OXOGMFTUKRXJGG-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB Cc1cccc(NC(=O)CCNC(=O)c2ccc3sc(Cl)nc3c2)c1 225979770 WDEORBMHOYYFHX-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1 225857142 CCBSTKPYPZQRRA-OAHLLOKOSA-N 353.871 4.087 0 40 FIAB CCOC(=O)C1(c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)CC1 222953385 PSAJGWLONHEVNE-UHFFFAOYSA-N 373.836 4.196 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222849876 DTXRZLGHTDNQTI-HNNXBMFYSA-N 361.869 4.173 0 40 FIAB O=C(c1cccs1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257263248 LPAHCDIMSQKECG-INIZCTEOSA-N 356.422 4.443 0 40 FIAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2cccc3ccccc23)nc1 257251594 JRKLXFGOARQQOI-HSZRJFAPSA-N 359.473 4.208 0 40 FIAB CS(=O)(=O)c1ccc(CSc2ncc(-c3ccc(Cl)cc3)o2)o1 1643612802 VABBMYDNSUTSTB-UHFFFAOYSA-N 369.851 4.284 0 40 FIAB C[C@@H](C(=O)NC1(c2cccc(Cl)c2)CCC1)n1ccc(C(F)(F)F)n1 1130088492 VACOAWBLVZXSHT-NSHDSACASA-N 371.790 4.312 0 40 FIAB CO[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCC2(CCC2)C1 1697111683 BHZSCURPGKZBHI-CQSZACIVSA-N 360.889 4.014 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)OC 96385382 JKDKGGWYAVHYFL-MRXNPFEDSA-N 368.355 4.223 0 40 FIAB COc1cccc(CSc2nc3cc(Br)cnc3[nH]2)c1 5248920 MEOCRYOWPNWTAG-UHFFFAOYSA-N 350.241 4.021 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1cccs1 12148568 AFFQUFYKUVORLV-INIZCTEOSA-N 360.870 4.109 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)c2ccccc12 12869927 ONDQZNIHIZLQJM-UHFFFAOYSA-N 372.490 4.459 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494856 DOOYBEDVYVKRQS-GFCCVEGCSA-N 371.824 4.280 0 40 FIAB C[C@@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 15377100 GSKPYBFIAVOSEB-GFCCVEGCSA-N 363.866 4.081 0 40 FIAB CSc1ccccc1-c1nnc(NC(=O)c2ccc(Cl)s2)o1 4585558 UQMWVBNAOOCOIO-UHFFFAOYSA-N 351.840 4.426 0 40 FIAB CNC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC[C@@H](C)C2 5055560 AAJSRDKZKNZIDG-MRVPVSSYSA-N 368.911 4.200 0 40 FIAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccc(F)cc1 21681271 JXXWLSYLFOIOBT-UHFFFAOYSA-N 367.449 4.093 0 40 FIAB CCCOC(=O)c1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1 18114291 UZXZPENETHYBIN-UHFFFAOYSA-N 368.389 4.155 0 40 FIAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 36046373 GTIZUONOURJNBM-JKIFEVAISA-N 370.522 4.181 0 40 FIAB CN(C)CCNCC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 20573267 OMVACMSEFZLKAW-MJGOQNOKSA-N 366.977 4.245 0 40 FIAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3c(C)cccc32)c1 32090617 MVKINKRXDONWAD-JOCHJYFZSA-N 372.428 4.027 0 40 FIAB Cc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c(C)c1 808660 YXZNDLNRYSZJPF-QFIPXVFZSA-N 358.441 4.354 0 40 FIAB CC(C)OC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 865287 VSUYDDFKJGKMLQ-GXTWGEPZSA-N 353.344 4.109 0 40 FIAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N(C)C2CCCCC2)cc1 883939 JKAJPGSQOPKMCA-FQEVSTJZSA-N 353.514 4.451 0 40 FIAB C[C@H](CN1CCCCC1)OC(=O)C1c2ccccc2Oc2ccccc21 1300550 HTGGGQRKDDWKKW-MRXNPFEDSA-N 351.446 4.342 0 40 FIAB CCOC(=O)[C@@]1(C)C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 1833495 WSBWOSUWLYJCPY-HXUWFJFHSA-N 370.836 4.004 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 1943786 VZVYOINDKIZZPD-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB O=C(N[C@@H](CO)c1ccccc1)OCC1c2ccccc2-c2ccccc21 2244173 CATSPGUSOQBNRU-QFIPXVFZSA-N 359.425 4.259 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4C)nnc32)cc1Cl 2404589 OVHFIDFLDQQBLA-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB COC(=O)c1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1 3209912 NGPHTCWVTFWRGJ-UHFFFAOYSA-N 358.777 4.120 0 40 FIAB COc1ccc(-c2n[nH]c(C)c2Oc2ccc3c(c2)OCCCO3)c(O)c1 3985118 FPXDJXQNSPDUHA-UHFFFAOYSA-N 368.389 4.053 0 40 FIAB biogenic COc1ccc2nc(Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)sc2c1 4137739 ABTPUPYCOVCATK-SECBINFHSA-N 373.503 4.334 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 4179800 CZLISFNNPUJHCS-OHFALNGGSA-N 370.474 4.058 0 40 FIAB CCCCOc1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1 4185355 LPLMYBZRIMDNPH-UHFFFAOYSA-N 362.514 4.189 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1Cl)C(=O)O 4241091 RTAALXHRKJFITN-KRWDZBQOSA-N 374.264 4.390 0 40 FIAB CN1C(=O)c2cccc(NC(=O)c3sc4ccccc4c3Cl)c2C1=O 4263818 APIVQWQESFGZQW-UHFFFAOYSA-N 370.817 4.033 0 40 FIAB COc1ccc(-c2c(C)c3cc(OC(=O)C(C)C)ccc3oc2=O)cc1 4340706 CYKKIBMIUIMGJQ-UHFFFAOYSA-N 352.386 4.338 0 40 FIAB biogenic CC(C)n1cnnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 4768380 KEPZVUVYNWKSKR-UHFFFAOYSA-N 352.463 4.404 0 40 FIAB CC(C)[C@@H](C)NC(=O)COc1ccc2ccccc2c1Br 5346986 IUIIIOOIAQTJRA-GFCCVEGCSA-N 350.256 4.142 0 40 FIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc2c(s1)CCCC2 5525427 BHGQQHLLQVUZDL-MJGOQNOKSA-N 366.530 4.383 0 40 FIAB CCOc1ncccc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 6590672 GLNOHAFEQIYVDE-UHFFFAOYSA-N 372.428 4.356 0 40 FIAB CCCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 6657377 ZEWMGUPOYPEUDU-MHWRWJLKSA-N 371.414 4.400 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(-c2cccs2)on1 7550425 LIGOJVYUGQFIDW-UHFFFAOYSA-N 359.378 4.249 0 40 FIAB O=C(O)/C(=C/c1ccccc1O)Sc1nnc(-c2ccc(Cl)cc2)o1 7603202 GKMNFZOUKWTKGY-ZROIWOOFSA-N 374.805 4.313 0 40 FIAB CCNC(=S)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7659771 BOSMAWGODUHICE-OAHLLOKOSA-N 357.910 4.437 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 8041165 NNVHZXNIKBCAER-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc12 8195558 CMGLXUOAEGNPTE-UHFFFAOYSA-N 365.410 4.055 0 40 FIAB CNCCCNCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8376916 GTHWHIWGBHNOMS-UHFFFAOYSA-N 352.453 4.257 0 40 FIAB COc1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 8704493 PWYNUIHUIILYHK-UHFFFAOYSA-N 358.344 4.200 0 40 FIAB Cc1ccc(CSc2nc(CC(=O)NCc3ccco3)cs2)cc1 8936344 OEIJSDVBWLWBEB-UHFFFAOYSA-N 358.488 4.196 0 40 FIAB CC(C)[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 10285136 KQTCSQMFBNFSAW-VLIAUNLRSA-N 372.440 4.354 0 40 FIAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(Br)o1 10893741 UZSQFCMYKFNUOY-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB COc1cccc(-n2ccnc2SCc2ccc(-n3cccn3)cc2)c1 11206489 OQYFWKCTELIPNO-UHFFFAOYSA-N 362.458 4.359 0 40 FIAB CCOc1ccc2[nH]c3c(c2c1)CN(Cc1c[nH]nc1C(C)(C)C)CC3 12147171 XLAVFUOGCPLZBE-UHFFFAOYSA-N 352.482 4.146 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)c2sc(C)nc2C)cc1 12162303 IEDNEAYEDOGXHB-VJANTYMQSA-N 370.518 4.471 0 40 FIAB O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)C1CC1 12257208 OAMNPNGHNNUWSH-UHFFFAOYSA-N 370.456 4.109 0 40 FIAB COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1C 12795709 YXXGIZQDXBOEFK-SFHVURJKSA-N 367.445 4.142 0 40 FIAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1cccs1 13074952 GYAUPQIGOSLOAT-ZPVISIIKSA-N 368.340 4.488 0 40 FIAB O=C1CCc2cc(-c3csc(NCCc4cccs4)n3)ccc2N1 14103851 HKUAUKPXSFRJSL-UHFFFAOYSA-N 355.488 4.411 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C 14386785 QGCHEJJGYGVWDD-UHFFFAOYSA-N 354.450 4.011 0 40 FIAB CCN1C(SCc2ccccc2Cl)=NS(=O)(=O)c2ccccc21 15868386 SVGJGEFHEHDKKC-UHFFFAOYSA-N 366.895 4.158 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2Br)c1 17074699 KGVQMNIXAXUPQR-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccccc3F)s2)cc1 17209589 ZDKOQHJAGHUXLX-DHZHZOJOSA-N 355.394 4.109 0 40 FIAB O=S(=O)(Oc1ccccc1-c1ccccc1)c1cccc2nsnc12 19108900 KCDUHSYKFJLPRA-UHFFFAOYSA-N 368.439 4.126 0 40 FIAB c1ccc(-c2nc3sccn3c2CN2CCN(c3ccccc3)CC2)cc1 19907578 YWGDDYYNUSFXHG-UHFFFAOYSA-N 374.513 4.385 0 40 FIAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20671820 UVGWKOPYPNWHAV-HNNXBMFYSA-N 366.490 4.272 0 40 FIAB COc1cccc(Nc2cc(C)nc3cc(-c4ccccc4OC)nn23)c1 21150539 VYCPMKRJZGHSLQ-UHFFFAOYSA-N 360.417 4.466 0 40 FIAB CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(OC)cc1 21837590 RFSWFVUMDAACRD-FQEVSTJZSA-N 357.450 4.130 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 22525312 GHICXZDIYGEVJE-GOSISDBHSA-N 371.477 4.137 0 40 FIAB CN1CCN([C@@H]2Cc3ccccc3Sc3c(F)cc(Cl)cc32)CC1 22865468 GGEDQKAXYGTPBK-QGZVFWFLSA-N 362.901 4.475 0 40 FIAB Cc1cccc(C2(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)CCC2)c1 24863799 CAEZWFFEXHXPHK-UHFFFAOYSA-N 364.489 4.131 0 40 FIAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@H]1Cc1ccccc1 25439355 ZERCMJQPEDDOLL-NRFANRHFSA-N 350.506 4.457 0 40 FIAB O=C(NCc1ccc(Cl)cc1)c1cccnc1SCC(F)(F)F 25894790 CYLVYNPLWNPNBT-UHFFFAOYSA-N 360.788 4.319 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(SC)cc2)nnc1-c1ccco1 26939066 NZLZSIAWLMIQMP-UHFFFAOYSA-N 374.491 4.011 0 40 FIAB COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc(OC)c1Br 27256114 NDFWWGVIIVMRKB-DGCLKSJQSA-N 370.287 4.117 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nccn2-c2ccccc2)cc1F 27489554 HXDRARHHLNBTBX-AWEZNQCLSA-N 355.438 4.439 0 40 FIAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C)n1 27770856 DICCGOCKQVBAJC-SNVBAGLBSA-N 363.874 4.495 0 40 FIAB CCN(CC)[C@@H](CNC(=O)Cc1ccc(OC)cc1)c1ccccc1Cl 27794418 KJXIUBZOMATXLF-FQEVSTJZSA-N 374.912 4.090 0 40 FIAB biogenic C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)N[C@H](C)c1ccccc1 28230008 LOISOIQRKPLVKT-CHWSQXEVSA-N 365.399 4.293 0 40 FIAB CN(CC(=O)Nc1cccc(Br)c1)[C@@H]1CCc2ccccc21 29482512 PMMIGQRJUDUNCM-QGZVFWFLSA-N 359.267 4.007 0 40 FIAB COc1cccc(NC(=O)CSCc2csc(-c3ccco3)n2)c1 31420279 MQHRLRQIPTXBMX-UHFFFAOYSA-N 360.460 4.284 0 40 FIAB COc1ccc(-c2nc(COc3ccccc3C(F)(F)F)no2)cc1 31789718 QEGFRCGRWKYMBQ-UHFFFAOYSA-N 350.296 4.343 0 40 FIAB CN(Cc1cccs1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 32747948 IUCKTZBBFOMTAU-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 34798120 RSRKVJNOMGPRTD-FOIQADDNSA-N 356.441 4.307 0 40 FIAB CCCSc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1 39989152 UIOSEEJFNDGQGL-UHFFFAOYSA-N 357.888 4.020 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1)c1ccccn1 47248080 PQCBOLIFWXXIDL-OXQOHEQNSA-N 363.461 4.129 0 40 FIAB CC(=O)NCc1ccc(C(=O)O[C@@H](Cc2ccccc2)c2ccccc2)cc1 48332071 UFLMDNQOBVQVFM-QHCPKHFHSA-N 373.452 4.464 0 40 FIAB Nc1cc(Nc2ccc(Br)cc2)nc(-c2ccccc2F)n1 49467835 YZOZPFQQQDTTCG-UHFFFAOYSA-N 359.202 4.371 0 40 FIAB O[C@@H](CN1CCC[C@@H]1c1nc2ccccc2s1)c1c(F)cccc1F 51118130 YACPLHCFHAIVCY-CVEARBPZSA-N 360.429 4.445 0 40 FIAB O=S(=O)(c1ccc(F)cc1F)N(C1CC1)[C@@H]1CCCc2ccccc21 58229568 MTDUKRYNQRJXJY-GOSISDBHSA-N 363.429 4.196 0 40 FIAB Cc1cc([C@@H](C)NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)o1 65487318 RDCMRJUKMLSZKD-QRWLVFNGSA-N 356.466 4.113 0 40 FIAB CC(C)Oc1ccc([C@H](O)CNCc2ccccc2C(F)(F)F)cc1 72286592 MPPSEMWUIGXGRV-GOSISDBHSA-N 353.384 4.316 0 40 FIAB Cc1nc(-c2ccc(CC(=O)NCc3ncc(C(C)(C)C)o3)cc2)cs1 72309341 MKAUWWQQIAVZKW-UHFFFAOYSA-N 369.490 4.263 0 40 FIAB Cc1ncc(CN(C)C)c2cc(C(=O)c3ccc(Br)cc3)oc12 95476610 FBPFXGIVZRJYQR-UHFFFAOYSA-N 373.250 4.191 0 40 FIAB O=C(N1CCC([C@@H](O)c2ccccc2)CC1)C1(c2cccc(F)c2)CCC1 96997953 ABXSZYXBJOVNIO-NRFANRHFSA-N 367.464 4.220 0 40 FIAB CCCCOCCOCCNc1ncnc2oc(-c3ccccc3)cc12 97020973 ZBWFQYRJXWRJNE-UHFFFAOYSA-N 355.438 4.135 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 100335273 GVIJXAGQFJBJRO-BHPKHCPMSA-N 361.507 4.424 0 40 FIAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 100750225 UTADVVGQSDLMRJ-JQVVWYNYSA-N 357.542 4.187 0 40 FIAB O=C1/C(=C\c2csc3ccccc23)NC(=S)N1c1ccccc1F 102203769 MBJAYIJOBAZVRW-NTEUORMPSA-N 354.431 4.303 0 40 FIAB Nc1nnc(-c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)o1 216847448 ZHGLMVKONIDNMD-UHFFFAOYSA-N 354.168 4.344 0 40 FIAB COc1ccc([C@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1OC 222549298 NPMTYLWAHHIOCD-CQSZACIVSA-N 366.248 4.234 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(OC)cc1 222964775 VFRQNOXCAYYCHQ-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccccc2C)cc1 224435697 KPFUCDMGDMBYKY-HXUWFJFHSA-N 355.478 4.300 0 40 FIAB O=C(NCc1cccc(CN2CCCC2)c1)C1(c2ccccc2)CCCC1 224638908 RLUNANKEXUFMCA-UHFFFAOYSA-N 362.517 4.411 0 40 FIAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCCCC2)cc1 224881007 LMLNOAHDEFNJRO-UHFFFAOYSA-N 350.506 4.424 0 40 FIAB CCc1ccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)cc1 225163278 KGSJBCASMYELEO-UHFFFAOYSA-N 355.478 4.255 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2cccc(C)c2)CC1 225188131 KCGUSGNMYMIGKA-GOSISDBHSA-N 366.505 4.093 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)c1 225291602 WKZQNTBPRXQUAG-MRXNPFEDSA-N 368.477 4.185 0 40 FIAB CC[C@@H](CNC(=S)Nc1ccc(OC)c(OC)c1)Cc1ccccc1 225630423 VCOADALKSCUJCK-OAHLLOKOSA-N 358.507 4.259 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(F)c1 225686504 HLJVRIZGTXXFID-INIZCTEOSA-N 360.454 4.423 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C)n1 225875630 CCVFZFCFPTWGTC-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@H](O)c2cc(C)ccc2C)cc1OC 247879345 QFYQFRXUOSIZJU-PMACEKPBSA-N 355.478 4.191 0 40 FIAB CC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620158 KRSUBAFXLFXVAG-CYBMUJFWSA-N 354.837 4.357 0 40 FIAB CCC1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)CC1 408708409 PVYKZNZEJVQXKI-PCKAHOCUSA-N 362.901 4.086 0 40 FIAB CCCCN(C(=O)CCCc1ccc2nc(O)[nH]c2c1)c1ccccc1 530720886 VIYXRCFMSAXKSF-UHFFFAOYSA-N 351.450 4.425 0 40 FIAB Cc1ccc2sc(C(=O)N3CCC[C@](O)(C(F)(F)F)CC3)c(C)c2c1 585082419 QDZBIXNWZSYHPV-QGZVFWFLSA-N 371.424 4.438 0 40 FIAB C=CC(=O)NCc1ccc(C(=O)N2CC(C)(C)c3cc(Cl)ccc32)cc1 1531459354 RJFJELYBUVCGGU-UHFFFAOYSA-N 368.864 4.080 0 40 FIAB C[C@@H](NCc1ccc(-c2cccs2)cc1)c1nc(C(F)(F)F)n[nH]1 1665752846 IKVZLOLFXCXAEP-SNVBAGLBSA-N 352.385 4.403 0 40 FIAB O=Cc1nc(Br)c(-c2cc(Cl)cc(C(F)(F)F)c2)[nH]1 1857794956 ZWYBHNVSXWHQJB-UHFFFAOYSA-N 353.525 4.324 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3)n2C)cc1 649504 WGZDUXJTGYRYRC-OAHLLOKOSA-N 366.490 4.218 0 40 FIAB COc1ccc(-c2nnc(-c3ccc(OC)c(Br)c3)o2)cc1 677213 CIDSEGPHZFKMRK-UHFFFAOYSA-N 361.195 4.183 0 40 FIAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)c1 680956 ZCNYIUCSXYXRND-UHFFFAOYSA-N 368.380 4.231 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CCC2 941459 XTOUFFMTCGZMQL-VAWYXSNFSA-N 371.458 4.074 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)cc1OC 1385524 MISCEHVNDBDPET-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB CCOC(=O)Cc1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn12 1573339 UHGMWULLGNTGGY-UHFFFAOYSA-N 366.442 4.330 0 40 FIAB CCc1ccc(CSc2nnc(C)n2-c2ccc3c(c2)OCCO3)cc1 2243902 OETRZZUVTFASMV-UHFFFAOYSA-N 367.474 4.202 0 40 FIAB CC(C)OP(=O)(OC(C)C)[C@@H](O)c1ccc(Br)cc1 2281909 YLNYYEKPUCIHTA-CYBMUJFWSA-N 351.177 4.483 0 40 FIAB Cc1cccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)c1 2400523 JLTVBBWPQLHWSE-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB O=C(NCC[C@@H](c1ccc(F)cc1)c1ccco1)C(=O)c1cccs1 2453322 SMFJRFBHYNZKES-HNNXBMFYSA-N 357.406 4.001 0 40 FIAB Cc1ccc2nc(C)cc(C(=O)OCC(=O)Nc3ccccc3Cl)c2c1 2634868 QWTQGJNSTBDIOQ-UHFFFAOYSA-N 368.820 4.301 0 40 FIAB O=C(COC(=O)c1ccccc1)Nc1nc(-c2ccccc2Cl)cs1 2637922 WMZNTDCCYUPTPU-UHFFFAOYSA-N 372.833 4.259 0 40 FIAB CN(Cc1ccccc1)C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 2642458 GZLKTYQIXPLJOQ-UHFFFAOYSA-N 373.452 4.098 0 40 FIAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 2735117 IAZWNNACOSEBDJ-LJQANCHMSA-N 356.897 4.211 0 40 FIAB Cc1cc(OCn2ccc(C(=O)N3CCCCCC3)n2)cc(C)c1Cl 2797886 WEJXPIWFBCBTLW-UHFFFAOYSA-N 361.873 4.206 0 40 FIAB COc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1 3269686 RPQNQYFMZUVGTK-UHFFFAOYSA-N 358.191 4.371 0 40 FIAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(F)cc1 3305326 ZZIBGZOOLNHJCE-UHFFFAOYSA-N 362.813 4.062 0 40 FIAB CC(C)Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033434 QUVVSBLYYGCVGS-HNNXBMFYSA-N 351.425 4.352 0 40 FIAB COc1ccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c(OC)c1 4137695 DYQNMTADNAMQLP-UHFFFAOYSA-N 372.381 4.246 0 40 FIAB COC(=O)c1ccc(COC(=O)CCCc2c[nH]c3ccccc23)cc1 5184087 XTZAYTCVKGUYDW-UHFFFAOYSA-N 351.402 4.021 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1cccc(Cl)c1 5252294 VQYNRLAXQDKNKV-UHFFFAOYSA-N 354.837 4.282 0 40 FIAB O=C(C[S@](=O)c1ccccc1Cl)Nc1ccc(Cl)cc1Cl 5278198 WAUCLUQSANKZTK-OAQYLSRUSA-N 362.665 4.393 0 40 FIAB COc1cccc(-c2nc(CCNC(=O)c3ccccc3C)cs2)c1 5483950 BSISNUZIEVPIFC-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB CCSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F 5568679 QVUBKNLCPURAQF-UHFFFAOYSA-N 352.793 4.429 0 40 FIAB Cc1ccc(-c2cnc(SCC(N)=O)n2-c2ccc(C)cc2C)cc1 5969852 JMGFSGJCDKXKRG-UHFFFAOYSA-N 351.475 4.042 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1C 6234100 OXDCVPKCPALOJJ-UHFFFAOYSA-N 369.273 4.443 0 40 FIAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccccc2)cc1 6630470 OOAGGPNPVAZKRY-UHFFFAOYSA-N 360.413 4.105 0 40 FIAB COC(=O)c1ccc(Cl)cc1NC(=O)Cc1coc2cc(OC)ccc12 6790038 GKLJJPJMQQSQNS-UHFFFAOYSA-N 373.792 4.063 0 40 FIAB Cc1ccccc1N1CCN(C(=O)/C=C/c2cc(C)n(C3CC3)c2C)CC1 7226883 GUYFHMLUQJYLJI-DHZHZOJOSA-N 363.505 4.110 0 40 FIAB C[C@H]1C[C@H](C)CN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)C1 7285440 JQYURUGRJHBQPG-KBPBESRZSA-N 353.491 4.130 0 40 FIAB O=c1c2ccccc2nc(SCCOc2ccccc2F)n1C1CC1 7860099 USUMYSHXKNJJAB-UHFFFAOYSA-N 356.422 4.042 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OCO4)s2)cc1 7917946 GWEOGAMMHWYECP-UHFFFAOYSA-N 368.414 4.108 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2o1 7979505 NRMTVEYLNQBXKC-UHFFFAOYSA-N 352.868 4.293 0 40 FIAB O=C(c1cn2ccccc2n1)N1CCCC[C@@H]1c1nc2ccccc2s1 8013493 NPLPAUQYGQBHFA-MRXNPFEDSA-N 362.458 4.311 0 40 FIAB Cc1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 8272129 UZUDRFFPHZWPNI-UHFFFAOYSA-N 354.494 4.046 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccco2)C1 8636117 FLASPQXIMAPXIV-NVXWUHKLSA-N 365.408 4.063 0 40 FIAB biogenic,in-vitro CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8722861 VTXKGPCRPJIMJW-VQTJNVASSA-N 369.461 4.349 0 40 FIAB Cc1ccc(C)c(Nc2nc3nonc3nc2Nc2ccccc2F)c1 9185430 DGNNINTZFYMWRT-UHFFFAOYSA-N 350.357 4.256 0 40 FIAB CCOC(=O)c1oc2ccc(NC(=O)c3cccc(OC)c3)cc2c1C 9659857 LJAUTFDGRDXNRS-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(SC(F)F)cc1 11660473 NNZFFGHJRJIVAZ-UHFFFAOYSA-N 364.417 4.090 0 40 FIAB Cc1cccc(Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 12563314 UOHTUMGZYCJCFC-UHFFFAOYSA-N 352.463 4.426 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c(Cl)c1 12852252 FTXUIPRUFPWEIY-ZDUSSCGKSA-N 362.882 4.201 0 40 FIAB COc1ccc([C@H](CNC(=O)Nc2cccc(Cl)c2)N2CCCC2)cc1 12986733 IGETUMZLUPVQKO-IBGZPJMESA-N 373.884 4.307 0 40 FIAB Cc1nn([C@H](C)CC(=O)Oc2ccc(Cl)cc2)c(C)c1Br 13568790 SIJADRVCVZVCRA-SECBINFHSA-N 371.662 4.473 0 40 FIAB S=C(Nc1ccccc1Cl)N(Cc1ccco1)C[C@@H]1CCCO1 13693310 YQNPYNOMOJQWSM-AWEZNQCLSA-N 350.871 4.311 0 40 FIAB Nc1c(Cl)c(Cl)nc(C(=O)OC/C=C/c2ccccc2)c1Cl 14704501 MYVBSWWEWWTWGE-QPJJXVBHSA-N 357.624 4.494 0 40 FIAB CCOc1ccccc1O[C@H](C)C(=O)Nc1cccc(Br)c1 15363576 KTGIKWDIIADDFT-GFCCVEGCSA-N 364.239 4.254 0 40 FIAB COCCn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc21 15860707 LRRKQYIJFQOYIY-UHFFFAOYSA-N 356.491 4.471 0 40 FIAB COc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)c1O 17953151 FXGZOASXLBHBHB-GASCZTMLSA-N 363.461 4.493 0 40 FIAB Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1ccncc1 19237080 FUQKXBUWSIGLHB-OAQYLSRUSA-N 374.488 4.087 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 20458118 IRACGGAFPPVPEU-CQSZACIVSA-N 374.868 4.132 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)N(C)Cc3cccc(Cl)c3)o2)cc1 21598136 SEMXJRCOELIZKI-UHFFFAOYSA-N 369.852 4.290 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC 22519644 UOTVJYWNELFXED-JKSUJKDBSA-N 371.477 4.472 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cccnc1SCC(F)(F)F 22522738 HVRYDIKDHFMDEZ-UHFFFAOYSA-N 356.369 4.305 0 40 FIAB c1coc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)c1 24601882 ZQXPHSRJXFWLNE-CYBMUJFWSA-N 366.446 4.319 0 40 FIAB O=C(c1ccc(NC(=O)C2(c3cccc(F)c3)CCC2)cc1)N1CCCC1 24864661 PPCWUFRWUDOTFH-UHFFFAOYSA-N 366.436 4.122 0 40 FIAB Cc1cccc(OCCC(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)c1C 25004258 VBRVJXRTWQRKOL-UHFFFAOYSA-N 370.424 4.199 0 40 FIAB Cc1ccc2nc(-c3cccs3)cc(C(=O)NC[C@@H]3CCCO3)c2c1 27976979 BKETXRHGBZHHMG-AWEZNQCLSA-N 352.459 4.181 0 40 FIAB CC(C)CC(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 28048041 BAEVGIIVEZMHJS-HXUWFJFHSA-N 356.853 4.256 0 40 FIAB CCc1cc2oc(=O)cc(CN3CCn4cccc4[C@@H]3C)c2cc1Cl 32753354 BGCRBIHRNDKDKQ-ZDUSSCGKSA-N 356.853 4.387 0 40 FIAB Cn1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1=O 32764398 ICZQSHUYCAIRAF-UHFFFAOYSA-N 354.793 4.083 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)Nc1ccc(Cl)c(Cl)c1 32912574 UOZHYZWMTXJRNN-AWEZNQCLSA-N 361.175 4.127 0 40 FIAB C[C@H](C(=O)Nc1nc2ccccc2s1)N(C)Cc1ccc(Cl)s1 32932813 ANZQVZNZKZRZES-SNVBAGLBSA-N 365.911 4.470 0 40 FIAB CSc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33089130 REFQLNKAEDYPOX-LBPRGKRZSA-N 350.443 4.093 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCO4)c2)n1 33124843 SBJFYEROXGVOIV-UHFFFAOYSA-N 367.792 4.086 0 40 FIAB CCOC(=O)c1ccccc1Nc1c(-c2ccccc2O)nc2ncccn12 35616555 LOHSICOHJSSDBH-UHFFFAOYSA-N 374.400 4.022 0 40 FIAB Cc1sc2nc3n(c(=O)c2c1C)C[C@H](Sc1ccccc1)CS3 35682007 OVXJHIOUQVJOML-ZDUSSCGKSA-N 360.529 4.341 0 40 FIAB CCN(CC)C(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182132 SGKYHSKWMRWTQX-UHFFFAOYSA-N 351.475 4.283 0 40 FIAB CNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2F)s1 36392704 QJNQEDABYVODIS-UHFFFAOYSA-N 354.406 4.166 0 40 FIAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2cc(C3CC3)nn12 36615667 WVDWOOPZTHVSBV-UHFFFAOYSA-N 362.216 4.367 0 40 FIAB O=C(NCCC1=CCCCC1)c1nccnc1-c1nc2ccccc2s1 39983209 KLUVVCJAAWRSNK-UHFFFAOYSA-N 364.474 4.374 0 40 FIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 40104249 NTYZDUGWDBGPNH-CYBMUJFWSA-N 371.868 4.457 0 40 FIAB Cc1ccc(C)n1-c1nc(CC(=O)N[C@H](C)c2ccccc2F)cs1 40130369 NNNQKOLENVPHLW-CQSZACIVSA-N 357.454 4.110 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 44880016 ZOILVCBJEPMWFW-PZJWPPBQSA-N 360.542 4.232 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2)ccc1Cl 44901000 IOJCMPZQAHSVOV-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CC(=O)Nc1cccc([C@H](C)OC(=O)CCOc2cc(C)cc(C)c2)c1 48375379 AVAQCKNXNVBBLJ-INIZCTEOSA-N 355.434 4.335 0 40 FIAB Cc1ccc(-c2noc(-c3ccc(=O)n(Cc4ccccc4F)c3)n2)cc1 49007361 GKBNDDSWIFYNAM-UHFFFAOYSA-N 361.376 4.061 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)C1(C)C 58413633 GEYYXHYCGBGAQJ-NXHRZFHOSA-N 355.457 4.003 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 65492754 WBVSOEJLTFEGPO-NSHDSACASA-N 358.492 4.431 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC2CCCC2)C12CCCC2 71282042 MNXVYNMKHLCOQQ-OXQOHEQNSA-N 368.521 4.396 0 40 FIAB c1ncc(Nc2nccc([C@H]3CCCCN3CC3CCCCC3)n2)cn1 72377853 SAFBCJIJGYPLKI-LJQANCHMSA-N 352.486 4.118 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)N[C@H](c3cccs3)C3CCCC3)C2)n1 84286564 PSQXHFJSZPFJDM-RDJZCZTQSA-N 374.510 4.260 0 40 FIAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1 85409661 SKRPNVJHPSPEEW-OAQYLSRUSA-N 361.445 4.049 0 40 FIAB O=C1CCCN1C1CCN(Cc2cccc(OCC3CCCCC3)c2)CC1 93088112 WSUVCTYGQPLXDE-UHFFFAOYSA-N 370.537 4.233 0 40 FIAB CCN(CCC1CCN(C(=O)c2ccc3ncccc3c2)CC1)CC1CC1 95458122 IJKSFVYYKQUHNW-UHFFFAOYSA-N 365.521 4.209 0 40 FIAB O=C(NCCn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1 96099045 SCEJYIUWUURFRY-UHFFFAOYSA-N 367.158 4.030 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(C)c3)[C@H]3C=C[C@H]2C3)c1 100519833 SHWKPSRQAGMRCR-USNOLKROSA-N 360.457 4.319 0 40 FIAB C[C@@]12CC3CC(NS(=O)(=O)c4ccc(Cl)cc4)(C1)C[C@@](C)(C3)C2 100980810 CEPNXBKLSXTQQH-KHCOKFHASA-N 353.915 4.367 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C 219528220 XASCZPULNUWNDV-GOSISDBHSA-N 355.478 4.218 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc3cc(OC)ccc3nc2C)cc1 223138012 ZRSUFEGQKFNNFD-ZDUSSCGKSA-N 350.418 4.051 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 223158128 XWJHKWOKWAPELS-CYBMUJFWSA-N 351.368 4.352 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(C(C)C)C(C)C)cc1 223900339 OXYLQKSXVUJFTF-UYRXBGFRSA-N 368.477 4.156 0 40 FIAB CCCCOCc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCC 224728568 FQACBJVWOAPYTG-UHFFFAOYSA-N 371.433 4.383 0 40 FIAB O=C(NC[C@H]1COc2ccccc2O1)/C(=C/c1ccccc1)c1ccccc1 225238480 ZJUSPMWQCLEPQU-GDUPUGJQSA-N 371.436 4.183 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1 225487028 ZPXAMBWKFKAQDY-MRXNPFEDSA-N 360.479 4.150 0 40 FIAB CCOc1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1OCC 225528543 YMTYYIKBDNUVMU-UHFFFAOYSA-N 366.433 4.249 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 225618229 OHLQAMCVFLSECO-UHFFFAOYSA-N 350.528 4.500 0 40 FIAB CC[C@@H](CNC(=S)Nc1ccc(OC)cc1OC)Cc1ccccc1 225630282 VWTKGFUPHAOMKR-OAHLLOKOSA-N 358.507 4.259 0 40 FIAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225754884 OSSFYCOBDAEISC-INIZCTEOSA-N 367.518 4.478 0 40 FIAB COc1cc2ccccc2cc1-c1nn2c(C(F)(F)F)nnc2s1 226293856 OYLXHFVPBDIFQV-UHFFFAOYSA-N 350.325 4.033 0 40 FIAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 408707748 DMCDESBCWUXHTO-UHFFFAOYSA-N 368.477 4.026 0 40 FIAB CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408709395 SBGARZQTUBJXPT-UHFFFAOYSA-N 368.477 4.244 0 40 FIAB C[C@H](Nc1nc2nonc2[nH]c1=Nc1ccc(Cl)cc1)c1ccccc1 408719487 FGXVEUHHJOWIGI-NSHDSACASA-N 366.812 4.005 0 40 FIAB CC(=O)Nc1c(-c2cccc(Br)c2)cnn1-c1ccccc1 408955166 TUCGTXJLCMNGDW-UHFFFAOYSA-N 356.223 4.260 0 40 FIAB COc1cc(CNC(=O)Nc2ccc(F)cc2)ccc1OC1CCCC1 505963067 UZPIXUBYXJCEBY-UHFFFAOYSA-N 358.413 4.477 0 40 FIAB CC(=O)Nc1cccc(OCCN[C@H]2CCc3cc(F)c(Cl)cc32)c1 527863443 KPGCNBAGYUKLFP-IBGZPJMESA-N 362.832 4.093 0 40 FIAB O=C(CCc1nc2cc(Cl)ccc2s1)N1C[C@H](CO)c2ccccc21 569954418 QLBXSEMRYITDBG-GFCCVEGCSA-N 372.877 4.005 0 40 FIAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)o1 605004646 QBFLXTLWADSULF-SFHVURJKSA-N 372.446 4.077 0 40 FIAB CC(C)Cn1cc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cn1 608334984 ZRVXHIQETDJHSW-UHFFFAOYSA-N 365.481 4.432 0 40 FIAB O=C(NC1(C(F)(F)F)CCC1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 1671016606 GAQIYDIJWGLTDD-KBPBESRZSA-N 368.399 4.255 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCn2c1nc1ccccc12 29377083 HVNRZJATAJUHMI-LBPRGKRZSA-N 357.866 4.217 0 40 FIAB CNC(=O)c1ccc(CN(C)c2cc(C(F)(F)F)nc3ccccc23)cc1 29588916 RARGADUPUCNWLL-UHFFFAOYSA-N 373.378 4.250 0 40 FIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 2620619 XQPNZULGXQAXBB-LBPRGKRZSA-N 368.414 4.137 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1 886775 YBRGUZBUTBKHJL-VBKZILBWSA-N 368.506 4.086 0 40 FIAB Cc1c(Cl)cccc1-n1ccnc1SCc1ccc(C(N)=O)cc1 29916692 VRUGAYAEGZKOMZ-UHFFFAOYSA-N 357.866 4.225 0 40 FIAB CC(=O)[C@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc3ccccc3c2)C1(C)C 3171859 BSAOKGVTDZDSLM-FUHWJXTLSA-N 368.502 4.294 0 40 FIAB Fc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1cccnc1)=N2 4130027 ZUVWAKXPRCEROZ-UHFFFAOYSA-N 350.784 4.308 0 40 FIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1nc(C)cc1C 19943789 SITDEVYTCBEAOL-UHFFFAOYSA-N 370.902 4.268 0 40 FIAB CC(C)(C)CC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1 4922561 JHCYIRWDDMYDOX-UHFFFAOYSA-N 351.494 4.388 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cc(F)c(F)cc2Cl)cc1C 4950402 WNRNUXWSJZOBCI-UHFFFAOYSA-N 359.781 4.417 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(OC(F)F)c(Cl)c1 6332723 PFRYRJPIOHWRRT-UHFFFAOYSA-N 367.779 4.448 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 6348794 DFFIJODUIQSHAS-UHFFFAOYSA-N 354.450 4.192 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc3ccccc3n2)cc1 6558194 CRURKXDSPZNJNG-VUSFMPOISA-N 360.413 4.127 0 40 FIAB c1ccc(Cc2nnc(SCc3nnc(-c4cccs4)o3)o2)cc1 6849799 CBMURAJNPLYOSN-UHFFFAOYSA-N 356.432 4.064 0 40 FIAB C[C@@]12C[C@H](NC(=O)N1c1ccc(F)c(F)c1)c1cc(Cl)ccc1O2 101084891 CIIOONITOBHYGF-WMLDXEAASA-N 350.752 4.388 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8041122 RZCJZYWXSXOVRO-UHFFFAOYSA-N 368.477 4.140 0 40 FIAB Cc1cccc(OC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 826177 JPVGVCPSSUWZQW-UHFFFAOYSA-N 357.365 4.015 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1cccc(Cl)c1 975479 LRWBFZDVJLAUIY-SFHVURJKSA-N 371.845 4.334 0 40 FIAB O=C(CSc1nnc2sc3ccccc3n12)Nc1ccccc1Cl 943204 DQOIDCLNJAALNH-UHFFFAOYSA-N 374.878 4.328 0 40 FIAB CC(C)c1nc2nc(C(F)(F)F)nn2c(N)c1-c1ccc(Cl)cc1 20638438 WDFIUODPXOPUHQ-UHFFFAOYSA-N 355.751 4.169 0 40 FIAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccoc1C 55593558 ITNBHYODPUKACW-KBPBESRZSA-N 354.450 4.267 0 40 FIAB Clc1cccc(-c2nc(COn3nnc4ccc(Cl)cc43)co2)c1 26777521 QOWJBHLEFVEMKQ-UHFFFAOYSA-N 361.188 4.022 0 40 FIAB COc1cc(-c2nc3ncccn3c2NC2CCCCCC2)ccc1O 35606320 HVEIXFODUMQNFS-UHFFFAOYSA-N 352.438 4.245 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)C1(C)C 27131855 LAMACCXDIMSJRB-LZQZEXGQSA-N 352.482 4.025 0 40 FIAB O=C1S/C(=C\c2ccco2)C(=O)N1Cc1ccc(Br)cc1 106724849 VRTXFVSGAMQLHR-JYRVWZFOSA-N 364.220 4.279 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CNc2ccc(C)cc2)C1=O 3208608 KRUPDAQSSMEXJV-BOPFTXTBSA-N 354.431 4.110 0 40 FIAB CC(C)OCCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 22258570 GQUGXRPEPMSPMB-UHFFFAOYSA-N 361.869 4.464 0 40 FIAB Cc1nnc(SCc2c(C(=O)N(C)CC3CC3)oc3ccccc23)s1 58250550 HJASWXJPJPJQEH-UHFFFAOYSA-N 373.503 4.367 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(=O)c2ccccc2o1 3263334 IBIDJJNBRTXEBK-UHFFFAOYSA-N 363.394 4.274 0 40 FIAB COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1F 12621159 WAPSYOASGNVRQQ-UHFFFAOYSA-N 370.449 4.239 0 40 FIAB Brc1ccc(Nc2c(-c3ccco3)nc3ncccn23)cc1 35616567 KBZNVIJEKWCYLA-UHFFFAOYSA-N 355.195 4.495 0 40 FIAB Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1 28236551 IDXFDHNGHGNGCG-UHFFFAOYSA-N 365.385 4.191 0 40 FIAB O=C(NOCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 10318922 PWWPJAHMMGJMFR-UHFFFAOYSA-N 355.397 4.158 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)N2CCC(n3c(C)ccc3C)CC2)cc1F 58441577 UMZWLLSJVHWNHZ-KRWDZBQOSA-N 357.473 4.217 0 40 FIAB CC(C)[C@@H]1Cc2c(sc3nc(-c4ccccc4)n4cnnc4c23)CO1 2223964 YKEXSMROZOCKTA-AWEZNQCLSA-N 350.447 4.103 0 40 FIAB Cc1nc2[nH]c(SCc3cccc(F)c3)nc2cc1Br 2450700 DHSOJVFXHYZDJF-UHFFFAOYSA-N 352.232 4.460 0 40 FIAB O=C(OCc1cc(-c2ccco2)on1)c1ccccc1NCc1ccco1 11330296 OBMKWWDLMJXHSA-UHFFFAOYSA-N 364.357 4.497 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1cc(Br)cs1 48327568 VQPHEKPFBDZWNL-JTQLQIEISA-N 372.259 4.076 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 408705626 KERZXICBEZYWHQ-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1 4586197 MCIIEFAEEXKORM-GFCCVEGCSA-N 364.353 4.147 0 40 FIAB biogenic CC[C@@H](CO)Nc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 5485571 XEORBHXLORFXSB-NSHDSACASA-N 356.495 4.034 0 40 FIAB O=C1N/C(=C/c2cccn2-c2ccccc2)C(=O)N1c1cccc(Cl)c1 9111099 FGYBBCHJDGIADG-QGOAFFKASA-N 363.804 4.228 0 40 FIAB Cc1ccc(Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)cc1 6606409 SPFQKKGSSXZXGV-UHFFFAOYSA-N 369.468 4.366 0 40 FIAB CC(C)Cc1nc2sc3c(=O)[nH]cnc3c2c2c1CSC(C)(C)C2 4785862 SQTPHIXPZYGGGY-UHFFFAOYSA-N 359.520 4.299 0 40 FIAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C(=O)CCC3 4735752 CGROUMZHLSKYRV-UHFFFAOYSA-N 361.444 4.123 0 40 FIAB COc1ccc(/C=C/C(=O)OCc2ccccc2OC(F)F)c(OC)c1 14852182 RHINPNZVZAXRRA-CSKARUKUSA-N 364.344 4.062 0 40 FIAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc2ccccc2c1 6886439 OSEGAWILHTUGHR-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)CSc1ccc2ccccc2c1 6886381 IZTKTLGMRQQCGH-UHFFFAOYSA-N 365.454 4.422 0 40 FIAB COc1cccc(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 7723919 BEHIJYZERXXNAL-UHFFFAOYSA-N 360.385 4.278 0 40 FIAB CN(C)c1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 7719052 YHSWLMUUYBGLDT-UHFFFAOYSA-N 366.461 4.066 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)c(Cl)c1 7709439 CKTZCPYEJZACKW-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB O=C(O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 7884183 SOFNDAODLAEYBG-HXUWFJFHSA-N 358.397 4.152 0 40 FIAB CC1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 8187142 FALLCORNJWLMPK-MRXNPFEDSA-N 373.547 4.219 0 40 FIAB COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 8191679 QZIXYCWQFHQPTM-LLVKDONJSA-N 365.886 4.367 0 40 FIAB CNC(=O)Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 23057149 PANQHEQSUQRCQH-LJQANCHMSA-N 358.869 4.007 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8270686 MHOFMLZOPFGLHT-MRXNPFEDSA-N 358.825 4.480 0 40 FIAB C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(Cc2ccccc2)CC1 8307147 JBOZAHSGUJRGFR-OAHLLOKOSA-N 357.885 4.017 0 40 FIAB Cc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(C)n1C1CCCCC1 95423318 MYISKFYYPGHLQT-AVRDEDQJSA-N 358.526 4.377 0 40 FIAB Cc1noc(-c2ccccc2NC(=O)c2ccc(Br)cc2)n1 22458620 BQAKYVROECEVKT-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 38772011 UNIYUGCSUINOBG-JOCHJYFZSA-N 374.484 4.346 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccccc1F 219589302 CZMMMWFWBQPMCR-IBGZPJMESA-N 361.482 4.341 0 40 FIAB COc1cc(Br)c2[nH]c(-c3ccc(Cl)c(N)c3)nc2c1 216918162 BJJIXRPIJYLWSF-UHFFFAOYSA-N 352.619 4.237 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)c2cccs2)c(Br)c1 40141249 STYBKIBVNIJARZ-VXGBXAGGSA-N 368.296 4.464 0 40 FIAB Cc1ccc(SCCC(=O)Nc2nnc(SC(C)C)s2)cc1 223186343 BDERWVFMUFGUHX-UHFFFAOYSA-N 353.538 4.468 0 40 FIAB CCc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC 223684399 HSDKZGINBHTAQW-UHFFFAOYSA-N 360.262 4.365 0 40 FIAB O=C(NCc1ccc(Cl)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 222601244 NQYKNXMHHMXBKM-UHFFFAOYSA-N 358.228 4.380 0 40 FIAB CC(C)Oc1ccccc1C(=O)NCc1cccc(CN2CCCCC2)c1 224687164 BNUFMIODFWHJLP-UHFFFAOYSA-N 366.505 4.390 0 40 FIAB Cc1cc(N2CCCCCC2)nc(NC(=S)NC2CCCCCC2)n1 226011008 RZQBZWHOTNYDRF-UHFFFAOYSA-N 361.559 4.175 0 40 FIAB CC[C@@H](C)n1ncc(NC(=O)N2CCCC[C@H]2c2nccn2CC)c1C 331621468 NJYIWCPHQVMIOD-PBHICJAKSA-N 358.490 4.138 0 40 FIAB COc1ccccc1CN(Cc1cccnc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C21CC1 248147335 UELDHASLDDVUJP-QHAWAJNXSA-N 374.484 4.221 0 40 FIAB CSCc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 608989865 KKJWOVYWJAPLLN-MAUKXSAKSA-N 368.502 4.098 0 40 FIAB C[C@H]1CN(Cc2csc(-c3cccc(C(=O)O)c3)n2)C[C@H](C)C1(F)F 629365443 XAKGCZMSAAYDJU-RYUDHWBXSA-N 366.433 4.231 0 40 FIAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2csc(C(C)(C)C)n2)cc1 52715199 OFLQVKXHFIBGDX-KRWDZBQOSA-N 373.522 4.052 0 40 FIAB O=C(CCCOc1cccc(F)c1)N(Cc1ccccc1)CC(F)F 72303520 ZDXLNRWQMYBKTF-UHFFFAOYSA-N 351.368 4.279 0 40 FIAB Cc1nc[nH]c1CN(Cc1ccc(F)cc1)C1CC(C)(C)NC(C)(C)C1 12116736 UTCOUNMQQKKCSM-UHFFFAOYSA-N 358.505 4.169 0 40 FIAB COc1ccc([C@@H]2CCCCCN2CC(=O)NCc2ccc(F)cc2)cc1 15105584 DMJFEPKFVJZFKH-NRFANRHFSA-N 370.468 4.068 0 40 FIAB CCOc1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1OC 15949553 WYCSRECIUOZWEC-ZRDIBKRKSA-N 363.457 4.423 0 40 FIAB Cc1ccc(C)c(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]n2)c1 16846822 ANJGQDYXJGAEGI-UHFFFAOYSA-N 360.373 4.139 0 40 FIAB Cc1ccc(-n2ccnc2S[C@H](C(=O)N(C)C)c2ccccc2)cc1C 17535881 MFVDWNVNDWULQD-IBGZPJMESA-N 365.502 4.411 0 40 FIAB CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(C(C)(C)C)CC3)ccc21 19498880 GZXCGAZOPVDIBN-OAQYLSRUSA-N 372.553 4.167 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(N2CCCCC2)cc1 19716086 CUMYNTLDJRVWFB-UHFFFAOYSA-N 360.461 4.174 0 40 FIAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)CC3CCCC3)C2)N1C 643574337 QDCLAEMMDFHGNB-RTWAWAEBSA-N 369.553 4.182 0 40 FIAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@@H](c1ccccc1)c1ccccc12 1565556718 ZFKKOSNZNXEZDU-CTNGQTDRSA-N 361.485 4.119 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1c(F)cccc1F 13695384 MOCHIFLKCNXKJQ-UHFFFAOYSA-N 368.339 4.013 0 40 FIAB CCOc1ccc(Nc2nn3c(=O)c4ccc(Cl)cc4nc3s2)cc1 17308050 LLEQYFPAPRCWIJ-UHFFFAOYSA-N 372.837 4.100 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 38677329 MFUCKUWUDDKTBB-INIZCTEOSA-N 351.372 4.130 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)/C=C/c2cccs2)c2ccsc2)n1 575613384 GRAZZQXTCNAGME-FUTAKVPZSA-N 357.504 4.042 0 40 FIAB COc1ccc(CCNC(=O)NCc2ccc(-c3ccsc3)o2)cc1 575611411 VELWECARUZCMIP-UHFFFAOYSA-N 356.447 4.059 0 40 FIAB COc1cccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)n[nH]2)c1 51315625 RATIQVQXOPUUMY-UHFFFAOYSA-N 361.323 4.356 0 40 FIAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCC(Cc2ccccc2)CC1 20715959 DLRUKLGFDXLNGI-OAQYLSRUSA-N 366.436 4.387 0 40 FIAB CCOc1ccc([C@@H]2NCCc3cc(OCC)c(OCC)cc32)cc1OC 717999 ANWNNBCRMSTVKA-QFIPXVFZSA-N 371.477 4.126 0 40 FIAB biogenic Cc1nc(NCc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 752862 GCIMYJRRGDFACZ-UHFFFAOYSA-N 353.447 4.219 0 40 FIAB Cc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12 984702 ARIVSBNIOGOBJR-UHFFFAOYSA-N 363.804 4.319 0 40 FIAB aggregator O=C(N[C@@H](Nc1cccc(Cl)c1)C(=O)c1ccccc1)c1cccs1 1013823 XPHDBLFLMYDIHR-GOSISDBHSA-N 370.861 4.452 0 40 FIAB CSc1nnc2c3c4c(sc3nc(SC(C)C)n12)CCCC4 2216749 PWLPGMSFBLPIJI-UHFFFAOYSA-N 350.538 4.440 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1C 3224333 BNMZIDKNLNNOQM-UHFFFAOYSA-N 361.316 4.042 0 40 FIAB O=C(COC(=O)c1ccc(F)cc1F)Nc1c(Cl)cccc1Cl 3231788 ZIUYGDZSSAIARH-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB Cc1sc2ncnc(SCC(=O)NCCC3=CCCCC3)c2c1C 3272110 SHPMGVMUCKFSQP-UHFFFAOYSA-N 361.536 4.407 0 40 FIAB CCOc1ccc2oc(C(=O)Nc3ccc(C(=O)OC)cc3)c(C)c2c1 3346905 FVBXDNWILUEHOU-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1 3418857 JHRQQSCROKJBCO-QGZVFWFLSA-N 370.836 4.011 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1cccs1 5292671 YUCGMAFOVIJIMZ-ZDUSSCGKSA-N 368.380 4.010 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(Cl)cc1Cl 5510704 ANSDYFFJKQAODV-LLVKDONJSA-N 354.233 4.258 0 40 FIAB CCOc1cccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)c1 5529548 ZQCVGRHVCDFPIW-UHFFFAOYSA-N 370.865 4.355 0 40 FIAB CCOC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3 5834679 STXUACZSSBLOCT-VWLOTQADSA-N 374.480 4.195 0 40 FIAB CCOC(=O)c1sc2cccc(F)c2c1CSc1cccc[n+]1[O-] 6608001 UIKBLEIBSIMHGW-UHFFFAOYSA-N 363.435 4.143 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3cccc(F)c3)n2)cc1 6887179 OJAKKWNWNICIGS-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB Cn1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 6969648 UJFONUYYCZLOLE-VXLYETTFSA-N 373.437 4.286 0 40 FIAB COc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 7052961 NTNDEBJBSPEQJA-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1 7053409 MZQMEPOZMPZWQJ-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)c1C 7645628 SKRVZQXIDCORKU-CYBMUJFWSA-N 369.446 4.248 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(C)cc1 8041819 QKIJRGBQQQNLBZ-GOSISDBHSA-N 373.518 4.211 0 40 FIAB O=C(NC1CCCC1)c1cn(Cc2ccccc2)nc1-c1cccs1 8076201 CCBGEMSJTPCSGQ-UHFFFAOYSA-N 351.475 4.332 0 40 FIAB COC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1Cc1ccccc1 8134766 JQVHQQBUXJVUIL-GFCCVEGCSA-N 360.866 4.392 0 40 FIAB Cc1sc(NC(=O)COC(=O)c2ccc(F)cc2)nc1-c1ccccc1 8332548 BITIHMARAILSTC-UHFFFAOYSA-N 370.405 4.053 0 40 FIAB CN(C)CCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 8373843 KBIAFVSHPIEBAV-UHFFFAOYSA-N 350.865 4.099 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3C)[nH]2)cc1 8770050 FCBGWIWSXNYPLH-UHFFFAOYSA-N 353.447 4.125 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3cccc(N(C)C)c3)s2)cs1 8780312 FUSMQRPSROITKO-UHFFFAOYSA-N 357.504 4.176 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccccc3C)ccc21 9137304 QDWLTVCTXVXDIB-UHFFFAOYSA-N 366.461 4.092 0 40 FIAB CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 9154371 YBRITWYYDUKMEX-MRXNPFEDSA-N 356.491 4.289 0 40 FIAB C[C@@H](OC(=O)c1ccc2c3c(cccc13)CC2)c1nc(-c2cccnc2)no1 9389198 QUABKCILXQIUKA-CYBMUJFWSA-N 371.396 4.301 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnc(Nc4cccc(C)c4)nc3C2)cc1 9935852 GZHJOKDDKOKNFP-INIZCTEOSA-N 359.429 4.450 0 40 FIAB O=C(NCCCOC1CCCCC1)c1c[nH]c(=S)n1-c1ccccc1 10738446 LCZSEAHJCLDTFV-UHFFFAOYSA-N 359.495 4.004 0 40 FIAB O=C(NCc1ccc(OC(F)F)cc1)c1csc(-c2cccs2)n1 11515166 WQLVWXIDBIRBOJ-UHFFFAOYSA-N 366.414 4.403 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)s1 11637294 MPBRHZSYRWOEFX-CYBMUJFWSA-N 351.497 4.063 0 40 FIAB O=C1CCCN1CC[C@H]1CCCCN1CC1(c2ccc(Cl)cc2)CC1 12364608 WWFFRYGFAUPCII-LJQANCHMSA-N 360.929 4.239 0 40 FIAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1F 12760115 WWVZVIUFQSSDFA-UHFFFAOYSA-N 354.406 4.445 0 40 FIAB COc1ccc(NC(=O)c2occc2COc2ccccc2)cc1OC 12780966 KTRJZMBBORKKLS-UHFFFAOYSA-N 353.374 4.128 0 40 FIAB O=C(Nc1nc2c(s1)CCC2)c1cc(Br)ccc1Cl 12888330 OYSTZVJCMRAFBH-UHFFFAOYSA-N 357.660 4.300 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC(=O)Nc1ccccc1 12891414 BKHWPZGAINQNLB-UHFFFAOYSA-N 367.493 4.154 0 40 FIAB CC1(C)CC(N(Cc2ccncc2)Cc2ccc(O)cc2)CC(C)(C)N1 13992673 RMAZCBGYCOUPJJ-UHFFFAOYSA-N 353.510 4.099 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc(C)c(Cl)c1 14140289 QAFHYCRSZNMQBH-RMKNXTFCSA-N 358.825 4.267 0 40 FIAB CCCCC1CCC(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 14244893 QSSWKPUOGRMYQC-KLHKWILBSA-N 365.539 4.264 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)nc1 14596400 KRHCCNCYHASTDN-UHFFFAOYSA-N 374.746 4.031 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 14713304 LBGJWPUFGBOYPA-GFCCVEGCSA-N 365.433 4.298 0 40 FIAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccc(F)cc1)c1ccccn1 15669870 PFGDAHBOPBPRIY-UHFFFAOYSA-N 374.371 4.174 0 40 FIAB CSc1ncccc1C(=O)OCCOc1c(Cl)cccc1Cl 16694879 JOXOXTXHVOIGIW-UHFFFAOYSA-N 358.246 4.346 0 40 FIAB O=C(NCCSCc1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 18150220 BXSYVRORJOYOFO-UHFFFAOYSA-N 369.515 4.198 0 40 FIAB CCCCOc1ccc(C(=O)[C@H](CN2CCOCC2)c2ccccc2)cc1 19313990 JGYJCRUVWAQTJL-JOCHJYFZSA-N 367.489 4.164 0 40 FIAB CCn1nc(C)c([C@@H](C)NC(=O)c2cccc(N3CCCCC3)c2)c1C 19523771 VDBGRYAZFWDLPF-OAHLLOKOSA-N 354.498 4.001 0 40 FIAB CC(C)/N=c1\ccccn1C(=O)c1cc(-c2ccncc2)nc2ccccc12 23196717 RTRRFDYCVJNXGP-YYDJUVGSSA-N 368.440 4.096 0 40 FIAB Cc1nc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)cs1 24321114 HSGZCYCELQNEGX-UHFFFAOYSA-N 368.458 4.049 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@H]1CCC[C@@H](C(F)(F)F)C1 24758431 XCXJFVCCGAHJOR-KOLCDFICSA-N 353.743 4.095 0 40 FIAB CC(C)CCCNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 25328364 FEVVUPBUKUEXFT-CQSZACIVSA-N 374.428 4.061 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2cc(C)ccc2C)c1 26316103 OUYUCQIFPUUADG-CVEARBPZSA-N 353.466 4.383 0 40 FIAB CC(=O)c1ccccc1Oc1ncnc2c1cnn2-c1ccc(C)c(C)c1 27795908 FHQNIROPTKESEB-UHFFFAOYSA-N 358.401 4.427 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(C)c3n2)s1 27977137 STLHESVNHSCYOT-UHFFFAOYSA-N 352.459 4.053 0 40 FIAB O=C(Nc1ccccc1OC(F)F)c1ccc(OC[C@H]2CCCO2)cc1 28701188 LVHNDLYIOSDKJO-OAHLLOKOSA-N 363.360 4.098 0 40 FIAB C[C@@H](Nc1nc2ccccc2s1)C(=O)NCCCSc1ccccc1 29003214 YJEPNGHEEDXYTJ-CQSZACIVSA-N 371.531 4.395 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc(C)c1Cl 30755688 YFKDSAFBOSQZCP-UHFFFAOYSA-N 372.852 4.101 0 40 FIAB COc1ccc(C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)c2ccccc12 32736626 GNELJECIIYJTEN-OAHLLOKOSA-N 369.461 4.185 0 40 FIAB CCOc1cc(C(=O)Nc2ncccc2C)ccc1OCc1cccnc1 32795600 XKODDKDVSAREDZ-UHFFFAOYSA-N 363.417 4.015 0 40 FIAB O=C(Nc1nc(-c2ccco2)cs1)C1(c2ccccc2)CCOCC1 38677121 PCYQWMOLTKDZBH-UHFFFAOYSA-N 354.431 4.090 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 38857727 KDIKCGDLFQIWJF-INIZCTEOSA-N 365.477 4.129 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40313190 KABQKXKODVCXMR-MRXNPFEDSA-N 362.385 4.308 0 40 FIAB biogenic CCC1=Nc2sc(CC)cc2[C@@H](SCC(=O)Nc2nccs2)N1 41090631 ZRLXRJKBCTUIMK-CYBMUJFWSA-N 366.537 4.181 0 40 FIAB CCCOc1ccc2cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)ccc2c1 41095254 WWDMODXOAHOASI-YWZLYKJASA-N 361.507 4.486 0 40 FIAB O=C(Nc1ccccc1Br)C1(c2ccccc2)CCOCC1 41748630 GKODMIBKCBHZKL-UHFFFAOYSA-N 360.251 4.136 0 40 FIAB C[C@H](NC(=O)Nc1cccc(C(=O)N(C)C)c1)c1cc2ccccc2o1 43992264 YLRZUMQURDGNJN-ZDUSSCGKSA-N 351.406 4.017 0 40 FIAB CCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078625 MUGDPRCLLYUTOK-UHFFFAOYSA-N 350.462 4.118 0 40 FIAB COC1CCN(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)CC1 47788669 IQEGZGFAJPHPMR-UHFFFAOYSA-N 351.450 4.024 0 40 FIAB Cc1noc(C)c1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 53988070 SQWQVAWSEYBSTN-UHFFFAOYSA-N 359.813 4.106 0 40 FIAB CSc1ccccc1NC(=O)Cn1c(-c2ccc(C)cc2)n[nH]c1=S 55544732 MZUSXVBQLKRMKD-UHFFFAOYSA-N 370.503 4.277 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(Oc3cnccn3)cc2)cc1F 56156452 BLYXBGPDHPIXRZ-CQSZACIVSA-N 366.396 4.156 0 40 FIAB COc1cc(CN(C)C(=O)N[C@H]2CCOc3ccccc32)ccc1SC 58268634 CFASCGLRYTWTND-INIZCTEOSA-N 372.490 4.082 0 40 FIAB CC(C)c1nccn1CC1CCN(C(=O)c2nc3ccccc3s2)CC1 62130063 BBKDNRVNDDWPBT-UHFFFAOYSA-N 368.506 4.169 0 40 FIAB NC[C@H](Nc1ccc(Cl)cc1N)c1ncc(C(F)(F)F)cc1Cl 64220216 XTUWBUPVTJVNET-LBPRGKRZSA-N 365.186 4.101 0 40 FIAB CN(C)c1ccc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)cc1F 65852819 ZWLDECNPTTYHBN-MRXNPFEDSA-N 372.440 4.092 0 40 FIAB CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(F)ccc1F 75462994 HTWOLELNSKHHSG-UHFFFAOYSA-N 357.360 4.192 0 40 FIAB CC(C)CN(Cc1nc2c(oc3ccccc32)c(=O)[nH]1)c1cccc(O)c1 81046728 FKZPGIGFOXVCFR-UHFFFAOYSA-N 363.417 4.038 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1cnc(-c2ccccc2)s1)c1ccsc1 95454276 GUPKYCJEUCKJDY-HNNXBMFYSA-N 372.519 4.296 0 40 FIAB O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1S2)c1ccsc1 96230921 YZKKXAFHCRSQHU-UHFFFAOYSA-N 353.428 4.112 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223556434 VFIMBDJXLBYLDT-GOSISDBHSA-N 363.457 4.419 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(F)cc3)cn2)C1 223947868 VUDKAZCTWIJCQB-GASCZTMLSA-N 372.513 4.190 0 40 FIAB COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccc2ccccc2c1 225053708 AZSYUZACJIHMSD-UHFFFAOYSA-N 361.850 4.327 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(F)c(F)c1 225740555 YCNKJJOMGMIMLE-CYBMUJFWSA-N 361.461 4.093 0 40 FIAB COCCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 257245849 IRHVBODWSZRWMZ-GOSISDBHSA-N 367.493 4.185 0 40 FIAB CCOc1ccc(NCc2cc(Br)c(OC)c(OC)c2)cc1 314294581 SNRZSBKVRYIHLZ-UHFFFAOYSA-N 366.255 4.477 0 40 FIAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](c1ccsc1)c1cccs1 390826983 RSVDQKJZCYHSOC-INIZCTEOSA-N 367.492 4.325 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(C(C)(C)C)ccc1O 408621771 NUCAVVJRJQHGQK-UHFFFAOYSA-N 372.490 4.134 0 40 FIAB Cn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2ccccc21 408712989 FIBZELJJRZREQJ-UHFFFAOYSA-N 368.436 4.058 0 40 FIAB COc1cccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)c1 408804532 ASLNILZONDAXDW-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB COC(=O)c1cc(NC(=O)c2cc3cc(OC)ccc3o2)ccc1Cl 409187092 LWVGFZPREDZHAP-UHFFFAOYSA-N 359.765 4.134 0 40 FIAB Cc1ccn(-c2ccccc2NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)n1 578110242 AHDPKYNGCZMEOY-LJQANCHMSA-N 361.449 4.191 0 40 FIAB CCN(C(=O)c1nccc2ccsc12)[C@@H](C)Cc1ccc(OC)cc1 625409550 HPEFNUFMOAJEKM-AWEZNQCLSA-N 354.475 4.398 0 40 FIAB O=C(Cc1cc2ccccc2o1)N[C@]1(Cc2ccc(Cl)cc2)CCOC1 669690047 RSEKMEXOUKWKCX-NRFANRHFSA-N 369.848 4.147 0 40 FIAB Cn1c([C@H]2CCCN2C(=O)Cc2cncc3ccccc23)nc2ccccc21 1333680655 YIHYCZQCGQLWHW-OAQYLSRUSA-N 370.456 4.028 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)o2)c1 882248 TWAAFSMNWUIHGZ-AWEZNQCLSA-N 365.458 4.115 0 40 FIAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(F)c(F)c2)n1 985024 DVABWMDLVGAURZ-UHFFFAOYSA-N 351.360 4.454 0 40 FIAB O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc(Cl)cc1 2407685 ZQLBFJSERBAZSU-INIZCTEOSA-N 370.619 4.060 0 40 FIAB COc1cccc(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)c1 2723109 GCWPWOGJSYFSJK-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB CC(C)OC(=O)c1c(NC(=O)c2ccncc2)sc2c1CC[C@@H](C)C2 2740516 AKKMEQGORMDLPO-GFCCVEGCSA-N 358.463 4.085 0 40 FIAB Cc1cc(C)n(-c2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)n1 3041410 MCFAVXAYQAWVMM-UHFFFAOYSA-N 360.261 4.470 0 40 FIAB O=C(COC(=O)c1cc(Br)ccc1Cl)c1cccs1 3225334 NKONTSAGQFPBLT-UHFFFAOYSA-N 359.628 4.204 0 40 FIAB COc1cc(C(=O)Oc2ccccc2)ccc1OCc1c(C)noc1C 3551394 KACRUVUDSKRWAC-UHFFFAOYSA-N 353.374 4.098 0 40 FIAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1)c1ccccc1 3609866 BUTJOWQIIXZSJG-QGZVFWFLSA-N 374.440 4.195 0 40 FIAB COCCn1c(SCc2ccccc2)nc2sc(C)c(C)c2c1=O 4188117 SJUIAUWCTKCHMT-UHFFFAOYSA-N 360.504 4.014 0 40 FIAB CCOc1ccc(NC(=O)CSC2=NC(C)(C)Nc3ccccc32)cc1 4372198 CHGZKVDZVMSMQD-UHFFFAOYSA-N 369.490 4.365 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1 4484687 MHWLUWCEXPLFNJ-CHWSQXEVSA-N 367.474 4.030 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(C(C)C)cc2)c1 5606733 AERAGXOYERCKHJ-UHFFFAOYSA-N 356.491 4.429 0 40 FIAB CCC(=O)Nc1ccc(C2=NN=C(N[C@H]3CCCC[C@H]3C)SC2)cc1 5981396 DCNNMMRVBTWAFT-CJNGLKHVSA-N 358.511 4.010 0 40 FIAB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccc(Cl)cc3)C2)cc1 6300051 PJNFERWNYPZMNL-SFHVURJKSA-N 370.836 4.191 0 40 FIAB COc1cc(CCC(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1OC 6510274 UAPHDKSMDSKSRZ-UHFFFAOYSA-N 357.450 4.407 0 40 FIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 6965674 YXLYFRWTGOJDFH-XGHQBKJUSA-N 360.413 4.422 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)c1C 7504818 UBBWMEPEVDYQEC-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB CCOc1cc(C(=O)O)ccc1OCc1ccc(Br)cc1 7603940 DWXKJKSWOXAWEF-UHFFFAOYSA-N 351.196 4.125 0 40 FIAB COc1ccc(C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 7643375 BUBUGTYRTXRRFH-GFCCVEGCSA-N 360.866 4.487 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1ccccc1C(F)(F)F 7709434 CDEDKRYDYBEARF-UHFFFAOYSA-N 352.337 4.054 0 40 FIAB O=C(CCc1ccsc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 7784940 MXSDNHCINDBWMR-UHFFFAOYSA-N 358.444 4.172 0 40 FIAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(Cl)c1 7853594 NBLMYXVVZQSGHT-SSDOTTSWSA-N 372.878 4.024 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cccc(NC(=O)CCCC(=O)O)c1 8434564 GTSYXQDUSHLFCQ-UHFFFAOYSA-N 374.824 4.094 0 40 FIAB COc1ccc(C)cc1NC(=O)CSc1ncc(-c2ccccc2)[nH]1 8769919 WBFLZENPGRMULH-UHFFFAOYSA-N 353.447 4.125 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 8782341 MTYMLRGPBNUDON-HZPDHXFCSA-N 366.461 4.200 0 40 FIAB COc1cc(C(=O)N[C@@H](C)C2CC2)ccc1OCc1ccccc1Cl 9533498 CAHIOKIHMZJPRO-ZDUSSCGKSA-N 359.853 4.456 0 40 FIAB O=C(NCCCCOc1ccc(Cl)cc1)N1CCc2ccccc2C1 10912164 FIXOETQBNGFTCY-UHFFFAOYSA-N 358.869 4.267 0 40 FIAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccco3)nc21 12396265 XTEZQTVPYRWRKG-UHFFFAOYSA-N 361.348 4.069 0 40 FIAB CCc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 12782641 JTLSPAAMAVVHNS-HXUWFJFHSA-N 369.461 4.009 0 40 FIAB COC(=O)c1ccoc1CSc1nnc(Nc2ccc(F)cc2)s1 12809013 WWJPSZDEIZRWER-UHFFFAOYSA-N 365.411 4.093 0 40 FIAB CC(C)C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12821321 UMXANRNAABMBOG-NRFANRHFSA-N 364.489 4.260 0 40 FIAB COc1ccc(CCCN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 12887778 STHKFGGBDAFEEA-UHFFFAOYSA-N 371.521 4.311 0 40 FIAB Cc1ccc(CN(C)CCC(=O)Nc2ccnn2C2CCCC2)c(C)c1 13011213 LLOAZXPALYCTPO-UHFFFAOYSA-N 354.498 4.076 0 40 FIAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14399323 FWGIUIXXHGKVSC-CQSZACIVSA-N 355.434 4.177 0 40 FIAB CCCOc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 15080772 LABFJNXHQPEBIX-UHFFFAOYSA-N 366.446 4.317 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2ccccc2c1 16087239 FVRODXKLTRDVPT-LLVKDONJSA-N 365.376 4.297 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(F)c(Cl)cc1Cl 17346389 PZVHOXVZOXVJJD-UHFFFAOYSA-N 371.195 4.352 0 40 FIAB C[C@H]1CN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)C[C@@H](C)O1 18227907 NARZJSZNIYHVQN-GASCZTMLSA-N 359.853 4.168 0 40 FIAB O=C(CSc1cnc2ccccc2n1)c1ccc(Br)cc1 19593713 LLEQSHAJXDSFDD-UHFFFAOYSA-N 359.248 4.367 0 40 FIAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19642672 RJEZDBBJBYPFBJ-PMOQBDJRSA-N 374.528 4.356 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)O)ccc1Cl 20144733 KSUABAPQLUGHIK-UHFFFAOYSA-N 368.216 4.488 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2CC)c1C 20452879 ZCHWUVFCMJXFKD-HNNXBMFYSA-N 355.434 4.140 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cn1 21964586 LBAXNABGIWNMGE-UHFFFAOYSA-N 374.400 4.163 0 40 FIAB O=c1cc(CSc2nc(-c3ccccc3)cs2)nc2sccn12 22216657 WLTSOMSBKJNXKB-UHFFFAOYSA-N 357.485 4.172 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)c1 23194576 VTSUTPHQWJMWAC-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2Cl)c1 24040380 DNHWSZOXOWDPNL-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)[C@@H](C)Sc1ccc(C)cc1 24268826 QFDYBMOPDGNBKZ-OAHLLOKOSA-N 358.459 4.430 0 40 FIAB Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 24525588 PHAZZUPYHJCFDM-OIISXLGYSA-N 357.523 4.356 0 40 FIAB Cc1ccc(NC(=O)c2nnc(CN(C)[C@@H](C)c3ccccc3)s2)cc1 25043458 KOSCDWIGNGWNTK-HNNXBMFYSA-N 366.490 4.292 0 40 FIAB Cc1ccc2cc(C(=O)NCCCc3ccc(N(C)C)cc3)c(C)nc2c1 25140697 ZDVQVKFWBRHJRE-UHFFFAOYSA-N 361.489 4.280 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 26051497 HIBVSXMMKUFFBT-HNNXBMFYSA-N 373.522 4.478 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)N1CC=C(c2ccccc2)CC1 30997329 XOKRGIUOQMFUDG-UHFFFAOYSA-N 350.443 4.262 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)s1 32550232 CHUSAJSRGMLYBM-VIFPVBQESA-N 350.292 4.403 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)c3c(F)cccc3F)c2C)c1 32610117 YWQZCCXXVABOTM-UHFFFAOYSA-N 371.387 4.087 0 40 FIAB O=C(N1CCN(C/C=C/c2ccccc2)CC1)C1(c2ccccc2)CCCC1 35227678 JVMIEGZBVGCUFW-FMIVXFBMSA-N 374.528 4.356 0 40 FIAB C[C@H](OC(=O)c1ccccc1SCc1ccco1)C(=O)NC(C)(C)C 37124418 PZGJHFTZBBNDHS-ZDUSSCGKSA-N 361.463 4.032 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)cc1OC 40288584 GTYAKZYQWCGLRJ-OAHLLOKOSA-N 367.380 4.152 0 40 FIAB CCc1cccc2c(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)c[nH]c12 44599075 IJHQEMZGLJEYDG-PDGQHHTCSA-N 361.470 4.335 0 40 FIAB COc1ccc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c(C)c1 44836892 DXGIAEVQIMZFFE-UHFFFAOYSA-N 358.781 4.064 0 40 FIAB O=C(Cc1cccc(Br)c1)Nc1cccc(Br)c1 50040993 STDYOOVTRJWCLZ-UHFFFAOYSA-N 369.056 4.393 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2/C=C/c2ccco2)cc1 58156812 ODVMTFFSWAMXJM-ARKBFRDHSA-N 360.413 4.424 0 40 FIAB CCCOc1ccc(NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)c(C)c1 63811107 FNXWIVRNQPVPPM-UHFFFAOYSA-N 369.446 4.348 0 40 FIAB CCOC(=O)c1ccc(Nc2ccnc3cc(OC)c(OC)cc23)cc1 64873618 QULWEALCZMRIFS-UHFFFAOYSA-N 352.390 4.172 0 40 FIAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc2ccc(Cl)cc2s1 72406435 RPOLOADPJYMJOW-UHFFFAOYSA-N 368.849 4.447 0 40 FIAB COc1ccc([C@H]2CCCN2c2ccc(S(=O)(=O)C(C)(C)C)nc2)cc1 75107069 KHRMKPVNAKRLEM-GOSISDBHSA-N 374.506 4.004 0 40 FIAB CNC(=O)c1cccc(NC(=O)c2cccc(OC3CCCCC3)c2)c1 78037593 YUGYJIKFHPYUBC-UHFFFAOYSA-N 352.434 4.010 0 40 FIAB [O-][n+]1ccccc1SCc1cc(Cl)ccc1OCc1cccnc1 78943588 JPQXGPDJUYKLAH-UHFFFAOYSA-N 358.850 4.240 0 40 FIAB O=C(CN1CCCc2cc(C(F)(F)F)ccc21)Nc1cccnc1Cl 84357606 NGGUZFFHSNOTPM-UHFFFAOYSA-N 369.774 4.145 0 40 FIAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)C2)CC1 84699908 UQRSQANWYFCMSK-KSZLIROESA-N 374.491 4.326 0 40 FIAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@H](C2CCOCC2)C1 89420056 QPOICTVBPNBDAK-JSGCOSHPSA-N 372.292 4.036 0 40 FIAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 89977205 BXOVHNGEFAFTQO-UXHICEINSA-N 361.489 4.348 0 40 FIAB CN(C)c1ccc(C(=O)/N=c2\sc3c4ccccc4ccc3n2C)cc1 100842156 AYQSXSOTQXGBTJ-DQRAZIAOSA-N 361.470 4.200 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102400343 SAGBPYVMMVLTFX-OWTLIXCDSA-N 352.272 4.012 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2)c(C)c1 216462446 GCSSJQUKQJUSBU-IBGZPJMESA-N 355.434 4.276 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN(C)c1ccccc1 219335767 VAGPNLWZTRTGQB-NRFANRHFSA-N 354.494 4.104 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccccc2C(C)C)c1C 222809821 WCMZLHYVVDVKBH-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222958787 QEQWIBYHKXQGBV-IBGZPJMESA-N 368.477 4.239 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1ccc(OC)c(C)c1 223216034 FRIHVIWNQORCPK-FQEVSTJZSA-N 353.462 4.139 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)C)c(C)c1 223763904 CODUHMVACDFZAT-UHFFFAOYSA-N 361.507 4.093 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1C 224796803 ZOURJUYRMOSGBD-OAHLLOKOSA-N 367.445 4.066 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(NC(C)=O)c1 224995313 ZAPVEETWPVNJLK-OAQYLSRUSA-N 366.461 4.320 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NCc1cccnc1-c1cccs1 225760944 SMTRJVKAPUJBIR-UHFFFAOYSA-N 360.841 4.462 0 40 FIAB COC(=O)c1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1 225862965 AIDQECRHNMKZEF-UHFFFAOYSA-N 360.504 4.291 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2sc(Cl)nc2c1 225978653 GZMPELPQJFZNQP-UHFFFAOYSA-N 355.850 4.404 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1C[C@@H](C)C[C@H](C)C1 226329990 CBGYNTLMYGBBBF-KBPBESRZSA-N 355.457 4.451 0 40 FIAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cccc3ccccc23)nc1 257251595 JRKLXFGOARQQOI-QHCPKHFHSA-N 359.473 4.208 0 40 FIAB Fc1cccc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)c1 306143440 YCHAMSXZXKLQJI-SFHVURJKSA-N 350.441 4.125 0 40 FIAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1C 409020127 MAMMZIDBDYZVBO-XSFVSMFZSA-N 357.413 4.191 0 40 FIAB CO[C@H](CSc1nc2ccccc2c(=O)n1C)c1ccc(Cl)cc1 509099708 OPPFQRUPYDGASZ-MRXNPFEDSA-N 360.866 4.067 0 40 FIAB O=C(Cc1ccccc1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 519327670 JJWQZWFIAPRRLD-QGZVFWFLSA-N 368.235 4.275 0 40 FIAB Fc1ccc2c(C3CCN(Cc4cc(C(F)(F)F)n[nH]4)CC3)noc2c1 571607340 BPRLSYCVJNUYFF-UHFFFAOYSA-N 368.334 4.088 0 40 FIAB CSc1ncccc1C(=O)NC[C@H](c1csc2ccccc12)N(C)C 670630607 YDCVXWGVNADCOE-MRXNPFEDSA-N 371.531 4.051 0 40 FIAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC(C)(C)c1ccncc1 678173088 DXUKWEQIEVSGLO-INIZCTEOSA-N 354.494 4.240 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3csc(C)c3)cs2)cc1OC 1623520572 GDWDENFQDPGBSX-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB Fc1cc(F)c2nc(N3CCC(c4nnc(C5CC5)o4)CC3)sc2c1 1888906465 JGRBJZFPSJYUGJ-UHFFFAOYSA-N 362.405 4.219 0 40 FIAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)o1 11703811 VTMHWDAWUXQBHW-LBPRGKRZSA-N 371.487 4.258 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2[nH]c(C)cc2c1 46059310 BWIARUDRHMZDBO-NRFANRHFSA-N 359.429 4.379 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 2655982 BGUPKVOHYUBWJM-IBGZPJMESA-N 356.441 4.342 0 40 FIAB CCN1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1 21189642 MVBDJRNQNMEDJT-UHFFFAOYSA-N 358.536 4.179 0 40 FIAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)c2ccc(F)cc2)s1 32632685 FFTGLQGOAPZPRO-UHFFFAOYSA-N 351.424 4.184 0 40 FIAB COc1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 6269833 ZATCFKHTSHIJNY-UHFFFAOYSA-N 370.455 4.259 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1cccs1 6747870 LQWIXERBXHBLQT-GOSISDBHSA-N 353.447 4.102 0 40 FIAB c1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)nc1 6784576 IRGQJGYAGRONAJ-UHFFFAOYSA-N 373.485 4.080 0 40 FIAB O[C@](/C=C/c1ccc(Cl)cc1Cl)(Cn1ccnc1)c1cccnc1 18191392 YHAHQXULDGXJHH-DUMMIQTOSA-N 360.244 4.186 0 40 FIAB O=C(CSc1cccc2cccnc12)NCCc1ccc(Cl)cc1 2701349 ZUESEGNFJDXCAN-UHFFFAOYSA-N 356.878 4.339 0 40 FIAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1 12111520 KHVQHJNZZMBTQZ-UHFFFAOYSA-N 357.797 4.430 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 18172613 KKAGALZTOVTWOT-JNKARSBBSA-N 370.884 4.174 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(N)=O)c3ccccc3n2)o1 669421 VMBPZHNVHVCBSK-UHFFFAOYSA-N 371.396 4.154 0 40 FIAB CSc1ncc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1-c1ccc(F)cc1 103468989 DGIZVVZHXWYGHA-AYMQEEERSA-N 373.497 4.288 0 40 FIAB O=C(/C=C/c1nc2ccccc2s1)OCC(=O)c1ccc(F)cc1F 22436831 ZOOXBSKQYHPCDA-BQYQJAHWSA-N 359.353 4.014 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1csc(COc2ccc(F)cc2)n1 24778696 ACGROLAXGFMOCG-UHFFFAOYSA-N 364.348 4.392 0 40 FIAB O=C(c1ccc(Cl)c(F)c1)c1ccccc1I 43210073 BMRBMQRQHZEBLC-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB C[C@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)c1ccc(Cl)cc1 25108436 BRNFPTXOWUWUQX-QFYYESIMSA-N 365.212 4.112 0 40 FIAB O=C1NC2(CCCCC2)N(C(=O)c2ccccc2Cl)C2=C1CCCC2 1443469 MJQFVNWFWQXOAI-UHFFFAOYSA-N 358.869 4.401 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3cc(C)ccc3C)n2)cc1 21168716 AYLJISVDFPMEPR-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)c2ccc(OC)c(F)c2)c1 26045132 RUNYEUITGALRBM-UHFFFAOYSA-N 372.421 4.004 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 3265300 UGRDYNGOFKNOLY-UHFFFAOYSA-N 369.436 4.436 0 40 FIAB O=C(C[C@H]1C=CCC1)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 57994582 ODHMEPVKXKMQNF-HNNXBMFYSA-N 366.427 4.142 0 40 FIAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C[C@@H]2CCCO2)C1 54114186 VEFLWRUBCBKOMP-HNNXBMFYSA-N 365.429 4.428 0 40 FIAB O=C(CN1CCc2sccc2C1)Nc1c(Cl)cccc1C(F)(F)F 10106901 QEZABJFOSDLHNL-UHFFFAOYSA-N 374.815 4.417 0 40 FIAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)c1C 101275314 MJRBIALQZDRZNJ-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1)n1cnc2cc(F)c(F)cc21 58174750 GIXNXNNKZGZJBU-ORAYPTAESA-N 357.404 4.389 0 40 FIAB Cc1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc1 27792848 IJRNJQDBHYPZPN-UHFFFAOYSA-N 370.408 4.343 0 40 FIAB Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccc(Cl)c1 2226864 BOKCLBAKDBPIGS-UHFFFAOYSA-N 355.854 4.304 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c(C)c1 10842002 STNRSCQWRUHRLU-OAHLLOKOSA-N 351.450 4.091 0 40 FIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)cc1F 12792590 IVRUBVMFZVLOTN-CHWSQXEVSA-N 361.486 4.321 0 40 FIAB CC(C)n1ncc2cc(C(=O)N(C)Cc3ccc4ccccc4c3)cnc21 12799014 PTBVQLNYYQTPFL-UHFFFAOYSA-N 358.445 4.438 0 40 FIAB CSc1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)s1 12815370 ZNVDVZULOFHNCR-ZDUSSCGKSA-N 365.549 4.106 0 40 FIAB CC[C@@H](C(=O)N1CCC(Nc2cccc(OC)c2)CC1)c1ccccc1 78832430 DBIUWASGSPPZIP-OAQYLSRUSA-N 352.478 4.292 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2ccccc2F)o1 11658103 SXUIJGALVOODJQ-UHFFFAOYSA-N 368.364 4.305 0 40 FIAB CCn1c(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2ccccc21 8725611 ZZYDPKBRYABNIK-SFHVURJKSA-N 369.465 4.307 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c(OC)c1 23074394 QRAHMRMFEJDUFF-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1 28246365 LATNFXVAJBVDCV-OAHLLOKOSA-N 367.424 4.288 0 40 FIAB Cc1cc(C(=O)Nc2cnn(COc3ccc(F)cc3Cl)c2)c(C)o1 32610237 KZVSYIRHLULWPV-UHFFFAOYSA-N 363.776 4.174 0 40 FIAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2ccc(C)cc2)c1=O 28536899 QAYDITTYNZXTNY-UHFFFAOYSA-N 370.453 4.142 0 40 FIAB Cc1cccc(NC(=O)CCn2ccc3cc(Br)ccc32)n1 13688196 MRTILLHQFWETLO-UHFFFAOYSA-N 358.239 4.136 0 40 FIAB CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1 8903686 IGBPUSUMYZDTAU-SOFGYWHQSA-N 356.403 4.106 0 40 FIAB COc1cc2c(cc1OC)CN(C(=S)Nc1cccc(Cl)c1)CC2 5302914 FBDGHLJXMNDBME-UHFFFAOYSA-N 362.882 4.112 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6430136 LUCITPZZQHZDQP-UHFFFAOYSA-N 355.478 4.392 0 40 FIAB Cc1ccc(-c2csc3[nH]c(=S)n(C[C@H]4CCCO4)c(=O)c23)cc1 6506472 OOORYHQKUKLTLM-CYBMUJFWSA-N 358.488 4.275 0 40 FIAB COc1cccc(-c2cnc(NCc3cccc(Br)c3)n2C)c1 4678406 LDXMTDYOELUGIY-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB COc1ccc(OC)c(NC(=O)COc2c(Cl)cccc2Cl)c1 6918487 XOHWJVRELUTVRT-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB O=C(COc1ccc(F)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 7166536 TZUWWDSTVRRXDR-UHFFFAOYSA-N 363.694 4.395 0 40 FIAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1c(Cl)cccc1Cl 27974378 GJXDCWJHEQIKGG-VIFPVBQESA-N 354.189 4.128 0 40 FIAB O=C(OCc1cc2c(cc1Br)OCO2)c1c[nH]c2ccccc12 7509326 GPAZZTJOEMTOOJ-UHFFFAOYSA-N 374.190 4.016 0 40 FIAB Cc1ccc(C(=O)Nc2cc(F)ccc2F)cc1NC(=O)c1ccco1 9390155 UVFVXZNBFZCGII-UHFFFAOYSA-N 356.328 4.371 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 19819182 QNPMWJWGUJBLSL-UHFFFAOYSA-N 372.428 4.319 0 40 FIAB CC(C)c1noc2ncc(C(=O)OCc3nc4ccccc4s3)cc12 9514201 YUFBNXRAMLQSIK-UHFFFAOYSA-N 353.403 4.313 0 40 FIAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 72277167 DYWQDMZRDQLWLL-YADHBBJMSA-N 374.488 4.125 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)N[C@@H](c3cccs3)C3CCCC3)C2)n1 84286562 PSQXHFJSZPFJDM-DOTOQJQBSA-N 374.510 4.260 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 95395349 QWOFVBNVGJVANF-OAHLLOKOSA-N 354.454 4.143 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cc(C)sc1C 95349610 YGZPDZDORLRCSD-ZDUSSCGKSA-N 355.463 4.050 0 40 FIAB C[C@@H](NC(=O)NC1CCCCCCC1)c1nc(-c2ccc(F)cc2)no1 84667742 ACJDRGQWUTUOON-CYBMUJFWSA-N 360.433 4.349 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)N1CCc2[nH]c3ccccc3c2C1 9956494 QIPREQDSYDQCHD-MDZDMXLPSA-N 368.383 4.367 0 40 FIAB CC(C)c1ccc(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 67206324 SPOUJLLRFIYHAG-UHFFFAOYSA-N 356.897 4.468 0 40 FIAB COc1ccc(CCCNC(=S)Nc2cc(C)cc(C)c2)cc1OC 64936479 XJGBJWFOLNMRNN-UHFFFAOYSA-N 358.507 4.240 0 40 FIAB CCc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCC3)cc1 22407603 LDKHNWVHNNAOGL-NRFANRHFSA-N 355.889 4.163 0 40 FIAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2noc3c2CCCC3)o1 518597651 BRJWCIZPRYHTQE-CXAGYDPISA-N 357.454 4.138 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(F)c(F)cc2Cl)c1 32647608 NEUUXKOLRNDZGL-SECBINFHSA-N 355.768 4.126 0 40 FIAB Cc1cc(S(=O)(=O)N2CCCCC2)c(C(C)C)cc1Br 32602013 NWDPHAPYXAQYCZ-UHFFFAOYSA-N 360.317 4.056 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 31710701 DOGJHALCCMTBIH-DOTOQJQBSA-N 368.477 4.238 0 40 FIAB Cn1ccnc1CN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349997 SMNOFWAMIPHRCY-QGZVFWFLSA-N 350.441 4.001 0 40 FIAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 72350444 DKXRPALCRGEKAM-GOSISDBHSA-N 361.445 4.373 0 40 FIAB CCCN(CC(=O)Nc1ccccc1C)C(=O)C[C@H](C)c1ccccc1 31461199 OAIYIVBUPTYQBO-SFHVURJKSA-N 352.478 4.366 0 40 FIAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN2c2ncccn2)n1 72372552 XPTXJWLEWFUCFT-INIZCTEOSA-N 352.467 4.030 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)c1 219302091 DRFDEDZXEXFGEB-MJGOQNOKSA-N 355.478 4.271 0 40 FIAB CCOc1ccccc1CCCNC(=S)Nc1c(F)cccc1F 225396795 ABKXXHHTOJDVNP-UHFFFAOYSA-N 350.434 4.283 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C)cc2)ccc1Cl 225469077 AQGCFYWPOZZBLQ-GFCCVEGCSA-N 362.882 4.483 0 40 FIAB COC(=O)c1cn(C(=O)CSCc2ccc(C)cc2)c2ccccc12 222570243 VMOOARYICUBHJH-UHFFFAOYSA-N 353.443 4.310 0 40 FIAB CC(C)c1ccc(CCCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225806511 KSLXGAONTVJLBK-UHFFFAOYSA-N 356.491 4.458 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)OC 224999313 XLDMKOKDUAYPTJ-HXUWFJFHSA-N 367.445 4.148 0 40 FIAB COc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1OC 225849826 BTDBCWGPJSZPHP-UHFFFAOYSA-N 356.491 4.460 0 40 FIAB Clc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3)n2)c1 96296206 MYQLCYOCJAEAQC-IBGZPJMESA-N 353.853 4.304 0 40 FIAB biogenic,in-vitro Cc1ccsc1CN1CC2(C[C@H](CCOCc3ccccn3)CCO2)C1 253598598 DSZJPPFFIBQKIM-GOSISDBHSA-N 372.534 4.039 0 40 FIAB O=C1O[C@@]2(CCCN(Cc3ccccc3F)CC2)CN1Cc1ccccc1 257265497 LYWPLRZKZIRLIW-JOCHJYFZSA-N 368.452 4.203 0 40 FIAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cscn4)[C@@H]3C[C@H]21 257307409 SYNGTJKKEQCVFN-RWQQGDIJSA-N 356.491 4.035 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](Cc3nccs3)C2)o1 257266525 MDJWNBZQHQYJEK-CQSZACIVSA-N 368.458 4.166 0 40 FIAB Cc1cc(C)cc(N(CC(=O)Nc2ccccc2)Cc2nnc(C)s2)c1 539118375 BHBLSPMEBJLYMP-UHFFFAOYSA-N 366.490 4.109 0 40 FIAB O=C(NCCCn1ccnc1-c1ccccc1)NCc1ccc(Cl)cc1 85555171 PPTOSEYKJOMNMN-UHFFFAOYSA-N 368.868 4.093 0 40 FIAB CC(C)Oc1cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)ccn1 1128353975 CYJUIQXGASIGNC-UHFFFAOYSA-N 370.380 4.432 0 40 FIAB CCc1nc2cc(N[C@H]3CCN(c4ccc(Cl)cc4)C3=O)ccc2o1 606911153 BUAKCLYDJCBVRG-HNNXBMFYSA-N 355.825 4.261 0 40 FIAB O=C(Cc1cccc2ccccc12)NCCn1ccc(-c2cccs2)n1 96103838 LVPIXTFSPJMQIR-UHFFFAOYSA-N 361.470 4.124 0 40 FIAB O=C(NOCCOc1ccccc1)c1cncc(-c2ccc(Cl)cc2)c1 1159227588 BMSVUKWLGRVWCP-UHFFFAOYSA-N 368.820 4.142 0 40 FIAB COC(=O)N1CC(C)=C(C)CN1C(=O)Nc1ccc(Cl)c(Cl)c1 5415991 GBTKBIDJESAKSX-UHFFFAOYSA-N 358.225 4.161 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2cccc(C)c2)c1 12780968 CWHJFIGDQXIBSR-JTPHSUOKSA-N 351.446 4.389 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 13685585 ZHJGEIRIARLODC-AWEZNQCLSA-N 374.868 4.132 0 40 FIAB CCOc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3)o2)cc1 14721018 YTEWHGLWVABGFP-LFYBBSHMSA-N 369.808 4.441 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CSc2ccc(Cl)cc2)c1 15133171 NVAHCAAYQZJYCY-LBPRGKRZSA-N 365.882 4.327 0 40 FIAB O=C(COc1ccc(F)cc1Cl)Nc1ccccc1N1CCCCC1 18183823 FDEVBIYLQTYSTJ-UHFFFAOYSA-N 362.832 4.487 0 40 FIAB Cn1cc([C@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cc2)cn1 575607429 ONDWLMFMBVRPLP-QGZVFWFLSA-N 365.399 4.125 0 40 FIAB CCn1c(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)nnc1-c1ccco1 8484832 LWGGBFFHGFRWAC-ZDUSSCGKSA-N 367.474 4.410 0 40 FIAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1 875813 HUJHIXDLQNXCHR-UHFFFAOYSA-N 371.849 4.230 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nc2c(Br)cccc2s1 5268489 JYOLAVLHHUTSMW-UHFFFAOYSA-N 365.227 4.379 0 40 FIAB CCCCC1CCC(C(=O)Nc2c(C)nc3scc(C)n3c2=O)CC1 8931816 MALZJBKIUUBDCM-UHFFFAOYSA-N 361.511 4.308 0 40 FIAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2sc(Nc3ccccc3)nc2N1 15110053 ZUTRDYLFJCTHJW-CYBMUJFWSA-N 365.414 4.090 0 40 FIAB Cc1ccc(NC(=O)CSC2=N[C@H]3Nc4ccccc4[C@@H]3N=N2)c(C)c1 38536841 QVZNVWARXNVKHM-ZWKOTPCHSA-N 365.462 4.290 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Br)cn1 5332360 WQKRVYZTUMGXCS-UHFFFAOYSA-N 357.207 4.015 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c1C 24060174 KKQWPZBWQCKNPZ-UHFFFAOYSA-N 370.449 4.061 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1C 11917204 FRRIZRCGHKLSOA-ZDUSSCGKSA-N 371.437 4.367 0 40 FIAB CC(C)(C)c1nc(SCC(=O)N2CCCCCC2)c2ccccc2n1 1342528 LAYIZFDQBBQMQB-UHFFFAOYSA-N 357.523 4.422 0 40 FIAB Cc1cc(-c2ccc(NC(=O)N(C)C)c(C)c2)ccc1NC(=O)N(C)C 1736327 VVMMVPZGCQMVJV-UHFFFAOYSA-N 354.454 4.157 0 40 FIAB O=C(CSCCO)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3363408 XDZDGACBRATLLX-UHFFFAOYSA-N 370.499 4.141 0 40 FIAB CC[C@]1(c2ccccc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 7088424 XVDOOMOFCMIKLF-LJQANCHMSA-N 374.893 4.289 0 40 FIAB Nc1nc(COc2cccc(Cl)c2Cl)nc(Nc2ccccc2)n1 7255959 BXKULQJMFALUIJ-UHFFFAOYSA-N 362.220 4.083 0 40 FIAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC(C)C 7886116 MPDBDEIMKSWQRV-HXUWFJFHSA-N 352.434 4.211 0 40 FIAB CC1(C)C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2O1 10544175 BDCXWYUETPUNCP-LJQANCHMSA-N 367.470 4.421 0 40 FIAB CCC(=O)Nc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)O2 12295879 MIHJZJDEPDAPMK-GFCCVEGCSA-N 358.825 4.003 0 40 FIAB O=C(Cc1coc(-c2ccccc2)n1)N[C@H]1CCCOc2ccc(F)cc21 53368087 YJXAFZYELHNOOV-SFHVURJKSA-N 366.392 4.053 0 40 FIAB O=C(CCSc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 26949929 JRGSDVPQWZBHQF-UHFFFAOYSA-N 368.546 4.471 0 40 FIAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccc(F)cc1 811893 TWEGSKZAXIMHEB-UHFFFAOYSA-N 362.360 4.243 0 40 FIAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1 813969 XULWUJNRHNYSSD-UHFFFAOYSA-N 374.396 4.228 0 40 FIAB CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2 953703 NZTHBWHANVWSRX-UHFFFAOYSA-N 362.520 4.423 0 40 FIAB in-vivo CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12561149 VVJQYDSAXOWMRO-CQSZACIVSA-N 372.490 4.349 0 40 FIAB CN(C)CCNCc1cc(Cl)ccc1OCc1ccccc1Cl 22075815 BPHVDJCLEMJISP-UHFFFAOYSA-N 353.293 4.224 0 40 FIAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1 3208453 DGKPNUFAQHESRY-UHFFFAOYSA-N 367.426 4.463 0 40 FIAB aggregator Cc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1F 3284398 RDJVRBLEALWQAL-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB O=C(Nc1cccc2c1OCCO2)N1CCCCC[C@@H]1c1ccncc1 56720455 SBINZDWKMHEGAQ-QGZVFWFLSA-N 353.422 4.002 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 56851810 FUJRHYVIMWWOQB-STQMWFEESA-N 366.383 4.392 0 40 FIAB Cc1cccc(-c2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)no2)c1 48060972 SMTVSUVCYKTQGL-KRWDZBQOSA-N 369.490 4.288 0 40 FIAB Cc1cccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)n1 103105906 RCXWXEOMHVWGJJ-JDPPGYRCSA-N 363.299 4.453 0 40 FIAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O 2062866 WFZLWCKJBYMTBY-UHFFFAOYSA-N 351.402 4.061 0 40 FIAB Cc1cc(N2CCN(Cc3ccc(F)cc3Cl)CC2)nc(C(C)C)n1 27545127 OCJLDNZTIWOLBQ-UHFFFAOYSA-N 362.880 4.023 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20141191 MYJFVWQIYQKZJL-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB CCCOc1ccc(OCC(=O)Nc2ccc(C)c3ncccc23)cc1 12785519 DCGWMHBTBVYQPO-UHFFFAOYSA-N 350.418 4.350 0 40 FIAB COc1ccc(C(=O)CSc2ncnc3c2oc2ccccc23)cc1 2428273 AEIFFKJSAWZHMF-UHFFFAOYSA-N 350.399 4.360 0 40 FIAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(O)c1 12808720 DQZFLOHFDBFMGH-UHFFFAOYSA-N 350.422 4.156 0 40 FIAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccsc1)c1ccccc1 3419299 NXKSAFDYMCLEFR-OAHLLOKOSA-N 364.470 4.420 0 40 FIAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2cccc(O)c2)C1 49546848 ZRHNOQDAUMSXQL-OAHLLOKOSA-N 353.809 4.414 0 40 FIAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 4193114 RITOAEVJJNZXKJ-IFMALSPDSA-N 357.413 4.333 0 40 FIAB O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1ccc2ccccc2c1 5228799 JEOXTJCMZPYEJE-UHFFFAOYSA-N 371.339 4.237 0 40 FIAB CC(C)CC(=O)Nc1cc(-c2ccccc2)nn1CCOC(=O)CC(C)C 65531129 NAGANVFLGVYATO-UHFFFAOYSA-N 371.481 4.124 0 40 FIAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3C)nc2c1 4599501 IOOSNSQVXXSREU-UHFFFAOYSA-N 353.447 4.416 0 40 FIAB CCOc1ccc(Cl)c(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)n1 65796548 RRCPLYFVNLCUOL-GFCCVEGCSA-N 369.852 4.375 0 40 FIAB O=S(=O)(N[C@@H]1CCSc2ccccc21)C1=Cc2ccccc2CC1 14229758 KMXCXAYCZAZJCD-GOSISDBHSA-N 357.500 4.130 0 40 FIAB COc1cccc(-c2cc(OC(=O)c3ccco3)cc3sc(=O)oc23)c1 5451792 OBLPGWRMZUWSDD-UHFFFAOYSA-N 368.366 4.342 0 40 FIAB COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OC(C)=O)cc1OC 5580394 SYHLHHYIVUPJGA-UHFFFAOYSA-N 368.385 4.019 0 40 FIAB Cc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2O[C@@H](C)C(=O)O)cc1 5557074 QYIIYLRDUQDSFB-AWEZNQCLSA-N 352.386 4.237 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 4804159 CRFPCJZUYOPXIO-AWEZNQCLSA-N 353.447 4.332 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)c(F)c1 6990310 SHSDSVPWAUWLFY-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB COc1cc(C)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1OC 7050714 SJTIPHQIVAHZFC-UHFFFAOYSA-N 363.479 4.111 0 40 FIAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(-c3ccccc3)cc2)c1 15554557 UTZHRKARUFULNH-UHFFFAOYSA-N 365.454 4.151 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1 7410094 XLFQJSJVKTVDCE-CMDGGOBGSA-N 359.781 4.354 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)c3cccc4ccccc34)n2)cc1 7720687 KUWRQSAKTFLRLK-UHFFFAOYSA-N 357.413 4.470 0 40 FIAB C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)NC(=O)Nc1ccccc1 29444253 LTQFDZHSVRUHQA-JTQLQIEISA-N 352.818 4.308 0 40 FIAB O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@H]1C[C@H]1c1ccccc1 28229935 XRYXCTUMHNIZGW-ROUUACIJSA-N 351.837 4.327 0 40 FIAB C[C@H]1C[C@H](Sc2ncnc3cc(-c4ccc(F)cc4)sc23)C(=O)O1 8156986 QUPCMNIAANPPNV-XPTSAGLGSA-N 360.435 4.294 0 40 FIAB CCc1nnc(NC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)s1 16706523 ZPEBHNJJATUIKB-BQYQJAHWSA-N 360.439 4.015 0 40 FIAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1C(F)(F)F 9314161 ZQSGUFOMJRCGSS-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CCO[C@H]1C[C@H](NC(=O)Nc2cccc3cnccc23)C12CCCCC2 72306081 ZFVDFYCYCNJRGU-OALUTQOASA-N 353.466 4.484 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1-c1nn2c(C(C)C)nnc2s1 72405491 CLAXAXDJLPEDFD-UHFFFAOYSA-N 372.885 4.432 0 40 FIAB OC1=Nc2ncn(-c3ccc(F)cc3)c2[C@@H](c2cccc(O)c2)SC1 79490673 URUDRGHDXMRLQY-QGZVFWFLSA-N 355.394 4.141 0 40 FIAB CNC(=O)c1ccc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 89391853 HJHIHWNSJWOCGG-UHFFFAOYSA-N 374.406 4.354 0 40 FIAB Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 89568353 JOATZKBMLYPFAS-HUUCEWRRSA-N 353.372 4.406 0 40 FIAB Clc1ccccc1CNC1(Cc2cc(-c3ccccc3)on2)COC1 67898010 XYXBBZNGZAEIGK-UHFFFAOYSA-N 354.837 4.096 0 40 FIAB biogenic,in-vitro CC[C@@H](Oc1ccccc1OC)C(=O)NCCCc1ccccc1Cl 219557134 AAGCWEJHWAHZFI-QGZVFWFLSA-N 361.869 4.255 0 40 FIAB Cc1cc(=N)[nH]c(SCCCCOc2cccc(C(F)(F)F)c2)n1 515592382 CPSPEGBIZRNGRM-UHFFFAOYSA-N 357.401 4.168 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1 32915734 IKQRSTREDSNDSJ-UHFFFAOYSA-N 373.453 4.111 0 40 FIAB S=C(NCCNc1ccnc2cc(Cl)ccc12)Nc1ccccc1 40828386 IJXCQAXQOXFBCA-UHFFFAOYSA-N 356.882 4.287 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2ccccc2)n1 72360182 FCPJQUZZEQHGFU-LJQANCHMSA-N 373.460 4.209 0 40 FIAB CCCOc1ccc(NC(=O)C(C)(C)Br)c2cccnc12 225880590 FYJRINZBYPLQAB-UHFFFAOYSA-N 351.244 4.136 0 40 FIAB COCc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 223456965 PNNYYGWXRFONSX-UHFFFAOYSA-N 353.846 4.497 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224449559 JAJYCWGFJBMZLT-HXUWFJFHSA-N 373.468 4.476 0 40 FIAB Cc1ccc(CNC(=S)Nc2nc(C)c(Br)cc2Cl)o1 223904391 MCHFPROKVJMLGB-UHFFFAOYSA-N 374.691 4.194 0 40 FIAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225754826 DIUMETUPODFINM-INIZCTEOSA-N 367.518 4.478 0 40 FIAB COC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)cc1Cl 225632504 MCAPAAMBNQUEQH-CQSZACIVSA-N 369.889 4.432 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)n1 148079992 UMRALFUOGMCSJH-UHFFFAOYSA-N 353.853 4.132 0 40 FIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1ccccn1 95476602 DSWJKJXXRXZBSW-SFHVURJKSA-N 367.880 4.069 0 40 FIAB Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 242551208 CBFYIAZWZKXAMG-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB c1cc(CN2CCCCC2)cc(-c2noc([C@@H]3C[C@@H]3c3cccnc3)n2)c1 109570098 RFQPRAKGHXRYIB-WOJBJXKFSA-N 360.461 4.389 0 40 FIAB Cc1cc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)c2ccccc2n1 96122581 YJCVRMQXDOZOCE-IBGZPJMESA-N 372.428 4.292 0 40 FIAB CCOc1ccc(CC(=O)NCc2cccc(Oc3ccccn3)c2)cc1 96122526 MDEIGDIUVMOUBZ-UHFFFAOYSA-N 362.429 4.132 0 40 FIAB C[C@H](NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)c1cccs1 37115811 MLMWYAWYEHVKDM-NSHDSACASA-N 361.467 4.247 0 40 FIAB COc1cccc2s/c(=N/C(=O)c3cc(Cl)sc3Cl)n(C)c12 11847461 WYJIGKDTXLNJCD-SAPNQHFASA-N 373.286 4.358 0 40 FIAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1cccc2ccccc12 12654948 GUWLBIFRGGYUEB-UHFFFAOYSA-N 363.804 4.473 0 40 FIAB Cc1ccc(OC(F)F)c(C(=O)COC(=O)c2c[nH]c3ccccc23)c1 12911768 YPNOVBRCLCJCNN-UHFFFAOYSA-N 359.328 4.117 0 40 FIAB O=S(=O)(Cc1ccc(Br)cc1)NCCC1CCCCCC1 13647870 QNLSGHAXIGTYAT-UHFFFAOYSA-N 374.344 4.229 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(OC(F)F)cc1 16722347 YOSZNIDTVBCAMT-UHFFFAOYSA-N 353.394 4.440 0 40 FIAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)C2CCCCC2)n1 19290037 ZCFJSGBEFOKEPS-IBGZPJMESA-N 352.482 4.116 0 40 FIAB O=C(NCc1nnc(-c2cccs2)o1)C1(c2ccc(F)cc2)CCCC1 19344886 ACGAWJLWYFBQSV-UHFFFAOYSA-N 371.437 4.065 0 40 FIAB CCc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cs1 19522119 CTSYUTXRHGOQMI-GFCCVEGCSA-N 373.503 4.442 0 40 FIAB COc1ccccc1CN1CCCC[C@@H]1c1n[nH]cc1-c1onc(C)c1C 19558011 WJMAOTLTJZSVTJ-GOSISDBHSA-N 366.465 4.417 0 40 FIAB O=C(O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 8378236 GYNZXNANSWRUHX-FNORWQNLSA-N 351.171 4.265 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)NCc1ccc(Cl)cc1Cl 6407493 GXEANAWEOVUEHQ-CMDGGOBGSA-N 366.244 4.340 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 4536831 XNNIVGSJTAKHPG-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@@H](/C(C)=C/c2ccccc2)n2ncnc2N1 12289309 MFGJYTVUQLRNBJ-UPTIQUDWSA-N 371.444 4.261 0 40 FIAB O=C(C1CCC1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 36691915 MQNPDBLCXQUNAK-UHFFFAOYSA-N 359.401 4.303 0 40 FIAB CC1(C)N=C(c2ccc(F)cc2)C(=S)N1C(=O)c1ccc(Cl)cc1 45932963 NMQXVBSGQLAHDH-UHFFFAOYSA-N 360.841 4.488 0 40 FIAB Cc1ccc2nc(SCC(=O)N3c4ccccc4CC[C@@H]3C)[nH]c2c1 40023437 HXMWQIDWFLRBNR-AWEZNQCLSA-N 351.475 4.331 0 40 FIAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cnc2c(cnn2C(C)C)c1 40151153 TZMWJYQMDNAYER-UHFFFAOYSA-N 355.446 4.050 0 40 FIAB CCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)c1ccccc1 40143606 MVGPXIWJGDPGAU-IBGZPJMESA-N 350.462 4.257 0 40 FIAB O=C(NCc1ccsc1-n1cccc1)Nc1nc2ccccc2s1 40155872 YRCNSZAKXGYZJC-UHFFFAOYSA-N 354.460 4.470 0 40 FIAB CC(C)C[C@@H](C)NC(=O)c1ccc(Br)cc1Br 682590 LESOGBOQHAMKDQ-SECBINFHSA-N 363.093 4.376 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 804550 BSUXGZTXJWZSKT-HNNXBMFYSA-N 358.463 4.094 0 40 FIAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1 825799 YVEKYUJVYNNGIM-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB CCOc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1 1198951 XXMQZGUACQVVEI-LFIBNONCSA-N 372.218 4.192 0 40 FIAB C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 2637237 KOEVJDONTZNPCL-GFCCVEGCSA-N 360.841 4.217 0 40 FIAB CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1 3235465 AKOWEDFDPDFZRP-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1ccc(C)c(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1C 3250580 WHCXKTDFVFPALW-UHFFFAOYSA-N 351.490 4.472 0 40 FIAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1 3299228 VFVQWMGVUBTBTB-UHFFFAOYSA-N 352.336 4.458 0 40 FIAB O=C(CSc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 3499142 PFZPIMRAKWBUJG-UHFFFAOYSA-N 365.248 4.195 0 40 FIAB Cc1csc2nc(-c3cccc(NC(=O)COc4ccccc4)c3)cn12 4249057 PZYAZZHRPHOGKE-UHFFFAOYSA-N 363.442 4.389 0 40 FIAB COc1ccc(-c2ccc(SCC(=O)c3ccc(F)cc3)nn2)cc1 4355799 OWISKPFTAGBTOL-UHFFFAOYSA-N 354.406 4.266 0 40 FIAB CCn1c(SCC(=O)NCCc2ccc(Cl)cc2)nc2ccccc21 4484446 UYILVMLENXRESH-UHFFFAOYSA-N 373.909 4.161 0 40 FIAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccccc1 5147297 VDZGHGLKNXBRFG-UHFFFAOYSA-N 351.406 4.383 0 40 FIAB CN(C)CCNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 5246374 XGZGRSCJKCEUBV-UHFFFAOYSA-N 357.461 4.037 0 40 FIAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 5980635 VXZQZCBQALHONX-WEYGHZABSA-N 369.461 4.187 0 40 FIAB biogenic Cc1c(C)n(Cc2ccco2)c2ncn3nc(-c4ccc(F)cc4)nc3c12 6759193 OYWJNUGDAHFMOM-UHFFFAOYSA-N 361.380 4.143 0 40 FIAB CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 6951883 OGTRQKMVHMEZMT-XSFVSMFZSA-N 372.424 4.331 0 40 FIAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)s1 7052701 URUJRDPDOOMCJQ-UHFFFAOYSA-N 366.689 4.273 0 40 FIAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 7078042 UCDYRIURWHUXCP-RKPNYOAGSA-N 361.463 4.188 0 40 FIAB C[C@H](NC(=O)CN(Cc1ccco1)Cc1cccs1)c1ccccc1 7580441 GPSBSDJXUFDPBF-INIZCTEOSA-N 354.475 4.221 0 40 FIAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccc(F)cc2)o1 7963964 XDWYJTHOJOVUPE-UHFFFAOYSA-N 366.392 4.017 0 40 FIAB COc1ccc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)cc1Cl 8126493 OSLHJPQJULJIJW-GOSISDBHSA-N 358.869 4.297 0 40 FIAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CCCCO 8299176 FDLIAZXOUAVHRF-OOYIDZMOSA-N 358.522 4.445 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3cccc4ccccc34)n2)cc1 8728743 PLVWLEHSZIMKNO-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1ccc(F)cc1 8770584 UYFSJKQKFGEPDN-LBPRGKRZSA-N 368.437 4.178 0 40 FIAB C[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccc2ccccc2c1 9051385 PLGRWLQGALEDRK-CQSZACIVSA-N 366.848 4.100 0 40 FIAB COc1cccc2cc(-c3nnc(NC(=O)/C=C/c4ccccc4)o3)oc12 9166729 JUVRIQPYSHMWGG-ZHACJKMWSA-N 361.357 4.143 0 40 FIAB Cc1cccc(CS[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1 9912180 WKBBDAHDLXOHPH-HNNXBMFYSA-N 368.502 4.381 0 40 FIAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCCC2)cc1 10327880 ORVSREXULSTOKO-UHFFFAOYSA-N 368.546 4.254 0 40 FIAB O=c1c2ccsc2ncn1Cc1csc(-c2ccc(Cl)cc2)n1 10620482 VULDVJCZOGUWOD-UHFFFAOYSA-N 359.863 4.283 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1 11607215 YOVZZPULZAMDGK-UHFFFAOYSA-N 370.880 4.187 0 40 FIAB Cc1ccc2cc(CSc3ncnc4c3cnn4C)c(Cl)nc2c1 11682954 ZNSOBCANGRTFQD-UHFFFAOYSA-N 355.854 4.166 0 40 FIAB c1cnc(OC2CCCCC2)c(-c2noc(CN3CCCCCC3)n2)c1 12365416 XOWKSYMCPWGCBQ-UHFFFAOYSA-N 356.470 4.219 0 40 FIAB COC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2Cc1ccccc1 12397191 KXPFOGYAZORZBN-UHFFFAOYSA-N 357.413 4.242 0 40 FIAB COc1ccc2cc(-c3csc(NC(=O)c4cc(C)on4)n3)oc2c1 12443607 CCQPLUIIFFKEKW-UHFFFAOYSA-N 355.375 4.114 0 40 FIAB O=C(NCc1ccccn1)c1ccccc1OCc1ccccc1Cl 12642508 IKNFJVJUXFGPHT-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB O=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1F 12859468 YDAZRQMLINQPQG-UHFFFAOYSA-N 358.207 4.458 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(OC)cc1 13674539 VMVLEKAZMYBUCG-HXUWFJFHSA-N 371.477 4.000 0 40 FIAB CC(C)c1nc2oc3c(=O)n(CCc4ccccc4)cnc3c2c2c1CCC2 13725018 VJSROFDQEZALLJ-UHFFFAOYSA-N 373.456 4.393 0 40 FIAB O[C@@]1(c2ccc(Cl)cc2Cl)CN2C=CC=CC2=[N+]1Cc1ccccc1 13799118 CBKPVWKMUGYFAL-HXUWFJFHSA-N 372.275 4.149 0 40 FIAB Cc1cccc(OCc2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 13956869 UZADKRFGWXXXSN-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c1 14134662 NRHKOQPXAWQCHX-UHFFFAOYSA-N 365.458 4.258 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 14257538 ZZHDHIQSJOYBJE-UHFFFAOYSA-N 355.246 4.134 0 40 FIAB CCCCn1c(SCc2ccc(OC)cc2)nc2ccccc2c1=O 14705708 QKPURDSHKQBOCE-UHFFFAOYSA-N 354.475 4.498 0 40 FIAB CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 15612717 ZMLQJJCEXXWRJD-UHFFFAOYSA-N 368.418 4.026 0 40 FIAB CCc1nc2sc([C@H](c3ccccc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 16690093 KTKLQWDPJBNKQB-VBQJREDUSA-N 370.522 4.126 0 40 FIAB Cc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c2c(C)noc2n1 19662730 DTSLBHSAQBFICO-UHFFFAOYSA-N 363.421 4.266 0 40 FIAB CC(C)CC(=O)N1CC[C@@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 19704559 JNQBQSJXPRNVHG-CQSZACIVSA-N 361.873 4.004 0 40 FIAB Cc1cc(C)cc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)c1 21170892 KICYLYAMQZEUPJ-NRFANRHFSA-N 372.553 4.329 0 40 FIAB CCCCC[C@H](C)NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 21248092 SQQPQJMYWOURAE-HNNXBMFYSA-N 358.482 4.498 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 22514422 QPIJAEJCSFYWQI-CVEARBPZSA-N 368.477 4.183 0 40 FIAB C[C@@H](NC(=O)c1cccnc1SCC(F)(F)F)c1ccccc1F 22884607 UIXPVTSLBLNVIP-SNVBAGLBSA-N 358.360 4.366 0 40 FIAB CC(C)c1c(C(=O)Nc2ccc3c(c2)OCO3)cnn1-c1ccc(F)cc1 24475657 GYIUIVFNHQQBTB-UHFFFAOYSA-N 367.380 4.116 0 40 FIAB Cc1c(N)ccc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c1C 24927145 SOXOCESBHQNEDY-INIZCTEOSA-N 352.381 4.294 0 40 FIAB C[C@@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 24989612 QMMLGSKCWJTUHD-NOZJJQNGSA-N 356.369 4.227 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccccc1 25322840 ZQNQGKPJCMPFLC-OAQYLSRUSA-N 350.462 4.331 0 40 FIAB CCOc1ccc(NC(=O)c2coc3cc(C)c(Cl)cc3c2=O)cc1 27748913 ZYTINKIVSVFYKW-UHFFFAOYSA-N 357.793 4.406 0 40 FIAB O=C(/C=C/c1cccs1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 31984507 DDIJQQOYWWXWBT-ZHACJKMWSA-N 361.488 4.116 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCc1cccc(Cl)c1 32678672 LVPHSMFFCOUYJA-UHFFFAOYSA-N 355.865 4.151 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)c2ccoc2)C1 32764565 HHVCMGSFIPYBCD-QGZVFWFLSA-N 374.440 4.022 0 40 FIAB Cc1ccc(OCCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1C 32769293 ULFRXYPXGNXXJQ-UHFFFAOYSA-N 352.434 4.060 0 40 FIAB CC(C)(C)[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 32832747 NLSXXVGXKRSXGQ-WIYYLYMNSA-N 364.489 4.481 0 40 FIAB CSc1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33089131 REFQLNKAEDYPOX-GFCCVEGCSA-N 350.443 4.093 0 40 FIAB Nc1c(C(=O)Nc2ccccc2)sc2nc3cc4c(cc3cc12)OCO4 35311081 DRZVELQTFWCRAK-UHFFFAOYSA-N 363.398 4.013 0 40 FIAB CO[C@@H](CNc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1 36394391 FUJGOQJOPWZFEU-FQEVSTJZSA-N 356.429 4.491 0 40 FIAB Cc1c(-c2nc(-c3ccc4c(c3)OCO4)cs2)nnn1-c1ccccc1 38486820 GTTGRYVZPCPNDF-UHFFFAOYSA-N 362.414 4.095 0 40 FIAB CSc1ccc(CN(C)C(=O)CCc2c(C)nn(CC(C)C)c2C)cc1 39996383 PDTQNHUCDBYPPY-UHFFFAOYSA-N 373.566 4.469 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)n1 40042981 WEKINPYRTBUFDQ-CYBMUJFWSA-N 353.447 4.161 0 40 FIAB Cn1ccnc1-c1cccc(NC(=O)CCc2nc3ccccc3s2)c1 40148986 HTTNTKGAANBSSJ-UHFFFAOYSA-N 362.458 4.268 0 40 FIAB Cc1ccc([C@@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccccc2)cc1 40158763 SODWBPXTPWJFSV-IBGZPJMESA-N 366.442 4.128 0 40 FIAB CC(C)CN1CCC(NC(=O)Nc2ccc(OC3CCCC3)cc2)CC1 44323115 IGEXKWQAAFMENN-UHFFFAOYSA-N 359.514 4.250 0 40 FIAB Cc1cc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)on1 49544974 BSYVZWLQEVZCNW-UHFFFAOYSA-N 354.840 4.166 0 40 FIAB C[C@@H](Nc1cccc2c1OCCO2)C(=O)Nc1cc(Cl)ccc1Cl 55156692 MLTMSAPDVNEXCI-SNVBAGLBSA-N 367.232 4.204 0 40 FIAB O=C(Nc1cnccc1Oc1ccccc1)c1cccc(N2CCCC2=O)c1 65529851 BYXHFWPDGAPHPQ-UHFFFAOYSA-N 373.412 4.253 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2ccccc2N2CCCCCC2)s1 69492950 PYXMDCBVUJLJHL-UHFFFAOYSA-N 358.511 4.496 0 40 FIAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl 72228891 NPCDPTUDLAJGLL-UHFFFAOYSA-N 361.232 4.443 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)s1 75093592 PUXTXLVMHVJXGB-UHFFFAOYSA-N 359.472 4.154 0 40 FIAB Cc1ccc(-c2noc(COC(=O)[C@H]3CCCc4ccccc43)n2)cc1F 84185435 GCLXOEVAYXMZMT-KRWDZBQOSA-N 366.392 4.347 0 40 FIAB CC(C)[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 91033653 BNBHTMJFCQJHGX-HKUYNNGSSA-N 371.868 4.153 0 40 FIAB O=C(Nc1ccc(I)cn1)c1cccc2ccccc12 105867166 NGOOYNMJQZYCHM-UHFFFAOYSA-N 374.181 4.092 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)cc(C)c1Br 218837277 RHXVZBPQELLWGO-UHFFFAOYSA-N 370.193 4.362 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN(C)c2ccccc2)c1 219305018 MVPCFSIEORSKNJ-IBGZPJMESA-N 354.494 4.022 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 219587224 BQYUUDBAUAHVBC-LJQANCHMSA-N 371.477 4.265 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 222965054 AHDONPZXYSHBIH-XLIONFOSSA-N 371.477 4.053 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCCOc2cc(C)ccc2C)c1 223978673 YVRBTEHPSRQZDM-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB Cc1ccc(OCCCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224150360 ADDFCXMMQGMBQQ-UHFFFAOYSA-N 361.869 4.311 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1Cl 224163487 DFCAUSMXOMJWCU-ZDUSSCGKSA-N 368.260 4.264 0 40 FIAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 224333440 AKBXXMFGZOGURJ-LJQANCHMSA-N 366.505 4.036 0 40 FIAB O=C(Cc1ccccc1F)NCCSCc1c(F)cccc1Cl 225445246 HQACAITYCLEUFK-UHFFFAOYSA-N 355.837 4.210 0 40 FIAB CCCO[C@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 225671885 SSPSMPACPVFOGS-QFIPXVFZSA-N 374.525 4.085 0 40 FIAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(F)c(Cl)c1 225799837 RNDMOSYWQJGDOW-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB CC(C)N1CCC(c2ccnc(N3CC4(CCCCC4)OC3=O)c2)CC1 257216013 CSRSAGUKPUEPJB-UHFFFAOYSA-N 357.498 4.329 0 40 FIAB COc1ccc(-c2ccc(OC(=O)c3ccccc3Cl)nn2)cc1OC 408529869 HTJATUAQFJEPOQ-UHFFFAOYSA-N 370.792 4.033 0 40 FIAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 408561993 MMUBESHLLJXRRF-XDOYNYLZSA-N 370.449 4.434 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)cc1 408614437 CFTJCGTYXPHTMX-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 408629199 PMJLSXRKWAEYME-LBPRGKRZSA-N 372.490 4.013 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3c(C)cccc3C)c(=S)o2)cc1 409170326 UIPACSFKQYMMTH-UHFFFAOYSA-N 353.447 4.437 0 40 FIAB Cc1nn(C[C@H](C)C(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 409412803 HLAXCQGDAIXBDX-QITMVQFJSA-N 365.521 4.143 0 40 FIAB CCc1cc(N2CCC[C@H](N[C@H](C)c3ccc(OC)c(Cl)c3)C2)ncn1 536865842 XDMNFMBQRRFVFC-PBHICJAKSA-N 374.916 4.021 0 40 FIAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1ccc(C)s1)CC2 585103039 LBWPRDPNJMLMNU-GOSISDBHSA-N 374.550 4.010 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NC[C@H](O)c1csc2ccccc12 585372741 WKTMUXZMQUMFEF-INIZCTEOSA-N 363.841 4.086 0 40 FIAB COC(=O)c1nccc(S[C@@H](c2ccccc2)c2ccc(F)cc2)n1 1612304076 FIACVYDABQOQNB-KRWDZBQOSA-N 354.406 4.284 0 40 FIAB CCCSCc1nnc2sc(-c3cccc(Br)c3)nn12 1772491438 RTDFRRBNROCDQT-UHFFFAOYSA-N 369.313 4.259 0 40 FIAB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1F 1775965348 ZYTKECZMAHQDQY-PKNBQFBNSA-N 352.365 4.175 0 40 FIAB C[C@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C)CO2)=N1 1988181077 QLKVFJMNSOTHCC-ROUUACIJSA-N 362.473 4.093 0 40 FIAB NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCCCC2 668667 VDJNWWYENHIXLX-UHFFFAOYSA-N 362.882 4.412 0 40 FIAB Cc1nc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c2c(C)c(C)sc2n1 1333026 OFFHQWNGXLENEJ-QWRGUYRKSA-N 363.552 4.498 0 40 FIAB COc1ccc(NC(=S)N2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 1336867 LNKRIYLNYHBQOG-UHFFFAOYSA-N 368.502 4.295 0 40 FIAB Fc1ccc(OCc2nc(CN3CCc4ccccc4C3)cs2)cc1 32797108 CANKXBDCQJQYRV-UHFFFAOYSA-N 354.450 4.420 0 40 FIAB COc1ccc(C(=O)Nc2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 3651739 OVRBAILKBMVZDL-UHFFFAOYSA-N 366.442 4.178 0 40 FIAB CC[C@H](NC(=O)c1ccc2cc(OC)ccc2n1)c1ccc(OC)cc1 32868851 MBBLOOAJANJMEE-SFHVURJKSA-N 350.418 4.133 0 40 FIAB CCOc1cc2c(cc1COC(=O)c1ccc(C(C)=O)s1)O[C@@H](C)C2 32850461 IZVRDQKSLKDUJE-NSHDSACASA-N 360.431 4.030 0 40 FIAB Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)no1 32837039 FGXVXXLUQIFTAQ-UHFFFAOYSA-N 358.344 4.428 0 40 FIAB Cc1noc(C)c1COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 6200471 KWZPJHSWWIPURZ-GFCCVEGCSA-N 350.418 4.321 0 40 FIAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2OC)cc1 7388758 CUOUOSHKSABLFI-ZDUSSCGKSA-N 372.490 4.344 0 40 FIAB Cc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 102575509 PAJBLMNPLBXPTD-VFNWGFHPSA-N 372.428 4.357 0 40 FIAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 7882562 CUZJXUOSMSHEBA-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)CC2=O 100931847 SOUKUVDXRWCDMF-IRXDYDNUSA-N 355.356 4.309 0 40 FIAB CCCn1c(SCC(=O)N(C)C2=CCCC2)nnc1-c1cccc(C)c1 32906916 NYYVALMHHKAGGL-UHFFFAOYSA-N 370.522 4.282 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1 8041614 HWKXOEQSGBKMQG-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)cc1C 21806662 OBRGKBXPTDBZMB-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(F)c(F)c1 33326324 VDCRFRNPNAHOJU-UHFFFAOYSA-N 360.385 4.182 0 40 FIAB CCCCC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 3041644 LUMWENSBLAYXRF-UHFFFAOYSA-N 353.249 4.332 0 40 FIAB O=C(Nc1ccncc1)c1cn(Cc2ccccc2)nc1-c1cccs1 12534643 ACCLHQHXPVEKBQ-UHFFFAOYSA-N 360.442 4.307 0 40 FIAB CCCn1c(NC(=O)c2ccccc2Br)nc2ccccc21 12563781 ONLFXGPJDNCLEY-UHFFFAOYSA-N 358.239 4.461 0 40 FIAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccccc23)cc1 940227 WJKFVGHZOWDVLH-UHFFFAOYSA-N 364.401 4.332 0 40 FIAB O=C(CCC(=O)c1cccs1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 54626897 AZHSZCMRYNJWES-UHFFFAOYSA-N 365.414 4.486 0 40 FIAB O=C(CN[C@@H]1CCCc2ccccc21)Nc1ccccc1Br 3283065 YINGCJSGZDFBSW-MRXNPFEDSA-N 359.267 4.055 0 40 FIAB CCCOC(=O)c1ccc(Oc2coc3cc(OC)ccc3c2=O)cc1 2157813 SJPVMDYZVBSAGA-UHFFFAOYSA-N 354.358 4.161 0 40 FIAB biogenic CC[C@H](C)[C@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 36391753 UYJAPWGSCOBTLR-YRNRMSPPSA-N 373.518 4.097 0 40 FIAB CN(C(=O)Cn1ccc(C(F)(F)F)n1)C1CCC(c2ccccc2)CC1 58702622 LQFJHVLLFVCVQN-UHFFFAOYSA-N 365.399 4.087 0 40 FIAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCC1CCCC1 2315953 BTWVXUAJWSTMBF-UHFFFAOYSA-N 358.438 4.262 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 3431910 WAAZHZZTZUJHAK-UHFFFAOYSA-N 362.832 4.142 0 40 FIAB Cc1csc(NC(=O)COc2ccc(OCc3ccccc3)cc2)n1 3562082 VNCAXYZBNGCGGN-UHFFFAOYSA-N 354.431 4.048 0 40 FIAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(C(=O)N(C)C)cc1 13057461 IWNBZUXGTCVBOD-UHFFFAOYSA-N 374.868 4.148 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)O)nn1-c1nc2ccccc2s1 13984323 CFYOJKXZFPAJJY-APBUJDDRSA-N 353.447 4.355 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 28502532 MHLRDLTWECQTBE-UHFFFAOYSA-N 365.260 4.267 0 40 FIAB Cc1cc2oc(=O)c(CC(=O)NC3CC3)c(C)c2c2occ(C(C)(C)C)c12 5346172 FQUOZAXEJBPYKO-UHFFFAOYSA-N 367.445 4.275 0 40 FIAB O=C(O)[C@@H]1CS[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 408817429 WFIUUGHHKOHUKA-FUHWJXTLSA-N 372.877 4.131 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)N[C@H]3CCSc4ccccc43)c2O1 6654619 XVDWPMHVIWBLRN-INIZCTEOSA-N 369.486 4.132 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(I)cc2)c1C 5637572 CFHPGJOMCONBIL-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 14784693 DBXVEMGANNJJFR-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc2c(c1)oc1ccccc12 409005393 ZTWGHFPQGBCIHZ-UHFFFAOYSA-N 354.406 4.439 0 40 FIAB Cc1cc(OCC(=O)OCc2coc(-c3cccs3)n2)ccc1Cl 5994050 NDTLSUJWVIKTKD-UHFFFAOYSA-N 363.822 4.487 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccccc3F)cs2)cc1 15832526 RBCONUFEXBDLNW-AWEZNQCLSA-N 370.449 4.341 0 40 FIAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(C)ccc1OC 7681398 IAIUWWGYSAJAOD-UHFFFAOYSA-N 360.885 4.426 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7928279 XHXSIYXVYKRIBD-MRXNPFEDSA-N 370.880 4.456 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2cc(Cl)ccc2o1 9385099 ZSDNYZBAZFUSHP-UHFFFAOYSA-N 358.781 4.306 0 40 FIAB COc1cc(NC(=O)c2cccnc2Nc2cccc(F)c2)cc(OC)c1 83920143 YLKKZMPDYIILDB-UHFFFAOYSA-N 367.380 4.234 0 40 FIAB C[C@@H](C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)n1cccn1 83927633 ZDIYYGCBPOGMNJ-YWZLYKJASA-N 365.502 4.290 0 40 FIAB CCc1ccc(CNC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 72333807 JPUNKQZURRFAHN-UHFFFAOYSA-N 366.244 4.029 0 40 FIAB O=C(NCCc1ccc(O)cc1)c1csc(-c2ccc(Cl)cc2)n1 84398116 PYGIKQKROLVCOT-UHFFFAOYSA-N 358.850 4.142 0 40 FIAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c1 408652665 DRYZAELSABCGKO-LJQANCHMSA-N 359.425 4.415 0 40 FIAB O=C(c1cccs1)C1CCN(C(=O)c2cc3ccccc3cc2O)CC1 95963647 ALVPNFKEVNCKOB-UHFFFAOYSA-N 365.454 4.342 0 40 FIAB Cc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)c1 306143209 XWJYUFVRTKFMEG-OAQYLSRUSA-N 365.502 4.095 0 40 FIAB CC(C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409174429 TVLNEYOOCZEQPO-GZTJUZNOSA-N 356.809 4.225 0 40 FIAB Cc1cccc(C)c1NC(=O)Cn1nc(COc2ccccc2)oc1=S 409168217 LLZGGMPSWQSZCR-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2)cc1 409102522 YKCBEPAUHQWJPY-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@H]2Cc3ccccc3S2)sc(C)c1C 32878835 PGQBBUOYZOLGOS-CQSZACIVSA-N 361.488 4.197 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCN(Cc2csc3ccccc23)CC1 32757239 KXSQUUDGSBTBJR-UHFFFAOYSA-N 372.440 4.138 0 40 FIAB CC1CCC(C)(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1 504689782 JJOVUHSTNNWCID-UHFFFAOYSA-N 362.477 4.178 0 40 FIAB CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(Br)c1 216818002 GHWIIASXPQDHDL-UHFFFAOYSA-N 353.187 4.344 0 40 FIAB Cc1cc(C)c(OCC(=O)n2c(C)c(CO)c3ccccc32)c(Cl)c1 216791528 WBVAUTLWBGJHAD-UHFFFAOYSA-N 357.837 4.431 0 40 FIAB CCCN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371198 DJJGZALKFKINQI-CQSZACIVSA-N 367.415 4.249 0 40 FIAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)C(C)(C)c1ccccc1 32754748 OQOISHABTQNBLZ-UHFFFAOYSA-N 357.404 4.368 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)C2CCCC2)n1 72360314 NBWPMRZBMPEPNZ-GOSISDBHSA-N 365.481 4.086 0 40 FIAB Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)C(C)C)CC2)cc1 72260011 MQDQEOTYSYNVOD-JOCHJYFZSA-N 350.506 4.193 0 40 FIAB Cc1ccc(N2CCC(C(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 219863124 DLZYTAAJSSXZCP-UHFFFAOYSA-N 366.505 4.315 0 40 FIAB Cc1ccccc1CC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106739 JOIYLPLFRXVJEL-UHFFFAOYSA-N 358.441 4.106 0 40 FIAB CCCCCNC(=S)Nc1nc(C)cc(Nc2ccc(OCC)cc2)n1 225200833 PMBRSLMLTSHDHW-UHFFFAOYSA-N 373.526 4.404 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224134220 JKPFIYZYNFXSLJ-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC)c2ccc(OC)cc2)c1 225489400 IYWXBHXPJIKWNG-SFHVURJKSA-N 372.490 4.310 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCCC2)cc1 224927341 DWPXLAZHVPLEBR-SFHVURJKSA-N 354.450 4.092 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223076525 DGVSZEAJJUUKDD-NRFANRHFSA-N 357.519 4.445 0 40 FIAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 222650145 ZLEOEDSWQXTFTO-QGZVFWFLSA-N 367.489 4.436 0 40 FIAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222730586 NZGDXHGHXPXPNX-ZWKOTPCHSA-N 368.893 4.128 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)COc1ccccc1C 222969804 ZOVLKIOYAOWSJC-OALUTQOASA-N 355.478 4.353 0 40 FIAB CCOc1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2C)cc1 223142876 XFHQQDGRFDDMAT-UHFFFAOYSA-N 363.417 4.112 0 40 FIAB O=C(c1ccc(CN2CCSCC2)cc1)c1ccccc1C(F)(F)F 85651280 RIDBNHVWMZWDRC-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(C)cc2)c(C)c1 225388949 SJZRDHSAOKJSNA-UHFFFAOYSA-N 370.518 4.399 0 40 FIAB Cc1nn(-c2ccccc2)c2c1CN[C@@H](c1cccc(F)c1)c1cccn1-2 96077918 XKSVAYNUQUTKKS-NRFANRHFSA-N 358.420 4.303 0 40 FIAB Fc1cccc(CN2CCC3(CCN(Cc4ccncc4)CC3)CC2)c1 96047238 AJUJPVYSWHTDMA-UHFFFAOYSA-N 353.485 4.099 0 40 FIAB Clc1ccccc1Cc1cnc([C@H]2CCCN(c3ncccn3)C2)o1 257219806 DIFXUIPCQOFIAH-HNNXBMFYSA-N 354.841 4.093 0 40 FIAB O=C(NCCn1cc(-c2ccccc2)cn1)Nc1cccc(C(F)(F)F)c1 253472268 LDIUTKCDUUVEEI-UHFFFAOYSA-N 374.366 4.391 0 40 FIAB CCCOc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(C)=O 257246618 IUXGSNLPTXUGHW-DDRMBWNKSA-N 371.521 4.494 0 40 FIAB OC[C@@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccccc21 675748016 YSYYMXQAOXHKJH-ZHRRBRCNSA-N 359.473 4.220 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C#N)C1 70686567 RTAURWUNGUYMPA-IMHAECHTSA-N 359.510 4.215 0 40 FIAB biogenic O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc2ccccc2n1 1294666255 YFTUUPVATQJWOH-UHFFFAOYSA-N 350.328 4.155 0 40 FIAB Cc1ccc(CNC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)s1 114922461 MHTAJWPMKMSFBT-UHFFFAOYSA-N 354.479 4.022 0 40 FIAB CC(C)[C@H](O)[C@H](NC(=O)c1cccc(C(F)F)c1F)c1ccccc1 585123967 TZVIBMGNPPBLKC-SJORKVTESA-N 351.368 4.251 0 40 FIAB Fc1cc(I)c(Br)c(C(F)(F)F)c1 169795578 DLBDCOBBKCQGDS-UHFFFAOYSA-N 368.893 4.212 0 40 FIAB CCCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC 2071178 POVSZJHQDVIEPF-ATVHPVEESA-N 351.402 4.137 0 40 FIAB Cc1ccccc1Cn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 5235866 DAWRQUWSZFWXQN-UHFFFAOYSA-N 373.431 4.462 0 40 FIAB Cc1ccc(N(Cc2ccccc2)C(=O)[C@@H]2COc3ccccc3O2)cc1 5269928 MZSYEFINXLMXER-QFIPXVFZSA-N 359.425 4.368 0 40 FIAB CCCCN(CCCC)C[C@](C)(O)CNc1cc(OC)cc2cccnc12 5837785 HTFQGDNSKYUEPU-JOCHJYFZSA-N 373.541 4.309 0 40 FIAB O=C(O)c1ccc(CNCc2ccccc2OCc2ccc(F)cc2)cc1 16449726 CXHNQSDPZXUNCD-UHFFFAOYSA-N 365.404 4.393 0 40 FIAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1F 18068383 KJVSNYCQSQRGDK-JQBYJRRVSA-N 369.395 4.222 0 40 FIAB C[C@@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)c1nc2ccccc2s1 19459807 VFOWKFCUTDVYIE-PXAZEXFGSA-N 373.909 4.430 0 40 FIAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccc(F)cc1 19575471 HFBDTPRAAGXFDX-LLVKDONJSA-N 365.330 4.013 0 40 FIAB COC(=O)c1ccc(Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1 19894583 UGQSFCLIHHERDJ-UHFFFAOYSA-N 352.415 4.253 0 40 FIAB COC(=O)/C(Br)=C/N(Cc1ccccc1)Cc1ccccc1 1578895 WDQMSZWGDPMVNM-VKAVYKQESA-N 360.251 4.098 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2)n1C 2625754 XLNUPEDLVTYRBH-UHFFFAOYSA-N 367.474 4.376 0 40 FIAB Cc1nc(CSCCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cs1 36393447 BCXMMDLMUWVYQY-JTQLQIEISA-N 356.463 4.230 0 40 FIAB CSc1ccccc1NC(=O)N1C[C@H]2CCN(CC(C)C)CC[C@H]2C1 2056223272 BXOQECYKHDSNDK-CALCHBBNSA-N 361.555 4.240 0 40 FIAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)no1 9203843 JAPNHINQFWHVIN-UHFFFAOYSA-N 351.387 4.218 0 40 FIAB COc1ccc(CC(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1OC 12421877 ZPESWIQKWVQJKO-UHFFFAOYSA-N 364.445 4.358 0 40 FIAB CCN(CC)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2C)cc1 100841592 BHPSYHXFDIUUFI-MRCUWXFGSA-N 353.491 4.136 0 40 FIAB COCCN(Cc1ccsc1)C(=O)NCc1cccc2ccccc12 42382295 RBBZGKLYMLVPRA-UHFFFAOYSA-N 354.475 4.260 0 40 FIAB CCCCOC(=O)c1ccc(NC(=S)c2nc3ccccc3[nH]2)cc1 12420682 YZSCYFZIQARHSC-UHFFFAOYSA-N 353.447 4.307 0 40 FIAB CN1CCC(N(C)c2ccc(NC(=O)c3ccnc4ccccc34)cc2)CC1 79147421 DGOAFEFZAMZOLR-UHFFFAOYSA-N 374.488 4.018 0 40 FIAB C[S@](=O)Cc1cccc(C(=O)NCC2(c3ccccc3)CCCCC2)c1 40082938 VEUZXZPABMMHIN-AREMUKBSSA-N 369.530 4.197 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)c1[nH]c2ccccc2c1Cl 40143280 PYDLQAVXPLVEDC-UHFFFAOYSA-N 367.880 4.216 0 40 FIAB CC(=O)N1CCc2cc(C(=O)N[C@@H](c3cccs3)C3CCCC3)ccc21 32397306 SQCPOVGUIFVGJB-HXUWFJFHSA-N 368.502 4.318 0 40 FIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cc(C)ccc1OC 645471 OHUYNIRHRSAXRJ-UHFFFAOYSA-N 366.417 4.481 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1ccc(Cl)cc1 855163 QCDWNGQQOCYQQG-SFHVURJKSA-N 371.845 4.334 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)cc1 929461 PIFMXSRZNGLHJE-UHFFFAOYSA-N 354.431 4.337 0 40 FIAB COc1ccc(S(=O)(=O)N2c3cc(C)ccc3C(C)=CC2(C)C)cc1 1251610 WYOSUWJQMUJIQO-UHFFFAOYSA-N 357.475 4.394 0 40 FIAB O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(F)cc1 1396569 YUGOSUFLAXCLID-UHFFFAOYSA-N 352.315 4.470 0 40 FIAB COc1ccc(C(=O)C[C@@H](SCCO)c2ccc(Cl)cc2)cc1 2106406 WFDDXTQSUWTBGB-GOSISDBHSA-N 350.867 4.388 0 40 FIAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 2348902 WZNDXVXFTQSMTA-KBMIEXCESA-N 365.385 4.303 0 40 FIAB C[C@@H](OC(=O)c1cccnc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3269605 RENHNUNSXMMKCR-MRVPVSSYSA-N 373.623 4.226 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3ccccc3cc2O)cc1 3292164 DLBAUFWGPZDZIB-AWEZNQCLSA-N 363.413 4.292 0 40 FIAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1c(F)cccc1Cl 3365742 NYAUBCWTTWYIHW-UHFFFAOYSA-N 355.818 4.473 0 40 FIAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccccc4C)C3=O)ccc2c1 3442677 NDCFYBINAIBJSY-HSZRJFAPSA-N 374.440 4.124 0 40 FIAB CCCCCCOCCOCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 4691954 MQUDMBQELAOGLO-OALUTQOASA-N 353.547 4.345 0 40 FIAB COc1ccc2nc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)[nH]c2c1 5185397 GFBJKMZHYYCEQI-GOSISDBHSA-N 367.474 4.027 0 40 FIAB Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1N1CCCC1=O 5440805 LFDFSNUIKDKSDB-UHFFFAOYSA-N 362.351 4.393 0 40 FIAB COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1N1CCCC1=O 5440969 ZNDVHORYTRRDRO-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)Oc1ccccc1 5603568 VHBHRCAHOWALSO-FQEVSTJZSA-N 360.413 4.025 0 40 FIAB O=C(COc1ccc(F)cc1Cl)Nc1cccc(Br)c1 6217304 JVEAIRJKXWUMHA-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1Br 6263072 IRPQAOHAKXXJPM-UHFFFAOYSA-N 364.239 4.497 0 40 FIAB O=C(COc1ccc(F)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 7890115 YRAPPRWEOAYPCD-IBGZPJMESA-N 359.397 4.311 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NCCCN4CCCCCC4=O)c23)C1 7974162 CIVQLJBQRAMDGC-AWEZNQCLSA-N 372.538 4.021 0 40 FIAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(C)cc1Br 7976314 IIRAUNFUCOOXRA-UHFFFAOYSA-N 361.239 4.011 0 40 FIAB CCc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 8262487 SJFMFWTZBJNBJL-UHFFFAOYSA-N 351.471 4.317 0 40 FIAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3n2C(F)F)cc1 8707452 BLPDGIHEAGEJHP-CQSZACIVSA-N 372.419 4.371 0 40 FIAB Cc1sc2nc(-c3cccnc3)nc(NC3CCC(O)CC3)c2c1C 9592265 HICSTKXRWQMWLG-UHFFFAOYSA-N 354.479 4.086 0 40 FIAB O=C(C(=O)N1CCCCC1)c1cn(Cc2ccccc2F)c2ccccc12 9668672 PYXBLJMAVIMJSJ-UHFFFAOYSA-N 364.420 4.024 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)NCc1ccccc1Cn1cccn1 10234974 WWDXNICGYSGIQR-UHFFFAOYSA-N 374.271 4.097 0 40 FIAB CCOC(=O)[C@H]1CCCN(C(=O)c2oc3c(ccc4ccccc43)c2C)C1 10640644 HSYVCTNOPCZBRM-INIZCTEOSA-N 365.429 4.310 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)CC(=O)N2CC 10825231 BEAZJBLNMVRZET-UHFFFAOYSA-N 374.440 4.400 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1 12284440 LJZBYPVJZDMCPO-MRXNPFEDSA-N 358.869 4.070 0 40 FIAB O=C(Cn1c(-c2cscn2)nc2ccccc21)NCCC1=CCCCC1 12542008 YSBXVWXNWUYRLN-UHFFFAOYSA-N 366.490 4.167 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 12764060 FITSLZLNKCAWRQ-SDNWHVSQSA-N 361.445 4.268 0 40 FIAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1 12920444 HDMPDYPSSIJRJU-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O 13070653 GJPFBLKAUHSBGA-ZDUSSCGKSA-N 360.816 4.033 0 40 FIAB O=C(NCCCc1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 13655010 HAQILDONYQFZJH-UHFFFAOYSA-N 361.470 4.450 0 40 FIAB CC(C)Cc1cc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)n[nH]1 13729377 VJRNHVIWDMEYBR-UHFFFAOYSA-N 358.858 4.095 0 40 FIAB Cc1ccc(-c2nnc(SCc3nc(-c4ccsc4)no3)n2C)cc1 14134707 UJSRNFSYHHTMQI-UHFFFAOYSA-N 369.475 4.194 0 40 FIAB CCc1cc(C(=O)Nc2nnc([C@@H](C)Oc3cccc(C)c3C)s2)no1 19522691 KIJFHUQUXVFEAW-GFCCVEGCSA-N 372.450 4.098 0 40 FIAB COc1ccc(/C=C/C(=O)NCCSCc2cccc(Cl)c2)cc1 20240078 AYKYWVLODPCYGB-JXMROGBWSA-N 361.894 4.411 0 40 FIAB CC(=O)c1ccccc1OCCOC(=O)c1oc2ccc(F)cc2c1C 21445916 MNNLOOUVJCMJNX-UHFFFAOYSA-N 356.349 4.319 0 40 FIAB CN(Cn1ncc(Cl)c(Cl)c1=O)C(c1ccccc1)c1ccccc1 22419621 BHIZMHXYYNSPGV-UHFFFAOYSA-N 374.271 4.229 0 40 FIAB O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H]1c1ccccc1 23437201 OTGXDTPHZWYOSY-CQSZACIVSA-N 371.380 4.111 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969545 XVCFWNCZLJXKNQ-CQSZACIVSA-N 351.837 4.176 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1SCC(F)(F)F 32907912 RLTFJSLANVBSLQ-OLZOCXBDSA-N 360.445 4.448 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)s1 32908571 HIPXCWRWEDFLNS-UHFFFAOYSA-N 368.462 4.070 0 40 FIAB COc1cccc(C(=O)NCc2cccc(COCc3ccccc3)c2)c1 32925141 MBNHZBSWZTUYSJ-UHFFFAOYSA-N 361.441 4.342 0 40 FIAB Cc1cccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n12 35615889 AUIMVDLNIBNBPH-UHFFFAOYSA-N 359.385 4.488 0 40 FIAB CN(Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(OC(F)(F)F)cc1 40067878 TVSPAYMTLBRSKT-UHFFFAOYSA-N 374.309 4.205 0 40 FIAB CCC(CC)[C@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1cccs1 40158087 QYIRSUUDWXIPMX-FQEVSTJZSA-N 368.502 4.426 0 40 FIAB Cc1ccc(CNCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 40460186 JDVREPKVCPHZDE-UHFFFAOYSA-N 361.470 4.021 0 40 FIAB Fc1ccc(-c2noc(CCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 41097912 WZUQLQKURVXYCV-UHFFFAOYSA-N 370.771 4.364 0 40 FIAB CC1=NN(c2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2)CC1 42397711 YIBBWFRCOLMLSG-SFHVURJKSA-N 351.475 4.240 0 40 FIAB C[C@@H](Sc1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(F)cc1 48325682 NJENWBRFBMPXPE-CYBMUJFWSA-N 356.422 4.278 0 40 FIAB Cc1nc(-c2ccc(Oc3nn4cc(C(C)(C)C)nc4s3)cc2)no1 54043877 UUZLNPSUEYYJDD-UHFFFAOYSA-N 355.423 4.239 0 40 FIAB O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccncc1 57003984 FUADGZYHHJEHQQ-UHFFFAOYSA-N 350.328 4.155 0 40 FIAB CCCc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)[nH]n1 65512969 LMFTXEKBYRSPQH-UHFFFAOYSA-N 372.856 4.177 0 40 FIAB Cn1cc(C(=O)Nc2cnc3ccccc3c2)c(-c2ccc(F)cc2F)n1 70765201 NAACDBULXXZKDF-UHFFFAOYSA-N 364.355 4.166 0 40 FIAB c1cc2c(cc1[C@@H](NCc1cnc([C@H]3CCCO3)s1)C1CC1)OCCO2 89800381 QNYAUIHIQVATKF-MJGOQNOKSA-N 372.490 4.007 0 40 FIAB CCN(CC)c1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1 95097150 XKVOHBHJWYOPSG-UHFFFAOYSA-N 369.284 4.046 0 40 FIAB Cc1nc(C(C)C)c(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)s1 95476230 BYLNKSXUDGTWCG-UHFFFAOYSA-N 373.482 4.471 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Oc2ccccn2)CC1 96024709 PFIICWOJULLQLI-UHFFFAOYSA-N 366.248 4.464 0 40 FIAB CCCN1CCC(NC(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 97595746 WFOJXAXYZBOZNZ-UHFFFAOYSA-N 360.527 4.416 0 40 FIAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1cccc(OC(F)(F)F)c1 199524813 SXLSEMQOXYFCQZ-LBPRGKRZSA-N 370.260 4.065 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 223169605 OAUAWIINDJICHJ-UHFFFAOYSA-N 367.489 4.092 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)s1 223630439 BFFWREWIZNGVHC-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB CC1CCN(c2ccc(NC(=S)N[C@H](C)c3ccccc3)cn2)CC1 223957446 ABTJDMUZIXCVKA-MRXNPFEDSA-N 354.523 4.366 0 40 FIAB CCCOc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224676051 DKNGTWAMHRGGTK-UHFFFAOYSA-N 366.505 4.391 0 40 FIAB CCOc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1 225456533 ZTSODCBAQZNHSH-UHFFFAOYSA-N 366.490 4.066 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(OC)c(OC)c1 225702827 UUBXDTISJZRWQY-KRWDZBQOSA-N 372.490 4.076 0 40 FIAB COc1ccc(SCCCNC(=S)Nc2ccc(F)cc2)cc1 225802799 LLKZOJZUYWGLHI-UHFFFAOYSA-N 350.484 4.303 0 40 FIAB O=C(C1CCCC1)N1CC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257269220 MPCCESVZWSEWRH-INIZCTEOSA-N 358.869 4.425 0 40 FIAB O=C(CC1CCCCC1)N1CCC[C@H]1c1cccc(Nc2nncs2)n1 257330733 XPRGTADSROQDRD-INIZCTEOSA-N 371.510 4.311 0 40 FIAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 408550180 AYCHEHXOMCPEMT-UHFFFAOYSA-N 368.842 4.018 0 40 FIAB CCOC(=O)C1=CNc2cc(-c3ccc(C)cc3)nn2[C@@H]1c1ccccc1 409026788 YFRWEPHFOUIYQW-OAQYLSRUSA-N 359.429 4.320 0 40 FIAB O=C(CN1Cc2ccccc2C1)Nc1ccc(Cl)c(C(F)(F)F)c1 409193157 DCIGWBAWZPCRMF-UHFFFAOYSA-N 354.759 4.313 0 40 FIAB O=C(O)c1ccccc1CN1CCC(c2nc3ccccc3s2)CC1 568062566 HSJIBTGXEKYHBA-UHFFFAOYSA-N 352.459 4.374 0 40 FIAB CC[C@H](c1ccccc1OC)N(C)C(=O)c1cnc(O)c2ccccc12 585083360 VLMWAGNHNAYLGO-GOSISDBHSA-N 350.418 4.172 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)Nc1cccs1 585147864 DSVLMWQUCTUKLY-SNVBAGLBSA-N 350.490 4.393 0 40 FIAB COc1ccccc1[C@@H]1C=Cc2c(cc(C)n(Cc3ccccc3)c2=O)O1 585261341 UVIRXWMITFGIMJ-NRFANRHFSA-N 359.425 4.361 0 40 FIAB Fc1ccc(-c2cnc(Nc3ccc(C[C@@H]4CCNC4)cn3)s2)cc1 585262863 MPPGLFSGYSXSFK-AWEZNQCLSA-N 354.454 4.240 0 40 FIAB O=C(NCCc1c[nH]c2cc(Cl)ccc12)[C@@H]1CCOc2ccccc21 590471882 DIKMNTBVKAYUAV-QGZVFWFLSA-N 354.837 4.046 0 40 FIAB Cc1nc([C@@H](C)NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)cs1 664036599 RKHWFXYRTMMFDA-CQSZACIVSA-N 369.490 4.163 0 40 FIAB Cc1oc(-c2cccs2)nc1C(=O)NC1CCC2(CCOCC2)CC1 1116228665 PLHTZGHIXGQOBO-UHFFFAOYSA-N 360.479 4.181 0 40 FIAB C=CC(=O)Nc1cccc(C(=O)NCC2(c3ccc(C)c(C)c3)CCC2)c1 1139642615 UAEDRZTYWTYMJS-UHFFFAOYSA-N 362.473 4.280 0 40 FIAB F[C@H]1CCCN(Cc2cccc(Br)c2Br)C1 1232762934 FZPSZJFJWAOISO-JTQLQIEISA-N 351.057 4.146 0 40 FIAB COc1cc(NC(=O)c2ccc(Br)cc2)c(OC)cc1Cl 723655 DEPVMIQYMKNQEF-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB Fc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c(F)c1 756737 HXLNWRIWXXROLI-UHFFFAOYSA-N 357.751 4.491 0 40 FIAB CCOC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccc(F)cc2)C1=O 1211863 ZAQVCMBJJGFCKH-FOWTUZBSSA-N 369.417 4.369 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 1470913 CSLAAJUMGQOEEW-UHFFFAOYSA-N 372.730 4.457 0 40 FIAB CCOc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O 1564793 NQJYUUAHABMTOQ-PTNGSMBKSA-N 372.218 4.192 0 40 FIAB CCOc1ccccc1/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O 2081203 UTGVZOSDDIEIJI-CHHVJCJISA-N 363.747 4.361 0 40 FIAB Cc1cccc(-c2nc3c4cnn(-c5cccc(Cl)c5)c4ncn3n2)c1 2421277 NPCSGKORXKSTFD-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(OC)cc1 3270721 BTKAFFKBMZTPQX-UHFFFAOYSA-N 367.474 4.257 0 40 FIAB COCCn1c(-c2ccco2)cs/c1=N/c1ccc(Cl)c(F)c1 3277247 VTYJNPAKIJZTPY-KNTRCKAVSA-N 352.818 4.481 0 40 FIAB Cc1ccc(NC(=S)NC[C@H](c2ccco2)N2CCCCC2)c(C)c1 3357831 QSAOESZUZPSIHM-GOSISDBHSA-N 357.523 4.410 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)OCc2csc(-c3ccccc3)n2)c1C 3393098 KEVOXVLTAPGEEN-UHFFFAOYSA-N 354.431 4.315 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)n2C)cc1 4130223 BYKJSMQQSSYTEJ-AWEZNQCLSA-N 358.511 4.291 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4592891 GKYRNMLGRCUZSL-LOHFZDIYSA-N 369.461 4.098 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 4691171 DHDBTVCXIWLKNM-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CCC[C@@H](CN1CCCCC1)[C@@H](OC(=O)c1ccc(N)cc1)C(F)(F)F 4707339 RURYPWLSKRBBFD-DOTOQJQBSA-N 372.431 4.259 0 40 FIAB COc1cccc(-c2ccc3nnc(SCc4ccccc4F)n3n2)c1 5168076 VGJUDEWOFNSNFU-UHFFFAOYSA-N 366.421 4.231 0 40 FIAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12 6370637 QPVPXZYQFUQFGH-NRFANRHFSA-N 356.381 4.344 0 40 FIAB COc1cc(Cl)ccc1NC(=O)NC(=O)c1c(F)cccc1Cl 6490550 LKJZGMIJLLGUFR-UHFFFAOYSA-N 357.168 4.103 0 40 FIAB CCN(C(=O)[C@H](C)n1cc(C(=O)OC)c2ccccc21)c1ccccc1 6630127 CGBGLIRXBOFRNJ-HNNXBMFYSA-N 350.418 4.042 0 40 FIAB Cc1ccc(NC(=O)Nc2ccccc2I)cc1 6923021 XXJKNQBVQDEAHJ-UHFFFAOYSA-N 352.175 4.244 0 40 FIAB Cc1occc1-c1nnc(SCc2nc(-c3ccc(F)cc3)no2)o1 7218822 LFWFFRYPZSFIPZ-UHFFFAOYSA-N 358.354 4.119 0 40 FIAB COc1cccc(N2CCN(C(=O)c3cc4c(F)cccc4s3)CC2)c1 8025963 KJHZWOULIJRFEM-UHFFFAOYSA-N 370.449 4.011 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1CN1CCCC1 8076469 HFKRGMWPNFLAHR-UHFFFAOYSA-N 361.489 4.013 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)[nH]2)cc1 8117021 CHTVANDCYIOSJR-UHFFFAOYSA-N 370.840 4.230 0 40 FIAB CCc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1 8263379 DZBGJIIWRIPQDD-UHFFFAOYSA-N 361.488 4.295 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1 8915644 WJUQTEFDFKQDSS-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)c(OC)c1 9114164 PGMFBMDQSAWESZ-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB CSc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 9154407 DCCGKRAQRSLBFD-UHFFFAOYSA-N 370.503 4.277 0 40 FIAB CC(C)Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 9225885 CXVHVHMPKZIOPK-UHFFFAOYSA-N 370.453 4.110 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)NCc3nc4ccccc4[nH]3)sc2n1 9317952 MFNYYVDTLRATCL-UHFFFAOYSA-N 350.447 4.028 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 10457996 IXRJCHLXOSUNPA-UHFFFAOYSA-N 358.869 4.440 0 40 FIAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ccc(Cl)nc1 10805277 WCJAOEZKOOZXIB-UHFFFAOYSA-N 372.852 4.258 0 40 FIAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccnc1S 11837261 RATLKTJBNFKXHF-UHFFFAOYSA-N 367.455 4.170 0 40 FIAB O=C(CCCc1ccncc1)N1CCc2c([nH]c3ccc(Cl)cc23)C1 12148702 YTIIOCMRRMBGQQ-UHFFFAOYSA-N 353.853 4.124 0 40 FIAB C[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21)c1ccco1 12220898 JMOVIQUTLNAQNE-AWEZNQCLSA-N 363.392 4.313 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 12284626 YVMIJUWWUWVEJX-MRXNPFEDSA-N 373.294 4.300 0 40 FIAB CCn1c(CSc2ccc(NC(C)=O)cc2)nc2cc(C(=O)O)ccc21 12627631 OPQLWAUBZYXIAJ-UHFFFAOYSA-N 369.446 4.005 0 40 FIAB O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 12752495 AVPPJUFHFRGZIN-SFHVURJKSA-N 374.469 4.459 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(-n2nccc2C)cc1 12770326 PQEGXNQRSFGUKJ-UHFFFAOYSA-N 360.461 4.342 0 40 FIAB COc1ccc(OC)c(NC(=O)c2csc(-c3ccc(C)cc3)n2)c1 12821618 NFFXFWMYSBMJPW-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)c1cccc(Br)c1 12828291 COMRTYZGHOXRQP-UHFFFAOYSA-N 351.269 4.427 0 40 FIAB CC[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cccc2ccccc12 13573004 UERIMWPFOYWASW-HNNXBMFYSA-N 363.446 4.016 0 40 FIAB CCCc1cc(O)nc(S[C@H](C(=O)NC2CCCC2)c2ccccc2)n1 13945436 BPIZMXKFKOGNBE-SFHVURJKSA-N 371.506 4.027 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(C(F)(F)F)cc1 14169515 AZPZRHXOZPIJOI-INIZCTEOSA-N 366.383 4.255 0 40 FIAB C[C@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 16046939 WYELALBCXWPMOB-ZDUSSCGKSA-N 367.880 4.306 0 40 FIAB COc1ccc2nc(-n3nc(C)cc3NC(=O)c3cccs3)sc2c1 16851070 LIUPALGLDOSZBR-UHFFFAOYSA-N 370.459 4.113 0 40 FIAB CCCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2 17440308 ABENXYIRKLNIOP-UHFFFAOYSA-N 364.445 4.445 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 18891855 DBGWRBICCPPBDT-INIZCTEOSA-N 369.461 4.146 0 40 FIAB COc1cccc([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1OC 19568144 RVWMHYVPSPWBKL-ZFWWWQNUSA-N 358.488 4.198 0 40 FIAB O=c1c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c[nH]c2ccccc12 20715725 UOSRGCFJBBOTJP-UHFFFAOYSA-N 357.291 4.264 0 40 FIAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)Nc1nnc(C2CC2)s1 21293890 PVUJGFVOAVMAEF-UHFFFAOYSA-N 360.826 4.285 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)o1 21545383 QOYJUIFQPXHLHA-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB Cc1cc(C)c([C@@H](C)NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1C 22606064 CVXCTEUCOKXQQV-OAHLLOKOSA-N 366.436 4.094 0 40 FIAB COc1cc(OC)c(OC)cc1CNCc1c(Cl)cccc1Cl 22793132 PZLXRMCJFGVXRA-UHFFFAOYSA-N 356.249 4.309 0 40 FIAB COC(=O)c1cc(NC(=O)Cc2c(C)[nH]c3ccccc23)ccc1Cl 24982323 AJPQHYMCUYXENW-UHFFFAOYSA-N 356.809 4.098 0 40 FIAB Cc1cccc(NC(=O)CN2CCn3cccc3[C@H]2c2ccccc2)c1C 30588871 RWDLAEIRRQFZQI-HSZRJFAPSA-N 359.473 4.149 0 40 FIAB CCc1cccc(CC)c1NC(=O)COc1cccc2c1CCC[C@@H]2O 32691479 NYPITNQEJGWJPP-IBGZPJMESA-N 353.462 4.199 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)c1cccc(NC(=O)C(C)(C)C)c1 32904065 BRNJBDSKCXCXCJ-ZDUSSCGKSA-N 356.491 4.492 0 40 FIAB COc1ccc(NC(=O)CCc2cccc(Br)c2)c(OC)c1 32962451 DCNQXECWUYCMDE-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)C(C)C(C(=O)Nc2ccccc2)=C(C)N1 35182997 LHWSZUCCHPPBSZ-UHFFFAOYSA-N 361.445 4.051 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 36398490 BPXGXAHPTDZGQQ-GFCCVEGCSA-N 356.809 4.314 0 40 FIAB O=C(NC1CCCC1)c1csc(Nc2ccc(OC(F)F)cc2)n1 36704678 NQCQFCLVLSYMAL-UHFFFAOYSA-N 353.394 4.161 0 40 FIAB COc1cc(NC(=O)N[C@@H](c2cccs2)C(C)C)cc(OC)c1OC 40023995 NDPAWECKWPDQEO-MRXNPFEDSA-N 364.467 4.293 0 40 FIAB Cc1cccc(C)c1OCCNC(=O)Cc1csc(-c2cccs2)n1 40113821 PRBHEUAAWUFNRZ-UHFFFAOYSA-N 372.515 4.226 0 40 FIAB CCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CC)c1ccccc1 40143608 MVGPXIWJGDPGAU-LJQANCHMSA-N 350.462 4.257 0 40 FIAB FC(F)(F)c1cccc(Oc2ccc(I)cc2)n1 44271123 NFVUANWEPSRBEJ-UHFFFAOYSA-N 365.092 4.497 0 40 FIAB CC(C)COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 44902010 MQEZSWZXZKLSQD-SFHVURJKSA-N 362.433 4.426 0 40 FIAB CCOCc1ccccc1CNC(=O)c1c2c(nc3ccccc13)CCC2 48265112 IAUWIOAHQCXWJK-UHFFFAOYSA-N 360.457 4.190 0 40 FIAB c1cnc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)nc1 53485579 PZKJGQHDCIKQMC-UHFFFAOYSA-N 359.480 4.323 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2ncccn2)n1)c1ccc2ccccc2c1 54057731 UYSDNJQHXZAZPS-CQSZACIVSA-N 374.469 4.173 0 40 FIAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 55902035 LENPGFUFMXZPEW-UHFFFAOYSA-N 367.630 4.313 0 40 FIAB NC(=O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 57327610 XHAJVHDQDZWUDE-UHFFFAOYSA-N 368.536 4.480 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)c2ccnn2C)cc1Cl)c1ccccc1 65549832 DDAIUSQWVCCFSU-CYBMUJFWSA-N 354.841 4.499 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1csc(-c2ccc3c(c2)OCCO3)n1 66752050 HRDBGPXHOTTXQM-UHFFFAOYSA-N 374.368 4.112 0 40 FIAB CCCCc1noc(CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)n1 70015470 CGEQWXFGCTVVQO-AWEZNQCLSA-N 365.861 4.236 0 40 FIAB O=C(NCCCC1(C2OCCO2)CCCCCC1)[C@H]1C[C@@H]1c1ccccc1 75148596 RGKOFLANAACVJC-UXHICEINSA-N 371.521 4.400 0 40 FIAB Cc1cccc(CC(=O)NC[C@](C)(O)c2ccc(-c3ccccc3)cc2)c1 75155382 FUWIFBBJVDIUHP-DEOSSOPVSA-N 359.469 4.228 0 40 FIAB O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165856 CVVRMQVWKIVOQJ-RTBURBONSA-N 370.424 4.044 0 40 FIAB CSc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 78579274 ACAXPNULBIKZQB-UHFFFAOYSA-N 353.447 4.039 0 40 FIAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)C12CCCCC2 79489997 DSZDWMIWGYOESJ-IBGZPJMESA-N 356.510 4.254 0 40 FIAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1[nH]c2ccccc2c1Cl 89866538 VHJLMBRZHCOWKC-UHFFFAOYSA-N 354.793 4.167 0 40 FIAB C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cc(N2CCCC2=O)ccc1F 89930136 UHMWVBXUALNNJU-SPLOXXLWSA-N 366.436 4.006 0 40 FIAB CO[C@](C)(CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F 96123507 XSGFNSVRVCAMSV-HXUWFJFHSA-N 370.449 4.241 0 40 FIAB Cc1ccc(NCC(=O)Nc2ccnn2C2CCCC2)cc1C(F)(F)F 96995579 IFDUEYMIEYXCTC-UHFFFAOYSA-N 366.387 4.376 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 156529684 UVBQSVCDGQALMQ-UHFFFAOYSA-N 372.472 4.301 0 40 FIAB COc1ccc(Cl)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584738 RWESUUNERWELMM-JECHBYEQSA-N 359.882 4.333 0 40 FIAB COc1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)c(OC)c1 224450786 OULKDVZABHNMLS-UHFFFAOYSA-N 373.449 4.137 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)cc1 225448157 YXAAZLFMLPEFHR-NSHDSACASA-N 353.538 4.466 0 40 FIAB CCCOC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 225485696 RHUMKGYJUXEQGX-UHFFFAOYSA-N 352.478 4.295 0 40 FIAB CC1(C)C[C@@H](NC(=O)COc2cccc3c2CCCC3)c2ccccc2O1 225536385 FSGXKMBZPQNQDH-LJQANCHMSA-N 365.473 4.363 0 40 FIAB CO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225635150 QLUUQENQDOSFIU-XMSQKQJNSA-N 374.525 4.085 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c(C)n1 225861115 OBKVCFRXYJMJQE-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB O=C(NC1(c2cccs2)CCOCC1)c1cc(Br)cs1 390826938 CVGQMNKEGPGTKK-UHFFFAOYSA-N 372.309 4.008 0 40 FIAB O=C(NC1(c2cccs2)CCOCC1)c1ccccc1C(F)(F)F 390829387 YHBJFGHSQHUKDL-UHFFFAOYSA-N 355.381 4.203 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 408561262 RPLBELTUWNOHMS-UHFFFAOYSA-N 364.225 4.332 0 40 FIAB COc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccccc2)cc1 409095611 ICWIXNWLJZSHSU-UHFFFAOYSA-N 360.442 4.489 0 40 FIAB CC[C@H]1CCc2nc(NC(=O)c3coc(Br)c3)sc2C1 503005528 ZWVIEACBJDPKPT-QMMMGPOBSA-N 355.257 4.266 0 40 FIAB Cc1ccc(-c2noc(CC3CCN(C)CC3)n2)c(OC2CCCC2)c1 585084222 NHPVSQXVLQRYQQ-UHFFFAOYSA-N 355.482 4.251 0 40 FIAB Cc1ccc2nc(C)cc(C(=O)NC[C@@H](c3cccc(F)c3)N(C)C)c2c1 29836006 VMOPCGKXTMVNNM-NRFANRHFSA-N 365.452 4.023 0 40 FIAB O=C(CSc1nsc2nc3ccccc3n12)Nc1ccc(Cl)cc1 1468124 KVXUOVBDFPDJEH-UHFFFAOYSA-N 374.878 4.328 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccncc1 32726059 CDRASVXRUPJDEF-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB O=c1cc(CSCc2csc(-c3ccccc3)n2)nc2sccn12 32778684 GUPNHVFWZILDNE-UHFFFAOYSA-N 371.512 4.313 0 40 FIAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 6604992 FGWJSHDZHPZZCM-WYMLVPIESA-N 369.461 4.489 0 40 FIAB O=C(NCc1ccncc1)c1ccc(OCc2ccccc2Cl)cc1 7367106 LWSXKIBCAYCFFY-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB FC(F)(F)c1ccccc1CNn1c(-c2ccccc2)n[nH]c1=S 7601526 GSNXYTVHBDABJN-UHFFFAOYSA-N 350.369 4.370 0 40 FIAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2ccccc2)cc1 7601981 XGUDQLRPHXEXJQ-UHFFFAOYSA-N 359.458 4.413 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 7909406 FCWSWOZEPSYFAV-CYBMUJFWSA-N 355.825 4.200 0 40 FIAB O=C1Nc2ccccc2/C1=C\c1cn(-c2ccccc2)nc1-c1cccnc1 7986209 FOWDUJFFHGDWRL-DEDYPNTBSA-N 364.408 4.427 0 40 FIAB CCOc1cc(CNC)cc(Br)c1OCc1ccccc1 8254035 GGLAHFRVVVEYSV-UHFFFAOYSA-N 350.256 4.146 0 40 FIAB COc1ccc(NC(=O)Cc2cnc(-c3ccccc3F)s2)cc1OC 12390725 USRFMHHBYXXBJF-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB Cc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccco2)c1 1162378 XHFUMCDIQGDJSU-VBKFSLOCSA-N 352.415 4.059 0 40 FIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Br)cc1 20138305 PJPVIVXMUAADOK-UHFFFAOYSA-N 372.218 4.454 0 40 FIAB O=C(CNc1ccccc1OC(F)(F)F)N[C@H]1CCCc2ccccc21 22811719 JZGALFBXGPXOKO-HNNXBMFYSA-N 364.367 4.191 0 40 FIAB Cc1ccc2[nH]c(SCCC(=O)NCc3ccccc3Cl)nc2c1 24982293 SVSOSIOJBQGRDB-UHFFFAOYSA-N 359.882 4.323 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 12520453 MOWFWMCZMJFWDH-KRWDZBQOSA-N 367.493 4.433 0 40 FIAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)[C@H](c1cccs1)N1CCCC1 3261398 QWEKCQFTYATLDE-SJKOYZFVSA-N 366.889 4.496 0 40 FIAB CCN(CC)c1cc(C[S@](=O)c2ccccc2)nc(-c2ccccc2)n1 1404352 AQXCLNQJBPZYGY-AREMUKBSSA-N 365.502 4.298 0 40 FIAB Cc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1 43739273 BPERGOZMMFLTLZ-UHFFFAOYSA-N 371.502 4.337 0 40 FIAB C[C@@H](OCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924134 GWSFFLCKRBMFRS-AUGHHAEUSA-N 362.554 4.324 0 40 FIAB C[C@]1(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1(Cl)Cl 26984666 FYDPFBRTTSAXGN-CYBMUJFWSA-N 350.629 4.024 0 40 FIAB COc1ccc(-c2sc(NC(=O)Nc3ccc(C)cn3)nc2C)cc1 27516702 IQUUQTSXYXBHMS-UHFFFAOYSA-N 354.435 4.475 0 40 FIAB CC1CCN(C(=O)[C@H](C)Sc2nccn2-c2ccc(Cl)cc2)CC1 10244341 RSFHMQJXSZXACL-AWEZNQCLSA-N 363.914 4.265 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(C)c(C)c1 20899448 FBAGOXSTBOWNDM-MRXNPFEDSA-N 369.396 4.289 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(C)cc1 20044811 KFYQDKIJZGKCIN-MRXNPFEDSA-N 353.871 4.087 0 40 FIAB CN(Cc1ccc(Cl)c(Cl)c1)[C@H](C(=O)NC1CC1)c1ccccc1 12888064 LCYMNDBHGARVPK-SFHVURJKSA-N 363.288 4.445 0 40 FIAB Cc1ccc(CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 3410542 LJBXHLVSFBGQEX-UHFFFAOYSA-N 360.763 4.331 0 40 FIAB Cc1ccc(OC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cn1 62639853 IXCFJYAOFTVOSB-UHFFFAOYSA-N 363.348 4.260 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)CCNC(=O)c1ccsc1 12920425 CSNRLBRUMGDVTD-UHFFFAOYSA-N 364.898 4.285 0 40 FIAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2cccc(Cl)c2)n1 409386505 UUQQEYHRONZFAY-UHFFFAOYSA-N 361.776 4.188 0 40 FIAB Cc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 13945744 QNYPPFUZBOZZHC-UHFFFAOYSA-N 374.396 4.198 0 40 FIAB CCOCCSc1nc(-c2cccc(OC)c2)nc2c1COC(C)(C)C2 5243534 PDAOQQGQKZNFLK-UHFFFAOYSA-N 374.506 4.132 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20137334 GFFKYTGQNUWTIC-UHFFFAOYSA-N 371.820 4.282 0 40 FIAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccccc3C)n2)cc1 4526297 ADVTYEGJROKNRR-GOSISDBHSA-N 363.417 4.031 0 40 FIAB CCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCC(C)C 6510083 LXURLRLUIJDTAG-UHFFFAOYSA-N 357.406 4.101 0 40 FIAB CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(C)cc1 4816466 IFNWSHMFHCXEOQ-WOJBJXKFSA-N 360.461 4.454 0 40 FIAB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2cccc(F)c2F)CC(=O)N1 6820038 PXSRXBKNWMEKJI-HNNXBMFYSA-N 363.404 4.108 0 40 FIAB C[C@H]1CN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)C[C@H](C)O1 7687586 NARZJSZNIYHVQN-GJZGRUSLSA-N 359.853 4.168 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 7735676 JRNHMBJLFICMNZ-UHFFFAOYSA-N 352.365 4.088 0 40 FIAB CCc1cc2c(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)ncnc2s1 8129939 HGEKFGYAWRQZOT-UHFFFAOYSA-N 373.503 4.376 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)cc1Cl 72330092 DAFKMLPBWSLNOP-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(-c2ccccc2)s1 95381627 YFQWPNVFECATEP-RBUKOAKNSA-N 369.534 4.176 0 40 FIAB Cc1ccc(CCC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)cc1 75108372 LYKNMMQCDVERBA-NRFANRHFSA-N 363.457 4.283 0 40 FIAB Cc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1 28577240 CORZWAAMMVSNLX-UHFFFAOYSA-N 355.463 4.105 0 40 FIAB CC(C)N(C(=O)CSc1noc(-c2ccccc2)n1)c1ccccc1 28527283 YWJXSVCAXJDVGP-UHFFFAOYSA-N 353.447 4.270 0 40 FIAB Nc1c(C(=O)Nc2ccccc2)c2ccccc2n1C(=O)c1ccc(F)cc1 28535283 SXPVZVBARCDJKH-UHFFFAOYSA-N 373.387 4.303 0 40 FIAB COc1cc(C=O)ccc1Oc1ncnc2sc3c(c12)CC[C@@H](C)C3 6559269 IRVYHCOSXIRTAV-LLVKDONJSA-N 354.431 4.430 0 40 FIAB COc1ccccc1CCC(=O)Nc1ccc(OC)c(-n2cccc2)c1 72403612 LKTDOBCDRSEJDF-UHFFFAOYSA-N 350.418 4.066 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 35289612 XFLYPKNFPRILJW-LJQANCHMSA-N 351.450 4.247 0 40 FIAB O=C(NCc1ccc(F)cc1Cl)c1cn[nH]c1-c1cccc(Cl)c1 72328859 JYWLVLSKQAQULP-UHFFFAOYSA-N 364.207 4.453 0 40 FIAB Cn1c(/C=C2/SCCN2C(=O)c2cc(F)ccc2F)nc2ccccc21 225237025 ATWXSNJDLHRITG-WOJGMQOQSA-N 371.412 4.039 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C)cc1C 222829658 VTBZCPVZYUSSQO-GOSISDBHSA-N 369.461 4.109 0 40 FIAB O=C(COc1cccc(Cl)c1)NCCSCc1ccc(Cl)cc1 222764802 WKAZKRWIOGHIEL-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)c1 226267296 STKIHVNTRQJNRC-UHFFFAOYSA-N 353.466 4.156 0 40 FIAB CCOC(=O)c1cn(Cc2ccc(C)cc2)c2cc(Cl)c(F)cc2c1=O 199805594 JTNOXSYKAUVSAW-UHFFFAOYSA-N 373.811 4.327 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N(C)C)c2ccccc23)o1 96052704 YQJLTXKAGTTXFV-GOSISDBHSA-N 366.505 4.087 0 40 FIAB O=C(O)c1c(F)cc(-c2cc(F)ccc2OC[C@H]2CCCCO2)cc1F 582073822 QRFLBSPLQXCGCL-CYBMUJFWSA-N 366.335 4.417 0 40 FIAB O=C(Cc1ccc(Cl)cn1)Nc1ccnn1[C@@H]1CCCc2ccccc21 585080881 HJFLFRJTFMIHNM-GOSISDBHSA-N 366.852 4.038 0 40 FIAB O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc(NCC2CC2)nc1 1142692804 HNCVRSXQQRSWGG-UHFFFAOYSA-N 368.868 4.011 0 40 FIAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cc(F)ccc1F 57364148 DETMIBBTTLRRFK-UHFFFAOYSA-N 352.384 4.283 0 40 FIAB Cc1cc(C2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)n[nH]1 1631655468 NZZDWFNGLZHZTM-UHFFFAOYSA-N 362.477 4.410 0 40 FIAB Cc1ccc(NC(=O)[C@H]2OCOc3ccccc32)cc1N1CCCCC1 12148465 FLIIXXILCBQZFD-FQEVSTJZSA-N 352.434 4.032 0 40 FIAB O=C(COc1ccccc1C(=O)O)Nc1ccc(Oc2ccccc2)cc1 13080213 WFBBGBNDCVDWTJ-UHFFFAOYSA-N 363.369 4.195 0 40 FIAB Cc1ccc(CNC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 5405324 GBPVOXVQENMVMH-BQYQJAHWSA-N 357.837 4.139 0 40 FIAB Cc1ccc(NCCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1 6607071 WGICOOMDWXSRJL-UHFFFAOYSA-N 362.429 4.132 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)C1(C)C 27131871 LAMACCXDIMSJRB-KFKAGJAMSA-N 352.482 4.025 0 40 FIAB O=c1c2ccccc2nc(SNCCc2ccccc2)n1-c1ccccc1 3618144 XULSCUKOAVBRHU-UHFFFAOYSA-N 373.481 4.225 0 40 FIAB CCOc1ccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)cc1 4392446 KMLPVRWRCNVTPM-UHFFFAOYSA-N 366.486 4.490 0 40 FIAB Cc1cccc(C)c1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O 5269895 YQJXRQGNFRZARZ-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CC(C)CN1C(=O)CCc2cc(NC(=O)CCc3ccccc3)ccc21 9137615 GHMHEUCYWYSUDJ-UHFFFAOYSA-N 350.462 4.193 0 40 FIAB O=C(c1ccc2ncsc2c1)N(CCc1cccs1)C1CCOCC1 206674942 WVHUYGYPKYGEQV-UHFFFAOYSA-N 372.515 4.222 0 40 FIAB C[C@H](Cc1csc2ccccc12)NC(=O)c1cc(=O)c2ccccc2o1 575619411 DVXYTEYUQMOXPO-CYBMUJFWSA-N 363.438 4.369 0 40 FIAB O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 585148087 NOOUCVFDDVIYNN-CQSZACIVSA-N 361.463 4.008 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc3nc(C)sc3c2)cc1OC 4544167 ANNBRMFGKNMWNS-WEVVVXLNSA-N 354.431 4.274 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c(OC)c1 40268262 WDOBFHGDXFPXQD-MRXNPFEDSA-N 367.380 4.152 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 100557677 AUCTWCKWYMANKF-QZTJIDSGSA-N 357.450 4.242 0 40 FIAB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3cccs3)=NN12 1085986 ZGRHIYVAODNRCA-MRXNPFEDSA-N 373.909 4.367 0 40 FIAB Cc1cccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 1358294 DASTXSFJIGRJLC-HNNXBMFYSA-N 350.491 4.448 0 40 FIAB Cc1cc(=O)oc(C)c1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C(C)C 1444580 BTYXTOCBXUHDFC-NRFANRHFSA-N 364.445 4.134 0 40 FIAB O=C(Cc1nc2ccccc2s1)C(=O)Nc1ccccc1C(F)(F)F 1625304 HAYNGZFAMRNCBH-UHFFFAOYSA-N 364.348 4.065 0 40 FIAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccco4)o3)c[nH]c12 2623569 ILOAEZIWGOLMBR-UHFFFAOYSA-N 353.403 4.348 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccccc1)c1ccccc1 2630400 WSKDOGDEXYEIFY-QFIPXVFZSA-N 360.457 4.473 0 40 FIAB Cc1ccccc1CSc1nc2c(c(=O)n1-c1ccccc1)SCC2 2719708 RCFWZRJMLRFTEC-UHFFFAOYSA-N 366.511 4.481 0 40 FIAB COc1ccc(-c2nsc(SCC(=O)Nc3cccc(C)c3)n2)cc1 3007362 FZBMSBQWIBFKNB-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB CSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)Nc1ccccc1-2 3044843 SINVOQHQQATQAH-OAHLLOKOSA-N 356.838 4.417 0 40 FIAB Cc1ccc2nc(COc3ccc(OCc4ccccc4)cc3)cc(=O)n2c1 3356488 UHQKMAYAIRBRCA-UHFFFAOYSA-N 372.424 4.161 0 40 FIAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@@H](C)C(C)(C)C 4189545 LKUDAXGZLFUSRT-KSSFIOAISA-N 374.481 4.081 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 4659755 YZDCZPMMLRNBNL-UHFFFAOYSA-N 374.440 4.268 0 40 FIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Br)o1 4714181 ZCDZPOUCYPUMHQ-XFFZJAGNSA-N 352.571 4.040 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(F)c(F)c1 4852785 SZLUZYGPVUSVCN-KXBFYZLASA-N 360.360 4.133 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1 4994071 NDVLVXHWCZFITB-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(Br)cc1 5441657 WXGFFDGTZKIEIJ-UHFFFAOYSA-N 373.250 4.218 0 40 FIAB CN(C)C1(CNC(=O)C(c2ccccc2)c2ccccc2)CCCCC1 5457304 YQLWOVUOLNFBDZ-UHFFFAOYSA-N 350.506 4.199 0 40 FIAB Cc1noc(C)c1COC(=O)c1c2c(nc3ccccc13)CC[C@H](C)C2 6200472 KWZPJHSWWIPURZ-LBPRGKRZSA-N 350.418 4.321 0 40 FIAB O=C1CCCC[C@@H]1Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 6510395 VWCATGQHMRFHCG-AWEZNQCLSA-N 356.472 4.255 0 40 FIAB Cc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)cc1Cl 6789047 NLPBAQWRDWTPQW-UHFFFAOYSA-N 360.866 4.116 0 40 FIAB COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)c(OC)c1 7461915 SJOHCNJDZBOKMV-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2=O)cc1 7653655 GPUMHZADVYAIRM-UHFFFAOYSA-N 364.228 4.477 0 40 FIAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC(F)F 7886301 NTGGWTXCRVGIRS-KRWDZBQOSA-N 360.360 4.026 0 40 FIAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)n(CC(C)C)c1C 8136212 IBLMRQOWJZQHFX-ZDUSSCGKSA-N 366.918 4.324 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1OCC 8294682 HFXAQIRVOIFFPG-OAHLLOKOSA-N 366.461 4.385 0 40 FIAB CCOC(=O)c1sc(-c2ccc(NC(=O)c3ccco3)cc2)nc1C 8298591 XYYXVHQVJRLJFM-UHFFFAOYSA-N 356.403 4.141 0 40 FIAB CCc1cc2c(=O)c(-c3nnc(-c4ccccc4)s3)coc2cc1O 8393099 LJNGLZIVCIPGHB-UHFFFAOYSA-N 350.399 4.247 0 40 FIAB COc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1OC 8903871 CKUFXKIDJCMUMW-UHFFFAOYSA-N 364.357 4.357 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(-c2ccccc2)cc1 9053241 LMHADTINUPUDAP-UHFFFAOYSA-N 359.425 4.283 0 40 FIAB Cc1ccc(NC(=O)[C@H](Nc2ccn(C)n2)c2ccccc2)cc1Cl 10751809 OUOKPQPIHKMOCB-GOSISDBHSA-N 354.841 4.174 0 40 FIAB COc1cc(SC)ccc1C(=O)NCCOc1ccc2ccccc2c1 10995226 PJRSNLNOADPQLW-UHFFFAOYSA-N 367.470 4.379 0 40 FIAB CSc1ccc(-c2csc(NC(=O)c3cc(C(C)=O)c[nH]3)n2)cc1 11423706 IXEYOVRGRIZGMY-UHFFFAOYSA-N 357.460 4.315 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Nc2ccccc2O)cc1C(C)C 11566273 DEDBNZYZNAMEHR-UHFFFAOYSA-N 363.479 4.495 0 40 FIAB Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3ccc(F)cc3)o2)c1C 12767735 UUWJVRBEJOXFML-UHFFFAOYSA-N 366.392 4.071 0 40 FIAB Fc1ccc(-n2ncc3c(N4CCC[C@H]4c4cccs4)ncnc32)cc1 12813629 GJPRXHDIFKGROV-INIZCTEOSA-N 365.437 4.358 0 40 FIAB CCCc1noc([C@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)n1 12863915 AKBZGODQSGYOQE-HUYFXPKMSA-N 359.430 4.303 0 40 FIAB CCC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 12918953 KUXGJVIKQCZNLD-UHFFFAOYSA-N 368.458 4.405 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(F)cc2F)cc1Br 12996357 YSJRXVJUXDJENR-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB Cc1c(-c2ccccc2)sc2ncn(C[C@@H](O)c3ccccc3)c(=O)c12 14189562 RGMRGONKNRNXAP-QGZVFWFLSA-N 362.454 4.167 0 40 FIAB C[C@@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1cccs1 14226755 MCWVJELSFKWLLQ-CQSZACIVSA-N 358.507 4.043 0 40 FIAB CCCCOC(=O)COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 14675469 OJXLRIAZSLTVHE-UHFFFAOYSA-N 367.401 4.303 0 40 FIAB O[C@@H](CNCc1ccccc1OCc1ccc(F)cc1)c1ccccc1 16477541 UKZCSOSOSSBFNO-NRFANRHFSA-N 351.421 4.228 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)c1nn2c(=O)c3ccccc3nc2s1 17073868 UPMQOHUJFCUXFM-SNVBAGLBSA-N 357.822 4.098 0 40 FIAB Nc1nc(Cl)nc(Nc2ccccc2SC(F)(F)C(F)(F)F)n1 18192181 PGBPCSLMHMVZPM-UHFFFAOYSA-N 371.722 4.098 0 40 FIAB C[C@H](Oc1ccccc1F)C(=O)NCCc1nc(-c2ccccc2)cs1 19080208 XKMLNSVIIYNCNW-AWEZNQCLSA-N 370.449 4.075 0 40 FIAB Cc1nc(-c2ccc(C(=O)NCc3cc(CC(C)C)no3)cc2)cs1 19285612 KJQMJONZHWRGDJ-UHFFFAOYSA-N 355.463 4.235 0 40 FIAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NCCC1=CCCCC1 19298270 JXUFKKBEBTYQFR-UHFFFAOYSA-N 359.470 4.315 0 40 FIAB O=C(NC1CCN(c2nc(-c3ccccc3)cs2)CC1)C1CCCC1 19374339 CWBYZVPDRTVAKM-UHFFFAOYSA-N 355.507 4.085 0 40 FIAB CN(C)Cc1ccccc1Cn1cncc1-c1cnn(C2CCCCC2)c1 19720011 PYYKLLGUZSCIMZ-UHFFFAOYSA-N 363.509 4.362 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)c1C 20488028 RLBGHJNRIMBERQ-LJQANCHMSA-N 355.434 4.276 0 40 FIAB CC(C)CSc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 20819049 DKWIXOBPFOGBEE-AWEZNQCLSA-N 356.495 4.354 0 40 FIAB CC[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 22618585 POQRXGPWTKLQLY-IAQYHMDHSA-N 359.297 4.053 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)[C@@H](C)CC)c1ccccc1 24131916 MUFJFRUCONTSQV-KXBFYZLASA-N 355.434 4.354 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1ccccc1CN1CCCC1 24189513 IURKTFBAYFSEFG-KRWDZBQOSA-N 354.519 4.079 0 40 FIAB Cc1cc(C(=O)NCCCOC2CCCCC2)c(C)n1Cc1ccco1 24294604 QYSZFVWGGZRAEK-UHFFFAOYSA-N 358.482 4.215 0 40 FIAB COc1ccccc1-n1c(S[C@@H]2CCCC2=O)nnc1-c1cccs1 25053815 SAUODNSOQBZCFE-OAHLLOKOSA-N 371.487 4.218 0 40 FIAB CCCC(=O)Nc1nnc(-c2ccccc2-c2cccc(C(=O)O)c2)s1 27914154 SUARGFABQMCQCA-UHFFFAOYSA-N 367.430 4.309 0 40 FIAB O=C(CSc1noc(-c2cccnc2)n1)Nc1cccc2ccccc12 28527062 JIBYEOUUYIRNRL-UHFFFAOYSA-N 362.414 4.016 0 40 FIAB Cc1ccc(-n2ncc(C(=O)Nc3ncc(C)s3)c2C(F)(F)F)cc1 29600221 VGKPTHWBUWIZBH-UHFFFAOYSA-N 366.368 4.217 0 40 FIAB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCOc2ccccc21 30577121 SSUVOGRAXCUDBS-UHFFFAOYSA-N 370.861 4.432 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 30862672 ZLAGCRKYZWNGKI-SFHVURJKSA-N 367.898 4.414 0 40 FIAB COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1Cl 31054529 CKKSRXCESJQCCD-UHFFFAOYSA-N 354.189 4.041 0 40 FIAB Cc1ccc(CNC(=O)CSCc2csc(-c3ccco3)n2)cc1 31420625 SDGGPGHQVIGSQZ-UHFFFAOYSA-N 358.488 4.261 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)on2)cc1 32827077 SRDKYVZAFSCQQO-UHFFFAOYSA-N 355.781 4.206 0 40 FIAB CC(C)(C)C(=O)COC(=O)c1[nH]c2ccc(Br)cc2c1Cl 32937220 WJTOPJOSCHPCMY-UHFFFAOYSA-N 372.646 4.356 0 40 FIAB O=C(NCc1ccco1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849024 HMXCGMPMTSQLJJ-AWEZNQCLSA-N 367.276 4.115 0 40 FIAB Cc1nc2ccc(C(=O)N(C)CCOc3ccc(Cl)cc3)cc2nc1C 39980510 NMDHJNSBLNEYTH-UHFFFAOYSA-N 369.852 4.051 0 40 FIAB Cc1ccc(-n2nc(C)c(CC(=O)Nc3nccs3)c2C)cc1Cl 40128187 NZBAWCUXVTXXAL-UHFFFAOYSA-N 360.870 4.089 0 40 FIAB Cn1ccnc1COc1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 40139760 DLQFXGKLBAZHJW-WEVVVXLNSA-N 357.413 4.423 0 40 FIAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)NCc1cccs1 40143594 ANOBVDKVSMATKL-UHFFFAOYSA-N 374.462 4.439 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccccc1OC(F)(F)F)c1cccs1 43879343 GCVVYMBOVVSPKS-GFCCVEGCSA-N 373.400 4.071 0 40 FIAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC(F)F 47892287 FVRSGRKLPZEDBE-GHMZBOCLSA-N 367.314 4.148 0 40 FIAB CCC1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 48288701 ZIPSRZQXSUMLSC-UHFFFAOYSA-N 353.491 4.045 0 40 FIAB CC(C)Oc1ccc(-c2cc(C(=O)NCCc3ccccc3)no2)cc1 61997134 RJKRDFPCKBMLFD-UHFFFAOYSA-N 350.418 4.101 0 40 FIAB Cn1cc([C@H]2C[C@H]2C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cn1 69166075 GUZWONWGUAJLSL-WOJBJXKFSA-N 365.864 4.410 0 40 FIAB Cc1c(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)sc2ccccc12 69950946 LWPODIXUTTVVCY-HOTGVXAUSA-N 359.491 4.010 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH]c(=S)cc2C)cc1 72218358 OHILAWKQLAYGSA-QGZVFWFLSA-N 362.520 4.277 0 40 FIAB FC(F)Oc1ccccc1CN1CCC(Sc2ccccn2)CC1 72308933 KOZOIHDPAXRPLF-UHFFFAOYSA-N 350.434 4.440 0 40 FIAB CC(C)(C)C(=O)NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 72346374 KKEFIKFQUCHTFJ-UHFFFAOYSA-N 361.486 4.080 0 40 FIAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)C2CCC2)n1 72376991 XZSWYLXJIJRJQB-KRWDZBQOSA-N 370.884 4.233 0 40 FIAB COc1cc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)ccc1SC 78736719 PZSSXMLQHOSXEJ-SFHVURJKSA-N 370.518 4.045 0 40 FIAB O=C(CCCOc1cccc(F)c1)N(Cc1ncc[nH]1)c1cccc(F)c1 78996374 CULGYZUNPBWSPE-UHFFFAOYSA-N 371.387 4.080 0 40 FIAB O=C(c1ccnc(Br)c1)N1CCC[C@@H](c2ccccc2)CC1 79097080 CVRBIOXZBMVESK-OAHLLOKOSA-N 359.267 4.254 0 40 FIAB COc1cccc(C(=O)Nc2cc([C@H]3C[C@H]3C)nn2-c2ccccc2)c1F 89236205 HTTQBJNVUZBGRG-CJNGLKHVSA-N 365.408 4.396 0 40 FIAB O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 91690321 UJAGASPFRZUBLS-UHFFFAOYSA-N 372.852 4.327 0 40 FIAB CN1[C@@H]2CC[C@@H]1CC(NC(=O)N1c3ccccc3CCc3ccccc31)C2 100923361 JTUZTJBWWIKYRI-WOJBJXKFSA-N 361.489 4.258 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 101276851 GSACJWBQTIWMKZ-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB CSc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 101353690 YLFZASMBANUVLV-INIZCTEOSA-N 355.854 4.104 0 40 FIAB S=C(NCCSCc1ccco1)Nc1ccc(Br)cc1 107003929 GAZFFIWSLXUPRB-UHFFFAOYSA-N 371.325 4.262 0 40 FIAB Cc1ccc2[nH]c(C(=O)N(Cc3ccco3)C3CCN(C)CC3)c(C)c2c1 129747989 LQQINXVFCDHIPP-UHFFFAOYSA-N 365.477 4.114 0 40 FIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)cc2)S1 222560251 OETLXCHTJOVXMO-XZJROXQQSA-N 374.307 4.433 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1C)c1ccc2c(c1)CCCC2 223144558 KWIWKISZSUERES-IBGZPJMESA-N 361.482 4.443 0 40 FIAB COc1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1C 223221195 HKKBSODTCPHVLG-UHFFFAOYSA-N 351.490 4.418 0 40 FIAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1C(C)C 223291007 LWOXGJBYNNDUPR-QVKFZJNVSA-N 369.461 4.144 0 40 FIAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 223374720 FZVWEXMGKRWMID-GFCCVEGCSA-N 359.297 4.037 0 40 FIAB O=C(CSc1ccc(Cl)cc1)NCCOc1ccc(Cl)cc1 223389047 MCOVTIQHXFQGBO-UHFFFAOYSA-N 356.274 4.281 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(C)cc3)ccc2c1 224020679 BQIQSMDLZCJWPL-OAHLLOKOSA-N 355.459 4.196 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SC(C)C)s1 224082612 ZHYICOMNQXSVFZ-LLVKDONJSA-N 371.915 4.488 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COC(C)C 224721767 WHRYELLQCUDXGF-UHFFFAOYSA-N 370.449 4.221 0 40 FIAB COC(=O)c1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1C 225446645 IFBIWQLXVQBSRT-UHFFFAOYSA-N 372.490 4.055 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 225730690 UVDHBOBDMUIHGV-IAGOWNOFSA-N 363.571 4.128 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cccc(C(F)(F)F)c3)c2c1 225755441 JKRUSFIHSFMIJE-UHFFFAOYSA-N 374.362 4.276 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)Nc1ccccc1OC)CC(C)(C)O2 225769576 GBCFZPLVHLFXGO-INIZCTEOSA-N 356.422 4.128 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 247991598 MVTUQUDYXZAYQX-JSJNYSNDSA-N 356.510 4.304 0 40 FIAB CC(C)n1nccc1-c1ccc(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257216641 CVMQHQLEMKYLLL-GOSISDBHSA-N 368.525 4.353 0 40 FIAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccccc3Cl)nn2)c1 408529884 HVGXMVBUTPWUQR-UHFFFAOYSA-N 370.792 4.033 0 40 FIAB CNC(=O)c1cc(Oc2cccc(N[C@H](C)C3CC(F)(F)C3)c2)ccn1 529580028 QVPOBYSTQMKPIE-GFCCVEGCSA-N 361.392 4.079 0 40 FIAB CCN(CC)C(=O)c1ccc(C(=O)N[C@@H]2CCCc3ccc(C)cc32)cc1 557836537 JYBVHNXIDYWEOQ-OAQYLSRUSA-N 364.489 4.284 0 40 FIAB O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N1CCC(c2ccccc2)CC1 558937610 IIYXCLBBVXQRDZ-HRTMPFAESA-N 371.521 4.147 0 40 FIAB Cc1cccc2nc(C3CCN(C(=O)Cc4ccc(Cl)cn4)CC3)oc12 585082047 VNJDKTCQAGCRHU-UHFFFAOYSA-N 369.852 4.133 0 40 FIAB Cc1cc(Nc2ncccn2)cc(C2CCN(C[C@@H]3CC=CCC3)CC2)n1 585176602 QHKZROBZWHRQAU-GOSISDBHSA-N 363.509 4.459 0 40 FIAB CNC(=O)[C@@H]1CCCc2sc(/C=C/c3cccc(OC4CC4)c3F)nc21 656613314 ISERPBULGXYDRM-BMGYJQCNSA-N 372.465 4.160 0 40 FIAB CCn1cc([C@H]2CSCCN2C(=O)C[C@@H]2CCCc3ccccc32)cn1 683360702 KTWUUFVMXSEZSU-FXAWDEMLSA-N 369.534 4.030 0 40 FIAB O=C1N[C@H](c2ccccc2F)C(=O)N1c1cccc(-c2cccs2)c1 683610582 WWWFFNICDJMXMF-QGZVFWFLSA-N 352.390 4.352 0 40 FIAB C[C@@H](NC(=O)[C@@]1(C)COc2ccccc2O1)c1ccc(F)c2ccccc12 1544964354 UWPZOFWYDZDIKI-JLCFBVMHSA-N 365.404 4.386 0 40 FIAB O=C(c1ccc(NC(=O)N2CCOc3cc(F)ccc3C2)cc1)C1CCC1 1616042631 LNXCYGCUILENKG-UHFFFAOYSA-N 368.408 4.235 0 40 FIAB O=C(NCc1cc(-c2ccoc2)cs1)c1ccc(C(F)(F)F)nc1 1775969842 NZTXHXNMSYSCDQ-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB Cc1cccc(NC(=O)c2sc3nc(C)cc(C(F)(F)F)c3c2N)n1 706144 SYFOXYXOYPANJJ-UHFFFAOYSA-N 366.368 4.161 0 40 FIAB O=C1C(Cl)=C(Nc2ccccc2Cl)C(=O)N1c1cccc(Cl)c1 944181 ZCHKCFLGBDWYOT-UHFFFAOYSA-N 367.619 4.429 0 40 FIAB COc1ccc(C)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl 2308278 OXHXAOXPXKKDRK-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)c(F)c1)CO3 2449929 DYJQOSYZTSDIMQ-UHFFFAOYSA-N 357.356 4.299 0 40 FIAB CCc1cccc(CC)c1NC(=O)CCNC(=O)c1ccc(Cl)cc1 2630811 UAPMZGHDXFIRFM-UHFFFAOYSA-N 358.869 4.223 0 40 FIAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc4c(c3)OCCO4)C(=O)O2)cc1 3216125 IMRRPKPGWHSMLX-SFQUDFHCSA-N 363.413 4.100 0 40 FIAB Cc1cccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1C 3239185 VTGJYAAMRMJLQE-UHFFFAOYSA-N 369.436 4.436 0 40 FIAB O=C(OCC(=O)N1CCCc2ccccc21)c1cccc(Cl)c1Cl 3263058 GDXIPCQBPRLZKV-UHFFFAOYSA-N 364.228 4.130 0 40 FIAB O=C(CCCNC(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2ccccc21 3458074 MDUMLPRBASKKFN-LJQANCHMSA-N 370.880 4.044 0 40 FIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccc(F)c(F)c2)c1 4120318 ADPFHVMGNVEONW-UHFFFAOYSA-N 360.429 4.327 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OCC 4162591 SHKJGLYGSSEIDR-UHFFFAOYSA-N 353.374 4.261 0 40 FIAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(-[n+]3ccccc3)n2)cc1 4869532 LFJQNEUXWMUOCC-UHFFFAOYSA-N 369.452 4.252 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCC2)cc1 4897791 QZPRRNYPEMOTCZ-RGEXLXHISA-N 368.502 4.276 0 40 FIAB CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@H]32)O1 4946283 PQAKWFPNNZNIJB-XGFHXOJWSA-N 350.499 4.312 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)cccc3C)n2)cc1 5180323 ZVGPQIZUZQHDLL-UHFFFAOYSA-N 366.490 4.382 0 40 FIAB CCn1c(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c2cc(OC)ccc21 5348697 PEYNNYRWNOVXBZ-UHFFFAOYSA-N 366.417 4.002 0 40 FIAB COc1cc(C(C)=O)ccc1OCc1nnc(-c2ccc(Cl)cc2)o1 5455523 YGWAYDLGWRRNHD-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB C[C@H]1CCC[C@H](NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C 5834496 XTOLYXKPYLHHQR-OZVIIMIRSA-N 372.292 4.020 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 6167915 TZPRITLHFVQGLY-UHFFFAOYSA-N 363.442 4.339 0 40 FIAB CCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(C(=O)OC)=C1C 6654648 YYSCLGSPDJGJFP-XFXZXTDPSA-N 354.233 4.076 0 40 FIAB CC(C)(CO)NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 6883151 ZRWONAGQFUZSGG-UHFFFAOYSA-N 354.277 4.433 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(N2CCCC2=O)c1 6987996 YURUERUEJVDLAI-UHFFFAOYSA-N 361.401 4.029 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(CN2CCCC2=O)c1 8137306 UJGIWZUHZPJOFX-UHFFFAOYSA-N 372.852 4.032 0 40 FIAB O=C(NCc1ccccc1)c1cccc(OCc2nc3ccccc3o2)c1 8222437 YGMAJYSWVZPQIH-UHFFFAOYSA-N 358.397 4.337 0 40 FIAB CCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Cl)ccc2O3)cc1 8569302 HFAQCQXGGCZCAF-UHFFFAOYSA-N 354.793 4.186 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1 8708501 KCPNCWIQWKVKCZ-UHFFFAOYSA-N 361.445 4.212 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)oc2ccc(F)cc12 8915693 IRMQCGQTGLALMW-INIZCTEOSA-N 356.397 4.040 0 40 FIAB CCNc1c(NC(=O)Nc2ccc(CC)cc2)c(=O)oc2ccccc12 9607314 YQTMHPNRCKOCSK-UHFFFAOYSA-N 351.406 4.431 0 40 FIAB Fc1cccc(-c2nnc3sc(COc4ccccc4Cl)nn23)c1 10311611 VUDRVLJSNNRTOP-UHFFFAOYSA-N 360.801 4.224 0 40 FIAB CSc1ccc(CN(C)CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1 11223321 QKCLQVRDFLTGPX-NRFANRHFSA-N 374.525 4.493 0 40 FIAB CC(C)Cc1cc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)n[nH]1 12321715 QYWUHWDGYQOCCW-UHFFFAOYSA-N 364.434 4.188 0 40 FIAB C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1ccc(OC(F)F)cc1 12556732 QRWSWYXBPKYOCM-LLVKDONJSA-N 363.389 4.055 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 12562555 QTPMIBYOJKNBJL-CQSZACIVSA-N 371.868 4.214 0 40 FIAB O=C(CCc1ccco1)Nc1nc2ccc(OC(F)(F)F)cc2s1 12742692 FRZQZGVBTAAJJV-UHFFFAOYSA-N 356.325 4.359 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1c(F)cccc1F 13695024 CYVDXNHCPCDLSH-UHFFFAOYSA-N 370.399 4.296 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NC(C)C)c1 14009189 VPDQYLFGWCKXJJ-UHFFFAOYSA-N 368.477 4.274 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)c1 15828391 ITUIKHCSZHPLCF-LJQANCHMSA-N 350.418 4.162 0 40 FIAB CCc1ccc(OCC(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832589 VIZBNRFAUAOEQU-UHFFFAOYSA-N 366.486 4.376 0 40 FIAB Cc1ccc(SCCNC(=O)c2ccccc2Br)cc1 17341112 YZVAZGHTAUPDIR-UHFFFAOYSA-N 350.281 4.280 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc(F)cc(F)c1 17668800 STOUYEREHXOZHS-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 18048826 OJPWHRBJSHJINX-QGZVFWFLSA-N 358.445 4.013 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](c2ccncc2)c2cccs2)cc1C 19214217 MGTKIAXPULWWLH-OXJNMPFZSA-N 366.486 4.433 0 40 FIAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2)c1 19234730 HFBFASDKQXDGQV-FQEVSTJZSA-N 360.461 4.076 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 20105567 NLJWJHQVFGDIIP-MRXNPFEDSA-N 373.518 4.324 0 40 FIAB Cc1ccc(/C=C/C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)o1 20883861 RVNYNFFLBOBOLF-ZHACJKMWSA-N 369.417 4.012 0 40 FIAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(C(F)(F)F)c1 23230046 NMKMSIUDPIFVPY-QGZVFWFLSA-N 369.408 4.404 0 40 FIAB COc1ccc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cn1 25067035 DPZCYSCZBBAHHD-UHFFFAOYSA-N 352.434 4.127 0 40 FIAB O=c1nc(SCc2ccccc2)c2c(n1CCc1ccccc1)CCC2 27994068 RNTCKWHSXDYXEM-UHFFFAOYSA-N 362.498 4.267 0 40 FIAB O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1C[C@H]1c1ccccc1 28229931 XRYXCTUMHNIZGW-ZWKOTPCHSA-N 351.837 4.327 0 40 FIAB Cc1cccc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c1C 28238485 FWLYOJXUSVYNHF-UHFFFAOYSA-N 351.372 4.425 0 40 FIAB COc1cccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)c1 31553682 GBIPNNPKCCBPNT-UHFFFAOYSA-N 373.250 4.429 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)CCCc1nnc(-c2ccccc2)o1 32487569 SCROBMDPQKOEAS-QGZVFWFLSA-N 363.461 4.197 0 40 FIAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3ccccc3)cc(=O)c2c1 33063676 XFLIIJXESJYBEG-UHFFFAOYSA-N 352.459 4.017 0 40 FIAB COC(=O)c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1 33498354 OMPFWETVXJWFPZ-QINSGFPZSA-N 367.426 4.488 0 40 FIAB C=Cc1ccc(Cn2c3ccccc3n3c(=O)cc(C(F)(F)F)nc23)cc1 40484683 HOVKTSSTBDHQRH-UHFFFAOYSA-N 369.346 4.359 0 40 FIAB O=C(Nc1ccccc1)[C@H](Nc1ncnc2sccc12)c1ccccc1 54389255 IAXFCPQMJSGNJG-QGZVFWFLSA-N 360.442 4.483 0 40 FIAB Cc1nnc(-c2ccccc2NC(=O)CSc2ccc3c(c2)CCC3)o1 58183460 FFZVSLXQQATAGK-UHFFFAOYSA-N 365.458 4.265 0 40 FIAB COCCOCc1cccc(NC(=O)c2[nH]c3ccccc3c2Cl)c1 58213363 MENUQMPRNZRJCQ-UHFFFAOYSA-N 358.825 4.237 0 40 FIAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3nnc(C(C)C)s3)no2)cc1 61997179 VDBCRHJYAUJZJK-UHFFFAOYSA-N 372.450 4.356 0 40 FIAB CN1CCCc2cc(NC(=O)c3ccc(COc4ccccc4)o3)ccc21 64846767 XBRAMHKKKZXDGM-UHFFFAOYSA-N 362.429 4.493 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)SCc2ccccc2)cc1OC 65091460 HLSNEFDTZXQEHO-INIZCTEOSA-N 373.518 4.075 0 40 FIAB Cc1cccn2cc(CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)nc12 65475617 YXLQYVHOXPRGNF-NRFANRHFSA-N 365.452 4.372 0 40 FIAB Clc1cccc(/C=C/c2nn3c(CN4CCCCCC4)nnc3s2)c1 71260613 AOAQTOSRBYFBMF-CMDGGOBGSA-N 373.913 4.386 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N(c1nc(C)cs1)C1CC1 76040708 XHAVALJQQBEWJW-OAHLLOKOSA-N 356.491 4.466 0 40 FIAB Cc1ccccc1S[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 84247634 XREDMCNWTXEQDP-GOSISDBHSA-N 357.450 4.448 0 40 FIAB C[C@@H](OC(=O)Cc1coc(-c2cccs2)n1)c1nc2ccccc2o1 95462439 YRDDVINUJONLIU-LLVKDONJSA-N 354.387 4.391 0 40 FIAB O=Cc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 98210684 JKUNFYDSBSPOOV-QMMMGPOBSA-N 367.039 4.065 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)c(C)c1 100423620 IGFNRAFAQVZOFX-ROUUACIJSA-N 369.534 4.378 0 40 FIAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 219024003 NBJUWMLQOHKUNL-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCOc2ccc(F)cc2)c1 225189824 CNEREYSSLQYPAP-MRXNPFEDSA-N 359.441 4.220 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2Cl)c1C 225372033 GQGGUYCRPUNZOB-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB CCc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1 226253192 NGVIFTCDKCEWLB-MRXNPFEDSA-N 367.493 4.228 0 40 FIAB C[C@H](NCCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C 254017823 OQLPSYJNZRYLOQ-CXJYHRMHSA-N 370.581 4.404 0 40 FIAB C[C@@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1cc2ccccc2o1 332968886 JSZWQFACCBZQKM-IVZQSRNASA-N 362.429 4.335 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408707543 KHTFHAFQWDHBES-ZDUSSCGKSA-N 360.816 4.088 0 40 FIAB COc1ccc(OC)c(-c2nc(O)c3c4c(sc3n2)CCCCC4)c1 408993371 WHPIWQVESZSIEM-UHFFFAOYSA-N 356.447 4.350 0 40 FIAB O[C@@H]1[C@@H](NCc2cccc(Cl)c2)CCC[C@H]1Oc1ccc(Cl)cc1 585289020 MKXDNJDNMGIEGL-IPMKNSEASA-N 366.288 4.444 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(F)(F)F 1256474924 OAPABJSMZYQLBV-UHFFFAOYSA-N 371.789 4.230 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1C 846915 ABUSEUFVKGGTMT-OAHLLOKOSA-N 351.402 4.124 0 40 FIAB COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1Cl 881967 GRVDIUYKFBEYKO-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB CCc1nc(SCC(=O)N2CCCc3ccccc32)c2ccccc2n1 1332552 WNPCUWUYPRGFDM-UHFFFAOYSA-N 363.486 4.264 0 40 FIAB Cc1nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2nc1C 1427361 KQJROGJPCOYESB-UHFFFAOYSA-N 369.490 4.345 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1 2453481 YDQZBWMKVGTHLR-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB CCOP(=O)(OCC)c1nc(-c2cccc3ccccc23)oc1NC 2908144 JRSUBZCQXQYVGJ-UHFFFAOYSA-N 360.350 4.428 0 40 FIAB CCCCCNC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1 2971695 RHLRIDAGTSOYGO-UHFFFAOYSA-N 359.495 4.094 0 40 FIAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccc(F)c1 3329162 LPEBNLHLYPZWQU-UHFFFAOYSA-N 374.466 4.020 0 40 FIAB CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nc2ccccc21 4289575 OGCZKRTZGUJQFS-CQSZACIVSA-N 351.475 4.126 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(C(=O)O)cs2)cc1 4478105 RDKOICWNBKQNJY-UHFFFAOYSA-N 353.325 4.021 0 40 FIAB CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C)cc2)CC1 4622038 CPETXMGAKBJFRZ-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB Cc1cccc(OCc2nn3c(-c4cccc(Cl)c4)nnc3s2)c1 4664970 GIDPACNJOAFNHG-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB CC1=C(C)C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)[C@H](C(=O)O)C1 5017673 ZBXDILHDMKPLCT-WOJBJXKFSA-N 363.457 4.339 0 40 FIAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)c3cccs3)sc2c1 5121592 UUBZTOCQNMEAKY-UHFFFAOYSA-N 359.520 4.183 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CC2)c1C 5226228 ISYUBWFUWKFLEP-OAHLLOKOSA-N 368.546 4.452 0 40 FIAB Cc1sc2ncn(Cc3csc(-c4ccccc4)n3)c(=O)c2c1C 5319344 BHIZNJKDGCNUBD-UHFFFAOYSA-N 353.472 4.247 0 40 FIAB COc1ccc(C)cc1/C=C/C(=O)Nc1nnc(Cc2ccccc2)s1 5405296 ISGMHEFQKTVWBD-PKNBQFBNSA-N 365.458 4.098 0 40 FIAB CCCCc1nc2sc3c(N[C@H](CC)CO)ncnc3c2c2c1CCC2 5477778 YMJAGNTWYKUZEP-GFCCVEGCSA-N 370.522 4.254 0 40 FIAB COc1cccc(NC(=O)CCCOc2cccc(Br)c2)c1 5558391 CRIAYVULCDUWGC-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB Cc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1C 5739934 ZVMJLVOSXFQGMO-UHFFFAOYSA-N 358.445 4.251 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980764 RPSVTPARPUTGFD-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 6341860 KORIBLLPTWZSHS-UHFFFAOYSA-N 352.415 4.142 0 40 FIAB Cc1nc(SCC(=O)Nc2nc3ccccc3s2)nc2ccccc12 6527699 WEHHIUZONRBTBJ-UHFFFAOYSA-N 366.471 4.279 0 40 FIAB C[C@@H](OC(=O)c1ccc2ccccc2n1)c1nnc(-c2cccs2)o1 6840689 FIAHYBVYOCBHNX-LLVKDONJSA-N 351.387 4.264 0 40 FIAB Cc1cccc2sc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)nc12 7279281 APIPCISENZPUCD-AWEZNQCLSA-N 373.503 4.059 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1Cl 7406747 RHONVDYCKSXKDU-HNNXBMFYSA-N 366.248 4.040 0 40 FIAB Cc1ccc(C(=O)CSc2nccn(-c3ccc(C)c(C)c3)c2=O)cc1 7615785 FJHXKCNMEVDDKE-UHFFFAOYSA-N 364.470 4.133 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 7642173 KISVUUGIJQTGGS-UHFFFAOYSA-N 358.441 4.220 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 7851025 HHUPUXIIBFVPKO-UHFFFAOYSA-N 367.251 4.403 0 40 FIAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)n(CC(C)C)c1C 8136214 IBLMRQOWJZQHFX-CYBMUJFWSA-N 366.918 4.324 0 40 FIAB O=C(NCc1cccc(Cl)c1)c1cc(C2CC2)nn1-c1ccccc1 8273884 HYEIHKXTQDYHBV-UHFFFAOYSA-N 351.837 4.333 0 40 FIAB CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 8312856 NYIFVRPFLVNYRL-UHFFFAOYSA-N 353.466 4.270 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)Sc2nnc3ccccn23)cc1 8392723 QEJPCBRCGVXQFU-UONOGXRCSA-N 354.479 4.362 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1C 8683905 NSPUFIGAAQSBEK-UHFFFAOYSA-N 353.447 4.462 0 40 FIAB CCCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 9376418 QTCOMTZECMDKQB-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB COc1ccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3C)cs2)cc1 9468725 VIXFEASOPCEFBU-QGZVFWFLSA-N 351.431 4.015 0 40 FIAB CC(C)[C@H](NC(=O)N(C)C[C@H]1COc2ccccc2O1)c1ccc(F)cc1 9871125 ACNFXIFOTXOCNO-PXNSSMCTSA-N 372.440 4.004 0 40 FIAB Cc1cc2nnc(SCC(=O)Nc3ccccc3)n2c2c(C)cccc12 11903165 PXAARPGWXRXBFJ-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1 12062231 CDWKTLTUDOBNSD-UHFFFAOYSA-N 365.820 4.261 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1c1ccccc1F 12415490 BAEOPDQVJBHQSO-AUUYWEPGSA-N 358.438 4.159 0 40 FIAB Cc1cc(C)cc(OCC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c1 12506179 SWMZCDCRHSHACA-AWEZNQCLSA-N 373.403 4.304 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc(C)c2)cc1 12751716 OEDZNAYIWQKWML-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB CCn1c(SCc2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 12783908 RZGNRUQJUUQTIT-UHFFFAOYSA-N 363.874 4.417 0 40 FIAB C[C@H](Sc1ccccc1F)C(=O)N1c2ccccc2NC(=O)C1(C)C 12795580 LNQSKWYCXHSBMF-LBPRGKRZSA-N 358.438 4.070 0 40 FIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc(Cl)ccc1F 12974226 CKTQKMNDIHTWGQ-UHFFFAOYSA-N 362.788 4.306 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 12978483 DBTQOTVQVOGOJU-OAHLLOKOSA-N 367.923 4.472 0 40 FIAB C[C@H](Nc1ncnc2sc3c(c12)CC[C@@H](C)C3)[C@@H](O)c1ccc(O)cc1 14017301 KWKNZEJEOCTRQA-FTLABTOESA-N 369.490 4.056 0 40 FIAB Cc1nc2cc(C(=O)NCCOc3ccccc3)ccc2n1-c1ccccc1 15534598 VIFKZURYSAXXKS-UHFFFAOYSA-N 371.440 4.143 0 40 FIAB O=C(Oc1cccc(Br)c1)c1cc(-c2cccs2)on1 15669796 LGNXFAHOQIQNPV-UHFFFAOYSA-N 350.193 4.385 0 40 FIAB Cc1ccc(-c2csc(NC(=O)CSc3ccccc3N)n2)cc1 17195818 OKHHGVNGXHPCCQ-UHFFFAOYSA-N 355.488 4.432 0 40 FIAB CCOc1ccc(OC(C)(C)C(=O)Nc2ccc(OCC)c(OC)c2)cc1 17371098 GYZSABNIPIDKIO-UHFFFAOYSA-N 373.449 4.289 0 40 FIAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)cc1 19209663 AFRNGYWMVHQROH-NRFANRHFSA-N 374.488 4.087 0 40 FIAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)cc1 20610340 ATTFXADYPVVVJH-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB CN(C)CCNCc1c(OCc2ccccc2F)ccc2ccccc12 22075918 UEMSAQAIJHDFRI-UHFFFAOYSA-N 352.453 4.209 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235251 LUFYQXZSOBNVQN-UHFFFAOYSA-N 352.821 4.162 0 40 FIAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC(C)CC3)c(O)n2n1 22853325 OMDFIRCILOQKDW-KRWDZBQOSA-N 370.522 4.189 0 40 FIAB CN(Cn1ncn(-c2ccccc2)c1=S)[C@H]1CCCc2ccccc21 23610966 ZPFFSBAGRGZARO-IBGZPJMESA-N 350.491 4.370 0 40 FIAB O=C(Nc1cccnc1-n1cccn1)c1cc2c(s1)-c1ccccc1OC2 25011259 UGISSHUFFYDHLS-UHFFFAOYSA-N 374.425 4.141 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 25279484 QRTFIOODSMWSAP-LBPRGKRZSA-N 352.463 4.014 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 26379301 VQTYJXYYBRGOPQ-STQMWFEESA-N 359.857 4.420 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1 27988966 UQWIXRSSAMNOAC-LBPRGKRZSA-N 357.410 4.059 0 40 FIAB COc1ccc(N(CC(=O)c2cccc(C)c2C)C2=NCCCS2)cc1 28527707 XRNQKDFPFMQHFT-UHFFFAOYSA-N 368.502 4.494 0 40 FIAB CSc1nc2ccc(NC(=O)c3cnc4onc(C)c4c3)cc2s1 30891932 BMNPTVVNJJUTFI-UHFFFAOYSA-N 356.432 4.115 0 40 FIAB Cc1c(Br)c(C(=O)Nc2c(Cl)cccc2Cl)nn1C 32647693 RIDNKWKMNCGEMY-UHFFFAOYSA-N 363.042 4.050 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCC1(c2ccccc2)CC1 32802100 TZCOHAQUWRAZDA-UHFFFAOYSA-N 374.488 4.020 0 40 FIAB CCN(Cc1ccc(Br)s1)C(=O)NCCc1ccccc1 32826273 WXRZNOWLPIYOSS-UHFFFAOYSA-N 367.312 4.285 0 40 FIAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccccc3)[nH]c12 33063739 YQMBZQRSODSSJE-UHFFFAOYSA-N 352.459 4.017 0 40 FIAB CC(C)(C)OC(=O)NC1(c2ccc3cc(O)ccc3c2)COC(C)(C)OC1 36377897 VRDVPJZTTBEMBK-UHFFFAOYSA-N 373.449 4.048 0 40 FIAB CCN1C(=O)C(c2cc(O)ccc2C)(c2cc(O)ccc2C)c2ccccc21 36646377 AYVCUYQPNJZRBA-UHFFFAOYSA-N 373.452 4.416 0 40 FIAB O=C(C1CCCC1)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 36705239 IBBUAHGSBNLYCH-KRWDZBQOSA-N 355.507 4.025 0 40 FIAB CC[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1OC(F)F 40090592 SVDRJSDVUJPXFQ-DXBFTMOHSA-N 365.420 4.251 0 40 FIAB COc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1OC(F)F 47892286 FVRSGRKLPZEDBE-QWRGUYRKSA-N 367.314 4.148 0 40 FIAB Cc1ccc(OCc2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)o2)cc1 48325905 FJKSIHMTRFYQGV-LBPRGKRZSA-N 374.466 4.491 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364432 NHYUVHJGFKPMDR-IBGZPJMESA-N 358.441 4.408 0 40 FIAB Cc1cccn2c(=O)cc(CN[C@@H](c3ccc(F)cc3)C(C)(C)C)nc12 53644240 FVSWRCMAMSWESH-IBGZPJMESA-N 353.441 4.019 0 40 FIAB Oc1ccc(C2=CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 53814973 CFFUNGKPEOMFLK-UHFFFAOYSA-N 367.836 4.385 0 40 FIAB CSc1ccc(Cl)cc1NC(=O)NC1CCN(CC(C)C)CC1 58428234 NVVREEQBHOVIDW-UHFFFAOYSA-N 355.935 4.304 0 40 FIAB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccccc1)c1ccccc1 62714360 BWGNETXADKIVKD-QEQIRTOISA-N 371.436 4.039 0 40 FIAB Cc1cc([C@H](C)NC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)o1 67726245 RDCMRJUKMLSZKD-YWZLYKJASA-N 356.466 4.113 0 40 FIAB Cc1ccccc1CNS(=O)(=O)c1cccc(COc2ccccc2)c1 72264759 BXDKKNMTOLOTPV-UHFFFAOYSA-N 367.470 4.053 0 40 FIAB COc1cc(CNC(=O)c2ccccc2)ccc1OCc1ccccc1F 72427746 HFMGVHNRIFJMPL-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc2c(c1)CCN2 78403722 VQSSBCBSVNHVSX-UHFFFAOYSA-N 366.442 4.248 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)CNc1cccc(C(F)(F)F)c1 83970005 FQMSWIZWRJUBOJ-UHFFFAOYSA-N 364.367 4.105 0 40 FIAB O=C(Cc1coc(-c2ccccc2)n1)Nc1nnc(-c2ccsc2)s1 89851331 HLRLFWZZHDHZIJ-UHFFFAOYSA-N 368.443 4.103 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)CC2=O 100745769 TZJLSLPWZMTWCK-IAGOWNOFSA-N 350.256 4.173 0 40 FIAB CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@@H]32)cc1 101113403 OKSBTXFKAFWJRO-DEDQRHPVSA-N 358.532 4.155 0 40 FIAB Cc1ccc(C)c(C(=O)NCc2ccc([C@@H](O)c3ccccc3)s2)c1 207969224 ZRHBORSWPUIHSP-FQEVSTJZSA-N 351.471 4.377 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c(C)c1 219068554 LMZZXGKMVUKAEU-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C1CC1 222598918 YGDNRYJJWHXYCS-AGRHKRQWSA-N 352.507 4.424 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 222945451 PRFWLVIZADPDFZ-LLVKDONJSA-N 353.538 4.406 0 40 FIAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354167 HOXHZRPUQCOYCV-RBUKOAKNSA-N 366.490 4.230 0 40 FIAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 223745907 QHIBQOCGSHPOMB-ROUUACIJSA-N 367.499 4.329 0 40 FIAB Cc1ccccc1OCCNC(=O)c1cccc(OCc2ccccc2)c1 224270494 ARWVHTPEMDJAIH-UHFFFAOYSA-N 361.441 4.383 0 40 FIAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224646531 LJPLFXJEAFCPNF-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(C)c2)s1 225435582 JVKNQABLKAYMNR-ZDUSSCGKSA-N 351.497 4.145 0 40 FIAB CC(C)(C)CNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833946 BGOYMAZOIZHSQO-UHFFFAOYSA-N 363.461 4.499 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c(C)n1 225864619 BQNKHRDJZWYDTE-UHFFFAOYSA-N 354.450 4.248 0 40 FIAB Cc1cc(C)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225984712 VEPQDNHPBNPAJM-UHFFFAOYSA-N 354.523 4.282 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cnn(C[C@H]2CCCCO2)c1 390827010 DLNJEWVYUKWZPR-OAHLLOKOSA-N 368.359 4.115 0 40 FIAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC 408813799 DRWZLQMKNCHNIE-ATVHPVEESA-N 355.415 4.335 0 40 FIAB C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 527876971 WYBNSBNSTFMIEJ-HXPMCKFVSA-N 356.832 4.398 0 40 FIAB O=C(NCc1ccc(-c2cccs2)o1)c1cncc(Br)c1 575607765 CIFMYKGVYTZNMQ-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB CN1C[C@@H](Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)CCC1=O 1156565575 SRPICJPAHPSWEU-ZDUSSCGKSA-N 372.881 4.044 0 40 FIAB Cc1ccc(N[C@H](NC(=O)c2cccnc2)C(Cl)(Cl)Cl)c(C)c1 860620 WFTLSOZHUALAAC-OAHLLOKOSA-N 372.683 4.237 0 40 FIAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N(C)C)cc1 873270 UPSJTBYYLKGHLG-UHFFFAOYSA-N 353.249 4.385 0 40 FIAB CCc1nnc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)s1 902907 UMLGHEJVRZEOON-UHFFFAOYSA-N 372.519 4.305 0 40 FIAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccnc1Cl 921032 CFJMXOIWIQIGHP-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB C[C@@H](C(=O)OC1CCCCC1)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 949479 KRHJXDLPNAMSCS-OLZOCXBDSA-N 374.506 4.020 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(F)c(Cl)c1 1060470 HSDPJYKPWLFPJG-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1F 1343215 VXVJOBGWUFNVRL-KRWDZBQOSA-N 355.413 4.078 0 40 FIAB CCOC(=O)[C@H](C)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 1791350 ILOLFEDHCCEXCZ-LBPRGKRZSA-N 372.804 4.444 0 40 FIAB CCOc1ccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(C)cc2)cc1 1909469 OWTQNOTUBGZRSO-QHCPKHFHSA-N 365.497 4.044 0 40 FIAB Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccco1 2388400 NZNMAGSYIFYNOJ-UHFFFAOYSA-N 370.478 4.103 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2622582 ZJCPTLLVTAAADT-UHFFFAOYSA-N 365.458 4.128 0 40 FIAB COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 2630553 FLXKSQGCNFNBSL-UHFFFAOYSA-N 366.402 4.088 0 40 FIAB Cc1ccc(NC(=S)NC[C@@H](c2ccco2)N2CCCCC2)c(C)c1 3357830 QSAOESZUZPSIHM-SFHVURJKSA-N 357.523 4.410 0 40 FIAB O[C@@H](CNC1CCCC1)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4320495 ZIOICHLDYKLZBY-NIRMEOIISA-N 369.549 4.426 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1cccnc1 4329783 KJMSGCOGUDVZDF-GOSISDBHSA-N 352.825 4.174 0 40 FIAB COc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 4669064 JRMJSHZWZKKWPD-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@@]1(C)CC[C@@]2(C)OC(C)=O 4887309 IEWADZBTFLSQKS-BAGYTPMASA-N 354.446 4.106 0 40 FIAB c1csc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1 5024587 RAVHXCFSUWCWNG-UHFFFAOYSA-N 372.409 4.426 0 40 FIAB Cc1ccc2nc(N(CCN(C)C)C(=O)/C=C/c3ccccc3)sc2c1 5114986 ZHPBNYKZAMGNNX-ZRDIBKRKSA-N 365.502 4.213 0 40 FIAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccc2c(c1)OCO2 5325440 AYSOEWZABDDVCQ-NSHDSACASA-N 372.471 4.410 0 40 FIAB CC(C)[C@H](NC(=O)/C=C/c1cccc(F)c1)c1ccc2c(c1)OCCO2 5405743 XHKJNCXGZNVWSF-JLXBBBJOSA-N 355.409 4.124 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)c1cccc(Cl)c1 5458749 WOIICGHTKNJIDC-UHFFFAOYSA-N 368.658 4.383 0 40 FIAB Cc1ccc(N2C(=N)S/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1C 5746900 VORHXBOXAYMKQI-LIVKFUFGSA-N 352.415 4.088 0 40 FIAB O=C(Nc1ccc(F)cc1)c1ccccc1OCc1cn2ccccc2n1 7318730 BYPYDKYHMVOPPV-UHFFFAOYSA-N 361.376 4.305 0 40 FIAB CCOc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 7785802 PIGPTHGHFJNPTL-ZWKOTPCHSA-N 364.449 4.140 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1 8156292 FHKARGPTJXBKSF-UHFFFAOYSA-N 359.429 4.258 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)NCCCn1ccc2ccccc21 8189764 VZRUFHMUQDRWSS-UHFFFAOYSA-N 359.429 4.425 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc3ccccc3s2)c(C)c1 8203975 VIFKIKDNMPAKHO-UHFFFAOYSA-N 353.491 4.292 0 40 FIAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8778369 OMVPGBWLUZKUCW-HXUWFJFHSA-N 374.440 4.226 0 40 FIAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Cl 9462745 YAPHDIWIHNSOCV-UHFFFAOYSA-N 354.837 4.152 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(-n2cccc2)cc1 9645850 QPKGNYWBGDTMRL-UHFFFAOYSA-N 359.473 4.003 0 40 FIAB CCC[C@@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1 9678674 DTCUVVLRSKSRLU-LJQANCHMSA-N 361.449 4.197 0 40 FIAB CCN(CC)C(=S)SCC(=O)Nc1ccc(N(CC)C(C)C)cc1 10153960 XYQJZABCFKYGFM-UHFFFAOYSA-N 367.584 4.220 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc2[nH]cnc2c1 10551297 NSPGZRYUXWJUNU-UHFFFAOYSA-N 360.442 4.427 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCC1(c2ccc(F)cc2)CC1 11899801 TWVGYVIQXPXEPP-UHFFFAOYSA-N 368.235 4.359 0 40 FIAB Cc1cccc(-c2noc([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1 12416184 XXMNECBZBGNOFP-AWEZNQCLSA-N 353.809 4.219 0 40 FIAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 12535981 BWJJDVVAFMMMGO-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB CC(=O)Nc1ccc(NCC(=O)Nc2ccc(C)cc2)c(C(F)(F)F)c1 12540466 HISLRPLFSCNYOX-UHFFFAOYSA-N 365.355 4.023 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1 12612239 FNIZFBQKRHEVOZ-AOMKIAJQSA-N 360.457 4.285 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1N1CCCCC1 12641149 OFGRIKXTOHFQGP-LJQANCHMSA-N 365.521 4.444 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 12766987 FDMWZKQRIOCTTK-QFIPXVFZSA-N 358.441 4.473 0 40 FIAB O=C(COc1ccc(F)c(Cl)c1)Nc1cccc(OC(F)(F)F)c1 12866742 JLEPDYNXNCIOCV-UHFFFAOYSA-N 363.694 4.395 0 40 FIAB COc1ccccc1CCNC(=O)c1csc(-c2ccc(C)cc2)n1 12903927 GMRNJVPJIORPTP-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2N2CCCC2=O)cc1 12987131 JDWKYIGCCULUSR-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB CC(=O)c1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1 12999711 ZWWJLALEOVZPCR-UHFFFAOYSA-N 366.442 4.485 0 40 FIAB COc1cc(CCC(=O)Nc2ccc(Cl)cc2C)cc(OC)c1OC 13038538 NKZJECBYXFBQIN-UHFFFAOYSA-N 363.841 4.246 0 40 FIAB Cc1ccc(OCc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1C 13367748 GNTNUAYCJTUIBX-UHFFFAOYSA-N 363.442 4.014 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCCCC1 13648968 ZGCMJHQGASJDFT-GOSISDBHSA-N 360.542 4.134 0 40 FIAB CC1CCN(Cc2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)CC1 14129197 GCQYYJUGMQZOTB-UHFFFAOYSA-N 368.506 4.038 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccccc3Cl)c12 14898356 HRAKQKFGVFBLGG-UHFFFAOYSA-N 366.808 4.442 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 15080494 LVNYIVPSAIFHAS-QGZVFWFLSA-N 370.880 4.393 0 40 FIAB COc1ccc([C@@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)cc1O 15109998 FMVZCQBDLZNJPX-ZDUSSCGKSA-N 367.430 4.075 0 40 FIAB CCc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)C([N+](=O)[O-])=C3C=CC=CN32)cc1 15565932 GDAHNOHVAAJMCI-RBBKRZOGSA-N 372.424 4.472 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)NCc2ccc3c(c2)OCO3)cc1 17334833 RKMJZRUOPNQREW-UHFFFAOYSA-N 351.427 4.382 0 40 FIAB C[C@@H]1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 17362879 SOBCWJYTJRLCNZ-MRXNPFEDSA-N 368.546 4.267 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccncc3)cc12 17585109 MUQGEJZEQQVBBR-UHFFFAOYSA-N 352.394 4.182 0 40 FIAB Cc1cccc2cnc(C3CCN(C(=O)c4cc(C5CC5)on4)CC3)cc12 19236690 XLBASYHMXRWKBU-UHFFFAOYSA-N 361.445 4.428 0 40 FIAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C2CCCC2)c1 19690460 MWESMGWAXZVGLS-FQEVSTJZSA-N 366.509 4.298 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(CN(CC)CC)cc1 19934073 FOQQIYATQFNODC-QGZVFWFLSA-N 354.494 4.497 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 22524912 RUCKTEDXNVAGHP-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB COc1ccc(S[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 25033440 ASEGLENDFDDTAU-GFCCVEGCSA-N 353.451 4.059 0 40 FIAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 25285428 NOQHRTWFOIVYQI-QFIPXVFZSA-N 361.489 4.070 0 40 FIAB CN(C)[C@@H](CNC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccsc1 25330660 UITXZNIAKSOMGF-IBGZPJMESA-N 358.551 4.397 0 40 FIAB C[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1c(F)cccc1Cl 26333051 HRXQHWQNZLCXPV-ZDUSSCGKSA-N 371.843 4.486 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2C)cc1OC 27027722 RFQXDEJHIYCRKB-UHFFFAOYSA-N 366.461 4.284 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1C 27580512 DMWVJFAHDMLFSK-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB Cc1cc(NC(=O)CCc2ccc(Cl)cc2)n(Cc2ccccc2)n1 28306403 QYHVDHXTMPJJCF-UHFFFAOYSA-N 353.853 4.465 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c12 29516434 FXSIUUJACDIWKI-GJZGRUSLSA-N 362.477 4.062 0 40 FIAB Fc1ccc([C@@H]2CN(c3ncc(C(F)(F)F)cc3Cl)CCO2)cc1 29528000 FZOKZWWWCKPFED-AWEZNQCLSA-N 360.738 4.471 0 40 FIAB CSc1ccc(Cc2nnc(NC(=O)c3cc4ccccc4o3)o2)cc1 35588355 NMVMACGGZHCTEP-UHFFFAOYSA-N 365.414 4.381 0 40 FIAB COc1cc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)ccc1O 36352676 FIFWNFCZHMKUAS-CQSZACIVSA-N 369.808 4.364 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1OC 36360584 MAMHRYALNCNDHQ-OAHLLOKOSA-N 367.380 4.152 0 40 FIAB Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc(F)c1 38486788 GHZJTRDCLCYNBI-UHFFFAOYSA-N 371.828 4.433 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38609588 KRBMZSYRIJAAMS-HPTKSSEUSA-N 374.521 4.201 0 40 FIAB Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 42214360 SBOFKYZCNCQBNO-UHFFFAOYSA-N 369.446 4.095 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 44848760 HSJXQDNAEGLBLP-IBGZPJMESA-N 355.434 4.195 0 40 FIAB COc1ccc(NC(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1 51355948 ZYNAUQNEMOGPCE-UHFFFAOYSA-N 350.802 4.318 0 40 FIAB CCN(C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 58175442 NTBOAZIPCUNPTF-UHFFFAOYSA-N 366.889 4.018 0 40 FIAB Cc1ccc(-c2ncc(C(=O)NCc3cccc(N(C)C)c3)s2)c(C)c1 60277057 FPGBGRPJDUXFIK-UHFFFAOYSA-N 365.502 4.423 0 40 FIAB CC(C)[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCCC1=O 60291191 LTAQMWGEXDXLNA-CQSZACIVSA-N 363.672 4.232 0 40 FIAB CC(=O)c1cc(C(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)n(C)c1 64317632 VNGXASPQRCRYDR-UHFFFAOYSA-N 353.249 4.200 0 40 FIAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3F)n2)cc1 67898693 RFIDVXJBXMMYKU-FQEVSTJZSA-N 351.425 4.098 0 40 FIAB biogenic,in-vitro CCOc1ccccc1NC(=O)NC[C@@H](O)c1cccc2ccccc12 70636304 FBERIJNGCFUPRJ-LJQANCHMSA-N 350.418 4.094 0 40 FIAB c1ccc(-c2nc(CSc3ccc(-n4ccnc4)nn3)cs2)cc1 70688653 GJAGPCPAENXANX-UHFFFAOYSA-N 351.460 4.078 0 40 FIAB O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2ccc(F)cc2)[nH]n1 72328222 PHVWVTNEGVISAZ-UHFFFAOYSA-N 363.314 4.165 0 40 FIAB CCc1nnc(Nc2cccc([C@H]3CCCN(CC(C)(C)C)C3)n2)s1 72375970 KIZFQBRCJIJIHK-AWEZNQCLSA-N 359.543 4.465 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 75359577 SHGRHVHFMUGWPL-CYBMUJFWSA-N 355.825 4.200 0 40 FIAB C[C@H](Oc1cccnc1NS(=O)(=O)c1ccccc1)c1ccccc1 84660466 LHFGBKFQLPUEFT-HNNXBMFYSA-N 354.431 4.022 0 40 FIAB Cc1cc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c(C)o1 85556432 KYHDNRGLNSYLRD-UHFFFAOYSA-N 364.449 4.200 0 40 FIAB Cc1cc(C)cc(OCCc2nnc(NC(=O)c3ccccc3)s2)c1 95116443 OKMIPOWTMWFFTR-UHFFFAOYSA-N 353.447 4.029 0 40 FIAB CO[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)s1 96104735 QJJOZTYQAPPNCB-AWEZNQCLSA-N 374.289 4.246 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)NCc2cnc(C)s2)cc1 98118914 KZVXLBGCBPNFAD-GOSISDBHSA-N 359.495 4.287 0 40 FIAB CCOc1ccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 101015987 FQPYYOSMHAONGW-INIZCTEOSA-N 360.251 4.151 0 40 FIAB Cc1nc2[nH]n(-c3ccccc3)c(=O)c2c2c1C[C@@H](c1ccccc1)CC2 170622725 UESMUQNXQANOQH-KRWDZBQOSA-N 355.441 4.295 0 40 FIAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cn3ccccc3n2)o1 173621175 JWWISFHBAOWWIU-CRAIPNDOSA-N 351.450 4.032 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccccc1 210806029 NOWZHUBDIMWERJ-XNTDXEJSSA-N 372.833 4.015 0 40 FIAB S=C(NCc1ccccc1Cl)Nc1ccc(N2CCCCC2)nc1 223934754 VQEJIZUGMFFQNS-UHFFFAOYSA-N 360.914 4.212 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(C)c(C)c3)n2)c1 224077204 GNIUBSJSLMWHCG-UHFFFAOYSA-N 363.461 4.253 0 40 FIAB CC(C)Sc1nnc(NC(=O)CSCc2ccccc2F)s1 224927722 KRAIIBCXAUOAQF-UHFFFAOYSA-N 357.501 4.050 0 40 FIAB O=C(O)[C@@H](Cc1cccc(Br)c1)Oc1cccc(Cl)c1 225063004 WWKOVHFUBVBNTR-CQSZACIVSA-N 355.615 4.177 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225066909 UQOXYTANEWZNIT-INIZCTEOSA-N 370.474 4.013 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(C)cc2C)c1C 225476466 YEESYYYFQSWACW-OAHLLOKOSA-N 356.491 4.446 0 40 FIAB CC(C)NC[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 226069639 XBTGYBNJJAPLRR-LJQANCHMSA-N 365.558 4.155 0 40 FIAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4F)OCC[C@@]31C2 257303032 SFMZZAXQSNQNLI-MIQYICBFSA-N 359.485 4.480 0 40 FIAB Cc1ccc(-c2ocnc2-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1 563342003 GFTLUJKEOKZLPK-UHFFFAOYSA-N 360.417 4.429 0 40 FIAB CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)N1CCC(n2ccnn2)CC1 585082016 PUBHOUJRIVQCHD-NCYVPVAZSA-N 358.530 4.074 0 40 FIAB CN(C)c1ccc(-c2cncc(C(=O)Nc3cnc4c(c3)CCCC4)c2)cc1 1522381343 IDSKEFWEWDFLEY-UHFFFAOYSA-N 372.472 4.341 0 40 FIAB Cc1cc(N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)nc(C)n1 1888890863 LCWTZUQECZOPJJ-UHFFFAOYSA-N 353.857 4.074 0 40 FIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1F 710090 DPTUASXDDUBMLD-KRWDZBQOSA-N 361.214 4.286 0 40 FIAB COC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1cccc(OC)c1 1322888 SEPPYJRJOIKRMF-GOSISDBHSA-N 361.397 4.011 0 40 FIAB CCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(OC)cc2)s1 1356513 IAGKQVWCWQZQDC-UHFFFAOYSA-N 371.437 4.410 0 40 FIAB NCCCCCC(=O)Oc1ccc2c(=O)c(-c3ccc(F)cc3)coc2c1 2103614 QIVCLCXDGOYOTA-UHFFFAOYSA-N 369.392 4.024 0 40 FIAB biogenic O=c1c2ccccc2nc(SCc2ccccc2)n1OCc1ccccc1 2259376 XRDLDVWMTOPSSP-UHFFFAOYSA-N 374.465 4.318 0 40 FIAB O=C(Cc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 2628282 YSZVBDDDSLFLLA-MRXNPFEDSA-N 352.459 4.051 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1ccn(COc2ccccc2F)n1 2786649 XHCNGIRUZWZWGQ-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB COc1ccc(/C=C2\N=C(S)N(c3ccc(Cl)c(OC)c3)C2=O)cc1 3258268 PEMLSHWUBTXYQQ-DHDCSXOGSA-N 374.849 4.031 0 40 FIAB Cc1ccccc1-n1c(SC[C@H]2CCCCO2)nnc1-c1ccncc1 3314684 QZQLKDNPDPJFIV-QGZVFWFLSA-N 366.490 4.299 0 40 FIAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)/C=C/c1cccs1 3334486 PISKREKIVIEALT-VAWYXSNFSA-N 350.443 4.012 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)c1C 4736125 XRZOTWOZZKLHEN-UHFFFAOYSA-N 370.478 4.467 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 4846828 XPZSGEUCCDXKID-HZPDHXFCSA-N 369.436 4.225 0 40 FIAB COc1ccc(-c2nnc(SCCOc3ccc(C)cc3)o2)cc1OC 5019153 RNOVMEGVKJMVSB-UHFFFAOYSA-N 372.446 4.233 0 40 FIAB CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc(C)c1C 5092031 ONFTWIJGJUKBDA-UHFFFAOYSA-N 364.492 4.359 0 40 FIAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccccc3)cn12)c1ccccc1 5146724 LMSDCQJUAANDLQ-OAHLLOKOSA-N 361.470 4.483 0 40 FIAB COc1ccccc1[C@H](CCN[C@@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccco1 5478520 IRQFLDPUVMQMKX-IZBJGVDFSA-N 356.510 4.129 0 40 FIAB COc1cc(O)cc2c1[C@@H]1Oc3c(ccc(O)c3CC=C(C)C)[C@@H]1CO2 5854607 YKTZRMXYANFKQR-YCRPNKLZSA-N 354.402 4.225 0 40 FIAB endogenous,in-man Cn1ccnc1Sc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 6653044 CCBITEZLLHTTRU-UHFFFAOYSA-N 365.487 4.127 0 40 FIAB O=C(/C=C/c1nc2ccccc2s1)OCc1nnc(-c2cccs2)o1 6931529 XKJJZOVUXHWJCW-BQYQJAHWSA-N 369.427 4.164 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)o1 7086608 OSPXEMNXZYIVNF-INIZCTEOSA-N 369.446 4.094 0 40 FIAB C[C@@H](NC(=O)CSc1nc2ccccc2[nH]1)c1cc2ccccc2o1 7221752 BFFUZXKYCAMILX-GFCCVEGCSA-N 351.431 4.279 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(C)c3C)CC2=O)cc1Cl 7928629 AKTPHKIKBZXCRN-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=S)Nc2ccc(Cl)cc2)c1 8149990 OEGSHLOZIRMISP-NSHDSACASA-N 350.871 4.405 0 40 FIAB COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 8327706 GSJQMBMFQMOUHJ-UHFFFAOYSA-N 353.418 4.009 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2Cl)cc1 8533698 JKEPZZYHNYQUCI-GFCCVEGCSA-N 367.276 4.461 0 40 FIAB CCN(CC)CCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CCC3 8645063 AVZNCDDWGQJMIF-UHFFFAOYSA-N 367.497 4.137 0 40 FIAB CC(C)c1cc(=O)n2c3ccccc3nc2n1Cc1ccc(Cl)cc1 9262061 CHMKSZRMBZUGOU-UHFFFAOYSA-N 351.837 4.474 0 40 FIAB O=S(=O)(Cc1ccccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 9503412 JHBPLPVPHLFBLV-SFHVURJKSA-N 361.463 4.096 0 40 FIAB O=C(COc1cccc2ccccc12)NCc1ccc(CN2CCCC2)cc1 9991490 HECLEYTUUJADIF-UHFFFAOYSA-N 374.484 4.131 0 40 FIAB CCOc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1 10448536 UBYAYJXVLDDKRB-UHFFFAOYSA-N 367.873 4.427 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3ccc4c(c3)OCO4)n2)c(C)s1 10520754 MOMIJDPCJPKQCX-UHFFFAOYSA-N 358.444 4.469 0 40 FIAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(Br)o1 10995051 XELQQRJTCZDAQO-UHFFFAOYSA-N 360.207 4.004 0 40 FIAB O=C(NCc1ccncc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12522588 XGJYGFNBQMRDIA-UHFFFAOYSA-N 373.387 4.473 0 40 FIAB O=C(Nc1cccc(F)c1)c1cccc(OCc2cn3ccccc3n2)c1 12559353 KFSNDVXCQDMZHX-UHFFFAOYSA-N 361.376 4.305 0 40 FIAB COc1ccccc1CNc1ccccc1C(=O)OCC(=O)C(C)(C)C 12605892 UJPXCLZUUUOGBJ-UHFFFAOYSA-N 355.434 4.079 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc(Br)o2)cc1 12945642 VLNIKTOAFJRPPN-UHFFFAOYSA-N 365.227 4.279 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 13685788 LWBNSWRTHITOOZ-INIZCTEOSA-N 368.477 4.238 0 40 FIAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CC=CCC1 15318271 RCXCMQYXPUEVEI-AWEZNQCLSA-N 359.857 4.483 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 15840201 VTFFRICIGQTEFU-UHFFFAOYSA-N 371.487 4.320 0 40 FIAB O=C(c1ccccc1Br)N1CCc2cc3ccccc3nc21 15841749 LUIIYYTTXLTPGM-UHFFFAOYSA-N 353.219 4.200 0 40 FIAB CCCC(=O)Nc1c(Br)cc(Cl)c(N)c1Br 16636986 QRRITQUEXKQLLZ-UHFFFAOYSA-N 370.472 4.186 0 40 FIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(SC)cc1 16751708 WJWRSORPYAALGJ-GOSISDBHSA-N 365.454 4.470 0 40 FIAB COc1cc(CN(C)C(=O)Nc2cccc(C)c2)ccc1OC(F)F 18173671 CYBLGWNFBMENKY-UHFFFAOYSA-N 350.365 4.269 0 40 FIAB CC(C)[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cccs1 19445933 KAGRAZBIACGNEM-KRWDZBQOSA-N 373.526 4.482 0 40 FIAB CC(C)c1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1cccnc1S2 19802361 QPQJZKXMKKTUNP-IBGZPJMESA-N 353.535 4.201 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 20458784 HJTCFKWOOZRNEG-NRFANRHFSA-N 351.471 4.371 0 40 FIAB CC[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)cc1 20492273 ZPSDXQWKDHNTSZ-IBGZPJMESA-N 374.440 4.076 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(CN2CCCC2)CC1 20532087 UYJJFKSEVMTBIW-UHFFFAOYSA-N 355.404 4.045 0 40 FIAB CCOc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 20567924 JQSLOYDFRJSBKW-UHFFFAOYSA-N 374.289 4.358 0 40 FIAB Cc1ccc(-c2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)no2)cc1 21800543 WPBVQTYAIDMYQY-UHFFFAOYSA-N 371.824 4.333 0 40 FIAB CCOc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)sc2c1 22890481 NYWXWUDBBSNQON-INIZCTEOSA-N 374.506 4.397 0 40 FIAB C[C@H](Oc1ccccc1Br)C(=O)Nc1cc(C(C)(C)C)on1 28227527 XHGAECDSYWIBIV-JTQLQIEISA-N 367.243 4.141 0 40 FIAB Cc1ccc(-c2noc(CS[C@H](C)C(=O)Nc3ccccc3F)n2)cc1 28909095 XEKAARCVMMCBEP-CYBMUJFWSA-N 371.437 4.445 0 40 FIAB CCOc1cccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 30751975 PAMYCUWQWCJNQX-SFHVURJKSA-N 366.505 4.247 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)C2(c3ccccc3)CCCC2)c1 32415295 IVWYKRATDKMLPI-INIZCTEOSA-N 353.462 4.393 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)CCSc1ccc(C)c(C)c1)OCO2 32675383 MZIXUBYPFOIJNS-UHFFFAOYSA-N 371.458 4.356 0 40 FIAB C[C@H](N[C@H](C)c1ccc(Cl)cc1)c1nc(N)nc(Nc2ccccc2)n1 32855732 NKRKZNXXLKLFMF-OLZOCXBDSA-N 368.872 4.263 0 40 FIAB C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1Br 32914034 FRTLYENIHDBBNA-KGLIPLIRSA-N 362.267 4.232 0 40 FIAB CCCC[C@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 33657846 YGVYDWADHKYSHH-GOMYTPFNSA-N 358.522 4.443 0 40 FIAB biogenic Oc1nc(CN2CCC(CCc3ccccc3)CC2)nc2ccsc12 35292660 YDNRLGCFLYWFPO-UHFFFAOYSA-N 353.491 4.242 0 40 FIAB COCCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2Cl)cc1 40096560 CJHYEACSAOVYHT-UHFFFAOYSA-N 369.248 4.340 0 40 FIAB CC(C)c1nccn1S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 41095493 BBMZJSLKNRXHCM-UHFFFAOYSA-N 353.658 4.204 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 44846341 BVTBWNXLBMZLTJ-RDJZCZTQSA-N 357.450 4.047 0 40 FIAB CC[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(C)cc1C 44856716 YJDLBQLCRSAIAL-JOCHJYFZSA-N 366.505 4.017 0 40 FIAB COc1cc(NC(=O)OCC(F)(F)F)ccc1NC(=O)OC(C)(C)C 48311822 QZHLSBSVQVPUHX-UHFFFAOYSA-N 364.320 4.153 0 40 FIAB Cc1cccc(N2CCN(C(=O)CCSc3ccccc3)CC2)c1C 49939061 NLWYDBDPYMXAQD-UHFFFAOYSA-N 354.519 4.134 0 40 FIAB COc1cccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(OC)ccc23)c1 57403177 HTQHVMDWRLKFHK-FQEVSTJZSA-N 365.429 4.147 0 40 FIAB CC(C)CC(=O)N1CCC(NC(=O)c2sccc2-c2ccccc2)CC1 58191283 SWCQXCPWOSGZGC-UHFFFAOYSA-N 370.518 4.182 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1c1cccc2c1OCCO2 67033879 XIKXEKNHYILGDR-INIZCTEOSA-N 358.825 4.480 0 40 FIAB CN(CC(F)F)C1CCN(CCOc2cccc(C(C)(C)C)c2)CC1 72308772 BSVJHBCCDCNSMC-UHFFFAOYSA-N 354.485 4.024 0 40 FIAB O=C(c1cnc(Oc2ccccc2)cn1)N1CCC[C@@H]1Cc1ccccc1 90997735 JUCHNERIVDONKG-GOSISDBHSA-N 359.429 4.116 0 40 FIAB O=C(Nc1nc(-c2ccccc2)ns1)C1(c2cccc(F)c2)CCC1 95364818 JRPVJGVNXCLXFG-UHFFFAOYSA-N 353.422 4.405 0 40 FIAB CCC(=O)N1CCC(Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)CC1 95940890 DKZYFMIKACSLDD-IBGZPJMESA-N 361.505 4.263 0 40 FIAB O=C(CCc1ccc(F)cc1)N1CC2(CCNCC2)c2cc(Cl)ccc21 96156936 FJEPKYAIAPPKIA-UHFFFAOYSA-N 372.871 4.080 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1 102301478 VWUBZPQHZSLVEW-BGYRXZFFSA-N 374.440 4.011 0 40 FIAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCS[C@H](c2ccco2)CC1 207005756 JFPALURPJKPHOW-IBGZPJMESA-N 367.474 4.001 0 40 FIAB O=C(Nc1cc(-c2cc3ccccc3oc2=O)ccc1F)C(F)(F)F 216938248 KLIYHSMYTADRNZ-UHFFFAOYSA-N 351.255 4.100 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 223005372 LMHOHIDMDHCOJK-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c(C)c1 223271227 SVJGGYSVDBZDNN-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB O=C(CCCOc1ccc(Cl)cc1)NCCOc1ccc(Cl)cc1 224144595 CBASKIIXTKFHMT-UHFFFAOYSA-N 368.260 4.348 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccccc2)s1 224835748 RHHWVGJJYNLMDX-HNNXBMFYSA-N 353.447 4.310 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C 224855712 HUDKUXJRKNOJTO-UHFFFAOYSA-N 366.461 4.272 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225168803 NLLTZZQOKKKQNZ-UHFFFAOYSA-N 356.447 4.295 0 40 FIAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1C(=O)OC 225792704 PCJHETXXDGSVFG-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1F 253473158 RUVJUJBOQAOJOC-UHFFFAOYSA-N 361.376 4.401 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(C)c2OC)sc2c1CCCC2 408629204 PSAPSLJUWJOJPM-UHFFFAOYSA-N 373.474 4.373 0 40 FIAB CCCCC1=NN(C(=O)c2ccc(C)c(Cl)c2)[C@](O)(C(F)(F)F)C1 409096569 LKVBUNCMKKSBKY-OAHLLOKOSA-N 362.779 4.291 0 40 FIAB CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)c2ccccc21 409114948 FNSJPPXKMHOASE-JYRVWZFOSA-N 374.234 4.070 0 40 FIAB O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1cccc(Cl)c1 409225181 JQFNAQDMUAYDBT-UHFFFAOYSA-N 374.893 4.129 0 40 FIAB Cn1cc(-c2nc(CN[C@H]3CCCc4sc(Cl)cc43)cs2)cn1 527710431 OUQJDZKIWROYOE-ZDUSSCGKSA-N 364.927 4.426 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(OC)c1)c1nc2ccccc2[nH]1 575443467 KEYCQIBGGXAOAW-FZKQIMNGSA-N 352.438 4.480 0 40 FIAB COc1ccnc(CNC(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c1F 660503475 AWPXEEAOCCNDAP-SECBINFHSA-N 372.227 4.097 0 40 FIAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 1319181452 HERKQUCKWZLRSN-INIZCTEOSA-N 367.497 4.037 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1 678438 IZUMSURANMCBGG-UHFFFAOYSA-N 355.777 4.343 0 40 FIAB CC1(C)C[C@@]2(C[C@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=O)N1 885500 USVAGCPQMZRPOS-QRWLVFNGSA-N 372.852 4.138 0 40 FIAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)c2ccc(F)cc2F)CC1 1380414 GOIBRRCSPJDWFA-UHFFFAOYSA-N 373.378 4.239 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 2295089 YGDOCPYWPSUIRU-YVEFUNNKSA-N 356.491 4.459 0 40 FIAB CCc1ccc2c(c1)[C@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 2451667 SZGOYKKFUAMJDO-HSZRJFAPSA-N 366.424 4.344 0 40 FIAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc3c4c(cccc24)CC3)N1 3024737 JTOZFSYHVYFHID-IRLDBZIGSA-N 368.436 4.108 0 40 FIAB CSc1nc2ccc(NC(=O)c3coc4ccccc4c3=O)cc2s1 4194640 JYGBLSVYXZTFMI-UHFFFAOYSA-N 368.439 4.377 0 40 FIAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 4477260 FOSWKNITAAGBDJ-SFHVURJKSA-N 363.244 4.351 0 40 FIAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 4742004 CQOPTNDOAGGXEC-QGZVFWFLSA-N 353.809 4.152 0 40 FIAB CCCOc1c(Cl)cc([C@H]2NC(=O)c3ccccc3O2)cc1OCC 4997892 CAYJDYFWEVRIMU-IBGZPJMESA-N 361.825 4.349 0 40 FIAB CCc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 5531665 DWOZJYSJTMXITA-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB O=C(NC[C@H]1COc2ccccc2O1)c1cccc(Oc2ccccc2)c1 5631394 RMDLKMXEQSDLJX-IBGZPJMESA-N 361.397 4.049 0 40 FIAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1ccc2c(c1)OCO2 5678040 YLOKSCSZUHEQSE-ZZXKWVIFSA-N 350.201 4.052 0 40 FIAB COc1ccc(-c2nc(C)nc(C(F)(F)F)c2-c2cscn2)c(O)c1 6239003 RPHLAGPZLFFJPU-UHFFFAOYSA-N 367.352 4.309 0 40 FIAB CCOc1c(Br)cc(C(=O)Nc2ccccc2C)cc1OC 6339243 HUUADQGZOOJGOZ-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB COc1ccc(-n2c(S)nnc2CSCc2ccccc2)c(OC)c1 6388968 NZDLGKKJUKGZNP-UHFFFAOYSA-N 373.503 4.007 0 40 FIAB COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(C)c2)sc2c1CCCC2 6450783 SJMHSOJPBWJJOC-ZDUSSCGKSA-N 373.474 4.128 0 40 FIAB Fc1ccc(CNc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 6805415 ASAWSXCYUJESIZ-UHFFFAOYSA-N 370.391 4.091 0 40 FIAB CCCCOC(=O)c1ccc(N[C@H]2Sc3ccccc3NC2=O)cc1 6831237 SYMFUMJEOYPZOW-SFHVURJKSA-N 356.447 4.126 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3ccccc3C)C2=O)c1 6967284 KLTSOYUBTFSKFH-XSFVSMFZSA-N 371.440 4.187 0 40 FIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSCc1ccc(Cl)cc1 7127038 ASXCQDPUEYXCAP-CYBMUJFWSA-N 374.893 4.337 0 40 FIAB Clc1ccc(-c2noc(CSc3nnc4n3CCCCC4)n2)cc1 7426227 GUTPBQGABGOXDT-UHFFFAOYSA-N 361.858 4.000 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 7471293 PQMIENIWEQJNTF-MRXNPFEDSA-N 364.445 4.209 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccccc1Cl 7535501 UMYAQLVYWGRZCR-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB CCCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC 7886170 PCWPVULPZWTTMT-HXUWFJFHSA-N 352.434 4.213 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(-c3ccc(F)cc3)o1)OCO2 7990108 PGUPQCJLTLKPNL-UHFFFAOYSA-N 367.332 4.269 0 40 FIAB c1ccc(-c2cc(CSc3nnc(NC[C@@H]4CCCO4)s3)no2)cc1 8157182 DZNOIABFXVJIJU-AWEZNQCLSA-N 374.491 4.076 0 40 FIAB Cc1cc(Br)ccc1NC(=O)c1cncc(Br)c1 8285955 UTCUQQNRJTYNIJ-UHFFFAOYSA-N 370.044 4.167 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CCCOc2ccc(C)cc2)c1 8355263 WMGUJZZGHDENSZ-INIZCTEOSA-N 357.450 4.049 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 8434225 ZQTWYAABKDTMNM-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB CCCc1cc(N2C[C@H](C)C[C@@H](C)C2)n2nc3nc(C)cc(C)c3c2n1 8844004 XZGSBAUJSNZNEN-ZIAGYGMSSA-N 351.498 4.329 0 40 FIAB Cc1cc(N)nc(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)n1 9338900 MMWMRWQHWUDXAE-UHFFFAOYSA-N 355.467 4.007 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)c(F)c1 10966279 UXPRKMGLFRIRRV-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2[C@@H]2CCCO2)on1 12142276 ZYBHNAOTEDJZMG-INIZCTEOSA-N 354.385 4.043 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)NCCc1c[nH]c2ccc(F)cc12 12898230 CTDFCOGXOZSYEX-UHFFFAOYSA-N 363.436 4.470 0 40 FIAB biogenic O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 12976315 LJLLZWZLAKJPDM-GVDBMIGSSA-N 361.363 4.449 0 40 FIAB COc1cc2c(cc1O)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2 13449412 DJRBBQJREIMIEU-IBGZPJMESA-N 365.473 4.058 0 40 FIAB endogenous,world O=C(CCn1ccc2ccc(F)cc21)NCCc1c[nH]c2ccc(F)cc12 13691965 HJPZRGUMBUPIHU-UHFFFAOYSA-N 367.399 4.150 0 40 FIAB COC(=O)c1cccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)c1 15867411 WIGVWIQFMZOVRN-UHFFFAOYSA-N 367.376 4.444 0 40 FIAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1 15882986 JSJCKLIMFGHRBO-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB O=C(NCc1ccccn1)c1cc(-c2ccc(F)cc2)nc2ccccc12 17167754 YFJSEONOPQPYMG-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1ccccc1Cl 17191523 GZMSUXHABUWDCD-UHFFFAOYSA-N 369.877 4.239 0 40 FIAB CC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)C2CCCC2)cc1 19018099 YVPKRGMFLYDDBJ-FQEVSTJZSA-N 368.502 4.371 0 40 FIAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1c(C)noc1C 20294764 XBJDOQQLGQMRTE-UHFFFAOYSA-N 374.393 4.198 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2)c(Cl)c1 20460638 UHRNNHBWLVAJQB-UHFFFAOYSA-N 361.825 4.314 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccccc1F 20488425 ZKSOUYAHKIEUTL-GOSISDBHSA-N 361.482 4.341 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc1 21800382 SYEJXNOQTRLDLV-UHFFFAOYSA-N 351.406 4.052 0 40 FIAB CCc1nc2ccc(NC(=O)Cc3cc(OC)ccc3OC)cc2s1 22254978 JSALHJGFQWOVGX-UHFFFAOYSA-N 356.447 4.057 0 40 FIAB CN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 22508236 WKEFLGRFOMMLJL-UHFFFAOYSA-N 373.840 4.365 0 40 FIAB COc1ccc(CC(=O)NCCSCc2c(F)cccc2Cl)cc1 22532726 VCJWGPMLTJJUNR-UHFFFAOYSA-N 367.873 4.080 0 40 FIAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1cccnc1 24837989 CFNGBKLQSSXKHR-UHFFFAOYSA-N 371.484 4.274 0 40 FIAB COC(=O)C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1cccs1 24840458 UVXMDWHJTXANBI-ZDUSSCGKSA-N 372.273 4.018 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)c2cc(SC)ccc2Cl)cc1 30210039 LHYFJUSMAAODBM-UHFFFAOYSA-N 363.866 4.121 0 40 FIAB O=C(C1CCCCC1)N1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 35442875 BGYAHXZUXJBXMU-ZDUSSCGKSA-N 365.399 4.478 0 40 FIAB biogenic,in-vitro O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 36635811 BKQUNHSWADFBHE-CQSZACIVSA-N 369.635 4.391 0 40 FIAB O=C(Nc1ccccc1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 40156772 FUHHJNBXUNCFNR-HXUWFJFHSA-N 372.428 4.374 0 40 FIAB Nc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Br 40296598 MMJWYAVIYIZHEP-UHFFFAOYSA-N 359.145 4.302 0 40 FIAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 44845638 BBLAHOZQMCMQLD-LLVKDONJSA-N 374.289 4.183 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1 46374853 MICIHWMBNJXPCI-QGZVFWFLSA-N 354.519 4.079 0 40 FIAB CC(C)n1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccco1 48513908 IMRWTZZSXXGBBI-UHFFFAOYSA-N 362.499 4.002 0 40 FIAB Cc1nnc(NC(=O)c2ccc(OCc3nc(C4CC4)cs3)cc2)s1 56907801 ZVWAFJHCBBLKHW-UHFFFAOYSA-N 372.475 4.012 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)N1CCCC1=O 58231467 AXQLJTXPLIKLSO-FQEVSTJZSA-N 351.450 4.016 0 40 FIAB CCOC(=O)N1CCC(Nc2nc(-c3ccc4c(c3)CCC4)cs2)CC1 58356422 MMTBHTBPBCWTAP-UHFFFAOYSA-N 371.506 4.332 0 40 FIAB CC(C)(C)n1nc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1C1CC1 58415684 HHPKPWUVVFBGJR-UHFFFAOYSA-N 363.364 4.089 0 40 FIAB COc1cccc(-c2c(-c3ccccc3)ncn2C2CCNCC2)c1F 65405596 YQGNDOCVVXPZOX-UHFFFAOYSA-N 351.425 4.289 0 40 FIAB CO[C@H](CNC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C)c1ccccc1 84718139 TXYXTWGHOZQXMX-MGPUTAFESA-N 363.461 4.184 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)N2CC=C(c3ccnc4[nH]ccc34)CC2)c1 95462499 COWWKIVQDBWYLF-QGZVFWFLSA-N 374.488 4.296 0 40 FIAB CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cccc(-c3ncc[nH]3)c2)c1 95464770 LRCLOVPOGDVABC-INIZCTEOSA-N 363.461 4.284 0 40 FIAB C[C@H]1CC(=O)CC[C@@H]1c1nc(-c2ccc(OCc3cccnc3)cc2)no1 95943504 RMHVKRNROVIXOB-LIRRHRJNSA-N 363.417 4.183 0 40 FIAB CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCO1 95994314 CRAISVQOLBJBRX-GOSISDBHSA-N 360.454 4.007 0 40 FIAB C[C@@H]1CCCCN1C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1C 96266360 PSLSLTWSGPELLF-MRXNPFEDSA-N 360.461 4.164 0 40 FIAB Brc1ccc([C@H]2C=C(c3cccs3)Nc3nncn32)cc1 100814710 UCOHTFASGZGQDX-CYBMUJFWSA-N 359.252 4.158 0 40 FIAB CCN(C(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cccc2ccccc12 100868507 VRTSUUDOEBKXND-VXKWHMMOSA-N 351.446 4.315 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)CSCc3ccc(F)cc3)sc2C1 106887448 WOHWTKITHUUGAP-LLVKDONJSA-N 350.484 4.279 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1 218932483 AMADOETVOFUAHO-UHFFFAOYSA-N 369.461 4.487 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218973300 UWENVTFBWPLSFS-VQIMIIECSA-N 353.462 4.489 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 222864695 ILQUZEDYJPOXCI-MOPGFXCFSA-N 354.523 4.217 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 222982935 AOQVJHRZGPPDEG-NSHDSACASA-N 359.297 4.035 0 40 FIAB C[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)CCC2 223201389 DQUCPUYRCSDOFL-GFCCVEGCSA-N 367.873 4.148 0 40 FIAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1Cl 223829992 FYQSVPXTAGUTKC-UHFFFAOYSA-N 367.854 4.051 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 224017572 XGEFCMHCUCXOFU-GOSISDBHSA-N 363.457 4.419 0 40 FIAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2cc(Cl)ccc21 225826432 VQPLDXBTDNVDLO-UHFFFAOYSA-N 359.828 4.479 0 40 FIAB COc1cccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)c1 226097008 ZYZCBUSKHYGNOK-UHFFFAOYSA-N 351.406 4.045 0 40 FIAB Cc1cnc([C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)s1 371022130 IUSQJUFBBRETSW-MRXNPFEDSA-N 353.491 4.272 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1cc2ccccc2[nH]1 1775966503 IBQWALIZGBGSQW-FQEVSTJZSA-N 362.454 4.360 0 40 FIAB O=C(NCCC1=CCCCC1)C(=O)NCc1cc(-c2ccsc2)cs1 1775969714 HYLUNZFZGPWXDJ-UHFFFAOYSA-N 374.531 4.100 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 813319 HLVCSTXSSMNJNX-UHFFFAOYSA-N 371.396 4.269 0 40 FIAB O=C(NC1CCCC1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 819258 GJEDBCUCIFJQKE-UHFFFAOYSA-N 355.309 4.264 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(F)cc3)n2)c1 880975 OSHMKMYQYWGHJY-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)cc1 937577 GFGPQIUIOLNPDD-GOSISDBHSA-N 366.442 4.151 0 40 FIAB COc1ccc(C(=O)CSc2nnc3cc(C)c4ccccc4n23)cc1 977044 BMUOBQXRIBEVGK-UHFFFAOYSA-N 363.442 4.175 0 40 FIAB CCSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2C)s1 2080096 FMJAHIWNSSBRFP-UHFFFAOYSA-N 371.915 4.410 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(OC)c1 2278000 AXHYVPAVARRPAV-NRFANRHFSA-N 360.413 4.475 0 40 FIAB Cc1ccc2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2c1 2628858 BFMKAVOLXUTUJX-MRXNPFEDSA-N 368.458 4.415 0 40 FIAB CSc1ccc(CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 3334810 IFXZWAIESJZOFR-UHFFFAOYSA-N 368.424 4.498 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nccs3)cccc2c1=O 3452975 SEXVOVIMGTWUOZ-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCc1cccc(Cl)c1 4406649 WPNRXSLESGJPRN-UHFFFAOYSA-N 366.273 4.278 0 40 FIAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)c1ccc(Cl)cc1 4890511 SSEPSDOHOWYSEN-LLVKDONJSA-N 361.829 4.423 0 40 FIAB O=C(c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5156118 OLECALLWPJYOSZ-RZUBCFFCSA-N 353.437 4.334 0 40 FIAB CCN(CC)CCNc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 5347921 PPAHIJIYPRABFJ-UHFFFAOYSA-N 366.421 4.497 0 40 FIAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1N1CCCCC1=O 5441331 XYSDSWHOXOIIDU-UHFFFAOYSA-N 356.853 4.347 0 40 FIAB CSC1=NC(C)=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(F)cc2)N1 5520775 GHPHHLHRCPCWJQ-GOSISDBHSA-N 369.465 4.410 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1 6084350 NJFNJSYKBOTICP-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3cccs3)c2c1C 6113096 BLDQCLAYBKJGGL-JTQLQIEISA-N 363.533 4.339 0 40 FIAB COc1ccc(NC(=O)CN(C)Cc2ccc(-c3ccccc3)cc2)cc1 6552020 VEFBVLXVLLBLBD-UHFFFAOYSA-N 360.457 4.433 0 40 FIAB O=C(Nc1nccs1)c1cn(Cc2ccccc2)nc1-c1cccs1 7038843 IWDPQRCPRIRRAL-UHFFFAOYSA-N 366.471 4.369 0 40 FIAB Cc1nnc(S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)O)o1 7365708 WQHCXAJOYUNPST-ZROIWOOFSA-N 361.810 4.040 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 7495537 XFICMASKJJHHIC-FQEVSTJZSA-N 372.896 4.155 0 40 FIAB CC(=O)Nc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1 7844873 SIFJIHGYOIFMSU-UHFFFAOYSA-N 365.458 4.258 0 40 FIAB COc1ccc(CNC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1OC 8073634 DJHPYUPJTTXQEH-UHFFFAOYSA-N 371.477 4.087 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Br)o1 8132123 VHDJTJVIHIJBDF-UHFFFAOYSA-N 364.195 4.336 0 40 FIAB C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-n2ccnc2)cc1 8163535 UYPOFRUHAHYWEB-QGZVFWFLSA-N 356.429 4.154 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)c1cc(C2CC2)nn1-c1ccccc1 8313713 DNHTVOCXRHDVDS-UHFFFAOYSA-N 365.864 4.376 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3Cl)[nH]2)cc1 8770306 RATDVVTWKQTSLN-UHFFFAOYSA-N 373.865 4.470 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccccc3)s2)cc1 8793815 GAANOQKDXRWACN-UHFFFAOYSA-N 355.488 4.385 0 40 FIAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2F)c1 10226126 CFGIRBDUFGNKRL-SFHVURJKSA-N 362.832 4.263 0 40 FIAB Cc1nc2cc(N[C@H](C)C(=O)Nc3ccccc3OC(F)F)ccc2o1 12517270 RHMYRGWZJOUFML-SNVBAGLBSA-N 361.348 4.177 0 40 FIAB CN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 12539656 XJEPOMLYZOLXLY-CYBMUJFWSA-N 374.271 4.337 0 40 FIAB CCCCCC[C@H](C)NC(=O)N1CCN(c2ccccc2OCC)CC1 12545968 RUZABVUKJCHJCR-SFHVURJKSA-N 361.530 4.276 0 40 FIAB Cn1nc(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)c2cccnc21 12670262 MINNROXHZWVZBK-UHFFFAOYSA-N 358.848 4.140 0 40 FIAB O=C(CCC(=O)c1ccc(Br)cc1)N[C@@H]1CCc2ccccc21 12920327 IVTOVBLSCLCKAJ-QGZVFWFLSA-N 372.262 4.216 0 40 FIAB CCc1nc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cs1 12972654 VJKSIFNPQAAYGK-UHFFFAOYSA-N 353.472 4.192 0 40 FIAB C[C@H](NC(=O)CN1CC=C(c2ccccc2)CC1)c1cccc(Cl)c1 13055994 KQESGNYRROGQSE-INIZCTEOSA-N 354.881 4.307 0 40 FIAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1F 13612354 JIHMMSKIFUMZSR-UHFFFAOYSA-N 353.368 4.474 0 40 FIAB C[C@H]1C(=O)Nc2ccc(-c3csc(NC(=O)[C@@H]4CC=CCC4)n3)cc21 14077076 XVHOPZDLXDGZNC-VXGBXAGGSA-N 353.447 4.161 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1Br 14291450 VXZOCUVBOONDNB-UHFFFAOYSA-N 360.660 4.044 0 40 FIAB CCn1c(CNC(=O)Cc2ccc(Cl)cc2Cl)nc2ccccc21 16695509 IQKWGEPNFHSEII-UHFFFAOYSA-N 362.260 4.222 0 40 FIAB O=C(Nc1ccccc1)Nc1nnc(COc2ccccc2Cl)s1 17056169 IQSRPDUNKYPJIX-UHFFFAOYSA-N 360.826 4.415 0 40 FIAB c1cncc(-c2nnc([C@H]3CCCN3Cc3ccnc4ccccc34)o2)c1 19376091 SPLJPFJJQRGBBL-LJQANCHMSA-N 357.417 4.017 0 40 FIAB O=C(CSc1ccccc1)Nc1ccc2nn(-c3ccccc3)nc2c1 20609869 NNGUQOYHBXDHDI-UHFFFAOYSA-N 360.442 4.151 0 40 FIAB COc1ccc(-n2nc(C)c3c2C[C@@H](c2ccc(F)cc2)CC3=O)cc1 20633124 HGSHZYYCFCCTOE-OAHLLOKOSA-N 350.393 4.241 0 40 FIAB Cc1ccc(CNc2nc(Nc3ccc(F)cc3)c3cnn(C)c3n2)cc1 21873609 SFEQUOTZAJWPEA-UHFFFAOYSA-N 362.412 4.167 0 40 FIAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@H]1c1ccncc1 32760324 RMMYJFLKUZRWCQ-KRWDZBQOSA-N 370.250 4.303 0 40 FIAB Cc1ccc(S(=O)(=O)Cc2nc(-c3cc(C)n(C)c3C)cs2)cc1 32909481 JGGQNWNFOMVDAB-UHFFFAOYSA-N 360.504 4.048 0 40 FIAB CCCCOc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 32910136 MOXMGPLBWOSQLP-UHFFFAOYSA-N 367.445 4.002 0 40 FIAB COc1ccc(-n2nc(C)c3sc([C@@H]4CCC[C@@H](C(=O)O)C4)nc32)cc1 32918828 IXVBQRMTQVQOBH-CHWSQXEVSA-N 371.462 4.157 0 40 FIAB Cc1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1 33763698 RCIYGJRASUASOC-UHFFFAOYSA-N 365.498 4.496 0 40 FIAB COc1cccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 35288579 OAZFBDGMELALPH-IHWFROFDSA-N 365.477 4.012 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)Nc1cnn(Cc3cccc(F)c3)c1)n2C 35316898 WSDPMMWAQKTLFR-UHFFFAOYSA-N 362.408 4.123 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)[C@@H](c1ccccc1)N1CCCC1 35322738 LNQAQJXDHZKKNW-QGZVFWFLSA-N 370.522 4.361 0 40 FIAB CC(C)N(C)C1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 40158202 MNFJTUGLDDOYJT-UHFFFAOYSA-N 361.493 4.001 0 40 FIAB Cc1c(C)n(Cc2ccncc2)c2nc3c(c(N)c12)CCc1ccccc1-3 40267492 OUBRFUIMQXQIFD-UHFFFAOYSA-N 354.457 4.444 0 40 FIAB CCOC(=O)c1cccc(NC(=O)Nc2cccc(Br)c2)c1 51354342 USOOVOQLELAINT-UHFFFAOYSA-N 363.211 4.270 0 40 FIAB CN(C(=O)COC(=O)c1cccc(Oc2ccccc2)c1)C1CCCCC1 57556876 LYHIDACIMIJLAM-UHFFFAOYSA-N 367.445 4.427 0 40 FIAB CCN(CCC(F)(F)F)C(=O)NCC1(c2ccccc2C)CCOCC1 58168971 XUOJZCZQCGRYAP-UHFFFAOYSA-N 372.431 4.027 0 40 FIAB C[C@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Cl)s1 58407213 YMOHBHHKKNHZTL-MRVPVSSYSA-N 374.896 4.189 0 40 FIAB CC[S@@](=O)c1ccccc1C(=O)OCc1ccc(OC(F)(F)F)cc1 58634252 GNEDKBWJEAQNRR-VWLOTQADSA-N 372.364 4.070 0 40 FIAB C[C@@H](NC(=O)NCc1ccnc(N(C)C)c1)c1ccc(Cl)cc1Cl 58761377 UTRWVNPZARETTI-LLVKDONJSA-N 367.280 4.015 0 40 FIAB CCn1nc(C)c(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c1C 72243339 RSJXZIGXKIPLRO-UHFFFAOYSA-N 374.897 4.227 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1cc(Br)c[nH]1 72306798 YGXLJASUGYRVAB-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCCN2C(=O)C(C)C)n1 72383680 UQKXCOUVYIKGMD-CQSZACIVSA-N 359.499 4.003 0 40 FIAB Cc1cc(CC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)no1 74039557 ZAGARAUHFMOWJK-UHFFFAOYSA-N 363.442 4.365 0 40 FIAB Cc1noc(C2(NC(=O)Nc3ccccc3C(F)(F)F)CCCCC2)n1 75164122 YOWSQZVJSDFXFU-UHFFFAOYSA-N 368.359 4.378 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)[C@@H]3CC[C@H](SC)C3)cs2)cc1 78933987 SBLRPMORYFTBHL-HIFRSBDPSA-N 362.520 4.175 0 40 FIAB CCOc1ccc(-c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1OC 85384328 WWEAHNQAMRGZAO-UHFFFAOYSA-N 359.813 4.111 0 40 FIAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@@H]1CCc2ccccc2C1 95352955 NSKIPSYYMKTCCX-LJQANCHMSA-N 367.443 4.414 0 40 FIAB CO[C@@H](C)c1cccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 95402775 GTCXZNIJGBHSSQ-LAUBAEHRSA-N 352.478 4.387 0 40 FIAB O=C(C[C@H]1CCCN1c1nc(C(F)F)nc2ccccc12)c1ccco1 95467662 DEEADZUHPKBKIU-GFCCVEGCSA-N 357.360 4.402 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)c1 169890715 RGWXDSYRDVLWFG-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)cc1OC 216251364 HJRXXIVSJNXINL-KSSFIOAISA-N 371.502 4.378 0 40 FIAB CCOc1ccc(CCCNC(=O)CSCc2ccccc2F)cc1 222710576 YDJMSROFKBAFNI-UHFFFAOYSA-N 361.482 4.207 0 40 FIAB CC(C)Sc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 223029247 KMYKBTNIVJPWOW-UHFFFAOYSA-N 365.524 4.354 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223038172 XZRUCNICKHVUIA-NSHDSACASA-N 359.838 4.265 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1C(C)C 223795267 ULTWVYPISBUFHZ-FQEVSTJZSA-N 355.478 4.471 0 40 FIAB COc1ncccc1NC(=S)NCC1(c2ccc(F)cc2)CCCCC1 224007186 NLRNGAMXMMKARQ-UHFFFAOYSA-N 373.497 4.418 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(OC)c(C)c2)c1 224177073 ZYTBSYYXVOHPJP-UHFFFAOYSA-N 361.825 4.015 0 40 FIAB COC[C@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224343397 YGBQCLOIBWJMTE-HNNXBMFYSA-N 359.491 4.061 0 40 FIAB COc1ccc(Cl)cc1C[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225120536 TWJQVSUJZIUSQR-MRXNPFEDSA-N 355.217 4.385 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c(C)c1 225473534 AYCJKWAIPDTLLE-ZDUSSCGKSA-N 360.454 4.358 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)N[C@H](C)CC 225694600 DSAVLFQCUDHDJE-WBMJQRKESA-N 373.324 4.425 0 40 FIAB O=C(c1ccccc1)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 226245881 HSESUGWJJMLLPL-UHFFFAOYSA-N 365.864 4.093 0 40 FIAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 260841575 AKBXXMFGZOGURJ-IBGZPJMESA-N 366.505 4.036 0 40 FIAB O=Cc1cn(Cc2ccccc2Cl)c2cc(Cl)c(F)cc2c1=O 390822777 JKKBRONEZJDQQI-UHFFFAOYSA-N 350.176 4.308 0 40 FIAB O=C1N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccccc1F 409066176 KGDGGAXIILVPEW-OVCLIPMQSA-N 365.191 4.225 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)N1CC2(CCCC2)c2c(F)cccc21 500144604 BSAPUFDTTIBYRU-UHFFFAOYSA-N 353.393 4.069 0 40 FIAB COc1cccc(F)c1[C@@H](C)NC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527781665 XWZDETOEEHXIRA-AGIUHOORSA-N 368.399 4.257 0 40 FIAB O=C(c1cc(OC(F)(F)F)ccc1Cl)C(F)(F)Br 575361447 FXRUAQUPYLSPEN-UHFFFAOYSA-N 353.468 4.409 0 40 FIAB CCc1cc(N[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)ccc1F 585081803 FNUGYSXIJNRZEA-CQSZACIVSA-N 362.470 4.101 0 40 FIAB CCn1nc(C)c(CN2CCC(c3noc4cc(F)ccc34)CC2)c1C 685851032 NBAQENAOQVSPIP-UHFFFAOYSA-N 356.445 4.180 0 40 FIAB c1ccc(Sc2cc(Sc3ccccn3)nc(N3CCCC3)n2)nc1 1615627307 JEJHXKZYQIJZEX-UHFFFAOYSA-N 367.503 4.169 0 40 FIAB OCCCN(Cc1ccccc1)Cc1cccc(CN2CCCCC2)c1 1657786515 DFFXMOQIFAOWOQ-UHFFFAOYSA-N 352.522 4.057 0 40 FIAB COc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775967407 QLCLUMVSBRJVQS-CQSZACIVSA-N 374.487 4.340 0 40 FIAB CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(C)cc2C)C1=O 945240 IDTZIVPSUUEFPX-UHFFFAOYSA-N 370.836 4.138 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)cc1C 1518629 ORKVXDJLOBBORE-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB O=[N+]([O-])C(/C=C(\Cl)[N+](=O)[O-])=C(Nc1ccccc1)Nc1ccccc1 1640425 VYVDOOMQLARZRX-RVDMUPIBSA-N 360.757 4.013 0 40 FIAB CCCCNC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc(C)cc1 1907519 XKYCETBDBKFHNQ-RGEXLXHISA-N 370.880 4.336 0 40 FIAB CC[C@@H](C)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2396878 GKUHOBMMALOGKZ-CYBMUJFWSA-N 365.481 4.200 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccn(COc2ccccc2F)n1 2786528 ZJWKWQIISYWEQW-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB COc1ccc(NCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 2887802 PXEZLUZDIHLQQM-UHFFFAOYSA-N 367.474 4.102 0 40 FIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1ccc2c(c1)OCO2 3287656 YQCMMBDOHSSXKF-FNORWQNLSA-N 350.292 4.191 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1OC 3481130 UNNJRGWTBXCIIC-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902442 WSJCDIBESNMSPH-PHRGQOSZSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro CCOc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1Cl 4122570 AVFRHCKLJZSWGB-UHFFFAOYSA-N 369.646 4.457 0 40 FIAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccc(F)c3)sc2c1 4359518 QBMOKNLJGOCHNB-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB COc1c(NC(=O)CSc2nccn2C)ccc2oc3ccccc3c12 4818012 DDSKOVXANOTNLQ-UHFFFAOYSA-N 367.430 4.059 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)o2)cc1 5210674 YATPNHFCXXNBDR-AWEZNQCLSA-N 353.447 4.015 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1nc2ccccc2s1 5406310 INVKISZQVMISLS-UHFFFAOYSA-N 360.866 4.296 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ccccc1 5429113 CNYQERGGVULWAN-LLVKDONJSA-N 368.658 4.186 0 40 FIAB COc1cccc(CSc2ncnc3c2cnn3-c2ccc(C)cc2)c1 5518345 UZMRKCKCNBHWBD-UHFFFAOYSA-N 362.458 4.425 0 40 FIAB Cn1c(SCc2coc(-c3cccs3)n2)nnc1-c1ccccc1 6139999 MCUUUEOJMDUBQM-UHFFFAOYSA-N 354.460 4.491 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1 6386547 KTQCGZNHCZAQDW-UHFFFAOYSA-N 369.490 4.251 0 40 FIAB Fc1ccc(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 6392220 HXNKQTWFEAKNTC-UHFFFAOYSA-N 368.481 4.036 0 40 FIAB Cc1cc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)c(C)c(C)c1C 7385693 OOIOUSZPXIOSKH-UHFFFAOYSA-N 366.486 4.063 0 40 FIAB Cc1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8007236 RCGHOCFMAZCDBE-UHFFFAOYSA-N 361.445 4.074 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 8230729 QWBXJVMHHFIVBN-UHFFFAOYSA-N 364.376 4.230 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc3c(c2)OCO3)cc1 8427970 CIQGNMDHTKSFQB-GOSISDBHSA-N 353.418 4.181 0 40 FIAB Nc1c(Br)cc(NC(=O)c2ccccc2)cc1Br 8702096 RUNCNEPEKMHGPN-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB O=C(O)c1ccccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 8811655 ZAYXZBHOWDANDU-WSDLNYQXSA-N 354.793 4.422 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1SCc1ccco1 8852552 DEUOCLBDJSXGJS-UHFFFAOYSA-N 367.426 4.231 0 40 FIAB C[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc2c(c1)OCCO2 9579188 XKBQTTVVQWTHJV-AWEZNQCLSA-N 374.440 4.374 0 40 FIAB Cc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9791825 SUKPDOKHXANGQP-NRFANRHFSA-N 368.477 4.305 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1 10111096 ABRIZANCYAGAMW-HNNXBMFYSA-N 354.947 4.203 0 40 FIAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1cccc(F)c1 10139033 LXUJTQDPJITEBM-GFCCVEGCSA-N 370.346 4.183 0 40 FIAB O=C1C[C@H](c2cccs2)Cc2c1cnn2-c1nc2ccccc2s1 10157231 CWAHLQZQWYFBTE-LLVKDONJSA-N 351.456 4.456 0 40 FIAB COc1ccc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)nc2c1 10412529 ODGGDLWTIDGNJJ-UHFFFAOYSA-N 356.809 4.466 0 40 FIAB Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3ccccc3c2)CC1 12292307 OBPJSNXQYFOVPB-QHCPKHFHSA-N 361.485 4.165 0 40 FIAB O=C1N(c2cccc3ccccc23)c2ccccc2[C@]1(O)Cc1ccncc1 12360371 HBUWDTDTTFQNHV-XMMPIXPASA-N 366.420 4.343 0 40 FIAB Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccccc4F)no3)CC2=O)c1 12414359 KLGBKEYREMKBPP-CQSZACIVSA-N 351.381 4.013 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2Cl)cc1 12790468 RNYWXTCQGPMXPH-MGPUTAFESA-N 372.896 4.363 0 40 FIAB C[C@H]1CN(Cn2nc(Nc3ccccc3Cl)sc2=S)C[C@@H](C)O1 12889345 ABKJTILUZYCBCA-PHIMTYICSA-N 370.931 4.138 0 40 FIAB Cc1ccc(-c2nc(CC(=O)NCCN(C(C)C)C(C)C)cs2)c(C)c1 13011168 GRAHXFNGQZFFAX-UHFFFAOYSA-N 373.566 4.204 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167765 BSPNKNCFIOJLOT-UHFFFAOYSA-N 361.825 4.353 0 40 FIAB COc1cc(C)c2nc3c(cc2c1)CN(CCc1ccc(F)cc1)CCO3 13563838 LADPKNLWJIOPPT-UHFFFAOYSA-N 366.436 4.128 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)o1 14095405 IGBPJTCWJXLVDW-UHFFFAOYSA-N 352.438 4.063 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1 14219642 GXCZCSANNBMXPX-MRXNPFEDSA-N 368.296 4.187 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 14401068 AHUKPBUOSPJSDX-CQSZACIVSA-N 355.434 4.177 0 40 FIAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccccc1)C3 19882443 NEARNAHRHWKXNS-UHFFFAOYSA-N 369.848 4.403 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(F)cc2)c1C 20105458 FDIYRKCXKTUMBK-UHFFFAOYSA-N 361.438 4.183 0 40 FIAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4O)nc32)cc1 21801195 XWBOOBNTDSANAR-UHFFFAOYSA-N 369.428 4.366 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc3nc(CC)sc3c2)cc1 22255172 FUMGIUGSTQJPMG-UHFFFAOYSA-N 362.476 4.058 0 40 FIAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CCCC1 22475363 QHRJZABFVVAMFO-UHFFFAOYSA-N 354.397 4.430 0 40 FIAB C[C@H](NCCN(C)C)[C@@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C 22586821 OQLPSYJNZRYLOQ-IYVOBMDJSA-N 370.581 4.404 0 40 FIAB in-vitro O=C(Cc1csc(-c2ccco2)n1)OCc1nc2ccccc2s1 22962010 RVBNTWFOJHEGOY-UHFFFAOYSA-N 356.428 4.299 0 40 FIAB CN(Cc1ccncc1)C(=O)NCCC(c1ccccc1)c1ccccc1 24667017 DFHAAFUIOWSCOV-UHFFFAOYSA-N 359.473 4.445 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H]1CCc2ccccc21 24757778 JZTHDLIFBQZNPF-SUMWQHHRSA-N 358.869 4.261 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCCCCC1 27662561 IWFGECMEAXWAAS-GOSISDBHSA-N 372.534 4.169 0 40 FIAB COc1cccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 27747420 QEZALIOAMYWJCP-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB CN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCCc2ccccc21 29257078 PFOOLYLJRVGDAV-IRLDBZIGSA-N 365.473 4.394 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc2ccccc2c1 30397642 IOXRXTKBAHGXDZ-KXBFYZLASA-N 368.477 4.417 0 40 FIAB C[C@H]1CCc2sc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2C1 32667758 ZEPLJOOLBNAOAD-DOTOQJQBSA-N 372.534 4.423 0 40 FIAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1nc2ccccc2s1 32924045 CZTKWNHIPXPJHH-UHFFFAOYSA-N 364.430 4.308 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NCc1cccnc1Oc1cccc(F)c1 32924756 LYMSYQPAMHJPNL-OAHLLOKOSA-N 366.392 4.097 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1 33028469 FMCTVMXLMBKXQZ-LJQANCHMSA-N 360.885 4.160 0 40 FIAB O=C(c1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F 36302292 JSXINFDXNMOIQJ-UHFFFAOYSA-N 351.068 4.376 0 40 FIAB CC(C)c1nnc(C2CCN(C(=O)CCSc3ccccc3)CC2)o1 38518244 DUAPXDHVFICKST-UHFFFAOYSA-N 359.495 4.081 0 40 FIAB CC(C)CCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38859125 YMLAAJAPWHDSGG-CQSZACIVSA-N 357.325 4.368 0 40 FIAB O=C1C[C@H](c2noc(-c3cccc(Cl)c3)n2)CN1c1ccc(F)cc1 44420089 RFXBTHMADIORSR-LBPRGKRZSA-N 357.772 4.050 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1F 44902005 NPNQQNZIIPFKBB-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB Cc1ccc(-c2nc(C(=O)N3CCC(N4CCCCC4)CC3)cs2)cc1 48326583 NEDNDERWSIYJHM-UHFFFAOYSA-N 369.534 4.209 0 40 FIAB COc1cc(CNCc2cc(F)ccc2F)ccc1OCc1ccncc1 48714707 AZEQXHBKUNWEOO-UHFFFAOYSA-N 370.399 4.237 0 40 FIAB Cc1cccc(CSCC(=O)N2CCC(c3ccc(O)cc3)CC2)c1 55124246 BDDXXGOLOHUSRC-UHFFFAOYSA-N 355.503 4.340 0 40 FIAB C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 57576977 DPEMLBCGJXILSX-QWRGUYRKSA-N 357.306 4.410 0 40 FIAB CC(C)Oc1ccc(-c2cc(C(=O)NCCc3cccs3)no2)cc1 61997175 YSNDHJZPWRLDGZ-UHFFFAOYSA-N 356.447 4.163 0 40 FIAB C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(=O)c(Cl)c3)c2)C1 68777312 ORCKUGYXSSUOFL-CXAGYDPISA-N 374.868 4.376 0 40 FIAB CC(C)c1ccc(CNC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1 72332142 IYWIMQZMKAECBC-UHFFFAOYSA-N 367.424 4.248 0 40 FIAB COc1ccc(NC(=O)[C@H]2CCCN2Cc2cccc3ccccc23)cc1 78597132 AOAWCXWGEQTIDE-JOCHJYFZSA-N 360.457 4.452 0 40 FIAB CC(C)c1nc(/C=C/c2cnn(-c3ccc(Cl)cc3)c2)ncc1C(=O)O 78869152 XBNGBDNVQWDFSJ-FPYGCLRLSA-N 368.824 4.308 0 40 FIAB CC(C)Nc1cccc(CNC(=O)c2cccc(CN3CCCC3)c2)c1 79072506 ZFGFGGPBESVACA-UHFFFAOYSA-N 351.494 4.033 0 40 FIAB CC1(C)COC(C(C)(C)COC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)OC1 84673687 BZCDXSVZBWMGPZ-ZFWWWQNUSA-N 368.420 4.037 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C[C@H]1OCCc2ccsc21 95349296 QWBVVCMOHOQWSO-HZPDHXFCSA-N 359.491 4.483 0 40 FIAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2cccnc2)SC1 95477871 LLMUIWHBNXWUAV-KRWDZBQOSA-N 370.865 4.404 0 40 FIAB CSc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)o1 112277002 HOXRWXWLNNMIFY-UHFFFAOYSA-N 363.866 4.390 0 40 FIAB Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C)C(C)C)c(C)n1C 222561672 VAHRTZHGHYXWGV-UHFFFAOYSA-N 372.900 4.233 0 40 FIAB COc1ccc(-c2ncc(C(=O)Nc3cccc(SC)c3)c(C)n2)cc1 223143656 STWJNQZKADPEJC-UHFFFAOYSA-N 365.458 4.435 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1cc(C)cc(C)c1 224092409 NTCMIYHRBMOZPO-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)[nH]2)cc1 224352609 WWMXKOGVJNBWPY-PMACEKPBSA-N 362.502 4.458 0 40 FIAB CO[C@@H](CNC(=O)CSCc1ccccc1)c1ccc(Cl)s1 225702388 TZXSCJSZEAPLEY-ZDUSSCGKSA-N 355.912 4.139 0 40 FIAB COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c(OC)c1 225789502 UJFZRBMXKZUXGO-HNNXBMFYSA-N 374.506 4.075 0 40 FIAB COc1cc(Br)c2c(Cl)c(C(=O)O)sc2c1OC 228943479 JWZLPHFKHWQIFL-UHFFFAOYSA-N 351.605 4.033 0 40 FIAB CCOCC[C@H]1CCOC12CCN(C(=O)c1ccc3ccccc3c1)CC2 253385766 ULROMXPIYUMORB-NRFANRHFSA-N 367.489 4.278 0 40 FIAB O=C(c1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831906 VWMMIOPAGOKASZ-UHFFFAOYSA-N 357.401 4.048 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 408626838 IUAHBMGTIQYCAR-UHFFFAOYSA-N 369.273 4.388 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)cc4)c3)C(=O)[C@@H]2C1 408682725 LJCJXRWCARHQQE-VQTJNVASSA-N 374.440 4.093 0 40 FIAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc(-c2ccccc2)cc1 409000333 VNIAALLWCIEGPP-UHFFFAOYSA-N 360.413 4.219 0 40 FIAB CCN(C(=O)c1cccc(C(F)F)c1F)[C@H](C)[C@@H](O)c1ccccc1 529407729 IHYBOZSUHWXXAE-SJKOYZFVSA-N 351.368 4.348 0 40 FIAB Cc1c(I)cc(Br)cc1C(F)(F)F 575693452 VRBGCKJOYKQZSE-UHFFFAOYSA-N 364.930 4.381 0 40 FIAB OC[C@H]1CN(c2nc(C(F)F)nc3ccccc23)CC[C@H]1c1ccccc1 585082723 RDWBHNVXBIQWLQ-CVEARBPZSA-N 369.415 4.170 0 40 FIAB CCc1nc([C@H]2CCCCN2C(=O)c2oc3c(F)cccc3c2C)no1 606227950 TUYMTVYFTMQWTK-CQSZACIVSA-N 357.385 4.193 0 40 FIAB CC(=O)N1CCCCCCN(C(=O)c2ccc(F)cc2)Cc2ccccc21 643589525 VYXIBZYGPJLCQS-UHFFFAOYSA-N 368.452 4.395 0 40 FIAB O=C1CCCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)ccc2N1 672163497 IPSDMIRDIMHPHG-VWPQPMDRSA-N 374.484 4.370 0 40 FIAB COC(=O)c1cc(C)cc(NC(=O)N2CCC[C@@H](c3ccccc3)C2)c1 1673297889 XIJPJSXPZYPIKK-QGZVFWFLSA-N 352.434 4.193 0 40 FIAB CCCc1cc(=O)oc2cc(OCC(=O)c3cccc(OC)c3)ccc12 2146465 FAFZHEJQDIHOMX-UHFFFAOYSA-N 352.386 4.016 0 40 FIAB biogenic C[C@H]1CCc2sc3nc(SCC(=O)c4ccccc4)nc(N)c3c2C1 2208298 DFVWCINWKWFMII-NSHDSACASA-N 369.515 4.373 0 40 FIAB Cc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)cc1 2406393 DKSWHGRYQHRFFP-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(C(C)C)cc3)N2C1=O 2463384 TXEIIHQNBNFWGE-WBVHZDCISA-N 372.490 4.022 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 2628766 IMNGWKNBTWPZOC-FQEVSTJZSA-N 374.440 4.048 0 40 FIAB Cc1cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c(C)o1 3350009 ITKMLEKHFFUHMS-UHFFFAOYSA-N 363.439 4.432 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCC1 3563827 LGSVVKMVOAHPSX-JLHYYAGUSA-N 352.409 4.104 0 40 FIAB CCCCc1ccc(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 4148423 JFMOMVOZKKRDOI-OXQOHEQNSA-N 363.523 4.166 0 40 FIAB COc1ccc(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)cc1 4433491 ZUBSNHQJKBHSPL-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB Cc1cccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(Cl)cc4)N3C2=O)c1 4698532 FBRCCYHIFXQUIJ-RDJZCZTQSA-N 358.850 4.231 0 40 FIAB COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c(OC)c1 4790885 FWPDPBOXDHWBTB-UHFFFAOYSA-N 373.412 4.271 0 40 FIAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 4838319 MLUDCXVGODJPKS-SFHVURJKSA-N 350.462 4.329 0 40 FIAB CCn1c(C)cc(C(=O)COC(=O)c2oc3ccccc3c2COC)c1C 5199042 GMDMUKVIRQPSEK-UHFFFAOYSA-N 369.417 4.057 0 40 FIAB CCSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 5240729 HXMUMDLNRUIVPO-LLVKDONJSA-N 374.531 4.336 0 40 FIAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)o1 5332953 SFWCGXVFJAQPJY-UHFFFAOYSA-N 373.409 4.091 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)COc2c(C)cccc2C)cc1 5465962 LWMULWBRLPNGJR-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1C 5841536 RXEMJVMFCHPPDT-LZJOCLMNSA-N 365.473 4.451 0 40 FIAB CC(C)/N=C1\S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1C(C)C 6324813 DUAPMEFXRQYQMB-ATANSZTISA-N 359.451 4.240 0 40 FIAB CCN(CC)CCCn1c(S)nnc1CC12CC3CC(CC(C3)C1)C2 6400625 QDBSYPXDRLBSQE-UHFFFAOYSA-N 362.587 4.058 0 40 FIAB C[C@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)C1 6420520 ZGMDDXCAAKUXTC-LBPRGKRZSA-N 356.516 4.488 0 40 FIAB COc1cc(C(=O)Nc2cccc(C)c2)cc(Br)c1OC 6504339 HOGQRSIPHXGUTD-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 6504732 HKKWERZIGNGGOC-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB Cc1cc(C)cc(-c2nnc(S[C@@H](C(=O)N(C)C)c3ccccc3)o2)c1 7074009 LXWSWTXDTWBMLN-QGZVFWFLSA-N 367.474 4.275 0 40 FIAB CC(C)[C@@H](NC(=O)c1cc2c(s1)CCC2)c1ccc2c(c1)OCCO2 8124553 UNPLEEYFKTVKBN-LJQANCHMSA-N 357.475 4.135 0 40 FIAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1)C1CC1 8132174 IWZWONSTOBLFOU-AWEZNQCLSA-N 351.475 4.188 0 40 FIAB Cc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c(C)c1 8369267 KJRQPBIQEJDIRQ-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CSc1cccc(NC(=O)COc2ccc(F)cc2Br)c1 8393743 BPNDSPHTNZXZOI-UHFFFAOYSA-N 370.243 4.328 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8480835 WUFGLHJGICHFNZ-QGZVFWFLSA-N 368.477 4.191 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CCOc2ccc(Cl)cc2)c1 8532501 APWMIDGEJVEKID-INIZCTEOSA-N 360.885 4.295 0 40 FIAB CCOc1ccc(NC(=O)Cc2csc(-c3cccc(OC)c3)n2)cc1 8733884 FRPSHIFVPUEXNE-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB Cc1nnc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)s1 9481155 OWABTWOZQMIPPT-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB c1csc(-c2nc(Sc3ncn[nH]3)c3c4c(sc3n2)CCC4)c1 9515321 FZDDCMJGRQJKAP-UHFFFAOYSA-N 357.489 4.178 0 40 FIAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1ccncc1 9659999 OSGXVBOAKBRHCQ-UHFFFAOYSA-N 360.344 4.246 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(C)cc4)nc3C2)cc1 10156579 ANUDRIWAOQDYOL-INIZCTEOSA-N 359.429 4.450 0 40 FIAB Cc1ccc(Nc2nnc(S[C@@H](C(N)=O)c3ccccc3)s2)c(C)c1 10342055 SVBYAHNBTWRUDN-OAHLLOKOSA-N 370.503 4.217 0 40 FIAB O=C(O)COc1ccccc1CN1C[C@@H](c2ccccc2)C2(CCCC2)C1 12228171 VUESGVXUWYJFDQ-FQEVSTJZSA-N 365.473 4.310 0 40 FIAB Cc1cc2oc(C(=O)N3CCn4cccc4[C@@H]3C(C)C)cc(=O)c2cc1C 12290084 AYCGEUOCCUTBST-NRFANRHFSA-N 364.445 4.064 0 40 FIAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)c1ccc(C)o1 12595426 RYBLXYAZEAWIHL-UHFFFAOYSA-N 362.378 4.476 0 40 FIAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccccc1-c1ccccc1 12825582 OEQOJCNWZDKZHG-UHFFFAOYSA-N 367.426 4.161 0 40 FIAB CCCc1ccc(C(=O)[C@H](C)OC(=O)c2c(OC)cccc2OC)cc1 13109426 RMHXMSHQABWHFZ-AWEZNQCLSA-N 356.418 4.085 0 40 FIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N=c1[nH]c2ccccc2[nH]1 13734552 VPTIDQFJQRLVMA-UHFFFAOYSA-N 368.849 4.322 0 40 FIAB CCCCCC(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 14185594 YFNNBUOLANSOQW-UHFFFAOYSA-N 351.497 4.027 0 40 FIAB CCOc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1 14255367 HJALZRORHAUZAJ-UHFFFAOYSA-N 365.429 4.380 0 40 FIAB CCCCn1nc(C)c2c(C(=O)Nc3cc(F)ccc3F)cc(C)nc21 17073919 HCBQMJLETPWZKI-UHFFFAOYSA-N 358.392 4.379 0 40 FIAB CC(C)(C)c1ccc(N/C=C(\[C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 18068949 XHWBDFZTWKPMLA-WQJNHMDYSA-N 352.390 4.426 0 40 FIAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2cccc(F)c2F)on1 19120938 YHAUICDGNOHCTA-INIZCTEOSA-N 358.392 4.379 0 40 FIAB CC(C)c1ccc(CN2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)cc1 19453214 NAEWUFCCPMNJIB-GOSISDBHSA-N 367.493 4.070 0 40 FIAB CN(C)CCN(Cc1cc(Cl)c(O)c(Cl)c1)Cc1cccs1 19582669 BVIRENLABQAQEC-UHFFFAOYSA-N 359.322 4.324 0 40 FIAB Clc1cccc2[nH]c(-c3ccc(I)cc3)nc12 20156679 KQANSNAMPFISTJ-UHFFFAOYSA-N 354.578 4.488 0 40 FIAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc2c3c(cccc13)CC2 24870966 YDIBLRPNFAOOLH-UHFFFAOYSA-N 372.424 4.265 0 40 FIAB Cn1c(SCC(=O)c2ccccc2OC(F)(F)F)nc2ccccc21 26508941 GNVGFGNJIZEKIF-UHFFFAOYSA-N 366.364 4.447 0 40 FIAB CCCCOc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 27645368 BNEXOUDQWSXRTE-UHFFFAOYSA-N 364.474 4.482 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27742405 OFAAKRYPNOSVSR-GOSISDBHSA-N 358.507 4.104 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2cccs2)cc1C 28403553 OGSDIHBVRVAIHA-HNNXBMFYSA-N 355.463 4.016 0 40 FIAB O=C(NCCc1cccc(Cl)c1)N[C@H](c1ccccc1)c1ccccn1 29338280 JLTRHRNJMDXHMF-HXUWFJFHSA-N 365.864 4.366 0 40 FIAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(N2CCCC2)cc1 29358543 JNWSYUNYVFDQFM-UHFFFAOYSA-N 371.440 4.039 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1csc(Br)c1 30793221 NYUFAGBKKOIVLO-INIZCTEOSA-N 373.275 4.425 0 40 FIAB COc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 31969788 QOLUQVQBHANBPR-UHFFFAOYSA-N 372.222 4.100 0 40 FIAB CCOC(=O)c1cccc(Nc2c(-c3ccccc3O)nc3ncccn23)c1 35622680 OCWZGUNMJPBJSL-UHFFFAOYSA-N 374.400 4.022 0 40 FIAB Cc1ccsc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(Cl)nn1 36352806 XAZOEADPILFGET-JTQLQIEISA-N 359.842 4.118 0 40 FIAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cc(-c2ccccc2)on1 36709534 JGYTZJWCIHRZAS-UHFFFAOYSA-N 372.793 4.359 0 40 FIAB Cc1cc(C)cc(OCCC(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1 36732951 UZTRHNLOBZNCGZ-HXUWFJFHSA-N 369.461 4.269 0 40 FIAB CSc1ccc(CN(C)C(=O)c2ccccc2OC[C@H]2CCCO2)cc1 40013775 SINDSFLXTJNGBR-QGZVFWFLSA-N 371.502 4.239 0 40 FIAB CCC(C)(C)NC(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1 40049295 KMYYYAGBSGFASF-UHFFFAOYSA-N 351.450 4.140 0 40 FIAB O=C(Nc1ccccc1CN1CCCC1)c1ccc(Br)s1 40090884 FCCKMKJSSUNAQR-UHFFFAOYSA-N 365.296 4.359 0 40 FIAB Cc1ccc(C)n1-c1nc(CC(=O)NCCSc2ccccc2)cs1 40131287 BCLYKZFLORZEKP-UHFFFAOYSA-N 371.531 4.002 0 40 FIAB O=C(Nc1cccc(F)c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 43155037 BRDVFNHVIXIHAR-IBGZPJMESA-N 364.424 4.270 0 40 FIAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(F)cc1 45999320 MKVWHOFYUCYEIO-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 47892136 NTGHGWCVHINHDY-NWDGAFQWSA-N 369.305 4.365 0 40 FIAB O=C(c1ccccn1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 49432835 ROZMNTKHAKZGSR-UHFFFAOYSA-N 373.865 4.028 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364475 BGOJSALRZWUDGR-QGZVFWFLSA-N 374.440 4.162 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Sc2nncs2)c2ccccc2)cc1 55006613 MGYZZIMNRUHYOJ-PBHICJAKSA-N 369.515 4.233 0 40 FIAB CC(=O)Nc1c(C)ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1C 55156210 BNFLQPHEJZAFRQ-OAQYLSRUSA-N 365.477 4.037 0 40 FIAB CCC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(CC)cc2)c1 55622174 GMSQEWLMJHYQMF-UHFFFAOYSA-N 366.870 4.052 0 40 FIAB CC(C)N1CC[C@@H](CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 58140328 YOHOPAYBOFSSOZ-GHTZIAJQSA-N 368.546 4.367 0 40 FIAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2cc(C)cc(C)c2)c1C 58172369 QCLOQGMAXJIIBV-UHFFFAOYSA-N 360.479 4.016 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H]3C[C@@H](C)CC[C@H]32)cc1 58196440 UDAJUNSCCRSBHQ-ILZDJORESA-N 357.494 4.475 0 40 FIAB O=C(Nc1ccn(Cc2cccnc2)n1)Nc1cc(Cl)ccc1Cl 58200800 HYTNMNKUQBPMDR-UHFFFAOYSA-N 362.220 4.277 0 40 FIAB Cc1nc2ccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cc2o1 58433352 ZXHTWJPSUHHGJM-UHFFFAOYSA-N 366.808 4.287 0 40 FIAB O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 70020366 AWKYSKMROCSMLT-OTWHNJEPSA-N 374.843 4.118 0 40 FIAB Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)NCc2cccs2)C1 72082672 OBHUHZHUDNOPFP-CQSZACIVSA-N 363.914 4.036 0 40 FIAB CN(C)c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1N 72229328 AGKLIRYDCFOXDZ-UHFFFAOYSA-N 368.662 4.003 0 40 FIAB CN(C(=O)N[C@@H]1CCOc2ccccc21)[C@H](c1ccccc1)c1ccccn1 89310282 MIEMVJPJGFROCY-DENIHFKCSA-N 373.456 4.336 0 40 FIAB COc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)c(C)c1 95097177 JXDKQKVXJRLUFW-UHFFFAOYSA-N 360.479 4.135 0 40 FIAB CC(C)n1c(C(=O)N(C)Cc2ccccn2)cc2c1c1ccccc1n2C 96146288 NMKCLGCKKJDBLO-UHFFFAOYSA-N 360.461 4.381 0 40 FIAB O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)OCCc1cccnc1 105557776 JJQXDKLZXJWGHW-SOFGYWHQSA-N 364.376 4.207 0 40 FIAB COc1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 216415353 TYRHPVCFZBGMGX-UHFFFAOYSA-N 371.380 4.453 0 40 FIAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C)cc1C 222755077 CELJXBHEEAHDKN-VQTJNVASSA-N 362.502 4.091 0 40 FIAB COc1ccccc1OCCNC(=O)c1cc2c(ccc3ccccc32)o1 224020051 MBRIMOWKRNMBLS-UHFFFAOYSA-N 361.397 4.403 0 40 FIAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccccc2)n1 225929168 OCBJGSSQKSCVJP-UHFFFAOYSA-N 350.447 4.064 0 40 FIAB Cc1cccc(NC(=O)CCS(=O)(=O)c2cc(Cl)ccc2Cl)c1 409217503 COZMNAZHXBBQPN-UHFFFAOYSA-N 372.273 4.104 0 40 FIAB CC(C)(Cc1ccccc1)c1nc(-c2cccnc2OCC(F)F)no1 545849235 GHJPUUSVTHYBRR-UHFFFAOYSA-N 359.376 4.296 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)Nc1cccs1 585147863 DSVLMWQUCTUKLY-JTQLQIEISA-N 350.490 4.393 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N1CC2(CCOCC2)[C@@H]1c1ccco1 618108485 QJYXBDBPDCILSV-INIZCTEOSA-N 365.351 4.292 0 40 FIAB CCO[C@@H](c1nc(-c2ccc(Br)cc2OC)no1)C(C)C 624540526 ITVDFRUNMRNXJN-CYBMUJFWSA-N 355.232 4.241 0 40 FIAB c1ccc(CN2CCC3(CCCc4cccc(n4)OCCOC3)CC2)cc1 2037978223 JDHSSYACFAYKTR-UHFFFAOYSA-N 366.505 4.096 0 40 FIAB CC(C)N(C)C[C@@H]1CCC2(CCN(C(=O)CC3=CCCCC3)CC2)CO1 2055835386 SWLRFENCXDTGKA-FQEVSTJZSA-N 362.558 4.005 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)[nH]c2ccccc12 2632939 JHKRDLAWEAJJEX-UHFFFAOYSA-N 366.726 4.453 0 40 FIAB CCOc1cc(F)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C 46520003 UOCWGLBTPSGWKS-UHFFFAOYSA-N 357.360 4.110 0 40 FIAB COc1cc(C(C)=O)ccc1OC(=O)COc1cc(C)ccc1C(C)C 940125 IXZIGLKDQUPFIT-UHFFFAOYSA-N 356.418 4.314 0 40 FIAB CC(C)CCNC(=O)CSCc1csc(-c2ccc(F)cc2)n1 32778864 CPQXPWQTTORKPZ-UHFFFAOYSA-N 352.500 4.345 0 40 FIAB Cc1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1C 8266917 UTQGSBDPVLCRKS-UHFFFAOYSA-N 368.521 4.355 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1 6649453 HQIOGLSGNWYJIT-OAHLLOKOSA-N 356.491 4.336 0 40 FIAB O=C(CSc1nnc(C2CC2)o1)Nc1ccccc1Oc1ccccc1 7288175 PGBGCOYZQBTZAJ-UHFFFAOYSA-N 367.430 4.470 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1 10440820 SSPDXZGIPXJQDW-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB CC(C)C(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 12390260 HOMTVTBLAKPFAI-GOSISDBHSA-N 350.447 4.025 0 40 FIAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NC1CCCCCC1 16960832 LFZAVZPAPNDVBV-UHFFFAOYSA-N 361.489 4.466 0 40 FIAB COc1ccc(Nc2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1 819482 LAKAILIBGZXITQ-UHFFFAOYSA-N 353.447 4.168 0 40 FIAB O=S(=O)(c1ccc(F)cc1)n1c(Cc2ccccc2)nc2ccccc21 972018 ASMGPRSMNVPWSQ-UHFFFAOYSA-N 366.417 4.003 0 40 FIAB CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1 945046 MRVARLSIOCUXKH-UHFFFAOYSA-N 356.330 4.129 0 40 FIAB biogenic Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)CC2=O)c1 59227275 RCOAHRAZPPVLSQ-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1C 20457483 ZUIMXYLQEIDXJS-AWEZNQCLSA-N 373.474 4.300 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1c(Cl)nc2sccn12 3231228 BFZDXPKNPXMBTJ-UHFFFAOYSA-N 360.870 4.292 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3O)o2)cc1C 107918961 QWUXUDQKSSWCDY-UHFFFAOYSA-N 366.442 4.396 0 40 FIAB Fc1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 105224547 SQSCNEKULZUNLV-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB Cc1ccnn1C[C@H](C)c1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1 100775947 ZPBZKZOGIWJTGA-LBPRGKRZSA-N 367.840 4.064 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1 3309985 WWJITHAYGFVWGB-CQSZACIVSA-N 371.433 4.013 0 40 FIAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 10193545 LNMZUVSKJYCHTA-AREMUKBSSA-N 370.518 4.198 0 40 FIAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cn2ccccc2n1 3340455 ITTXCBBIJQIZHJ-UHFFFAOYSA-N 354.841 4.230 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)c1 12761102 QNHQFNWDHWJDER-YPNIWSFNSA-N 351.446 4.389 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCc2ccccc2COC(C)C)c(C)c1 28043639 FCWZRYJSPWCJMS-UHFFFAOYSA-N 361.507 4.015 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c(OC)c1 36358327 ATMBKTDJBGHWLE-CQSZACIVSA-N 367.380 4.152 0 40 FIAB O=C(c1ccccc1O)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 97102658 RVLUQZFODKNWPF-HNNXBMFYSA-N 369.808 4.073 0 40 FIAB CC(C)Oc1ccc([C@H](CCN2C(=O)CCC2=O)c2ccc(F)cc2)cc1 2452868 DUMVNXHERSMALB-HXUWFJFHSA-N 369.436 4.284 0 40 FIAB Cc1cc2ncn(C[C@H](O)COc3ccc(Cl)cc3Cl)c2cc1C 36751008 KERTZEHGEJDRHL-AWEZNQCLSA-N 365.260 4.400 0 40 FIAB CCOC(=O)c1ccccc1C(=O)c1ccc(CN2CCCCC2)cc1 2514499 GEAYCUMGIOIRRH-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB Fc1ccc([C@H](NCc2nnc(-c3ccco3)o2)c2cccs2)cc1 12803369 LFXVQYZYGLMGIL-KRWDZBQOSA-N 355.394 4.409 0 40 FIAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1 3433662 ZMVWQIALVFQGSU-LBPRGKRZSA-N 363.255 4.287 0 40 FIAB Cc1cccc2sc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)nc12 3449601 GYEIPKBACHQJHT-MRXNPFEDSA-N 368.458 4.415 0 40 FIAB Cc1csc(=O)n1CC(=O)N[C@@H](c1ccc(C(C)(C)C)cc1)C(C)C 18092602 OTTRNXYHKIYGGO-GOSISDBHSA-N 360.523 4.029 0 40 FIAB CN(CCOc1c(Cl)cccc1Cl)CC(=O)Nc1ccc(F)cc1 13072852 BKHVJWVILLGCEH-UHFFFAOYSA-N 371.239 4.082 0 40 FIAB CSc1ccc(Cl)c(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)c1 13178875 PMLDZRNKGPRGMI-INIZCTEOSA-N 363.866 4.316 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)C1 6045217 JKVSNRRYIDBCAS-GFCCVEGCSA-N 357.479 4.396 0 40 FIAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(C(C)(C)C)cc1 8428584 VLOGDGPJTRBQLW-ZDUSSCGKSA-N 354.479 4.146 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)N[C@@H]1CCOc2ccccc21 14069910 VHBUERPUAKRFBM-MRXNPFEDSA-N 370.499 4.294 0 40 FIAB O=C(CSc1ccccc1F)NCCc1ccc(C(F)(F)F)cc1 14183753 WHQRBUXIGOFSAN-UHFFFAOYSA-N 357.372 4.296 0 40 FIAB Cc1ccc2c(c1)[C@@H](O)C[C@@H](C)N2C(=O)c1ccc(Br)cc1 4742643 SDEWODWVTXANBO-PXAZEXFGSA-N 360.251 4.230 0 40 FIAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1C1CC1 7617285 IUDNRFFKWISGEV-VIFPVBQESA-N 370.400 4.060 0 40 FIAB C=C1c2ccccc2N=C(SCC(=O)Nc2cccnc2Cl)N1C 7982472 HNJIDOUDAKGLSG-UHFFFAOYSA-N 358.854 4.011 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(CO)c1 8032008 WLWCWZJZKFXMQY-UHFFFAOYSA-N 360.772 4.187 0 40 FIAB O=C(CSCc1ccccc1Br)NCCc1ccccc1 22718132 VXFHBGYTJRBSBJ-UHFFFAOYSA-N 364.308 4.041 0 40 FIAB COc1cc(-c2ccccc2)sc1C(=O)Nc1nnc(C2CC2)s1 79833940 RUSRDNSEUFSVLT-UHFFFAOYSA-N 357.460 4.405 0 40 FIAB Cc1ccccc1C(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C 28229072 ZCVLGXIBSLWZBW-UHFFFAOYSA-N 371.387 4.375 0 40 FIAB O=C(Nc1cccc(NC(=O)c2c(F)cccc2Cl)c1)c1cccnc1 32454138 NQQJCANOEMBLCI-UHFFFAOYSA-N 369.783 4.379 0 40 FIAB CCNc1nc(CSc2nc3ccccc3o2)c(C(=O)OCC)s1 1505840506 HVTZTFVPIJUQHE-UHFFFAOYSA-N 363.464 4.185 0 40 FIAB O=C(NCC12CC(CO1)C2)Nc1cccc(OCc2ccc(Cl)cc2)c1 528975557 ARDYAEIJQOIKIL-UHFFFAOYSA-N 372.852 4.220 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCOc2ccc(C)c(C)c2)cc1Cl 32769295 JCXJMBGNNOFXHB-UHFFFAOYSA-N 360.841 4.323 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 78441981 NPANEXNHCTZWOT-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB O=C1C[C@@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccccc3F)c2N1 66089630 OQXGYDRRJUUUDY-SSDOTTSWSA-N 359.300 4.241 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC(Oc2nc3ccccc3o2)CC1 225680415 XJRXMDXPJHPDKG-UHFFFAOYSA-N 356.809 4.165 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cc1OC 45382472 YPVVLHGLHNMVFC-LLVKDONJSA-N 353.340 4.214 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 47340885 VEWWGIGNBMODAY-HUUCEWRRSA-N 357.475 4.124 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)CCc1ccc(OC)cc1)c1nc2ccccc2[nH]1 47173792 ZIWSFIUMJYSKCE-QVKFZJNVSA-N 365.477 4.408 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(C)c2)cc1OCC 225856405 DHHYERLCUFAILM-INIZCTEOSA-N 371.477 4.221 0 40 FIAB Cc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1Cl 225727966 HNCNYFWDKYSEIK-KBPBESRZSA-N 353.963 4.303 0 40 FIAB COC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl 225367398 RMCYLPUNVCHJDX-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB O=C(O)c1cnc(COc2ccc(Cl)cc2)nc1Nc1ccccc1 49469710 DXBXGMRBLSFBKK-UHFFFAOYSA-N 355.781 4.151 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccccc2Br)C1 40287648 HNGQWHIWHWQONM-ZDUSSCGKSA-N 369.222 4.153 0 40 FIAB COc1ccc(Cl)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584678 RWESUUNERWELMM-YMRXKLBXSA-N 359.882 4.333 0 40 FIAB Cc1cc(C)c(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 225652541 IVMMXDYAPKQYBD-UHFFFAOYSA-N 355.825 4.245 0 40 FIAB Cc1ccc2c(c1Br)CN(C(=O)N[C@H](C)c1cscn1)C2 661638252 PKRPRVBELUHXNF-SNVBAGLBSA-N 366.284 4.000 0 40 FIAB Cc1cc(C)cc(CCC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1 676387106 PFKHSAYVSVXTBV-UHFFFAOYSA-N 360.457 4.085 0 40 FIAB C[C@H](COc1ccccc1F)NC(=O)c1cnc(Cc2ccccc2)s1 1322458601 HJAAESQJOVLXFH-CQSZACIVSA-N 370.449 4.070 0 40 FIAB COCCOc1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1 96122921 KQZVAYQCLCXJBP-UHFFFAOYSA-N 367.470 4.370 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)nc1 1615124428 XCYITIJNOVXJBT-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB COc1ccc(NC(=O)c2cccc3ccccc23)cc1N1CCCC1=O 5440956 TZLUMKBXUDBNFR-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB CCn1c(C)cc(C(=O)COC(=O)c2nc(-c3ccccc3)oc2C)c1C 5536839 NCYYQYLLWFCFFL-UHFFFAOYSA-N 366.417 4.128 0 40 FIAB Fc1ccc(-n2c(-c3ccncc3)nn(CN3CCCCC3)c2=S)cc1 12557391 HZBPLMVUOUFUJQ-UHFFFAOYSA-N 369.469 4.048 0 40 FIAB Cc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 12993720 FKONQQUFTVYFLZ-ZHACJKMWSA-N 362.473 4.194 0 40 FIAB CN(CC(=O)Nc1cccc(Cl)c1)Cc1ccc(OC(F)F)cc1 13038296 YRNTYHDIKHNRMN-UHFFFAOYSA-N 354.784 4.012 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 14076994 XBFSEZOLYSKIDS-UHFFFAOYSA-N 364.367 4.440 0 40 FIAB COc1ccc(OCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 16516500 VUMWYRXEXHSEGV-UHFFFAOYSA-N 361.441 4.100 0 40 FIAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N(C)Cc1ccccc1 28191017 ALJWRVIKQWODHS-HNNXBMFYSA-N 351.475 4.077 0 40 FIAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1 14428843 RJXLOFNGXMZWNV-LJQANCHMSA-N 358.441 4.135 0 40 FIAB CCc1ccc(NC(=O)Cn2c(-c3nnc(CC)o3)cc3ccccc32)cc1 15881381 YWGLBWJHNCACJP-UHFFFAOYSA-N 374.444 4.455 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccccc1NC(=O)c1ccsc1 38678807 DYHGCWPDCAIJRD-UHFFFAOYSA-N 369.446 4.177 0 40 FIAB Cc1ccc(CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 12232739 VGPQJAWDCOKQFD-UHFFFAOYSA-N 350.443 4.004 0 40 FIAB CC(=O)O[C@H](CN1CCCCC1)Cn1c2ccccc2c2ccccc21 16839766 TWSPREIBPMBEHY-GOSISDBHSA-N 350.462 4.212 0 40 FIAB COc1ccc([C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C2CC2)cc1 40062293 LPCWJHDXCFSRSR-FQEVSTJZSA-N 350.418 4.066 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc4ccccc4n3)n2)cc1 40012888 PURYKPYIDVJUNX-UHFFFAOYSA-N 358.401 4.165 0 40 FIAB COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(F)cc2F)n1 40111276 KHDKQWOCHRYFAB-UHFFFAOYSA-N 364.348 4.488 0 40 FIAB O=C(NCC[C@@H]1CCCO1)Nc1ccc(N2CCc3ccccc32)cc1 40151785 PIKOBJRICDEIRE-IBGZPJMESA-N 351.450 4.071 0 40 FIAB CCN1C(=O)[C@H](Cc2cccc(OC)c2)c2cc(Br)ccc21 101014766 FLXCOTZOIIENJC-MRXNPFEDSA-N 360.251 4.151 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@H]3O 608231 NIDRYBLTWYFCFV-OAVHHTNSSA-N 370.445 4.380 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 712840 CCEIILIGKCSTOU-SFHVURJKSA-N 350.462 4.166 0 40 FIAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCc1ccco1 811873 LEQBXOCDJQIKCD-UHFFFAOYSA-N 364.445 4.314 0 40 FIAB O=C(CSCc1ccccc1)Nc1nnc(Cc2ccccc2F)s1 841351 APECXXUGHUSHDH-UHFFFAOYSA-N 373.478 4.140 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1OC 917136 UNZXZBJTGGQQBG-UHFFFAOYSA-N 370.430 4.037 0 40 FIAB COC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCCC2 995294 ZLVLGRXPSHRFBX-UHFFFAOYSA-N 359.447 4.065 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN1C(=O)NCc1ccccc1 1379671 WEXABSAXDCXAFA-OAQYLSRUSA-N 373.456 4.153 0 40 FIAB Brc1cc(Br)c2nc(-c3cnccn3)ccc2c1 1384436 AYQALEWANVYYQC-UHFFFAOYSA-N 365.028 4.217 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4ccc(F)cc4)nn12)CC(C)(C)OC3 2208070 KCNNRMGKSDTKIB-UHFFFAOYSA-N 368.437 4.305 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1 2314501 QCTWYOXBVNWMSS-IFMALSPDSA-N 356.425 4.420 0 40 FIAB Brc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1 2443106 HSMYCQNCPYPUCG-UHFFFAOYSA-N 363.265 4.344 0 40 FIAB CCCCNC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 2628837 FDKJMTHFFKZEPX-UHFFFAOYSA-N 368.458 4.036 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCc2ccccc21 2639762 VPKYVWHUSMFBEA-UHFFFAOYSA-N 365.864 4.405 0 40 FIAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)F)cc1 3265846 XIFUDODUQIXFDD-UHFFFAOYSA-N 373.327 4.075 0 40 FIAB COc1cccc(OC)c1OC(=O)C(C)(C)Oc1ccc(Cl)cc1 3336437 TXAZDSQGQRPGKB-UHFFFAOYSA-N 350.798 4.120 0 40 FIAB CCOc1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc(OC)cc23)cc1 4372261 VHTVZGVTYHOSDH-YLJYHZDGSA-N 370.474 4.028 0 40 FIAB CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2N)cc1 4406110 FYPBMTSRANTPAZ-UHFFFAOYSA-N 366.490 4.118 0 40 FIAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCC2)cc1 4887491 DPMWZHKEDNJDDD-JLYLLQBASA-N 361.530 4.440 0 40 FIAB C[C@H](OC(=O)c1cc2ccccc2s1)c1nc2ccccc2c(=O)[nH]1 5088278 CYTFPERLRLDBAN-NSHDSACASA-N 350.399 4.056 0 40 FIAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1c(F)cccc1Cl 5219327 QHSAVEOBMQMNLK-CTDFXDFQSA-N 356.828 4.116 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1cccs1 5256505 FIODDNWWOUEXRL-GOSISDBHSA-N 353.447 4.195 0 40 FIAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(Cl)cc2)c1=O 5269123 FZYCHRYEMCFENG-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1ccccc1CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 5334782 MNZPXYGWRMAUCU-DEOSSOPVSA-N 370.452 4.185 0 40 FIAB COc1cc(-n2nnnc2SCc2ccccc2)c(Cl)cc1Cl 5356972 CKAROHQNBFNRSA-UHFFFAOYSA-N 367.261 4.270 0 40 FIAB CCCCN(CCCC)CC(=O)Nc1cc(N(C)C)nc2ccccc12 5834502 OWCDBLUTAHMQHG-UHFFFAOYSA-N 356.514 4.142 0 40 FIAB biogenic CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 5835570 ZRQYREATUCXCJK-INIZCTEOSA-N 360.523 4.119 0 40 FIAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)cc2)cc1 6767583 UQVKWAGJIQUMNG-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCC)c(OCC)c1 7601361 PZBVFRYSEBJDBV-UHFFFAOYSA-N 370.906 4.088 0 40 FIAB CCOc1cc2c(cc1CNC(=O)[C@@H](CC)c1ccccc1)O[C@H](C)C2 7814324 JPYUKBUPENVCRC-BEFAXECRSA-N 353.462 4.219 0 40 FIAB O=C(COc1cccc(F)c1)N[C@@H](c1ccc(F)cc1)c1cccs1 7885480 FGLRRWFZGXZGDD-IBGZPJMESA-N 359.397 4.311 0 40 FIAB Cc1cc(NC(=O)c2ccccc2)cc(C)c1I 8072048 RRVMWDOHBSYXJQ-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CC(C)[C@H](NC(=O)c1cc2c(s1)CCC2)c1ccc2c(c1)OCCO2 8124550 UNPLEEYFKTVKBN-IBGZPJMESA-N 357.475 4.135 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 8216809 GDGSTSMNGQITRB-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CC[C@H](CO)NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8337095 OBULWXKZHUQARQ-MRXNPFEDSA-N 354.277 4.433 0 40 FIAB COc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 9063378 CCUFVSITJSJNPE-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB O=c1cc(CSCc2ccc(Cl)c(Cl)c2)nc2sccn12 9376058 OAJRMFFLAJSGSE-UHFFFAOYSA-N 357.287 4.496 0 40 FIAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cc(Cl)ccc1Cl 10900770 RFSQOXBHIWWHFL-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB CCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCC)cc1 11694354 ABIZTSYGNPNSDX-UHFFFAOYSA-N 369.396 4.061 0 40 FIAB COc1cc(C)c(CN2CCC(c3cc4cccnc4[nH]3)CC2)cc1OC 12133397 DZQUORYVKPVTPR-UHFFFAOYSA-N 365.477 4.268 0 40 FIAB O=C(C1CC1)N1CCN(Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 12854810 BRURUUJKYYQQHX-UHFFFAOYSA-N 360.910 4.123 0 40 FIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2ccccc2[nH]1 14048546 WGMIMGBEWVLPAH-UHFFFAOYSA-N 368.343 4.067 0 40 FIAB CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 14915765 ANCAADMZXRFPKB-JTQLQIEISA-N 360.932 4.036 0 40 FIAB O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)n(-c2ccccc2)n1 17185851 SWAOEUSPHAZFME-UHFFFAOYSA-N 352.393 4.334 0 40 FIAB CC(C)c1nccn1CCC(=O)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19454497 MTIHHIXXDLWOPI-LGGPRVQUSA-N 365.521 4.485 0 40 FIAB CC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1 20898196 QUBRJPKSROVWQP-UHFFFAOYSA-N 369.808 4.164 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 22407125 DANPEBWPZWGEJK-FXAWDEMLSA-N 364.489 4.405 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cc(F)ccc1F)O[C@@H](C)C2 24021593 JCSCALQERDEDKG-NTYUQYKDSA-N 359.372 4.339 0 40 FIAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCc2ccccc2C1 24842301 XTWCKKQHHXFDBS-UHFFFAOYSA-N 355.235 4.129 0 40 FIAB Cc1cccc(OCCSc2nnc([C@H]3COc4ccccc4O3)o2)c1 26436040 FKZJWUUQERRCOK-QGZVFWFLSA-N 370.430 4.062 0 40 FIAB Cc1ccc2oc(C(=O)Nc3ccccc3Br)cc(=O)c2c1 27990911 QBDKOIYUFFCZET-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc2ccccc12 28434162 DWYQFTQVFSRDKH-HNAYVOBHSA-N 368.477 4.417 0 40 FIAB CCC(C)(C)NC(=O)CSc1nnc(SCc2cccs2)s1 32823823 PRNBVFSUMRPRBQ-UHFFFAOYSA-N 373.594 4.289 0 40 FIAB CC(C)c1ccc2nc3sc(C(=O)NC[C@@H]4CCCO4)c(N)c3cc2c1 35314298 JWVZFNBLWUBWMM-AWEZNQCLSA-N 369.490 4.064 0 40 FIAB Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 36245564 RIORVTILHSPFRX-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB C[C@@H](Nc1cccc(OC2CCCC2)c1)C(=O)N1CCc2ccccc21 36392609 XXTZPWBOZBBTCI-MRXNPFEDSA-N 350.462 4.398 0 40 FIAB CCC(=O)Nc1ccc(C)c(NC(=O)c2csc(Br)c2)c1 36396849 MQHOWVNSNJHJHN-UHFFFAOYSA-N 367.268 4.420 0 40 FIAB COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(F)cc2Cl)c1C 39995064 WZGLAULPUPPZKO-LBPRGKRZSA-N 353.821 4.367 0 40 FIAB O=S(=O)(CCCc1ccccc1)Cc1coc(-c2cccc(F)c2)n1 40070024 YBULGGMEIGXHQD-UHFFFAOYSA-N 359.422 4.028 0 40 FIAB Cc1ncsc1C(=O)Oc1cccc2ccc(N3CCCCC3)nc12 48279738 BZVFEZUTXYZMMK-UHFFFAOYSA-N 353.447 4.209 0 40 FIAB Cc1sc2ncnc(SCCC(=O)Nc3ccc(O)cc3)c2c1C 49548533 GYPAGBHLMYXDMS-UHFFFAOYSA-N 359.476 4.135 0 40 FIAB C[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 49581013 ZXDWMKBGXXQLFV-VXGBXAGGSA-N 361.367 4.354 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(C[S@@](C)=O)c1 54225113 FRIJXRKWQZOXRA-QHCPKHFHSA-N 370.301 4.144 0 40 FIAB CC(=O)N(c1ccc(F)cc1)c1nc(CSc2nncs2)cs1 54913760 SLXLOEPKGMYSLH-UHFFFAOYSA-N 366.468 4.111 0 40 FIAB C[C@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccccc1F 56187755 UNTKNVUVCKSUIE-HNNXBMFYSA-N 365.408 4.239 0 40 FIAB Cc1ccc(CN(C)C(=O)Nc2cccc(CN3CCCC3=O)c2)c(C)c1 58130363 LXMMVVCPEYXDBQ-UHFFFAOYSA-N 365.477 4.090 0 40 FIAB C[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)c1nc(C2CC2)no1 58190692 HWAYHNCAEFZDTQ-NSHDSACASA-N 354.435 4.434 0 40 FIAB C[C@@H](c1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Cl)s1 58407212 YMOHBHHKKNHZTL-QMMMGPOBSA-N 374.896 4.189 0 40 FIAB CSc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccn12 60549745 ZOZLMKMYQJHHMG-UHFFFAOYSA-N 367.352 4.207 0 40 FIAB COc1ccc(Cc2noc3nc(-c4ccccc4)cc(C(=O)O)c23)cc1 62710710 KVKQATJDYBGDLQ-UHFFFAOYSA-N 360.369 4.187 0 40 FIAB O=C(c1ccncc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349156 BSJJRGUKRUAYRL-UHFFFAOYSA-N 357.457 4.087 0 40 FIAB Cc1cc(N)c2cc(NC(=O)c3ccc(Br)cc3)ccc2n1 72414094 ZQASVQVHGUJUIW-UHFFFAOYSA-N 356.223 4.140 0 40 FIAB C[C@@H]1CCN(C(=O)c2ccc(OC3CCOCC3)cc2)[C@@H](c2ccco2)C1 75389387 URGZTHSOSFOVDR-OXQOHEQNSA-N 369.461 4.451 0 40 FIAB COc1cc(CN2CCC[C@H]([C@@H](C)O)C2)ccc1OCc1ccc(F)cc1 96003585 RVPDFAUNTVWFSN-APWZRJJASA-N 373.468 4.006 0 40 FIAB FC(F)Oc1cc2c(cc1CNc1cc(C(F)(F)F)ccn1)OCO2 97227590 MKPRZDVXCRXPQR-UHFFFAOYSA-N 362.254 4.043 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)CC1=O 103718158 BPMNYYJCDVVRRV-INIZCTEOSA-N 350.462 4.284 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 211083768 YIKHGZYLMQBPBC-ZDUSSCGKSA-N 371.483 4.124 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1ccccc1 214669024 ABZMFMSMXUGLNP-XNTDXEJSSA-N 372.833 4.015 0 40 FIAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SC)s1 224839169 CWQOIPIXRJUJKH-ZDUSSCGKSA-N 365.524 4.354 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSc1ccccc1 224897245 QAVPOLWERWSMCS-MRXNPFEDSA-N 355.503 4.241 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225152970 CNHULGAACNZEPC-AWEZNQCLSA-N 370.474 4.358 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccccc1Cl 225440575 CUGMORXUJOSADB-QGZVFWFLSA-N 359.853 4.310 0 40 FIAB O=C(CCc1c(F)cccc1Cl)NCc1ccnc(-c2ccco2)c1 225655582 DSEBEIGJMHMACA-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)N[C@@H](C)CC 225722001 WHPXRPWVSYAPRP-BLLLJJGKSA-N 373.324 4.425 0 40 FIAB CCOc1ccc(C2(NC(=S)Nc3ccc(OC)nc3)CCCC2)cc1 225874875 JGEGENWIWBPXMN-UHFFFAOYSA-N 371.506 4.245 0 40 FIAB CCNC(=O)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257197512 BMAANGNWHRCJOV-UHFFFAOYSA-N 359.416 4.107 0 40 FIAB Cc1cccnc1Nc1ccc([C@H]2CN(CCc3ccccc3)CCO2)nc1 257212137 CCBSIRGEROIREI-JOCHJYFZSA-N 374.488 4.145 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCOc2cccc(F)c2C1 513073763 HKHWQDCFFNQXDQ-INIZCTEOSA-N 369.436 4.066 0 40 FIAB CC(C)Cn1ncc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1C1CC1 557929239 KVLOQKDRDHHZNZ-GOSISDBHSA-N 353.466 4.173 0 40 FIAB Cc1cc(N2CC[C@@H](OCc3csc(C)n3)C2)c2cc(F)ccc2n1 585083250 HJRQKIXJUGJDFB-MRXNPFEDSA-N 357.454 4.243 0 40 FIAB OC[C@H](C1CC1)N(Cc1ccccc1)Cc1cc2cc(Cl)cnc2o1 648520437 GORSXRAQHWQGJV-LJQANCHMSA-N 356.853 4.254 0 40 FIAB CN(C)Cc1cc(CN(C)C)cc(C(=O)c2cc(Cl)cc(Cl)c2)c1 1857793342 VRUSNUXNOPMWEX-UHFFFAOYSA-N 365.304 4.348 0 40 FIAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc(F)c(Cl)c1 652631 YUBFXOPXSYYHJG-UHFFFAOYSA-N 361.726 4.211 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@H](CC)C2 668418 RKFIRGQZZPDVFJ-LBPRGKRZSA-N 358.463 4.087 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 679045 FIJQMQPXNGADEP-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB COc1ccc2oc(=O)c(-c3nnc(Nc4ccc(F)cc4)s3)cc2c1 846033 DJMGPPJGIBBTTB-UHFFFAOYSA-N 369.377 4.203 0 40 FIAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCCCCCC1)c1ccccc1 2152403 AUACYMAGKQFONV-UZYVYHOESA-N 362.473 4.250 0 40 FIAB Cc1ccccc1NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2320244 UJFDAYHVQAYDNA-UHFFFAOYSA-N 364.445 4.180 0 40 FIAB COc1ccccc1C1CCN(C[C@H](O)CSc2cccs2)CC1 2387815 RIZNENMNVRGEFT-INIZCTEOSA-N 363.548 4.089 0 40 FIAB Cc1ccc(C(C)C)c(OCCCN2C(=O)C(=O)c3cccc(C)c32)c1 2706830 BBJNXWCOXLTCQJ-UHFFFAOYSA-N 351.446 4.425 0 40 FIAB Cc1ccc(NCC(=O)Nc2ccccc2Br)c(Cl)c1 3449678 OZMCFFMAKZBHIH-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB CCN(Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)C(C)C 4230404 BBVNHCGPLDMUDD-HXUWFJFHSA-N 367.472 4.080 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nc(-c2ccccc2)cn1N 4251855 HNDRPECHCIUUGH-UHFFFAOYSA-N 367.474 4.158 0 40 FIAB CSc1cccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)c1 4316180 GAGRPUQTDSJONN-UHFFFAOYSA-N 352.463 4.167 0 40 FIAB COc1ccccc1N1CCN(C2CCN(C3CCCCCC3)CC2)CC1 4398208 YRBSCSSBIRSNAF-UHFFFAOYSA-N 371.569 4.004 0 40 FIAB CCCNC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCC2 5027485 PSSXVCKYMPPQSL-UHFFFAOYSA-N 372.490 4.028 0 40 FIAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)o1 5093359 XZJYJFJKCKOSNZ-IBGZPJMESA-N 365.477 4.332 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c(C)c1 5244448 IETBGVZWRFRVRI-UHFFFAOYSA-N 364.401 4.062 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCC2)cc1C 6215464 MZESGNGZCDDLBF-ZHZULCJRSA-N 366.461 4.116 0 40 FIAB CC1=C(C(N)=O)[C@H](c2ccccc2)N2C(c3ccc(C)cc3)=CSC2=N1 6300048 PANGWJWBLGBGNF-IBGZPJMESA-N 361.470 4.212 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cc2ccccc2o1 6942347 CNFVVUOHUDWDJL-UHFFFAOYSA-N 371.418 4.308 0 40 FIAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1c[nH]c2ccccc12 7508382 RCWWTIDUZRIRMF-UHFFFAOYSA-N 353.765 4.228 0 40 FIAB C[C@@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccco1 7741847 KIUCWBDJALYCBV-MRXNPFEDSA-N 351.402 4.115 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3cnc4ccccc4n3)cc2)cs1 8156703 YWOKZYKEYZFTGA-UHFFFAOYSA-N 374.469 4.034 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4)cs2)cc1OC 8208896 SVOLVSFXTSHQGH-UHFFFAOYSA-N 366.442 4.379 0 40 FIAB O=C(CN(C1=NCCCCC1)c1ccc2c(c1)OCCO2)c1ccccc1 8435931 QNSMYVRCRPHCDR-UHFFFAOYSA-N 364.445 4.120 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)Nc3cc(C)ccn3)s2)cc1OC 8710869 YYRKFJYICYXGNF-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 11476865 FZAHRVOWSVAOGV-BTYIYWSLSA-N 368.477 4.415 0 40 FIAB Fc1ccccc1-n1cnn(CN2CCC[C@H]2c2ccccc2)c1=S 12537036 CBFMVGDWNNGASZ-KRWDZBQOSA-N 354.454 4.337 0 40 FIAB CC(C)[C@H](C(=O)NCCc1cn2ccccc2n1)c1ccc(Cl)cc1 12666284 OGZCXCWRKMOXAJ-IBGZPJMESA-N 355.869 4.086 0 40 FIAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2c1 12854265 AKTSAMRBCZRMPJ-CALCHBBNSA-N 360.457 4.460 0 40 FIAB COc1ccc(CCC2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 12867407 JAQKDJAVAUUMAG-UHFFFAOYSA-N 370.468 4.118 0 40 FIAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)oc2c(Cl)cccc12 13011697 LSRDBFFLOKKCAP-JTQLQIEISA-N 370.792 4.366 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc3ccccc23)s1 15195215 LEXYLUJEGFCUDZ-UHFFFAOYSA-N 354.431 4.459 0 40 FIAB COc1ccc(CCNC(=O)c2sccc2-c2ccccc2)cc1OC 15514905 YVOZJEBIKLBOKK-UHFFFAOYSA-N 367.470 4.405 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C2CCCCC2)CC1 16385398 KRINSLOBQAVRJL-UHFFFAOYSA-N 356.297 4.476 0 40 FIAB Cc1cc(C)cc(-n2ccnc2SCc2nc3ccsc3c(=O)[nH]2)c1 22115057 YHBQAWLYMWWJRZ-UHFFFAOYSA-N 368.487 4.079 0 40 FIAB COC(=O)c1ccoc1COC(=O)C1(c2ccc(Cl)cc2)CCCC1 24039326 COXUZYFKVMDLPE-UHFFFAOYSA-N 362.809 4.275 0 40 FIAB CCc1nc(C)c2c(C)c(C(=O)N3CCc4sccc4C3)sc2n1 24834654 OKLMWRRXOSLJRU-UHFFFAOYSA-N 357.504 4.131 0 40 FIAB CC(=O)Nc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1F 24978900 AGRZHMYKTSKMIA-LLVKDONJSA-N 363.820 4.185 0 40 FIAB CN(C(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccccc1 25683394 CEZIPQTULNKBJB-UHFFFAOYSA-N 350.443 4.301 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccccc1 29762352 PHKVSKHHOPMDNO-MRXNPFEDSA-N 354.450 4.013 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)c2ccc(-c3nc(C)no3)cc2)c1 32905859 QZVIRPGEQDDTGL-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1OC 36874606 GSJFTAPOFJUVCX-UHFFFAOYSA-N 373.880 4.485 0 40 FIAB Cc1ccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C(C)C)cc1 40141404 LTFCTJQZMUEEBF-UHFFFAOYSA-N 371.444 4.500 0 40 FIAB Cc1cccc(OCCNC(=O)c2cc(-c3ccc(F)c(F)c3)on2)c1C 41156704 CIPIZUZZOVJXIU-UHFFFAOYSA-N 372.371 4.045 0 40 FIAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933435 ILTYFJLVWKILFS-PXNSSMCTSA-N 354.469 4.224 0 40 FIAB COc1ccc(CCC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 45050249 KKNWPOGHYNHIGM-UHFFFAOYSA-N 367.489 4.118 0 40 FIAB COc1ccc(CCC(=O)N2CCCCC[C@@H]2c2cccn2C)cc1OC 57816024 CPECHQKYVNQRRG-LJQANCHMSA-N 370.493 4.119 0 40 FIAB COc1ccc(C2(C(=O)Nc3ccc(-c4nnco4)cc3)CCCC2)cc1 58807623 UJUCGEVCEZLIRJ-UHFFFAOYSA-N 363.417 4.196 0 40 FIAB Oc1ccc2c(c1)CCN(c1nc(-c3ccncc3)nc3ccccc13)CC2 69370157 JPPZZPHDDWAEGI-UHFFFAOYSA-N 368.440 4.003 0 40 FIAB COc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)n2)cc1 71977385 KPGHUPVGTOFCHO-UHFFFAOYSA-N 356.223 4.164 0 40 FIAB COc1cc(-c2cc(-c3ccccc3Cl)nc(N)n2)cc(OC)c1OC 71977842 FWBBOEFKASXMOG-UHFFFAOYSA-N 371.824 4.072 0 40 FIAB N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(OCc2ccccc2)c1 72233812 PMVUKWUXUVWXEP-RPWUZVMVSA-N 358.485 4.192 0 40 FIAB C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCCCC1)[C@H]1CCCO1 72271653 WEZKUOMREPTIOA-RHSMWYFYSA-N 350.890 4.366 0 40 FIAB Cc1cc(C(=O)Nc2ccc(OC(F)F)c(F)c2)nn1-c1ccccc1 77686748 YXROBZUBRJCWMM-UHFFFAOYSA-N 361.323 4.174 0 40 FIAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)/C=C/c1cnccn1 84810939 MOEPNMDEXJEYQP-RZIFZGNASA-N 351.450 4.208 0 40 FIAB CO[C@@H](c1ccccc1F)[C@@H](C)NCc1cn(-c2ccccc2)nc1C 95989237 MNEPFHQATVXXPN-IIBYNOLFSA-N 353.441 4.186 0 40 FIAB CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1C 96105045 GVHLIRSGOMZTPG-SFHVURJKSA-N 365.395 4.450 0 40 FIAB CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccsc1 96120642 GTDUOWZWWUDYFK-HNNXBMFYSA-N 357.397 4.203 0 40 FIAB Fc1ccc([C@@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 97078050 ZDTNJGSZHUIXNC-SFHVURJKSA-N 368.412 4.391 0 40 FIAB Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2cccc(C)c2)c1 100519830 SHWKPSRQAGMRCR-IDPBPBMLSA-N 360.457 4.319 0 40 FIAB COC(=O)c1cc(NC(=O)c2oc3c(C)cccc3c2C)c(F)cc1F 107097718 WKRVDKLHXLTKCF-UHFFFAOYSA-N 359.328 4.367 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1c(-c2ccccn2)noc1C 131569412 KBCNPUAYXBVIFT-OAHLLOKOSA-N 353.447 4.256 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCS[C@H](c2cccs2)CC1 219460522 UTPFVBSWJCSLIX-SFHVURJKSA-N 356.516 4.410 0 40 FIAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222730524 NZGDXHGHXPXPNX-MSOLQXFVSA-N 368.893 4.128 0 40 FIAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1 223738131 JNLJDTNKOWWCGV-UHFFFAOYSA-N 355.459 4.059 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)C 223790148 DSBJURGFZCIVPV-IBGZPJMESA-N 359.441 4.302 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(F)cc3)cn2)C1 223947818 VUDKAZCTWIJCQB-HUUCEWRRSA-N 372.513 4.190 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224356424 QDBSIQNGALPLDK-HNNXBMFYSA-N 367.445 4.148 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C 224385352 UELUAGDVLASBCN-CYBMUJFWSA-N 373.324 4.283 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224419442 NQRUXIRWJTZKFR-QZTJIDSGSA-N 353.422 4.299 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)NC3CCCCCC3)o2)c(OC)c1 224865203 IIIUIOKJLCYCJN-UHFFFAOYSA-N 372.465 4.130 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257675 HCEWWROIEFOMRR-UHFFFAOYSA-N 371.396 4.269 0 40 FIAB O=C(NCCCN1CCCC1)c1cccc(OCc2ccccc2Cl)c1 225778089 ABWWRLJNYCWUHJ-UHFFFAOYSA-N 372.896 4.135 0 40 FIAB CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Br 226287423 OSZKYZBMQINJOG-UHFFFAOYSA-N 373.250 4.348 0 40 FIAB CN1Cc2ccccc2OC2(CCC(N(C)C[C@@H]3CC=CCC3)CC2)C1 257324751 WPZLWBUBYGOAMQ-VWRAKTAISA-N 354.538 4.480 0 40 FIAB CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409250697 XYGJIOFAIZXGKS-UKTHLTGXSA-N 364.879 4.465 0 40 FIAB COc1ccc(Cc2nnc(SC(=O)Cc3ccc(Cl)cc3)o2)cc1 409390474 DBRAPBJAXBWYGY-UHFFFAOYSA-N 374.849 4.184 0 40 FIAB CC(C)c1nnc(Cn2cc(-c3ccc(Br)cc3)cn2)s1 565219353 ZVBJRUWLEZHACK-UHFFFAOYSA-N 363.284 4.336 0 40 FIAB CN(C)c1cccc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)c1 828598403 IKMWEPSUUMDQNV-INIZCTEOSA-N 372.515 4.006 0 40 FIAB O=C1c2cc3ccccc3cc2C(=O)N1c1cccc(Br)c1 1051904 BWJAMSRLFQWPBG-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB CCC(=O)c1ccc(OCOc2ccc(C(=O)CC)cc2OC)c(OC)c1 1703854 ZVNYZXYLPFWDIE-UHFFFAOYSA-N 372.417 4.305 0 40 FIAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cc(Cl)ccc1Cl 1943864 PBJUMJUEEJXNRR-RMKNXTFCSA-N 350.201 4.189 0 40 FIAB O=C(CNc1ccc(Cl)cc1F)Nc1ccccc1Br 3432581 HMKQXPRZFWKTLS-UHFFFAOYSA-N 357.610 4.292 0 40 FIAB CCCn1/c(=N/C(=O)c2oc3ccc(OC)cc3c2C)[nH]c2ccccc21 3435587 UYZIMVUHMNSQTI-UHFFFAOYSA-N 363.417 4.184 0 40 FIAB COc1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)cc1 3458898 AWAQTRXHNHNINI-UHFFFAOYSA-N 360.460 4.301 0 40 FIAB O=C(NC(=S)/N=c1/[nH]c2c(ccc3ccccc32)s1)c1cccs1 4135276 KDJZDSPTXVFGOF-UHFFFAOYSA-N 369.496 4.060 0 40 FIAB CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2Cl)C1=S 4406328 LTDMFCIPBPBFGY-UHFFFAOYSA-N 366.870 4.133 0 40 FIAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 4700322 MUWBOUKNKGJVFJ-CQSZACIVSA-N 369.336 4.464 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1 5168608 LHCPMZXZSNJQHX-UHFFFAOYSA-N 371.444 4.341 0 40 FIAB CCC(=O)Nc1ccc(C2=NN=C(Nc3ccc(C)cc3)SC2)cc1 5262111 OMJYVQUOOMOCEN-UHFFFAOYSA-N 352.463 4.263 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)o1 7194882 ZLKNKNYBLYPLRM-SECBINFHSA-N 350.346 4.280 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 8104801 DGRMSJGVEFPULY-AWEZNQCLSA-N 366.442 4.045 0 40 FIAB O=C(OCc1cc(-c2ccco2)on1)C1=Cc2cc(Cl)ccc2OC1 8520458 BVYXTFGULIXEFZ-UHFFFAOYSA-N 357.749 4.107 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc2ccccc2o1 8751567 MSHXRQFTKVTLNJ-UHFFFAOYSA-N 360.369 4.208 0 40 FIAB C[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1 9364783 IKWBDNBVHLHPRL-SNVBAGLBSA-N 365.911 4.388 0 40 FIAB CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 11916861 WIZGXEDDHVIQIF-UHFFFAOYSA-N 364.427 4.005 0 40 FIAB Cc1cccc(C(=O)N(C)c2ccccc2C(=O)NC2CCCCC2)c1 12293006 QAKZAPMEPKESSA-UHFFFAOYSA-N 350.462 4.334 0 40 FIAB O=C(NCCc1cccs1)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12374982 JYGPXRISSXNJTJ-ZPVISIIKSA-N 368.340 4.141 0 40 FIAB Cn1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1 12444388 BDWGBMMOHJXLDC-UHFFFAOYSA-N 353.234 4.103 0 40 FIAB Cc1cc(C)cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c1 12506880 XPVMRPHONLQVRQ-SFHVURJKSA-N 353.853 4.210 0 40 FIAB COc1ccc(-n2ccnc2SCc2cnn(-c3ccccc3)c2)cc1 12556730 VIQPWXPLEYGOIP-UHFFFAOYSA-N 362.458 4.359 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1 12790746 PEBCEIHEZONPKO-UHFFFAOYSA-N 363.461 4.113 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccco4)N(C)C)c23)C1 12856400 FXFXNZBMQSIEAG-JSGCOSHPSA-N 356.495 4.124 0 40 FIAB CN(Cc1ccc(Cl)c(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 12888057 LCYMNDBHGARVPK-GOSISDBHSA-N 363.288 4.445 0 40 FIAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(F)c1 13011254 QBNFGUGKXRYYBY-UHFFFAOYSA-N 367.449 4.093 0 40 FIAB CCOc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 13206944 VYGLCUZXENISQG-UHFFFAOYSA-N 355.438 4.220 0 40 FIAB COc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 13689915 FMCCOSAZGDKVGF-UHFFFAOYSA-N 359.414 4.077 0 40 FIAB COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc(Cl)c1OC 14789980 VZDRPPNKUAPZSM-UHFFFAOYSA-N 373.758 4.306 0 40 FIAB CCOC(=O)N1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 16078329 QCTTYPNWQMRPRB-UHFFFAOYSA-N 363.461 4.109 0 40 FIAB Cc1cccc(CN(C)C2CCC3(CC2)CN(C)Cc2ccccc2O3)n1 19236098 KUNRLDDREOHPIY-UHFFFAOYSA-N 365.521 4.028 0 40 FIAB Cc1cccc2cnc(C3CCN(C(=O)c4ccnc(N(C)C)c4)CC3)cc12 19236692 IGGQLILTQBADMH-UHFFFAOYSA-N 374.488 4.024 0 40 FIAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 19287144 GMJKFGGJDVELDR-RVDMUPIBSA-N 352.887 4.456 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCC(c3cc4ccccc4cn3)CC2)cc1 19592526 BFNVJVVKJAAEAY-UHFFFAOYSA-N 374.440 4.041 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(OC)c1 19931510 GAMLRDYVCDHMQN-FQEVSTJZSA-N 371.477 4.000 0 40 FIAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(C)nc2ccccc12 20013645 KWZWRTKCAPMXFA-UHFFFAOYSA-N 364.445 4.223 0 40 FIAB CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20733448 AAKJFKAGVJYXKW-FQEVSTJZSA-N 368.521 4.396 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)c1 21004743 AJBWJVMZIWWPDH-UHFFFAOYSA-N 360.413 4.129 0 40 FIAB CC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 21596454 KBYOTLUSDRKXKI-UHFFFAOYSA-N 361.879 4.450 0 40 FIAB CC(=O)Nc1cccc(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)c1 23566210 GYWOPSPDAODPBH-UHFFFAOYSA-N 353.418 4.130 0 40 FIAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(C(F)(F)F)nc1 26795802 KFIBSSPWEGITLW-UHFFFAOYSA-N 363.364 4.154 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)cc2)n1 28246996 NFIJJHLMZMXCCX-UHFFFAOYSA-N 371.444 4.191 0 40 FIAB O=C(OCc1csc(Nc2ccccc2)n1)C1=Cc2ccccc2OC1 32747117 UGAGFHWLRHBFCL-UHFFFAOYSA-N 364.426 4.406 0 40 FIAB CN(C)[C@@H](CNC(=O)CCn1ccc2ccccc21)c1ccccc1Cl 32747990 DOBHCOSDYSEDBZ-FQEVSTJZSA-N 369.896 4.104 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21 32869155 RHKBCICKBVUXPG-UHFFFAOYSA-N 363.446 4.388 0 40 FIAB CCc1ccc2c(c1)c(C)c(C(=O)N1CCC(N3CCCCC3)CC1)n2C 33435946 NAKJWHLRSONEJA-UHFFFAOYSA-N 367.537 4.140 0 40 FIAB CSc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478411 JERYWLNUOLBHFW-UHFFFAOYSA-N 357.866 4.382 0 40 FIAB Cc1ccccc1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44890857 CSIAWIBKUVEKBZ-SFHVURJKSA-N 350.447 4.308 0 40 FIAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccc(OC(C)C)cc1 45889366 AWGTXNCQSBUANU-UHFFFAOYSA-N 370.478 4.238 0 40 FIAB CCCn1ccc2cc(NC(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)ccc21 51420697 WFZUGYGEYNZGBJ-QGZVFWFLSA-N 369.509 4.275 0 40 FIAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ccoc1C 55593559 ITNBHYODPUKACW-ZIAGYGMSSA-N 354.450 4.267 0 40 FIAB Cc1cc(N)nc(SCc2ccc(OCc3ccc(F)cc3)cc2)n1 63533853 OMHYGUISEDRTOO-UHFFFAOYSA-N 355.438 4.378 0 40 FIAB O=C(Nc1ccccc1O)c1cn(-c2ccccc2F)c(=O)c2ccccc12 71287552 FGTRRYYSKGMIHD-UHFFFAOYSA-N 374.371 4.088 0 40 FIAB Cc1nc(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)sc1C 76092071 CMJZMFMKGADHMV-KRWDZBQOSA-N 359.495 4.054 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2C1=Cc2ccccc2OC1 79483823 TZAPMDUMZPJJJI-INIZCTEOSA-N 357.435 4.022 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2cc[nH]c2c1 79490532 SCFPZXKHEOBSPX-UHFFFAOYSA-N 366.808 4.443 0 40 FIAB C[C@H](Cc1ncc[nH]1)OCc1cn(-c2ccccc2)nc1-c1ccccc1 89904131 YIGGKFWNFFKMKX-QGZVFWFLSA-N 358.445 4.410 0 40 FIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 95115870 YDMHQOLBOQJNBG-KRWDZBQOSA-N 361.214 4.286 0 40 FIAB CCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2Cl)NC1=S 101400708 QMUSDBXSIILOIT-UVTDQMKNSA-N 359.882 4.054 0 40 FIAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1C 102301559 XDGOWFKTDWVCOZ-KDURUIRLSA-N 374.440 4.011 0 40 FIAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1csc(-c2ccc(C)o2)n1 105778763 PYGKCWRXBUSJAP-BPUTZDHNSA-N 360.479 4.018 0 40 FIAB O=C(NC1(c2ccc(Cl)cc2)CCC1)c1cnn(-c2ccccc2)c1 108909106 DGRKCUNWYSDQNX-UHFFFAOYSA-N 351.837 4.335 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 218917347 VWXVCGSMFKZUAF-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 222869694 DDUGIDLJPSFGPR-OAHLLOKOSA-N 371.462 4.004 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc2ccccc2c1 223621523 RKWUCXSVOOAQRL-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB Cc1cccc(CN2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)c1 224528805 WDDFGBUICYWDOO-LJQANCHMSA-N 350.506 4.127 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 225176497 KFLLXQUIVDMPMO-UHFFFAOYSA-N 370.474 4.278 0 40 FIAB COc1ccc(CCNC(=S)Nc2cccc(OC(C)C)c2)cc1OC 225317053 JANPJSMJWWQKDI-UHFFFAOYSA-N 374.506 4.020 0 40 FIAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(F)c(Cl)c1 225734521 FPMFONYGLMVPDK-UHFFFAOYSA-N 365.191 4.086 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](Cc3nccs3)C2)o1 257266524 MDJWNBZQHQYJEK-AWEZNQCLSA-N 368.458 4.166 0 40 FIAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ccccc2)sc2c1CCC2 408572935 BZWVDDDZDZRDKJ-NSHDSACASA-N 361.488 4.143 0 40 FIAB Cc1nn(CCNC(=O)/C=C/c2cccs2)c(C)c1-c1ccsc1 575616255 YFPRAEFHBJDXSY-AATRIKPKSA-N 357.504 4.120 0 40 FIAB CC(C)(C)OC(=O)N1CCCC[C@@H](n2c(=N)[nH]c3cccc(Cl)c32)C1 584641341 RLOMMSBIWKGLDH-GFCCVEGCSA-N 364.877 4.064 0 40 FIAB Cc1cccc(C)c1OC1CCN(C(=O)C2(C(F)F)CCCC2)CC1 585083810 UGPXYPQZQQPDHQ-UHFFFAOYSA-N 351.437 4.499 0 40 FIAB O=S(=O)(N[C@@H](c1cccs1)C(Cl)(Cl)Cl)c1ccccc1 852251 NNNLFBBUKQKHSN-NSHDSACASA-N 370.710 4.138 0 40 FIAB CSc1ccc([C@H]2SC[C@H]3C(=O)N(c4ccccc4)C(=S)N32)cc1 1443759 TWRJHQMQDPNJKS-DOTOQJQBSA-N 372.540 4.156 0 40 FIAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1 1751699 ACCPWCMNSHKILV-UHFFFAOYSA-N 370.836 4.135 0 40 FIAB O=C1C[C@@H](N(O)c2ccc(Cl)cc2)C(=O)N1c1cccc2ccccc12 2401690 MRLLJUFTHQSWEC-GOSISDBHSA-N 366.804 4.021 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccccc1C 2963377 LBJKXMQROKCBJX-QRWLVFNGSA-N 354.475 4.328 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC 3359432 HDWHKSOSWYQJOY-UHFFFAOYSA-N 356.422 4.085 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 3369490 RLBMCYRZYROCGR-JTQLQIEISA-N 363.788 4.398 0 40 FIAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl 3552935 PHDCMBOEVDOPDI-QLJPJBMISA-N 352.217 4.011 0 40 FIAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c1 3572085 YXKHDSAOFSLZSN-LBPRGKRZSA-N 367.276 4.461 0 40 FIAB Cc1ccc(OCc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 4150926 IZNUKGRWXXGAQT-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB CCOCC(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 4162556 OJONOUSUBFONJX-UHFFFAOYSA-N 372.808 4.314 0 40 FIAB Oc1nc(/C=C/c2c[nH]nc2-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 4171604 NONZLGKVZLPYQD-ZZXKWVIFSA-N 366.730 4.415 0 40 FIAB CCCOc1ccc(-c2nnn(Cc3ccc(Cl)cc3Cl)n2)cc1 4183028 KXAKNTNTIBTFEY-UHFFFAOYSA-N 363.248 4.484 0 40 FIAB Clc1cccc(-n2ncc3c(SCc4cccnc4)ncnc32)c1 4271745 BEFZTJMWOCVHHE-UHFFFAOYSA-N 353.838 4.156 0 40 FIAB O=C(OC1[C@H]2CC[C@@H]1[C@@H]1CN(CCc3ccccc3)C[C@@H]21)c1ccccc1 4648866 MWVAYBRVMWOVBX-PCFDSBEJSA-N 361.485 4.043 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 4699422 UAIJETWQMWUFGV-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H](C(C)C)n2cnc3ccccc3c2=O)cc1 5271336 GVRNNBIZTXLGGI-FQEVSTJZSA-N 363.461 4.356 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5476326 MOCSPHSWORPUIA-ZBFHGGJFSA-N 354.425 4.331 0 40 FIAB CCc1ccc(CC)c(C(=O)CSc2nncn2-c2ccccc2)c1 5621762 PGDGWSKTNZLCHZ-UHFFFAOYSA-N 351.475 4.367 0 40 FIAB CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4 6504596 JSWZKZQYFGGCJX-UHFFFAOYSA-N 374.535 4.212 0 40 FIAB O=S(=O)(Nc1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1 6786598 SCNNKYXULKCJMQ-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB CC(C)[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 6939747 ZFYWQROJOKSYDZ-QFBILLFUSA-N 359.853 4.036 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1ccccc1Cl 7702126 CBRDMEMMJZUNBV-QGZVFWFLSA-N 363.891 4.469 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 8271934 JZBGJRDKBOSWSC-UHFFFAOYSA-N 367.474 4.475 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N(C)c3ccccc3)n2)cc1 8484168 HTINTYHFNWTBAP-CQSZACIVSA-N 366.490 4.178 0 40 FIAB CC(=O)N(c1cccc(C)c1)c1nc(CSC2=NCCS2)cs1 8752921 CCDWOEYUMQWNSO-UHFFFAOYSA-N 363.533 4.472 0 40 FIAB Cc1ccc2sc(NS(=O)(=O)c3ccc(Cl)cc3)nc2c1C 8864667 KVHMZPXBQGZSHC-UHFFFAOYSA-N 352.868 4.367 0 40 FIAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O 8942844 PQDDNDQIEGYSLO-IBGZPJMESA-N 360.816 4.227 0 40 FIAB Cc1cccc(-c2cc(C(=O)Nc3ccc(Br)cc3)n[nH]2)c1O 8973108 MHKJBAZBBPHXBX-UHFFFAOYSA-N 372.222 4.106 0 40 FIAB O=C(Cc1noc2ccccc12)N1CCC[C@@H]1c1nc2ccccc2s1 9516653 CFNHSJZNIWPION-MRXNPFEDSA-N 363.442 4.344 0 40 FIAB COc1ccc(C)cc1NC(=O)CN1CCC(CCc2ccccc2)CC1 11154930 OUDSCZBLAKDYGD-UHFFFAOYSA-N 366.505 4.287 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1=Cc2cc(Cl)ccc2OC1 11369968 NQHKVYJUYFBBQS-UHFFFAOYSA-N 368.820 4.103 0 40 FIAB COC(=O)CCc1cc2c(C)cc(=O)oc2cc1OCc1ccc(C)cc1 11865191 DOLTXSHSTHPOHY-UHFFFAOYSA-N 366.413 4.094 0 40 FIAB biogenic CN(CCc1ccccn1)c1ncc(-c2ccncc2)c(-c2cccs2)n1 12222429 DYNBFYPJSIYXRB-UHFFFAOYSA-N 373.485 4.341 0 40 FIAB Fc1cccc(-c2cnc(-c3ccncc3)c(CNC[C@@H]3CCCO3)c2)c1 12337339 WZKFVRVBQPRUEX-NRFANRHFSA-N 363.436 4.218 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=S)N1c1ccccc1F 12415491 BAEOPDQVJBHQSO-LIRRHRJNSA-N 358.438 4.159 0 40 FIAB Cc1cccc(-n2c(SC[C@H]3CCOCO3)nnc2-c2ccccc2)c1 12515705 PUWWAIJAWWMBII-GOSISDBHSA-N 367.474 4.098 0 40 FIAB CN(C(=O)Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12540666 VIDBLEODDPTSRQ-KRWDZBQOSA-N 354.841 4.327 0 40 FIAB C[C@@H](NC(=O)CCCSc1nc2ccccc2s1)c1cccnc1 12549406 HLGGQPXELDQNCD-CYBMUJFWSA-N 357.504 4.441 0 40 FIAB O=C(Nc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1)C1CC1 12615732 PMZVMVXOJNODNP-UHFFFAOYSA-N 368.864 4.037 0 40 FIAB CC(=O)c1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1 12784012 HFTWUJMZWYCUKE-UHFFFAOYSA-N 366.442 4.485 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCc2ccccc21 12885064 ZJPCEHOOVWOSEC-SJCJKPOMSA-N 360.251 4.020 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(-c2ccccc2F)o1 12986411 UQKNYHGEEPTGGW-UHFFFAOYSA-N 366.392 4.071 0 40 FIAB CC(C)CC(=O)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 13611087 LWICAFFLOIGKPM-UHFFFAOYSA-N 360.417 4.367 0 40 FIAB COc1ccc(OC)c(NC(=O)CSCc2ccc(Cl)s2)c1 14094115 CRRZITANYWTNDO-UHFFFAOYSA-N 357.884 4.291 0 40 FIAB COc1cc(COc2cccc(C(C)=O)c2)c(OC)cc1Br 14315849 BBRQQIVJQXHOQA-UHFFFAOYSA-N 365.223 4.248 0 40 FIAB O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 14373244 OJDNMJBWEWXLJN-HNNXBMFYSA-N 364.832 4.485 0 40 FIAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 15581450 HJWXVSBCRNTEDK-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB COc1ccc(-c2cc3nc(C)cc(NC4CCCCC4)n3n2)cc1OC 15670890 JYORYDOQLNIPIH-UHFFFAOYSA-N 366.465 4.467 0 40 FIAB CCOc1ccc(C(=O)NCc2csc(-c3ccc(OC)cc3)n2)cc1 15832670 IJUQWHPQYNVTSU-UHFFFAOYSA-N 368.458 4.147 0 40 FIAB O=C(NCCSC1CCCCC1)C1CCN(Cc2ccccc2)CC1 16606685 NVDKZACPKFAGMP-UHFFFAOYSA-N 360.567 4.081 0 40 FIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@H]1COc2ccccc2C1 16709850 CQBYJFSFOQUTKH-CZUORRHYSA-N 359.878 4.244 0 40 FIAB Cc1ccc(-c2nnc(CNC(=O)c3ccc(Cl)c(Cl)c3)o2)s1 19217924 SHEJYGGFIUPPDK-UHFFFAOYSA-N 368.245 4.343 0 40 FIAB Cc1cccc(CSCCNC(=O)CSCc2ccc(F)cc2)c1 20106536 LCVIHZRPJYRGDQ-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(OC)c(Cl)cc1OC 20455520 WUTKXFGPYUJFNV-MRXNPFEDSA-N 363.841 4.462 0 40 FIAB COc1ccc(-c2cs/c(=N\c3cccc(C)c3C)n2CCO)cc1 22855453 GSZXVJNBOJHSBH-MRCUWXFGSA-N 354.475 4.067 0 40 FIAB O=C(Nc1cnc2ccccc2c1)C1CCN(c2nc3ccccc3o2)CC1 23353607 KZOHGVVJUNPMSD-UHFFFAOYSA-N 372.428 4.231 0 40 FIAB CC[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(F)cc1 23819714 LBMXOLJBYVRYQE-HNNXBMFYSA-N 356.426 4.120 0 40 FIAB C[C@H](NC(=O)CNc1ccccc1OC(F)(F)F)c1ccc(F)cc1F 24226588 KJKRFYKVDJEEBC-JTQLQIEISA-N 374.309 4.153 0 40 FIAB CCCCN(C)C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 25614762 NRSKVORETHRWRT-UHFFFAOYSA-N 358.442 4.007 0 40 FIAB CNc1snc(C)c1C(=O)N1CCC(c2nc3ccccc3s2)CC1 27409221 GYRKAPCVYPKEOP-UHFFFAOYSA-N 372.519 4.123 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 31334816 FMWJYOYZUBNVRI-HOCLYGCPSA-N 374.868 4.005 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCCc1ccccn1 32657583 ITUIFMZABASCOG-PKNBQFBNSA-N 352.434 4.321 0 40 FIAB COc1ccc(OCCCC(=O)N(C)C2C3CC4CC(C3)CC2C4)cc1 32809910 XPDNXXSUPQTING-UHFFFAOYSA-N 357.494 4.137 0 40 FIAB CC[C@@H](CNC(=O)c1cnn(-c2ccccn2)c1C(C)C)c1ccccc1 32911722 RMPZULFITKBICY-KRWDZBQOSA-N 362.477 4.314 0 40 FIAB CCc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1 35672152 ZXZUIXIDFIBAOL-UHFFFAOYSA-N 365.433 4.228 0 40 FIAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 36046374 GTIZUONOURJNBM-GRDNDAEWSA-N 370.522 4.181 0 40 FIAB CCOc1cc(Br)c(CNCc2ccccc2)cc1OC 36612617 IKTBZETWXWVTAQ-UHFFFAOYSA-N 350.256 4.146 0 40 FIAB Cc1ccccc1[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2 36620799 XTMROWRAHYKDOL-OAQYLSRUSA-N 355.503 4.400 0 40 FIAB CN(c1ccc(NC(=O)NCCc2cccnc2)cc1F)C1CCCCC1 48237505 KQHYTZQWIZMNSW-UHFFFAOYSA-N 370.472 4.354 0 40 FIAB Cn1cccc1CN(Cc1cccs1)C(=O)COc1ccc(Cl)cc1 49026677 MGRSOVBHACPNFD-UHFFFAOYSA-N 374.893 4.348 0 40 FIAB Cc1cc(/C=C/C(=O)NCc2nc(C3CC3)no2)c(C)n1C1CCCCC1 55706014 UACPTFLNNJGBEJ-ZHACJKMWSA-N 368.481 4.200 0 40 FIAB Cc1cc(C)c2cc3c(nc2c1)OCC(=O)N(Cc1ccc(Cl)cc1)C3 57709591 UBFBLGDZZGIZHP-UHFFFAOYSA-N 366.848 4.426 0 40 FIAB Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2Cl)N(C)C)cc1 58150824 BTFFEXHSZJUEDP-SFHVURJKSA-N 365.304 4.263 0 40 FIAB CC1CCN(c2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)CC1 67262652 XDUWAAQUNFGYGU-UHFFFAOYSA-N 361.424 4.320 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(F)c1F)SCC(O)=N2 79484211 ALJMCFDJMLKESS-QGZVFWFLSA-N 372.400 4.278 0 40 FIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CCCSCC3)cn2)c1 84146365 WERNZZMNVGQTLP-UHFFFAOYSA-N 371.506 4.139 0 40 FIAB O=C(Nc1ccccc1OC1CCCC1)[C@H]1CC(c2ccccc2)=NO1 84525288 JUHOFVUDHSSDOB-HXUWFJFHSA-N 350.418 4.140 0 40 FIAB COc1cccc(-c2nc(C(=O)N(Cc3ccccc3)C3CC3)c(C)[nH]2)c1 89547887 ULMYILJJXCCNDR-UHFFFAOYSA-N 361.445 4.199 0 40 FIAB CCN(CC)c1ccccc1COC(=O)Cc1cc(C(C)=O)ccc1OC 95385713 UEYMNLIKDRTIIQ-UHFFFAOYSA-N 369.461 4.030 0 40 FIAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102063869 PLPZTDRTPINXDC-HZPDHXFCSA-N 365.816 4.027 0 40 FIAB COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)cs2)cc1 170509799 XYKTUGAMQYRIES-UHFFFAOYSA-N 366.442 4.420 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)cc1 222872375 JKKPITZNUDIYGS-LJQANCHMSA-N 355.434 4.222 0 40 FIAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222915392 KUHNEDMSMLNEDG-OALUTQOASA-N 356.539 4.148 0 40 FIAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)c(Cl)c1Cl 223852493 XXACTVXEPNFFKJ-LLVKDONJSA-N 374.289 4.084 0 40 FIAB C[C@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 224177898 VQTXKDRRFJOHRU-GFCCVEGCSA-N 358.290 4.217 0 40 FIAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)Cc1ccc(F)cc1 224340654 UKMHUVDEMDROOT-UHFFFAOYSA-N 351.381 4.206 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCc1cccc(CN2CCCC2)c1 224625204 STKKJAFJQXXJTQ-UHFFFAOYSA-N 374.484 4.374 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NCC(C)C 224702013 YPUXOIAUPSWZRJ-QGZVFWFLSA-N 352.906 4.020 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccccc2)s1 225351381 GOBOLHUFYQTWJV-AWEZNQCLSA-N 357.410 4.140 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2nnc(SCC(C)C)s2)cc1 225647452 QZRWAQSOGOLJLP-UHFFFAOYSA-N 365.524 4.392 0 40 FIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225845903 SLOYUIIBBXLCGX-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB CN1C(=O)N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409191855 OVPBQTVIVGQHEW-XYOKQWHBSA-N 350.852 4.075 0 40 FIAB O=C(Nc1c(F)cccc1NC1CC1)c1ccc(O[C@H]2CC2(F)F)cc1 528730862 VCIZWJJUOIEPGS-INIZCTEOSA-N 362.351 4.439 0 40 FIAB O=C(O)c1cccc(Cl)c1CN1CCC(C(=O)c2ccccc2)CC1 574643928 DHEFTNPNNQIFMP-UHFFFAOYSA-N 357.837 4.133 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3cnc(C)c(C)c3)cs2)cc1OC 1536899626 SFSSXYLYYLFREE-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB Cc1ccc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)c2c1CCC2 1588138818 AKRUPFPOEDDDNG-UHFFFAOYSA-N 353.372 4.404 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CC[C@@H](C)C2 687053 QLVQWDGGSURBJR-GFCCVEGCSA-N 373.474 4.311 0 40 FIAB CCCc1nc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc2n1 1342801 INPACPAHCZQNKM-GJZGRUSLSA-N 357.523 4.179 0 40 FIAB CC[C@@]1(Br)C(=O)C(C)(C)C(=O)O[C@@H]1c1ccc(Cl)cc1 2294244 NNPNNSVEUUORNH-ABAIWWIYSA-N 359.647 4.077 0 40 FIAB Cc1ccc(OCc2n[nH]c(SCC(=O)c3cc(C)ccc3C)n2)cc1 2634174 GWBSXMOFQGTWOZ-UHFFFAOYSA-N 367.474 4.284 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(C)c2)cc1C 2639128 ZJGGBBQIKCATDD-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB Cc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccccc2n1 2639473 VUMIWXZBPKOSPY-UHFFFAOYSA-N 359.473 4.122 0 40 FIAB Cn1c(SCc2c(F)cccc2Cl)nc2c([nH]c3ccccc32)c1=O 2720611 NQMWGCYMSOYVRU-UHFFFAOYSA-N 373.840 4.500 0 40 FIAB COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=S)N1c1ccc(Cl)cc1 2963329 JKQJMBAFRCQFQD-KSSFIOAISA-N 360.866 4.283 0 40 FIAB O=c1ccc(-c2nc3ccccc3n2Cc2cccc(C(F)(F)F)c2)c[nH]1 3051068 SUPDAQFOSRWPPP-UHFFFAOYSA-N 369.346 4.459 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CSc1ncnc2ccccc12 3280591 DITHTLXHBFUNDO-UHFFFAOYSA-N 373.865 4.331 0 40 FIAB COc1cc(CC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1OC 3556491 XWSXTSDNQFWYJL-UHFFFAOYSA-N 363.841 4.164 0 40 FIAB Cc1c(C(=O)C(=O)N2c3ccc(F)cc3CC[C@@H]2C)c2ccccc2n1C 4062590 YQIPTDQYKBLKLW-ZDUSSCGKSA-N 364.420 4.176 0 40 FIAB O=C(O)CCCc1c(Br)[nH]c2cc(Br)ccc12 4532565 HKLILNGKZVGNPE-UHFFFAOYSA-N 361.033 4.100 0 40 FIAB CCCc1cc(=O)oc2cc(O[C@@H](C(=O)OC)c3ccccc3)ccc12 4747462 IDYQRTRHYWQKKY-HXUWFJFHSA-N 352.386 4.039 0 40 FIAB biogenic,in-vitro O=C(Nc1cc(Cl)ccc1Cl)c1cccn(Cc2ccccc2)c1=O 4940265 RIFVXBMQIPVALY-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CNC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2 5055478 LNGSHXOTBJEJHP-UHFFFAOYSA-N 364.470 4.392 0 40 FIAB COc1ccccc1C(=O)NCCn1c2ccccc2c2c(C)cc(C)nc21 5274359 XHCFOUUDEMUISA-UHFFFAOYSA-N 373.456 4.245 0 40 FIAB COc1ccc(NC(=O)Cc2cccc3ccccc23)cc1N1CCCC1=O 5440958 RAALVGXUKXOPCM-UHFFFAOYSA-N 374.440 4.156 0 40 FIAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCc1ccccc1 6079239 AKHXWASNNXCLDP-UHFFFAOYSA-N 359.425 4.316 0 40 FIAB Cc1ccc(-c2nc(C(=O)N3CCOCC3)cc3c2[nH]c2ccccc23)cc1 6087992 PZLCIJBEAYJXRF-UHFFFAOYSA-N 371.440 4.164 0 40 FIAB biogenic C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)N[C@H]1CCCc2ccccc21 6507700 PVQRLETUPWMEFU-KDOFPFPSSA-N 369.486 4.132 0 40 FIAB O=C(NCc1ccc(CNC(=O)Nc2ccccc2)cc1)Nc1ccccc1 6864352 BFFGSDXKTGURNH-UHFFFAOYSA-N 374.444 4.330 0 40 FIAB CCOc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCC2)cc1 6870357 XTQVNSZJWNPRIP-UHFFFAOYSA-N 354.425 4.496 0 40 FIAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1c(F)cccc1F 7180062 GQDRCOPILBEUQX-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c(C)c1 7382348 WAOFLGIJMOVVOL-HXUWFJFHSA-N 366.505 4.036 0 40 FIAB CSc1ncccc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 7786039 NHSUBVFIOZVSBW-SFHVURJKSA-N 372.490 4.092 0 40 FIAB Nc1c(C(=O)N2CCCC2)sc2nc(-c3ccco3)c3c(c12)CCCC3 8036217 IBPDZILBNGAISM-UHFFFAOYSA-N 367.474 4.253 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(C2CC2)nn1-c1ccccc1 8073029 ZMRLNYIZNQRCEQ-UHFFFAOYSA-N 370.456 4.204 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc3oc(C)nc3c2)cc1 8133892 JMVSGQFVDHJWJE-UHFFFAOYSA-N 352.390 4.137 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc2ccccc2n1 8290039 HRYWSFZDSUTDTB-UHFFFAOYSA-N 365.776 4.295 0 40 FIAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccnc1)CO3 8991600 FEERQKHGQHDRRA-UHFFFAOYSA-N 350.418 4.196 0 40 FIAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCCOC 9060116 QVFCJRLNMWMKLN-UHFFFAOYSA-N 368.481 4.423 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(Cl)cc4)c3C2)cc1 10338865 VULQKXMJZVWSKU-CQSZACIVSA-N 352.821 4.447 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c(C)c1 10842007 STNRSCQWRUHRLU-HNNXBMFYSA-N 351.450 4.091 0 40 FIAB S=c1n(CN(Cc2cccnc2)C2CC2)nc2sc3ccccc3n12 11246396 GSUHKXFMIZNSNW-UHFFFAOYSA-N 367.503 4.097 0 40 FIAB COc1ccc(OC)c(NC(=O)c2occc2COc2ccccc2)c1 11428069 ICNCLKXUJBQBHD-UHFFFAOYSA-N 353.374 4.128 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)no1 11512865 IDVHVGRKHUVLIK-UHFFFAOYSA-N 358.781 4.446 0 40 FIAB CCOc1ccccc1CN1C(=O)C(=O)c2ccc(Cl)c(Cl)c21 11692660 RLBAHDMTVKLZEY-UHFFFAOYSA-N 350.201 4.122 0 40 FIAB Cc1ccccc1-c1noc([C@@H](C)NC(=O)C2(c3ccccc3F)CC2)n1 12201122 LPUXWSFGNIWKDP-CQSZACIVSA-N 365.408 4.093 0 40 FIAB COC(=O)c1cc(Oc2ccnc3cc(Cl)ccc23)cc(C(=O)OC)c1 12595113 AAXPTILFFPNUIE-UHFFFAOYSA-N 371.776 4.254 0 40 FIAB C[C@H]1c2cccn2CCN1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 12735009 OCULDNVTDOUNRV-LBPRGKRZSA-N 362.355 4.134 0 40 FIAB O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 12752489 AVPPJUFHFRGZIN-GOSISDBHSA-N 374.469 4.459 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)C1C[C@@H]2CCC[C@H](C1)C2=O 13121413 DZJKLYFSTKNSLK-XYPWUTKMSA-N 355.459 4.249 0 40 FIAB CC(C)n1ncc2c(C(=O)NCC3(c4ccccc4)CC3)cc(C3CC3)nc21 14085356 KJCQKBIBDICBED-UHFFFAOYSA-N 374.488 4.351 0 40 FIAB COc1ccc(-c2nnc(SCc3ccc(-n4cccn4)cc3)o2)cc1 14139429 JAWINLLWYPYYLE-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB CN(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccc1 15628914 NAEDLIBQTOINEQ-OAQYLSRUSA-N 357.409 4.417 0 40 FIAB COCC(=O)N(Cc1cc2ccc(C)cc2nc1O)c1cc(C)ccc1C 15932395 MFJNXVSUBFJCGE-UHFFFAOYSA-N 364.445 4.045 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc3cccc(OC)c3o2)c1 19887891 BGQFRPDMRYIMRU-UHFFFAOYSA-N 359.765 4.134 0 40 FIAB O=S(=O)(Nc1ccccc1OC(F)F)c1cc(Cl)sc1Cl 20627407 FROIMVCLTWMELC-UHFFFAOYSA-N 374.217 4.457 0 40 FIAB O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(Cc2ccncc2)CO1 20720620 XAILZQHDPYEASI-UHFFFAOYSA-N 364.445 4.102 0 40 FIAB Cc1cccc(-c2nc3c4c(C)c(C)n(-c5cc(C)ccn5)c4ncn3n2)c1 21801623 KTNUHNSUHJFKEV-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB Cc1nc(-c2cc(C)n(CC(=O)N3CCc4sccc4C3)c2C)cs1 22530071 LENYIYKWGOFDDW-UHFFFAOYSA-N 371.531 4.183 0 40 FIAB O=C(CN1CCSc2ccccc21)N1CCS[C@@H]1c1ccccc1F 24924261 PJVBUNNMTGOTQB-LJQANCHMSA-N 374.506 4.012 0 40 FIAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(F)ccc1F 28869425 YXVMJSMANDJQMP-UHFFFAOYSA-N 365.792 4.378 0 40 FIAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 30652596 ALWZCWKSKGKFDA-KQEJXAOYSA-N 360.432 4.215 0 40 FIAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)NCCc1ccccc1 31553407 GIBIZZOSQRFDCZ-UHFFFAOYSA-N 371.278 4.140 0 40 FIAB CC(=O)NCCCCCC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32475513 FTPJGQCTCHJTHL-OAQYLSRUSA-N 372.896 4.242 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)c1C 32623294 GPALEAOEFVHBNA-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 33005348 LHFPLKCDDDZPJN-SNVBAGLBSA-N 369.845 4.109 0 40 FIAB CCOC(=O)c1c(NCCc2ccccc2)c2ccc(Cl)cc2[nH]c1=O 33256886 JYKMGKXCKXZRAX-UHFFFAOYSA-N 370.836 4.013 0 40 FIAB Cc1noc(-c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3C)cc2)n1 40050198 XLMCYJJYOOWKHO-UHFFFAOYSA-N 362.433 4.206 0 40 FIAB CC(C)CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C(N)=O)cc1 40074592 CFACIBGFXNVHMZ-UHFFFAOYSA-N 360.841 4.116 0 40 FIAB O=C(Cc1cccs1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 40145789 HAFMPLFBJARGKH-UHFFFAOYSA-N 367.426 4.237 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccccc1Cl 44900334 HCVHECIHEGLBBV-IBGZPJMESA-N 361.869 4.255 0 40 FIAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2OC(F)F)c1 55901470 XMMSZGUSWDMGEZ-UHFFFAOYSA-N 354.740 4.152 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 58003687 UGMFNRFXYUFSQP-IBGZPJMESA-N 368.433 4.241 0 40 FIAB Cc1cc(NC(=O)c2csc(-c3ccco3)n2)n(-c2ccc(F)cc2)n1 58162276 VMTUGADXXRJVOG-UHFFFAOYSA-N 368.393 4.289 0 40 FIAB CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1)n1cnc2cc(F)c(F)cc21 58174753 GIXNXNNKZGZJBU-BFUOFWGJSA-N 357.404 4.389 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)N(C)Cc1csc2ccccc12 63068244 OZKXLVHQLAXUCB-LBPRGKRZSA-N 356.495 4.154 0 40 FIAB CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(Br)cc1 71624669 MGQIVBAHMOCRQB-UHFFFAOYSA-N 360.298 4.328 0 40 FIAB COc1ccccc1C1(c2nnc(-c3cccc(C)c3)o2)CCOCC1 71889912 LJWZWTBZSWWCIA-UHFFFAOYSA-N 350.418 4.150 0 40 FIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72379067 BAHRSIPDOSGRBL-LJQANCHMSA-N 361.493 4.165 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)NCCn1ccc2ccccc21 72400527 JRGDFCBXUUVEST-UHFFFAOYSA-N 361.470 4.124 0 40 FIAB COc1ccc(CCNC(=O)Cc2cn(C(C)C)c3ccccc23)cc1 79188621 MWXHYMWIZIXTBE-UHFFFAOYSA-N 350.462 4.132 0 40 FIAB biogenic Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 84025359 YMPCRJWOKRSZMV-HXUWFJFHSA-N 365.433 4.176 0 40 FIAB O=C(Nc1ccccc1OCc1cscn1)c1ccc2c(n1)CCCC2 89814310 WMZRYCWMMLJHMU-UHFFFAOYSA-N 365.458 4.248 0 40 FIAB COc1cccc(N[C@H]2COC3(CCN(Cc4ccc(F)cc4)CC3)C2)c1 96221408 JZLPMCQDUSRRMU-HXUWFJFHSA-N 370.468 4.070 0 40 FIAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102063863 PLPZTDRTPINXDC-IYBDPMFKSA-N 365.816 4.027 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102324753 FJMSYYOGRQLFID-DYWXZXKOSA-N 357.885 4.389 0 40 FIAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)c1cc2ccccc2o1 206683875 VMEXSAUXANMORK-SFHVURJKSA-N 353.399 4.099 0 40 FIAB C[C@@H](NC(=O)c1cnc(-c2cccc(F)c2)nc1)c1ccc(Cl)cc1 222626850 UBCUNKUJMCKYQD-GFCCVEGCSA-N 355.800 4.427 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1C 223500997 VFBBYACCDJCTBG-QGZVFWFLSA-N 361.507 4.277 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(OC)c(C)c1 224630093 CQPXWPVUWRZGMU-KRWDZBQOSA-N 367.898 4.228 0 40 FIAB CN(C)CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225402167 CUQUHXRYJZWZFY-UHFFFAOYSA-N 359.564 4.217 0 40 FIAB O=C(CCc1c(F)cccc1Cl)NCc1ccc(-c2cccnc2)nc1 225764776 UJCOVKCYJUFVCX-UHFFFAOYSA-N 369.827 4.185 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2cccc(F)c2)cc1Cl 225837333 XYNNAVADKPWBQY-UHFFFAOYSA-N 366.845 4.142 0 40 FIAB O=C(CC1CCCC1)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 257232381 GKRBHYGOZIDQDT-QAQDUYKDSA-N 368.481 4.102 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)N1CCCC[C@H]1c1nccn1CC)C(F)(F)F 334086893 KXLNQMDRYYMPKP-MELADBBJSA-N 360.424 4.117 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 408628911 XYHCAHHIARXGKH-UHFFFAOYSA-N 371.437 4.493 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSc1ccc(C)cc1 408703345 PVALIYYWYYOPAO-LJQANCHMSA-N 359.491 4.070 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408706735 CWEOFKYYAIUPDS-MBNYWOFBSA-N 369.292 4.041 0 40 FIAB Cc1ccoc1CN(C)C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1 553942087 GPKMZEIIPPHRGQ-UHFFFAOYSA-N 353.422 4.031 0 40 FIAB Cc1cc(Oc2ccccc2)ccc1C(=O)NCC(O)(C1CC1)C1CC1 1632889763 JQTVSNWYJPDNMB-UHFFFAOYSA-N 351.446 4.068 0 40 FIAB CC(C)Cc1ccc(C(=O)CCC(=O)Nc2cccc3nccnc23)cc1 1643970931 SQINQNJBEMSQPF-UHFFFAOYSA-N 361.445 4.430 0 40 FIAB FC(F)(F)c1ccc2c(N3CC(COc4cccnc4)C3)ccnc2c1 2298227079 NFOZFQLFMXHPFL-UHFFFAOYSA-N 359.351 4.164 0 40 FIAB CCc1nc(-n2nnc3cc(C)c(C)cc32)c2c3c(sc2n1)CCCC3 719323 YIOMLVGVMQNPSG-UHFFFAOYSA-N 363.490 4.483 0 40 FIAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccccc1C(F)(F)F 856760 DCVQGQKXPGMQTG-UHFFFAOYSA-N 351.353 4.313 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccccc2)OC1=O 859701 CBZXEPIGHIEVPX-ATVHPVEESA-N 363.804 4.179 0 40 FIAB CCOC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1 1448073 UQLWFMUCNWPHHW-UHFFFAOYSA-N 354.358 4.312 0 40 FIAB biogenic CC(=O)Nc1cccc(Oc2nc(-c3ccccn3)nc3ccccc23)c1 2247059 KVIZOTQMWXNPLW-UHFFFAOYSA-N 356.385 4.443 0 40 FIAB COc1ccc(OC)c(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1 2313137 YAQLSTQAHNQEPC-UYRXBGFRSA-N 359.381 4.202 0 40 FIAB CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cccc(C)c3nc21 2398245 DBBXNEDRVKCUHO-UHFFFAOYSA-N 374.444 4.103 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(C)c1C)C(C)C 2627414 HJSVMZYZAHAHGF-FQEVSTJZSA-N 368.477 4.095 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2642509 ZFZUADBADSZITD-YGRLFVJLSA-N 368.264 4.010 0 40 FIAB O=C1N[C@H](c2ccc(Br)cc2)Nc2sc3c(c21)CCCC3 3155090 AYAGPFCUPCAMCP-AWEZNQCLSA-N 363.280 4.244 0 40 FIAB COc1cccc(CN(C)CC(=O)Nc2c(Cl)ccc(C)c2Cl)c1 3539845 UYPCIDLCWLWFCV-UHFFFAOYSA-N 367.276 4.381 0 40 FIAB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2F)c(C)n1Cc1ccco1 3542639 XWDJRUAKAMIMCV-UHFFFAOYSA-N 373.355 4.064 0 40 FIAB C[C@H](Sc1nnc2[nH]c3ccccc3n12)C(=O)c1c[nH]c2ccccc12 4266839 KVOSACKPCYKBMB-NSHDSACASA-N 361.430 4.055 0 40 FIAB O=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccc(Cl)cc1 4355478 FCHCRDZACNVRSX-UHFFFAOYSA-N 369.877 4.206 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(Br)o1 4714091 FRLXDIIRACPUNK-XFFZJAGNSA-N 352.571 4.040 0 40 FIAB COc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)O)cc1 5023173 ZXAXUWKOEDRRQN-UHFFFAOYSA-N 358.394 4.329 0 40 FIAB Cc1ccc(-c2nc3c4cnn(-c5cccc(Cl)c5)c4ncn3n2)cc1 5156782 HBWVUOZOZIQVOA-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 5434437 HROBKIGWGPCEDS-KOORYGTMSA-N 370.489 4.185 0 40 FIAB CC(=O)c1ccc(OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 5654201 MMOABOWMSHGKPK-CQSZACIVSA-N 355.459 4.186 0 40 FIAB Cc1ccc2sc(NC(=O)c3cc4ccccc4oc3=O)nc2c1C 6478541 JJVZHRREAWYPHU-UHFFFAOYSA-N 350.399 4.272 0 40 FIAB CC(=O)Nc1nc(CN2CCC(c3nc4ccccc4s3)CC2)cs1 6604859 QFMQRKGTYKATLX-UHFFFAOYSA-N 372.519 4.091 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1 6852958 RVZNLXQEUNJZCW-BMIGLBTASA-N 355.290 4.402 0 40 FIAB CSCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6983573 OQTDEPNPUWQNKU-HNNXBMFYSA-N 358.894 4.432 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2c(Cl)cccc2Cl)[C@@H]1C 6995428 FSGGEQHZDBWFNL-GYSYKLTISA-N 358.265 4.091 0 40 FIAB Cc1sc2ncnc(S[C@H](C(=O)NC3CC3)c3ccccc3)c2c1C 7085521 KYLIVLBSFIBCHC-INIZCTEOSA-N 369.515 4.420 0 40 FIAB O=C(COC(=O)c1sc2ccccc2c1Cl)c1ccc2c(c1)OCO2 7652811 WUACCYURFVJMCK-UHFFFAOYSA-N 374.801 4.323 0 40 FIAB Cc1cc(/C=C/C(=O)N(C)Cc2ccco2)c(C)n1-c1ccnn1C(C)C 8072998 LLWOFUCXTLAYNH-CMDGGOBGSA-N 366.465 4.136 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NCCC1=CCCCC1 8746444 KLBJVFLIALQEQD-SFHVURJKSA-N 355.526 4.484 0 40 FIAB CC(=O)c1ccccc1OCCSc1nnc(C)n1Cc1ccccc1 9366298 HPXNTNRPDHZXMW-UHFFFAOYSA-N 367.474 4.009 0 40 FIAB Cc1ccccc1CNC(=O)c1sc(NC(=O)c2ccco2)cc1C 10030019 GVXYHRDXUDBYOS-UHFFFAOYSA-N 354.431 4.140 0 40 FIAB COc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 10292383 UBPYMWZAEPZGGO-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB Cc1ccccc1COC(=O)c1nccnc1-c1nc2ccccc2s1 11188837 CCFRGQCJKNJAOO-UHFFFAOYSA-N 361.426 4.419 0 40 FIAB CC(=O)COc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl 11765773 IAZBAYJIWRONSM-UHFFFAOYSA-N 356.805 4.313 0 40 FIAB COc1cc(NC(=O)c2ncoc2-c2cccs2)c(OC)cc1Cl 12327610 RRCZDWDBBNZEEY-UHFFFAOYSA-N 364.810 4.326 0 40 FIAB COC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 12751312 BQDAVTVFYQQQKI-UHFFFAOYSA-N 361.376 4.072 0 40 FIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 12916603 BZYSVNBLTKGNHJ-GFCCVEGCSA-N 351.324 4.314 0 40 FIAB COC(=O)c1ccc(NCc2cc3ccc(OC)cc3nc2Cl)cc1 14898088 GVPZNPDYCWVRLV-UHFFFAOYSA-N 356.809 4.296 0 40 FIAB CCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1OCC 15082680 RVVRPWUEYZPBHQ-UHFFFAOYSA-N 359.422 4.144 0 40 FIAB O=C(Cc1noc2ccccc12)Oc1ccc(NC(=O)c2ccccc2)cc1 15602790 NDWDEJZWCSRTOF-UHFFFAOYSA-N 372.380 4.228 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)N2CCc3ccccc32)cc1C(C)C 16780500 DLFMCHQOAJWVEW-UHFFFAOYSA-N 359.491 4.269 0 40 FIAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)[C@@H]1CC12CCC2 19589054 LGMOWCJYBLJESE-BURNTYAHSA-N 352.522 4.046 0 40 FIAB Cc1cc(C)cc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 19911365 OZUXJOGQQONLLJ-UHFFFAOYSA-N 372.375 4.046 0 40 FIAB CCCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C(C)(C)C 19943783 MAIZDIBOKZNMRL-UHFFFAOYSA-N 364.511 4.213 0 40 FIAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc2ccccc12 21461791 SZJDVTURMXUISA-CQSZACIVSA-N 366.490 4.277 0 40 FIAB Cc1ccccc1-c1nc(NC(=O)[C@H](C)Oc2cccc(C)c2C)no1 21806668 RYIFOAJEOYRXDI-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1Cl 22519339 HPJXTOBEHWBQRE-IZZDOVSWSA-N 359.809 4.177 0 40 FIAB CC(C)c1cccc(N2C[C@H](C(=O)N[C@@H](C)c3cccs3)CC2=O)c1 23016397 NHHLHTJKNONAOC-GOEBONIOSA-N 356.491 4.102 0 40 FIAB C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 26160104 DHCGTSAVQOKATA-JTQLQIEISA-N 359.294 4.240 0 40 FIAB C[C@@H](Nc1ccc(Br)cc1)C(=O)Nc1cccc2ncccc12 26587874 CXTYLFDNPVBLSN-GFCCVEGCSA-N 370.250 4.436 0 40 FIAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 27793114 DNQBOPKQVGXJSG-NRFANRHFSA-N 366.505 4.351 0 40 FIAB Cn1ncc2c1CCC[C@@H]2NCc1ccc(OCc2cccc(F)c2)cc1 30908856 YDAIRDCLMAMNNQ-NRFANRHFSA-N 365.452 4.305 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Br)c1C 32753727 JLNVWYZNWLJALE-UHFFFAOYSA-N 365.202 4.107 0 40 FIAB CC[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1 32882962 HTIRRWRFQNVELI-QGZVFWFLSA-N 374.868 4.053 0 40 FIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccncc1 32900332 RMVBNZDSVBPCGH-INIZCTEOSA-N 359.429 4.167 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289594 JIMSXPDCJXNJHU-INIZCTEOSA-N 361.804 4.114 0 40 FIAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccc(F)cc1 35476456 SQNCYLPTQYZUTC-HXUWFJFHSA-N 359.466 4.230 0 40 FIAB Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCCCC2)OCO4)cc1 36370360 BAFJJQDERQMYFY-UHFFFAOYSA-N 374.440 4.493 0 40 FIAB Cc1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1-n1cccc1 40115048 KAHLYVIDVUCUMH-UHFFFAOYSA-N 373.456 4.064 0 40 FIAB C[C@@H](NC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccc(Cl)c1 43874970 NEIHQEZQQCPDAV-GFCCVEGCSA-N 357.841 4.115 0 40 FIAB CCn1nc(C)c(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1C 44891009 UMGVFBFTGOVBJB-UHFFFAOYSA-N 358.858 4.006 0 40 FIAB CC[C@H](C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1ccccc1 46610072 SRZMQLCMHLHTPM-INIZCTEOSA-N 356.853 4.365 0 40 FIAB CCOC(=O)c1c(NCc2ccc(Cl)cc2)c2cc(F)ccc2[nH]c1=O 49001409 UTIKDAOAWAXUSX-UHFFFAOYSA-N 374.799 4.109 0 40 FIAB CCn1nnc2cc(C(=O)OCc3c(Cl)ccc4cccnc34)ccc21 58641467 MKVGCVABSDVTMP-UHFFFAOYSA-N 366.808 4.010 0 40 FIAB C[C@H](CNC(=O)c1cc2sc3ccccc3c2s1)CN1CCCC1=O 65521270 XNTCXCQPVYPWGU-GFCCVEGCSA-N 372.515 4.104 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349079 SGZFIEAQHRCIRP-GOSISDBHSA-N 361.420 4.303 0 40 FIAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1F 84678371 AVJYSVBYARMUFI-XOBRGWDASA-N 367.376 4.180 0 40 FIAB CCOc1ccc(-c2nc(N3CCCCC3)sc2CC(=O)O)c(C)c1 95097214 QIEVAYCHECDVBC-UHFFFAOYSA-N 360.479 4.135 0 40 FIAB Cn1cnnc1Sc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 95348578 XMXXCANQJBOZJC-UHFFFAOYSA-N 368.506 4.121 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1cc3c(Cl)cccc3[nH]1)CC2 96115897 WWFPVDTUCBICIN-UHFFFAOYSA-N 370.836 4.037 0 40 FIAB biogenic CN1[C@@H]2CC[C@@H]1CC(N(CCc1ccccc1)C(=O)c1ccc(F)cc1)C2 100393864 PWLIDMDJUDGSGJ-NHCUHLMSSA-N 366.480 4.136 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C(C)(C)C)cc3)CC2=O)c1 103718604 MQRPCPIHSCCXEY-MRXNPFEDSA-N 350.462 4.284 0 40 FIAB Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@H]1c1cnn(C)c1 112470302 JCOHZXDNNCJJMZ-PMACEKPBSA-N 354.498 4.362 0 40 FIAB COC(=O)N(O)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1 196850583 GYSCXYJNCCOQOU-UHFFFAOYSA-N 373.796 4.067 0 40 FIAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222914115 ICDMRHAUGZVGNE-ROUUACIJSA-N 356.539 4.267 0 40 FIAB C[C@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)CCC2 223204885 QXGQJCPFCFNJEV-ZDUSSCGKSA-N 374.278 4.194 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccco1 223472712 UMRXQGURXGOZOQ-FQEVSTJZSA-N 373.518 4.365 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)c1 226267400 SVMVRZCWILWTME-OAHLLOKOSA-N 353.466 4.299 0 40 FIAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(C(C)C)cc1 227146440 HKZYIIYQYNVMSQ-UHFFFAOYSA-N 363.255 4.416 0 40 FIAB NC(=O)COc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl 408613571 YDMCPLFIAWUTQC-UHFFFAOYSA-N 359.640 4.123 0 40 FIAB CCCCCNC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408677052 PQJGMDXEJYEVHK-UHFFFAOYSA-N 352.409 4.235 0 40 FIAB COc1ccccc1OCCSc1nc(N)c2c(C)c(C)sc2n1 614047021 YBOIYHFZLWNIQB-UHFFFAOYSA-N 361.492 4.070 0 40 FIAB CCc1nc(NC(=O)N[C@@H]2CCO[C@H]2c2cccnc2)sc1C(C)(C)C 623090999 JEBPDEORMOGPPL-CABCVRRESA-N 374.510 4.050 0 40 FIAB CCc1ccc(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)cc1 1187072345 FXJKKBLXWLSTTP-UHFFFAOYSA-N 358.290 4.175 0 40 FIAB Cc1cc(NC(=O)c2cnc(C)nc2-c2ccccc2)n([C@H](C)C2CC2)n1 1506414446 ZHDRDPGENRBAOR-CQSZACIVSA-N 361.449 4.180 0 40 FIAB CCc1cccc(C)c1NC(=O)c1cccc(I)c1 670282 MDONCOHWFCIQEI-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB Cc1sc2ncn([C@@H](C)C(=O)OC(C)C)c(=O)c2c1-c1ccc(F)cc1 807847 MDTDEGIIRAEALY-NSHDSACASA-N 374.437 4.085 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)c[nH]1 873681 KNDHDJHFAVJTIY-UHFFFAOYSA-N 373.865 4.470 0 40 FIAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1792271 XSADXHDMXBCFGP-UHFFFAOYSA-N 374.868 4.091 0 40 FIAB Cn1c(=O)c(NCc2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2 2503427 GNGIUVRUQIWHGU-UHFFFAOYSA-N 366.420 4.362 0 40 FIAB biogenic O=C(c1ccc(F)cc1)c1ccc(OCC(=O)c2ccccc2F)cc1 2624872 FIJGDKSRZCRLNE-UHFFFAOYSA-N 352.336 4.458 0 40 FIAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)o1 2637723 UBQPHCCDVJWMOA-LLVKDONJSA-N 355.312 4.099 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1 2796978 NTQHFWWXKOUKGB-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccccc1C(C)C 3225038 ALRZEENRCQXQEJ-OUKQBFOZSA-N 353.418 4.014 0 40 FIAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(F)cc1Cl 3247245 ZVIJBPNUURMXFG-UHFFFAOYSA-N 363.816 4.073 0 40 FIAB FC(F)(F)[C@H]1CCCN(c2nc(-c3cccnc3)nc3ccccc23)C1 3421296 ORPOAZNTIGGKQZ-AWEZNQCLSA-N 358.367 4.471 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccs1 3596443 INTAAPZMRXEZJQ-UHFFFAOYSA-N 358.492 4.066 0 40 FIAB COc1cc(NC(=O)Cc2ccccc2)ccc1NC(=O)c1cccs1 4487795 MGKCIUDVEGYICC-UHFFFAOYSA-N 366.442 4.190 0 40 FIAB COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(OC)c1O 4704953 YAIMBAXPEUOFKR-UHFFFAOYSA-N 371.502 4.040 0 40 FIAB Cc1cccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)c1 5561411 LWURLRWCYLHVRH-UHFFFAOYSA-N 359.385 4.235 0 40 FIAB C[C@H](Sc1nc2ccccc2o1)C(=O)N[C@H](C)CCc1ccccc1 6061001 BKBFQMNSRMCPKG-CABCVRRESA-N 354.475 4.446 0 40 FIAB COc1ccccc1OCCn1cc(C=O)c2cc(Br)ccc21 6298655 GDPWDRNEMOFHQN-UHFFFAOYSA-N 374.234 4.304 0 40 FIAB Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 6526958 WCUKARAFPSIBFX-VALILCMLSA-N 371.859 4.429 0 40 FIAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2cccc(C)c2)C1=O 6963818 NQVWAASNUGLUCP-BOPFTXTBSA-N 370.836 4.140 0 40 FIAB C[C@H]1CCc2c(sc3nc([C@H](C)N4CCc5ccccc54)[nH]c(=O)c23)C1 7503669 XNAFKHQBGHZMBF-STQMWFEESA-N 365.502 4.233 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1ccc(-c2nccs2)cc1 7684341 SBYKDWXOSMHEIT-UHFFFAOYSA-N 354.431 4.226 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1 7829710 PKDDHMGPPQWBSI-LLVKDONJSA-N 366.280 4.035 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 7986258 ZHOAQXJGMCMWTG-LBPRGKRZSA-N 369.408 4.234 0 40 FIAB COc1ccc(-c2nc(C)[nH]c(=O)c2Cc2c(O)ccc3ccccc23)cc1 8648898 BZFCSMDHNNOZNK-UHFFFAOYSA-N 372.424 4.204 0 40 FIAB C[C@H](OC(=O)c1cccs1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 9415658 SSAWXOUBMNBACT-VIFPVBQESA-N 372.427 4.224 0 40 FIAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@H](C)c1ccc(F)cc1 9502663 BMNAODSPSODLIE-CHWSQXEVSA-N 371.437 4.234 0 40 FIAB C[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 10968107 VZEYFNHCEGBBAK-ODIFPOPNSA-N 365.539 4.120 0 40 FIAB Cc1c(CN(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)cnn1C 12186563 RWTBPYOHZVVBRI-UHFFFAOYSA-N 372.532 4.179 0 40 FIAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC[C@H](C)C1 12222786 DVGDXFFXDBSWTP-INIZCTEOSA-N 362.477 4.055 0 40 FIAB C[C@@H](CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 12602202 OHVLBXGUMGQNMZ-LBPRGKRZSA-N 365.260 4.242 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 12740560 OJNXNLBHDHFSKV-QZTJIDSGSA-N 368.521 4.218 0 40 FIAB CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)/C=C/c1ccccc1 13042457 ORQGPGCTZPFQHR-ZHACJKMWSA-N 370.396 4.184 0 40 FIAB O=c1nc(/C=C/C(Br)=C/c2ccccc2)[nH]c2ccccc12 13042901 YKWRQBZPSHYFNN-SEBJLUHNSA-N 353.219 4.372 0 40 FIAB COC(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 14248257 IPLIIUUGLJFBNO-OAHLLOKOSA-N 361.850 4.094 0 40 FIAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1csc(-c2ccccc2)n1 14250900 SLGOIKJBVWIFIU-YBEGLDIGSA-N 350.374 4.294 0 40 FIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCc1ccccc1 17121228 XKBABGQDMLXNNM-UHFFFAOYSA-N 356.429 4.276 0 40 FIAB CN(Cc1ccco1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 17703690 QHWFRNRCBGUNEP-UHFFFAOYSA-N 363.442 4.466 0 40 FIAB CCC(CC)C(=O)N1CC[C@H](c2nc(C3CC3)ncc2-c2ccncc2)C1 19500068 YZHLJSYXUALPBW-SFHVURJKSA-N 364.493 4.168 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2Cc2ncc[nH]2)n1 19692087 HDRYPNDPHSGRLH-HXUWFJFHSA-N 350.441 4.180 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2cccc(Nc3ncccn3)c2)c2ccccc2O1 19716372 GMLZCIIKYRKKQC-GOSISDBHSA-N 374.444 4.252 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 20029951 LQFJEHYFANDQQB-NSHDSACASA-N 374.289 4.432 0 40 FIAB CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1C(C)C 20034477 OCJKDWBODVHOOF-UHFFFAOYSA-N 363.874 4.417 0 40 FIAB CCc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20143899 VVUYJDFZWUBKNH-UHFFFAOYSA-N 365.429 4.327 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(C)c(C)c3)o2)c1 20196852 AEYLCLLDCNBTJY-UHFFFAOYSA-N 367.474 4.316 0 40 FIAB O=C(NC1CC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20738987 RTHDPLZROMAOIK-NRFANRHFSA-N 374.484 4.412 0 40 FIAB COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc(OC)c1Br 27256108 NDFWWGVIIVMRKB-AAEUAGOBSA-N 370.287 4.117 0 40 FIAB CC(C)c1noc(COC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 29136634 SSHISMSIYFLPLI-UHFFFAOYSA-N 354.431 4.377 0 40 FIAB COc1ccc(CCC(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1 29672003 FWAMVJNSIGMJKT-UHFFFAOYSA-N 353.393 4.343 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)c1csc(Br)c1 32470052 ZMMVSCSKZZMVST-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cccnc1Cl 32796294 IPBAYBIJMOHWIU-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB COc1ccccc1NC(=O)CSc1nc(C(C)C)nc2ccccc12 35290921 PUBSMRUMXBKKNO-UHFFFAOYSA-N 367.474 4.493 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)c1C 38753386 NROZZUVMIGEUIG-GOSISDBHSA-N 359.397 4.107 0 40 FIAB O=C(NCCSCc1ccco1)c1ccccc1C(=O)c1ccccc1 39969537 ORQSVAUUPKATFC-UHFFFAOYSA-N 365.454 4.174 0 40 FIAB CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 40104633 QQZKIOAXMYJQGB-UHFFFAOYSA-N 353.466 4.269 0 40 FIAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(F)c1 41076956 SLVBOXDZDXZJRS-UHFFFAOYSA-N 367.424 4.357 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1cccc2ccccc12)c1cccs1 45727712 MWSIBXVBWQKNOL-IFXJQAMLSA-N 366.486 4.346 0 40 FIAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1cc(F)cc(F)c1 51364513 OBIOIPISLCUCEJ-KRWDZBQOSA-N 366.367 4.123 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)c1nc(-c2cccs2)oc1C 58327719 LGLAPKCCHRBEHP-UHFFFAOYSA-N 366.402 4.322 0 40 FIAB CC(C)Cn1cc[nH]/c1=N\C(=O)c1ccc2noc(-c3ccccc3)c2c1 58424775 MWWPOQIXLVJBAW-UHFFFAOYSA-N 360.417 4.022 0 40 FIAB Brc1ccc([C@H]2CN(CCc3cccs3)CCO2)cc1 60333634 BIIHQSRUZZAUNK-MRXNPFEDSA-N 352.297 4.127 0 40 FIAB O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)c1ccccc1Cl 67206831 SYWNSHSDHMJCMO-UHFFFAOYSA-N 359.212 4.100 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Cl)c1Cl 69782096 TYMPORNDIXKRQK-UHFFFAOYSA-N 352.217 4.384 0 40 FIAB CC(=O)c1cn(CCC(=O)Nc2nc3c(s2)CCCC3)c2ccccc12 71285907 BCSIMUJIWDJVOI-UHFFFAOYSA-N 367.474 4.208 0 40 FIAB O=C(Cn1ccc2ccc(Cl)cc21)Nc1nc(-c2cccnc2)cs1 72016565 RLIXUACQZQUZSZ-UHFFFAOYSA-N 368.849 4.452 0 40 FIAB Cc1cccc(Nc2cncc([C@H]3CCCN3CCc3ccccc3)n2)n1 72376236 LYYIDLHWLJGYPX-HXUWFJFHSA-N 359.477 4.303 0 40 FIAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378562 IAQHMJJAGZTBAZ-NRFANRHFSA-N 374.488 4.262 0 40 FIAB CCCCN(CC)Cc1cccc(CNC(=O)c2cc(C3CC3)on2)c1 75110448 UZSITXQRPWRHNJ-UHFFFAOYSA-N 355.482 4.104 0 40 FIAB CCC1=NO[C@@H](c2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)[nH]2)C1 78807294 WMKZEZINDXNJTQ-CYBMUJFWSA-N 357.410 4.327 0 40 FIAB Cc1csc(SCC2CCN(C(=O)c3cc(C)oc3C)CC2)n1 90608119 VVHFISHYUNIYBO-UHFFFAOYSA-N 350.509 4.306 0 40 FIAB CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cc(F)c(F)c(F)c2)cc1 95441878 RGOIBUFJFZJTHQ-UHFFFAOYSA-N 373.378 4.345 0 40 FIAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCc1cccnc1)n2C 96146400 IBCQCHOQWJPRMM-UHFFFAOYSA-N 360.461 4.081 0 40 FIAB Fc1cccc(-c2nc3c(c(NC4CC4)n2)CN(Cc2ccco2)CC3)c1 96254226 TZRHZDVIBOOJHO-UHFFFAOYSA-N 364.424 4.008 0 40 FIAB Cc1cccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426886 UGUXVZQGHBHWNG-QZTJIDSGSA-N 373.566 4.240 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCc2ccccc2-n2ccnc2)c1 216352713 XLAFOYCKDAGQPK-UHFFFAOYSA-N 365.502 4.039 0 40 FIAB Cc1cc(C)c(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)c(Cl)c1 216806978 LIVSUPZUHDLUBI-UHFFFAOYSA-N 370.836 4.038 0 40 FIAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1ccc(C)cc1C)CCCC2 222894849 SRLDGXUHTQYWGN-MRXNPFEDSA-N 373.518 4.230 0 40 FIAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223198827 AFZPRAWHORWPGJ-INIZCTEOSA-N 353.462 4.220 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(F)cc2)cc(C)c1Cl 224139695 NXNYEYVSMPWSLU-AWEZNQCLSA-N 365.832 4.058 0 40 FIAB CCOc1ccc(NC(=O)CCc2ncc(-c3cccc(OC)c3)o2)cc1 224847001 VKBWNMBDPIOFGC-UHFFFAOYSA-N 366.417 4.320 0 40 FIAB COc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(OC)c1 225112154 UDPUQLWOGJRMNN-LJQANCHMSA-N 358.434 4.076 0 40 FIAB O=C(c1cccs1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225242815 JSRKNWHEOLJZEL-XNTDXEJSSA-N 373.434 4.125 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)CCc2ccccc2)c(C)c1 225515097 WBPRVONKIPRGSM-MRXNPFEDSA-N 370.518 4.479 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1Cl 225629884 DITUVYNXVOUDSQ-ZDUSSCGKSA-N 355.862 4.042 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)c1snnc1-c1ccccc1 225758636 GRKRAFRTOOCEMS-UHFFFAOYSA-N 364.257 4.442 0 40 FIAB COc1ccc(C2(NC(=S)Nc3cccc(C)n3)CCCC2)cc1OC 225873016 KAPUNHHMSNGYPV-UHFFFAOYSA-N 371.506 4.163 0 40 FIAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225962289 IFXJIDUEIYNWLG-MRXNPFEDSA-N 369.538 4.069 0 40 FIAB O=C([C@H]1CC=CCC1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831114 PRNHSOFYMAMDPG-AWEZNQCLSA-N 355.404 4.029 0 40 FIAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 408805308 GBIKTBYESSBHNK-UHFFFAOYSA-N 373.841 4.140 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409125674 JUFRMJDNHBPLRI-NBVRZTHBSA-N 353.443 4.364 0 40 FIAB CCc1cc(N2CCC[C@H](N[C@@H](C)c3ccc(OC)c(Cl)c3)C2)ncn1 536865853 XDMNFMBQRRFVFC-YOEHRIQHSA-N 374.916 4.021 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccccc1OCCN1CCCCC1)n1cccc1 575444453 AXSFHHLBFJIVLX-NRFANRHFSA-N 369.509 4.189 0 40 FIAB COc1ccc2c(c1)OCCN([C@H](C)c1ncc(-c3ccccc3)o1)C2 585080551 OYMXZCWAYPMGLR-OAHLLOKOSA-N 350.418 4.306 0 40 FIAB Cc1cn2c(n1)C[C@@H](c1nc(Cc3ccc(Cl)cc3Cl)no1)CC2 624419945 UGWJHLVSEGQZKH-LBPRGKRZSA-N 363.248 4.202 0 40 FIAB CCOc1ccccc1C(=O)Nc1cc(C)ccc1NC(=O)c1ccco1 693061 NQLKMUHSHJLVPR-UHFFFAOYSA-N 364.401 4.491 0 40 FIAB CCc1c(C)nc2sc(C(=O)c3ccc4c(c3)OCCO4)c(N)c2c1C 968914 HWKMUVZMPADOKP-UHFFFAOYSA-N 368.458 4.060 0 40 FIAB CCOCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 1745267 UFGAJPBMDFIUKQ-UHFFFAOYSA-N 369.461 4.430 0 40 FIAB CCN(CC)C(=O)COc1ccc(-c2nnc(Cl)c3ccccc23)cc1 2522302 STWXNZHWZQDOQE-UHFFFAOYSA-N 369.852 4.197 0 40 FIAB Cc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3nnnc3N2)cc1C 2919790 SZTHWKSEMKLMNT-HZPDHXFCSA-N 357.820 4.229 0 40 FIAB COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008115 FRQFPAYTUUTMFN-UHFFFAOYSA-N 369.421 4.019 0 40 FIAB FC(F)Oc1ccc(Cl)cc1CSc1nnnn1-c1ccccc1 3233825 ZYBZMBFPGAAABJ-UHFFFAOYSA-N 368.796 4.209 0 40 FIAB Cc1cc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc12 3505837 LMSFLJUUZMPJBA-CYBMUJFWSA-N 366.442 4.391 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C)c1ccccc1 3556796 PVHXFISNKOFGQR-HNNXBMFYSA-N 366.490 4.016 0 40 FIAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1 4295229 XYPXKWFKOLIOOE-UHFFFAOYSA-N 372.384 4.060 0 40 FIAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1Cl 4315635 ZHUQQDHLKPSDSS-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)OCCO3 4510504 KANISRLZZKFCNP-LLVKDONJSA-N 350.201 4.239 0 40 FIAB CCOc1ccc(-c2cnc(NCc3ccc(OC)cc3OC)n2C)cc1 4678735 PZBYBVJICGCXKT-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1C 4860852 OMVKEBRFJPGAEB-UHFFFAOYSA-N 370.478 4.238 0 40 FIAB Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1C 4971947 QNJKMONWKHVUFW-UHFFFAOYSA-N 364.836 4.150 0 40 FIAB COc1cc(OC)cc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 5497645 PGXMLOTYWCFRML-HNNXBMFYSA-N 365.429 4.113 0 40 FIAB Cc1ccc([C@@H]2[C@H](C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 5831624 KWYXQHAUBJOQFR-IERKJGKXSA-N 371.502 4.033 0 40 FIAB COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)c(C)cc1C 6534648 NQCBBRLNFWYCDJ-UHFFFAOYSA-N 367.474 4.176 0 40 FIAB CCCOc1c(Cl)cc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 7392149 LCDKTMDKSJSBDP-WJDWOHSUSA-N 371.820 4.482 0 40 FIAB COc1ccc(CN(C)Cc2c(C)nn(-c3ccccc3)c2Cl)cc1 7682705 KHBXVGBGXVKRSO-UHFFFAOYSA-N 355.869 4.475 0 40 FIAB COCc1c(C(=O)OCc2cc(Cl)c3c(c2)OCO3)oc2ccccc12 7742665 BJXXDLKHRCVEFA-UHFFFAOYSA-N 374.776 4.318 0 40 FIAB CSc1ccc(CN(C)C(=O)CN2CCc3sccc3[C@@H]2C)cc1 7878952 KPGXUXZSTDSMPY-AWEZNQCLSA-N 360.548 4.048 0 40 FIAB O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 7929389 UXINVLNAMKCDFX-MRXNPFEDSA-N 365.816 4.452 0 40 FIAB CC[C@H](Sc1nnc(C)n1-c1ccccc1C)C(=O)Nc1ccccc1 8777709 YCJJSIMLYZJIDQ-SFHVURJKSA-N 366.490 4.394 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 8869566 SOALHJPDOCSKCK-HXUWFJFHSA-N 373.880 4.235 0 40 FIAB CN(Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)C1CCCCC1 8937931 GZVPUHACPRCVSY-UHFFFAOYSA-N 364.902 4.208 0 40 FIAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCC(C(C)(C)C)CC1 9053974 MMMBNSYVIBLPNT-UHFFFAOYSA-N 369.509 4.124 0 40 FIAB COc1cc(NC(=S)Nc2ccccc2Cl)cc(OC)c1OC 9483553 VFLRUNSDGKTDTI-UHFFFAOYSA-N 352.843 4.175 0 40 FIAB COc1ccc(NC(=O)Nc2ccc(-c3cn4ccc(C)nc4n3)cc2)cc1 9572130 JQIWDUMJWWYZKI-UHFFFAOYSA-N 373.416 4.357 0 40 FIAB O=C(Cc1noc2ccccc12)Nc1ccc(-n2cnc3ccccc32)cc1 10428310 YQMWCZLKVNZWFC-UHFFFAOYSA-N 368.396 4.348 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 12884266 ROWZFVVXXXVBCO-UHFFFAOYSA-N 357.542 4.174 0 40 FIAB O=C(N[C@H](c1ccccc1)c1cccs1)c1cc2ccccc2[nH]c1=O 12887898 DZTRMXPVMJCMNY-LJQANCHMSA-N 360.438 4.109 0 40 FIAB CCCCc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1 12908577 REAWYLDKXITUAX-ZDUSSCGKSA-N 361.388 4.491 0 40 FIAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2ccccc2n1 12982427 QCCOJONGFACHCQ-UHFFFAOYSA-N 361.445 4.034 0 40 FIAB CCOc1ccccc1C(=O)N(CC)Cc1cc2ccccc2nc1O 13479891 KKVIOBGINOAEJB-UHFFFAOYSA-N 350.418 4.001 0 40 FIAB COc1ccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)cc1 13992589 VJGPORBCIGWQQZ-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)c(C)c1 14219426 GHZATGBAFRBAIS-LLVKDONJSA-N 374.325 4.167 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(OC(F)F)cc1 14241707 WNXNUKFQHHGBFZ-GOSISDBHSA-N 372.371 4.191 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1SC(F)F 14603256 FCJYXEBBKUESGY-UHFFFAOYSA-N 360.389 4.143 0 40 FIAB O=C(c1ccccc1)[C@H]1CN(C2CCCCC2)CC[C@@]1(O)c1ccccc1 14944125 LNTVSDPXHOIVLW-ISKFKSNPSA-N 363.501 4.412 0 40 FIAB CCOc1cccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 15832077 RBWLJFAYQZWTQZ-UHFFFAOYSA-N 350.418 4.246 0 40 FIAB O=C(CCc1csc2nc(-c3ccccc3)cn12)NC1CCCCC1 16848755 JBCJEQDFVXMSFC-UHFFFAOYSA-N 353.491 4.444 0 40 FIAB Cc1ccn2cc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)nc2c1 16963896 OHFBTSHYUQLRSM-NRFANRHFSA-N 373.481 4.492 0 40 FIAB O=C(Cc1noc2ccccc12)N[C@H](Cc1ccccc1)c1ccccc1 19206286 QMKUGJXMGNTNKE-HXUWFJFHSA-N 356.425 4.471 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC 20489793 BJOLKXPVSRXJRN-CHWSQXEVSA-N 363.841 4.002 0 40 FIAB Cc1ccccc1OCCN(C)C(=O)c1nc(-c2ccco2)sc1C 24775641 FWWVOCUCYYWQTR-UHFFFAOYSA-N 356.447 4.171 0 40 FIAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2ccccc2c1 24829061 YRECIRMGSWWUFU-OAHLLOKOSA-N 362.429 4.440 0 40 FIAB CCc1cccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 24835668 XRELZWJZUNCWEY-GOSISDBHSA-N 350.462 4.166 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1 27584803 DKTBMQUXYNRRRZ-IBGZPJMESA-N 372.534 4.492 0 40 FIAB COc1ccc2nc(NC(=O)c3cc(-c4ccccc4)on3)sc2c1 27664321 JASDAKGAQLYMJM-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCC1 30556659 NBOOKVMEVNKSLR-INIZCTEOSA-N 372.896 4.020 0 40 FIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 32609733 CJOUKQJSNGRKDC-RBUKOAKNSA-N 363.436 4.430 0 40 FIAB COc1ccc(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)cc1 32913224 YZOVJZLXKXGCFE-UHFFFAOYSA-N 370.449 4.314 0 40 FIAB Cc1ccc(C[C@H](C(=O)O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 35142029 HWPYXNZTJGFSAT-BBRMVZONSA-N 359.853 4.475 0 40 FIAB CCC(=O)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2nc1Cl 35290179 KSYGCMRQQJIRFC-UHFFFAOYSA-N 369.852 4.231 0 40 FIAB O=C(c1ccoc1)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 40051259 RQTZLRZKJFNNIN-UHFFFAOYSA-N 373.762 4.064 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(C(C)C)nc3c2)cc1OC 40267663 YWDJIZFGKZZWRH-UHFFFAOYSA-N 367.449 4.275 0 40 FIAB O[C@@H](CNC1CCCCC1)COCC(c1ccccc1)c1ccccc1 40373185 GTOZFTXRFQBFTC-QFIPXVFZSA-N 353.506 4.118 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCCC2)nc1 43735098 JILYCBSVZNECMY-AWEZNQCLSA-N 359.857 4.131 0 40 FIAB Cc1ccccc1[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 44883712 WEOARKPUNKCPCM-FGZHOGPDSA-N 359.425 4.041 0 40 FIAB Cc1ccccc1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44890854 CSIAWIBKUVEKBZ-GOSISDBHSA-N 350.447 4.308 0 40 FIAB Cc1cc2c(cc1C(=O)Nc1cccc(C(F)(F)F)c1)OCCCO2 46077768 NDQONEKZVFZVBV-UHFFFAOYSA-N 351.324 4.427 0 40 FIAB COCCN1C(=O)c2ccccc2N[C@@H]1c1csc(-c2ccsc2)n1 48355412 RIJRXSYEULVLNF-INIZCTEOSA-N 371.487 4.085 0 40 FIAB CCc1ccccc1Nc1c(C(=O)N2CCCC2)cnc2nc(C)ccc12 49004603 OIAKZFOPFHZVJT-UHFFFAOYSA-N 360.461 4.480 0 40 FIAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(F)(F)F 57316737 QISNBCURCWTTHA-UHFFFAOYSA-N 352.337 4.473 0 40 FIAB COc1ccc(OC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@H](C)O3 57719101 FVTCVWLMULDGRY-HNNXBMFYSA-N 364.445 4.035 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C)cc2)cc1Cl 72329314 QQGRIIKZGRCXSD-UHFFFAOYSA-N 369.852 4.367 0 40 FIAB c1ccc([C@@H]2c3ccccc3CCN2Cc2ccnc(N3CCCC3)n2)cc1 72348140 RAPYDNZZFKMBBL-HSZRJFAPSA-N 370.500 4.225 0 40 FIAB NC(=O)c1cccc(-c2cccc([C@H]3CCCN(Cc4ccccc4)C3)n2)c1 72348543 OYXNXWLHJOSDOS-NRFANRHFSA-N 371.484 4.227 0 40 FIAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CC2CCCC2)c1 72380335 NZPJPJUEZIOOBA-IBGZPJMESA-N 353.466 4.329 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3ccc4nc(C)sc4c3)c2c1 72402432 QVUBJYPGEQQNOM-UHFFFAOYSA-N 365.458 4.067 0 40 FIAB O=C(C1=Cc2ccccc2OC1)N(Cc1cccnc1)c1ccc(F)cc1 75120631 DJSXRSINLAYCGU-UHFFFAOYSA-N 360.388 4.230 0 40 FIAB O=C(/C=C/c1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165847 SGCAICRBIYQWMP-JKZZLZBNSA-N 364.445 4.376 0 40 FIAB CCc1noc(CC)c1CNC(=O)N1CCC[C@H]1c1cccc(C)c1C 87170597 AKWIZCMJGCBTTJ-IBGZPJMESA-N 355.482 4.463 0 40 FIAB Cc1ccc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)s1 96049417 RUUMKSHYSIUGHW-UHFFFAOYSA-N 354.519 4.214 0 40 FIAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc3C2)cc1 100329038 SISAAQVJJIYWIY-JMUQELJHSA-N 360.501 4.163 0 40 FIAB O=C(CSc1ccc(F)cc1)NCc1cncc(-c2ccsc2)c1 206943973 UNIHNMKAEVQRER-UHFFFAOYSA-N 358.463 4.358 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C 222864796 ILQUZEDYJPOXCI-RTBURBONSA-N 354.523 4.217 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 224292544 IQCORXVIAHXQLO-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB CCc1ccc(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 224989497 YKOXDKJUSXYXGV-UHFFFAOYSA-N 356.897 4.102 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C(C)C 225266728 MHNAOFOLLOEOMJ-UHFFFAOYSA-N 355.406 4.206 0 40 FIAB COc1cccc(NC(=O)NCCSCc2cccc(Cl)c2)c1 225759412 GJXMPMPDLGVSOY-UHFFFAOYSA-N 350.871 4.404 0 40 FIAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(Cl)cc1Cl 225834446 MBSIBFGFIAYLRG-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1ccc3ccccc3c1)CC2 253385767 ULROMXPIYUMORB-OAQYLSRUSA-N 367.489 4.278 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2cncc3ccccc23)CC1 257255455 KHNLCVCLWQSUFS-MRXNPFEDSA-N 365.502 4.485 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)s1 331417666 PYZDJBOHKCDJQZ-AWEZNQCLSA-N 373.526 4.198 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCCC2)c(F)c1F 408620644 IBMXETXOSONDRL-UHFFFAOYSA-N 368.330 4.104 0 40 FIAB O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1cc(C2CC2)no1 507613749 ANZWODDGGHHVDQ-UHFFFAOYSA-N 366.392 4.200 0 40 FIAB COCCNC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1 519053007 SZSMMJMXSOQOBX-UHFFFAOYSA-N 354.328 4.266 0 40 FIAB COc1cccc(F)c1[C@H](C)NC(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527781668 XWZDETOEEHXIRA-AVGNSLFASA-N 368.399 4.257 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@H](n2cnc3ccccc32)C1 575617419 PQYIKAUBEUGCKU-OAHLLOKOSA-N 359.351 4.142 0 40 FIAB Cc1cccc(CS(=O)(=O)N[C@@H](C)Cc2csc3ccccc23)c1 575620590 LDYVIRDADXOPPH-HNNXBMFYSA-N 359.516 4.260 0 40 FIAB CC(C)CCN1CC[C@H]2[C@@H]1CC(=O)N2Cc1c(Cl)cccc1Cl 585109187 ZHQYJPNRFDQPSI-IRXDYDNUSA-N 355.309 4.215 0 40 FIAB C[C@H](NC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C)c1ccc(F)cc1 604394417 LKRYXJDRJIYSIA-OGNFBWPZSA-N 354.469 4.269 0 40 FIAB O=C(/C=C/c1ccccc1)NC[C@H](O)c1ccc(-c2cccs2)s1 618255921 KSWALLOHFMARBJ-SHQCLWGWSA-N 355.484 4.340 0 40 FIAB c1csc(-c2nnc([C@@H]3COCCN3Cc3ccccc3C3CC3)o2)c1 685437623 DWZCQXGSBQBBJK-KRWDZBQOSA-N 367.474 4.249 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(Br)cc1C 783448 OQIVONIJUKWZBO-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)cc1C 846913 JSCQNDSEGHUZTC-OAHLLOKOSA-N 351.402 4.124 0 40 FIAB CCCC(=O)NC(=S)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 1000657 OZNUFONFXSLXQC-UHFFFAOYSA-N 353.447 4.416 0 40 FIAB CCCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568049 YGTWRJXPPATPFF-LBPRGKRZSA-N 366.305 4.305 0 40 FIAB Cc1ccccc1-c1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1 2411605 UOZZVRMVWQHPEA-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CC1(C)Cc2nc3oc4c(NCc5ccccc5)ncnc4c3cc2CO1 2445553 RXFYXMOAPUBEPD-UHFFFAOYSA-N 360.417 4.234 0 40 FIAB COc1ccc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cc1OC 2465884 ZMRWSXOGPFXESQ-LBPRGKRZSA-N 358.438 4.095 0 40 FIAB C[C@@]12C[C@H](NC(=O)N1c1cccc(Br)c1)c1ccccc1O2 2498577 JXCLGMHQCOWAKU-WMLDXEAASA-N 359.223 4.219 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1 2720365 QYTULTZTLXPXRV-SNVBAGLBSA-N 371.915 4.335 0 40 FIAB C[C@H]1CN=C(N(Cc2ccc(F)cc2)C(=O)NCc2ccccc2)S1 3114452 ATDSEEFBRZSIAY-AWEZNQCLSA-N 357.454 4.029 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)COc1ccccc1C(C)C 3280103 GSYUZKPUICPVOL-UHFFFAOYSA-N 369.461 4.494 0 40 FIAB CCN(C(=O)[C@@H](C)OC(=O)c1cc(C)nc2ccccc12)c1ccccc1 3556830 HHRMJWINOXGPRX-MRXNPFEDSA-N 362.429 4.142 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)OCCO2 5032447 KVRABGFZIOOJQE-UHFFFAOYSA-N 357.715 4.382 0 40 FIAB Cc1cccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1C 5269889 PQJDGCIDTXSLCO-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)c1nc2ccccc2c(=O)[nH]1 5355810 UWXURSMCMXHWRV-SECBINFHSA-N 363.200 4.148 0 40 FIAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1OC 5549331 IZQGIJDEFCRVAQ-SOFGYWHQSA-N 356.403 4.072 0 40 FIAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1cccc2ccccc12 5679628 DNIYKMOMTFHESO-NRFANRHFSA-N 362.454 4.185 0 40 FIAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1 6478710 PQALPPZGLFTWEL-WOJGMQOQSA-N 369.442 4.249 0 40 FIAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1Cl 6651328 WRPDXWSVTVSPPL-UHFFFAOYSA-N 357.624 4.015 0 40 FIAB COc1cccc(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)c1OC 7007564 WNYNIEODFLSOGM-UHFFFAOYSA-N 357.494 4.269 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 7094338 SKEDKLBVXNIOLS-UHFFFAOYSA-N 366.845 4.309 0 40 FIAB CCC(C)(C)NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 7329069 ICCXJFPMRQPZIM-NSHDSACASA-N 363.552 4.213 0 40 FIAB Cc1ccc(Sc2ccc(NC(=S)NCCN(C)C)cc2)cc1C 7561498 WYGJASJECKFJSB-UHFFFAOYSA-N 359.564 4.303 0 40 FIAB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)NC1CCCCCC1 7742919 ODTHOQKGWXRQKO-ZDUSSCGKSA-N 351.516 4.437 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccccc2OCc2csc(C)n2)c1 7920347 RCSNKUIBZOSVHS-UHFFFAOYSA-N 366.442 4.485 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 8184568 FFZYGSGCFWLKHJ-UHFFFAOYSA-N 366.490 4.382 0 40 FIAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8388888 CZZSLRNMUFWIHU-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB O=C(NCCc1ccc(Cl)cc1Cl)c1c[nH]nc1-c1ccccc1 8719724 GYTJLILGKPJAAL-UHFFFAOYSA-N 360.244 4.356 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(Cl)cc4)c3C2)cc1 10338867 VULQKXMJZVWSKU-AWEZNQCLSA-N 352.821 4.447 0 40 FIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cc(F)cc(F)c1 10491398 HLVUXCOVNMDSDB-UHFFFAOYSA-N 364.298 4.469 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(F)c(F)c2)c1 10491956 SVHXOIHOCXCJPL-UHFFFAOYSA-N 374.416 4.223 0 40 FIAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc(OC(F)F)cc1 10955194 VWOJUWSKLXSRLK-UHFFFAOYSA-N 361.373 4.367 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1C 11615815 JRKFGLQGCXJIMT-UHFFFAOYSA-N 373.430 4.165 0 40 FIAB Cc1cccc(Cc2cnc(NC(=O)c3ccc4nnsc4c3)s2)c1 11692742 PXZOYRUHILGXCB-UHFFFAOYSA-N 366.471 4.299 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 11914495 MBXCTROHMKMZLZ-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB CCOc1cc(C(=O)Nc2cccc(F)c2)ccc1OCc1ccncc1 12537718 DGIIACJXKQRRQB-UHFFFAOYSA-N 366.392 4.451 0 40 FIAB Cc1cc(SCc2cc(=O)n3c(C)csc3n2)nc2ccccc12 12542798 ASFAGFOFGMROTR-UHFFFAOYSA-N 353.472 4.213 0 40 FIAB Cc1cc2occ(CC(=O)Nc3cccc(N4CCCC4=O)c3)c2cc1C 12891318 XBMBAJRXIMKKPH-UHFFFAOYSA-N 362.429 4.358 0 40 FIAB O=C(CCSCc1nc(-c2ccccc2)no1)Nc1ccccc1F 12929822 YOHBYUKTVMCVBG-UHFFFAOYSA-N 357.410 4.138 0 40 FIAB O=C(Nc1cccc2ncccc12)c1ccc2nc(C(F)(F)F)[nH]c2c1 13685148 BFEZREDPKYISMB-UHFFFAOYSA-N 356.307 4.382 0 40 FIAB CN(C)Cc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 14123167 VYLBCFLJPFNEQJ-UHFFFAOYSA-N 352.265 4.377 0 40 FIAB COc1ccccc1CNc1ncccc1-c1nc(-c2ccccc2)no1 15669966 XMULPLLACMTZTM-UHFFFAOYSA-N 358.401 4.419 0 40 FIAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(Br)cc1Cl 17075514 NXNDMCPJAHKSPN-UHFFFAOYSA-N 367.655 4.464 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)CC)CCC2 17247890 ADAJHCCAZWZMCK-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB C[C@@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C[C@@H](C)O1 17325741 OERODXDUQZBQIX-HUUCEWRRSA-N 359.853 4.168 0 40 FIAB COc1cc(C(=O)N(C)Cc2ccc(C)o2)ccc1OCc1ccccc1 17957447 GAEVVTCYVODHNM-UHFFFAOYSA-N 365.429 4.448 0 40 FIAB Cc1nn(-c2ccccc2)c2nc(Cl)c(CNCc3ccco3)cc12 19565339 UCXSEVSJXPIUJY-UHFFFAOYSA-N 352.825 4.265 0 40 FIAB CCC(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694488 QOAFRUHTOQRMSK-KRWDZBQOSA-N 372.900 4.327 0 40 FIAB CN(Cc1ccccc1)C(=O)CCS[C@H]1CCc2ccccc2N=C1O 20426718 KELJXJIHPXVAII-IBGZPJMESA-N 368.502 4.371 0 40 FIAB COc1ccc(SCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1OC 20494686 KOHZMGJIHQMCDJ-OAHLLOKOSA-N 359.491 4.290 0 40 FIAB CCCc1nnc2sc(-c3cccc(NC(=O)c4cccs4)c3)nn12 20609671 LZPCJPICTGOJRK-UHFFFAOYSA-N 369.475 4.119 0 40 FIAB CCCCc1ccc(NC(=S)NC(=O)c2ccc3nsnc3c2)cc1 21595970 JNPXFLBEULGUIJ-UHFFFAOYSA-N 370.503 4.161 0 40 FIAB FC(F)(F)c1ccnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1 22610249 IBIYDGYLNJRADA-UHFFFAOYSA-N 372.759 4.491 0 40 FIAB C(=C/c1ccccc1)\CN1CCN(Cc2ncc(-c3ccccc3)o2)CC1 22790339 KTDFHVJDEZTRIF-JXMROGBWSA-N 359.473 4.173 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NC1CCCCCCC1 22878371 OJRFRPMZVJMORH-MRXNPFEDSA-N 355.486 4.083 0 40 FIAB C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)cc1F 24968702 SUBXMCQBVJCJBQ-ZDUSSCGKSA-N 367.399 4.130 0 40 FIAB COCc1c(C(=O)Nc2cccc(Cn3ccnc3)c2)oc2ccccc12 25174306 BNKVVSHHIOCBMV-UHFFFAOYSA-N 361.401 4.076 0 40 FIAB Cc1cc2nc(NCc3ccccc3Cn3cccn3)c3ccccc3n2n1 26698340 BUWNRGIKBOGPND-UHFFFAOYSA-N 368.444 4.048 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCCC1)C12CC3CC(CC(C3)C1)C2 27663901 XOMXFLYTVAIWTF-IGDKPHCXSA-N 358.551 4.218 0 40 FIAB COc1ccccc1-c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)no1 30040629 PCAPAWGCXULHLM-UHFFFAOYSA-N 363.417 4.203 0 40 FIAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(C2CC2)on1 30476458 QPMMXYDENLBWFL-UHFFFAOYSA-N 368.458 4.465 0 40 FIAB Nc1nc2c(s1)[C@@H](c1ccc(OCc3ccccc3)cc1)CC(O)=N2 32089199 ZFGYCMHYYFQIFY-OAHLLOKOSA-N 351.431 4.428 0 40 FIAB Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)c(C)c1Cl 32648048 SPXVMTBEHVMTBN-GFCCVEGCSA-N 357.841 4.286 0 40 FIAB Cc1csc2nc(CN(C)[C@H](C)c3cc4ccccc4o3)cc(=O)n12 32754481 IEBLSPSUYJJGNX-CYBMUJFWSA-N 353.447 4.004 0 40 FIAB Cc1c(C(=O)N(C)c2ccccc2)cnn1-c1ccccc1C(F)(F)F 32906294 BPWCBZWYXVUQIC-UHFFFAOYSA-N 359.351 4.476 0 40 FIAB CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)F 34363851 NVOZDFQRRUJDTA-DJJJIMSYSA-N 355.409 4.436 0 40 FIAB Cc1cc(C)cc(OCCC(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1 36732950 UZTRHNLOBZNCGZ-FQEVSTJZSA-N 369.461 4.269 0 40 FIAB Cc1ccc(Cc2nnc(NC(=O)Cc3ccccc3Cl)o2)c(C)c1 38548993 LGETWLGLEWJZJT-UHFFFAOYSA-N 355.825 4.112 0 40 FIAB Cc1ccccc1CSCC(=O)NCc1ccc(CN2CCCC2)cc1 44857206 ZDYIRACOGPRCAR-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccsc2)C1 48234176 BGQASLXVHNSLEG-HOCLYGCPSA-N 374.531 4.026 0 40 FIAB Clc1cccc(Cl)c1Cc1nn2c(-c3ccccn3)nnc2s1 49543979 XLJYADGWJWXBGV-UHFFFAOYSA-N 362.245 4.145 0 40 FIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccccc1OCc1ccccc1F 49549892 IQOBRNXCEXEMTF-HNNXBMFYSA-N 351.381 4.262 0 40 FIAB CCCOc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 51787014 LRGCMPSHWCXOBS-UHFFFAOYSA-N 370.268 4.039 0 40 FIAB CC(C)Sc1ncccc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1 55448506 YTSQRVCLIXPICA-UHFFFAOYSA-N 370.478 4.118 0 40 FIAB c1ccc(OCCN2CCC[C@]3(C2)Nc2ccccc2-n2cccc23)cc1 57731711 QLKZBQJZVXKNTD-HSZRJFAPSA-N 359.473 4.273 0 40 FIAB Cc1noc(C)c1CN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 58245035 ULJHJYNNDQQYPO-MSOLQXFVSA-N 363.502 4.045 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2nc(C3CCC3)[nH]c2c1 60331874 JPODJBQDRCRTIA-WEVVVXLNSA-N 361.401 4.211 0 40 FIAB Cc1nc(C(=O)Nc2ccccc2CN(C)C(=O)OC(C)(C)C)cs1 62232638 ODMBZERITSGKTG-UHFFFAOYSA-N 361.467 4.071 0 40 FIAB CC(C)c1nc(COC(=O)c2c[nH]cc2-c2ccc(Cl)s2)no1 63988729 VVRMVWUOQKRSAY-UHFFFAOYSA-N 351.815 4.260 0 40 FIAB CC[C@@H]1CCCCN1c1cc(SCC(=O)N(C)c2ccccc2)ncn1 67255845 CMIWPQLRTZEKCX-MRXNPFEDSA-N 370.522 4.001 0 40 FIAB C[C@@](O)(CNC(=O)Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 75155386 AQVSPWGNKGNGBD-HSZRJFAPSA-N 363.432 4.059 0 40 FIAB COc1ccc(CCC(=O)N2CCC(CSc3ccccn3)CC2)cc1 85557550 HIFOVJJGIIZRIG-UHFFFAOYSA-N 370.518 4.054 0 40 FIAB CCc1nc(COc2cccc(F)c2I)cs1 95432565 AJQZDUJIDIHZHQ-UHFFFAOYSA-N 363.195 4.028 0 40 FIAB COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2ccc3[nH]c(=S)oc3c2)cc1 95459314 HENXMFXTEPNZKH-PIGZYNQJSA-N 372.446 4.005 0 40 FIAB COc1ccc(CC(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1 95956551 HECGZXVCJYPNNZ-UHFFFAOYSA-N 361.445 4.248 0 40 FIAB CC(C)(C)C(=O)N1CCC(CN2CCSC3(CCCCC3)C2)CC1 96012975 VGNNCAUZSSQDDR-UHFFFAOYSA-N 352.588 4.023 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(F)c(F)c1 101084927 SZLUZYGPVUSVCN-HNAYVOBHSA-N 360.360 4.133 0 40 FIAB CC1(C)CC2=Nc3nonc3N[C@H](c3cccc4cccnc34)C2=C(O)C1 102747098 UUYLUHXGYWXSII-QGZVFWFLSA-N 361.405 4.489 0 40 FIAB Cc1c(C=O)c2ccccc2n1C(=O)COc1ccc(Br)cc1 218741786 IRGIESCIEYAJGH-UHFFFAOYSA-N 372.218 4.244 0 40 FIAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(F)cc1F 222966633 NFYISCOODOLGPW-UHFFFAOYSA-N 361.779 4.008 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1Cl 224149661 ROKMMCFNIQPYLG-ZDUSSCGKSA-N 368.260 4.264 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(Cl)c2)cc1Cl 224959873 GQRHQOMGHVYIJF-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2ccccc2OC)c1 225519361 DCWFOORKIMNFSV-IBGZPJMESA-N 355.478 4.294 0 40 FIAB COc1cc(CNC(=S)Nc2c(F)cccc2F)ccc1OC(C)C 225531453 SMCZUXOQUCLHRQ-UHFFFAOYSA-N 366.433 4.247 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C)c(C)c1 225712491 CEXTTWPKHYEWFM-LJQANCHMSA-N 369.534 4.443 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NC2(c3cccnc3)CCCC2)c1 225863330 LPESDCKPQKRBEC-UHFFFAOYSA-N 369.490 4.014 0 40 FIAB C[C@@H]1[C@@H](NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)CCC[C@H]1C 245284195 QMUCHQGAHUOBNQ-IGCXYCKISA-N 357.325 4.366 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)N1CCCC[C@@H]1c1nccn1CC)C(F)(F)F 334086891 KXLNQMDRYYMPKP-BFHYXJOUSA-N 360.424 4.117 0 40 FIAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409124326 BKIDEDVVHUPFHC-XNTDXEJSSA-N 363.822 4.283 0 40 FIAB COc1ccc(-c2noc([C@H](NC(=O)c3cccc(C)c3)C(C)C)n2)cc1 585152257 HKBRGQQOCXZBNC-GOSISDBHSA-N 365.433 4.181 0 40 FIAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(CCC(=O)O)c1 682437386 QEBQIWYNJTXCLX-UHFFFAOYSA-N 362.429 4.050 0 40 FIAB CN1[C@H]2CC[C@@H]1CC(N(CCc1ccccc1)C(=O)c1ccc(F)cc1)C2 756549 PWLIDMDJUDGSGJ-CBQGHPETSA-N 366.480 4.136 0 40 FIAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)cc1 807920 LQBDMWDMOSCPOV-UHFFFAOYSA-N 362.429 4.271 0 40 FIAB NC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCCC2 943179 HHNFKBRSTGIHDQ-UHFFFAOYSA-N 364.470 4.060 0 40 FIAB COc1ccc(N2NC(c3ccccc3)(c3ccccc3)[C@H](C)C2=O)cc1 1644541 IGVATZBOONVYEJ-QGZVFWFLSA-N 358.441 4.126 0 40 FIAB Fc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1 2325643 RFDIWYMOANADRR-UHFFFAOYSA-N 360.801 4.224 0 40 FIAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1 3225130 DJLYEPLUSNHXNV-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB COC(=O)c1ccc(COC(=O)Cc2ccc(Cl)cc2Cl)cc1 3247201 VQMYLVHITZQSEH-UHFFFAOYSA-N 353.201 4.066 0 40 FIAB O=C(Cc1ccccc1F)Nc1nc(SCc2ccccc2)ns1 3454208 PFMWLODFQATIHK-UHFFFAOYSA-N 359.451 4.151 0 40 FIAB COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 3893221 KRXVPVACDBYTMS-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB CC(C)(C)c1nc2c(Br)cc(Br)cc2c(=O)o1 4171278 OVVMXBSGQWQCGB-UHFFFAOYSA-N 361.033 4.011 0 40 FIAB CN(C)CCCN(C(=O)c1ccccc1)c1nc2c(F)cccc2s1 4359749 QAFDDOJUCDVPKR-UHFFFAOYSA-N 357.454 4.034 0 40 FIAB Cc1ccc(-c2ocnc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 4932744 YSLQJLXTSIOHRY-UHFFFAOYSA-N 362.414 4.421 0 40 FIAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccco3)sc2c1 5265119 ZSYFBWYGEZSUPR-UHFFFAOYSA-N 365.414 4.140 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 5463511 IFBSQQRLAXINEU-UHFFFAOYSA-N 362.882 4.213 0 40 FIAB Cc1cccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)c1 6067700 OXCCZIQAYHBDGP-KRWDZBQOSA-N 366.486 4.176 0 40 FIAB O=C(OCC(=O)c1cccs1)c1cccc(NC(=O)c2cccs2)c1 6114802 SGEDJKCNGAZKBK-UHFFFAOYSA-N 371.439 4.102 0 40 FIAB CC(=O)c1c(C)[nH]c(-c2csc(Cc3nc4ccccc4n3C)n2)c1C 7119320 AKLWCDNMDYTKKF-UHFFFAOYSA-N 364.474 4.435 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)o1 7194879 ZLKNKNYBLYPLRM-VIFPVBQESA-N 350.346 4.280 0 40 FIAB CCc1cc2c(SCC(=O)c3ccc(OC)c(F)c3)ncnc2s1 7426515 IKOOCSDRWMPCTD-UHFFFAOYSA-N 362.451 4.376 0 40 FIAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1Br 7830590 HFCYPEJWNZHWOU-JTQLQIEISA-N 366.280 4.279 0 40 FIAB Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccccc2)c1 8476890 QSJGPTORYLIVJM-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 9141416 XTZGNHBDYHVCGK-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10314544 WFWCHPCVGDHCCO-INIZCTEOSA-N 374.506 4.023 0 40 FIAB CCCn1c(S[C@H]2CCCCNC2=O)nc2ccc(C(F)(F)F)cc21 10989455 OPJCLSOPUXWMSE-AWEZNQCLSA-N 371.428 4.226 0 40 FIAB COc1ccc(OC)c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 11428141 MUFNAIJZLNBZOW-UHFFFAOYSA-N 370.380 4.069 0 40 FIAB CCN(CC)[C@@H](CNC(=O)COc1ccccc1C)c1ccccc1Cl 11917278 LDBPEJQEFQKCOA-IBGZPJMESA-N 374.912 4.227 0 40 FIAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)NCc1ccccc1 12322329 CYWHIJJFJACDGX-GOSISDBHSA-N 354.475 4.029 0 40 FIAB C/C=C/c1ccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c(OC)c1 12409161 AKIHIGSFBGHZIK-VOTSOKGWSA-N 350.422 4.422 0 40 FIAB O=S(=O)(c1c(Cl)cccc1Cl)N(Cc1ccccc1F)C1CC1 12780938 ASTJKJYCUJCNNR-UHFFFAOYSA-N 374.264 4.486 0 40 FIAB COc1ccc(C)cc1CN(C)C(=O)Cc1nc(-c2ccccc2)oc1C 12802899 KLQGYMYGRKZVRC-UHFFFAOYSA-N 364.445 4.168 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccccc1SC)O[C@H](C)C2 12974159 KLBRCQDRAOVSHG-CYBMUJFWSA-N 357.475 4.061 0 40 FIAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(CN2CCC(C)CC2)cc1 12989443 JIVDZVWWZJTOHW-UHFFFAOYSA-N 369.509 4.268 0 40 FIAB CSc1nc(C)c(CCC(=O)Nc2ccc(F)cc2Cl)c(C)n1 12996858 COYMVHQWMMXVMN-UHFFFAOYSA-N 353.850 4.179 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)cc1 13018291 KJRCXGOTVLPWLC-UHFFFAOYSA-N 374.440 4.116 0 40 FIAB O=C(COc1cccc(C(=O)O)c1)Nc1ccc(Oc2ccccc2)cc1 13080027 GKEBAALDUHBULP-UHFFFAOYSA-N 363.369 4.195 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2c1 13961344 BFGVPOLZZFYFOP-UHFFFAOYSA-N 362.351 4.168 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)[C@@H]1CC=CCC1 14115012 VSNOFCXCJFYRDZ-QGZVFWFLSA-N 350.466 4.356 0 40 FIAB O=C(COc1ccccc1Cl)NCCSc1ccc(Cl)cc1 15028520 XFLIOIJLWAIKTH-UHFFFAOYSA-N 356.274 4.281 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccnn1Cc1ccc(Cl)cc1 15641048 ZSRSUFQJKZGCAV-BJMVGYQFSA-N 355.800 4.376 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883241 NVEOJXIUBWNTIV-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB COc1ccc2nc(N3C(=O)CS[C@@H]3c3ccccc3OC)sc2c1 19927218 WYMXGRIDCVXZSW-QGZVFWFLSA-N 372.471 4.092 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)OC)c1C 20461370 WJQGDNLVGFMVMG-MRXNPFEDSA-N 361.825 4.231 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2noc(-c3ccc(C)cc3)n2)cc1 21800582 MXZJXLJMSQLYBF-CQSZACIVSA-N 351.406 4.013 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc(Cl)c2c(c1)OCCO2 24665672 NRXSUCBNFFPBHH-UHFFFAOYSA-N 352.217 4.037 0 40 FIAB Cc1nccn1-c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 28577242 YCSYKXKODBVBQZ-UHFFFAOYSA-N 369.490 4.279 0 40 FIAB CN(C)c1cccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)c1 32610033 BKYMPOVXFBMDPO-UHFFFAOYSA-N 372.831 4.042 0 40 FIAB COc1ccc(OC)c(CCC(=O)N2CCC[C@H]2c2ccc(C)cc2)c1 32754159 YNSNGYCCMNAMQP-FQEVSTJZSA-N 353.462 4.309 0 40 FIAB CC(C)(C)c1ccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)cc1 33678463 QFBOHKHXSFBIOX-LGMDPLHJSA-N 358.507 4.464 0 40 FIAB O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 40156359 NTSNVUIMHRNFBZ-UHFFFAOYSA-N 371.893 4.359 0 40 FIAB CCOc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc2c1 41092025 MTGBQCMVXWMIAU-HNNXBMFYSA-N 355.459 4.278 0 40 FIAB Cc1ccc(OCc2csc(-c3cnn(C)c3)n2)c2c1[C@@H](C)CC2=O 48314059 LXBDACLAZHAUQH-LBPRGKRZSA-N 353.447 4.121 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C(C)C)s1 49545192 ABIHXUITAPZGJF-UHFFFAOYSA-N 361.496 4.114 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 57412773 IBDDXKJMCQAXJF-UHFFFAOYSA-N 359.788 4.439 0 40 FIAB CC(C)c1ccc2nc(CC(=O)Nc3cccc4ccccc34)[nH]c(=O)c2c1 57771751 PMESRYLBPZRBPB-UHFFFAOYSA-N 371.440 4.381 0 40 FIAB C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3cnn4cccnc34)c2)C1 62922767 RPSOIPGEIWUNCM-QAPCUYQASA-N 364.449 4.077 0 40 FIAB Cc1ccc(NC(=O)c2c(C)nc3ccc(C)cn23)c(Br)c1 71459322 PEAJSPZMBHNMDK-UHFFFAOYSA-N 358.239 4.274 0 40 FIAB CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)CCOC(C)C)cc1 72286725 KVUOIWJZIMUZEV-VQTJNVASSA-N 363.498 4.097 0 40 FIAB Cc1ccccc1-c1cc(NC(=O)c2ccc(Br)o2)n(C)n1 74285597 NRVPALPXMSYHEJ-UHFFFAOYSA-N 360.211 4.003 0 40 FIAB COCCn1cc(CCC(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21 79189432 SUPXVBPEEIKYIR-UHFFFAOYSA-N 361.445 4.340 0 40 FIAB biogenic O=C(NCc1cccnc1)N1CCc2ccccc2[C@H]1Cc1ccccc1 90073727 RHUFYNLXNRTQAO-JOCHJYFZSA-N 357.457 4.133 0 40 FIAB COC(=O)c1cc2ccccc2cc1NC(=O)C1=NO[C@H](c2ccccc2)C1 95377479 RUTOTJJJFYBUQK-FQEVSTJZSA-N 374.396 4.083 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 97632510 NAFISLZINBYCSH-FZMZJTMJSA-N 365.886 4.177 0 40 FIAB C[C@@H](c1ccccc1)n1c(S)nc2ccc(Br)cc2c1=O 100435396 MZXXNYMEGPHVHK-JTQLQIEISA-N 361.264 4.057 0 40 FIAB CCOC(=O)C(=O)[C@@H]1CCc2c([nH]c3ccc(C4CCCCC4)cc23)C1=O 100541929 ILIBTDGADGVARC-MRXNPFEDSA-N 367.445 4.093 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718304 KEOMUGFVIOFIFB-JTQLQIEISA-N 367.207 4.124 0 40 FIAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(C)C2=O)cc1OC 107875738 HYGVYPJEVCYHTJ-ITTMYVLYSA-N 355.843 4.192 0 40 FIAB CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 223701854 SXYFGFFQSARGKW-UHFFFAOYSA-N 373.865 4.438 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cc(C)ccc1C 224024614 OISGDQLGDMAGJI-SFHVURJKSA-N 361.869 4.309 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](Cc2cccc(Br)c2)C(=O)O)c1 225063952 ODPLDTGNJOYTCM-KRWDZBQOSA-N 363.251 4.449 0 40 FIAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 225306695 JNXBOLGMLHQBKH-INIZCTEOSA-N 373.324 4.427 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc3c(c2)OCO3)cc1 225498355 YACYLTHWWVGZFY-KRWDZBQOSA-N 372.490 4.498 0 40 FIAB CC1(C)C[C@H](NC(=S)Nc2ccc3c(c2)OCO3)c2ccccc2O1 225576377 SVVUHYYNWHHQKT-AWEZNQCLSA-N 356.447 4.004 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1C 225759072 BOSGUDKZRYWSAU-SFHVURJKSA-N 355.507 4.135 0 40 FIAB COc1cccc(NC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 225764859 CPURFQKLOHEMKG-UHFFFAOYSA-N 372.812 4.063 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccccc2Cl)no1 225812354 FFWLGFUAZVRMBV-ZDUSSCGKSA-N 367.836 4.300 0 40 FIAB COCCC(=O)N1CCCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 257212274 CCPVKEGNIOHOSF-HXUWFJFHSA-N 356.441 4.286 0 40 FIAB Cc1nccn1-c1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1 257312561 UONINIAQBXQLCP-VNHVOUQCSA-N 352.478 4.055 0 40 FIAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3cnc(C)cn3)cs2)nc1 257338693 YYODQMXWMUVCCS-QGZVFWFLSA-N 366.494 4.026 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 409122786 BQIPEXWEPCRFBE-INIZCTEOSA-N 374.937 4.311 0 40 FIAB O=C1S/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1c1ccc(Cl)cc1 409190682 PROSZXDEAYSMFJ-MHWRWJLKSA-N 373.817 4.352 0 40 FIAB O=C(NCc1ncc(-c2cccs2)[nH]1)c1[nH]c2ccc(F)cc2c1Cl 527173803 HHRXGKICYYAOAZ-UHFFFAOYSA-N 374.828 4.342 0 40 FIAB Cc1ccc(Cc2ccccn2)cc1NC(=O)N1CCOC[C@@H]1CC(C)C 549375934 OTHYEPHYVRADGT-FQEVSTJZSA-N 367.493 4.260 0 40 FIAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3ccsc3)o2)cc1 575609695 DUGZUQKXOPCTCN-UHFFFAOYSA-N 368.458 4.386 0 40 FIAB Cc1[nH]c2ccc(OCc3ccc(OCC(F)(F)F)nn3)cc2c1C 585091220 MRSHFTLKDHFIEO-UHFFFAOYSA-N 351.328 4.095 0 40 FIAB COc1ccc2c(c1)CCCCN2C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 622474215 JGGKAANOKHWUHG-UHFFFAOYSA-N 361.445 4.377 0 40 FIAB Cn1nc(-c2ccsc2)cc1NC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 653032258 LUEJHPSUWVMNNI-KRWDZBQOSA-N 367.478 4.159 0 40 FIAB Cc1noc(C(C)C)c1C(=O)N1CCOc2c1cccc2C(F)(F)F 653931582 OILJOEWGUPKRIH-UHFFFAOYSA-N 354.328 4.164 0 40 FIAB NC(=S)c1cc2ccccc2o/c1=N\c1ccccc1Br 1889298580 JJGQVNPWPCNEJD-MNDPQUGUSA-N 359.248 4.062 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 899799 PSEWBWZTUUGQLI-HNNXBMFYSA-N 366.490 4.063 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(Cl)cc1 1267336 KGUCVLOVXGHCSE-UHFFFAOYSA-N 365.842 4.216 0 40 FIAB O=C1CS[C@@H](c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1 1402926 AGCYUAGYSMZZPQ-HNNXBMFYSA-N 351.349 4.053 0 40 FIAB O=c1oc2cc(Br)ccc2n1SC(Cl)(Cl)Cl 1668481 VNLJZHCGCLQMGG-UHFFFAOYSA-N 363.447 4.181 0 40 FIAB CC(C)C(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 2274606 LRRQUJXTVKRTKX-IRXDYDNUSA-N 352.478 4.013 0 40 FIAB CC(C)Oc1ccc([C@@H]2NC(=O)c3c(sc4c3CC(C)(C)OC4)N2)cc1 2394065 XNCRWCQTSIRBFN-QGZVFWFLSA-N 372.490 4.241 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4C)nc32)cc1Cl 2411614 BQJXKTWRAOJJRU-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB O=C(/C=C/c1ccc(Br)cc1)NCCc1c[nH]c2ccccc12 2561778 MQDJLKMYNMYHQP-JXMROGBWSA-N 369.262 4.303 0 40 FIAB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 3431337 REGZZOXJBVXPAT-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB Cn1c(-c2ccc(Br)o2)nc2cc(Br)ccc21 4038681 RWFILZXCLJOOIP-UHFFFAOYSA-N 356.017 4.358 0 40 FIAB O=C(O)CC/C(=C\c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 5131366 FLBCWVAYBYHMRH-SDNWHVSQSA-N 367.426 4.473 0 40 FIAB Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@@H](c2ccco2)C1=O 5451796 KWJVGCCPNGVDDQ-NRFANRHFSA-N 360.413 4.018 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1 5980780 OZIJBQCHYBNUAX-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OC)c1 6478707 MOBFZFBVJOREQA-VCHYOVAHSA-N 369.442 4.249 0 40 FIAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccccc1Br 6839464 CPWFDXFHWXTUBX-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB O=C(CCc1ccc(F)cc1)NCc1ccc(CN2CCCCC2)cc1 7448700 OBYDUFBJPQXISV-UHFFFAOYSA-N 354.469 4.061 0 40 FIAB Cc1cccc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 8276411 FZPLUZVYPDVQJP-JOCHJYFZSA-N 369.461 4.049 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 8500030 DQAWYFICUWQWKX-SFHVURJKSA-N 357.519 4.429 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3cccc(C(=O)O)c3)o2)cc1 8731662 WUVFCFSCOZAEJY-UHFFFAOYSA-N 370.430 4.304 0 40 FIAB Cc1ccc(-c2nn(Cc3ccccc3F)c(=O)c3nc(C)sc23)cc1 8955151 KDCXEKQCKYUPOZ-UHFFFAOYSA-N 365.433 4.324 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1 9365290 PFEFKWUHIPEZQW-LBPRGKRZSA-N 364.367 4.084 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1ccc2c(c1)OCO2 10293540 ZYARQYKCKRXSAH-UHFFFAOYSA-N 373.452 4.296 0 40 FIAB C[S@](=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 10372524 LTWDKCJFEOEEFU-PUAOIOHZSA-N 370.499 4.011 0 40 FIAB CC(C)(CO)Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 11692709 VEFOISCPAZCMPQ-UHFFFAOYSA-N 372.266 4.242 0 40 FIAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(Br)s2)cc1 11714905 KGCRGFOZZDCVLQ-UHFFFAOYSA-N 367.268 4.357 0 40 FIAB CC(C)Oc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1 11913746 CQJAOQQWBFBZAU-UHFFFAOYSA-N 371.824 4.358 0 40 FIAB COc1ccc(CN(Cc2c(C)oc3ccccc23)C[C@H](C)O)cc1OC 12185529 IGBGSHSQATVZLB-HNNXBMFYSA-N 369.461 4.141 0 40 FIAB CN(C(=O)Nc1ccccc1F)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12550108 NUBKEIDTCZOZCQ-KRWDZBQOSA-N 372.831 4.466 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 12642319 VLWKIJKTPYGXAT-INIZCTEOSA-N 365.477 4.376 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 12794727 JBZTUYANXJVYHT-AWEZNQCLSA-N 373.522 4.009 0 40 FIAB O=C(OCc1cc(-c2ccccc2)no1)c1cc(Cl)c2c(c1)OCCO2 12796130 HEVSMIKXVLGJET-UHFFFAOYSA-N 371.776 4.123 0 40 FIAB COc1ccc(-c2nc(CN(C)Cc3ccccc3)cs2)c(OC)c1 12857670 LEFCWJPASADNEP-UHFFFAOYSA-N 354.475 4.459 0 40 FIAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Cl)cc1F 12914065 NUEPFFIHUWUVQG-ZDUSSCGKSA-N 359.875 4.239 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)c(C)c2)cc1 12948325 SLKCBQMVLQBLAQ-LJQANCHMSA-N 359.853 4.400 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2ccccc2F)C1 12951165 KYIGRCMXWRANTN-JTQLQIEISA-N 367.207 4.124 0 40 FIAB Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2cccc(C)c2)c1 13006122 DRZWSQDKXLVIOW-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2O)n[nH]1 13125567 LKTCNBQSYCSSDZ-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB CC(C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 14113679 GNJZHELTVMIKNS-UHFFFAOYSA-N 353.853 4.260 0 40 FIAB COc1ccccc1OCCNC(=O)Cc1ccc(-c2ccccc2)cc1 14137011 JPMLTESYCFQDQQ-UHFFFAOYSA-N 361.441 4.100 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F 15331147 FYPMHYLDIFZVFJ-VIFPVBQESA-N 356.166 4.133 0 40 FIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CSc2nncc3ccccc23)C1 16578036 NGISVSWVBYTYEU-YWZLYKJASA-N 355.507 4.149 0 40 FIAB COc1cccc(Nc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)c1 16939868 NUDUREKRVSYGHM-UHFFFAOYSA-N 351.431 4.081 0 40 FIAB Cc1cc(SCC(=O)Nc2cccc3nsnc23)nc2ccccc12 19077085 GVWRUCRLNXQXTE-UHFFFAOYSA-N 366.471 4.279 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccco1)[C@@H]3c1cccnc1 19563281 BRXGOYULZLMTHS-JOCHJYFZSA-N 359.429 4.312 0 40 FIAB COc1ccc(C(=O)O)cc1NC(=O)c1cccc2c(Cl)cccc12 20138963 FZTQVBIIBFUYLD-UHFFFAOYSA-N 355.777 4.452 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(OC(F)F)cc1 21768197 KHYSLMHFNYPJKW-UHFFFAOYSA-N 360.187 4.454 0 40 FIAB CCCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 21789028 IUEHFNLYYGFEHD-UHFFFAOYSA-N 369.368 4.434 0 40 FIAB Cc1ccccc1-c1nc(NC(=O)[C@@H](C)Oc2ccccc2Cl)no1 21806687 VTAUNAMZRPUJOY-GFCCVEGCSA-N 357.797 4.104 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(NC(=O)C2CC2)s1 22019638 KRUMTOYGTKEKKM-UHFFFAOYSA-N 369.273 4.333 0 40 FIAB CC(C)(C)C(=O)Nc1ccccc1-c1nc(COc2ccccc2)no1 22463031 PGDSEFJAXGHRCT-UHFFFAOYSA-N 351.406 4.300 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(COC(=O)[C@@H]3CC=CCC3)cs2)cc1 23512325 DMLVHODFSUOKQW-OAHLLOKOSA-N 370.474 4.032 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCC1 24189847 AKMYTUXDXYLPEV-INIZCTEOSA-N 372.896 4.020 0 40 FIAB O=C(COc1ccc2ccccc2c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 24833597 QILQJTNYXORXDX-HZPDHXFCSA-N 351.368 4.456 0 40 FIAB CC(=O)c1ccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)cc1 27976609 FHNRPCVTELEJRX-UHFFFAOYSA-N 350.374 4.017 0 40 FIAB Cc1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)oc2ccc(F)cc12 27985999 CTIZQXKXHOUWOY-INIZCTEOSA-N 357.381 4.295 0 40 FIAB O=C(CCc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 28576219 FFRMDTGJEKWZGM-UHFFFAOYSA-N 363.288 4.275 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1CC 30859236 SQAYZTJPKFCIPQ-MRXNPFEDSA-N 368.477 4.185 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc2cc(Cl)ccc2[nH]1 32759795 DOCCTKMLADTKGD-UHFFFAOYSA-N 367.880 4.347 0 40 FIAB Cc1ccc(C(=O)C2CCN(Cn3ncn(C(C)C)c3=S)CC2)c(C)c1 32824956 OPEZSPTXKXYKEL-UHFFFAOYSA-N 372.538 4.164 0 40 FIAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)CCc2ccco2)cc1 32908716 IBWNNYUDDWSQMQ-UHFFFAOYSA-N 362.473 4.257 0 40 FIAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)OCO2 32913910 WKYDWAACEUJFOP-UHFFFAOYSA-N 370.405 4.162 0 40 FIAB CCOC(=O)c1c(NCc2ccccc2C)c2ccc(Cl)cc2[nH]c1=O 33256898 PCORBIMPJKCOCX-UHFFFAOYSA-N 370.836 4.279 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3c(C)noc3n2)cc1 36617395 IFVUBLWJEAIGLN-UHFFFAOYSA-N 365.433 4.223 0 40 FIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@]1(C)CC1(Cl)Cl 40108443 XFSAJESHDDNTEG-RNCFNFMXSA-N 365.098 4.080 0 40 FIAB Cc1nc(C)c([C@H](C)NC(=O)CCC(=O)c2ccc(Cl)cc2)s1 40157756 PPCNOEBUPCDYEV-NSHDSACASA-N 350.871 4.254 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cccnc1NCc1ccncc1 40556531 VPNAJKWYYJXZPY-UHFFFAOYSA-N 368.824 4.003 0 40 FIAB S=C(Nc1ccc2c(c1)OCCO2)N1CCCCC[C@@H]1c1ccncc1 44082680 SOWVBQYVIYUIHD-QGZVFWFLSA-N 369.490 4.167 0 40 FIAB CC(C)C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1nc2ccccc2[nH]1 48109736 RULUWPDKURFWCC-UZLBHIALSA-N 365.477 4.372 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(Br)s1 48356036 YSKKKMWPKIGJRT-LLVKDONJSA-N 370.337 4.449 0 40 FIAB CCc1nc(SCC(=O)Nc2cccc(O)c2)c2cc(CC)sc2n1 49544274 HDPFEZFFYILDGU-UHFFFAOYSA-N 373.503 4.253 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1cccc(NC(C)=O)c1 49546183 GADUCGPRXQQJPI-UHFFFAOYSA-N 368.462 4.097 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C)cc1OCc1ccccc1 49550389 DYNUKNCDSUGNKJ-INIZCTEOSA-N 363.417 4.131 0 40 FIAB O=C(Nc1cccc(CNc2cncc(Cl)n2)c1)c1cccc(F)c1 53575156 HQJNPFLCTJLKQQ-UHFFFAOYSA-N 356.788 4.134 0 40 FIAB O=C1Nc2ccccc2S[C@H]1CC(=O)N(C1CCCC1)C1CCCC1 57793061 XTXHXBBBNHQTQH-SFHVURJKSA-N 358.507 4.203 0 40 FIAB CCc1nnc([C@H]2Cc3ccccc3CN2Cc2nc3ccccc3o2)o1 65606345 RVOGRVNMKUPEMR-QGZVFWFLSA-N 360.417 4.073 0 40 FIAB Cc1cc(N2CCCc3ccccc32)ncc1CNC(=O)OC(C)(C)C 72223913 DSBAMHAJPRGJEY-UHFFFAOYSA-N 353.466 4.499 0 40 FIAB O=C(CN[C@H](c1ccccc1)C(F)(F)F)Nc1ccc(Cl)cc1F 72276853 LIXOZPUUKLRLTQ-OAHLLOKOSA-N 360.738 4.311 0 40 FIAB CCn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358232 GBCAPECQKHFILX-OAQYLSRUSA-N 364.468 4.365 0 40 FIAB Fc1ccc(CN2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 72375920 IKOSIOOAZLPIIL-KRWDZBQOSA-N 363.440 4.134 0 40 FIAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1c[nH]c2ccc(F)cc12 89904321 JIIZARZZTOWMAZ-NSHDSACASA-N 353.422 4.278 0 40 FIAB Cc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)s1 96047216 WDUAVXQZIXNGNR-UHFFFAOYSA-N 361.580 4.391 0 40 FIAB O=C(c1ccc(-c2cccs2)cc1)N1C[C@H]2CNC[C@@H]2c2ccccc21 96157006 SXLZOEUGHZXZSO-MJGOQNOKSA-N 360.482 4.379 0 40 FIAB CO[C@@](C)(CNC(=O)NCCCc1ccccc1)c1cccc(Cl)c1 96393267 LLAXXVIMNXSYJG-FQEVSTJZSA-N 360.885 4.134 0 40 FIAB CN(C)C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 96968075 STSKQUKACYYHCC-INIZCTEOSA-N 352.265 4.418 0 40 FIAB Cc1cccc(NC(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426238 HUBJJRMFVGTSHN-ROUUACIJSA-N 357.498 4.075 0 40 FIAB COc1ccc2[nH]c(SCC(=O)O[C@@H]3C[C@@]4(C)CC[C@H]3C4(C)C)nc2c1 103395109 BBPHOMDXYGSYBC-OWDMVUQNSA-N 374.506 4.422 0 40 FIAB Cn1c(=O)cc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c2ccccc21 108909591 DDJNLSVLVAFBKL-UHFFFAOYSA-N 366.848 4.001 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219577500 NVDWTVCKTUFVNO-IAGOWNOFSA-N 357.425 4.402 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222433736 TURLJRJDGPOXBH-UHFFFAOYSA-N 374.506 4.075 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1C 222797779 BFNSFFDUDIYDJO-UHFFFAOYSA-N 369.461 4.487 0 40 FIAB CCCCNC(=O)c1ccc(OCC)c(COc2ccccc2OC)c1 224573084 WZFPKNWQUZIAIA-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB COc1ccccc1/C=C/C(=O)NCc1cccc(CN2CCCCC2)c1 224644615 VEBGBFONKGFKCH-OUKQBFOZSA-N 364.489 4.011 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 225163536 YYXMFEBUEPDXDH-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCCC1 225186990 UBLBAYQTJROZNB-UHFFFAOYSA-N 354.425 4.023 0 40 FIAB Cc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1C 225448728 STLGQWCJDNFDOX-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 242876836 GJLJYGNNMBLVJT-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB COC1CCN(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1 253399685 JUIVPONEBBCIOD-UHFFFAOYSA-N 367.474 4.164 0 40 FIAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C)c4)OCC[C@@]31C2 257201520 AHYSOPDNWKXBKV-XLQGDHTPSA-N 371.521 4.030 0 40 FIAB CC(C)C(=O)N[C@@]1(C)C[C@H](c2ccccc2C(=O)O)O[C@@H]2C[C@H](C)CC[C@H]21 257216375 CUHXDKDMRHGTPX-SUSJXKDRSA-N 373.493 4.182 0 40 FIAB CCOCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257244117 IJXWDABIPUIUOD-QGZVFWFLSA-N 362.857 4.009 0 40 FIAB CCn1c2c(s/c1=N\C(=O)c1cccc(F)c1)CCc1ccccc1-2 408559657 AQYYQOJCCSQBHR-XDOYNYLZSA-N 352.434 4.215 0 40 FIAB O=C(Cc1ccccc1)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 408713401 XAQBNZVYUPKXAM-UHFFFAOYSA-N 364.470 4.319 0 40 FIAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(F)cc1 409131066 MXOSIIOLUIRQBT-UHFFFAOYSA-N 366.230 4.477 0 40 FIAB COc1ccc2c(c1)C1(CC1)CN(c1nc(-c3ccccn3)nc(C)c1C)C2 564260466 AECPBUDUMOKXKA-UHFFFAOYSA-N 372.472 4.216 0 40 FIAB CCn1c([C@H](C)Nc2ccc(S(=O)(=O)CC)cc2)nc2ccccc21 566380367 IPNRRDYLNLBOEW-AWEZNQCLSA-N 357.479 4.023 0 40 FIAB CCc1ccc2occ(C(=O)N3CCN(C(C)=O)C4(CCCCC4)C3)c2c1 573734006 PLTDOLUTWPYULC-UHFFFAOYSA-N 368.477 4.002 0 40 FIAB CN1CCC(CNC(=O)Nc2cccc(Sc3ccccc3)c2)CC1 604907321 YDEOLDXKSUDSIV-UHFFFAOYSA-N 355.507 4.301 0 40 FIAB COc1ccc([C@@H]2C3=C(O)N(C(C)=O)CC3=Nc3cccc4[nH]cc2c34)cc1 1547212395 IWSNJOJSVCMABH-IBGZPJMESA-N 373.412 4.026 0 40 FIAB CCC[C@H]1CN(c2cccc(C(F)(F)F)c2)CCN1c1ccnc(C)n1 1642498522 LNQULZLNURSJGJ-KRWDZBQOSA-N 364.415 4.299 0 40 FIAB O=C(c1ccccc1)n1nc(-c2cccnc2)nc1SCc1ccccc1 858858 RZUSKJZNWSTTHR-UHFFFAOYSA-N 372.453 4.321 0 40 FIAB NC(=O)c1sc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N 1260712 ODRLPIFYTBDWPT-UHFFFAOYSA-N 351.456 4.373 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1264248 IEKFVPSWUDEMBN-UHFFFAOYSA-N 373.444 4.165 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2Cl)C1=O 1504448 XAYPWDQJFXKGKJ-MHWRWJLKSA-N 374.849 4.455 0 40 FIAB CCCCCC(=O)N[C@@H](Nc1ccc(OC)cc1)C(Cl)(Cl)Cl 1787062 WBZWJYLFDKTCCS-CQSZACIVSA-N 367.704 4.500 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)cc1F)CO3 2224076 AYFACBDLSGXMRQ-UHFFFAOYSA-N 357.356 4.299 0 40 FIAB Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 2396781 NTUKRHYMTOLKCU-UHFFFAOYSA-N 366.421 4.413 0 40 FIAB C[C@H](NC(=O)CSc1ncnc2c1oc1ccccc12)c1ccccc1 2435952 YLURPJXTBJYEDW-ZDUSSCGKSA-N 363.442 4.346 0 40 FIAB Cc1cccc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)c1C 2787175 BLFJCVAJHRZVAG-UHFFFAOYSA-N 355.825 4.442 0 40 FIAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1cccc(Cl)c1 3238974 YWMOVRZNQLZDFV-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)cc1 3317861 SUQVQBUYMFEIST-KRWDZBQOSA-N 364.489 4.171 0 40 FIAB O=C(CCCOc1ccc(Br)cc1)Nc1ccc(F)cc1 3537186 MMVAUCLNWBMOGT-UHFFFAOYSA-N 352.203 4.386 0 40 FIAB Cc1c([C@H](C)OC(=O)c2cccc(C(F)(F)F)c2)sc2ncnn12 4091679 TXALFIOZHWDJOH-VIFPVBQESA-N 355.341 4.036 0 40 FIAB COc1cc(C(=O)N(c2ccccn2)C2CCCCC2)cc(OC)c1OC 4140327 PFSMJLCHZFCCQF-UHFFFAOYSA-N 370.449 4.087 0 40 FIAB CC(C)N1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 4313788 GNQOSRWJXOUIFY-QHCPKHFHSA-N 365.473 4.200 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2ccco2)nn1 4357972 FWBUKGGYOCRUAA-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COc1cc2nc(NC(=O)c3ccc(SC)cc3)sc2cc1OC 4517697 WYFLGSCVSFLIFE-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1 4675636 NNHKHODLBMTXHK-QGZVFWFLSA-N 366.461 4.084 0 40 FIAB Cn1c(SCCOc2ccccc2)nnc1-c1cc2ccccc2o1 4816259 WTSNZPDZXUQLIS-UHFFFAOYSA-N 351.431 4.399 0 40 FIAB COc1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 5598770 PCRKAYDDEPRHAV-UHFFFAOYSA-N 355.415 4.288 0 40 FIAB CC(=O)Nc1nn(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=S)s1 5613371 NAPOMOZYSJPKOF-UHFFFAOYSA-N 363.251 4.019 0 40 FIAB Cn1c(SCc2cn3cc(Cl)ccc3n2)nnc1-c1ccc(F)cc1 6105854 IVWSKDRTAUKNID-UHFFFAOYSA-N 373.844 4.215 0 40 FIAB O=C(c1ccccc1NC(=O)C(Cl)(Cl)Cl)N1CCCCCC1 6258501 CFENSDSNOJHRIZ-UHFFFAOYSA-N 363.672 4.012 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)oc2c1 6304958 MQMDVRZNXBTFHL-RUDMXATFSA-N 355.781 4.092 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(Cl)ccc2Cl)[C@@H]1C 6522697 CNZWJJMHMBLILM-HFAKWTLXSA-N 358.265 4.091 0 40 FIAB O=C(CSc1nnc(C2CC2)o1)Nc1ccc(-c2ccccc2)cc1 7288728 RFQBMBDANMZELV-UHFFFAOYSA-N 351.431 4.345 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 7759874 QSGQRLBEYQRXBI-JXMROGBWSA-N 374.227 4.373 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NCc1cn2ccccc2n1 7798931 DVVCWUHYROZZEU-UHFFFAOYSA-N 355.441 4.173 0 40 FIAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1C(F)(F)F 7878466 ZJPIKBZYGMDRSD-NSHDSACASA-N 354.397 4.325 0 40 FIAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c2ccccc12 8076463 SXJPEXNFEMZRKB-LJQANCHMSA-N 364.445 4.008 0 40 FIAB COc1ccc(CN(Cn2nc(-c3ccccc3)[nH]c2=S)C2CC2)cc1 8148412 LMJAZARNZZYQRV-UHFFFAOYSA-N 366.490 4.238 0 40 FIAB c1ccc(-n2c(SCCc3ccncc3)nnc2-c2ccncc2)cc1 8780436 AUHNOQYTRGDPJE-UHFFFAOYSA-N 359.458 4.059 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccccc3F)ccc21 9164727 UZUNLVHTLNXIJF-UHFFFAOYSA-N 354.425 4.403 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NC(C)(C)C 9667414 HLNKRLLSFWDYIK-UHFFFAOYSA-N 360.841 4.129 0 40 FIAB Cc1ccc(C[C@H](S[C@@H](CC(=O)O)c2ccc(F)cc2)C(=O)O)cc1 12274233 CEQDKWGXAVOCGK-IRXDYDNUSA-N 362.422 4.079 0 40 FIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](CO)c1ccccc1 12388863 LJFIHRMKFBXEMS-MRXNPFEDSA-N 372.877 4.235 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2ccccc2n1 12555301 OBQRMBQZEQPVAY-SYNHAJSKSA-N 369.461 4.396 0 40 FIAB O=C(Nc1ccccc1)c1oc2ccccc2c1CSc1ncn[nH]1 12621893 BENRVWSCFGLZCJ-UHFFFAOYSA-N 350.403 4.096 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 12769590 JSTHNWJGERYQGQ-LLVKDONJSA-N 373.378 4.397 0 40 FIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)cc1F 12792595 IVRUBVMFZVLOTN-BETUJISGSA-N 361.486 4.321 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)c(OC)c1 12797404 YNUGPOCOFQMFSI-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc2c(s1)CCCCC2 12829196 RPUYGOZUGOHEDM-UHFFFAOYSA-N 370.503 4.491 0 40 FIAB COc1cccc(-c2nc(-c3ccc(NC(C)=O)cc3)cs2)c1OC 12872389 BODRDLAYWUSDST-UHFFFAOYSA-N 354.431 4.453 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2csc(-c3ccccc3)n2)cc1 12993393 PVIVCXXPHKIRRE-UHFFFAOYSA-N 352.459 4.481 0 40 FIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cc(F)cc(F)c1 12997936 XHSWOGFTDUCVAK-UHFFFAOYSA-N 362.401 4.260 0 40 FIAB Cc1cc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(C)o1 13331833 JBOFKFMQTONFGT-UHFFFAOYSA-N 353.249 4.166 0 40 FIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13646205 JVDIKLADFCALHB-OAHLLOKOSA-N 355.478 4.421 0 40 FIAB Fc1ccc(CN(Cn2nc(-c3ccncc3)oc2=S)C2CC2)cc1 14121054 UZCRQHCCAJTETJ-UHFFFAOYSA-N 356.426 4.029 0 40 FIAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccc2ncsc2c1 15319527 USOZECDYYLYDSU-UHFFFAOYSA-N 365.458 4.221 0 40 FIAB Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1 19237081 FUQKXBUWSIGLHB-NRFANRHFSA-N 374.488 4.087 0 40 FIAB c1cncc(-c2nnc(C3CCN(Cc4ccc5ncccc5c4)CC3)o2)c1 19347005 CFEQCJGIQVJLIY-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB CCc1c(C)noc1-c1snnc1C1CCN(CC2CCCC2)CC1 19521795 BVJDRILXLRDIET-UHFFFAOYSA-N 360.527 4.434 0 40 FIAB O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 19901635 UCTMZAKLYHRQGZ-CYBMUJFWSA-N 370.107 4.252 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccccc1OC 20043904 QZFUAQCRQWCFOD-LJQANCHMSA-N 355.478 4.218 0 40 FIAB Fc1cccc(Cl)c1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 23731104 VJFAKCHGDNZTSN-UHFFFAOYSA-N 373.781 4.215 0 40 FIAB Cc1cccc(NC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1 27355236 KEFPEJCSYXVYDK-FQEVSTJZSA-N 360.461 4.439 0 40 FIAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cccs1 28574383 OIQNPQZHNJCMHC-UHFFFAOYSA-N 351.353 4.264 0 40 FIAB FC(F)(F)c1ccnc(N2CCC[C@H]2c2nc3ccccc3s2)n1 29525245 XSRPBCWDBFXDHM-NSHDSACASA-N 350.369 4.447 0 40 FIAB COc1cccc2c1N(C(=O)Cc1csc(-c3cccs3)n1)CCC2 30575077 SLASRXSSRVZEPO-UHFFFAOYSA-N 370.499 4.402 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1 30866344 HAQSTJFBXIBHTC-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB Cc1cccc(OCCNC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c1 31033839 NUUXFESHIJEFFP-UHFFFAOYSA-N 369.465 4.180 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)o1 32593606 GCUGRKLYSSNPPY-UHFFFAOYSA-N 361.806 4.018 0 40 FIAB Cc1ccc(-c2nc(CC(=O)N[C@H](C)c3ccc(F)c(F)c3)cs2)o1 32816126 SECHJYSJEGJKOY-LLVKDONJSA-N 362.401 4.410 0 40 FIAB CC1CCN([C@H](CNC(=O)c2ccccc2C(F)(F)F)C(C)C)CC1 40090762 JLHFXBPYTRUOCR-QGZVFWFLSA-N 356.432 4.192 0 40 FIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccsc1 40108480 BRNJGAHSMHZIOI-LBPRGKRZSA-N 352.297 4.191 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 43278195 WVHMSKDQXGHISF-UHFFFAOYSA-N 366.339 4.156 0 40 FIAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@@H]1c1ccsc1 46911955 BPKGZWNWWKEQHN-CQSZACIVSA-N 359.476 4.156 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(OC(C)C)nc1 48265076 BBXPUKIYBWMCKY-UHFFFAOYSA-N 369.852 4.309 0 40 FIAB O=C(Nc1ccncc1)c1csc(-c2cc(Br)cs2)n1 48761714 NIVFFZPEVILIKT-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H](c1ccccc1)n1cccc1 49030848 KVMKUYGZKFQXEE-SFHVURJKSA-N 360.442 4.235 0 40 FIAB O=C(CCC(=O)N1CCC[C@H](COCc2ccccc2)C1)c1ccccc1 49031460 YIKODMKHOIKBJQ-FQEVSTJZSA-N 365.473 4.105 0 40 FIAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2cccc(Cl)c2)CC1 57395822 JJXYUSIQKAYSIP-ZDUSSCGKSA-N 374.897 4.335 0 40 FIAB Cc1cc(C(=O)CSc2ccc3ccccc3c2)c(C)n1-c1ncn[nH]1 57530507 RJVMSDYVJCOEFM-UHFFFAOYSA-N 362.458 4.340 0 40 FIAB O=C(COC1CCCCC1)Nc1nc(-c2cccc(Cl)c2)ns1 65813609 YJOWPPRLSDAWKA-UHFFFAOYSA-N 351.859 4.146 0 40 FIAB C[C@@H](COCC(F)(F)F)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 67532862 LDEGXPUISSHYFE-SMDDNHRTSA-N 364.795 4.154 0 40 FIAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3o2)CC1 70040196 BVQKJZCGHDKZEO-IBGZPJMESA-N 367.493 4.225 0 40 FIAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 72288767 WXJVAXQYGPRQAO-QGZVFWFLSA-N 365.477 4.490 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCN1CC[C@]2(CC[C@@H](C)C2)C1 96006570 QGIYLVMWGWLFAE-KUHUBIRLSA-N 350.890 4.189 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 107842602 LASXODFXASXNDC-OAHLLOKOSA-N 353.853 4.277 0 40 FIAB CCOC(=O)c1ccc(N[C@H](C)Cc2ccco2)c(Br)c1 109795974 UBXOPNZWSPGOAW-LLVKDONJSA-N 352.228 4.262 0 40 FIAB CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@H]12 141643831 QZQZISHGPPUQIL-PYTWLRIVSA-N 372.262 4.015 0 40 FIAB O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCOc2ccc(Cl)cc21 172683508 QSFVRVDHSZOEJY-UHFFFAOYSA-N 372.783 4.102 0 40 FIAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)o1 216847405 AWBFNZYXOIDWHM-UHFFFAOYSA-N 354.168 4.344 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccccc2)s1 224425655 GFYTVEIBHNZDPV-MRXNPFEDSA-N 353.447 4.310 0 40 FIAB CCCCOCc1cc(C(=O)NCc2ccccc2OC)ccc1OCC 224731007 JCZONTQVDOYOEO-UHFFFAOYSA-N 371.477 4.341 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(OC)cc3)oc2c1 226284068 RFIMSALGZRUKGS-UHFFFAOYSA-N 364.323 4.419 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(C(=O)O)o3)c2)cc1 226356005 LKEXCHYQYPYWON-UHFFFAOYSA-N 365.385 4.468 0 40 FIAB O=C(CSCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccccc1 409008446 YQUPFGRPMZUHRD-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB O=c1c(-c2ccccc2)cncn1Cc1coc(-c2cccc(Cl)c2)n1 509632183 HYHBNPFQJKKDQQ-UHFFFAOYSA-N 363.804 4.267 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccc2ncsc2c1 585148075 NFILTKGBYIZJJH-QGZVFWFLSA-N 364.426 4.020 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C[C@H](C)c2c(C)noc2C)cc1 677148826 CUWZHRWLCKWZHK-XQAUZQBESA-N 356.466 4.130 0 40 FIAB CC(=O)N1CCC[C@@H]1c1noc(C2(c3ccc(C(C)C)cc3)CCC2)n1 1118997105 WJUFMHVRLISCRD-GOSISDBHSA-N 353.466 4.346 0 40 FIAB C[C@H](NC(=O)c1ccccc1N1CCCC1=O)c1nc(C(C)(C)C)cs1 1321614203 PGCBPYXBFPMTJT-ZDUSSCGKSA-N 371.506 4.058 0 40 FIAB O=C(N[C@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1cnn2c1NCCC2 1627354538 MAJYMNDFSKCMEK-WMZOPIPTSA-N 372.900 4.198 0 40 FIAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2ccccc2Cl)C1 2037909296 NTAOTSWARFVODE-HXUWFJFHSA-N 359.853 4.040 0 40 FIAB CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@@H](C)C2 669095 GSCVEXBIKNHITM-CYBMUJFWSA-N 373.474 4.067 0 40 FIAB CCCc1nc2ccccc2n1C[C@H](O)COc1c(C)cc(C)cc1C 708884 YJRQOSQGWJTERI-SFHVURJKSA-N 352.478 4.354 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 712842 CCEIILIGKCSTOU-GOSISDBHSA-N 350.462 4.166 0 40 FIAB O=C(c1ccccc1F)N1CCN(C2CCC(c3ccccc3)CC2)CC1 893440 LMMQHOADDMEWDH-UHFFFAOYSA-N 366.480 4.310 0 40 FIAB CC(=O)O[C@]12Oc3cc(OCc4ccccc4)ccc3C(C)=C1C[C@@H](C)O2 968750 SDLJMPWAFSRIAU-PEBXRYMYSA-N 366.413 4.457 0 40 FIAB biogenic CCSc1nc(NC(N)=O)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 2292939 DJWWYIPGHUNYHW-VIFPVBQESA-N 364.540 4.445 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)CCc3ccccc3)n2)c1 2639523 WUTTYARVXCPOSF-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB CSc1cccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 2649535 JTXUHLSLSSDDHL-OAHLLOKOSA-N 360.866 4.114 0 40 FIAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 2714930 CMEUUZAKXIYHSL-UHFFFAOYSA-N 358.445 4.454 0 40 FIAB CCc1ccc(C(=O)COC(=O)CCc2nc3ccccc3s2)cc1 3274539 KYCXTYDZFZFUAT-UHFFFAOYSA-N 353.443 4.217 0 40 FIAB CC(C)N(C(=O)COC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 3296784 TUAULIHEUUVBSF-UHFFFAOYSA-N 365.351 4.304 0 40 FIAB O=C(c1ccccc1)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 3359557 YUSKBQZUEPGLFG-HXUWFJFHSA-N 372.453 4.379 0 40 FIAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1 4036342 XFYYXLNRNZMKJG-UHFFFAOYSA-N 367.455 4.159 0 40 FIAB CCCCC(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1C 4122480 UEKAWARPNHVCKO-UHFFFAOYSA-N 368.462 4.201 0 40 FIAB C[C@@H]1CCc2c(sc(Nc3nc4ccc(F)cc4s3)c2C(N)=O)C1 4137779 FXKHCEPUGXTTCI-MRVPVSSYSA-N 361.467 4.464 0 40 FIAB COc1ccc(OC2=N/C(=C\c3ccco3)C(=O)N2c2ccccc2)cc1 4664736 WXVMNRPCLTXZRZ-RGEXLXHISA-N 360.369 4.111 0 40 FIAB O=C(Nc1ncnc2sc3c(c12)CCCCC3)C(Cl)(Cl)Cl 4837330 RRRXKEKTTGKUAE-UHFFFAOYSA-N 364.685 4.269 0 40 FIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)OCCCc1cccnc1 5200928 SUBZFPWYZJMXRC-UHFFFAOYSA-N 365.429 4.261 0 40 FIAB c1ccc(-c2nn3c(CN4CCCCCC4)nnc3c3ccccc23)cc1 5244079 HJGGJDBHXBIAET-UHFFFAOYSA-N 357.461 4.321 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 5477808 SYUSEOYDYDWYAX-FQUZHUSPSA-N 354.277 4.160 0 40 FIAB CCCCCc1nnc(NC(=O)Cc2coc3cc(OC)ccc23)s1 5617007 RIGDXXDYNGVWDS-UHFFFAOYSA-N 359.451 4.207 0 40 FIAB O=C1c2cccc3cccc(c23)C(=O)N1c1ccccc1Br 5771419 XGMNHEWPKQRSKO-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB COc1ccc(N2NC(c3ccccc3)(c3ccccc3)[C@@H](C)C2=O)cc1 6004695 IGVATZBOONVYEJ-KRWDZBQOSA-N 358.441 4.126 0 40 FIAB CC(=O)c1cccc(NC(=O)Cn2ccc3cc(Br)ccc32)c1 6297542 CYNOSUJEGUBFGE-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB Cc1cc(CNC(=O)CSc2cc(C)c3ccccc3n2)cc(C)c1O 6831000 FGVBBKUFBIERJL-UHFFFAOYSA-N 366.486 4.274 0 40 FIAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccccc1F 6996793 OQBKPESQUDNJIX-UHFFFAOYSA-N 366.179 4.093 0 40 FIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(F)cc2)c1 7425105 HJCSOZYOUFURAT-UHFFFAOYSA-N 373.380 4.212 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 7495465 IUTKCGINVXLWMJ-HXUWFJFHSA-N 372.896 4.155 0 40 FIAB S=c1[nH]nc(-c2ccncc2)n1NCc1cccc(Cl)c1Cl 7602065 CHSAPURQIMYRDF-UHFFFAOYSA-N 352.250 4.053 0 40 FIAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 7609645 ABAJUZMNUZVGES-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c(C)c1 7928041 HDCDZTMYYRDVFY-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 7928663 ZAXBRSBXRIXICW-QGZVFWFLSA-N 351.446 4.385 0 40 FIAB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)C(F)(F)F 8071131 BGYKPUGDAHVTRI-UHFFFAOYSA-N 356.307 4.075 0 40 FIAB COc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)cc1OC 8129962 VMXPLPHGNGSRAQ-UHFFFAOYSA-N 369.402 4.187 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1F 8497522 WUXGZCHYIWRQJS-SNVBAGLBSA-N 368.202 4.003 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1 8539134 QALVVJNRVCEROT-UHFFFAOYSA-N 352.478 4.302 0 40 FIAB Cc1ccc(NCc2cc(=O)n3c(C)csc3n2)cc1C(F)(F)F 8705805 JEYMFKAFQOXCOD-UHFFFAOYSA-N 353.369 4.004 0 40 FIAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(NC(=O)c2ccco2)cc1 8719074 VHBBBAWALDPFQI-LJQANCHMSA-N 360.413 4.339 0 40 FIAB Clc1ccc(CSc2nnnn2Cc2cccs2)c(Cl)c1 9482390 CRPBJKBXTVLATI-UHFFFAOYSA-N 357.291 4.382 0 40 FIAB CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C)c(C)c2)CC1 9601617 KWSRQUDFKYNTCG-UHFFFAOYSA-N 371.912 4.351 0 40 FIAB O=C(NCCC1=CCCCC1)NCc1ccc(COCC(F)(F)F)cc1 9756782 YLNNBRZXDMJZFJ-UHFFFAOYSA-N 370.415 4.455 0 40 FIAB Cc1nc(/C=C/C(=O)N[C@H](C)c2ccccc2Br)cs1 12230050 LFHKFURTTRVCAC-QROSGCPLSA-N 351.269 4.105 0 40 FIAB CCOC(=O)c1cc(CC)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12399136 JRKYMBOTXRUAPP-UHFFFAOYSA-N 353.397 4.176 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1n[nH]c2ccccc12 12507768 LMXSMRYBJPRJCK-UHFFFAOYSA-N 371.444 4.354 0 40 FIAB CCOc1cc(/C=C/C(=O)N(C)Cc2ccccc2)cc(Cl)c1OC 12731969 UVWORJPTXSJARB-ZHACJKMWSA-N 359.853 4.419 0 40 FIAB CN(Cc1ccco1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 12998011 COQOWZNETVPYLZ-UHFFFAOYSA-N 362.838 4.241 0 40 FIAB CCOC(=O)c1cc(NC(=O)/C=C/c2ccc(OC)cc2)ccc1Cl 19931358 VRIHTXFRMKKSRW-IZZDOVSWSA-N 359.809 4.177 0 40 FIAB O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCc2ccccc2C1 20100376 WBSGWIDVFZFIQT-UHFFFAOYSA-N 368.908 4.137 0 40 FIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1Cc2ccccc2S1 21436836 ZUJDCNAMOBGNBJ-INIZCTEOSA-N 366.408 4.427 0 40 FIAB Cc1nc2cc(NC(=O)c3cc(C(C)C)nc4c3c(C)nn4C)ccc2o1 22508817 RMZUPDSJBKIUFB-UHFFFAOYSA-N 363.421 4.102 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccnn2Cc2ccccc2)cc1 23228454 QXGUBELMNFYLTR-UHFFFAOYSA-N 363.461 4.246 0 40 FIAB COc1ccccc1CCC(=O)NCc1ccc(-c2csc(C)n2)cc1 24342289 XNDSJYLWCVLUPL-UHFFFAOYSA-N 366.486 4.376 0 40 FIAB CC(C)CC(=O)Nc1ccc(NCc2nc(-c3ccsc3)no2)cc1 24981305 ODSVQFRLAMONAC-UHFFFAOYSA-N 356.451 4.395 0 40 FIAB CCc1ccc([C@H](CNC(=O)c2ccc(CSC)cc2)N(C)C)cc1 27596285 ORPRHZIOHVGVIC-FQEVSTJZSA-N 356.535 4.145 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c2cccnc12 28402901 RVMGNELIEQZAKA-CYBMUJFWSA-N 354.381 4.179 0 40 FIAB COc1ccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 28579233 XADRUFXTECEESV-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 28652498 YEZIJIYWOAGXRQ-AVRDEDQJSA-N 372.468 4.425 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2-n2ccnc2)cc1 30867936 CKTSDKYIGCPHBP-UHFFFAOYSA-N 361.489 4.419 0 40 FIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1nc(Cl)ccc1Cl 32824801 RLCCTXPXBCUQQI-UHFFFAOYSA-N 364.232 4.158 0 40 FIAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccccc1Cl 35312974 MVWZPRPHLXZGPG-UHFFFAOYSA-N 368.868 4.034 0 40 FIAB CC(C)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 37385875 DLCASRDVUDGYSE-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB CC1(C)OC(=O)C(CCc2ccccc2)(CCc2ccccc2)C(=O)O1 39379136 ZBNKZEWDUBBQTK-UHFFFAOYSA-N 352.430 4.075 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3cc(F)c(F)c(F)c3)c3c(nc21)CCC3 40283803 JYIRQVIMDATKSI-UHFFFAOYSA-N 374.366 4.171 0 40 FIAB C[C@H]1CCCC[C@@H]1n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387694 NFWBOFDPNVYQFM-KXBFYZLASA-N 358.445 4.462 0 40 FIAB O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccccc1Nc1ccccc1 43727529 DQZAZFFWYUWSIA-UHFFFAOYSA-N 372.428 4.212 0 40 FIAB Cc1cccc(Cl)c1NC(=O)CSc1nnc(-c2cccs2)o1 51319204 GXCVBTYYWXCZKZ-UHFFFAOYSA-N 365.867 4.491 0 40 FIAB COc1ccccc1NC(=O)CN[C@@H](c1ccc(F)cc1)c1cccs1 57318512 KISGJDFCIYDJND-FQEVSTJZSA-N 370.449 4.214 0 40 FIAB CC(C)COC(=O)Nc1cccc(NCc2nc(-c3ccco3)no2)c1 58194645 BJEIJQABCCBMDY-UHFFFAOYSA-N 356.382 4.146 0 40 FIAB O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cnc(-c2ccccc2)nc1 65512862 OGUAQOYQKBMQBJ-UHFFFAOYSA-N 362.408 4.135 0 40 FIAB Cn1c(C(=O)Oc2ccc(C(=O)Nc3cccnc3)cc2)cc2ccccc21 66036310 HUYCGPHFWWVCKA-UHFFFAOYSA-N 371.396 4.045 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@@H](CSc2cccc(Br)n2)C1 83323396 RSINZTBCANNEPQ-LLVKDONJSA-N 373.316 4.193 0 40 FIAB Cc1nc(Cl)ccc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 84028783 UIGJMIVVWDLKOL-ZDUSSCGKSA-N 355.825 4.204 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)s1 84205610 GVOHJODKYPHZOT-CQSZACIVSA-N 355.912 4.106 0 40 FIAB CCOc1c(Cl)cc(CNC(=O)c2scnc2C2CC2)cc1OC 89759942 VFLVHAFQJSYTAD-UHFFFAOYSA-N 366.870 4.011 0 40 FIAB CCCOc1ccccc1NC(=O)CCC(=O)N[C@H](C)c1ccccc1 89960344 SREUIVIOBCUCKR-MRXNPFEDSA-N 354.450 4.072 0 40 FIAB O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 96047019 RVFNSQLQERHRAF-HXUWFJFHSA-N 358.482 4.016 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(O)cc3)c3ccccc3C2=O)cc1 102256283 SWQFCWZTDYOWSP-STZFKDTASA-N 370.408 4.341 0 40 FIAB CCCCn1cc([C@H]2CC(=O)N(c3ccccc3O)C2=O)c2ccccc21 103105821 CCZOCIXYUSOJDT-MRXNPFEDSA-N 362.429 4.194 0 40 FIAB COc1ccccc1-c1c(C)nn2c(=N)c(-c3ccc(Cl)cc3)c[nH]c12 105893670 CSMNPHSDMHGTNL-UHFFFAOYSA-N 364.836 4.446 0 40 FIAB CCOc1ccccc1[C@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222667869 UYDQDJDBWUKODL-ZMYBRWDISA-N 353.491 4.460 0 40 FIAB O=C(c1ccccc1NC(=S)Nc1ccc(F)cc1)N1CCCCC1 225459691 ACHGAONMYIXGHI-UHFFFAOYSA-N 357.454 4.261 0 40 FIAB Cc1ccccc1[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)C(C)C 225760985 IPWCYKJNKWDIMU-LJQANCHMSA-N 356.491 4.450 0 40 FIAB Cc1ccc(CCCC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)s1 257173427 MSUKONDCJKEUSF-UHFFFAOYSA-N 358.463 4.127 0 40 FIAB O=C(c1ccccc1)N1CC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257321360 WBICUMRKSSXKPO-KRWDZBQOSA-N 350.393 4.034 0 40 FIAB COc1ccc(Cl)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260778629 RWESUUNERWELMM-SSKCKEOISA-N 359.882 4.333 0 40 FIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1OC 408563364 VMJCQLZCEMBVRK-MRCUWXFGSA-N 352.459 4.295 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 408702100 CARVCCRKQPATPB-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CC(=O)c1c(C)oc2c(C)c(C)c(NS(=O)(=O)c3ccccc3)cc12 585152483 NKZWNTRGLGBERM-UHFFFAOYSA-N 357.431 4.361 0 40 FIAB C[C@H](NC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C)c1ccc(F)cc1 604394416 LKRYXJDRJIYSIA-NHAYFPRASA-N 354.469 4.269 0 40 FIAB COC[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 1540172422 AAAPMDKSUOQRHY-QRVBRYPASA-N 361.844 4.477 0 40 FIAB Cc1ncn(-c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)c1C 1556824725 RHPNMWVSQIRBOX-UHFFFAOYSA-N 363.446 4.193 0 40 FIAB O=C(CSCC(=O)c1ccc(Br)cc1)Nc1ccccc1 728325 OXAVRTSXGMRQAZ-UHFFFAOYSA-N 364.264 4.004 0 40 FIAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccc(C(F)(F)F)c1 800652 ZJDMMWPUDZBUFC-UHFFFAOYSA-N 370.330 4.458 0 40 FIAB O=C(NC(=S)Nc1ccccc1O)c1sc2ccccc2c1Cl 819754 NXZQWNFZOVNKSK-UHFFFAOYSA-N 362.863 4.387 0 40 FIAB COc1cccc(NC(=O)c2cccc(Cn3nc(C)c(Cl)c3C)c2)c1 1069234 HWPSVAHIVYSRMY-UHFFFAOYSA-N 369.852 4.463 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 1259693 SWJNUBHFLKJDHV-UHFFFAOYSA-N 372.515 4.329 0 40 FIAB Cc1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 1321085 BGEMQHVYMBCSCE-OAHLLOKOSA-N 367.518 4.361 0 40 FIAB COC(=O)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1 2198014 HLAVQVUESAMUEE-UHFFFAOYSA-N 374.190 4.234 0 40 FIAB Ic1ccc(Nc2ncnc3sccc23)cc1 3303542 VHRWLZMYERZAEZ-UHFFFAOYSA-N 353.188 4.040 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cccc(Cl)c1 3475118 YXKFZGHKUIBYJE-UHFFFAOYSA-N 351.840 4.182 0 40 FIAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]21 4026173 ZZLUZIDJVCYWKL-QUKLZRQSSA-N 374.521 4.345 0 40 FIAB biogenic COc1cc2nc(NC(=O)CCSc3ccccc3)sc2cc1OC 4479923 MYAJQPHPYUCCKH-UHFFFAOYSA-N 374.487 4.434 0 40 FIAB COc1cccc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 4480516 GICMNQCFHFYERH-YFVFXCHESA-N 354.277 4.490 0 40 FIAB O=c1nc(SCc2cccc3ccccc23)nc2ccc(Cl)cn12 4504287 RLRYDNJVHYGWGG-UHFFFAOYSA-N 353.834 4.188 0 40 FIAB CC(=O)O[C@@H]1CCC2=C(CC[C@@H](F)[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C1 4962087 SACAISKSNDEHAS-BTZQCHDMSA-N 350.474 4.334 0 40 FIAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1N1CCCC1 5089897 BOAAQGPEKPXGDL-UHFFFAOYSA-N 368.477 4.483 0 40 FIAB O=C(Nc1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 5265488 FQSSYYCQQYATSF-UHFFFAOYSA-N 354.841 4.175 0 40 FIAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccccc2)cc1 5482733 GPNVEYYRBJEHRQ-JOCHJYFZSA-N 374.415 4.255 0 40 FIAB CC(C)[C@@H](NCCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 5835934 SDPSRWQRMDXBED-HXUWFJFHSA-N 366.513 4.189 0 40 FIAB Cn1c(SCCCC(=O)c2cccs2)nnc1-c1ccc(F)cc1 6913049 MEASJNKNUJKKCW-UHFFFAOYSA-N 361.467 4.438 0 40 FIAB COc1ccc(C(=O)Nc2ncnc3sc4c(c23)CCCCC4)cc1 7067589 AALSTIXAORLDSK-UHFFFAOYSA-N 353.447 4.221 0 40 FIAB O=C(COc1ccc(F)c(F)c1)N[C@@H](c1ccccc1)c1cccs1 7401600 HYFOTQJDQOVKMQ-IBGZPJMESA-N 359.397 4.311 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8041081 MVGCGEAHXHOKMH-IAGOWNOFSA-N 368.477 4.238 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 8041426 QLTHSJCUBZGEJJ-HNAYVOBHSA-N 354.450 4.011 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(Cl)c2)c(C)n1 8050590 WEMWLXBUEZSJPU-NSHDSACASA-N 363.914 4.279 0 40 FIAB CCc1ccc2c(CSc3nc(-c4cccs4)n[nH]3)cc(=O)oc2c1 8338757 VHEPUMGNEYWNDW-UHFFFAOYSA-N 369.471 4.494 0 40 FIAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc2ncsc2c1 8342387 ZSAFDICFISYKTG-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB O=C(CSc1ncnc2sccc12)N[C@@H]1CCSc2ccccc21 8344876 QCQBQBMWQDBCCW-CYBMUJFWSA-N 373.528 4.137 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Oc3cccc(C)c3C)o2)cc1 8587361 DVPXPIFITOLSGU-UHFFFAOYSA-N 370.430 4.060 0 40 FIAB aggregator O=C(COc1ccccc1)NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 8654824 OCQKNFRKSZKYEO-FQEVSTJZSA-N 372.896 4.062 0 40 FIAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc(Cl)cn2)cc1 8723746 SUESVRZPNUDDJO-GOSISDBHSA-N 373.884 4.299 0 40 FIAB CCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 9063950 ZTAISTCWQCYAIR-UHFFFAOYSA-N 358.854 4.106 0 40 FIAB COc1cc(CNc2cccc3nc(C(F)(F)F)[nH]c23)cc(OC)c1 12476676 FZXVZVWURVQZFW-UHFFFAOYSA-N 351.328 4.211 0 40 FIAB CCCn1ccnc1SCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 12601649 BMHSAPKXHVZMDM-KMYSJOAASA-N 361.555 4.106 0 40 FIAB C[C@H]1c2ccsc2CCN1CC(=O)N(C)Cc1c(F)cccc1Cl 12799259 OMCROOPTROJTEQ-LBPRGKRZSA-N 366.889 4.118 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 13006856 CCNKGIYKGRGJKG-IFXJQAMLSA-N 359.853 4.480 0 40 FIAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 13096214 NPHUMFINLOJGRJ-ZDUSSCGKSA-N 366.383 4.173 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 13710622 CGVHZZRGZJYNRR-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ccco3)s2)cc1OC 14109915 ACHYBDNSTQYUJB-UHFFFAOYSA-N 372.446 4.001 0 40 FIAB Cc1ccccc1/C=C/c1nc(S[C@@H](C)C(=O)N2CCC(C)CC2)n[nH]1 14159039 NKEYYYFUQFKTGR-FDMDGMSGSA-N 370.522 4.023 0 40 FIAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCCCC1 14162909 UTLOPPCXKRNXJE-UHFFFAOYSA-N 350.871 4.310 0 40 FIAB COc1cc(C(C)=O)ccc1OCC(=O)N(Cc1ccccc1)C(C)(C)C 14351387 SCSWSAQQGUCEAH-UHFFFAOYSA-N 369.461 4.104 0 40 FIAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 14609390 VCELRQDXYXBRRN-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCC2)o1 15860207 VOJGLOHFDUAJRO-LIPMQLJGSA-N 370.537 4.448 0 40 FIAB CNC(=S)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 18144272 LEIIVPPKOGRNBT-UHFFFAOYSA-N 373.547 4.266 0 40 FIAB Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccc(F)cc4)o3)n2)c1 19927566 OYUSAHJWXSPOTP-UHFFFAOYSA-N 367.409 4.262 0 40 FIAB CCN1CCN(Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)CC1 22877272 FSUUEVPKEDJMBW-UHFFFAOYSA-N 374.912 4.065 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)OCc1nc2ccccc2o1 24272880 HMYSZMZAQSBNMB-UHFFFAOYSA-N 350.399 4.237 0 40 FIAB Cc1ccc(CNC(=O)c2cccc(OCc3cscn3)c2)cc1F 24285420 ROHOTAZCAPLLEZ-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)CCC(=O)N2 24537499 RGNKOKNJDYINLP-UHFFFAOYSA-N 352.434 4.130 0 40 FIAB C[C@@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)c1ccc(Cl)cc1 25108430 BRNFPTXOWUWUQX-HWPZZCPQSA-N 365.212 4.112 0 40 FIAB COc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCCC3)cc1 27788734 NHWDLEKTDXQXDQ-UHFFFAOYSA-N 371.407 4.378 0 40 FIAB CCCn1c(NC(=O)Nc2cc(OC)ccc2OC)nc2ccccc21 27923586 BYPYNLZAZAXBOB-UHFFFAOYSA-N 354.410 4.108 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccc(C)cc1 28291467 ZRHIEEQBOYYBQU-IBGZPJMESA-N 367.424 4.175 0 40 FIAB Cc1cc(C)cc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)c1 28292140 YWDWRLPKRVDVCD-UHFFFAOYSA-N 364.420 4.450 0 40 FIAB CC[C@@H](CNC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccccc1 33220069 VOLHOXHFQLENQG-KRWDZBQOSA-N 363.461 4.369 0 40 FIAB Cc1c(Cl)cccc1NC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 39963286 SSJPFJRWQZCEIK-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB CCc1nnc(NC(=O)c2cccnc2SCc2ccc(F)cc2)s1 40128757 HYXPPNGETRETED-UHFFFAOYSA-N 374.466 4.179 0 40 FIAB CC[C@H](CO)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 41096207 TZMABZRNURYTPV-MRXNPFEDSA-N 355.544 4.106 0 40 FIAB CCn1c(SCC(=O)Nc2cccs2)nnc1-c1cccc(C)c1C 41124438 MMQCIRHNYHLPBX-UHFFFAOYSA-N 372.519 4.374 0 40 FIAB CCCCCc1nnc(NC(=O)c2oc(Br)cc2C)s1 44285338 NVPIYYRXUPUBBB-UHFFFAOYSA-N 358.261 4.187 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44850423 FRPPGCSNJPZPAB-INIZCTEOSA-N 365.788 4.062 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 44884847 KSRKYKDZUVCRHQ-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CCOCCCn1c(SCc2ccccc2F)nc2ccccc2c1=O 67259169 UOJCPJOOZUOUMT-UHFFFAOYSA-N 372.465 4.255 0 40 FIAB Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)CC(C)C)ccc12 72325432 CZNYGERMSKCADP-UHFFFAOYSA-N 352.390 4.273 0 40 FIAB biogenic CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C)cc1Cl 72329348 AQKIRQPLQYWEAA-UHFFFAOYSA-N 369.852 4.367 0 40 FIAB COc1cccc(N2CCN([C@H](C)Cc3nc4ccccc4s3)CC2)c1 75105707 ZDACJTPQAFCZNN-MRXNPFEDSA-N 367.518 4.058 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)[C@@H]1C[C@H]1c1ccco1 84017162 XWSKKPPINKKQHT-HUUCEWRRSA-N 356.809 4.274 0 40 FIAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(=O)[nH]c1 84559927 JDSFBJRTWKJKNR-UHFFFAOYSA-N 373.437 4.418 0 40 FIAB CN(Cc1cccc(C(F)(F)F)c1)Cc1nc(-c2ccsc2)no1 89361501 FTYMFXHDMFXJGM-UHFFFAOYSA-N 353.369 4.449 0 40 FIAB Cc1cnn(-c2ccc([C@@H](C)N[C@H](C)c3cnc(C)nc3C)cc2F)c1 90118064 CVLIAODPVRRYJW-ZIAGYGMSSA-N 353.445 4.138 0 40 FIAB COCCn1c(C(=O)N2CCC[C@H]2C)cc2c1c1ccccc1n2C(C)C 96146363 AMEWLFDUISBOCM-MRXNPFEDSA-N 367.493 4.448 0 40 FIAB C[C@@H]1CC(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 97032367 OOKIRXUNBUFLDU-BRWVUGGUSA-N 353.462 4.193 0 40 FIAB CCn1cc(C(=O)N2CCc3c2cccc3C(F)(F)F)c(C(C)C)n1 97115813 UCKVVCWAVMYNQL-UHFFFAOYSA-N 351.372 4.248 0 40 FIAB Cc1nc2cc(C(=O)n3cccc/c3=N\C(C)C)ccc2n1-c1ccccc1 102197385 HQZXMOAOAQSITA-ZNTNEXAZSA-N 370.456 4.133 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 222808289 RECKQXBVNQRXJM-MOPGFXCFSA-N 354.523 4.381 0 40 FIAB Cc1ccc(OCCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 225179993 YVUUOAUDMJPCND-UHFFFAOYSA-N 351.368 4.489 0 40 FIAB CCOc1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)cc1 225702644 SZFPGDJAFLYIPJ-LJQANCHMSA-N 356.491 4.458 0 40 FIAB CCOc1cccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c1 225790868 JHVKYLHMYPBQOJ-MRXNPFEDSA-N 358.507 4.456 0 40 FIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N(C)c2ccc(F)cc2)n1 225916519 VUELGGMUOKICNZ-UHFFFAOYSA-N 350.397 4.253 0 40 FIAB C[C@H]1CCCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)[C@H]1C 247883934 SGHMKUYXKPWNIZ-HOTGVXAUSA-N 370.497 4.464 0 40 FIAB C[C@H](NC(=O)OCc1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 261508876 XWYCDJKTHMQJST-DOTOQJQBSA-N 362.470 4.091 0 40 FIAB c1coc(CN2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)c1 306128542 HDDLVMDHMMUDTP-MRXNPFEDSA-N 364.474 4.430 0 40 FIAB CCCN(CC)C(=O)c1ccc2c(c1)C1(CCO2)CCN(C(C)C)CC1 306135375 OPDVWUNWGHMOGJ-UHFFFAOYSA-N 358.526 4.083 0 40 FIAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)Cc1ccccc1F 575619531 GUOQZFZYYZUKCM-ZDUSSCGKSA-N 363.479 4.091 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)c2nn(-c3ccccc3)c3c2CCC3)o1 604732059 CLOUTQPRJPZYIJ-IBGZPJMESA-N 361.445 4.240 0 40 FIAB CCC(CC)(CNC(=O)C1CCN(CC(C)C)CC1)c1ccc(F)cc1 1557635236 WXTNCWIRCBJFAU-UHFFFAOYSA-N 362.533 4.368 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1 670384 PEAHMAMASZZAPP-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(C)C)cc1 752923 WICYBAPXEDPNDY-UHFFFAOYSA-N 350.418 4.361 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1C 846916 ABUSEUFVKGGTMT-HNNXBMFYSA-N 351.402 4.124 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1F 904708 JJZWQQZCROSVSX-UHFFFAOYSA-N 373.478 4.440 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccc(OC)cc1 954918 XXGDFMKPEYEDRU-SDNWHVSQSA-N 367.445 4.015 0 40 FIAB O=C(c1ccccc1Br)N1CCc2c([nH]c3ccccc23)C1 1059245 QJVYQOKXHZWPCC-UHFFFAOYSA-N 355.235 4.129 0 40 FIAB biogenic O=C(Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2)c1ccc(F)cc1 1326408 OWETVXLIBZHANX-CQSZACIVSA-N 366.417 4.447 0 40 FIAB CCCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 2220571 WPDLTKVGBKOTQR-UHFFFAOYSA-N 367.497 4.133 0 40 FIAB COc1ccc(CCNc2nc(C)nc3c2oc2ccccc23)cc1OC 2427377 FWSVTOZDJACBKM-UHFFFAOYSA-N 363.417 4.356 0 40 FIAB Cc1ccc(C(=O)OCCOc2ccccc2)cc1NC(=O)c1ccco1 2650706 WCPMQAOVUPMVAR-UHFFFAOYSA-N 365.385 4.076 0 40 FIAB O=C(NCCc1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 2721439 LSWYZIYANFJPKL-UHFFFAOYSA-N 373.431 4.196 0 40 FIAB COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCCC2 2773966 SLSCSEOQWGWXJE-UHFFFAOYSA-N 357.475 4.375 0 40 FIAB CCCN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 3356689 SVBPONYMMUDYMS-UHFFFAOYSA-N 356.470 4.029 0 40 FIAB CCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2ccccc21 4289519 YYFVRNDYSJKFFU-UHFFFAOYSA-N 356.447 4.048 0 40 FIAB COc1cccc(-c2nnc(NC(=O)CCSc3ccc(C)cc3)o2)c1 4496544 UXSORVQGNSGURE-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(C)cc1 4741184 VAASVKCNPBSVJZ-HNNXBMFYSA-N 356.491 4.401 0 40 FIAB CC(=O)O[C@H]1CCC2=C(CC[C@H](F)[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C1 4962086 SACAISKSNDEHAS-YKTOMCKGSA-N 350.474 4.334 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2ccccc2n1 4964076 OBQRMBQZEQPVAY-WRWLIDTKSA-N 369.461 4.396 0 40 FIAB COc1ccccc1-n1c(SCCC(C)=O)nnc1-c1cccs1 5171009 SWZWQDCTDQAVOT-UHFFFAOYSA-N 359.476 4.076 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCCCC1 5243058 SPEJUSDKFAJHGC-UHFFFAOYSA-N 363.486 4.401 0 40 FIAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3n2)c(C)c1 5848565 KWUHFTYVNXDWFA-INIZCTEOSA-N 362.429 4.344 0 40 FIAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1cc(Cl)ccc1Cl 6234912 QNMWJULALDCLTA-UHFFFAOYSA-N 360.306 4.241 0 40 FIAB CCCN(CCC)S(=O)(=O)c1cccc(-c2cn3cc(C)ccc3n2)c1 6244490 LZKCOFTYDUOWFV-UHFFFAOYSA-N 371.506 4.120 0 40 FIAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 7201041 IXJMGQRFTSBGRE-CQSZACIVSA-N 351.402 4.338 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 7996139 YOANJVJTPDVDLA-LBPRGKRZSA-N 372.475 4.074 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)c1C 8030665 NXBZLBGHZGSVJU-UHFFFAOYSA-N 370.518 4.345 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)c2ccc3c(c2)CCC3)cc1 8090295 SEZCHRHKVDDMOH-UHFFFAOYSA-N 363.486 4.348 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 8217234 QOLHWUBPFVHILR-GOSISDBHSA-N 350.462 4.111 0 40 FIAB C[C@H](Sc1ncc2ccccn12)C(=O)Nc1ncc(Cl)cc1Cl 8709987 AAIOENGKNVKWEM-VIFPVBQESA-N 367.261 4.155 0 40 FIAB COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cc1O 8923128 ZEWZFDDEDSRTTL-UHFFFAOYSA-N 353.399 4.274 0 40 FIAB COc1ccc2c(CC(=O)Nc3nc(-c4cccnc4)cs3)coc2c1 9157729 RHYMIAPQXJVVQF-UHFFFAOYSA-N 365.414 4.141 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 9190191 OHOCMXSGALCXBE-CYBMUJFWSA-N 373.909 4.446 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)NCCc1ccc(Cl)cc1 9456280 BJAONYVOBGFPSW-UHFFFAOYSA-N 359.882 4.334 0 40 FIAB CCc1ccc(CCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 10315344 IDFYWWFRTNOVBU-UHFFFAOYSA-N 370.924 4.492 0 40 FIAB COc1ccc(C2(NC(=O)[C@@H]3OCOc4ccccc43)CCCCC2)cc1 12197844 CMUPECBPCYYOIA-HXUWFJFHSA-N 367.445 4.079 0 40 FIAB COc1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1 12599194 IVHRQPGVODRTSU-UHFFFAOYSA-N 352.390 4.131 0 40 FIAB O=C(O)c1cccc(CSc2nnc(NCCc3ccccc3)s2)c1 12851738 CTIRNCVKWGZAGZ-UHFFFAOYSA-N 371.487 4.183 0 40 FIAB Cc1ccc(C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1O 12869092 CYKPRTIYPCAREK-UHFFFAOYSA-N 373.405 4.232 0 40 FIAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)N1CCCCC1 12931330 QTJAVDURTVCBCY-UHFFFAOYSA-N 350.871 4.241 0 40 FIAB FC(F)(F)c1cccc(NC(=S)Nc2ccc3c(c2)OCCO3)c1 13790770 NQBMPYVSQDVBDW-UHFFFAOYSA-N 354.353 4.286 0 40 FIAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2C)sc2c1CCCC2 13993697 ZXRJUUAEGHKCEY-ZDUSSCGKSA-N 373.474 4.128 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2)N1C[C@@H]1CCCO1 15503016 VOIATPNTZBHCRA-YJBOKZPZSA-N 374.387 4.034 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 16301157 GVMFOIIQQMSTHI-UHFFFAOYSA-N 358.157 4.398 0 40 FIAB Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1Cl 16312708 GOGJBAUXRAILEB-BLLLJJGKSA-N 374.790 4.291 0 40 FIAB Cc1ncsc1-c1nnc(C2CCN(Cc3ccc(F)cc3)CC2)o1 19563188 YLJSHNICZMWFNP-UHFFFAOYSA-N 358.442 4.020 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)COc1cccc2ccccc12 20106505 KQXIUBJITGJART-UHFFFAOYSA-N 371.440 4.029 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)cc1 20141705 CMRWYUOQINWRNE-UHFFFAOYSA-N 367.401 4.099 0 40 FIAB CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 20858411 HZSKYSWJICNDIS-MOPGFXCFSA-N 370.518 4.211 0 40 FIAB COc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 20897421 FUWUTVNIIZXBAS-ZDUSSCGKSA-N 374.506 4.320 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 21138164 QOCQWKOMCZSQQI-UHFFFAOYSA-N 355.196 4.087 0 40 FIAB CCN1CCc2nc(NC(=O)c3cc4c(s3)CCCCC4)sc2C1 21295355 PZWXZBZFCKMMGV-UHFFFAOYSA-N 361.536 4.104 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cn1 21635457 OPNGSGZICARMBG-NSHDSACASA-N 352.381 4.170 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)n1nnc(-c2ccc(C)cc2)n1 23971365 PMFVHYAESTVRQU-JKSUJKDBSA-N 363.465 4.362 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(C)c1 25666936 QTMIDPNZXCQENA-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1 27584405 CKFNWSSBDBXWEM-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB biogenic O=c1c2ccccc2[nH]c(=S)n1-c1ccc2c(c1)OC1(CCCCC1)O2 28812801 LJFNSPCATXUPSK-UHFFFAOYSA-N 366.442 4.480 0 40 FIAB O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 32610502 QACDBJLHTSBMME-UHFFFAOYSA-N 359.259 4.404 0 40 FIAB Cc1cccc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)c1C 32623636 GEIKUZNABQPKMI-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB c1ccc(-c2csc3ncnc(N[C@@H]4CCN5CCCC[C@@H]45)c23)cc1 32932663 SBUYOVDDXFAHBK-SJORKVTESA-N 350.491 4.397 0 40 FIAB O=C(O)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 38231206 QJSMFMHNXGZJOU-UHFFFAOYSA-N 368.436 4.350 0 40 FIAB O=C(CCOc1ccc(Cl)cc1)Nc1cccc(NC(=O)C2CC2)c1 40106556 RRQJLUPZUUCWAY-UHFFFAOYSA-N 358.825 4.096 0 40 FIAB Cc1cccc(C)c1OC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 46395652 PWFBHURZZHSDRN-UHFFFAOYSA-N 362.473 4.397 0 40 FIAB Cc1ccc(-c2cc3c(SCC(=O)NC(C)(C)C)nccn3n2)cc1C 67289965 HPYPNVQPKQPHFD-UHFFFAOYSA-N 368.506 4.020 0 40 FIAB Fc1ccccc1Cc1cccc([C@H]2CCCN(C3CCOCC3)C2)n1 72350095 STDCJOZGFPKCJO-SFHVURJKSA-N 354.469 4.170 0 40 FIAB Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H](C)Oc1ccccc1F 90592586 WBIMIQVHXGYMDV-AWEZNQCLSA-N 370.449 4.341 0 40 FIAB Fc1ccc2ncnc(NCc3ccccc3CN3CCCCC3)c2c1 97497498 NTCZYQKTXQKKCP-UHFFFAOYSA-N 350.441 4.367 0 40 FIAB CC(=O)OC[C@@]12CO[C@@H](c3ccccc3OC(C)=O)[C@H](C(C)=C[C@H]1C)[C@@H]2C 100742032 ZWLSDBYOOPGGSP-OBRVBKIOSA-N 372.461 4.081 0 40 FIAB Cc1cccc(N2CCN(C(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)CC2)c1 109008561 SYMKOGDMUADEFZ-BAGYTPMASA-N 372.553 4.121 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N1CCS[C@H](c2cccs2)CC1 219545859 LGAQQWLNJFTZLA-ZGUWOUCSSA-N 365.545 4.229 0 40 FIAB O=C(CCc1ccccc1Cl)NCC1(c2ccccc2)CCOCC1 223239937 OMKTUYKQSVGFQR-UHFFFAOYSA-N 357.881 4.137 0 40 FIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccc(F)cc1F 224291698 QWUQSHKHZYNCGY-UHFFFAOYSA-N 360.295 4.330 0 40 FIAB COc1cccc(OCCNC(=O)[C@@H](C)Cc2cccc3ccccc23)c1 224942319 AZOBZIHEEOSZHP-KRWDZBQOSA-N 363.457 4.222 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCc2ccccc21 224988935 OHLLRTJLTNSBLV-UHFFFAOYSA-N 372.896 4.066 0 40 FIAB COc1ccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c(OC)c1 225112242 LENRTDPGTFSZLV-LJQANCHMSA-N 358.434 4.076 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)N[C@H](C)CC 225344704 HDBSUGZLFQXCON-NEPJUHHUSA-N 359.297 4.035 0 40 FIAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@H](C)C1 225636257 TXRGIEXBGRNBBS-PGRDOPGGSA-N 374.525 4.085 0 40 FIAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)cc2)cc1Cl 225640812 RGIWFGPUYWCZAH-CYBMUJFWSA-N 364.898 4.411 0 40 FIAB CC(C)c1nc(Cc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)no1 225988996 OGTNHFMPEATMDA-UHFFFAOYSA-N 361.445 4.454 0 40 FIAB C[C@@H](C(=O)OCCCCCC(=O)O)c1cccc(C(=O)c2ccccc2)c1 251987038 HPRWHZFBQXKVLY-MRXNPFEDSA-N 368.429 4.209 0 40 FIAB CCc1c(C(=O)N2[C@@H](C)[C@H](c3ccccc3)C[C@H]2C)[nH]c(C)c1C(=N)O 332144866 NJOGARCMYWRWSF-HACGYAERSA-N 353.466 4.176 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)cn1 390830574 LXPQREBQWZUJNN-MRXNPFEDSA-N 350.528 4.395 0 40 FIAB COc1ccccc1C1=N/C(=C/c2ccncc2)C(=O)N1c1cccc(C)c1 408849014 YJKHTGWJEUCCAK-HMMYKYKNSA-N 369.424 4.233 0 40 FIAB O=C(O)[C@@H]1CN[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)S1 408975292 ABNPSOQZILDMMS-AZUAARDMSA-N 365.454 4.207 0 40 FIAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O 409051948 FIKBEMFIHQZMTD-DHDCSXOGSA-N 361.806 4.295 0 40 FIAB O=C(c1ccccc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 519326603 FQZUQFOMCFMWIO-INIZCTEOSA-N 354.208 4.346 0 40 FIAB Cc1c(-c2cc(CNc3cc(Cl)ccc3OC(C)C)on2)cnn1C 585085208 QNOGRFDTHMEZIJ-UHFFFAOYSA-N 360.845 4.436 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)NC[C@H](c1ccco1)c1cccs1 585146839 YFMOWBPGERKBJS-QSOAKEGCSA-N 359.472 4.063 0 40 FIAB Cc1ccn2ncc(C(=O)N[C@@H](C)c3ccccc3Oc3ccccc3)c2n1 590022977 PHBOJSWYODFWPL-INIZCTEOSA-N 372.428 4.321 0 40 FIAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Cc2ccccc2)[C@@H]1C(=O)O 601013344 IUXAQXHMVAZGGR-RTBURBONSA-N 367.445 4.217 0 40 FIAB O=C(CCCc1cc(F)ccc1F)N1CCC2(CC1)C(F)(F)C2(F)F 650353150 UNDKTAXTPBJGJF-UHFFFAOYSA-N 365.317 4.181 0 40 FIAB CCOc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 1776111107 AADGSLCZJDGDRM-VMPITWQZSA-N 366.244 4.470 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccc(F)cc1 1377836 RRSFVFFQHQIZOJ-QZTJIDSGSA-N 358.482 4.203 0 40 FIAB COc1ccc(CNc2ncnc3c2[nH]c2ccc(Cl)cc23)cc1OC 2224344 XRMDVSUJNCDTBG-UHFFFAOYSA-N 368.824 4.394 0 40 FIAB COc1ccc2c(c1)c1nc(C)sc1n2S(=O)(=O)c1ccc(C)cc1 2325645 JFLNCNOXQXRFMA-UHFFFAOYSA-N 372.471 4.113 0 40 FIAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 2348899 WZNDXVXFTQSMTA-UQBPGWFLSA-N 365.385 4.303 0 40 FIAB CCSc1nnc(NC(=O)c2ccc(OCCC(C)C)cc2)s1 2628349 WQPGDMQBDQDAMX-UHFFFAOYSA-N 351.497 4.327 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1Cl 3072847 DISBMUGUWPOPKM-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB COc1ccccc1NCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O 3101172 FEBBUSRXDPIZGP-YBEGLDIGSA-N 374.849 4.455 0 40 FIAB Cc1csc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)n1 3337872 LANGKFDJBOSSAX-UHFFFAOYSA-N 351.642 4.429 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(Nc2ccccc2)s1 3398609 CNQXTOVFHCHOTD-UHFFFAOYSA-N 357.460 4.265 0 40 FIAB COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1 4083277 KCYPFRNXTZDPBX-UHFFFAOYSA-N 369.471 4.032 0 40 FIAB aggregator Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N[C@H](C(=O)O)C(C)C)(C4)C2)C3)cc1 4834041 KLXALZDCYZPMMX-MEQYTQKUSA-N 369.505 4.058 0 40 FIAB CC1CCN([C@@H](c2ccc(F)cc2)c2nnnn2C2CCCCC2)CC1 4847664 KFEFKQCYNZAUHV-IBGZPJMESA-N 357.477 4.139 0 40 FIAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NCc1ccco1 4849501 HDDAWFROHFGKGK-UHFFFAOYSA-N 354.475 4.416 0 40 FIAB CCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccoc1C 4860413 PIFCDEKQLOIGTB-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)NCCC1=CCCCC1 5017497 JHUYWNVZQFDLRT-LBPRGKRZSA-N 362.524 4.021 0 40 FIAB COc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1 5259221 ARUSDNVRKIOLOL-UHFFFAOYSA-N 374.444 4.005 0 40 FIAB O=C(CCCc1cccs1)Nc1cccc(I)c1 5443514 PXWUPTZAKVPFFD-UHFFFAOYSA-N 371.243 4.314 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1cccc(F)c1)C3 5516194 NWLJYSXHNWBWDK-UHFFFAOYSA-N 351.377 4.167 0 40 FIAB Clc1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)o2)cc1 6326523 HINBGQHHDYQKJQ-UHFFFAOYSA-N 360.782 4.325 0 40 FIAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cccnc4)c(C)c3cc12 6624627 HILFLBVILOLBFS-UHFFFAOYSA-N 362.385 4.122 0 40 FIAB biogenic O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)C1(c2ccccc2)CC1 6946241 IMGSVYSLRIFZLR-UHFFFAOYSA-N 360.409 4.057 0 40 FIAB O=C(COc1ccccc1F)Nc1c(-c2ccccc2)nc2sccn12 7738623 ATLNJKSAFYKRAN-UHFFFAOYSA-N 367.405 4.219 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1OCC 7927765 NXTMJIZVSPBBSM-UHFFFAOYSA-N 373.833 4.077 0 40 FIAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1 8086565 ZWPLXEBGYZGYMY-GFCCVEGCSA-N 355.235 4.488 0 40 FIAB CCn1c(-c2ccncc2)nn(CN2CCC[C@@H]2c2cccs2)c1=S 8114059 IHEOKAZNIKHGMJ-OAHLLOKOSA-N 371.535 4.352 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2ccccc2c1 9064064 NSPRPKBMWBTRQB-UHFFFAOYSA-N 350.443 4.284 0 40 FIAB COc1cccc(-c2nnc3sc(COc4c(C)cccc4C)nn23)c1 10311690 ZLDSMEJGCGJSHD-UHFFFAOYSA-N 366.446 4.057 0 40 FIAB COc1cccc(CC(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)c1 12221418 HJVLJPZMNSWWMW-IBGZPJMESA-N 367.424 4.007 0 40 FIAB CCCn1cc(C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)n1 12366606 VOMUXLPKGOXXIL-QIJZPMMNSA-N 351.494 4.304 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)NCCSCc1ccccc1 12745830 BANADFHSRLHALZ-UHFFFAOYSA-N 366.486 4.324 0 40 FIAB COCCCNc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1 12751560 MDLWFTPKWPAULB-UHFFFAOYSA-N 360.508 4.394 0 40 FIAB CSc1nc2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)cc2s1 12933243 RQSYFLUIGAKXGU-UHFFFAOYSA-N 371.487 4.426 0 40 FIAB Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 13227003 BYEJVGKORIPNKW-IIBYNOLFSA-N 372.472 4.144 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cc4ccccc4o3)c12 14170075 MJCWKDPPWLEDHP-LBPRGKRZSA-N 374.444 4.391 0 40 FIAB CCCNC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 16046109 FDJWWINNGIVEBM-UHFFFAOYSA-N 350.513 4.023 0 40 FIAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccccc1Cn1ccnc1 19498289 BAFLHSVNEPUKFN-INIZCTEOSA-N 370.456 4.172 0 40 FIAB COc1ccc(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)cn1 19665788 RNHOXNJJVFYQEH-UHFFFAOYSA-N 350.422 4.197 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2[nH]c3ccc(OC)cc3c2C)cc1 19715071 OETRNKXFXKWHBI-HXUWFJFHSA-N 364.445 4.471 0 40 FIAB COc1ccc([C@@H](C)NC(=O)COc2cccc3ccccc23)cc1OC 20481297 BQKGZRKOTQMCRT-OAHLLOKOSA-N 365.429 4.113 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)SCc2ccccc2)cc1 22523842 GGWMPMGIFKYDMS-MRXNPFEDSA-N 365.502 4.119 0 40 FIAB O=C(CCN1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1cccc(F)c1 24668255 ZNOCGZQNPSSOAI-OAHLLOKOSA-N 367.424 4.175 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 27330503 YLJLRYVKOWLMIH-UHFFFAOYSA-N 363.461 4.125 0 40 FIAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(C(F)(F)F)c1 28303726 MNZFHBWWQGZFRL-UHFFFAOYSA-N 363.314 4.342 0 40 FIAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2nc3cnccc3o2)cc1 32105601 JEERXARABHVKSQ-DHZHZOJOSA-N 355.397 4.219 0 40 FIAB CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccncc4)cc3)nn2)CC1 36679007 OFXRHOLSROVTQQ-UHFFFAOYSA-N 373.460 4.027 0 40 FIAB O=C(Nc1cccc(F)c1)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 43155036 BRDVFNHVIXIHAR-LJQANCHMSA-N 364.424 4.270 0 40 FIAB COc1ccc(CNC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 43625506 KPQVSONMZKAAQA-QGZVFWFLSA-N 367.474 4.352 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2C)ccc1F 48044447 IWIZLSQDHOVRLF-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CCCc1noc2nc(C3CC3)cc(C(=O)N(C3CC3)[C@@H](C)C3CC3)c12 48287222 AIZZZZMCPDKHIP-LBPRGKRZSA-N 353.466 4.456 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 59227296 QGFJGMLYAJJLGD-GOSISDBHSA-N 350.462 4.111 0 40 FIAB CCOc1cc2c(c3[nH]c(C(=O)Nc4ccc(F)c(F)c4)cc13)O[C@@H](C)C2 69514753 JDEKQPMOQJAOOZ-JTQLQIEISA-N 372.371 4.421 0 40 FIAB O=C(c1cnc2c(cnn2C2CCCC2)c1)N1CCc2ccc(Cl)cc21 71849964 KNXFDWPNTGOEGQ-UHFFFAOYSA-N 366.852 4.403 0 40 FIAB CC[C@H](C(=O)N1CCC(Oc2ncccc2Cl)CC1)c1ccccc1 96024810 IPJUYLOBZSUSDM-KRWDZBQOSA-N 358.869 4.299 0 40 FIAB COc1cccc(N[C@H]2COC3(CCN(Cc4ccc(C)s4)CC3)C2)c1 96221398 CYKACSFSFLTNRA-GOSISDBHSA-N 372.534 4.301 0 40 FIAB Cc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccccc3O)CC2=Nc2ncnn21 102600913 ORCRHUHORQBNJY-SZNDQCEHSA-N 372.428 4.357 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 222993783 GZUXXVCPDKCLTB-LAUBAEHRSA-N 371.477 4.053 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1Cl 223313669 VEYBHSGKIFADSF-UHFFFAOYSA-N 372.852 4.227 0 40 FIAB COc1cc(C)c([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1C(C)C 223387053 UJVJHAKXUBWXOX-HNNXBMFYSA-N 369.461 4.389 0 40 FIAB CC(C)Oc1cccc(CNC(=O)COc2cccc3c2CCCC3)c1 223413494 VFSVKNFPDXDBNC-UHFFFAOYSA-N 353.462 4.048 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224419524 NQRUXIRWJTZKFR-ZWKOTPCHSA-N 353.422 4.299 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1C 225743251 VVONMKCXTHSKEK-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB Nc1nnc(/C=C/c2ccc(OCc3ccccc3)c(Br)c2)o1 226337939 YCSUPCFYLJNSSP-VQHVLOKHSA-N 372.222 4.164 0 40 FIAB COC[C@H]1CN(Cc2ccco2)CC12CCN(Cc1sccc1C)CC2 253599067 KPKYAKWTGAVQHA-GOSISDBHSA-N 374.550 4.010 0 40 FIAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)C3CCC3)CC2)n1 257276693 NUTKRRSIZRKEHU-UHFFFAOYSA-N 353.466 4.114 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260760791 ACPHXIRPBSQXKX-ROUUACIJSA-N 366.505 4.418 0 40 FIAB COc1cc(NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1cccs1 408621296 LHTTZKCLEBPHAP-VQHVLOKHSA-N 368.414 4.254 0 40 FIAB Cc1onc(-c2cccnc2)c1C(=O)NCC1(Cc2ccccc2)CCC1 552295526 NJDUNVYWYCTEPT-UHFFFAOYSA-N 361.445 4.188 0 40 FIAB O=C(Cn1ccnc1)N[C@H](c1ccccc1)c1cc(Cl)ccc1Cl 558282672 BUAHTETUZRZOEV-GOSISDBHSA-N 360.244 4.096 0 40 FIAB CC(C)c1ncsc1C(=O)N[C@H]1c2ccccc2CC12CCOCC2 580405998 PPTSORURQGUVOQ-SFHVURJKSA-N 356.491 4.091 0 40 FIAB Cc1ccc2oc(C(=O)N3CCC4(CCC(N(C)C)CC4)CC3)cc2c1 615441560 WHTCKCLLADRQEK-UHFFFAOYSA-N 354.494 4.468 0 40 FIAB Fc1ccc2c(C3CCN(c4ncnc5c4CCCC5)CC3)noc2c1 685921519 BHWWFNXGWDXLOS-UHFFFAOYSA-N 352.413 4.020 0 40 FIAB Cc1cc(OCc2nn3c(CSC(C)C)nnc3s2)ccc1Cl 1776110985 FRJCGRLUICEUKD-UHFFFAOYSA-N 368.915 4.368 0 40 FIAB COC(=O)c1ccc(Nc2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 979467 UCUMSWBJAPUSTJ-UHFFFAOYSA-N 366.442 4.448 0 40 FIAB CCc1ccccc1NC(=S)N1CCC(NC(=O)C2CCCCC2)CC1 4857560 ABIFKEAXWXXVSN-UHFFFAOYSA-N 373.566 4.107 0 40 FIAB CCCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1 6427856 BKFCZVRFEZBPKU-UHFFFAOYSA-N 355.434 4.360 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6958852 WEHKMIACFPLVLN-LPHOPBHVSA-N 366.461 4.282 0 40 FIAB COc1cc(-c2nc3cc(NC(=O)C(C)C)ccc3o2)cc(OC)c1OC 10120208 IFJMLMYHAGOAMC-UHFFFAOYSA-N 370.405 4.115 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)c(OC)c1 10156814 LMGJWIROFAXJAQ-HNNXBMFYSA-N 362.429 4.111 0 40 FIAB O=C(COC(=O)/C=C/c1cccc(Cl)c1Cl)Nc1cccc(F)c1 10659365 XZLHCHJACHDXJI-BQYQJAHWSA-N 368.191 4.328 0 40 FIAB O=C(O)C1=C[C@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 102243860 RLRPHNQRLMBQRQ-OAHLLOKOSA-N 360.200 4.327 0 40 FIAB Nc1nc(CSc2nnc(-c3c[nH]c4ccccc34)o2)nc2ccccc12 12533857 ONRLVPFKDNNDMT-UHFFFAOYSA-N 374.429 4.036 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cccc(F)c2)cs1 12591259 LOPKAGXINCVMQU-UHFFFAOYSA-N 367.449 4.259 0 40 FIAB O=C1CCCN1c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1 43574085 LPNVLKXPWZXMFL-INIZCTEOSA-N 355.463 4.244 0 40 FIAB C[C@@H](NC(=O)COC(=O)C1(c2ccccc2F)CCCC1)c1ccccc1 3291134 GHIRCYBFQHWHBB-MRXNPFEDSA-N 369.436 4.058 0 40 FIAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c(OC)c1OC 102727470 HMYFXOXBDGCRGZ-MRXNPFEDSA-N 370.405 4.223 0 40 FIAB CN(C)c1ccc(C(=O)Nc2nc(COc3ccccc3)cs2)cc1 3227865 YIPBNVSVCYMPIY-UHFFFAOYSA-N 353.447 4.040 0 40 FIAB COc1ccc([C@H](O)[C@H](C)NC(=O)[C@H](C)c2ccc3ccccc3c2)cc1 108487511 BDHNDRPCLZIBDU-ZMPRRUGASA-N 363.457 4.190 0 40 FIAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1F 3238852 IRFYREMCPCAPPG-UHFFFAOYSA-N 365.360 4.414 0 40 FIAB Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 22509401 MSWAMRWYRBPQQT-UHFFFAOYSA-N 353.422 4.020 0 40 FIAB Cc1ccc(NC(=O)N2CCCN(C(C)(C)C)CC2)c(Br)c1 58054083 MWFWDGFGHZTGRL-UHFFFAOYSA-N 368.319 4.096 0 40 FIAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1 10042797 YLPCMJVAYZHBPJ-OAHLLOKOSA-N 372.472 4.309 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc([S@@](C)=O)cc2)cc1 58114473 PHJYNNLDYYLXFL-FNZWTVRRSA-N 371.502 4.190 0 40 FIAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 28199180 AMJRXPHUVLONCQ-LVCYWYKZSA-N 364.489 4.052 0 40 FIAB CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccccc1Cl 28188863 XICUHLMXJSHVIE-CMDGGOBGSA-N 359.838 4.123 0 40 FIAB CCN(CC)CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12 2311997 DYOOWBSRYSJKJK-UHFFFAOYSA-N 361.489 4.364 0 40 FIAB CC(C)c1ccccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 12757901 NQCDLDSYVBFHCC-UHFFFAOYSA-N 363.461 4.165 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1Br 12747099 YBQCIZSYZDVKDO-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCN(CC)Cc1nc(NCc2ccc(O)cc2)c2c(C)c(C)sc2n1 12858171 JOWLYYVJSPSRBC-UHFFFAOYSA-N 370.522 4.468 0 40 FIAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC[C@H]1c1cccs1 12806561 NJCJTDBVTRDAMK-ZDUSSCGKSA-N 359.834 4.485 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2csc(C)n2)o1 12987274 GMZPYQUIALFZNH-UHFFFAOYSA-N 362.838 4.304 0 40 FIAB Cc1nn([C@@H](C)CC(=O)Nc2ccc(Br)cc2)c(C)c1C 17173187 ODHYIKUVGYXHLR-JTQLQIEISA-N 350.260 4.161 0 40 FIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(F)c(Cl)c1 12987166 GBHVPTYHPVTBMV-UHFFFAOYSA-N 362.788 4.306 0 40 FIAB CC(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4119615 KWTGUTRVRGIXBY-UHFFFAOYSA-N 373.444 4.165 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(F)cc3)n2N)cc1 5111284 WMPJEABNYXMHOD-UHFFFAOYSA-N 356.470 4.388 0 40 FIAB O=C1C2=C(CCCC2)[C@@H](NCc2cccs2)N1Cc1ccc(F)cc1 13899326 NLIZEKWOPKLVDC-IBGZPJMESA-N 356.466 4.216 0 40 FIAB CSc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 5249647 BGIJMCRODVCADN-VKXNWWILSA-N 364.514 4.436 0 40 FIAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1ccc(Cl)s1 8734435 XWGMOERXMQLNLZ-NSHDSACASA-N 357.306 4.192 0 40 FIAB Cc1nc(COc2cccc(C(=O)NCCc3ccccc3)c2)cs1 8772496 ZPSGPOVSHZFFGQ-UHFFFAOYSA-N 352.459 4.003 0 40 FIAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1c(F)c(F)c(F)c(F)c1F 14200446 FIMHWGVSNCDTLN-UHFFFAOYSA-N 373.277 4.122 0 40 FIAB CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccccc2C(C)C)s1 5561439 MYPYBQFCNHIETM-UHFFFAOYSA-N 374.510 4.217 0 40 FIAB COc1cccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c1 4716248 MJYAYQOMSQGPGC-JKSUJKDBSA-N 358.804 4.226 0 40 FIAB Cc1cccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1 4714267 KJDJQKFSVOFKKR-LJQANCHMSA-N 350.443 4.107 0 40 FIAB Cc1cnn(-c2ccc([C@H](C)N[C@@H](C)c3cnc(C)nc3C)cc2F)c1 90118063 CVLIAODPVRRYJW-KBPBESRZSA-N 353.445 4.138 0 40 FIAB COc1ccc(C(C)=O)cc1NC(=O)C1=Cc2cc(Cl)ccc2OC=C1 15838573 RBQQBYBBECTXRS-UHFFFAOYSA-N 369.804 4.479 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3nc4ccccc4[nH]3)cc12 7738483 RBCRFOYCQDJPSR-UHFFFAOYSA-N 353.451 4.191 0 40 FIAB CCc1cccc(C)c1NC(=O)CN(Cc1cccs1)C[C@@H]1CCCO1 7927331 UBHNNLJPKNIBLE-SFHVURJKSA-N 372.534 4.239 0 40 FIAB COc1cccc([C@H]2SCC(=O)N2c2nc3ccc(OC)cc3s2)c1 19927225 VIQLLVLKJGKLTB-QGZVFWFLSA-N 372.471 4.092 0 40 FIAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1ccccc1-c1ccccc1 9613995 ZKZHBPXJLZIUBB-HXUWFJFHSA-N 358.397 4.082 0 40 FIAB CC[C@@H]1C[C@H](C)CN1C(=O)/C=C/c1cc(Br)ccc1OC 72305540 DCOUPGZGMSDIRM-YYTFBVJBSA-N 352.272 4.118 0 40 FIAB C[C@H](N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1)c1ccc(F)cc1 95967699 QQPPVMUGNIJHLJ-JKSUJKDBSA-N 359.464 4.128 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1C 408638763 DJXMUMBVTSEEGE-GOSISDBHSA-N 358.441 4.448 0 40 FIAB Cc1ccc(C[C@H](C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)c1 518723481 CKQGBYRWMUNMMQ-INIZCTEOSA-N 365.477 4.405 0 40 FIAB COc1cc(-c2cc(-c3ccc(C)cc3C)nc(N)n2)cc(OC)c1OC 71978025 IPPXWDLXQPBHGH-UHFFFAOYSA-N 365.433 4.035 0 40 FIAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccccc1F 216824336 KLDPSSFNGDHGRX-UHFFFAOYSA-N 363.776 4.089 0 40 FIAB COc1cc2c(cc1OC)[C@@H]([C@@]13C[C@@H]4C[C@@H](C[C@@](Cl)(C4)C1)C3)NCC2 217361681 HSDXWRHEZLIHTH-NQXSOSHUSA-N 361.913 4.468 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1C 219309315 FGGNVJCRVNGZOC-SJLPKXTDSA-N 353.462 4.489 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 219298398 RQIHXRVDSNWGID-QZTJIDSGSA-N 355.478 4.469 0 40 FIAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 219038805 INUALBYAIZEOBN-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)[nH]1 224421815 IGLFVFPZKGJTST-RBUKOAKNSA-N 366.465 4.343 0 40 FIAB CC1=C(C)[C@@H](NCc2cccs2)N([C@H]2CCCc3ccccc32)C1=O 199411129 OWDVFDLAYYHLOV-PMACEKPBSA-N 352.503 4.420 0 40 FIAB CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 85425931 GGJRAQULURVTAJ-FYFCIDAMSA-N 352.515 4.472 0 40 FIAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(CC4CC4)CC3)cc21 96155631 QGFVFDWJDPGILG-UHFFFAOYSA-N 367.541 4.202 0 40 FIAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccc2ccccc12 95479427 JCDTZECISZJJRH-QGZVFWFLSA-N 353.447 4.335 0 40 FIAB COc1ccccc1Cc1nn2c(-c3cc4ccccc4o3)nnc2s1 96193841 OYHQDRZPESMEFT-UHFFFAOYSA-N 362.414 4.198 0 40 FIAB CC(C)c1cc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)cs1 257318862 VPSFDVUPKLIKEQ-LJQANCHMSA-N 359.495 4.007 0 40 FIAB CC(C)SCc1nnc2sc(Cc3cccc(C(F)(F)F)c3)nn12 1776110961 AZIAAGFGEHTWOU-UHFFFAOYSA-N 372.441 4.437 0 40 FIAB Cc1c(Cl)ccc(CNCCNC(=O)c2ccccc2Cl)c1Cl 1661416483 SCOOEJBLPMVJDW-UHFFFAOYSA-N 371.695 4.475 0 40 FIAB CCN(Cc1ccccc1NC(=O)N1CC2(CC=CC2)[C@@H]1C(C)C)C(C)=O 646217370 LTXWVVFEVIQVFK-FQEVSTJZSA-N 369.509 4.264 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)NCCc1ccc(-c2ccoc2)s1 390829129 CWYKWBJNIRSAEY-JLHYYAGUSA-N 359.472 4.141 0 40 FIAB O=C(N[C@H]1COc2ccccc21)N1CCC[C@H]1Cc1ccccc1Cl 58574606 MFBQUFYQAINBPJ-YJBOKZPZSA-N 356.853 4.190 0 40 FIAB O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 11887917 FAMMJLSSKHNSJS-NHCUHLMSSA-N 357.409 4.252 0 40 FIAB Cc1oc2c(c1CC(=O)NCCCc1ccc(F)cc1)C(=O)CC(C)(C)C2 12193645 MMLWEBJZRFHAOM-UHFFFAOYSA-N 371.452 4.174 0 40 FIAB c1ccc(CCCN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)cc1 13989750 OFLVGWYEAWTPSX-UHFFFAOYSA-N 360.457 4.445 0 40 FIAB Cc1ccccc1-n1nc(C)c([C@H]2C=C[C@@H](OC(=O)NC(C)C)C2)c1C 15673868 OYUAQMAVCCWCDK-ZWKOTPCHSA-N 353.466 4.344 0 40 FIAB biogenic,in-vitro O=C(Nc1ccc(C2=NCCO2)cc1)Nc1ccc(Cl)c(Cl)c1 16401222 OWDURJFCNTTWIW-UHFFFAOYSA-N 350.205 4.414 0 40 FIAB CCOc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OC 19531986 KZBLALUBUGZDKA-GOSISDBHSA-N 365.477 4.350 0 40 FIAB C[C@H]1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H]1n1ccnc1 675255121 FZGIXBMCHQMWAC-WFASDCNBSA-N 374.897 4.316 0 40 FIAB Cc1ccc(NC(=O)c2cccc(OC(=S)N3CCCCC3)c2)cc1 1437781 TXQXCTFXROXSLY-UHFFFAOYSA-N 354.475 4.397 0 40 FIAB CCOc1ccc(-n2c(SCC)nc3c([nH]c4ccccc43)c2=O)cc1 2720830 PFXJDXQWWIZGIV-UHFFFAOYSA-N 365.458 4.378 0 40 FIAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc4ccccc4c3)cc21 8959397 ALAZVRDRNHWTAH-UHFFFAOYSA-N 374.440 4.474 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccc2ncsc2c1 1775968439 GMEBFMFVFONLSO-CYBMUJFWSA-N 370.455 4.081 0 40 FIAB O=C(/C=C/c1cccs1)NC[C@H](O)c1ccc(-c2cccs2)s1 606440670 OLMJGHXEOIXFBQ-LJLILKBBSA-N 361.513 4.401 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NC1CC(C)(C)NC(C)(C)C1 28227172 YAPPSRAZKHCZNB-HNNXBMFYSA-N 354.494 4.033 0 40 FIAB COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 40104009 SCAIJZYGRXGYJE-OAHLLOKOSA-N 369.465 4.481 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N[C@H](C)c3cc(C)sc3C)ccc21 40145057 JDOCAIWUBLDZGF-CYBMUJFWSA-N 356.491 4.155 0 40 FIAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 21192352 LQMFNGMZWBKDNE-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB COc1ccc(OC)c(NC(=O)COc2cc(Cl)ccc2Cl)c1 817931 JPOVXEREVFPIGK-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)c1 915501 SQFMEERCXXJMLF-VBKZILBWSA-N 368.506 4.086 0 40 FIAB NC(=O)c1ncc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1 1391395 PBNWJFBNMSBPTP-UHFFFAOYSA-N 350.218 4.010 0 40 FIAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1OC 2468486 CDBZPBXXFHEQSW-IFXJQAMLSA-N 374.824 4.127 0 40 FIAB CCOC(=O)c1cccc(C(=O)c2ccc(CN3CCCCC3)cc2)c1 2514500 BWHUDYJAIVHDDG-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 2659669 LUAZOKVFAGOZIF-GFCCVEGCSA-N 356.447 4.056 0 40 FIAB O=C(OCC(=O)c1ccccc1Br)c1cccc(Cl)c1 3237482 YGSJNVGJCNJYEP-UHFFFAOYSA-N 353.599 4.142 0 40 FIAB COc1cccc(Nc2nnc(SCCOc3ccccc3)s2)c1 3439319 IPJYVUGUEPPMAH-UHFFFAOYSA-N 359.476 4.461 0 40 FIAB CCN(CC)CCCNC(=O)C[C@H](CCC(C)C)[C@H]1CCOC(C)(C)C1 4086212 OVLXPNIOIDLIFE-PMACEKPBSA-N 368.606 4.482 0 40 FIAB biogenic CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CSc1ccccc1 4808949 QWRZUJYXYUOETP-UHFFFAOYSA-N 368.458 4.384 0 40 FIAB CC[C@H](C)c1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 5253418 KJYHLWSYWCFFMC-ZDUSSCGKSA-N 354.837 4.446 0 40 FIAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCc2ccccc21 5628414 JTVFFTHXOBMOKX-CJNGLKHVSA-N 351.475 4.237 0 40 FIAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 5916751 GBGRFKCMECESHU-LLVKDONJSA-N 360.479 4.233 0 40 FIAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c1C 6187975 WILCWCYMBOQQMX-CQSZACIVSA-N 371.506 4.472 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)OCc1nnc(-c2ccc(Cl)cc2)o1 6383932 SJDCWGWHYYTBKG-UHFFFAOYSA-N 367.792 4.157 0 40 FIAB CC(=O)c1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1C 6508964 DRLPCECXQVGBMI-UHFFFAOYSA-N 350.443 4.425 0 40 FIAB COc1ccc(C)cc1NC(=O)CSc1ccc(-c2cccs2)nn1 6859125 RCVBFNQHQRBYIJ-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB CCc1ccc2c(CC(=O)Nc3ccccc3N3CCOCC3)coc2c1 7718100 FYTNHBGHDLZLSV-UHFFFAOYSA-N 364.445 4.013 0 40 FIAB Cn1c(SCc2cc(-c3cccs3)on2)nnc1-c1ccccc1 7729590 UKXVHPHFOCNUMM-UHFFFAOYSA-N 354.460 4.491 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)c1 7755868 IUKGIYCDVSRAEI-RMKNXTFCSA-N 365.351 4.052 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7882148 KIVABQVMIVRHHP-JXFKEZNVSA-N 364.489 4.360 0 40 FIAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3c(CC)cccc3CC)C2)cc1 7929344 IRJMBICSXKOTJP-IBGZPJMESA-N 365.473 4.332 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 8372179 XPANAPIAUQLUIX-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(F)cc1Cl 8710770 BTOAWCDQGPOMRS-UHFFFAOYSA-N 369.223 4.221 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(S(C)(=O)=O)c1 9500851 OQBPEVSJPLFPJH-UHFFFAOYSA-N 365.882 4.121 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 10433816 BDFIOWUTYBUIDG-UHFFFAOYSA-N 352.478 4.349 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1c2ccccc2C[C@H]1C 11694350 QMOMRHNMEWOAQA-CQSZACIVSA-N 365.408 4.002 0 40 FIAB Cc1ccc(-c2cn3c(C(=O)Nc4nc(C)cs4)csc3n2)cc1 11902459 JTYVBGRQMPSSNB-UHFFFAOYSA-N 354.460 4.388 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccccc1N1CCCCC1 12609970 NYMUWPRIKGJMKT-KRWDZBQOSA-N 369.484 4.275 0 40 FIAB CCc1ccc(OCC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 12782645 JTLSPAAMAVVHNS-FQEVSTJZSA-N 369.461 4.009 0 40 FIAB CC(C)n1ncc2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)cnc21 12789899 NJLBHAHMVACFFF-UHFFFAOYSA-N 374.444 4.448 0 40 FIAB CSc1nc(C)c(CC(=O)Nc2ccc(C)cc2Br)s1 12811859 TZMKXGLBNHPGOQ-UHFFFAOYSA-N 371.325 4.426 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cc2ccncc2)cc1 15941048 WKCADZBPEMZAOQ-XBXARRHUSA-N 358.397 4.053 0 40 FIAB O=C(NCCc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccccc12 16640295 AZHHVOPNSRFUBV-UHFFFAOYSA-N 371.415 4.408 0 40 FIAB CSc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 19900173 PBTHYSRKNBAWAF-UHFFFAOYSA-N 351.519 4.208 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)c(Cl)c1 20040707 PFCCPQHSQPCWSM-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1ncnc2ccsc12 22069217 PDNPGLHAZLBNEA-NSHDSACASA-N 361.467 4.142 0 40 FIAB Cc1ccc(CNC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22237638 QLPDDBAFRNXZGL-UHFFFAOYSA-N 351.475 4.458 0 40 FIAB CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccsc1 25330040 DQKSKQFLCPFATM-HNNXBMFYSA-N 357.306 4.017 0 40 FIAB COc1ccc([C@H](NC(=O)CN2c3ccccc3CC[C@@H]2C)C2CC2)cc1 26466236 KFPHCNKDXGQSNI-QMHKHESXSA-N 364.489 4.104 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cc(Cl)cn2)cc1 28241481 RCMSPLVSPJBDCP-UHFFFAOYSA-N 350.809 4.188 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1C 32623280 DKLMWHVEKDIMRJ-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB CCOC(=O)c1nc2cc(C)c(C)cc2nc1NCCc1ccc(C)cc1 32642897 JTWKFVNUBVBHNN-UHFFFAOYSA-N 363.461 4.386 0 40 FIAB COc1ccc([C@H]2CCCN2[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 37198744 XDAICZZRUQKXQW-QVKFZJNVSA-N 366.461 4.062 0 40 FIAB O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1cc(Cl)ccc1Cl 40095840 DOCFPNPZTWKJQD-CQSZACIVSA-N 361.175 4.127 0 40 FIAB Cc1ccc(C)n1-c1nc(CC(=O)N[C@H](C)c2cccc(F)c2)cs1 40130438 WXVKRQOJWFEZDP-CQSZACIVSA-N 357.454 4.110 0 40 FIAB CC(C)(C)c1nc(CN2c3cccc4cccc(c34)S2(=O)=O)cs1 40152842 OPGPEHKWMYTRFH-UHFFFAOYSA-N 358.488 4.303 0 40 FIAB COc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1OC(F)F 43995230 ZYAVYIGAKPATJL-VIFPVBQESA-N 372.318 4.458 0 40 FIAB CCN(CC)Cc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 44842291 VHEQWWOOJWWGHM-UHFFFAOYSA-N 370.493 4.117 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 44846346 BVTBWNXLBMZLTJ-DOTOQJQBSA-N 357.450 4.047 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cnc2ccccc2c1 48251414 AVHLLLPPNSTZRA-UHFFFAOYSA-N 370.334 4.242 0 40 FIAB CN(CCCC(=O)OC(C)(C)C)C(=O)c1cc(Cl)sc1Cl 58306880 SODGOAWRQVTZBV-UHFFFAOYSA-N 352.283 4.249 0 40 FIAB CCCN(Cc1ccccc1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 58417323 UZQSZRLXEKZOBN-UHFFFAOYSA-N 353.447 4.050 0 40 FIAB Cc1ccc(C)c(OCC(=O)N(Cc2ccc(O)cc2)Cc2ccco2)c1 62640027 LFOQOGULRVWWMB-UHFFFAOYSA-N 365.429 4.210 0 40 FIAB CO[C@@H](C(=O)N1CCCc2cc(OC(F)(F)F)ccc21)c1ccccc1 69414430 PRRHHYNIQBPSSJ-QGZVFWFLSA-N 365.351 4.252 0 40 FIAB C[C@@H]1CCCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 71845419 PIVXVFRFFXIWGG-CYBMUJFWSA-N 350.509 4.285 0 40 FIAB Cc1nc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)co1 72358288 QHPXJNKBEKCCQC-HXUWFJFHSA-N 365.408 4.085 0 40 FIAB CN(CCOc1ccc(O)cc1)C(=O)CCc1ccc(Cl)c(Cl)c1 76016723 INCJAVNACQHFRF-UHFFFAOYSA-N 368.260 4.169 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(Nc2cnn(C)c2)c1 84736555 FVAQDFMKEJFLPQ-GOSISDBHSA-N 366.490 4.375 0 40 FIAB CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(F)c1 85397551 JIPLHCOBFPEBDZ-UHFFFAOYSA-N 372.421 4.287 0 40 FIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(OC[C@H]2CCCO2)cc1 96939511 ISZNUIXUEFZRAZ-LTKMBJGESA-N 355.821 4.391 0 40 FIAB CCCC(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C(C)(C)C)nn32)CC1 100159272 QADVRVISRFKVEQ-IYBDPMFKSA-N 356.514 4.217 0 40 FIAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)CC1 100199418 XTYXTNONMBWVCA-OWCLPIDISA-N 364.536 4.118 0 40 FIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1OCC)C2 100424158 GNZXPUPDECYQNH-IRXDYDNUSA-N 361.555 4.167 0 40 FIAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1OC 100636843 OYXWIICNHVVGLQ-INIZCTEOSA-N 368.824 4.005 0 40 FIAB COc1cc2ccccc2cc1C(=O)/N=c1/sc2cc(C)ccc2n1C 100811994 KYQYZBACDZIEBT-QURGRASLSA-N 362.454 4.451 0 40 FIAB O=C(Nc1ccc(O)cc1F)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102093931 JUDOZNPXXWFUCO-QQJLWGBUSA-N 368.246 4.204 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219610746 QCBZXBLDWIEJGW-HNAYVOBHSA-N 361.869 4.390 0 40 FIAB Cc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 222829143 LODUPEKXRQKSEG-GOSISDBHSA-N 353.462 4.409 0 40 FIAB COc1ccccc1OCCNC(=O)/C(=C/c1ccco1)c1ccccc1 223430244 KXHGYCBLJZRTEZ-KNTRCKAVSA-N 363.413 4.024 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1Cl 223665940 PDRYEBKUCHHYCO-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCOc2ccccc2C(C)(C)C)c1 223704925 YGPRDRUNPNHALH-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CC1CCN(c2ccc(NC(=S)NCCCc3ccccc3)cn2)CC1 223963261 HDMNAHYERXUKIO-UHFFFAOYSA-N 368.550 4.237 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 224422766 JACMXFXYNPFTKL-KRWDZBQOSA-N 355.478 4.335 0 40 FIAB Cc1ccccc1CSCCNC(=O)C1(c2ccccc2)CCOCC1 224824945 KUOMBBFCACFNPM-UHFFFAOYSA-N 369.530 4.093 0 40 FIAB COc1ccccc1CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 224988754 DFLUXHJICRBQIA-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225176710 IKZMEZQIQKRCSW-QGZVFWFLSA-N 370.474 4.440 0 40 FIAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(Cl)c(Cl)c1 225744971 YNBAVKWBVVQUGH-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NCc1ccnc(-c2ccsc2)c1 225757340 XZRMCYLWHISMLP-UHFFFAOYSA-N 357.866 4.463 0 40 FIAB Cc1cc(C)nc(Nc2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)n1 225914283 GUTXHSJFYIEVPD-INIZCTEOSA-N 358.445 4.428 0 40 FIAB c1ccc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)nc1 306136797 QDMKYTATRORCBM-HXUWFJFHSA-N 355.445 4.128 0 40 FIAB Cc1cccc(O[C@@H]2CCC[C@H](NCc3c(C)cccc3Cl)[C@H]2O)c1 585290148 UGJNJPHBBWJANF-PWRODBHTSA-N 359.897 4.407 0 40 FIAB CC(=O)N(CCC(=O)N1c2ccccc2C(C)(C)[C@H]1C)Cc1ccccc1 1617704454 NOVYTJAYSYGJRV-QGZVFWFLSA-N 364.489 4.138 0 40 FIAB O=S(=O)(NCc1cc(-c2ccco2)cs1)c1ccccc1Cl 1775969165 ZRFQRVPZVVRGFV-UHFFFAOYSA-N 353.852 4.140 0 40 FIAB O=C1c2ccc(Br)cc2C(=O)N1c1cccc(C(F)(F)F)c1 864571 DFGSEDPHLOKGDF-UHFFFAOYSA-N 370.124 4.269 0 40 FIAB CCN(C(=O)COC(=O)Cc1ccc(Cl)cc1Cl)C1CCCCC1 3306253 PSBFYHDHIKRCQL-UHFFFAOYSA-N 372.292 4.260 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 3383124 RZEYVIQUGBUPFJ-UHFFFAOYSA-N 365.260 4.314 0 40 FIAB Cc1ccc2c(COC(=O)c3nc(Cl)ccc3Cl)cc(=O)oc2c1 3429352 JJSSKIFEKNXYDX-UHFFFAOYSA-N 364.184 4.160 0 40 FIAB CCC(CC)c1nnc(NC(=O)c2ccccc2SCCOC)s1 4510379 UGRTYGQEQGDYEH-UHFFFAOYSA-N 365.524 4.433 0 40 FIAB O=C(Cc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 4844437 DCYMTTNTTUWODG-UHFFFAOYSA-N 370.452 4.461 0 40 FIAB O=C(Nc1cccc(F)c1)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269482 JFDYKQLCMGOXFS-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1cc(C(=O)COC(=O)Cc2cccs2)c(C)n1Cc1ccccc1 5270403 COMPMNPACAENLR-UHFFFAOYSA-N 367.470 4.183 0 40 FIAB CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(C)nn2C 6997460 RTZVGZBZOJGRJL-UHFFFAOYSA-N 364.232 4.427 0 40 FIAB CCCc1nnc(S/C(=C\c2cccc(Cl)c2Cl)C(=O)O)[nH]1 7342354 BVEQPAUMKOJQBO-YFHOEESVSA-N 358.250 4.282 0 40 FIAB COc1ccc(CCNC(=S)Nc2ccc(F)c(Cl)c2)cc1OC 7520943 LBAGSSLFWXUQEB-UHFFFAOYSA-N 368.861 4.025 0 40 FIAB C[C@H](NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccco1 7741839 KIUCWBDJALYCBV-INIZCTEOSA-N 351.402 4.115 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 7781258 IHJFDUWAFILWEZ-UHFFFAOYSA-N 358.612 4.253 0 40 FIAB COC(=O)c1ccccc1/C=C(\CC(=O)O)c1nc2ccccc2s1 7907432 IVEOVZKZKXMZKV-JLHYYAGUSA-N 353.399 4.098 0 40 FIAB Cc1ccc(Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)cc1 8956034 BIDXPPFBFRFPHV-UHFFFAOYSA-N 353.472 4.247 0 40 FIAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccco1 9010877 YKELIEXBLQVHTE-UHFFFAOYSA-N 362.454 4.373 0 40 FIAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@@H]2CCSc3ccccc32)cc1 9366632 ZYSSQQWBZJHKIE-KBXCAEBGSA-N 355.459 4.010 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccccc1C(=O)c1ccccc1 9884033 YBAOIXZDFQQLBP-UHFFFAOYSA-N 373.408 4.331 0 40 FIAB O=C(NCc1cc(-c2ccc(F)cc2)on1)C12CC3CC(CC(C3)C1)C2 11613435 HYCSUOFDJBIGBD-UHFFFAOYSA-N 354.425 4.313 0 40 FIAB CCOC(=O)Cn1c(SCCOc2ccccc2C)nc2ccccc21 11667491 JOJDLQBKLSNJBI-UHFFFAOYSA-N 370.474 4.079 0 40 FIAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCc1ccccc1 12539616 DCGQNENGMWDMIN-INIZCTEOSA-N 359.429 4.363 0 40 FIAB O=C(CSc1ccncc1)N1CCc2sccc2[C@H]1c1cccs1 12563768 YKQBHLVHEHKUJY-SFHVURJKSA-N 372.540 4.471 0 40 FIAB Cn1c(C[C@@H](NC(=O)c2cccc(F)c2)c2ccccc2)nc2ccccc21 12627367 BNIOEAURRRXOIN-HXUWFJFHSA-N 373.431 4.426 0 40 FIAB O=C(CNc1ccc(F)cc1F)N[C@@H](c1ccccc1)c1cccs1 12769976 UFKSPNDCGVIYQC-IBGZPJMESA-N 358.413 4.344 0 40 FIAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 12810724 WSXYIJOOIADKKQ-UHFFFAOYSA-N 360.417 4.406 0 40 FIAB O=C(CCCNC(=O)c1cccs1)Nc1cc(Cl)cc(Cl)c1 12876379 JCWCAQFQCONDKP-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1N1CCCC1=O 12927014 BPZVWSPKOCIGPM-AWEZNQCLSA-N 372.852 4.181 0 40 FIAB Cc1cc(C)c2c(c1)[C@@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 13788136 MLVXSLHXOQBCLI-QHCPKHFHSA-N 366.424 4.399 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)CSc1ccc(NC(C)=O)cc1 14135483 BUGLZSIWRSOWGE-QGZVFWFLSA-N 374.531 4.335 0 40 FIAB O=C(CSc1ccc(F)c(F)c1)NCCc1nc2ccccc2s1 15521495 CSMWHEBJKGEVEW-UHFFFAOYSA-N 364.442 4.026 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 15585421 KIJZFJWRIZFVNY-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB Cc1ccc2nc3c(cc2c1)CCN3C(=O)COc1ccc(Cl)cc1 15841861 COEYJCPEIDHVAP-UHFFFAOYSA-N 352.821 4.165 0 40 FIAB O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)nc1 16097200 ONCIPHRKSMAHED-UHFFFAOYSA-N 356.834 4.107 0 40 FIAB COc1cccc(CNC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 17069970 PCMPKRBCRWSYOW-LBPRGKRZSA-N 363.255 4.018 0 40 FIAB Clc1ccc(-c2nc(NCc3ccccn3)ncc2-c2ncc[nH]2)cc1 19401979 ROQZBVKQICKNRL-UHFFFAOYSA-N 362.824 4.194 0 40 FIAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4cc5ncccc5[nH]4)C3)cc12 19568360 IFABUVQSZISBKP-CQSZACIVSA-N 374.444 4.073 0 40 FIAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2Cc2ccnn2C)n1 19691994 QOECCPVRPCVOSB-HSZRJFAPSA-N 360.505 4.360 0 40 FIAB Fc1ccccc1Cc1nnc2sc(COc3ccc(Cl)cc3)nn12 19910078 FZSPBMUMBMAMPS-UHFFFAOYSA-N 374.828 4.148 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)OC)c1 20112196 RTNBOYPZKNVBQL-LJQANCHMSA-N 363.413 4.423 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(N2CCCCC2)cc1 20456250 VYVPALPIHLRHCE-UHFFFAOYSA-N 374.488 4.101 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1Cl 20457172 CJONICNHZINPLZ-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CC(=O)NC(=S)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 21596504 MOBYUVJGIUQPTL-UHFFFAOYSA-N 353.447 4.451 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1 21800688 POIIQHQZUQNKAY-LBPRGKRZSA-N 371.824 4.358 0 40 FIAB Cc1ccc(N(Cc2ccco2)C(=O)CCc2ccc3c(c2)OCO3)cc1 21974374 MGUPCWVIBUZWKI-UHFFFAOYSA-N 363.413 4.483 0 40 FIAB CCOc1cc(CNCCN(CC)CC)ccc1OCc1ccccc1 22075355 DZOKUQVXZZEPFC-UHFFFAOYSA-N 356.510 4.096 0 40 FIAB COc1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 25115049 QSZNNDUSFSRRBY-UHFFFAOYSA-N 372.519 4.429 0 40 FIAB COC(=O)c1sc2nc(C)nc(N(C)[C@H]3CCc4ccccc43)c2c1C 29147903 WPQGZEYQEPVZFZ-HNNXBMFYSA-N 367.474 4.218 0 40 FIAB COc1ccc2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)[nH]c2c1 32759671 YIYIMIITRSSSEP-UHFFFAOYSA-N 360.797 4.099 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cn3cc(Cl)ccc3n2)o1 43507072 NRHZGOGTBCETOO-CMLCRQCNSA-N 355.825 4.034 0 40 FIAB Cc1ccc(-n2ncc([C@H](C)NC(=O)Cc3ccc(F)cc3)c2C)cc1 48343172 LULVPFADTOFLBF-HNNXBMFYSA-N 351.425 4.048 0 40 FIAB Oc1ccc(C2=CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 53815194 JFUIOECUAWYEPV-UHFFFAOYSA-N 367.474 4.226 0 40 FIAB C[C@H](NCC(=O)NCCc1cccc(Cl)c1)c1ccc(Cl)cc1 57854144 XARCYFBNYZYSAR-ZDUSSCGKSA-N 351.277 4.003 0 40 FIAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)c1 68430718 VBVBFDSOZMJIDE-PYHGHKNZSA-N 368.433 4.028 0 40 FIAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1 68489739 ZVAQFCIENHIWPN-XJKSGUPXSA-N 373.478 4.091 0 40 FIAB COCc1c(C(=O)N(C)Cc2csc(C)n2)sc2cccc(F)c12 69374367 MXRONLKFJUGOKA-UHFFFAOYSA-N 364.467 4.224 0 40 FIAB COc1ccc(-c2nn3c(Cc4ccccc4Cl)nnc3s2)cc1 71284257 VRFGQURUVGLSEK-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)cnc1N1CCCC1 72218796 FWZKBYPJRDBDFT-HXUWFJFHSA-N 365.477 4.464 0 40 FIAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1ccc(Cl)cc1 73310355 CEWKQYJGFZQFHU-UHFFFAOYSA-N 362.820 4.390 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc2cccc(OC)c2o1 73742523 QZFXWXLTRBFPPK-CYBMUJFWSA-N 366.417 4.222 0 40 FIAB C[C@@H](C(=O)Nc1ccc2cn[nH]c2c1)c1ccc(Br)s1 79449032 MAXXKJBTRHHPOB-MRVPVSSYSA-N 350.241 4.129 0 40 FIAB CC1(C)COCCN1C(=O)c1cc2sc(Nc3ccccc3)nc2s1 84673735 DYQBSQVCAOFXOL-UHFFFAOYSA-N 373.503 4.352 0 40 FIAB Cc1ccc(OC2CCN(C(=O)Cc3cccc4ccccc34)CC2)nc1 95464898 QTVHZBGKWCRSKB-UHFFFAOYSA-N 360.457 4.156 0 40 FIAB O=C(CCc1ccc2c(c1)CCO2)N[C@@H]1CCCc2c1[nH]c1ccccc21 96222159 JWKJLNYUSQPFLS-HXUWFJFHSA-N 360.457 4.229 0 40 FIAB biogenic O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1ccco1 102273449 PVHZLVSBCBZSNI-QJRTVWDNSA-N 352.272 4.020 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@H]1C[C@H]1C[C@H]2CC[C@H]1C2 107350030 KUQSARIONLCSRO-NXOAAHMSSA-N 366.461 4.066 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1C 222743631 OAIRESNZVIQWCX-MRXNPFEDSA-N 367.898 4.395 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCN(C)c1ccccc1 223028530 ROAVCWODXKIOKT-IBGZPJMESA-N 360.885 4.058 0 40 FIAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224941005 HYTFRSBWBBDPQJ-UHFFFAOYSA-N 352.189 4.097 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccccc3C)ccc21 225075941 GCFFQBZIOIIHGH-UHFFFAOYSA-N 372.515 4.263 0 40 FIAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1)C1CC1 225674683 MOKYKKFRRJNELL-BFUOFWGJSA-N 369.889 4.288 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225693228 YYFZWIUYGHGWEY-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB Cc1cc(NC(=O)Cc2cccc3ccccc23)ncc1Br 226864516 CZDJKMVBLOLJOR-UHFFFAOYSA-N 355.235 4.487 0 40 FIAB COc1ccc(C(=O)NCc2nc(C3CCCCC3)cs2)c(OC)c1 390829773 GNGMQHAWKTZZHO-UHFFFAOYSA-N 360.479 4.138 0 40 FIAB CCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 408628229 RDYXNBYXOBUENN-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 408707719 CUYHNKVKDQZIEO-UHFFFAOYSA-N 370.415 4.365 0 40 FIAB Cc1nc(-c2cccnc2)nc(N2CCC(Cc3cccnc3)CC2)c1C 538928332 FOQVBXDREKGCNW-UHFFFAOYSA-N 359.477 4.010 0 40 FIAB O=C1CCc2cc(-c3csc(Nc4ccc(Cl)nc4)n3)ccc2N1 726975600 DTIWWKBBWJMZHI-UHFFFAOYSA-N 356.838 4.487 0 40 FIAB Cc1sc2nc(-c3cccnc3)nc(N(C)Cc3cncs3)c2c1C 1157093730 YJZSPLXSQUPQFE-UHFFFAOYSA-N 367.503 4.463 0 40 FIAB COc1c([C@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 606754 UOWGLBYIKHMCIS-OAHLLOKOSA-N 372.417 4.251 0 40 FIAB biogenic,in-vitro O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1cccc(F)c1 722703 DPBLUVIHDWQZLK-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB CCOC(=O)c1c(NC(C)=O)sc(C(=O)Nc2cc(C)ccc2C)c1C 863465 ZTDWJGQULLNGHA-UHFFFAOYSA-N 374.462 4.061 0 40 FIAB Cc1ccc(C2=NN(C(=O)CN3CCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 1016844 KSRBQPSDKBLUCK-JOCHJYFZSA-N 361.489 4.077 0 40 FIAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)C2CC2)cc1 3234962 SLYVLTUYWQAFFM-UHFFFAOYSA-N 352.434 4.125 0 40 FIAB COc1cc(/C=C/C(=O)OCc2ccc(Cl)cc2Cl)ccc1O 3278275 ORTJTOYYXOHJQJ-XVNBXDOJSA-N 353.201 4.464 0 40 FIAB CSc1cccc(NC(=O)c2cccc(I)c2)c1 3561836 WYUFPNMIVPYXPT-UHFFFAOYSA-N 369.227 4.265 0 40 FIAB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc1 4113560 AHUCDPRIRXLWBC-RDTXWAMCSA-N 374.481 4.081 0 40 FIAB O=C(N1CCN=C1SCc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 4119849 UNSSNNIEWMFUNN-UHFFFAOYSA-N 372.509 4.474 0 40 FIAB CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(CC)ccc21 4193415 KMVAJTZYPVOKLY-UHFFFAOYSA-N 369.486 4.197 0 40 FIAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(OCc2ccccc2)cc1 4241068 MMCZTLOPEDASPR-SFHVURJKSA-N 371.433 4.306 0 40 FIAB Cc1ccccc1CSc1nnc(NC(=O)Cc2cccs2)s1 4328779 RRXRUCYKAYEUQV-UHFFFAOYSA-N 361.517 4.382 0 40 FIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21 5136334 PKUIATAJRFOTHV-UHFFFAOYSA-N 370.880 4.456 0 40 FIAB Cc1cccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)c1 5234746 VFJMFMFRQZSXLB-MRXNPFEDSA-N 353.896 4.085 0 40 FIAB COc1ccc(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nn1 5259582 QBSTTXKWOXGKKH-UHFFFAOYSA-N 357.772 4.197 0 40 FIAB Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 5422000 QCQTZDBPVIMCLP-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 5662019 APRVIIBGFPCQGZ-OAQYLSRUSA-N 372.424 4.031 0 40 FIAB COc1ccc(-c2n[nH]c(SCc3ncc(-c4ccccc4)o3)n2)cc1 6141833 ADARMKHXUPOTCF-UHFFFAOYSA-N 364.430 4.428 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1OC 6539109 ILQLNAZHEUCPDP-SXGWCWSVSA-N 371.820 4.400 0 40 FIAB O=C(Nc1nc(-c2ccncc2)cs1)c1cc(F)c(F)cc1Cl 6588792 LPWCSSQIQBUDGM-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)c(C)c1 6629925 IUTNJTYNEDZNQO-SDNWHVSQSA-N 367.518 4.368 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)cc1F 6931456 DFSUFGIBIISPNU-UHFFFAOYSA-N 367.829 4.062 0 40 FIAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 7398664 DPLUQFKBAZFQBU-LJQANCHMSA-N 362.473 4.007 0 40 FIAB C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N1CCCCCC1 8325626 SVJIMBCACIOSOM-KRWDZBQOSA-N 366.461 4.109 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 8499546 SXASBCHKGJQQFM-QGZVFWFLSA-N 368.477 4.095 0 40 FIAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1OC 8628127 NZPADQXDKJPDML-UHFFFAOYSA-N 364.445 4.178 0 40 FIAB CCC(=O)N1CCc2ccc(NC(=O)Cc3cccc4ccccc34)cc2C1 9035499 HVFMABSIMUDYFN-UHFFFAOYSA-N 372.468 4.316 0 40 FIAB CCN(CC)c1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1 9573541 VRFCNIAQACOVMP-UHFFFAOYSA-N 358.449 4.405 0 40 FIAB C[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc2c(c1)OCCO2 9579189 XKBQTTVVQWTHJV-CQSZACIVSA-N 374.440 4.374 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCC(F)(F)F)cc2)cc1 11712200 AZYBFHHRTRTGMY-CYBMUJFWSA-N 352.356 4.375 0 40 FIAB C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-n2ccnc2)cc1 12550546 LKNQTTGLNBTCAR-ZDUSSCGKSA-N 359.351 4.382 0 40 FIAB COC(=O)c1ccc(OCc2cccc3cccnc23)c(Br)c1 12785691 ZAUNGMNGGIKIHC-UHFFFAOYSA-N 372.218 4.363 0 40 FIAB O=C(Cc1cccs1)Nc1ncc(Cc2cc(F)cc(F)c2)s1 12825520 GTPYPYVXYDREIV-UHFFFAOYSA-N 350.415 4.255 0 40 FIAB COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1Cl 12916497 ORGAMUNRNJPPRO-UHFFFAOYSA-N 357.837 4.439 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccccc2)C4)cc1 13634178 KZQGAOGCVAXZLU-QGZVFWFLSA-N 354.413 4.012 0 40 FIAB Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@@H]2c1ccc(C(=O)O)cc1 13682445 OYBDDVALYQLXLC-MRXNPFEDSA-N 361.401 4.311 0 40 FIAB CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)[C@](C#N)(c3ccccc3)[C@H](C#N)[C@@H]2C1 13881983 YOIGSSDLAWGEHW-VPTAFFCTSA-N 356.473 4.336 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 14428982 LSDQPVAPLUYTDJ-OAHLLOKOSA-N 364.832 4.485 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc2cccnc12 16708366 JRBXLPKJKRTNHA-UHFFFAOYSA-N 368.820 4.231 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3cc(F)c(F)cc3Cl)cnc21 17525923 PFTKWQDPJYYGDO-UHFFFAOYSA-N 350.756 4.196 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20110275 YXWPPPKVERZGHQ-SFHVURJKSA-N 371.477 4.137 0 40 FIAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1cc2ccccc2oc1=O 22992964 WGJSOAGLRGGKJB-UHFFFAOYSA-N 363.344 4.122 0 40 FIAB COc1cccc(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)c1 23077566 DOEQMHYLWJPIQB-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)CCc3c(C)noc3C)cc2)cs1 24882155 IGDONARTTCNDQQ-UHFFFAOYSA-N 369.490 4.015 0 40 FIAB C[C@H](NCc1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 25356145 FGBMBYJJNUFPSZ-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(C)[C@H](C)c3ccccc3)c12 25616826 TVWCGEJZOPUPIW-OAHLLOKOSA-N 350.466 4.233 0 40 FIAB COc1ccc(C(=O)CSc2nccn2-c2cccc(C)c2)c(OC)c1 26046421 BHOQKWIOYKJCKI-UHFFFAOYSA-N 368.458 4.173 0 40 FIAB Brc1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 26506805 WOAXTVJDUOFKPA-UHFFFAOYSA-N 354.271 4.200 0 40 FIAB CCOc1ccccc1C(=O)NCCc1csc(-c2ccccc2)n1 27994528 WZPOMGXSVFIZPJ-UHFFFAOYSA-N 352.459 4.181 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289294 LAEQBXNBSNDRCU-FQEVSTJZSA-N 368.521 4.090 0 40 FIAB CC(=O)c1sc(NC(=O)C(=O)c2ccc(C)cc2)nc1-c1ccccc1 29847291 UCPDAQWYROMXAR-UHFFFAOYSA-N 364.426 4.143 0 40 FIAB S=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 33704760 KVDDNZXYTULNOJ-UYWIDEMCSA-N 367.562 4.278 0 40 FIAB CC(C)NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 35291055 BPKZHHWHYFAGEN-UHFFFAOYSA-N 373.909 4.355 0 40 FIAB Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCC4)c(=O)c23)cc1C 35672143 GRNURNPNYVGKLO-UHFFFAOYSA-N 365.433 4.282 0 40 FIAB O=C(Nc1sccc1C(=O)O)c1ccc(Br)cc1Cl 37366730 KXRCNOXFEQGGAD-UHFFFAOYSA-N 360.616 4.115 0 40 FIAB in-vitro O=C(Cc1noc2ccccc12)OCc1cc(-c2ccc(F)cc2F)on1 38767239 VZRWEZVRKABBTP-UHFFFAOYSA-N 370.311 4.047 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@@H](C)c1cc(C)sc1C 40080958 FLNSQQFGTRYYPL-JSGCOSHPSA-N 354.475 4.057 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccn(-c2ccccc2F)n1 40146863 KZFCGSCVVOMBCD-UHFFFAOYSA-N 367.468 4.234 0 40 FIAB CC(C)C[C@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1cccs1 40157318 HGVFFWHHNVKMDY-HNNXBMFYSA-N 370.478 4.029 0 40 FIAB Cc1ncc(NC(=O)CC(C)C)n1-c1nc(-c2ccc(F)cc2)cs1 41124368 MMDMWRDCAHXRCH-UHFFFAOYSA-N 358.442 4.428 0 40 FIAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933431 ILTYFJLVWKILFS-FXAWDEMLSA-N 354.469 4.224 0 40 FIAB CCCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079105 ZGGPGOLXJZVPPA-UHFFFAOYSA-N 368.452 4.339 0 40 FIAB O=C(CCCc1nc2ccccc2[nH]1)Nc1nc(-c2ccco2)cs1 47170991 JWNRLEWKIRLXDD-UHFFFAOYSA-N 352.419 4.241 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(Br)s1 48356035 YSKKKMWPKIGJRT-NSHDSACASA-N 370.337 4.449 0 40 FIAB O=C(NCc1ccc(Cl)cc1)N1CCC(COCc2ccccc2)CC1 49028867 BXOMZZGPPKDJOO-UHFFFAOYSA-N 372.896 4.478 0 40 FIAB O=C(NC1CCN([C@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 57986629 UJMYDXIXYMUQJD-NRFANRHFSA-N 352.453 4.098 0 40 FIAB O=C(/C=C/c1cccc(Cl)c1Cl)N1CCC[C@@H](c2ccn[nH]2)C1 60740471 QVRVXVXGCVXHQE-KTRBRXNASA-N 350.249 4.136 0 40 FIAB C[S@@](=O)c1ccc(C(=O)Nc2ncccc2OCC2CCCCC2)cc1 69351017 MTDKLDCZJJKNSP-SANMLTNESA-N 372.490 4.030 0 40 FIAB c1ccc(CCN2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377577 HZJGSFMDOKWYKT-QGZVFWFLSA-N 351.479 4.056 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1C[C@@H]1c1ccccc1F 95347432 NYXCCWCJDBZEPG-CHWSQXEVSA-N 361.800 4.383 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)[C@@H](C)c3c(C)n[nH]c3C)s2)cc1F 96010460 OHIGOMNBIHRPBX-NSHDSACASA-N 372.469 4.264 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 218972185 JHSVLVKIJMKPAQ-GOSISDBHSA-N 355.478 4.299 0 40 FIAB CCc1ccc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 224259301 GENDJWOWNSNWNS-UHFFFAOYSA-N 361.869 4.093 0 40 FIAB CCCCOCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCC 224733225 WQIKBPUGQPZFIF-UHFFFAOYSA-N 359.441 4.471 0 40 FIAB CCOC(=O)c1cc(NC(=O)Cc2ccc(OC)c(C)c2)ccc1Cl 224873658 MNCXXHGRNAJQRZ-UHFFFAOYSA-N 361.825 4.015 0 40 FIAB CCCC[C@H](CC)CNS(=O)(=O)c1cc2c(cc1OC)CCCC2 225119439 JQQFDKMPHAUPGB-HNNXBMFYSA-N 353.528 4.069 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCCC1 225656178 HRIKFKNTEGAKRB-UHFFFAOYSA-N 355.862 4.043 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 225718197 RFNNUUALHKBBIZ-INIZCTEOSA-N 360.479 4.150 0 40 FIAB Cc1cc(C)nc(Nc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)n1 225913378 RCFDRSZQWUQEKM-OAHLLOKOSA-N 364.424 4.467 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1 226268237 QPOPPMBZIXQEBA-OAHLLOKOSA-N 353.466 4.299 0 40 FIAB COc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc1 226272167 LMLFKZDRRALWDF-UHFFFAOYSA-N 364.323 4.337 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 242789905 DZBAUJPIZPUIBC-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB O[C@H](CNCc1ccc(OCc2cccc(F)c2)cc1)c1ccc(F)cc1 521402304 IODPBBSHKUBOCI-JOCHJYFZSA-N 369.411 4.367 0 40 FIAB COC(=O)c1nc(NC(=O)[C@H](CC(C)C)n2cccc2)sc1C(C)C 575442949 DLAUYUPBPOAPPM-ZDUSSCGKSA-N 363.483 4.081 0 40 FIAB CCNc1ncc(C(=O)Nc2cc(-c3cc(C)cc(C)c3)[nH]n2)cc1Cl 1639028446 UWVXBTCAPPFXEU-UHFFFAOYSA-N 369.856 4.426 0 40 FIAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1 863261 SWUNTRKKWDDDEX-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB CC(C)COC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952268 FLZPXCQILWBAHD-HNNXBMFYSA-N 366.413 4.427 0 40 FIAB biogenic Cc1nc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)c2c(C)c(C)sc2n1 1333024 OFFHQWNGXLENEJ-PHIMTYICSA-N 363.552 4.498 0 40 FIAB Cc1ccc(C(=O)N[C@@H](Nc2ccccc2F)C(=O)c2ccccc2)cc1 1450954 ZXCSKENHNVTZNQ-OAQYLSRUSA-N 362.404 4.185 0 40 FIAB CCCc1ccc(C)cc1OS(=O)(=O)c1ccc(Br)cc1 1562046 NXQIUPWTSLIRBQ-UHFFFAOYSA-N 369.280 4.478 0 40 FIAB Cc1ccc([C@H](O)[P@](=O)(OCC(C)C)c2ccc(N(C)C)cc2)cc1 2399256 COQSVVQACJIPSF-CJFMBICVSA-N 361.422 4.328 0 40 FIAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 2450887 WDUCYEKVEYVINO-MAUKXSAKSA-N 371.506 4.096 0 40 FIAB CCn1nc(C(=O)OCc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 2640522 ILTJDSXKYFNILK-UHFFFAOYSA-N 364.445 4.071 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F 3067838 IDWYRSRIRSQVBS-UHFFFAOYSA-N 366.083 4.397 0 40 FIAB O=C(COc1ncnc2sc3c(c12)CCCC3)Nc1ccc(Cl)cc1 3248929 KVJFIUJKHNBIKR-UHFFFAOYSA-N 373.865 4.241 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(Cl)c1 3497442 BGEISHFNAZVFRS-UHFFFAOYSA-N 370.792 4.099 0 40 FIAB O=C(CCCOc1ccc(Br)cc1)Nc1ccccc1F 3608813 OSDKBGOQIRVAIW-UHFFFAOYSA-N 352.203 4.386 0 40 FIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)Cc2ccc(F)cc2)c1 4120334 HIYCTBDEUYCWSJ-UHFFFAOYSA-N 356.466 4.117 0 40 FIAB CC(=O)CC(C)(C)N(CCCCCCN(N=O)C(C)(C)CC(C)=O)N=O 4778149 SUXRTBGZFDSLEU-UHFFFAOYSA-N 370.494 4.029 0 40 FIAB Cc1ccn2c(NCc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc2c1 4848446 RMNOPEFPXPCWOO-UHFFFAOYSA-N 373.412 4.356 0 40 FIAB CSc1ccccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127320 NDZYPBAHXYJWML-UHFFFAOYSA-N 359.491 4.107 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(Br)c(C)c2)cc1 5241888 KQQLWJKHJSXEKN-UHFFFAOYSA-N 366.280 4.497 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2ccccc2)CC1 5261835 SYTYHZXKJSJOGQ-UHFFFAOYSA-N 369.515 4.142 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1ccc(Br)o1 5670528 CBSLZOCVCCQLMN-UHFFFAOYSA-N 362.980 4.196 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 6049572 XMRPCKOYULWHMX-AWEZNQCLSA-N 370.877 4.227 0 40 FIAB CCOc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1 6350540 QYRRQNTZNALMNM-UHFFFAOYSA-N 366.442 4.071 0 40 FIAB Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)s1 6790171 YOLKXCPEMVPISS-UHFFFAOYSA-N 371.487 4.156 0 40 FIAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccccc1Cl 7260039 QZABUNNKXXTVDL-VIFPVBQESA-N 364.883 4.306 0 40 FIAB C[C@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1nc2ccccc2s1 7689187 SSZLTGDYUQVBEN-GFCCVEGCSA-N 359.882 4.409 0 40 FIAB COc1ccc(-c2nc(C(=O)NCc3ccccc3C)cs2)cc1OC 7965982 KEJYDJCJZSSENN-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB CCN(c1ccc(-c2csc(-c3ccsc3)n2)cc1)S(C)(=O)=O 8102808 YSBXPWXGSAWDAS-UHFFFAOYSA-N 364.517 4.325 0 40 FIAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 8110926 HFTCRZZDQMMEMY-UHFFFAOYSA-N 369.469 4.040 0 40 FIAB CCc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1-c1ccccc1 8715191 NMQYSLHDXVECDH-UHFFFAOYSA-N 361.232 4.389 0 40 FIAB CCOC(=O)c1c(N)c(C(=O)c2ccc(C(C)(C)C)cc2)n2ccccc12 9316423 CVNKFQBOXQGVFF-UHFFFAOYSA-N 364.445 4.227 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](Sc1ncccn1)c1ccccc1 9483139 WIIDPMLNXYUMFY-GOSISDBHSA-N 365.458 4.266 0 40 FIAB COc1ccccc1NC(=O)NCc1ccc(COCC(F)(F)F)cc1 10383000 RUZPQYYMOYDJJD-UHFFFAOYSA-N 368.355 4.096 0 40 FIAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCc1ccccc1 12232659 JWGLSYPDCSPCFT-UHFFFAOYSA-N 350.443 4.085 0 40 FIAB CCCc1ccc(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1 12551573 SHPKOQLHULTUTO-UHFFFAOYSA-N 363.446 4.286 0 40 FIAB CN(Cc1ccccc1Cl)C(=O)c1c[nH]c(=S)n1-c1ccccc1 12606605 XAJGBGCAFIMIDY-UHFFFAOYSA-N 357.866 4.460 0 40 FIAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CNC(C)(C)CC 12617207 DUAJEKALOZQCST-UHFFFAOYSA-N 374.506 4.309 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccco3)n2)cc1 12735279 JMXZUGDTMHMANT-UHFFFAOYSA-N 362.476 4.101 0 40 FIAB COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCCC2)c1 12977110 RRNLZINKIFXBEO-LJQANCHMSA-N 373.884 4.307 0 40 FIAB CCC[C@@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 12981233 AXTAZMOFPYWEEF-SNVBAGLBSA-N 359.779 4.463 0 40 FIAB COc1cc(CNCCC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1 13724578 ZBXQDGRMVXPNQM-UHFFFAOYSA-N 370.493 4.157 0 40 FIAB O=C(CSc1nnc(Nc2ccccc2Cl)s1)N1CCCCC1 14134648 RZQCVGDPJBJBPP-UHFFFAOYSA-N 368.915 4.040 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 14291399 GSAWQCKAMARFEO-UHFFFAOYSA-N 368.216 4.431 0 40 FIAB Fc1ccc(F)c(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 15081211 IGGWOGTYKNHSCK-UHFFFAOYSA-N 362.792 4.235 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 22417823 JDAUMCYASCAZSW-CQSZACIVSA-N 367.367 4.020 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N2CCCc3ccccc32)cc1OC 22508874 BHCKDQFMZITKDD-CQSZACIVSA-N 357.475 4.164 0 40 FIAB Cc1ccc2oc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)cc(=O)c2c1 23505006 NADQGCYVHVFYQM-LBPRGKRZSA-N 357.356 4.213 0 40 FIAB CN(C)[C@@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1cccs1 23718180 HKPAGEVOPNJLNC-AWEZNQCLSA-N 357.306 4.017 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 24033463 RUIREYAUZNMPDS-UHFFFAOYSA-N 369.446 4.177 0 40 FIAB O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NCCc1ccccn1 24843075 SDERDFGSROXGSY-RMKNXTFCSA-N 352.381 4.066 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2cc(C)cc(C)c2)c1 25079124 HSHGVNGNUHJFPX-MRXNPFEDSA-N 373.518 4.431 0 40 FIAB COc1ccc([C@H]2CCCCCN2C[C@@H](O)COc2ccccc2F)cc1 25302152 IXBUGEWJPBWPTL-WIYYLYMNSA-N 373.468 4.191 0 40 FIAB Cc1ccc2oc(C(=O)Nc3cc(-c4ccc(F)cc4)no3)cc(=O)c2c1 27912419 MCGBYKMQRDEIFC-UHFFFAOYSA-N 364.332 4.148 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289297 LAEQBXNBSNDRCU-HXUWFJFHSA-N 368.521 4.090 0 40 FIAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCn2c1nc1ccccc12 30604298 WEMDZNLNGRUTCP-UHFFFAOYSA-N 374.469 4.052 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc2c(nc3sccn32)s1 30678965 SMQWZASGLUEBOE-UHFFFAOYSA-N 371.443 4.024 0 40 FIAB Cc1ccc(SCCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462232 NZNQUOYUQWZRKT-UHFFFAOYSA-N 368.546 4.389 0 40 FIAB CCSc1nnc(NC(=O)c2csc(-c3ccsc3)n2)s1 32768120 ZJPJRVQNQITDMC-UHFFFAOYSA-N 354.507 4.087 0 40 FIAB C[C@@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)c1ccc(Cl)cc1 32789412 PKTLUMXUWKYNCB-CYBMUJFWSA-N 374.893 4.335 0 40 FIAB Cc1cc(CN(C)Cc2nc3ccccc3n2[C@H](C)c2ccccc2)[nH]n1 36752950 CVEAIIRLOGDXNP-QGZVFWFLSA-N 359.477 4.309 0 40 FIAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c1 40267139 FYMUVKSRSNCFNL-INIZCTEOSA-N 367.380 4.152 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2ccnc2)cc1 44900744 MEMPVFPBYVLSAN-QGZVFWFLSA-N 371.440 4.109 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cc(F)ccc1Cl 51319210 BWKIOQHPUALYLX-UHFFFAOYSA-N 369.830 4.321 0 40 FIAB CC[C@](C)(NC(=O)Cc1csc(Cc2ccccc2)n1)C(F)(F)F 72298241 CGYIYSDUWZKWIX-INIZCTEOSA-N 356.413 4.124 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cc1OCC 72313239 IJRYFTFPKUHPTM-UHFFFAOYSA-N 356.466 4.106 0 40 FIAB Cc1ccc(N(CCc2nc3ccccc3c(=O)[nH]2)Cc2ccccc2)cc1 78623772 BEXCLIHZOMQXEV-UHFFFAOYSA-N 369.468 4.481 0 40 FIAB Cc1noc(C)c1CSc1ccccc1C(=O)N(C)CCOCC1CC1 79071195 OAICSEFPMHMWBO-UHFFFAOYSA-N 374.506 4.082 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)c1C 79140380 ROJGYDGESXHTAL-UHFFFAOYSA-N 365.408 4.215 0 40 FIAB O=C(C[C@H]1CC(=O)Oc2cccc(Cl)c21)Nc1ccc(Cl)cc1 80345783 PSBGRVDPRDARRE-JTQLQIEISA-N 350.201 4.415 0 40 FIAB C[S@](=O)C[C@H](NCc1csc(-c2ccccc2F)n1)c1ccccc1 95462652 CJZPEUYADWFWQQ-AVRWGWEMSA-N 374.506 4.159 0 40 FIAB CCCCCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2ccccc21 100498423 HKBVNQSEBKALLE-UHFFFAOYSA-N 350.418 4.150 0 40 FIAB COc1ccc(C2=C[C@H](c3cccc(Cl)c3)n3ncnc3N2)cc1OC 101513300 OIZVCYXKYUAEDM-MRXNPFEDSA-N 368.824 4.005 0 40 FIAB C[C@@H]1[C@@H](NC(=O)CSc2ccc(Br)cc2)CCC[C@H]1C 102162731 ZLMSUHHWPVTRPX-XUJVJEKNSA-N 356.329 4.482 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 219516495 GZSHQBFQLXHSTJ-SFHVURJKSA-N 355.478 4.218 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccccc2Cl)c2ccccc12 222612060 UVSWKOCBDPXDJO-GFCCVEGCSA-N 357.793 4.189 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222752742 WNKHZFMGOGAUOC-MRXNPFEDSA-N 372.896 4.174 0 40 FIAB Cc1ccc(SCC(=O)NCCOc2cccc3ccccc23)cc1 223508375 ZNMSIDNZKLAKMT-UHFFFAOYSA-N 351.471 4.436 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(-c2ccccc2)s1 224425702 GFYTVEIBHNZDPV-INIZCTEOSA-N 353.447 4.310 0 40 FIAB O=C(CSCc1ccccc1)NCc1cccc(CN2CCCCC2)c1 224645100 YCGVDSZSNDFBNC-UHFFFAOYSA-N 368.546 4.222 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2Cl)cc1 225264069 KUTNYXXJUXZANT-GFCCVEGCSA-N 350.871 4.103 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c(C)c1 225465680 UFYGSPKISAPTNT-AWEZNQCLSA-N 372.490 4.228 0 40 FIAB O=C(Cc1cccc(Br)c1)NCCSC1CCCCC1 225614390 DVXZQTWFDCIILJ-UHFFFAOYSA-N 356.329 4.174 0 40 FIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225824808 ZDUGPYQEDOKYEX-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB S=C(Nc1nc(Cl)cc(N2CCCCCC2)n1)NC1CCCCC1 226009553 PRTRERZNFBKDDD-UHFFFAOYSA-N 367.950 4.130 0 40 FIAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)C1 231427206 OBTVQDXULWUSOW-IUCAKERBSA-N 356.702 4.313 0 40 FIAB CCCCc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408708949 NNQJTYMEJHNIPK-UHFFFAOYSA-N 352.478 4.408 0 40 FIAB COc1ccc2c(c1)CCCN(C(=O)N[C@H](c1ncccc1C)C(C)C)C2 522396341 YAMFSKSUIUOHOR-FQEVSTJZSA-N 367.493 4.254 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CCc2n[nH]cc2C1 535991273 UIRZEDXVKXPJMJ-JTSKRJEESA-N 371.440 4.167 0 40 FIAB CC(C)N1CCC2(CC1)C[C@H](NC(=O)c1cccs1)c1ccccc1O2 585105941 MSUFAJVQMBKSKK-KRWDZBQOSA-N 370.518 4.245 0 40 FIAB Cc1[nH][nH]c(=NC(=O)c2ccc3ncsc3c2)c1-c1cccc(Cl)c1 608468803 ZGURKDJTXVDNPV-UHFFFAOYSA-N 368.849 4.322 0 40 FIAB COc1cncc(CN2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)c1 2037989031 SCTJKFWLNVJJSN-JOCHJYFZSA-N 369.484 4.253 0 40 FIAB CC[C@H](C(=O)OC)c1ccc(C2CN(C(=O)OCc3ccccc3)C2)cc1 2362804673 HQVOZNLGUDGCTQ-FQEVSTJZSA-N 367.445 4.089 0 40 FIAB Cc1ccc2cccc(NC(=S)NC(=O)/C=C/c3ccc(F)cc3)c2n1 849466 OMXCHFWCPIBNIV-XYOKQWHBSA-N 365.433 4.209 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 907548 XIOXIQBSEZXPAV-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB Cc1ccc(C)c(OCc2nn3c(-c4cccc(F)c4)nnc3s2)c1 1018177 NLWVNOPKJGTNNA-UHFFFAOYSA-N 354.410 4.188 0 40 FIAB Cc1ccc(C)c2nc3sc(C(=O)NCc4ccco4)c(N)c3cc12 1342981 LRUCKJNJMYWZFA-UHFFFAOYSA-N 351.431 4.172 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@@H](C)[C@H](C)[C@H]3O 1489706 YPUTYHJWWMYIGF-OAVHHTNSSA-N 372.461 4.300 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCCC[C@H](C(=O)Nc2ccccc2)C1=O 1710579 YQIUJBKGGXUMMG-OALUTQOASA-N 364.445 4.029 0 40 FIAB COCCCn1c(-c2ccccc2Cl)nc2nc3ccccc3nc21 2400289 BELAHXGERPQOCM-UHFFFAOYSA-N 352.825 4.336 0 40 FIAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NC1CCCCC1 3263635 VXMQIQOLLQDNGK-UHFFFAOYSA-N 353.418 4.085 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)cc1 3271005 WUUBHBNHBJRYOD-HNNXBMFYSA-N 367.445 4.371 0 40 FIAB Cc1cc(OCCCC(=O)Nc2nnc(C3CC3)s2)ccc1Cl 3552722 WXJATNJPEOEDOB-UHFFFAOYSA-N 351.859 4.175 0 40 FIAB Clc1ccccc1-c1nnc(Nc2nc3cc4c(cc3s2)OCO4)o1 4137831 XAJFZDJSSPAAJW-UHFFFAOYSA-N 372.793 4.472 0 40 FIAB Fc1cccc(Cl)c1CSc1ccc2nnc(-c3ccccn3)n2n1 4327230 BCVABUXAUUEWPV-UHFFFAOYSA-N 371.828 4.271 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)c3ccc(SC)cc3)nc12 4517689 ZTZXZACJAHSCOX-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1Cl 4834792 NZYADEATUWYYKB-UHFFFAOYSA-N 374.849 4.271 0 40 FIAB CC(=O)c1c(C)nn(CCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C 4937323 PNPPAVQTAITFQN-UHFFFAOYSA-N 354.237 4.038 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccnn1Cc1ccccc1 5089756 FICYTKGQQLNTOE-UHFFFAOYSA-N 359.351 4.131 0 40 FIAB Cc1ccc(NC(=S)NC(=O)c2ccccc2Br)c(C)c1 5587836 SWNINXWMMFYPEY-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2C)c(C)c1 5652611 AIGPBWHVQLANNL-PBHICJAKSA-N 372.490 4.007 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)NC1CCCCC1 6344245 IZVMBDHMGAKGMD-UHFFFAOYSA-N 351.450 4.071 0 40 FIAB COC(=O)c1cc(COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)oc1C 6549129 HTPMJERTBBKOEC-GQCTYLIASA-N 369.200 4.438 0 40 FIAB CC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)nc1C 6790635 LNFJKKYVNLJIJW-SECBINFHSA-N 373.261 4.367 0 40 FIAB CNc1nnc(SCC(=O)Nc2ccc3oc4ccccc4c3c2)s1 7101760 BBYFYDNVLBNYKA-UHFFFAOYSA-N 370.459 4.210 0 40 FIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccccc1Cl 7129134 SBJSBUQVVQRKJM-LBPRGKRZSA-N 360.866 4.196 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1OCC 7360999 XDJQVSZUMBTAHL-UHFFFAOYSA-N 371.458 4.438 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1cc(Cl)ccc1N1CCOCC1 7989451 AKYLZVGYIQSWIJ-UHFFFAOYSA-N 365.260 4.011 0 40 FIAB Cc1cc2c(cc1C)CN(CC(=O)Nc1cccc(Br)c1)C2 8367566 NKBRXQPDHBVNTO-UHFFFAOYSA-N 359.267 4.020 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)c1cccs1 8514599 ZTTJPNYAWHWECN-CYBMUJFWSA-N 368.380 4.010 0 40 FIAB Fc1ccc(OCCCN2CCN(c3nsc4ccccc34)CC2)cc1 9486220 ITXYIMJZHKRMHG-UHFFFAOYSA-N 371.481 4.027 0 40 FIAB Cc1cc(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)ccc1F 10613025 VWCCJHPZSOPBDH-UHFFFAOYSA-N 374.362 4.316 0 40 FIAB CCn1c(NC(=O)c2sc(-c3ccccn3)nc2C)nc2ccccc21 10652035 RPSPFPVUMFYFCD-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C 10684217 PJIILXILAZDDML-LPHOPBHVSA-N 368.477 4.319 0 40 FIAB O=C(CSc1ccncc1)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188107 IIJCHABXGBIUAN-SFHVURJKSA-N 363.486 4.128 0 40 FIAB CCOCCCNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 12221247 VISCQCLLGNEARR-UHFFFAOYSA-N 357.845 4.026 0 40 FIAB CCOCc1cc(CN2CCC[C@H]2c2cc3cccnc3[nH]2)ccc1OC 12222176 BLNNQPKJKVBZJO-FQEVSTJZSA-N 365.477 4.445 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cccc(C(F)(F)F)c3)c12 12787200 CHKHHUZDXYOBJT-UHFFFAOYSA-N 374.366 4.425 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H]3c3cccs3)c2O1 12801295 LMRGSFWJIJZRHV-HNNXBMFYSA-N 357.475 4.204 0 40 FIAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccccc2)cc1 12818314 XYJVJDNLZOZJGT-HXUWFJFHSA-N 359.425 4.266 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)NCCc1cccc2cccnc12 12898137 OTULRSWHSBAIHS-UHFFFAOYSA-N 371.440 4.181 0 40 FIAB C[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 12979067 UBEDJNIBWMRXIN-NSHDSACASA-N 366.244 4.185 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2c(O)ccc3ccccc23)c1 17072728 YJARVBMFGBAGCX-UHFFFAOYSA-N 350.443 4.289 0 40 FIAB CCOC(=O)c1ccccc1NC(=S)Nc1ccc(F)c(Cl)c1 17073115 ZGCOUMZSQOBEAM-UHFFFAOYSA-N 352.818 4.465 0 40 FIAB CCN(C1CCCCC1)S(=O)(=O)c1cc(C(C)C)c(C)cc1OC 17287409 MMIFSSJYPPXFCO-UHFFFAOYSA-N 353.528 4.470 0 40 FIAB O=C(Nc1cccc(C2SCCS2)c1)c1cc(=O)[nH]c2ccccc12 17368972 CKIZXRIGAUHSIN-UHFFFAOYSA-N 368.483 4.259 0 40 FIAB O=C(CCC(=O)c1ccccc1)OCc1cc(Cl)c2c(c1)OCCCO2 17664802 WTABCRVEOMASCS-UHFFFAOYSA-N 374.820 4.208 0 40 FIAB Cc1ccoc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18157675 SLLDZULAKPDYRX-UHFFFAOYSA-N 357.413 4.371 0 40 FIAB c1cc(CCNc2nnc(-c3ccsc3)c(-c3ccsc3)n2)ccn1 19405107 GOLNHXKPEOFGSM-UHFFFAOYSA-N 365.487 4.378 0 40 FIAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(C)cc2)cc1OC 19933635 JKTAZOORRZTIFX-HNNXBMFYSA-N 359.491 4.123 0 40 FIAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)CSc1ccccc1 20610934 YTMAJYFJYUCWRF-UHFFFAOYSA-N 374.469 4.460 0 40 FIAB O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1 20634681 VKKUHVLGNNAVNF-AWEZNQCLSA-N 353.777 4.042 0 40 FIAB CCCCSc1nnc(S[C@@H](C)C(=O)NCc2cccs2)s1 21605297 NKCVAAXKCXHWRJ-JTQLQIEISA-N 373.594 4.289 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc2nc(C)n(-c3ccccc3)c(=O)c2c1 23143739 YBFQOGNYCXJPFE-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)noc1C 23654466 LFKBNINUDBTTFQ-UHFFFAOYSA-N 363.417 4.042 0 40 FIAB Cc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)on1 24504148 KFDGQOJQWJCRDH-OAHLLOKOSA-N 363.417 4.069 0 40 FIAB C[C@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1Cl 24808539 HRWVRJRPXOSOQI-SJCJKPOMSA-N 351.277 4.474 0 40 FIAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1CCOCC1 24935586 CJJZYVLBMWZMDK-NRFANRHFSA-N 363.413 4.062 0 40 FIAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)c(F)c1 25214110 RMNQBMAGBPQPRX-VIFPVBQESA-N 360.282 4.303 0 40 FIAB Cc1ccc(-c2noc(CS[C@@H](C)C(=O)Nc3ccccc3F)n2)cc1 28909099 XEKAARCVMMCBEP-ZDUSSCGKSA-N 371.437 4.445 0 40 FIAB Cc1c(C(=O)N2CC[C@@H](C)Sc3ccccc32)cnn1-c1ccccn1 31895277 AEXLFDTVXAHCFS-CQSZACIVSA-N 364.474 4.107 0 40 FIAB COc1ccc(-c2nc(NC(=O)CCc3ccccc3O)sc2C)cc1 32858137 WCEZWCJVKNZYMM-UHFFFAOYSA-N 368.458 4.404 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)N(C)C 33026534 STWWCCUZLUPTTK-IUODEOHRSA-N 368.955 4.301 0 40 FIAB COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccccc2)C3)cc1 35289828 SCAGAINRVULABU-SEJPIABJSA-N 364.489 4.011 0 40 FIAB Fc1ccc(Nc2nc(NCCc3cccs3)nc3nccnc23)cc1 35681968 OAESMOQKWVHPLS-UHFFFAOYSA-N 366.425 4.019 0 40 FIAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44932973 CABHMTIXRDPSCZ-SIKLNZKXSA-N 366.480 4.232 0 40 FIAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 45890248 IDUYZCZUXJXMMC-UHFFFAOYSA-N 353.249 4.464 0 40 FIAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(c2ccc(F)cc2)CC1 54582786 LOHBSUSSGIYULC-CQSZACIVSA-N 374.410 4.454 0 40 FIAB Nc1c(Cl)cc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1Cl 54652473 XMBMSDYLEPIHQD-CQSZACIVSA-N 350.205 4.032 0 40 FIAB Cc1ccc(Oc2ccc(C(=O)NCc3ccccc3Cl)cc2)nn1 56906611 NJNWXHZWLDOIIW-UHFFFAOYSA-N 353.809 4.161 0 40 FIAB O=C(NC1CCN(C(=O)c2cc3ccccc3s2)CC1)C1CCCCC1 58224197 RMYNRBAHZSYYJP-UHFFFAOYSA-N 370.518 4.202 0 40 FIAB COc1cc(C(=O)N2CCC(n3cccc3)CC2)ccc1OC1CCCC1 60448774 QHCNNLQSBBBIGB-UHFFFAOYSA-N 368.477 4.295 0 40 FIAB COc1ccc(-c2noc(C3(c4ccc(Cl)cc4)CCOCC3)n2)cc1 71890044 VRZZHNBIYNBWPF-UHFFFAOYSA-N 370.836 4.495 0 40 FIAB c1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1 72273523 XKCDSUOHZGHXFF-UHFFFAOYSA-N 357.413 4.381 0 40 FIAB CC(C)c1nccn1-c1cncc([C@H]2CCCN(C3CCCCC3)C2)n1 72355522 XNVDQWVKMOKSNP-KRWDZBQOSA-N 353.514 4.298 0 40 FIAB O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NC1CCCCCCC1 79479531 GUDYLUGMOXWDRL-UHFFFAOYSA-N 366.465 4.380 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Oc3cccc(F)c3)c12 89567360 VKDCQDWLIARERE-UHFFFAOYSA-N 361.376 4.302 0 40 FIAB CCn1c2nc(S)nnc2c2cc(C(C)(C)C)cc(Br)c21 96319343 DIXBZQPOIUMNRQ-UHFFFAOYSA-N 365.300 4.348 0 40 FIAB COc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102063878 LNLZHMCOEPQZLX-NRFANRHFSA-N 354.413 4.496 0 40 FIAB Cc1cc(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc(C(C)C)n1 105129278 JFQZZRBLBNHNQS-NRKLIOEPSA-N 361.555 4.330 0 40 FIAB CCNc1nc(S[C@@H](C)c2nnc(CC(C)C)o2)nc2ccccc12 110140018 QHKUQQHAAOFVDR-LBPRGKRZSA-N 357.483 4.496 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)c1ccc(Cl)cc1 206900933 YWWGEIFNYGIOGM-RIYZIHGNSA-N 363.847 4.321 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cc(C)ccc1C 224029770 GKRFEAVGINSVHT-SFHVURJKSA-N 361.869 4.309 0 40 FIAB CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1 224724855 NORNZVZMZOACFH-UHFFFAOYSA-N 368.296 4.398 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 224836246 YTUOQLMJQPGKPY-LJQANCHMSA-N 366.505 4.065 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C 225253933 ITYOCDHCWZCUSZ-UHFFFAOYSA-N 366.461 4.010 0 40 FIAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1cc2cc(F)ccc2s1 225620225 NHOBBHMDPBWEBH-IBGZPJMESA-N 370.449 4.333 0 40 FIAB CO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC[C@@H](C)C1 225636208 TXRGIEXBGRNBBS-XMSQKQJNSA-N 374.525 4.085 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1c(F)cccc1F 225740519 XQCDMQDGPWHGIR-ZDUSSCGKSA-N 361.461 4.093 0 40 FIAB COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)c2ccccc12 225916208 CBPBRKBHUNZYDE-UHFFFAOYSA-N 355.434 4.110 0 40 FIAB CCCCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1C(C)C 231431435 FFDKYTWYDXOVKT-UHFFFAOYSA-N 350.484 4.039 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(Cl)ccc4O)OCC[C@@]31C2 257322861 WHSXLUCAPJTMRQ-VLRUMRAESA-N 363.885 4.064 0 40 FIAB CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@H]1CC 299888705 UNBMQQNYLCPCHS-SOSXZJSZSA-N 352.515 4.159 0 40 FIAB Cc1cc(N2CCC(N[C@H](C)c3cccc(-c4ccncc4)c3)CC2)n[nH]1 527372725 JNDHZSBBFGDSLW-QGZVFWFLSA-N 361.493 4.100 0 40 FIAB Nc1c2c(nc3c1cnn3-c1cccc(F)c1)C[C@H](c1ccccc1)CC2=O 584906220 MWSWGMYZFZJAKM-AWEZNQCLSA-N 372.403 4.055 0 40 FIAB CC(C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC[C@@H]21 585107997 SSSRNBUZKPXCEU-AFYVEPGGSA-N 360.929 4.022 0 40 FIAB CCCOC(=O)[C@@H](C)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 1307512609 FGDFJLKFKYVAIX-TZMCWYRMSA-N 360.281 4.178 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775973356 QVZQSHBWBRYWLM-UHFFFAOYSA-N 350.397 4.142 0 40 FIAB C[C@@]12CCCC(=O)N1c1ccccc1-c1nc(-c3ccccc3Cl)nn12 1776004277 PUHZFYYRCQXYFP-HXUWFJFHSA-N 364.836 4.469 0 40 FIAB COc1ccc(-c2oc3ccc(-c4nc(C)no4)cc3c2CC(=O)O)cc1 1776111498 BVHXDKYHRHLXNC-UHFFFAOYSA-N 364.357 4.094 0 40 FIAB Clc1cnc2nc(C3CCN(c4ccnc(C5CC5)n4)CC3)ccc2c1 1888903891 QKQDAWOYVBGTRC-UHFFFAOYSA-N 365.868 4.335 0 40 FIAB O=C1CN(c2nc(-c3ccccc3)c3ccccc3n2)c2ccccc2N1 754030 CXRUIVVPUVVJFZ-UHFFFAOYSA-N 352.397 4.387 0 40 FIAB CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC[C@@H]2CCCO2)cc1 888787 NAGUYFMKUFMXJA-KRWDZBQOSA-N 370.884 4.312 0 40 FIAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C)ccc3C)C2=O)c(C)c1 945233 SEBRYTZQXXYJFS-UHFFFAOYSA-N 354.837 4.356 0 40 FIAB CC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCCC1 947734 LJLNBQFDZPDWCL-UHFFFAOYSA-N 350.509 4.261 0 40 FIAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CC3)c2c1 1367428 DUWZATXPKJXVSX-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 1461456 BLBFNKHSCVAMNV-INIZCTEOSA-N 351.446 4.251 0 40 FIAB CCOP(=O)(OCC)c1nc(C(C)C)oc1NCc1ccccc1 2345248 ZNOFVIRZUPSEQB-UHFFFAOYSA-N 352.371 4.302 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1 2713236 FSWYQMKVPIZQPV-UHFFFAOYSA-N 374.366 4.464 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(F)cc1Cl 3231664 LGVWXNVXKRIAKB-UHFFFAOYSA-N 363.816 4.399 0 40 FIAB Cc1ccc(C)c(OCCSc2nnc(-c3ccccc3F)n2C)c1 3495861 YMCZSPTYVKETRC-UHFFFAOYSA-N 357.454 4.409 0 40 FIAB S=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1cccs1 4088180 MRIYDMWXBFWLNO-SFHVURJKSA-N 353.516 4.029 0 40 FIAB C=CCn1c(-c2ccccc2)csc1=NNc1ccc([N+](=O)[O-])cc1 4194355 ICRWJXKZXUJSEA-UHFFFAOYSA-N 352.419 4.239 0 40 FIAB O=C(CCSc1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3 4348708 DMSFICDIGJVUKY-UHFFFAOYSA-N 372.471 4.188 0 40 FIAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccccc1 4704249 OTMSRCBVIQWODL-UHFFFAOYSA-N 360.413 4.007 0 40 FIAB CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)O1 4946284 PQAKWFPNNZNIJB-CRIJSPGESA-N 350.499 4.312 0 40 FIAB CC[C@@H](C(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)ccc12)c1ccccc1 5047389 QOEZSSAIMCHGPO-OAHLLOKOSA-N 366.417 4.095 0 40 FIAB C=C1c2cc3c(cc2CCN1C(=O)c1c(F)cccc1Cl)OCCCO3 5354770 FXBNDDQKCVMGJS-UHFFFAOYSA-N 373.811 4.310 0 40 FIAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1N1CCCC1=O 5439963 YWEZSFASAQFWBG-UHFFFAOYSA-N 352.434 4.161 0 40 FIAB Cc1ccccc1Nc1nnc(SC[C@H](O)COc2ccccc2)s1 7032343 DZQHILVEEAQRAF-CQSZACIVSA-N 373.503 4.122 0 40 FIAB CCc1nnc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)s1 7347787 IWWQEGHLXRDDNH-GQCTYLIASA-N 361.776 4.425 0 40 FIAB COc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(C)C 8049447 SWIGJUIYBYZXSU-UHFFFAOYSA-N 371.568 4.163 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Cl)cc1F 8281735 LQVSORINKIKRDH-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8316237 NZXQECJNKCFHMC-KRWDZBQOSA-N 356.397 4.356 0 40 FIAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 8475641 GIDUXRJKVQMUDC-UHFFFAOYSA-N 367.836 4.395 0 40 FIAB O=C(Nc1nnc(C(F)(F)F)s1)C(c1ccccc1)c1ccccc1 8768695 KVZDSTPQXDKTOJ-UHFFFAOYSA-N 363.364 4.328 0 40 FIAB O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1C(F)(F)F 8873159 DKVMFKYQPSLWFW-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB Cc1c(C)n(-c2ccccc2Cl)c2ncn3nc(-c4ccncc4)nc3c12 9423375 NTPNIJMJGCDYJP-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCCc1nc2cc(Cl)ccc2s1 9513771 FZFWQQLGHQFDLF-UHFFFAOYSA-N 369.877 4.332 0 40 FIAB C[S@](=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 9900769 HBKHQGPIMQJFMV-IQGLISFBSA-N 373.474 4.144 0 40 FIAB NC(=O)c1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 10030411 JWKWAVDOBCMIOP-IBGZPJMESA-N 362.454 4.258 0 40 FIAB CC(C)c1ccccc1-n1ccnc1S[C@@H](C(N)=O)c1ccccc1 10271502 OWNZNRKZDWVACV-GOSISDBHSA-N 351.475 4.314 0 40 FIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2cccs2)c(C(F)(F)F)c1 10641136 YVRNKJWIOZNSJZ-FNORWQNLSA-N 354.353 4.377 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc(C(F)(F)F)cc1 10677705 SZVAEWOPESTSBV-MRXNPFEDSA-N 355.381 4.135 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 11001490 IOICSMDVDPQDSB-RTGRKSDTSA-N 368.864 4.231 0 40 FIAB C[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1 11005612 HSLCKIKQDSIDMQ-CQSZACIVSA-N 368.458 4.126 0 40 FIAB COc1cc(C(=O)NCCCn2ccc3ccccc32)cc(Cl)c1OC 12561519 WTEQANPIECBMEH-UHFFFAOYSA-N 372.852 4.132 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)c1ccccc1NC(=O)c1cccs1 12759706 JUJBUEDASDVNKH-UHFFFAOYSA-N 368.433 4.412 0 40 FIAB CC[C@H]1CCc2sc(C(=O)Nc3cc(NC(C)=O)ccc3OC)cc2C1 12761179 BMCDVUMINQTSEY-ZDUSSCGKSA-N 372.490 4.482 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)c1csc2c1CCCC2 12820940 NSUFNXPTMAHULR-UHFFFAOYSA-N 354.519 4.021 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(C)c2)cc1 12997810 WELXNASGKNSYCY-UHFFFAOYSA-N 352.463 4.172 0 40 FIAB O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1Cc1ccccc1 13010377 FQCIXRIFPPUWFX-QGZVFWFLSA-N 350.487 4.463 0 40 FIAB CC1(C)CC(=O)c2cn3nc(SCc4ccc(Cl)cc4)nc3nc2C1 13634205 IVNRQNDZPRXGMU-UHFFFAOYSA-N 372.881 4.225 0 40 FIAB CCOc1ccccc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 15582192 SHWPOSNWBUBZQI-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1 15838871 CJRCEEGYPPVPQW-UHFFFAOYSA-N 354.837 4.232 0 40 FIAB CC[C@H](CN1CCCC1)n1cncc1-c1c(-c2ccccc2)nn(C)c1C 19719401 XJDVFMNJLJFPCF-LJQANCHMSA-N 363.509 4.306 0 40 FIAB CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3 20827453 YMTYHYXSRVRIFY-UHFFFAOYSA-N 363.552 4.063 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)cc1 21806712 WEKRAFBGCNXGHC-AWEZNQCLSA-N 351.406 4.013 0 40 FIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1 24828778 IAMPTGQNNQPSQY-ZHACJKMWSA-N 365.820 4.499 0 40 FIAB Cc1cc(C)c(OCC(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c(C)c1 25527677 VGXMEJFYVMWXDO-UHFFFAOYSA-N 366.436 4.196 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cc(Cl)nc2ccccc12)c1cccc(F)c1 29837171 YATPVRSDSYEVQX-SFHVURJKSA-N 371.843 4.060 0 40 FIAB COc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)cc1 31524404 QXRSSQUMKFZGLH-SDNWHVSQSA-N 364.489 4.011 0 40 FIAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc2[nH]ccc2c1 32123970 KENXTJPWTDEIBM-UHFFFAOYSA-N 374.444 4.077 0 40 FIAB biogenic O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc2ccccc2[nH]1 32747982 PPFCZSATFHJQSU-HXUWFJFHSA-N 367.880 4.388 0 40 FIAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccccn3)ccc1O2 38708541 HIVBLHAYIKEDTL-UHFFFAOYSA-N 359.385 4.025 0 40 FIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccnc3S)cn2)c1 40112447 MSXDJDXKZHLDJV-UHFFFAOYSA-N 365.458 4.104 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44900186 DBSYZJRLKYRARA-INIZCTEOSA-N 365.788 4.062 0 40 FIAB CCC(CC)[C@@H](NC(=O)C1CCN(c2ncccn2)CC1)c1cccs1 56008389 CFMHDICJLIDNBD-GOSISDBHSA-N 372.538 4.048 0 40 FIAB CC(C)N(C)c1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1F 65476267 JYVBEJRTMRXHEC-UHFFFAOYSA-N 352.413 4.108 0 40 FIAB Nc1c(Cl)cc(NC(=O)[C@H](c2ccccc2)n2cccn2)cc1Cl 65478173 SDYDZFKXXWFGNT-INIZCTEOSA-N 361.232 4.000 0 40 FIAB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H](c1ccccc1)n1cccc1 70636930 IRJQBUHPYVVKOW-SFHVURJKSA-N 374.362 4.293 0 40 FIAB Cc1cccc2c1ccn2CCC(=O)Nc1nc(-c2ccncc2)cs1 71287512 ZIEFWDZTUYAFCA-UHFFFAOYSA-N 362.458 4.497 0 40 FIAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 71768892 UFBSZQDWAYUPGJ-UHFFFAOYSA-N 369.852 4.449 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1(C)C 71832764 MEEUIKYJQOAXJL-ZSZQSSIHSA-N 362.464 4.146 0 40 FIAB Cc1ccc2oc(C(=O)NCCc3nc(-c4ccncc4)cs3)cc2c1 76094676 HXSWPJTXVNZJHJ-UHFFFAOYSA-N 363.442 4.232 0 40 FIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1c(F)cccc1F 79464480 WMXKVBVTLBSWGV-UHFFFAOYSA-N 367.311 4.354 0 40 FIAB CC(C)[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 91033656 BNBHTMJFCQJHGX-IEBWSBKVSA-N 371.868 4.153 0 40 FIAB Cc1[nH]c(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc2c(c1)COC2 92047725 BFUGDGGRPWFMIA-UHFFFAOYSA-N 353.809 4.321 0 40 FIAB O[C@H](CN(Cc1c(F)cccc1Cl)C1CC1)c1ccc(F)c(F)c1 95353003 XWFZDMMZHRHKLC-GOSISDBHSA-N 355.787 4.455 0 40 FIAB CCOc1ccccc1[C@@H](CC(C)C)NC1CCN(CC(F)F)CC1 95423544 KWOKPNVGESXVNF-GOSISDBHSA-N 354.485 4.492 0 40 FIAB C[C@@]1(NC(=O)Cc2coc(-c3cccs3)n2)CCCc2ccccc21 95950619 DOESETBOERHZJB-HXUWFJFHSA-N 352.459 4.314 0 40 FIAB C[C@@]12CC3CC(C(=O)N4CCN(c5ccccc5)CC4)(C1)C[C@@](C)(C3)C2 101024188 ZDDUIJCYMYKPTG-CDSKWGQSSA-N 352.522 4.332 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5C[C@@H](C)O[C@H](C)C5)(C4)C2)C3)cc1 104001628 QHMHZANMOFTVBP-MLCDXALJSA-N 367.533 4.469 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccccc2C(C)(C)C)c1 222797859 YGAZVLACZNZLNS-UHFFFAOYSA-N 369.461 4.487 0 40 FIAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 224089990 JMIOKQIEVFALOP-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB Cc1ccc(C(=O)NC2CCCCCCC2)c(I)c1 225022561 WHHWIWNKNGGMTF-UHFFFAOYSA-N 371.262 4.442 0 40 FIAB O=C(COc1ccc(Cl)cc1)N1CCS/C1=C/c1cccs1 225234424 OCMAHFZUGNWDNN-MHWRWJLKSA-N 351.880 4.354 0 40 FIAB Cc1ccnc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225304417 ZPGDOHUJHFBUFE-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)OCCO2 225326401 FKVRSWUIHGUPBO-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB CN(Cc1nc(-c2ccccc2)no1)C(=S)Nc1ccc(Cl)cc1 225466090 BDSGRXUONDUOJF-UHFFFAOYSA-N 358.854 4.219 0 40 FIAB Cc1cc(C)cc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225818437 GFQXSPUSPDOLRX-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cn1cnc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc21 225892153 VDMNRBUUNSIPJP-UHFFFAOYSA-N 355.441 4.416 0 40 FIAB COc1ccc(NC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 524735143 YUYZRZBRSVZACG-KRWDZBQOSA-N 370.478 4.187 0 40 FIAB COc1ccccc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)C(C)C 585105703 DZRXECODOLLJPA-UHFFFAOYSA-N 365.473 4.413 0 40 FIAB O=C(NC[C@H](c1ccco1)c1cccs1)c1ccc(C(F)(F)F)nc1 585147664 BXRNCGMGSGYJGC-GFCCVEGCSA-N 366.364 4.317 0 40 FIAB NC1(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)CC2(CCC2)C1 659286788 QEQIOUGURCWVMI-UHFFFAOYSA-N 357.841 4.127 0 40 FIAB O=C(O)c1ccc(CN2CCC(CNC3=C(c4ccccc4)C3)CC2)cc1 1560406098 QVNWQTUNEUXUMC-UHFFFAOYSA-N 362.473 4.001 0 40 FIAB FC(F)(F)c1cccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 632775 RHQXEZWSRHVEBR-UHFFFAOYSA-N 360.364 4.462 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc(C)c1C 718913 ODTWNTQYWZVSTL-UHFFFAOYSA-N 367.854 4.456 0 40 FIAB C[C@@H]1C(=O)N(Cc2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 1381835 VGFCLKMLUAYMLY-MRXNPFEDSA-N 374.415 4.408 0 40 FIAB Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3OC[C@@H]2C(C)(C)C)cc1 1392429 XITWLUWLYLPZIK-LJQANCHMSA-N 359.491 4.306 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C 1429188 CDCKSIQFXNVQQE-UHFFFAOYSA-N 359.385 4.459 0 40 FIAB CCOC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 1448074 JPKSEKDDGLHWFL-UHFFFAOYSA-N 370.357 4.013 0 40 FIAB biogenic O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc(Cl)cc1 2407684 ZQLBFJSERBAZSU-MRXNPFEDSA-N 370.619 4.060 0 40 FIAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccccc1Cl 3219259 RBJHDEBDDUPNMD-UHFFFAOYSA-N 373.714 4.034 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3509990 IGPYUFVTVOXCFK-UHFFFAOYSA-N 374.440 4.218 0 40 FIAB C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCc2ccccc21 3544569 RVNVTVJLGXRFSH-LLVKDONJSA-N 364.228 4.128 0 40 FIAB C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902444 SORISAYAZBCIQH-YKRRISCLSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro CN(C)CCCN(C(=O)c1ccco1)c1nc2c(Cl)cccc2s1 4359788 ITIQCLVZRRNSPU-UHFFFAOYSA-N 363.870 4.141 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 4846775 HZTOBULOACVYDA-FOIQADDNSA-N 369.436 4.130 0 40 FIAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccccc2F)cc1 4854490 FSLNBGXADMTTQG-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB O[C@]1(C(F)(F)F)[C@H]2CCCCC2=NN1c1nc(-c2ccccc2)cs1 5274982 QIDGKKNCSDYWRY-LRDDRELGSA-N 367.396 4.427 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1cccc(C)c1 5360038 QPCLREORILQIOT-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB CC(=O)c1cccc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)c1 5379296 NZTSGJVWGCLOIH-UHFFFAOYSA-N 351.189 4.158 0 40 FIAB Fc1ccccc1CSc1ncnc2c1cnn2Cc1ccccc1 5500407 QUNSYTUCUGBODA-UHFFFAOYSA-N 350.422 4.306 0 40 FIAB O=C(CN1CCc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 5687599 XPAFKZWIFZCGFU-UHFFFAOYSA-N 354.759 4.360 0 40 FIAB CSc1nc2ccccc2n1CC(=O)Nc1ccccc1C(F)(F)F 6160597 WAFSXOVVIQIJBM-UHFFFAOYSA-N 365.380 4.416 0 40 FIAB COc1cccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1OC 6478757 LVBLXPKDUVXZSI-GZTJUZNOSA-N 369.442 4.249 0 40 FIAB Cc1ccc2oc(C(=O)N3CCC(Cc4ccccc4)CC3)cc(=O)c2c1 6811226 KRNFHHKBSJYAMR-UHFFFAOYSA-N 361.441 4.196 0 40 FIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1OC 7405052 ZCHQGBIGAJJNJU-INIZCTEOSA-N 355.478 4.322 0 40 FIAB CC(C)OC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 7989378 DZDKTEJWWZYLDF-UHFFFAOYSA-N 353.752 4.436 0 40 FIAB C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cccc2ccccc12 7990422 BCMYPPFQMZXQEA-INIZCTEOSA-N 361.445 4.229 0 40 FIAB O=C(COc1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8735762 PEJPHQLAELMFBZ-OAHLLOKOSA-N 352.459 4.081 0 40 FIAB Cc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1 8923111 KPXPGNRIRJEXDL-UHFFFAOYSA-N 370.449 4.090 0 40 FIAB COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)O)cc2)c1 9157929 ILPQIZFOSMVPOW-HXUWFJFHSA-N 374.396 4.165 0 40 FIAB Cc1cc(Br)c2oc(=O)c(-c3nc4ccccc4[nH]3)cc2c1 9187295 NKNDISQRANMDIX-UHFFFAOYSA-N 355.191 4.407 0 40 FIAB COc1cc(C=O)ccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl 9235629 LKTRVDKTHPHLBF-JTQLQIEISA-N 368.216 4.221 0 40 FIAB Cc1cccc(NC(=O)Nc2nc(C(=O)NCc3cccs3)cs2)c1 9318546 XBRWWIGAKHVCSH-UHFFFAOYSA-N 372.475 4.087 0 40 FIAB Fc1ccc(F)c(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)c1 9486256 HREWUAHOVBBUFR-UHFFFAOYSA-N 350.300 4.076 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1C 9741511 TWVDIEQRGXVUFK-OAHLLOKOSA-N 367.474 4.421 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 10451057 MDPDUTFIWNWBSR-UHFFFAOYSA-N 363.288 4.388 0 40 FIAB CN(C)C(=O)[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 10845752 VYYVNHMUQMOAIC-KRWDZBQOSA-N 356.422 4.402 0 40 FIAB CCCOc1cc(Nc2ccc(NC(=O)c3ccco3)cc2)nc(C)n1 12225617 IHWCGDLIYWZKJC-UHFFFAOYSA-N 352.394 4.163 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C)cc1 12482507 QYBYGHCBRCHYAV-UHFFFAOYSA-N 365.260 4.403 0 40 FIAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccc(O)c(Cl)c1 12755480 ZUERXHRMMNTLTQ-UHFFFAOYSA-N 365.886 4.130 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)c1cc2ccccc2[nH]1 12786521 JZVBIEKUDOEZLO-UHFFFAOYSA-N 373.250 4.211 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 12794725 JBZTUYANXJVYHT-CQSZACIVSA-N 373.522 4.009 0 40 FIAB CCn1ncc2c(C(=O)Nc3ncc(C)s3)cc(-c3ccccc3)nc21 12817217 QKQHLXVZRXOSSM-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB Cc1ccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 12897067 CIEHJRWTACCOIR-UHFFFAOYSA-N 352.463 4.253 0 40 FIAB Cc1cccc(CNC(=O)CSCc2ccccc2Br)c1 13647762 FMRQIOGFICZGMT-UHFFFAOYSA-N 364.308 4.307 0 40 FIAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(F)c3)n2)cc1 14857314 HISXGGSLGIXZGQ-UHFFFAOYSA-N 353.397 4.318 0 40 FIAB COc1ccc(Br)cc1/C=C/C(=O)N[C@H](C)Cc1ccccc1 16849172 IAADOGJIBNEPJP-BMGYJQCNSA-N 374.278 4.218 0 40 FIAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)CC1CCN(C(=O)C(C)C)CC1 19748281 GZEXCIINUPTWGK-IBGZPJMESA-N 362.489 4.020 0 40 FIAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 20151658 BLOKSFMFMIOCHH-UHFFFAOYSA-N 370.474 4.118 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccc(F)cc2)o1 22393123 POYULZSJKGGVHX-UHFFFAOYSA-N 366.392 4.175 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 22535033 FBMWWOHDULDOEM-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CSc1ncc2ccccn12 24851120 UMTKFZADQUSDFX-UHFFFAOYSA-N 361.854 4.036 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1C(F)(F)F 25917750 QNTNANQMBKFLTA-CYBMUJFWSA-N 374.366 4.119 0 40 FIAB COc1ccc(N2C=C(C)C(C)=NN(c3ccccc3)C2=O)c(OC)c1 28526915 BSVGLBZLULRKIW-UHFFFAOYSA-N 351.406 4.430 0 40 FIAB COc1ccc2ccccc2c1CNC(=O)Cc1c(F)cccc1Cl 29301744 RLHUHQYEVAANBL-UHFFFAOYSA-N 357.812 4.500 0 40 FIAB CC(C)Cc1nc(CSc2nnc(-c3c[nH]c4ccccc34)o2)no1 30790383 VVMRUKYISJFWLG-UHFFFAOYSA-N 355.423 4.092 0 40 FIAB CC(C)CC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@](O)(C(F)(F)F)C1 32100732 YDLANOVWBGXLQE-SFHVURJKSA-N 370.415 4.483 0 40 FIAB O=C(Nc1ccccc1C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 32722170 WXQIXYWTZHABKG-FQEVSTJZSA-N 372.424 4.193 0 40 FIAB O=C(Nc1ccc(N2C(=O)CC3(CCCCCC3)C2=O)cc1)c1ccco1 32933415 KILXSTDTZHWRQC-UHFFFAOYSA-N 366.417 4.136 0 40 FIAB O=c1c2ccccc2nc(SCc2ccncc2)n1-c1ccc(F)cc1 35311138 BYHSVRBNLDZHOJ-UHFFFAOYSA-N 363.417 4.212 0 40 FIAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 35314243 GUPSCVMIMKLGFE-IHWFROFDSA-N 353.441 4.143 0 40 FIAB O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 39748753 HJIHQOHBVISWMU-UHFFFAOYSA-N 354.881 4.141 0 40 FIAB CCCn1c(C)c(C(=O)Nc2ccc(OC)nc2)c2cc(OC)ccc21 40017197 MJAUINACOHIYCT-UHFFFAOYSA-N 353.422 4.024 0 40 FIAB COc1cc(C)c(NC(=O)c2cc(Cl)cc3cccnc23)cc1OC 40156661 BSOQPRDQMMALRW-UHFFFAOYSA-N 356.809 4.466 0 40 FIAB O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CCc1cccs1 40387798 ZXBMZDMZNNRQLW-UHFFFAOYSA-N 372.453 4.015 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1C 44883700 GCKSDZLJWYZGSM-INIZCTEOSA-N 355.434 4.113 0 40 FIAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 54748058 VNEQFRUUMQUHJH-CGTJXYLNSA-N 363.436 4.212 0 40 FIAB CC(=O)N(C)c1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 65921226 ISYWMLAOUZMJNM-UHFFFAOYSA-N 369.808 4.230 0 40 FIAB CCOc1ccccc1N1CCN(CC(=O)c2cc(C)c(C)cc2C)CC1 67206432 DNBRNKMTNROIQX-UHFFFAOYSA-N 366.505 4.015 0 40 FIAB Clc1cc(COc2cccc(Oc3ncccn3)c2)cc2c1OCCO2 72073316 NSJMIJFITSPODU-UHFFFAOYSA-N 370.792 4.273 0 40 FIAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)N(C)C2CCCCC2)C1 72084136 UNZDIVFKZQTDKJ-INIZCTEOSA-N 363.933 4.449 0 40 FIAB Cc1ccccc1CN1CCC(c2ccc(Nc3cnccn3)cn2)CC1 72374212 YISAEZCKWDGURJ-UHFFFAOYSA-N 359.477 4.303 0 40 FIAB CCC(=O)Cn1c(SCCOc2ccccc2OC)nc2ccccc21 76555483 UDHRTNCFJWMESY-UHFFFAOYSA-N 370.474 4.195 0 40 FIAB O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@@H]1Cc1ccccc1 76561008 ZHRXAOQZSZADNN-LJQANCHMSA-N 359.429 4.116 0 40 FIAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)CCc1cccc(Cl)c1Cl 84637126 LGGWVMZCZCFPEZ-FZMZJTMJSA-N 356.249 4.147 0 40 FIAB C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccccc1N(C)C1CCCC1 84640479 HRFLNDPEPXHVQC-ZDUSSCGKSA-N 373.419 4.154 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NCC[C@@H](O)c1ccccc1 85436454 XDCKRVXMWDRHQL-HSZRJFAPSA-N 359.469 4.449 0 40 FIAB O=C(N[C@@H]1CCCC[C@H]1OC1CCCC1)c1cnn(-c2ccccc2F)c1 89821314 MWZCSMURFARLHU-UYAOXDASSA-N 371.456 4.012 0 40 FIAB Cn1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)c(C(F)(F)F)c1 96007109 KHGGKCIEDBWGFS-UHFFFAOYSA-N 360.339 4.435 0 40 FIAB C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1I 96171898 XSCKVKYKGCDKNL-SECBINFHSA-N 370.161 4.285 0 40 FIAB Cn1cc([C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)c2ccccc21 100883062 XUPCBVCKGKWKPI-SFHVURJKSA-N 354.409 4.379 0 40 FIAB C[C@@H](NC(=O)NCc1nc(-c2ccccc2Cl)no1)[C@H]1C[C@H]2CC[C@H]1C2 104255029 KBULHZYEUFTCIW-UKTARXLSSA-N 374.872 4.014 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)cc1Cl 216425821 QSXHLHYWOZDOAV-UHFFFAOYSA-N 361.825 4.097 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(OC)c1 218974062 GDXRRPKONZDDKS-MAUKXSAKSA-N 357.450 4.047 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 219039148 ZSNBKSZWODCJGM-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB CCSc1ccccc1C(=O)NCCCN1CCCc2ccccc21 219652678 JHORVMTZLJBMCS-UHFFFAOYSA-N 354.519 4.371 0 40 FIAB COC(=O)c1c(NC(=O)Cc2cccc(Cl)c2)sc2c1CCCC2 224306816 YAAACAPNCVODPM-UHFFFAOYSA-N 363.866 4.248 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224534998 KGMATIBSKLJLHL-JOCHJYFZSA-N 366.505 4.146 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1CSc1ccc(C)cc1 224668611 ADWWJIDATIIVTO-INIZCTEOSA-N 373.518 4.451 0 40 FIAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 225144951 NWCAHYQDEQPWSY-OAHLLOKOSA-N 361.507 4.421 0 40 FIAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)nc1 225304323 KTJQMGHCFBCEOQ-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)cc1 225745936 XBMAJVNPRVLPGS-HXUWFJFHSA-N 351.487 4.416 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1OCC(C)C 225816968 MQVANAPYLVKQQY-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 225871677 PKUKIXHVZJBPGN-UHFFFAOYSA-N 373.547 4.206 0 40 FIAB O=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 408554631 SJENTAUTRDOEDH-UHFFFAOYSA-N 358.608 4.477 0 40 FIAB CCCCC1=NN(C(=O)c2ccc(C)c(Cl)c2)[C@@](O)(C(F)(F)F)C1 409096559 LKVBUNCMKKSBKY-HNNXBMFYSA-N 362.779 4.291 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1c(F)cccc1Cl 409378705 QOVLUJIMRCBYFU-CQSZACIVSA-N 352.818 4.247 0 40 FIAB COc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)c1cc(C)ccn1 585081884 UUYZXUZGVLIRTA-INIZCTEOSA-N 355.482 4.187 0 40 FIAB CCC[C@]1(CO)CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)C1 585085141 KZHFQRNOVPAIHX-QFIPXVFZSA-N 371.452 4.029 0 40 FIAB COc1ccc(Nc2nc(C(=O)N[C@@H](C)c3cnccc3C)cs2)cc1 678415350 BECZNWZCEPFYCW-ZDUSSCGKSA-N 368.462 4.090 0 40 FIAB FC(F)(F)c1ccc(N2CCC(COc3ccncc3Cl)CC2)nc1 1889116264 IUXZKCFTHQLJKL-UHFFFAOYSA-N 371.790 4.444 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(OCC)c2)sc2c1CCCC2 828038 NXICZQUMQZJCLS-UHFFFAOYSA-N 373.474 4.455 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(N)=O)C1 921000 FUYYEJNJUCQIEJ-NSHDSACASA-N 374.481 4.389 0 40 FIAB O=C(Cc1ccccc1)NC1(C(=O)Nc2cccc(Cl)c2)CCCCC1 1088371 YEDKUQLMHLUQPL-UHFFFAOYSA-N 370.880 4.340 0 40 FIAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cccc2cccnc12 1096589 IWYLZEIYUSDDKZ-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB O=C(NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 1406109 NBYZRUOAEQCDPU-UHFFFAOYSA-N 358.772 4.486 0 40 FIAB C[n+]1cccc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2Cl)c1 2208450 QARZSYZJDVOGIV-QGZVFWFLSA-N 350.269 4.185 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4ccc(O)cc4)nn12)CC[C@@H](C)C3 2331625 KJSHFQVKLLKLCT-SNVBAGLBSA-N 350.447 4.145 0 40 FIAB CC1CCN(Cc2nnc3c4ccccc4c(-c4ccccc4)nn23)CC1 2353962 ZZDLDLAIKGVYCL-UHFFFAOYSA-N 357.461 4.176 0 40 FIAB CCOc1ccc(-n2c(S[C@@H](C)CC)nc3c(c2=O)SCC3)cc1 2719908 YSQZSYHLAMQOFG-LBPRGKRZSA-N 362.520 4.170 0 40 FIAB Cc1ccccc1Cn1c(CNC(=O)Cc2ccccc2)nc2ccccc21 2721261 ORUGCIMIHMIEPJ-UHFFFAOYSA-N 369.468 4.252 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(Br)c1 3289711 ONFOJKOBPBRPJK-UHFFFAOYSA-N 363.207 4.017 0 40 FIAB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCc2ccccc21 3350927 LBLYJJLCEZTEJC-QGZVFWFLSA-N 371.436 4.274 0 40 FIAB CSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 4079473 XDUJKENDGKTKJC-UHFFFAOYSA-N 366.855 4.129 0 40 FIAB CCOC(=O)[C@H](Cc1ccccc1)c1ccnn1-c1ccc(F)cc1F 4091972 FOWFWBOSQRRNHK-MRXNPFEDSA-N 356.372 4.040 0 40 FIAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccc(OC(=O)N(C)C)cc12 4340763 OCLJHLWUSCFSBD-UHFFFAOYSA-N 357.793 4.482 0 40 FIAB biogenic O=C1CC2(CCN(C(=O)c3cccc4ccccc34)CC2)Oc2ccccc21 4505569 NDBZOVONWVFTQI-UHFFFAOYSA-N 371.436 4.480 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 5312554 ZCNRWWQAQLCULY-UHFFFAOYSA-N 351.475 4.348 0 40 FIAB CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 5851182 QTGWVGSAURUEHG-UHFFFAOYSA-N 369.442 4.207 0 40 FIAB O=C(c1nccnc1-c1nc2ccccc2s1)N1CCCc2ccccc21 6754967 RTQIJJOMVKARIA-UHFFFAOYSA-N 372.453 4.346 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 7360867 SBBQTNKKULTWKN-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@@H]2c1ccccc1 7495783 MRXXDKIGFZIWBC-FQEVSTJZSA-N 373.460 4.116 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 7649292 QFPPXHPHWSMEJN-UHFFFAOYSA-N 366.461 4.354 0 40 FIAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)cc1 8086055 JYYLLPSDRXOHTP-UHFFFAOYSA-N 368.502 4.038 0 40 FIAB COc1ccc(CN(C(=O)CCc2nc3ccccc3s2)C2CC2)cc1 8164124 BHXHDNORUHYODB-UHFFFAOYSA-N 366.486 4.429 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)c(F)c3)n2)cc1 8483925 ZNLMFWULBJZMMR-UHFFFAOYSA-N 374.416 4.043 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2cccc(Oc3ccccc3)c2)c1 8770359 UAYHYPMPYGDVQD-UHFFFAOYSA-N 360.413 4.481 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 8917000 JACPRNPYUNTZAG-UHFFFAOYSA-N 373.796 4.050 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1cc2c(nc3sccn32)s1 9367345 XLTNUZBZOUJKEJ-UHFFFAOYSA-N 356.457 4.473 0 40 FIAB CCOc1cc(CNCCCn2ccnc2)ccc1OCc1ccccc1 10314010 YXZACMVFPBVIEK-UHFFFAOYSA-N 365.477 4.041 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(-c3cccc(F)c3)nn12 12390073 KUNUKXJQNQYTFB-UHFFFAOYSA-N 360.801 4.321 0 40 FIAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H]1c1nc2ccccc2s1 12591500 PDTMXPXEEBSZSS-QGZVFWFLSA-N 362.454 4.436 0 40 FIAB O=C1CN(C(=O)c2ccc(CSc3ccccc3)o2)c2ccccc2N1 13008597 CWZVMAYKMZKHSE-UHFFFAOYSA-N 364.426 4.171 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1C 15480368 SBMMXDIQHMJYDW-UHFFFAOYSA-N 361.445 4.245 0 40 FIAB O=C(NC1CCCCCCCCCCC1)c1cccc(-n2cnnc2)n1 15867171 FJQVWGPJVKWWMU-UHFFFAOYSA-N 355.486 4.065 0 40 FIAB Cc1noc(C)c1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1Cl 16090641 HZNMXCHJNDGDGS-UHFFFAOYSA-N 363.822 4.380 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CN2CCCC2)cc1 17074049 IHYORXYSSTVOEW-UHFFFAOYSA-N 358.869 4.262 0 40 FIAB Cc1cccc(C2(O)CCN(Cc3[nH]c4ccc(F)cc4c3C)CC2)c1 19234507 HLHXPQMOHIWQGV-UHFFFAOYSA-N 352.453 4.407 0 40 FIAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccccn3)c2)cc1 19691325 AVTLIELDSYUNRE-JOCHJYFZSA-N 373.456 4.438 0 40 FIAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20143337 USGLIHLKSGGPQL-UHFFFAOYSA-N 363.797 4.088 0 40 FIAB CN(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 21034218 QHWTURHEIGLLBF-UHFFFAOYSA-N 364.681 4.468 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1ccc(CN2CCCCC2)cc1 21637704 LSDLDFDLRUUELE-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB COc1ccc(C)cc1CN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 21938689 BQWMRMCMSWJQEB-UHFFFAOYSA-N 361.869 4.473 0 40 FIAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)C12CC3CC(CC(C3)C1)C2 22174462 NCWDKJGCGBLCMQ-VALILCMLSA-N 363.552 4.379 0 40 FIAB O=C(Nc1ccccc1N1CCCCCC1)c1cncc(Br)c1 22829021 MQXMBNAUJKQYKT-UHFFFAOYSA-N 374.282 4.477 0 40 FIAB Cc1ccccc1C(=O)Nc1ccccc1NS(=O)(=O)c1cccs1 23172663 BIDWALINCRETHZ-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(C)nc3)cc2)cc1 23460793 ZYEGTLVPOXFOSB-UHFFFAOYSA-N 360.413 4.194 0 40 FIAB CN1CCc2nc3ccccc3c(C(=O)Nc3cccc4cccnc34)c2C1 23956696 WENRLRBTXCIDSV-UHFFFAOYSA-N 368.440 4.023 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 24989605 QMMLGSKCWJTUHD-RNCFNFMXSA-N 356.369 4.227 0 40 FIAB Cc1ccc(CN(C)C(=O)Cc2csc(Cc3ccccc3)n2)cc1 31602306 CUHSNJQFQKBURL-UHFFFAOYSA-N 350.487 4.243 0 40 FIAB O=C1C[C@@H](C(=O)N[C@@H](c2cccs2)C2CCCC2)c2ccccc2N1 31803835 GCNAFNIASKYLCI-DNVCBOLYSA-N 354.475 4.222 0 40 FIAB Cc1cc(NCc2c(F)c(F)c(F)c(F)c2F)ccc1N1CCCC1=O 32770369 TZESOKOMPDSCLW-UHFFFAOYSA-N 370.321 4.429 0 40 FIAB O=C1NCCCC[C@H]1Sc1ncnc2sc(-c3ccccc3)cc12 32871688 FJEZQBLIQKSLAC-CQSZACIVSA-N 355.488 4.119 0 40 FIAB CN(Cc1ccccc1)C(=O)/C=C/C(=O)Nc1ccccc1C(C)(C)C 32958552 BGBHOQICIQIFIQ-CCEZHUSRSA-N 350.462 4.137 0 40 FIAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccccc3F)[nH]c12 33063745 WOGKNABBOSEZHB-UHFFFAOYSA-N 370.449 4.156 0 40 FIAB O=C(Nc1c2c(nn1-c1nc3ccccc3s1)CCC2)c1cccs1 35596702 TUOOEFIVWMALOU-UHFFFAOYSA-N 366.471 4.285 0 40 FIAB C[C@@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)Oc2ccccc2N=C1O 36355093 WAFDVFAGCOAPFD-QGZVFWFLSA-N 373.821 4.328 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCc2sccc2[C@@H]1C 40040583 ZFJSIIUCYQMICS-ZDUSSCGKSA-N 352.459 4.400 0 40 FIAB O=C(c1cc(Cl)ccc1Cl)N1CCCN(Cc2cccs2)CC1 40089158 ZDWYCPOEIABRDL-UHFFFAOYSA-N 369.317 4.403 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 40145718 NQECBXJDTPVCAB-QZTJIDSGSA-N 370.518 4.139 0 40 FIAB Cc1csc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCC2)n1 42038186 UPGKMONJBXPHDI-UHFFFAOYSA-N 371.531 4.481 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCC1(c2ccccc2C)CCOCC1 56364430 CPFSLIGAVBPGNL-UHFFFAOYSA-N 373.880 4.135 0 40 FIAB C[C@H]1C[C@H]1c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889980 MMBKENZBPSCQRV-SMDDNHRTSA-N 363.255 4.052 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1c(C)cc(-n2cnnc2)cc1C 72228902 GGCJYIFDDXWXJA-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB c1ccc(Nc2nccc([C@@H]3CCCN(CC4CCCCC4)C3)n2)nc1 72377840 KJQGOSXPQPZCCE-GOSISDBHSA-N 351.498 4.375 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1cc(C)ccc1C 78579635 WPANKZHJLKDKAR-UHFFFAOYSA-N 355.463 4.006 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)N1CCC(CSCc2ccco2)CC1 85472416 SOIPDELCXQCXAL-INIZCTEOSA-N 359.491 4.219 0 40 FIAB NC(=O)c1ccc(CN2CCc3ccccc3[C@@H]2Cc2ccccc2)cc1 89830420 JLPGWFBTJOAWQD-QHCPKHFHSA-N 356.469 4.128 0 40 FIAB Cc1nc(-c2cccs2)sc1CNC(=O)c1cc(-c2ccco2)n[nH]1 90592713 JKFCHLGVFMPFLW-UHFFFAOYSA-N 370.459 4.093 0 40 FIAB O=S(=O)(Nc1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 91695205 SZXGUBWRAROJRG-UHFFFAOYSA-N 371.167 4.208 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)c(Cl)c2F)c1 95986360 SPXKECRMAZHRKW-UHFFFAOYSA-N 360.143 4.311 0 40 FIAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96052698 BLALQFAOCQNNKP-KRWDZBQOSA-N 368.546 4.248 0 40 FIAB Fc1ccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3nnnc3N2)cc1 101122587 LHSXFFOKWMVMBB-AWEZNQCLSA-N 362.195 4.175 0 40 FIAB O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)c(F)c1 104346327 VKKUHVLGNNAVNF-CQSZACIVSA-N 353.777 4.042 0 40 FIAB O=C(NCc1cccs1)Nc1ccccc1-c1cn2ccsc2n1 206908679 WVUBZIVGZFICIY-UHFFFAOYSA-N 354.460 4.446 0 40 FIAB CC(C)c1ccc(CCCNC(=O)CCc2ccc3c(c2)OCO3)cc1 222656469 VBRWVKBIBGKXMS-UHFFFAOYSA-N 353.462 4.220 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222735223 SATYYRXPCKGWBG-WMZOPIPTSA-N 369.461 4.109 0 40 FIAB COc1cc(C)c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1C(C)C 222743947 LCALQCAVKKJSLT-HNNXBMFYSA-N 369.461 4.389 0 40 FIAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(F)c(Cl)c4)cn1c23 223095682 KCPYDPBIKYEVAW-JTQLQIEISA-N 356.784 4.163 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 224132571 BEECDEOMWKEPTN-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB CCc1nc2ccc(NC(=S)NCc3ccccc3OC)cc2s1 225207709 HDXJUZCFLJYRIY-UHFFFAOYSA-N 357.504 4.354 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2)c1 225289712 DSEKVAMOTSNWRA-UHFFFAOYSA-N 374.531 4.001 0 40 FIAB O=C1CCCN1c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225462293 COSNLWJESSCEAX-LJQANCHMSA-N 365.502 4.177 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1 225536394 HFGXVELBNLJVHI-HNNXBMFYSA-N 356.491 4.446 0 40 FIAB COc1ccc(Cc2cnc([C@H]3CCCN3Cc3scnc3C)o2)cc1 257242025 IASNJNSJVBNJON-GOSISDBHSA-N 369.490 4.376 0 40 FIAB Cc1c[nH]nc1[C@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257328432 XFPMORLUVMBCCP-GOSISDBHSA-N 365.433 4.404 0 40 FIAB Cc1ccc(C2=N/C(=C\c3ccc(C(=O)OCC(C)C)cc3)C(=O)O2)cc1 408730807 ISXKGGRIOYVFMM-UNOMPAQXSA-N 363.413 4.152 0 40 FIAB Nc1c(C(=O)c2ccccc2)sc2c1[C@H](c1cccs1)CC(=O)N2 409134911 OTNGLADBQXXISP-NSHDSACASA-N 354.456 4.097 0 40 FIAB CCO[C@H](C)c1nc(Cc2nc(-c3cccnc3OC(C)C)no2)cs1 508677948 IISCKXWAUDBUAL-GFCCVEGCSA-N 374.466 4.064 0 40 FIAB Cc1oncc1CN1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 1888901155 CPDQZOBWWXVZOA-ZDUSSCGKSA-N 358.442 4.020 0 40 FIAB Cc1nc(C)c(-c2nnc(S[C@H](C)c3nc(C(C)C)no3)o2)s1 37170387 MFLKCWKGGVHUDJ-MRVPVSSYSA-N 351.457 4.170 0 40 FIAB CN(C)[C@@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1Cl 32755175 DNNZLQUKLXGWOE-XLIONFOSSA-N 356.897 4.179 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CCC2 1930512 VRZIFEQLDNBIJC-DHZHZOJOSA-N 359.422 4.205 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCCc1nnc(-c3ccccc3)o1)C2 102394181 QICIGKVDXYRERX-JKSBSHDWSA-N 367.493 4.390 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c(C)c1 4898426 MFKPEPTVDSQOPI-KRWDZBQOSA-N 366.461 4.082 0 40 FIAB O=C(/C=C/c1cccc(F)c1)OCC(=O)c1ccc(Br)s1 6642912 OSLKYNRRCQNXNJ-QPJJXVBHSA-N 369.211 4.089 0 40 FIAB O=C(COC(=O)CSc1ccccc1)Nc1cc(Cl)cc(Cl)c1 6919353 DQJXPJZKJDMCNS-UHFFFAOYSA-N 370.257 4.267 0 40 FIAB COc1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc(OC)c1 7056347 FMCDJPUGUQMCIX-UHFFFAOYSA-N 363.479 4.047 0 40 FIAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Br)cc1 7242308 XGCFGNKSCKDRKH-GFCCVEGCSA-N 359.267 4.377 0 40 FIAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1 7440420 LZFHHZOQMYJQFD-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCCOc1ccccc1NC(=O)COc1cccc(NC(=O)OCC)c1 22134560 UASBMHHFPHHXSI-UHFFFAOYSA-N 372.421 4.061 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 10009790 XWCZUELSXQYRKA-UHFFFAOYSA-N 372.468 4.415 0 40 FIAB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1OC(C)C 662724 XBOFBPVQJZHITO-GZTJUZNOSA-N 351.402 4.135 0 40 FIAB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccccc1 8902643 HDSOHSFJWZLRKT-UHFFFAOYSA-N 363.398 4.394 0 40 FIAB Cc1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)cc1C 725255 PPSOQAGZJPVWFD-LJQANCHMSA-N 354.450 4.193 0 40 FIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NCCc3ccco3)c(C)c12 25176240 RKJVTFHRMIIVCT-UHFFFAOYSA-N 357.479 4.171 0 40 FIAB CC(C)C(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 12323535 VOIWDTJAMZZZOW-HXUWFJFHSA-N 362.408 4.103 0 40 FIAB Clc1ccc(COc2cccc(CN[C@@H]3CN4CCC3CC4)c2)cc1 20477046 UVFIQQYYYZCSKJ-OAQYLSRUSA-N 356.897 4.103 0 40 FIAB CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2ccccc2c1 992796 BPZSBANHJMGFOY-UHFFFAOYSA-N 361.397 4.228 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1ccccn1)CC2 24527616 JBGPJNHPPRRPEJ-HSZRJFAPSA-N 360.457 4.247 0 40 FIAB CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1OC 106956723 GYOIHBMKEBKESZ-UHFFFAOYSA-N 366.255 4.477 0 40 FIAB O=c1[nH]c2ccccc2n1CCCSCc1cc(-c2ccccc2)on1 25054130 BRNDGMJOCFCVLO-UHFFFAOYSA-N 365.458 4.308 0 40 FIAB CCOC(=O)C(C)(C(=O)OCC)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 22057298 VCWSZWDBRMAJJJ-UHFFFAOYSA-N 373.836 4.358 0 40 FIAB COc1ccc([C@@H]2N(c3cccc(Cl)c3C)C(=O)C2(F)F)cc1OC 3242621 BEVIMFXHUFRLSR-INIZCTEOSA-N 367.779 4.389 0 40 FIAB CN(C[C@H]1CCCN1C(=O)c1cccc(Br)c1)c1ccccc1 58157277 OUIMRKUUIYRPTI-GOSISDBHSA-N 373.294 4.190 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)NC[C@H](C2CCCCC2)N(C)C)c1 58145984 CGCDRFHPITYJQX-LJQANCHMSA-N 374.529 4.057 0 40 FIAB Cc1ccc(Nc2nnc(S[C@H](C(N)=O)c3ccccc3)s2)c(C)c1 10342054 SVBYAHNBTWRUDN-HNNXBMFYSA-N 370.503 4.217 0 40 FIAB Clc1ccc(OCc2nnc3sc(-c4ccco4)nn23)c(Cl)c1 10312255 GFVZZZZROLKDRK-UHFFFAOYSA-N 367.217 4.332 0 40 FIAB O=S(=O)(NCc1cc2ccccc2[nH]1)c1ccccc1-c1ccccc1 58358143 DVRUTAGXTBMCPU-UHFFFAOYSA-N 362.454 4.313 0 40 FIAB c1ccc(CCSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 23043273 TULIGNOQYDIDBW-UHFFFAOYSA-N 362.458 4.316 0 40 FIAB CCCOc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OC 2307642 LZJWFHLWUBTLRG-YBEGLDIGSA-N 371.820 4.482 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccccc1F)C3 2372845 WQHIZERUMSSZHZ-UHFFFAOYSA-N 351.377 4.167 0 40 FIAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(C(=O)NC2CC2)cc1 12780280 XRDXSOXHMVFJGV-UHFFFAOYSA-N 366.461 4.028 0 40 FIAB COc1cccc(CNC(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c1 59055159 XFVILAJRUAEVHI-UHFFFAOYSA-N 367.380 4.343 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccncc2)nc2ccccc12 36689431 BFOVGHPWYOKVJV-UHFFFAOYSA-N 373.441 4.278 0 40 FIAB Fc1ccc(OCc2noc(CN(Cc3ccco3)C3CCCC3)n2)cc1 48339833 AGBBPBMMHQEKAQ-UHFFFAOYSA-N 371.412 4.326 0 40 FIAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 2503546 FPSRQVWNFJYAHE-GUYCJALGSA-N 372.490 4.022 0 40 FIAB Cc1c([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 29327959 GKDSPSSYZGSAOP-LSDHHAIUSA-N 366.440 4.441 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NCC1(N2CCCCC2)CCCCC1 3459408 WABYTLIJPKVHHG-UHFFFAOYSA-N 367.537 4.406 0 40 FIAB Cc1nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 13098659 NFVXODUGLSGRKF-UHFFFAOYSA-N 372.393 4.424 0 40 FIAB COc1cc(NC(=O)/C=C/c2ccc(Cl)s2)cc(OC)c1OC 8708651 WIKUMZXGFHUCNA-FNORWQNLSA-N 353.827 4.079 0 40 FIAB COCCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 409107352 RCCGMWSQTMBLTH-UHFFFAOYSA-N 373.909 4.461 0 40 FIAB COC(=O)c1[nH]c2ccccc2c1NC(=O)C1(c2ccccc2)CCCC1 5047137 IQHZJYRIJWSXDA-UHFFFAOYSA-N 362.429 4.405 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)CC13CC4CC(CC(C4)C1)C3)CC2 5340923 AXNNXJZBGQBALI-UHFFFAOYSA-N 369.505 4.195 0 40 FIAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c(F)c1 6430087 HTHLWMSGOYNSRQ-UHFFFAOYSA-N 363.404 4.053 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccs3)n2)c1 9112120 YBSXZTDQMPVLNY-UHFFFAOYSA-N 357.460 4.011 0 40 FIAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(SC)s3)o2)cc1 15518748 PKMKVQDSTZUGEX-MRVPVSSYSA-N 366.493 4.172 0 40 FIAB COc1ccc(CSc2nnc(SCc3cc(C)on3)s2)cc1 7783926 GJSYACOCZRZSCG-UHFFFAOYSA-N 365.505 4.428 0 40 FIAB COC(=O)c1ccc(NCC(=O)Nc2ccccc2-c2ccccc2)cc1 7956079 CJGRLBYPHGROLJ-UHFFFAOYSA-N 360.413 4.191 0 40 FIAB C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1Br 9445955 JMYVUCPKMAKXBE-LLVKDONJSA-N 372.218 4.047 0 40 FIAB O=C(NCCc1ccccc1)c1ccccc1OCCOc1ccccc1 8158038 QRTHGRBEXPANTM-UHFFFAOYSA-N 361.441 4.117 0 40 FIAB Cc1ccc(NC(=O)CN[C@H](C)c2cccc(-n3ccnc3)c2)cc1Cl 97082218 PITJSIYFBMZVMN-OAHLLOKOSA-N 368.868 4.123 0 40 FIAB Nc1nc(Cl)cc(N[C@@H](COCc2ccccc2)c2ccccc2)n1 72293829 XCMNEXZEGCBMEW-INIZCTEOSA-N 354.841 4.082 0 40 FIAB Cc1onc(-c2ccncc2)c1C(=O)OCc1csc(-c2ccco2)n1 95971244 XMGJEZDQORQLCU-UHFFFAOYSA-N 367.386 4.119 0 40 FIAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)o1 9943465 VWPTXXIOWSNZLA-CQSZACIVSA-N 365.458 4.197 0 40 FIAB Cc1csc(-c2cccc(NC(=O)N[C@H](C)C(C)(C)CN(C)C)c2)n1 75110223 SLJPAXSOSKMZBI-CQSZACIVSA-N 360.527 4.216 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Nc2cccc(Br)c2)CC1 36878879 FZGSREXRJUNLIK-UHFFFAOYSA-N 355.276 4.261 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)N1[C@H](C)CCC[C@H]1C 26771339 FEWSZHBAVHJJEB-NXEZZACHSA-N 351.800 4.043 0 40 FIAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccco2)cc1 408680024 XWLVKAUNFZZEIU-UHFFFAOYSA-N 358.397 4.007 0 40 FIAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl 32911523 CNUBFSCFQZFZDW-INIZCTEOSA-N 363.288 4.388 0 40 FIAB Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1cccc(Cl)c1 32530634 PDEJDJALLAFQHO-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C=O)cn1 72215010 KAJWXCOLTMLXAG-KRWDZBQOSA-N 361.486 4.307 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(OC)cc1OC 49549040 PDTGSMCMLGZELJ-UHFFFAOYSA-N 371.462 4.156 0 40 FIAB COC(=O)c1cccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)c1 225330477 LYYFYQAIQVZRKD-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(CN2CCCC2)cc1 44872873 KIYSJUDWXDEWFR-NRFANRHFSA-N 366.505 4.065 0 40 FIAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223479590 GWGCPODAHBYIBX-OAQYLSRUSA-N 370.468 4.222 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(OC(C)C)cc2)cc1OC 44900946 BIXDDIPEWSKJBZ-UHFFFAOYSA-N 361.463 4.222 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc2c(c1)OCCO2 223688604 XHPYCKCWMFQZFE-UHFFFAOYSA-N 367.829 4.122 0 40 FIAB CCOc1ccc([C@@H](C)NC(=S)Nc2ncccc2C)cc1OCC 225752218 GODYJPXFBKIEOH-CQSZACIVSA-N 359.495 4.235 0 40 FIAB Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(F)cc4)c3N)n2)c1 48989309 GZFURFYAOLOZDT-UHFFFAOYSA-N 365.437 4.396 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc(-c2cc3ccccc3oc2=O)cc1 226285203 SXFOIDFHZFJIPD-UHFFFAOYSA-N 361.319 4.375 0 40 FIAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260718182 RSCGCGABEBDWRB-GDBMZVCRSA-N 369.538 4.069 0 40 FIAB Cc1cccc([C@H](CNc2nccc3sccc23)N2CCOCC2)c1 613460491 LXMQIGQYOJKZCB-SFHVURJKSA-N 353.491 4.090 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)NCCc2nc3c(s2)CCCC3)o1 677963772 KWUKVSLJDGTEGM-HNNXBMFYSA-N 359.495 4.013 0 40 FIAB O=C(Cc1ccc(Cl)cn1)NCc1ccc(Cl)c(C(F)(F)F)c1 1623613464 BWYGRRULVIELSS-UHFFFAOYSA-N 363.166 4.266 0 40 FIAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)Nc1cccnc1 1565524996 UYDZJRNKMLTXLZ-UHFFFAOYSA-N 363.461 4.017 0 40 FIAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3ccccc3F)CC2)cc1 5903395 IAYXQIPKKMWPNT-JLHYYAGUSA-N 366.480 4.485 0 40 FIAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(Br)c1 12868308 QPRLDAKSECMSPZ-SECBINFHSA-N 356.166 4.133 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c1 13938980 LTZARPFOTVEWRI-UHFFFAOYSA-N 351.471 4.371 0 40 FIAB CC(C)(C)C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 19082152 SRFVGNATAUYBCN-UHFFFAOYSA-N 362.945 4.388 0 40 FIAB CCOc1cc(C(=O)OC)ccc1OCc1ccc(Br)cc1 226328919 QYYJZFCLDKRZFW-UHFFFAOYSA-N 365.223 4.213 0 40 FIAB CCOc1cc(C=O)cc(Br)c1OCCOc1ccccc1 11947226 CWJQOZZYGHNOOE-UHFFFAOYSA-N 365.223 4.118 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)c1cc2ccccc2o1 5458723 ZBOTVOLVIDZTRI-UHFFFAOYSA-N 374.234 4.476 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NCc1ccnc(-c2cccs2)c1 238840008 HQHGUPACKJHRHI-UHFFFAOYSA-N 357.866 4.463 0 40 FIAB CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccco3)sc2c1 4359457 CRHXVKVKMLDPQD-UHFFFAOYSA-N 371.506 4.440 0 40 FIAB CCOc1ccc(-n2ccnc(SCc3ccccc3F)c2=O)cc1 4853198 VQLLFRVDUUCGQE-UHFFFAOYSA-N 356.422 4.063 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc2ncsc2c1)c1cc2ccccc2o1 575620020 HPPQKJJMEWALJL-INIZCTEOSA-N 365.458 4.075 0 40 FIAB Cc1oc(C)c(C(=O)NCc2ccccc2CN2CCC[C@@H](C)C2)c1C 40112283 CBYQNQLRMNDYLZ-OAHLLOKOSA-N 354.494 4.367 0 40 FIAB O=C(NCc1ccco1)Nc1cc(Br)ccc1Br 40104724 MIBSODOHVAMSNX-UHFFFAOYSA-N 374.032 4.126 0 40 FIAB Cc1cc(C)n2ncc(C(=O)N[C@@H](c3cccs3)C3CCCC3)c2n1 32397784 YXERHMGNFZADJL-QGZVFWFLSA-N 354.479 4.069 0 40 FIAB COc1cc(C(=O)O)cc(Br)c1OCc1cccc(C)c1 11887907 YARCGEOLUBXDAQ-UHFFFAOYSA-N 351.196 4.043 0 40 FIAB COc1ccc(NC(=O)CCCOc2ccc(C(C)=O)cc2)cc1Cl 2621155 JXAKOXDDDQHLCQ-UHFFFAOYSA-N 361.825 4.349 0 40 FIAB CCc1ccc(C)c(OC(=O)c2ccccc2I)c1 683031 ZYDVQSGFUBNWGD-UHFFFAOYSA-N 366.198 4.381 0 40 FIAB CCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 688762 HJHSHRYCHVAMHN-KRWDZBQOSA-N 366.446 4.162 0 40 FIAB Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)Nc2cccc(C)c2)c1 825361 SHWKPSRQAGMRCR-JWWGGVBKSA-N 360.457 4.319 0 40 FIAB CCCOc1c(Cl)cc(C(=O)NCc2nc(C)cs2)cc1OCC 21482155 IWNIGPGZWSLALI-UHFFFAOYSA-N 368.886 4.222 0 40 FIAB CCN(CC)CCNc1nc(-c2ccc(OC(F)F)cc2)c(C)s1 3455810 ZLSAPFOZEDHIOF-UHFFFAOYSA-N 355.454 4.474 0 40 FIAB CCc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 2705779 NSCKOMDBQCNIOS-UHFFFAOYSA-N 354.841 4.352 0 40 FIAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(F)cc1 6052456 CZZIBZFAUSMYDI-UHFFFAOYSA-N 365.360 4.414 0 40 FIAB S=C(NCc1ccccc1CN1CCCC1)Nc1ccc(Cl)cc1 7464121 SFYJFWMWFDNQQY-UHFFFAOYSA-N 359.926 4.422 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=S)N1c1ccccc1F 101183359 BAEOPDQVJBHQSO-IFXJQAMLSA-N 358.438 4.159 0 40 FIAB Cn1c(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 12558670 IIXARESIYOUZCY-HUUCEWRRSA-N 373.378 4.012 0 40 FIAB C[C@H](Sc1nnnn1C1CCCC1)c1nc2ccccc2n1C(F)F 12544443 JLMDHIBIDAMPKA-JTQLQIEISA-N 364.425 4.386 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 17823074 YUCOPMQAVBGJGP-GYVBGXKYSA-N 366.505 4.080 0 40 FIAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1-c1ccccc1 57363893 KOKODDUAMNGMHD-UHFFFAOYSA-N 371.484 4.114 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)cc1C 100423705 SNFOZKYWNCUNHB-RTBURBONSA-N 369.534 4.378 0 40 FIAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 57373689 ICEJDJNHDKLGPJ-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB O=C(Nc1ccc(-c2noc(O)n2)cc1)c1ccc(-c2ccccc2F)o1 58183368 KJRKHOVRNVEPDP-UHFFFAOYSA-N 365.320 4.094 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 27664142 GTJALOXKURQZTH-SECBINFHSA-N 350.802 4.495 0 40 FIAB C[C@@H](NC(=O)c1cncc(Br)c1)c1ccc(C(F)(F)F)cc1 29239815 HBMFQYJYZCGMMN-SECBINFHSA-N 373.172 4.354 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 11246885 MEGPJJSWAPUTJK-GOSISDBHSA-N 366.852 4.199 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)Cc1coc2cc(C)c(C)cc12 12803079 SNCSIHMSMMGHHD-UHFFFAOYSA-N 364.445 4.371 0 40 FIAB Cc1ccccc1-c1nnc(SCc2nnc(-c3cccs3)o2)n1C 8748421 BECCKBZKSHCULI-UHFFFAOYSA-N 369.475 4.194 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC)n1 8867343 BJKBQFGOOIIMBE-UHFFFAOYSA-N 358.250 4.156 0 40 FIAB Cc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1Cl 4119355 FRJPGXOEYGNBPX-UHFFFAOYSA-N 350.599 4.212 0 40 FIAB COc1ccc(-c2nnc3c4c5c(sc4ncn23)CC[C@H](C)C5)cc1 9418694 QTRASRAHNPFCNB-NSHDSACASA-N 350.447 4.139 0 40 FIAB COc1cc(C)ccc1OCC(=O)c1cc(C)n(-c2nccs2)c1C 14316635 PAIGBRJQKUQDES-UHFFFAOYSA-N 356.447 4.129 0 40 FIAB C[C@@H]1CCCc2sc3nc(NCCc4ccccc4)n4ncnc4c3c21 5576757 PJTXUCFVZMPRQH-CYBMUJFWSA-N 363.490 4.433 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2cc3c(cc2Br)OCCO3)c1 6649322 YYYIBRGNOUCGBB-UHFFFAOYSA-N 362.223 4.089 0 40 FIAB CC(C)CCNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 6650605 YSPDXBSLQVPYLA-IBGZPJMESA-N 372.896 4.364 0 40 FIAB CCCCOC[C@H](O)Cn1cnc(-c2ccccc2)c1-c1ccccc1 4705488 XPJMEGKYQSXSQJ-HXUWFJFHSA-N 350.462 4.395 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)c1cccc(C(F)(F)F)c1 23238117 AZEXCTMJHVXJCY-UHFFFAOYSA-N 369.408 4.245 0 40 FIAB CC(C)Sc1nnc(CN2c3ccccc3Sc3ccccc32)n1N 19897499 ASWUFOYASFWLOG-UHFFFAOYSA-N 369.519 4.295 0 40 FIAB Cc1cc(C)c(C(=O)N2CCC[C@H](c3n[nH]c(=S)n3C3CC3)C2)c(C)c1 90599595 FUJDCVHBHCVOTE-HNNXBMFYSA-N 370.522 4.221 0 40 FIAB Cc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 7700458 FEZKVJVIWPNUEZ-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB COc1ccc(-c2nc(-c3cc(C)n(-c4ncn[nH]4)c3C)cs2)cc1 7843901 JVJZZNYJMRQHAW-UHFFFAOYSA-N 351.435 4.011 0 40 FIAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1nc2ccccc2s1 69413777 VMINVBCYRSAVAK-UHFFFAOYSA-N 367.474 4.211 0 40 FIAB O=C([C@@H]1CC(c2ccccc2)=NO1)N(Cc1ccco1)c1cccc(F)c1 71843923 SXTJFHIQAURBNG-FQEVSTJZSA-N 364.376 4.145 0 40 FIAB CCOc1cc(C(=O)N[C@H]2CCc3ccccc32)cc(OCC)c1OCC 72331509 DPFSUQDEIOEGDX-SFHVURJKSA-N 369.461 4.300 0 40 FIAB C[C@H](NCCN(C)C)[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 22586829 OQLPSYJNZRYLOQ-XFAMDWPHSA-N 370.581 4.404 0 40 FIAB in-vitro CCCCC(=O)Nc1ccc(NC(=O)c2cccc(C)c2OC)cc1OC 408619309 BAWLSYACYXDWMN-UHFFFAOYSA-N 370.449 4.393 0 40 FIAB COc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1Br 4526415 LNZDONIGILETIB-GDNBJRDFSA-N 372.218 4.111 0 40 FIAB CC(C)C(NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)C(C)C 39752886 ZMNWKNPQKNODFJ-UHFFFAOYSA-N 350.934 4.349 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1ccccc1F 36620822 HYFAAPTVEUYSHJ-MRXNPFEDSA-N 357.809 4.144 0 40 FIAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12 4340206 WZUKLGMUZDXKQM-UHFFFAOYSA-N 357.793 4.482 0 40 FIAB biogenic COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38834224 SGAUYZKONJXAOH-INIZCTEOSA-N 358.869 4.199 0 40 FIAB CSc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39755237 RLRLCIXKCJZIMB-UHFFFAOYSA-N 358.482 4.398 0 40 FIAB CCn1ncc(CNc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1C 36613486 VZVUTJUHAHIOCF-UHFFFAOYSA-N 367.400 4.361 0 40 FIAB Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@@H]2CC(N)=O 217016302 GCWIQUVXWZWCLE-MRXNPFEDSA-N 365.820 4.071 0 40 FIAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 224128589 BDXPUBCJENMYLM-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)/C=C/c3ccccc3Cl)ccc21 225074668 XRAAFPPGTXXEOV-JXMROGBWSA-N 358.850 4.388 0 40 FIAB Cc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)nc1 225301091 BLVODCDSUCBTMN-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)cc1 41154109 UEWLDJVZKJJEPK-UHFFFAOYSA-N 363.204 4.365 0 40 FIAB CCOc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)c2ccccc12 225914491 LPCOMHUHDQOZDE-UHFFFAOYSA-N 357.450 4.212 0 40 FIAB Cc1ccccc1CSCCNC(=O)COc1cccc2c1CCCC2 225772269 OYZLKJSXSSNHMU-UHFFFAOYSA-N 369.530 4.302 0 40 FIAB COc1ccc(C2(NC(=S)Nc3cccc(OC)c3)CCCC2)cc1 225846687 QMYFBWNRVDOOFV-UHFFFAOYSA-N 356.491 4.460 0 40 FIAB O=C(NCC[C@H](O)c1cccs1)C1c2ccccc2Oc2ccccc21 77114255 NNTWNQJINILQPZ-INIZCTEOSA-N 365.454 4.226 0 40 FIAB COC(=O)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(C)cc1 40017260 QXKJXFWEYDPVHG-MRXNPFEDSA-N 365.351 4.048 0 40 FIAB O=C(O)c1ccc(-c2nc(CN3CCC(C(F)(F)F)CC3)cs2)cc1 573733098 CQOUTDKIELSEJC-UHFFFAOYSA-N 370.396 4.283 0 40 FIAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3cnc(C)cn3)cs2)nc1 257338692 YYODQMXWMUVCCS-KRWDZBQOSA-N 366.494 4.026 0 40 FIAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816846 RBROHHGBHQVTFE-UTKZUKDTSA-N 362.514 4.084 0 40 FIAB c1ccc(Cn2cc(CN3CC[C@@]4(CCOC4)C3)c(-c3ccccc3)n2)cc1 678294653 YETIKQFLPQUHDI-XMMPIXPASA-N 373.500 4.211 0 40 FIAB O=C(Nc1ccnn1-c1cccc(Cl)c1)c1c(F)cc(F)cc1F 1776002400 QNCSSHAUYRDYNV-UHFFFAOYSA-N 351.715 4.195 0 40 FIAB COC(=O)c1ccc(C(=O)N[C@@H](c2ccsc2)c2cccs2)cc1 390826128 CLKKVLVFCWRFJM-INIZCTEOSA-N 357.456 4.116 0 40 FIAB CCOc1ccccc1CNc1n[nH]c2nc(C)cc(C(F)(F)F)c12 12115909 XFDOYAGRVYHPQO-UHFFFAOYSA-N 350.344 4.296 0 40 FIAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Br)c(Cl)c1 226324459 NZLGFNYPWAIIOJ-UHFFFAOYSA-N 368.662 4.003 0 40 FIAB O=C(Nc1ccccc1O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11332362 ILVHBOQYIRWQRE-UHFFFAOYSA-N 357.369 4.362 0 40 FIAB CCOC(=O)Cc1csc(Sc2ncnc3c2oc2ccccc23)n1 26757550 OVKHQMIPTWZLFI-UHFFFAOYSA-N 371.443 4.089 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccoc1 32207483 XVKOXRVJQCXZAH-UHFFFAOYSA-N 357.841 4.067 0 40 FIAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1cccc2ccccc12 1095681 QYYSDQMSRKCKOB-UHFFFAOYSA-N 362.414 4.016 0 40 FIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CCN1CCCCC1 1096566 LOFUTDVMRAVHPS-UHFFFAOYSA-N 372.490 4.016 0 40 FIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(F)c(F)c1 4761079 GNPIVVFIHVAVQK-UHFFFAOYSA-N 358.344 4.442 0 40 FIAB COc1cccc(-c2cn3c(C(=O)Nc4ncccc4C)csc3n2)c1 11902282 KYWSFGDTDRBLQW-UHFFFAOYSA-N 364.430 4.027 0 40 FIAB O=C(NCc1nccnc1-c1cccs1)c1cc2cc(F)ccc2s1 575620506 NPTQDVNLSZXEQU-UHFFFAOYSA-N 369.446 4.489 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H]1CCSc2ccccc21 10449062 QNOBBWINKJNKEV-KRWDZBQOSA-N 366.490 4.288 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](c3ccccc3)C3CC3)c12 31041504 MYVWTSXUEOFHFZ-FQEVSTJZSA-N 360.461 4.035 0 40 FIAB Cc1cc(C)n(-c2c(-c3ccccc3)c(=O)n3c4c(cccc24)CCC3)n1 704411 LGFBKKRXTNAJLY-UHFFFAOYSA-N 355.441 4.417 0 40 FIAB Cc1cccc(-c2nnc3sc(-c4cc(F)c(F)c(F)c4F)nn23)c1 1018216 WIJCLSFIMZPYRC-UHFFFAOYSA-N 364.327 4.385 0 40 FIAB CC(C)N(C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)N(C(C)C)C(C)C)C(C)C 1763827 ISWPQRMZLUULCV-GUMHCPJTSA-N 364.574 4.330 0 40 FIAB CCCCCCc1cc(C(=O)Cc2cc(C(=O)OC)oc2C)c(O)cc1O 2105841 LJNROTDWTJRETB-UHFFFAOYSA-N 374.433 4.334 0 40 FIAB biogenic CCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)C1CCCCC1 2466934 TXYMNQAEHHBTLE-UHFFFAOYSA-N 369.490 4.012 0 40 FIAB CCOCCCNC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 2729859 QULPUZWYULYAJI-UHFFFAOYSA-N 365.857 4.285 0 40 FIAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1Cl 3489453 JCMQHNYDHMYIKF-SNVBAGLBSA-N 367.829 4.370 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 3621422 DKWZJGBYHMFLKR-CMDGGOBGSA-N 353.403 4.013 0 40 FIAB COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(C)=O 3633784 IKPIYDXVFGGMOT-QGZVFWFLSA-N 361.397 4.248 0 40 FIAB COc1ccccc1Nc1nc2nonc2nc1Nc1ccc(Cl)cc1 4045977 XKYJENNCGIHHGM-UHFFFAOYSA-N 368.784 4.162 0 40 FIAB O=C(O)c1ccccc1[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccccc21 4064714 NXUBORGAOWMMEE-XMMPIXPASA-N 368.436 4.304 0 40 FIAB biogenic COc1ccc(NC(=O)CCCc2nc(-c3cccc(C)c3)no2)cc1 4433722 XHZHNAAOUVZZOY-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)N(C(C)C)c2ccccc21 4554746 AOZNBJDHKXSOSI-QHCPKHFHSA-N 365.473 4.334 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2 4767873 PMFIPVCJOJVODX-ZDUSSCGKSA-N 373.474 4.210 0 40 FIAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 5401547 KXXHPKQPCJZRPE-GFCCVEGCSA-N 353.491 4.343 0 40 FIAB CCOC(=O)[C@@H](C)Oc1c(-c2ccco2)oc2cc(C)c(C)cc2c1=O 5580612 WITXRVJZLPIPLN-CYBMUJFWSA-N 356.374 4.000 0 40 FIAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc3c4c(cccc24)CC3)N1 5669348 JTOZFSYHVYFHID-IFMALSPDSA-N 368.436 4.108 0 40 FIAB O=C(CSc1nc(-c2ccccc2)cs1)N1CCc2ccccc2C1 5971972 NCHREMUQBPJBKS-UHFFFAOYSA-N 366.511 4.487 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2O1 6393411 SWLKDBKAVQCLLE-UHFFFAOYSA-N 365.351 4.436 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(I)cc1C(F)(F)F 6615028 XYGDBNSVXKFRPR-UHFFFAOYSA-N 371.140 4.295 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Nc2nc3ccc(C)cc3s2)n1 6810497 AHXTZMRSMGCUOL-UHFFFAOYSA-N 364.883 4.412 0 40 FIAB COc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1F 7074047 KFVUPNVLDAEUKT-AWEZNQCLSA-N 353.393 4.244 0 40 FIAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1F 7313166 YGYFUQIOAWQOCH-AWEZNQCLSA-N 370.449 4.464 0 40 FIAB CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1 8108259 FAAVPAWQCOWAEL-UHFFFAOYSA-N 354.269 4.121 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(OC)c3)ccc21 9137061 YUTUQOGFMDDSCF-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB Cc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(F)cc2)cc1 9358806 RRNDUFJVWFYRLS-LJQANCHMSA-N 367.449 4.403 0 40 FIAB CC1CCN(C(=O)[C@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)CC1 9483378 UQWFSFZDABZVON-LBPRGKRZSA-N 365.886 4.129 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N(C)c2ccc(N3CCCC3)cc2)c(C)c1 10113757 BQXUXSFWJQRJRG-UHFFFAOYSA-N 358.507 4.037 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(F)cc(F)c1 10668437 CHUGDXZTKDSFTH-UHFFFAOYSA-N 364.298 4.469 0 40 FIAB Cc1cc(OCC(=O)NCc2csc(-c3ccccc3)n2)ccc1Cl 10893795 YXDJVQBKEIOOPP-UHFFFAOYSA-N 372.877 4.467 0 40 FIAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1Cc1cccc2cccnc12 11366791 XJNRBVYVUIJIJW-UHFFFAOYSA-N 357.196 4.338 0 40 FIAB C[C@H](NC(=O)CCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 11563695 TVJGOTACGZHFEP-HIGJEIRPSA-N 351.494 4.217 0 40 FIAB CC[C@H](NC(=O)c1cc(-c2ccccc2OC)on1)c1ccc(F)cc1 12199866 RZOMDKJHBLBFLY-INIZCTEOSA-N 354.381 4.370 0 40 FIAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 12788028 DMNDUPZFTARMOY-SJCJKPOMSA-N 359.267 4.053 0 40 FIAB C[C@@H](NC(=O)CSc1nnc(C2CC2)o1)c1ccc2ccccc2c1 12792176 HGAQOABMHLQQDU-GFCCVEGCSA-N 353.447 4.070 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)Cc1cnn(-c2ccccc2)c1 12889500 FKAIZOZSRWTDTD-UHFFFAOYSA-N 363.461 4.360 0 40 FIAB COc1ccccc1OC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 14472104 XBBGJQMWMXPIMX-UHFFFAOYSA-N 350.798 4.364 0 40 FIAB O=C(NCCCC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccc(Cl)cc1 14598397 POOWFMLGEFDRIL-MAUKXSAKSA-N 362.901 4.031 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 15950085 NVWZPIYGGIMHLE-WEVVVXLNSA-N 358.844 4.150 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cc1 19211378 UQULSZHHRLODFS-LJQANCHMSA-N 366.486 4.112 0 40 FIAB CCCc1ncc(CN[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccc(OC)cc2)cn1 19525782 OAEHIPJFFLNJFH-NPDDRXJXSA-N 351.494 4.110 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c(C)c1 19911244 VNUFYDGCESUNDY-UHFFFAOYSA-N 372.375 4.046 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)CSc1ccc(Cl)cc1 20036474 CLUZPNNDLVUYLT-UHFFFAOYSA-N 371.893 4.243 0 40 FIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 22417962 CTZDCKUSWLJBDC-UHFFFAOYSA-N 367.411 4.460 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Sc2ccccn2)ccc1Br 23190043 JNVOJNXYXRMEIB-NSHDSACASA-N 351.269 4.272 0 40 FIAB CC(C)(C)c1ccc(OCCCC(=O)N2CC(=O)Nc3ccccc32)cc1 24613727 SEUMBYGMSIEOOU-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@H](c1ccsc1)N(C)C 25331662 KJIWDTACLCRKQK-GOSISDBHSA-N 373.909 4.291 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(C)cc2C)cc1 26311295 VUNGEBBHVQZZLM-SFHVURJKSA-N 374.550 4.185 0 40 FIAB CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCC2)c1 27662143 VVHNVGPCXIBMLI-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)cc1 27841647 VIQAMWJAOKVSAD-UHFFFAOYSA-N 354.450 4.251 0 40 FIAB C[C@H](NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1)c1ccccc1 28223612 XWNYBKYQGJVMTR-AWEZNQCLSA-N 365.385 4.078 0 40 FIAB CCOc1ccc(OC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 30937969 DSGQHCJZNRURDN-UHFFFAOYSA-N 350.418 4.166 0 40 FIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(-n2cccc2)cc1 32217649 ZXRBBTAIUFEWHU-QFIPXVFZSA-N 359.473 4.044 0 40 FIAB CC(=O)Nc1cccc(C(=O)NCc2cccc(Oc3ccccc3)c2)c1 32362962 GNTPKCOZWGBUSE-UHFFFAOYSA-N 360.413 4.367 0 40 FIAB CCN(CC(F)(F)F)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 32809942 FVOJIHKGYUUWFX-UHFFFAOYSA-N 356.392 4.160 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(F)c2F)cc1 36358511 LXQIRSZBOCEHSN-AWEZNQCLSA-N 355.344 4.283 0 40 FIAB CC(C)Oc1ccc(-c2noc(-c3cn(C)c4ccccc4c3=O)n2)cc1 38487447 KFACUQCDAOPYCF-UHFFFAOYSA-N 361.401 4.043 0 40 FIAB CC(C)n1nccc1-c1nnc(NC(=O)c2ccc(Cl)cc2Cl)o1 38661766 IGJYWZDAROUVAV-UHFFFAOYSA-N 366.208 4.073 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39772010 VSWUXNFZORVYRY-GOSISDBHSA-N 368.496 4.175 0 40 FIAB CCOc1ccc(CN(C)C(=O)Nc2cccc(OC(F)F)c2)cc1 40120539 QQWIQPBACKUHJB-UHFFFAOYSA-N 350.365 4.351 0 40 FIAB Cn1nc(C(C)(C)C)cc1-c1nn2c(-c3ccccc3Cl)nnc2s1 40268390 WNNJDRYWERNRDC-UHFFFAOYSA-N 372.885 4.204 0 40 FIAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccno2)cs1 44900574 GRFWZLRBOMHPHC-UHFFFAOYSA-N 374.365 4.223 0 40 FIAB C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccccc1F 48355546 RTONULAPKLCXPQ-JTQLQIEISA-N 363.845 4.485 0 40 FIAB CCN(CC)c1nc2sc(C(=O)N[C@H](C)c3ccccn3)cc2s1 48368409 HIBOMNXLBSZNKD-LLVKDONJSA-N 360.508 4.090 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n[nH]2)c(OC)c1 57413072 GZMKNWMQVVDAOF-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccnn2C2CCCCC2)c1 58323569 NQNDBKZVNTYIIK-CQSZACIVSA-N 369.469 4.229 0 40 FIAB Cc1ccc(Nc2ccccc2C(=O)NCc2cn3ccsc3n2)cc1 63745063 ZOHDPGPSEULXTI-UHFFFAOYSA-N 362.458 4.378 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc2c(c1)COC2 64390564 NLJGRTSAZZOGPG-UHFFFAOYSA-N 371.286 4.172 0 40 FIAB Nc1nc(Cl)cc(N[C@H](COCc2ccccc2)c2ccccc2)n1 72293830 XCMNEXZEGCBMEW-MRXNPFEDSA-N 354.841 4.082 0 40 FIAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccncc3)n2)c1 72357821 DFIVLUVSWFVWGZ-JOCHJYFZSA-N 373.456 4.053 0 40 FIAB OC1=Nc2c(cnn2Cc2cccs2)[C@@H](c2ccc(O)c(Cl)c2)C1 72405076 ZLPFEVXOYWULNH-GFCCVEGCSA-N 359.838 4.476 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)c(OC)c1 113970648 MPADLXHSRNZIKM-INIZCTEOSA-N 363.841 4.462 0 40 FIAB O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(-c2ncn[nH]2)c1 156505734 OUORCAGNMMFPSV-SFHVURJKSA-N 374.444 4.038 0 40 FIAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1c(Cl)cccc1Cl 222655147 IOTWLXSHQNOGOM-UHFFFAOYSA-N 372.317 4.434 0 40 FIAB CCCc1ccc(OCCNC(=O)CCCOc2ccc(C)cc2)cc1 224144144 AQAXXJOUUUOASY-UHFFFAOYSA-N 355.478 4.302 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COCC(C)C 224456337 ZWQNIJVJPHFPKU-HNNXBMFYSA-N 359.441 4.498 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 224611629 ZRIFHBLDFRKODQ-SFHVURJKSA-N 355.478 4.218 0 40 FIAB CC[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)c(OC)c1 224792179 QOIFPYHTBCVJKK-HNNXBMFYSA-N 351.805 4.377 0 40 FIAB CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(F)cc1 224915476 JFQJYWJGYMYTBT-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccc(Cl)cc1 225110851 MHNZAUYXEAOKFB-OAHLLOKOSA-N 373.880 4.181 0 40 FIAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 225615087 FUSRSTORWLWUMS-UHFFFAOYSA-N 364.530 4.043 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3cccc(SC)c3)n2)c1 225824372 VXVBDCMVGCGQHR-UHFFFAOYSA-N 369.446 4.038 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCOC1CCCCC1 225875781 MKSIQSPHULWFPA-QGZVFWFLSA-N 359.510 4.188 0 40 FIAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccccc1Cl 226103892 XGBSOFHSNCGLMN-UHFFFAOYSA-N 368.824 4.300 0 40 FIAB COc1cc(OC)c2c(Cl)c(C(=O)O)sc2c1Br 228943505 IAPIOEJRADSLMK-UHFFFAOYSA-N 351.605 4.033 0 40 FIAB Cc1cc(C)nc(Nc2cncc(C3CCN(Cc4ccccc4)CC3)n2)n1 257279806 OIGAYGONANQHCJ-UHFFFAOYSA-N 374.492 4.007 0 40 FIAB c1ccc([C@@H]2CN(c3ncnc4c3oc3ccccc34)[C@H]3CCOC[C@@H]32)cc1 329183779 FTDADYWXQZTLHC-OTWHNJEPSA-N 371.440 4.385 0 40 FIAB Cc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)cc1C 409096982 MVVCFCTZTXUVNS-UHFFFAOYSA-N 359.458 4.492 0 40 FIAB Cc1nc([C@H]2CCCN(Cc3cccc(C(=O)O)c3Cl)C2)sc1C 516657010 SILIWWNKUOQCQC-AWEZNQCLSA-N 364.898 4.491 0 40 FIAB C[C@@H](NCc1ccsc1C(F)(F)F)c1ccc(-n2ccnn2)cc1 529541833 KFKRIMANXKMYSH-LLVKDONJSA-N 352.385 4.198 0 40 FIAB O=C(C1CCC(F)(F)CC1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776008634 LIIWFFYBQWZEKQ-KBPBESRZSA-N 357.832 4.057 0 40 FIAB CC(=O)c1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)nc1C 11916126 MMCZIZGAHBLRRZ-UHFFFAOYSA-N 361.810 4.215 0 40 FIAB CCOC(=O)c1c(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)sc(C)c1C 102267217 FAQMGCVYYDNRER-RWMBFGLXSA-N 352.525 4.017 0 40 FIAB O=C(Sc1ccccc1)N1CCN(C(=O)Sc2ccccc2)CC1 1572509 NBXIZICRRJGNMY-UHFFFAOYSA-N 358.488 4.429 0 40 FIAB O=C(OCc1coc(-c2cccs2)n1)c1cncn1-c1ccc(F)cc1 21510375 BGTGMPJOHOQWNX-UHFFFAOYSA-N 369.377 4.085 0 40 FIAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 2628871 MDWKHRNWIVCOID-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB CCOC(=O)c1cc(-c2ccncc2)nn1-c1ccc(Cl)c(Cl)c1 32860197 SNKCUUPRQBDTNH-UHFFFAOYSA-N 362.216 4.418 0 40 FIAB COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC(F)F 2796695 ZYKSRXARHTVDTR-UHFFFAOYSA-N 372.165 4.311 0 40 FIAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7310815 XXMYYTUTFVZOCV-KRWDZBQOSA-N 374.440 4.230 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7641938 SOEHWGXWTSCTHX-HNNXBMFYSA-N 354.475 4.241 0 40 FIAB CSc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 7684279 AXGMCSXRTRKUSD-UHFFFAOYSA-N 359.838 4.042 0 40 FIAB Cc1ccc(C)c2c1CCC[C@@H]2OC(=O)c1ccc(CS(C)(=O)=O)cc1 97032715 GYIVMBFVVZSPKN-IBGZPJMESA-N 372.486 4.082 0 40 FIAB CC(=O)N(C)c1nc(CSc2nc(C3CC3)nc3ccccc23)cs1 52891388 BSWXOTBXTKXCKU-UHFFFAOYSA-N 370.503 4.239 0 40 FIAB O=C(Cc1cn2ccsc2n1)Nc1cccc(/C=C/c2ccccn2)c1 12108546 VBLCNNXRYXNWGO-BQYQJAHWSA-N 360.442 4.142 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)N(C)[C@H](C)c3cccs3)o2)cc1 53315298 SIFICGIZBUMWBF-CQSZACIVSA-N 355.463 4.259 0 40 FIAB CC(=O)Nc1cc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)ccc1F 53475181 CKMDNTXWMQEZDD-UHFFFAOYSA-N 353.353 4.055 0 40 FIAB CC(C)(C)c1ccc(-c2n[nH]c(SCC(=O)NC3CCCCC3)n2)cc1 9199711 SRACNFAVGIZSHF-UHFFFAOYSA-N 372.538 4.310 0 40 FIAB O=C(COc1ccc(OCc2cccnc2)cc1)N1CCCc2ccccc21 54274379 VEDFXULAKKRVEN-UHFFFAOYSA-N 374.440 4.019 0 40 FIAB CCN(C1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1 944185 JNDFMFVQMRXDMK-UHFFFAOYSA-N 361.228 4.190 0 40 FIAB Nn1c(SCc2cccc(Oc3ccccc3)c2)nnc1C(F)(F)F 1282684 UHSGBAWJXHVGRN-UHFFFAOYSA-N 366.368 4.095 0 40 FIAB Cc1ccc(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)cc1 1326343 JITNRPFPTVZLRH-UHFFFAOYSA-N 365.502 4.423 0 40 FIAB CC(C)[C@@H](C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 12594833 ZQNUORDXVIJTIH-OAHLLOKOSA-N 353.491 4.278 0 40 FIAB O=C1O[C@H](c2ccccc2)[C@@](O)(c2ccccc2)N1Cc1cccs1 1422466 LUOUFCILZDDTNK-QUCCMNQESA-N 351.427 4.287 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@@H]1CCc2cc(Cl)ccc21 55737903 WSQFPYHFFIUNOO-QGZVFWFLSA-N 367.836 4.126 0 40 FIAB Cc1ccc([C@@H]2C=C(C(=O)O)Nc3cc(-c4ccc(Cl)cc4)nn32)cc1 101353784 MSTUHZMFRBAZPK-SFHVURJKSA-N 365.820 4.495 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(CC)cc1 10332442 ACHZWYSPMAITSR-UHFFFAOYSA-N 352.478 4.350 0 40 FIAB COc1cc(NC(=O)c2cc(C)cc(C)c2)ccc1-c1ccc(CO)o1 20138840 SUDUXSCQZYBWRP-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 408545737 NNPIZMWSFBZUJA-UHFFFAOYSA-N 374.506 4.024 0 40 FIAB Brc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 2397987 ZDISUQYYBPFDRJ-HOTGVXAUSA-N 355.239 4.187 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)c3c(C)nn(C)c3n2)cc1 36613199 ZYHSVZKQZDNNOJ-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)CSc1ncnc2sccc12 11306280 MHTNYFAWSGRDSD-UHFFFAOYSA-N 363.895 4.095 0 40 FIAB CC[C@H](NC(=O)CCc1ccccc1O)c1ccc(Br)cc1 36758596 SVDDEADHMLPMLL-INIZCTEOSA-N 362.267 4.355 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 12793010 AFZMDIYKMSAYHV-UHFFFAOYSA-N 359.426 4.434 0 40 FIAB CN(C(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccccc1 8735409 JUXKNWHVZXVINY-QGZVFWFLSA-N 351.475 4.096 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Cl)cc1Cl 12988459 LTBYMXZKBGITEV-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)c1 3607972 LSSIBKFAQFFLDU-AWEZNQCLSA-N 362.267 4.322 0 40 FIAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccccc1Cl 5061332 NGODLNMZRSBHOF-UHFFFAOYSA-N 353.805 4.218 0 40 FIAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 5361935 KLPFPCMPYWTUBW-UHFFFAOYSA-N 371.458 4.015 0 40 FIAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc2ccccc2c1 6508829 ZDBCPQAEUFVGDC-UHFFFAOYSA-N 373.441 4.095 0 40 FIAB Cc1occc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 14503723 BMLUYOHHNQTCMQ-UHFFFAOYSA-N 371.440 4.430 0 40 FIAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)CC(C)C 6665017 YJHRDZBPSOPJII-UHFFFAOYSA-N 368.481 4.279 0 40 FIAB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc(C)c2C)n1 4777254 DRVJYJMFMLTSML-UHFFFAOYSA-N 352.463 4.128 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 6747683 JDBXFVQQIPNJGP-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB CCN(C(=O)COc1ccc(OC)cc1)c1nc2c(C)cccc2s1 6887029 BGCKDSAAROLFGU-UHFFFAOYSA-N 356.447 4.045 0 40 FIAB C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N(C)CCOc1ccc(Cl)cc1 5937503 IIRZJOFYZXMERQ-CVEARBPZSA-N 372.896 4.017 0 40 FIAB CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 408963307 YZLADOBVWJEMMU-YBEGLDIGSA-N 371.414 4.400 0 40 FIAB CN(CCc1ccccn1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 9322281 ALDAEZZGJWFYRM-UHFFFAOYSA-N 357.866 4.173 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)c1cc(C2CC2)nc2ccccc12 8135560 JIJKYRCWLJOLJX-UHFFFAOYSA-N 370.456 4.200 0 40 FIAB Cc1ccc(-c2cc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)on2)cc1 8345686 HOLZMEQKIHRCQV-UHFFFAOYSA-N 370.792 4.327 0 40 FIAB Fc1ccc(-c2noc([C@@H]3CCCN(c4nc5ccccc5o4)C3)n2)cc1 71924488 ARMLBAZFCXKYEO-CQSZACIVSA-N 364.380 4.401 0 40 FIAB COc1cc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cc(OC)c1 96759154 QDKHSOMZEXCQOE-AUWJEWJLSA-N 368.458 4.036 0 40 FIAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCC[C@H]1C1CCCCC1 84582954 SICZNJVFUMAMMJ-FUHWJXTLSA-N 358.507 4.061 0 40 FIAB O=C(CCCc1csc2ccccc12)N1CCC(n2ccnc2)CC1 95964752 JOMOBISKGMAYGP-UHFFFAOYSA-N 353.491 4.284 0 40 FIAB Cc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1 826199 CABNKXINDRVAJY-BWWMBTDCSA-N 365.432 4.392 0 40 FIAB biogenic CCN(c1ccc(NC(=O)CSCc2c(C)noc2C)cc1)C(C)C 30638559 HXNDTKLGUDTOGK-UHFFFAOYSA-N 361.511 4.398 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219685578 NFEKXNDFHSPOHR-KGLIPLIRSA-N 362.267 4.402 0 40 FIAB C[C@H](COc1ccccc1)NC(=S)Nc1cccc(C(F)(F)F)c1 225781984 AQPVKDVXCUWKIT-GFCCVEGCSA-N 354.397 4.459 0 40 FIAB Cc1nnc2sc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nn12 226298458 PGDMGSDWYADQRF-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 223101854 DGQUPNAKUOHHOK-HNNXBMFYSA-N 355.434 4.311 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(Cl)cc1 224440082 LQHFXIUZWBPDDN-MRXNPFEDSA-N 368.260 4.346 0 40 FIAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1OC 225576090 UQKZGFZYQPDMEL-HNNXBMFYSA-N 372.490 4.293 0 40 FIAB O=C(CSCc1cccc(Cl)c1)NCCOc1ccccc1Cl 223404381 BQOJDBIHGVOQHA-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccco1 44900902 UPQIXRPPPPMPEX-INIZCTEOSA-N 353.871 4.140 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1cc2c(cc1OC)CCCC2 225219209 YIVCQJAYBQWKTQ-UHFFFAOYSA-N 359.491 4.246 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 224694051 QRMLMWWZSJZOKS-MSOLQXFVSA-N 371.477 4.437 0 40 FIAB CCCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1C 45890795 CXMLYDPFVXNUFC-UHFFFAOYSA-N 364.081 4.149 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)OC)cc1 225843474 MNWJKVZIOPKKFQ-HXUWFJFHSA-N 367.445 4.148 0 40 FIAB Cc1ccc(SCC(=O)Nc2nnc(SCC(C)C)s2)cc1 223466726 ZBVBOPDPCSADJB-UHFFFAOYSA-N 353.538 4.325 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 95481669 HDUZDAYPZAAFEV-CYBMUJFWSA-N 373.503 4.078 0 40 FIAB CC(C)(C)n1cc(CN2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cn1 535810568 QOIGIASEDXPHRO-HNNXBMFYSA-N 356.445 4.298 0 40 FIAB CC(C)n1cc(-c2nccnc2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 257318321 VNJYRTPRXYNBAX-HNNXBMFYSA-N 371.485 4.036 0 40 FIAB C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H](n2ccnn2)CC1 639816318 DJFFQFZGCZFPLB-RHSMWYFYSA-N 371.872 4.375 0 40 FIAB CCN1CCN(C(=O)c2ccc(-c3cccc4cccnc34)cc2)C[C@@H]1C 671783709 TWXVMFOSXRARNR-KRWDZBQOSA-N 359.473 4.068 0 40 FIAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)C1(c2ccc(F)cc2)CC1 1775968861 XLSHJNIIRADZCC-INIZCTEOSA-N 371.433 4.029 0 40 FIAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3ccccn3)cs2)nc1 1615189069 CCEHPPUBKWVYOQ-KRWDZBQOSA-N 351.479 4.322 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)cc1 5021040 MHRFJQHEJQICSN-ZDUSSCGKSA-N 353.447 4.418 0 40 FIAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2cccs2)C1 12239231 RUJRZNASFQIIGI-QGZVFWFLSA-N 365.502 4.436 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccccc2)n1CC)C(=O)Nc1ccccc1 12615977 TZNYCOGGVKEZCG-QGZVFWFLSA-N 366.490 4.474 0 40 FIAB Cc1cccnc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 12779202 RJWGELHPKLSLRY-UHFFFAOYSA-N 350.422 4.135 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(=O)O)ccc1Cl 13167660 PCZYBLPKEFAXEN-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB Cc1ccc(C2(C(=O)Nc3n[nH]c4c(Cl)cccc34)CCOCC2)cc1 154297004 KJCWXGZMAXEYHF-UHFFFAOYSA-N 369.852 4.212 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(C)cc2N)cc1 226331294 HCOLEECEMLSGID-OAHLLOKOSA-N 353.466 4.217 0 40 FIAB COC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 226333573 XRGNFWJIVPWHJC-WEVVVXLNSA-N 365.198 4.353 0 40 FIAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1 892268 FTWYSGXEIJGCDK-UHFFFAOYSA-N 354.413 4.251 0 40 FIAB Cn1nccc1-c1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 1889298772 AIANOFUIYYZZIA-UHFFFAOYSA-N 374.271 4.366 0 40 FIAB C[C@]1(C(F)(F)F)CN(C(=O)Nc2ccc(Cl)cc2Cl)CCO1 1622705503 AEPDZYUJDINEQQ-GFCCVEGCSA-N 357.159 4.179 0 40 FIAB COc1ccc(CC(=O)Nc2c(-c3cccs3)nc3ccccn23)cc1 3906457 FYKKYUBHPOHTEX-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB Clc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1 4327216 UFVSPPBRHRVBAG-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB COc1ccc(N2CCn3c(SCc4ccc(C)cc4)nnc32)cc1 17041839 UYVOGXBQLRGHER-UHFFFAOYSA-N 352.463 4.039 0 40 FIAB COc1ccccc1-c1cc(C(=O)Nc2ccc3sc(C)nc3c2)n[nH]1 38488974 OHKUFBLLKKOESR-UHFFFAOYSA-N 364.430 4.256 0 40 FIAB c1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 17190743 NVKCCFCFOMXOMW-UHFFFAOYSA-N 356.433 4.159 0 40 FIAB COc1ccc([C@H](NC(=O)c2cn3ccc(C)cc3n2)c2ccccc2)cc1 20017069 MSZHVVVJSPCFNK-JOCHJYFZSA-N 371.440 4.171 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccccc1N1CCc2sccc2C1 40134142 ZYKSGNRAGKGHSE-UHFFFAOYSA-N 353.447 4.168 0 40 FIAB Cn1ccc2c(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cccc21 40312888 DNAVRBBJWHDMPF-UHFFFAOYSA-N 351.837 4.286 0 40 FIAB biogenic Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C(C)C)cc3)ccc12 798336 NBMRVRCFUWTNPS-UHFFFAOYSA-N 351.402 4.242 0 40 FIAB biogenic CN1O[C@H](COC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 1391382 PZEDNXMKKOWWMT-DLBZAZTESA-N 365.351 4.239 0 40 FIAB CCOc1cc2occ(-c3ccc4c(c3)OCCO4)c(=O)c2cc1CC 1463968 MHTOWBSSVLWAJU-UHFFFAOYSA-N 352.386 4.192 0 40 FIAB biogenic CCCCCCC(=O)Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1 2068240 VEXVZHRNHMWQLC-UHFFFAOYSA-N 351.402 4.363 0 40 FIAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(c1ccc(F)cc1)C3 2329408 QBGADMKCUYDDKJ-UHFFFAOYSA-N 371.795 4.431 0 40 FIAB CCN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 2765129 UYXWREBYZQBSEA-UHFFFAOYSA-N 361.283 4.300 0 40 FIAB O=c1c2ccccc2nc(SCc2ccccc2F)n1C[C@H]1CCCO1 3052076 CKIZTQWXZMFUMT-OAHLLOKOSA-N 370.449 4.007 0 40 FIAB O=C(CN[C@H]1CCCc2ccccc21)Nc1ccccc1Br 3283067 YINGCJSGZDFBSW-INIZCTEOSA-N 359.267 4.055 0 40 FIAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 3314037 VXUMDWXJWOMBNW-UHFFFAOYSA-N 364.228 4.130 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2cccc(F)c2)cc1 4119861 AFQUWKLGPMGFNR-UHFFFAOYSA-N 372.465 4.358 0 40 FIAB O=C(Cc1ccc(F)cc1)N1CCN=C1SCc1ccc(Cl)cc1 4120081 LTKBRRAZXLNYBA-UHFFFAOYSA-N 362.857 4.153 0 40 FIAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O 4777182 VYLJGYZPUKNHJR-AWEZNQCLSA-N 371.868 4.417 0 40 FIAB CCOCCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971383 DLFIOFVEMWYWBO-UHFFFAOYSA-N 360.454 4.047 0 40 FIAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1cccc2c3c(oc12)CCCC3 5358326 GXIUHNGDHPOTMO-ULQDDVLXSA-N 357.494 4.314 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6159549 JNKYIXGNNPCIPV-UHFFFAOYSA-N 352.463 4.089 0 40 FIAB CCOc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1cccnc1)=N2 6601937 UFOZZPYJDQZGNJ-UHFFFAOYSA-N 356.429 4.223 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(N2CCCC2)cc1 6605897 MQEVMQZCQOBLEV-UHFFFAOYSA-N 360.889 4.353 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)s1 6886771 HYUCXJWUEYMQCI-UHFFFAOYSA-N 358.246 4.467 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6957193 WEHKMIACFPLVLN-VQIMIIECSA-N 366.461 4.282 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)COc2ccc3ccccc3c2)cc1 7696860 UWGPQLTZESUZIK-UHFFFAOYSA-N 371.440 4.411 0 40 FIAB Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 7777902 MHRMIFRZMHMDDO-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB CCCOC(=O)c1ccc2nc(C)c(CN3CCC[C@H](C)C3)c(O)c2c1 8717197 ZDTZEXREGSNIPY-AWEZNQCLSA-N 356.466 4.048 0 40 FIAB CCCOC(=O)c1ccc2nc(C)c(CN3CCCC[C@H]3C)c(O)c2c1 8717208 SKQUUCMEJLDJKL-CQSZACIVSA-N 356.466 4.190 0 40 FIAB CSc1cccc(NC(=O)[C@@H](NC(=O)Nc2ccccc2)C(C)C)c1 8723851 LEVKAQXYBORPHC-KRWDZBQOSA-N 357.479 4.193 0 40 FIAB CC[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)Nc1cc(C)on1 9515089 HDJJJERLOMWUNL-HNNXBMFYSA-N 368.462 4.313 0 40 FIAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCCCC1 10015329 WXPJEWLCTCHKKZ-UHFFFAOYSA-N 374.510 4.148 0 40 FIAB Fc1ccc(CNc2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)cc1 12221812 WYGHKSURQVHABS-UHFFFAOYSA-N 363.371 4.424 0 40 FIAB COc1ccccc1NC(=O)CCn1c(-c2ccncc2)cc2cccnc21 12222705 JQWVIOPDNKGJND-UHFFFAOYSA-N 372.428 4.136 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cnn(Cc3ccccc3)c2C)on1 12366538 BJCCIPARRKWLMY-SIKLNZKXSA-N 364.493 4.037 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12547572 UFRACGFNRCJALJ-FZKQIMNGSA-N 369.852 4.347 0 40 FIAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O 12688574 CBUJNFLVPXVWAR-QFIPXVFZSA-N 370.493 4.274 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2N2CCCC2=O)c1 12763568 NOOZQZIFQPYFJX-UHFFFAOYSA-N 366.461 4.263 0 40 FIAB Cc1cc(C)n(CCCNc2nc(-c3ccncc3)nc3ccccc23)n1 12765212 UDIPCZGJCQHELM-UHFFFAOYSA-N 358.449 4.007 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2csc(-c3ccccc3)n2)c1 12922392 VLRWQMAYJWDJME-CYBMUJFWSA-N 368.458 4.318 0 40 FIAB COc1ccccc1CCC(=O)Nc1ccnn1Cc1cccc(Cl)c1 12937731 QROVJNFGPPYUJG-UHFFFAOYSA-N 369.852 4.165 0 40 FIAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1ccc2ccccc2c1 12985162 NLPQBYPUBYMKOT-UHFFFAOYSA-N 363.457 4.448 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)N(Cc1ccccc1)Cc1ccccc1 13582465 LSHZUWJVGLQZIC-UHFFFAOYSA-N 359.425 4.300 0 40 FIAB COc1ccc(OC)c(/N=c2/[nH]c(-c3ccccc3)nc3ccccc23)c1 13633713 FBIKHEMPRKUPRV-UHFFFAOYSA-N 357.413 4.480 0 40 FIAB CC(C)Cc1cc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)n[nH]1 13719944 KWJUZLUWDFAXLF-UHFFFAOYSA-N 372.885 4.019 0 40 FIAB CCc1nnc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)s1 13721937 QYNMWXAWLCCZRS-UHFFFAOYSA-N 369.475 4.037 0 40 FIAB O=C(COc1ccc(Cl)c2ccccc12)Nc1nc2c(s1)CCC2 15637060 VFQYDPBAUHEMSC-UHFFFAOYSA-N 358.850 4.456 0 40 FIAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCc1cccnc1 17168776 BNJUOPYVYPBCFS-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB O=S(=O)(Cc1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 18195149 LKKCZDAPCLJLIH-UHFFFAOYSA-N 363.442 4.172 0 40 FIAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)C1CCCCC1 19574242 SKUGABROBWSPAC-LBPRGKRZSA-N 353.388 4.140 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20141207 OROQUZAJYIJQAJ-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1OC(F)F)NCC2 20506989 KUQFMGPZDMVJQS-LJQANCHMSA-N 363.404 4.321 0 40 FIAB CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 22236709 KTSZHYSSLAUTFV-UHFFFAOYSA-N 360.335 4.293 0 40 FIAB Cc1ccc(Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 23881827 NKENYFNAUSHFCE-UHFFFAOYSA-N 368.506 4.192 0 40 FIAB COc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1Cl 27994989 IFDHYLUEEAUCDF-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc(Cl)ccc1F 32911564 BPRQZHSIGNSHFK-UHFFFAOYSA-N 371.843 4.336 0 40 FIAB CCN(C(C)=O)c1nc(CN(C)[C@H](C)c2cc3ccccc3o2)cs1 32928710 CJLLSFBMHXXBKK-CYBMUJFWSA-N 357.479 4.455 0 40 FIAB COc1ccc([C@H]2SC(=S)N(C)[C@H](c3ccc(OC)cc3)N2C)cc1 34152441 NWSJPEOLHUGGLH-QZTJIDSGSA-N 374.531 4.297 0 40 FIAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc(F)cc1 44532467 QZKRVRRWUREQGQ-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB Cc1ccc(C)c(CC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44875231 VIPPPKPUXOPAQX-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB COc1ccc2cc(C(=O)Nc3ccc(OC)c(OC(F)F)c3)[nH]c2c1 46728680 RLPIVJMHGHUAEG-UHFFFAOYSA-N 362.332 4.039 0 40 FIAB COc1cc(OC)cc(-c2noc(-c3cc(-c4ccccc4C)n[nH]3)n2)c1 46914394 RDWYYPRFIPPLQM-UHFFFAOYSA-N 362.389 4.119 0 40 FIAB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1OC(F)F 47957555 QEDTXLYCTAVBKX-OAHLLOKOSA-N 365.351 4.413 0 40 FIAB C[C@@H](c1ccccc1)n1cnn(CN2CCc3sccc3C2)c1=S 48340521 PJFVTRDZKHDQDZ-AWEZNQCLSA-N 356.520 4.101 0 40 FIAB COc1cc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)ccc1NC(C)=O 56162658 UDJPWUQKXPZOIM-CQSZACIVSA-N 369.465 4.216 0 40 FIAB CCN(C)Cc1cccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)c1 58014316 ZJFCZKGQAKEFBH-UHFFFAOYSA-N 364.411 4.016 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)OC(C)(C)C)sc1C 58154326 HPRZFBWHMFYTIF-DZGCQCFKSA-N 366.527 4.273 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1nccc2ccccc12 65607278 HAXRRIBIRXDOPG-RTBURBONSA-N 350.393 4.024 0 40 FIAB O=C(NCC1(O)CCCCCC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 72290232 GXNBJEDHLYEBQX-CABCVRRESA-N 355.400 4.010 0 40 FIAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2Cc2ccccc2)c1 72376755 RPFSYONGQSZTKE-NRFANRHFSA-N 374.488 4.462 0 40 FIAB CCc1nccn1-c1cccc([C@H]2CCCN2Cc2ccc(F)cc2)n1 72379072 APFACWXZPWWJTJ-LJQANCHMSA-N 350.441 4.306 0 40 FIAB Cc1noc(C)c1CCc1nc(-c2ccc(N3CCCCC3)cc2)no1 73145140 GSGKZTHDKGQXDO-UHFFFAOYSA-N 352.438 4.117 0 40 FIAB O=C(Cc1ccc(F)cc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165854 CVVRMQVWKIVOQJ-OALUTQOASA-N 370.424 4.044 0 40 FIAB O=C(Nc1cccc(OCc2cscn2)c1)[C@H]1CCOc2ccccc21 76805997 QLWIXYPQUWFCDL-SFHVURJKSA-N 366.442 4.227 0 40 FIAB COC(=O)c1ccc(O[C@H](C)c2nc(Cc3ccc(Cl)cc3)no2)cc1 78876236 HLSVLYAGICBCML-GFCCVEGCSA-N 372.808 4.240 0 40 FIAB COc1cccc([C@@H](C)CC(=O)N[C@@H]2C(=O)Nc3ccc(C(C)C)cc32)c1 96011922 VMFUTHBHBIFVGS-QKKBWIMNSA-N 366.461 4.122 0 40 FIAB O=C(c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1)N1CCCC1 96147753 PKLYSPAAEJDWNN-UHFFFAOYSA-N 359.385 4.386 0 40 FIAB CC(C)n1cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c2ccccc21 96343578 DYZYWLXCIRNQDI-YLJYHZDGSA-N 353.510 4.217 0 40 FIAB biogenic COc1ccc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(F)c(F)c2)C3)cc1 100766789 UXVXOUIGTMSEAE-ROUUACIJSA-N 373.443 4.093 0 40 FIAB COc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 102612263 PJKYTQJJUVENEU-VFNWGFHPSA-N 372.428 4.352 0 40 FIAB CSc1ncc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cn1 107977975 OVBLIBWWSUEWCG-VMPITWQZSA-N 368.487 4.282 0 40 FIAB Cc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 218939977 OQRZTDQPEPCHHR-KRWDZBQOSA-N 359.853 4.446 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1c(F)cccc1Cl 219482367 ZCSLBHBJSXEWIN-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB CCc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 223367384 VXPMUSKRAQQCPD-UHFFFAOYSA-N 368.260 4.130 0 40 FIAB COc1ncccc1NC(=S)NCC1(c2ccc(F)cc2)CCCC1 223982501 DKOUCVXYEPTYCP-UHFFFAOYSA-N 359.470 4.028 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)cc2C)cc1Cl 224963579 OEULFVPTLPQPKR-UHFFFAOYSA-N 353.871 4.099 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225470385 BRAIIWLUFSGTBQ-INIZCTEOSA-N 367.518 4.478 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 242806856 FHDADWIRDBOCKH-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB COc1ccc([C@H](N[C@@H]2CCCn3ccnc32)c2ccccc2OC)cc1 655736718 HAVHEBXYNVIEMD-CTNGQTDRSA-N 363.461 4.114 0 40 FIAB Cc1nc(NC(=O)NC[C@H]2CCN(C(C)(C)C)C2)ccc1-c1ccccc1 667117179 QBJAFMPKJSFIGS-QGZVFWFLSA-N 366.509 4.299 0 40 FIAB OC[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccccc21 675748014 YSYYMXQAOXHKJH-KSFYIVLOSA-N 359.473 4.220 0 40 FIAB Cn1cc(-c2ccc(CNc3ccc([C@H](O)C(F)(F)F)cc3)s2)cn1 1560559400 JQMDALNUYCFTTQ-INIZCTEOSA-N 367.396 4.356 0 40 FIAB CCN(CC)CCNC(=O)c1ccnc(Oc2ccc(C(C)C)cc2)c1 1587051144 QQCYFFMAJZZYLI-UHFFFAOYSA-N 355.482 4.069 0 40 FIAB Cc1ncccc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615160895 UJVZEROEXMIGIX-UZLBHIALSA-N 367.468 4.049 0 40 FIAB CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(Cl)c(Cl)cc1C 1775967668 ADOCBGOAIDFYKE-UHFFFAOYSA-N 374.245 4.028 0 40 FIAB COCCn1c(SCc2nnc(-c3ccccc3)o2)nc2ccccc21 2621422 FHOKPTDVKMWVDM-UHFFFAOYSA-N 366.446 4.025 0 40 FIAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1cccc2ccccc12 2642662 XNDLVMHIKBNASY-HSZRJFAPSA-N 356.425 4.123 0 40 FIAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1Cc2ccccc2O1 32768853 HETKVRGYOFZTOA-LJQANCHMSA-N 353.805 4.220 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Oc3ccccc3)cc2)NC(=O)N1 1082697 XXRGXZUMOOUFEZ-IBGZPJMESA-N 366.417 4.058 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 3369493 RLBMCYRZYROCGR-SNVBAGLBSA-N 363.788 4.398 0 40 FIAB CC(C)N(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccccc1 3378787 ICPCABLEJZGSOZ-OAHLLOKOSA-N 371.502 4.471 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(Cl)s1 3512863 OQDTVQSFMNOBLW-UHFFFAOYSA-N 361.806 4.405 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Cl)C1=O 6655933 JVPBONAVKMJCTR-RIYZIHGNSA-N 355.843 4.194 0 40 FIAB CCCN1C(=O)S/C(=C/c2ccc(OCC)c(Br)c2)C1=O 6656440 XOJBQGBOCSQVOZ-UKTHLTGXSA-N 370.268 4.294 0 40 FIAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 33047885 ZCVFVCSCINNTNP-JTQLQIEISA-N 363.788 4.398 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 103582391 GPUICRRGZWEEKW-GOSISDBHSA-N 355.825 4.427 0 40 FIAB C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 57576988 DPEMLBCGJXILSX-GHMZBOCLSA-N 357.306 4.410 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 788124 BHDFEEGQIVJTNJ-HNNXBMFYSA-N 364.832 4.485 0 40 FIAB CCc1ccc(N2C[C@@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1 12414378 QVJMHPNZWVLHKZ-AWEZNQCLSA-N 367.836 4.473 0 40 FIAB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C)c2)C3=O)c1 853068 VEHMALXUSAMSQI-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)c1 853609 VUNXKIZVWVEOMH-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB O=C(NC1CCCCC1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 815256 MKUBAPSHPGGQKZ-UHFFFAOYSA-N 370.403 4.396 0 40 FIAB CC[C@H](C)NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 866498 UHBSRQUXZFSYLJ-NDMJEZRESA-N 372.416 4.133 0 40 FIAB Cc1cc(C)c2cc(C(=O)N(C)C[C@@H]3COc4ccccc4O3)[nH]c2c1C 23184264 ZAZGDSMVCIMASG-MRXNPFEDSA-N 364.445 4.005 0 40 FIAB COc1ccccc1OCC(=O)Nc1ccc(OCc2ccccc2)cc1 986706 NJLMSRPQASADKO-UHFFFAOYSA-N 363.413 4.292 0 40 FIAB Cc1cc(OCC(=O)NCc2ccc(OC(C)C)cc2)cc(C)c1Cl 20038174 BUCCXHLDYCTZCH-UHFFFAOYSA-N 361.869 4.439 0 40 FIAB COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)c1 47711495 HZRUIMYHWKVCLZ-GFCCVEGCSA-N 353.378 4.494 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20457758 YPEKDFMSMPNAEL-INIZCTEOSA-N 355.434 4.195 0 40 FIAB Cc1cc(=O)oc2cc(NC(=S)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)ccc12 101115510 WJCKIJRHIKLOKZ-CFAJVAMVSA-N 356.491 4.213 0 40 FIAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC(Cc2ccccc2)CC1 24490690 GYSWRZVSQATGBH-UHFFFAOYSA-N 372.472 4.315 0 40 FIAB CCN(CC)CCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 22074934 MWFDFEHKUAQSBZ-UHFFFAOYSA-N 356.510 4.014 0 40 FIAB COc1cc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc(OC)c1 44837998 FDANSSXNJKXCLQ-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 10285145 KQTCSQMFBNFSAW-JLTOFOAXSA-N 372.440 4.354 0 40 FIAB O=C(COC(=O)C1CCCCC1)NC(c1ccccc1)c1ccccc1 3314702 VIJBDYADCHAKMZ-UHFFFAOYSA-N 351.446 4.016 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1c(C)nn(Cc3ccccc3)c1C)SCC(O)=N2 44901770 FXTNJTBEEHWJCM-GOSISDBHSA-N 367.478 4.004 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccc(F)cc1 12761973 YINLFIYGJOQKRO-UHFFFAOYSA-N 352.413 4.292 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4)nnc32)cc1Cl 2343632 IESQPACJWISHFS-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2OC)cc1 21116970 MKIOMULHIBBWKA-LLVKDONJSA-N 351.855 4.477 0 40 FIAB COc1cccc(Oc2ccc(NC(=S)NCc3ccccc3)cn2)c1 408585077 BZGYDHKIDUVLGD-UHFFFAOYSA-N 365.458 4.369 0 40 FIAB Cc1nc(SCC(=O)NC2CCCCC2)c2oc3ccccc3c2n1 2400988 JUTUHPJAPYZKLQ-UHFFFAOYSA-N 355.463 4.225 0 40 FIAB CCOC(=O)C1=C(C)N(C2CCCC2)C(=O)N[C@@H]1c1ccc(Cl)cc1 3418954 FXMNUHOQVHEOJO-QGZVFWFLSA-N 362.857 4.186 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 16780723 VAGOFAOGEGNATL-STQMWFEESA-N 359.919 4.104 0 40 FIAB Cc1noc(CCCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)n1 48833439 VYZZORFREXEMOM-JTQLQIEISA-N 356.253 4.227 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCc3ccco3)cc12 8275494 AAMLCJYOOHINDJ-UHFFFAOYSA-N 369.421 4.100 0 40 FIAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(C(C)C)C3 13728346 TWNSZJMFXZNDDO-UHFFFAOYSA-N 351.402 4.029 0 40 FIAB biogenic O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccc2c(c1)CCC2 6436759 ZDJWZSJLOPXYHI-UHFFFAOYSA-N 355.459 4.067 0 40 FIAB O=C(OCc1ccc(I)cc1)c1cccc(Cl)c1 409213784 TWALQUFAWAZIOF-UHFFFAOYSA-N 372.589 4.302 0 40 FIAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20143357 OECPBPCMTRNYKP-UHFFFAOYSA-N 363.797 4.088 0 40 FIAB COc1cccc(/C=C/C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)c1 6886916 MQPMGNLVPBRWTC-CSKARUKUSA-N 364.397 4.175 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)OCc2cc(Cl)cc3c2OCOC3)c1 7158881 BAPHZXHJMNVGNK-CYBMUJFWSA-N 362.809 4.026 0 40 FIAB C[C@H](c1cccs1)N(C)CC(=O)Nc1ccccc1Br 9494279 QFHBPTGFNKIAFO-LLVKDONJSA-N 353.285 4.142 0 40 FIAB O=C(NCc1ccc(C(=O)O)o1)OCC1c2ccccc2-c2ccccc21 87043345 KRRSDMPUICWCLM-UHFFFAOYSA-N 363.369 4.017 0 40 FIAB C[C@@H]1CN(CCc2cccc(NC(=O)c3ccnc(Cl)c3)c2)C[C@H]1C 95992876 MNDICUAYTKIMGP-HUUCEWRRSA-N 357.885 4.118 0 40 FIAB O=C(N[C@@H]1CCN2CCC[C@@H]2C1)c1cc2ccccc2n1Cc1ccccc1 95953037 AYMDAKIPQXELNI-NHCUHLMSSA-N 373.500 4.046 0 40 FIAB O=C(N[C@@H]1COc2ccccc21)N1CCC[C@H]1Cc1ccccc1Cl 89813878 MFBQUFYQAINBPJ-MAUKXSAKSA-N 356.853 4.190 0 40 FIAB CCn1nccc1[C@@H](C)Nc1nc(-c2cccc(OC)c2)cc(C(F)F)n1 36614118 UYKNJPURTLGLHC-GFCCVEGCSA-N 373.407 4.479 0 40 FIAB COc1ccc([C@@H]2C[C@@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)cc1 31430139 LCJBLLVQLVLEMH-AVRDEDQJSA-N 367.445 4.150 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCc3ccccc3C1)C2 35075047 ZDEGWONPYAWLCN-NNXSRULWSA-N 357.538 4.027 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O 409107192 QUZXJBHVMQRXNZ-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB CCCN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 72371197 DJJGZALKFKINQI-AWEZNQCLSA-N 367.415 4.249 0 40 FIAB COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3C)C(C)C)n2)cc1 526052392 HOKUEYRHJCUPLC-GOSISDBHSA-N 365.433 4.181 0 40 FIAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3cccnc3)CC2)n1 72349106 UQSGEDHEMHWOLJ-UHFFFAOYSA-N 371.484 4.396 0 40 FIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 72379058 NMOVLGNDHLNDOK-SFHVURJKSA-N 361.493 4.165 0 40 FIAB CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1ccccc1C 31461256 XHBRSVVKNKZLEC-UHFFFAOYSA-N 370.518 4.273 0 40 FIAB CCSc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72217130 XOZOKTONYMTDNQ-KRWDZBQOSA-N 362.520 4.028 0 40 FIAB CC(C)n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2cc(Cl)cc(Cl)c21 72406014 PFAGWWURYKYCTP-MRXNPFEDSA-N 365.220 4.001 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2Cc2ccnn2C)n1 72372459 BJSAEERPPZMOHT-JOCHJYFZSA-N 364.468 4.191 0 40 FIAB Cn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72358134 ZLXFESXDJLPAFF-HXUWFJFHSA-N 366.896 4.396 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c(N)cc2Cl)cc1 72229585 XMNBVLTYACSRCO-UHFFFAOYSA-N 373.884 4.419 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccccc1C 219289763 MKWADVXRZCRPRC-MAUKXSAKSA-N 369.461 4.190 0 40 FIAB CCOc1cccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)c1 40478408 OBEXYMVKNCSBDR-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 223242542 WKMNTAMTQPJABT-LBPRGKRZSA-N 355.862 4.222 0 40 FIAB COc1ccc(-c2nnsc2C(=O)OCc2ccc(Cl)cc2)cc1 223838414 DCQWRYRSRVWGDU-UHFFFAOYSA-N 360.822 4.224 0 40 FIAB Cc1cc(C)cc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225021309 RARNUBIHBCDQCO-UHFFFAOYSA-N 372.515 4.089 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccc(OC)cc2)cc1 222892450 SNZPHXHRJLOOJJ-NRFANRHFSA-N 355.478 4.164 0 40 FIAB Cc1cc(C)c(OC(=O)CCc2nc(Cc3ccccc3)no2)c(C)c1 40129096 VJKMODCLNAPMET-UHFFFAOYSA-N 350.418 4.124 0 40 FIAB CCO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCCC2)cc1)C1CC1 225724031 VJLSWKRLJOQDJP-QFIPXVFZSA-N 374.525 4.085 0 40 FIAB COc1ccc(OCc2cc(C(=O)N3CCCCCC3)ccc2OC)cc1 224269231 PPVMBQGJIULFCZ-UHFFFAOYSA-N 369.461 4.299 0 40 FIAB Cc1cc(NC(=S)NCc2ccccc2F)ccc1Br 225835430 DXGOIOVSRFRXDP-UHFFFAOYSA-N 353.260 4.383 0 40 FIAB CC(C)(C)OC(=O)N1CCC(CC(=O)O)(c2cccc(Cl)c2)CC1 95483699 AZWWQWVGDHILFO-UHFFFAOYSA-N 353.846 4.083 0 40 FIAB Cc1nc2ccc(Cl)cn2c1CN[C@@H](CCN(C)C)c1ccccc1 19715706 AWQUQSWBYHADRD-SFHVURJKSA-N 356.901 4.079 0 40 FIAB CCCCN(CC)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1C 96037623 AAOUQRUPUGDJPR-UHFFFAOYSA-N 362.477 4.411 0 40 FIAB O=C(Cc1cccs1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257302116 SBPPXEWCBMMDTA-SFHVURJKSA-N 370.449 4.372 0 40 FIAB Cc1ccccc1-c1nc(C)c(C(=O)N2CC[C@]3(CCCOC3)C2)s1 606443326 HWVZZBSSASPYKE-HXUWFJFHSA-N 356.491 4.070 0 40 FIAB CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(O)c(C(C)C)c1 1776368616 YNSMQJJRZNRQDE-IBGZPJMESA-N 369.461 4.065 0 40 FIAB Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc4[nH]ccc4c3)CC2)cc1 585270567 MMKRAYXLKFCCJH-QHCPKHFHSA-N 364.489 4.272 0 40 FIAB CC(C)[C@H](C(=O)NCc1nc2ccccc2n1C)c1ccc(Cl)cc1 49600843 KMCJBSDFPBOKLY-IBGZPJMESA-N 355.869 4.283 0 40 FIAB CCc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(OC)cc1)=N2 5444943 WVMSUJKUYQYYRT-UHFFFAOYSA-N 356.429 4.087 0 40 FIAB Cc1cc(C)c(NC(=O)CCCNC(=O)c2ccsc2)c(Cl)c1 12991533 UUGNXSNXJDNPKE-UHFFFAOYSA-N 350.871 4.167 0 40 FIAB O=C(Nc1ccc(NC(=O)c2cccnc2Cl)cc1)c1cccs1 14258413 KRTVHKQXIVFHPY-UHFFFAOYSA-N 357.822 4.301 0 40 FIAB C/C(=C\c1ccccc1)CN1CCc2nc([C@@H]3CCCCN3C)ncc2C1 19014420 BBTSNGLGZUNIKA-RRXSNJIPSA-N 362.521 4.095 0 40 FIAB C[C@H](CCN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 19455678 PJJFJMCYGGLNNR-XMSQKQJNSA-N 364.537 4.185 0 40 FIAB Cc1nc2c(C)cccn2c1CN1CCC(Oc2ccccc2F)CC1 19658984 DKXIERMRGJQERE-UHFFFAOYSA-N 353.441 4.134 0 40 FIAB Cc1cc(-c2cncnc2)cc(C2CCN(Cc3ccc(F)cc3)CC2)n1 19691943 WSXKYLOOJPBKCC-UHFFFAOYSA-N 362.452 4.366 0 40 FIAB COc1cc(NC(=O)c2cccc(C)c2)ccc1-c1ccc(C(=O)O)o1 226356472 UOSMNLLGNBQPRZ-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB COc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1Br 226367808 SHUSNZPMKYPYHV-UHFFFAOYSA-N 372.218 4.222 0 40 FIAB Fc1ccc(-n2nnc3c(SCc4ccc(Cl)cc4)ncnc32)cc1 4166707 DSDJXKCQPRBUDI-UHFFFAOYSA-N 371.828 4.295 0 40 FIAB CC(C)c1ccc(NC(=O)CCCn2nc(-c3ccco3)ccc2=O)cc1 13698453 YANPJHAAOHHFQT-UHFFFAOYSA-N 365.433 4.046 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccc2ncsc2c1 1775967315 LVGXFHLDLCPNHE-ZDUSSCGKSA-N 370.455 4.081 0 40 FIAB COc1cccc2cc(C(=O)N3CCS[C@H](c4ccco4)CC3)oc12 207004935 KEGFYAROJUTDTE-KRWDZBQOSA-N 357.431 4.355 0 40 FIAB CC(C)(C)C(=O)/N=c1/c2c3c(sc2nc2n1CCCCC2)CCCC3 101720499 LOGYRBGMZMRCQD-XLNRJJMWSA-N 357.523 4.176 0 40 FIAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC1CCCCC1 801927 HKCHBDVVWYRXIB-UHFFFAOYSA-N 350.484 4.490 0 40 FIAB CCOc1ccc2nc3sc(C(=O)N4CCCC[C@H]4C)c(N)c3cc2c1 917100 PUBBHROLJYTGQG-GFCCVEGCSA-N 369.490 4.445 0 40 FIAB Clc1ccc(CSc2ncc(Br)c(N3CC3)n2)cc1 1681812 BEDHDKYWIYFSPP-UHFFFAOYSA-N 356.676 4.005 0 40 FIAB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1Cl 2559170 ARNKONOSMZFURP-UHFFFAOYSA-N 371.668 4.363 0 40 FIAB Cc1c(C(=O)NCc2cccs2)oc2ccc(Br)cc12 3380077 NTTLBRHHNLAXFE-UHFFFAOYSA-N 350.237 4.495 0 40 FIAB CSc1nc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2s1 3407422 AHBQFFYWWHWCAO-UHFFFAOYSA-N 358.444 4.042 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21 3655979 GEYZNZBZJHDFSY-IYBDPMFKSA-N 364.445 4.255 0 40 FIAB CSc1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 4000148 RLRILLMTQDEUPP-LEQVUBRHSA-N 364.514 4.354 0 40 FIAB biogenic CCC(=O)Nc1ccc(C(=O)COC(=O)c2oc3ccccc3c2C)cc1 4462895 NPPOKFDHQFUQJE-UHFFFAOYSA-N 365.385 4.129 0 40 FIAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1cc(C)on1 4849441 WPVDSDDAYGSXRT-UHFFFAOYSA-N 355.463 4.441 0 40 FIAB O=c1nc2n(c3ccccc13)CC/C2=C\c1cccc(Br)c1 5483984 RAMUJIVYQKNPLQ-JLHYYAGUSA-N 353.219 4.103 0 40 FIAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NCCC1=CCCCC1 5554920 PULWHGZIFPMBBJ-XLIONFOSSA-N 370.518 4.042 0 40 FIAB O=C(COC(=O)COc1cccc(Cl)c1)Nc1cccc2ccccc12 5802336 NNKSCXQEJWFXPS-UHFFFAOYSA-N 369.804 4.054 0 40 FIAB O=C(Nc1cccc2ncccc12)[C@H]1CC(c2ccc(Cl)cc2)=NO1 6760012 WIGUSOCTDMXRAD-GOSISDBHSA-N 351.793 4.020 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2ccc(-c3ccccn3)nn2)c(C)c1 6859344 KVANZBUHOCSXBC-UHFFFAOYSA-N 364.474 4.195 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2)c(F)c1 7275106 RLHJJODJOKVCCG-UHFFFAOYSA-N 358.438 4.017 0 40 FIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(Cl)cc1 7720372 JGEYZCJGEQIFFE-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nc2ccccc21 7901319 LJLZJTWIOJKYSO-HNNXBMFYSA-N 353.491 4.368 0 40 FIAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCCOc1cccc(Cl)c1 7975667 PARPDLHTBMMUGE-UHFFFAOYSA-N 367.854 4.213 0 40 FIAB O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)nc1-c1cccnc1 8231785 FKZUXWJBEQQEMK-UHFFFAOYSA-N 374.488 4.446 0 40 FIAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2o1 8240448 PXLOICHELPKQJT-HNNXBMFYSA-N 362.429 4.046 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8407044 SCLFURNPAUTCHZ-QGZVFWFLSA-N 357.837 4.479 0 40 FIAB CC(C)(C)c1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 8706362 FJTLFKYSRCGYRB-UHFFFAOYSA-N 357.266 4.369 0 40 FIAB NC(=O)[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 8983170 SXHGMWIGSNOUCW-LLVKDONJSA-N 364.751 4.212 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(F)c(F)c1F 9364430 UCJTZOUEHAWLQQ-INIZCTEOSA-N 360.335 4.007 0 40 FIAB Cc1nsc(-c2ccc(Sc3ccc(Br)cc3)nn2)n1 9498991 XGIYABBGWBLZKI-UHFFFAOYSA-N 365.281 4.217 0 40 FIAB COc1cc2c(cc1-c1csc(NCc3ccc(F)cc3)n1)C(=O)CO2 9690816 UMZAAGSNIIQVGF-UHFFFAOYSA-N 370.405 4.145 0 40 FIAB CSc1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 9954627 UUXIXRHRBVOXCN-UHFFFAOYSA-N 362.505 4.030 0 40 FIAB C[C@@H](NC(=O)NCc1ccccc1CN(C)C)c1cc2ccccc2o1 10466178 NIKUKJRCBWLEOB-OAHLLOKOSA-N 351.450 4.055 0 40 FIAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2ccc3nncn3n2)c1 11694572 OJKGCQKWXXHSFX-UHFFFAOYSA-N 364.796 4.089 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(Cc3cccs3)nn12 12391156 QAAUDYLCJRJGBS-UHFFFAOYSA-N 362.867 4.167 0 40 FIAB Cc1nc(-c2cccc(NC(=O)Cn3c(C)nc4ccccc43)c2)cs1 12520514 MTPOCKHLKRYMCI-UHFFFAOYSA-N 362.458 4.415 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1 12600832 HMJMEJBDWAXIPD-AWEZNQCLSA-N 370.522 4.020 0 40 FIAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)s1 12816625 GVDRPQRRMMFQCS-UHFFFAOYSA-N 370.455 4.261 0 40 FIAB CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O 12975003 VMVIZBGZTKYSFR-RDJZCZTQSA-N 368.477 4.113 0 40 FIAB Cc1ccc(CNC(=O)c2cccc(OCc3csc(C)n3)c2)cc1 12987423 ZSKGJCRQLGYGQB-UHFFFAOYSA-N 352.459 4.269 0 40 FIAB CC[C@H](NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1)c1ccc(C)cc1 13002541 VGFSFYLZKDRJLY-FCHUYYIVSA-N 366.505 4.408 0 40 FIAB Cc1sc(NC(=O)c2ccccc2)c(CN2C[C@H](C)O[C@H](C)C2)c1C 13059224 ZJNRPIARPYQOCU-OKILXGFUSA-N 358.507 4.226 0 40 FIAB Cn1cccc1Cc1nnc(SCc2c(Cl)cccc2Cl)n1C 14111501 UCMDHLZJOMGANB-UHFFFAOYSA-N 367.305 4.344 0 40 FIAB CCn1c(Cc2cccn2C)nnc1SCc1c(F)cccc1Cl 14111821 FVWQPWQNMPJBLI-UHFFFAOYSA-N 364.877 4.312 0 40 FIAB CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccs1 15364375 NLNIYJJDHZALLU-AWEZNQCLSA-N 363.426 4.443 0 40 FIAB CC(C)c1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1 15841796 VEJRODXTYSMYQE-UHFFFAOYSA-N 352.459 4.110 0 40 FIAB Clc1ccc(OCc2cc([C@H]3CCN(Cc4ccccn4)C3)n[nH]2)cc1 19696181 YYIIPVDYYSHQJV-HNNXBMFYSA-N 368.868 4.027 0 40 FIAB Cc1ccnn1[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 19716704 SISYPCBMZCPHLS-HNNXBMFYSA-N 353.397 4.109 0 40 FIAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)c1 20460053 PVUGZZNBVIWBNL-INIZCTEOSA-N 358.441 4.294 0 40 FIAB CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 22075839 CXELMSXFMNJUDG-UHFFFAOYSA-N 364.892 4.490 0 40 FIAB CCOc1ccc2nc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)sc2c1 22890487 NYWXWUDBBSNQON-MRXNPFEDSA-N 374.506 4.397 0 40 FIAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(Cc3ccccc3)CC2)cc1 23379504 MLZHFCMDRUWFBI-SDNWHVSQSA-N 362.517 4.342 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc(Br)ccc2Cl)cc1 23603263 NCFUHZUFSJMTEF-UHFFFAOYSA-N 368.658 4.383 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)c1 23952624 FPTBNMGQBJGTIR-OAHLLOKOSA-N 371.477 4.258 0 40 FIAB C[C@H](N[C@@H](C)c1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12 26983654 VYZIFOCSZBHJBG-STQMWFEESA-N 355.388 4.191 0 40 FIAB CC(=O)Nc1c(-c2cccc3ccccc23)c(=O)c(C)nn1-c1ccccc1 27666367 VJOVLKMURCRZEA-UHFFFAOYSA-N 369.424 4.320 0 40 FIAB COc1ccccc1[C@H](C)N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 30524455 VKWDHUORXONJLD-LBPRGKRZSA-N 373.396 4.096 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1OC 30754673 HENJRDMAKLLXAW-JKSUJKDBSA-N 373.518 4.322 0 40 FIAB CN(Cc1nccn1C(F)F)C(=O)C1c2ccccc2Oc2ccccc21 31151753 ONZBSTYRCPCHGV-UHFFFAOYSA-N 369.371 4.174 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@H]1C(=O)Nc2ccc(C)cc21 36359244 GABVZHDBTABAEG-INIZCTEOSA-N 366.442 4.231 0 40 FIAB COC(=O)c1cc(-c2cccc(OC)c2)nc2onc(-c3ccccc3)c12 36617337 FUBAHXZKTGPGII-UHFFFAOYSA-N 360.369 4.352 0 40 FIAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1Cl 36635863 LHICTWHDJICCIU-LBPRGKRZSA-N 369.635 4.391 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCc2ccccc2Cl)cc1OC 38753481 LRVVPUDEXMXNGS-GFCCVEGCSA-N 365.882 4.154 0 40 FIAB COc1ccccc1NC(=O)CCSc1nccn1-c1cccc(C)c1 40049934 ZEVILCBTYSFTTC-UHFFFAOYSA-N 367.474 4.310 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccccc2F)c(OC)c1 40268205 GRXROKOCDPKUKQ-CQSZACIVSA-N 367.380 4.152 0 40 FIAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(F)c1 41089898 JNGVGGHUAVRUIW-UHFFFAOYSA-N 353.397 4.111 0 40 FIAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC(c2ccc(O)cc2)CC1 47074127 REXGXJGQMAVUTJ-UHFFFAOYSA-N 366.392 4.206 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c1 47716392 UTSRYVOWIUAMGM-QAPCUYQASA-N 361.486 4.142 0 40 FIAB Cc1ccccc1-n1cc(-c2ccnc(N[C@H](C)Cc3cccnc3)n2)cn1 48501591 TURSUBHDHFLIGQ-QGZVFWFLSA-N 370.460 4.076 0 40 FIAB Fc1ccc(Cn2cc(-c3cnn(Cc4ccc(F)cc4)c3)cn2)cc1 49581199 VVUPDHSXYWLFNW-UHFFFAOYSA-N 350.372 4.121 0 40 FIAB CCOc1ccccc1-c1nnc(SCc2nc3ccccc3n2C)o1 58195006 UGSVOSOOGNSGMY-UHFFFAOYSA-N 366.446 4.314 0 40 FIAB C[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@H]1CCCO1 58411737 SWSIOXMLPAONMW-YCRPNKLZSA-N 366.436 4.126 0 40 FIAB CC(C)Sc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72217521 UWWQETVVGUKIQR-UHFFFAOYSA-N 352.500 4.460 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 84636457 BVVHQVAIPJCIOO-NWDGAFQWSA-N 372.918 4.167 0 40 FIAB CC[C@@H]1C[C@@H](C(=O)N2CCCc3cc(C)c(Br)cc32)CCO1 96002134 RTNRLUZSFPUCHK-LSDHHAIUSA-N 366.299 4.242 0 40 FIAB Fc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3F)c[nH]2)cc1 96296177 IIMCFWFPGXOALN-IBGZPJMESA-N 373.378 4.068 0 40 FIAB biogenic,in-vitro Cc1ccc(C2=C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 100834892 BOOUSOJTSDDNTP-QGZVFWFLSA-N 367.250 4.405 0 40 FIAB Cc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccccc3O)CC2=Nc2ncnn21 102600910 ORCRHUHORQBNJY-SPLOXXLWSA-N 372.428 4.357 0 40 FIAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 223853381 DKCAIVMMWRUMMY-INIZCTEOSA-N 373.324 4.427 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(Cl)cc1 224283870 NGLQCJVYJDTELK-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 224976312 HDEOZZDZCQDVOI-GFCCVEGCSA-N 359.297 4.037 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccccc2Cl)s1 224979739 ZYMZHACJDKMPPU-VIFPVBQESA-N 357.888 4.098 0 40 FIAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1)C1CC1 225674653 MOKYKKFRRJNELL-DJJJIMSYSA-N 369.889 4.288 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCC(Oc2cccc3cccnc23)CC1 225705133 BMJRECIZNAWTLS-VAWYXSNFSA-N 358.441 4.318 0 40 FIAB Cc1cc2c(cc1/C=C1/SC(=O)N(CC3CCCCC3)C1=O)OCO2 409138917 JWEXYEWNMFMXBD-RQZCQDPDSA-N 359.447 4.340 0 40 FIAB C[C@@](CO)(CNC(=O)c1cc(Cl)c(F)cc1Cl)Cc1ccccc1 506221510 USLZGWHFYHUISQ-SFHVURJKSA-N 370.251 4.104 0 40 FIAB O=C(NCCc1cccc(O)c1)N1CC=C(c2cccc3ccccc23)C1 544663670 DZYAFYJCRADRCL-UHFFFAOYSA-N 358.441 4.197 0 40 FIAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@H](n2cnc3ccccc32)C1 575617390 OVDBNAYKXIRLPH-HNNXBMFYSA-N 364.836 4.258 0 40 FIAB Cc1cc(N2CCC(NCc3ccc(C4CCC4)cc3)CC2)nc(C)n1 585085830 AUNGCNRPOSBTOD-UHFFFAOYSA-N 350.510 4.120 0 40 FIAB C=CC(=O)N1CCC[C@@H](c2cc3ccccc3c(Nc3nccs3)n2)C1 585290550 CKCOERLRNGCQBN-OAHLLOKOSA-N 364.474 4.327 0 40 FIAB COC(=O)[C@@](C)(CCF)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 598282475 AEQZQFRRDKODRU-HXUWFJFHSA-N 361.413 4.091 0 40 FIAB CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCCC3(CCCC3)CC1)CC2 664738348 DLMCDBXLTPDMND-SFHVURJKSA-N 358.530 4.077 0 40 FIAB CC1(C)C[C@]1(NC(=O)NC1CCC(OC(F)F)CC1)c1ccccc1 665057109 JNMMFNSQLPUPNF-ZOJXTTQQSA-N 352.425 4.161 0 40 FIAB Cc1nn(C)c(C)c1CNC(=O)N[C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 678950757 VAURWXIAIMHNJG-DNVCBOLYSA-N 366.509 4.136 0 40 FIAB CCOC(=O)c1c(NC(=O)CCOc2ccccc2)sc2c1CCCC2 633640 WUQHRTPVOJXBLX-UHFFFAOYSA-N 373.474 4.211 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2ccccc2)s1 848399 CHGCCDFUJRNWND-UHFFFAOYSA-N 358.850 4.405 0 40 FIAB COc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1 1369518 LBKAFRCZEKPWHV-ROUUACIJSA-N 361.555 4.023 0 40 FIAB CCn1nc(NC(=O)c2ccccc2OC)c2cc3cc(C)ccc3nc21 2198665 URPLREFGGLRGPY-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB COc1ccc2c(CCNC(=O)c3ccc(Cl)cc3Cl)c[nH]c2c1 2239525 KGVRTSCPJUKDSO-UHFFFAOYSA-N 363.244 4.456 0 40 FIAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)coc2c1 2418295 LMOATXHMHJIGGK-UHFFFAOYSA-N 367.401 4.309 0 40 FIAB biogenic C[C@@H]1CCc2c(sc3ncnc(Sc4nnc5ccccn45)c23)C1 2630430 BTHCWCKPKODPIE-SNVBAGLBSA-N 353.476 4.010 0 40 FIAB COC(=O)c1ccc(CSc2nnc(Nc3ccc(C)cc3)s2)o1 2643377 FYTUBQLVXXMYPB-UHFFFAOYSA-N 361.448 4.262 0 40 FIAB COc1ccc2nc(NC(=O)CCCOc3ccccc3C)sc2c1 2886762 CUNKNDGDNUUPEE-UHFFFAOYSA-N 356.447 4.411 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3217258 MMRQHNLADFAJOP-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(F)cc1 3231347 IUFOIWOCGBENJR-UHFFFAOYSA-N 368.393 4.088 0 40 FIAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1CCCCC1 3265760 QIDXCHAQOHAWPX-UHFFFAOYSA-N 355.507 4.220 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1 3505873 VEDMOTJFLCCCPB-UHFFFAOYSA-N 350.443 4.477 0 40 FIAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 4231037 UFWRWOLLLKZJFO-UHFFFAOYSA-N 362.473 4.392 0 40 FIAB COc1cccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)c1 4615152 OKKGDXHRWCJRIM-UHFFFAOYSA-N 368.502 4.494 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1cc2c(cc1Cl)OCO2 4714093 IKGDQCCIKQIBMT-ACAGNQJTSA-N 362.168 4.067 0 40 FIAB Cc1ccc(-n2c(S[C@H](C)C(=O)NC3CC3)nc3ccccc32)cc1 4829698 QFJCQPGQIQXODN-CQSZACIVSA-N 351.475 4.093 0 40 FIAB C[C@H](Oc1cc(-c2ccccc2)cc2ccccc12)C(=O)N1CCOCC1 5023204 TZDNPXUAVMQAFV-KRWDZBQOSA-N 361.441 4.133 0 40 FIAB Cc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCC2)cc1 5451433 QVSPZRKOSQVEPS-RFAWQRTRSA-N 374.484 4.243 0 40 FIAB COc1ccc(C2=NN=C(c3ccccc3)Nc3ccc(OC)cc32)cc1 5959395 LGSLIVMIHMNQNA-UHFFFAOYSA-N 357.413 4.329 0 40 FIAB COc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 6231732 JOUSSLNFMXVMJK-UHFFFAOYSA-N 363.413 4.292 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Br)cc2)c1 6440993 YHJVPGZMIUOHEO-UHFFFAOYSA-N 368.614 4.141 0 40 FIAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccccc1Br 7878486 LGTOPUBDMIVNLP-LLVKDONJSA-N 365.296 4.068 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)ccc2C)CC1=O 7928179 NLJQXPZLKUWONF-LJQANCHMSA-N 364.489 4.420 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc34)c2)cs1 7988826 PBNBSGFBZSHYJI-UHFFFAOYSA-N 361.426 4.212 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3cc(C)nc4ccccc34)c2c1 8765505 NPMPIYVEKKJSBM-UHFFFAOYSA-N 359.429 4.006 0 40 FIAB biogenic O=C(COc1ccc2ccccc2c1)N1CCc2[nH]c3ccccc3c2C1 9900121 NAGLSVMQXIYDLD-UHFFFAOYSA-N 356.425 4.285 0 40 FIAB COc1ccc([C@H](NC(=O)CN2CCc3sccc3[C@H]2C)C(C)C)cc1 10227234 GEVFUEGOLHSNEB-QVKFZJNVSA-N 372.534 4.189 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 10448326 XTBAMJFJRRDLLI-LLVKDONJSA-N 358.392 4.090 0 40 FIAB O=C(COc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 11999850 CCKILAOVEQKCRY-UHFFFAOYSA-N 370.836 4.266 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(F)cc1 12226086 IFYLEYKRXZDMES-UHFFFAOYSA-N 366.314 4.445 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12549958 LCQKOLOGYGQZDI-HNNXBMFYSA-N 369.852 4.090 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cc(F)cc(F)c1 12802796 NJAZJZLXNVZQIZ-LLVKDONJSA-N 361.417 4.206 0 40 FIAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccccc1F 12929374 ZKSDPGXYQXKWAC-UHFFFAOYSA-N 350.796 4.221 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)Cc1ccccc1Cl 12932245 WBMXCDPWENJNED-UHFFFAOYSA-N 356.857 4.246 0 40 FIAB O=C([C@@H]1Cc2ccccc2O1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 13006881 JCQCZEAYQGGPRS-GGAORHGYSA-N 355.437 4.164 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 14141534 HNYCAMVWNLTRLN-LBPRGKRZSA-N 360.335 4.159 0 40 FIAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(-n4cnnn4)cc3)sc2c1 15835148 NFTJTNJZBNZMSG-UHFFFAOYSA-N 369.837 4.091 0 40 FIAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC[C@@H](C)C3)c(O)n2n1 16690040 RLVVRAFICHNSJZ-WBMJQRKESA-N 374.485 4.019 0 40 FIAB Cc1nc([C@H]2CCCCN2C2CCCCC2)ncc1C(=O)N1CCCCC1 19765738 OHYQRKXRAWIOEZ-HXUWFJFHSA-N 370.541 4.271 0 40 FIAB c1cc2c(cc1[C@@H]1O[C@H]3CCCC[C@@H]3c3cc4c(cc31)OCO4)OCO2 20436608 WDHGTNCMVJMBMN-QTPGKHNVSA-N 352.386 4.290 0 40 FIAB O=S(=O)(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cccs1 22608985 FHEBENQSNDTNLX-UHFFFAOYSA-N 371.789 4.143 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 26686310 XIWDWYSGWXQUJG-LRDNONRASA-N 356.466 4.425 0 40 FIAB CC(C)N(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)C1CC1 26942504 XDWYCSXHKALBFI-UHFFFAOYSA-N 366.509 4.341 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCn2c1nc1ccccc12 29377079 HVNRZJATAJUHMI-GFCCVEGCSA-N 357.866 4.217 0 40 FIAB CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 32913898 YZYBIFVAICXELL-CYBMUJFWSA-N 359.857 4.361 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1[nH]c2ccccc2c1Br 32932497 NKIQTBNYVMXRLB-UHFFFAOYSA-N 351.150 4.461 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccc(C(F)(F)F)c1 33024238 FGWBOEUZSTWBSI-INIZCTEOSA-N 366.383 4.255 0 40 FIAB Cc1cc(OCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 34776858 SVXLLCKJKRYATC-UHFFFAOYSA-N 364.378 4.237 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cn2)n1 36396843 WYGLYQSYYGVDMT-UHFFFAOYSA-N 361.232 4.443 0 40 FIAB Cc1ccc(-c2nn(CC(=O)NC3CC3)c(-c3ccc(C)cc3)c2C)cc1 36611653 UCTGEAZXZYTKCL-UHFFFAOYSA-N 359.473 4.421 0 40 FIAB Cc1nnsc1C(=O)Nc1nc2c(s1)-c1cccc3cccc-2c13 36646311 VJQSVRKKPVHNMA-UHFFFAOYSA-N 350.428 4.356 0 40 FIAB Cc1cccc(C)c1OCCSc1nnc(-c2ccccc2F)n1C 36807145 RBRYMDCITCJETQ-UHFFFAOYSA-N 357.454 4.409 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N(C)Cc1ccc(SC)cc1 40103994 GAFBEFKAQGWNHP-UHFFFAOYSA-N 373.478 4.039 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CCC[C@H](C(F)(F)F)C1 40142085 KFPZRLHAEJZEPI-HIFRSBDPSA-N 370.415 4.388 0 40 FIAB COc1ccccc1NC(=O)CCSc1ncnc2sc(C)c(C)c12 40268623 VKBSWCHMIXIQQZ-UHFFFAOYSA-N 373.503 4.438 0 40 FIAB CCSc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 40446696 COWJQUYMWQBYAG-UHFFFAOYSA-N 372.309 4.362 0 40 FIAB O=C(Nc1nccs1)c1nc(-c2ccccc2)oc1N1CCCCC1 41154843 RFTBOQBSGUKOFW-UHFFFAOYSA-N 354.435 4.041 0 40 FIAB CSc1nccn1-c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 44487309 MZQIVQITERJNBA-UHFFFAOYSA-N 356.476 4.180 0 40 FIAB CCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078837 RJMWJDHINBDXAA-UHFFFAOYSA-N 370.880 4.463 0 40 FIAB Cc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c(F)c1 47337927 VKBMKYMGTXZFIT-UHFFFAOYSA-N 359.420 4.059 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3ccc(-c4cnco4)cc3)c2)n1 47625480 CGHKJNZNXDDEPD-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB Cc1cc(NC(=O)NCCc2cccs2)ccc1NC(=O)c1ccco1 58018283 OKPRMKIUIBADCY-UHFFFAOYSA-N 369.446 4.266 0 40 FIAB O=C(O)c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)ccc1Cl 65553594 JKKDYJVTTUXDNL-BQYQJAHWSA-N 372.229 4.104 0 40 FIAB COC(=O)Nc1cc(NC(=O)NCc2cc3ccccc3o2)ccc1F 67321492 MTHJGRGUYIGQTL-UHFFFAOYSA-N 357.341 4.072 0 40 FIAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)N[C@H](C)c2ccncc2)CC1 67921402 GLJCTSJQLAGRFD-OAHLLOKOSA-N 360.461 4.431 0 40 FIAB CCOc1ccc(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)cc1 72329502 VTYKVQZADKBJRP-UHFFFAOYSA-N 368.408 4.020 0 40 FIAB O=C1CC2(CCN(c3cnccn3)CC2)c2ccccc2N1c1ccccc1 96080275 QQTDRJFUYRDGAU-UHFFFAOYSA-N 370.456 4.083 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@H]1C[C@@H]1C[C@@H]2CC[C@@H]1C2 100713632 KUQSARIONLCSRO-NCOADZHNSA-N 366.461 4.066 0 40 FIAB CNc1c(NC(=O)Nc2ccc(F)c(Cl)c2)c(=O)oc2ccccc12 101094962 KEVXRQPLAJZCAY-UHFFFAOYSA-N 361.760 4.271 0 40 FIAB Cc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1Oc1ccncc1 115386183 VNDJCIPZNDJASR-IBGZPJMESA-N 362.433 4.273 0 40 FIAB CC(C)Oc1ccccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584581 RVVSIUFNBHNXLG-JVPBZIDWSA-N 353.491 4.458 0 40 FIAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc(F)cc1F 222965182 IOQBKEAFGKQJBP-VIFPVBQESA-N 352.178 4.319 0 40 FIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1C 223963391 IKWUAXHVXNTCRG-GOSISDBHSA-N 369.461 4.435 0 40 FIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1 224333521 VVTZWFAMYQXDDB-QGZVFWFLSA-N 354.469 4.030 0 40 FIAB Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1C 225229716 QOXSVRBJXDIIJH-UHFFFAOYSA-N 359.564 4.316 0 40 FIAB CCOC(=O)c1cc(NC(=O)c2ccc(OCC)c(C)c2)ccc1Cl 225619539 YCBOATRLXJDSES-UHFFFAOYSA-N 361.825 4.476 0 40 FIAB COc1ccc(CCCNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225665963 CSNWJPIKFOVLEE-UHFFFAOYSA-N 355.478 4.498 0 40 FIAB Cc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)c1 306123335 AKLYWWGRPBWFGZ-NRFANRHFSA-N 365.502 4.095 0 40 FIAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccs2)S1 408803043 KQEGISWSPKZQDM-UHFFFAOYSA-N 351.860 4.173 0 40 FIAB CCOc1ccccc1N=c1[nH]c2c(s1)CCc1cc(OC)ccc1-2 408890217 PTXZEABKEGXWQN-UHFFFAOYSA-N 352.459 4.482 0 40 FIAB CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc1 518457332 QWLOVMMBTBPIFU-HNNXBMFYSA-N 361.445 4.462 0 40 FIAB C[C@@]1(CNC(=O)c2ccsc2C(F)(F)F)OCCc2sccc21 529405258 ZUFDMXTVIZBNBA-AWEZNQCLSA-N 361.410 4.046 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1c(F)cccc1Cl 585147946 JVWYDCGEGKWVPA-MRXNPFEDSA-N 359.784 4.203 0 40 FIAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cc(-c2cccs2)[nH]n1 585149445 SMTHODMUURYFPW-QGZVFWFLSA-N 373.503 4.097 0 40 FIAB COc1cc(C)c(NC(=O)C[C@@H](c2ccccc2)c2ncc[nH]2)cc1F 1556243736 FDYZGPQYBYOLTD-HNNXBMFYSA-N 353.397 4.027 0 40 FIAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc2c(c1)OCCO2 803480 FJVRYUXTEVGGQI-UHFFFAOYSA-N 357.715 4.382 0 40 FIAB COc1ccc2nc(SCC(=O)N3CCc4ccccc43)c(C)cc2c1 933001 GEPRCJXWXIGOIP-UHFFFAOYSA-N 364.470 4.233 0 40 FIAB O=C(Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CCC2)c1ccco1 1036082 CRNVTBRLCWPBHE-UHFFFAOYSA-N 371.392 4.427 0 40 FIAB CCCCOC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 2054770 UGCOQLKJLIKWCT-UHFFFAOYSA-N 361.250 4.479 0 40 FIAB Cc1nc2oc3c(N4CCC(C)CC4)ncnc3c2c2c1COC(C)(C)C2 2213969 PXLBGMVSLAZGAW-UHFFFAOYSA-N 366.465 4.167 0 40 FIAB CCCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 2245956 VUKNETPRIRGQIA-UHFFFAOYSA-N 365.481 4.029 0 40 FIAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1C 2278036 ACHSLBXFMKIAJI-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1 2406269 RJJVVEZXWHAYPD-UHFFFAOYSA-N 353.378 4.246 0 40 FIAB Cc1sc2ncnc(N3CCN(c4ccccc4Cl)CC3)c2c1C 2412535 UTKVUNPDIZBVOW-UHFFFAOYSA-N 358.898 4.288 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccccc1 2444604 OFJSTQUNNXQZQR-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB CCCCCC(=O)N[C@H](Oc1ccc(OC)cc1)C(Cl)(Cl)Cl 2702009 DVGQUBALBDTDFF-CQSZACIVSA-N 368.688 4.467 0 40 FIAB COc1ccccc1CN(C)CC(=O)Nc1ccccc1-c1ccccc1 3457565 YZXSRKLIKSGENT-UHFFFAOYSA-N 360.457 4.433 0 40 FIAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccccc1F 3495638 YMNSSVAFUDADIP-JTQLQIEISA-N 372.450 4.202 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cc(OC)cc(OC)c3)n2)cc1 4071244 PZJSLINRBLBWST-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB Cc1ccccc1CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1 4120043 VYRXRAZPOFDDPO-UHFFFAOYSA-N 358.894 4.323 0 40 FIAB Cc1ccc(-c2nsc(SCC(=O)NCc3ccc(F)cc3)n2)cc1 4167376 KHPDLWILRAFLMI-UHFFFAOYSA-N 373.478 4.061 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 5393523 HLHKNHVDPAXXRJ-UHFFFAOYSA-N 359.857 4.093 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 6235910 LQPIUJVWTJNXAO-UHFFFAOYSA-N 355.434 4.231 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c1 6369248 HPJHSXLXXBDEBM-SFHVURJKSA-N 365.458 4.095 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)OCc1nnc(-c2ccccc2)o1 6611743 LWXINPKZDAQKAC-UHFFFAOYSA-N 362.307 4.041 0 40 FIAB Cc1cccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1 6612133 NZBOAVKMYSITMZ-UHFFFAOYSA-N 373.408 4.415 0 40 FIAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1 6640461 KMLYDJHLSWVKLG-UHFFFAOYSA-N 359.834 4.149 0 40 FIAB Cc1csc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1 6847087 UZNRPTJYKRYANV-LLVKDONJSA-N 363.533 4.373 0 40 FIAB O=C(COc1ccc2ccccc2c1)OCC(=O)c1ccc(Cl)s1 7707314 IWGJFGKSYWIQFQ-UHFFFAOYSA-N 360.818 4.360 0 40 FIAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)c1 8664949 QFHBEOLUSVQVBX-FQEVSTJZSA-N 368.392 4.246 0 40 FIAB Cc1ccccc1-n1ncc2c(O)nc(SCCc3ccccc3)nc21 9522315 SPTLKXVNPKOEJR-UHFFFAOYSA-N 362.458 4.164 0 40 FIAB O=C(O)c1cccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c1 10118794 SHNIIJJPMGJLAV-WSDLNYQXSA-N 354.793 4.422 0 40 FIAB O=S(=O)(Cc1cccc(Cl)c1)NCCCc1ccccc1Cl 10543241 PIDKEBOGLDJCLK-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB O=C(c1ccc(OC(F)F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10545051 SCPFSZIEQGPBGJ-AWEZNQCLSA-N 371.387 4.184 0 40 FIAB COc1ccc(NC(=O)[C@@H](Sc2ncccc2Cl)C(C)C)cc1 11252110 CAXUNUQSCDAHES-HNNXBMFYSA-N 350.871 4.499 0 40 FIAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(F)cc3)o2)cc1C 11258066 SVFGGEPTOCTMIY-UHFFFAOYSA-N 352.409 4.347 0 40 FIAB Cc1cccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)c1 12293629 ZGRXHWLZAYARJD-UHFFFAOYSA-N 372.468 4.244 0 40 FIAB Cc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1 12551494 RRHBXRJTFIOKMO-SFHVURJKSA-N 363.461 4.054 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2cccc3ccccc23)c1 12554863 MFLVVUVMAGLEMY-CQSZACIVSA-N 350.418 4.296 0 40 FIAB CCOc1cc2cc(C(=O)c3cc(F)ccc3O)cnc2cc1OCC 12612124 OOWJCXWKGOMYIC-UHFFFAOYSA-N 355.365 4.108 0 40 FIAB O=c1[nH]c(CN2CCc3sccc3[C@H]2C2CC2)nc2ccc(Cl)cc12 12795187 QJWCLNMOHXXDGT-GOSISDBHSA-N 371.893 4.147 0 40 FIAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)C1 12849173 AYQJPZAERJSSBD-GFCCVEGCSA-N 372.469 4.248 0 40 FIAB CCCSc1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)s1 14115079 AAOIDZZGTORZNF-VIFPVBQESA-N 364.521 4.130 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3cccs3)ns2)cc1C 15669649 MQOKVDBWFTVOJP-GFCCVEGCSA-N 359.476 4.289 0 40 FIAB COc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 15833266 FBSZVDOPEYATQX-ZDUSSCGKSA-N 374.506 4.320 0 40 FIAB Cn1c(-c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)nc2ccccc21 16382508 YANRFHZIACIEFM-UHFFFAOYSA-N 371.440 4.046 0 40 FIAB CN(C)CCN(Cc1ccncc1)Cc1ccc2c3ccccc3n(C)c2c1 19289890 KYNFZZLZBYJEFM-UHFFFAOYSA-N 372.516 4.290 0 40 FIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCc1ccccn1 21774055 RYEJQTPZYITMAI-UHFFFAOYSA-N 355.441 4.062 0 40 FIAB CC(C)n1ncc2cc(NC(=O)CSc3ccccc3Cl)cnc21 21901424 LUOUYYBFBVBXLH-UHFFFAOYSA-N 360.870 4.396 0 40 FIAB CN(Cc1nc(O)c2ccc(Cl)cc2n1)[C@@H]1CCCc2ccccc21 22024832 QWXXFEKREZJQMK-GOSISDBHSA-N 353.853 4.498 0 40 FIAB CN(CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21 22474537 NFESBHPUDKZABY-OAQYLSRUSA-N 362.473 4.072 0 40 FIAB CC(C)N1CCN(CCCCOC(=O)Nc2ccc(Cl)cc2)C[C@H]1C 22580913 FSKGPBHZGYLCBA-MRXNPFEDSA-N 367.921 4.083 0 40 FIAB CC(C)c1cc(C(=O)N(C)Cc2ccsc2)c2cnn(C(C)C)c2n1 23957772 OWGCPCZZFFFNBT-UHFFFAOYSA-N 356.495 4.469 0 40 FIAB CNc1nc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)nc2ccccc12 24599316 PWVMOBVLRFWLDQ-SNVBAGLBSA-N 359.401 4.313 0 40 FIAB COc1ccc(C(=O)C2CCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 25063861 WFDQUOMUSXCTEB-CQSZACIVSA-N 371.481 4.032 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 27664511 CWHHYTQFGKVKKI-FQEVSTJZSA-N 372.896 4.306 0 40 FIAB biogenic CCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 27938454 IEPQUNJCNCASEV-UHFFFAOYSA-N 351.250 4.193 0 40 FIAB Cc1c(C(=O)NCCCSc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2 31352979 ZJLAWFFTLFEEQF-UHFFFAOYSA-N 370.518 4.390 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1C(F)(F)F 32741332 QACJEPLRKDZWED-UHFFFAOYSA-N 373.378 4.438 0 40 FIAB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CCCC[C@@H]12 33428957 CJVGPIULFORXJU-FYYLOGMGSA-N 359.473 4.319 0 40 FIAB CC[C@H]1CCCCN1C(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C 36396540 DROLCUYBVAGJBM-WMZOPIPTSA-N 354.498 4.081 0 40 FIAB c1ccc(COc2cc(OCc3ccccc3)cc([C@H]3CNCCN3)c2)cc1 39934045 PTOZVTYHZYBFAI-XMMPIXPASA-N 374.484 4.079 0 40 FIAB O=C(c1cccc2[nH]ncc12)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 42041767 HBZJRCZJBZSBSY-UHFFFAOYSA-N 359.351 4.387 0 40 FIAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 47985535 BADSUIBBXYULLJ-GFCCVEGCSA-N 373.403 4.048 0 40 FIAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 57525467 NXWVQPBQURSMML-OAHLLOKOSA-N 369.461 4.027 0 40 FIAB Oc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 57610871 QFKXOYAVBVWQRO-KPSZGOFPSA-N 360.133 4.015 0 40 FIAB Fc1cc(CN2CCC(CN3CCCCCC3)CC2)c2ncccc2c1 57890558 JRMSAKUHSJXXGT-UHFFFAOYSA-N 355.501 4.462 0 40 FIAB O=C(Nc1ccccc1N1CCCCCC1)N1CCC[C@H](N2CCCC2)C1 57940715 RHTWNPZPZPSNGP-IBGZPJMESA-N 370.541 4.159 0 40 FIAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cccc3[nH]ncc23)s1 68907959 AZDYJCSNQVBUJZ-UHFFFAOYSA-N 351.431 4.368 0 40 FIAB CCCn1nc(C)cc1-c1nn2c(Cc3ccccc3Cl)nnc2s1 71288667 XZBNNWGVEUVCQM-UHFFFAOYSA-N 372.885 4.012 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]c1-c1cccs1 72329462 WAWZCPOZXJBKGL-UHFFFAOYSA-N 351.353 4.087 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c(F)c1 72406072 GNDLPBFYOZYBPV-CQSZACIVSA-N 357.410 4.264 0 40 FIAB Cc1ccc2nc(NC(=O)CN3CCC(c4cccs4)CC3)sc2c1 90609291 SIPZSQDQSRMIRB-UHFFFAOYSA-N 371.531 4.484 0 40 FIAB O=C(OCc1ccc(Oc2cccnc2)cc1)[C@@H]1COc2ccccc2C1 95350486 YNBNLERLPNEVEZ-SFHVURJKSA-N 361.397 4.168 0 40 FIAB CC(C)(C)c1ncc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cn1 95962272 QUTAFNDSJUDFFE-OAHLLOKOSA-N 370.522 4.420 0 40 FIAB CO[C@H](c1ccccc1F)[C@@H](C)NCc1cn(-c2ccccc2)nc1C 95989235 MNEPFHQATVXXPN-IERDGZPVSA-N 353.441 4.186 0 40 FIAB CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccccc1F 96005559 PQLZXGFDXMANST-CQSZACIVSA-N 365.449 4.079 0 40 FIAB c1ccc(Nc2ccc3nc(C4CCN(Cc5ccoc5)CC4)nn3c2)cc1 96038316 KRKVWGDKLZYOLD-UHFFFAOYSA-N 373.460 4.446 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CC=C(c2ccccc2)CC1 100675969 FQUUFKDIQXOEJZ-YUOVDFJASA-N 351.490 4.024 0 40 FIAB COC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)OC(C)(C)C)C2 167412135 PRZAATYTHSOJPG-UHFFFAOYSA-N 360.237 4.073 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(C)c2C)ccc1Cl 216315285 PBTLUIAHGQXJKH-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222701117 GKMCERFFFSNOAJ-CQSZACIVSA-N 374.481 4.226 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 222808349 RECKQXBVNQRXJM-RBUKOAKNSA-N 354.523 4.381 0 40 FIAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222936544 CCPZWKZOGSKUFR-AWEZNQCLSA-N 361.532 4.327 0 40 FIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccncc1 223483451 DQEGTSDBROCQQW-IRXDYDNUSA-N 366.515 4.019 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCOc2ccc3ccccc3c2)c(C)c1 223598855 VQHIKXZYUWFDNZ-UHFFFAOYSA-N 369.486 4.122 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224627083 OZSIVANFVSHSKZ-QFIPXVFZSA-N 366.505 4.065 0 40 FIAB CSc1ccccc1C(=O)NCc1cccc(CN2CCCCC2)c1 224647435 SRASFZPERFMENU-UHFFFAOYSA-N 354.519 4.324 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1CSc1ccccc1 224657937 NUQAPAKDCNNSJQ-OAHLLOKOSA-N 359.491 4.142 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)ccc1F 224913950 MOOKKNNYEDUNGK-RTBURBONSA-N 366.465 4.045 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225067958 MKRHVLUGLCWZEQ-UHFFFAOYSA-N 370.474 4.049 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225107927 UIXOZPNOBRVVNJ-KRWDZBQOSA-N 370.474 4.187 0 40 FIAB Cc1ccc(CN(c2ccccc2F)S(=O)(=O)c2ccc(N)cc2)cc1 225312267 KHEKOROBKCKHIZ-UHFFFAOYSA-N 370.449 4.112 0 40 FIAB COC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1 225367735 CRDAIQZKTDGSGM-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB CC(C)C(NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)C(C)C 225577039 JTBBIHYGHVYWDJ-UHFFFAOYSA-N 368.924 4.488 0 40 FIAB Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)CC(C)(C)O2 225608464 YYBULSIVUGYCSW-KRWDZBQOSA-N 363.454 4.023 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)N[C@@H](C)CC 225694550 DSAVLFQCUDHDJE-LRDDRELGSA-N 373.324 4.425 0 40 FIAB O=C(NCc1ccc(-c2cccnc2)nc1)c1ccc(Cl)c(Cl)c1 225765545 YRQSZYQGIKZYKP-UHFFFAOYSA-N 358.228 4.380 0 40 FIAB Cc1ccc(CNC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225827260 CIGPIAONIXDHQC-UHFFFAOYSA-N 371.440 4.447 0 40 FIAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccccc1Br 226261182 OBFTXUDMJNWIDT-UHFFFAOYSA-N 362.271 4.130 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccccc2Br)S1 260769302 LLQQAKWFFISTAV-HFBAOOFYSA-N 374.307 4.433 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-c2nnc(C)o2)cc1 266215775 QUXYVCNUFMPXCN-MRXNPFEDSA-N 353.447 4.256 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Br)c1 408705469 GNOCEWPCISDXHD-MRXNPFEDSA-N 364.239 4.254 0 40 FIAB O=C1NC(=O)/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)S1 409237126 JFHFRORIMPBKNN-YVLHZVERSA-N 352.390 4.153 0 40 FIAB Cc1c(NC(=O)N2CCCC[C@@H]2c2cc[nH]n2)cccc1-c1ncco1 567695102 AXYURGDCEPJVAM-QGZVFWFLSA-N 351.410 4.132 0 40 FIAB CC(C)[C@H]1N(C(=O)NCCc2cccc(C(F)(F)F)n2)CC12CC=CC2 645516858 SEZYZVKSMOCXRC-MRXNPFEDSA-N 367.415 4.029 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21)c1ncco1 1554042020 DPPLKEFXLHZQEZ-GXTWGEPZSA-N 368.462 4.172 0 40 FIAB O=S(=O)(NCc1cc(-c2ccoc2)cs1)c1ccc2c(c1)CCCC2 1775969646 DSWHTYFHAZIIDT-UHFFFAOYSA-N 373.499 4.365 0 40 FIAB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1cc(Cl)ccc1F 11885856 JZPOVGXVKNIXTJ-UHFFFAOYSA-N 368.865 4.061 0 40 FIAB C[C@@H]1CN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)c2ccccc2O1 41155569 ZLMSTPZWHXGPLR-LLVKDONJSA-N 356.328 4.048 0 40 FIAB O=C(OC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1)c1ccccc1 2042535 LTWVHGYVRHTUEX-OAQYLSRUSA-N 360.409 4.160 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 32817139 HSVUUTKXNRGECD-UHFFFAOYSA-N 357.475 4.218 0 40 FIAB Sc1nnc(CNc2cccc(Cl)c2)n1-c1ccc(Cl)cc1 4973831 MAXRWUMUSZTZHI-UHFFFAOYSA-N 351.262 4.475 0 40 FIAB CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2n1C)c1ccccc1 6930126 MFOQZSOQASZZJL-SFHVURJKSA-N 353.491 4.275 0 40 FIAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 7123469 ZGXSNEBECSCLMB-AWEZNQCLSA-N 350.443 4.491 0 40 FIAB CCOc1ccc2nc(NC(=O)[C@@H](CC)Oc3ccccc3)sc2c1 2749118 SDKDQOWNFQENSJ-MRXNPFEDSA-N 356.447 4.491 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 12137531 VZLTZWXKFJKJJG-IBGZPJMESA-N 368.477 4.319 0 40 FIAB COc1ccccc1-n1nc(CSc2nc3ccccc3o2)cc1O 9939791 JDCYMZIXBPEBJE-UHFFFAOYSA-N 353.403 4.020 0 40 FIAB Cc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Br 54363210 ATVONCXMTIFIOK-UHFFFAOYSA-N 362.333 4.251 0 40 FIAB COC(=O)c1ccoc1COC(=O)c1sc2ccccc2c1Cl 23447687 GBRISEXLZVVNSF-UHFFFAOYSA-N 350.779 4.291 0 40 FIAB Cc1cc(C)n(-c2cc(Oc3ccccc3Br)nc(C)n2)n1 12390587 VZMNOKYMHKIHAH-UHFFFAOYSA-N 359.227 4.142 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccccn1)CC2 24527613 JBGPJNHPPRRPEJ-QHCPKHFHSA-N 360.457 4.247 0 40 FIAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 100425854 AHJHZVDIVFVXOM-SFTDATJTSA-N 364.489 4.011 0 40 FIAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c1 101275488 OUJAWETXOVUTLV-CQSZACIVSA-N 363.244 4.354 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)cn1 25661696 AHAQJRGVAQHSIA-UHFFFAOYSA-N 350.249 4.170 0 40 FIAB CCN(C(=O)Nc1ccc(C)c(Cl)c1)[C@@H]1CCN(c2ccccc2)C1=O 72289067 LJVSOJFDURRUNI-GOSISDBHSA-N 371.868 4.308 0 40 FIAB C[C@@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1ccc(Cl)s1 26812745 UXPXIGUBKGYNGC-LBPRGKRZSA-N 359.882 4.409 0 40 FIAB Cc1cccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1 12551725 IQXAULIAPZMUDB-UHFFFAOYSA-N 357.413 4.474 0 40 FIAB CCn1nc(C)c2c(C(=O)Nc3nc4c(C)cccc4s3)cc(C)nc21 28246334 BDXUHIRTWMBCMF-UHFFFAOYSA-N 365.462 4.238 0 40 FIAB Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 24931389 SVRJBVJWWISKFH-NRFANRHFSA-N 359.473 4.356 0 40 FIAB Cc1nccn1CCCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 58226060 XGNIQBCDYKACGX-UHFFFAOYSA-N 360.889 4.254 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)N3CCc4sccc4[C@@H]3C)c2C)no1 22837531 HAEJQHZYROXSDE-ZDUSSCGKSA-N 355.463 4.212 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCCC1 3206340 XIAOEYNSXORRSX-DYVFJYSZSA-N 363.527 4.399 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)cc1C)cn2C 22237196 RMGDTCBHMPJSHA-UHFFFAOYSA-N 370.836 4.151 0 40 FIAB Cc1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)oc2ccc(F)cc12 27986005 CTIZQXKXHOUWOY-MRXNPFEDSA-N 357.381 4.295 0 40 FIAB CCN(CC)CCNc1ncnc2c1sc1nc(C)c3c(c12)CCCC3 2271776 ZNWMRRHCABXOEN-UHFFFAOYSA-N 369.538 4.180 0 40 FIAB CCc1ccc(OCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 28287668 LYNZMYGGVVUVLU-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1OC 36360157 KGGFDVNCPXBEAM-CYBMUJFWSA-N 367.380 4.152 0 40 FIAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 2361469 KLTHADCSHWULDS-UHFFFAOYSA-N 369.252 4.397 0 40 FIAB CCOc1ccc2nc(SCC(=O)NCCC3=CCCCC3)[nH]c2c1 12620943 COGKOFHRFLUCNK-UHFFFAOYSA-N 359.495 4.060 0 40 FIAB O=C(CSc1nncn1CCc1cccs1)c1c[nH]c2ccccc12 11105923 WJJUEBGFKKUXKZ-UHFFFAOYSA-N 368.487 4.039 0 40 FIAB Clc1ccccc1OCc1nnc(SCCOc2ccccc2)o1 3376884 BYFLBNGTEGCDKY-UHFFFAOYSA-N 362.838 4.473 0 40 FIAB CC(C)[C@H](C)N(C1CC1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 59829266 BBFQSXFARGUMSW-JTQLQIEISA-N 367.845 4.139 0 40 FIAB C[C@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)c(F)c1 12761368 IKOAJQCFXRFWDV-ZDUSSCGKSA-N 367.399 4.130 0 40 FIAB CC(C)C(=O)Nc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 12797694 XRMIXNVZJCXYNO-UHFFFAOYSA-N 358.511 4.010 0 40 FIAB Cc1ccc(CN(C)CC(=O)Nc2ccc(N3CCCCCC3)cc2)o1 8720318 UQEUMWCTPQZFCM-UHFFFAOYSA-N 355.482 4.039 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C)cc1OCc1ccccc1 49550391 DYNUKNCDSUGNKJ-MRXNPFEDSA-N 363.417 4.131 0 40 FIAB O=Cc1[nH]c2ccccc2c1N(C(=O)CN1CCCCC1)c1ccccc1 6282392 KEXDSGAIEHMGRX-UHFFFAOYSA-N 361.445 4.131 0 40 FIAB Clc1ccc2oc(-c3nn4c(-c5ccncc5)nnc4s3)cc2c1 4540232 RYCNXNYZEADERC-UHFFFAOYSA-N 353.794 4.314 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4592892 GKYRNMLGRCUZSL-VZJWBNGJSA-N 369.461 4.098 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3O)cc12 14247389 ILUYQRGPMBCLSG-UHFFFAOYSA-N 367.405 4.492 0 40 FIAB COc1cc(C(C)=O)ccc1OCCCN1CCCC[C@H]1c1cccnc1 6624281 GBKABQYFPHCHBR-FQEVSTJZSA-N 368.477 4.289 0 40 FIAB biogenic CCC(=O)c1ccc(Br)cc1NC(=O)COc1ccccc1 4772649 QIRZQUKHMGCPIP-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB COc1cc(OC)c2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 4703806 JCYUQJYBIUHIMI-UHFFFAOYSA-N 362.838 4.148 0 40 FIAB Cc1cc(-c2csc(COc3ccc(F)cc3)n2)c(C)n1-c1ncn[nH]1 9252764 IBEFFKASWQPGBA-UHFFFAOYSA-N 369.425 4.054 0 40 FIAB Cc1ccccc1CN(C)Cn1nc(C)n(-c2ccccc2C)c1=S 7091731 UTGASRSOSQKZRH-UHFFFAOYSA-N 352.507 4.418 0 40 FIAB COc1ccc(CNCCSCc2cccs2)cc1OC(F)F 7736179 BMQYEODQMAOZBF-UHFFFAOYSA-N 359.463 4.381 0 40 FIAB CCCN1CCN([C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 19359844 HQAFIUQKUPWCCZ-QFIPXVFZSA-N 365.521 4.011 0 40 FIAB Cc1cc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)c(C)o1 7905756 QUSJLWKUWHWEDZ-UHFFFAOYSA-N 357.439 4.043 0 40 FIAB COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)Nc1c(F)cccc1F 9112923 KHJWKPDCOHCKJI-NSHDSACASA-N 368.811 4.086 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)c1 9455360 NRPYFNYAMSLPQQ-ZDUSSCGKSA-N 371.437 4.154 0 40 FIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 19943210 XCCHDHWJYUGYLZ-OKILXGFUSA-N 373.946 4.494 0 40 FIAB CCOc1ccc2nc(N3C(=O)CS[C@H]3c3ccccc3)sc2c1 19927493 NRDXRZBYWYTKMJ-KRWDZBQOSA-N 356.472 4.474 0 40 FIAB CC(C)COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)cc1 79056457 ZXJIBWUHQSCSQT-VQTJNVASSA-N 357.494 4.014 0 40 FIAB C[C@](O)(COc1cccc2c1CCC2=O)c1cccc(C(F)(F)F)c1 95982032 UICDKUCSWPGULU-SFHVURJKSA-N 350.336 4.121 0 40 FIAB Cc1oc(C)c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1C 24737005 PMICVYKIBXHRRY-UHFFFAOYSA-N 369.248 4.222 0 40 FIAB CCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 22250728 DEBWPNZUEORUBC-UHFFFAOYSA-N 372.896 4.318 0 40 FIAB Cc1ccc(CSCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24389762 GGTQNICOBCRRBC-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 39759468 PSYSQBRSBDOCAK-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN(C)c1ccccc1 219383455 UYTVJYIZBJAWBN-HXUWFJFHSA-N 354.494 4.104 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)s1 225234315 SKFAAKVGNXOGOH-NSHDSACASA-N 357.888 4.100 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225107837 BNDQSQSAGFHRBI-INIZCTEOSA-N 370.474 4.187 0 40 FIAB Cc1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1F 225131014 CDVDZXJBUWYYQF-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)cc1C 225884828 LHNHEBYNMNUJJT-SFHVURJKSA-N 361.507 4.358 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccccc1C(C)C 223790670 IQZBKEYFZDSCGG-HXUWFJFHSA-N 371.477 4.171 0 40 FIAB O=C(COc1ccccc1Cl)NCc1cccc(CN2CCCCC2)c1 224674874 MGAWFZCSKNXRDH-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc3c(c2)OCO3)cc1 225498320 YACYLTHWWVGZFY-QGZVFWFLSA-N 372.490 4.498 0 40 FIAB COC(=O)c1cc2cc(NC(=S)NCc3ccc(C)cc3)ccc2s1 225212420 JUZLTJHOJDJNNX-UHFFFAOYSA-N 370.499 4.483 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)N[C@@H](C)CC 225640455 BQPYENKINLZMSO-WMLDXEAASA-N 352.906 4.162 0 40 FIAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1 225149664 PTILHKPZNXYPEW-HNNXBMFYSA-N 364.917 4.306 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 225902310 KXPXDLPUFPXZEO-QFBILLFUSA-N 356.897 4.429 0 40 FIAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(N2CCCC2=O)c1 225240549 BDNLROAVALDNKS-KRWDZBQOSA-N 364.489 4.300 0 40 FIAB O=C(Nc1ccc(F)cc1Br)c1ccnc(OCC2CC2)c1 253402556 OKYVVAKLBHSSDA-UHFFFAOYSA-N 365.202 4.024 0 40 FIAB CC(=O)N[C@]1(C)C[C@H](c2ccccc2N2CCCC2)O[C@@H]2C[C@H](C)CC[C@H]21 257329100 XIKLXLJILDMIEK-OESNXZKLSA-N 370.537 4.448 0 40 FIAB C[C@H](NC(=O)OCc1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 261508878 XWYCDJKTHMQJST-RDJZCZTQSA-N 362.470 4.091 0 40 FIAB Cc1nn(-c2ccccc2F)cc1CN1CC2(CCC2)[C@@H]1C1CCOCC1 656264799 SNCMMSXUYZSMRA-NRFANRHFSA-N 369.484 4.101 0 40 FIAB C[C@@H](NCC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(C(F)F)nc1 657861561 UQWKUCZEVMAVFB-CYBMUJFWSA-N 362.420 4.419 0 40 FIAB CC1(C)CC[C@@H]2[C@@H](CCCN2C[C@]2(O)CC[C@@H](c3ccccc3)CC2)O1 585286086 MZVUQCDUEVKSBJ-FQOCKNPQSA-N 357.538 4.497 0 40 FIAB CCN(CC)C(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC(C)=O)ccc3CC[C@H]12 5023968 VKVVOFVFODCHHI-ACIOBRDBSA-N 371.521 4.491 0 40 FIAB Cc1ccc2[nH]c(S[C@@H](C(=O)N3CCCC3)c3ccccc3)nc2c1 5184877 IYMHNNKTJWGZBG-GOSISDBHSA-N 351.475 4.327 0 40 FIAB N=c1sc(Cc2ccc(Cl)cc2)cn1CC(=O)c1ccc(F)cc1 5555024 HOYNMGAKWFEQLX-UHFFFAOYSA-N 360.841 4.295 0 40 FIAB O=C(NCCCOC1CCCCC1)c1ccc(OCc2cscn2)cc1 11356184 JNFBCTOKTSVQQW-UHFFFAOYSA-N 374.506 4.191 0 40 FIAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 14219327 HGTIDEOHYOUDSZ-ZDUSSCGKSA-N 368.296 4.105 0 40 FIAB CCCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](CC)c2ccccc2)cc1 15355140 QIUIHOKLQAHGKX-LJQANCHMSA-N 367.445 4.345 0 40 FIAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc3[nH]c(Cc4ccccc4)nc3c2)n1 19716892 MELPMXPFSUMZKS-MRXNPFEDSA-N 373.460 4.167 0 40 FIAB CCOc1ccccc1-c1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)o1 19927204 ONKYYAJKJIZLOA-FMIVXFBMSA-N 369.808 4.441 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1ncnc2c1oc1ccccc12 2467164 FRMSNWVKAWMUCC-ZDUSSCGKSA-N 355.463 4.259 0 40 FIAB O=C(NCCc1c[nH]c2cc(Cl)ccc12)[C@H]1CCOc2ccccc21 590471881 DIKMNTBVKAYUAV-KRWDZBQOSA-N 354.837 4.046 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Oc3ccccc3)c2)cc1 3555505 HGCSQTNQSQKYGE-UHFFFAOYSA-N 374.440 4.498 0 40 FIAB CSc1ccc(C)c(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 24598291 CKFNHXFARZIKSE-UHFFFAOYSA-N 356.491 4.044 0 40 FIAB Clc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2034041 HCCUPBDHYGXBLZ-UHFFFAOYSA-N 350.247 4.178 0 40 FIAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccccc3F)n2)cc1 4167339 DNJWOVVZVZSGDU-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2nc3ccc(SC)cc3s2)c1 5299096 BLIFGBWIFUTDJR-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1cc2ccccc2s1 575612455 ALCGXEHAJYKZTB-AWEZNQCLSA-N 353.472 4.179 0 40 FIAB Clc1ccc(-c2nnc(Nc3nc4cc5c(cc4s3)OCO5)o2)cc1 4137835 NVSXNHUEXQJEDR-UHFFFAOYSA-N 372.793 4.472 0 40 FIAB Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)oc2ccc(F)cc12 26530330 VCXROIXTFZSPFH-UHFFFAOYSA-N 372.827 4.496 0 40 FIAB CC[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1 40119411 YQHLEGCBFDKBKF-HXUWFJFHSA-N 363.461 4.189 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1cc2nc(C(F)F)cc(C(F)F)n2n1 655871 KFIPUMQGLKKQMC-UHFFFAOYSA-N 374.244 4.135 0 40 FIAB CCCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(C(F)(F)F)C1 845858 OTSPKTHHMGBQNH-QGZVFWFLSA-N 356.388 4.237 0 40 FIAB O=C(c1ccccc1)[C@@H](Cc1ccccc1)[P@](=O)(O)c1ccccc1 1235537 UZOWACUTRGANNK-HXUWFJFHSA-N 350.354 4.077 0 40 FIAB CCOc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1 1439941 ZASZXLLKIDSHPN-UHFFFAOYSA-N 354.431 4.034 0 40 FIAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1Cc1ccco1 2235125 YSYHAQPXKYNVKI-LJQANCHMSA-N 357.365 4.131 0 40 FIAB Cc1ccc([C@H]2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1 2407064 AEKWYFFLXFCONP-HXUWFJFHSA-N 369.468 4.260 0 40 FIAB aggregator CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O 3081978 YPKZGJJJTFJWKP-UHFFFAOYSA-N 351.402 4.143 0 40 FIAB S=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccccc1 4088076 BQJPGRNUHNEJTD-NRFANRHFSA-N 361.514 4.010 0 40 FIAB CC12Cc3nc4ccccc4c(N)c3C1(C)c1c(nc3ccccc3c1N)C2 4648869 UJHYGAUMCLNIGC-UHFFFAOYSA-N 366.468 4.372 0 40 FIAB CCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(F)cc32)cc1 5444504 SYHMXIPQZRLEHR-UHFFFAOYSA-N 360.392 4.053 0 40 FIAB Cc1nnc2sc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nn12 6223815 YFCAZIUEYSGCTM-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)c1nn(CC(C)C)c(=O)c2ccccc12 6846611 PPIGDHUJXYONSU-UHFFFAOYSA-N 369.852 4.267 0 40 FIAB O=C(OCc1nc(-c2cccs2)no1)C1(c2ccc(Cl)cc2)CC1 7219722 HEFQJUJFRRPCJE-UHFFFAOYSA-N 360.822 4.227 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nc2ccccc21 8394731 IPUGLWSVPTYKID-AWEZNQCLSA-N 367.474 4.378 0 40 FIAB COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl 8497981 NSSGMQURAFCCHO-LBPRGKRZSA-N 370.276 4.051 0 40 FIAB COc1ccc(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)cc1 8654827 URHHETIJASKNEO-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(CC)cc2)cc1 9232724 XPOJZQDEPWRMEY-UHFFFAOYSA-N 368.477 4.073 0 40 FIAB C=C1c2ccccc2N=C(S[C@H](C)C(=O)Nc2cccc(OC)c2)N1C 9683405 QKGDESJTSIIINP-CQSZACIVSA-N 367.474 4.359 0 40 FIAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2sccc2C1 10341165 NAAXYIBPKHXBSD-JTQLQIEISA-N 355.290 4.440 0 40 FIAB Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)c2c1[C@H](C)CC2=O 11052275 ZEODHBJIDZHKTH-CYBMUJFWSA-N 357.837 4.034 0 40 FIAB Cc1ccc(/C=C/c2nc(=S)n(CN(Cc3ccncc3)C3CC3)[nH]2)o1 12549305 VNMWSQGQGFEMHE-VOTSOKGWSA-N 367.478 4.030 0 40 FIAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc21 12562221 BILJUXSHGHGLEQ-OAHLLOKOSA-N 365.477 4.158 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCN(Cc2csc3ccccc23)CC1 12700345 FZIPWLKTPXQDSU-ZHACJKMWSA-N 362.498 4.259 0 40 FIAB O=C(NCc1ccco1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12760260 CZIZRRMSXRQFOR-UHFFFAOYSA-N 367.792 4.309 0 40 FIAB CN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 12903144 LTPAXBQXEWGDPL-UHFFFAOYSA-N 350.443 4.273 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2csc(-c3ccccc3)n2)cc1F 12930921 BRXCHRHBCFJUDO-GFCCVEGCSA-N 356.422 4.449 0 40 FIAB O=S(=O)(Nc1nc2c(F)cc(F)cc2s1)c1cccc(Cl)c1 13108854 JUWJNLMKMVUHHV-UHFFFAOYSA-N 360.794 4.029 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2C)c(C)c1 13649223 DUUADLWVWKVXQY-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB Cc1ccc(NC(=O)CCn2ccc3cc(Br)ccc32)nc1 13684415 AEACQFILDGVOKN-UHFFFAOYSA-N 358.239 4.136 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(OC)cc2)cs1 14093066 NGPFLVJYUHXGQN-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB COc1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 15838602 FPYFTBFIQZPIOA-UHFFFAOYSA-N 372.218 4.386 0 40 FIAB Cc1cccc(CSc2nnc(Cc3ccc(Cl)cc3)c(O)n2)c1 16777288 LYULEHDTDQKYQN-UHFFFAOYSA-N 357.866 4.422 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@@H](O)c2cc(C)ccc2C)cc1OC 19132050 QFYQFRXUOSIZJU-WOJBJXKFSA-N 355.478 4.191 0 40 FIAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)ncn3C)c(-c2cc(C)n[nH]2)c1 19665973 DUTZITUCQVIXTG-UHFFFAOYSA-N 359.433 4.141 0 40 FIAB CCN(C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)CC(C)C)CC2)C1 19712748 SLANAOXEKTZIOX-SFTDATJTSA-N 372.553 4.266 0 40 FIAB CCCCSc1nnc(S[C@H](C)C(=O)NCc2cccs2)s1 21605298 NKCVAAXKCXHWRJ-SNVBAGLBSA-N 373.594 4.289 0 40 FIAB Cc1cc(=O)oc2cc(OCc3csc(-c4ccccn4)n3)ccc12 22993545 FYJUPUPOJXLTHM-UHFFFAOYSA-N 350.399 4.199 0 40 FIAB CCN(C(=O)c1cncc(Br)c1)c1nc2ccccc2s1 23042875 MYNRIHNSZHKOBX-UHFFFAOYSA-N 362.252 4.121 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662531 WJRJPYDRCUSMLW-IBGZPJMESA-N 372.534 4.494 0 40 FIAB Cc1ccc2c(=O)cc(C(=O)Nc3ccccc3Br)oc2c1 27989566 GFKUTVFFMILUNM-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1cccs1 28403517 YINJFOTWZDQJTG-LBPRGKRZSA-N 361.854 4.052 0 40 FIAB CCCn1nnc(NCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 32617043 OMOQYGXRBHODSE-UHFFFAOYSA-N 352.225 4.262 0 40 FIAB CN(C)[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl 32732095 URHDNTPCRCJBRV-IXYLRAAXSA-N 360.929 4.275 0 40 FIAB Nc1nc(CSCc2cc(Cl)c3c(c2)OCO3)nc2ccccc12 36394029 PFEHLKSDRXRVPV-UHFFFAOYSA-N 359.838 4.028 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(OC(F)F)cc2)cc1 40023533 LXVBWJIBSBUHRH-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB CCCOCC(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 48374049 KEQVNXJSGSWBKV-UHFFFAOYSA-N 365.376 4.329 0 40 FIAB C[C@@H](Nc1ccc(F)c(F)c1)C(=O)Nc1nnc(C2CCCCC2)s1 48512796 AJSQLDFZAASKAY-SNVBAGLBSA-N 366.437 4.303 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1 57991660 LFFUJCDAOFJJKO-SECBINFHSA-N 365.202 4.462 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 58971863 WPGLFWXZMWUNLA-CALCHBBNSA-N 362.945 4.246 0 40 FIAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@H](C)CCCC(C)C 62001513 ZBKJRBUJDDRSDF-MRXNPFEDSA-N 373.493 4.374 0 40 FIAB biogenic COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3)n2)cc1 67257614 MQSYIWIDDWXLDP-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB CCOC(=O)Cc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1 71046994 NKOAEWWOWDYYHH-UHFFFAOYSA-N 366.244 4.280 0 40 FIAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 72228892 VYHMIMJAERYZIL-UHFFFAOYSA-N 361.232 4.443 0 40 FIAB Cc1nc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)co1 72358290 HVPRTMCIQNVHPJ-HXUWFJFHSA-N 365.408 4.085 0 40 FIAB Cc1ccc(NC(=O)CCNC(=O)Cc2coc3cc(C)c(C)cc23)cc1 72427604 XUKVFSBJTFIZKB-UHFFFAOYSA-N 364.445 4.046 0 40 FIAB CC(C)c1noc(-c2ccnc(NCCc3ccc(-n4cccn4)cc3)c2)n1 78903690 ILYFCTLQVMMSBP-UHFFFAOYSA-N 374.448 4.095 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c(C)n1C1CC1 84079543 INKGBSURASVEDG-HZPDHXFCSA-N 367.493 4.306 0 40 FIAB CC(C)(C)[C@@H]1C[C@@H](NC(=O)[C@H](OC2CCCC2)c2ccccc2)CCO1 95449029 ZPYOIUQSVRMCCP-YSIASYRMSA-N 359.510 4.397 0 40 FIAB CC(C)c1cc(C(=O)NCc2ccccc2Cl)nc(N2CCCCC2)n1 96101131 LMFKYFMUIYCNFV-UHFFFAOYSA-N 372.900 4.174 0 40 FIAB CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1C 96105044 GVHLIRSGOMZTPG-GOSISDBHSA-N 365.395 4.450 0 40 FIAB COc1ccc(/C=C\C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(OC)c1 96130186 MJSYLNGEPZNLNH-FYGXRCCRSA-N 365.351 4.137 0 40 FIAB O=C(c1ccc(Oc2ccccc2)o1)N1CCN(c2ccccc2F)CC1 96182936 CIEBHOITOXYLIN-UHFFFAOYSA-N 366.392 4.173 0 40 FIAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCCC(=O)c3ccccc3)nnc12 100724593 LJKNYENVADTVCG-JLTOFOAXSA-N 353.491 4.412 0 40 FIAB CN(CCCNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccccc1 104871384 UNOABPDQVPFEJG-FBIZOPLVSA-N 360.929 4.207 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 107350026 KUQSARIONLCSRO-MWDXBVQZSA-N 366.461 4.066 0 40 FIAB CC[C@@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(OC)c(OC)c1 218969857 BWTKNUJEFBZDHS-GOSISDBHSA-N 371.477 4.275 0 40 FIAB Cc1ccc(N2CCC(C(=O)N[C@@H](C)COc3ccccc3C)CC2)cc1 219864400 ZXPBFYIBEKMBQW-IBGZPJMESA-N 366.505 4.104 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224270680 OSVKYYLLJRMTNA-OAHLLOKOSA-N 357.450 4.201 0 40 FIAB CCc1ccccc1NC(=O)c1ccc(C)cc1I 225009585 FXAMLFAWGXMKKP-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225078259 PXJWQPWJNPRTCA-ZWKOTPCHSA-N 367.489 4.225 0 40 FIAB O=C1CCCN1c1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cc1 225461395 NQFORFIRNJAIFJ-IBGZPJMESA-N 365.502 4.177 0 40 FIAB CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515542 ROBUCNFFIAWEJM-UHFFFAOYSA-N 370.468 4.217 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)N[C@H](C)CC 225748098 OEYOTPAZPZLLTB-MLGOLLRUSA-N 373.324 4.425 0 40 FIAB CCN(CC)c1ccc(N)cc1NC(=O)COc1ccc(C(C)C)cc1 226260281 DRKLKNAPPGCFTP-UHFFFAOYSA-N 355.482 4.256 0 40 FIAB O=C(NCc1ccnc(-c2cccs2)c1)c1cc(-c2cccs2)on1 238942704 WDEFGUDNUQKXEI-UHFFFAOYSA-N 367.455 4.457 0 40 FIAB O=C(C1CCCC1)N1[C@H]2CC[C@H]1c1c(Nc3cccc(F)c3)n[nH]c1C2 257282032 ORZWZJIUVIAPNM-RDJZCZTQSA-N 354.429 4.071 0 40 FIAB Cc1cc2occ(CC(=O)N3CC[C@H](n4cccn4)C3)c2cc1C(C)C 329720057 DKJKDPGSIGBNCC-KRWDZBQOSA-N 351.450 4.077 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 408628855 DWMKFXQATRIIRU-LBPRGKRZSA-N 372.490 4.011 0 40 FIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C)cc1Br 408707714 CPJQKANNBIVCOH-ZDUSSCGKSA-N 369.303 4.029 0 40 FIAB Cc1coc(-c2cc(NC(=O)NC[C@H]3CCN(C(C)(C)C)C3)ccc2C)n1 666357140 DDGHOOLIFPYFFE-MRXNPFEDSA-N 370.497 4.200 0 40 FIAB CSc1cc(NC(=O)Nc2cc(-c3ccnn3C)ccc2C)ccn1 685009807 MUIMKXMRIMJQAQ-UHFFFAOYSA-N 353.451 4.156 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc3[nH]ccc3c2)c(C)c1 1211548791 HKYVCNWVKGDGPT-UHFFFAOYSA-N 358.463 4.090 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1772491873 VMDWSMDCEKVFLR-FNGVLVINSA-N 374.521 4.201 0 40 FIAB O=S(=O)(N[C@@H](c1c[nH]c2ccccc12)C1CC1)c1ccc(Cl)cc1 1776002117 LGIKPXRQJJCXRY-GOSISDBHSA-N 360.866 4.251 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCCC3)NC1CCCCC1 888495 VFOKBLRQBSFCQT-UHFFFAOYSA-N 361.536 4.111 0 40 FIAB CCC1(CC)C(=O)C(C)(C)C(=O)O[C@@H]1c1cn(C(C)=O)c2ccccc12 1080896 KLLSZIMKPHEVNM-QGZVFWFLSA-N 355.434 4.301 0 40 FIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(F)cc1F)C3 2158547 PBPXHTKOEWYCIJ-UHFFFAOYSA-N 357.356 4.353 0 40 FIAB biogenic O=C(Nc1ccccc1Cl)c1ccn(COc2ccc(F)cc2F)n1 2786937 KJNGYEARTXRRLO-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3322821 OYUKJWFXIDYMOS-NSHDSACASA-N 364.228 4.128 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(OC)c1 3519560 WVLHHIKOCGJSNO-SXQCNTSWSA-N 351.446 4.301 0 40 FIAB Cc1ccccc1-n1nc2c(c1NC(=O)/C=C\c1ccco1)CSC2 3912433 XHAZVTZNGQOSEV-HJWRWDBZSA-N 351.431 4.172 0 40 FIAB O=C(c1cccs1)N1CCN=C1SCc1c(F)cccc1Cl 4120170 UTDMMJSGCMKNNY-UHFFFAOYSA-N 354.859 4.286 0 40 FIAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)cc1 4554022 PIAFPXSBGJJXFL-SFHVURJKSA-N 371.506 4.342 0 40 FIAB CCCCc1ccc2c(N)c(C(=O)Nc3ccc4c(c3)OCO4)sc2n1 4575502 DJTKQIXPSHLCPS-UHFFFAOYSA-N 369.446 4.202 0 40 FIAB O=C([C@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCCCCC1 4745068 LZXILGAYFAYKON-NRFANRHFSA-N 350.506 4.454 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2cccs2)c1 4854582 HSSFWKZLGJHEFG-GOSISDBHSA-N 353.447 4.195 0 40 FIAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(C)s3)nc2c1 5071069 WUEQUTNAVIIJFM-JYRVWZFOSA-N 360.822 4.229 0 40 FIAB CCC(=O)NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 5545862 FGWRAJUTBAWZFU-UHFFFAOYSA-N 355.869 4.197 0 40 FIAB O=C(CNC(=O)c1ccc(Cl)cc1)OCc1ccc(Cl)c(Cl)c1 6100155 ZXXLTRBPAWBHPS-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)cc1OC 6207044 MEXHOMMXINMUBZ-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(NC2CCCCC2)s1 6267855 QCNWARXQTLXZBM-JSGCOSHPSA-N 368.572 4.070 0 40 FIAB COc1cccc(NC(=O)Cn2ccc3cc(Br)ccc32)c1 6715308 GAFZFOLZGULZLF-UHFFFAOYSA-N 359.223 4.051 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)[C@H]1C 6795691 APIOFWMIYQNSTG-KYRVCDIISA-N 364.574 4.429 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1OCC 6811479 IPWMFJIZIJCAFV-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6951576 DIBVSOIFJIIAGA-JCGVRSQUSA-N 366.373 4.128 0 40 FIAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(F)c1 7940265 SVICWKPVQZUPEI-NAVXVDNBSA-N 372.484 4.121 0 40 FIAB COc1ccccc1CNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8208425 AQUPZOIACVWGGL-UHFFFAOYSA-N 365.458 4.316 0 40 FIAB Cc1ccn2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)nc2c1 8216634 NWQLMULMGFVZTQ-INIZCTEOSA-N 362.458 4.230 0 40 FIAB COc1ccc(CNC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 8272677 WXTITXSNMWBJDP-UHFFFAOYSA-N 353.393 4.343 0 40 FIAB Cc1cccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1C 8705130 WFBYOVRWKUMNGX-UHFFFAOYSA-N 357.475 4.029 0 40 FIAB COc1ccc([C@H](CC(=O)Nc2ccccc2C(C)C)NC(C)=O)cc1 8726181 HLNWOOUZBLDERF-FQEVSTJZSA-N 354.450 4.025 0 40 FIAB CC(=O)NC(=S)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C 9064188 TYOWIGPNZUMTEY-UHFFFAOYSA-N 353.447 4.253 0 40 FIAB O=c1[nH]c(CSCc2cccc(C(F)(F)F)c2)nc2ccccc12 9114724 JCBGCASRSALTMN-UHFFFAOYSA-N 350.365 4.375 0 40 FIAB Cc1sc2[nH]c(CN3CCC(Cc4ccccc4)CC3)nc(=O)c2c1C 9691999 BVBKZQIZYOITRD-UHFFFAOYSA-N 367.518 4.056 0 40 FIAB Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c2c1[C@H](C)CC2=O 11052688 JJBXPSLGPZSLRK-QAPCUYQASA-N 363.457 4.258 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2cccnc2)cc1OC 12088982 FYHHTUHNZUTAER-GPHNJDIKSA-N 352.478 4.161 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cc(O)nc2ccccc12 12263062 ZQPNSHZMYOXKOZ-UHFFFAOYSA-N 360.369 4.261 0 40 FIAB Cc1cc(SCc2nc(N)nc(Nc3ccccc3)n2)nc2ccccc12 12542927 HSQADJMVRFVKIY-UHFFFAOYSA-N 374.473 4.346 0 40 FIAB Cn1c(C[C@H](NC(=O)c2cccc(F)c2)c2ccccc2)nc2ccccc21 12627368 BNIOEAURRRXOIN-FQEVSTJZSA-N 373.431 4.426 0 40 FIAB COc1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 12881718 BEXAJMITUAAQBW-UHFFFAOYSA-N 350.422 4.151 0 40 FIAB Cc1cc(NC(=O)CN(C)[C@H](C)c2ccccc2)n(-c2ccccc2C)n1 12925966 BCBHDLGNFFDHTB-GOSISDBHSA-N 362.477 4.121 0 40 FIAB Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1C 13110135 NEUCIWKTRFNBDI-UHFFFAOYSA-N 351.475 4.279 0 40 FIAB COc1ccc(Cl)c2c(=O)c(CN3CCc4ccccc4C3)c(C)[nH]c12 19793515 LOALMYXLSWNXKB-UHFFFAOYSA-N 368.864 4.057 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C)cc2)n1 21168565 XNNBRMRHDJZBQG-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccccc1 21787211 YRCHHZQPAAUKOR-FQEVSTJZSA-N 363.461 4.189 0 40 FIAB O=C(c1ccc(OCc2cccnc2)cc1)N1CC[C@@H]2CCCC[C@H]2C1 23113964 IIZDIDKMIAESAL-ICSRJNTNSA-N 350.462 4.313 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 25540710 KRBMZSYRIJAAMS-OWNQEUAMSA-N 374.521 4.201 0 40 FIAB Cc1cc(N[C@H](c2ccc(F)cc2)C(C)C)n2nc(C(F)(F)F)nc2n1 26696920 VIYBGOUTCMQXOH-AWEZNQCLSA-N 367.350 4.400 0 40 FIAB COc1ccc(Br)cc1CN(C)[C@@H](C)c1nc(C(C)C)no1 27769040 TZFGEWIWSJAHAQ-NSHDSACASA-N 368.275 4.157 0 40 FIAB O=C(COc1ccc(F)cc1Cl)NCc1ccccc1C(F)(F)F 27983443 OMEJSNMWLSIIQY-UHFFFAOYSA-N 361.722 4.193 0 40 FIAB O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccccc1 28527169 CGRCYQUVJWDLHR-UHFFFAOYSA-N 361.449 4.243 0 40 FIAB Cc1ccc(-c2nc(CSc3nnc(C(F)(F)F)n3C)cs2)o1 32325852 ZUHGWJYUXPLIRZ-UHFFFAOYSA-N 360.386 4.151 0 40 FIAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc2ccccc2n1 32924179 UVUHHPIQUPVJMU-UHFFFAOYSA-N 358.401 4.246 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCCCCC1 38752969 LHCIQUVPQXWPPH-NRFANRHFSA-N 368.521 4.380 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 40096398 QMQLDUUSYXERAC-UHFFFAOYSA-N 369.465 4.003 0 40 FIAB CCn1c(C)cc(C(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)c1C 40152233 MSKZUXXWVYCRBD-UHFFFAOYSA-N 367.474 4.067 0 40 FIAB COc1ccc(F)c(CN(CCCn2ccnc2)Cc2ccc(C)s2)c1 43277891 OEMMFQWWDSPWMP-UHFFFAOYSA-N 373.497 4.493 0 40 FIAB COc1ccc([C@H](NC(=O)c2ccc(-n3nccc3C)cc2)C2CC2)cc1 48252924 YFNRIPVVYRWWEX-OAQYLSRUSA-N 361.445 4.070 0 40 FIAB CCOC(=O)c1sc2nc(C)nc(N(CC)Cc3ccco3)c2c1C 48361458 VIHXHXKOJDYOPF-UHFFFAOYSA-N 359.451 4.104 0 40 FIAB O=Cc1cn(CCOc2ccc(F)cc2)c2ccc(Br)cc12 59109398 WWEAVKGZZOOWSX-UHFFFAOYSA-N 362.198 4.434 0 40 FIAB CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccccc1 61914876 HUZWIKVTKCSUQP-HXUWFJFHSA-N 361.445 4.077 0 40 FIAB O=C(c1csc2c1CCCC2)N1CCC(Nc2ccc(F)cc2)CC1 63584437 PWFMGUCQQUOKKY-UHFFFAOYSA-N 358.482 4.483 0 40 FIAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1 67796101 NLXUZPNZYRWBHC-UHFFFAOYSA-N 368.820 4.044 0 40 FIAB CN(C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCC1 72296995 GAPUKOBRAVOHOU-LJQANCHMSA-N 370.880 4.212 0 40 FIAB Cc1cccc2c(C[C@@H](C)NC(=O)c3cccc(Cn4cccn4)c3)c[nH]c12 72390296 UHQAVWNJEPZYCW-QGZVFWFLSA-N 372.472 4.082 0 40 FIAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1N(Cc1ccco1)Cc1ccco1 77262241 PHYKURYVKVSCAV-QRWLVFNGSA-N 370.449 4.013 0 40 FIAB biogenic,in-vitro COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](C)CC(=O)c1ccccc1F 84131444 IYOOLUFDYNEYMU-LSDHHAIUSA-N 357.425 4.229 0 40 FIAB COc1cc([C@@H](C)Nc2ccn(Cc3ccccc3)n2)cc(OC)c1OC 95462752 AJVACZIVSPXNQS-OAHLLOKOSA-N 367.449 4.130 0 40 FIAB COc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)c1OC 96997143 WTTGGLCIUAYYSR-UHFFFAOYSA-N 371.824 4.104 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2 100166260 IKQBVBCRAZQDLL-RTBURBONSA-N 367.420 4.148 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 149282986 STPHDHBALDWARS-INIZCTEOSA-N 373.518 4.242 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)n1cc(CO)c2ccccc21 216956092 VUBGLJRSVLYSIT-UHFFFAOYSA-N 350.201 4.138 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 222825581 IRWXVMGPHFQGGB-INIZCTEOSA-N 372.896 4.092 0 40 FIAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222951122 VWNZKVRYWFZPAS-AWEZNQCLSA-N 363.910 4.399 0 40 FIAB Cc1cnc(NC(=S)N[C@H](C)c2ccccc2)c(Br)c1 223955562 NCAZTOTUTKTILF-LLVKDONJSA-N 350.285 4.200 0 40 FIAB COc1ccc2c(c1)CN(Cc1ccccc1Cl)CC[C@H]1COC(=O)N21 225491856 HHYMKUDTEKOQHI-INIZCTEOSA-N 372.852 4.080 0 40 FIAB biogenic,in-vitro Cc1cccc(CSCCNC(=O)COc2cccc3c2CCCC3)c1 225671779 PWUXYRVIZAIPIN-UHFFFAOYSA-N 369.530 4.302 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(O[C@@H]2CCSC2)c1 225720817 OROAULWIYVFZSW-GFCCVEGCSA-N 352.818 4.011 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225821567 JGPGWABKBYGBNV-VLIAUNLRSA-N 365.470 4.184 0 40 FIAB CCCCC[C@@](C)(OCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225898017 GITXIGWQIAEDDX-HXUWFJFHSA-N 366.502 4.119 0 40 FIAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC2CCCCCC2)n1 226010927 YHVVWMQSMXMKHI-HNNXBMFYSA-N 361.559 4.173 0 40 FIAB C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)N=c1cc[nH]cc1 504150428 XVQRYYXZVBQHJH-JTSKRJEESA-N 357.457 4.114 0 40 FIAB FC(F)Oc1ccc(CCc2noc(-c3csc(C4CC4)n3)n2)cc1 546454921 LLHKFFSBNRMHGC-UHFFFAOYSA-N 363.389 4.457 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)n1 575611027 SXHFGGJWGABCJL-MRXNPFEDSA-N 359.882 4.234 0 40 FIAB COc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)C(C)C)c1 585105678 BQFRTCRWDDZTJO-UHFFFAOYSA-N 365.473 4.413 0 40 FIAB FC(F)Cn1c(-c2cccnc2)nnc1N1CCC2(CCCCC2)CC1 1548453520 JSGLLIKPLGNXNN-UHFFFAOYSA-N 361.440 4.156 0 40 FIAB Cc1ncccc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615159061 SJTFBNCANQRTFA-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB CC(C)Oc1ccccc1CN1CCCc2cccc(n2)CCCOCC1 2037978088 YCNUELRMWXKNCY-UHFFFAOYSA-N 368.521 4.266 0 40 FIAB Cc1ccsc1CN1C[C@@H]2CCC[C@H](N(C)Cc3ccncc3)[C@H]2C1 2055746516 RGJAUYIHVBAVMY-UFYCRDLUSA-N 355.551 4.184 0 40 FIAB Cc1ccc(C)c(-n2nnnc2SCc2nc3ccccc3s2)c1 2646779 UMWWZLUARFFEQF-UHFFFAOYSA-N 353.476 4.181 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccccc2OCc2cscn2)c1 32747469 UOGDSXHVDKITBU-UHFFFAOYSA-N 352.415 4.177 0 40 FIAB O=C(Nc1cccc(Br)c1)c1ccc(OC2CSC2)cc1 1068950 QIEPYOOWVHKPFE-UHFFFAOYSA-N 364.264 4.196 0 40 FIAB Cc1cc2occ(CC(=O)Oc3cccc(C(N)=O)c3)c2cc1C(C)C 32832581 YSZBWLYBJFCKSX-UHFFFAOYSA-N 351.402 4.112 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccccc1Br 4807150 CUILLSBTUXSZJU-UHFFFAOYSA-N 374.259 4.311 0 40 FIAB Cc1ccc2c(CC(=O)Nc3nnc(-c4ccccn4)s3)coc2c1C 46754448 GPBCMTJFNIQWGH-UHFFFAOYSA-N 364.430 4.144 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCc1cc(Cl)c2c(c1)OCO2 7742633 VQIWWQSSFOIARP-UHFFFAOYSA-N 371.776 4.389 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)n2nc(-c3ccncc3)oc2=S)cc1 8324044 LXKLZKWUEJUDDJ-GFCCVEGCSA-N 355.419 4.110 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(C)cc2)c(F)c1 8411746 NFFZBNJVQRVZOP-UHFFFAOYSA-N 372.465 4.325 0 40 FIAB COc1cc(CNCc2ccccc2Cl)cc(Br)c1OC 8469838 GQLPMFLNHYVEHP-UHFFFAOYSA-N 370.674 4.410 0 40 FIAB CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27582193 BURRSHNNMZLBGU-LJQANCHMSA-N 372.534 4.494 0 40 FIAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(NC(C)=O)cc1 59099156 UBUWCFWMYOYREF-UHFFFAOYSA-N 370.453 4.355 0 40 FIAB Clc1cccc(N2CCN(Cc3csc(-c4ccco4)n3)CC2)c1 55504316 UMFUJPHYLDVZPN-UHFFFAOYSA-N 359.882 4.379 0 40 FIAB COc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1Br 56184558 LRTOSHABMRXTRH-LLVKDONJSA-N 364.239 4.417 0 40 FIAB C[S@](=O)Cc1cccc(C(=O)NCC2CCC(c3ccccc3)CC2)c1 108289343 UQTSZPGKHTZYTQ-XCUQADKLSA-N 369.530 4.269 0 40 FIAB CC(C)N(C(=O)CNc1ccccc1N1CCc2ccccc2C1)C(C)C 57830302 YHNXKBGNOSLFIN-UHFFFAOYSA-N 365.521 4.307 0 40 FIAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NC1CCCC1 3262402 RKUGIVOTZLYCEP-UHFFFAOYSA-N 372.273 4.424 0 40 FIAB Cc1ccc(-n2c(N3CCc4ccccc4C3)nc(Cl)c2C=O)cc1 58177664 JFNOISOIWLCVCY-UHFFFAOYSA-N 351.837 4.209 0 40 FIAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837384 RSFSDYNQPALZJO-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3cccnc3)[C@@H]1[C@H]2C 100745188 BPMYDYKKXHFZDO-PNLWMVSSSA-N 358.482 4.122 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(C(F)(F)F)c1 27975488 IZZKVDFPGYIPFH-CYBMUJFWSA-N 363.379 4.278 0 40 FIAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)cc3cccnc23)CC1 48286007 DLOWHBUELKJIFV-UHFFFAOYSA-N 373.884 4.111 0 40 FIAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1 2293196 JNYBRLMKPZHZQT-UHFFFAOYSA-N 358.397 4.070 0 40 FIAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccc(Cl)cc1 2314569 HSRDJBPQGRCJRE-UHFFFAOYSA-N 360.772 4.389 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)s1 10926257 JROWMOORNLHKBH-UHFFFAOYSA-N 365.252 4.111 0 40 FIAB O=C(NCc1cc2ccccc2[nH]1)c1cccnc1Nc1cccc(F)c1 58899516 GDHXZHFJIKGBJC-UHFFFAOYSA-N 360.392 4.376 0 40 FIAB C[C@H](CCc1ccco1)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 12728709 YVOPJGCHPHBCAZ-OAHLLOKOSA-N 365.404 4.401 0 40 FIAB CC(C)(C)c1nc(CN2CCN(Cc3ccc(Cl)s3)CC2)cs1 48353965 IGMATCIXKHWKOH-UHFFFAOYSA-N 369.987 4.473 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(NC(=O)C2CC2)s1 12830084 ITLNGXXAXPJCFY-UHFFFAOYSA-N 361.492 4.074 0 40 FIAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C 3479226 ROEXVTBGOMQWCN-UHFFFAOYSA-N 356.447 4.164 0 40 FIAB COc1ccccc1NC(=O)CCCOc1cccc(Br)c1 3481818 TWLBOWLYMMCRML-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB CCc1ccc(C(=O)COc2ccccc2C(=O)NCc2ccccc2)cc1 3446372 RZOBKRKJXMJPDY-UHFFFAOYSA-N 373.452 4.441 0 40 FIAB CC(C)n1ccc(-c2nc(C(=O)N(C)Cc3ccccn3)c3ccccn23)c1 306141749 WFHQNIZRXZQANE-UHFFFAOYSA-N 373.460 4.051 0 40 FIAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc2ccccc2[nH]c1=O 69778427 ZXQJSQOTYAEVLI-SFHVURJKSA-N 367.836 4.158 0 40 FIAB CC(C)(C)n1cc(NC(=O)/C=C/c2ccc(Br)s2)cn1 49431154 WLFUWDDAFMYLBN-FNORWQNLSA-N 354.273 4.114 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 20458788 HJTCFKWOOZRNEG-OAQYLSRUSA-N 351.471 4.371 0 40 FIAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2nccc3ccccc23)cc1 8720572 NXCKWEDBRFSSGX-OAHLLOKOSA-N 354.475 4.227 0 40 FIAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)ccc21 5241064 LNQJEYQQMZCIIX-UHFFFAOYSA-N 363.461 4.275 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 20493028 UHDZVKAJBZELAR-SFHVURJKSA-N 374.868 4.274 0 40 FIAB CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(Cl)s2)c(C)n1 14069728 CUNYJUWAPDGIPO-UHFFFAOYSA-N 369.943 4.121 0 40 FIAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 20107318 DEVAIJXMNZCEIR-NSHDSACASA-N 374.289 4.183 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 5549100 ZAOLACAVSABAEW-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc2c1CCCC2 15582623 UFCKXBVPGZOLAV-UHFFFAOYSA-N 353.447 4.248 0 40 FIAB CCc1cccc(C)c1NC(=O)CN(C)Cc1nc2ccccc2s1 7689263 PWVQDDGSVUSPJP-UHFFFAOYSA-N 353.491 4.238 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 8283865 PFLLYOPQKZXDTP-OXJNMPFZSA-N 363.461 4.222 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20141676 WEIZLYQAONJOER-UHFFFAOYSA-N 354.189 4.343 0 40 FIAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3)N(C)C)c(C)c2cc1C 28290697 ZEXRZWRPIJQSHV-LJQANCHMSA-N 350.462 4.391 0 40 FIAB Fc1ccc(C2(c3nnc(Cc4ccccc4F)o3)CCOCC2)cc1 71890009 GZHAEXGSTSYTCP-UHFFFAOYSA-N 356.372 4.035 0 40 FIAB Cc1noc(C(F)(F)F)c1C(=O)Nc1nc(-c2ccccc2)cs1 72307007 WMXSEBRUPLNABL-UHFFFAOYSA-N 353.325 4.378 0 40 FIAB Cn1cc(CNc2cc(C3CCCCCC3)n[nH]2)c(-c2cccnc2)n1 84314202 ILKPBFXRXDYRNJ-UHFFFAOYSA-N 350.470 4.255 0 40 FIAB Cc1nn(C)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1[C@@H](C)c1ccccc1 9740416 RVJXRBSDKGAOOT-YCRPNKLZSA-N 360.461 4.365 0 40 FIAB COc1ccc(C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1OC 89459858 LKWUPOMMIZEIKL-UHFFFAOYSA-N 373.405 4.323 0 40 FIAB COc1ccc2cc(COC(=O)Cc3ccc(Cl)nc3C)ccc2c1 89536921 HVOCLOQNHIQWBL-UHFFFAOYSA-N 355.821 4.491 0 40 FIAB CCOc1cccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c1 408812037 LADKXAVWBDKSAY-UHFFFAOYSA-N 369.466 4.165 0 40 FIAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1cccc(Br)c1 306145409 DRXOIPPWRYBLNN-NSHDSACASA-N 373.130 4.341 0 40 FIAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)cc1 408737305 NLJKKDANKYNCQT-NRFANRHFSA-N 374.440 4.333 0 40 FIAB CCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 32609727 ALEZUVBHVBNWQQ-UHFFFAOYSA-N 367.424 4.338 0 40 FIAB COc1cccc(NC(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1 32610041 KQUAMUYIBMTPNH-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB CC[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3)cc2C1 32707933 VKXMISGXUUOCQT-KBPBESRZSA-N 357.475 4.447 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 408997374 GGTDLXLEBLOENB-QGZVFWFLSA-N 358.825 4.250 0 40 FIAB Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)c2c1 32954565 BAYXUOOQYHLBBW-MRXNPFEDSA-N 368.477 4.188 0 40 FIAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1cccnc1 32102393 VVNXVMMYROPLJX-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 32579005 IXPKRUOLBJCTLT-OAHLLOKOSA-N 365.433 4.152 0 40 FIAB Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)o1 73099297 OVXHVSDSZJYKLP-CQSZACIVSA-N 353.447 4.273 0 40 FIAB Cn1cnc2cc(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)ccc21 126560422 SHMWOKZYDMOZAW-UHFFFAOYSA-N 353.470 4.075 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219314580 WNPCZYUAWKEFGI-MSOLQXFVSA-N 371.477 4.437 0 40 FIAB Cc1ccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c(C)c1 33063880 SIZOBWCENMGSOP-UHFFFAOYSA-N 370.449 4.156 0 40 FIAB O=C(Cn1ccnc1)N[C@@H](c1ccccc1)c1cc(Cl)ccc1Cl 558282674 BUAHTETUZRZOEV-SFHVURJKSA-N 360.244 4.096 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)cc1 38500945 XHZTYLPJBZRTAD-UHFFFAOYSA-N 357.360 4.192 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1C 36635464 AAUXHOYUJWBXDA-INIZCTEOSA-N 363.244 4.354 0 40 FIAB CCCOc1ccccc1CCCNC(=O)Cc1ccc(OC)c(C)c1 223670694 UDRRYHVEIIMZCT-UHFFFAOYSA-N 355.478 4.084 0 40 FIAB CCN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1 48308905 NZNXXOGSYZGMRT-UHFFFAOYSA-N 352.434 4.193 0 40 FIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225738311 OBDRTSOYPLTUAK-NRFANRHFSA-N 364.530 4.331 0 40 FIAB O=C(CCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 199734249 HMNDVOSJDOQPHB-UHFFFAOYSA-N 363.379 4.358 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)[nH]1 224390106 VRLDSBNZBUNBAL-RTBURBONSA-N 366.465 4.343 0 40 FIAB CC(C)c1ccc(NC(=S)N2CCN(C3CCSCC3)CC2)cc1 225216846 PKSFIOCCUFWXKF-UHFFFAOYSA-N 363.596 4.020 0 40 FIAB COc1cccc(-n2cnc3c2[C@@H](c2cccc(O)c2)SCC(O)=N3)c1 95478963 SNSGFMRAXOGQLT-GOSISDBHSA-N 367.430 4.011 0 40 FIAB CCN(Cc1ccccc1NC(=O)N1CC2(CC=CC2)[C@H]1C(C)C)C(C)=O 646217371 LTXWVVFEVIQVFK-HXUWFJFHSA-N 369.509 4.264 0 40 FIAB O=C(N[C@H]1CCC[C@H](CO)C1)c1ccc(COc2ccc(Cl)cc2)cc1 665672789 TVXIUIQAHPHKNU-LPHOPBHVSA-N 373.880 4.200 0 40 FIAB C[C@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCc2sccc2C1 642194834 CVLIADKVMYAAAB-LBPRGKRZSA-N 367.474 4.152 0 40 FIAB Cc1cnc(Nc2cccc(C3CCN(Cc4cccnc4)CC3)n2)s1 585262716 WZCBYZIVXRELHH-UHFFFAOYSA-N 365.506 4.365 0 40 FIAB COc1ccc([C@H](NCc2nc3cc(Cl)ccc3c(=O)[nH]2)C(C)C)cc1 49609478 FAXMDQBHQJXIMU-LJQANCHMSA-N 371.868 4.072 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2F)cc1 5678791 UECMFSSFIRDXPV-RUDMXATFSA-N 350.187 4.249 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1C 13684546 FFQGPOVCXGECDH-INIZCTEOSA-N 368.477 4.158 0 40 FIAB Cc1sc(NC(=O)c2cc(=O)[nH]c3ccccc23)nc1-c1ccccc1 16051025 QCAOGZHDOANNTI-UHFFFAOYSA-N 361.426 4.212 0 40 FIAB CCCCOCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 17441721 HLPDMMIQGQSSDD-UHFFFAOYSA-N 363.461 4.233 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2Cc2ncc[nH]2)n1 19692086 HDRYPNDPHSGRLH-FQEVSTJZSA-N 350.441 4.180 0 40 FIAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc(C(C)=O)c1C 5375177 YXDLTNPNSWXPEM-UHFFFAOYSA-N 362.476 4.245 0 40 FIAB CCCCn1nc(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O 6429986 YPAADGRSVLJHTN-UHFFFAOYSA-N 355.825 4.102 0 40 FIAB O=C(CSc1nccn1Cc1cccs1)Nc1cccc(Cl)c1 7417588 PGCBNWVSJSQZAB-UHFFFAOYSA-N 363.895 4.377 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3C)cc21 8959633 CGIHQTNMALWQLJ-UHFFFAOYSA-N 366.461 4.409 0 40 FIAB O=C1Nc2ccc(Cl)cc2[C@]12Nc1ccccc1-c1nc3ccccc3n12 12377186 XUXJYUHYIYHQRB-OAQYLSRUSA-N 372.815 4.435 0 40 FIAB Cn1cc(CC(=O)N2CCS[C@@H](c3cccs3)CC2)c2ccccc21 219465933 SQWVCDNSCCQRRR-LJQANCHMSA-N 370.543 4.489 0 40 FIAB CCCC(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 4078259 OQUZNMRJBHJBIG-UHFFFAOYSA-N 372.313 4.332 0 40 FIAB CC(C)NC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 4221092 QTEDTJGRMUGTRR-UHFFFAOYSA-N 373.909 4.355 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(-c2nccs2)cc1 10448346 OXTCTBOYKJLUHD-UHFFFAOYSA-N 352.415 4.110 0 40 FIAB Cc1ccc(CN(C(=O)c2cnc(C)cn2)[C@@H]2CCc3ccccc32)cc1 40151932 MELQYPNMVUZOJE-JOCHJYFZSA-N 357.457 4.423 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccco2)nc2ccccc12 20835893 ORHCQMBIQWIKIC-UHFFFAOYSA-N 362.414 4.476 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(C(C)(C)C)s1 795305 ZYDSSIZVDVLPEQ-UHFFFAOYSA-N 353.875 4.285 0 40 FIAB Cc1cc2cccc(C)c2nc1SCC(=O)Nc1ccc2c(c1)OCO2 875721 UKCOHVKGDWRTTA-UHFFFAOYSA-N 366.442 4.311 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 1090587 URWBXOGHOFNYFS-BOPFTXTBSA-N 354.431 4.110 0 40 FIAB Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1786142 UAKNXINPVYDLOR-UHFFFAOYSA-N 361.228 4.080 0 40 FIAB C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N12 2140160 ALBUDBJWMWNMKJ-APPDUMDISA-N 365.820 4.276 0 40 FIAB biogenic O=C(O)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2341214 MVPLLIGOPYVBHV-UHFFFAOYSA-N 356.472 4.414 0 40 FIAB Clc1cccc2[nH]c3c(N4CCN(c5ccccc5)CC4)ncnc3c12 2372838 PRQZCSRVLPOPCW-UHFFFAOYSA-N 363.852 4.091 0 40 FIAB Cc1sc2nc(SCc3c(F)cccc3F)n(C)c(=O)c2c1C 2378819 JLLPWAGEWIPIGR-UHFFFAOYSA-N 352.431 4.182 0 40 FIAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 2386699 LFVCHRHMIGQKLO-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)nc(C)c1C 2621218 YBQREKIGHNXEOB-UHFFFAOYSA-N 356.278 4.439 0 40 FIAB COc1cccc(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 2639518 RFVYMTAZFFIAAS-UHFFFAOYSA-N 360.385 4.278 0 40 FIAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)N(C)C1CCCCC1 2653368 YWCSUXINKZLRCM-NSHDSACASA-N 351.497 4.070 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)OCc1csc(-c2ccccc2)n1 2662022 QNQCMWKKUKUYJL-UHFFFAOYSA-N 365.454 4.421 0 40 FIAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 3176521 UCRVTNWPBCLYBO-QGZVFWFLSA-N 366.461 4.247 0 40 FIAB CC(=O)c1ccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)cc1 3342363 PUYPKFARXCWYKF-UHFFFAOYSA-N 369.442 4.152 0 40 FIAB Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(O)c1 3523929 XGJHHENXLDMMJF-UHFFFAOYSA-N 352.390 4.137 0 40 FIAB Cc1ccc(CNC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 4025142 JXIIANWUOISDLF-CYBMUJFWSA-N 361.367 4.241 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN=C1SCc1ccccc1 4119824 OMYPEEWQIYFOCD-UHFFFAOYSA-N 364.392 4.451 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1 5332683 RHGCCTDOGPUFRI-FYQPLNBISA-N 350.414 4.004 0 40 FIAB COc1ccc(NC(=O)CCc2c(C)nc(SC)nc2C)cc1Cl 5404984 QBSAPJODHUIWFM-UHFFFAOYSA-N 365.886 4.049 0 40 FIAB CCSc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 5450411 UVXPVEDJGSIYNE-QWRGUYRKSA-N 365.549 4.109 0 40 FIAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1O 5904262 XIPGJLJFVKPWQP-UHFFFAOYSA-N 352.386 4.198 0 40 FIAB biogenic Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1C 6438894 JXARCFOPLZOMBF-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2cccc(Cl)c2)cc1 6543017 IWAOEHAEJVBGKP-UHFFFAOYSA-N 372.896 4.074 0 40 FIAB COc1cc(-c2cnc3c(-c4cccs4)cnn3c2)cc(OC)c1OC 6745557 AOQHNIAJGWWNOX-UHFFFAOYSA-N 367.430 4.151 0 40 FIAB C[C@@H](SCc1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 7003772 XIHVJHPEIHJUJF-GFCCVEGCSA-N 354.903 4.120 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 7306961 LOLAQAPAOAQNKU-HNNXBMFYSA-N 372.515 4.173 0 40 FIAB COc1ccc(-c2nc(CC(=O)Nc3ccccc3)cs2)cc1OC 7609416 OWGXVHYDYQCGSE-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882459 MVDCSOMVIXIFFZ-GOSISDBHSA-N 372.424 4.034 0 40 FIAB COc1ccc2cc(Br)ccc2c1CC(=O)N1CCCCC1 8494218 OPFSWSWGNOKKPX-UHFFFAOYSA-N 362.267 4.166 0 40 FIAB CC1=C(C(=O)O)[C@H](c2ccccc2Cl)NC(=S)N1c1ccccc1 8727214 QCDTWLKPUVLZPY-INIZCTEOSA-N 358.850 4.134 0 40 FIAB COc1ccc([C@H](NC(=O)Cc2ccccc2OC)c2ccccc2)cc1 9389656 NRGGNKXBJCWMGZ-HSZRJFAPSA-N 361.441 4.152 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1c[nH]c2ccccc12 9548831 RRBNWGVFHKZTGU-UHFFFAOYSA-N 372.472 4.004 0 40 FIAB CCc1sc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1C 9954379 OXPXDFOOKYQGFL-UHFFFAOYSA-N 370.396 4.163 0 40 FIAB O=C(CCS[C@H]1CCc2ccccc2N=C1O)NCCc1ccccc1 11865954 QLVFTUZNWJFRSE-IBGZPJMESA-N 368.502 4.072 0 40 FIAB CCOc1cccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1 11917372 RTQGRBXQMXVYQL-UHFFFAOYSA-N 350.393 4.466 0 40 FIAB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)c1nc2ccccc2c(=O)[nH]1 12104842 WQZYZPQZNZOYOK-LBPRGKRZSA-N 369.494 4.017 0 40 FIAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3cnn(C(C)C)c3)[nH]c2cc1C 12157750 HSVBXMAFWKZJIQ-LJQANCHMSA-N 365.481 4.325 0 40 FIAB Fc1cccc(CNc2ncc(-c3cnccn3)c(-c3cccs3)n2)c1 12184737 SLLAPDZPLCISST-UHFFFAOYSA-N 363.421 4.413 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 12507407 VRGCWBROZSTYDT-SFHVURJKSA-N 374.271 4.175 0 40 FIAB Fc1ccc(-c2nc(CSc3nccn3-c3ccccc3)no2)cc1 12535530 IJESVXAVEYVWJC-UHFFFAOYSA-N 352.394 4.354 0 40 FIAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1c[nH]c2ccccc12 12915684 BEWQAYANKAONSF-UHFFFAOYSA-N 371.444 4.405 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1C 13613739 PYCHHMQVXXLICU-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB c1ccc(Cn2c(SCc3ccc4c(c3)OCO4)nnc2C2CC2)cc1 14182909 UMWPFIGDCPWRKX-UHFFFAOYSA-N 365.458 4.225 0 40 FIAB Cc1csc(=O)n1CCC(=O)Nc1cccc(Oc2ccccc2)c1 14200595 MUAJFVGEXMGGHX-UHFFFAOYSA-N 354.431 4.039 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 14257636 HEOPYWAECUDOTB-UHFFFAOYSA-N 352.463 4.089 0 40 FIAB COc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)cc1 18056071 SJYRBRORTHROFT-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB CCOc1ccc([C@@H](C)N(C)C(=O)[C@H](C)Cn2cnc3ccccc32)cc1 19532620 FCSJXIVRCFKQBY-IAGOWNOFSA-N 365.477 4.291 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 19687021 FPAXVRTVZIQRKI-NRFANRHFSA-N 366.505 4.378 0 40 FIAB COc1ccc(-c2ccc(CNC[C@H](O)c3ccccc3)o2)cc1Cl 20018581 NAHSWSLFZSVYKW-SFHVURJKSA-N 357.837 4.432 0 40 FIAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(Br)cc1 20138278 HAMJBHNSPNYQKQ-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20143771 OCLJXZXGOPGMPI-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)CCc1nnc(-c2ccccc2)o1 20911349 ZBOFUQOUULSZSZ-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB COc1cccc(CCC(=O)OCc2ncc(-c3ccccc3)o2)c1OC 21544222 IZYLHXCIWOMVEW-UHFFFAOYSA-N 367.401 4.035 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)cc1 21596403 OIGZZYVNVFAQBE-UHFFFAOYSA-N 356.491 4.379 0 40 FIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CCc2sccc2C1 22456613 PGLBCVYYUTUCFC-LLVKDONJSA-N 360.529 4.423 0 40 FIAB O=C(Nc1cccnc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23043223 QZBJFALMEQBTJA-UHFFFAOYSA-N 372.472 4.021 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc(-c2ccco2)[nH]n1 30603746 ROHDCNBDMHXJJY-UHFFFAOYSA-N 365.389 4.354 0 40 FIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(OCc2ccccc2)c1 30657195 DDTWVAQQUYWCOG-UHFFFAOYSA-N 371.440 4.414 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N(C)[C@H](C)c2ccccc2)cc1 31037211 OUKACORUVHSAMM-MRXNPFEDSA-N 353.466 4.184 0 40 FIAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)NC1CCCCC1 32610648 STAAINSUZDJSTM-UHFFFAOYSA-N 366.824 4.166 0 40 FIAB CC(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 32664953 AADKAFKIVUASIG-CVEARBPZSA-N 359.514 4.008 0 40 FIAB COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)c2cnccn2)cc1 32675907 GASALQSOMRPACK-UHFFFAOYSA-N 361.445 4.456 0 40 FIAB COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1 33809527 SGVQSRXQMBQQTO-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB COc1c(Br)cc(Br)cc1CN[C@@H](C)C(C)C 34991984 YUZOAVAKDVMCKS-VIFPVBQESA-N 365.109 4.354 0 40 FIAB C[C@H]1CC=CC[C@@H]1COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 36397242 LIOACNNRSKTPMZ-JKSUJKDBSA-N 374.458 4.013 0 40 FIAB Cc1cc(C(=O)N2CCC(C)CC2)c2c(-c3ccccc3F)noc2n1 36618371 KATXJIXFIBBJMV-UHFFFAOYSA-N 353.397 4.209 0 40 FIAB CN(Cc1ccccc1OC(F)(F)F)C(=O)NCCc1cccs1 40068754 VJDZBIRGGZKFPS-UHFFFAOYSA-N 358.385 4.031 0 40 FIAB CCCCN(CCCC)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 40103304 NPYWAUCZEGKYKF-UHFFFAOYSA-N 360.907 4.178 0 40 FIAB NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCCCC3 49072086 YKPDLYPZCGMXBO-UHFFFAOYSA-N 355.463 4.287 0 40 FIAB in-vitro CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1C 58157586 HHCWMDRIHLXOLY-UHFFFAOYSA-N 374.506 4.306 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)CCO1 61721997 DBRNPFMLIQKUQI-FQEVSTJZSA-N 362.473 4.377 0 40 FIAB Cc1nc(C)c(C(=O)N2CCC(c3noc4cc(F)ccc34)CC2)s1 72403391 QJMYZNKANIHBQP-UHFFFAOYSA-N 359.426 4.060 0 40 FIAB CCOc1ccc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc2c1 72414412 PRHYNGGHHZIIES-UHFFFAOYSA-N 355.459 4.025 0 40 FIAB O=C(c1ccc2c(c1)CCCC2)N1CCCN(Cc2ccccc2F)CC1 78724111 RWOSGBIYSLYIGU-UHFFFAOYSA-N 366.480 4.053 0 40 FIAB C[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 84697702 AJUSCAQPGDERPQ-BEFAXECRSA-N 370.880 4.212 0 40 FIAB CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc(Cl)c1 89484429 ZGXYTWYXZLGMDG-MRXNPFEDSA-N 369.273 4.104 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@@H](c1ccccc1Cl)N1CCCC1 104675583 VBEWJOORGVOINZ-LJCCNALRSA-N 360.929 4.419 0 40 FIAB CCO[C@@H]1C[C@H](N[C@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 108172343 WJYFAQYBMUXADQ-BYCMXARLSA-N 366.552 4.181 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 219528973 IVJDDMNLMFCGQI-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220696416 XNXUZHHHHQGGIP-CYBMUJFWSA-N 361.417 4.065 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2cccc(OC)c2)cc1 222892307 ACZYEUTYZZSHFK-NRFANRHFSA-N 355.478 4.164 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)s1 223483658 WTNQFTIEYISIIE-ZWKOTPCHSA-N 366.515 4.019 0 40 FIAB CC(C)Oc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 225066766 GQVFVZIWHDIUHG-UHFFFAOYSA-N 355.459 4.452 0 40 FIAB O=C(CCc1ccc(Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 225307862 STOSGWOAFGABOL-QPJJXVBHSA-N 368.908 4.130 0 40 FIAB COc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1F 225388016 LORKTCDOXFJYEB-UHFFFAOYSA-N 353.846 4.151 0 40 FIAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1OC 225789626 QDKPZZGYDUVRMQ-OAHLLOKOSA-N 374.506 4.075 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(-c3c(C)noc3C)cn2)cn1 257313613 UTIWVOYGMSATSM-IBGZPJMESA-N 362.433 4.034 0 40 FIAB O=C(Nc1cccc(F)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 408698272 OOAHUIYPBRFEGE-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB c1cc(-c2noc(-c3cc(-c4ccc5c(c4)CCO5)no3)n2)c2cc[nH]c2c1 546975503 KXZILNCKZLJTND-UHFFFAOYSA-N 370.368 4.475 0 40 FIAB CN1CCS/C1=C/C=C1/C=C(/C=C/C2=[N+](C)CCS2)c2ccccc21 685944503 SMYYEIXQLBUTGX-UHFFFAOYSA-N 367.563 4.331 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[C@@H]2N1c1ccc(F)cc1 1615161171 WCZSZKGZGOTMGJ-UZLBHIALSA-N 370.443 4.484 0 40 FIAB O=C(NC1(c2ccc(C(F)(F)F)cc2)CCCC1)c1cnc2[nH]cnc2c1 1625056066 IHPDZEGEOBKNIS-UHFFFAOYSA-N 374.366 4.176 0 40 FIAB COc1cccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 4480513 GICMNQCFHFYERH-GJZITSJHSA-N 354.277 4.490 0 40 FIAB O=C(NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)C1CCCCC1 4888492 ZUEIWVDHUXAMNM-UHFFFAOYSA-N 363.889 4.033 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=O)COc2ccccc2Cl)c1 6396891 OPAYYQWRVPVEOA-UHFFFAOYSA-N 360.841 4.486 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(CN(CC)CC)cc2)cc1 6941093 HOABTCLHZBRPGX-UHFFFAOYSA-N 369.534 4.218 0 40 FIAB Cc1cc(-c2nn3c(C(c4ccccc4)c4ccccc4)nnc3s2)no1 12390682 ALFRFLRQTKJPHN-UHFFFAOYSA-N 373.441 4.329 0 40 FIAB O=C(Nc1cccc(Cl)c1)/C(=C/c1ccco1)NC(=O)c1cccs1 851264 SLWPXIKRMGDHGL-PTNGSMBKSA-N 372.833 4.404 0 40 FIAB Cc1ccc([C@]2(C(F)(F)F)N=C3Sc4ccccc4N3C(=O)N2)cc1 844068 RFELBRCWUOGZAB-MRXNPFEDSA-N 363.364 4.402 0 40 FIAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)cc1 9064110 OBEGQVJDQBNNQU-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1)c1ccco1 23018476 DTGCCZAFVJUARN-ZWKOTPCHSA-N 364.376 4.413 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCc2cccs2)cc1 23483784 GXMZPLNALGHZQJ-UHFFFAOYSA-N 365.458 4.365 0 40 FIAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2F)CC1 1094475 ZOPCYDHZDCCJTF-UHFFFAOYSA-N 374.459 4.306 0 40 FIAB O=C(O)c1c(SCc2cccc(C(F)(F)F)c2)nc2sccn12 1384869 VZAWHGNCSHUNQJ-UHFFFAOYSA-N 358.366 4.405 0 40 FIAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)cc1Cl 12543291 LXDQKPKVLUTPBO-UHFFFAOYSA-N 369.223 4.221 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C)O[C@@H](C)C2 12564908 QZJDTZKEKRFYNV-GJZGRUSLSA-N 354.450 4.156 0 40 FIAB O=C(NCCc1cccc(Cl)c1)c1c[nH]c(=S)n1-c1ccccc1 12512959 CQXSMRSWZJCJFN-UHFFFAOYSA-N 357.866 4.161 0 40 FIAB Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 3270785 KKKXASVRDKWEIL-UHFFFAOYSA-N 369.424 4.006 0 40 FIAB COCc1ccccc1CNc1nc(-c2ccncc2)nc2ccccc12 26719425 FPESYKACLKCBRN-UHFFFAOYSA-N 356.429 4.450 0 40 FIAB C[C@@H](Cc1ccco1)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 48260401 XBEOEOZFLPBWGV-HNNXBMFYSA-N 357.413 4.251 0 40 FIAB COc1ccc2cc(CNC(=O)NCc3ccc(C)c(F)c3)ccc2c1 10206244 PNWUFGJVQQDKRN-UHFFFAOYSA-N 352.409 4.295 0 40 FIAB Cn1c(SCCOc2ccccc2Cl)nnc1-c1cccs1 2126883 OEOUFFBFFSWZCJ-UHFFFAOYSA-N 351.884 4.368 0 40 FIAB Cc1nc(NC(=O)c2cccnc2S)sc1Cc1ccc(F)cc1 58402257 HFDLSNMJJVKUOI-UHFFFAOYSA-N 359.451 4.117 0 40 FIAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)n1c(-c2cccs2)n[nH]c1=S 58425046 HDIWEFIMJLMFLC-MRVPVSSYSA-N 366.418 4.147 0 40 FIAB Cc1cc(C)c(C)c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1C 10560923 CCLXSIUCSNUFJD-UHFFFAOYSA-N 355.459 4.226 0 40 FIAB Cc1ccc(C(=O)/N=c2\sccn2CC(=O)c2ccccc2)c(Cl)c1 409207695 XQNKTJYVSQFZBY-VZCXRCSSSA-N 370.861 4.135 0 40 FIAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C)cc1 2393587 OMBCZNUWQHVFBY-CPJSRVTESA-N 361.422 4.472 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12757700 JQJNRTCWTUGESR-LLVKDONJSA-N 361.800 4.495 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)[nH]n1 28835825 NFNISVNJDZTGEV-UHFFFAOYSA-N 363.314 4.165 0 40 FIAB Cc1cccc(CN2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)c1 45743619 NANJCFMRJUDBEZ-UHFFFAOYSA-N 359.420 4.059 0 40 FIAB Cc1cccc(Nc2ccccc2C(=O)N2CCC3(CC2)OCCO3)c1C 11639868 UYVMGFWEEQCSOK-UHFFFAOYSA-N 366.461 4.026 0 40 FIAB COC[C@H](C)n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C 3420903 CPYKUCFOSMJJCB-AWEZNQCLSA-N 374.506 4.246 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 12987540 VMLJFJNCGLLQRW-GOSISDBHSA-N 373.541 4.327 0 40 FIAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2c(c1)COC2 64395673 WZKJAXZYGOSQIM-UHFFFAOYSA-N 351.324 4.387 0 40 FIAB COc1ccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 13627175 HQRMKHIDCUYFSB-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB CCOc1ncccc1C(=O)Nc1ncc(Cc2cccc(C)c2)s1 5173566 ZTTXXKMPHDEYGJ-UHFFFAOYSA-N 353.447 4.088 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C)c3C)n2)cc1 5180304 XPAFFXJDVIXYMK-UHFFFAOYSA-N 366.490 4.382 0 40 FIAB CCCCCn1nc(C(=O)NC2CCCCCC2)c2ccccc2c1=O 6284193 VCMWQWPHMKFXDY-UHFFFAOYSA-N 355.482 4.039 0 40 FIAB CCCCc1ccc2[nH]cc(CCNc3snnc3C(=O)OCC)c2c1 5244286 OPRZKBADWIETKK-UHFFFAOYSA-N 372.494 4.193 0 40 FIAB Fc1ccc(Cc2nc3n(n2)N=C(c2ccc(Cl)cc2)CS3)cc1 8715058 AUKUCLROBBHKIZ-UHFFFAOYSA-N 358.829 4.020 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCN(c2ccc(Cl)cc2)CC1 5331309 JTELBABEFWVNBQ-UHFFFAOYSA-N 350.249 4.348 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)cc1OC 14234437 DIZBJSNJRBONNB-UHFFFAOYSA-N 368.414 4.319 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1 14211219 XPLRFDHBJHUITO-UHFFFAOYSA-N 367.380 4.010 0 40 FIAB Cc1cc(/C=C2/SC(=O)NC2=O)cc(C)c1OCc1ccc(F)cc1 408849855 ZUZDHXZGSLGECO-CXUHLZMHSA-N 357.406 4.345 0 40 FIAB COc1ccc(CNC(=O)c2csc(Nc3ccc(C)cc3)n2)cc1 4675652 AHGBXZWSHCTYHX-UHFFFAOYSA-N 353.447 4.134 0 40 FIAB CCCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O 18266644 ONPBYZCAOXGLIB-UHFFFAOYSA-N 351.454 4.115 0 40 FIAB Cc1ccc(-c2nc(S[C@@H](C)C(N)=O)[nH]c2-c2ccc(C)cc2)cc1 5980886 HGMNWDHUJDPMCF-AWEZNQCLSA-N 351.475 4.326 0 40 FIAB Cc1ccccc1-n1c(C)nnc1SCc1nc(-c2ccsc2)no1 7189092 NKVXGUBBZTUOEN-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB COc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1OC(F)F 7155792 LSZBOEWFNOTUQD-WUXMJOGZSA-N 351.736 4.443 0 40 FIAB Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8915794 KHIQGIXEWLEYBJ-LJQANCHMSA-N 373.880 4.235 0 40 FIAB Cc1nnc(SCc2cc(-c3ccco3)on2)n1Cc1ccccc1 7328928 DBKAHVWKAFYMFC-UHFFFAOYSA-N 352.419 4.175 0 40 FIAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCC2)C12CCCC2 71282045 MNXVYNMKHLCOQQ-JXFKEZNVSA-N 368.521 4.396 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 21985155 VUHJZBBCZGVNDZ-MJKWMGEKSA-N 362.897 4.181 0 40 FIAB Cc1cc(C)c(C)c(Cn2c(CN3CCOCC3)nc3ccccc32)c1C 19939668 ARGBSLLUEWYTGV-UHFFFAOYSA-N 363.505 4.150 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C)n1C1CCCCC1 95456562 QDCBTDXQFVYGOQ-GOSISDBHSA-N 355.486 4.096 0 40 FIAB CCO[C@@H]1C[C@@H](N[C@@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 95466886 WJYFAQYBMUXADQ-NILFDRSVSA-N 366.552 4.181 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccn(COc2ccccc2Cl)n1 27972483 OVSKKBCCRMPOTD-CQSZACIVSA-N 367.836 4.164 0 40 FIAB O=C(NCCc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F 25183718 CORDRABAKZKSGK-UHFFFAOYSA-N 359.294 4.279 0 40 FIAB Cc1nc(NC2CCCCC2)sc1C(=O)NCc1cc(F)cc(F)c1 71326694 UWYFFVPRPXYUEX-UHFFFAOYSA-N 365.449 4.404 0 40 FIAB CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccccc1OC(F)F 31756749 MZTDTNWRUCYOGF-HNNXBMFYSA-N 353.340 4.073 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCC(C)CC1 38754732 IDHWMBRIRKGTKR-JOCHJYFZSA-N 368.521 4.235 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 219028782 JRDAZUAYPHFLFF-QZTJIDSGSA-N 363.457 4.499 0 40 FIAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 72215356 ATJSFVRKEDWLNC-QGZVFWFLSA-N 359.470 4.059 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1Cl 222770000 RCFMJWAEDYWHQX-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225362794 WBRXMHBQMSCHRQ-UHFFFAOYSA-N 365.260 4.267 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1C 224796844 ZOURJUYRMOSGBD-HNNXBMFYSA-N 367.445 4.066 0 40 FIAB COc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 44907115 CGNGFGIMFTZUNK-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21 96117107 JVHJGMOEQORZNW-GOSISDBHSA-N 355.413 4.038 0 40 FIAB CCn1ncc(CN[C@H](c2ccc(F)c(C)c2)c2ccccc2Cl)n1 585087134 RTFPFSHLNVJJHM-LJQANCHMSA-N 358.848 4.278 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1C 1776004167 LZUVYFPRVBDLLM-UHFFFAOYSA-N 353.871 4.465 0 40 FIAB COC(=O)c1nccc(S[C@H](c2ccccc2)c2ccc(F)cc2)n1 1612304077 FIACVYDABQOQNB-QGZVFWFLSA-N 354.406 4.284 0 40 FIAB Cc1cc(Nc2ncc(-c3ccccc3)s2)nc(C2CCNCC2)n1 585263264 TYUDFFXFEZSLNM-UHFFFAOYSA-N 351.479 4.119 0 40 FIAB Cc1cc(OCCCn2ccc3nc(C(=O)O)cc-3c2)cc(C)c1Cl 585266849 RVEIJTLDXBTWCF-UHFFFAOYSA-N 358.825 4.425 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)C(C1CC1)C1CC1 50399816 GNXYGIMJOPTMCU-UHFFFAOYSA-N 371.912 4.332 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1)NC1CC1 55448630 RCIAORSHCGOGKI-LSDHHAIUSA-N 369.387 4.278 0 40 FIAB COc1ccc(NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)cc1 823337 RJJMJKCTUURZAS-PGMHBOJBSA-N 372.424 4.105 0 40 FIAB C[C@H]1CCc2noc(C3CCN(C(=O)c4c(F)cccc4F)CC3)c2C1 12120320 FNWNFYDBUWUVEK-LBPRGKRZSA-N 360.404 4.097 0 40 FIAB O=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1Cl 12505252 OZTJJABGVGKIQS-UHFFFAOYSA-N 363.804 4.498 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1 13095706 ZDWRPGKNAZHQGL-UHFFFAOYSA-N 366.383 4.406 0 40 FIAB CCCCCN1C(=O)[C@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 13635145 WYFSPQWEIRVDOE-QHCPKHFHSA-N 359.473 4.094 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OC 15649608 HCBJEOFZIIGFAF-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB C1=NN(Cc2ccccc2)[C@H](N(Cc2ccccc2)Cc2ccccc2)N1 19329009 RFQIXRTUPCUJNK-QHCPKHFHSA-N 356.473 4.021 0 40 FIAB CCc1nc2ccccc2n1[C@@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 19718467 XPFOMOITRPHYPJ-INIZCTEOSA-N 373.460 4.043 0 40 FIAB Cc1ccn2c(/C=C/C(=O)O)c(-c3ccc(Br)cc3)nc2c1 2510943 VRMAQRIMGPMGBC-VOTSOKGWSA-N 357.207 4.170 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2N)ccc1Cl 226359234 IKZAQNSQNJYNIJ-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB COc1ccc2cc(C(=O)N3C[C@H](C)C[C@H]3c3cccnc3)c(C)nc2c1 655046430 LJLLTWQEDAJVGQ-SZNDQCEHSA-N 361.445 4.170 0 40 FIAB COc1ccc2c(CC(=O)N(C)Cc3c(F)cccc3Cl)coc2c1 5510291 TWGODOSWTJOITE-UHFFFAOYSA-N 361.800 4.435 0 40 FIAB Cc1sc2ncnc(SCC(=O)c3ccc4c(c3)OCCO4)c2c1C 781912 CPRDQTVXJQAXNC-UHFFFAOYSA-N 372.471 4.054 0 40 FIAB Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4)cc3C2=O)c1 1435543 NAJAORCGIAFRBA-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB Clc1cccc(CSc2nnc3ccc(-c4cccnc4)nn23)c1 5168460 BUUCCIRTDFSWLC-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c(C)c1 5269890 GXOBGHKKKDNGME-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB COc1cccc2sc(Nc3nc4cc5c(cc4s3)OCO5)nc12 4137808 MJZDMCCLCPXIIR-UHFFFAOYSA-N 357.416 4.387 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CCC2 4517616 IMJQQFKYLSDRCY-UHFFFAOYSA-N 361.488 4.388 0 40 FIAB Cc1nn2c(NCc3cccnc3)c3c(nc2c1-c1ccccc1)CCC3 12421715 NBRWOZJPNLEODY-UHFFFAOYSA-N 355.445 4.201 0 40 FIAB COc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nccs1)OCO2 19550648 BBVOMCLHEPYVGC-AWEZNQCLSA-N 374.487 4.016 0 40 FIAB Clc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1 20353700 WVIFGMIBRFVUGF-UHFFFAOYSA-N 364.880 4.042 0 40 FIAB Cc1cccc(NC2=NC(=O)[C@H](CC(=O)Nc3cccc(C)c3C)S2)c1 1622771 UDAKFWSHXSCEIC-KRWDZBQOSA-N 367.474 4.051 0 40 FIAB Cc1ccc2oc(-c3ccc(Cl)cc3)c(O[C@H](C)C(=O)O)c(=O)c2c1 1942124 DGUBFLHVMPTWJI-LLVKDONJSA-N 358.777 4.274 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 1943850 JEAXTDTYRVAPHE-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 2493243 WACBUTVPYOKSKG-HXUWFJFHSA-N 368.392 4.246 0 40 FIAB COc1ccc(C(O)(c2ccc(OC)cc2)C(F)(F)C(F)(F)F)cc1 2528684 TXJMFAMCXUVOIO-UHFFFAOYSA-N 362.294 4.137 0 40 FIAB COc1ccccc1Oc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 3267476 DKWBCHYIGHCGOO-OAHLLOKOSA-N 361.463 4.051 0 40 FIAB COc1cc(CCC(=O)Oc2cc(C)ccc2Cl)cc(OC)c1OC 3556401 WZVUWNPIKVNVQX-UHFFFAOYSA-N 364.825 4.212 0 40 FIAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 4140320 NDSMUUMNRYBCPP-CPJSRVTESA-N 361.422 4.410 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1cccnc1 4329785 DCBJVRAUFQRQOW-GOSISDBHSA-N 352.825 4.174 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)cc1 4355372 WVZFTKDYCLVEST-UHFFFAOYSA-N 363.442 4.077 0 40 FIAB Cc1cccc(-c2nc(C)c(CCNC(=O)Cc3ccc(F)cc3)s2)c1 4392504 AZBZGIIVWLLUHB-UHFFFAOYSA-N 368.477 4.467 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CCCC4)cc1 4735790 XFRMTIPOHFXURM-UHFFFAOYSA-N 371.458 4.429 0 40 FIAB CN(C)CCN(C(=O)c1cccs1)c1nc2ccc(Cl)cc2s1 5115308 XRLQWMCMIPNKNQ-UHFFFAOYSA-N 365.911 4.220 0 40 FIAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)NC1CCCCC1 5391923 FDFOUIXQCRYFFJ-NSHDSACASA-N 365.886 4.320 0 40 FIAB COc1ccc(Cl)cc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O 6324851 STQIQZSIEJJRIQ-NGOKJDCPSA-N 352.887 4.438 0 40 FIAB CCCCn1nc(C(=O)Nc2ccc(Cl)cc2F)c2ccccc2c1=O 6430004 SDOQMHOLRKFLHR-UHFFFAOYSA-N 373.815 4.241 0 40 FIAB Cc1ccc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1C 6503708 QXEMUIUEBVRONT-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB C[C@H]1Sc2ccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)cc2NC1=O 6863541 GNZPEOUNWWNPMC-CSNVJCEJSA-N 370.518 4.066 0 40 FIAB Fc1cc(Br)ccc1NC(=S)Nc1ccc2c(c1)OCO2 6971556 VFXVFTRQDCVZPM-UHFFFAOYSA-N 369.215 4.126 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 7408275 UXJFLIZQNNGALR-UHFFFAOYSA-N 362.376 4.022 0 40 FIAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 8257712 CSVNLNBTYQUWEO-LBPRGKRZSA-N 368.506 4.098 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)c1 8434150 QRLGEDWZXZZQFB-WOJBJXKFSA-N 374.440 4.011 0 40 FIAB CCOc1ccccc1-c1noc(CSc2nc3ccccc3n2C)n1 8709318 ADNCWHDMMBVGSF-UHFFFAOYSA-N 366.446 4.314 0 40 FIAB O=C(Nc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10923036 LGECRYPUHMGQHS-UHFFFAOYSA-N 353.372 4.282 0 40 FIAB Cc1ccc(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)cc1 11917092 ZJXJMMOIUZPQMG-UHFFFAOYSA-N 351.406 4.332 0 40 FIAB CCc1cccc2cc3c(nc12)OC(=O)N(Cc1ccc2c(c1)OCO2)C3 12236823 REHUXHFBIXYBTF-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB CC[C@H]1c2ccsc2CCN1Cc1ccc(OC)c(OCCOC)c1 12241221 QRVYKBPVWIKCML-KRWDZBQOSA-N 361.507 4.291 0 40 FIAB CCOC(=O)c1sc(Nc2ccc(C(C)=O)cc2)nc1C(F)(F)F 12394444 PMKREJKQQLQPCP-UHFFFAOYSA-N 358.341 4.285 0 40 FIAB Cc1ccc(Cn2nc(C)c3c(C(=O)O)cc(-c4ccccc4)nc32)cc1 12395942 FSFLHACUVGKBAB-UHFFFAOYSA-N 357.413 4.462 0 40 FIAB COc1ccc(-c2noc(CN3c4ccccc4CC[C@@H]3C)n2)cc1OC 12561298 IGRBLWQRUFSLNE-AWEZNQCLSA-N 365.433 4.095 0 40 FIAB CC(=O)c1c(C)[nH]c([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c1C 12680635 TXKLRAYTWVZYCA-MRXNPFEDSA-N 368.380 4.242 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nn1cnc2ccccc21 12791393 UQLCURMRVARJFL-UHFFFAOYSA-N 352.781 4.037 0 40 FIAB COc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 12977125 TWCZPVIKMSLYDQ-SFHVURJKSA-N 373.884 4.307 0 40 FIAB CC(C)n1ncc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)cnc21 13000755 QHQBOQAXFDKIDI-UHFFFAOYSA-N 366.465 4.327 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 13649225 ZWBKCCRGTPJKOO-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB S=C(c1ccc(Cl)cc1)N1CCN(c2nsc3ccccc23)CC1 13693691 AOPAYWHQOGKEGT-UHFFFAOYSA-N 373.934 4.447 0 40 FIAB O=S(=O)(Cc1cccc(Cl)c1)NCC1(c2cccs2)CCCC1 13804608 SDAUROMCLREGGG-UHFFFAOYSA-N 369.939 4.333 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)c2cccnc12 15840786 MKGJMHZOBKRITI-ZDUSSCGKSA-N 354.381 4.179 0 40 FIAB CCCn1c(=O)n(CCC(=O)Nc2ccc(C)cc2Cl)c2ccccc21 16202140 DLHHWZPPAHYYSQ-UHFFFAOYSA-N 371.868 4.204 0 40 FIAB O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 16477814 HQLGKXQVIAUCIS-HXUWFJFHSA-N 371.436 4.372 0 40 FIAB CCCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 18210418 FUPYVWBFPLDBKE-UKRRQHHQSA-N 366.387 4.073 0 40 FIAB aggregator O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1Cc1ccccc1Cl 21907171 KBOHICIOPRJNBI-UHFFFAOYSA-N 364.836 4.247 0 40 FIAB COc1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 22621145 QSTULYRIYIKOEZ-UHFFFAOYSA-N 352.390 4.131 0 40 FIAB C[C@H]1CCCCN1c1c(S(=O)(=O)c2ccccc2)cnc2ccccc12 23643458 VEEPSNCMIYHREE-INIZCTEOSA-N 366.486 4.446 0 40 FIAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 24901453 VERZLKPIVMRYDN-UHFFFAOYSA-N 364.405 4.006 0 40 FIAB C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 26959479 RKAITYXQBVEEOA-CQSZACIVSA-N 356.853 4.464 0 40 FIAB CCN(C(=O)c1cc(C)nc2onc(C)c12)c1cccc(Br)c1 27679461 NYRKXJKJHRUAPC-UHFFFAOYSA-N 374.238 4.269 0 40 FIAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N1CCc2ccccc2C1 28303497 KOXLZAUEKQDDNG-GFCCVEGCSA-N 366.408 4.166 0 40 FIAB O=C(Nc1ccccc1)Nc1cnn(COc2ccc(F)cc2Cl)c1 28306129 FDANHMKWNIOFAX-UHFFFAOYSA-N 360.776 4.356 0 40 FIAB Cc1cc(S(=O)(=O)NC2CCCCCC2)c(C)cc1Br 31903802 GENLSPITWCUCSN-UHFFFAOYSA-N 360.317 4.067 0 40 FIAB NC(=O)c1cccnc1SC(c1ccc(F)cc1)c1ccc(F)cc1 32769757 DPBXDXOJTZDEMC-UHFFFAOYSA-N 356.397 4.340 0 40 FIAB CCOc1ccc2c(c1)cc(C(=O)NCCOc1ccc(Cl)cc1)n2C 35476042 MPXHKZGHOCHLMF-UHFFFAOYSA-N 372.852 4.039 0 40 FIAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 36635584 LLYCMVINQXNGSZ-INIZCTEOSA-N 363.244 4.300 0 40 FIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(C)c(Cl)c2)cc1C 38486437 AVPXWPNCFACEGA-UHFFFAOYSA-N 355.829 4.379 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1 41302998 SEALVIOWTOPQAE-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB Nc1nc(Cl)cc(NCc2ccc(-c3nc4ccccc4s3)o2)n1 45026190 IKHNRESSEOXTBW-UHFFFAOYSA-N 357.826 4.194 0 40 FIAB CS(=O)(=O)c1ccccc1NC(=O)N[C@@H](c1ccccc1)C1CCCC1 47397161 WANXCTREOGFOAB-IBGZPJMESA-N 372.490 4.143 0 40 FIAB NC(=O)c1ccc(CN(Cc2cc3ccccc3nc2Cl)C2CC2)cc1 48343513 YEWPFMTTXLCKRH-UHFFFAOYSA-N 365.864 4.152 0 40 FIAB Cc1ccccc1[C@@H]1CCCN1C(=O)CCCNC(=O)NC1CCCCC1 48356566 RCODAZRMMYCPMJ-FQEVSTJZSA-N 371.525 4.071 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)c(Br)c2C=O)cc1 67171995 OEMWMRNELHHBMB-UHFFFAOYSA-N 357.207 4.123 0 40 FIAB O=C(NCc1ccc2ccccc2c1)Nc1nnc(-c2ccccn2)s1 69070465 IIXCXKCXGVYMGT-UHFFFAOYSA-N 361.430 4.075 0 40 FIAB Cc1ccc2nc(C3CN(C(=O)Cc4cccc5ccccc45)C3)[nH]c2c1 75156453 XSSWECVXDUNOLJ-UHFFFAOYSA-N 355.441 4.193 0 40 FIAB CCN(CC)CCOc1ccccc1NC(=O)c1cnc(C)cc1Cl 89968993 SSGIPBMPJBSTNL-UHFFFAOYSA-N 361.873 4.016 0 40 FIAB COC[C@@H](Cc1ccccc1)N[C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 95983708 WZWRUHLLHMZFMJ-YLJYHZDGSA-N 367.468 4.228 0 40 FIAB CC(C)(C)OC(=O)NCC1(Cc2ccc(C(F)(F)F)cc2)CCNCC1 98213748 YNJPMQQMPMWQCI-UHFFFAOYSA-N 372.431 4.142 0 40 FIAB O=C(NCCc1cccs1)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100183988 JYGPXRISSXNJTJ-SCQRFTTHSA-N 368.340 4.141 0 40 FIAB S=C(c1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 106113937 MTQZTIWSSGACSO-UHFFFAOYSA-N 365.329 4.487 0 40 FIAB CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cnn([C@@H](C)C3CC3)c1)CCC2 189729497 MQSYTCPDRGGZOS-LRDDRELGSA-N 373.526 4.414 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222713072 RMEIPNPOAKUEHR-FUHWJXTLSA-N 369.461 4.109 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)s1 223601988 BRYPOHGFSZLBFM-GFCCVEGCSA-N 371.915 4.490 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)COc1cccc2c1CCCC2 225027393 JIRMTJPLJINSAX-NRFANRHFSA-N 365.473 4.147 0 40 FIAB CC[C@H](CNC(=S)Nc1cccc(C(=O)OC)c1C)Cc1ccccc1 225631658 CMJCIRBCFOUDES-INIZCTEOSA-N 370.518 4.337 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1snnc1-c1cccs1 225789165 IVDZOSVWYTUJNI-UHFFFAOYSA-N 351.840 4.181 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)s1 225874583 AYVCAHZNSYEIHE-CYBMUJFWSA-N 365.524 4.453 0 40 FIAB Cc1nc(C2CCN(C(C)C)CC2)cc(N2CC3(CCCCC3)OC2=O)n1 257267385 MHBUSULFPBMKDK-UHFFFAOYSA-N 372.513 4.032 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 260492673 IAUGYJAESYPHNB-OALUTQOASA-N 360.542 4.348 0 40 FIAB CCN1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2)CC1 408576005 PFRQLBSUPGCDHQ-UHFFFAOYSA-N 374.937 4.232 0 40 FIAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(F)c2)c1 408616163 WQQPMEACSHEWQZ-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CCc1s/c(=N\C(=O)c2cccs2)n(C)c1-c1ccc(OC)cc1 409196905 ZYVSBOALUVLWIX-HNENSFHCSA-N 358.488 4.127 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCC(C)C)cc3)C2=O)cc1 409245880 AJADFTSXDNMQNW-UDWIEESQSA-N 364.445 4.123 0 40 FIAB COc1ccc(-c2ccc(NC(=O)C3CCC(=O)CC3)nc2)cc1Cl 548745771 HZQPBSRHXAKHNL-UHFFFAOYSA-N 358.825 4.108 0 40 FIAB O=C(Cn1cc(Cl)cn1)Nc1cccc(Cl)c1Oc1cccnc1 561713231 VYQLFCHQUZOISZ-UHFFFAOYSA-N 363.204 4.016 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)/C=C/c2cccs2)c2ccsc2)n1 575613386 GRAZZQXTCNAGME-RTRPANQVSA-N 357.504 4.042 0 40 FIAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)/C=C/c1ccccc1 575620334 JSDMQIFLHMOQBY-AYJWMTRPSA-N 357.500 4.423 0 40 FIAB CCCOc1cccc2c(N3CC[C@]4(C3)C(=O)Nc3ccccc34)ccnc12 684892504 RLMQPGOAVDUETC-HSZRJFAPSA-N 373.456 4.124 0 40 FIAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(C(=O)OCCOC)cc12 1889213702 HXBBPPXPYOOSBZ-UHFFFAOYSA-N 369.392 4.243 0 40 FIAB Cc1sc2nc(COC(=O)c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C 2638734 UVWNRPYHGFKTEY-UHFFFAOYSA-N 370.474 4.256 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NC[C@@H](O)c3ccc(C)o3)c(F)c2)cc1 78869994 NHOLKRWRDGFYFT-LJQANCHMSA-N 353.393 4.166 0 40 FIAB Cc1cccc([C@H]2C3=C(O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)c1 102585887 GXVJGAFAWRCNIU-BTYIYWSLSA-N 372.428 4.357 0 40 FIAB CCc1c(C)nc2cc(-c3cccs3)nn2c1NCC(C)(C)CN(C)C 4980829 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4.367 0 40 FIAB Cc1nc(-c2ncccn2)sc1C(=O)N(C1CCC(C)CC1)C1CC1 55197033 GEWAPUIXOQQFEP-UHFFFAOYSA-N 356.495 4.092 0 40 FIAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C)c(F)c1)O[C@H](C)C2 12523464 GDBQHDLLNHIUOP-ZIAGYGMSSA-N 372.440 4.295 0 40 FIAB COc1ccc(NC(=O)C(F)(F)Oc2ccc(Cl)cc2C)cc1OC 1400355 AJJAXSVFARRHIU-UHFFFAOYSA-N 371.767 4.276 0 40 FIAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)NCc1ccc(Cl)cc1 12556622 FMBSIMNWZAWFQW-GFCCVEGCSA-N 359.882 4.024 0 40 FIAB C/C(=C/C(=O)Nc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 35240595 RLDFWCMFPTXJHS-ICFOKQHNSA-N 369.896 4.000 0 40 FIAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3284655 HRTCBBPBHDUFJX-LLVKDONJSA-N 352.217 4.486 0 40 FIAB COc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cc1Cl 3282456 XJDARQJDXGGRRJ-QPJJXVBHSA-N 356.603 4.356 0 40 FIAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C)cc1)C3 20632498 AFSWBGINOUPOGV-HNNXBMFYSA-N 366.490 4.238 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(I)cc1 1930589 MFFCLSMVASEQIG-XCVCLJGOSA-N 367.161 4.082 0 40 FIAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 20796366 JAMLRQVQWXGTJT-LBPRGKRZSA-N 372.881 4.193 0 40 FIAB Cc1cc([C@H]2CCCN2CC(=O)N(c2ccccc2)C2CCCCC2)on1 48274963 CORVUDQDWLRZTK-HXUWFJFHSA-N 367.493 4.486 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)c1cccc(Cl)c1Cl 10234954 AWNWELJPDJHVBE-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB COc1cccc(NC(=O)[C@H](Sc2nnc(C)s2)c2ccccc2)c1 3389046 QVJONTDDEOPZLY-MRXNPFEDSA-N 371.487 4.327 0 40 FIAB COc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1OCc1ccccc1 12754910 JZEVLGIRSCPREN-CALCHBBNSA-N 353.462 4.392 0 40 FIAB CCc1ccc(-c2cc(C(F)(F)F)nc(NC3CCN(C)CC3)n2)cc1 36613928 QQGYJJOUOHCLMH-UHFFFAOYSA-N 364.415 4.231 0 40 FIAB COc1cccc([C@@H]2C[C@H](c3cccc4ccccc34)n3nc(N)nc3N2)c1 2403567 LAKRUXUMMKVJSU-VQTJNVASSA-N 371.444 4.168 0 40 FIAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C(C)(C)C 11566474 ULTRPQVOKPOWCC-UHFFFAOYSA-N 355.544 4.486 0 40 FIAB Cc1cc(NCC(=O)Nc2ccccc2Cl)ccc1Br 3486988 AWHNXFLDWZDSAS-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 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CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 20632638 DTOQDEJQLQQHEU-LBPRGKRZSA-N 372.881 4.193 0 40 FIAB CC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccc2c(c1)OCO2 67350007 KVIKMRXZFIBZMN-UHFFFAOYSA-N 355.419 4.038 0 40 FIAB CC[C@H](NC(=O)N1CCCc2cc(OC)ccc2C1)c1ccc(OC)cc1 517743575 IZALBMSDLFLDCJ-NRFANRHFSA-N 368.477 4.313 0 40 FIAB CCCc1nc(-c2noc([C@H]3CCN(c4ccccc4Cl)C3)n2)co1 564457874 YBFSJUWJRRVDHT-LBPRGKRZSA-N 358.829 4.324 0 40 FIAB CCn1ccnc1CN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72350276 WCFDUIUKTRFXAK-QGZVFWFLSA-N 364.468 4.484 0 40 FIAB Cc1nc2cc(NC(=O)CN(C)c3nc4ccccc4s3)ccc2s1 70972991 YZPMWOXQFUJBAU-UHFFFAOYSA-N 368.487 4.289 0 40 FIAB CCOC(=O)[C@@H](C)Oc1ccc(CNC2CCCCCCC2)cc1OC 36611751 JUUYOLSVNPHHBX-MRXNPFEDSA-N 363.498 4.228 0 40 FIAB CSCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)Nc1cccc(C)c1C 41156300 PXBGXXHTMPTLRY-LJQANCHMSA-N 370.518 4.102 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224868668 OHIHOGRNGNLELP-VQIMIIECSA-N 371.477 4.355 0 40 FIAB 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CC(C)C(C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 2274609 LRRQUJXTVKRTKX-IAGOWNOFSA-N 352.478 4.013 0 40 FIAB CCc1nc2sc3c(NCCCN(C)C)ncnc3c2c2c1CCCC2 2275228 DMMVKQPVKCSXSC-UHFFFAOYSA-N 369.538 4.044 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(OC)c1 2278001 AXHYVPAVARRPAV-OAQYLSRUSA-N 360.413 4.475 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)c1 2430277 MLBJZMXRYANYFH-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB COc1ccc(CCC(=O)Nc2ccn(Cc3ccccc3Cl)n2)cc1 2764380 JXYBFBHWRFUHEV-UHFFFAOYSA-N 369.852 4.165 0 40 FIAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 3246884 WNSREXTXDBRVHS-XCVCLJGOSA-N 367.298 4.040 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nncs1)c1ccccc1 3389430 XRABQHRVVGKIGV-MRXNPFEDSA-N 371.487 4.327 0 40 FIAB Cc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 3425166 VFGRJFXCUBOWAG-UHFFFAOYSA-N 368.233 4.038 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c1C 3482285 ZXRAAPZAVZRGKZ-UHFFFAOYSA-N 374.440 4.136 0 40 FIAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1Cl 4066392 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Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 7928341 FCJFPUOKWPYJOI-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c(C)c1 7929245 ISYYANFSZCEKNV-LJQANCHMSA-N 359.425 4.415 0 40 FIAB Cc1nc2c(=O)n(Cc3ccccc3C)nc(-c3cccs3)c2s1 8956030 IIJCYTOSROMILN-UHFFFAOYSA-N 353.472 4.247 0 40 FIAB CC[C@H](Sc1nnc(-c2ccccc2C)n1C)C(=O)Nc1ccccc1 9479310 OGWMEDCSSGEAPI-KRWDZBQOSA-N 366.490 4.300 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1 9698930 REAZXBVOFZPXBG-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB Cc1csc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)n1 10236825 UXSRQMJHUAZJEV-UHFFFAOYSA-N 372.450 4.148 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842077 QZSLDRQYWJPHNN-CYBMUJFWSA-N 371.868 4.436 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)on1 10956183 CITMGFDUSOTPAX-UHFFFAOYSA-N 365.361 4.269 0 40 FIAB CC1(C)OC(c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)OC1(C)C 12402049 DQYIJBUZGOSMTI-UHFFFAOYSA-N 369.417 4.270 0 40 FIAB biogenic,in-vitro O=C(NCc1cccc(Cl)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 12608325 IYQMUCHFFIFFGP-UHFFFAOYSA-N 361.829 4.257 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)ccc21 12873057 ALSXGZSRCCWJHX-UHFFFAOYSA-N 364.376 4.247 0 40 FIAB COc1ccc(Br)cc1/C=C/C(=O)NC1CCCCCC1 13137381 NZTQLJDHOCEVRR-DHZHZOJOSA-N 352.272 4.310 0 40 FIAB Cc1cc(C)n([C@H](C(=O)NCC2(c3ccccc3Cl)CC2)C(C)C)n1 19659576 LRSVALMKGJPROA-SFHVURJKSA-N 359.901 4.198 0 40 FIAB CCn1c(C)nc2cc(NC(=O)C[C@@H](C)n3cnc4ccccc43)ccc21 19717446 VQQGZFVPNWQQRZ-CQSZACIVSA-N 361.449 4.304 0 40 FIAB COc1cccc([C@@H]2SCC(=O)N2c2nc3ccc(OC)cc3s2)c1 19927224 VIQLLVLKJGKLTB-KRWDZBQOSA-N 372.471 4.092 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20144311 FKDJCJOYVXFHIU-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB Cc1cccc(OCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 20408381 IQESHKRECKBQCW-UHFFFAOYSA-N 360.409 4.467 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)OC)c1 20460082 OOOARTPQSHWBTI-HXUWFJFHSA-N 363.413 4.423 0 40 FIAB Cc1ccc(-c2ccnc3c(C(=O)NCc4ccc(F)cc4)cnn23)cc1C 21658501 WMMCSXRDWGKEBY-UHFFFAOYSA-N 374.419 4.082 0 40 FIAB Cc1cccc(OCCN(C)C(=O)CCCc2c[nH]c3ccccc23)c1 24215509 LFLKLEGEKXHCLV-UHFFFAOYSA-N 350.462 4.336 0 40 FIAB O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)c1ccco1 24972715 OJKNKKUZCSLFNQ-UHFFFAOYSA-N 368.336 4.478 0 40 FIAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc(Br)cn1 28224157 KNKKVWHQDPIDLQ-SSDOTTSWSA-N 363.042 4.152 0 40 FIAB Cn1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)n1 29548597 VBLQYFGTZAKDJK-UHFFFAOYSA-N 362.364 4.134 0 40 FIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccccc1Br 32817574 VBFUHBMXTGCRPR-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB Cc1nc(C2CC2)nc2sc(-c3nc(-c4cccs4)no3)c(N)c12 32931812 QCXAZZDHDXTQNQ-UHFFFAOYSA-N 355.448 4.238 0 40 FIAB O=C(Nc1cccc2ccccc12)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 34301109 OADIPBJFXUGWRV-HXUWFJFHSA-N 373.412 4.139 0 40 FIAB COc1c(Br)cc(Br)cc1CN[C@H](C)C(C)C 34991983 YUZOAVAKDVMCKS-SECBINFHSA-N 365.109 4.354 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2F)cc1Cl 36621086 NJELNNUBNQSFQW-INIZCTEOSA-N 369.845 4.014 0 40 FIAB O=C1C[C@@H](c2noc(-c3cccc(Cl)c3)n2)CN1c1ccc(F)cc1 44420086 RFXBTHMADIORSR-GFCCVEGCSA-N 357.772 4.050 0 40 FIAB Cc1cc(C)cc(OCCC(=O)Nc2cc(-c3nnco3)ccc2C)c1 47320162 JTNPMRRUXXHZOK-UHFFFAOYSA-N 351.406 4.069 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CCCCCC2)nc1 48261560 CUCWQQRXSQRPRD-KRWDZBQOSA-N 369.534 4.259 0 40 FIAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)c2)oc1C 54235222 MIMIPNVBRJXPKU-IBGZPJMESA-N 361.401 4.090 0 40 FIAB COc1ccc(OC)c(NC(=O)CN[C@@H](C)c2cccc3ccccc23)c1 57369662 WHDLDMFWGDOQPP-HNNXBMFYSA-N 364.445 4.146 0 40 FIAB CC(C)(NCc1nc(-c2ccco2)no1)c1cccc(C(F)(F)F)c1 57846973 FSYBETRUIFJEDR-UHFFFAOYSA-N 351.328 4.373 0 40 FIAB O=c1c(Cl)c(Cl)cnn1CN(Cc1ccc2ccccc2c1)C1CC1 57993002 CXACPKDTZBFXBL-UHFFFAOYSA-N 374.271 4.325 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(-n2ccc(C)n2)c1 58014221 VKPBWUHIEHOBRO-GOSISDBHSA-N 351.475 4.392 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C)Cc1cccc(Cl)c1Cl 58136078 WEWANZCLLGHNHR-JTQLQIEISA-N 354.281 4.106 0 40 FIAB Fc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c2ncccc12 58391341 BGLFZJMDFRCRLL-VMPITWQZSA-N 361.464 4.205 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccs1 58406649 KDOYASUZORICQU-GOSISDBHSA-N 373.522 4.494 0 40 FIAB CCCCOc1ccc(C(=O)NC2(c3nc(CC)no3)CCCCC2)cc1 65257841 WHOJYOGOVSAKGT-UHFFFAOYSA-N 371.481 4.400 0 40 FIAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(CC(C)C)C1 72330490 GWFOARLPBFFKPW-KNQAVFIVSA-N 365.521 4.229 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 72331288 SZVXNYXTTOKTBO-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)cc1 72349146 DLUPDCSLEFKZRK-LJQANCHMSA-N 373.456 4.172 0 40 FIAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 72350445 DKXRPALCRGEKAM-SFHVURJKSA-N 361.445 4.373 0 40 FIAB COc1cccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1 72390081 ODVDVFNUBJSFBH-HNNXBMFYSA-N 355.463 4.186 0 40 FIAB CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)C1(C)C 74383755 ZDUZOGXXGBEYNL-SOIKWTOOSA-N 371.481 4.248 0 40 FIAB CN(Cc1nc2c(s1)CCCC2)C(=O)c1ccc(N2CCCCC2)cc1 83011583 XWOWFNHMPHDKFE-UHFFFAOYSA-N 369.534 4.284 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@H](CSc2cccc(Br)n2)C1 83323394 RSINZTBCANNEPQ-NSHDSACASA-N 373.316 4.193 0 40 FIAB COCCN(Cc1ccoc1)C(=O)C1(c2ccc(Cl)cc2)CCCC1 85474359 SIPMCWTZWMOYRU-UHFFFAOYSA-N 361.869 4.420 0 40 FIAB CCCNC(=O)[C@@H]1c2ccccc2C(=O)N([C@@H](C)CC)C12CCCCC2 95472069 UMVVVNFHOKRPPJ-LPHOPBHVSA-N 356.510 4.254 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSc1ccccc1 95482223 YPGXNKKBOXZMCJ-UHFFFAOYSA-N 373.865 4.141 0 40 FIAB O=C(Nc1cccc2cccnc12)C(=O)N1CCCCC[C@@H]1c1ccccc1 95954143 HXUUWWXKRZIGMK-HXUWFJFHSA-N 373.456 4.317 0 40 FIAB O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCc2cnccc21 95960449 ZKGDTCDWMRYLKP-UHFFFAOYSA-N 352.340 4.355 0 40 FIAB CC1(C)CC(=O)N(CCCC(=O)Nc2cccc(F)c2)c2ccccc21 96183630 KLXKONGZPINLGF-UHFFFAOYSA-N 354.425 4.259 0 40 FIAB CCOc1ccc(C(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 100423456 JCSMQIDIYGKAQF-NHCUHLMSSA-N 364.489 4.011 0 40 FIAB CCCCn1cnc2c(c(C)c(C)n2-c2nc3ccccc3s2)c1=N 101491068 SBCRDUMLDZZDDC-UHFFFAOYSA-N 351.479 4.333 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718034 GTSIGZBQYKJPJB-OAHLLOKOSA-N 356.853 4.455 0 40 FIAB CC1(C)O[C@@H]2[C@@H](O1)[C@@H]1C[C@@H]2[C@@H]2[C@@H]1[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104330431 IZPNWEIGSKDHKD-LPDIFXEFSA-N 370.103 4.450 0 40 FIAB CO[C@@H](CNC(=O)c1ccccc1Br)c1ccccc1Cl 128327807 CVPZCKZRUQKIQJ-HNNXBMFYSA-N 368.658 4.220 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(C)c(C)c1)CC(C)(C)O2 218809476 WGXMSAWQEJQMLS-LJQANCHMSA-N 353.462 4.273 0 40 FIAB Cc1ccccc1[C@@H]1CCN(C(=O)Cn2cnc3ccccc32)CCS1 219266527 BJQFEQREJAERQW-FQEVSTJZSA-N 365.502 4.052 0 40 FIAB O=S(=O)(Cc1c(F)cccc1Cl)NCc1cccc2ccccc12 222860479 XQVJPGFFLZILBF-UHFFFAOYSA-N 363.841 4.252 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)COc1ccc2c(c1)CCCC2 223830853 SFJJYCZGMSVVGD-UHFFFAOYSA-N 367.489 4.263 0 40 FIAB COc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cn1 223983198 DPIPFHVAOAJNBB-UHFFFAOYSA-N 359.470 4.028 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1C 224423060 ORXAGBFNRWUQCX-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCOc1cccc(N(CC)S(=O)(=O)c2ccc(SC)cc2)c1 224992665 BHHABEYZHCUQPA-UHFFFAOYSA-N 351.493 4.022 0 40 FIAB Cc1ccccc1-c1noc(CCC(=O)NCc2cccc3ccccc23)n1 225817294 TZUCOZQXCPPSRK-UHFFFAOYSA-N 371.440 4.447 0 40 FIAB CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c(N)c1 226349898 XHFGIFXUPRXHFN-UHFFFAOYSA-N 355.221 4.235 0 40 FIAB C[C@@H](CCN1CCc2nc([C@H]3CCCCN3C)ncc2C1)c1ccccc1 248160977 XMIGJZFWLPJIND-PGRDOPGGSA-N 364.537 4.185 0 40 FIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]2C(=O)O 253608003 PQZVPLJDBHJGNI-HOJOPBEUSA-N 366.244 4.401 0 40 FIAB O=C(c1ccccn1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257286880 PNLXVULDWRIWMN-GOSISDBHSA-N 367.836 4.291 0 40 FIAB COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccc(C)cc2)nn1 408527792 IACBITRGTZVKME-UHFFFAOYSA-N 354.793 4.333 0 40 FIAB COC(=O)c1ccc(CSc2nc3c(c(C(F)(F)F)n2)CCCC3)o1 408554534 TUXKYRONYYRKCM-UHFFFAOYSA-N 372.368 4.046 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1csc2ccccc12 575621849 WCTSPOLKYHKECN-QGZVFWFLSA-N 360.429 4.212 0 40 FIAB CO[C@H](CNC(=O)c1ccccc1Br)c1cc2ccccc2o1 669933116 GVSIIEBCGFAPTD-QGZVFWFLSA-N 374.234 4.313 0 40 FIAB CN(C)C(=O)c1sc2ncccc2c1C1CCN(C2CCCC2)CC1 1615155781 QJBOMPAYDMHGMP-UHFFFAOYSA-N 357.523 4.120 0 40 FIAB Nc1nc2n(n1)[C@H](c1cccc3ccccc13)C[C@@H](c1ccc(F)cc1)N2 803144 RVIOFLYRWVPIOP-OALUTQOASA-N 359.408 4.299 0 40 FIAB O=c1/c(=C/c2ccco2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 983979 YNDJNHQLLTYGME-JXAWBTAJSA-N 370.433 4.231 0 40 FIAB COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC 1386782 MCNVTWIIWNZMGB-UHFFFAOYSA-N 360.211 4.153 0 40 FIAB CCCCCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C)cc1)CC2=O 2276704 NNXUZKXUMGQNOJ-MRXNPFEDSA-N 351.450 4.217 0 40 FIAB CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](O)c1ccccc1 2319898 MLFXDCMKDYVWBM-IZHWHUGBSA-N 366.222 4.013 0 40 FIAB O=C(Cc1ccccc1F)Nc1nnc(SCc2ccccc2)s1 2651564 HMPIWNQUKFFHAZ-UHFFFAOYSA-N 359.451 4.151 0 40 FIAB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1F 3437954 LQQFUHBNZJYSJU-HNNXBMFYSA-N 363.388 4.463 0 40 FIAB CC(=O)CCc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3452708 CLTSCTXDZUTLDA-UHFFFAOYSA-N 365.351 4.245 0 40 FIAB COc1ccc(N2C(=O)C(F)(F)[C@H]2c2ccc(Br)cc2)cc1 4070093 LAXNFGYTXAFZOZ-CQSZACIVSA-N 368.177 4.181 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4082263 VMDWSMDCEKVFLR-KBGGNQAYSA-N 374.521 4.201 0 40 FIAB biogenic COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccco3)sc2c1 4273169 GLYPFTQYSLIROL-UHFFFAOYSA-N 365.414 4.140 0 40 FIAB COc1cccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)c1 4880785 DSTSWVKRNJPWKK-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB CSC1=N[C@@H](c2ccccc2)N2C(SC)=N[C@@H](c3ccccc3)N12 4898547 AHAGRHISYLXMIM-HZPDHXFCSA-N 354.504 4.368 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)o2)cc1 5863452 DQBVIYHWYJZGIF-OAHLLOKOSA-N 367.474 4.184 0 40 FIAB CCc1nc2ccccc2n1C(=O)COc1ccc(Br)cc1 5878818 CIHOQPHMUIFYCX-UHFFFAOYSA-N 359.223 4.080 0 40 FIAB Cc1cc2oc(=O)cc(CSC3=NCC(C)(C)CN3)c2cc1C(C)C 6881349 DIJLVGJDLSXVSR-UHFFFAOYSA-N 358.507 4.443 0 40 FIAB O=C(CNc1ccc(Br)cc1)N1CC=C(c2ccccc2)CC1 7115692 PBYVTTGBBGYOJD-UHFFFAOYSA-N 371.278 4.177 0 40 FIAB CCCc1nnc(S/C(=C\c2ccc(Cl)cc2Cl)C(=O)O)[nH]1 7342277 ITFAWFMAMIAUCH-WDZFZDKYSA-N 358.250 4.282 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1C(C)C 7360643 JUDAZYHOQVFTSD-UHFFFAOYSA-N 351.493 4.341 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc3nc(C)sc3c2)c(OC)c1 7670320 VCFPQORYFZJALU-WEVVVXLNSA-N 354.431 4.274 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 8395305 DIRUDYHYJKHFLT-GOSISDBHSA-N 374.868 4.132 0 40 FIAB CC[C@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 8428737 AICVPLFFMRZOSX-INIZCTEOSA-N 363.461 4.199 0 40 FIAB Nc1c(-c2ccc(Br)cc2)cnc2c(-c3ccccc3)cnn12 8569785 ALRHTGVSOUFOEK-UHFFFAOYSA-N 365.234 4.408 0 40 FIAB CCN1CCC(Nc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1 9184072 GFCZHXWABSYMTJ-UHFFFAOYSA-N 357.457 4.342 0 40 FIAB CC(C)c1ccccc1-n1ccnc1S[C@H](C(N)=O)c1ccccc1 10271501 OWNZNRKZDWVACV-SFHVURJKSA-N 351.475 4.314 0 40 FIAB CC1CCN(CCCNC(=O)c2cc3c(ccc4ccccc43)o2)CC1 10540893 SNYXEBARCRXJKY-UHFFFAOYSA-N 350.462 4.438 0 40 FIAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)C2CCCC2)cs1 10809049 FERWTDFGMHWKGG-UHFFFAOYSA-N 358.463 4.370 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)Nc1cccc(N2CCCC2=O)c1 11837360 APRMUNJDYQVRBS-ZHACJKMWSA-N 372.371 4.067 0 40 FIAB C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccccc1Cl 12924529 JDMYJVDKQCAHJG-BDJLRTHQSA-N 360.866 4.020 0 40 FIAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(OCC)cc1 13597031 MYROAJZYPAZDOJ-UHFFFAOYSA-N 364.445 4.260 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1Cc2ccccc2O1 15588274 QHFYRGPPXJKYAQ-KRWDZBQOSA-N 365.351 4.436 0 40 FIAB CCCOc1ccc(NC(=O)Cc2ccc(OC)cc2)c2cccnc12 15841037 HSUGUIJQVQORTK-UHFFFAOYSA-N 350.418 4.213 0 40 FIAB O=C1OC(c2ccco2)=N/C1=C1/C=C(c2cccs2)Oc2ccccc21 18066881 PWUCHVPNIVQWEY-AQTBWJFISA-N 361.378 4.489 0 40 FIAB Cc1ccc([C@H](O)CN2CCc3onc(-c4cccc(F)c4)c3C2)c(C)c1 19132533 MJCAUBXSJYOKQJ-HXUWFJFHSA-N 366.436 4.189 0 40 FIAB Cc1cc(C)n([C@@H](C(=O)NCC2(c3ccccc3Cl)CC2)C(C)C)n1 19659578 LRSVALMKGJPROA-GOSISDBHSA-N 359.901 4.198 0 40 FIAB O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 19834655 QCVZMJCLXHNXEV-DEOSSOPVSA-N 372.512 4.127 0 40 FIAB Cc1ccc(OCc2nnc(SCc3cccc(C(=O)O)c3)o2)cc1C 19927995 FBIXFCJPKTYYQD-UHFFFAOYSA-N 370.430 4.256 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccccc1OC 20487606 YVUZYATZFFTUJK-LJQANCHMSA-N 355.478 4.218 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(-c2ccccc2)no1 22609890 MJVIRSKIOHMIGF-INIZCTEOSA-N 359.433 4.115 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N[C@H](c3ccccc3)C(C)C)n2)cc1 24273119 BBAVHRSUSHUZDZ-NRFANRHFSA-N 363.461 4.491 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1c2ccccc2C[C@@H]1C 27977288 YWDJNIRCRUWOPN-INIZCTEOSA-N 359.473 4.400 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(F)cc2)no1 27990605 NVXPVWQMENSCOL-MRXNPFEDSA-N 358.344 4.416 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(OC)cc1 30848752 NIONTADNNFXOJS-GOSISDBHSA-N 361.869 4.255 0 40 FIAB O=C(Nc1cccc(NC(=O)c2c(F)cccc2Cl)c1)c1ccncc1 32452010 XTIKBVOTRXUFFU-UHFFFAOYSA-N 369.783 4.379 0 40 FIAB CCOc1ccccc1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1 32609694 VNIHLQGOSVQQBT-UHFFFAOYSA-N 373.815 4.375 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccnn1Cc1ccncc1 32676338 JUOKZZYYUZFALX-UHFFFAOYSA-N 368.440 4.175 0 40 FIAB CC1CCN(Cn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)CC1 32935486 ZVKHZLZGLWTBMK-UHFFFAOYSA-N 369.415 4.031 0 40 FIAB COc1ccc(Nn2c(C(C)=O)nnc2-c2oc3ccccc3c2C)cc1 36649162 XVBZUSJJIZIVGW-UHFFFAOYSA-N 362.389 4.086 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 40122611 JODVFDFDKYFUQO-SFHVURJKSA-N 360.866 4.455 0 40 FIAB CC(C)(C)c1nnc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)o1 42569273 KHQHQWVLSNPOOR-HNNXBMFYSA-N 359.495 4.213 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 44014523 RHJRTUVTFIEHDO-CQSZACIVSA-N 371.868 4.459 0 40 FIAB CCN(Cc1ccccc1NC(=O)[C@@H](C)SCc1ccccc1)C(C)=O 44507093 WSMAASNZPIFSSE-MRXNPFEDSA-N 370.518 4.315 0 40 FIAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H](C)[C@H]3CCCO3)oc2c1 55215933 ODCSXSCICCGSFF-RDTXWAMCSA-N 365.429 4.406 0 40 FIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1Cl)CO3 55393835 WNWWRFODJYHGLM-UHFFFAOYSA-N 355.821 4.415 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccc(F)cc1)CO2 55396195 BMPUZMJDFBIRLN-UHFFFAOYSA-N 365.404 4.081 0 40 FIAB O=C(CNc1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@H]1c1ccco1 57523884 OQSLYTXUZYYHES-INIZCTEOSA-N 369.808 4.316 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c(C)c1 59227197 CQWGVAJGILGWRX-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB COc1ccc(NC(=O)c2c(O)cc(F)cc2F)cc1OC1CCCC1 66044614 JQBNVEVBSHIPOC-UHFFFAOYSA-N 363.360 4.253 0 40 FIAB Cc1sc(NC(=O)c2ccnn2C(F)F)nc1-c1ccc(F)cc1 72390344 CPJDYXSMXBAXKN-UHFFFAOYSA-N 352.341 4.102 0 40 FIAB OCc1ccc2nc(-c3ccc(I)cc3)sc2c1 73740295 YATXBEDMAXNTEC-UHFFFAOYSA-N 367.211 4.060 0 40 FIAB CCC[C@](C)(CCCNC(=O)C[C@H](C)c1cccc(F)c1)C1OCCO1 75092493 DRDAFCAJWUAKMX-HRAATJIYSA-N 365.489 4.395 0 40 FIAB Cc1cn2c(/C=C/C(=O)O[C@H](C)c3nc4ccccc4[nH]3)c(C)nc2s1 84257720 NFWUXKINKYSKMC-MMQHEFTJSA-N 366.446 4.207 0 40 FIAB CCOC(=O)c1ccc2[nH]c(-c3ccc(OCC)c(OCC)c3)nc2c1 85398362 NAPGKIUOAFPBAF-UHFFFAOYSA-N 354.406 4.204 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@@H](CNc2cccc(Br)c2)C1 89223537 WHNOXBVDCCNPLO-LBPRGKRZSA-N 355.276 4.118 0 40 FIAB Cc1nc(Cl)sc1C(=O)Nc1cncc(Br)c1Cl 89559552 AYZBTOAIWQCELL-UHFFFAOYSA-N 367.055 4.168 0 40 FIAB Cc1cccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 96119493 RBABRONFJAXWDT-UHFFFAOYSA-N 364.367 4.092 0 40 FIAB Cc1noc(C)c1CCc1cc(O)n2nc(-c3cccc(Cl)c3)cc2n1 100776216 GCPMHDAPCXLEFP-UHFFFAOYSA-N 368.824 4.145 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102271480 SDYXFMCBGHBTQS-CCVOSLTKSA-N 368.477 4.425 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 107100909 SLCCNEKXVFHRIM-UHFFFAOYSA-N 359.853 4.426 0 40 FIAB CCC[C@H]1CCc2ccccc2N1C(=O)c1csc(-c2ncccn2)n1 152418000 ILRMSHYXIPJBBK-HNNXBMFYSA-N 364.474 4.362 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCC1(c2ccccc2)CCOCC1 175975238 BUNVHHDNMKNNJD-FQEVSTJZSA-N 367.489 4.017 0 40 FIAB O=C(c1ccc2nccnc2c1)N1CCS[C@@H](c2ccccc2F)CC1 219122183 DGNHELNXNWSCHN-LJQANCHMSA-N 367.449 4.089 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccccc1C 219610577 LELFKBJUCBUGHG-CRAIPNDOSA-N 361.869 4.390 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222735482 VVYVHDCNABHSBB-LPHOPBHVSA-N 369.461 4.109 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc2c(c1)CCCC2 223144641 SFGCSFOCZMPVHT-HXUWFJFHSA-N 361.482 4.443 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 224530849 AXAUYVUWWMPKIZ-LJQANCHMSA-N 350.506 4.127 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COC 224684543 LRZODLFZBHZVJW-UHFFFAOYSA-N 364.239 4.247 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCCC1 225725748 GKZJZVKFMSNBRA-UHFFFAOYSA-N 368.452 4.413 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)s1 225810287 KZJUUFZPFGZQLR-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 260720859 UVJZHLKSPVMJCH-CVEARBPZSA-N 369.538 4.211 0 40 FIAB COc1ccc(C)cc1NC(=O)Cn1nc(-c2ccc(C)cc2)oc1=S 409165882 BHFLBZYCTCBNFX-UHFFFAOYSA-N 369.446 4.137 0 40 FIAB CCc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(OC)cc1 409193996 JZWLJVXMHXPAGI-XDOYNYLZSA-N 370.449 4.205 0 40 FIAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc[nH]c1C1CC1 585082065 XASXLRZACQEOKR-CYBMUJFWSA-N 364.276 4.208 0 40 FIAB Cc1csc(-c2cccc(NC(=O)c3cc(-c4ccoc4)[nH]n3)c2)n1 588126337 BTIMADUDTIFLJX-UHFFFAOYSA-N 350.403 4.354 0 40 FIAB O=C(c1cc(Cc2ccccc2)ccc1O)N1CCc2ccccc2CC1 604790277 LSEYSMNBKVDXCB-UHFFFAOYSA-N 357.453 4.224 0 40 FIAB Cc1cccc(-c2ccc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)nc2)c1 1131219750 DBWHTXOASACWBG-UHFFFAOYSA-N 372.428 4.053 0 40 FIAB Fc1ccc([C@H]2CN(c3nc4ccc(F)cc4o3)CCO2)c(Cl)c1 1307099114 SHQAEJHRSFOOLH-MRXNPFEDSA-N 350.752 4.337 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](O)c1ccc(-c2ccco2)cc1 1775966788 ZFPVUJLBONNFQA-GOSISDBHSA-N 373.811 4.131 0 40 FIAB CCCCOC(=O)c1ccc(-n2c(SC)nc3ccccc3c2=O)cc1 1889213106 YLTVFKHEERKZRT-UHFFFAOYSA-N 368.458 4.065 0 40 FIAB c1c2c(nn1CC1CC1)[C@H](COCC1CC1)CN(CC1CCCCC1)C2 2055751293 FYBIHJVYIIAXAL-NRFANRHFSA-N 357.542 4.199 0 40 FIAB C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1cccs1 32797590 AOUPXEGCLUCMHS-QMMMGPOBSA-N 369.817 4.460 0 40 FIAB Ic1cccc(Nc2ncnc3sccc23)c1 2637517 FVVZRKKVAWKZGM-UHFFFAOYSA-N 353.188 4.040 0 40 FIAB O=C(c1cccnc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 890398 DMJUMMPAIUUZTP-QGZVFWFLSA-N 351.406 4.274 0 40 FIAB CCOC(=O)C1=CNc2c(-c3ccccc3)c(C)nn2[C@H]1c1ccccc1 981532 BHZHMAXADOCFBL-FQEVSTJZSA-N 359.429 4.320 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1)c1ccccc1 1377934 CCCVVZPBMVRSLG-WOJBJXKFSA-N 363.461 4.034 0 40 FIAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCC[C@H]1C 7108473 GOBNLEVBNFDLID-GYSYKLTISA-N 358.265 4.234 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl 2775948 LCAYVZGFUWLPSX-UHFFFAOYSA-N 368.614 4.141 0 40 FIAB Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1 2889077 ZBCPANWNAQATDZ-UHFFFAOYSA-N 355.854 4.396 0 40 FIAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 8273502 UQFGEAHUSIZUDL-UHFFFAOYSA-N 367.880 4.462 0 40 FIAB Cc1cnc(NC(=O)CCS[C@@H]2CCc3ccccc3N=C2O)s1 12322941 BYBKUSJXVHNFNW-CQSZACIVSA-N 361.492 4.116 0 40 FIAB CCN(C[C@H]1CCCO1)C(=O)c1csc(-c2cccc(Cl)c2)n1 53429171 UAZSREMGQSFYBD-CQSZACIVSA-N 350.871 4.105 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cc(NC(=O)CC)ccc1Cl 9140848 MHEVJPIEIJQINR-UHFFFAOYSA-N 355.891 4.082 0 40 FIAB COc1ccc(Cc2cnc(NC(=O)/C=C/c3ccccc3)s2)cc1 848293 JJFHUWTXJLNVMD-FMIVXFBMSA-N 350.443 4.394 0 40 FIAB CC(=O)Nc1cc(C(=O)OCC(=O)c2cccc3ccccc23)ccc1C 992755 UNMMKCSCXWVFQV-UHFFFAOYSA-N 361.397 4.146 0 40 FIAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(F)cc3)cc12 3177430 LZVRIPNGBFTJJV-UHFFFAOYSA-N 355.365 4.022 0 40 FIAB CCOc1ccccc1OCCC(=O)N(C)Cc1nc2ccccc2s1 23932178 BUUXUJOLSJQZGW-UHFFFAOYSA-N 370.474 4.123 0 40 FIAB CCn1c(-c2cc(OC)ccc2OC)cs/c1=N/c1cccc(O)c1 102929253 NPBNYNMMHRSKJA-FMQUCBEESA-N 356.447 4.192 0 40 FIAB O=C(COc1ccc2ccccc2c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 24833601 QILQJTNYXORXDX-JKSUJKDBSA-N 351.368 4.456 0 40 FIAB O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccccn1 24833228 MJIGXLQLRDOWII-HXUWFJFHSA-N 352.821 4.020 0 40 FIAB O=S(=O)(Cc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 1327413 PXVYVQNLHDHYBW-UHFFFAOYSA-N 372.515 4.006 0 40 FIAB COc1ccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)cc1 12551234 MNZNUGRTZKWMIH-UHFFFAOYSA-N 373.412 4.174 0 40 FIAB CCOc1cccc2cc(-c3cc(=O)oc4cc5c(cc34)OCO5)oc12 1448201 FVRVXPPDZRVUSE-UHFFFAOYSA-N 350.326 4.334 0 40 FIAB biogenic CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 20461840 YFIKDPPUJMZJQX-LJQANCHMSA-N 368.477 4.239 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 57293390 AYNLAIRZONDTMJ-UHFFFAOYSA-N 371.912 4.026 0 40 FIAB COCc1c(C(=O)N2CC=C(c3ccc(O)cc3)CC2)oc2ccccc12 57840819 VHMRZTAUVDMHKK-UHFFFAOYSA-N 363.413 4.214 0 40 FIAB COCc1nn2c(O)cc(Cc3ccsc3)nc2c1-c1ccc(C)cc1 100776131 FDGAWISFBIRBAG-UHFFFAOYSA-N 365.458 4.209 0 40 FIAB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CC[C@H]1CCCO1 58175356 ZVGVJIJMNFDUPS-IEBWSBKVSA-N 353.466 4.015 0 40 FIAB O=C(NCc1ccncc1)c1cccc(OCc2ccccc2Cl)c1 22258391 HVXJGVKXQBQXQH-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 27774249 QQJBAWZVYMUWBJ-UHFFFAOYSA-N 364.445 4.451 0 40 FIAB CN(CCOc1ccc(Br)cc1)C(=O)Nc1ccccc1F 12776851 KOHPNLWHDVMYMM-UHFFFAOYSA-N 367.218 4.131 0 40 FIAB COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2F)c1 12765330 SIAZVCLKMAWJMJ-MRXNPFEDSA-N 369.845 4.014 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 29115910 WHURTVKOAIJJGE-YOYMUDBBSA-N 355.409 4.155 0 40 FIAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 12892162 WVAHVXAZQMSGBK-UHFFFAOYSA-N 373.412 4.137 0 40 FIAB COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2OC)c(OC)c1 12922251 APUUBDUSMIOIMD-UHFFFAOYSA-N 357.450 4.191 0 40 FIAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Br)cc1 13012771 RUQBFBHMXRJWNM-UHFFFAOYSA-N 359.223 4.050 0 40 FIAB CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 170612451 OKSBTXFKAFWJRO-FHXAZYNBSA-N 358.532 4.155 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2[nH]c2ccc(Br)cc23)C1 13617944 FENJOPCRPSRKTO-PHIMTYICSA-N 359.271 4.356 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 6128862 MVCHQFCWRKRLQW-UHFFFAOYSA-N 364.474 4.184 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)c3ccnc(NC4CC4)c3)ccc2o1 65552617 MBFIMVJVWIVEPW-UHFFFAOYSA-N 350.422 4.347 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)oc2ccc(F)cc12 14246227 HJACQHLOKPTOCX-KRWDZBQOSA-N 370.424 4.430 0 40 FIAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(F)c1 6550855 KOUUSEDMBAQQRZ-FNORWQNLSA-N 368.191 4.328 0 40 FIAB NC(=O)N[C@H](CC(=O)Nc1ccc2ccccc2c1)c1ccccc1Cl 6543559 UHYQMRIMVZRYDU-GOSISDBHSA-N 367.836 4.231 0 40 FIAB C[C@H]1CCCC[C@@H]1N1CCN(Cc2ccc(Br)cc2)CC1 19364147 OWGHSDXRNVLLLV-YJBOKZPZSA-N 351.332 4.145 0 40 FIAB Cn1c2c(s/c1=N\C(=O)c1ccc(Cl)cc1)CCc1ccccc1-2 4834968 OCXGQGQZRAUAAD-VZCXRCSSSA-N 354.862 4.247 0 40 FIAB CCc1cccc2c(C(=O)C(=O)NCc3c(F)cccc3Cl)c[nH]c12 9227469 IJZXPKYFYNGWIE-UHFFFAOYSA-N 358.800 4.022 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 15992609 GNGMEMCGFMDNTR-KRWDZBQOSA-N 370.880 4.448 0 40 FIAB Cc1c(C(=O)NCCOc2ccccc2)oc2ccc(Br)cc12 16062973 NQZBNXMGAHRVHM-UHFFFAOYSA-N 374.234 4.313 0 40 FIAB Cc1ccccc1-n1nnnc1Sc1ccnc2cc(Cl)ccc12 7982337 YNMQIVKOYBPQPQ-UHFFFAOYSA-N 353.838 4.324 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cncn1-c1ccccc1 7984824 DSOXVTBLTKAXIC-UHFFFAOYSA-N 360.244 4.451 0 40 FIAB CCn1cnnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 8326436 QNTSEJXWLITCLQ-IBGZPJMESA-N 362.458 4.496 0 40 FIAB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NNc1cccc(Cl)c1 95471586 HCONLPBVDMGUHN-YBEGLDIGSA-N 361.232 4.217 0 40 FIAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc[nH]1 95946847 LWJRGDGNACCELV-UHFFFAOYSA-N 351.353 4.333 0 40 FIAB Cc1ccccc1CC(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 22294549 BZXKWEWNKSDYKR-HUUCEWRRSA-N 357.523 4.111 0 40 FIAB CN(CCOc1ccc(F)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 26552828 UGWWSMLTPQXTNN-UHFFFAOYSA-N 374.799 4.285 0 40 FIAB CSc1cccc(NC(=O)Nc2cccc3c2CCN3C(C)=O)c1C 546686136 QMCVTCDXQHUNDJ-UHFFFAOYSA-N 355.463 4.270 0 40 FIAB CCn1c(SCc2ccccc2)nnc1-c1ccc(OC)c(OC)c1 32604147 DTXWYSREFWUILW-UHFFFAOYSA-N 355.463 4.275 0 40 FIAB CCOC(=O)c1cc(N)cc2nc(-c3ccccc3Br)oc12 73641824 GVBOGEQUVADZQU-UHFFFAOYSA-N 361.195 4.016 0 40 FIAB Cn1cc(-c2ncc(CN[C@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)cn2)cn1 527232326 RWLATPJISBOSRC-JXFKEZNVSA-N 373.504 4.267 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)c1ccccc1 219051654 MSVUDZHAUYFMRR-GOSISDBHSA-N 362.473 4.250 0 40 FIAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2SCc1cccc(F)c1 35682718 ZBSAAAIJDWCESL-KRWDZBQOSA-N 374.481 4.102 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 31987244 SUWOVEMSCLELTJ-MRXNPFEDSA-N 354.878 4.354 0 40 FIAB O=C(Nc1ccccc1N1CCCCC1)N(Cc1ccccn1)C1CC1 79081516 FCKFSLDHBVBTSH-UHFFFAOYSA-N 350.466 4.268 0 40 FIAB Cc1ccsc1CN(C)C(=O)NCCSCc1ccccc1F 40071160 RAGFUBHHHFJWQF-UHFFFAOYSA-N 352.500 4.270 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 223501082 MFYSXOWQJJRCBE-KRWDZBQOSA-N 361.507 4.277 0 40 FIAB COC1(CNC(=O)c2ccc(-c3ccsc3)cc2)Cc2ccccc2C1 225720730 FKXBDADMUYPQLH-UHFFFAOYSA-N 363.482 4.329 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 224086140 ZECFYKRJKVBUMR-GOSISDBHSA-N 363.457 4.419 0 40 FIAB COc1ccc([C@H](NC(=O)Nc2ccccc2C(C)(F)F)C2CC2)cn1 529112975 VVRBDOKQRDYLOT-QGZVFWFLSA-N 361.392 4.475 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)ccc21 225111737 APEZDIRLIBJKAL-AWEZNQCLSA-N 370.474 4.106 0 40 FIAB COc1cccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 225904832 LTIUBTACESINGJ-KRWDZBQOSA-N 372.896 4.224 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)s1 225234278 SKFAAKVGNXOGOH-LLVKDONJSA-N 357.888 4.100 0 40 FIAB COc1ccc(CN2CC[C@@H](N(C)C(C)C)[C@@H]2Cc2ccccc2)cc1 96061665 BHYVKTWZKLGPEW-PKTZIBPZSA-N 352.522 4.221 0 40 FIAB CN1CCCc2ccc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)cc21 141544259 MEBZQUPUFWIURV-HNNXBMFYSA-N 367.493 4.460 0 40 FIAB CCN(CC)C(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21 96053068 UOCZJOIBIRFCDS-IBGZPJMESA-N 354.538 4.176 0 40 FIAB Fc1ccc2nc(C(F)F)nc(NC[C@@H]3CCOC4(CCC4)C3)c2c1 663965470 GHLWJBSFIMNGFC-LLVKDONJSA-N 351.372 4.468 0 40 FIAB Cc1nc(CC2CC2)oc1C(=O)N(C(C)C)[C@H]1CCCc2cccnc21 606443553 HERAOGUIQRBDHG-KRWDZBQOSA-N 353.466 4.259 0 40 FIAB O=C(NCc1nc(C2CCCCC2)cs1)c1cnc2ccccc2n1 390831305 RDSPYKGJBRDGSM-UHFFFAOYSA-N 352.463 4.064 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1Cl 390828390 AVQHTKAKFWPIDZ-ZDUSSCGKSA-N 365.813 4.264 0 40 FIAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1025244 GTNUHGRYMNVKBX-JTQLQIEISA-N 368.216 4.186 0 40 FIAB O=C(CCSCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 13688080 ARTWAMQYVFRNKG-UHFFFAOYSA-N 374.937 4.312 0 40 FIAB Cc1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cccc1C(=O)O 6571306 IORMBYGKWDLGTN-UHFFFAOYSA-N 370.474 4.118 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1 3892317 IVQSNLCZVBCHPL-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c(C)c1 15880953 JXBSPNQPNUSUSU-UHFFFAOYSA-N 365.458 4.193 0 40 FIAB Cc1ccc(-c2cc3c(=O)n(Cc4ccccc4Cl)ccn3n2)cc1C 16840050 PSIIWBOCXHUHCC-UHFFFAOYSA-N 363.848 4.482 0 40 FIAB COc1ccc(CCC(=O)NCCc2ccc(-c3ccco3)s2)cc1 2086896668 KNWCUBQHWWVWAQ-UHFFFAOYSA-N 355.459 4.308 0 40 FIAB COc1ccc(-c2nc(CN(C)Cc3cc(Cl)ccc3OC)no2)cc1 40066940 GCZMEXNMNIBGGZ-UHFFFAOYSA-N 373.840 4.039 0 40 FIAB Cc1nc(-c2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)c2)n[nH]1 40152548 CHLYJGDHGOSFKS-LBPRGKRZSA-N 370.840 4.148 0 40 FIAB CCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(C)cc2)cc1 41157151 GHTJNASRVLJZEN-LJQANCHMSA-N 370.518 4.048 0 40 FIAB COc1ccccc1C[C@@H](C)N(C)c1nc(-c2ccncc2)nc2c1CCC2 76061443 CGADVDDDZLJVSZ-MRXNPFEDSA-N 374.488 4.103 0 40 FIAB COc1ccc(-c2nc3ncccc3n2OCc2ccccc2Cl)cc1 1400198 KIFITARBSKFFBT-UHFFFAOYSA-N 365.820 4.389 0 40 FIAB O=C(COc1cccc(Oc2ccccc2)c1)Nc1ccc2c(c1)OCO2 1470232 JIIPPMWEXSKDTK-UHFFFAOYSA-N 363.369 4.225 0 40 FIAB Cc1cc(SCC(=O)OCC(=O)C(C)(C)C)c(C)cc1Br 3231610 AQMQRWQFMPEWRY-UHFFFAOYSA-N 373.312 4.316 0 40 FIAB FC(F)(F)c1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1 4895255 CWRJLICBOSMOLO-UHFFFAOYSA-N 360.383 4.287 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C(Cl)(Cl)Cl 6243020 ZFHHVROWPMDMPK-MRVPVSSYSA-N 353.702 4.383 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 4966111 UJODXHLRXZOHCC-HNNXBMFYSA-N 366.509 4.462 0 40 FIAB COc1ccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)cc1OC 7545504 IUJLQTNAKMBKLS-QFIPXVFZSA-N 374.440 4.184 0 40 FIAB CCCCc1ccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 2701289 JFMOMVOZKKRDOI-JXFKEZNVSA-N 363.523 4.166 0 40 FIAB CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc2c3c(cccc13)CC2)C(C)C 22004433 NUWULJNXUQXLOD-OAHLLOKOSA-N 353.462 4.129 0 40 FIAB Cc1ccccc1COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 22067099 YHUVJWYZZGMARW-JOCHJYFZSA-N 373.452 4.080 0 40 FIAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1Cl 9142116 IDBWBGYUOJQEAR-VIFPVBQESA-N 362.882 4.186 0 40 FIAB CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)Nc1ccccc1OC 9200901 BKRAOPVDRANDGK-UHFFFAOYSA-N 366.421 4.108 0 40 FIAB CN1CCN([C@H]2Cc3ccccc3Sc3c(F)cc(Cl)cc32)CC1 22865494 GGEDQKAXYGTPBK-KRWDZBQOSA-N 362.901 4.475 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 54135895 FFXVFSIMKRQTAO-LSDHHAIUSA-N 364.511 4.059 0 40 FIAB COc1ccccc1CSCC(=O)Nc1ccc(Br)cc1 9752470 VQEHWICWDDFIPF-UHFFFAOYSA-N 366.280 4.330 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1 100423604 VRFWIBANEXJTKA-QZTJIDSGSA-N 355.507 4.070 0 40 FIAB COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(C)c3)ccc2s1 20025553 GFBGHAZQIMCCMD-UHFFFAOYSA-N 355.415 4.257 0 40 FIAB O=C1C[C@@H](C(=O)Oc2ccc(C3SCCS3)cc2)c2ccccc2N1 25001700 MXVKJVSQZKOLCS-OAHLLOKOSA-N 371.483 4.197 0 40 FIAB O=C(NCCCn1cnc2ccccc21)N1CCC[C@H]1c1ccsc1 43857980 GTSWXYLRLGMBPU-KRWDZBQOSA-N 354.479 4.035 0 40 FIAB CCc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 1987266 GTALYOQITUUYND-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 109021907 ZGSCACJUHRLION-KRWDZBQOSA-N 371.824 4.085 0 40 FIAB Cn1c(C[C@H](NC(=O)c2ccc(F)cc2)c2ccccc2)nc2ccccc21 12627356 QMXXXJXOYGMCCH-FQEVSTJZSA-N 373.431 4.426 0 40 FIAB COc1ccc(Oc2cc(NC(=O)c3ccncc3)ccc2OC)cc1 12674252 PFHUABXPFMQLSA-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl 10458417 QJDYWFOOBLRCSW-AWEZNQCLSA-N 358.869 4.440 0 40 FIAB Cc1oc(C)c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1C 21209959 MVGSJDKKZDXHKW-UHFFFAOYSA-N 367.405 4.372 0 40 FIAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3ncccc3C)sc1-2 27650389 MLZOLWJQKSFZNH-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB COc1cc(C(=O)Nc2nc(C)cs2)cc(Cl)c1OCC(C)C 10554359 NSWSKKGCXQRZTL-UHFFFAOYSA-N 354.859 4.401 0 40 FIAB CC(=O)c1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 2236404 KGXWSNMSUJDEHT-UHFFFAOYSA-N 354.369 4.431 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc2ccccc2n1 10899195 MUTBSFGUNAUZJG-UHFFFAOYSA-N 359.473 4.497 0 40 FIAB Cc1ccc(CNC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 11198972 LOICKUHHADBNLC-UHFFFAOYSA-N 372.472 4.057 0 40 FIAB O=C(Nc1cccnc1Cl)c1cc(C2CC2)nc2onc(C3CC3)c12 36617448 WAQYHMIULMSVJD-UHFFFAOYSA-N 354.797 4.278 0 40 FIAB COC(=O)c1cc(-c2ccccc2F)nc2cc(-c3ccc(F)cc3)nn12 36615760 KMMXEQYKEAKDMM-UHFFFAOYSA-N 365.339 4.128 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1cc3c(C)cc(C)cc3[nH]1)CC2 28997810 ROPZEMGAXZBNQJ-UHFFFAOYSA-N 364.445 4.000 0 40 FIAB C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 12885297 DRGGEXIIJYRJAU-CQSZACIVSA-N 356.267 4.486 0 40 FIAB Cc1sc2ncnc(N3CCN(C/C=C/c4ccccc4)CC3)c2c1C 3568711 QYCCJFJQORXKFF-RMKNXTFCSA-N 364.518 4.144 0 40 FIAB C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)N1CCc2ccccc21 3544624 CWUGFBAAVWPCKA-NSHDSACASA-N 364.228 4.128 0 40 FIAB Cc1cccc(O[C@H](C)c2nn3c(=O)c4ccccc4nc3s2)c1C 17072915 DVFLFULLZFZPFE-CYBMUJFWSA-N 351.431 4.061 0 40 FIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)cc1 4188737 GLGNKIVYVUVPRK-WSBRVHRESA-N 359.425 4.489 0 40 FIAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 26124177 XAGLUJVTICSVRO-UHFFFAOYSA-N 372.428 4.380 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)COC(=O)CCCOc1ccccc1 39605943 GBYKDCHRXJKTRO-UHFFFAOYSA-N 369.461 4.325 0 40 FIAB O=C(Nc1ccccc1)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 4680013 ZOFOQWBTYLCCEQ-LVWGJNHUSA-N 371.396 4.319 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4cccnc4)c(C)c3cc12 6624438 ZHPGMGWEVJOMJS-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB biogenic Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 5613817 AZOYYVQJKSOVIJ-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB Cc1cc(C)nc(Nc2nc3n(n2)C2(CCCCC2)Nc2ccccc2-3)n1 22607162 RWODROWYVHPVTP-UHFFFAOYSA-N 361.453 4.138 0 40 FIAB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816470 RJWWCZDCDGLHLM-WOJBJXKFSA-N 358.445 4.064 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 15194589 CNZHRTXTTUHXLZ-QMMMGPOBSA-N 374.245 4.248 0 40 FIAB C[C@H](Sc1ccccn1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 8747385 IKDYBIWDOHFXPJ-JTQLQIEISA-N 355.444 4.493 0 40 FIAB COc1ccccc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 7115932 VWTOQZRRFWMYFK-HXUWFJFHSA-N 352.459 4.074 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCC[C@@H]1c1cccs1 7363081 XDNKXGJTHHTKGY-OAHLLOKOSA-N 371.531 4.153 0 40 FIAB CCCOc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 15998105 VGPWTNIDZPHZOT-GFCCVEGCSA-N 356.447 4.160 0 40 FIAB CC(=O)c1cccc(NCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 7972434 BSHGWTWORLTPGA-UHFFFAOYSA-N 372.424 4.171 0 40 FIAB COc1ccc(-c2noc(CN(C)[C@H](C)c3ccc(F)cc3)n2)cc1OC 16431397 IONIQGRTECOGDK-CYBMUJFWSA-N 371.412 4.086 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1ccccc1Nc1ccccc1 16680363 ORKSTWOGMNFSQX-UHFFFAOYSA-N 359.473 4.422 0 40 FIAB C[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cc2ccccc2o1 9218091 LYIGKWGLFICAKX-BEFAXECRSA-N 365.429 4.482 0 40 FIAB O=C1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc(F)cc1 9318133 NHFBNEWCCAUBEG-GFCCVEGCSA-N 357.772 4.050 0 40 FIAB CC(=O)c1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1 9450364 JJYSQPHOOAWBMF-UHFFFAOYSA-N 352.415 4.177 0 40 FIAB Cc1cc(NC(=O)[C@H](C)SCc2csc(-c3cccs3)n2)no1 71798140 ORUCKMBULUMOJW-JTQLQIEISA-N 365.505 4.428 0 40 FIAB CSc1ccccc1C(=O)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408613644 ZFICBHOJQOTCJU-LJQANCHMSA-N 366.530 4.071 0 40 FIAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([C@H](C)CCO)CCC1 95463267 ZZLFDZQLMTVILV-SJORKVTESA-N 361.526 4.056 0 40 FIAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C[C@H]2CCCC2=O)cc1 95478261 IYEGJWLPZNFHGJ-RHSMWYFYSA-N 365.429 4.069 0 40 FIAB Cc1cc(CNc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2)n(C)n1 36618656 NDKRGUYDQJEIMU-UHFFFAOYSA-N 367.400 4.186 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OCCO4)s2)o1 31204805 ZJKLRSIMFUNCKJ-UHFFFAOYSA-N 356.403 4.043 0 40 FIAB O=C(C[C@H](c1ccsc1)n1cccc1)NCCc1c[nH]c2ccccc12 524735663 QLQIXIXPGGCTTL-HXUWFJFHSA-N 363.486 4.369 0 40 FIAB COc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 35399409 GUZKHSXYYDPBIZ-UHFFFAOYSA-N 373.456 4.043 0 40 FIAB biogenic Cc1ccc(Sc2ccc(NC(=O)CNC(=O)[C@@H]3C[C@@H]3C)cc2)cc1C 36754815 XIHBNVBXBLVSNP-HNAYVOBHSA-N 368.502 4.165 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 219551463 NMOUCBQMDFJFGK-APWZRJJASA-N 371.477 4.355 0 40 FIAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(Cc3ccccc3)C2)n1 72345887 CBEJFFSYBMPZGS-GOSISDBHSA-N 362.452 4.245 0 40 FIAB Cc1ccc(-c2nc(CN(C)C[C@H]3COc4ccccc4O3)co2)c(C)c1 36726094 FOJXHUGULUCDBQ-SFHVURJKSA-N 364.445 4.230 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219864554 GINQSLPQMZKFPI-IBGZPJMESA-N 366.505 4.104 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc3ccccc3c2)cc1 72219577 NVTHHAHAOXZIKP-FQEVSTJZSA-N 352.459 4.069 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1Cl 38756860 LDMUDZLATVEOEX-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CC(C)Oc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cc1 72328907 KXWOFZYINXYJDS-UHFFFAOYSA-N 369.852 4.447 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2)ccc1Cl 216363102 NLIHVZGBSPKTBO-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCCN1CCCCCC1 225329895 BSVHTMQZQCSPBU-UHFFFAOYSA-N 357.325 4.308 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccccc1F 223716349 SMEMSTYUPZIQQD-GOSISDBHSA-N 357.425 4.186 0 40 FIAB CCCOc1ccccc1CCCNC(=O)CCc1ccc(OC)c(C)c1 224749359 OTXZLRKKKXGZGC-UHFFFAOYSA-N 369.505 4.474 0 40 FIAB CCCCCNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224880628 OXQGXZHADJFDRY-UHFFFAOYSA-N 365.271 4.343 0 40 FIAB Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 44837239 CTVXKZZJDUVKQO-UHFFFAOYSA-N 356.223 4.400 0 40 FIAB CCCCOCCCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 40024495 CEBGPFUUGUEKCK-UHFFFAOYSA-N 367.449 4.069 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1CN1CCCC1 224787363 DQOQVUYKMSHGGW-OAQYLSRUSA-N 366.505 4.065 0 40 FIAB Cc1nc(NC(=N)c2ccccc2)c(Br)cc1Br 89229018 LFLHNAKPINFCGR-UHFFFAOYSA-N 369.060 4.352 0 40 FIAB COCCOc1ncc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C 225861828 KGSSQNDSVUMEHY-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 223191644 CLQUZNHKDGTLGM-SFHVURJKSA-N 366.505 4.093 0 40 FIAB CCOc1ccccc1CNC(=S)Nc1ccc(OC)c2ncccc12 225444388 CZULAOLDSCLMRC-UHFFFAOYSA-N 367.474 4.129 0 40 FIAB CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1cccc(Br)c1 40142973 GKDZYAXSHCHIRW-UHFFFAOYSA-N 373.250 4.074 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCc1cccc(CN2CCCCC2)c1 224681808 NAUMZSJGVCJXIQ-LJQANCHMSA-N 366.505 4.065 0 40 FIAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccncc1 225370061 QANVBJHSDXVJJN-UHFFFAOYSA-N 355.891 4.094 0 40 FIAB COCc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 224334938 ZWOBENGLZQBQKQ-QGZVFWFLSA-N 352.478 4.317 0 40 FIAB COc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Cl 260786426 XAGDBFWIAPNSND-ZTFRIQLXSA-N 359.882 4.333 0 40 FIAB C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc(Oc2cccnn2)cc1 622265683 JHUDWENTUVISOW-OAHLLOKOSA-N 355.438 4.335 0 40 FIAB Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2[nH]c3ccc(C)cc3c2Cl)cc1 1332467476 ZVGNANBZHIVQBC-BFUOFWGJSA-N 356.853 4.290 0 40 FIAB C[C@H](COCC(F)(F)F)NC(=O)N1CCC[C@H]1c1ccccc1Cl 62659376 LDEGXPUISSHYFE-RISCZKNCSA-N 364.795 4.154 0 40 FIAB Cc1csc2c(C3CCN(CCOc4ccccc4F)CC3)nc(C)n12 12087560 RCZZKORIQUWSLW-UHFFFAOYSA-N 373.497 4.410 0 40 FIAB CCOc1ccccc1N1C(=S)N[C@H]2C[C@]1(C)Oc1c(OC)cccc12 12415813 ZLNREPOYLCCEAZ-XOBRGWDASA-N 370.474 4.028 0 40 FIAB CSCc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12648257 CJWQZNVZKGGFLF-HNNXBMFYSA-N 351.475 4.226 0 40 FIAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1cccc(Cl)c1 14109810 WQTUNPKENNQPJQ-UHFFFAOYSA-N 367.619 4.240 0 40 FIAB CC1=Nc2c([nH]c(=S)[nH]c2=O)N[C@H](c2c(Cl)cccc2Cl)C1 17197733 NGRSGVITJHAZFF-VIFPVBQESA-N 355.250 4.389 0 40 FIAB O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2)c1cccs1 19342942 SUGHSWXBMHEEBK-UHFFFAOYSA-N 367.401 4.044 0 40 FIAB CC(C)c1nccn1[C@H](C)C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 19454269 XSINIWNVHMKVNN-IAGOWNOFSA-N 373.472 4.024 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)O 5326111 RHGCCTDOGPUFRI-YSTOQKLRSA-N 350.414 4.004 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(/C=C/C(=O)O)c1 226322758 CEWKIWTXWHMMAI-IZZDOVSWSA-N 359.809 4.234 0 40 FIAB O=C([C@@H]1CC=CCC1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831115 PRNHSOFYMAMDPG-CQSZACIVSA-N 355.404 4.029 0 40 FIAB CCOc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1 3530832 AKEJUXPAKAPJLR-UHFFFAOYSA-N 352.419 4.304 0 40 FIAB CCOc1ccc([C@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCCC3)cc1 4086845 ROTLASSNVMOCHX-HSZRJFAPSA-N 365.497 4.044 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 6476830 GMVQVAABLYVTAU-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB CC(C)CNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1 8938116 DBGDWNKOTZLAGA-UHFFFAOYSA-N 354.928 4.404 0 40 FIAB COc1cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)nc(C)n1 11613249 YVWPBYYPSDDNBY-UHFFFAOYSA-N 368.824 4.443 0 40 FIAB COc1ccc(-c2nnc3c4c5c(sc4ncn23)C[C@@H](C)CC5)cc1 15084391 PIVKVCIBSQUWEU-NSHDSACASA-N 350.447 4.139 0 40 FIAB CCc1ccc(Cc2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1 36658024 JZNUXMXCOMJONN-UHFFFAOYSA-N 364.430 4.085 0 40 FIAB O=C(NCC1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 43975989 XJNKLWNIAHKOOZ-UHFFFAOYSA-N 364.276 4.035 0 40 FIAB O=C(Nc1nc(-c2ccco2)cs1)c1ccc(OCC(=O)C2CC2)cc1 49027451 ATJPYHSDHHECQG-UHFFFAOYSA-N 368.414 4.013 0 40 FIAB O=C(COCC(F)(F)F)N[C@H](c1ccccc1)c1cc2ccccc2o1 40132139 VONFGTWGNBSPHC-GOSISDBHSA-N 363.335 4.217 0 40 FIAB CCC[C@@H](NC(=O)[C@H](C)Sc1ncc2ccccn12)c1ccccc1 32575069 UBLZJWGZJCGQNQ-MAUKXSAKSA-N 353.491 4.473 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1cccc(Cl)c1 29582507 VLRBYLKSLIPLIP-NSHDSACASA-N 360.866 4.265 0 40 FIAB O=C(O)CCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 2647489 RQIOWGBNWZZPPR-UHFFFAOYSA-N 352.415 4.280 0 40 FIAB COc1ccc2c(CC(=O)NCc3cccc(C(F)(F)F)c3)coc2c1 2644827 UWFRLUNYBQJGRZ-UHFFFAOYSA-N 363.335 4.319 0 40 FIAB CC[C@@H](C)NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 4178034 UHBSRQUXZFSYLJ-IRUJWGPZSA-N 372.416 4.133 0 40 FIAB COc1cc([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc(OC)c1OC 4458699 UNJQBUWKUUXNGG-OAQYLSRUSA-N 365.433 4.165 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1F 6376318 CHNPNMPVUGKMHS-UHFFFAOYSA-N 350.123 4.428 0 40 FIAB COc1ccc(NC(=O)c2cccc(C)c2C)cc1N1CCCCC1=O 32924847 MTNWVIMUMUTRIJ-UHFFFAOYSA-N 352.434 4.081 0 40 FIAB CCc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1 7950787 BRNAAZVXVTZSHM-UHFFFAOYSA-N 356.429 4.294 0 40 FIAB COc1ccc(CCNC(=S)Nc2ccc(N3CCCCC3)cc2)cc1 7983365 IVWLXNDLXZCWHD-UHFFFAOYSA-N 369.534 4.215 0 40 FIAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)CCCC2 8267917 YZOBNZRPKFCKSH-INIZCTEOSA-N 362.473 4.183 0 40 FIAB CC(=O)Nc1cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)ccc1F 53475217 IAQLVXRJYKFZLR-UHFFFAOYSA-N 369.396 4.475 0 40 FIAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCO[C@@H]1CCCC[C@@H]1C 47190154 YUIOFIXTCLCWFF-SUMWQHHRSA-N 360.429 4.114 0 40 FIAB COC(=O)c1ccc(-c2ccc(CNCCc3ccc(OC)cc3)o2)cc1 22076837 KHIFSOAJAFSEEU-UHFFFAOYSA-N 365.429 4.074 0 40 FIAB CO[C@H](C)c1nc(C)c(C(=O)N(C)c2ccc3nc(C)sc3c2)s1 81650390 LKOFHKVBEVWGJB-SNVBAGLBSA-N 361.492 4.354 0 40 FIAB CCOc1cccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c1 649699 QVUUFMUVMWHMNB-APSNUPSMSA-N 363.747 4.361 0 40 FIAB COC(=O)c1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1 824760 LWMRBQURYIOYLA-UHFFFAOYSA-N 359.381 4.098 0 40 FIAB CCOc1ccccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 23229314 SEUAIKHVBIHVJX-UHFFFAOYSA-N 367.445 4.399 0 40 FIAB CC1=CC(C)(C)N(C(=O)CSc2nccc(C)n2)c2ccc(C)cc21 921873 LBXNEHOCUKTHFR-UHFFFAOYSA-N 353.491 4.414 0 40 FIAB CCN(CC)CCN[C@@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl 22871014 PBTMTVRHVNGMHO-AWEZNQCLSA-N 353.721 4.038 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)c1 3251785 OGSHAVBCQXOJOU-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc3nc(C)sc3c2)cc1 25425768 QISXNNUYMNLBCF-NSHDSACASA-N 368.462 4.002 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc[nH]c3=S)n2)c1 25710120 IQLFBBXIAGKQPT-UHFFFAOYSA-N 373.459 4.137 0 40 FIAB Fc1ccc(-n2ncc3c(SCCOc4ccccc4)ncnc32)cc1 1891259 SWCYELSELQTWJA-UHFFFAOYSA-N 366.421 4.126 0 40 FIAB Cc1ccc(NC(=O)NCC[C@@H]2CCCO2)c(OCc2ccccc2)c1 58290320 VCQXGZPXEGJTGO-SFHVURJKSA-N 354.450 4.265 0 40 FIAB CSc1ccc(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 58289168 JOVYYWHNTNLADI-UHFFFAOYSA-N 358.482 4.072 0 40 FIAB CCCNC(=O)[C@@]12CC[C@@](C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C 2177747 ATWQGOUWTPWHOB-FCHUYYIVSA-N 351.494 4.102 0 40 FIAB Cc1cccc(-c2nnc3c4cnn(-c5cc(Cl)ccc5C)c4ncn23)c1 2199358 YHWCZEJVOYZHNT-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@]1(C)CC1(Cl)Cl 58391686 YWGIOEAMLGZHBM-HNNXBMFYSA-N 368.289 4.459 0 40 FIAB Cc1ccc(-n2cnnc2SCc2noc(C(C)(C)C)n2)cc1Cl 28013068 OTQBVWYCAWMZBC-UHFFFAOYSA-N 363.874 4.202 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1c(Cl)cccc1Cl 10677428 DOVPPKXWMYDCDC-OAHLLOKOSA-N 356.274 4.423 0 40 FIAB Fc1ccc(Cl)cc1-c1nnc2sc(/C=C/c3cccnc3)nn12 36359428 PLTSPXUGWQSMOR-ZZXKWVIFSA-N 357.801 4.211 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cc(F)ccc1F 28300240 OSCCYIYSZDDCMF-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1cc2cccc(OC)c2oc1=O 5043319 VUDKTQGTIXZVBH-UHFFFAOYSA-N 351.402 4.179 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(NC4CC4)nc3)s2)c(C)c1 65123803 JWXZSHUQXHHSPC-UHFFFAOYSA-N 365.462 4.044 0 40 FIAB CC(C)n1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc21 5269819 FRAIUVRFJUHASS-UHFFFAOYSA-N 360.870 4.396 0 40 FIAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C2CCCCC2)nc1 23805070 KYQADBBKXZXNJT-UHFFFAOYSA-N 373.522 4.066 0 40 FIAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@@H](c1ccccc1)C1CC1 14199658 SGCZIJVZXLJLLE-SFHVURJKSA-N 355.306 4.192 0 40 FIAB CCOc1ccccc1CSc1nnc(-c2ccccc2OC)n1C 14111380 SXPOOPQBYSYRRF-UHFFFAOYSA-N 355.463 4.182 0 40 FIAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@H](C)C2 4611944 SUHTUEZXLKFHAW-MAZHCROVSA-N 369.486 4.402 0 40 FIAB COc1cccc(OC)c1OCCCN1CCCC[C@@H]1c1cccnc1 6624454 RMEWMSSUXAZHPS-GOSISDBHSA-N 356.466 4.095 0 40 FIAB biogenic CC(C)(C)c1ccc(C(=O)CCC(=O)OCc2cn3ccccc3n2)cc1 6651397 ZUAFCAYJHLVGRF-UHFFFAOYSA-N 364.445 4.338 0 40 FIAB COc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CCC3)cc1 6719160 JYGHRNITQFGENS-UHFFFAOYSA-N 351.381 4.283 0 40 FIAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cccs1)c1ccccc1 8534217 AGVMVHRFONTLHB-AWEZNQCLSA-N 350.443 4.491 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 6857617 KIWGSWKQQNIGPS-AWEZNQCLSA-N 368.289 4.472 0 40 FIAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1C1CCCCC1 5865917 BNPJCHIUMGWWGT-LBPRGKRZSA-N 362.474 4.350 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1OC 15315904 OPUQLVUEELDLLR-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 20051034 NQKGQHQKSCVDDW-KRWDZBQOSA-N 368.477 4.156 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCCC2)o1 15860187 FVDONFNAYZSDOO-HXUWFJFHSA-N 370.493 4.332 0 40 FIAB O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Oc2cccnc2)cc1 67916879 NYWXZJKLLYQBGL-UHFFFAOYSA-N 356.385 4.312 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)OCc2csc(-c3ccsc3)n2)c1C 7644149 DPBPKWHNLHNMJV-UHFFFAOYSA-N 360.460 4.376 0 40 FIAB Cc1ccc(C(=O)NCCC2=CCCCC2)cc1NC(=O)c1ccco1 7990012 BVTBXBALNBTTPL-UHFFFAOYSA-N 352.434 4.461 0 40 FIAB O=C(CSCCCc1ccccc1)Nc1cc2c(cc1F)NC(=O)CC2 97165446 HJCDNVDOOXIZSZ-UHFFFAOYSA-N 372.465 4.015 0 40 FIAB COc1cc(NC(=O)c2ccccc2Cl)ccc1-c1ccc(CO)o1 20137807 MVOHLSXPKLGKBC-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 408624892 DGISJBOCIKBXDN-UHFFFAOYSA-N 374.853 4.012 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccnc(OC2CCC2)c1 89840347 AZICGVOLLQCERT-UHFFFAOYSA-N 365.458 4.313 0 40 FIAB CCCn1ccc2ccc(NC(=O)[C@H]3CCCN(CC(F)(F)F)C3)cc21 89960745 LFTNKDPOOLYZBE-HNNXBMFYSA-N 367.415 4.264 0 40 FIAB CN(CCCNC(=O)c1ccc(-c2ccccc2F)o1)Cc1ccccc1 32841723 SDYJONYKIGEJJA-UHFFFAOYSA-N 366.436 4.338 0 40 FIAB CCCC[C@H](CC)CNC(=O)c1ccc(I)cc1 70134270 HAGDNTVEPYIJKY-LBPRGKRZSA-N 359.251 4.237 0 40 FIAB COc1cccc2sc(N(Cc3ccccn3)C(=O)C3CCC3)nc12 36691724 YYSKBQBYFJNVFD-UHFFFAOYSA-N 353.447 4.033 0 40 FIAB COc1ccc(NC(=O)c2ccccc2SC)cc1N1CCCCC1=O 38677689 CJRSPYGWGMCZGJ-UHFFFAOYSA-N 370.474 4.186 0 40 FIAB COc1cccc(-c2ccc(C(=O)NC[C@H]3COc4ccccc43)cc2)c1 670440782 RAIWHXHLERJHKJ-IBGZPJMESA-N 359.425 4.268 0 40 FIAB C[C@@H](Sc1nc2ccccc2n1C)C(=O)c1c(F)cc(F)cc1F 77166078 JUGFMFZICLCIMP-SECBINFHSA-N 350.365 4.354 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(Oc2ccccc2)nc1 72212123 WHSUNKMMKSKTBI-UHFFFAOYSA-N 356.422 4.362 0 40 FIAB COc1cc(OC)cc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)c1 226271870 CQKRZYYRNWYQQH-UHFFFAOYSA-N 366.295 4.013 0 40 FIAB Cc1cc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)ccc1F 41077046 CIECJKNWMXYBID-UHFFFAOYSA-N 352.409 4.026 0 40 FIAB CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2oc(Cl)nc2c1 225980896 IEZQROIRZSEVSW-UHFFFAOYSA-N 368.824 4.408 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc(C)c1C 223945043 MLYUNIQBISSLCB-KRWDZBQOSA-N 361.869 4.309 0 40 FIAB COc1cccc2cc(C(=O)NCCOc3cccc4ccccc34)oc12 223535468 DWHUEBMBJSBQIW-UHFFFAOYSA-N 361.397 4.403 0 40 FIAB O=C(CCc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1 222663080 CQXWFLRAFLKXTI-UHFFFAOYSA-N 358.485 4.117 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 222998861 GVIPQTFZOKHFGN-ICSRJNTNSA-N 355.478 4.353 0 40 FIAB CCc1oc2ccccc2c1CC(=O)N1CCC(c2ccnn2CC)CC1 529215133 YMKSZSXSGFPSRS-UHFFFAOYSA-N 365.477 4.160 0 40 FIAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 130470141 ZAGSREUDPRGSGE-UHFFFAOYSA-N 350.462 4.056 0 40 FIAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)cc1Cl 225799620 QNPWAXFRNMBFJI-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB CO[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1ccc(Cl)s1 225704203 GLQKRSAVWHTDDT-GFCCVEGCSA-N 362.253 4.240 0 40 FIAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)c1ccc2c(c1)OCO2 96117341 HMENWYLMCIDLOH-HNNXBMFYSA-N 368.820 4.357 0 40 FIAB CC(C)CCC[C@@]1(C)Oc2cc(O)ccc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21 257277570 NYMGABYFCFKRPP-KMUCGFTESA-N 359.510 4.425 0 40 FIAB CC1(NC(=O)C2(Cc3cccc(-c4cccnc4)c3)CCOCC2)CCC1 257299639 RQXBKQPVLSFNOR-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB COc1ccc(Cl)c2c1CCC[C@H]2N(C)C(=O)C1(c2cc(C)no2)CC1 636129834 WRHRQOHVAOMWDB-OAHLLOKOSA-N 374.868 4.213 0 40 FIAB c1cc(CN2CCCCC2)cc(-c2noc([C@H]3C[C@@H]3c3cccnc3)n2)c1 109570100 RFQPRAKGHXRYIB-UXHICEINSA-N 360.461 4.389 0 40 FIAB O=C(COc1ccc(C2SCCCS2)cc1)Nc1ccccc1O 52817840 XBQBDICXNNRKDU-UHFFFAOYSA-N 361.488 4.278 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cc1F 5675006 WRXMUFVHHYJBMC-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB ClC(Cl)(Cl)[C@H]1N=C(c2ccccc2)N=C(c2ccccc2)N1 5602649 DZGVBMYDHMIOCK-UHFFFAOYSA-N 352.652 4.180 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)[nH]2)cc1 5868474 PTAQITFKIZSGOJ-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB CC(C)n1c([C@@H](C)NC(=O)Cc2cccc(Cl)c2)nc2cccnc21 12114086 POTUUMPEQRNEHM-CYBMUJFWSA-N 356.857 4.086 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccsc2)cc1 12792426 JSNXFWQNOOKHSR-UHFFFAOYSA-N 350.443 4.239 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 12799307 NQSWOAPOVRVBSV-UHFFFAOYSA-N 363.373 4.442 0 40 FIAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl 13939631 VJJOXIGDZFDRGL-OAHLLOKOSA-N 356.274 4.349 0 40 FIAB CCn1cc([C@@H](NC(=O)c2ccncc2)c2ccc(F)cc2)c2ccncc21 19524845 ZVWSXGBDFLPAAC-NRFANRHFSA-N 374.419 4.110 0 40 FIAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc2ccccc12 5175367 MGKOEYAOVWTNGF-GYHWCHFESA-N 356.381 4.095 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cccc(-c2ccc(C(=O)O)o2)c1C 226350884 YJWWHJLYBNGYRZ-UHFFFAOYSA-N 374.462 4.347 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(NC4CC4)s3)o2)cc1 17832293 ZJZCPVOFQKWDOG-JTQLQIEISA-N 359.480 4.324 0 40 FIAB Cc1ccc(-c2noc(CS[C@H](C)C(=O)Nc3ccccc3)n2)cc1 28908883 DCRSJNNVBGILLL-CQSZACIVSA-N 353.447 4.305 0 40 FIAB CSc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 5222719 SNQNLOHRTWDQSE-UHFFFAOYSA-N 357.460 4.229 0 40 FIAB Cc1cccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137692 VFPCDJKUFAXWJS-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c1 15883210 YXDHOQOSRAKBLR-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CCc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1 15883213 VPGUVVXZFPJMET-UHFFFAOYSA-N 366.848 4.365 0 40 FIAB O=S(=O)(c1cccs1)N1CCS[C@H](c2ccccc2Cl)CC1 207000739 KCTOOURELVDMEP-AWEZNQCLSA-N 373.952 4.270 0 40 FIAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)/C=C/c2cc(F)ccc2F)C1 575617896 SJUBTPHGKHICMH-NADMHLTPSA-N 367.399 4.110 0 40 FIAB CCOc1ccccc1-c1noc(-c2cn(CC)c3ccccc3c2=O)n1 57354766 GBWJKOAEUQRKSJ-UHFFFAOYSA-N 361.401 4.137 0 40 FIAB O=C(NCc1ccccc1COc1ccccc1)c1ccc2[nH]cnc2c1 30186772 YAWVANIZKPLCCY-UHFFFAOYSA-N 357.413 4.072 0 40 FIAB O=C(CCOc1ccc(F)cc1Cl)Nc1ccc2c(c1)OCCCO2 40141022 KXPBAOLZNXNVCD-UHFFFAOYSA-N 365.788 4.048 0 40 FIAB Clc1ccc(-c2noc(CCc3nc(-c4cccs4)no3)n2)cc1 41097916 XPGHTQBBCBAQPG-UHFFFAOYSA-N 358.810 4.287 0 40 FIAB COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OC(F)F 29604425 CVWAXVXBDAYJAO-UHFFFAOYSA-N 363.694 4.481 0 40 FIAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NCc1ccccc1Cl 11865943 FXTBXDAFYDTAPQ-QGZVFWFLSA-N 374.893 4.292 0 40 FIAB FC(F)(F)c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)c(Cl)c1 79102876 XZIFNOCFZHWIRT-UHFFFAOYSA-N 352.747 4.234 0 40 FIAB CSCc1nc2ccccc2n1CC(=O)Nc1cccc(Cl)c1F 21707110 WEYSHKAHUCBJDW-UHFFFAOYSA-N 363.845 4.331 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 8041341 AURVDTCDUZMQBO-UHFFFAOYSA-N 354.450 4.208 0 40 FIAB COc1cccc([C@@H]2C[C@H](c3ccc(C)c(C)c3)Nc3ncnn32)c1OC 2919741 WTEQEDZKXHGBLQ-MSOLQXFVSA-N 364.449 4.058 0 40 FIAB COc1cccc(C(=O)[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)c1O 100684521 PAXHKLTWIPUACT-FQEVSTJZSA-N 373.408 4.294 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1cccc(OCc2cccnc2)c1 54038735 DNWASYOVIBIBEG-UHFFFAOYSA-N 360.413 4.262 0 40 FIAB CCOc1ccc(CC(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 24691358 CVDLLUFWOMUIDM-QGZVFWFLSA-N 364.445 4.175 0 40 FIAB Cc1nc(OCC(C)C)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 1426450 CFXLRUHCFFBJPL-UHFFFAOYSA-N 357.479 4.434 0 40 FIAB O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@H]1CCCc2ccccc21 22530103 MEOWMYXKYGURNV-KRWDZBQOSA-N 370.301 4.490 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccccc1OCc1cscn1 12694145 ZYRYRCGGIPBWJZ-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)c2csc3c2CCCC3)CC1 27137590 QSNXTPJMCFUXBW-UHFFFAOYSA-N 368.502 4.118 0 40 FIAB CC(C)n1nccc1NC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1 48290079 KWJFULKBFQIBMD-OAHLLOKOSA-N 350.422 4.251 0 40 FIAB CC[C@@H](C)c1ccccc1OCC(=O)NCc1nc(-c2ccsc2)no1 58087590 SROCMSYPKVNDLD-CYBMUJFWSA-N 371.462 4.007 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)c1 36062684 JTWAERCUGSQZIR-NQIIRXRSSA-N 366.505 4.244 0 40 FIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(Cl)cc1F 12788017 GKKDCTAOSNRNJJ-UHFFFAOYSA-N 353.850 4.174 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4)nnc32)c(C)c1 2241146 IGAPQJHJCOGOHF-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB O=C(OC1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 28240022 FHLORDGCVUDPKQ-UHFFFAOYSA-N 354.450 4.003 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3nc(N)sc32)cc1OC1CCCC1 36366007 XLQPNHPVBZQKEF-LBPRGKRZSA-N 359.451 4.179 0 40 FIAB CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2)o1 2361346 PGJHCSLMLVAFSE-UHFFFAOYSA-N 369.874 4.083 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)N[C@@H]1CCCc2ccccc21 3538293 UEOPESOREKJNGK-QGZVFWFLSA-N 365.458 4.023 0 40 FIAB COc1ccc(C(=O)[C@H](C)OC(=O)COc2cccc3ccccc23)cc1 3533792 IVVRLJKNZSNUOZ-HNNXBMFYSA-N 364.397 4.042 0 40 FIAB Cc1c(C(=O)Nc2ccccc2)cnc2nc(-c3ccccc3Cl)nn12 9302737 PFFBKBXKKORHBW-UHFFFAOYSA-N 363.808 4.005 0 40 FIAB O=C(c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5156124 OLECALLWPJYOSZ-JAXLGGSGSA-N 353.437 4.334 0 40 FIAB Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2nc3ccccc3[nH]2)n1 5269964 GSJAVDQBOSAGQM-UHFFFAOYSA-N 369.787 4.102 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cncc(Br)c1 14095297 HEPSUAFJYMLMGI-CYBMUJFWSA-N 351.269 4.055 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)s1 14162366 ZEFQNKVUAGXDMI-UHFFFAOYSA-N 371.487 4.315 0 40 FIAB C[C@@H](N[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc12 14157439 CZDZLNZAPGIGON-WZONZLPQSA-N 374.484 4.091 0 40 FIAB CCOc1cccc(-c2nnc3n2N=C(c2ccccc2C)CS3)c1 5562966 NXAJNINLXKKVTJ-UHFFFAOYSA-N 350.447 4.010 0 40 FIAB CCCOc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1Cl 9061842 CDNHATYOPHGOTH-UHFFFAOYSA-N 364.854 4.024 0 40 FIAB COc1ccc(Cc2nnc3c4c5c(sc4ncn23)CC[C@@H](C)C5)cc1 9134999 HUSSFQDMYBFSTP-GFCCVEGCSA-N 364.474 4.063 0 40 FIAB CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2cccs2)c1 68489740 ZVAQFCIENHIWPN-BBRMVZONSA-N 373.478 4.091 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)c1cn2c3c(cccc3c1=O)CCC2 22235297 CRXHYZKESNLDDM-UHFFFAOYSA-N 372.346 4.219 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1Cc1ccc2c(c1)OCO2 7885115 PFYLTNGNKANODN-LJQANCHMSA-N 364.426 4.244 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NOCc1ccccc1 8096714 YGKAAODLHBAFIQ-UHFFFAOYSA-N 360.772 4.304 0 40 FIAB Cc1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)c1C 8060309 JNCCPEWGMDDKSP-UHFFFAOYSA-N 367.836 4.063 0 40 FIAB O=C(Nc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1)c1ccco1 8095425 WNWQNZJPBGJGMQ-WBVHZDCISA-N 352.434 4.184 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)N2CC[C@H]3CCCC[C@H]3C2)no1 8368652 PMZVYVKZXPUZRF-CVEARBPZSA-N 371.506 4.323 0 40 FIAB O=C1CCc2cc(Oc3nc(C(F)(F)F)nc4ccccc34)ccc2N1 84593266 NIVGWJIROLHBIR-UHFFFAOYSA-N 359.307 4.326 0 40 FIAB Cc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2)cc1NC(=O)C(C)(C)C 95429089 DOKPGBDSPIXGRN-CQSZACIVSA-N 357.420 4.028 0 40 FIAB COc1cc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)ccc1O 95446146 MYZAUVOZZAVNRJ-UHFFFAOYSA-N 372.428 4.042 0 40 FIAB O=C(Nc1cccc2[nH]ccc12)N(CCCO)[C@H]1CCCc2ccccc21 85580573 CEEDBLXGOQKKJQ-NRFANRHFSA-N 363.461 4.462 0 40 FIAB CCOC(=O)C1CCN(C(=O)[C@H](CC)Sc2ccc(Cl)cc2)CC1 20459938 DFLYRPQPRBIUHH-INIZCTEOSA-N 369.914 4.012 0 40 FIAB O=C(/C=C/c1ccccc1Br)Nc1ccc(-n2cccn2)cc1 24586851 XDFHUSMVMVZKHS-IZZDOVSWSA-N 368.234 4.287 0 40 FIAB COC(=O)c1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)s1 33161856 OORHEWFYUHPMKU-UHFFFAOYSA-N 372.471 4.143 0 40 FIAB O=C(O)[C@@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1 38880746 LJOROKHWAVUILV-FGZHOGPDSA-N 371.436 4.295 0 40 FIAB Cc1cc(N2CCC[C@H]2/C=C/c2ccccc2)n2nc(C(F)(F)F)nc2n1 543727146 NLXWXJQETOGFIO-FEAKQIBJSA-N 373.382 4.134 0 40 FIAB COc1cccc(CN(C)C(=O)c2cc(C)nc3ccc(C)cc23)c1OC 32964114 DTBHLQZBUBPAQI-UHFFFAOYSA-N 364.445 4.141 0 40 FIAB CSc1ccc(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 30609189 KOERMICIPVIYIP-UHFFFAOYSA-N 360.910 4.333 0 40 FIAB COc1ccc(CCCNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218922341 HMNJMENEKBEIAV-UHFFFAOYSA-N 361.869 4.093 0 40 FIAB CCCSc1nnc(NC(=O)c2cc3ccccc3cc2OC)s1 223742430 HSDLKHBJLGFSIR-UHFFFAOYSA-N 359.476 4.454 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccccc1OC(F)(F)F)c1cccs1 43879340 GCVVYMBOVVSPKS-LBPRGKRZSA-N 373.400 4.071 0 40 FIAB Cc1nn(C)c2c1[C@H](c1ccccc1OC(F)(F)F)SCC(O)=N2 49548386 DQHPCWTVVPPSDG-ZDUSSCGKSA-N 357.357 4.051 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222713137 RMEIPNPOAKUEHR-WMZOPIPTSA-N 369.461 4.109 0 40 FIAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)c(Cl)c1Cl 223851891 QGAOATRCKYVTCG-UHFFFAOYSA-N 368.326 4.495 0 40 FIAB O=C(O)[C@H](Cc1ccc(Br)cc1)Oc1ccccc1Cl 225065407 KRPDIRFKMJNAIN-AWEZNQCLSA-N 355.615 4.177 0 40 FIAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222757049 UKQNQLJCNVRHGM-ROUUACIJSA-N 353.422 4.083 0 40 FIAB COc1ccc(NC(=O)c2cnc(-c3cccc(F)c3)nc2)cc1Cl 222624569 PJZCJPIIMOYHAA-UHFFFAOYSA-N 357.772 4.197 0 40 FIAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224251683 WKGPQYKMAIAADF-UXHICEINSA-N 362.502 4.389 0 40 FIAB CCc1onc(C)c1NC(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 583619959 RFNFVZNMYFPIDZ-KKSFZXQISA-N 354.450 4.348 0 40 FIAB CCc1ccc([C@H]2COCCN2C(=O)c2[nH]c3ccccc3c2Cl)o1 605564350 APMGHFTXRBQCGF-OAHLLOKOSA-N 358.825 4.190 0 40 FIAB CC[C@H](C)Oc1cc(CNc2nncn2-c2ccccc2)ccc1OC 97165695 DDDZXODNNXVQME-HNNXBMFYSA-N 352.438 4.065 0 40 FIAB O=c1c(Cl)c(N2CCCCCC2)cnn1C12CC3CC(CC(C3)C1)C2 5053575 DWKPYABZHLVQEV-UHFFFAOYSA-N 361.917 4.202 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c(O)c1 5343372 ZKXGWOOAANOQCV-UHFFFAOYSA-N 361.323 4.362 0 40 FIAB C[C@H](NC(=O)c1cncc(Br)c1)C12CC3CC(CC(C3)C1)C2 5444008 HSIQUGULQWDPSB-IWERZKIRSA-N 363.299 4.179 0 40 FIAB Cc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)c(Br)c1 14218427 GFDRURSYVAJEPG-UHFFFAOYSA-N 373.132 4.006 0 40 FIAB CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1OCC 14724857 YXPGEXRVMVLPCF-XYOKQWHBSA-N 371.433 4.153 0 40 FIAB CC(C)CC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226352652 LAZRIPUQDSAQPN-UHFFFAOYSA-N 366.211 4.392 0 40 FIAB C[C@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)NC1CC1 5102525 YQHKLAYMQDZDKP-AWEZNQCLSA-N 370.522 4.074 0 40 FIAB O=C(c1ccccc1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120424 AMQKYBYONQBRKJ-UHFFFAOYSA-N 364.392 4.451 0 40 FIAB CC(=O)c1sc(NC(=O)CCSc2ccc(Cl)cc2)nc1C 4496588 JBEWKUYNRSWSOB-UHFFFAOYSA-N 354.884 4.428 0 40 FIAB COC(=O)/C(=C(/F)S[C@H]1C[C@@H](C(C)(C)C)CCC1=O)C(F)(F)F 4593638 PXGACNOWPAPDJF-SDAFJHNOSA-N 356.381 4.420 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(N3CCC[C@H](C)C3)sc2Cl)cc1 5936515 DGOUPJNKWSBXKZ-LBPRGKRZSA-N 370.927 4.174 0 40 FIAB CCOc1cccc2cc(C(=O)Nc3nnc(Cc4cccs4)o3)oc12 11694680 KXTHRGSXOPXHNM-UHFFFAOYSA-N 369.402 4.119 0 40 FIAB Cc1noc(C)c1CCC(=O)OCc1cc(-c2cc3ccccc3o2)on1 38768035 HGVFFALHBGDHDU-UHFFFAOYSA-N 366.373 4.369 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 4275344 UGKLSJAUTSUPGG-UHFFFAOYSA-N 366.851 4.440 0 40 FIAB CCOc1ccc([C@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 6963681 MECPUDFZSGIWMN-QGZVFWFLSA-N 356.472 4.474 0 40 FIAB Cc1cccc(C2(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CC2)c1 50473568 VKGVXCONZKZXJM-UHFFFAOYSA-N 362.473 4.178 0 40 FIAB O=C1O[C@H](/C(=C\Nc2ccc(Cl)cc2Cl)[N+](=O)[O-])c2ccccc21 100472671 UEPIEZULJUUGTH-NHXNDTTKSA-N 365.172 4.435 0 40 FIAB O=C(CC(=O)c1cccc(OC(F)F)c1)c1cccc(OC(F)F)c1 100803388 AJRXXBHEZIHUQS-UHFFFAOYSA-N 356.271 4.345 0 40 FIAB COc1cccc(OCCNC(=O)c2ccc(-c3ccccc3)s2)c1 32797069 OOPKSBINCIXZQI-UHFFFAOYSA-N 353.443 4.233 0 40 FIAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)c(C)c1C 7602011 GGHWOMLOORJRSV-SOFGYWHQSA-N 366.413 4.088 0 40 FIAB COc1ccc(CCNC(=O)CCCOc2ccc(Cl)cc2C)cc1 2774524 CPAIBOIKKFUCGE-UHFFFAOYSA-N 361.869 4.175 0 40 FIAB O=C(C1CC1)N1CCC(NCc2ccc(-c3cccs3)cc2F)CC1 54174117 SIGGYFKINYRTAV-UHFFFAOYSA-N 358.482 4.045 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(COC(=O)[C@H]3CC=CCC3)cs2)cc1 23512323 DMLVHODFSUOKQW-HNNXBMFYSA-N 370.474 4.032 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1C 103716853 RMOVLYLOMIZAFS-QGZVFWFLSA-N 366.461 4.082 0 40 FIAB CC(C)(C)C(=O)[C@@H](Oc1ccc(Cl)cc1)Oc1cccc2nonc12 1235373 OYXUJCKXSHSEAF-KRWDZBQOSA-N 360.797 4.275 0 40 FIAB O=C(CCSc1nccc(C(F)(F)F)n1)Nc1ccccc1Cl 25063962 OXSZUGYUTDPFKL-UHFFFAOYSA-N 361.776 4.270 0 40 FIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)o1 21840538 YXBFGRPVGXNGDO-QAWKQVOOSA-N 350.418 4.182 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 12507409 VRGCWBROZSTYDT-GOSISDBHSA-N 374.271 4.175 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(C)cc1Cl 20139395 NPXYITOEWLKPMV-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB O=C(COC(=O)/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1 3239753 WIUUGBLTSVYDGT-WUKNDPDISA-N 371.436 4.149 0 40 FIAB C[S@@](=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 10372526 LTWDKCJFEOEEFU-LMKMVOKYSA-N 370.499 4.011 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 27921933 HSEYFPPUQOEQKH-PMACEKPBSA-N 363.436 4.430 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544914 XXSNFYKACTVGFC-AWEZNQCLSA-N 362.458 4.192 0 40 FIAB COc1cccc(NC(=O)Nc2nnc(COc3cccc(C)c3)s2)c1 2354444 LYURLUQOVAAOEY-UHFFFAOYSA-N 370.434 4.078 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)NCCCCOc1ccccc1 11080159 RNNFMBKTLPWTBX-UHFFFAOYSA-N 367.474 4.103 0 40 FIAB Cc1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)ccc1F 27824876 WHWGKIHJQYBZPE-UHFFFAOYSA-N 351.786 4.103 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 12787558 NZRREOQBXQDKFJ-UHFFFAOYSA-N 360.841 4.405 0 40 FIAB C[C@@H]1c2ccsc2CCN1CC(=O)N(C)Cc1c(F)cccc1Cl 12799266 OMCROOPTROJTEQ-GFCCVEGCSA-N 366.889 4.118 0 40 FIAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1C 29281136 MJRBCEKTCUXTJK-UHFFFAOYSA-N 353.447 4.068 0 40 FIAB O=C(c1cc(Cl)ccc1F)N1CCN(c2ccc(Cl)cc2)CC1 59892179 UBWYDTIIPFCRDE-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2sc(-c3ccccn3)nc2C)cc1 12866600 DCBPGBRFAJSWEJ-UHFFFAOYSA-N 367.474 4.184 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc2ncccc12 12919817 NXFATXRAAANFQE-OAQYLSRUSA-N 357.413 4.138 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1c(C)cc(C)cc1C)O[C@@H](C)C2 12994015 ZSWQRUWBMNGSQP-INIZCTEOSA-N 369.461 4.351 0 40 FIAB CC(=O)O[C@@]1(C#N)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4026013 UJVLVOCWWBXPQK-KINXCBNHSA-N 355.478 4.344 0 40 FIAB biogenic Cc1cccc(C)c1-n1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1=O 4088956 WWUUGBNDDHSIBJ-UHFFFAOYSA-N 361.367 4.026 0 40 FIAB O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1csc(C2CCCC2)n1 63887443 LXGKRTXGVUBCLS-UHFFFAOYSA-N 369.412 4.302 0 40 FIAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)cc1 5054313 ZFSVWBAEJYQCRS-MRXNPFEDSA-N 363.461 4.221 0 40 FIAB CC(C)(C)c1cc(NC(=O)/C=C/c2cscn2)n(-c2ccccc2)n1 64898453 GETYWSXQQMIPQL-MDZDMXLPSA-N 352.463 4.278 0 40 FIAB COc1ccc(NC(=S)N(C[C@H]2CC=CCC2)C[C@H]2CCCO2)cc1 6181770 JRMNNAIPYUHFSF-QFBILLFUSA-N 360.523 4.229 0 40 FIAB O=C(NCCc1nc2ccccc2n1C/C=C/c1ccccc1)c1ccco1 4386826 VPBUKTMWYJNTAT-UXBLZVDNSA-N 371.440 4.315 0 40 FIAB C[C@@H](NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 6248340 DJQMHABVOSJXOL-CYBMUJFWSA-N 374.362 4.264 0 40 FIAB COc1ccc(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)cc1 408532368 XGWAKDGOQYBBHO-UHFFFAOYSA-N 364.445 4.274 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)NCCC2=CCCCC2)c1 14118836 ADCMOMKMDRYJBN-UHFFFAOYSA-N 354.450 4.491 0 40 FIAB C[C@H](SCc1cc(Cl)c2c(c1)OCO2)C(=O)NCc1cccs1 14158386 QZQMVCLRCDUGTK-JTQLQIEISA-N 369.895 4.068 0 40 FIAB Cc1ccc2oc(C(=O)N[C@@H]3CCSc4ccccc43)cc(=O)c2c1 14240831 RGCPXMGAMJNOME-OAHLLOKOSA-N 351.427 4.068 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 6653303 AUDOKVWTNXCFCM-SFHVURJKSA-N 369.490 4.186 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)cc1 6752912 JZPYRRLAQYEIEV-IBGZPJMESA-N 367.836 4.391 0 40 FIAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1 9422479 AMEHJRLWJAKVHN-OAQYLSRUSA-N 357.413 4.416 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)N1CCC[C@H]1c1cccs1 6850001 NVFGYCKFRVXKDX-WMADIVHISA-N 352.253 4.481 0 40 FIAB OCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 6979520 WUZXSNQCARNMTO-UHFFFAOYSA-N 370.865 4.153 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)c1cc(Cl)c2c(c1)OCCO2 8395630 ATKDYUKWFWWEKP-UHFFFAOYSA-N 372.833 4.487 0 40 FIAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1Cl 25946787 PPLXEJFLEWUPAQ-UHFFFAOYSA-N 370.880 4.264 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cnc3ccccc3n2)cc1 9581894 BTURQINGRSTCEZ-NRFANRHFSA-N 361.445 4.396 0 40 FIAB CCOc1cc(C(=O)NCc2ccc(C)cc2)nc2c(C)cc(F)cc12 72331820 XWVRLKAAVDDNCF-UHFFFAOYSA-N 352.409 4.319 0 40 FIAB CC(=O)c1cccc(NC(=O)c2cccnc2SCc2cc(C)on2)c1 9861838 UTSXVTRIWCNCFO-UHFFFAOYSA-N 367.430 4.125 0 40 FIAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)[C@H](O)Cc1ccccc1 95431412 SMLTXSCIXCMEKM-FDDCHVKYSA-N 359.469 4.004 0 40 FIAB CC(C)(C)[C@H]1CCc2onc(C(=O)NCCCOc3ccccc3F)c2C1 35316591 VBWCSQBSLDLJPD-AWEZNQCLSA-N 374.456 4.164 0 40 FIAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(Cl)cc1 39860704 BRPWETZJBPWCEQ-NVNXTCNLSA-N 359.790 4.310 0 40 FIAB CCCSc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 39989171 CEPMPFCWUUBQKD-UHFFFAOYSA-N 351.497 4.181 0 40 FIAB O=C(c1ccccn1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380317 CZHABKGPJUQSMH-HNNXBMFYSA-N 366.852 4.145 0 40 FIAB O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1c[nH]c2ccccc12 38575566 NFTZAKPXNYWCFZ-UHFFFAOYSA-N 372.306 4.489 0 40 FIAB Cc1noc(C[C@@H](NC(=O)CC2CCC(C)(C)CC2)c2ccccc2)n1 562369652 VQNYJNDORVFIAI-GOSISDBHSA-N 355.482 4.385 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 224611588 ZRIFHBLDFRKODQ-GOSISDBHSA-N 355.478 4.218 0 40 FIAB Cc1cccc(NC(=S)NCCSCc2cccc(Cl)c2)n1 225301138 WYQBCTUWJMXQIQ-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB CCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1Cl 222818880 PZXZQOAAYWYBQS-HNNXBMFYSA-N 372.896 4.310 0 40 FIAB Cc1cccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1C 225230628 WHDXYGNBBMCCAA-UHFFFAOYSA-N 359.564 4.316 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 136530407 RLXAHRAUVMVINP-ROUUACIJSA-N 374.440 4.011 0 40 FIAB CCOc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1Cl 224802042 FTQYHJZHLMRCNX-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 223022802 LRDXEYUMJUCJJN-NSHDSACASA-N 359.297 4.035 0 40 FIAB CC(C)C(NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(C)C 225328535 XKAVAOMUNVDEJA-UHFFFAOYSA-N 361.555 4.280 0 40 FIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225611740 BPZQTGVORGXKEH-NRFANRHFSA-N 362.514 4.085 0 40 FIAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1 224725483 JRYGGTLGUKHHQM-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB CC(=O)N1CCC2(CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1 96157098 IDHWQGKBYOGXIO-UHFFFAOYSA-N 374.834 4.193 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccnc(CN3CCCC3)c2)s1 257244403 ILCZIUJZURCYFM-SFHVURJKSA-N 355.507 4.025 0 40 FIAB O=C(c1cc(O)nc2ccccc12)N1CCCC[C@H]1Cc1ccc(F)cc1 591676849 CUNPFHNNAKUJCN-KRWDZBQOSA-N 364.420 4.317 0 40 FIAB CCN(Cc1cnc2ccccn12)C(=O)C1(c2cccs2)CCCC1 96025068 ANFGCMWJHLJCIB-UHFFFAOYSA-N 353.491 4.256 0 40 FIAB Cc1cc(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c(C)o1 96099867 VEWHOVYZJBCFNV-UHFFFAOYSA-N 373.503 4.044 0 40 FIAB Cc1ccc2c(C)cc(N3CCC[C@H](CNC(=O)c4ccco4)C3)nc2c1 509486350 LRDKQWFLUBQQID-QGZVFWFLSA-N 363.461 4.091 0 40 FIAB Cc1sc([C@@H](C)N[C@H](C(=O)O)C2CC2)nc1-c1ccc(Cl)cc1 635017274 STHIKJUHKBBBTK-PSLIRLAXSA-N 350.871 4.286 0 40 FIAB Cc1[nH]nc2ncc(NCc3cc(Cl)cc(Br)c3)cc12 1621109988 YONXOLYQDYBHDL-UHFFFAOYSA-N 351.635 4.294 0 40 FIAB CCc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4)o3)n2)cc1 5178593 POVZCQSGHSNJLR-UHFFFAOYSA-N 363.446 4.376 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2cccnc2)cc1OC 12088984 FYHHTUHNZUTAER-UDKICSLYSA-N 352.478 4.161 0 40 FIAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 14256709 IEHKZNPOZSRSSV-UHFFFAOYSA-N 361.463 4.061 0 40 FIAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 19019514 OYXYZKFBYSDPID-UFYCRDLUSA-N 374.937 4.238 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cnn(C[C@@H]2CCCCO2)c1 390827007 DLNJEWVYUKWZPR-HNNXBMFYSA-N 368.359 4.115 0 40 FIAB COc1cc2nc(NC(=O)c3ccc(Cl)cc3F)sc2cc1OC 22229979 RURFVQPKAIOJEO-UHFFFAOYSA-N 366.801 4.358 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc(F)cc1 5099338 USINZBNYXSUOBL-UHFFFAOYSA-N 364.376 4.264 0 40 FIAB CC(C)c1nnc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)o1 44098465 RZRSWDAUUITUFB-UHFFFAOYSA-N 364.449 4.004 0 40 FIAB O=C(COc1ccccc1F)NCCc1ccc(-c2ccsc2)s1 575414113 YSSMXDNYEAOPKE-UHFFFAOYSA-N 361.463 4.353 0 40 FIAB Cn1ccnc1Sc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 10423839 JRRZBMAWYREEHJ-UHFFFAOYSA-N 362.458 4.234 0 40 FIAB CCOc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 13639089 KDHMIHALWSSLPX-BOPFTXTBSA-N 371.414 4.040 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1cccs1 40103886 RJXKLLHTWUOLBU-OAHLLOKOSA-N 372.519 4.296 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)CCSCc2ccccn2)cc1 40152787 RXEZBBZPSFNVHZ-IBGZPJMESA-N 356.491 4.077 0 40 FIAB CCCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(C)c2C)cc1 31206281 PXCXPBSHGNXBQL-UHFFFAOYSA-N 360.479 4.098 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc(N2CCCCC2)cc1 100672912 UZKIGKXPDWQZCC-YUOVDFJASA-N 368.521 4.337 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)c(O)c1 31812765 WFUFTHFTWGHABZ-UHFFFAOYSA-N 362.357 4.055 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)N1CCN(Cc2cccs2)CC1 20544206 AMRJRDZHNDDLLA-UHFFFAOYSA-N 370.305 4.405 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2ncnc3ccccc23)C1 102185324 QRPXORGBRWANDU-VBKZILBWSA-N 355.507 4.149 0 40 FIAB COc1cccc([C@H](C)CC(=O)N[C@H]2C(=O)Nc3ccc(C(C)C)cc32)c1 102145404 VMFUTHBHBIFVGS-SPLOXXLWSA-N 366.461 4.122 0 40 FIAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCc2ccccc21 917103 GRSVZTCBJVYUHF-UHFFFAOYSA-N 371.849 4.071 0 40 FIAB C[C@@H](NC(=O)c1ccccc1OC(F)F)c1nc(C2CCCCC2)no1 76068244 BHDPCHFFQKIEEC-LLVKDONJSA-N 365.380 4.210 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c2c1C 6113501 BQVVIDAPSMWHQD-MJVIPROJSA-N 363.552 4.341 0 40 FIAB CC(C)(CO)NCc1ccccc1OCc1ccc(Cl)cc1Cl 6883187 KQPMUHGHKAKRDL-UHFFFAOYSA-N 354.277 4.433 0 40 FIAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCO2 6890399 QBANQXKIGYCQSS-UHFFFAOYSA-N 358.353 4.476 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2)c(OC)c1 7719633 NKHRPFPCJNQBIV-SFHVURJKSA-N 374.868 4.133 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3ccc(F)cc3)cc12 2416561 BCRGEYUMSMCZTK-UHFFFAOYSA-N 365.433 4.465 0 40 FIAB O=C(CCc1ccsc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8074419 RXWSMOAKTLNCDB-UHFFFAOYSA-N 366.490 4.304 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2c(Cl)ccc3nsnc23)cc1 8830853 CVOQBJRKXYAQBI-UHFFFAOYSA-N 361.854 4.486 0 40 FIAB CSc1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 819299 LSIAZPMRWKMDDI-UHFFFAOYSA-N 368.546 4.245 0 40 FIAB COc1cccc(NC(=O)c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c1 22996475 DUEYAZGSBRBPPR-UHFFFAOYSA-N 364.245 4.380 0 40 FIAB C[C@H](c1ccccc1)N1CNC(=S)N(c2cccc(C(F)(F)F)c2)C1 12401911 YETOYVBCIWJMKQ-CYBMUJFWSA-N 365.424 4.378 0 40 FIAB Cc1ccc(OC(=O)COc2ccccc2C)c(-n2nc3ccccc3n2)c1 1515378 JPYYDWXSNLYBCT-UHFFFAOYSA-N 373.412 4.022 0 40 FIAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2c(C)noc2C)cc1 12525790 PIJNJRJUTWXHSX-UHFFFAOYSA-N 357.435 4.144 0 40 FIAB COc1ccc(OC)c(CNC(=O)Nc2ccccc2N2CCCCC2)c1 57848398 FUVHRRSMMZHFDI-UHFFFAOYSA-N 369.465 4.016 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nonc3-c3ccccc3)no2)cc1F 27584689 HBXDSIOXBZDXCA-UHFFFAOYSA-N 364.336 4.091 0 40 FIAB O=C(Cc1noc2ccccc12)N[C@H](c1ccc(F)cc1)c1cccs1 10292348 IENWDMWMCYCUSU-HXUWFJFHSA-N 366.417 4.477 0 40 FIAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@@H](C)CC4)cc(=O)c2cc1Cl 27750438 HGQJAVYVOWLHFK-VIFPVBQESA-N 372.808 4.120 0 40 FIAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 23003427 KNTAZBFEZILIDQ-UHFFFAOYSA-N 359.159 4.482 0 40 FIAB Cn1c(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc2ccccc21 36370107 FYVDMKXKYWTORV-UHFFFAOYSA-N 351.837 4.286 0 40 FIAB biogenic COc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 8654819 BONPOBXUZCZYHC-HXUWFJFHSA-N 372.896 4.306 0 40 FIAB biogenic COc1cccc(OCc2ccc(C(=O)Nc3nc(C)c(C)s3)o2)c1 28226225 XCQREQYMBKLUOQ-UHFFFAOYSA-N 358.419 4.193 0 40 FIAB Cc1ccc2c(COC(=O)c3ccccc3OC(F)F)cc(=O)oc2c1 3573445 IVAGPYZPUWRSKL-UHFFFAOYSA-N 360.312 4.060 0 40 FIAB Cc1ccc2c(CN(C)CCOc3ccccc3F)cc(=O)oc2c1C 12911024 JRMGESZXHJJWAX-UHFFFAOYSA-N 355.409 4.060 0 40 FIAB CC(C)Oc1ccc(CN[C@H](c2cccc(F)c2)c2nccn2C)cc1 48710550 UFGGCLUZMMCZQA-HXUWFJFHSA-N 353.441 4.226 0 40 FIAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)cc1 13693024 OZPJSMCIYUYQRY-UHFFFAOYSA-N 365.433 4.445 0 40 FIAB COc1ccc([C@@H]2C=C(C34CC5CC(CC(C5)C3)C4)NC(=S)N2)cc1 8830135 TUPASQKQKKXVLR-TYUXRXASSA-N 354.519 4.314 0 40 FIAB O=C(Nc1cccnc1Cl)N1CCn2cccc2[C@H]1c1ccccc1 65826726 YNXOCVJGQCFNFG-QGZVFWFLSA-N 352.825 4.174 0 40 FIAB CCOC(=O)c1ccc(NCn2nc(-c3ccccc3)oc2=S)cc1 4600078 UPYVRMUDNADHOB-UHFFFAOYSA-N 355.419 4.119 0 40 FIAB Fc1ccc(CN2C[C@H]3Cc4cnc(Nc5ccccc5)nc4[C@H]3C2)cc1 306131149 JXUSTSWZHHXBMD-XLIONFOSSA-N 360.436 4.131 0 40 FIAB COC(=O)c1csc(Nc2ccc(-c3ccc(C(=O)O)cc3)cc2)n1 27913784 WYJLTVVSGHHPMA-UHFFFAOYSA-N 354.387 4.039 0 40 FIAB O=C(COCc1nc2ccccc2s1)N[C@H]1CCCc2ccccc21 6789263 BPTBASLRYLQXEF-INIZCTEOSA-N 352.459 4.007 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)COc2cccc(Cl)c2)cc1 5802317 OBQJEIONXZUZFG-UHFFFAOYSA-N 361.825 4.024 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CCCCC1 7437634 PCVSBKGZVLDYKF-JTQLQIEISA-N 360.679 4.319 0 40 FIAB CSc1cccc(NC(=O)COC(=O)c2oc3ccccc3c2C)c1 7979041 LBLMYXQDSVTPOR-UHFFFAOYSA-N 355.415 4.259 0 40 FIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1COc2ccccc2C1 16709848 CQBYJFSFOQUTKH-XJKSGUPXSA-N 359.878 4.244 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(Br)ccc2o1 9419842 WILVEJKQGPTWAV-UHFFFAOYSA-N 356.179 4.324 0 40 FIAB O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 71804301 KQJBMPSCMKIGEG-HZPDHXFCSA-N 372.350 4.028 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414246 RVHHTJBZVINLNC-UHFFFAOYSA-N 356.447 4.168 0 40 FIAB CN(C(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(Br)cn1 95953236 IUMMZPQGAYQSRM-UHFFFAOYSA-N 365.658 4.192 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 89522719 KCZDWNASOVXUGS-FQEVSTJZSA-N 360.461 4.374 0 40 FIAB Fc1ccccc1-c1n[nH]c(SCc2c[nH]c(-c3cccs3)n2)n1 75108788 PXVICDBIZKNGHN-UHFFFAOYSA-N 357.439 4.355 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 20452259 YTPRMCYHPLHYEF-IAGOWNOFSA-N 371.477 4.170 0 40 FIAB O=C(Nc1ccccc1)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 36585212 XGQJJHMAEVRMPC-KOUHRCEDSA-N 351.494 4.114 0 40 FIAB CC1(C)Cc2cccc(OCCNC(=O)c3c(F)cccc3Cl)c2O1 32050560 WYNMCHDRFHHAJU-UHFFFAOYSA-N 363.816 4.001 0 40 FIAB O=C(CCCCCN1CCCCC1)Nc1ccc(Br)cc1 71256247 IAXAEKFOZGBBKF-UHFFFAOYSA-N 353.304 4.434 0 40 FIAB COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1 66087653 RYOGLGFPDPCDAG-MRXNPFEDSA-N 353.809 4.008 0 40 FIAB COc1ccc(CCC(=O)NCc2sc(-c3ccccc3)nc2C)cc1 66554127 DCTDAJKQXJFVPP-UHFFFAOYSA-N 366.486 4.376 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(C)c(C)c3)c2C)c1 32609747 GISWPGCLNYIQDE-UHFFFAOYSA-N 363.461 4.426 0 40 FIAB CSc1ccccc1NC(=O)COc1ccc(Br)c(C)c1 218823890 XYDCZBBSIMDPDP-UHFFFAOYSA-N 366.280 4.497 0 40 FIAB CC(C)c1csc(NC(=O)CCCc2nc(-c3cccs3)no2)n1 31711996 AETWNLJPLGQZNU-UHFFFAOYSA-N 362.480 4.339 0 40 FIAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215416 HWBXGERRJHHDLY-QGZVFWFLSA-N 359.470 4.059 0 40 FIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCC1 216345229 GXMSGDIVFOOPDI-QGZVFWFLSA-N 354.947 4.203 0 40 FIAB COc1ccc(SCCCNC(=S)Nc2c(F)cccc2F)cc1 225803277 VXRODZSCHILNMP-UHFFFAOYSA-N 368.474 4.442 0 40 FIAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 224419669 NNAOUKOXDPFPMI-SJORKVTESA-N 355.463 4.459 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224788063 QUGMSHPBNBRTKF-OAHLLOKOSA-N 364.917 4.306 0 40 FIAB Cc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)c(C)c1 225448575 AYMOSHBBWSVWAU-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 224177854 VQTXKDRRFJOHRU-LBPRGKRZSA-N 358.290 4.217 0 40 FIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225698768 HNSXOBMMZPJXOY-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN(CC)CC)cc2)CCCCC1 225708982 GLVCJTVBVWBNIX-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(C)c(Cl)c2)c1 225766077 AGMRPVFACIGMHD-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB O=C(Nc1nn2c(-c3cccc(Cl)c3)nnc2s1)C1CCCCC1 41076565 NDPAFKVRIRHHNW-UHFFFAOYSA-N 361.858 4.025 0 40 FIAB Cc1cccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)c1C 223732043 HCBFQVUTHMSBQT-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)cn1 225701826 VSKVVRDCXUIURZ-HXUWFJFHSA-N 363.486 4.475 0 40 FIAB CCOc1ccccc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222605599 HRANMXNRXBCPQA-UHFFFAOYSA-N 353.809 4.448 0 40 FIAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(Br)cc1 224184749 OXRWMDDNYOIDMW-UHFFFAOYSA-N 362.333 4.083 0 40 FIAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1ncc(-c2ccccc2)o1 5326706 KGIOKKQTRPTKMC-UHFFFAOYSA-N 370.430 4.335 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 12871942 LJFAMIGHTUVZPK-DHZHZOJOSA-N 368.864 4.231 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)cc1F 12980932 GBIHRHWIZXMIOU-CYBMUJFWSA-N 357.454 4.203 0 40 FIAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(Cl)c1Cl 13668762 BYKHEPUJICJGEM-JTQLQIEISA-N 372.273 4.142 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 14012198 KRHHICRGEFZDQR-UHFFFAOYSA-N 366.461 4.354 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(COc3ccccc3)o2)c1 15082959 IINWITCOQDZVBN-UHFFFAOYSA-N 353.374 4.128 0 40 FIAB C=CCc1cccc2c1O[C@@H]1CCCC(=O)[C@H]1[C@H]2C1=C(O)CCCC1=O 17466687 VCRRYSIVQDRCIM-SFHLNBCPSA-N 352.430 4.194 0 40 FIAB CC(C)c1nccn1CCC(=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19454501 MTIHHIXXDLWOPI-WAGURGNTSA-N 365.521 4.485 0 40 FIAB Cc1nc2cc(C(=O)N[C@@H](C)c3ccccn3)ccc2n1-c1ccccc1 19657178 SNRFFYMPFGEYIB-HNNXBMFYSA-N 356.429 4.220 0 40 FIAB CC(C)C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 19690186 KQNIHIJMHMEWKT-KRWDZBQOSA-N 372.900 4.183 0 40 FIAB COc1ccc(-n2nc3c(c2NC(=O)C2CCCCC2)CSC3)cc1 9363812 OHTQHDRFPLLRKV-UHFFFAOYSA-N 357.479 4.147 0 40 FIAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(SCc2cccnc2)cc1 25066047 MEUPZNSLFCFAJZ-UHFFFAOYSA-N 372.881 4.322 0 40 FIAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(C)cc(C)cc2s1 4359498 LOXBABORQJZELA-UHFFFAOYSA-N 371.506 4.495 0 40 FIAB C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccccc1-c1ccccc1 4520572 LYZNJIQOYWFAJF-QFBILLFUSA-N 365.477 4.313 0 40 FIAB Cc1ccc(C)c2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc12 10166329 UQOMYDHDNYXCQM-UHFFFAOYSA-N 357.523 4.142 0 40 FIAB CCN(CC)c1c(S(=O)(=O)c2ccccc2)cnc2ccc(C)cc12 22573698 NJVVVVVVCLGBAW-UHFFFAOYSA-N 354.475 4.222 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1 211077939 VFNVTQSRSFHFEW-SFHVURJKSA-N 355.409 4.022 0 40 FIAB CC(C)/N=c1\ccccn1C(=O)[C@H]1C[C@@H]1c1cccc(Br)c1 102102058 GYYSQXWLMDELTM-BIKJCLGBSA-N 359.267 4.004 0 40 FIAB C[C@@H](NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 102185644 COSPCVFARKWNSE-XGGGHAJHSA-N 363.542 4.323 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc(Cl)c2)NC(=O)N1 641249 BUYWIXITYGBUQX-GOSISDBHSA-N 369.852 4.223 0 40 FIAB CCOC(=O)c1nc(Nc2ccc(OC(C)C)cc2)c2ccccc2n1 956529 JWPNRMWWFVTMPZ-UHFFFAOYSA-N 351.406 4.337 0 40 FIAB c1ccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 1010447 VAAQGVVAZODOQB-UHFFFAOYSA-N 367.456 4.018 0 40 FIAB CC(C)CCOc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 1436368 UHCGNLWGCMPUNK-LJQANCHMSA-N 355.434 4.057 0 40 FIAB Cc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1C 1438066 TTYDEKNVCVOPSB-UHFFFAOYSA-N 360.421 4.028 0 40 FIAB O=C(CSc1nnc2ccc3ccccc3n12)Nc1cccc(Cl)c1 1924274 ZIEABOVXTIZCQN-UHFFFAOYSA-N 368.849 4.267 0 40 FIAB CCOC(=O)c1cccc(C(=O)c2cccc(CN3CCCCC3)c2)c1 2515001 OCQYDELOJMRTOR-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1cccc(Cl)c1Cl 2631194 VLDCMHCSOXOZMF-UHFFFAOYSA-N 356.152 4.212 0 40 FIAB CCS(=O)(=O)c1ccc2oc(Nc3cc(Cl)ccc3OC)nc2c1 3271370 AUCNNYDVHFXVEI-UHFFFAOYSA-N 366.826 4.027 0 40 FIAB CCN(c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1)C(C)C 3297408 BFDRYOWHEXYCIN-VAWYXSNFSA-N 372.490 4.178 0 40 FIAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Cl)c1 3316343 XZYCSUUBAPKMFE-UHFFFAOYSA-N 359.853 4.324 0 40 FIAB Cc1sc2nc([C@@H](C)OC(=O)c3cc4ccccc4[nH]3)[nH]c(=O)c2c1C 4492730 BOQXLTALCIWKPK-SNVBAGLBSA-N 367.430 4.001 0 40 FIAB COc1ccc2oc(C(=O)OCC(=O)c3c[nH]c4ccccc34)c(C)c2c1 4524748 FPGRSMKKUOVQQU-UHFFFAOYSA-N 363.369 4.271 0 40 FIAB O=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccco1 4700360 JMVSVLMZXDEHCH-UHFFFAOYSA-N 364.401 4.107 0 40 FIAB COc1ccc(NCc2cccc(OCC(=O)Nc3ccccc3)c2)cc1 4741058 SVFPKZGDPIXFRL-UHFFFAOYSA-N 362.429 4.325 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 4854359 YCWXAEFLYOEOKT-LJQANCHMSA-N 353.372 4.403 0 40 FIAB CCOc1ccccc1C(=O)NCCc1csc(-c2cccc(F)c2)n1 5137450 YAQUFKLWJODKDV-UHFFFAOYSA-N 370.449 4.320 0 40 FIAB C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)c1c[nH]c2ccccc12 5309727 ZPWYDFMXAWZYIW-SECBINFHSA-N 356.838 4.456 0 40 FIAB CC(C)c1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 5310242 KTFNZSMDGSWFJM-UHFFFAOYSA-N 360.870 4.466 0 40 FIAB COc1ccc(Nc2nc3nonc3nc2Nc2cccc(Cl)c2)cc1 5393907 FVBLXEGDQJYIDU-UHFFFAOYSA-N 368.784 4.162 0 40 FIAB C[C@@H](O[P@@](C)(=O)Oc1ccc(NC(=O)CCC(=O)O)cc1)C(C)(C)C 5532138 NWUFPMJLZOWRPY-XELLLNAOSA-N 371.370 4.143 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1 5700301 SQPQORSEQDQXIK-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCOc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)ccc1OC 6164155 WFHNADCKEVQHFX-UHFFFAOYSA-N 353.374 4.106 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6219609 HACPONYOUZQYBB-LLVKDONJSA-N 360.385 4.494 0 40 FIAB CCOC(=O)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6630691 NGFUIWGLLLBXRY-NJSLBKSFSA-N 363.413 4.388 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3)n2)c1 7162363 VNFLFMXNSSDVKU-AWEZNQCLSA-N 366.442 4.303 0 40 FIAB COc1ccc2c(CSc3nnc(-c4ccoc4C)o3)cc(=O)oc2c1 7194603 MLQNPUCKYSANTE-UHFFFAOYSA-N 370.386 4.045 0 40 FIAB CCOc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cccc1OC 7342943 PMXAPMATUWPECG-WJDWOHSUSA-N 370.430 4.188 0 40 FIAB Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1Cl 7416694 SNHSLDPIPWQKBC-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 7698951 VFQFQFVODJTKMR-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(Cl)c(Br)cc1C 8433676 BDJVRWBSCSEYNI-VNKDHWASSA-N 372.646 4.025 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 8833443 MSVFEIMSNJYAKU-UHFFFAOYSA-N 361.376 4.387 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)Nc1cccc(C)n1 9096401 LQKMDIOUWPUHDO-GIESBBMHSA-N 373.541 4.322 0 40 FIAB O=C(CCC(=O)c1cccs1)Nc1ccc2c(c1)OC1(CCCC1)O2 9762451 JVQFAXTYSHNKAE-UHFFFAOYSA-N 357.431 4.391 0 40 FIAB COc1ccccc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10507406 JUOQYVFQCHMLOT-UHFFFAOYSA-N 374.444 4.079 0 40 FIAB CC(=O)Nc1ccc(NCc2cc(=O)oc3c(C)c(O)ccc23)cc1Cl 10944557 WIDQPOSTQKQNCY-UHFFFAOYSA-N 372.808 4.031 0 40 FIAB COc1ccc2cc(CNC(=O)COc3ccc(Cl)cc3)ccc2c1 11124161 RSYRXKLMYNMRSG-UHFFFAOYSA-N 355.821 4.197 0 40 FIAB COc1cccc(-n2ccnc2SCc2nc(-c3ccccc3)no2)c1 11199261 PTOOWIIPEPWQAE-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@H](C)n2ccnc2C)n1 12087894 MBZHIEXKAHOJEE-XJKSGUPXSA-N 374.535 4.069 0 40 FIAB c1coc(-c2nc(NC[C@@H]3Cc4ccccc4O3)ncc2-c2ccncc2)c1 12338404 XFYLCKYOZQFQAZ-KRWDZBQOSA-N 370.412 4.214 0 40 FIAB O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(Cc1ccco1)C3 12442451 SRVDLFFQFDONJY-UHFFFAOYSA-N 359.381 4.405 0 40 FIAB biogenic COc1ccccc1CC(=O)Nc1c(-c2ccccc2)nc2sccn12 12603991 LQTQYJBKPBGWNZ-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB O=C(NCc1ccccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2 12746775 ZUMPZJLHZOCRFR-UHFFFAOYSA-N 369.827 4.084 0 40 FIAB CC(C)=CC(=O)Oc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 12765397 RHHDSJCRXUOJJT-UHFFFAOYSA-N 373.474 4.000 0 40 FIAB CN(CC1CCCCC1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 12983439 BSWKWVZMSCPFKJ-UHFFFAOYSA-N 355.482 4.083 0 40 FIAB CN1CCN(c2nc(C(F)(F)F)nc3ccccc23)[C@@H](c2ccccc2)C1 13163400 PEBFQZHOUXRNCQ-QGZVFWFLSA-N 372.394 4.142 0 40 FIAB Fc1ccccc1-c1nnc2sc(-c3ccc(Cl)nc3Cl)nn12 13726681 VAEXOUSIHFDUMT-UHFFFAOYSA-N 366.208 4.361 0 40 FIAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(F)cc3Cl)n2)C1 14161631 QTPVQQJZOQUVAS-LLVKDONJSA-N 367.877 4.420 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 14428447 PGMWDFUDOQGFFY-CYBMUJFWSA-N 369.490 4.218 0 40 FIAB C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)c1cccc(Cl)c1 14681567 SNVZVMQWKHNXJQ-CYBMUJFWSA-N 358.821 4.022 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1N1CCCC1=O 16105443 SFBLLBLLWDVBHR-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB CC(C)(C(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(F)cc1 19718406 RUYWYPLIFLMZKK-UHFFFAOYSA-N 354.469 4.016 0 40 FIAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 19943203 BILOSLUIQRVGCY-HUUCEWRRSA-N 353.528 4.149 0 40 FIAB Cc1sc(NC(=O)c2ccccc2)c(CN2C[C@@H](C)O[C@H](C)C2)c1C 20193316 ZJNRPIARPYQOCU-ZIAGYGMSSA-N 358.507 4.226 0 40 FIAB Cc1ccc(SC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 20896662 GJIYUJXZDVNHHM-UHFFFAOYSA-N 353.399 4.354 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccc(OC)cc1 22526751 QUVBNSUCUOKRTM-OAQYLSRUSA-N 355.478 4.218 0 40 FIAB Cn1cc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cn1 25307621 UOPKSLIDGSABLR-UHFFFAOYSA-N 361.323 4.484 0 40 FIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1cccs1 27822831 PWNWBZUSQJSVGP-UHFFFAOYSA-N 373.927 4.367 0 40 FIAB Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)n1 27937349 BQPYLHXXGRUVCB-UHFFFAOYSA-N 357.797 4.171 0 40 FIAB COc1ccc(CN(C)C(=O)c2csc(-c3ccc(F)cc3)n2)cc1 32744500 VLKYRORPTWTPEX-UHFFFAOYSA-N 356.422 4.230 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc4oc(O)nc4c3)s2)o1 33015783 UTZQHXWZOTXOGO-UHFFFAOYSA-N 355.375 4.119 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)n1 33331630 HBXVWOMJMZDSLO-UHFFFAOYSA-N 369.465 4.246 0 40 FIAB CC(C)c1nc(SCC(=O)N2CCc3ccccc32)c2ccccc2n1 35290908 RMBODFQKVCGJFR-UHFFFAOYSA-N 363.486 4.435 0 40 FIAB Cc1ccc(-c2noc(CCNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 35671987 BFAOWDCULYNDDM-UHFFFAOYSA-N 363.461 4.315 0 40 FIAB COc1cccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)c1 36246004 GFDXZXFKUKPXIP-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 40104629 OWVYNSVNWAXSRO-UHFFFAOYSA-N 371.456 4.408 0 40 FIAB CC(C)c1nnc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)s1 40131850 BREIZZZGSDZXHI-INIZCTEOSA-N 353.447 4.420 0 40 FIAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(Oc2ccccc2)nc1 40145296 JLZXFLLLYBKPDH-UHFFFAOYSA-N 360.417 4.121 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2ccccc2)cn1)c1cccs1 40157569 UZQOQQPMAQVUQO-KRWDZBQOSA-N 365.458 4.016 0 40 FIAB COc1ccc(CCC(=O)N(C)Cc2cc(Br)cs2)cc1 48069354 VEBQLPFYECLYSL-UHFFFAOYSA-N 368.296 4.110 0 40 FIAB CCOc1ccc(Cl)cc1NC(=O)C[C@@](C)(C(=O)O)c1ccccc1 48382482 ZYVOZCIDTKRLOY-LJQANCHMSA-N 361.825 4.110 0 40 FIAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)N1CCc2ccccc21 54352383 AMSZBUJGTGTDIP-UHFFFAOYSA-N 370.880 4.161 0 40 FIAB C[C@@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@@H](C)O1 58358071 NJZFSINFUHZIAU-HZPDHXFCSA-N 366.436 4.078 0 40 FIAB O=C(CCSc1ccccc1)NC1CCN(Cc2ccc(F)cc2)CC1 58393531 GXNLQDSVCYNGCB-UHFFFAOYSA-N 372.509 4.089 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F 70830050 YSFIJIPZQDCAAC-ZDUSSCGKSA-N 372.412 4.057 0 40 FIAB Cc1ccc2c(c1)CN(Cc1ccc(F)c(F)c1)CC1(CCN(C)CC1)O2 72394185 RCBAILCORSJBOJ-UHFFFAOYSA-N 372.459 4.132 0 40 FIAB CSc1ccccc1CN1CCC(CNC(=O)[C@H]2CC=CCC2)CC1 75170379 VFNINAGSDTZSKM-SFHVURJKSA-N 358.551 4.093 0 40 FIAB CN(C)[C@@H](CNCc1ccc(-n2cnc3ccccc32)cc1)c1ccco1 95956313 ZDHDHIJJNKUWCS-NRFANRHFSA-N 360.461 4.011 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 100620882 GQMANWRTWLKWFJ-LYYPEUCTSA-N 352.478 4.436 0 40 FIAB COc1cccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3nnnc3N2)c1 101119655 YGFFJRWZPOHRGQ-HNNXBMFYSA-N 374.231 4.045 0 40 FIAB COCCn1c(-c2[nH]c(C)c(C(C)=O)c2C)cs/c1=N/c1ccccc1 102836204 CMLPABJIQVOVHE-LSDHQDQOSA-N 369.490 4.243 0 40 FIAB Cc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)nc1 103597481 PMJKXYSWGYWJDB-JDPPGYRCSA-N 363.299 4.453 0 40 FIAB COc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1Cl 169890220 NEKQJNBLVVUIFV-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB COC(=O)c1cn(C(=O)COc2ccc3c(c2)CCCC3)c2ccccc12 222645157 SYXVCTXCCWAJGD-UHFFFAOYSA-N 363.413 4.026 0 40 FIAB C[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 222950979 YPUMNOBAPVGHKQ-AWEZNQCLSA-N 363.910 4.399 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)c(C)c1 223553718 LVANNNZZTLVKST-LBPRGKRZSA-N 351.497 4.061 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223926575 GKPGALWVCUXWAW-OAHLLOKOSA-N 371.437 4.449 0 40 FIAB CCCOCc1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1OC 224419968 VMDPIZAUAJSDHQ-QGZVFWFLSA-N 355.478 4.373 0 40 FIAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2F)ccc1N1CCCC1=O 224642656 CMNDEGNSMNVHFY-UHFFFAOYSA-N 360.816 4.096 0 40 FIAB O=C(CCc1ccc(Cl)cc1Cl)NCCCN1CCCCCC1 225372720 DHMSLLXNSPQPKV-UHFFFAOYSA-N 357.325 4.308 0 40 FIAB O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(-c2ccsc2)cc1 225621628 NOBNQIBQYVHWKV-QFIPXVFZSA-N 363.482 4.443 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1cccc(Br)c1 225621975 LYDMPCWMUMRRRI-SFHVURJKSA-N 374.278 4.194 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cccc(C)c2)cc1 226285280 RJQSNTNHHDETJC-UHFFFAOYSA-N 350.340 4.163 0 40 FIAB CCOC(=O)c1ccc(Br)c(-c2cc3ccccc3oc2=O)c1 226357623 YFGROARTQCETIQ-UHFFFAOYSA-N 373.202 4.399 0 40 FIAB COCCN1C(=O)N(c2ccc(F)cc2)[C@@H]2[C@H](c3ccccc3)CC[C@@H]21 257280336 OKLOSVJSTNGQDA-SLFFLAALSA-N 354.425 4.029 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nc2ccc(N)cc2s1 408984870 NEVODAFOEADCJU-UHFFFAOYSA-N 357.504 4.480 0 40 FIAB O=C(NCc1ccc(-c2ccoc2)cc1)c1cncc(Br)c1 575414206 QGCFNXXBBGRRHG-UHFFFAOYSA-N 357.207 4.034 0 40 FIAB O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccc(F)c(Cl)c1 575617034 VLULBCBMYVSADM-UHFFFAOYSA-N 373.188 4.072 0 40 FIAB O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)N(CCc1ccccc1)Cc1ccncc1 666510912 SYGIUOVPJJZMHY-FDFHNCONSA-N 363.505 4.272 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775976932 FCOQMAYWYTWBFR-HNAYVOBHSA-N 367.470 4.032 0 40 FIAB CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)CCC(F)(F)F)C1 1889148841 LEAALBZMODGMAA-UHFFFAOYSA-N 353.388 4.060 0 40 FIAB CCc1ccc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cc1 655896 HFYMTGLEWDEJLB-UHFFFAOYSA-N 366.318 4.419 0 40 FIAB CC(C)(C)C(=O)c1cn(CC(=O)NCCc2ccccc2)c2ccccc12 817611 VSXJLJKZNFSQEL-UHFFFAOYSA-N 362.473 4.229 0 40 FIAB COc1ccc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)cc1 1083531 BQYININAVVVQIB-UHFFFAOYSA-N 371.487 4.400 0 40 FIAB Cc1nc2ccc(NC(=O)Nc3ccc(N4CCOCC4)cc3)cc2s1 1110342 UUNGBVUSIUDOHM-UHFFFAOYSA-N 368.462 4.085 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 1359136 WAISNTCSQAMKNX-LJQANCHMSA-N 351.450 4.192 0 40 FIAB COc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 1370429 MRBKHRPSGCPYCM-NHCUHLMSSA-N 364.489 4.011 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 2761501 NQBJQHQPVOLGAL-VAWYXSNFSA-N 354.475 4.076 0 40 FIAB CCCC(=O)OCCC[C@H](CC[C@H](C)OC(=O)CCC)OC(=O)CCC 4684119 CBYWYTIHGQZVDT-DLBZAZTESA-N 372.502 4.334 0 40 FIAB COc1ccc(C(=O)NCCNc2nc3cc(C)c(C)cc3cc2C)cc1 4848608 VEXBBUJFNIXRGN-UHFFFAOYSA-N 363.461 4.011 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 5439981 BCIPXFJVOTWVCA-UHFFFAOYSA-N 358.825 4.036 0 40 FIAB Cc1cc(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(C)n1C1CC1 5508510 YWLWTCMOMDHCOM-UHFFFAOYSA-N 363.816 4.201 0 40 FIAB CC[C@H](C)NC[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5875946 DSOCMSSZHZEROG-RXHHBCLFSA-N 357.538 4.282 0 40 FIAB COc1ccccc1-c1nc(S)c2c(n1)Oc1c(cccc1OC)C2 6009593 QNCNCUAHSFWQPS-UHFFFAOYSA-N 352.415 4.146 0 40 FIAB Cc1ccccc1OCC(=O)Nc1nnc(SCc2ccccc2)s1 6219425 SXNSIGIFPYZGMG-UHFFFAOYSA-N 371.487 4.156 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)NCCc1ccc(Cl)cc1 6231864 XPSOYOZGEKDPGU-UHFFFAOYSA-N 357.759 4.097 0 40 FIAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1C(F)(F)F 6561216 GVQQUDHXOBGWCV-UHFFFAOYSA-N 370.758 4.070 0 40 FIAB O=C(COc1ccc(F)cc1)N(Cc1cccc(F)c1)Cc1ccco1 6747588 LJLBPDROFZIHNI-UHFFFAOYSA-N 357.356 4.166 0 40 FIAB COc1ccc(CN(Cn2nc(-c3cccs3)[nH]c2=S)C2CC2)cc1 8148376 FOCXRHFTKXPNMU-UHFFFAOYSA-N 372.519 4.300 0 40 FIAB CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8327055 ORNXCRVNQWNPLJ-QGZVFWFLSA-N 354.277 4.433 0 40 FIAB CCn1c2ccccc2c2nnc(SCc3nc4ccccc4o3)nc21 8366477 JPBXFMBVGFQGFL-UHFFFAOYSA-N 361.430 4.433 0 40 FIAB Cc1ccc2cc(CN(C(=O)c3cccs3)C(C)(C)C)c(=O)[nH]c2c1 9235613 XMDAJIAFQXTQFZ-UHFFFAOYSA-N 354.475 4.339 0 40 FIAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2csnn2)cc1 9250839 WZOVHIGFGLAKFG-UHFFFAOYSA-N 363.398 4.076 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1cccc(F)c1 9364563 LEQOKFQKCNRFDS-INIZCTEOSA-N 358.804 4.124 0 40 FIAB O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cc(F)cc(F)c1 10513614 DPOMWJRHOVGGMT-MRXNPFEDSA-N 357.809 4.048 0 40 FIAB COc1ccc(-c2ocnc2C(=O)N[C@H](C)CCc2ccccc2)cc1 12220695 WEHYYRAWCPVUQQ-OAHLLOKOSA-N 350.418 4.101 0 40 FIAB CN1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)CC1=O 12539321 GBSWSYDKQMKANC-KRWDZBQOSA-N 361.489 4.328 0 40 FIAB CN(Cc1ccc(F)cc1F)C(=O)c1c[nH]c(=S)n1-c1ccccc1 12552439 STYAAUIIWQHGSN-UHFFFAOYSA-N 359.401 4.085 0 40 FIAB O=c1[nH]cc(-c2ccccc2)cc1CNc1ccc(CCN2CCCC2)cc1 12670651 HDPGRDBZBGJUSY-UHFFFAOYSA-N 373.500 4.292 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 12740564 OJNXNLBHDHFSKV-MSOLQXFVSA-N 368.521 4.218 0 40 FIAB COc1cccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2F)c1 12765325 SIAZVCLKMAWJMJ-INIZCTEOSA-N 369.845 4.014 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)NCCC3=CCCCC3)c2cc1C 12768458 LGIDAUBHUQJZJG-UHFFFAOYSA-N 369.461 4.142 0 40 FIAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NCc1ccc(Cl)cc1 13732238 VOBGZZAFOJJBEP-QGZVFWFLSA-N 374.893 4.292 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C(N)=O)cc3)o2)cc1 14134513 MDSAYOCGKZTSLO-UHFFFAOYSA-N 367.474 4.425 0 40 FIAB CCc1cccc2c(C(=O)CN(C)Cc3ccc(OC)cc3OC)c[nH]c12 21672594 YRFKOLVWDPAHLY-UHFFFAOYSA-N 366.461 4.062 0 40 FIAB CCc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCCCC2)cc1 22853085 SNWFLYIQTMQJLQ-QGZVFWFLSA-N 370.522 4.197 0 40 FIAB CC(C)c1ccc(NC(=O)CCn2cnc3c([nH]c4ccccc43)c2=O)cc1 23125949 VSCWRYYLXAHZIO-UHFFFAOYSA-N 374.444 4.030 0 40 FIAB Cc1noc(CSc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 24262020 JPRWXDZFUWVYFY-CYBMUJFWSA-N 353.447 4.161 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](c1ccsc1)N(C)C 25330821 HJNJZTMGEHLLCV-MRXNPFEDSA-N 371.531 4.213 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)Nc3cccc4c3CCCC4)c(C)n2n1 25869524 YYLPECOIZLWPKR-UHFFFAOYSA-N 362.477 4.105 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 26392435 YZCASZNJTOUOQL-CHWSQXEVSA-N 363.841 4.002 0 40 FIAB CCSc1ncc(Br)c(C(=O)Nc2cc(C)ccc2C)n1 27741807 PXCURCPCBQXTPI-UHFFFAOYSA-N 366.284 4.220 0 40 FIAB COc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27749564 VYMTWIJEVSEEQQ-KRWDZBQOSA-N 358.507 4.104 0 40 FIAB Cc1nc(NC(=O)c2ccccc2)sc1-c1nc(-c2cccs2)no1 31815571 ZANOSUSRPJLCSU-UHFFFAOYSA-N 368.443 4.482 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c(OC)c1 38834672 UOJRJDXURYQNGC-UHFFFAOYSA-N 368.477 4.332 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 38858296 AKEIILIDAHNUDA-SFHVURJKSA-N 370.880 4.393 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 40009908 WNAVQHDAAFRIKM-GOSISDBHSA-N 354.450 4.210 0 40 FIAB O=C(CCNC(=O)c1ccsc1)N[C@@H](c1ccc(F)cc1)C1CCCC1 40117421 HEHSNFDHWBWOJF-LJQANCHMSA-N 374.481 4.055 0 40 FIAB C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 40150017 DHSFGXOXVRMPIC-QMMMGPOBSA-N 365.220 4.046 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1C 51364421 ZHJFKLSWXJGAIL-LJQANCHMSA-N 358.441 4.462 0 40 FIAB O=C(CCc1ccccc1O)N1CCC[C@H]1c1ccc(Br)cc1 55860649 UROFAKSGEOHCOJ-KRWDZBQOSA-N 374.278 4.451 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)o1)c1cc(Cl)cc2cccnc12 56402754 OCZCGGKBNBXBCJ-UHFFFAOYSA-N 363.804 4.473 0 40 FIAB CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cccs1 62191354 SECPWIAIGPKDOA-UHFFFAOYSA-N 355.790 4.245 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 64982255 WSJCBKVZEZGFDY-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2cccs2)c1 65471194 ZVAQFCIENHIWPN-CZUORRHYSA-N 373.478 4.091 0 40 FIAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccccc1F 67296285 PTRZCGBKSSQBSH-FLFQWRMESA-N 359.360 4.452 0 40 FIAB CCc1nc([C@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)no1 69219331 OPPJCNSIICYTNS-NSHDSACASA-N 368.359 4.062 0 40 FIAB CSc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72216920 LXTFLEFCYKQGNO-KRWDZBQOSA-N 362.520 4.028 0 40 FIAB CC(C)C[C@@H](C(=O)Nc1cccc2[nH]ccc12)N1Cc2ccccc2C1=O 72325506 KACDYNZGEBSQKD-FQEVSTJZSA-N 361.445 4.177 0 40 FIAB biogenic OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccccc2Br)C1 72404420 WBRBJFPLMRZFMM-CYBMUJFWSA-N 372.222 4.411 0 40 FIAB CC(=O)c1c(C)nc(C)nc1SCC(=O)Nc1cccc2ccccc12 73752298 VBOTWHXJPDZKPI-UHFFFAOYSA-N 365.458 4.180 0 40 FIAB COCCn1cc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)cn1 89420288 MZYPOPIBPRZKKL-UHFFFAOYSA-N 366.852 4.248 0 40 FIAB O=C(c1ccsc1)N1CCCN(Cc2cc3ccccc3s2)CC1 92149106 ZDNMONLWDZCRCI-UHFFFAOYSA-N 356.516 4.311 0 40 FIAB CSc1ccc(/C=C/C(=O)NCC2(c3ccccc3)CCOCC2)cc1 96120226 MQWIMWBKRADJIX-FMIVXFBMSA-N 367.514 4.286 0 40 FIAB CC(C)(C)c1nnc(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)s1 97016929 CZFBDKBUQMDTTM-LLVKDONJSA-N 372.416 4.131 0 40 FIAB Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)sc1-c1ccc(F)cc1 102212776 SOBBKMCHVRIIRG-UHFFFAOYSA-N 354.406 4.214 0 40 FIAB O=S(=O)(Nc1cccc2ncccc12)c1cccc(C(F)(F)F)c1 102431848 KWAWBZDBLQPUIM-UHFFFAOYSA-N 352.337 4.054 0 40 FIAB c1cc2c(cc1[C@H]1O[C@@H]3CCCC[C@@H]3c3cc4c(cc31)OCO4)OCO2 105101534 WDHGTNCMVJMBMN-NZCGUCNHSA-N 352.386 4.290 0 40 FIAB Cc1cc(N(C)[C@H]2CCCc3nc(C)sc32)nc(-c2ccncc2)n1 112081160 BWAMPABDNCZWMS-INIZCTEOSA-N 351.479 4.126 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c1 216293522 MKGUCGNISDLSCW-AWEZNQCLSA-N 373.474 4.300 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2Cl)s1 223856427 LHYSARVWIMFNNJ-SNVBAGLBSA-N 371.915 4.346 0 40 FIAB C[C@H]1CCCN(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)C1 225338141 BLIOYJIYGRAGJC-AWEZNQCLSA-N 357.325 4.164 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OC(C)C 225792931 HFJMJKAOGFANSW-FQEVSTJZSA-N 365.470 4.040 0 40 FIAB Fc1cc(Br)ccc1NC(=S)NCCCc1ccco1 225805132 FELKEPFYTWYNLB-UHFFFAOYSA-N 357.248 4.100 0 40 FIAB CC(=O)O[C@@H]1[C@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@H]1OC(C)=O 252504754 FUSHLLXGTXLRMJ-FNAHDJPLSA-N 352.430 4.211 0 40 FIAB biogenic,in-vitro O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cccc(Br)c1 408527718 HFTLCXANTGWDMQ-UHFFFAOYSA-N 373.181 4.264 0 40 FIAB CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N(C)C1=S 409037419 CHCARCALRWJUCG-PTNGSMBKSA-N 360.523 4.017 0 40 FIAB COCCCN1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 409242524 VMDNAULOGLVUPP-GZTJUZNOSA-N 363.479 4.200 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 409336346 NSJJBXJMCAEZOV-AYOQOUSVSA-N 372.509 4.043 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1c(F)cccc1Cl 409378704 QOVLUJIMRCBYFU-AWEZNQCLSA-N 352.818 4.247 0 40 FIAB COc1cc(CNC[C@H](C)CN2CCCC2)ccc1OCc1ccccc1 513063330 YBAHTKOOBOMYRD-IBGZPJMESA-N 368.521 4.096 0 40 FIAB O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(Cc2ccccc2)[nH]n1 559544738 VFRPNJAMCATPEU-UHFFFAOYSA-N 370.412 4.440 0 40 FIAB Cc1cc(C(=O)NCC2(C(F)(F)F)CCC2)ccc1NC(=O)CC(C)C 585082135 MROJKKFEJRLKLO-UHFFFAOYSA-N 370.415 4.442 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)c2cc3ccccc3s2)c2ccco2)n1 585148060 DNKVYEDMQXRFIX-INIZCTEOSA-N 365.458 4.327 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1C[C@@H](C)C[C@@H](C)C1 18178266 FWOSHMYRARXRPU-OKILXGFUSA-N 359.901 4.320 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2c(C)cc3oc(=O)cc(C)c3c2O1 11866490 DHSYNTIJVANJBN-MRXNPFEDSA-N 350.370 4.125 0 40 FIAB biogenic COc1cc(C(=O)Nc2ccc3nc(C)sc3c2)ccc1OC(F)F 2625360 DIRRHLAVROCWPR-UHFFFAOYSA-N 364.373 4.467 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)o1 857083 AOBQHBIGZHGFPJ-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1)c1cccnc1 862975 KBEXDTTZPNPZHH-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB CCOc1ccc2nc3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 917084 HJNJMRHFNXGEEI-UHFFFAOYSA-N 370.459 4.139 0 40 FIAB CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccn3)c12 46740260 RTOBXBDIDYBNMT-LBPRGKRZSA-N 350.422 4.110 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 1359139 WAISNTCSQAMKNX-IBGZPJMESA-N 351.450 4.192 0 40 FIAB CC(=O)c1ccc(NC(=O)CN2CCSc3ccc(Cl)cc32)cc1 32809740 KJLOGGUGGPGJIT-UHFFFAOYSA-N 360.866 4.093 0 40 FIAB Cn1cc(CCCC(=O)N2CCO[C@H](c3ccccc3)C2)c2ccccc21 79476927 PDSAYYAGFXKKOK-QFIPXVFZSA-N 362.473 4.101 0 40 FIAB O=C(COC(c1ccccc1)c1ccccc1)NCCc1cccs1 32898712 XXIUMDDZQQZEQW-UHFFFAOYSA-N 351.471 4.213 0 40 FIAB CN(C)c1ccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32924725 CQROUIHSANLBTF-UHFFFAOYSA-N 365.408 4.009 0 40 FIAB CN(C(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 6226881 ZOJCSOGLGRLKFA-UHFFFAOYSA-N 373.528 4.418 0 40 FIAB COc1ccc(Cn2c([C@H](O)c3ccccc3)nc3ccccc32)cc1OC 7545483 IUJLQTNAKMBKLS-JOCHJYFZSA-N 374.440 4.184 0 40 FIAB O=C(C(=O)N1CCCC1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604414 WIFAONNMFHOCOQ-UHFFFAOYSA-N 352.821 4.065 0 40 FIAB O=C(COc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 7850531 GVWYUZZQOSYEHY-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB COc1c(C)cccc1CN1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100763748 GMYNYNIVJRHIRL-PMACEKPBSA-N 355.453 4.157 0 40 FIAB O=C(Nc1ccccc1F)c1ccccc1C(=O)Nc1ccccc1F 669220 OUDPZMICMINLCX-UHFFFAOYSA-N 352.340 4.469 0 40 FIAB COc1ccc(Cc2cnc(NC(=O)COc3cccc(C)c3)s2)cc1 887397 JSGBPNSEOVPMEO-UHFFFAOYSA-N 368.458 4.068 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@H]1CCc2ccccc21 24757784 JZTHDLIFBQZNPF-DYVFJYSZSA-N 358.869 4.261 0 40 FIAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 1824813 JIBCFIPUJUAEBC-UHFFFAOYSA-N 372.515 4.447 0 40 FIAB CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CCOC(C)C)cc1 72286728 KVUOIWJZIMUZEV-UXHICEINSA-N 363.498 4.097 0 40 FIAB CCCc1n[nH]c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)n1 58168841 MDAFRMFTMGDBAI-UHFFFAOYSA-N 370.265 4.406 0 40 FIAB Cc1cc(C)cc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 3329357 ISZWSBZKAGBMBF-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 12771098 FMDSUJXTCMIMIT-UHFFFAOYSA-N 366.461 4.045 0 40 FIAB CC(C)OP(=O)(CC(=O)Nc1ccc(F)c(Cl)c1)OC(C)C 2448829 QPRNYEGLUMPPPQ-UHFFFAOYSA-N 351.742 4.461 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@@H]2CCc3ccccc32)c1 45718970 JSQCMLWBYRZKMO-VBKZILBWSA-N 351.450 4.035 0 40 FIAB C/C=C/c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)c(OC)c1 3404666 MYGBASNLQBBEBF-SNAWJCMRSA-N 361.825 4.408 0 40 FIAB O=S(=O)(c1ccccc1Cl)N(Cc1c(F)cccc1Cl)C1CC1 12913016 VBATWSPXSZCKOT-UHFFFAOYSA-N 374.264 4.486 0 40 FIAB Cc1cc(C)c2c(c1)[C@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 13788134 MLVXSLHXOQBCLI-HSZRJFAPSA-N 366.424 4.399 0 40 FIAB O=C(CC1CCCC1)Nc1nnc(SCc2ccc(F)cc2)s1 6219335 IFRIOBHISKRLIZ-UHFFFAOYSA-N 351.472 4.488 0 40 FIAB O=C(NC1CC1)c1ccccc1NC(=O)c1cc(C2CC2)nc2ccccc12 6653530 OMSMALGRTXIDMM-UHFFFAOYSA-N 371.440 4.257 0 40 FIAB O=C(COc1ccc(Br)cc1)Nc1ccc(C(F)(F)F)cc1 21311829 NESRZZPYEKKYHB-UHFFFAOYSA-N 374.156 4.485 0 40 FIAB CC(C)n1c(SCC(=O)C(C)(C)C)nc2cc(Cl)ccc2c1=O 4948718 XKCNKXBWZVRQNU-UHFFFAOYSA-N 352.887 4.338 0 40 FIAB Cc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 9264500 KNIHNXFVWVCXHZ-INIZCTEOSA-N 371.440 4.098 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CCCc1nc(-c2cccnc2)no1 15669642 OVCBOWRVVDLJFL-UHFFFAOYSA-N 356.813 4.055 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@@H](C)c2ccccc2C)c1C 9218316 VBERIVLYKLJVOF-GOEBONIOSA-N 356.466 4.039 0 40 FIAB Fc1ccc(CSc2nnc(NC[C@H]3CCCO3)s2)c(Cl)c1 16330911 NVRJXOHKLKAUEY-LLVKDONJSA-N 359.879 4.214 0 40 FIAB c1ccc(-n2nc(SC[C@H]3COc4ccccc4O3)nc2C2CC2)cc1 8040199 TYECHPOGPPNCCG-MRXNPFEDSA-N 365.458 4.077 0 40 FIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 8191173 VLMFJQNJDWUYEZ-CQSZACIVSA-N 350.443 4.491 0 40 FIAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Cl 9498997 IFDJBPVJWWHZKG-UHFFFAOYSA-N 354.837 4.234 0 40 FIAB CN(Cc1ccc(F)cc1F)C(=O)c1c2c(nc3ccccc13)CCC2 95947855 HJDREXCKDMZARA-UHFFFAOYSA-N 352.384 4.274 0 40 FIAB Cc1nn(C)c2nccc(OCc3nc(-c4ccc(C(C)C)cc4)no3)c12 554955476 WYSRALDAEYNRMU-UHFFFAOYSA-N 363.421 4.029 0 40 FIAB CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1 408787242 VPYPRDIBYCMIGG-LVSKKATPSA-N 354.475 4.247 0 40 FIAB O=C(Nc1ccccc1)Nc1cnn(Cc2ccc(Br)cc2)c1 27920864 CDGMWOCPLJNNNR-UHFFFAOYSA-N 371.238 4.338 0 40 FIAB Cc1cccc(OCC(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32924738 JSPLPQGHCGUBTR-UHFFFAOYSA-N 366.392 4.017 0 40 FIAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 30757545 RRWQOZJLISDOSN-KRWDZBQOSA-N 355.478 4.335 0 40 FIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)c1 72369867 KGKMTLGAWLCIRV-MRXNPFEDSA-N 369.852 4.388 0 40 FIAB O[C@]1(c2ccccc2)C(N2CCOCC2)=C(c2ccccc2)c2ccccc21 31947469 OJLGLKHAXVIPKQ-VWLOTQADSA-N 369.464 4.028 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)sc2C1 40119807 AQXAEFSVQKVNDM-NSHDSACASA-N 370.503 4.368 0 40 FIAB CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OC 211503411 DEUSPNCUDGZLMW-BOPFTXTBSA-N 371.414 4.453 0 40 FIAB COc1ccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)cc1 71977388 SDDWAABFAQWPKP-UHFFFAOYSA-N 356.223 4.164 0 40 FIAB O=C(O)[C@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1 49466883 LJOROKHWAVUILV-VXKWHMMOSA-N 371.436 4.295 0 40 FIAB Cc1nc(C2(NC(=O)CCc3ccc(C(C)C)cc3)CCCCC2)no1 40141726 VOMPETGZCUWGOA-UHFFFAOYSA-N 355.482 4.410 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1ccccc1C(C)C 222809576 BFDJCNASYFDIJV-UHFFFAOYSA-N 355.478 4.337 0 40 FIAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 42124273 MBKZDUTXKODGLU-HNNXBMFYSA-N 354.450 4.483 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)s1 224590902 OEBULKSNCGWCEB-ROUUACIJSA-N 367.499 4.334 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 222896677 CSHFBWYOWCBHIC-HXUWFJFHSA-N 366.461 4.172 0 40 FIAB O=C(COc1ccccc1F)Nc1nnc(-c2ccc(Cl)cc2)s1 225594745 KLLOPPDLSNYQLZ-UHFFFAOYSA-N 363.801 4.015 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(SC(C)C)s1 223350550 HGHBEJNEFJIRIG-LLVKDONJSA-N 351.497 4.007 0 40 FIAB CCCC[C@@H](CC)CNC(=O)COc1ccc(Br)c(C)c1 224241563 QICWOIGSGACIDV-CQSZACIVSA-N 356.304 4.469 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1OC 223696407 RQQUBXLFCGGZMO-FQEVSTJZSA-N 353.462 4.048 0 40 FIAB CC(C)(C)c1ccc(OCCNC(=O)CCCOc2ccccc2)cc1 224142427 DLAFWEFZZPHZNL-UHFFFAOYSA-N 355.478 4.338 0 40 FIAB CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1nc(C2CC2)n2ccccc12 585083277 LQDBZTRWKBYZTR-GOSISDBHSA-N 363.461 4.444 0 40 FIAB Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)COC(C)C)C3)c2)cc1 257268920 MNUMPJDGDRHZEV-SFHVURJKSA-N 367.493 4.183 0 40 FIAB Cc1ccc(C2=C[C@@H](c3ccc(Br)cc3)NC(=S)N2)cc1 1775966958 WOZFGMKMWWBRJI-INIZCTEOSA-N 359.292 4.317 0 40 FIAB Cc1noc(C)c1CC(=O)N(Cc1ccccn1)c1ccc(Cl)cc1 55788993 PHZAEZNGXQAOPC-UHFFFAOYSA-N 355.825 4.116 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 70830054 YSFIJIPZQDCAAC-CYBMUJFWSA-N 372.412 4.057 0 40 FIAB CC(C)(C)CC(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12221083 WRWSNUJYWJDEAY-MRXNPFEDSA-N 352.482 4.105 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1cccc(Cl)c1 13070199 QRAHHADKRMMKAP-UHFFFAOYSA-N 359.809 4.103 0 40 FIAB O=C(c1cccc(Cn2cccn2)c1)N(Cc1ccncc1)C1CCCCC1 19293264 VFSHDAIOGIRQCI-UHFFFAOYSA-N 374.488 4.302 0 40 FIAB Clc1ccc(OCc2cc([C@H]3CCN(Cc4ccncc4)C3)n[nH]2)cc1 19695887 NDFAIIBAQYLVSJ-INIZCTEOSA-N 368.868 4.027 0 40 FIAB O=C(NC(=S)Nc1ccccc1Cl)c1cc(Cl)cnc1Cl 2564913 UBRFOGZBVJWUPQ-UHFFFAOYSA-N 360.653 4.169 0 40 FIAB COc1ccccc1OC(=O)/C=C/c1c(C)nn(-c2ccc(F)cc2)c1C 7007473 QHAJRYYGXPGCEV-OUKQBFOZSA-N 366.392 4.256 0 40 FIAB CC(C)(C)[C@H]1COC(C2(C3=N[C@@H](C(C)(C)C)CO3)Cc3ccccc3C2)=N1 1988179727 GABYPOAAACQAAR-QZTJIDSGSA-N 368.521 4.458 0 40 FIAB CC(=O)Nc1ccc(C(=O)N2CCS[C@@H](c3ccccc3F)CC2)cc1 219078347 KBPMWRFPAUIDFP-LJQANCHMSA-N 372.465 4.105 0 40 FIAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1cn[nH]c1 40157456 BDZRGUUVVQYYIY-ZDUSSCGKSA-N 360.767 4.157 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C 20899436 OMOCLKHLWDSWOC-INIZCTEOSA-N 365.433 4.376 0 40 FIAB Cc1ccc(C(=O)N[C@@H](Nc2ccccc2C)C(=O)c2ccccc2)cc1 631800 ZFHDSXWUDZIRQP-JOCHJYFZSA-N 358.441 4.354 0 40 FIAB Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3ccncc3)ccc12 803922 HJLDBMSHFZDKJT-UHFFFAOYSA-N 364.405 4.332 0 40 FIAB O=C1CS[C@H](c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1 1402927 AGCYUAGYSMZZPQ-OAHLLOKOSA-N 351.349 4.053 0 40 FIAB CC(C)CO[C@@H](C)OC[C@@H](C)Cc1cc2c(cc1Br)OCO2 1848585 BPJPRYBHLYSZHZ-QWHCGFSZSA-N 373.287 4.392 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)c1C 1892650 PXBIZWDDRWOSRV-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB CSc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2428997 BGIJMCRODVCADN-XSEIIIHRSA-N 364.514 4.436 0 40 FIAB CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 2534245 XNXUELOSQOEMNU-KGLIPLIRSA-N 353.344 4.365 0 40 FIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)cc1 2703751 ARBFEPSDUWDGOP-LJQANCHMSA-N 363.413 4.147 0 40 FIAB Cc1ccc(NC(=S)NC(=O)C2CCCCC2)c(Br)c1 3244999 JVNMMMAQNMQZHL-UHFFFAOYSA-N 355.301 4.151 0 40 FIAB CC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 3350511 ZZFPAKSPPGGCES-CQSZACIVSA-N 355.438 4.202 0 40 FIAB Cc1cccc(N2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)c1C 3613620 VLVXGVRIXDJIGH-UHFFFAOYSA-N 374.937 4.398 0 40 FIAB C[C@]12C(=O)N(c3cc(Cl)c(Cl)c(Cl)c3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4380264 VKZOVFGPABOWFY-IZKSIWMISA-N 356.636 4.348 0 40 FIAB Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3ccccc32)cc1 4829708 VZQSNARBCMSSON-UHFFFAOYSA-N 351.475 4.048 0 40 FIAB O=C(Cn1nnc2ccccc21)Nc1cc(Cl)c(Cl)cc1Cl 5109801 BYOYEVOSSHCSEJ-UHFFFAOYSA-N 355.612 4.030 0 40 FIAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2)N1c1ccccn1 5206159 NWYGFTJOXMNBLR-LJQANCHMSA-N 372.355 4.077 0 40 FIAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1C1CC1 5401209 CNNKDWLPUTYCGU-UHFFFAOYSA-N 356.495 4.219 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1C 6720858 DXZDFALWWQKRNR-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB COc1cc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)ccc1O 7325313 XYXRQTIPNWLUIY-SDQBBNPISA-N 363.200 4.028 0 40 FIAB CN(C)C(=O)[C@H](OC(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 7424962 GTKYCKKYAXPPFB-LJQANCHMSA-N 367.376 4.072 0 40 FIAB Cc1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)c(Br)c1 7545378 SCHFNRBEODBRGF-QGZVFWFLSA-N 360.251 4.156 0 40 FIAB O=C(c1ccccc1)c1cc[n+](Cc2ccc(Br)cc2)cc1 7744165 TTZSDMJEPNVHFD-UHFFFAOYSA-N 353.239 4.016 0 40 FIAB COc1ccc(-c2csc(NC(=O)C3=Cc4ccccc4OC3)n2)cc1 7921786 OGRDDENJVXNOCP-UHFFFAOYSA-N 364.426 4.233 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1ccc(C)cc1C 9250280 WDLPJHZKDMMQEN-UHFFFAOYSA-N 365.477 4.101 0 40 FIAB CN(C)c1ccc([C@@H](CNC(=O)c2ccc[nH]2)c2c[nH]c3ccccc23)cc1 9549980 UKCBFVMEHQSTPK-LJQANCHMSA-N 372.472 4.124 0 40 FIAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)cc3)=NN12 10213796 BMOMVFKJPUJULF-NRFANRHFSA-N 361.489 4.351 0 40 FIAB CCSc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 10252463 NBZMPHTZHSWSTE-UHFFFAOYSA-N 374.531 4.019 0 40 FIAB O=C(Nc1cccc2ccccc12)NC1CCN(C(=O)c2ccccc2)CC1 11006211 YFFGSMQGWUSVRV-UHFFFAOYSA-N 373.456 4.266 0 40 FIAB CCn1cncc1CN(Cc1ccc(C)o1)C1CC(C)(C)NC(C)(C)C1 12116746 GCFXOCSUMBZCEV-UHFFFAOYSA-N 358.530 4.116 0 40 FIAB O[C@@H](CN1CCCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421974 FIOBYMQSTLWAEX-INIZCTEOSA-N 360.929 4.410 0 40 FIAB CN(C(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1 12559542 CBWAGEUZVXWBCA-UHFFFAOYSA-N 357.413 4.190 0 40 FIAB CC[C@H](Sc1nnc(-c2ccoc2C)o1)C(=O)Nc1ccc(F)cc1 12724830 CZVXZXMCWTXQAB-AWEZNQCLSA-N 361.398 4.287 0 40 FIAB CN(C)C1(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)CCCCCC1 12912090 YUAOHZWBGDQGMA-UHFFFAOYSA-N 373.541 4.056 0 40 FIAB COc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 12998718 LRYGHLUOMFYQMO-OAHLLOKOSA-N 352.459 4.325 0 40 FIAB C[C@H]1CCCCN1c1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 13135660 PNPJHJONFKACSA-LBPRGKRZSA-N 352.438 4.001 0 40 FIAB COC(=O)c1c(NC(=O)c2ccccc2OC(C)C)sc2c1CCCC2 14663996 NRNPYQZUWXWWQV-UHFFFAOYSA-N 373.474 4.453 0 40 FIAB CCC(=O)N1CCCc2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc21 17247818 AXQITNTYARVKRK-UHFFFAOYSA-N 366.461 4.415 0 40 FIAB Cc1cccc(CSCC(=O)Nc2nnc(-c3ccccc3)s2)c1 18702967 ZOCLWJBKWATYOQ-UHFFFAOYSA-N 355.488 4.385 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](c2ccncc2)c2cccs2)cc1C 19214212 MGTKIAXPULWWLH-JXFKEZNVSA-N 366.486 4.433 0 40 FIAB CCCC(=O)N1CCCC[C@@H]1c1nc(CCC)ncc1-c1cc(C)no1 19525510 ONTKRLJFXVMDFV-MRXNPFEDSA-N 356.470 4.246 0 40 FIAB CN(Cc1ccc(-c2ccccc2)cc1)Cc1cc(C2CCNCC2)nn1C 19710204 LPDUBKIBQJMSHB-UHFFFAOYSA-N 374.532 4.186 0 40 FIAB Fc1cc2ncn(Cc3cc(Cl)c4c(c3)OCCCO4)c2cc1F 24427646 LXLUAYXYYOEEGZ-UHFFFAOYSA-N 350.752 4.178 0 40 FIAB C[C@@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)C1 26959426 ZEWJDBVDVMWWGN-OAHLLOKOSA-N 370.880 4.393 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)no2)cc1 27580035 BYJOGZJPMUPRPW-UHFFFAOYSA-N 372.450 4.043 0 40 FIAB CC(C)(C)c1ccc(O)c(NC(=O)CCc2nnc(-c3ccsc3)o2)c1 30891327 QDRKKCJIGUNOPD-UHFFFAOYSA-N 371.462 4.373 0 40 FIAB CC(=O)Nc1cccc(-n2c(C)nnc2SCc2ccccc2C)c1 32778979 HZCYBICBPUVXHL-UHFFFAOYSA-N 352.463 4.135 0 40 FIAB CC1CCN([C@@H](CNC(=O)c2cccc(N(C)C)c2)c2cccs2)CC1 33028226 JCFFTYZRURASSE-IBGZPJMESA-N 371.550 4.017 0 40 FIAB COc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCC3)nc12 36676077 ZZOJDANTLWFYEC-UHFFFAOYSA-N 353.447 4.033 0 40 FIAB O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 40073335 QPKCIMHBXYCZOP-MRXNPFEDSA-N 369.292 4.047 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)c(OC)c1 40267401 FQQZUVLKJSFXBJ-HNNXBMFYSA-N 367.380 4.152 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)c1 40913194 SMAPLIIGLOLNRJ-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)N(C)C2CCCCC2)cc1Cl 41095635 STLNLHFPJKPLBW-UHFFFAOYSA-N 366.310 4.345 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 43668781 WSAZHKMQJZAURX-GFCCVEGCSA-N 367.405 4.283 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 44852957 TXLCCXYKXUHRTN-LJQANCHMSA-N 366.505 4.178 0 40 FIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)[C@@]1(C)CC1(Cl)Cl 58391687 YWGIOEAMLGZHBM-OAHLLOKOSA-N 368.289 4.459 0 40 FIAB CCCc1ccc(NC(=O)CNc2ccc(F)c(NC(=O)OC)c2)cc1 66827557 ZJNVWHHFYYQOKT-UHFFFAOYSA-N 359.401 4.007 0 40 FIAB Cc1ccc([C@H](C)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)s1 72311317 AOVGWZPZSRBNRP-AWEZNQCLSA-N 365.458 4.446 0 40 FIAB COc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccccn2)n1 72357717 KIWRYKRQHBNUTP-QFIPXVFZSA-N 359.473 4.413 0 40 FIAB C[C@@H]1CCC[C@H](CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 102309822 IQEOQPCLNGNJLT-CVEARBPZSA-N 368.481 4.054 0 40 FIAB COc1ccc(CN(C)c2nc(-c3ccncc3)nc3ccccc23)cc1 105569916 CPLOIGQVLMCRLA-UHFFFAOYSA-N 356.429 4.337 0 40 FIAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927639 IMCAGDYYNWESSO-SIGPQHBASA-N 374.521 4.203 0 40 FIAB O=S(=O)(c1cccs1)N1CCS[C@@H](c2ccccc2Cl)CC1 207000779 KCTOOURELVDMEP-CQSZACIVSA-N 373.952 4.270 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620489 JTXJBRSOEXRILP-GOSISDBHSA-N 355.365 4.065 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 224605149 CBXSHTVFUXEBDB-SFHVURJKSA-N 355.478 4.218 0 40 FIAB CC(C)[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br 225210409 DXGHGPYHNVZINX-LBPRGKRZSA-N 356.304 4.286 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 225257451 LKPOTIXCSMUEJG-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccccc3F)oc12 226270623 WOHBGPLXBDDOKL-UHFFFAOYSA-N 352.287 4.467 0 40 FIAB C[C@H](c1nc2ccccc2o1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 245533250 DKCNABNCFACOBG-HZPDHXFCSA-N 365.481 4.086 0 40 FIAB Cc1nn(CC(C)C)c(C)c1NC(=O)[C@H](C)n1cc(-c2ccccc2)cn1 257173465 OICSQGOFNIUYCX-KRWDZBQOSA-N 365.481 4.219 0 40 FIAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccc3ccccc3c2)nc1 257257215 KOOUVSDVHFMMER-QHCPKHFHSA-N 359.473 4.208 0 40 FIAB CCS(=O)(=O)c1ccc([C@H](C)N=c2cc(C)[nH]c3ccc(F)cc23)cc1 514828383 BKJAZMHROZSGON-AWEZNQCLSA-N 372.465 4.071 0 40 FIAB Clc1cc(-c2noc(CC[C@H]3CCCCO3)n2)cc2c1OCCCO2 546248580 IRAWQJRYKKQCNA-CYBMUJFWSA-N 364.829 4.053 0 40 FIAB O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CC[C@@H](c2cccnc2)C1 573807957 FIIJOQQTIHSUMQ-MLGOLLRUSA-N 351.233 4.004 0 40 FIAB COc1ccc([C@@H]2CCN(C(=O)N[C@H]3CCCOc4ccccc43)C2)cc1 624234557 YDGWBBBLKACBGQ-XLIONFOSSA-N 366.461 4.108 0 40 FIAB CSc1ncccc1C(=O)NC[C@@H](c1csc2ccccc12)N(C)C 670630606 YDCVXWGVNADCOE-INIZCTEOSA-N 371.531 4.051 0 40 FIAB Cn1ccc2ccc(NC(=O)N[C@@H]3CCc4c(Cl)cccc43)cc2c1=O 1624579326 LSILFNNBGKLRTC-GOSISDBHSA-N 367.836 4.001 0 40 FIAB COc1ccc2cc(-c3nnc(Nc4ccccc4)s3)c(=O)oc2c1 846037 HRSDYCHTROCIJI-UHFFFAOYSA-N 351.387 4.064 0 40 FIAB Cc1nc(-c2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCCO4)cs1 858311 ARXBZLDSJMZKLY-UHFFFAOYSA-N 369.320 4.015 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c(C)c1 869036 ZBFFDCZTQXIPQB-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB Cc1ccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1C 1452579 KSMXXSQJUQGOJE-HXUWFJFHSA-N 364.470 4.416 0 40 FIAB CCOc1ccc(-c2nc(N)ncc2Oc2ccccc2OCC)c(O)c1 2404930 HWSBYCOGTMKICM-UHFFFAOYSA-N 367.405 4.021 0 40 FIAB biogenic CCCn1c(C)cc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c1C 2646440 PWPDWYILSBZZLH-UHFFFAOYSA-N 353.418 4.191 0 40 FIAB O=C(CSc1n[nH]c2nc3ccccc3n12)c1ccc2c(c1)CCCC2 4266859 NDAXCRIEBJWUSI-UHFFFAOYSA-N 362.458 4.064 0 40 FIAB CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nc2ccccc21 4484437 FRSQDJHAURGBGA-KRWDZBQOSA-N 365.502 4.342 0 40 FIAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2cccnc2)CCCCC1 4682414 RBCAKQZMMNQYGU-UHFFFAOYSA-N 365.477 4.112 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1C 4867151 ZUCMQONDEZFSEI-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB COc1ccccc1-n1c(C(Cl)(Cl)Cl)nc2ccccc2c1=O 5918982 FUAHJPMPFWYBFE-UHFFFAOYSA-N 369.635 4.221 0 40 FIAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)o1 6278962 GLORNTRJCGWKON-LLVKDONJSA-N 360.479 4.152 0 40 FIAB COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1OC 6441178 BTWIWCZGZNRYQW-NTUHNPAUSA-N 359.219 4.289 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(OC)c(Br)c2)cc1 6555782 DLPOVCWGPWSTCR-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cc(F)ccc1F 6566813 ZMGUBMPJKBUOPT-UHFFFAOYSA-N 370.384 4.077 0 40 FIAB COc1ccccc1/C=C/C(=O)NCc1ccccc1CN1CCCCC1 7850027 REFUXEGOGCTWCH-BUHFOSPRSA-N 364.489 4.011 0 40 FIAB C[C@H]1CCCCN1CCCNC(=O)c1cc(C2CC2)nc2ccccc12 8351544 FKVVMUZIFHEEOU-INIZCTEOSA-N 351.494 4.107 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1F 8497516 WUXGZCHYIWRQJS-JTQLQIEISA-N 368.202 4.003 0 40 FIAB Cc1ccc2nc(CNc3ccc4c(c3)Cc3ccccc3-4)cc(=O)n2c1 8720669 XLWBGZKIVYFISS-UHFFFAOYSA-N 353.425 4.186 0 40 FIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Cl)cc1Cl 8756772 DHGVMHVUKRXSLQ-UHFFFAOYSA-N 361.228 4.449 0 40 FIAB C[C@@H](NC(=O)CSc1ncnc2ccsc12)c1cc2ccccc2o1 9478066 RMOUDJZWOKUONP-LLVKDONJSA-N 369.471 4.407 0 40 FIAB COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cccs3)C[C@H]21 10216102 ZHBKRIVHMRGSTP-UZLBHIALSA-N 363.442 4.394 0 40 FIAB O=C(CSCc1ccc(Br)cc1)N1CCc2ccccc21 10449010 DLTGEHVFPNUEBL-UHFFFAOYSA-N 362.292 4.272 0 40 FIAB COc1c(S(=O)(=O)Nc2ccccc2Cl)ccc(Cl)c1Cl 12042874 CBOFJAFJXCJYJO-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12771986 JQLYPEOOPOZACO-UONOGXRCSA-N 355.409 4.080 0 40 FIAB Cc1cc(C)c(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)c(C)c1 12894985 OJFIDIYSYQMTFO-UHFFFAOYSA-N 370.474 4.332 0 40 FIAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Cl)cc1F 12914069 NUEPFFIHUWUVQG-CYBMUJFWSA-N 359.875 4.239 0 40 FIAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1F 12941280 KYNGVXQGEVKTTA-NRFANRHFSA-N 366.461 4.473 0 40 FIAB Cc1ccccc1CNC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 12946587 ZFQPYVDQYIHPEJ-NRFANRHFSA-N 368.477 4.353 0 40 FIAB CC(C)(C)c1nc(CSc2nnc3c(Cl)cc(Cl)cn23)no1 12983464 DUKSIOTVOKDWMA-UHFFFAOYSA-N 358.254 4.009 0 40 FIAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 13085129 VHKAIDNSKZWWLN-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc2c(c1)OCCCO2 14108278 JCEUBEWVZQEBMZ-YVARQFDVSA-N 355.459 4.069 0 40 FIAB COc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)[nH]2)cc1 14137438 OKBRRENYBMQLLV-UHFFFAOYSA-N 364.430 4.428 0 40 FIAB CNC(=O)c1ccc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)cc1 14263179 NMRXJASIBNAHAV-UHFFFAOYSA-N 374.440 4.039 0 40 FIAB O=C(c1ccccc1)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 15996647 OLECALLWPJYOSZ-TUNNFDKTSA-N 353.437 4.334 0 40 FIAB COc1cccc(NC(=O)CSc2nc3ccccc3n2C(F)F)c1 16702264 ICAKUJXFAWMSFS-UHFFFAOYSA-N 363.389 4.171 0 40 FIAB CCc1ccc2c(C)nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc2c1 18223208 JYSHSEIFELZZAK-UHFFFAOYSA-N 365.481 4.225 0 40 FIAB COc1ccc(C[C@@H](NC(=O)[C@H]2CC=CCC2)c2ccc(OC)cc2)cc1 18705156 CZZKFOVJCLXFNT-SIKLNZKXSA-N 365.473 4.460 0 40 FIAB Cc1cccc(C)c1NCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O 19235746 GAKHQBWZWGDNNK-UHFFFAOYSA-N 358.445 4.251 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 19928145 LDWNVGJCFWNZHU-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB O=c1c(-c2nc(-c3cccc(Br)c3)no2)c[nH]c2ccccc12 20721322 PGEJEJFNSJWWRJ-UHFFFAOYSA-N 368.190 4.008 0 40 FIAB C[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1cccc2ccccc12 22974549 VIHUVVUEIZBBND-MRXNPFEDSA-N 374.440 4.405 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc2ncccc12 23055213 UHKLDJKDKHGBPX-UHFFFAOYSA-N 350.466 4.275 0 40 FIAB CCN1CCC[C@@H]1CNCc1cccc(NC(=O)c2ccccc2Cl)c1 23303148 RXAFXGBWGRWNEC-GOSISDBHSA-N 371.912 4.166 0 40 FIAB Cc1ccc2cccc(OCC(=O)Nc3ccc(N4CCCC4)cc3)c2n1 29376753 QJNYLEVQBAPOMU-UHFFFAOYSA-N 361.445 4.161 0 40 FIAB CN(C)[C@H](CNC(=O)c1cc(Cl)nc2ccccc12)c1cccc(F)c1 29837177 YATPVRSDSYEVQX-GOSISDBHSA-N 371.843 4.060 0 40 FIAB COc1ccc(CCNc2nc(C3CC3)cc(C(F)(F)F)n2)cc1OC 36613223 PEJLVWNMHGNFOX-UHFFFAOYSA-N 367.371 4.045 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(OC)cc1 38500961 WQOPFEZDVFPLAM-UHFFFAOYSA-N 369.396 4.061 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cn1 40110749 ZKJWREMGVKVMDS-UHFFFAOYSA-N 355.413 4.300 0 40 FIAB COc1ccc(C2=Nn3c(-c4ccccc4)nnc3-c3ccccc3C2)cc1 40545068 ZXSRPRSVRLYNRN-UHFFFAOYSA-N 366.424 4.429 0 40 FIAB COc1ccc(NC(=O)NCc2ccc(F)c(C)c2)cc1OC(F)F 43995289 JXOXTTSQMWARMX-UHFFFAOYSA-N 354.328 4.066 0 40 FIAB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccccc2)cc1 44086055 PATPYKYHAJSCOY-UHFFFAOYSA-N 365.502 4.464 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCC(C)CC1 44850194 FYWHOSCICHXZPT-OAQYLSRUSA-N 368.521 4.235 0 40 FIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1[nH]c2ccc(F)cc2c1Cl 45059502 CDLOHSWORZOFED-UHFFFAOYSA-N 371.799 4.340 0 40 FIAB Cc1c(Cl)ccc(S(=O)(=O)n2c(C)nc3ccccc32)c1Cl 48044462 QCSALOWKRUASIR-UHFFFAOYSA-N 355.246 4.197 0 40 FIAB Fc1ccc(-c2nnc(CN3CCO[C@H](c4ccc(Cl)cc4)C3)o2)cc1 53369199 FVNIJUZHBJMGCG-KRWDZBQOSA-N 373.815 4.103 0 40 FIAB Cc1ccc(CN(C)Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)o1 57315272 HTLIOCFPYCIWJK-UHFFFAOYSA-N 365.458 4.185 0 40 FIAB O=C(Nc1ccc(OC(F)F)c(F)c1)c1cccc(Nc2ncccn2)c1 57392513 LACVEGHMCRXKCM-UHFFFAOYSA-N 374.322 4.213 0 40 FIAB Cc1ccc([C@@](O)(CCNc2nc3ccccc3s2)C(F)(F)F)o1 58356894 OPTDAEPVETXZLO-HNNXBMFYSA-N 356.369 4.450 0 40 FIAB COc1ccc(CSc2nnc(SCCCCCO)s2)cc1 60330977 DALLKTIUMPAZDS-UHFFFAOYSA-N 356.538 4.094 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1C 69367467 GQCSCCUMJUUGTO-UHFFFAOYSA-N 360.413 4.317 0 40 FIAB CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(C)C)[nH]n1 71969086 ZCQRMMRWKZCEQA-UHFFFAOYSA-N 368.250 4.097 0 40 FIAB CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72350285 QNIMHLQCQGRHHO-HXUWFJFHSA-N 360.505 4.268 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72360313 NBWPMRZBMPEPNZ-SFHVURJKSA-N 365.481 4.086 0 40 FIAB COc1cc(-c2ccccc2)sc1C(=O)NCc1cn2ccsc2n1 95356602 FZGGUSLVGCBCJQ-UHFFFAOYSA-N 369.471 4.063 0 40 FIAB C[C@@H]1CN(C(=O)c2cc3cc(Br)ccc3o2)c2cccnc2O1 95973368 RCPBLLSTMUHCNI-SNVBAGLBSA-N 373.206 4.018 0 40 FIAB CC(C)[C@H](O)C1(CN[C@H]2CCCOc3cc(Br)ccc32)CC1 95988232 BVEYUJHFXOYVMI-RDJZCZTQSA-N 368.315 4.050 0 40 FIAB C[C@@H]1CCCN1C(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96266988 PEAUNNUNUMXCQO-QGZVFWFLSA-N 370.456 4.417 0 40 FIAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1Cl 101277139 TXVBKIOSCWHOBZ-CYBMUJFWSA-N 369.635 4.391 0 40 FIAB O=C(CSc1nc2ccccc2o1)N1CCS[C@@H](c2ccco2)CC1 219367066 XJNQTJIMLGINHM-MRXNPFEDSA-N 374.487 4.220 0 40 FIAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 223843095 URCKKGCGKCZJKT-IAGOWNOFSA-N 353.472 4.026 0 40 FIAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccc(OC)cc1 224595341 HQJCTWGBBCBRMH-UHFFFAOYSA-N 357.450 4.059 0 40 FIAB CCOc1ccc(C(=O)NCCSCc2ccccc2C)cc1OCC 225060227 VMJVVFJAKPRYML-UHFFFAOYSA-N 373.518 4.456 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225470278 OTKMYSXSDXAVKT-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB O=C(c1c[nH]c2ccccc12)N1CCC(Oc2cccc3cccnc23)CC1 225705876 LATOYPUNESIXGG-UHFFFAOYSA-N 371.440 4.400 0 40 FIAB NC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340749 REKYYRVYJVOQHM-VOTSOKGWSA-N 366.642 4.180 0 40 FIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccnc(O[C@@H]2CCOC2)c1 252482222 DAYJPHULLUNAJQ-LJQANCHMSA-N 372.424 4.073 0 40 FIAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(C)c(O)c(C)c4)OCC[C@@]31C2 257217122 CXNXUKZLKULADI-FPIWTNIKSA-N 357.494 4.028 0 40 FIAB C[C@H]1CCCN(c2ccc(NC(=S)N[C@H](C)c3ccccc3)cn2)C1 260692629 DVQZASQDGQOQFF-JKSUJKDBSA-N 354.523 4.366 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 408652586 DMZLPQJMZSOIOR-LJQANCHMSA-N 365.473 4.387 0 40 FIAB CCOC(=O)C1=C(c2ccccc2)NC(SCC)=N[C@@H]1c1ccccc1 408993931 XOKJJGPLUUUKHB-GOSISDBHSA-N 366.486 4.414 0 40 FIAB C[C@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 524734261 NQQODBDWMJAXEP-KSSFIOAISA-N 364.474 4.283 0 40 FIAB Cc1nc(-c2ccc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](c3ccccc3)C4)cc2)n[nH]1 572500184 ZWROSVHCYXPOSS-WKCHPHFGSA-N 372.472 4.331 0 40 FIAB O=C(NCc1cccs1)NC[C@@H](O)c1ccc(-c2cccs2)s1 585148207 QWSDPEAVFALIHU-GFCCVEGCSA-N 364.517 4.071 0 40 FIAB O=C(NCCOc1ccccc1)NCc1cc(-c2ccsc2)cs1 1775971738 LTOQSKXBENJENY-UHFFFAOYSA-N 358.488 4.355 0 40 FIAB O=C(c1cccc(-n2cccc2)c1)N1C[C@@H](n2ccnc2)Cc2ccccc21 1775996513 YJBWOLOGIXZHAQ-NRFANRHFSA-N 368.440 4.118 0 40 FIAB COC(=O)c1ccc(C(=O)NCc2cc(-c3ccsc3)cs2)cc1 1889078040 VNGPYMMGQXLPFD-UHFFFAOYSA-N 357.456 4.193 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCCCCC2)cc1 11915573 DFBWOCVBVVAHGW-OAQYLSRUSA-N 370.468 4.181 0 40 FIAB biogenic CCc1nnc(NC(=O)c2ccccc2OCc2ccc(F)cc2)s1 2620273 JJRLEFABFWHQIM-UHFFFAOYSA-N 357.410 4.071 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCc1cccc2c1OCO2 60527048 SKEPFZIDTSAHKT-UHFFFAOYSA-N 369.852 4.161 0 40 FIAB CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1C(C)C 1364243 QIAHRHBUOVZYFW-UHFFFAOYSA-N 352.891 4.196 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2noc(-c3ccc(Cl)cc3)n2)c1C 21800649 SDMRFYBILQCOOQ-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1ccc(Br)cc1 7645449 JVEUUIJYMHDOLJ-CQSZACIVSA-N 362.267 4.322 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccccc3)nc2C)c1 7996243 VOOHIVRLFRPBBO-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB FC(F)(F)c1ccc2nnc(CNCc3cccc4ccccc34)n2c1 53150147 WIBLNJIQKGJCBV-UHFFFAOYSA-N 356.351 4.191 0 40 FIAB O=C(NCCCN1CCCC1)c1ccc(CSc2ccccc2)cc1 10450010 YUAOLYXUHDHFHX-UHFFFAOYSA-N 354.519 4.195 0 40 FIAB O=C(CCn1ccc2ccccc21)OCc1cc(Cl)cc2c1OCOC2 22762478 TZPXIYRUHMJXHO-UHFFFAOYSA-N 371.820 4.295 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NCCSc3ccccc3)CC2)cc1 9063110 CYVBPRZHPWVIEN-UHFFFAOYSA-N 368.546 4.116 0 40 FIAB CC(C)(C)C1CCC(C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 23640790 KGYCVBAREIQVPG-UHFFFAOYSA-N 358.526 4.310 0 40 FIAB Cc1nccn1-c1ccc(NC(=O)c2cc3c(F)cccc3s2)cn1 47275734 DLPURFISAQLKEY-UHFFFAOYSA-N 352.394 4.182 0 40 FIAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccccc1Cc1ccccc1 47502308 VPSMTSGOPJVGMU-UHFFFAOYSA-N 372.346 4.237 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 20459955 GKCJTOCGEZURKE-IBGZPJMESA-N 355.434 4.276 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@H]1CCc1ccccc1 55486806 MEWNLPVDEORCSB-UJGDBWEASA-N 357.885 4.019 0 40 FIAB O=C1CS[C@@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1402965 XXYCADMQCZUZFE-HNNXBMFYSA-N 352.242 4.341 0 40 FIAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100755122 IJUBJARZEOLNML-BWJCXGRJSA-N 365.945 4.372 0 40 FIAB C[C@@H](NC(=O)Cc1cccc(O)c1)c1cccc(NC(=O)c2ccccc2)c1 58114518 GRRLNBUFAHTMJU-MRXNPFEDSA-N 374.440 4.064 0 40 FIAB COc1ccccc1OCCSc1nnc(C2CC2)n1-c1ccccc1 2126885 FNAXOYWEWVIARL-UHFFFAOYSA-N 367.474 4.324 0 40 FIAB COc1ccc2cc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)c(C)nc2c1 25145349 ZJMHUYLGBRPFBQ-KGLIPLIRSA-N 366.383 4.403 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc(NC(=O)C4CC4)cc3)cc2s1 10784054 VHCLJTUEKBKRIG-UHFFFAOYSA-N 351.431 4.206 0 40 FIAB Cc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccccn2)cc1 2327235 BPVJNJAHDCHODN-QGZVFWFLSA-N 366.490 4.299 0 40 FIAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)C1(c2cccc(Cl)c2)CC1 48174444 XYPQMZKCEARIBC-INIZCTEOSA-N 354.881 4.014 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1 3345064 RNLRIWABLPLAEC-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB Cc1occc1-c1nnc(S[C@H]2CCCCC2=O)n1-c1ccccc1 3416005 CLLGMGFTJNRANI-KRWDZBQOSA-N 353.447 4.440 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1c(Cl)cccc1Cl 3512626 WVIOXYCBURFTSX-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1SC(F)F 12926574 LQHRTDJJKHXEMM-UHFFFAOYSA-N 362.401 4.380 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(F)c2)o1 8733999 SUOGQIHDPKMLQQ-UHFFFAOYSA-N 373.409 4.005 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN(Cc2ccc(Cl)s2)CC1 14093136 VMOGCQLMXFFRLT-UHFFFAOYSA-N 360.866 4.106 0 40 FIAB COc1ccc(CN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 7388078 YSFBPYPYQUQHLT-OAQYLSRUSA-N 364.420 4.304 0 40 FIAB COc1cc(OC)c(NC(=O)CCOc2cc(C)ccc2C)cc1Cl 7986850 UDKIVUDOPNQJFE-UHFFFAOYSA-N 363.841 4.382 0 40 FIAB O=C(N[C@H]1CCCc2occc21)C1(c2ccc(Br)cc2)CC1 97133224 KFTWNHDOVJZPJR-HNNXBMFYSA-N 360.251 4.268 0 40 FIAB COc1ccc([C@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)C)cc1 23771143 HNPJUYSOKVYKFQ-OAQYLSRUSA-N 351.450 4.018 0 40 FIAB CCc1cc(C(N)=O)c(NC(=O)C(c2ccccc2)c2ccccc2)s1 27915411 WQBOHBVYTYPYAY-UHFFFAOYSA-N 364.470 4.180 0 40 FIAB CC(C)Oc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl 409009892 AJDUVAZTXQQRGA-LFIBNONCSA-N 356.809 4.225 0 40 FIAB COCCNC(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 66979496 HFVHKCULNFMLPT-UHFFFAOYSA-N 354.328 4.266 0 40 FIAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72349087 AULRQRZGQLFHRV-LJQANCHMSA-N 373.456 4.172 0 40 FIAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1n[nH]c(C2CCCCC2)n1 524734311 RVPDEWXTAFSCGJ-MRXNPFEDSA-N 369.494 4.334 0 40 FIAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccccn3)N1CC2 72342212 XDKQIQFOFMJEQJ-XZOQPEGZSA-N 373.456 4.171 0 40 FIAB CCc1nc(NC(=O)c2cc(OC)ccc2Br)sc1C 44701695 BJHPKEZXQQKYIU-UHFFFAOYSA-N 355.257 4.037 0 40 FIAB CCc1ccc(CC)c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 223385676 SRWJAXLXNZJIGT-FMIVXFBMSA-N 353.462 4.158 0 40 FIAB COc1cccc(CCCNC(=O)COc2ccccc2C(C)(C)C)c1 222796868 OBVATEWWEQCAIW-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB Cc1cc(C(F)(F)F)nc(N2CCC(Oc3ccc(F)cc3F)CC2)n1 569856258 QHADWQPYQNNCLX-UHFFFAOYSA-N 373.325 4.130 0 40 FIAB Cc1ccc(CSCCNC(=O)Cc2ccc(Cl)cc2F)cc1 225840062 KHPOEGOPNQUNBQ-UHFFFAOYSA-N 351.874 4.380 0 40 FIAB O=C(NCc1ccc(Cl)cc1)c1snnc1-c1ccc(Cl)cc1 225768923 SZHNIZQAOHKWGM-UHFFFAOYSA-N 364.257 4.442 0 40 FIAB CSc1cccc(NC(=O)CCc2nc(-c3ccccc3C)no2)c1 225816219 LLDJNKZKTMZDIH-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223059274 AUBCXMDXIUYMHT-HXUWFJFHSA-N 359.491 4.004 0 40 FIAB COc1cc2c(cc1S(=O)(=O)NC(C)(C)CC(C)(C)C)CCCC2 225108952 RRJDBPHPHVNGTB-UHFFFAOYSA-N 353.528 4.067 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108160 RBJKHUOYWVKCRI-MRXNPFEDSA-N 374.437 4.018 0 40 FIAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)cc1C 223457373 YQOXIUPGKPHVMX-KRWDZBQOSA-N 350.462 4.230 0 40 FIAB CC(C)n1ccc2cc(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)ccc21 96343587 ONWYPDKTCIPTDT-WOJBJXKFSA-N 353.510 4.217 0 40 FIAB biogenic O=C(c1cc(Cl)c(Cl)[nH]1)N(Cc1ccccc1)C[C@@H]1CCCO1 97695484 XEDLAMVXFXTELF-ZDUSSCGKSA-N 353.249 4.143 0 40 FIAB c1ccc2c(c1)[C@@H](NCC1CC1)CC21CCN(Cc2nccs2)CC1 96079056 VXBUUUPAWBPGNO-IBGZPJMESA-N 353.535 4.121 0 40 FIAB CC(=O)N[C@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 257336520 YOVFSPYVFCLMNQ-YBLNHRRYSA-N 351.874 4.207 0 40 FIAB C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 1126139550 QWZCIBOPTBBEMR-IPYPFGDCSA-N 365.399 4.446 0 40 FIAB Cc1ccc(=Nc2cccc(C(=O)N[C@H]3CCC[C@H]3c3ccccc3)c2)[nH]n1 605514316 QAXZAUQHAOQRGK-SFTDATJTSA-N 372.472 4.017 0 40 FIAB COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccccc1 207058719 QAHDVEDTCZCSBY-BQYQJAHWSA-N 364.195 4.284 0 40 FIAB O=C(NCC1(c2ccsc2)CCOCC1)c1cccc(C(F)(F)F)c1 952989452 FUWPZFGDUDYZEA-UHFFFAOYSA-N 369.408 4.245 0 40 FIAB CCOc1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1OCC 936400 YGNYKGBUSZBGSJ-WYMLVPIESA-N 351.446 4.477 0 40 FIAB O=c1[nH]cc(-c2ccc(Cl)cc2)cc1CNc1ccc2c(c1)OCCO2 12143887 RXFDSEUXZRLTDF-UHFFFAOYSA-N 368.820 4.079 0 40 FIAB O=C(NC1CCN(C[C@@H](c2ccccc2)C2CCCCC2)CC1)C1CC1 12188795 NRAZFRMEXQVDHT-QFIPXVFZSA-N 354.538 4.341 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c(OC)c1 13708933 WTCFEITYHNXJND-AWEZNQCLSA-N 351.402 4.263 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCNCC4)c23)C1 13998643 BXONUORTYBNVIJ-CQSZACIVSA-N 370.566 4.129 0 40 FIAB Cc1cc(C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)c2cnn(C(C)C)c2n1 14251521 ITGMHPVGRXGJFQ-LBPRGKRZSA-N 368.403 4.124 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(Br)cc2F)cc1 15519593 QAKJQQBSJQSWDZ-UHFFFAOYSA-N 370.243 4.328 0 40 FIAB CCCc1nnc(S/C(=C/c2ccc(OCC(C)C)cc2)C(=O)O)[nH]1 7342366 ZVVFNAKBWFWDOA-XNTDXEJSSA-N 361.467 4.010 0 40 FIAB O=c1nc2n(nc1-c1ccccc1)[C@H](c1ccc(F)cc1)Nc1ccccc1-2 102347237 BOJYOAULYCZRCL-HXUWFJFHSA-N 370.387 4.084 0 40 FIAB Cc1cc(NC(=O)CN(Cc2ccccc2)C(C)C)n(-c2ccccc2)n1 10931123 SDBFXCSDPOJRTQ-UHFFFAOYSA-N 362.477 4.030 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1ccsc1 38673459 FOSNUGXNYRPXJA-AWEZNQCLSA-N 357.401 4.191 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1 4070163 DMYNQOHJRDRYDQ-UHFFFAOYSA-N 366.186 4.017 0 40 FIAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)N1CCCCCC1 4355581 PVMHHELLIKDLPS-UHFFFAOYSA-N 361.898 4.292 0 40 FIAB Cc1ccc(-c2cn3c(CC(=O)NCc4cccs4)csc3n2)cc1 5147119 PMDZZYJSJXSYFR-UHFFFAOYSA-N 367.499 4.292 0 40 FIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(OC(C)C)cc3)o2)c1 7510385 ILMHCINJRQQRAE-UHFFFAOYSA-N 351.406 4.393 0 40 FIAB Cn1nc(-c2cccs2)cc1C(=O)N1CCS[C@@H](c2ccco2)CC1 219406877 STHVNDRXFRRDRW-QGZVFWFLSA-N 373.503 4.062 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCC[C@H](CCO)c1cccs1 575608862 ZWTQXFFGVQMAJT-GFCCVEGCSA-N 368.886 4.088 0 40 FIAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(C(C)C)cc1 1481088 ZGXUXRIQDIAZSY-SFHVURJKSA-N 372.490 4.023 0 40 FIAB CC(=O)c1cccc(NC(=O)Cc2csc(Nc3ccc(F)cc3)n2)c1 23136621 PTCYDJXKZVDLGS-UHFFFAOYSA-N 369.421 4.410 0 40 FIAB CCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O 70915610 XORVRVWFTLILGE-UHFFFAOYSA-N 353.418 4.121 0 40 FIAB O=C(NCc1ccccc1)NC1(c2ccc(Br)cc2)CCC1 40152987 RSWPTUCXBHRRNG-UHFFFAOYSA-N 359.267 4.328 0 40 FIAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ccc(C(C)C)cc2)c1 21283892 YRLXGWAWSKXWSH-UHFFFAOYSA-N 368.433 4.084 0 40 FIAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1cccs1 32797662 VACBWJWJTQFCOF-CYBMUJFWSA-N 361.410 4.293 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 783957 LTQUIAQOMSLVLJ-UHFFFAOYSA-N 362.882 4.201 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1cccc(NC(=O)/C=C/c2ccccc2)n1 842478 YJUYHBWOTIFPFI-YXLFCKQPSA-N 369.424 4.385 0 40 FIAB CC(C)CC1=NN(c2nc(-c3ccccn3)cs2)[C@@](O)(C(F)(F)F)C1 1415177 JTETULSTUJUTRH-HNNXBMFYSA-N 370.400 4.068 0 40 FIAB CN(C)c1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 2415037 BPJGXGYWMHNEEA-UHFFFAOYSA-N 355.854 4.239 0 40 FIAB CCc1cc(=O)oc2cc(OC(=O)c3ccc(OC)cc3)c(Cl)cc12 2433172 FHTPAGXHXAETAU-UHFFFAOYSA-N 358.777 4.237 0 40 FIAB biogenic O=C(CCCOc1ccc(Br)cc1)Nc1cccc(F)c1 2619794 CAISPMLIPMQWIZ-UHFFFAOYSA-N 352.203 4.386 0 40 FIAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(F)c2)cc1 2723225 BWFMJPPIJIALMS-UHFFFAOYSA-N 371.437 4.141 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CNc1cccc(Br)c1 3413093 RZJGMXPDLGBKPU-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB O=c1cc(CN2CCc3ccccc32)occ1OCc1ccc(Cl)cc1 4304665 IBZREIBSTDBMHQ-UHFFFAOYSA-N 367.832 4.435 0 40 FIAB O=C(CSc1ccc(F)cc1)Nc1nc2c(F)cc(F)cc2s1 4496793 FTIQJQOZTCWFFN-UHFFFAOYSA-N 354.378 4.444 0 40 FIAB CCN(CC)CCN(C(=O)c1cccc(F)c1)c1nc2ccccc2s1 4585304 GEPRZUHRZQUZOM-UHFFFAOYSA-N 371.481 4.424 0 40 FIAB CCC(=O)Nc1c(C(=O)Nc2cc(OC)ccc2OC)oc2ccccc12 5107048 CKZWYVVMINZGCG-UHFFFAOYSA-N 368.389 4.051 0 40 FIAB CCSCCc1nnc2c3ccccc3c(-c3ccc(OC)cc3)nn12 5204065 LOENWINIERQQOU-UHFFFAOYSA-N 364.474 4.249 0 40 FIAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1c(C)nc2ccccc21 5235064 LMVGCQZMTVKSLQ-UHFFFAOYSA-N 372.490 4.278 0 40 FIAB O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1Oc1ccccc1 5291567 FLGFFGIURHMXGK-UHFFFAOYSA-N 350.418 4.234 0 40 FIAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 5483112 MIGBRJZQCBJADM-UHFFFAOYSA-N 374.227 4.100 0 40 FIAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 5612010 JMVBXUFTYKGJAO-QGZVFWFLSA-N 359.425 4.389 0 40 FIAB CCOc1cccc(-c2nc(O)c3c(n2)Oc2c(cccc2OCC)C3)c1 6748455 UHSVUKVITJCTAA-UHFFFAOYSA-N 364.401 4.343 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2coc3ccc(CC)cc23)cc1 6809762 ULHDCEIGYYWVKY-UHFFFAOYSA-N 351.402 4.353 0 40 FIAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)[C@H]1CCCc2ccccc21 7359572 DCUSQYYGQZTRPW-QFIPXVFZSA-N 363.505 4.235 0 40 FIAB COc1ccc2oc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c(C)c2c1 7612496 CPKBSRPVYLJYTE-UHFFFAOYSA-N 364.401 4.129 0 40 FIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cc(F)ccc1F 7698892 LXJQRLXYMGWXIB-UHFFFAOYSA-N 367.351 4.213 0 40 FIAB CSc1ncccc1C(=O)Nc1ccnn1Cc1ccc(C(C)C)cc1 7777655 WSHPTOCOGZJKKF-UHFFFAOYSA-N 366.490 4.424 0 40 FIAB COC(=O)c1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 7946051 CQJUOQGPZHZHQM-UHFFFAOYSA-N 372.471 4.204 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1ccc(F)cc1Br 8061970 DVZZCWLFPGPRER-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3)cc21 8959809 QBSWKJBQJGCNQI-UHFFFAOYSA-N 366.461 4.347 0 40 FIAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2c(C)cc(C)cc2C)cc1 11691495 BWLXAMGNWCHGCY-UHFFFAOYSA-N 370.474 4.182 0 40 FIAB CCCc1cc(C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)[nH]n1 12143747 ADIYCCGEJRDOSV-UHFFFAOYSA-N 365.389 4.136 0 40 FIAB O=C(OCc1ncc(-c2ccccc2)o1)c1cncn1-c1ccc(F)cc1 12547375 NYNRCBOZAVYEHP-UHFFFAOYSA-N 363.348 4.023 0 40 FIAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3C(F)(F)F)c2C)nc1 12597886 QDPATGMFOKIEGO-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB COc1cccc(CNc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 12605894 FWQRNTOABPUVRY-UHFFFAOYSA-N 355.434 4.079 0 40 FIAB CC(C)c1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 12780871 AJAUHELNLHTQMY-UHFFFAOYSA-N 353.447 4.493 0 40 FIAB O=c1/c(=C\c2cccc(Oc3ccccc3)c2)sc2nc3ccccc3n12 12924122 DXKBMQVAHQMUTP-XSFVSMFZSA-N 370.433 4.249 0 40 FIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)Nc1ccccc1F 12981220 LQUUCEXZKJEJCI-GOSISDBHSA-N 361.848 4.438 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccccc1F 13013155 FAOOAUJCWQTQNN-UHFFFAOYSA-N 354.347 4.229 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ncc(Cl)cc2[nH]1 13683711 XOWVLHZGHXCQEJ-UHFFFAOYSA-N 356.838 4.376 0 40 FIAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Br)s1 13939124 VNKXOUJYGBVJBV-UHFFFAOYSA-N 354.335 4.004 0 40 FIAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1 14084176 JUAKKSCZTZBIFQ-UHFFFAOYSA-N 365.385 4.255 0 40 FIAB Cc1ccc(CNC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1F 14242081 BSZMFFOBZVWWTH-MQVJKMGUSA-N 365.539 4.363 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2ccccc2F)cc1 16311627 GVSYMZBYADJZKZ-UHFFFAOYSA-N 372.407 4.111 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(Br)c2)c1 17074700 PGORCVWHAVHSMV-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB O=c1c2snc(-c3ccc(Cl)cc3)c2ncn1CCc1ccccc1 19371500 IMBFVMJWCUJHLT-UHFFFAOYSA-N 367.861 4.416 0 40 FIAB Cc1nc(C)c(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)s1 19560557 WAHJFCXQRQCRHU-UHFFFAOYSA-N 361.467 4.128 0 40 FIAB COc1ccc2c(C)c(C(=O)N(C)Cc3ccc(OC)c(OC)c3)oc2c1 19565729 ZTXWINRDEUNLTI-UHFFFAOYSA-N 369.417 4.039 0 40 FIAB Cc1ccc(-c2ncc(CN(Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 19662996 ALCOECWLPMXJPX-QFIPXVFZSA-N 374.488 4.028 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccccc1Cl)SCC(O)=N2 20733496 FDJYTZLVGYFNSY-HNNXBMFYSA-N 371.853 4.048 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 22511817 VNZFITFTNPUQHT-PHRJPNOBSA-N 367.445 4.341 0 40 FIAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1C 22842707 ODJSWUCEWVCNJT-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)[C@@H]1C 23055035 QMUCHQGAHUOBNQ-OGHNNQOOSA-N 357.325 4.366 0 40 FIAB CCc1cc2c(Sc3nc(Cc4cccs4)n[nH]3)ncnc2s1 24201486 ZCXAOFYDDJVKNF-UHFFFAOYSA-N 359.505 4.175 0 40 FIAB Cc1ccn(C(=O)c2ccc3ncsc3c2)/c(=N/C2CCCCC2)c1 26129230 OPOLWRKGYORYRR-ZBJSNUHESA-N 351.475 4.328 0 40 FIAB CC(C)C(=O)Nc1cccc(CNC(=O)C2(c3cccc(F)c3)CCC2)c1 27266784 VNUNBFYFWRCVKJ-UHFFFAOYSA-N 368.452 4.158 0 40 FIAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCc2ccccc2C1 27980059 JUTQYEPQGOIBDB-UHFFFAOYSA-N 351.377 4.196 0 40 FIAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccc(F)cc2s1 28248338 WEOQHWDAQXBICC-UHFFFAOYSA-N 356.831 4.198 0 40 FIAB CCOc1ccc(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)cc1OCC 31258138 BRTGEWSBJJCOBR-NRFANRHFSA-N 369.461 4.374 0 40 FIAB O=C(CSc1cccs1)NCCc1ccc(Br)s1 32824746 FLYJSIGTSDTHEE-UHFFFAOYSA-N 362.339 4.023 0 40 FIAB CCOc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)no2)cc1 32912278 DXOJWNCSHKSFES-UHFFFAOYSA-N 365.385 4.088 0 40 FIAB Cc1ccc([C@H]2SC[C@H]3C(=O)N(c4cccc(C)c4C)C(=S)N32)cc1 36612375 CPBGECDEMFSZFP-PKOBYXMFSA-N 368.527 4.360 0 40 FIAB CCC[C@H](NC(=O)NCc1nc2ccccc2n1CC)c1ccccc1 40068823 JPZHHJGGXYGPRZ-KRWDZBQOSA-N 350.466 4.397 0 40 FIAB Cc1cccc(COC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)c1 40150426 JCGPLRDHMXGADK-UHFFFAOYSA-N 366.461 4.291 0 40 FIAB COc1ccc2oc(C)c(C(=O)N(C)Cc3cccc(OC)c3OC)c2c1 44851810 PKLLUDWRKQSDKU-UHFFFAOYSA-N 369.417 4.039 0 40 FIAB CCOc1ccc(CCC(=O)NCCCc2ccc(C)cc2)cc1OCC 44886175 SBBZJBWNJOCUJZ-UHFFFAOYSA-N 369.505 4.474 0 40 FIAB C[C@@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccc(OC(F)F)cc1 48312526 SQMBZMZWIKIBGB-CYBMUJFWSA-N 358.388 4.200 0 40 FIAB COc1ccc(NC(C)=O)cc1NCc1cc2ccccc2nc1Cl 58278325 YDDMRGIPAYPSTG-UHFFFAOYSA-N 355.825 4.467 0 40 FIAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(Cl)c1N(C)C 58305008 BVHYZUKLXFXGOW-XJKSGUPXSA-N 353.894 4.123 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)c1 61717817 ZOOPAMVVNNJWIK-UHFFFAOYSA-N 365.433 4.265 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 63914404 HSIQSXAOOBCBMX-UHFFFAOYSA-N 374.849 4.398 0 40 FIAB COC(=O)c1cc(NCc2c(C)cc(C)c(C(C)=O)c2C)c(F)cc1F 65514810 ONASSIHTUVZBNC-UHFFFAOYSA-N 361.388 4.491 0 40 FIAB Cc1ccc(CCCC(=O)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 71946931 QRMANPZGWCAXPB-UHFFFAOYSA-N 373.518 4.057 0 40 FIAB C[C@@H]1C[C@H]1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1 72343205 VYMNHOWTMIKDOZ-YHYVQYDKSA-N 354.538 4.197 0 40 FIAB OC1=Nc2c(c(O)nn2C2CCCCCC2)[C@H](c2ccncc2)SC1 80338125 UFNKDRWIKBKCRY-INIZCTEOSA-N 358.467 4.303 0 40 FIAB FC(F)(F)c1cccc(CN2CC(c3nc(-c4ccsc4)no3)C2)c1 90567304 KMONJMCQOXCBGV-UHFFFAOYSA-N 365.380 4.416 0 40 FIAB Cc1nc(C)c(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)s1 95477617 SDHJSEXSIKRRHF-UHFFFAOYSA-N 361.883 4.170 0 40 FIAB CC(C)c1ccc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2)cc1 96216935 GALIAHDVFOYOPC-JOCHJYFZSA-N 350.510 4.093 0 40 FIAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc3C2)cc1 100329043 SISAAQVJJIYWIY-AAIMPIBUSA-N 360.501 4.163 0 40 FIAB FC(F)(F)c1cc2nc(Cl)c3nccn3c2cc1Br 102236746 KOLUPXGEMPYVKB-UHFFFAOYSA-N 350.525 4.317 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)cc1OC 223007441 OVLGLAZITAOHHI-QGZVFWFLSA-N 363.841 4.462 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1C 223089947 JGQWNYDUTNUSME-MOPGFXCFSA-N 354.523 4.034 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223175097 XPRQLJGVMBQKRC-WOJBJXKFSA-N 371.477 4.437 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 225265400 ZFVUQDWPIUJMNJ-CYBMUJFWSA-N 364.898 4.411 0 40 FIAB COc1cccnc1NC(=S)N[C@H](c1ccccc1)c1ccc(C)cc1 225513050 JBZNTFGIZOCBOY-LJQANCHMSA-N 363.486 4.475 0 40 FIAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808813 OAMLSQOIRPFVJD-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB COc1cccc(N(C)C(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 225913140 KNXNOKIROAOQMV-UHFFFAOYSA-N 362.433 4.122 0 40 FIAB O=C(C1CC1)N1CCC[C@@H](c2nc(-c3ccc4sccc4c3)no2)C1 329583006 QMQHDBYXQVFXLZ-OAHLLOKOSA-N 353.447 4.067 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCCc1ccc(-c2ccoc2)s1 390830981 OTBVUAAVRSGQTC-UHFFFAOYSA-N 361.850 4.399 0 40 FIAB O=C(O)c1cccc(CSc2n[nH]c(C34CC5CC(CC(C5)C3)C4)n2)c1 408581504 IPIQADXCTBCVJP-UHFFFAOYSA-N 369.490 4.263 0 40 FIAB CC1(C)N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N(c2ccccc2)C1=O 1333384622 HOOTZMHCGFESQU-SFHVURJKSA-N 366.852 4.144 0 40 FIAB CCCCC[C@@H](O)/C=C/[C@@H]1[C@H]2C[C@@H](CO2)[C@H]1C/C=C/CCCC(=O)O 1529050369 LQANGKSBLPMBTJ-OYFJHOOBSA-N 350.499 4.336 0 40 FIAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@H]1CCOC12CCCCC2 1669872012 DYHXRCPKGHGGCT-MDASCCDHSA-N 360.473 4.240 0 40 FIAB Cc1ccc(NC(=O)c2ccc(CSc3nnc(N)s3)cc2)c(C)c1 624793 OLJLXDXNWUVIAP-UHFFFAOYSA-N 370.503 4.282 0 40 FIAB CCc1ccccc1NC(=O)c1cccc(I)c1 670285 MWYZPXYWASMFMN-UHFFFAOYSA-N 351.187 4.106 0 40 FIAB CC(=O)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 725874 HDNBINXAYZZYDS-SECBINFHSA-N 350.460 4.238 0 40 FIAB CC(=O)Oc1c(Cl)cc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 879744 GALMRRYTWYBSSV-UHFFFAOYSA-N 374.245 4.028 0 40 FIAB CC(C)COc1ccc(-c2nnn(Cc3c(F)cccc3Cl)n2)cc1 919948 PPCJWCQHNZVVER-UHFFFAOYSA-N 360.820 4.216 0 40 FIAB COc1cc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC 1027748 GPEUBQWVLAIIPZ-UHFFFAOYSA-N 365.311 4.289 0 40 FIAB COc1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 1962475 WSBCZZBEEBZFTQ-UHFFFAOYSA-N 361.397 4.158 0 40 FIAB CCc1ccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3nc(N)nc3N2)cc1 2472083 ZMZSDUXQWHFEHW-CVEARBPZSA-N 371.847 4.362 0 40 FIAB Sc1nnc([C@H]2C[C@@H]2c2ccccc2)n1-c1cnn(Cc2ccccc2)c1 2809239 GKABADWWWJNTCF-MOPGFXCFSA-N 373.485 4.072 0 40 FIAB COc1ccc(Br)cc1/C=C1\N=C(c2ccc(C)cc2)OC1=O 4588671 JYBRHYBMCWYQBT-GDNBJRDFSA-N 372.218 4.111 0 40 FIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 4700364 SUHLNUCJAAQWEM-MOPGFXCFSA-N 353.418 4.095 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCCC2)cc1 4784901 JFKWDUGHJKRWOU-UHFFFAOYSA-N 372.852 4.227 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4cccs4)nnc32)cc1Cl 5149297 GCFXMPFABAMAMO-UHFFFAOYSA-N 366.837 4.154 0 40 FIAB COc1cccc(CSc2nc3nc(C)c(Br)cc3[nH]2)c1 6200559 NHGGKDPYZJVHKT-UHFFFAOYSA-N 364.268 4.330 0 40 FIAB CC(C)Cn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccccc1 6327394 SBLRFNDDRBQSBP-UHFFFAOYSA-N 374.554 4.339 0 40 FIAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 6402821 SYGSVQGWFJQFNU-UHFFFAOYSA-N 358.466 4.314 0 40 FIAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(CCC3=CCCCC3)c2C)on1 6852116 VKZNKRUVRZXRSQ-UHFFFAOYSA-N 370.449 4.332 0 40 FIAB Cc1ccccc1OCC(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 8130841 NNPVDXSAZKMYKK-QFIPXVFZSA-N 369.461 4.049 0 40 FIAB COc1cccc(CNC[C@H](C)O)c1OCc1ccc(Cl)cc1Cl 8498054 XLFAWGNMQASOCK-LBPRGKRZSA-N 370.276 4.051 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)CSc1nc2ccccc2s1 9755880 LNRKWILTQDRIFE-UHFFFAOYSA-N 370.499 4.376 0 40 FIAB CCn1c(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)nc2ccccc21 12221306 CAFJMHCIAZYWNQ-JOCHJYFZSA-N 367.468 4.069 0 40 FIAB CCC(CC)C(=O)NCCCn1c(-c2cccnc2C)cc2cccnc21 12222086 DCWJLZKGTKEQPR-UHFFFAOYSA-N 364.493 4.349 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1N[C@@H](C)C(=O)Nc1cc(C)on1 12522333 VBJRZHQSLMUFKR-NSHDSACASA-N 371.359 4.230 0 40 FIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12561150 VVJQYDSAXOWMRO-AWEZNQCLSA-N 372.490 4.349 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)COc3ccc(Cl)cc3)o2)cs1 13002358 OUTQLCOLMYMGFA-UHFFFAOYSA-N 362.838 4.060 0 40 FIAB O=C(O)Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 13438643 XSIFVEMFKXHQRX-UHFFFAOYSA-N 361.397 4.145 0 40 FIAB CC(C)c1n[nH]c(SCC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)n1 14016941 WCMPIPNQMAIYRO-SECBINFHSA-N 373.309 4.204 0 40 FIAB Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1-c1nccs1 14234393 VKIKRPFWHQRCPK-CYBMUJFWSA-N 360.508 4.265 0 40 FIAB Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1 15883004 HDRKOVMPACEZDH-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(C(C)C)cc1 16682508 ALZIHRRTMXKESM-HXUWFJFHSA-N 364.445 4.138 0 40 FIAB CN(Cc1nc(O)c2cc(Cl)ccc2n1)[C@@H]1CCCc2ccccc21 16695273 XDQAXSBTBVBHCB-GOSISDBHSA-N 353.853 4.498 0 40 FIAB Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 17123234 GWUYEPUULXMOAZ-UHFFFAOYSA-N 374.469 4.436 0 40 FIAB CC(C)CN1CCC([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 19447155 NGHQCZMLWWXFHD-OAQYLSRUSA-N 369.484 4.060 0 40 FIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC 20456795 NOLGUZPAFGIATK-MRXNPFEDSA-N 371.477 4.253 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1Cc2ccccc2O1 21531225 LTRVLMGCADWMHK-HXUWFJFHSA-N 356.381 4.437 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)c2ccc(OC(F)F)cc2)cc1 24839040 HVFKATDNNAYTLZ-UHFFFAOYSA-N 357.360 4.094 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc(CN2CCCC2=O)c1 29471254 RBOYXGQSJXORPH-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB Cc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ncccc4o3)c2)cc1 30826687 TZNAIJMITNVANL-UHFFFAOYSA-N 359.385 4.465 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)s1 31595879 GFWRAAUBPVXIJU-UHFFFAOYSA-N 371.502 4.328 0 40 FIAB CN(Cc1nc2ccccc2n1CCc1ccccc1)C(=O)c1ccco1 31903388 TXCBDUIWSXQMIF-UHFFFAOYSA-N 359.429 4.144 0 40 FIAB CCOc1ccc2oc(C(=O)N[C@H](CN(C)C)c3ccccc3)c(C)c2c1 32781256 NVBJTASWRPVTJU-LJQANCHMSA-N 366.461 4.173 0 40 FIAB Cc1cc2nc(Oc3ccc(-c4noc(C)n4)cc3)c3ccccc3n2n1 32803861 NFKGPKNRXQACBN-UHFFFAOYSA-N 357.373 4.342 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1OC 32830843 MNYGSNRHIIVEFM-LLVKDONJSA-N 351.805 4.377 0 40 FIAB CC(C)(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 32904301 UEVMEJDUOYKWOG-UHFFFAOYSA-N 370.924 4.398 0 40 FIAB O=C(Cn1c2c(c3ccccc31)CCC2)Nc1ccc(Cn2cccn2)cc1 36708646 OESBTIDIIRGCPE-UHFFFAOYSA-N 370.456 4.014 0 40 FIAB CCOc1cccc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1 40139747 JZJPKZKKPJZPHR-UVTDQMKNSA-N 352.821 4.393 0 40 FIAB Cc1noc(-c2ccc(NC(=O)c3cc(-c4ccccc4)no3)c(C)c2)n1 40152492 MOLYBKCEDIJJGB-UHFFFAOYSA-N 360.373 4.261 0 40 FIAB Cn1c(SCCC(=O)Nc2ccccc2F)nc2cc(Cl)ccc21 44049434 PIJHNKPQLXCVOB-UHFFFAOYSA-N 363.845 4.487 0 40 FIAB O=C(c1ccccc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCC2 45932643 MGNRUMAEIHDYKE-UHFFFAOYSA-N 352.434 4.369 0 40 FIAB Cc1ccc(Oc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)nn1 56906606 FPCKXZCNJGZUPP-UHFFFAOYSA-N 362.414 4.439 0 40 FIAB C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccc2ccccc12 57286285 LXZKBVFFPHEXOC-INIZCTEOSA-N 362.477 4.441 0 40 FIAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)n[nH]2)cc1 57413640 KNCVAJNWHYAOBK-UHFFFAOYSA-N 373.815 4.198 0 40 FIAB COc1ccc(NC(=O)NCc2cccc(N(C)C)c2)c(C(F)(F)F)c1 58310024 VWOUUADUIAFGEO-UHFFFAOYSA-N 367.371 4.102 0 40 FIAB Cc1cccc(C)c1OCCNC(=O)c1[nH]c2ccc(F)cc2c1Cl 58406765 PFNNCZCSNBDMIV-UHFFFAOYSA-N 360.816 4.386 0 40 FIAB COCc1ccccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 58427146 VKESYSBGZCQWLH-LLVKDONJSA-N 374.491 4.015 0 40 FIAB O=C(N[C@H]1COc2ccccc21)N(Cc1cccnc1)c1ccc(F)cc1 58633577 LQLCYKFEJIMZEP-IBGZPJMESA-N 363.392 4.071 0 40 FIAB O=C(N1CCC(Cn2ccnc2)CC1)C1(c2ccc(Cl)cc2)CCCC1 62017536 VJWLOWBVROOSLQ-UHFFFAOYSA-N 371.912 4.287 0 40 FIAB NC(=O)c1cnc(N2CC=C(c3cccc4ccccc34)CC2)c(Cl)c1 63738719 PPPJKZHZZAPVGA-UHFFFAOYSA-N 363.848 4.281 0 40 FIAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc2c(c1)COC2 64389139 DZOUUIZPHBPYEX-UHFFFAOYSA-N 354.406 4.156 0 40 FIAB O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cccc(-n2cccc2)c1 64786258 IOQUEZRSGOEEAT-UHFFFAOYSA-N 363.436 4.015 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)N1CCC(Cc2cccc(F)c2)CC1 71808124 OIDNAZCJICHXCM-UHFFFAOYSA-N 360.458 4.041 0 40 FIAB Cc1cc(=O)oc(C)c1C(=O)Nc1cccc(OCc2cccc(F)c2)c1 72272716 ZHPRKWHRECMQHZ-UHFFFAOYSA-N 367.376 4.227 0 40 FIAB CCc1cccc(C)c1NC(=O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 72308349 FEIMROCCVQPFJW-OAQYLSRUSA-N 365.521 4.097 0 40 FIAB O=C1[C@H](Oc2ccc(F)cc2Cl)CCN1c1ccccc1OC(F)F 78814310 KTGMBBKFQPAIHM-OAHLLOKOSA-N 371.742 4.265 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCCC[C@H]1C(F)(F)F 84544690 GQUDDXBNUDRGSD-HZPDHXFCSA-N 351.372 4.239 0 40 FIAB CN(C)c1cccc(CNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 89326776 TWVQZIQIJGOQQI-UHFFFAOYSA-N 372.778 4.142 0 40 FIAB CSc1ccc([C@H](O)CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 96103316 ZLYODQVSDADXPV-OAHLLOKOSA-N 370.396 4.282 0 40 FIAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915983 YVCQLADPAZVQRJ-GKHPHEKHSA-N 374.521 4.155 0 40 FIAB CC(C)(C)c1nnc(NC(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)s1 147813267 SAFHQVNIRRKCIO-LSDHHAIUSA-N 374.510 4.125 0 40 FIAB CN(CCNC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 219004320 QIEWJDFPZKQIHV-UHFFFAOYSA-N 358.485 4.338 0 40 FIAB CC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)cc1C 219247505 MDLHPIKWHHPIOR-JOCHJYFZSA-N 366.505 4.017 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1F 219574566 BMOGTBIGJPCINB-QGZVFWFLSA-N 365.445 4.172 0 40 FIAB CC[C@H](NC(=O)COc1cccc(OC)c1)c1ccc2c(c1)CCCC2 223126504 CGSBUOYZXVGJJE-NRFANRHFSA-N 353.462 4.220 0 40 FIAB COc1ccc(/C=C(/C(=O)NCCOc2ccccc2)c2ccccc2)cc1 223426987 UJXZCOXRPKBBTK-PTGBLXJZSA-N 373.452 4.431 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C 224285789 NXMZTXBAFKNLKN-GOSISDBHSA-N 363.457 4.419 0 40 FIAB COCc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 224557562 ZCWOUSKWQPWTHC-UHFFFAOYSA-N 374.440 4.365 0 40 FIAB Cc1ccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225389686 XBNDZUDQEIRMFS-UHFFFAOYSA-N 367.518 4.041 0 40 FIAB COc1cccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)c1 225828722 CWJSNCKSSLPTAW-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB CCCCN1CC=C(c2nn3c(-c4cccc(C)c4)nnc3s2)CC1 226250770 PNPITXYCCAFNGG-UHFFFAOYSA-N 353.495 4.050 0 40 FIAB Cc1ccc(OCC(=O)NCCSCc2ccccc2Cl)cc1C 408706402 MQIYKJKVUBEKJW-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@]2(O)C(F)(F)F)o1 409101284 XRSFKXZHHGJOAY-PRXAMGSTSA-N 372.387 4.113 0 40 FIAB COc1ccc(-c2noc([C@@H](NC(=O)c3ccccc3C)C(C)C)n2)cc1 526052400 HOKUEYRHJCUPLC-SFHVURJKSA-N 365.433 4.181 0 40 FIAB COc1ccc(-c2ccc(NC(=O)[C@@H]3CCC(=O)C[C@H]3C)nc2)cc1Cl 548417971 HOQPYHTUYFFWOM-MLGOLLRUSA-N 372.852 4.354 0 40 FIAB CC[C@H](C(=O)NC[C@@H](c1cccs1)n1nc(C)cc1C)c1ccccc1 575610888 QVCMRJZXKPASMO-OALUTQOASA-N 367.518 4.461 0 40 FIAB CC(C)Oc1cc(CNC(=O)N2CC(C)(C)[C@H]2c2ccccc2)ccn1 677022349 JBBXDIRSRIXXNM-LJQANCHMSA-N 353.466 4.162 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)C[C@@H](C)c2c(C)noc2C)cc1 677148824 CUWZHRWLCKWZHK-IBZMOEQTSA-N 356.466 4.130 0 40 FIAB CC(C)(C)c1ccc2[nH]c(C(=O)N[C@H]3CCCc4nc(O)ccc43)cc2c1 1629214383 JMPOCMCVJVAIRG-SFHVURJKSA-N 363.461 4.373 0 40 FIAB Cc1ccc(N[C@H](NC(=O)c2ccc(C)cc2)C(=O)c2ccccc2)cc1 631796 AWPBULRHEKLEIY-JOCHJYFZSA-N 358.441 4.354 0 40 FIAB CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 815466 QWXUXJIYSMKXHR-UHFFFAOYSA-N 372.494 4.433 0 40 FIAB Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccccc3)o2)c1 876035 GPYLORPUSXOCPW-UHFFFAOYSA-N 354.431 4.240 0 40 FIAB Cc1ccc(S(=O)(=O)N2c3ccccc3S(=O)c3ccccc32)cc1 1001653 JQQWGZCDIBCTIC-UHFFFAOYSA-N 369.467 4.002 0 40 FIAB Cc1sc2ncnc(SCC(=O)Nc3c(F)cccc3F)c2c1C 1099220 LQRWHGKVUYKBBL-UHFFFAOYSA-N 365.430 4.317 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)Nc2c(C)cccc2C)c1 1343071 YLLLHMVQQMJMOT-SFHVURJKSA-N 351.450 4.247 0 40 FIAB Cc1nc(NC(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)sc1C 1355558 OXUMYZDTROJTST-UHFFFAOYSA-N 362.455 4.020 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 1433927 YNQFVTRWJMTYIG-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1c(Cl)ccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccc2ccccc2c1 1624436 YUGRSHNMRUJTHB-OAQYLSRUSA-N 365.816 4.214 0 40 FIAB c1ccc(CN2COc3cc4c(cc3C2)OCN(Cc2ccccc2)C4)cc1 1680965 TUYXDPUDFGHTTJ-UHFFFAOYSA-N 372.468 4.391 0 40 FIAB Clc1cccc(CSc2ncnc3c2ncn3[C@H]2CCCCO2)c1 1684042 YQXTWCTXAFQTLA-CQSZACIVSA-N 360.870 4.471 0 40 FIAB O=C(c1cccc(CN2CCCC2)c1)c1ccc(Br)c(F)c1 2515072 SNFPWPNHSFZPIS-UHFFFAOYSA-N 362.242 4.415 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nc(C)c(C)c(C)n1 2625862 KSJFTRYNPUBUFI-UHFFFAOYSA-N 365.886 4.103 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 2655416 JLQMPJANVKYZHR-LBPRGKRZSA-N 360.841 4.231 0 40 FIAB O=C(COc1ncnc2sccc12)Nc1c(Cl)cccc1Cl 2663983 VTYVNTRVCJMLST-UHFFFAOYSA-N 354.218 4.016 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)cc(C)c2)c1 2723133 HGPYHISGGXQURG-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3135885 LGPKWLSDAKQNDY-UHFFFAOYSA-N 368.786 4.321 0 40 FIAB CN(C[C@@H](O)COC(c1ccccc1)c1ccccc1)C1CCCCC1 3205130 BJUZJRDGGZMYBB-JOCHJYFZSA-N 353.506 4.418 0 40 FIAB COc1ccccc1C(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 3244090 UHKWDHAGZSVNAY-UHFFFAOYSA-N 356.393 4.072 0 40 FIAB O=C(O[C@H]1CCOC1=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3281066 MWBVXPJIXVJSTI-AWEZNQCLSA-N 373.817 4.089 0 40 FIAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cc3ccccc3o2)CC1 3552983 SKMBNBYXZUAEQH-UHFFFAOYSA-N 369.852 4.090 0 40 FIAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccccc1Br 3904923 NTTBMJIADQIFRG-MELADBBJSA-N 354.288 4.257 0 40 FIAB Cc1cccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C 4057826 IZTKXMAXDZYMPH-UHFFFAOYSA-N 352.522 4.168 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c1 4070028 QVKGWQUGHIFORP-UHFFFAOYSA-N 352.415 4.274 0 40 FIAB C[C@@H]1CCc2c(sc(Nc3nc4c(F)cccc4s3)c2C(N)=O)C1 4137679 ZTMGOFZWXPCDQQ-MRVPVSSYSA-N 361.467 4.464 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1 4348517 MEIHSXOURHJEII-UHFFFAOYSA-N 354.431 4.459 0 40 FIAB CC1=C(C(=S)Nc2ccccc2)[C@@H](c2ccccc2)NC(=S)N1C 6515596 HHYYJPVIILJZNB-QGZVFWFLSA-N 353.516 4.261 0 40 FIAB CCOc1ccc(C(=O)CN(C2=NCCCC2)c2ccc(OC)cc2)cc1 6870310 GJCWOICUVRFREO-UHFFFAOYSA-N 366.461 4.366 0 40 FIAB C[C@@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1cccc(Cl)c1 7779273 DKIRAQSTYOUIRA-GFCCVEGCSA-N 363.866 4.081 0 40 FIAB CC(C)n1ncc2cc(C(=O)N(Cc3ccccc3)c3ccccn3)cnc21 8710940 JAISWWBUAABMGN-UHFFFAOYSA-N 371.444 4.254 0 40 FIAB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(=O)O)cc2)c1 9157930 ILPQIZFOSMVPOW-FQEVSTJZSA-N 374.396 4.165 0 40 FIAB C[C@@H](Sc1nnc(NC(C)(C)C)s1)C(=O)Nc1ccc(F)cc1F 9446371 ABRFTINHECEUBA-MRVPVSSYSA-N 372.466 4.146 0 40 FIAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 11887920 FAMMJLSSKHNSJS-SFTDATJTSA-N 357.409 4.252 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 12062642 FWFYPYBBVDKTAU-UHFFFAOYSA-N 357.797 4.431 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)cc(C)c4c3O2)cc1 12297055 JSOUAGJASAQQBC-MRXNPFEDSA-N 350.370 4.125 0 40 FIAB biogenic Cc1ccc(-n2ncc(C(=O)Nc3cccc(C)n3)c2C(F)(F)F)cc1 12526585 OHXHRHKPWNJDFV-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB COc1ccc(Oc2cc(NC(=O)c3cc(C)no3)ccc2OC)cc1 12674603 HJWZSSUURGSUGH-UHFFFAOYSA-N 354.362 4.045 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)COc3ccc(C(C)C)c(C)c3)ccc21 12752422 WPKHKKBQOWMJIB-UHFFFAOYSA-N 366.461 4.045 0 40 FIAB Cc1cc(C)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c(C)c1 12856717 YFZZKJKDALMIBE-LBPRGKRZSA-N 355.409 4.458 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12857075 XUQWMIZWDJLGCD-UHFFFAOYSA-N 371.868 4.030 0 40 FIAB COc1ccc(C)cc1[C@H](C)NC(=O)c1c(C)nn(CC(C)C)c1Cl 12972060 PXKDIDTVCQFDSV-ZDUSSCGKSA-N 363.889 4.309 0 40 FIAB CC[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1)c1ccc(C)cc1 13002539 VGFSFYLZKDRJLY-FGZHOGPDSA-N 366.505 4.408 0 40 FIAB O=C(CSc1ccccc1C(=O)O)Nc1ccc(Cl)cc1Cl 13189231 SSHXLAKBXMZYPU-UHFFFAOYSA-N 356.230 4.422 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 13625259 TXIRANYWTFPXPA-HNNXBMFYSA-N 368.477 4.092 0 40 FIAB CC1(C)C[C@@]2(C[C@@H](c3ccc(F)cc3)c3ccc(O)cc3O2)N=C(S)N1 13658221 ANOXBSSEJWHJMV-JXFKEZNVSA-N 372.465 4.200 0 40 FIAB O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc2ncsc2c1 14020071 PYXYTRUHWPBDGV-UHFFFAOYSA-N 352.337 4.125 0 40 FIAB COc1ccccc1CN(Cc1cccs1)C(=O)c1c(C)noc1C 16015011 POHXGNFQOCPGNI-UHFFFAOYSA-N 356.447 4.204 0 40 FIAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)o1 19688463 SPIMCBHEVPYYHV-FQEVSTJZSA-N 361.445 4.255 0 40 FIAB CCN1CCc2cc(-c3cncn3[C@@H](C)Cc3c(C)nn(C)c3C)ccc21 19719386 WCIGEGYTFSAQBF-HNNXBMFYSA-N 363.509 4.087 0 40 FIAB Brc1ccc2c(c1)C=C(c1nnc(Cc3ccccc3)o1)CO2 20715467 YRKSHZHNMGPBGH-UHFFFAOYSA-N 369.218 4.356 0 40 FIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCO2 22245336 ABVINUHRQDFZBG-UHFFFAOYSA-N 367.430 4.200 0 40 FIAB Cc1cc(C)c([C@H](C)NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1C 22606045 JKRKIXHVIRFGRN-KRWDZBQOSA-N 374.484 4.364 0 40 FIAB COc1cc(Cl)c(C)cc1NS(=O)(=O)C1=Cc2ccccc2CC1 24067518 FKBJZHFXMCSZEI-UHFFFAOYSA-N 363.866 4.386 0 40 FIAB CC[C@@H](C)c1ccc(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1 24070344 IXFHJXIUTIRKDH-CYBMUJFWSA-N 360.479 4.268 0 40 FIAB O=C(c1cncn1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 24693329 OABWUEVUCUTSKF-INIZCTEOSA-N 372.428 4.033 0 40 FIAB Cc1nn(CCC(=O)Nc2cccc(Cl)c2C)c(C)c1Br 28238649 ZVLJQPUDLQRZDE-UHFFFAOYSA-N 370.678 4.253 0 40 FIAB COc1cccc(CO[C@H](C)C(=O)N2CCCSc3ccccc32)c1 31700577 IFUOCMFJBOCYIT-OAHLLOKOSA-N 357.475 4.129 0 40 FIAB CC(C)N(Cc1ccccc1)C(=O)Cc1csc(-c2ccccn2)n1 31865136 CNIGTSHBQPQSIM-UHFFFAOYSA-N 351.475 4.185 0 40 FIAB Cc1cccc(-c2nc(CSc3nnc(-c4ccoc4C)o3)no2)c1 32325492 OTQMRCRCZPKDRR-UHFFFAOYSA-N 354.391 4.289 0 40 FIAB O=C(CCCNC(=O)c1ccco1)N[C@@H](c1ccccc1)C1CCCCC1 32379626 JVEILELOTWBKHS-NRFANRHFSA-N 368.477 4.227 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2noc(-c3ccc(F)cc3)n2)cc1 32622737 YIIOYZCLKLFTHA-UHFFFAOYSA-N 369.396 4.191 0 40 FIAB O=C(CCSc1nc(C2CCCC2)n[nH]1)Nc1cccc(Cl)c1 32883966 HRZHHGBYTAGWPB-UHFFFAOYSA-N 350.875 4.237 0 40 FIAB CSc1ncc(C(=O)N[C@@H](C)c2cccs2)n1-c1ccc(F)cc1 32986460 FAZGYFMPBRJZHM-NSHDSACASA-N 361.467 4.286 0 40 FIAB Cc1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 33331626 KLSLWODVVQRVGN-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB COc1ccc(C(=O)Nc2ccc3nc(CC(C)C)[nH]c3c2)cc1OC 36360681 OFOFTXLPPFTFPA-UHFFFAOYSA-N 353.422 4.031 0 40 FIAB FC(F)(F)c1ccnc(SCc2cc(Cl)cc3c2OCOC3)n1 41895734 NWERUULOEVKPIZ-UHFFFAOYSA-N 362.760 4.308 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cc(C2CC2)[nH]n1 44858200 MBBUYVYONDBWFC-UHFFFAOYSA-N 361.449 4.078 0 40 FIAB Cc1cc(C)nc(Sc2ccc(NC(=O)NCc3ccoc3)cc2)n1 47826070 KWGVCOUEVOHZRF-UHFFFAOYSA-N 354.435 4.159 0 40 FIAB O=C(Nc1cccnc1-n1cccn1)N[C@H](c1cccs1)C1CCCC1 48339726 WEBVRILEHQOVPO-KRWDZBQOSA-N 367.478 4.382 0 40 FIAB Cc1cc(-c2csc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)on1 49544144 BEDXVQXIWWZZIX-UHFFFAOYSA-N 354.840 4.166 0 40 FIAB COc1cc(Br)cc(C)c1NC(=O)NCc1ccc(F)cc1 50040033 FDJHQGUPXOBYRL-UHFFFAOYSA-N 367.218 4.227 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CC(C)(C)CC(=O)O 55149501 CGPUGEHCBNEDEX-UHFFFAOYSA-N 368.433 4.077 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(Cc1cccc(Cl)c1)C3 57135341 JSIRIYBDUUSHKF-UHFFFAOYSA-N 367.832 4.287 0 40 FIAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CC[C@@H]1CCCO1 58175358 ZVGVJIJMNFDUPS-HKUYNNGSSA-N 353.466 4.015 0 40 FIAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1cccnc1 67258361 HLMHKMNWEJLLEY-UHFFFAOYSA-N 373.481 4.175 0 40 FIAB Cc1cccc([C@H]2CCCN2c2nc(N(C)C)cc(C(F)(F)F)n2)c1 71970484 GLCPQJBFEWWHRX-CQSZACIVSA-N 350.388 4.211 0 40 FIAB Cc1ccc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)s1 72334479 BULJCKXAABWMRR-UHFFFAOYSA-N 357.519 4.372 0 40 FIAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2cccs2)cc1F 84792360 CTXZEAOVWQTVIF-QGZVFWFLSA-N 374.437 4.087 0 40 FIAB CC(C)(C(=O)NCCOc1ccccc1-c1ccccc1)c1cccnc1 95456847 HJYSLRDORRGZKR-UHFFFAOYSA-N 360.457 4.221 0 40 FIAB COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c1 102578868 JBHVJUIGZUBKLG-HRAATJIYSA-N 372.428 4.352 0 40 FIAB COc1ccc(C2=N/C(=C\C=C3\N(C)c4ccccc4C3(C)C)C(=O)O2)cc1 105322734 SCYVWCDYVCVZRF-ONPRKJMBSA-N 374.440 4.194 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 109021909 ZGSCACJUHRLION-QGZVFWFLSA-N 371.824 4.085 0 40 FIAB Cc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 222829355 RUCCGSVHKKPENT-SFHVURJKSA-N 353.462 4.409 0 40 FIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222959025 YZBXFCJGPGQHDG-ZWKOTPCHSA-N 356.539 4.411 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)s1 223448182 DGTFUGSQDHYLOU-ROUUACIJSA-N 366.515 4.019 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1C(C)(C)C 223718683 HFDZXHQOVPIWOH-SFHVURJKSA-N 373.468 4.476 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3Cc4ccccc4C3)nc2)cc1 223944564 GKAJPDOGTHBAHR-UHFFFAOYSA-N 374.513 4.397 0 40 FIAB Oc1cccnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCC1 223987608 XTUUOUUSHVEYBD-UHFFFAOYSA-N 361.898 4.239 0 40 FIAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1 224360417 GITTZVOSXGWQCC-UHFFFAOYSA-N 351.402 4.187 0 40 FIAB CCOc1cccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)c1 225531626 LEMNIJHJMYOGFR-UHFFFAOYSA-N 374.506 4.368 0 40 FIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)cn1 225933678 GCXBOLXWCARRSW-UHFFFAOYSA-N 358.441 4.074 0 40 FIAB COCCC(=O)N[C@@H]1C[C@H](c2c(Cl)cccc2Cl)O[C@@H]2CCC[C@@H]12 257315929 VDIDFIUBXAVIPU-AEAUEXCSSA-N 372.292 4.145 0 40 FIAB Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2ccc(C)c3c2CCC3)o1 333497513 CCBIVPFWGKEZKB-OAQYLSRUSA-N 373.456 4.115 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3cccc(C(F)(F)F)c3)C2=O)c1 409238510 KTFPNDSZTWWAFU-MHWRWJLKSA-N 360.335 4.107 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]2N1c1ccc(F)cc1 1615153035 ACVDJKCSYZMXRN-PBHICJAKSA-N 358.482 4.407 0 40 FIAB CCOC(=O)n1c(=O)n(Cc2c(Cl)cccc2Cl)c2ccccc21 1397815 PPOCAUADNLDSIT-UHFFFAOYSA-N 365.216 4.163 0 40 FIAB C[C@@H]1CCc2c(sc3ncn(CCCOc4ccccc4)c(=O)c23)C1 1791512 HYSGNKPJNUSZAO-CQSZACIVSA-N 354.475 4.052 0 40 FIAB ClC(Cl)(Cl)c1nc(Cc2ccc(-c3csnn3)cc2)no1 2567014 BPTVUVVYCNWKSM-UHFFFAOYSA-N 361.641 4.006 0 40 FIAB COc1ccc(CCC(=O)Nc2nc3ccc(C)cc3s2)cc1OC 2623065 CVDVGEVWYLUDQS-UHFFFAOYSA-N 356.447 4.193 0 40 FIAB CCOc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 2642570 UNPRLMOFZSIKEB-UHFFFAOYSA-N 367.474 4.339 0 40 FIAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 3196503 XVSWDEHVKNPYTH-UHFFFAOYSA-N 365.429 4.451 0 40 FIAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(OC(F)(F)F)cc1 3241992 AESQATCFFAPAMC-UHFFFAOYSA-N 364.728 4.340 0 40 FIAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1 3338225 OZSFUQSKISBRDP-LLVKDONJSA-N 358.444 4.056 0 40 FIAB COc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1OC 3403020 YXWCDYZOKBOQCM-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB COc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 3435784 JMDWFCQWVGIEII-UHFFFAOYSA-N 370.232 4.200 0 40 FIAB CCCCCCn1c(S[C@H](C)C(N)=O)nnc1-c1ccc(Cl)cc1 3490925 DNKDRDIZTBIDQX-GFCCVEGCSA-N 366.918 4.145 0 40 FIAB CCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccc(C)cc1C2(C)C 4000118 MTHPSJXMLNEZBU-MDRMPYQZSA-N 362.473 4.031 0 40 FIAB biogenic Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc(C(C)(C)C)cc2)cc1 4285317 HDCNWFKVUQBJHZ-UHFFFAOYSA-N 374.502 4.200 0 40 FIAB Fc1ccc(-n2ncc3c(NCc4ccccc4Cl)ncnc32)cc1 4354500 PJOCUINQVWDVDS-UHFFFAOYSA-N 353.788 4.220 0 40 FIAB O=C1N2c3cc(Cl)ccc3Sc3cccc(c32)[C@@]1(O)C(F)(F)F 5065950 UHCQUNKLEKIMHB-AWEZNQCLSA-N 357.740 4.233 0 40 FIAB C[C@H]1CCc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c(C(N)=O)c2C1 5192754 FASQYVHYZDCWAU-OWFXSXJRSA-N 372.534 4.127 0 40 FIAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1F 5259293 LENCVILTFWQTSZ-UHFFFAOYSA-N 362.408 4.135 0 40 FIAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)C3=COCCO3)nc12 5299678 REPBRVHEHAWWDW-UHFFFAOYSA-N 366.442 4.026 0 40 FIAB COc1cc(/C=C/C(=O)Oc2ccc(C(C)=O)cc2)ccc1OC(F)F 5576024 NLDORPQRNZFMCE-ONNFQVAWSA-N 362.328 4.118 0 40 FIAB O=C(COc1ccccc1Cl)NCCOc1cccc2ccccc12 5876576 ROEGBLFYBSVSBA-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB Cc1ccc(C2=Nc3c(c(C)nn3-c3ccccc3)N=C(C(=O)O)C2)cc1 5940520 NXOMBDBHTBVAQK-UHFFFAOYSA-N 358.401 4.171 0 40 FIAB COc1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)ccc1OC(F)F 6265914 DABFLPHUZMQNGF-UHFFFAOYSA-N 365.361 4.001 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 6363756 RKEJFNDNASGBBX-UHFFFAOYSA-N 356.809 4.125 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2C)c(C)c1 6402764 YDVJCWLJOVBQNP-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 6542113 DUQVRUJANXFGIJ-UHFFFAOYSA-N 364.367 4.440 0 40 FIAB CC(C)CCNc1nc(C(=O)OCc2nnc(-c3ccccc3)o2)cs1 7353104 UTFJTBZEFHXFLO-UHFFFAOYSA-N 372.450 4.008 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C)ccc2C)CC1=O 7928180 NLJQXPZLKUWONF-IBGZPJMESA-N 364.489 4.420 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCCc2ccccc21 7954467 SJYODWFLLIDEDS-OAQYLSRUSA-N 353.510 4.282 0 40 FIAB S=C(NCCCOC1CCCCC1)Nc1cccc(Br)c1 8108480 FUVFGLMZVYMUPY-UHFFFAOYSA-N 371.344 4.475 0 40 FIAB C[C@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)N1CCc2ccccc21 8133977 HIGYNHOOMUIOPA-SFHVURJKSA-N 363.505 4.457 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(F)c(F)c3)n2)cc1 9252901 OBFBTTXCHBOBRB-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB Brc1ccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)cc1 9421619 NUFCXEAZPLBHKO-UHFFFAOYSA-N 369.222 4.161 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1 10333077 XDKUERCDAXDVCQ-INIZCTEOSA-N 352.478 4.349 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 10544154 DJUHDPHKQZPMQH-QGZVFWFLSA-N 359.491 4.193 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(OC(F)(F)F)cc1 10677631 JJTCWJBLBGLZOL-INIZCTEOSA-N 371.380 4.015 0 40 FIAB O=C(NCCCCOc1ccccc1)c1ccc(F)cc1Br 11079841 SBNGKIZURLQXCT-UHFFFAOYSA-N 366.230 4.177 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1c1nc2ccccc2[nH]1 12116162 SRUBYNALCADRCR-FQEVSTJZSA-N 358.445 4.341 0 40 FIAB C=Cn1cc(CN(C(=O)C2CC2)c2cccc(-c3ccnc(C)n3)c2)c(C)n1 12186891 KVAOVZMWQJEMCT-UHFFFAOYSA-N 373.460 4.001 0 40 FIAB O=C(COc1ccc2ccccc2c1)N[C@H](Cc1ncc[nH]1)c1ccccc1 12540261 XODZPDXASPRAOV-OAQYLSRUSA-N 371.440 4.042 0 40 FIAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccs1)C3 12653232 OKFGZAVEQRTDKD-LBPRGKRZSA-N 372.519 4.237 0 40 FIAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1F 12740258 IQUMHMMWFYUSCT-WPRPVWTQSA-N 368.168 4.439 0 40 FIAB CC(C)[C@H](NC(=O)NCc1ccccc1F)c1ccc2c(c1)OCCCO2 12800091 WNLJFWCYUCBIGE-FQEVSTJZSA-N 372.440 4.184 0 40 FIAB O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 12924585 VNZFTLBYOOUCFY-INIZCTEOSA-N 369.770 4.021 0 40 FIAB Cc1ccc(SCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c(C)c1 14120154 LMHAOAXUMSPNJB-UHFFFAOYSA-N 353.443 4.449 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)c2c1CCC2 14138733 HQIMBCUNSCQVOT-UHFFFAOYSA-N 357.335 4.031 0 40 FIAB Cc1c(C(=O)NC2CCCCCC2)nnn1-c1cccc(C(F)(F)F)c1 14165721 WILNDUCLXXVARH-UHFFFAOYSA-N 366.387 4.047 0 40 FIAB Cc1cc(Br)ccc1NC(=O)COc1cccc2cccnc12 14737489 SOKSTKKRNGBPLN-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1F 18086350 KZPLHDWZPPOTKG-UHFFFAOYSA-N 370.346 4.100 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 18703492 DKZSKFACVNSZNU-UHFFFAOYSA-N 353.447 4.346 0 40 FIAB CCCC(=O)N1CCC[C@H](c2noc3nc(CC)cc(C(F)(F)F)c23)C1 19501279 PCJDYXQHNQAJNX-NSHDSACASA-N 369.387 4.310 0 40 FIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H](C)c2ccccn2)s1 19717698 ZTZFUGLLLRDCOL-LBPRGKRZSA-N 355.438 4.073 0 40 FIAB C[C@H](O)c1ccc(-c2ccc(CN[C@@H](C)[C@@H](O)c3ccccc3)o2)cc1 22108677 VYSXKPWWGYKNEV-PONJGIIJSA-N 351.446 4.212 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)Nc1nc2c(s1)CCCCC2 22968440 XWJQCUVSOQZJAV-UHFFFAOYSA-N 359.476 4.310 0 40 FIAB CNC(=O)Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1 23057148 PANQHEQSUQRCQH-IBGZPJMESA-N 358.869 4.007 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2nc3ccccc3o2)C1 24695119 HHEUJPHWXSGHEP-MRXNPFEDSA-N 357.413 4.396 0 40 FIAB CC[C@@H](CNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1ccccc1 29475879 PBBMMKYRZCGBMX-AVRDEDQJSA-N 362.473 4.261 0 40 FIAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1 33656085 JQXSVZQTWJEQQQ-UHFFFAOYSA-N 373.909 4.457 0 40 FIAB O=C(/C=C/c1cccs1)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 35586389 GBLTUOFIAUYDPD-BQYQJAHWSA-N 365.336 4.469 0 40 FIAB C[C@H]1CC[C@H]2[C@@H]3CC[C@H]([C@H](C)C(=O)O)[C@]3(C)CC(=O)[C@]23CCC[C@H](C1)O3 36372177 XDDNRKFJOAQYQX-JAXYYGHXSA-N 362.510 4.457 0 40 FIAB Cc1cccc(NC(=S)NCc2ccc(NC(=O)NC(C)C)cc2)c1 36848113 VBSWHYUIRQYWOZ-UHFFFAOYSA-N 356.495 4.012 0 40 FIAB CN(C)C(=O)Cc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 38489849 OFXWQDMSTSOPGS-UHFFFAOYSA-N 366.248 4.268 0 40 FIAB Cc1nnc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)s1 40160251 KHABGLQGBKCWOW-UHFFFAOYSA-N 356.476 4.262 0 40 FIAB Cc1cccc(-c2noc(CNc3cccc(-c4ccnc(C)n4)c3)n2)c1 42120893 IAOUETQEXXZXHC-UHFFFAOYSA-N 357.417 4.423 0 40 FIAB COc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1OC(F)F 43995232 ZYAVYIGAKPATJL-SECBINFHSA-N 372.318 4.458 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)no2)cc1OC 46086490 XNSQWJRFJAWOHF-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n1 54661647 VUCKHKUQECVPAU-KRWDZBQOSA-N 363.417 4.190 0 40 FIAB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2OC)o1 57353764 QEBWPWCFMPGXFM-RMKNXTFCSA-N 351.196 4.294 0 40 FIAB C[C@@H](O)c1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1 58431397 UXGGGYPSIMWKIT-CQSZACIVSA-N 370.449 4.017 0 40 FIAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 72354176 OVQNXPWTALHGCU-OAQYLSRUSA-N 360.505 4.392 0 40 FIAB CC(=O)NCc1cnc([C@H]2CCCN2C2CCCCC2)cc1C(F)(F)F 72355974 RBPWCKHZWDOESV-GOSISDBHSA-N 369.431 4.206 0 40 FIAB CCc1n[nH]c(-c2ccccc2NC(=O)c2cc3cc(F)ccc3o2)n1 89289864 BCGABSHAMOTLPU-UHFFFAOYSA-N 350.353 4.172 0 40 FIAB CCOc1ccc(Oc2ccccc2NC(=O)C[C@@](C)(O)C2CC2)cc1 89991177 MQCXKNSLBVPTKN-OAQYLSRUSA-N 355.434 4.367 0 40 FIAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 93022356 WHBUZZRPNATDNE-UHFFFAOYSA-N 356.857 4.058 0 40 FIAB Cc1ccc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)cc1C 95116435 ATCCWRVSBVHMPB-UHFFFAOYSA-N 368.462 4.420 0 40 FIAB CC(C)Oc1ccc(-c2nc(C(=O)NC[C@@H]3CCO[C@@H](C)C3)cs2)cc1 95457829 CGPWLFVAUIFPMA-LSDHHAIUSA-N 374.506 4.142 0 40 FIAB Cc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)CCN2CCCCC2)cc1 95946154 XSMZNENDRWVSND-HXUWFJFHSA-N 365.477 4.142 0 40 FIAB CCc1ccccc1N1C(=O)C[C@@H](Nc2cccc(Cl)c2Cl)C1=O 101275727 SZBZZXNRGCQZBT-CQSZACIVSA-N 363.244 4.300 0 40 FIAB C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2O 105156018 SORISAYAZBCIQH-BNUJBRHBSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro Cc1ccc(C)c(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 218951858 LAFADVQVQKUMHV-SFHVURJKSA-N 353.462 4.409 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225211890 ZAOJZAFVOUPDKC-UZLBHIALSA-N 371.477 4.355 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c(C)c2)cc1 225255378 QUPMIMRWDUCWOJ-UHFFFAOYSA-N 355.434 4.142 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=S)Nc3ccc(F)cc3)n2)c1 225460830 HYXQDNCQASZUJZ-UHFFFAOYSA-N 356.426 4.013 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SC(C)C)s1 225693245 RJGDPHDTBOJFQY-AWEZNQCLSA-N 365.524 4.452 0 40 FIAB CCc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225818816 XCBUTQOSKBBNEV-UHFFFAOYSA-N 372.881 4.439 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccccc3F)c2)cs1 226097545 MUBUAPAINGKIOM-UHFFFAOYSA-N 357.410 4.252 0 40 FIAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 245562006 VHFXWPVSOHUREJ-KBXCAEBGSA-N 373.472 4.018 0 40 FIAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)O[C@@H]2CCC[C@@H]12 257243225 IFYMBANRUBLYGF-WBQNTZJQSA-N 372.292 4.145 0 40 FIAB Cc1cccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c1C 585290536 XUCMAYNYMFAPQX-PWRODBHTSA-N 359.897 4.407 0 40 FIAB c1cnc2nc(C3CCN(Cc4csc(C5CC5)n4)CC3)ccc2c1 653806467 QLBRBMKPXGZUPI-UHFFFAOYSA-N 350.491 4.343 0 40 FIAB CCCOc1ccccc1CN1CCCc2cccc(n2)CCCOCC1 2037977993 FUMAJHCKWNOVSW-UHFFFAOYSA-N 368.521 4.268 0 40 FIAB Cc1ccc(C)c(-c2nc(NC(=S)NC(=O)c3ccco3)sc2C)c1 654461 WGMDDBGDYKPHSV-UHFFFAOYSA-N 371.487 4.455 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 1363487 LOQRBMDMBVNLAA-QGZVFWFLSA-N 365.408 4.204 0 40 FIAB CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3SC)nc2c1 2799792 RFSCRHDUJYDANS-UHFFFAOYSA-N 373.503 4.414 0 40 FIAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 3235013 FETGFMVKCCUPLI-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB O=C(COC(=O)/C=C/c1ccco1)Nc1cc(C(F)(F)F)ccc1Cl 3242788 FUVSXFFIVKBRCB-GQCTYLIASA-N 373.714 4.147 0 40 FIAB CCOc1ccccc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3316816 DIFZQEPKCXRXGN-UHFFFAOYSA-N 361.482 4.420 0 40 FIAB COc1ccc2nc(Nc3nnc(-c4ccccc4OC)o3)sc2c1 4137753 GSHLQNUTQGMETD-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB CCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(C)cccc12 4895529 PUSODPOQDRVTFB-UHFFFAOYSA-N 369.465 4.363 0 40 FIAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1cccc(F)c1 4966495 YAEZJIRRVLCQAE-UHFFFAOYSA-N 369.465 4.254 0 40 FIAB O=C(c1ccc(F)cc1)N(CCN1CCCC1)c1nc2ccccc2s1 4968548 MVJSLDNQXMCRHY-UHFFFAOYSA-N 369.465 4.178 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)CC1 5394782 SGUGVFAVZDITFT-UHFFFAOYSA-N 368.786 4.321 0 40 FIAB COc1cccc(-c2nc(COC(=O)c3cccs3)cs2)c1OC 7534288 HPKDAMMQVKJTSO-UHFFFAOYSA-N 361.444 4.246 0 40 FIAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1 8086563 ZWPLXEBGYZGYMY-LBPRGKRZSA-N 355.235 4.488 0 40 FIAB COCc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 8280299 PKZNXBOAXXYVQN-UHFFFAOYSA-N 363.442 4.462 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)OCO3)cc1 8427969 CIQGNMDHTKSFQB-SFHVURJKSA-N 353.418 4.181 0 40 FIAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)C)cc21 8959926 QEAYQGGKYWBABT-UHFFFAOYSA-N 360.498 4.469 0 40 FIAB C[C@H](NCC(=O)Nc1ccc(N2CCCCCC2)cc1)c1cccs1 9471071 LODLPABVAUAFDC-INIZCTEOSA-N 357.523 4.418 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)CCOc1ccccc1OC 9596742 PUBJPVYBQASYCY-UHFFFAOYSA-N 357.450 4.409 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)/C=C/c2ccco2)n1 11057530 GRRCPYRTVWRQDC-FNORWQNLSA-N 371.393 4.153 0 40 FIAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1(C)C 11146945 JWSITSMPWJZWIJ-HKUYNNGSSA-N 366.461 4.387 0 40 FIAB COc1cccc(NC(=O)NCc2ccc(CN3CCCCC3)cc2)c1 11557627 XKDZCEKGAWULES-UHFFFAOYSA-N 353.466 4.003 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 11750416 KQBKLDIPEPYHNW-UHFFFAOYSA-N 366.461 4.495 0 40 FIAB O=C(Cc1cccs1)Nc1ccc(SCc2ccc(F)cc2)nn1 11792267 HIZUMDANJPWIRZ-UHFFFAOYSA-N 359.451 4.151 0 40 FIAB Clc1ccccc1COc1nc2c3c4c(sc3ncn2n1)CCC4 12390632 SSFQADDHIRLGLA-UHFFFAOYSA-N 356.838 4.060 0 40 FIAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccco3)C[C@H]21 12661279 PGCHGQULJAVVAW-IERDGZPVSA-N 368.433 4.117 0 40 FIAB biogenic OCCOc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 12943499 ITTHDGHSDFMYOE-UHFFFAOYSA-N 369.424 4.244 0 40 FIAB O=C(N[C@H](C(=O)NC1CCCCCC1)c1ccccc1)c1cccs1 12947250 OCAARXOTNQHGQC-SFHVURJKSA-N 356.491 4.058 0 40 FIAB COc1ccccc1-n1c(S)nnc1COc1cccc2ccccc12 13535161 LDLNAHODOIHKJH-UHFFFAOYSA-N 363.442 4.297 0 40 FIAB O=C(COc1ccc2oc3ccccc3c2c1)NCCc1cccs1 14049997 WOIPDLPZJPRQGH-UHFFFAOYSA-N 351.427 4.385 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 14122489 CUBZYLBKVXNOLW-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB Cc1c(-c2ccccc2)sc2ncnc(NCc3nnc4ccccn34)c12 14196467 JWPGPLGFKUOUBA-UHFFFAOYSA-N 372.457 4.322 0 40 FIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 15577570 YKSOERRNRLCHCI-UHFFFAOYSA-N 353.397 4.318 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 17073523 IFDJETKIGVZWLL-UHFFFAOYSA-N 355.507 4.276 0 40 FIAB O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1ccc(Cl)cc1 17206366 JPGZNOOEMXYBSH-UHFFFAOYSA-N 363.801 4.162 0 40 FIAB Cc1sc2c(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)nc(C)n2c1C 19561783 CFKGMBWSYVLXDW-QGZVFWFLSA-N 357.523 4.383 0 40 FIAB COc1cccc(-c2ccc([C@@H]3CN(CCc4ccccc4)CCO3)nc2)c1 19692566 WIQIXRVRNJIEEO-DEOSSOPVSA-N 374.484 4.373 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)c1ccc(C)cc1 20044814 KFYQDKIJZGKCIN-INIZCTEOSA-N 353.871 4.087 0 40 FIAB CCc1nn2c(C)c(C(=O)Nc3cccc(C)c3)nnc2c1-c1ccccc1 20633811 ZBCOVEYKVJSOOS-UHFFFAOYSA-N 371.444 4.223 0 40 FIAB Cc1csc(CNC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)n1 21481738 CKMGMBHPWBWVBW-UHFFFAOYSA-N 362.458 4.029 0 40 FIAB COc1ccc2nc(C)c(C(=O)NCc3ccccc3OC(F)F)cc2c1 22604438 RAYDVKDHCOYKNM-UHFFFAOYSA-N 372.371 4.083 0 40 FIAB Cc1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 27017844 IKDDKDWALWQJDB-IBGZPJMESA-N 350.443 4.107 0 40 FIAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc(Cl)cc(Cl)c1 27544678 UBNAPOKSYHXNLV-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB CCn1nc(C)c(C(=O)Nc2ccc(Br)cc2Cl)c1C 27982975 GXQVTKLBTLLEBQ-UHFFFAOYSA-N 356.651 4.188 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccnn1Cc1cccs1 28403512 YINJFOTWZDQJTG-GFCCVEGCSA-N 361.854 4.052 0 40 FIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1cccc(C)c1 31903375 KTVCVPHPCDBUBC-OAQYLSRUSA-N 363.461 4.107 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Nc2ccccn2)c2ccccc12 31903997 MWYXRGDHMDBMBG-UHFFFAOYSA-N 356.447 4.215 0 40 FIAB Clc1cccc(-c2cnc(CN3CCN(Cc4cccs4)CC3)o2)c1 32775319 TZWPQAALWHULCP-UHFFFAOYSA-N 373.909 4.374 0 40 FIAB Cc1ccc(-c2nc(CC(=O)NCCSc3ccccc3)cs2)o1 32816332 QQEKSMCOJXQDDV-UHFFFAOYSA-N 358.488 4.163 0 40 FIAB NC(=O)Nc1ccc(NC(=O)c2ccc(OCc3cccs3)cc2)cc1 32818045 WVFSFDVWBHOGKF-UHFFFAOYSA-N 367.430 4.070 0 40 FIAB C[C@H](CNC(=O)c1ccc(N(C)C)cc1)c1nc2ccccc2n1C(F)F 32855856 KVFVXQVZQJURGQ-CYBMUJFWSA-N 372.419 4.031 0 40 FIAB COCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc(C)c1C 32893912 QEIPTDQLBHEWJV-UHFFFAOYSA-N 361.511 4.001 0 40 FIAB Cc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 33748384 HWKBCKYFAQDEHD-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 38673455 BCXMEMQHLJBLHL-AWEZNQCLSA-N 357.401 4.191 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ncccc2Cl)C1 40134936 JUIFLOPPHFPWMS-QGZVFWFLSA-N 357.885 4.000 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccc(Br)cc2)C1 40284718 BEYJWDCCLZHVST-AWEZNQCLSA-N 369.222 4.153 0 40 FIAB CC[C@H](c1nnc(SC/C=C/Cl)n1-c1ccc(OC)cc1)N(C)C 44172203 QOBMVEVGYBHSFS-KDHUCADRSA-N 366.918 4.133 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44857209 KYGJJTUZMMUHFE-SFHVURJKSA-N 368.546 4.221 0 40 FIAB COc1ccc2[nH]cc(C3=CCN(Cc4nc(CC(C)C)no4)CC3)c2c1 47257141 CZJJTEJWSRXHLV-UHFFFAOYSA-N 366.465 4.047 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Oc2ncccn2)cc1 48202601 BJROUXXOTGKTSA-UHFFFAOYSA-N 371.396 4.440 0 40 FIAB Brc1ccc(-c2nc(CSc3nncs3)co2)cc1 49099491 YLCDQRPUIZOCDK-UHFFFAOYSA-N 354.254 4.248 0 40 FIAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)c1ccc[nH]c1=S 57112703 CPWXABVEZBOKGH-INIZCTEOSA-N 358.463 4.082 0 40 FIAB CSc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57413510 JTELRKFKZKNHOR-UHFFFAOYSA-N 357.866 4.382 0 40 FIAB CC(=O)N(C)c1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 58226189 OFQPBIFRFILCMY-UHFFFAOYSA-N 355.196 4.368 0 40 FIAB C[C@@H]1CCN(C(=O)CSC[C@@H](O)c2ccccc2)c2ccccc2S1 65554381 MDVSDTKMODMEHG-CRAIPNDOSA-N 373.543 4.371 0 40 FIAB Cc1cc(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)c(C)s1 72309544 BGEYWCPHWXFTKG-UHFFFAOYSA-N 357.397 4.165 0 40 FIAB c1ccc(-c2cnc(-c3ccncc3)c(CNCc3cccnc3)c2)cc1 72343212 RBNJJHXMPDLPRO-UHFFFAOYSA-N 352.441 4.495 0 40 FIAB Cc1nccn1-c1cccc([C@@H]2CCCN(CCCc3ccccc3)C2)n1 72379109 ZLGYHQJKBXREGA-OAQYLSRUSA-N 360.505 4.388 0 40 FIAB CC(C)c1nc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cs1 95941325 CJIYCOOQMRYILD-OLZOCXBDSA-N 365.930 4.275 0 40 FIAB CO[C@@H]1CCCN(c2ccc(NC(=O)CCc3ccccc3C)cc2)C1 96122459 ZALSFGOBRZJCCX-OAQYLSRUSA-N 352.478 4.182 0 40 FIAB CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(O)CC(C)(C)CC1=N2 102666093 GVIKQXCSLLYLMJ-INIZCTEOSA-N 370.478 4.403 0 40 FIAB COc1ccccc1C[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O 103442255 NPXHGRUUFQWZFW-LBPRGKRZSA-N 364.228 4.124 0 40 FIAB N#C/C(=N\Nc1ccccc1Br)c1nc2ccccc2s1 108242561 RLTMJMPCGMUFDU-DEDYPNTBSA-N 357.236 4.399 0 40 FIAB CCOC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1Cl 216412924 JMQKCIKUHTVTNJ-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCSCc2ccccc2Cl)c1 218948085 QJDVLXLIGXFBNX-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc2ccccc12 223538512 CTNNUFFMLHUHBX-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB O=C(OCc1c(F)cccc1Cl)c1snnc1-c1cccs1 223847831 GRDUFISDWVTMPA-UHFFFAOYSA-N 354.815 4.416 0 40 FIAB CCCCOCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OC 224439581 AZYWZDKXHGXDED-UHFFFAOYSA-N 371.433 4.051 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F 225148278 HJLKLBWNRADAMV-LBPRGKRZSA-N 362.832 4.189 0 40 FIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OC)c1 225801598 AXFPIXIMMAHEPI-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1 225810013 FSPQPBFZZOQACL-LBPRGKRZSA-N 373.815 4.339 0 40 FIAB CC(C)Oc1cccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260759292 FWANPHAVPSLNOD-NIKGAXFTSA-N 353.491 4.458 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3cccs3)sc2C)c(OC)c1 408830266 PAXIMHXHSADZFR-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1C 409119570 SDJFVUSFEQCHQD-MRXNPFEDSA-N 370.518 4.395 0 40 FIAB O=C(Nc1cnc2c(c1)CCCC2)N[C@@H](Cc1ccccc1)c1ncco1 654032839 AGOACLGRECYAAX-IBGZPJMESA-N 362.433 4.054 0 40 FIAB COc1ccc2cc(C(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)c(C)nc2c1 655046428 LJLLTWQEDAJVGQ-QKKBWIMNSA-N 361.445 4.170 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)c1nnc(COC[C@H]2CCCO2)o1 1328230929 FGOVTMLRQOZQQG-KBXCAEBGSA-N 354.406 4.058 0 40 FIAB CCCSCc1nnc2sc(Cc3cccc(C(F)(F)F)c3)nn12 1775972200 NJUNAGPUZYHJPL-UHFFFAOYSA-N 372.441 4.439 0 40 FIAB Cc1cc(=O)c(O)c(-c2[nH]c(-c3ccccc3O)nc2-c2ccccc2)o1 1776111582 NKKMOLMUUPMJBN-UHFFFAOYSA-N 360.369 4.084 0 40 FIAB CC[C@@H](C)c1ccc(-c2cc(C(=O)OCC(N)=O)c3ccccc3n2)cc1 2620458 CIKOETFYLAEAHG-CQSZACIVSA-N 362.429 4.057 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)cn2)o1 800744 BFLHAODSZXBOHN-UHFFFAOYSA-N 358.781 4.168 0 40 FIAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 806854 JOZQLRVDLAEZRV-GOSISDBHSA-N 374.440 4.230 0 40 FIAB COc1ccc(-c2cc3nc(C)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1 1340749 YVCQBCJHRUNBFT-HUUCEWRRSA-N 350.466 4.196 0 40 FIAB CSCc1nc2ccccc2n1CC(=O)N[C@H](C)CCc1ccccc1 21706909 LTUGGUSADUNQFX-MRXNPFEDSA-N 367.518 4.037 0 40 FIAB COCCNc1nc(-c2ccc(OC(=O)c3ccccc3)cc2)cs1 21891499 LSEJNWBBGNQCLO-UHFFFAOYSA-N 354.431 4.088 0 40 FIAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 7928652 QRQHJJLVEWCIDQ-SFHVURJKSA-N 351.446 4.073 0 40 FIAB CC/C(NCc1ccc(Cl)c(Cl)c1)=C1\N=C(c2ccco2)OC1=O 100158063 AZTUEGXMASKZRA-FYWRMAATSA-N 365.216 4.301 0 40 FIAB CC(C)c1ccc(OC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 8674017 CARZBQUVFCKNAQ-UHFFFAOYSA-N 365.385 4.455 0 40 FIAB CCC[C@H](NCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1ccccc1 22384864 HKQSYAQMRUSWNN-INIZCTEOSA-N 367.518 4.494 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cn1 22464397 PBXGGCZDOFCWNC-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB CCN(C(=O)c1sc2nc(C)cc(COC)c2c1N)c1ccccc1 9235960 WGWKTHZWBGZLEL-UHFFFAOYSA-N 355.463 4.000 0 40 FIAB CC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@H]3CCCO3)o2)cc1 28224824 CREMWECIODCIPP-QGZVFWFLSA-N 357.450 4.065 0 40 FIAB Nc1nc(SCc2nccn2C(F)F)nc2sc3c(c12)CCCC3 12529509 ZWIHTIPRFMNTAH-UHFFFAOYSA-N 367.450 4.036 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)n1 24758001 HSXAJTKEAQMCDY-UHFFFAOYSA-N 372.428 4.177 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(Br)c1 12521059 PCFKVNLHKQHWJK-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)c1 3280744 SYCZANHUVXMFMP-HNNXBMFYSA-N 370.503 4.209 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609852 GIGOXJPQFDJCMK-UHFFFAOYSA-N 372.428 4.460 0 40 FIAB CC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl 1513640 IKINOIVAERNRHB-UHFFFAOYSA-N 352.615 4.292 0 40 FIAB c1ccc2c(CN3CCN(c4ncnc5sccc45)CC3)csc2c1 57323007 CXPKMEMIMDWFFU-UHFFFAOYSA-N 366.515 4.228 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20047357 RJYZYOXMAVSZPR-LJQANCHMSA-N 366.461 4.226 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1 3334067 XNWWTGPOOXJTSQ-RMKNXTFCSA-N 368.429 4.068 0 40 FIAB COc1ccc(CCN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 27055175 LWLWSAKDLSRXHY-FQEVSTJZSA-N 353.462 4.236 0 40 FIAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1981447 IZOPZZYQNQVQMA-JTQLQIEISA-N 368.216 4.186 0 40 FIAB Cc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)[nH]c2c1C(=O)CCC2 44719446 HUGJIMUXHIQDAB-UHFFFAOYSA-N 366.417 4.136 0 40 FIAB CSc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 10280878 OPBMCFQUMWKNKI-UHFFFAOYSA-N 354.519 4.324 0 40 FIAB CCc1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1 10336582 BGQBPRSCPAWLEP-OAHLLOKOSA-N 367.836 4.473 0 40 FIAB Cc1cc(C)n(CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)n1 58417377 SSUWIEDBMFEUDQ-UHFFFAOYSA-N 362.886 4.030 0 40 FIAB Cc1ccc(Cn2cc(NC(=O)c3ccc(Br)cc3)cn2)cc1 28230360 RAOAOLFVBSHKPF-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC 2313240 XUGZHUKIYPOYRX-GDNBJRDFSA-N 357.793 4.092 0 40 FIAB Cc1ccccc1OCCCC(=O)N1CCC(c2ccc(O)cc2)CC1 48354403 WGBSVWBTGQGFDZ-UHFFFAOYSA-N 353.462 4.266 0 40 FIAB Cc1ccc(-c2nc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn3n2)cc1 2430690 OHLLWTXJAAHSLR-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB CCn1c(SCc2coc(-c3ccccc3)n2)nc2ccsc2c1=O 12913040 BXTISTQWWJWANH-UHFFFAOYSA-N 369.471 4.425 0 40 FIAB CCc1cc2c(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)ncnc2s1 6225109 UYWUUDHVFVFCHD-SLEUVZQESA-N 363.552 4.287 0 40 FIAB CC[C@H](NC(=O)c1ccc(OCc2noc(C)n2)cc1)c1ccc(C)cc1 14085295 PRJZFHMUSDQLOJ-IBGZPJMESA-N 365.433 4.147 0 40 FIAB CCn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2ccccc21 8725612 ZZYDPKBRYABNIK-GOSISDBHSA-N 369.465 4.307 0 40 FIAB Cc1ccc2c(CC(=O)OCc3cn4cc(Cl)ccc4n3)coc2c1 6465751 UTVJCVBDWXAWBP-UHFFFAOYSA-N 354.793 4.328 0 40 FIAB COc1ccccc1CNC(=O)Cc1csc(-c2ccccc2Cl)n1 6789344 UJZALUOISHFJAJ-UHFFFAOYSA-N 372.877 4.331 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc2cccnc12 7979546 ZKLKVKSGAGJJPN-GOSISDBHSA-N 362.433 4.020 0 40 FIAB Cc1cccc(N2CCN(C(=O)N[C@H](C)c3ccc(F)c(F)c3)CC2)c1C 8394904 BQVUHSNLRMDWRC-MRXNPFEDSA-N 373.447 4.174 0 40 FIAB O=C(COc1ccccc1)Nc1nc2ccccc2n1Cc1ccccc1 9356267 INEWANJCIKBRBS-UHFFFAOYSA-N 357.413 4.102 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1c1nc2ccccc2s1 9712341 MCTDZXJIMLARGP-HNNXBMFYSA-N 366.442 4.392 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C(C)C)C3CC3)c12 84066646 KXKQHBINOKMWJA-UHFFFAOYSA-N 354.498 4.385 0 40 FIAB CC(C)[C@H](Cc1ccc(F)cc1)NCc1nnc(-c2ccccc2F)o1 95466670 ZZLFNVLCNQISLS-SFHVURJKSA-N 357.404 4.372 0 40 FIAB Cc1cccc(C2(C(=O)N[C@@H](C)[C@@H](O)c3cccc(F)c3)CCCC2)c1 89669198 BBNGQKFLOSEOHM-OXJNMPFZSA-N 355.453 4.184 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)c1 408680271 QMERXICZBCKXRG-SFHVURJKSA-N 357.519 4.429 0 40 FIAB Cc1sc2nc(-c3cc(Br)ccc3O)nc(O)c2c1C 408734098 DAYYSXBEPBCJIB-UHFFFAOYSA-N 351.225 4.149 0 40 FIAB Fc1cccc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)c1 306142242 WUGLLGQBWDAHEM-QGZVFWFLSA-N 350.441 4.267 0 40 FIAB CCOC(=O)C[C@H](NCc1ccc(OC)c(OCC)c1)c1ccc(C)cc1 55399203 LGCHBNXZUXDFSH-IBGZPJMESA-N 371.477 4.186 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C)c(OC)c1OC 409410829 QVYJIRNHLJHHKH-UXBLZVDNSA-N 361.825 4.326 0 40 FIAB CCc1ccc(NC(=O)CSc2noc(-c3ccc(OC)cc3)n2)cc1 32611997 OVKDBVWHIXCSLX-UHFFFAOYSA-N 369.446 4.038 0 40 FIAB CC(C)CCNC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408678755 VCBIGRVXMJZZPM-UHFFFAOYSA-N 352.409 4.090 0 40 FIAB Cc1cc(C(F)(F)F)nc(Sc2oc(C=O)cc2Br)n1 408553852 QTNUXVIJKBXQCX-UHFFFAOYSA-N 367.146 4.123 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCCCc1cccc(OC(C)C)c1 219288018 ONDMJRYMYWZJRR-GOSISDBHSA-N 355.478 4.299 0 40 FIAB Cc1cc(C)cc(Nc2c(-c3ccc(C(=O)O)cc3)nc3cnccn23)c1 35622635 DVRYBZYSPRYJAN-UHFFFAOYSA-N 358.401 4.455 0 40 FIAB COc1ccc(-n2ccnc(SCc3ccc(Cl)cc3)c2=O)cc1 6915496 PZAMKQFDXVCQRL-UHFFFAOYSA-N 358.850 4.187 0 40 FIAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc(OC)c(F)c2)c1 71760491 IXYGAXSFLUMJIQ-UHFFFAOYSA-N 364.442 4.441 0 40 FIAB CC(C)c1ccc(OCC(=O)N(Cc2ccccn2)Cc2ccco2)cc1 62018065 XNIDHNDURKKJIJ-UHFFFAOYSA-N 364.445 4.406 0 40 FIAB Cc1nnsc1C(=O)Nc1sccc1-c1nc2ccccc2s1 38493091 IDCJOWUCXJCHHO-UHFFFAOYSA-N 358.473 4.437 0 40 FIAB O=C(COC(=O)c1cc(F)ccc1Cl)Nc1ccc(F)cc1Cl 72330172 FIQQOXVENDRSFZ-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB O=C(Nc1ccccc1F)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577078 SZNPDUIZUJJJOC-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB CC[C@@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc(OC)cc1 44936499 YGMOMRUYHQYZOX-OAQYLSRUSA-N 363.461 4.130 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)c1 225066444 YEDLFEDAEPPDIO-KRWDZBQOSA-N 363.251 4.449 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccn2nccc2c1 225595093 RBZGFHKOHSJUGS-UHFFFAOYSA-N 352.781 4.203 0 40 FIAB COc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 223972933 HXGAGGMIJCQXIR-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB C[C@@H](Cc1cccc2ccccc12)C(=O)NCCOc1ccc(F)cc1 224943250 FCHLKOWCVDTNHW-INIZCTEOSA-N 351.421 4.353 0 40 FIAB Clc1cccc(COc2cncc(N3CC[C@H](c4cccnc4)C3)n2)c1 581188308 NJYGEVLOPFZUNF-KRWDZBQOSA-N 366.852 4.098 0 40 FIAB O=C(NC1CC1)[C@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96241655 QKSJXFSKMLPVMZ-IBGZPJMESA-N 366.530 4.048 0 40 FIAB Cc1nc2c(C(=O)N3CCC(Oc4ccc(F)cc4F)CC3)cccc2o1 279302030 MGSAOLPAYOMTDB-UHFFFAOYSA-N 372.371 4.098 0 40 FIAB CN(C)CC1(CNc2nc(-c3ccccn3)nc3sccc23)CCCC1 1186062197 UZUUOOYXPZAWQP-UHFFFAOYSA-N 367.522 4.287 0 40 FIAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CC[C@H](C)C2(CCCCC2)C1 622514145 LSLPWDJALKJOPB-ZDUSSCGKSA-N 357.420 4.029 0 40 FIAB Cc1nc([C@H](C)NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)cs1 623585815 BMDINASPCROYSU-SMDDNHRTSA-N 365.449 4.380 0 40 FIAB COc1ccc2c(c1)[C@@H](C(=O)NC1(c3nc(C)cs3)CCCC1)CCC2 653637440 IZKWSEZUNHCEHR-KRWDZBQOSA-N 370.518 4.466 0 40 FIAB COc1ccnc(CNC(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c1F 660503479 AWPXEEAOCCNDAP-VIFPVBQESA-N 372.227 4.097 0 40 FIAB CO[C@H](CNC(=O)NCc1cccc2ccccc12)c1ccc(C)s1 96104888 WCVNUGZIPPDFJD-GOSISDBHSA-N 354.475 4.397 0 40 FIAB O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)CC2)N1Cc1ccccc1 585100124 GFEBNZLOTOPTTI-HSZRJFAPSA-N 366.480 4.373 0 40 FIAB O=C(Nc1cnc2ccccc2c1)C1(c2cccc(F)c2)CCOCC1 57195732 RZWZGDJJLRMTAG-UHFFFAOYSA-N 350.393 4.061 0 40 FIAB CCc1cc2c(Nc3ccc(CN4CCCC4=O)cc3)ncnc2s1 76835613 MDCSHNOEMRGKJT-UHFFFAOYSA-N 352.463 4.120 0 40 FIAB O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)[C@@H]1CC=CCC1 12739169 LHFJKQPLACMYOG-WOJBJXKFSA-N 373.456 4.493 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSC1CCCCC1 14398168 NJDXCIPFPOFVRY-GOSISDBHSA-N 351.512 4.035 0 40 FIAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2)cc1 15140237 QYXNBASWPIXPPM-UHFFFAOYSA-N 374.937 4.344 0 40 FIAB Cc1ccc(C(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)cc1Cl 16312711 GOGJBAUXRAILEB-MLGOLLRUSA-N 374.790 4.291 0 40 FIAB O=C(c1cccs1)N1C[C@@H]2CCCCN(CCc3ccc(F)cc3)[C@@H]2C1 19342902 CPCXHOLMLYIMAY-PKOBYXMFSA-N 372.509 4.056 0 40 FIAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)[C@@H]3CC=CCC3)CC2)C1 19590844 WEUQVRVNUBVQTQ-TWEIKEKHSA-N 368.521 4.007 0 40 FIAB O=C(CCCn1ccnc1)N1CCCCCCCc2ccccc2OCC1 643584286 LMRKOWSDVAADRE-UHFFFAOYSA-N 369.509 4.078 0 40 FIAB COc1cccc(CNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1 17069982 VQWDERZCTHUULS-UHFFFAOYSA-N 352.356 4.056 0 40 FIAB Cc1cccc(-c2nsc(SCC(=O)NCc3ccc(F)cc3)n2)c1 2917562 OAJWQGHKCUHWKC-UHFFFAOYSA-N 373.478 4.061 0 40 FIAB CCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(C)cc1 4120360 BYCPCMPDFFWSCV-UHFFFAOYSA-N 354.475 4.139 0 40 FIAB Cc1cccc2sc(N(CCN(C)C)C(=O)/C=C/c3cccs3)nc12 4359229 BWVFAERESDOFHG-MDZDMXLPSA-N 371.531 4.274 0 40 FIAB Fc1cccc(Cl)c1CSc1nnc2ccc(-c3cccnc3)nn12 4377011 NUPYODVDVCAVSV-UHFFFAOYSA-N 371.828 4.271 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1cccs1 5256507 FIODDNWWOUEXRL-SFHVURJKSA-N 353.447 4.195 0 40 FIAB Cc1cc2c3c(c1)C(CN1c4ccccc4C[C@H]1C)=CC(C)(C)N3C(=O)C2=O 1857657209 KKZMJSFSTCKQNA-OAHLLOKOSA-N 372.468 4.151 0 40 FIAB CC[C@@H](C(=O)NC[C@@](C)(O)c1cc2ccccc2s1)c1ccccc1 217501576 XVEWJSQUMUFRDZ-DYESRHJHSA-N 353.487 4.419 0 40 FIAB O=C(Cc1ccc(F)cc1F)N1CCS[C@H](c2ccccc2F)CC1 219126401 ZXZQBNBUVHPLCA-SFHVURJKSA-N 365.420 4.353 0 40 FIAB Cc1ccccc1[C@H]1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CCS1 219268067 XQLAWYHYYBSBCO-LJQANCHMSA-N 367.474 4.299 0 40 FIAB O=C(NCc1ccnc(-c2cccnc2)c1)c1csc(-c2ccccc2)n1 225640838 WLXYBKQYDWPMEZ-UHFFFAOYSA-N 372.453 4.197 0 40 FIAB O=C(NCC[C@@H](CCO)c1ccccc1)Nc1cccc(C(F)(F)F)c1 206631256 HAUUORQWDYYRKI-HNNXBMFYSA-N 366.383 4.383 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1csc2ccccc12 585148017 NKGYIWGVLXJRLF-QGZVFWFLSA-N 359.878 4.337 0 40 FIAB COc1ccc(-c2nc(COc3ccc(F)c4c3C(=O)C[C@@H]4C)no2)cc1 32789316 WLDSTDFDXLYMJL-NSHDSACASA-N 368.364 4.153 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@@H](CC)C2 668421 RKFIRGQZZPDVFJ-GFCCVEGCSA-N 358.463 4.087 0 40 FIAB CCOc1cccc(CNc2ccc(I)cc2)c1 679763 RRYCUBLUNLLPSW-UHFFFAOYSA-N 353.203 4.302 0 40 FIAB Cc1ccccc1S(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1 682983 MFLFYSCBBNSMLU-UHFFFAOYSA-N 351.427 4.027 0 40 FIAB Cn1c(=O)c(Nc2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2 820725 IRIREUUKRPEUMP-UHFFFAOYSA-N 352.393 4.494 0 40 FIAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)c(C)c1 944076 TXELKNCERMCEGV-UHFFFAOYSA-N 369.442 4.369 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2C(N)=O)C1 998554 ZMBCZCPSOUEKGO-NSHDSACASA-N 360.454 4.143 0 40 FIAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 1248966 NQSRGPCXQMXSHW-HXUWFJFHSA-N 368.396 4.214 0 40 FIAB O=C(C1CCCCC1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 1337236 GYRZREVFWKAMIM-UHFFFAOYSA-N 373.497 4.178 0 40 FIAB C[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc2N1C(=O)c1ccccc1 1381847 CTPWRAXATNYHQB-QGZVFWFLSA-N 356.425 4.269 0 40 FIAB O=C(Nc1ccccc1)N(Cc1ccccc1)c1nnc2n1CCCCC2 1468165 GQMARHKCTGICNQ-UHFFFAOYSA-N 361.449 4.243 0 40 FIAB Cc1nc2oc3c(NCCC(C)C)ncnc3c2c2c1COC(C)(C)C2 2238151 LIMYEJFLFIFWJC-UHFFFAOYSA-N 354.454 4.389 0 40 FIAB C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cn1 2637236 KOEVJDONTZNPCL-LBPRGKRZSA-N 360.841 4.217 0 40 FIAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 3117715 UCAVGVDOLSYXCZ-SFHVURJKSA-N 354.450 4.070 0 40 FIAB CCOC(=O)C1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 3203357 XLRCKYHYWLVVRR-UHFFFAOYSA-N 369.845 4.109 0 40 FIAB CC[C@@H](C(=O)OCC(=O)c1ccc(Br)s1)c1ccccc1 3341884 ZFBJKFOMJBTSPE-GFCCVEGCSA-N 367.264 4.430 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2c(F)cccc2Cl)cc1 3430332 PUTNWCNGCKXTGP-LBPRGKRZSA-N 362.832 4.141 0 40 FIAB Cc1cccc2cc(CN(C(=O)c3ccccc3)C3CCCC3)c(=O)[nH]c12 4230926 DXKGKOHUVPMTGK-UHFFFAOYSA-N 360.457 4.422 0 40 FIAB Cc1ccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 4463956 MRSDMUHNIQRRJA-XMMPIXPASA-N 370.452 4.185 0 40 FIAB CCOC(=O)[C@H](Oc1ccc2c(CC)cc(=O)oc2c1C)c1ccccc1 4747399 NHONSOWAAXCTGV-OAQYLSRUSA-N 366.413 4.347 0 40 FIAB CCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 4937215 ZIJCKENUKYKZEB-UHFFFAOYSA-N 370.474 4.439 0 40 FIAB CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3c(F)cc(F)cc3c21 4969956 CTOVYIJPTJZLEJ-UHFFFAOYSA-N 367.355 4.093 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccccc1Cl 5373793 UKUNIJDJVDCWGG-UHFFFAOYSA-N 354.837 4.282 0 40 FIAB COc1cc2c(cc1OC)-c1cc(C)c(C(=O)Nc3ccccc3)n1CC2 5429039 PNLOSSRMYCWWIU-UHFFFAOYSA-N 362.429 4.289 0 40 FIAB CCCCn1nc(C(=O)Nc2ccc(Cl)cc2C)c2ccccc2c1=O 5577923 ASGDRQNBOPNLRN-UHFFFAOYSA-N 369.852 4.411 0 40 FIAB CCN1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2sc(C)c(C)c12 6510554 HAEJEBUTPRAEQA-MRXNPFEDSA-N 367.522 4.266 0 40 FIAB O=C(COc1ccccc1Cl)N(Cc1ccccc1)c1ccccn1 6804378 AIMOXNRMLGAPFS-UHFFFAOYSA-N 352.821 4.347 0 40 FIAB Cc1ccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 6975368 CJGAALPYCXJNIP-UHFFFAOYSA-N 359.476 4.234 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1 7613765 FAAFNIRSFIXVKF-UHFFFAOYSA-N 352.371 4.081 0 40 FIAB COc1cc(CO)ccc1Oc1c(-c2ccccc2)c2ccccc2[nH]c1=O 8134360 BVRGKPZKGHLRJU-UHFFFAOYSA-N 373.408 4.488 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 8705928 UJEIZKZAZYZBFK-UHFFFAOYSA-N 364.426 4.455 0 40 FIAB COc1ccc(SCC(=O)NCc2ccc(-c3csc(C)n3)o2)cc1 9112810 XGYYDAJRSJPSRL-UHFFFAOYSA-N 374.487 4.129 0 40 FIAB CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 10187843 QGYDGABYDSEDKS-UHFFFAOYSA-N 368.433 4.010 0 40 FIAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cccnc1Cl 10714807 AIAPATIQCQIVIF-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB COc1ccc(-c2cn3c(C(=O)Nc4nc(C)cs4)csc3n2)cc1 11902227 OFMCELCLVHGXGC-UHFFFAOYSA-N 370.459 4.089 0 40 FIAB COc1ccc2[nH]c(CN3CCC(O)(c4cccc(C)c4)CC3)c(C)c2c1 12328528 IMRFQKHZMQWMOG-UHFFFAOYSA-N 364.489 4.277 0 40 FIAB COc1c(C)cccc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 12329088 GMYNYNIVJRHIRL-RLAPIPATSA-N 355.453 4.157 0 40 FIAB Fc1cc(F)cc(Cc2nn3c(-c4ccccc4Cl)nnc3s2)c1 12408445 LYZDDKIKOBSUBC-UHFFFAOYSA-N 362.792 4.375 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccc(Cl)c1 14004928 AEQCOMBGSVASBN-UHFFFAOYSA-N 354.793 4.115 0 40 FIAB COc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CC[C@@H](C)C3 14136122 WABWJKVMABZZIJ-SNVBAGLBSA-N 358.488 4.243 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 14141565 KAGITOKNRVFKHQ-KRWDZBQOSA-N 370.518 4.156 0 40 FIAB Clc1cc(Cl)c2nnc(SCc3nc4ccccc4o3)n2c1 14157805 NVLWITIUVXKGHS-UHFFFAOYSA-N 351.218 4.470 0 40 FIAB Cc1ccc(CCC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1Cl 14164303 CFCOSKIEFJAMHY-UHFFFAOYSA-N 370.880 4.246 0 40 FIAB Cc1cc(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)on1 14677448 FKUWFYRXCJKOSK-UHFFFAOYSA-N 366.446 4.484 0 40 FIAB Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2ccc(Cl)cc12 14878098 XJGBSLKHZFDQHS-UHFFFAOYSA-N 368.864 4.353 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)NC2CCC(C)CC2)cc1 15949283 YNLNQXMUNSXUOE-UHFFFAOYSA-N 356.466 4.108 0 40 FIAB O[C@@H](CNCc1ccccc1OCc1ccccc1F)c1ccccc1 16477559 QHVHJIIMIVVFAX-NRFANRHFSA-N 351.421 4.228 0 40 FIAB COc1cc(C(=O)N[C@H](C)c2cccnc2)ccc1OCc1ccccc1 17801583 WYSWTPIDVBZSLD-MRXNPFEDSA-N 362.429 4.160 0 40 FIAB CC(C)C(=O)N1[C@H]2CC[C@@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 19085092 FAIZUUFHJPKPCY-FUHWJXTLSA-N 362.477 4.342 0 40 FIAB CC(C)n1nccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 19454617 AMNYTIPUHJBSOW-UHFFFAOYSA-N 357.417 4.327 0 40 FIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3)[C@H]3CCCC[C@H]32)cc1OC 19561433 AINVUQRLJAEZAP-KSCDAYEDSA-N 352.478 4.161 0 40 FIAB COc1ccccc1CN1CCC(c2nnc(-c3cccs3)o2)CC1 19570170 XDCGFFUGUYVHEE-UHFFFAOYSA-N 355.463 4.186 0 40 FIAB COc1ccc2c(ccn2CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 20728863 FISRAHAJDAUOPQ-UHFFFAOYSA-N 364.323 4.187 0 40 FIAB C[C@@]1(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)CC1(Cl)Cl 22192237 MOERUZZRVAVJIE-HNNXBMFYSA-N 369.273 4.267 0 40 FIAB CCc1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 23053367 RJBFLPLEWNRYMR-AWEZNQCLSA-N 364.367 4.057 0 40 FIAB Cc1noc(C)c1COC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 24135445 ZOPPAKRQSKEPNG-UHFFFAOYSA-N 369.421 4.141 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)CNc2ccc(F)c(C(=O)OC)c2)cc1 25065586 XOZMSQHDGSBSGJ-ZDUSSCGKSA-N 358.413 4.176 0 40 FIAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)N1CCCc2ccccc21 29282292 VDDKQQLHAKKPRT-OAHLLOKOSA-N 363.486 4.398 0 40 FIAB Cc1nc(C)c(C(=O)NC(C)(C)c2ccc(Br)cc2)s1 32399509 RKSBBURYKBPKOW-UHFFFAOYSA-N 353.285 4.188 0 40 FIAB Cc1cn(S(=O)(=O)c2cc(C)c(Cl)cc2C)c(-c2ccccc2)n1 32603653 XXLKOBOYPZOZBN-UHFFFAOYSA-N 360.866 4.366 0 40 FIAB CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccc(Cl)s1 32759346 PKCARLNXPUMMMC-UHFFFAOYSA-N 368.289 4.085 0 40 FIAB C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 32901813 GAHGMAUPAVVNHW-OAHLLOKOSA-N 355.457 4.295 0 40 FIAB Cc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(C(C)C)cc3)c2c1 33876615 CLCUUIKSVLZROF-UHFFFAOYSA-N 356.491 4.121 0 40 FIAB O=C(NCc1cc(-c2ccccc2F)on1)c1ncc(-c2ccccc2)o1 38754347 NEJRKMIDGKVJOJ-UHFFFAOYSA-N 363.348 4.066 0 40 FIAB COC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38835157 BZBWBKHWNFIPQI-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB COc1ccc(OC)c(CNC(=O)Nc2cccc(Cl)c2Cl)c1 40097550 HDEXNFQAMDHYNC-UHFFFAOYSA-N 355.221 4.332 0 40 FIAB CC1=NN(c2ccc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)cc2)CC1 40132470 NHKLJFRFCWVVEE-CQSZACIVSA-N 357.404 4.384 0 40 FIAB CCOc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44911254 OFUKIYFVLJPRAF-KRWDZBQOSA-N 356.441 4.075 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 46668806 HZBJYHZMMYICBG-UHFFFAOYSA-N 359.853 4.426 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc2ccc(-n3cccc3)nc12 49027993 KKRSESSDAUEGFL-INIZCTEOSA-N 357.413 4.432 0 40 FIAB CC(C)Oc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c(F)c1 52020015 JLUFKLFZTXHLPL-UHFFFAOYSA-N 357.360 4.190 0 40 FIAB O=C(CN1CCC[C@H]1c1ccsc1)Nc1ccc(N2CCCC2)cc1 52803497 MNNAHPJNFVYOSW-IBGZPJMESA-N 355.507 4.124 0 40 FIAB C[C@]12CC[C@@](O)(C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 68562559 LLOYXBYLIJXIJG-LQDXZBFHSA-N 359.510 4.027 0 40 FIAB biogenic C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 69049051 PIDMGOVESLRVGM-UIFIKXQLSA-N 364.489 4.243 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3ccc(C)s3)n2)cc1 72264885 PMNLNAKPWBDPKB-UHFFFAOYSA-N 358.488 4.161 0 40 FIAB CN(c1ccccc1NC(=O)NC[C@@H](c1ccco1)N(C)C)C1CCCC1 83847728 IXAOCFRQKXLJAT-IBGZPJMESA-N 370.497 4.083 0 40 FIAB Cc1cc(-c2csc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)n2)c(C)o1 84081687 OIYXLHJODVKYNJ-SJCJKPOMSA-N 370.430 4.187 0 40 FIAB c1ccc2c(c1)C[C@@H](CNCc1cc3ccccc3nc1N1CCCCC1)O2 84594828 HBNSMEUFNJGFGL-NRFANRHFSA-N 373.500 4.318 0 40 FIAB CC(C)N(C)c1cccc(NC(=O)NCc2ccc(F)c(CN(C)C)c2)c1 84597197 CDYATLYZAFGQNR-UHFFFAOYSA-N 372.488 4.054 0 40 FIAB Cc1nc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)oc1C 89558333 HGTFNUHERUNCJK-SJORKVTESA-N 363.502 4.045 0 40 FIAB Cc1ccc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)cc1 95116387 DXOWFMKTFWKVPN-UHFFFAOYSA-N 354.435 4.112 0 40 FIAB Cc1cc(N[C@H](CC(C)(C)C)C(F)(F)F)n2nc(C(F)(F)F)nc2n1 95993866 DCYPXTHWTDMMQS-MRVPVSSYSA-N 369.313 4.231 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102402599 CHXOLVYQWGABCC-VKFLQFAXSA-N 369.486 4.185 0 40 FIAB O[C@@H]1c2cc3ccccc3nc2SC2=NC(c3ccc(Cl)cc3)=N[C@H]21 103642239 RZOWQNVKVVXICL-JKSUJKDBSA-N 365.845 4.255 0 40 FIAB O=C(COc1ccc(Cl)cc1CO)Nc1ccc(Cl)c(Cl)c1 107901310 BYUVRUIKDQDLDY-UHFFFAOYSA-N 360.624 4.157 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)cc1 219604402 GBLJFDKWDPWXQC-LJQANCHMSA-N 361.869 4.255 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C 222942507 VFXWMBKXZVRZGU-GFCCVEGCSA-N 373.324 4.425 0 40 FIAB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccccc2OC)cc1OCC 224228479 WTZXJGXIGQZGEG-INIZCTEOSA-N 371.477 4.303 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225022599 MKCAMMBYVPXSRX-LBPRGKRZSA-N 358.488 4.028 0 40 FIAB CCC(=O)N1CCS/C1=C/c1csc(Nc2ccc(OC)cc2)n1 225251726 IZXSCYVNLTWQJT-MHWRWJLKSA-N 361.492 4.179 0 40 FIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)cc1 225704191 BWUZYIFEJOLRQS-FQEVSTJZSA-N 351.487 4.416 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2C)no1 225816190 OECYJOBVIJWMED-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c(C)n1 225861686 VLNTVDJFLXNAQL-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB CCCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226277249 CSLJWXIDYICQNJ-GFCCVEGCSA-N 372.387 4.133 0 40 FIAB Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)o1 329386974 SQVFVDUXANDWII-QGZVFWFLSA-N 356.466 4.280 0 40 FIAB Nc1ccccc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 408600476 ZMXODCSNMQAYJE-UHFFFAOYSA-N 362.454 4.231 0 40 FIAB O=C(O)c1cc2cc(CN3CCC(COc4ccccc4)CC3)ccc2o1 569583398 PFGKXVWMJOTSSH-UHFFFAOYSA-N 365.429 4.422 0 40 FIAB COc1ccc2c(c1)OCCN([C@@H](C)c1ncc(-c3ccccc3)o1)C2 585080550 OYMXZCWAYPMGLR-HNNXBMFYSA-N 350.418 4.306 0 40 FIAB COc1ccc(-c2ccccc2)cc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCC[C@H]2O1 585261185 UGDQYCZEHWRCQE-CVNLYIMZSA-N 365.473 4.497 0 40 FIAB O=C(N[C@H]1CC[C@H](O)CC1)N1CCC(c2cccc3ccccc23)CC1 677113209 LFCYKBMLDJZSTK-WGSAOQKQSA-N 352.478 4.032 0 40 FIAB CC(C)c1c(C2CC2)[nH]c2cc(I)ccc2c1=O 685938621 QRJUWMKZAVNGIW-UHFFFAOYSA-N 353.203 4.134 0 40 FIAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccc2ncsc2c1 1775969110 XYOYQARPLRVYNN-AWEZNQCLSA-N 370.455 4.081 0 40 FIAB Cc1ccc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cc1C 652716 YBSWVFMKJAXAPZ-UHFFFAOYSA-N 366.318 4.474 0 40 FIAB O=S1(=O)c2ccccc2N[C@H](c2ccc(F)cc2)N1Cc1ccccc1 1098805 PIKRAKHBMHLJRG-FQEVSTJZSA-N 368.433 4.141 0 40 FIAB CCc1cccc(C)c1NC(=O)CN1CCC(Cc2ccccc2)CC1 1224422 KZYNBPUGAXQXKB-UHFFFAOYSA-N 350.506 4.451 0 40 FIAB Cc1sc2ncn(CC(=O)c3cccs3)c(=O)c2c1-c1ccccc1 1290915 ISHLAMADXJWZPV-UHFFFAOYSA-N 366.467 4.378 0 40 FIAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 1459936 FFRWXYWCXZOUAW-AWEZNQCLSA-N 372.852 4.119 0 40 FIAB CCOc1cc(C=O)ccc1OCCOc1cccc(Br)c1 3308494 XVUNZTJSDOHSCO-UHFFFAOYSA-N 365.223 4.118 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)C1(c2ccc(Cl)cc2)CCCC1 3429028 XKKXZUQGPMSTHQ-UHFFFAOYSA-N 357.837 4.197 0 40 FIAB CC(C)Cn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc21 3498581 YZPMTPVBVARAFG-UHFFFAOYSA-N 374.897 4.472 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)c3cccc(SC)c3)nc12 4517554 UZLDBAUTSLHYRT-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1 5256011 ROSBCGPCUYPKQK-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB CC(C)c1ccc(C(=O)C[C@@H](NCc2ccc(Cl)cc2)C(=O)O)cc1 5285195 JCWSLLQGCKECQX-GOSISDBHSA-N 359.853 4.279 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccccc2Cl)NC(=O)N1 5753735 VJNOOYNQYVGCLJ-GOSISDBHSA-N 369.852 4.223 0 40 FIAB CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 6356437 QSVNWNFZCUGDFN-UHFFFAOYSA-N 372.881 4.418 0 40 FIAB CCOc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC 6537827 TYJRNHLTXOBGCY-SXGWCWSVSA-N 371.820 4.400 0 40 FIAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(Cl)c1 6649308 JDKPGKZCVISTFB-UHFFFAOYSA-N 368.614 4.126 0 40 FIAB CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)NC3CC3)s2)cc1 6784832 QTFRCTXHWHNDRL-LLVKDONJSA-N 362.524 4.164 0 40 FIAB COc1cccc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 6966851 QYUCNXFOLICONO-UHFFFAOYSA-N 359.857 4.011 0 40 FIAB O=C(NCCCn1cnc2ccccc21)c1csc(-c2ccsc2)n1 7117879 PHKDYFRGUFAVFG-UHFFFAOYSA-N 368.487 4.041 0 40 FIAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 7319268 IXWPVSVOAIZSNX-UHFFFAOYSA-N 359.838 4.048 0 40 FIAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccccc1F 8654871 YQIGKSIURRWERF-LJQANCHMSA-N 360.860 4.436 0 40 FIAB COc1ccc(-c2c(-c3ccc(OC)cc3O)n[nH]c2C(F)(F)F)cc1 9357294 ASUAFRHYKNEUGG-UHFFFAOYSA-N 364.323 4.485 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1ccc2ccccc2c1)c1cccc(F)c1 9367318 XZNAOEUXXSONIB-FQEVSTJZSA-N 359.404 4.232 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)Nc2nc3ccccc3s2)cc1 10282862 OMZYQDWKXGLRTC-UHFFFAOYSA-N 368.506 4.460 0 40 FIAB COc1ccccc1N1CCN(C(=O)CCc2ccc(C(C)C)cc2)CC1 10315343 JGNJHKHSQAWIQO-UHFFFAOYSA-N 366.505 4.100 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)NCc1coc(-c2cccs2)n1 10884733 AWXCAPOVCWJXBU-UHFFFAOYSA-N 367.405 4.329 0 40 FIAB COC(=O)c1c(NC(=O)C2=Cc3ccccc3OC=C2)sc(C)c1C 11689852 CJXHFEQNOOYIOM-UHFFFAOYSA-N 355.415 4.080 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)Nc1nnc(-c2ccccc2)s1 11806558 WWQNXMFAVLOKSE-ZHACJKMWSA-N 373.384 4.458 0 40 FIAB COc1cccc(CNc2ncc(-c3cnccn3)c(-c3ccoc3C)n2)c1 12252470 BJOMJUCSWCLDRU-UHFFFAOYSA-N 373.416 4.123 0 40 FIAB O=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCCc2ccccc21 12374389 UIHOIMOOIUSDKY-UHFFFAOYSA-N 370.452 4.279 0 40 FIAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1-c1ccccc1 12696050 LKJVADUOWMWNOM-UHFFFAOYSA-N 374.465 4.431 0 40 FIAB COc1ccc(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)c(O)c1 13125676 TUIMTUVNMKAOQE-UHFFFAOYSA-N 367.352 4.309 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1C 13669322 HCBWXUDHZGFVPM-OAHLLOKOSA-N 357.475 4.432 0 40 FIAB CN(C(=O)CSc1ccccc1C(=O)NC1CCCC1)C1CCCCC1 14113982 SGSRDFXGBUMHHE-UHFFFAOYSA-N 374.550 4.242 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)C2(c3cccc(F)c3)CCCC2)c1 14663392 FZEMLZUCUCROSD-UHFFFAOYSA-N 355.409 4.371 0 40 FIAB FC(F)(F)c1cnc(Sc2nnc(NC3CC3)s2)c(Cl)c1 15116419 WLSBENGBQDRNKI-UHFFFAOYSA-N 352.794 4.331 0 40 FIAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc2c(c1)OCCCO2 15618690 AAHIBLOXIAZDJX-RUDMXATFSA-N 374.234 4.262 0 40 FIAB Fc1ccc(COc2ccc(Br)cc2CNC2CC2)cc1 16401755 WFHYPYLTGJYOPC-UHFFFAOYSA-N 350.231 4.419 0 40 FIAB CN(Cc1nc(O)c2cc(Cl)ccc2n1)[C@H]1CCCc2ccccc21 16695274 XDQAXSBTBVBHCB-SFHVURJKSA-N 353.853 4.498 0 40 FIAB COc1cccc(CNC(=O)N[C@H](C)c2ccc(Br)cc2)c1 17069971 PCMPKRBCRWSYOW-GFCCVEGCSA-N 363.255 4.018 0 40 FIAB COc1ccc(CCNC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 17338208 VISXQYVOSJQKGL-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccc(Cl)cc1 19295668 ZSUHNFMVQUDBQU-CYBMUJFWSA-N 355.825 4.200 0 40 FIAB CCOCc1ccc(C(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)cc1 19531219 KJPYBGKEWTZARN-UHFFFAOYSA-N 363.461 4.119 0 40 FIAB Cc1ccc(N)cc1NC(=O)c1ccc(OCCOc2ccccc2)cc1 19736121 XCNZZHNTGYWWGK-UHFFFAOYSA-N 362.429 4.287 0 40 FIAB CCOc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCC 19872011 GPNXIOHGRPOPIQ-LIRRHRJNSA-N 363.885 4.349 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 20029858 CYXWPTYXXYLCKG-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1Cl 20144573 MJGLDWTUMZSUAW-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB COc1ccc(-c2noc(-c3cccc(NC(=O)C(C)(C)C)c3)n2)cc1 20900037 JDOSBSATLQGVTL-UHFFFAOYSA-N 351.406 4.397 0 40 FIAB CSc1nc(C)c(CCC(=O)Nc2cc(C(C)(C)C)ccc2O)c(C)n1 21006776 PZBYZZXSNYURDK-UHFFFAOYSA-N 373.522 4.390 0 40 FIAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3nccs3)c(C)c12 25176641 UHZUYAVRUWYJDP-UHFFFAOYSA-N 356.432 4.277 0 40 FIAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1 26771833 FPPSKLSVFGKMQD-IEIRFRATSA-N 365.473 4.204 0 40 FIAB biogenic COc1ccc(NC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 31663463 RCMHITOZJKHUAZ-NSHDSACASA-N 354.328 4.477 0 40 FIAB C[C@H](OC(=O)CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 32744860 UQPDFTVVFZXWLV-ZDUSSCGKSA-N 365.351 4.208 0 40 FIAB CCCOC(=O)c1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 33582699 YRUWVLJRQBJLKD-ATVHPVEESA-N 369.804 4.251 0 40 FIAB CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCC2)c1 35290354 XZBXXWDSLSEQTN-VCSGRIEYSA-N 369.509 4.339 0 40 FIAB CCC(CC)c1nnc(NC(=O)CSc2cccc(OC)c2)s1 40140597 XNYAETYAVUUWIM-UHFFFAOYSA-N 351.497 4.181 0 40 FIAB C[C@@H](c1ccccc1F)N(CC(=O)NCc1ccc(Cl)cc1)C1CC1 40155710 BPOSAIWKUDEOKF-AWEZNQCLSA-N 360.860 4.321 0 40 FIAB Brc1cc(Cc2ccccc2)ccc1OCC1CCNCC1 42774423 KOKFNFYNZGCTOV-UHFFFAOYSA-N 360.295 4.418 0 40 FIAB Cc1ncc(CN(C)C(=O)c2cccc(NC(=O)C3CCCCC3)c2)s1 46772003 FXFZPRNFQGFRJM-UHFFFAOYSA-N 371.506 4.243 0 40 FIAB CCn1c(=O)c(C(=O)Nc2ccc(C)c(Cl)c2)c(O)c2sccc21 49409503 POVOSBYLIHTBFS-UHFFFAOYSA-N 362.838 4.003 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3OC)n[nH]2)cc1 51315438 WSKOCBFVXSSUHC-UHFFFAOYSA-N 351.406 4.045 0 40 FIAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1 54313722 LPPUFCNUTQHYPH-UHFFFAOYSA-N 365.429 4.337 0 40 FIAB biogenic Cc1ccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)cc1C 65185497 ZKZNKVPYUPTAOP-UHFFFAOYSA-N 350.353 4.133 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)N3CCC(n4c(C)ccc4C)CC3)c2)cs1 65523824 OSNYRAMJTVVZIG-UHFFFAOYSA-N 368.506 4.342 0 40 FIAB COC(=O)c1cc(-c2csc(N)n2)ccc1OCc1cccc(Cl)c1 85397513 NVQNWGQJRANRML-UHFFFAOYSA-N 374.849 4.411 0 40 FIAB O=C(Cc1ccc2c(c1)CCCC2)N(Cc1ccccn1)c1ccncc1 95456492 ONEJWGVNFHNIJB-UHFFFAOYSA-N 357.457 4.131 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 95481661 MDJGZFZCCFHQBG-GFCCVEGCSA-N 373.865 4.187 0 40 FIAB O=C(Nc1ccccc1N1CCOC1=O)c1cnc(-c2ccsc2)s1 95958522 ICUBFEVOLBSVTK-UHFFFAOYSA-N 371.443 4.081 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccccc3Cl)no2)c1 169890480 ICYIZBBXYPTMRH-UHFFFAOYSA-N 369.808 4.164 0 40 FIAB O=C(NCCOc1ccccc1)Nc1ccccc1-c1cn2ccccc2n1 206910206 BOMGWYJBCYMLDG-UHFFFAOYSA-N 372.428 4.202 0 40 FIAB O=C(Cc1ccc(F)cc1)NCc1ccc(C(=O)c2ccsc2)s1 211083592 BHNYGIMTCSHRGF-UHFFFAOYSA-N 359.447 4.039 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 216452637 KKHNSNOQHOAQND-HXUWFJFHSA-N 366.461 4.226 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SC)s1 222592172 LYFPXHOAXKAXCI-NSHDSACASA-N 357.888 4.018 0 40 FIAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223407743 PRUKKCMBQQKBPS-FQEVSTJZSA-N 372.896 4.346 0 40 FIAB CCOc1ccc(C(=O)NCCSC2CCCCC2)cc1OCC 225060163 STFOPABAHVEABU-UHFFFAOYSA-N 351.512 4.280 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N[C@@H](C)CC 225310800 QRIZAFBHCCUTMU-RYUDHWBXSA-N 359.297 4.035 0 40 FIAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1F 225808443 VPFOYVLTSCMLDP-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB NC(=O)c1cc(Br)ccc1OCc1cccc2ccccc12 226327685 JECYCDSWTJGTGY-UHFFFAOYSA-N 356.219 4.280 0 40 FIAB O=C(c1ccc(Cl)s1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253406943 VIFGRAFSFIXXEJ-VIFPVBQESA-N 365.867 4.143 0 40 FIAB CC(C)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1ccccc1)[C@H](C)c1ccco1 255188523 KJLFDBSOVIPOJE-APWZRJJASA-N 370.493 4.422 0 40 FIAB CC1(C)[C@H](NC(=O)C2CCC2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257205348 AYQCJQDWYZSRJN-HFEVTZJPSA-N 353.506 4.485 0 40 FIAB COCCC(=O)N[C@@]1(C)C[C@H](c2c(C)cccc2C)O[C@@H]2C[C@H](C)CC[C@H]21 257230318 GBSHGFOIXAGMJF-FPXAXAJJSA-N 373.537 4.481 0 40 FIAB COc1ccc(Cc2cnc([C@@H]3CCCN3Cc3cscn3)o2)cc1 257325831 WUOYMOWDBFLJCI-SFHVURJKSA-N 355.463 4.068 0 40 FIAB O=C1N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(Cl)cc1 409172889 MOAPTJDHJPYOOZ-NTEUORMPSA-N 366.726 4.456 0 40 FIAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cc(-c2ccoc2)cs1 1775972076 UQMRLKMXHSSBJD-UHFFFAOYSA-N 367.879 4.448 0 40 FIAB Cc1ccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)cc1 645170 YNJDVUQWLOAXPH-UHFFFAOYSA-N 353.447 4.090 0 40 FIAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(C2CCCCC2)cc1 1361619 GSRLLPANBXWINA-UHFFFAOYSA-N 364.445 4.098 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1713833 KRBMZSYRIJAAMS-ZEPKUMPTSA-N 374.521 4.201 0 40 FIAB Cc1ccc(NC(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)cc1 1988101 NKQHXUWUZFSPBS-UHFFFAOYSA-N 374.227 4.100 0 40 FIAB O=C(Cc1c(F)cccc1Cl)N1CC=C(c2c[nH]c3ncccc23)CC1 32901931 DYDJJHLHFLJINC-UHFFFAOYSA-N 369.827 4.214 0 40 FIAB CC(=O)c1sc(NC(=O)[C@H](C)Oc2ccccc2)nc1-c1ccccc1 6235357 POEWZVSJTGRIQI-AWEZNQCLSA-N 366.442 4.419 0 40 FIAB CCOc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1O 6960103 NQUZONYDVARKFJ-UHFFFAOYSA-N 355.503 4.421 0 40 FIAB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(C(=O)O)cc1 6968931 LTOHPGYNLPITHS-LGMDPLHJSA-N 371.396 4.030 0 40 FIAB CSc1cccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)c1 7940674 NQPWIEOICHOVHW-UHFFFAOYSA-N 357.410 4.169 0 40 FIAB COc1cc(CNC[C@H](C)O)ccc1OCc1c(Cl)cccc1Cl 8497959 KEGOPWOVZWKHDK-LBPRGKRZSA-N 370.276 4.051 0 40 FIAB Clc1ccc(-n2nnnc2-c2cnoc2-c2cccc(Cl)c2)cc1 721402 FOPNNYFTDGMMHZ-UHFFFAOYSA-N 358.188 4.291 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2Cl)nc1C 9604090 ZWCPQBZERQGCNR-UHFFFAOYSA-N 359.234 4.187 0 40 FIAB CCn1c(CNC(=O)COc2ccc(C(C)(C)C)cc2)nc2ccccc21 12507803 UORKAEQMMHCWQU-UHFFFAOYSA-N 365.477 4.049 0 40 FIAB C[C@H](CCc1ccco1)NC(=O)c1ccc(-n2cnc3ccccc32)cc1 12516883 UGLBOYWKUUUPHA-MRXNPFEDSA-N 359.429 4.370 0 40 FIAB CSc1ccc(Cl)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 25330089 LCSJMCDONZSPMZ-HNNXBMFYSA-N 354.928 4.156 0 40 FIAB C[C@H](Nc1ccc(NC(=O)C(C)(C)C)cc1)C(=O)Nc1cccc(F)c1 12590022 VFHFJZXLCTWOBK-ZDUSSCGKSA-N 357.429 4.249 0 40 FIAB COc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)cc1 100952505 YKSGONVEZVJEHM-INIZCTEOSA-N 356.788 4.135 0 40 FIAB CC(C)C(=O)OCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 3299845 DQZCFXIKFLHVOE-UHFFFAOYSA-N 373.261 4.255 0 40 FIAB COc1ccc(OC)c(NC(=O)c2c(C)noc2-c2ccc(C)cc2)c1 35671949 BGDPKDVSGWBBRR-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB C[S@](=O)c1ccc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1 58254018 LQPQBDCGQSHHCK-XMMPIXPASA-N 356.472 4.163 0 40 FIAB CCN(CC)c1ccc(NC(=O)N2CCC(c3ccccc3)CC2)cn1 58281974 WQGQJPQCRCPFLH-UHFFFAOYSA-N 352.482 4.339 0 40 FIAB CCn1ncc2c(C(=O)Nc3ccccc3OC)cc(-c3ccccc3)nc21 12618605 COMGRHNLYGINMJ-UHFFFAOYSA-N 372.428 4.379 0 40 FIAB COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)ccc1NC(C)=O 58356872 RLDQSMMVRUIYTC-HUUCEWRRSA-N 358.825 4.049 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58369480 IUUZAMIWBUXWLU-GFCCVEGCSA-N 358.492 4.486 0 40 FIAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)C(C)C)cc1 2203271 AVTXORKAHBWERZ-UHFFFAOYSA-N 361.445 4.111 0 40 FIAB COc1ccc(OCCCC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)cc1 12813669 LEHIARQTNCIAPF-JOCHJYFZSA-N 369.461 4.130 0 40 FIAB C[C@@H](NC(=O)CCCNC(=O)NC1CCCCC1)c1cc2ccccc2o1 12856256 IRVIXVBNPNUPKC-OAHLLOKOSA-N 371.481 4.022 0 40 FIAB COc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c(OC)c1 27756108 ONJGTZQDMZASPZ-UHFFFAOYSA-N 373.792 4.024 0 40 FIAB Cc1ccc2nc(NC(=O)c3cnc4c(cnn4C(C)C)c3)sc2c1 12935585 DGYFNMDEPRTLCQ-UHFFFAOYSA-N 351.435 4.183 0 40 FIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12901272 DFSIVIJKXPBXTF-CQSZACIVSA-N 366.442 4.419 0 40 FIAB CSc1ncccc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 13013018 YHTDSMWEYPHVHS-UHFFFAOYSA-N 369.471 4.114 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 6078886 DJNHXPVRUHVTIS-MRXNPFEDSA-N 356.853 4.139 0 40 FIAB CCCn1c(SCC(=O)c2ccc(C3CCCCC3)cc2)n[nH]c1=O 5015678 UXHYPSMIAFAYDR-UHFFFAOYSA-N 359.495 4.004 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1COc2ccccc2C1 8843774 SZWLZSXCHWTRCF-HNNXBMFYSA-N 368.433 4.063 0 40 FIAB CCCCC1=N[C@@H]2Sc3c(ncn4c(SC)nnc34)[C@@H]2C2=C1CCC2 6309927 MZLRSSBWLXQFJU-SUMWQHHRSA-N 371.535 4.487 0 40 FIAB CCN(CC(=O)NC(C)(C)C)c1nc(-c2cccs2)nc2ccccc12 14093334 KIEVMDPRYFGGMU-UHFFFAOYSA-N 368.506 4.099 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2cc(C)c(C)cc2O)[nH]n1 5343302 PVTVFHKJPJSGLC-UHFFFAOYSA-N 371.824 4.313 0 40 FIAB Cc1cc(-c2nnc(SCC(=O)c3ccc(C(C)(C)C)cc3)o2)no1 4816058 IASIRMSZHMGFQE-UHFFFAOYSA-N 357.435 4.306 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 15330018 OZDGCUWTNMFMMT-LLVKDONJSA-N 353.390 4.416 0 40 FIAB CCn1c(SCC(=O)Nc2ccnn2C2CCCC2)nc2ccccc21 7191843 ITLHWGBXZJEOBV-UHFFFAOYSA-N 369.494 4.099 0 40 FIAB COCCNc1oc2c(c1-c1ccccc1F)c(=O)oc1ccccc12 7636144 XPBOYVYAARTUEO-UHFFFAOYSA-N 353.349 4.404 0 40 FIAB Cc1nnc(COC(=O)c2ccc(-c3nc4ccccc4s3)s2)o1 8137918 YZOVPHFNKPQVIS-UHFFFAOYSA-N 357.416 4.073 0 40 FIAB Cc1sc(CCNC(=O)c2cccc(F)c2F)nc1-c1ccccc1 81713619 KWUNTISGSHLCPJ-UHFFFAOYSA-N 358.413 4.369 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3ccccc3F)o2)c1 8231008 KKVCWKRJVWURRQ-UHFFFAOYSA-N 364.376 4.230 0 40 FIAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 8404137 TUGRARAZFKDEGM-SNVBAGLBSA-N 367.829 4.005 0 40 FIAB c1ccc(-c2nnc(CSc3nnc(NCc4ccco4)s3)o2)cc1 9584381 OQROJLRWKCECFC-UHFFFAOYSA-N 371.447 4.086 0 40 FIAB Cc1nn(C)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1[C@H](C)c1ccccc1 9740430 RVJXRBSDKGAOOT-QVKFZJNVSA-N 360.461 4.365 0 40 FIAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(O)nc1 9888800 SPMNTVNKNPBANG-UHFFFAOYSA-N 350.418 4.001 0 40 FIAB CC(C)c1ccc(-c2nnc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)s2)cc1 95377501 XZENZQWVCUPAJB-CYBMUJFWSA-N 374.510 4.360 0 40 FIAB Cc1ccc(CC(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1O 95459364 LQVBRLOCAFQPQB-UHFFFAOYSA-N 374.412 4.207 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCSC2(CCCCC2)C1 75106016 BXBXUGOCABBXCC-AWEZNQCLSA-N 352.931 4.419 0 40 FIAB CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 89942076 FNNVYISECAMQED-BLVKFPJESA-N 370.440 4.083 0 40 FIAB CCN(C(=O)COc1ccccc1Cl)c1nnc(C)c2ccccc12 89969427 AFUFSLPQKZHCDR-UHFFFAOYSA-N 355.825 4.024 0 40 FIAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(C1CC1)C3 12442475 VXRWSAZSEAKHSL-UHFFFAOYSA-N 353.805 4.428 0 40 FIAB biogenic Fc1cccc(F)c1-c1csc(CNc2ccc3c(c2)OCCO3)n1 127343391 JATMZWKWQVBKKV-UHFFFAOYSA-N 360.385 4.472 0 40 FIAB Cc1csc(NC(=O)CCn2ccc3c(Br)cccc32)n1 39979724 MZUIKKRMDBJARS-UHFFFAOYSA-N 364.268 4.198 0 40 FIAB O=C(CSCc1ccccc1)NCc1ccccc1CN1CCCCC1 30551665 INFOAJWTQXKPNE-UHFFFAOYSA-N 368.546 4.222 0 40 FIAB O=C(Cc1cccc2ccccc12)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 553044029 RINJOORULABNNF-SGNDLWITSA-N 371.480 4.413 0 40 FIAB O=C(Cc1ccccc1)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 32647771 DBUVNAZNNAROJR-UHFFFAOYSA-N 360.244 4.419 0 40 FIAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccccc1Cl 217717055 BMTWVCPKNZKQSI-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB COC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 408749450 GXXFKSAEYOUBDL-UHFFFAOYSA-N 372.471 4.122 0 40 FIAB Cc1cc(C)cc(C[C@@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 35142347 WPOZRAXLPOUEII-KBXCAEBGSA-N 359.853 4.475 0 40 FIAB Cc1nc(OCC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2n1 33287281 DPOIWJUOEFPTNC-UHFFFAOYSA-N 362.216 4.263 0 40 FIAB CC[C@@H](C)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182072 KNODYBUIYYQPPP-CQSZACIVSA-N 351.475 4.329 0 40 FIAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1cc(Cl)ccc1Cl 72228894 GWERDBXXSBXXFF-UHFFFAOYSA-N 361.232 4.443 0 40 FIAB C[C@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)[C@@H]1C 36058550 AOWYYPBYAPIMFX-FVJLSDCUSA-N 372.553 4.166 0 40 FIAB COc1ccccc1-c1cc(-c2cccc(Br)c2)nc(N)n1 71978034 SUEQQCGXDACRTE-UHFFFAOYSA-N 356.223 4.164 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1N1CCCC1 72215977 FSCKMFCDTGHPFP-LJQANCHMSA-N 351.450 4.156 0 40 FIAB COc1ccccc1OC(=O)N[C@@H]1c2ccccc2O[C@@H]2CCCC[C@H]12 37613815 UXLAGYWHKLXIQR-XAUMDUMWSA-N 353.418 4.476 0 40 FIAB COc1cc(-c2cc(-c3ccc(C)c(C)c3)nc(N)n2)cc(OC)c1OC 71978352 WYNSFNHZGASKRP-UHFFFAOYSA-N 365.433 4.035 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C)cc2)ccc1Cl 225469035 AQGCFYWPOZZBLQ-LBPRGKRZSA-N 362.882 4.483 0 40 FIAB CCCOc1ccccc1CCCNC(=O)CCc1ccc(OC)cc1 225316739 YJEYWJAJTKUENU-UHFFFAOYSA-N 355.478 4.166 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 222796068 RXXSLDXYNNFOMT-OALUTQOASA-N 366.465 4.004 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(F)c(Cl)c3)c2c1 225755422 BEQRLZLKZQYWMK-UHFFFAOYSA-N 358.800 4.050 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2cccc(C)c2)c1 222742383 LUFLTBCCLLMUNJ-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB CCOC(=O)c1c(NC(=O)Nc2cccc(OC)c2)sc2c1CCCC2 225760612 MSPMKTBTZGGRLB-UHFFFAOYSA-N 374.462 4.456 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1cccc(OC)c1 44901711 GIZPGJLIKFQREB-IBGZPJMESA-N 361.869 4.255 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1C 225707632 PNVYWIFYCGUWRJ-INIZCTEOSA-N 367.518 4.478 0 40 FIAB Cc1ccc(CN2CC[C@]3(CCCN(CC4CCOCC4)C3)C2)cc1C 96215469 DJBYPZNCSZWCHH-QHCPKHFHSA-N 356.554 4.018 0 40 FIAB CC(C)[C@H](NC(=O)CCn1ccc2ccccc21)c1nc2ccccc2[nH]1 96223753 OIAJPGWPDMYQKL-NRFANRHFSA-N 360.461 4.421 0 40 FIAB Cc1cc2c(cc1C)N(C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1)CC2 585082174 WFQMERBVMBQAGA-UHFFFAOYSA-N 364.489 4.121 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCCc1cnc(-c2ccccc2)nc1 252571547 YEJMARNSBKTSSB-ZHACJKMWSA-N 363.848 4.169 0 40 FIAB CCCn1nccc1-c1cccc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257312941 UQHXVKMIHHRGSU-UHFFFAOYSA-N 368.525 4.182 0 40 FIAB Cc1ccc(=Nc2cccc(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)c2)[nH]n1 605514314 QAXZAUQHAOQRGK-NHCUHLMSSA-N 372.472 4.017 0 40 FIAB Cc1ccccc1C(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099865 NWGPRPGNUSJTFW-UHFFFAOYSA-N 369.515 4.142 0 40 FIAB O=C1C[C@H](C(=O)OCc2ccccc2)Nc2cc(Cl)cc(Cl)c21 575423491 NVKFMSFPKSFQBG-CQSZACIVSA-N 350.201 4.104 0 40 FIAB O=C(c1coc(-c2cccnc2)n1)N(c1ccc(F)cc1)C1CCCC1 585114285 BRNJJIWLHJJEDA-UHFFFAOYSA-N 351.381 4.465 0 40 FIAB CC(C)(C)n1nc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1C1CC1 51373140 WVNQBFDEAWDHFA-UHFFFAOYSA-N 357.420 4.366 0 40 FIAB O=C(CCC1CCC1)N1C[C@H]2CCC[C@]2(c2nc(-c3ccccc3)no2)C1 1615542230 OUXJCDPTVQHQOM-GCJKJVERSA-N 365.477 4.197 0 40 FIAB COC(=O)[C@]1(c2ccccc2)N=C(c2ccc(C)cc2)ON1c1ccccc1 5568062 JIAVRFRADFGXGK-HSZRJFAPSA-N 372.424 4.219 0 40 FIAB FC(F)c1cc([C@@H]2CN(Cc3cccnc3)C[C@H]2c2ccccc2)n[nH]1 12129107 KCWJOSIUSWIBBU-DLBZAZTESA-N 354.404 4.126 0 40 FIAB Cc1nn(CCC(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)c(C)c1C 12195955 LFHCUCVKXSBKDI-UHFFFAOYSA-N 350.466 4.197 0 40 FIAB C[C@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O 13651795 WSJCDIBESNMSPH-ZHIYBZGJSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1 13679867 DLASFGKLTSUBNN-UHFFFAOYSA-N 364.681 4.266 0 40 FIAB COc1ccc(CN(Cc2ccncc2)Cc2cccs2)cc1OC 13989899 JWBJAHNGGHSPSD-UHFFFAOYSA-N 354.475 4.363 0 40 FIAB COc1cc(OC)cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 14734639 QHLSZBKXKXPARH-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB CCc1nnc(S/C(=C\c2cc(C(C)C)c(OC)cc2C)C(=O)O)[nH]1 7342598 TXDNJAQKHSCHRG-DHDCSXOGSA-N 361.467 4.025 0 40 FIAB Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1=O 5440116 UWKPDJKHKPETFX-UHFFFAOYSA-N 352.478 4.277 0 40 FIAB CSc1ccccc1C(=O)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238838384 HGPKIPOWTRUKOO-LBPRGKRZSA-N 371.487 4.150 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 6307259 RVPYMTVWXWKCER-UHFFFAOYSA-N 370.430 4.122 0 40 FIAB O=C(Nc1nnc(CCSc2ccccc2)o1)c1ccc(Cl)cc1 10690336 SXSIHLLPHAZAHM-UHFFFAOYSA-N 359.838 4.310 0 40 FIAB Cc1ccccc1OCC(=O)N1CCS[C@@H](c2ccccc2F)CC1 219096238 DNGNNWPWTPUOPU-LJQANCHMSA-N 359.466 4.220 0 40 FIAB COc1ccccc1OCC(=O)N1CCS[C@@H](c2ccccc2C)CC1 219277850 RVUMOPMCDVGJBF-HXUWFJFHSA-N 371.502 4.089 0 40 FIAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1nc2ccccc2[nH]1 40087381 HFRIGVFHEYNZCU-NSHDSACASA-N 366.808 4.362 0 40 FIAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(-c2nnco2)cc1 40059724 IQRQAIXJDRNRBA-UHFFFAOYSA-N 371.824 4.496 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)NC2CC2)c1 40069356 WNQYVBUDDZQIRP-LBPRGKRZSA-N 373.840 4.030 0 40 FIAB Cc1ccc2[nH]c3c(c2c1)CCN[C@@]31C(=O)N(CCC(C)C)c2ccccc21 20064215 KPZXMRQFCOQRNO-XMMPIXPASA-N 373.500 4.258 0 40 FIAB biogenic C[C@H]1CN(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)C[C@H](C)O1 20386136 OJLRJNGOQDIRQI-GJZGRUSLSA-N 355.869 4.264 0 40 FIAB Cc1cc(C(=O)CCC(=O)OCc2nc(-c3ccccc3)no2)c(C)s1 21328769 ARBUKFFGZXMVLM-UHFFFAOYSA-N 370.430 4.121 0 40 FIAB CCc1sc(C(=O)N(Cc2cccc(OC)c2)C[C@H]2CCCO2)cc1C 60102137 GFZWNWJYLFUSBD-GOSISDBHSA-N 373.518 4.449 0 40 FIAB CC(=O)Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC(C)=O 1599523 BSQIHSVURCMPFJ-UHFFFAOYSA-N 353.201 4.435 0 40 FIAB O=C(Nc1nc(-c2c(F)cccc2F)co1)c1cccc(OC(F)F)c1 79096450 FMMYSYHYSPEMHB-UHFFFAOYSA-N 366.270 4.474 0 40 FIAB Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1C 4164383 ZBWKEBXHQPHRIQ-OHFALNGGSA-N 370.474 4.112 0 40 FIAB CC1=C(c2nc(-c3ccc(C)cc3)no2)[C@H](c2ccsc2)NC(=S)N1 4483829 IKHMHZNMCGGLHM-HNNXBMFYSA-N 368.487 4.057 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1C 21800642 QAJLKWLXDGUOIY-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)cc1C 21806658 OBRGKBXPTDBZMB-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB CCN(CC)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1 6949748 NLESUBXCKDWHHF-UHFFFAOYSA-N 351.244 4.136 0 40 FIAB COc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc(OC)c1OC 10041224 ZRWKLBFSYGQJNQ-CQSZACIVSA-N 369.461 4.082 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)Cc2ccccc2)n1 8327139 PFQDOGFPYGREIO-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB COc1cc(OC)cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 8391005 ZILGABGGTZGKRF-LBPRGKRZSA-N 356.447 4.147 0 40 FIAB COc1cc(NC(=O)c2oc3c(c2C)C(=O)CCC3)c(OC)cc1Cl 41614168 OLEYOQVGLRUKKX-UHFFFAOYSA-N 363.797 4.030 0 40 FIAB CC[C@H](C)[C@H](C(=O)OCc1nc(-c2cccnc2)no1)c1ccccc1 22130799 XMGUEJZGMZBUAL-KSSFIOAISA-N 351.406 4.005 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc([C@H]2CCCO2)s1 646731 GIRJEBVXUOYAJO-SNVBAGLBSA-N 359.238 4.340 0 40 FIAB COc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 804882 DTNHJYFSAGTNAM-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB O=C(COc1ccccc1Cl)Nc1ccc(N2CCCCC2)c(F)c1 21576434 BNJHHBQMQJVWNF-UHFFFAOYSA-N 362.832 4.487 0 40 FIAB O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccccc1Cl 3073189 JFDHNWHDVIPMKR-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1C 947920 PJIVEXVNESZZIM-UHFFFAOYSA-N 372.368 4.241 0 40 FIAB CCc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 959169 VDDDBMLBEGLCOU-UHFFFAOYSA-N 373.202 4.337 0 40 FIAB Cc1ccc2cc(COC(=O)c3ccc(NC(N)=O)cc3)c(Cl)nc2c1 25042817 PWWJAUOHCHJIFE-UHFFFAOYSA-N 369.808 4.044 0 40 FIAB Cc1ccc(CN2CC=CC[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2C)cc1 57776461 UYOIVBFPBGEUNS-GCJKJVERSA-N 366.480 4.217 0 40 FIAB N=C1N=C(c2ccccc2)/C(=N/Nc2cccc(Br)c2)S1 111910575 WEHJHBJMXNMEEL-QSOMOFNKSA-N 359.252 4.345 0 40 FIAB COc1ccc(Nc2nnc(SCc3cn4ccccc4n3)s2)cc1 12659242 AAILXQNJFVJPCE-UHFFFAOYSA-N 369.475 4.230 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1nc2ccccc2[nH]1 8764773 JYNUPVQOPSAPEU-FQEVSTJZSA-N 358.445 4.341 0 40 FIAB biogenic Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)c1C 27580616 IZYDVFJUUWJYMY-SFHVURJKSA-N 372.534 4.087 0 40 FIAB CCCCCC(=O)N[C@@H](CCCC)C(=O)Nc1cccc(N2CCCC2)c1 58191856 YXLVTYOCAZMUIC-FQEVSTJZSA-N 373.541 4.481 0 40 FIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(Br)o1 28247558 PLPXBOWBEGAYGM-UHFFFAOYSA-N 366.602 4.134 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 20104841 XWQAXTJOTZLHSS-KRWDZBQOSA-N 368.477 4.158 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CCNC(=O)c2ccco2)cc1 12786274 AXNVMQGMZOKLEK-UHFFFAOYSA-N 364.401 4.139 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OC[C@@H]1CCCO1 12792753 NQSLWQNSCLHPNS-AWEZNQCLSA-N 361.825 4.159 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 12796946 ZENHGPMZFMAJIY-LBPRGKRZSA-N 368.355 4.423 0 40 FIAB Cn1ccc2cc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)ccc21 36370102 QYQQLAQWVPRQRZ-UHFFFAOYSA-N 351.837 4.286 0 40 FIAB biogenic O=C(/C=C/c1cc(Br)ccc1F)N1CCc2sccc2C1 10922772 SASBMXNSUVMRSC-DAFODLJHSA-N 366.255 4.248 0 40 FIAB O=C(Cc1noc2ccccc12)Nc1ccc2c(c1)OC1(CCCC1)O2 8429515 KNMXWEWAOWPBDM-UHFFFAOYSA-N 350.374 4.051 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2)cc1 12910676 UJNDJOLDELECBW-UWJYYQICSA-N 352.478 4.100 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2F)cc1C 12905733 HQZSFKHUPYZTFX-UHFFFAOYSA-N 365.202 4.107 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1Cl 64389584 GRDUQAQVNLCOFN-UHFFFAOYSA-N 372.852 4.105 0 40 FIAB Cc1csc(NC(=O)CCn2ccc3cc(Br)ccc32)n1 13735141 CEHIRCRGMDOTOC-UHFFFAOYSA-N 364.268 4.198 0 40 FIAB C[S@](=O)c1ccccc1COC(=O)Nc1cc(Cl)cc(Cl)c1 5377789 AOEZYWUARFREET-JOCHJYFZSA-N 358.246 4.480 0 40 FIAB Cc1ccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 6430747 CRXDWBIORFDGPA-OAHLLOKOSA-N 355.459 4.069 0 40 FIAB O=C(COC(=O)c1ccc(CO)cc1)c1ccc(C2CCCCC2)cc1 6472229 YONRLZZQWLSRFS-UHFFFAOYSA-N 352.430 4.266 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCc1cccc(OC)c1 20041354 DYNHRSPJXMFRBZ-GOSISDBHSA-N 361.869 4.255 0 40 FIAB O=C(c1cccs1)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5478029 WYSKVKOLVZYRPG-XKGZKEIXSA-N 359.466 4.396 0 40 FIAB COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c(OC)cc1Cl 14381566 PIQIDBHVWXSVHW-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB CC(C)(C)c1ccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 6623421 CUWJZSYAPPEYDO-YWZLYKJASA-N 363.523 4.121 0 40 FIAB CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)NC3CC3)s2)cc1 6784831 QTFRCTXHWHNDRL-NSHDSACASA-N 362.524 4.164 0 40 FIAB CCN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)C1=CCCC1 6820638 GEGVRNODZRYIOO-UHFFFAOYSA-N 368.506 4.153 0 40 FIAB CC(=O)N(c1nc(CSc2ncccn2)cs1)c1ccccc1F 6910651 ZPPRULIYRDZDIL-UHFFFAOYSA-N 360.439 4.049 0 40 FIAB Cc1ccc(-n2c(SCc3cc(C)on3)nnc2N2CCCCC2)cc1 7104856 DUOVEFPOOBNFFI-UHFFFAOYSA-N 369.494 4.155 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N2CCC(C)CC2)o1 15860321 IKSKEGOPXQCTIU-SFHVURJKSA-N 360.885 4.444 0 40 FIAB Cc1cc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c(C)n1C1CC1 7575517 MMLRZXPYTJRAKO-UHFFFAOYSA-N 361.825 4.317 0 40 FIAB CC1CCN(C(=O)[C@H](C)n2c(Cc3ccccc3)nc3ccccc32)CC1 16047031 TYBKJOILTROACK-SFHVURJKSA-N 361.489 4.447 0 40 FIAB C[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 8128523 ILZQFIRBSPZDLY-GFCCVEGCSA-N 358.290 4.118 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)C1(c2ccccc2)CCOCC1 71287299 RIQGARAQSWGTDQ-UHFFFAOYSA-N 356.491 4.099 0 40 FIAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8279472 PBHBHQOHXPUGBT-FQEVSTJZSA-N 363.457 4.314 0 40 FIAB CO[C@@H](CNCc1c(C)nn(Cc2ccccc2)c1Cl)c1ccccc1 70015738 BITOLRRNXCVENX-FQEVSTJZSA-N 369.896 4.371 0 40 FIAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 19817367 CWARCWGWSFEGTE-AWEZNQCLSA-N 360.392 4.109 0 40 FIAB CC(=O)Nc1ccc(SC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 71795736 BEOSNDHEJPNLET-OAHLLOKOSA-N 364.511 4.384 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1C 9741520 TWVDIEQRGXVUFK-HNNXBMFYSA-N 367.474 4.421 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 72277103 HWPGKWAXFWHPLQ-NRFANRHFSA-N 360.461 4.340 0 40 FIAB FC(F)Oc1ccc2ccccc2c1CNCc1nnc2n1CCCCC2 95377575 DXGSJNOZDNAZCS-UHFFFAOYSA-N 372.419 4.049 0 40 FIAB Cc1coc(-c2cc(NC(=O)C[C@H](O)c3cccc(F)c3)ccc2C)n1 89326101 VGGPDHAJDQAWLS-SFHVURJKSA-N 354.381 4.160 0 40 FIAB COc1ccccc1Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O 9939269 MSHAXQQOHFMTGM-AWEZNQCLSA-N 363.392 4.281 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccccc2Br)n1 89913729 LXYUNUFJSYSSSH-VIFPVBQESA-N 368.231 4.085 0 40 FIAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2cccc(Cl)c2)o1 20140211 MYCTXOBYXYQXFI-UHFFFAOYSA-N 357.749 4.256 0 40 FIAB COc1ccc(Oc2ccc(C(=O)c3ccc4c(c3)OCCO4)cc2)cc1 408620815 MKIXGGKUIRWPJN-UHFFFAOYSA-N 362.381 4.490 0 40 FIAB Cc1csc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 70635380 RLYKJLJSUOWWKB-AWEZNQCLSA-N 355.381 4.289 0 40 FIAB O=C(c1cc(-c2ccc(F)c(F)c2)on1)N1CCSc2ccccc21 41155169 WGSRCDWLUGGTHG-UHFFFAOYSA-N 358.369 4.372 0 40 FIAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(CC)s3)no2)cc1 46086143 NSMRZOCQPYGBHU-UHFFFAOYSA-N 372.450 4.187 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225694990 HHKYWICSJIKDOZ-SCLBCKFNSA-N 357.878 4.288 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 225804141 JJJSPYGHIVENIO-OAQYLSRUSA-N 367.489 4.017 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1 225920078 LHVIZMOFNHZCJW-UHFFFAOYSA-N 373.424 4.303 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N[C@H](C)CC 225311047 FIQSCTXLBZMDQP-CHWSQXEVSA-N 373.324 4.425 0 40 FIAB Cc1cccc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)c1 95116375 UNJDFDZTXJGBGN-UHFFFAOYSA-N 354.435 4.112 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)c1cc(O)cc(Br)c1 700813111 UBDCUVAIXIEWCK-UHFFFAOYSA-N 354.631 4.080 0 40 FIAB CC[C@@H](C)NC[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5875300 DSOCMSSZHZEROG-PHRRHICISA-N 357.538 4.282 0 40 FIAB CCn1ncc(C(=O)N2CCCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)c1C 12221300 HMPZLVAJFKQTJG-IBGZPJMESA-N 365.481 4.072 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(OC)cc1Cl 13710011 NHGFRHVHDVUBNB-JTQLQIEISA-N 370.232 4.417 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCC2)cc1 15831532 MEFOAIPIBIKBGV-FQEVSTJZSA-N 372.553 4.230 0 40 FIAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 2188430 FVNDZHBOQAXKLV-OGXIQJDLSA-N 355.743 4.060 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(-c2nc3cccnc3s2)c1 2961409 IPDZLYJBCZPMQP-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB CCCn1ccc2c(OCC(=O)c3ccc(Cl)cc3)cccc2c1=O 4584202 ONBBMAQRVONPIQ-UHFFFAOYSA-N 355.821 4.327 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(C)cc1 4854543 KSXGLYCUFZUDRA-OAQYLSRUSA-N 361.445 4.442 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c(C)c1 5151810 XSLOTNYFFIIFLP-UHFFFAOYSA-N 372.515 4.214 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1nc2ccccc2s1 6315794 OHVDLCBYNLBJAF-UHFFFAOYSA-N 366.471 4.417 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1ccsc1)N1CCCC1 8862611 VHJXJOAKQWPFHB-NRFANRHFSA-N 364.514 4.397 0 40 FIAB Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccno3)nc2c1C 10254145 JCMMOBOPPHJYEP-UHFFFAOYSA-N 364.430 4.143 0 40 FIAB CCOc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(C)n1 12225411 CFNJRNJHMUEKQT-UHFFFAOYSA-N 366.396 4.319 0 40 FIAB O=C1CCc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc2N1 22506955 JFJFLTTUJFHXSR-UHFFFAOYSA-N 371.440 4.482 0 40 FIAB FC(F)(F)c1ccc(N2CCC(COc3ccncc3Cl)CC2)cn1 2298054291 ODSPZTXIDWOADC-UHFFFAOYSA-N 371.790 4.444 0 40 FIAB Clc1ccc(SCc2nc3ncccn3c2Br)cc1 1239999 GZQWYCDIAJTSSK-UHFFFAOYSA-N 354.660 4.438 0 40 FIAB Cc1ccc(Cn2c(=N)n(CCOc3ccccc3)c3ccccc32)cc1 20058073 QELUXIAOCKGQDZ-UHFFFAOYSA-N 357.457 4.358 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 876269 LXTUEDDAAQKYER-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1cccc(C)c1 917259 FWOMMRRPZGFWNO-HNNXBMFYSA-N 366.490 4.393 0 40 FIAB CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccccc3)cc12 944067 XXIXMPCZMSICBV-UHFFFAOYSA-N 363.822 4.398 0 40 FIAB COC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 1006555 WKLUKVCHKHZKKA-UHFFFAOYSA-N 355.173 4.008 0 40 FIAB Cc1ccccc1NC(=O)N1CCC(n2cnc3cc(F)ccc32)CC1 1371022 XPTXBPALDCVUNZ-UHFFFAOYSA-N 352.413 4.353 0 40 FIAB O=c1c2ccccc2nc2n1[C@H](CSc1cccc(Cl)c1)CS2 1405467 NVUKWEXECVHPEI-GFCCVEGCSA-N 360.891 4.489 0 40 FIAB Cc1cc(N)c2cc(OCCOc3ccc4nc(C)cc(N)c4c3)ccc2n1 1848333 IJWLPZOWYJMRPO-UHFFFAOYSA-N 374.444 4.022 0 40 FIAB in-vitro CSc1ccc(CN2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)cc1 2734684 CWOWIRJPMBWQPC-HXUWFJFHSA-N 368.546 4.279 0 40 FIAB Cc1ccc(C)c(NC(=S)N(CCN(C)C)[C@H](C)c2cccnc2)c1 2934096 OWAZAURZBHZMBQ-QGZVFWFLSA-N 356.539 4.020 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)c1 3280742 SYCZANHUVXMFMP-OAHLLOKOSA-N 370.503 4.209 0 40 FIAB CCN(Cc1ccccc1)c1ccc(/C=C2/SC(=S)NC2=O)cc1 3392691 XXMNILPTDVDNBJ-SFQUDFHCSA-N 354.500 4.202 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)o2)c(C)c1 3475167 MYXCFVNFCPQAMI-UHFFFAOYSA-N 359.476 4.454 0 40 FIAB CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)c(C)c2)cc1 3623686 HZBPDBPQYSPRDM-LJQANCHMSA-N 355.434 4.038 0 40 FIAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)C12CC3CC(CC(C3)C1)C2 4313351 UWXFCKJAKDECLA-UHFFFAOYSA-N 373.802 4.306 0 40 FIAB COC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCC2 4656890 PYOCYUDJQAEHKU-UHFFFAOYSA-N 350.827 4.321 0 40 FIAB Cc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)N(C(=O)C3CC3)c3ncnn32)cc1 4732709 WZPWWKSFDDGUIE-RTWAWAEBSA-N 372.472 4.372 0 40 FIAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCCCC1 5185726 HHFJPBFFGVQSLC-UHFFFAOYSA-N 363.461 4.018 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1cccs1 5615183 JEBFSXVVSKTBOW-UHFFFAOYSA-N 351.453 4.283 0 40 FIAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 6376902 KGRYLUOZCZBAMI-MRXNPFEDSA-N 358.482 4.127 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 6631147 JIKDWMPNSXMRFX-UHFFFAOYSA-N 367.518 4.358 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 6747693 WGORZFQZVDWGQX-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OCC)cc1 6767598 XMJNEBRIOYOIRZ-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSCc1ccc(Cl)cc1 7127047 ASXCQDPUEYXCAP-ZDUSSCGKSA-N 374.893 4.337 0 40 FIAB Cc1cc(C)c(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c(C)c1 7141397 ZIHPZGQIXMNZNL-MRXNPFEDSA-N 359.857 4.003 0 40 FIAB O=C(NC[C@@H]1CCCO1)c1ccccc1Nc1cccc(C(F)(F)F)c1 7985816 JTPYAGFABSZWII-HNNXBMFYSA-N 364.367 4.358 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 7989301 MDGXMDWISKEIDH-GFCCVEGCSA-N 355.388 4.258 0 40 FIAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8137130 BNHCTTLHSQWGAC-UHFFFAOYSA-N 373.378 4.149 0 40 FIAB Cc1ccc(Oc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1 8185052 VKUHALXPWRJFHP-UHFFFAOYSA-N 358.419 4.193 0 40 FIAB CCc1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 8269183 VAGGHJSJBGHBPR-UHFFFAOYSA-N 368.521 4.300 0 40 FIAB O=C(Nc1cccc2cccnc12)c1cc(Cl)c2c(c1)OCCCO2 8942970 CXEBNPKAKHPLBF-UHFFFAOYSA-N 354.793 4.302 0 40 FIAB Cc1c(Cl)cccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1C 9320168 ORUUZDDUTZWQRI-UHFFFAOYSA-N 369.787 4.394 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1cccc(F)c1 9364562 LEQOKFQKCNRFDS-MRXNPFEDSA-N 358.804 4.124 0 40 FIAB C[C@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1 9364782 IKWBDNBVHLHPRL-JTQLQIEISA-N 365.911 4.388 0 40 FIAB COc1ccc(NC2(c3nnnn3-c3ccccc3C)CCCCC2)cc1 9434772 MZYGTZMUVOHQCA-UHFFFAOYSA-N 363.465 4.251 0 40 FIAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 9513763 WABSNUJPWGRDLQ-VIFPVBQESA-N 370.783 4.075 0 40 FIAB COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cccc(O)c3)C[C@H]21 10216053 BIVJBBJTYUCXAR-KNQAVFIVSA-N 373.412 4.038 0 40 FIAB O=C(NCc1ccc(F)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11248116 ZOTPTFBGZXRHMB-UHFFFAOYSA-N 373.387 4.473 0 40 FIAB CCn1c([C@@H](CC(C)C)NC(=O)Cc2cccc(F)c2)nc2cccnc21 12114150 YQVQMNIQBAGZQR-GOSISDBHSA-N 368.456 4.036 0 40 FIAB Fc1cc(F)cc(Cc2nnc3sc(-c4cc(F)ccc4F)nn23)c1 12406787 RMHJAVARWWHQCJ-UHFFFAOYSA-N 364.327 4.000 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(F)cc3F)c12 12778198 OALMJDFKHVSYMD-VIFPVBQESA-N 357.360 4.178 0 40 FIAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccccc1F 12981734 ZINFFEWXKIRKAE-IBGZPJMESA-N 358.413 4.344 0 40 FIAB COc1ccccc1NC(=O)c1ccc(OCc2csc(C)n2)cc1 12996185 JPSYAKFOASPXFJ-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(OC)cc2)c1C 13667502 CNRVELBMQHKGQR-UHFFFAOYSA-N 373.474 4.052 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)COc1cc(C)cc(C)c1C 13684569 BWQGSRDCYPXBJZ-UHFFFAOYSA-N 368.477 4.159 0 40 FIAB C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccco1 14140122 XKWNMEISHNZSFI-AWEZNQCLSA-N 359.385 4.488 0 40 FIAB COc1c(O)cc(O)c2c(=O)c(-c3ccc(OCC=C(C)C)cc3)coc12 14759295 TVYVWMVAJHMVLX-UHFFFAOYSA-N 368.385 4.225 0 40 FIAB biogenic,in-vitro Cc1nc(/C=C/C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cs1 14853855 HIHJWAYATAHEEP-CPSHHHPTSA-N 372.490 4.140 0 40 FIAB CC[C@@H](O)c1nc2ccccc2n1CCCCOc1cccc(OC)c1 15831604 DCWKGYBVRAHOHT-HXUWFJFHSA-N 354.450 4.348 0 40 FIAB Clc1cc(CSc2nc(-c3ccccc3)n[nH]2)cc2c1OCCO2 16050048 IPTYOIWIYDWAFP-UHFFFAOYSA-N 359.838 4.189 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(C)c3)C2=O)cc1 16312529 MROMHJGVFNFUID-WOJGMQOQSA-N 368.458 4.418 0 40 FIAB O=C(O)c1ccc(CNCc2cccc(OCc3ccccc3F)c2)cc1 16450073 FPWKTFHVHHEFEO-UHFFFAOYSA-N 365.404 4.393 0 40 FIAB O=C(OCCOc1ccc(F)cc1)c1cccnc1Oc1ccccc1 16695200 JDMFASDYZUOJTO-UHFFFAOYSA-N 353.349 4.249 0 40 FIAB Cc1ccc(-n2nnc(C(=O)OCc3ccccc3Cl)c2C)cc1F 16842437 YZSUIGKALWHDEB-UHFFFAOYSA-N 359.788 4.034 0 40 FIAB CCn1c(C)cc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1C 17887508 QIHXTCIXTJKDSY-UHFFFAOYSA-N 365.429 4.077 0 40 FIAB CC(C)n1cc(CN2CCC(CC(=O)N3CCCC3)CC2)c2ccccc21 19748513 QRUIQJNCGFRZHT-UHFFFAOYSA-N 367.537 4.447 0 40 FIAB C[C@H]1CCN(C(=O)c2cncc(Br)c2)c2ccccc2S1 22256059 NKBTZEDDRHEWBE-NSHDSACASA-N 363.280 4.375 0 40 FIAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@H]1Cc2ccccc2O1 23080142 JMXZZWDZUOAACY-OAHLLOKOSA-N 371.742 4.223 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1ccc(F)cc1Cl 24199638 NNYPCTSADKFIKD-IBGZPJMESA-N 373.811 4.487 0 40 FIAB CCN(Cc1ccc(OC)c(F)c1)CN1C(=O)c2cccc3cccc1c23 24583914 ZRPWGDRBRATHJX-UHFFFAOYSA-N 364.420 4.427 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2)cc1 24617684 SGAZCBBXFKUIEJ-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1ccccc1COc1ccccc1 28029215 HZDULIPDDVGZLM-UHFFFAOYSA-N 374.484 4.257 0 40 FIAB Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1 28219853 ZSEZXKMMGCZCIF-UHFFFAOYSA-N 355.463 4.105 0 40 FIAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1 28328196 FIEYQYABBNZTKT-XZHRJIJLSA-N 355.381 4.357 0 40 FIAB CC(C)[C@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 28508126 UDDVHLATXGZWII-IBGZPJMESA-N 352.478 4.210 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(COc3ccccc3)n2)cc1F 30447057 WEVZJRMWWOENLP-UHFFFAOYSA-N 370.449 4.207 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2N2CCCCCC2)c1C 31097731 DKRPCINCGRSCRZ-UHFFFAOYSA-N 369.465 4.051 0 40 FIAB CC(C)Cc1cc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)[nH]n1 31810066 XKRNNQHMWSXEJP-UHFFFAOYSA-N 372.885 4.019 0 40 FIAB Cc1nc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc(C)c1C 34868523 DQZHLEJINWCRAV-SFHVURJKSA-N 355.507 4.248 0 40 FIAB COc1ccccc1C(=O)NCc1cccc(COCc2ccccc2)c1 36393891 JRZSNQFSMJMIKH-UHFFFAOYSA-N 361.441 4.342 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3cccs3)c12 36613940 KEGPTYLOIRIPJX-UHFFFAOYSA-N 367.405 4.329 0 40 FIAB CCOc1cccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 38772966 XURMFWGBWYVVFY-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2cn3cc(Cl)ccc3n2)cc1OC 40067055 RYYYGSYYXWFZKG-QGZVFWFLSA-N 371.868 4.342 0 40 FIAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)c1nnnn1-c1ccccc1 40127841 SOFGGMACFWDJHE-LBPRGKRZSA-N 367.409 4.310 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)NCc2ccccc2C)o1 40130713 VQMPZYSGHDELHS-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB Cc1cccc(N2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)c1C 57547070 BLIQMJUDTOBNCV-UHFFFAOYSA-N 364.468 4.155 0 40 FIAB CC(C)N1CC[C@H](CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)C1 58140318 YOHOPAYBOFSSOZ-WIYYLYMNSA-N 368.546 4.367 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)NC(=O)OC(C)(C)C)sc1C 58154323 HPRZFBWHMFYTIF-HIFRSBDPSA-N 366.527 4.273 0 40 FIAB CC(C)c1nc(CNCc2cccc(C(=O)NCc3ccco3)c2)cs1 58216907 JHWCVUOGCNPIMB-UHFFFAOYSA-N 369.490 4.079 0 40 FIAB CC(=O)Nc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1F 58355606 YYLABLRHWGMTKM-MPKHZURXSA-N 358.457 4.119 0 40 FIAB Cc1nnc(CSc2nc3ccccc3n2CCc2ccccc2)o1 58370588 DWWQIHKYKVUEIE-UHFFFAOYSA-N 350.447 4.263 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCc1c(C)noc1Cl 58427621 DAWPJKIIYJATQD-AWEZNQCLSA-N 350.846 4.300 0 40 FIAB CC(C)(C)C(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 60208322 PXGKYYHFKMXPDX-GOSISDBHSA-N 364.474 4.415 0 40 FIAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cc(-c2ccco2)[nH]n1 64089991 ZDAQPXVPKQCVLO-UHFFFAOYSA-N 350.403 4.409 0 40 FIAB C[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccc2ccccc2c1 70729468 KCQVUJFVOROZGB-OAHLLOKOSA-N 369.424 4.204 0 40 FIAB Cc1csc(NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)n1 71279248 BTIGPRPQTDOHKE-UHFFFAOYSA-N 363.486 4.111 0 40 FIAB COc1ccc(-c2nc(CC(=O)Nc3cccc4[nH]ccc34)cs2)cc1 71287639 YRUMGMCZLPAQBJ-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN1c1nccs1 71843916 PQBUBMRVUIDCBC-KRWDZBQOSA-N 357.479 4.072 0 40 FIAB CC(C)c1ccc(C(=O)N2CCN(c3c(N)cccc3Cl)CC2)cc1 72230108 PXIKHVPJDDPOMD-UHFFFAOYSA-N 357.885 4.008 0 40 FIAB CCc1oc2ccccc2c1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 91949334 DTKDMABNYUEURE-KRWDZBQOSA-N 368.521 4.466 0 40 FIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(Oc2ccncc2)c1 95396076 CKCAQJKSSKNGEJ-UHFFFAOYSA-N 358.401 4.022 0 40 FIAB Cc1cccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)c1 96075039 OPDPJNDPSYVYTF-GHTZIAJQSA-N 367.424 4.017 0 40 FIAB O=C(Cc1cccs1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119676 UYRKTXFJELOJIV-UHFFFAOYSA-N 365.414 4.163 0 40 FIAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)c1 102879061 YKSSBHDJIUVGOV-CKEIUWERSA-N 370.522 4.181 0 40 FIAB CC(C)(C)c1noc(CN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 114200889 AOHMZWRIYNBOSN-INIZCTEOSA-N 365.481 4.137 0 40 FIAB O=C(C1CCN(Cc2ccc(Cl)cc2F)CC1)N1CCCCCC1 188944381 KKRCTTOALZUDFG-UHFFFAOYSA-N 352.881 4.094 0 40 FIAB CC(=O)Oc1ccc([C@@H](c2ccccn2)c2ccccc2OC(C)=O)cc1 206172936 AHHCJZMFNZPHLD-JOCHJYFZSA-N 361.397 4.112 0 40 FIAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC1CCCCCC1 224559890 VSVSXGWYDJAKSZ-HKWRFOASSA-N 366.461 4.198 0 40 FIAB Cc1cc(O[C@H](Cc2cccc(Br)c2)C(=O)O)ccc1Cl 225063464 WGPQYEBDIDPJDP-OAHLLOKOSA-N 369.642 4.486 0 40 FIAB COc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 225156513 XOPGUAIZWMLORL-QGZVFWFLSA-N 371.477 4.090 0 40 FIAB Cc1cc(C)c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 225651616 UOFUUBDOZQGDAX-UHFFFAOYSA-N 350.462 4.490 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2c(C)cc(N)cc2Br)cc1 226763545 LVRFBXPWAJSZLN-VMPITWQZSA-N 361.239 4.000 0 40 FIAB CCCNC(=O)C1(Cc2cccc(-c3ccc(OC)cc3)c2)CCOCC1 257198317 YVMQWVZZFYBUOB-UHFFFAOYSA-N 367.489 4.228 0 40 FIAB CCn1c2c(s/c1=N\C(=O)c1ccccc1OC)CCc1ccccc1-2 408560105 BYRANJVNRRIXQX-DQRAZIAOSA-N 364.470 4.085 0 40 FIAB c1cc(COCC[C@@H]2CCOC23CCN(CC2CCCC2)CC3)ccn1 585105515 YSSVDNACMYAPII-OAQYLSRUSA-N 358.526 4.050 0 40 FIAB Cc1nc(CC(=O)N2CCCCCCCc3ccccc3OCC2)cs1 643585077 ZKRDTUGJFXBAGC-UHFFFAOYSA-N 372.534 4.408 0 40 FIAB COc1ccc(CC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1OC 629921 FEXMVWVWDBMHKJ-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 756720 ATKNJWQAZLDMNH-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1Cc1ccc(F)cc1 1010978 FGYYGUJHIZVPLJ-NVNXTCNLSA-N 363.797 4.421 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)O)cc1 1088593 AOVBKLOZAUDWCY-UZLBHIALSA-N 369.461 4.220 0 40 FIAB CC(C)OC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236779 XARHDIQKCJUSBL-UHFFFAOYSA-N 372.804 4.444 0 40 FIAB biogenic COc1ccccc1C(=O)N(C)c1ccc(Cl)c(C(=O)OC(C)C)c1 1620031 WXZVGFQRERCLOG-UHFFFAOYSA-N 361.825 4.190 0 40 FIAB CCOC(=O)c1[nH]c(Cc2[nH]c(C(=O)OCC)c(CC)c2C)c(C)c1CC 1721254 JCTMBGKZYBQGPL-UHFFFAOYSA-N 374.481 4.029 0 40 FIAB CCCCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12 2172745 FLZYMHYZQNQQFC-UHFFFAOYSA-N 350.256 4.070 0 40 FIAB Cc1ccc(C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 3270763 GGGGCKYQKPIAIM-UHFFFAOYSA-N 365.454 4.339 0 40 FIAB O=S(=O)(NCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl 3300267 CWIHLGNFSHAJFX-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccc(C(C)(C)C)cc1 3647789 PEBPUYLQHLNNMS-UHFFFAOYSA-N 351.446 4.291 0 40 FIAB CCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCCCC2)cc1 3895768 LIOPFCZYXTYITA-IBGZPJMESA-N 360.498 4.135 0 40 FIAB COc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C)CSC3)cc1 4077170 NMQSXRRMHFJCLM-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3coc4ccccc4c3=O)n2)o1 4194620 IFBUXCFVDCPDHR-UHFFFAOYSA-N 352.371 4.070 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C2CCCCC2)cc1 4585380 MBFUIHYBLBKTCU-UHFFFAOYSA-N 361.445 4.213 0 40 FIAB O=C(Nc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 4854404 XIUFBNCKTKHAFN-IBGZPJMESA-N 353.372 4.403 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)CC[C@H](c2ccccc2)[C@@H]1C(=O)O 5326113 IEYXJQVIWCATHW-YSTOQKLRSA-N 352.430 4.228 0 40 FIAB Cc1c(C(=O)N2CCc3ccccc32)[nH]c2ccc(Br)cc12 5451234 LKRWUAKIDSADGG-UHFFFAOYSA-N 355.235 4.442 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1Cc1ccccc1 6840023 GOUWOOBXDNVTIB-UHFFFAOYSA-N 359.425 4.230 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 7653158 SFLJBEIUFUHVBQ-OLZOCXBDSA-N 360.454 4.142 0 40 FIAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)c1 7885040 HGIZYCBUAVKLOH-OAQYLSRUSA-N 374.396 4.195 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)Nc2cccc(Br)c2)cc1 7918067 GCNBEUWJWGDWQT-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3csc(-c4ccsc4)n3)cnc21 8329014 LOCHXZBIGAXWJQ-UHFFFAOYSA-N 369.475 4.450 0 40 FIAB COC(=O)c1cccc(NC(=O)CSCc2ccccc2Cl)c1C 8330579 MMHKQFBZTFBCEM-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)cc1Cl 8514474 AAKYUMPRJLJPBR-OAHLLOKOSA-N 353.249 4.153 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H](C(=O)O)C1 8699254 YAFUFMBNEFTUBN-MNOVXSKESA-N 360.237 4.029 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(F)cc2)c[nH]1 8746240 CHOBQVNXTIJHAU-LBPRGKRZSA-N 371.437 4.344 0 40 FIAB CCOc1ccccc1C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 10639343 ZUJOWYDDFOXEKI-CYBMUJFWSA-N 373.403 4.364 0 40 FIAB O=C1O[C@H](C(=O)Nc2ccccc2C(F)(F)F)Cc2ccc(Cl)cc21 11666754 LZEAXJIXOQQYTB-AWEZNQCLSA-N 369.726 4.079 0 40 FIAB CCOC(=O)c1cc(CC)nc2c1c(C1CC1)nn2-c1ccc(OC)cc1 12399128 RSIARRZNZZKNCM-UHFFFAOYSA-N 365.433 4.046 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccncc2)nc2ccccc12 12510379 DKVIBLAUVJJODE-UHFFFAOYSA-N 369.380 4.278 0 40 FIAB CSc1nnc(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)s1 12552709 PKJATRKYVQDGBX-SECBINFHSA-N 350.494 4.472 0 40 FIAB COc1ccc(NC(=O)[C@H](C)N[C@H](c2ccccc2)C2CC2)cc1Cl 12677303 NYDXVNLXYTXEJP-ORAYPTAESA-N 358.869 4.417 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccccc3OC(F)F)c12 12769806 GKTVVGDSTHLZOL-UHFFFAOYSA-N 359.332 4.262 0 40 FIAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(F)c1 12784188 PYHZQXMTVQYGBL-LJQANCHMSA-N 358.413 4.344 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2cc(OC)c(OC)cc2OC)cc1 12913205 UORHVXJXNSTJFO-AYJWMTRPSA-N 369.461 4.165 0 40 FIAB O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc2ccccc2c1 13670428 OEYBCCSWWLWQQM-UHFFFAOYSA-N 359.878 4.404 0 40 FIAB Cc1cccc(C(=O)NC[C@H](C)c2ccccc2)c1NC(=O)c1ccco1 14241064 MPPLTJXIUXWSQA-INIZCTEOSA-N 362.429 4.374 0 40 FIAB O=C(CCC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 15563576 UPTXZJPZHMCYTM-UHFFFAOYSA-N 358.235 4.001 0 40 FIAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1 16024085 ALORAJDSJLSZLI-QFBILLFUSA-N 358.441 4.070 0 40 FIAB O=C(/C=C/c1ccccc1)OCCCCOC(=O)/C=C/c1ccccc1 17381166 OWHNFZZYMMANGT-WXUKJITCSA-N 350.414 4.280 0 40 FIAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 17450126 OLPVWFMRRKFCOK-UHFFFAOYSA-N 369.273 4.251 0 40 FIAB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccsc4)C3)o2)s1 19217571 DNCSAMYCGJTJKB-GFCCVEGCSA-N 359.476 4.188 0 40 FIAB CN(Cc1cccc2ncccc12)C(=O)c1cc2ccccc2c(=O)s1 19586469 COQWAPCCHIOYBG-UHFFFAOYSA-N 360.438 4.082 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2cccc(Br)c2)cc1 20030216 GNCWKSQNQADVNZ-RUNBWSAHSA-N 360.251 4.348 0 40 FIAB CC[C@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccccc1 20456730 UMFQPTHXZJWJKH-KRWDZBQOSA-N 362.267 4.404 0 40 FIAB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccccc1 21254594 XFDPFJTYHLVQBR-AWEZNQCLSA-N 363.413 4.034 0 40 FIAB Cc1nc(-c2cc(C)n(CC(=O)N(C)Cc3ccccc3)c2C)cs1 22757382 CWCVWPNCODBUAT-UHFFFAOYSA-N 353.491 4.195 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 24758425 XCXJFVCCGAHJOR-MWLCHTKSSA-N 353.743 4.095 0 40 FIAB Cc1cc(C(=O)Nc2nc(C)c(-c3nccn3C(F)F)s2)c(C)o1 24927429 QUJSFDDAQPAHRI-UHFFFAOYSA-N 352.366 4.172 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2ccccc2s1 25919219 ZOLOKBYEWONVPH-CQSZACIVSA-N 362.458 4.315 0 40 FIAB O=C(OCc1nc2ccccc2o1)c1cnn(Cc2ccccc2Cl)c1 26243652 OKHUWZRIEVXNST-UHFFFAOYSA-N 367.792 4.083 0 40 FIAB O=C(OCc1nc2ccccc2s1)c1cccc(OC[C@@H]2CCCO2)c1 26364863 LVWSGZXWOBRGNR-INIZCTEOSA-N 369.442 4.211 0 40 FIAB COC(=O)c1cc(NC(=O)c2ccccc2Br)ccc1Cl 26880040 ZZQLYYKLGFZDAA-UHFFFAOYSA-N 368.614 4.141 0 40 FIAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1 28652514 RZEPRTVUQMGPHV-QKLQHJQFSA-N 368.477 4.205 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc2ccccc2c1 30397644 IOXRXTKBAHGXDZ-DNVCBOLYSA-N 368.477 4.417 0 40 FIAB O=C(Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1)c1ccncc1 31965401 BWDQSECOMLSPKK-UHFFFAOYSA-N 369.783 4.379 0 40 FIAB COc1ccc2c(ccn2CC(=O)NCc2ccc(Cl)cc2Cl)c1 32104649 KPAHANLVQITXBL-UHFFFAOYSA-N 363.244 4.273 0 40 FIAB CC(C)C[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)N1Cc2ccccc2C1=O 32124210 QOEMUEBFZAMTFO-FQEVSTJZSA-N 361.445 4.177 0 40 FIAB biogenic Cc1ccc(Cc2nnc(NC(=O)c3ccc(C(F)(F)F)cc3)o2)cc1 35588335 FHHMNHUJQVZRKJ-UHFFFAOYSA-N 361.323 4.240 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)c2sc(-c3ccc(C)o3)nc2C)on1 40154751 IDSSXKJEYYOMLC-ZDUSSCGKSA-N 357.435 4.294 0 40 FIAB CC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cc1 43652528 OFOATXCMFWJHFJ-UHFFFAOYSA-N 352.221 4.274 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)n[nH]2)cc1 44837745 WFSSEFWQHLTXLK-UHFFFAOYSA-N 356.223 4.400 0 40 FIAB Cc1ccc(CN2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 55393819 XYMSSWJCXBHDON-UHFFFAOYSA-N 361.441 4.332 0 40 FIAB Cc1ccc(NC(=O)C2CC2)cc1NCC(=O)Nc1ccccc1Cl 55849503 IHEGDBGVANSSIE-UHFFFAOYSA-N 357.841 4.048 0 40 FIAB CN(Cc1c(F)cccc1Cl)Cn1nc(-c2ccco2)oc1=S 58160835 ZDQBBYNSCCXJIT-UHFFFAOYSA-N 353.806 4.348 0 40 FIAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)CCc1cccnc1 58179768 CRKVITVAVUBTLU-FQEVSTJZSA-N 360.461 4.084 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(C)C)c2)cc1 63476074 WGXRSOIBJDJREF-UHFFFAOYSA-N 358.463 4.107 0 40 FIAB Cc1noc(COC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n1 64062706 YLYFQRLHCWVNGT-UHFFFAOYSA-N 363.348 4.089 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(-c4ccncc4)nc3c2)cc1 71283578 FLCWBUFCUJMVRY-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB CCN(CC)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72212892 NPEUNFIJYSGHRI-LJQANCHMSA-N 353.466 4.402 0 40 FIAB Cc1ccc([C@H]2OCCC[C@@H]2Nc2cc(C)nc(-c3ccccn3)n2)cc1 72307321 ULKIPKORGFDYQL-GHTZIAJQSA-N 360.461 4.488 0 40 FIAB O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358941 VCRNJKAYKOHRDF-QGZVFWFLSA-N 353.441 4.179 0 40 FIAB COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)C3CCCC3)C2)c1 72358950 AZPZBCLYVMOJAO-SFHVURJKSA-N 365.477 4.048 0 40 FIAB COc1coc(CNc2ccccc2CN(C)C2CCCCC2)cc1=O 79108065 XLEBCHAQNTZJBC-UHFFFAOYSA-N 356.466 4.025 0 40 FIAB O=S(=O)(c1ccc(N2CCC[C@@H]2c2cccs2)cc1)C(F)(F)F 84437156 ICNHGRPZPPQJAA-CYBMUJFWSA-N 361.410 4.383 0 40 FIAB CN(C)[C@H](CNCc1ccc(-n2cnc3ccccc32)cc1)c1ccco1 95956314 ZDHDHIJJNKUWCS-OAQYLSRUSA-N 360.461 4.011 0 40 FIAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)C2 96003959 SEKNSJVIKBTGTR-SFTDATJTSA-N 373.500 4.313 0 40 FIAB CSc1ccc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc1 96635211 TXOADMURRARVAS-GXDHUFHOSA-N 361.369 4.354 0 40 FIAB CN(Cc1ccccc1C(F)(F)F)[C@H](C(=O)NC1CC1)c1ccccc1 96993560 XBBZRGRVMVMUCD-SFHVURJKSA-N 362.395 4.157 0 40 FIAB Cc1cccc(C)c1OCCOC(=O)c1cc(C2CC2)nc2onc(C)c12 97134623 WQZZLYYZQLTEKV-UHFFFAOYSA-N 366.417 4.261 0 40 FIAB COc1ccc(-c2c(NC(=O)c3ccco3)oc3ccccc3c2=O)cc1 101192111 NLUYYQXPVAPOCI-UHFFFAOYSA-N 361.353 4.314 0 40 FIAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1 101275494 RAJZXJGOLZWYFA-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB O=C(O)c1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 216921859 RZMNRYYEJAMJFN-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc1 223423022 YKWMLFLMIFHXSB-LBPRGKRZSA-N 351.497 4.001 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(OC(C)C)cc2)cc1 224607389 USESFIGVVVOAOX-UHFFFAOYSA-N 363.479 4.088 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)ccc21 225107716 DCZYCOPLDGKKQU-CQSZACIVSA-N 370.474 4.106 0 40 FIAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)cn1 225701805 VSKVVRDCXUIURZ-FQEVSTJZSA-N 363.486 4.475 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(C)c(O)c(C)c4)OCC[C@@]31C2 257236866 HEBRIWYUPPGSAH-KKLOIMHHSA-N 371.521 4.418 0 40 FIAB Cc1cccnc1Nc1cncc(C2CCN(CCc3ccccc3)CC2)n1 257283593 OYXSKLFGNZGAMW-UHFFFAOYSA-N 373.504 4.346 0 40 FIAB COc1ccccc1C1=N/C(=C/c2ccncc2)C(=O)N1c1ccc(F)cc1 408846791 ZAMRBUSKUIXRHK-XMHGGMMESA-N 373.387 4.064 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccc2[nH]ccc2c1)N1C(=O)C[C@@H]1c1ccccc1 575442814 CHVJFUMDBXCWHP-CTNGQTDRSA-N 361.445 4.105 0 40 FIAB O=C(N[C@@H]1CCCc2c(F)cccc21)N1CCC([C@@H]2CCCCO2)CC1 664975185 SIVLAMPYXYPDOP-UXHICEINSA-N 360.473 4.194 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2C)cc1C 1615620923 RAADJSWYUAEEGZ-UHFFFAOYSA-N 368.296 4.484 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)cc2)ns1)c1ccccc1 11914188 JVXDRGWXVWEZPS-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB Cc1nc(SCC(=O)N(C)C2CCCCC2)c2c(C)c(C)sc2n1 2616909 APRMWOIUCUZCKA-UHFFFAOYSA-N 363.552 4.500 0 40 FIAB COc1ccc2nc(SCC(=O)OCc3ccccc3)c(C)cc2c1 875769 AXDVYWFAZIHXJA-UHFFFAOYSA-N 353.443 4.387 0 40 FIAB COc1cc2cc(C)c(SCC(=O)NC3CCCCC3)nc2cc1OC 928257 YWGQMTWQZPSSGS-UHFFFAOYSA-N 374.506 4.101 0 40 FIAB O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(Cl)c(Cl)c1 32894293 SMDVQXSNWFQFTB-UHFFFAOYSA-N 372.296 4.344 0 40 FIAB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c1 102596433 OBHUUJZYVXEXMT-MRXNPFEDSA-N 370.478 4.316 0 40 FIAB COc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)c(OC)c1OC 3316783 SCJNCGAXIJYOOP-UHFFFAOYSA-N 371.216 4.376 0 40 FIAB CCOc1ccc2c(ccc(/C=C/c3ccc(O)c4ncccc34)[n+]2C)c1 4900202 FCFDWEARFQCYEH-UHFFFAOYSA-O 357.433 4.487 0 40 FIAB CCOC(=O)/C(=C\c1cn(C(C)=O)c2ccccc12)[P@](C)(=O)OCC 6002047 XNEKNLQBLPJNNT-BQHRQADXSA-N 363.350 4.150 0 40 FIAB Cc1nnc2c3ccccc3nc(Nc3ccc(Br)cc3)n12 7500032 ZGLYPOLWEDFOJX-UHFFFAOYSA-N 354.211 4.092 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCCCC3)cc12 7753271 VQUCKDLISYXAAJ-UHFFFAOYSA-N 357.454 4.220 0 40 FIAB COc1ccc2[nH]cc(C3=CCN([C@H](C)c4nc(C5CC5)no4)CC3)c2c1 53076351 MGJXPEXPFPEOPX-CYBMUJFWSA-N 364.449 4.287 0 40 FIAB COc1cccc(-c2cc(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)no2)c1 101222547 KUPVMDKCRMNEOZ-YCRPNKLZSA-N 354.450 4.391 0 40 FIAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)C(Cl)(Cl)Cl 22464284 HPNDQTUGHSWGLH-UHFFFAOYSA-N 372.595 4.305 0 40 FIAB O=C(/C=C/c1c(F)cccc1F)N[C@H](c1ccccc1)c1ccccn1 42383328 DPRPRLRFINWECF-JNCYCUAHSA-N 350.368 4.279 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 23122437 UIPRUNKIUJMBKN-KRWDZBQOSA-N 357.837 4.185 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 1030480 DUXKAAOUHGRUMY-NSHDSACASA-N 355.265 4.113 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CCO1 61718476 RYWULVKYLYOCGJ-SFHVURJKSA-N 362.473 4.377 0 40 FIAB CCN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1C 24771336 UXLCZSOAEHEDPB-UHFFFAOYSA-N 361.367 4.417 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NCCc1ccc(Cl)cc1 3281922 TYFMPWIEGJUEOO-GFCCVEGCSA-N 367.276 4.161 0 40 FIAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 10946491 YIVCIANWPFYNJP-VIFPVBQESA-N 367.783 4.016 0 40 FIAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccnc1 10908279 RMNLZVAMADYEPD-UHFFFAOYSA-N 372.403 4.003 0 40 FIAB CC[C@@H]1c2ccsc2CCN1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 11473515 GYKZCCCABCQSQH-KBXCAEBGSA-N 360.498 4.416 0 40 FIAB CC(CNC(=O)c1cccc2cn[nH]c12)(c1ccccc1)c1ccccc1 12816217 ZOGHWLQFORPQIH-UHFFFAOYSA-N 355.441 4.299 0 40 FIAB O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)CCC3)s1)c1ccco1 12873354 IADQCOBAJUSIIB-UHFFFAOYSA-N 352.415 4.334 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2F)cc1OC 12996509 CTOIAFRWXFPVQV-INIZCTEOSA-N 363.816 4.474 0 40 FIAB COc1cc(C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1 8470180 GXLNWCKEJLPGPO-UHFFFAOYSA-N 371.614 4.388 0 40 FIAB Cc1ccc(SCC(=O)Nc2ccc(N3CCOCC3)c(F)c2)c(C)c1 4053846 BVWHRWDKEVSECO-UHFFFAOYSA-N 374.481 4.010 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3ccccc3o2)c1 14118758 JQRCQUCKZAGAQU-KRWDZBQOSA-N 351.402 4.427 0 40 FIAB Cc1ccc2c(CSc3nnc(-c4ccncc4)o3)cc(=O)oc2c1C 14136647 TTZMUZJFJCWLRX-UHFFFAOYSA-N 365.414 4.147 0 40 FIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 4667072 GFHJMHWNHIFYFK-CQSZACIVSA-N 359.491 4.133 0 40 FIAB CCOc1c(Br)cc(/C=C2\C(=O)Nc3ccccc32)cc1OC 4680660 DJCBQCZAMGBIHF-JYRVWZFOSA-N 374.234 4.349 0 40 FIAB CCN1C[C@H](CN(C)Cc2coc(-c3cccs3)n2)Oc2ccccc21 69897120 RNWNEMDHLVLPFJ-INIZCTEOSA-N 369.490 4.122 0 40 FIAB COc1ccc(-c2nnc(C)c3nn(-c4ccc(Cl)cc4)cc23)cc1 5792658 OYCDXZAUSBGNEU-UHFFFAOYSA-N 350.809 4.453 0 40 FIAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=N)s2)cc1C 6862231 GVPCKAWBLINJPR-UHFFFAOYSA-N 355.488 4.123 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2SC(F)F)cc1 7055877 NSPKQVHODVHKGL-UHFFFAOYSA-N 359.419 4.201 0 40 FIAB Cc1c(C(=O)NCc2ccc(N3CCCC3=O)cc2)sc2ccccc12 7491755 MGXZKKWFZLNBPL-UHFFFAOYSA-N 364.470 4.267 0 40 FIAB Clc1cccc(-c2noc(CSc3nnc(NC4CC4)s3)n2)c1 7720659 VWZCXWCFLAVFAF-UHFFFAOYSA-N 365.871 4.108 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C(=O)NCc2ccccc2)C(C)C)o1 9048615 KKUYEKDCGOAFAH-MRXNPFEDSA-N 371.462 4.071 0 40 FIAB COc1ccc(Nc2nc(Nc3ccc(C)cc3)nc3nccnc23)cc1 9074448 PYOPNYGSRWTSLD-UHFFFAOYSA-N 358.405 4.224 0 40 FIAB c1ccc(-n2nc(SC[C@@H]3COc4ccccc4O3)nc2C2CC2)cc1 8040197 TYECHPOGPPNCCG-INIZCTEOSA-N 365.458 4.077 0 40 FIAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8157314 ARKKWDIBXINKIK-MRXNPFEDSA-N 369.486 4.375 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)c1cccc(Br)c1 8244098 QWHMLZHNANWTJN-UHFFFAOYSA-N 361.264 4.331 0 40 FIAB O=C(c1cn2ccccc2n1)N1CCc2sccc2[C@H]1c1cccs1 9157037 RILGOKBNRFNHCJ-SFHVURJKSA-N 365.483 4.245 0 40 FIAB COc1ccc(CNC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1OC 9710813 MYCBBSNEUMSVNS-LJQANCHMSA-N 360.429 4.039 0 40 FIAB NC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Cl 95394620 OGYTYWKEBQWQQG-UHFFFAOYSA-N 367.836 4.051 0 40 FIAB CNC(=S)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Br)c1 89392216 HLVMIWNHGCMGJT-MRXNPFEDSA-N 374.307 4.105 0 40 FIAB Clc1ccc(-c2noc(-c3cccnc3NC[C@@H]3CCCO3)n2)cc1 21787755 OVJQUMSGFAZFME-AWEZNQCLSA-N 356.813 4.043 0 40 FIAB Cc1ccc(-c2ncc(S(=O)(=O)c3nc4ccccc4s3)o2)cc1 35681814 ZKHZWIHEPRMFSP-UHFFFAOYSA-N 356.428 4.093 0 40 FIAB CCCc1cc2c(O)c(-c3nc4ccccc4s3)c(=O)oc2cc1O 11865280 LNCRFJZDEQUCCQ-UHFFFAOYSA-N 353.399 4.433 0 40 FIAB biogenic CSc1ccc(CSCCC(=O)Nc2ccc3c(c2)OCO3)cc1 32788285 WWHTXXLFTCRJHX-UHFFFAOYSA-N 361.488 4.399 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cnc(Cl)cc2C)cc1 72217878 FCFSSDNOWRDIIT-QGZVFWFLSA-N 364.898 4.268 0 40 FIAB C[C@@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1 72342042 GALOKXUERUKTRR-AWEZNQCLSA-N 364.449 4.159 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219561845 JKAIERPOUIWGMR-IAGOWNOFSA-N 369.461 4.271 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3cccnc3SC)sc2C)cc1 6200842 FGPGNPVVUDGBOW-UHFFFAOYSA-N 371.487 4.496 0 40 FIAB Cc1nc(-c2ccccc2)oc1C(=O)N(CC(F)(F)F)c1ccccn1 79438310 YSZCGEXXNXGLQV-UHFFFAOYSA-N 361.323 4.254 0 40 FIAB Cc1cccc(Nc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)n1 49029588 JAVWVOOPAXBJQF-UHFFFAOYSA-N 358.854 4.425 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(=O)OC 225792679 PCJHETXXDGSVFG-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3F)o2)cc1 224857095 WMCJRLBKXSWTDP-UHFFFAOYSA-N 354.381 4.451 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 224417001 OJRYORSAKCGCHW-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB COc1ccccc1NC(=O)NCC[C@H](O)c1cccc2ccccc12 77119006 PHFIDKMCGPDZEZ-IBGZPJMESA-N 350.418 4.094 0 40 FIAB COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1Cl 225782340 FWAFCXGDPAYOES-LBPRGKRZSA-N 350.871 4.103 0 40 FIAB O=C(c1ccc(NC(=S)NCCC2=CCCCC2)cc1)N1CCCCC1 225355808 KMANVYHDUVNOQY-UHFFFAOYSA-N 371.550 4.490 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)COc1cc(C)ccc1C(C)C 225102425 IWEZEIHKJOSJNK-IBGZPJMESA-N 360.542 4.268 0 40 FIAB CC(C)(C)OC(=O)NC[C@H]1C(=O)c2ccccc2C[C@@H]1c1ccccc1 225752808 ZBGDYJWKCPTUHK-RTBURBONSA-N 351.446 4.350 0 40 FIAB Cc1cccc(Cl)c1NS(=O)(=O)c1cccc(Br)c1 89065128 PYTKYXPRKITEPX-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)[C@H](CC(C)C)n3cccc3)sc2c1 575443213 DYHXQBNQWBQEAS-INIZCTEOSA-N 370.478 4.282 0 40 FIAB CC(C)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)nc(N2CCCC2)n1 96101250 WFMRYSOXOOIDII-UHFFFAOYSA-N 373.526 4.207 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(NC(=O)C(C)C)cc1 43674946 HKADADQNANFVOJ-UHFFFAOYSA-N 357.429 4.474 0 40 FIAB CCSCc1nnc2sc(COc3ccc4ccccc4c3)nn12 1776110964 BPMLTHOMSOVOJZ-UHFFFAOYSA-N 356.476 4.171 0 40 FIAB CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CCCC12CCCCC2 661432929 FPCJDABISJQBJO-AWEZNQCLSA-N 372.435 4.083 0 40 FIAB CC(C)n1ncc2cc(NC(=O)[C@H](C)SCc3ccccc3)cnc21 44398005 YCEPAOIZDRIKPW-AWEZNQCLSA-N 354.479 4.273 0 40 FIAB CCOC(=O)N(C)c1ccc(NC(=O)N2CC[C@H]2c2ccccc2)cc1 54530565 HPHYRUPXRJLJAQ-SFHVURJKSA-N 353.422 4.258 0 40 FIAB COc1ccc(Cl)cc1NC(=O)N1CC(n2c(C)nc3ccccc32)C1 1775974039 KMAHOVFCLPHSQF-UHFFFAOYSA-N 370.840 4.096 0 40 FIAB CCOC(=O)c1cc2cc(-c3coc4cc(O)ccc4c3=O)ccc2o1 5903046 MVCYRPPLVJBUCT-UHFFFAOYSA-N 350.326 4.089 0 40 FIAB biogenic Cn1c(SCc2ccccc2)nnc1[C@H]1CCCN(Cc2ccco2)C1 19289299 GSSHBFNXPRRFCN-KRWDZBQOSA-N 368.506 4.080 0 40 FIAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2CC2CC2)cc1 19694469 KZEMFLYGZIFXGB-FQEVSTJZSA-N 366.509 4.155 0 40 FIAB COc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)O)cc1 19894595 RITPVTKXCXEEPW-UHFFFAOYSA-N 354.431 4.498 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nc(NN)sc3c2)c1 226312716 GEBCUUADAXZZKW-UHFFFAOYSA-N 370.478 4.031 0 40 FIAB Cc1cc(C)cc(-c2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)o2)c1 7074006 LXWSWTXDTWBMLN-KRWDZBQOSA-N 367.474 4.275 0 40 FIAB CC(C)CCn1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O 29137198 IFAKBVVQMVDBMJ-UHFFFAOYSA-N 372.494 4.241 0 40 FIAB CCn1c(NCCSc2nc3ccccc3n2C)nc2ccccc21 4622853 OLJWUBYLWNNFGF-UHFFFAOYSA-N 351.479 4.147 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1 9625279 XUYIFOVANPDHPL-UHFFFAOYSA-N 366.446 4.277 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)CCC(=O)N2 9827755 DMVDVONLBQUDJY-UHFFFAOYSA-N 360.413 4.376 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCS[C@@H](c2ccccc2)CC1 206986413 RIEPOQPNJUOKQL-HXUWFJFHSA-N 350.487 4.348 0 40 FIAB CCCCc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 4331162 CFXSYCNRKPWAEV-UHFFFAOYSA-N 366.513 4.158 0 40 FIAB COC(=O)c1ccc(Cn2cc(C=O)c3cc(Br)ccc32)cc1 6288247 JSAJNGNBJAQBIS-UHFFFAOYSA-N 372.218 4.051 0 40 FIAB CN(Cc1ccccc1)C(=O)CCS[C@@H]1CCc2ccccc2N=C1O 20426715 KELJXJIHPXVAII-LJQANCHMSA-N 368.502 4.371 0 40 FIAB Cn1cc([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 100868505 WBSGEBAJSXUHLF-IBGZPJMESA-N 354.409 4.379 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3OCC)n[nH]2)cc1 51315425 XIMDTBJHQVUDSW-UHFFFAOYSA-N 351.406 4.126 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)COCc2ccc(Cl)cc2)C1 102390073 JDGKRHQXJPOJFV-NLWGTHIKSA-N 351.918 4.118 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)NCc2cccs2)cc1C(C)C 8132962 RAKAORRFSJWDEX-UHFFFAOYSA-N 353.509 4.057 0 40 FIAB O=C(CS[C@@H]1CCc2ccccc2N=C1O)NCCCc1ccccc1 11865939 OGTAHCZTIJKGIJ-LJQANCHMSA-N 368.502 4.072 0 40 FIAB O=c1[nH]c(SCCCCOc2ccc(Cl)cc2)nc2c1CCCC2 11905558 XPNXCQFXODADNQ-UHFFFAOYSA-N 364.898 4.253 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 1264667 HGDYZOCGSYLXKX-UHFFFAOYSA-N 353.599 4.142 0 40 FIAB CCCCN(CCCC)C[C@@](C)(O)CNc1cc(OC)cc2cccnc12 1656120 HTFQGDNSKYUEPU-QFIPXVFZSA-N 373.541 4.309 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(C)c2[nH]c(C)c(C(=O)OCC)c2C)c1C 1729623 SZZZMJSQFSKDCI-UHFFFAOYSA-N 360.454 4.082 0 40 FIAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCCNc1ccccc1 79101884 ZYKZXFMOSALRET-UHFFFAOYSA-N 362.477 4.012 0 40 FIAB Cc1cc(C)cc(OCCN(C)C(=O)c2nc(-c3ccccc3)[nH]c2C)c1 32933172 RRSTWPFGOROULU-UHFFFAOYSA-N 363.461 4.153 0 40 FIAB COc1ccc(-c2csc(C3=C(O)CN(C4CCCC4)C3=N)n2)cc1 102730518 PDILDQAEZSUVED-UHFFFAOYSA-N 355.463 4.323 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102839592 CHITUUTUOMFTAP-PWNZVWSESA-N 360.523 4.127 0 40 FIAB COc1cc(COc2ccc3c(C)cc(=O)oc3c2)ccc1OC(F)F 7131412 DKQFQDRXKGBWEO-UHFFFAOYSA-N 362.328 4.290 0 40 FIAB Cc1ccnn1C[C@H](C)c1cc(O)n2nc(-c3cccc(Cl)c3)cc2n1 100775467 HKRFCUXMYVLTJO-LBPRGKRZSA-N 367.840 4.064 0 40 FIAB CSc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 22286491 VHCFCCDYFLMZIG-UHFFFAOYSA-N 366.442 4.147 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1ccc(NC(=O)CCCC(=O)O)cc1 8434563 NYKJOJMPCWLXHR-UHFFFAOYSA-N 374.824 4.094 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 846098 OIOFZVKWVFQYGX-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 106231011 LGEBIEBSBPIWCE-UHFFFAOYSA-N 357.425 4.301 0 40 FIAB COc1ccc(NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 23235325 XIMUMBLARQHOOA-UHFFFAOYSA-N 351.362 4.185 0 40 FIAB O=C(CSc1nnc2ccccn12)c1ccc(Oc2ccccc2)cc1 937520 JNACQKNZWQDBDU-UHFFFAOYSA-N 361.426 4.497 0 40 FIAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 991211 SNRATQFBTLMJHB-MSOLQXFVSA-N 351.402 4.393 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C(F)(F)F)c(C)c1 27974996 WIKQODASKAPDTJ-CQSZACIVSA-N 351.368 4.406 0 40 FIAB CCc1ccc(Cn2nccc2NC(=O)CCc2ccccc2OC)cc1 21599622 DGXSOEAWYWUUNG-UHFFFAOYSA-N 363.461 4.074 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)cn2)n1 24571630 PEZSOTAKYLPLNR-UHFFFAOYSA-N 374.366 4.084 0 40 FIAB O=C(CNCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 52537346 MWXGRPSQVCXCLA-UHFFFAOYSA-N 360.738 4.226 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cccnc1Cl 12540741 QIQQCFOMXYTPGM-AWEZNQCLSA-N 358.873 4.164 0 40 FIAB COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 43187201 FJYHDWPNMDZEBD-UHFFFAOYSA-N 370.293 4.367 0 40 FIAB CCOc1ccc(C(=O)NCCSc2ccc(C)cc2)cc1OCC 104907310 JNPLUOOQJVLKFN-UHFFFAOYSA-N 359.491 4.315 0 40 FIAB O=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccc(Cl)cc1Cl 1398088 HHXYXNPQQBOYSH-UHFFFAOYSA-N 367.619 4.426 0 40 FIAB Cc1cc(O)c(C(C)C)cc1N1C(=O)c2ccc(Br)cc2C1=O 3204642 WKFOHIJVOWETQK-UHFFFAOYSA-N 374.234 4.387 0 40 FIAB O=C(NCc1ccccc1F)c1cc(-c2ccncc2)nc2ccccc12 17064158 FVWFLHPARJJHIK-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1F 10260905 RJOSIYZWVFWYLC-INIZCTEOSA-N 358.804 4.124 0 40 FIAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 22526482 SMPLHYPQRYXDJU-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 29508733 IRWNMXKYLSFXTN-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB O=C(Nc1ccc2ncccc2c1)c1cccc(NC(=O)c2ccco2)c1 58218950 YIDYHZFSFGRCPE-UHFFFAOYSA-N 357.369 4.332 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)Nc1ccc(Sc2nncn2C)cc1 58224555 BZYKGELWBJGJMY-UHFFFAOYSA-N 373.507 4.107 0 40 FIAB COc1cc2c(cc1NC(=O)CSc1nncs1)oc1ccccc12 3389484 UDDJPTYOLFKCPX-UHFFFAOYSA-N 371.443 4.177 0 40 FIAB Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1 28403158 WUFNJTKIYVFIRU-IBGZPJMESA-N 372.534 4.025 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 12775520 KLAHYAAZBRRQIU-QGZVFWFLSA-N 372.852 4.267 0 40 FIAB CSc1ccccc1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 29174914 KPNOGQRLYFAAAM-FQEVSTJZSA-N 368.546 4.221 0 40 FIAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)Cc1ccccc1-2 12809403 QIXRNBISEOEZCM-NRFANRHFSA-N 355.393 4.498 0 40 FIAB CC(C)CNC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12816543 DGBCGIVKJGWWET-ZDUSSCGKSA-N 355.463 4.143 0 40 FIAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(C(F)(F)F)n2C)c1C 3426311 RANMIQUYNYXPTP-UHFFFAOYSA-N 357.401 4.043 0 40 FIAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)cc1 67898678 DORVDWKAIWWCKN-QFIPXVFZSA-N 372.472 4.440 0 40 FIAB biogenic,in-vitro O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 17823077 YUCOPMQAVBGJGP-HJGBXLFDSA-N 366.505 4.080 0 40 FIAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 4517782 RHAPHKQUDNDQJJ-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB O=C(COc1ccccc1Cl)NC(=S)Nc1cccc2ccccc12 4548585 LMEIRFROPYITSZ-UHFFFAOYSA-N 370.861 4.385 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 4694458 YJIWPBCWAQIMAK-UHFFFAOYSA-N 373.865 4.260 0 40 FIAB C/C(=C/C(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 4744987 UYUSYLAFLUQAIS-BENRWUELSA-N 352.415 4.241 0 40 FIAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 4835145 USZGXQGCWQVUAT-GFCCVEGCSA-N 358.854 4.040 0 40 FIAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C)s3)C2=O)c1 408932023 AWEORWMWURHPMI-DHDCSXOGSA-N 372.471 4.040 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2C)cc1 8869594 UIRLBIPHELQJIA-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB Cc1cc([C@H](C)NC(=O)NCc2cccc(CN3CCCC3)c2)c(C)o1 67729385 RXTKXQDNQARLAJ-INIZCTEOSA-N 355.482 4.053 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc2ccc3ccccc3n12 7997306 QLXKGBQGWACTJW-CQSZACIVSA-N 362.458 4.310 0 40 FIAB COc1cccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1OC 8072272 LSBFXZCSSICYIO-UHFFFAOYSA-N 366.442 4.379 0 40 FIAB CN(C)c1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 8020317 OPCVMUWGKAMJCG-INIZCTEOSA-N 365.502 4.382 0 40 FIAB Cc1sc2nc(CSc3ccc4c(c3)OCCCO4)[nH]c(=O)c2c1C 9596469 RHHFHQOFYBAFSP-UHFFFAOYSA-N 374.487 4.055 0 40 FIAB Cc1cccc(-c2nnc(CN(Cc3cccs3)C[C@@H]3CCCO3)o2)c1 96982025 QIPSHHNQDZHCJW-KRWDZBQOSA-N 369.490 4.288 0 40 FIAB COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)C(=S)N1C 409029624 BDUCHHIAFOJUSC-RGEXLXHISA-N 374.465 4.453 0 40 FIAB O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc(Cl)cc1Cl 23128018 JGLKNFIUJQNXMZ-UHFFFAOYSA-N 367.276 4.228 0 40 FIAB CCC(=O)Nc1cccc(C(=O)NC2CCC(n3c(C)ccc3C)CC2)c1 89941783 VIMKHUXXYJKAQB-UHFFFAOYSA-N 367.493 4.367 0 40 FIAB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc(Cl)cc2)cc1 26780238 BRUOUKLXXRQURY-GOSISDBHSA-N 369.852 4.169 0 40 FIAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc2nsnc2c1 21596141 NPOGVTASANAEAY-UHFFFAOYSA-N 358.854 4.197 0 40 FIAB O=C1N/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccccc1 409244882 KAGNMNLCXQTXPO-RCCKNPSSSA-N 354.409 4.447 0 40 FIAB Cc1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCC2)cc1 27793119 IEECWSIWYGLTPR-GPUVRGFBSA-N 366.549 4.465 0 40 FIAB COc1ccc(-c2ccc(NC(=O)[C@H]3CCC(=O)C[C@@H]3C)nc2)cc1Cl 548417970 HOQPYHTUYFFWOM-LRDDRELGSA-N 372.852 4.354 0 40 FIAB CC(C)(C)c1ncc(C(=O)Nc2cccc(Br)c2)nc1Cl 3851963 OHZOYUSNAVLTBA-UHFFFAOYSA-N 368.662 4.442 0 40 FIAB biogenic Cc1ccc(Nc2nccc([C@@H]3CCCN3CCc3ccccc3)n2)nc1 72377561 UQTRQGQHGXOPBE-FQEVSTJZSA-N 359.477 4.303 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(Nc2ccccc2)nc1 72214062 AYLPREODSVOFQO-UHFFFAOYSA-N 355.438 4.313 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)c(OC)c1 34873462 BUCVHRHBRHOFOU-OALUTQOASA-N 361.869 4.228 0 40 FIAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C2CCCCC2)nc1C 72345512 DHXVACIHARUVIS-LJQANCHMSA-N 358.530 4.127 0 40 FIAB Cc1ccc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)c(C)c1 222827452 NDQZTKXEGXRVJD-UHFFFAOYSA-N 355.478 4.218 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(C)c(C)c2)c1 225706533 QZPCNKDDRDBWLK-HNNXBMFYSA-N 356.491 4.446 0 40 FIAB COCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225615949 VINMTUMCLDXZEQ-UHFFFAOYSA-N 351.487 4.128 0 40 FIAB Cc1ccc2oc(CCCC(=O)NCCc3ccc(Cl)cc3)nc2c1 224949081 COHAQLWHCMSEJX-UHFFFAOYSA-N 356.853 4.471 0 40 FIAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 224858400 UTLFHBKNHQPADG-SJORKVTESA-N 371.849 4.211 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 225487148 RKWAFSJHEYNBJM-INIZCTEOSA-N 360.479 4.150 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 225481258 VVZSTHSSIXGYCD-SFHVURJKSA-N 353.491 4.251 0 40 FIAB Cc1cc(C)cc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225832458 LOWZIULNWWKIAT-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)SCc2ccccc2)cc1Cl 224119710 IVBHKGMRFNZWGS-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 225700394 HORSMZDNXBJGFP-LJQANCHMSA-N 367.445 4.133 0 40 FIAB Cc1ccc(CN2CC[C@]3(C2)C(=O)N(CC(C)C)c2ccccc23)s1 96100306 CDLIVLOXLFNKAL-OAQYLSRUSA-N 354.519 4.203 0 40 FIAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccco4)CC3)cc21 96099940 LZRCTMGKHTUUSA-UHFFFAOYSA-N 373.460 4.003 0 40 FIAB O=C(Nc1ccccc1C(=O)O)c1ccc(C(F)(F)C(F)(F)F)cc1 585100362 UIZKEGJRLOORGK-UHFFFAOYSA-N 359.250 4.291 0 40 FIAB O=C(c1cccs1)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257252128 JTQXIDCLJCTCMY-HNNXBMFYSA-N 370.449 4.486 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1 257238892 HMZJYCKAXGBVKH-OAHLLOKOSA-N 351.475 4.095 0 40 FIAB O=C(/C=C/c1ccccc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 85556453 ZTXSNSAGTYYUNR-ZHACJKMWSA-N 372.472 4.390 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2c(O)cccc2Cl)cc1C(F)(F)F 647919028 IYTHKEZRCGAAKH-UHFFFAOYSA-N 365.760 4.174 0 40 FIAB C[C@@]1(c2ccccc2)CCCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 1170194362 MJJLBTLOHMKXHE-HSZRJFAPSA-N 363.457 4.442 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)c1ccnc(SCC(F)(F)F)c1 112862843 ZMCWYYMIBJUMBS-UHFFFAOYSA-N 351.353 4.470 0 40 FIAB CSCc1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 608989866 KKJWOVYWJAPLLN-QAPCUYQASA-N 368.502 4.098 0 40 FIAB CCC(=O)Nc1cccc(CNCc2cc(F)cc(C(F)(F)F)c2)c1 1660953707 YNNRDPSZJFLBPQ-UHFFFAOYSA-N 354.347 4.483 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 5864460 UQMCBSGAQBJJEF-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 14159615 UDBYGDQNUYQWLM-CQSZACIVSA-N 350.418 4.106 0 40 FIAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 4987902 SHYODJREAKMECW-UHFFFAOYSA-N 352.430 4.306 0 40 FIAB COc1ccc(CC(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 4120078 MODOOWCIWGNZPP-UHFFFAOYSA-N 374.893 4.023 0 40 FIAB COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccccc2)cc1 4890721 DBLAYYCXCVINSD-UHFFFAOYSA-N 367.474 4.004 0 40 FIAB Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)c1 12416185 XXMNECBZBGNOFP-CQSZACIVSA-N 353.809 4.219 0 40 FIAB O=C([C@@H]1CC=CCC1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585531530 CWYOOAIVKLLIND-OAHLLOKOSA-N 368.399 4.074 0 40 FIAB C[C@H]1CCCC[C@@H]1NCc1cc(=O)n2c(-c3ccccc3)csc2n1 40460179 HXMGWRZLDRZTMV-YOEHRIQHSA-N 353.491 4.091 0 40 FIAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1OC(F)F)NCC2 20506987 KUQFMGPZDMVJQS-IBGZPJMESA-N 363.404 4.321 0 40 FIAB COc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3cnnc3N2)cc1OC 101618738 XKIPTISEZUPGTF-INIZCTEOSA-N 368.824 4.005 0 40 FIAB Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1sccc1C(N)=O 2637497 BSGIIYORALUDRZ-UHFFFAOYSA-N 362.520 4.184 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccccc1N1CCCC1=O 32871997 GPPFNYTYIYGSMD-HLIPFELVSA-N 372.509 4.229 0 40 FIAB Cc1ccc(-c2nc(SCC(=O)NC(C)C)c3ccccc3n2)cc1 1367600 JGTDSWQMUGJSKD-UHFFFAOYSA-N 351.475 4.222 0 40 FIAB CCCCCn1c([C@@H](C)NC(=O)COc2ccccc2)nc2ccccc21 2721366 YRFTZYXNVLUFQJ-QGZVFWFLSA-N 365.477 4.483 0 40 FIAB CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 102624050 GPWIOHQIWAIUBJ-INIZCTEOSA-N 370.478 4.403 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 3520158 WUUVTXDCTBIEPU-HUUCEWRRSA-N 370.522 4.026 0 40 FIAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1scnc1-c1ccccc1 102725778 VUOWRXSPXKYSEU-HNNXBMFYSA-N 350.399 4.050 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)C1 21873529 BIFCZPSKWUZXMQ-CHWSQXEVSA-N 370.888 4.243 0 40 FIAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccccc1OC)N2 6630673 OGMYPTDDQKWOML-UIAACRFSSA-N 353.418 4.116 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1ccccc1NC(=O)CCCC(=O)O 8434565 ICLAQNBYXMBOOV-UHFFFAOYSA-N 374.824 4.094 0 40 FIAB COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl 8535078 NSSGMQURAFCCHO-GFCCVEGCSA-N 370.276 4.051 0 40 FIAB Nc1c(C(=O)c2cccs2)sc2c1[C@@H](c1ccccc1F)CC(=O)N2 12276218 IHLTVJCICAQEFO-SNVBAGLBSA-N 372.446 4.236 0 40 FIAB Cc1noc(C2CCN(C(=O)c3cc(F)ccc3-c3ccccc3)CC2)n1 53454903 XUMCXYDBLBCJPP-UHFFFAOYSA-N 365.408 4.204 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@H]1C[C@H]1C[C@@H]2CC[C@@H]1C2 100713634 KUQSARIONLCSRO-VQHPVUNQSA-N 366.461 4.066 0 40 FIAB O=C(COC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1Cl 103100298 NPHYUTHOZNFNDY-IJLUTSLNSA-N 356.249 4.301 0 40 FIAB Cc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1Cl 803269 XKOKTIZGSNHDIW-UHFFFAOYSA-N 350.805 4.401 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)c1ccccc1 23002773 HONFSLOBHQNVOV-FQEVSTJZSA-N 362.404 4.244 0 40 FIAB Cc1ccc2oc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)cc(=O)c2c1 23505003 NADQGCYVHVFYQM-GFCCVEGCSA-N 357.356 4.213 0 40 FIAB O=C(/C=C/c1ccccn1)Nc1ccnn1Cc1c(Cl)cccc1Cl 55071271 GUQJWSSLZXPMFY-BQYQJAHWSA-N 373.243 4.285 0 40 FIAB C[C@@H](NC(=O)C[C@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 25047874 BYZFUNHQDREUND-VLIAUNLRSA-N 369.436 4.140 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 1400068 NRZISWZGWJWHDA-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CN(C)S(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)cc1 3299466 DKKDPWNDPFHSPA-UHFFFAOYSA-N 366.486 4.138 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccccc1F)CO2 57110770 BAPFNSGUOMRLMF-UHFFFAOYSA-N 365.404 4.081 0 40 FIAB Cc1cc2nc(N3CCC([C@@H](O)c4ccccc4)CC3)c3ccccc3n2n1 26700960 ADUIABBCFWBTMW-QFIPXVFZSA-N 372.472 4.141 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2ccn(Cc3ccccc3)n2)cc1 55447261 JNJAFFULHWWCBZ-OAHLLOKOSA-N 367.474 4.059 0 40 FIAB CN(C)c1ccc(-c2csc(NC(=O)COc3ccccc3F)n2)cc1 27021135 CCUQYLGONGCJTH-UHFFFAOYSA-N 371.437 4.033 0 40 FIAB Cc1ccc(OCCCCNC(=O)c2c(C)nn(C(C)(C)C)c2C)cc1 58112569 PWQRHQKZJCVARK-UHFFFAOYSA-N 357.498 4.152 0 40 FIAB C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1ccc(NC(N)=O)cc1 58210455 UKOGSDVCYUIZAT-JTQLQIEISA-N 366.343 4.079 0 40 FIAB O=C(Nc1cccc2cnccc12)N1CCC(OCc2ccccc2)CC1 58392049 RORXDDDDVVOAKL-UHFFFAOYSA-N 361.445 4.448 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)NC3CC(C)(C)NC(C)(C)C3)ccc2c1 10816742 JBCRTGUZVWUNNV-HNNXBMFYSA-N 368.521 4.377 0 40 FIAB COCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2396674 CTCIQFWLXXRFSR-UHFFFAOYSA-N 370.522 4.375 0 40 FIAB Cc1[nH]c2ccc(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)cc2c1C 11082634 BZRJQLYNSGEWNZ-UHFFFAOYSA-N 372.472 4.302 0 40 FIAB Cc1ccc(CCC2CCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)cc1 11366364 MKTPBYPDZOFLHH-UHFFFAOYSA-N 374.484 4.322 0 40 FIAB CSc1ncc(C(=O)Nc2ccccc2C(C)=O)n1-c1ccc(F)cc1 36842100 OLHILZMJEKAIBN-UHFFFAOYSA-N 369.421 4.188 0 40 FIAB CC1CCC(N(C)Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)CC1 12772980 PPMOXYGAAMDVPP-UHFFFAOYSA-N 357.479 4.255 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1OC 12779460 CYZQQJYZXBEEFO-OAHLLOKOSA-N 361.825 4.040 0 40 FIAB CCN(CC)C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3500938 ATRACOSOBVIYRG-UHFFFAOYSA-N 369.465 4.396 0 40 FIAB CC(C)Sc1ncc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)n1 8916974 SSBPVCHZKAKBRQ-UHFFFAOYSA-N 373.812 4.484 0 40 FIAB COc1cccc(OC)c1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 5294643 PFRXVVMERZKYFV-OAHLLOKOSA-N 365.429 4.113 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118915422 IQCNQJXIOWBNAT-HPTKSSEUSA-N 374.521 4.201 0 40 FIAB O=C(C1CCN(Cc2ccccc2F)CC1)N1CCCc2ccccc21 9062716 JLEYNFLRVCISEO-UHFFFAOYSA-N 352.453 4.017 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14141284 HUVAWDZUUIPGGV-UHFFFAOYSA-N 374.396 4.371 0 40 FIAB Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c1C 6648289 MRRVVRNRKOKHFI-SFHVURJKSA-N 358.869 4.350 0 40 FIAB Cc1ccccc1-n1c(C)nnc1SCc1nc(-c2ccccc2)no1 5619921 AKBPDMHFGXPCDH-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB COc1cccc(-c2noc(COC(=O)c3csc4c3CCCC4)n2)c1 5968012 YNFPLOAUSZSXAN-UHFFFAOYSA-N 370.430 4.043 0 40 FIAB Cc1cccc(OCCCNc2cnn(-c3ccccc3)c(=O)c2Cl)c1 16738053 AGKIYDQMRWRTJS-UHFFFAOYSA-N 369.852 4.075 0 40 FIAB O=C(NCCc1ccccn1)N1CCc2sccc2[C@@H]1c1ccccc1 69370868 GRDROTZFJPFGCB-FQEVSTJZSA-N 363.486 4.043 0 40 FIAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)C[C@@H]2C=CCC2)cs1 8328223 DAQUCMLYPQRHII-OAHLLOKOSA-N 370.474 4.032 0 40 FIAB O=C(NC1CCN(CCCOc2cccc(Cl)c2)CC1)c1ccccc1 95381823 PPCDQJYSXJIXTF-UHFFFAOYSA-N 372.896 4.003 0 40 FIAB CC(C)(C(=O)N1CCC2(CCOCC2)C1)c1ccc(Cl)c(Cl)c1 75339485 FFRKBJMWRUZGIH-UHFFFAOYSA-N 356.293 4.300 0 40 FIAB COc1cccc(N2CCN([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@@H]2C)c1 89939385 CIFDOEARVMJCQO-HOTGVXAUSA-N 357.498 4.252 0 40 FIAB O=C(O)Cc1sc(=Nc2ccccc2F)[nH]c1-c1ccc(Cl)cc1 408892003 XBQCDUDQCSPRIS-UHFFFAOYSA-N 362.813 4.395 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1OC 27824073 GISPZJXEQBIFPK-UHFFFAOYSA-N 355.312 4.245 0 40 FIAB Cc1cc(C)c(OCC(=O)n2cc(C(=O)O)c3ccccc32)c(Cl)c1 216797943 QOSSBCPCONBBTI-UHFFFAOYSA-N 357.793 4.329 0 40 FIAB O=C1OC2=C(CCCCC2)[C@H](N2CCCCC2)C12SCCCS2 31759462 LOXJREIATMNLGB-INIZCTEOSA-N 353.553 4.182 0 40 FIAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NC1CCCC1 40128531 WCEGJDREHAICAS-UHFFFAOYSA-N 365.399 4.109 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NCc2cccc(OC(C)C)c2)c1 225523644 NPIHKTOGUJZUGV-UHFFFAOYSA-N 372.490 4.055 0 40 FIAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224218984 MOIYODSWXWOKLV-UXHICEINSA-N 362.502 4.389 0 40 FIAB Cc1nc2cc(NC(=O)c3ccnc(O[C@@H]4CCSC4)c3)ccc2s1 225722741 LNZCCWBSUTUKKY-CQSZACIVSA-N 371.487 4.136 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)cc1C 225107400 YUXTUMGSEBOBPM-LBPRGKRZSA-N 351.497 4.061 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2cccc(C)c2)CC1 225188172 KCGUSGNMYMIGKA-SFHVURJKSA-N 366.505 4.093 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(OC)cc3)o2)cc1 224858840 JUQFSDAVQCHZHS-UHFFFAOYSA-N 366.417 4.320 0 40 FIAB CSc1nc(N2c3ccccc3C[C@@H]2C)c2cc(C(=O)O)sc2n1 226105677 PIWCHBHQGVTAGR-VIFPVBQESA-N 357.460 4.194 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225818370 DDWRVYAFELKIRH-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3cc(C)cc(C)c3C)s2)cc1 223064746 MCVWKBLHRYWCBV-UHFFFAOYSA-N 367.474 4.456 0 40 FIAB C[C@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C)c1ccc(Cl)cc1 223097075 OJLHZHMEHKNMDZ-STQMWFEESA-N 366.848 4.263 0 40 FIAB CC(C)OCCCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225268486 AXYMGFXALOXOMR-UHFFFAOYSA-N 371.868 4.428 0 40 FIAB COc1ccccc1[C@H](C)CC(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 529674231 KEVVHZZQOYLNSN-KAZLVLGVSA-N 355.865 4.297 0 40 FIAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccc(F)c(F)c1)C2 225489661 WSXCIASYBQGYCH-INIZCTEOSA-N 358.388 4.004 0 40 FIAB biogenic,in-vitro Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223794798 OWZXZEWWXTUMLQ-SFHVURJKSA-N 355.478 4.389 0 40 FIAB CCc1cccc(CC)c1NC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225757713 LGKCAMOVSRBHGY-UHFFFAOYSA-N 362.473 4.382 0 40 FIAB Cc1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)nc1 227153539 BEZQGHSZMYKNRE-UHFFFAOYSA-N 370.840 4.025 0 40 FIAB CCOc1nc(C)ccc1-c1nc(-c2cc(OC)nc3ccccc23)no1 581910162 LSKAGCAYKJBAIY-UHFFFAOYSA-N 362.389 4.063 0 40 FIAB Fc1ccccc1Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 90610231 SFRRMDBTFORKNL-UHFFFAOYSA-N 363.348 4.121 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H]2c2cnccn2)cc1 257318639 VOVLHNAZGAQTRO-NRFANRHFSA-N 359.429 4.179 0 40 FIAB C[C@@H]1CCN(C(=O)Cn2cnc3cc(F)c(F)cc32)c2ccccc2S1 642611808 BQFFYYULMZTXMY-GFCCVEGCSA-N 373.428 4.232 0 40 FIAB Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)NC1CCCCC1 1379105 RNDCRLKFJASAKU-OUKQBFOZSA-N 369.490 4.166 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)NC1CCN(C[C@H](c2ccccc2)C2CCCC2)CC1 12188820 VYMNHOWTMIKDOZ-VOQZNFBZSA-N 354.538 4.197 0 40 FIAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 13648431 FDTKPNWDEZRDFJ-UHFFFAOYSA-N 367.898 4.038 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)c1 17075488 PEIYYJOIOSESEI-UHFFFAOYSA-N 367.518 4.421 0 40 FIAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)c2cccnc2O1 158126477 FTSHOALSNRTVHK-GFCCVEGCSA-N 354.406 4.377 0 40 FIAB Cc1nc(C)c(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)s1 151626352 LUAWHXVRXRGXCB-QGZVFWFLSA-N 356.491 4.418 0 40 FIAB Cc1cc(Br)ccc1NC(=O)c1cc(=O)c2ccccc2o1 9953855 HCPFJHOUJRNYJJ-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3ccccc3c2)nc1 6024781 MSLXWTYPIVSHQH-UHFFFAOYSA-N 356.447 4.058 0 40 FIAB COc1cccc(COC(=O)c2csc(COc3ccc(C)cc3)n2)c1 28455679 ZRVVDQZFCNDANM-UHFFFAOYSA-N 369.442 4.396 0 40 FIAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1 4120261 ZZKSRBXVPXOJAT-UHFFFAOYSA-N 374.893 4.484 0 40 FIAB Cc1cc(C)c2c(N)c(C(=O)NC34CC5CC(CC(C5)C3)C4)sc2n1 4357355 LSUPMXWJRCNNKL-UHFFFAOYSA-N 355.507 4.194 0 40 FIAB COc1cccc(NC(=S)NCCc2c(C)[nH]c3ccc(C)cc23)c1 4905336 RSBUNFDRUZMPOO-UHFFFAOYSA-N 353.491 4.322 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)[nH]2)cc1 8770272 MIBSIHYQRRXDAN-UHFFFAOYSA-N 373.865 4.470 0 40 FIAB O=C(NCc1nccnc1-c1ccsc1)C1(c2cccs2)CCCC1 575619638 OAAABSQKCZEIOJ-UHFFFAOYSA-N 369.515 4.395 0 40 FIAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCC(=O)c1ccccc1 40052448 QFBKRUSJTDPGGR-UHFFFAOYSA-N 371.387 4.053 0 40 FIAB Cc1ccc2c(C)c(C(=O)NCCc3nc(-c4ccccc4)no3)oc2c1 32593962 ASSDINQGXBHNHE-UHFFFAOYSA-N 361.401 4.072 0 40 FIAB O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 944183 LHNZXANRRYPEEB-UHFFFAOYSA-N 367.619 4.429 0 40 FIAB CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C2Sc3ccccc3N12 1049929 CFLCPBPRRXRTIX-UHFFFAOYSA-N 369.290 4.182 0 40 FIAB Cc1nc2cc(NC(=O)Nc3ccc(Br)cc3)ccc2n1C 1141573 FMTFKSXJPDTNFH-UHFFFAOYSA-N 359.227 4.288 0 40 FIAB CCOc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 1336700 XJJAIUQBHBZCFI-UHFFFAOYSA-N 370.424 4.351 0 40 FIAB O=C(NCc1cccc(CNC(=O)Nc2ccccc2)c1)Nc1ccccc1 1627368 FZTMXJUJPWQZMX-UHFFFAOYSA-N 374.444 4.330 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)c1 2466968 ZSGVQDLXLLQNBK-UHFFFAOYSA-N 363.442 4.087 0 40 FIAB Cc1cccc(C)c1NC(=O)CSCC(=O)Nc1c(C)cccc1C 2626351 KEFVYNJWKUQZIK-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB Cc1cc(C)n(C(=O)COc2ccc3cc(Br)ccc3c2)n1 2674671 CLOPYQUGYWLBFY-UHFFFAOYSA-N 359.223 4.135 0 40 FIAB COc1ccc(-c2nsc(SCC(=O)Nc3ccc(C)cc3)n2)cc1 3007363 JRZYMTWHGQFERF-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1Cl 3229016 DQXVSEJWMFHFAH-UHFFFAOYSA-N 374.805 4.094 0 40 FIAB O=C(COc1cccc(F)c1)Oc1ccc(C(=O)c2ccccc2)cc1 3561697 WCHPNEIXDLWNFK-UHFFFAOYSA-N 350.345 4.041 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 3566468 HJXRWWNAXWFALB-UHFFFAOYSA-N 361.353 4.284 0 40 FIAB C[C@@H]1CCCCN1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21 3648687 GWGYNMQRTOMNHF-OAHLLOKOSA-N 366.486 4.335 0 40 FIAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 4794617 LFBKDMFUJAQUIY-OAHLLOKOSA-N 368.477 4.123 0 40 FIAB CCc1cc2ccccc2nc1SCC(=O)NCCc1ccccc1 4849206 CUYSWIKKDJCGRE-UHFFFAOYSA-N 350.487 4.248 0 40 FIAB CCOc1ccc2nc(NC(=O)/C=C/c3ccc(OC)cc3)sc2c1 4950420 HUEGGQFAHDJDBT-IZZDOVSWSA-N 354.431 4.356 0 40 FIAB COC(=O)c1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1 5498187 MWBSUBAHRMICDX-UHFFFAOYSA-N 374.396 4.125 0 40 FIAB c1ccc(C2=NN(Cn3nnc4ccccc43)[C@@H](c3ccccc3)C2)cc1 5666852 JUYDOKGCNYCPMY-JOCHJYFZSA-N 353.429 4.240 0 40 FIAB COc1ccccc1OCC(=O)Nc1ccc(Br)cc1Cl 6260165 KAGKTZFQEBVAEB-UHFFFAOYSA-N 370.630 4.129 0 40 FIAB Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1C[C@H]1CCCO1 6314944 WFOQUMSMZJAUFC-OAHLLOKOSA-N 369.490 4.135 0 40 FIAB c1ccc2c(c1)C[C@H](CNc1ncnc3sc4c(c13)CCCC4)CO2 6585147 PFMUULLXSOLVOG-CYBMUJFWSA-N 351.475 4.233 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1nccnc1-c1nc2ccccc2s1 7922235 AVJPTIRMORAKKG-UHFFFAOYSA-N 364.405 4.453 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)s1 7987327 KDXLADDNBHKSPG-HNNXBMFYSA-N 367.474 4.083 0 40 FIAB CN(CCOc1ccc(F)cc1)c1nc(-c2cccnc2)nc2ccccc12 8244673 RGSOFRVPIVWDAX-UHFFFAOYSA-N 374.419 4.346 0 40 FIAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1oc2ccccc2c1COC 8345362 BGMMCZXNNLLCPB-UHFFFAOYSA-N 371.408 4.389 0 40 FIAB COc1ccc(-c2nnc3sc(Cc4ccccc4Cl)nn23)cc1 8715083 NUYYRLLLQAVUHD-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1 8751889 DEYHJEFLGCFULE-CYBMUJFWSA-N 357.262 4.261 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)[C@H](NC(C)=O)C(C)C)sc2C)cc1 8778123 NAWHCDHHCBYRDB-QGZVFWFLSA-N 373.522 4.170 0 40 FIAB O=C(NCc1ccccc1Cl)c1cccc(NC(=O)c2ccco2)c1 8908593 UCBSYNZEVYCGJJ-UHFFFAOYSA-N 354.793 4.115 0 40 FIAB Cc1nnc(SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)s1 9146174 GUCSCFCOTXOXPD-LLVKDONJSA-N 359.303 4.483 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 9156639 WEBLLYMOKXMKRT-GOSISDBHSA-N 374.271 4.175 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)c1C 9455181 VPIIPYPTMMZBHL-NSHDSACASA-N 374.491 4.044 0 40 FIAB CCSc1nnc(NC(=O)c2cc(C3CC3)nc3ccccc23)s1 9751259 TYGSTNVFJYOMAK-UHFFFAOYSA-N 356.476 4.328 0 40 FIAB CCCSc1nsc(NC(=O)CSc2ccc(C)c(C)c2)n1 11164913 LCCZBBLGCINTGW-UHFFFAOYSA-N 353.538 4.388 0 40 FIAB CC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 11620650 YJTJEUOYEIYTQW-UHFFFAOYSA-N 371.868 4.193 0 40 FIAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NCCCn2ccnc2)c1C 12113345 ODFYLTCBKRKOQI-UHFFFAOYSA-N 360.465 4.020 0 40 FIAB O=C(CCn1ncc2ccccc21)NC1(c2ccc(F)cc2)CCCC1 12155390 AHBHZNQZCBROMM-UHFFFAOYSA-N 351.425 4.151 0 40 FIAB CCn1/c(=N\C(=O)c2ccccc2Br)sc2ccccc21 12180873 MTRKRQOKFFZMQB-FBMGVBCBSA-N 361.264 4.226 0 40 FIAB Cc1cccc(-c2cc(CC3(C(=O)N4CCCCC4)CCOCC3)on2)c1 12365649 GSYAELCRUMNWLQ-UHFFFAOYSA-N 368.477 4.002 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC(c2nc3ccccc3[nH]2)CC1 12520073 VLFICQBUSNOBGP-UHFFFAOYSA-N 362.458 4.192 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 12787197 MQUJJIDPHTWSQI-VXGBXAGGSA-N 369.412 4.364 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@H]1CCCC[C@H]1C(F)(F)F 12812062 GATBTVGJJWTSMR-PWSUYJOCSA-N 353.743 4.095 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cc2ccccc2o1 12980988 DOXQXKAIIAOSFF-AWEZNQCLSA-N 361.401 4.118 0 40 FIAB O=C(NCCc1ccc(F)cc1)c1ccc2nc(-n3cccc3)sc2c1 13655732 GXLCRYZENBFKCQ-UHFFFAOYSA-N 365.433 4.199 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(C(F)(F)F)cc1 13695885 QQXJDTUTIGIUFY-UHFFFAOYSA-N 374.362 4.257 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)NCCCc2ccccc2)c1 14118833 GXPFPZSOQSECQX-UHFFFAOYSA-N 364.445 4.233 0 40 FIAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2ccc(Cl)cc2)s1 14265945 ZBDCYCSWAPRTHY-UHFFFAOYSA-N 369.833 4.490 0 40 FIAB Cc1cc(-n2c(C)cc(C3=NN=C(Nc4ccccc4)SC3)c2C)no1 15404631 JELCCJFYHUZONE-UHFFFAOYSA-N 365.462 4.310 0 40 FIAB CNc1c(NC(=O)c2ccc(Cl)c(Cl)c2)c(=O)oc2ccccc12 16189467 WXRFWRMVGNVJBB-UHFFFAOYSA-N 363.200 4.394 0 40 FIAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)c1 19234732 FFNGBQDTGRSMIQ-OAQYLSRUSA-N 374.488 4.385 0 40 FIAB CC1(C)CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 19461211 VJYIDIHFEJATLQ-FQEVSTJZSA-N 372.553 4.167 0 40 FIAB CC(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688132 OGLKBCAIOXKVRY-QGZVFWFLSA-N 362.395 4.417 0 40 FIAB Cc1cccc([C@@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5[nH]4)c3C2)c1 19817369 DSNVMGMFHCPSHI-INIZCTEOSA-N 356.429 4.278 0 40 FIAB COc1ccc(OCC(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 20897419 FUWUTVNIIZXBAS-CYBMUJFWSA-N 374.506 4.320 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)c1 21800654 KOGLNJSUOSOTOD-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CC(C)C(=O)N1CCCc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 22504344 PTWHEEYJEINSDY-UHFFFAOYSA-N 355.413 4.405 0 40 FIAB FC(F)(F)c1nc(N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2n1 22800505 PELMAAKWDIJXSS-HNNXBMFYSA-N 372.394 4.335 0 40 FIAB CN1CCN([C@@H]2Cc3ccc(O)cc3Sc3ccc(Cl)cc32)CC1 22859648 HDUCYHDSWYYLFG-QGZVFWFLSA-N 360.910 4.041 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C1CCCCC1 22907058 RNBKOSDJJBUYNE-HXUWFJFHSA-N 352.478 4.076 0 40 FIAB CCCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc(C)c1C 23363224 ISXGSPJXLXEGQK-AWEZNQCLSA-N 356.495 4.390 0 40 FIAB COc1cccc(S[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 27662564 IHMRATJEMQIQMA-SFHVURJKSA-N 354.431 4.464 0 40 FIAB Cc1cccc(C)c1OCC(=O)NC[C@H](c1cccs1)N1CCCCC1 27741284 CYSXUVHXAYJOHY-GOSISDBHSA-N 372.534 4.087 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 30853588 HTPKQAGKYQSFRT-IERDGZPVSA-N 371.477 4.375 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)cc1 32610769 RQSJFOHTZZRJIP-SECBINFHSA-N 373.762 4.266 0 40 FIAB O=C(CCSc1ccccc1F)Nc1ccc(C(=O)N2CCCC2)cc1 32906518 DFHVLHSVZCUHLR-UHFFFAOYSA-N 372.465 4.183 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)C2(c3ccccc3)CCC2)cc1 33092510 YSLPROVAWLTHSJ-UHFFFAOYSA-N 350.462 4.019 0 40 FIAB OC1=NC(=S)S/C1=C\c1ccc(Oc2nc(Cl)ncc2F)cc1 33849924 PKOGHEYEGLEZMA-YHYXMXQVSA-N 367.814 4.391 0 40 FIAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)on1 36614334 VPRPKFPFNIDPBX-UHFFFAOYSA-N 373.416 4.155 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(OC)c1 40107074 JWLFZEICNUULKA-UHFFFAOYSA-N 368.364 4.283 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)n1 40110751 CBNTVAYMDXILEZ-UHFFFAOYSA-N 355.413 4.300 0 40 FIAB CC(C)[C@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccs1 40131600 MIIZMQWEUXXDBT-IBGZPJMESA-N 371.531 4.246 0 40 FIAB CC(C)N1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1ccc(F)cc1 40156428 NYDSUSNSECKAFH-LJQANCHMSA-N 350.397 4.191 0 40 FIAB CC(C)(C)c1n[nH]cc1CN(CCCn1ccnc1)C[C@H]1CC=CCC1 43277744 BKDILGHEBIMTPO-SFHVURJKSA-N 355.530 4.152 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3 47320722 QSHABUWIXPINJL-UHFFFAOYSA-N 373.412 4.461 0 40 FIAB Cc1ccc(NC(=O)NCC[C@H]2CCCO2)c(OCc2ccccc2)c1 58290322 VCQXGZPXEGJTGO-GOSISDBHSA-N 354.450 4.265 0 40 FIAB CN(C)C(=O)c1cccc(CSc2ncc(-c3ccc(F)cc3)[nH]2)c1 60427925 XDLIIZCNJPIHRM-UHFFFAOYSA-N 355.438 4.210 0 40 FIAB CN(Cc1nnc(-c2ccccc2)o1)Cc1ccc(Br)s1 69450750 LKKXBJWGVDZPSV-UHFFFAOYSA-N 364.268 4.193 0 40 FIAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70639977 UYMUGXUEEPCQGU-MRXNPFEDSA-N 369.408 4.037 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1OCc1ccccc1 72212063 WEPZOTQNVPPCGH-UHFFFAOYSA-N 370.449 4.148 0 40 FIAB CC(=O)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215556 OEZXSNNRZAYPIY-SFHVURJKSA-N 373.497 4.449 0 40 FIAB CC(C)[C@@H](OC(=O)CCN1CCCC1=O)c1c(Cl)cccc1Cl 89791419 WERMWCVEBAHBCW-QGZVFWFLSA-N 358.265 4.246 0 40 FIAB Cc1nc(C(=O)N[C@@H]2CCOC(C)(C)C2)c(-c2ccccc2Cl)s1 95476266 NVSHSLMYPQCXGB-GFCCVEGCSA-N 364.898 4.459 0 40 FIAB COC[C@H](Cc1ccccc1)N[C@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 95983706 WZWRUHLLHMZFMJ-XLIONFOSSA-N 367.468 4.228 0 40 FIAB COc1cc2c(cc1OC)CC(=O)N(Cc1ccc(C(C)C)cc1)C=C2 96115067 OYEZOUZLDDSJKP-UHFFFAOYSA-N 351.446 4.383 0 40 FIAB biogenic COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 102578861 JBHVJUIGZUBKLG-IIBYNOLFSA-N 372.428 4.352 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 103718598 IKLDAOCJYDLRLM-QGZVFWFLSA-N 366.461 4.166 0 40 FIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@@H](c2cccs2)CC1 219515759 AFIPIZUEEREXCT-CYBMUJFWSA-N 372.437 4.482 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC)N21 222659356 HAARGAYJLMNQEX-JEBQAFNWSA-N 369.490 4.078 0 40 FIAB CCCCOCc1cc(C(=O)NCc2ccc(OC)cc2)ccc1OCC 224724470 GTSNWTTVBMNHEY-UHFFFAOYSA-N 371.477 4.341 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225469658 IKGDZUHPHXVMJE-HNNXBMFYSA-N 353.491 4.169 0 40 FIAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1cccnc1 225611011 GWFQJKCERRTOQK-UHFFFAOYSA-N 351.928 4.345 0 40 FIAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1C 225850178 CXLFTARXIOQNOM-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB O=C(Oc1ccc(-c2ccccc2)nn1)c1ccc(Br)cc1 408531631 VLXALEFUAGJJTH-UHFFFAOYSA-N 355.191 4.125 0 40 FIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 408705900 PWKHLUYYNSQCRZ-HNNXBMFYSA-N 361.869 4.391 0 40 FIAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCCc2occc2C1 585083519 MEGQNLHNROYYTR-UHFFFAOYSA-N 371.437 4.446 0 40 FIAB O=C(NC[C@@H](c1ccsc1)c1ccco1)Nc1ccc2c(c1)OCO2 618257392 WWKYXMWCFFHDBK-AWEZNQCLSA-N 356.403 4.023 0 40 FIAB Clc1ccccc1-c1cc(CSc2n[nH]c(-c3cccnc3)n2)no1 1559363442 SHFCFWLZCUMSLR-UHFFFAOYSA-N 369.837 4.467 0 40 FIAB COc1ccc2oc(=O)c(-c3nnc(Nc4ccccc4F)s3)cc2c1 856285 LUSYTTMPFOHUIS-UHFFFAOYSA-N 369.377 4.203 0 40 FIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1Cl)C2 1369881 FABPAWUGIBMLHM-GJZGRUSLSA-N 351.947 4.422 0 40 FIAB O=C(c1ccccc1)c1nn(-c2ccccc2)c(=O)cc1-c1ccccc1 1581616 SRDKDQFRXJKIOF-UHFFFAOYSA-N 352.393 4.131 0 40 FIAB CSc1nnc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1 1614041 BMTADVJXMKQGMM-UHFFFAOYSA-N 366.657 4.323 0 40 FIAB CC(C)n1ccc2c(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cccc21 79190139 GSRDONGTRQHMLT-FXAWDEMLSA-N 353.510 4.217 0 40 FIAB biogenic Fc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Cl)cc32)cc1 4161666 MIXHIVXLTPDQNE-UHFFFAOYSA-N 350.784 4.308 0 40 FIAB CCC(=O)N(CCCN(C)C)c1nc(-c2ccc(Cl)cc2)cs1 4214927 IIPCEJKGOPTEBZ-UHFFFAOYSA-N 351.903 4.158 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)C34CC5CC(CC(C5)C3)C4)n2)c1 4943688 DLPZVKSRVZCJDC-UHFFFAOYSA-N 365.477 4.220 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1F)S[C@@H](C)C(=O)N2 6678874 TYSOTWSOYUJADZ-SCLBCKFNSA-N 367.449 4.483 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2F)o1 8709191 RRSQDHVCRWNWDT-UHFFFAOYSA-N 373.409 4.005 0 40 FIAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)CC)ccc3o2)cc1 724320 KJTXTIMZIMESPI-UHFFFAOYSA-N 369.446 4.117 0 40 FIAB Cc1cccn2cc(-c3cc4cc(Br)ccc4oc3=O)nc12 856318 AEWDTCBLNYSLIE-UHFFFAOYSA-N 355.191 4.179 0 40 FIAB COCCOCc1cccc(NC(=O)N(C)[C@H](C)c2ccc(C)cc2)c1 47592243 OJISFFUWTZJHID-QGZVFWFLSA-N 356.466 4.383 0 40 FIAB FC(F)(F)c1cccc(Nc2ncnc3c2nnn3Cc2ccccc2)c1 1035499 NBIIJHVMVIDEOP-UHFFFAOYSA-N 370.338 4.032 0 40 FIAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 1262896 AJRDZCHWQUIPNR-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 3196360 FVBAUKUFFVQENK-UHFFFAOYSA-N 351.402 4.061 0 40 FIAB O[C@]1(c2ccc(Cl)c(Cl)c2)C[n+]2ccccc2N1Cc1ccccc1 1294398 XFLFINVBZKJRQD-FQEVSTJZSA-N 372.275 4.146 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc(C(=O)OC)cc2)cc1 58003690 UGMFNRFXYUFSQP-LJQANCHMSA-N 368.433 4.241 0 40 FIAB CC[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 44014424 OEJIFJBLPHUOQI-KRWDZBQOSA-N 365.477 4.238 0 40 FIAB C[C@H](c1ccccn1)N(C(=O)c1cccc(OCc2cccnc2)c1)C1CC1 57514606 FJYIPHVEVSKBJA-QGZVFWFLSA-N 373.456 4.421 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](CC)c1ccccc1 3216347 JVEXFANQUMKIKL-IBGZPJMESA-N 353.462 4.487 0 40 FIAB CC[C@@H](C)Oc1cc(CNc2nncn2-c2ccccc2)ccc1OC 97165694 DDDZXODNNXVQME-OAHLLOKOSA-N 352.438 4.065 0 40 FIAB COc1ccccc1C(=O)NC(=S)/C=C1/N(C)c2ccccc2C1(C)C 3312746 NZZKHBAIOKVFPR-QGOAFFKASA-N 366.486 4.064 0 40 FIAB aggregator Cc1csc(C2CCN(C(=O)CCCOCCc3ccccc3)CC2)n1 58341640 XTGQXSPPHNDYEB-UHFFFAOYSA-N 372.534 4.197 0 40 FIAB O=c1cc(CNc2ccccc2Oc2cccc(F)c2)nc2sccn12 58368639 JOYICVNFCKKREH-UHFFFAOYSA-N 367.405 4.300 0 40 FIAB COc1ccc2oc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)c(C)c2c1 3352373 IREYGUOOJGOYIE-UHFFFAOYSA-N 363.369 4.417 0 40 FIAB Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(Cl)cc3)ccc12 2236614 XMSQWHMILZULMO-UHFFFAOYSA-N 357.793 4.081 0 40 FIAB CC(C)(C)NC(=O)CC1(C(=O)Nc2ccc(F)c(Cl)c2)CCCC1 36391020 YEBDZPKRPHJYAR-UHFFFAOYSA-N 354.853 4.283 0 40 FIAB CCc1cccc2c(C3=CCN(C(=O)c4ccc5c(c4)OCO5)CC3)c[nH]c12 36390867 KNHQKKJDUGHIMS-UHFFFAOYSA-N 374.440 4.389 0 40 FIAB CC(C)[C@@H](NC(=O)CN(C)Cc1ccccc1Cl)c1cccs1 11213686 UVMIWYKFGUEGPV-GOSISDBHSA-N 350.915 4.347 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12853450 IKAUTCVBHXSNBT-JTQLQIEISA-N 359.401 4.283 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)o1 3475045 MQGXJZUNRABWJL-UHFFFAOYSA-N 365.867 4.491 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)Nc3ccc(F)c(F)c3)ccc2c1 12943738 PMRZWEWHJQPDBA-UHFFFAOYSA-N 370.399 4.197 0 40 FIAB CCc1ccc(OCC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 12988206 JHOFLOUOIQUTSI-HXUWFJFHSA-N 369.461 4.009 0 40 FIAB COc1ccc(OC)c(NC(=O)CCCOc2ccc(Cl)cc2C)c1 4162988 MXRNSBIJHOXDBM-UHFFFAOYSA-N 363.841 4.463 0 40 FIAB CC(C)(C)c1cn2nc(N3CCC(C(=O)c4ccccc4)CC3)sc2n1 65475607 XNKOLKQPRCFFPY-UHFFFAOYSA-N 368.506 4.188 0 40 FIAB CC(C)(c1cccnc1)c1nc(-c2cc(Br)cs2)no1 96006882 IARLSCRYYOYOBW-UHFFFAOYSA-N 350.241 4.282 0 40 FIAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1nnc2ccccn12 5483374 YXJYCLAZXNEMQT-AWEZNQCLSA-N 368.868 4.072 0 40 FIAB O=S(=O)(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1F 5601563 NTIYAFHLHNPUHW-VAWYXSNFSA-N 354.406 4.192 0 40 FIAB O=C(O)c1cc(-c2ccccc2O)nc2n[nH]c(-c3ccc(Cl)cc3)c12 6733043 GVZWCVFBDVUSFW-UHFFFAOYSA-N 365.776 4.349 0 40 FIAB COc1ccc(-n2nc(Nc3ccccc3OC)c3c2CCCC3=O)cc1 9303445 BKNNMYSUKQKNFG-UHFFFAOYSA-N 363.417 4.152 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(OC)ccc23)cc1 15497228 BWADDVKZTOOZBO-HXUWFJFHSA-N 365.429 4.147 0 40 FIAB C[C@H](NS(=O)(=O)c1cccc(Br)c1)c1ccccc1Cl 7305143 FVIDTUJXMJKSEJ-JTQLQIEISA-N 374.687 4.142 0 40 FIAB CCCCOC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 7779218 QXMCBEATVPUFIO-UHFFFAOYSA-N 361.511 4.215 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(-c2nccs2)cc1 7990748 UPMLANMPSXDICT-UHFFFAOYSA-N 350.443 4.316 0 40 FIAB Cc1cc(C)n(CC(=O)Nc2cccc(CO[C@H]3CCC[C@H](C)C3)c2)n1 68776203 HKWJPZOYDCWUBK-YWZLYKJASA-N 355.482 4.234 0 40 FIAB Cc1cc(Br)ccc1NC(=O)CCc1ccc2c(c1)CCO2 68741292 DCHNWMNIWYVBIG-UHFFFAOYSA-N 360.251 4.264 0 40 FIAB O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1Cc1cccnc1 17075122 CPRQZIHDGPOUOP-UHFFFAOYSA-N 365.483 4.155 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccccc2C(F)(F)F)c1 27975021 OMMKZPNSHYIUBZ-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB Cn1cc(CNc2cc(C3CCCCCC3)n[nH]2)c(-c2ccncc2)n1 84314221 WJIHXHHNIMRVDK-UHFFFAOYSA-N 350.470 4.255 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502230 HVIZVCUDRUQZBQ-WDEREUQCSA-N 353.369 4.177 0 40 FIAB CC(C)[C@H](CNC(=O)C(C)(C)[C@H](O)c1ccc(O)cc1)c1ccccc1 95436655 BAGNJWRVOARSSP-VQTJNVASSA-N 355.478 4.008 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](Cc1ccccc1)C1CC1 95466640 NBOWIQICNHVCPE-GOSISDBHSA-N 372.896 4.206 0 40 FIAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1ccccc1C(=O)O 409336635 UIUHEFGZDWHWKM-UHFFFAOYSA-N 351.402 4.236 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 408678286 IGTKJPXRKATFNG-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cc1ccc(SCCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 75616429 HXGBAKBYWUAASR-UHFFFAOYSA-N 369.530 4.342 0 40 FIAB O=C(CSCc1csc(-c2ccco2)n1)NCc1cccs1 31420631 LLRBQLZGBRNKSF-UHFFFAOYSA-N 350.490 4.014 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C=O 72215070 YMBIMPAKXNMAFN-KRWDZBQOSA-N 361.486 4.307 0 40 FIAB COc1ccc(-c2nsc3c2NC(=O)C[C@H]3c2cccc(F)c2)cc1 66089826 UAHIDJBAXQSQDO-HNNXBMFYSA-N 354.406 4.432 0 40 FIAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C 223457167 PLHDOJWMHDMATE-QGZVFWFLSA-N 350.462 4.230 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccccc2OC)cc1Cl 225550003 VVLABBNTYYKDBD-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1Cl 223010879 QOPCJRVXCFLRCF-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)cc3C)n2)cc1 225563736 UKWPQJCBAXSVTO-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 44883714 WEOARKPUNKCPCM-YADHBBJMSA-N 359.425 4.041 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)cc1C 226243115 RQERBSHVKLFGGS-UHFFFAOYSA-N 364.239 4.097 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@@H](C)c1ccccc1F 40130379 YTHYYEONTVICSX-ZDUSSCGKSA-N 369.415 4.187 0 40 FIAB CSc1ccccc1C(=O)OC1CN(c2nc3ccc(F)cc3s2)C1 77100997 OIGJBHWQTVWUSA-UHFFFAOYSA-N 374.462 4.203 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cc1 225944862 OUBNQIXSFYASPX-UHFFFAOYSA-N 353.418 4.265 0 40 FIAB Cc1c(-c2nnc3sc(CN4CCCCCC4)nn23)oc2ccccc12 96194443 CTIAKLDDRCDIPV-UHFFFAOYSA-N 367.478 4.283 0 40 FIAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)cc4)OCC[C@@]31C2 257330813 XQEJWAGKHZWFJU-DDRMBWNKSA-N 371.521 4.494 0 40 FIAB Cc1ccc(Oc2cccc(NC(=O)N(C)Cc3ncc[nH]3)c2)c(C)c1 1672459950 LYZDOUGVKBZBOS-UHFFFAOYSA-N 350.422 4.483 0 40 FIAB O=C(Cc1cccc2ncccc12)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 1149851670 MAMRUFLNYAOFLF-UHFFFAOYSA-N 364.355 4.084 0 40 FIAB COc1ccc2cc(C(=O)NC[C@](C)(OC)c3cccc(Cl)c3)[nH]c2c1 96392721 YYQPUFPNKNHMRJ-FQEVSTJZSA-N 372.852 4.122 0 40 FIAB CN1CCC(N(C(=O)c2cnc3c(F)cccc3c2)c2ccccc2)CC1 658707855 KYAVHYKYAHJAIV-UHFFFAOYSA-N 363.436 4.115 0 40 FIAB C[C@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccc2ccccc2c1 47049246 DVCHIXHVNWSCRY-HNNXBMFYSA-N 356.425 4.101 0 40 FIAB O=C(CCc1ccco1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979295 NCZQYJPPHAWILP-UHFFFAOYSA-N 358.781 4.350 0 40 FIAB O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1Cl 90485687 DONWOQLGJZDYOK-UHFFFAOYSA-N 352.626 4.153 0 40 FIAB O=C(C1=NN[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1)c1ccccc1 5004963 QXKMCRAEMKBFGP-PMACEKPBSA-N 354.409 4.069 0 40 FIAB C[C@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 5038142 QQSZHYYYVJSKSZ-VIFPVBQESA-N 369.273 4.212 0 40 FIAB COc1ccc(CN(Cc2ccncc2)Cc2ccccc2F)c(OC)c1 13989831 TXTWTTAKRHLNPV-UHFFFAOYSA-N 366.436 4.440 0 40 FIAB Cc1ccc(C2(O)CCN(Cc3[nH]c4ccc(F)cc4c3C)CC2)cc1 19208583 PGEBEJIDJYEGFH-UHFFFAOYSA-N 352.453 4.407 0 40 FIAB C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O 4026836 YJPIDPAGJSWWBE-PEXPKUBFSA-N 372.461 4.025 0 40 FIAB biogenic O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 5938057 FKXBXMUOIRQELO-UHFFFAOYSA-N 373.452 4.410 0 40 FIAB CN(C(=O)c1ccc(OCc2cccnc2)cc1)[C@@H]1CCc2ccccc21 29822246 SNSLSDQTFCLVBI-JOCHJYFZSA-N 358.441 4.420 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)n2)o1 4174136 BUBLXQOMQFJGGH-UHFFFAOYSA-N 352.371 4.070 0 40 FIAB CN(c1ccccc1O)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 15109675 LNNCZMKTUWLDJP-UHFFFAOYSA-N 366.653 4.178 0 40 FIAB COc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1OC 19568132 RBMTXDIUEFCTNZ-OAHLLOKOSA-N 360.504 4.295 0 40 FIAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 16032453 VXZQZCBQALHONX-PIPMEXSNSA-N 369.461 4.187 0 40 FIAB biogenic Cc1noc(CSc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 40042979 WEKINPYRTBUFDQ-ZDUSSCGKSA-N 353.447 4.161 0 40 FIAB O=C(NC1CCCCCCC1)c1cc(=O)c(OCc2ccccc2)co1 40288396 XEMFVHXTBYADCU-UHFFFAOYSA-N 355.434 4.062 0 40 FIAB COc1ccc(C(=O)CSc2nc(CCC3CCCC3)n[nH]2)cc1F 31797386 HCTYZKZEOYYTME-UHFFFAOYSA-N 363.458 4.050 0 40 FIAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20724930 DZEHTXKEVVKZDA-INIZCTEOSA-N 366.808 4.375 0 40 FIAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(C(F)(F)F)cc1 102148438 IMMIBVVDQIFTAZ-AVGNSLFASA-N 355.356 4.013 0 40 FIAB COc1ccc(CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 2634372 RYCPMIBDNIXNSO-UHFFFAOYSA-N 360.409 4.331 0 40 FIAB CC[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5O)nc4c23)C1 2787434 STKFLJDBPDKSMD-NSHDSACASA-N 350.447 4.227 0 40 FIAB C[C@@H]1CCCCN1C(=O)CSc1nc(C(C)(C)C)nc2ccccc12 1342471 HHRBBEGSHDKEDT-CQSZACIVSA-N 357.523 4.420 0 40 FIAB Cc1sc2ncnc(N[C@H](C)c3ccc4c(c3)CCC(=O)N4)c2c1C 76832423 QRHQMAYUDCHERN-LLVKDONJSA-N 352.463 4.366 0 40 FIAB Cc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n(C2CC2)c1C 32894102 UTHCBRIZFRVSBB-GOSISDBHSA-N 355.507 4.121 0 40 FIAB COc1ccc(NC(=O)c2cccc(C)c2OC)cc1Br 6924723 DNJWWRROAMDINN-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 9063082 QLZBPMDUPGKWES-HXUWFJFHSA-N 364.533 4.345 0 40 FIAB CN(Cc1noc(C2CCOCC2)n1)c1ccccc1Oc1ccccc1 104685342 UCLQLGQVRSXPNN-UHFFFAOYSA-N 365.433 4.392 0 40 FIAB Cc1cccc(Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 55050444 WMYKJIAQIUZCNN-UHFFFAOYSA-N 358.488 4.081 0 40 FIAB CN1CCc2c(c3c(n2C)CCN(C)[C@@H]3c2ccccc2)[C@H]1c1ccccc1 1243995 RXOZEZKDLQNAGD-JWQCQUIFSA-N 371.528 4.180 0 40 FIAB O=C(CCCc1cccs1)N1CCC(c2nc3ccccc3[nH]2)CC1 12581883 SGOODUAQUOCROE-UHFFFAOYSA-N 353.491 4.353 0 40 FIAB CCOC(=O)[C@@H](C)Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 1400331 WNKAFSWFVKTRCZ-LLVKDONJSA-N 364.854 4.031 0 40 FIAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@H](Cc1ccccc1)c1ccccc1 25623018 LDXILPTZGPEXHN-QGZVFWFLSA-N 373.378 4.002 0 40 FIAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1OC 20456371 HSEKALHXHLHKRF-OAHLLOKOSA-N 357.450 4.083 0 40 FIAB COc1ccc(NCN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)cc1 107955672 DHFGSEQJGITWSA-WCTLISOUSA-N 366.442 4.357 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cccc(CN2CCOCC2)c1 110676620 HPEGSGAHKZRUIL-UHFFFAOYSA-N 372.468 4.023 0 40 FIAB Clc1ccc([C@@H]2CN(Cc3nc(-c4ccsc4)no3)CCO2)cc1 48287481 JLFOWMSNJBSICS-HNNXBMFYSA-N 361.854 4.025 0 40 FIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1nnc(-c2ccccc2Cl)s1 58195014 KPWZCZPHQLQRLT-MRVPVSSYSA-N 362.842 4.206 0 40 FIAB NC[C@H]1CC[C@H]([C@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 100750253 CXXNKXDSYMRXMQ-MRUHUIDDSA-N 363.461 4.064 0 40 FIAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccccc1Br 10339645 PFLXRHJFZSULIN-QGZVFWFLSA-N 359.267 4.225 0 40 FIAB O=C(c1ccccc1NC(=O)C1(c2ccccc2)CCCC1)N1CCCC1 22467653 WFHSQWKPGAWUIH-UHFFFAOYSA-N 362.473 4.373 0 40 FIAB Cc1ccc(CN2C(=O)[C@](O)(c3c[nH]c4ccccc34)c3ccccc32)cc1 2227337 WVMPDUKKWUPZKN-XMMPIXPASA-N 368.436 4.259 0 40 FIAB O=C(Cn1ccc2ccc(Br)cc21)NCCCc1ccccc1 36353658 NVIWMGGJEFGHCX-UHFFFAOYSA-N 371.278 4.153 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CC1 3353181 WFRCIZAUXOUZPE-UHFFFAOYSA-N 363.244 4.067 0 40 FIAB CC(=O)Oc1cc(C)c2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c1 2357508 LZDLMWBWSZMGKS-UHFFFAOYSA-N 374.396 4.188 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(C)c1 36617409 RYJSNNMIDGWURE-UHFFFAOYSA-N 363.373 4.361 0 40 FIAB O=C(NC1CC1)[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 12865417 IWTSYXMGPASMCB-INIZCTEOSA-N 353.315 4.243 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1Cl 13019427 VQQVVONDCACSKV-CYBMUJFWSA-N 362.882 4.201 0 40 FIAB CSc1ccc(Cl)c(C(=O)N[C@H](CC(=O)O)c2ccc(C)cc2)c1 13178878 PMLDZRNKGPRGMI-MRXNPFEDSA-N 363.866 4.316 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(C(F)(F)F)cc1 49006227 IVXMPRGJXOVVJD-UHFFFAOYSA-N 365.380 4.191 0 40 FIAB O=C(N1CCCCC1)C(c1ccccc1)(c1ccccc1)N1CCCCC1 63804847 CLPWRIHCPPBQNO-UHFFFAOYSA-N 362.517 4.429 0 40 FIAB Sc1nnc(CNc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 26475733 QTTFQJPXXRQMNT-UHFFFAOYSA-N 351.262 4.475 0 40 FIAB Cc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c(Cl)c1 4664835 USRAHLQDHSJNHO-UHFFFAOYSA-N 362.926 4.222 0 40 FIAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccccc2OC)cc1 6629095 ZSLWCKSPWQSYQN-UHFFFAOYSA-N 358.463 4.461 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)O)c1 4825633 JNBJCUJCTGTLSM-JTQLQIEISA-N 368.216 4.406 0 40 FIAB CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)cc1 8917559 OTQJIYKXOLPHNZ-UHFFFAOYSA-N 351.406 4.476 0 40 FIAB Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(O)c1 7284985 PFQVPJWDIQAGHU-UHFFFAOYSA-N 352.415 4.267 0 40 FIAB O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 67611313 KSUGGUQQCHUTQL-FXAWDEMLSA-N 360.461 4.008 0 40 FIAB O=C(CSc1ccccc1F)NCC1(N2CCCCC2)CCCCC1 7652045 QVSKZKXWTUBLCH-UHFFFAOYSA-N 364.530 4.223 0 40 FIAB Cc1cccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 7688077 BVGATMIZPGBFNR-UHFFFAOYSA-N 371.487 4.156 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1nc2ccccc2s1 7689031 PMBSBJAIZDBNDD-UHFFFAOYSA-N 363.845 4.159 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1 7702402 ZXIFXQVEMKKORX-SFHVURJKSA-N 361.463 4.264 0 40 FIAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccccc2SC)n1 68492485 SUSKHAKEQZRDMQ-UHFFFAOYSA-N 353.447 4.164 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Sc2ccccc2Cl)cc(OC)c1 16481681 KYFNCEAYYALDGV-LLVKDONJSA-N 351.855 4.477 0 40 FIAB CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2C2CCCCC2)cn1 70006827 KLAMKALXTCUGDO-LJQANCHMSA-N 358.530 4.182 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72324573 KYEOKOAXCCAWAM-UHFFFAOYSA-N 363.848 4.361 0 40 FIAB biogenic O=C(COC(c1ccccc1)c1ccccc1)N[C@H]1CC(=O)c2ccccc21 95467873 OQBJTNZLOHNCRR-NRFANRHFSA-N 371.436 4.237 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Oc3c(C)cccc3C)CC2=O)cc1Cl 408650734 BJRZNULSGVWTAT-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB COc1ccc(S[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 25033434 ASEGLENDFDDTAU-LBPRGKRZSA-N 353.451 4.059 0 40 FIAB Cc1c(OCC(F)(F)F)ccnc1CSc1nc2cc(O)ccc2[nH]1 65742916 KLUQLARNZLTQBV-UHFFFAOYSA-N 369.368 4.205 0 40 FIAB in-vitro O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(O)cc1O 408841913 HFGQAJVNZJVSJF-KPKJPENVSA-N 371.801 4.310 0 40 FIAB Cc1ccc(CNC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)cc1 35312471 ZAJMNAGACBAIPF-IBGZPJMESA-N 365.454 4.271 0 40 FIAB COc1ccc(OC)c(-c2nc(COc3ccccc3C=O)c(C)o2)c1 39321204 DDGJFXOKEIBXIV-UHFFFAOYSA-N 353.374 4.059 0 40 FIAB CC1CCN([C@@H](CNC(=O)/C=C/c2cccs2)c2cccs2)CC1 33028232 CZOMGRXCMLGTDW-LXXRFIIISA-N 360.548 4.412 0 40 FIAB Cc1ccc(CCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)s1 79395520 FQLBTMGNFNFIQW-UHFFFAOYSA-N 356.491 4.254 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 35289610 YJBBMRQOSOLNCM-QGZVFWFLSA-N 357.841 4.283 0 40 FIAB COc1ccc(C(=O)c2c(Cl)ncnc2Cl)c(C(F)(F)F)c1 75629419 QDELQDTYZKHHLQ-UHFFFAOYSA-N 351.111 4.042 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c1C 225473375 QLIJLIVDIZPLMW-CYBMUJFWSA-N 360.454 4.358 0 40 FIAB C[C@H](NC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1cccc(Cl)c1 44141435 CYMKDAIBVSIVGZ-AWEZNQCLSA-N 371.868 4.459 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2sncc2c1 223003583 HGUKSXPQLHULTD-UHFFFAOYSA-N 368.867 4.149 0 40 FIAB CSc1cccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)c1 225814156 JGAUFCPRBQTHCR-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223699109 RPXWNMXCIIJKDK-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(F)cc2)c1 225548032 PGWHFVGKLVJRCH-UHFFFAOYSA-N 374.481 4.230 0 40 FIAB COc1ccc2cc(S(=O)(=O)Nc3cccc(SC)c3)ccc2c1 225321598 LKPQMWXNTVIVOJ-UHFFFAOYSA-N 359.472 4.371 0 40 FIAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224950400 YYQWPRDAEPYCCW-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB O=C(Nc1cccs1)N1CCC(c2nnc(-c3ccco3)s2)CC1 49371864 GTUHOJUXDSTDJM-UHFFFAOYSA-N 360.464 4.271 0 40 FIAB CCOc1ccccc1NC(=S)N[C@@H](C)COc1ccc(C)c(C)c1 225789402 PTQPUUYZSSDPBH-INIZCTEOSA-N 358.507 4.456 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225162925 VOCOWBJKARXIRD-AWEZNQCLSA-N 370.474 4.358 0 40 FIAB O=C(CCc1c(Cl)cccc1Cl)NCCCN1CCCCCC1 225353350 VLKOCGPQYLRFTB-UHFFFAOYSA-N 357.325 4.308 0 40 FIAB O=C(c1nccc2ccccc12)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257288182 PTFTWAACSWZBPQ-WMQCIHAUSA-N 358.441 4.164 0 40 FIAB Cc1sc(CN[C@@H]2CC[C@@H]3CNC[C@@H]3C2)nc1-c1ccc(Cl)cc1 647791775 MTYXGNILSZQHOV-HLLBOEOZSA-N 361.942 4.250 0 40 FIAB CC(C)(C)c1ccc2cc(C(=O)N3CCC(c4cc[nH]n4)CC3)[nH]c2c1 606386137 REKSIUJAIRIKPX-UHFFFAOYSA-N 350.466 4.208 0 40 FIAB COC1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 96104463 YUDFKEWQJIAJHW-UHFFFAOYSA-N 350.418 4.300 0 40 FIAB COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1cc(Cl)nc2ccccc12 1638386770 JUTPOOYXYXVCBV-GHTZIAJQSA-N 366.848 4.357 0 40 FIAB O=C(COc1ccc(OCc2ccccc2)cc1)NCc1ccc(F)cc1 5062607 ZOKKHDQUULCEAL-UHFFFAOYSA-N 365.404 4.100 0 40 FIAB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 14258095 KZJZBSMOBXZDPQ-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl 16082890 YQSKYFYLKJOQMT-CVEARBPZSA-N 350.245 4.294 0 40 FIAB O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)C[C@H]21 19402285 YWJIXKXTGQDNBG-KHYOSLBOSA-N 363.288 4.118 0 40 FIAB C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)c1nc2ccccc2s1 19459811 VFOWKFCUTDVYIE-SJKOYZFVSA-N 373.909 4.430 0 40 FIAB Cc1cc(C)c2nc(NC(=O)CC3CCN(C(=O)C(C)C)CC3)sc2c1 19748179 UQCKQOOLPNICOQ-UHFFFAOYSA-N 373.522 4.136 0 40 FIAB CC(C)/N=C1\S/C(=C/c2ccc(Br)o2)C(=O)N1C(C)C 6324960 ASXBILRABDZKRG-ZKEQRUKQSA-N 357.273 4.131 0 40 FIAB O=C(Nc1cccnc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 15435593 WKNZGTXJAZWOPE-UHFFFAOYSA-N 357.822 4.301 0 40 FIAB O=S(=O)(N[C@H](c1cccs1)C(Cl)(Cl)Cl)c1ccccc1 852252 NNNLFBBUKQKHSN-LLVKDONJSA-N 370.710 4.138 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Cl 5152731 CRZGYCKYRPRCCI-LJQANCHMSA-N 366.848 4.467 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(C(C)C)cc3)o2)cc1 10096438 WAPMFTLNBGSWCR-UHFFFAOYSA-N 351.406 4.050 0 40 FIAB CCSc1ccccc1C(=O)NC[C@](O)(c1ccco1)c1cccs1 225586381 PIICTMYSNDTGDP-IBGZPJMESA-N 373.499 4.119 0 40 FIAB Cc1c(C(=O)N[C@@H](C)c2ccccc2OC(F)F)oc2c1C(=O)CCC2 40133037 IKAJTWQNDPXXSZ-NSHDSACASA-N 363.360 4.199 0 40 FIAB O=C(c1cnc(-c2ccccc2Cl)s1)N(C[C@H]1CCOC1)C1CC1 50611759 MESQOIUKWVYSGY-GFCCVEGCSA-N 362.882 4.105 0 40 FIAB C[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 21306105 MDXGVSSBMWZMNY-SFHVURJKSA-N 372.468 4.101 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc2cc(F)ccc2[nH]1 32759830 GMTKSSGWQBQZSJ-UHFFFAOYSA-N 365.452 4.223 0 40 FIAB Cc1ccc(-c2nn3c(-c4cnn(-c5ccccc5)c4C)nnc3s2)cc1 632857 VKOHMEJFHRCJNG-UHFFFAOYSA-N 372.457 4.322 0 40 FIAB CC1(C)Cc2c(sc(NC(=O)c3ccccc3Cl)c2C(=O)O)CO1 857310 LECRDRRGZCZOKL-UHFFFAOYSA-N 365.838 4.203 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3F)c2C(N)=O)C1 921003 FUYYEJNJUCQIEJ-LLVKDONJSA-N 374.481 4.389 0 40 FIAB Cc1nc(SCC(=O)NC(C)(C)C)c2c3c(sc2n1)C[C@H](C)CC3 1326275 LOWPDHCNOQKZGZ-SNVBAGLBSA-N 363.552 4.131 0 40 FIAB COc1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccccc4[C@H]3C2)cc1 1453763 RITOAEVJJNZXKJ-IRLDBZIGSA-N 357.413 4.333 0 40 FIAB CCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CC(C)C 2206542 JYZMWSHWPNPPSO-UHFFFAOYSA-N 371.506 4.076 0 40 FIAB Cc1nc(SCC(=O)Nc2ccccc2)c2c3c(sc2n1)CCC3 3267198 RIDKIBVTVSWLFC-UHFFFAOYSA-N 355.488 4.219 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(Cl)c(Cl)c1 3314034 JGCNFBDNDIGNBY-LLVKDONJSA-N 364.228 4.128 0 40 FIAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl 3552933 PHDCMBOEVDOPDI-MGPLVRAMSA-N 352.217 4.011 0 40 FIAB COc1cccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)c1OC 3571655 WSPKPVGZWTUNNW-UHFFFAOYSA-N 367.445 4.059 0 40 FIAB COCCn1c(SCc2ccccc2)nnc1-c1c[nH]c2ccccc12 4138669 SFCDISZSAFJKEL-UHFFFAOYSA-N 364.474 4.365 0 40 FIAB COc1cc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc(OC)c1OC 4330957 NTRUHAVRIKZBLH-UHFFFAOYSA-N 372.446 4.191 0 40 FIAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(C(N)=O)cc1 4886606 ZPTOYTLBALYRDM-CYBMUJFWSA-N 350.443 4.058 0 40 FIAB Cn1c(NC(=O)c2ccco2)c(-c2ccccc2F)c(=O)c2ccccc21 5346382 DLHIOIDGAWBOTI-UHFFFAOYSA-N 362.360 4.190 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 5504466 IBYSNVYCQRZYIY-RGEXLXHISA-N 362.454 4.466 0 40 FIAB Cc1ccccc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 5938167 XWMZGTOHLPCMBQ-KRWDZBQOSA-N 350.447 4.101 0 40 FIAB CCOc1ccc(OCc2nnc(S)n2-c2ccc(Cl)cc2)cc1 6174019 LLOCAFRCJRZEJY-UHFFFAOYSA-N 361.854 4.187 0 40 FIAB CCN(CC)c1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1 6325578 UOPKDXSAZBOLFC-UHFFFAOYSA-N 372.490 4.035 0 40 FIAB CC[C@@H](C)NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 6485989 WNDXNNXQAHXFSE-GFCCVEGCSA-N 365.882 4.043 0 40 FIAB COC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 6914212 GZPBUENVXYQACH-SOFGYWHQSA-N 350.201 4.432 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c(C)c1 7510443 HNQZZZCTLIKEFW-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 7573755 VMFSJIIXURDIDL-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NC[C@H]1CCCO1 8156946 FKNRADGSJDDQIK-QGZVFWFLSA-N 366.436 4.202 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCCCC2=O)cc1 8272160 CBXQMJOXWQFDOR-UHFFFAOYSA-N 362.351 4.475 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2C)c(C)c1 8492820 OLLILOQFUYKJPT-SFHVURJKSA-N 357.519 4.429 0 40 FIAB Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9447695 CVZXYQZZXPWIER-MRXNPFEDSA-N 352.459 4.347 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 9726746 XGGVRDRBEPZDOO-GFCCVEGCSA-N 365.351 4.164 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)c1 10749853 UGIHCVQJTLZSSX-KRWDZBQOSA-N 365.477 4.178 0 40 FIAB C[C@@H]1CN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CCO1 11495602 OTNUAMOKQDFBQB-CYBMUJFWSA-N 364.367 4.310 0 40 FIAB Cc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)cc1F 11856864 AKZFPRKCUGYYMJ-UHFFFAOYSA-N 371.339 4.058 0 40 FIAB Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1C 11999863 VYTAPGLDYCPMKN-UHFFFAOYSA-N 364.445 4.230 0 40 FIAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1ccc(Cn2cccn2)cc1 12670625 JRBAYLAENRLKSV-UHFFFAOYSA-N 374.419 4.038 0 40 FIAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 12739466 OCUVLEPDYQJNOV-MRXNPFEDSA-N 366.461 4.344 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)Nc1ccc(Cl)cc1)N1CCCC1 12979051 DJDSWWIKWNIZBH-GOSISDBHSA-N 373.884 4.307 0 40 FIAB COc1ccc2cc(CN(CCCN(C)C)Cc3ccccn3)ccc2c1 13990773 CLESSYHMNXQQCT-UHFFFAOYSA-N 363.505 4.197 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C)o3)N(C)C)oc2c1 15860363 SRIDLXRLGKKKSS-INIZCTEOSA-N 354.450 4.292 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1ccc(Cl)cc1 15940929 RACHCTDZOUZQMW-UHFFFAOYSA-N 353.853 4.115 0 40 FIAB Fc1cc2c(c(CSc3nnc4sc5ccccc5n34)c1)OCOC2 16628418 ZMYXVXUFKLPLBP-UHFFFAOYSA-N 373.434 4.242 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H]1CC=CCC1 17974240 WENLKMBYBZOKKA-NSHDSACASA-N 374.790 4.112 0 40 FIAB COc1ccccc1CN1CCCC[C@@H]1c1n[nH]cc1-c1cc(C)no1 19120966 VNIDJMGYFLXELU-QGZVFWFLSA-N 352.438 4.109 0 40 FIAB CC(C)(Br)C(=O)Nc1nc2c(F)cc(Cl)cc2s1 20133197 MVNAWIHEUNEFFH-UHFFFAOYSA-N 351.628 4.201 0 40 FIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccnc1Cl 20143568 NNXHEILJVDEJSR-UHFFFAOYSA-N 363.200 4.393 0 40 FIAB Cc1ccc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3ccc(C)cc32)c(C)c1 20737351 IPKCCVNZPKWTIP-QFIPXVFZSA-N 372.428 4.027 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 24440675 MSOGWBQFANNFKF-UHFFFAOYSA-N 370.792 4.424 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F 27493179 YFINRNNPFZQNMB-PXAZEXFGSA-N 362.832 4.262 0 40 FIAB COc1ccc(CN(C(=O)c2ccc(C)cc2)c2ccccn2)cc1OC 27580263 KNMIVFVSKXUFMK-UHFFFAOYSA-N 362.429 4.254 0 40 FIAB O=C(NCc1cccs1)c1ccc(COc2ccc3c(c2)CCC3)o1 28226657 OXEMDGXACGFXNV-UHFFFAOYSA-N 353.443 4.339 0 40 FIAB CC(C)COc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 28293129 UYIFTQQXBZNVBD-JOCHJYFZSA-N 366.505 4.288 0 40 FIAB O=C(CCC(=O)N1CCC[C@H]1Cc1ccccc1)c1ccc2c(c1)CCC2 30764356 SZFWUOYKBPHSOX-QFIPXVFZSA-N 361.485 4.372 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1C 31710573 CWHZIPVDDUAVHP-KRWDZBQOSA-N 368.477 4.095 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CCOc2cccc(Cl)c2)c1 32712964 MSGNHAIMDZNKCW-ZDUSSCGKSA-N 363.841 4.004 0 40 FIAB Cc1cc2oc(=O)cc(CNc3cccc(NC(=O)C4CC4)c3)c2cc1C 32771634 SEDMXRCOYKELTF-UHFFFAOYSA-N 362.429 4.370 0 40 FIAB C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1cccs1 32797589 AOUPXEGCLUCMHS-MRVPVSSYSA-N 369.817 4.460 0 40 FIAB Cc1ccc(C)c(NC(=O)COc2cccc(-c3nc(C(C)C)no3)c2)c1 33012527 DPSVUVCEEZWZBN-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 39563637 KEXQQSJVNJQTKX-SFHVURJKSA-N 374.425 4.276 0 40 FIAB O=S(=O)(C/C=C/c1ccccc1)Cc1coc(-c2ccc(F)cc2)n1 40060004 AXLHIONGJZDSGP-QPJJXVBHSA-N 357.406 4.109 0 40 FIAB CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccncc1 40068922 RHFBHNGAQSFFAM-QFBILLFUSA-N 368.477 4.368 0 40 FIAB C[C@@H](c1ccccn1)N(C(=O)CCc1nc2ccccc2s1)C1CC1 40157278 ZWNMZXALEMWXMZ-AWEZNQCLSA-N 351.475 4.376 0 40 FIAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCO[C@H]1CCCC[C@@H]1C 47190155 YUIOFIXTCLCWFF-GUYCJALGSA-N 360.429 4.114 0 40 FIAB CCOc1ccccc1CCC(=O)N1CCn2cccc2[C@@H]1c1ccccc1 48354631 QCGYDCMPTZFYDR-DEOSSOPVSA-N 374.484 4.451 0 40 FIAB COc1ccc(CC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1F 49573853 CRPDVTGZWUELMG-GOSISDBHSA-N 369.440 4.157 0 40 FIAB COc1c(C)cnc(CN(C)C(=O)N[C@H]2CCc3c(Cl)cccc32)c1C 60560225 KRJGXRKIPBUMKQ-KRWDZBQOSA-N 373.884 4.189 0 40 FIAB O=C(/C=C/c1cccs1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635395 BMIOMWVPXXWUCQ-KXPUMZMLSA-N 367.392 4.380 0 40 FIAB CC(C)(C)c1noc(C2(c3cccc(Br)c3)CCOCC2)n1 71890035 JJCMEDRIMMLSPY-UHFFFAOYSA-N 365.271 4.226 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)cc1Cl 72329357 NPJXJAXJLIZSKU-UHFFFAOYSA-N 369.852 4.367 0 40 FIAB Cc1cccc(Nc2ccc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2)n1 72353323 OILYTJVHLROMOK-SFHVURJKSA-N 364.493 4.425 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1nc(-c2cccnc2)cs1 72402730 DLXCGKHPXRHPCF-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 84585337 XKWXVTRBMUPCON-BRWVUGGUSA-N 368.477 4.148 0 40 FIAB COc1ccc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1Cl 89457473 PATMKURMESDGRE-MRXNPFEDSA-N 374.916 4.046 0 40 FIAB COc1ccc2[nH]c(C)c(C(=O)NCC(C)(C)c3cccc(F)c3)c2c1 89534346 PPMZRXZYPRDVSG-UHFFFAOYSA-N 354.425 4.332 0 40 FIAB CCOCc1ccc(CNC(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1 95942260 MAIXDWWSSMPOAC-INIZCTEOSA-N 358.486 4.348 0 40 FIAB C[C@H](NC1(CNc2nc3ccccc3o2)CCOCC1)c1ccccc1 95959199 ISSCSADHZWUGBC-INIZCTEOSA-N 351.450 4.140 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCC(Oc2ncccc2Cl)CC1 96024823 JVDXTQPSCSTMJR-UHFFFAOYSA-N 356.809 4.165 0 40 FIAB O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(Cc1cccs1)CC2 96100260 NJZACTVQUDBXFM-HXUWFJFHSA-N 366.530 4.324 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(C)cc1 100032064 XYKWJGYFDUYXFC-UZLBHIALSA-N 354.475 4.328 0 40 FIAB O=C(c1ccc2ncsc2c1)N(Cc1cccs1)C1CCOCC1 206672914 OEZRRUCVUVMTRL-UHFFFAOYSA-N 358.488 4.179 0 40 FIAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 223745969 QHIBQOCGSHPOMB-MSOLQXFVSA-N 367.499 4.329 0 40 FIAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 223842989 URCKKGCGKCZJKT-SJORKVTESA-N 353.472 4.026 0 40 FIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1C 223937951 MBPNQPKALUTTFS-GOSISDBHSA-N 363.457 4.419 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2cc(C)ccc2C)cc1 224043008 VFZHLUIXMVUWSP-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccc(Cl)cc1 225110892 MHNZAUYXEAOKFB-HNNXBMFYSA-N 373.880 4.181 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225289036 STYZUGOQVSHHAM-QGZVFWFLSA-N 363.461 4.048 0 40 FIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225749393 WLPVDILFRQIEJN-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB CCOC(=O)COc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cc1 225942691 MPELCZXVUPIBAR-UHFFFAOYSA-N 369.461 4.144 0 40 FIAB COc1cc(C)ccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257332579 XXXUHPDJSFDRAK-XUKPVSMISA-N 357.494 4.022 0 40 FIAB COc1cc(C)c(C)cc1S(=O)(=O)NCc1ccc(-c2ccoc2)cc1 390830933 OKZQDXWLSCIFGC-UHFFFAOYSA-N 371.458 4.051 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@H](C)SCc3ccccc3)CC2)c1C 408565415 KPYXGMZAIDDKJC-IBGZPJMESA-N 368.546 4.274 0 40 FIAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 408979109 LJUKYMWKXLYNST-KRWDZBQOSA-N 360.841 4.464 0 40 FIAB C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)N=c1cc[nH]cc1 504150426 XVQRYYXZVBQHJH-HTAPYJJXSA-N 357.457 4.114 0 40 FIAB CCOc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccncc2F)cc1OCC 513381665 HKGAEUDHSYISID-AWEZNQCLSA-N 374.456 4.173 0 40 FIAB CC(C)c1csc([C@@H]2CCCN(Cc3ccc(C(=O)O)cc3F)C2)n1 582246912 UZFMPLLCRXEPHS-OAHLLOKOSA-N 362.470 4.483 0 40 FIAB Cc1ccc(CNc2cc3c(cc2F)NC(=O)CC3)c(-c2ccnn2C)c1 585080436 QXWCNZAGBXNBGX-UHFFFAOYSA-N 364.424 4.031 0 40 FIAB CCc1ccc([C@@H]2CCCN(C(=O)c3cccc4nc(O)oc34)C2)cc1 585082092 BFYVNLBCSFXXEP-MRXNPFEDSA-N 350.418 4.116 0 40 FIAB COC1(c2nc(-c3ccc(OC4CCOCC4)cc3)no2)CCCCC1 585084234 OXHMEOJYIQTDSH-UHFFFAOYSA-N 358.438 4.100 0 40 FIAB CC(C)N1CCC2(CC1)C[C@H](NC(=O)c1ccccc1)c1ccccc1O2 585105945 SQOONJOMXASDRZ-FQEVSTJZSA-N 364.489 4.183 0 40 FIAB COc1ccc([C@@H](O)CNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)cc1 1115927150 MUXLCKKBNNZTBR-NRFANRHFSA-N 367.489 4.090 0 40 FIAB COc1cccc(-c2ccc3c(N)c(C(=O)NC4CCCC4)sc3n2)c1 803923 RQQBNEHQGZCFFY-UHFFFAOYSA-N 367.474 4.227 0 40 FIAB Cc1c(Cl)cccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 869751 ZARVANQUGYORNB-UHFFFAOYSA-N 371.790 4.381 0 40 FIAB O=C(NC1CCCCC1)Oc1cc2oc(=O)sc2cc1Br 1067337 JXLPRCXUTYCISR-UHFFFAOYSA-N 372.240 4.038 0 40 FIAB CCN(CC)CCC[C@H](C)Nc1cc(OC)c2nc(C)ccc2c1OC 2028741 BVZKGKZHIUQDIN-HNNXBMFYSA-N 359.514 4.483 0 40 FIAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1c(F)cccc1Cl 2425961 QHSAVEOBMQMNLK-CFGKVWFZSA-N 356.828 4.116 0 40 FIAB Cc1cccc(C)c1NC(=O)CCCOC(=O)c1ccc2ncsc2c1 2627899 UCYJMOAMYOEUBC-UHFFFAOYSA-N 368.458 4.489 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2C)c1C 2642404 GZVSRSYSHUBTPX-UHFFFAOYSA-N 362.429 4.210 0 40 FIAB CCN(C(=O)COC(=O)c1cccc(C)c1O)c1cccc2ccccc12 3350664 GNCKDGXINOSTJL-UHFFFAOYSA-N 363.413 4.064 0 40 FIAB CCCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC 3577896 OKMRMQDBHHWSKU-GHRIWEEISA-N 351.402 4.219 0 40 FIAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](/C=C\c2ccccc2)N3)C1 4554020 XTRMRGJJTCELAK-JJEJIETFSA-N 353.491 4.284 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5358377 QRTVNROVYFQOOZ-QMMMGPOBSA-N 363.792 4.212 0 40 FIAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1c(Cl)cccc1Cl 6559245 KSSLGIZJLARACT-GFCCVEGCSA-N 358.290 4.293 0 40 FIAB CC(C)Sc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 6598744 YJAPSMNXNBFKSP-GFCCVEGCSA-N 364.536 4.016 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 7073294 VXTOBTIBRGAQTB-UHFFFAOYSA-N 364.489 4.475 0 40 FIAB COc1ccc(OC)c(NC(=O)CSCc2ccc(Cl)cc2)c1 7483590 SWHWRWIJNCOVTI-UHFFFAOYSA-N 351.855 4.229 0 40 FIAB CCOCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 7955238 HSJOQHLVPGRDKS-UHFFFAOYSA-N 368.260 4.469 0 40 FIAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(C)c1-c1ccccc1 8080582 YWXLDPWHLRELJB-MRCUWXFGSA-N 352.459 4.066 0 40 FIAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)C2CC2)c1 8383047 QJKMQZPPZAAMMU-UHFFFAOYSA-N 358.825 4.340 0 40 FIAB O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 8602256 NUOBHMAMBBCFRC-UHFFFAOYSA-N 350.418 4.096 0 40 FIAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnnn2-c2ccccc2C)cc1C 8981041 CLNVJGNLQUUJMQ-INIZCTEOSA-N 366.490 4.259 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C(=O)NCc2ccccc2)C(C)C)o1 9048611 KKUYEKDCGOAFAH-INIZCTEOSA-N 371.462 4.071 0 40 FIAB CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2cc(C)c(C)cc21 9421072 LVKJWPGDKYSIJH-UHFFFAOYSA-N 355.507 4.358 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1Cc2cc(Cl)ccc2O1 9502112 DNPSXUKRLIJCBN-SFHVURJKSA-N 371.820 4.324 0 40 FIAB Fc1cccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)c1 10433689 AHIYTALHLNOJGK-UHFFFAOYSA-N 361.424 4.464 0 40 FIAB O=C(Nc1cc(F)cc(F)c1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10491422 TZGZEITULRPPOY-UHFFFAOYSA-N 371.362 4.421 0 40 FIAB CCn1c(NC(=O)c2c(C)nn(-c3ccccc3)c2C)nc2ccccc21 10651106 JNWHHFKSBIUDCU-UHFFFAOYSA-N 359.433 4.111 0 40 FIAB CCCOc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 11913951 HSUUVOSWXRDXLZ-UHFFFAOYSA-N 357.410 4.385 0 40 FIAB Cc1cc(C(F)(F)F)c2c(NCc3cccc4cccnc34)n[nH]c2n1 12115914 CQRWZOSLMWDFGB-UHFFFAOYSA-N 357.339 4.445 0 40 FIAB CCC(CC)C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12241887 MANSJURCSXGBHV-GOSISDBHSA-N 352.482 4.105 0 40 FIAB O=C(Cc1cnc(-c2ccccc2F)s1)N1CCCc2ccccc21 12391608 LYKNQOFOXKDIPN-UHFFFAOYSA-N 352.434 4.471 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3Cl)cc2)cc1OC 12446101 GYMKYFLPGYGFAR-UHFFFAOYSA-N 371.824 4.104 0 40 FIAB biogenic,in-vitro Cc1ccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCC4=O)cc3)o2)cc1 12804527 XPPRVYMQIYWAPX-OAHLLOKOSA-N 362.433 4.345 0 40 FIAB Cc1ccc(-c2nc(CSc3nc4nc(C)cc(C)n4n3)co2)c(C)c1 12823608 XNUKAZSQZIIDEG-UHFFFAOYSA-N 365.462 4.305 0 40 FIAB O=C(CCn1ncc(=O)c2ccccc21)Nc1ccccc1-c1ccccc1 12866566 YNMVGLSRYZFTSP-UHFFFAOYSA-N 369.424 4.092 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1C(F)(F)F 12919668 UMHIRWFYDXKNLI-UHFFFAOYSA-N 359.351 4.163 0 40 FIAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@@H]1c1cccs1)O[C@@H](C)C2 14139024 ZMPBTSMQSCXUJF-WMWLRVSLSA-N 369.486 4.457 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1OC 14160360 YLIQFVXVGYKQHS-UHFFFAOYSA-N 372.446 4.114 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](C)c3cc4ccccc4o3)c12 14170073 MJCWKDPPWLEDHP-GFCCVEGCSA-N 374.444 4.391 0 40 FIAB Fc1ccccc1CN(Cn1nc(-c2cccs2)[nH]c1=S)C1CC1 14303496 OBCWDGGFYAFRDE-UHFFFAOYSA-N 360.483 4.430 0 40 FIAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccc(OC)cc2)s1 17252435 VICGVWLEQDQXQC-INIZCTEOSA-N 353.447 4.341 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCCC1=CCCCC1 17335244 UMZKLAWBAUSHQD-UHFFFAOYSA-N 359.857 4.329 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(F)cc2Cl)c(C)c1 17962195 PNXATDROPKOJOE-UHFFFAOYSA-N 362.832 4.115 0 40 FIAB Cn1nccc1-c1nc(NCc2ccccc2F)ncc1-c1ccsc1 19289248 KONJKHYEVRAODA-UHFFFAOYSA-N 365.437 4.357 0 40 FIAB CCOCCN1CCN([C@H]2c3ccccc3CSc3ccccc32)CC1 19369491 ZGIUFOVBQWVHDX-QFIPXVFZSA-N 368.546 4.036 0 40 FIAB O=C(NCc1nnc(-c2cccs2)o1)c1ccccc1-c1ccccc1 19374248 AIINJHZSQKMLTE-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB Cc1cc(C)cc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)c1 19928319 XIYHGGZIHYHRKW-UHFFFAOYSA-N 370.430 4.256 0 40 FIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 19943214 XCCHDHWJYUGYLZ-ZIAGYGMSSA-N 373.946 4.494 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1C 20143837 FJBUOKNBMLVSKU-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20738801 ANBTWTXWAARCPZ-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 22514411 QPIJAEJCSFYWQI-HZPDHXFCSA-N 368.477 4.183 0 40 FIAB CC(=O)c1ccccc1NC(=O)c1ccccc1SC[C@H]1CCCO1 26768343 WIFJUUWNFPYLMU-OAHLLOKOSA-N 355.459 4.413 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 27662206 MRUPSBYKNRCTOJ-OAHLLOKOSA-N 365.433 4.322 0 40 FIAB CCCOc1cccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 28225255 GJTKMASCZZNFCC-UHFFFAOYSA-N 363.461 4.208 0 40 FIAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2)[nH]n1)CC3 29210637 XSLFNJHIJOZXEG-UHFFFAOYSA-N 356.429 4.065 0 40 FIAB O=C(Nc1cccc(NC(=O)c2cc(Cl)ccc2F)c1)c1cccnc1 31966639 IFRFPGMZVSLIFT-UHFFFAOYSA-N 369.783 4.379 0 40 FIAB CCc1ccccc1NC(=O)c1c(-c2cccs2)nnn1CSC 32611798 PTTXXIQEQBHFAH-UHFFFAOYSA-N 358.492 4.142 0 40 FIAB CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 35289364 YCMWTUFAZXCLKQ-LJQANCHMSA-N 367.449 4.029 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1csc(Nc2ccccc2)n1 35596724 URDQCPQWRUWMBI-UHFFFAOYSA-N 362.458 4.341 0 40 FIAB O=C(NCC1CCN(C2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 38674572 KPSHUDIBGLNFDH-UHFFFAOYSA-N 369.431 4.482 0 40 FIAB CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 39757829 QUFUUOFFRNUSCS-UHFFFAOYSA-N 356.441 4.075 0 40 FIAB O=S(=O)(Nc1ccc(-c2cnco2)cc1)c1cc(Cl)ccc1Cl 40146675 VIPTVURXVWQJGF-UHFFFAOYSA-N 369.229 4.449 0 40 FIAB Cc1cccnc1-c1nc(=O)c2c(-c3ccc(F)cc3)c(C)sc2[nH]1 42781236 PQWONYNUBYOGNW-UHFFFAOYSA-N 351.406 4.470 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 44852959 TXLCCXYKXUHRTN-IBGZPJMESA-N 366.505 4.178 0 40 FIAB Cc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44909459 BICYUNVEMNAMQO-NRFANRHFSA-N 368.496 4.095 0 40 FIAB C[C@H](c1cccs1)N(C)CC(=O)N(C)Cc1c(F)cccc1Cl 53429226 ZFEPWVDSSUVRGJ-GFCCVEGCSA-N 354.878 4.192 0 40 FIAB CCCNC(=O)c1ccc(Cl)cc1NCC(=O)Nc1ccc(C)cc1C 55878135 NUUHVTGFPYJUKP-UHFFFAOYSA-N 373.884 4.147 0 40 FIAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccc(C(F)(F)F)cc1 57383335 AHGXZQZAKMPWIW-LBPRGKRZSA-N 352.356 4.003 0 40 FIAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 58017947 MBZQVUKZRHPLHB-YJBOKZPZSA-N 374.481 4.284 0 40 FIAB CN(C)c1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)nc1 58050867 ZBNSLHAASKVMBI-UHFFFAOYSA-N 358.854 4.177 0 40 FIAB Cc1cccc(C)c1OCCNC(=O)c1cc2c(nc3sccn32)s1 58378155 FPJCGWMFDSKWKC-UHFFFAOYSA-N 371.487 4.036 0 40 FIAB C[C@H](NC(=O)NCc1ccnc(N(C)C)c1)c1ccc(Cl)cc1Cl 58761374 UTRWVNPZARETTI-NSHDSACASA-N 367.280 4.015 0 40 FIAB O=C(Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1)c1nc(Cl)ccc1Cl 65623554 UFYXLSDLHHDFMN-UHFFFAOYSA-N 374.231 4.303 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1nccc2ccccc12 66856597 MDRHEQDRDDRNER-UHFFFAOYSA-N 369.428 4.082 0 40 FIAB CCc1oc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C 97102757 KEVFKFRQPGEKDF-YOEHRIQHSA-N 368.260 4.188 0 40 FIAB COC(=O)c1cc(NC(=O)COc2cc(C)cc(C)c2C)ccc1Cl 218966313 MRXHITZJSYRQSV-UHFFFAOYSA-N 361.825 4.069 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 224159136 NWPJBPMLBWNESC-OAQYLSRUSA-N 371.477 4.000 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224267591 HAGSTMPIKJSCSC-UHFFFAOYSA-N 369.505 4.483 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224269380 NWOXGWIHRQJAGD-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB CCOc1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc1Cl 224930093 UOQACNBYPAOCJD-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1C 225123519 MUXOXDJPNIERST-UHFFFAOYSA-N 356.447 4.042 0 40 FIAB CCc1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Br)cc1 226357176 DJAXGIIHVIEDSV-UXBLZVDNSA-N 374.234 4.362 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3C(=O)C[C@@]2(C)C1 253617594 XJADJSSOKJQZDB-RUIWMTBJSA-N 360.494 4.099 0 40 FIAB COc1ccc(-c2noc([C@H]3CCN(Cc4cccc(F)c4F)C3)n2)cc1 257268353 MLISXTHSKLQLPC-HNNXBMFYSA-N 371.387 4.013 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257343551 ZTLPKCUKABFGAM-HNNXBMFYSA-N 351.475 4.095 0 40 FIAB Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1Br 408623766 RXHCMBUPXJKFMW-UHFFFAOYSA-N 367.243 4.023 0 40 FIAB CCOc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 408626122 LZPWHKVOSHTDBZ-UHFFFAOYSA-N 374.289 4.358 0 40 FIAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(CC)cc2)c1 408627563 LSGWVWTYCOFJMZ-UHFFFAOYSA-N 369.490 4.114 0 40 FIAB CNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408976945 HEVLIYQQLNRLSD-UHFFFAOYSA-N 351.456 4.446 0 40 FIAB CCN(C(=O)c1c(-c2ccc(OC)cc2)noc1[C@H](C)O)C1CCCCC1 514288322 BFRAMCCEQXTXFD-AWEZNQCLSA-N 372.465 4.198 0 40 FIAB biogenic,in-vitro CN(Cc1cccc(O)c1)C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 524973289 RZLMNKHIGUDXLD-HOTGVXAUSA-N 365.351 4.053 0 40 FIAB O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(C2CC2)no1 578378054 LITQCGSIIMTKAL-UHFFFAOYSA-N 362.311 4.009 0 40 FIAB CC1(C)C[C@@H](NC(=O)N2CCOC[C@H]2c2ccccc2)c2ccccc2O1 675544071 PWDBDUNHAAJIMA-MOPGFXCFSA-N 366.461 4.072 0 40 FIAB CC(C)c1nc(N2CC[C@@H](CC(=O)O)C(F)(F)CC2)cc(C(C)(C)C)n1 1776383578 BOTWHNOHRUSUTG-ZDUSSCGKSA-N 369.456 4.224 0 40 FIAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC(=O)c1ccccc1 674533 IADSZNXWWDQLTQ-UHFFFAOYSA-N 373.619 4.452 0 40 FIAB CSc1nnc2c(n1)O[C@@H](/C=C/c1cccs1)Nc1ccccc1-2 688787 XJIATFXAZKNUNA-VFNNOXKTSA-N 354.460 4.166 0 40 FIAB COc1ccccc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 784672 OHIKMFFKUOXFGJ-UHFFFAOYSA-N 373.503 4.356 0 40 FIAB COc1ccc(Nc2nnc(-c3cc4ccccc4oc3=O)s2)cc1 846043 VGKGOUBTCSKOBU-UHFFFAOYSA-N 351.387 4.064 0 40 FIAB CCOC(=O)c1nc(Nc2ccc(N3CCCC3)cc2)c2ccccc2n1 956534 GNBNYQUZHDKFNN-UHFFFAOYSA-N 362.433 4.150 0 40 FIAB COC(=O)[C@@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 2077667 UNFRAJUOZJRASQ-JBAPTLGWSA-N 357.409 4.092 0 40 FIAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccn1 2427763 KRKDSHYGVCATLA-UHFFFAOYSA-N 360.442 4.005 0 40 FIAB CSc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 2499968 BNTADEQEEBBNIU-HOTGVXAUSA-N 357.870 4.195 0 40 FIAB O=C(c1cccc(CN2CCSCC2)c1)c1ccccc1C(F)(F)F 2515299 VBZXXGNGZLMGKI-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB CCc1nnc(NC(=O)c2oc3ccc(Br)cc3c2C)s1 2623141 QFYJIAHMWJHZOP-UHFFFAOYSA-N 366.240 4.170 0 40 FIAB Cc1sc2ncnc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2c1C 2653681 MWHSNVMZHICRSR-UHFFFAOYSA-N 365.817 4.118 0 40 FIAB C[C@H](Sc1ncn(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1 2745925 DYWLDXJLEFDQAC-LBPRGKRZSA-N 358.854 4.040 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 3363571 PYICDVDDADZRRP-UHFFFAOYSA-N 363.413 4.279 0 40 FIAB Cc1cc(C(=O)N2N=C3CCCCC[C@H]3[C@]2(O)C(F)(F)F)ccc1Cl 4200070 PKIHNEBJDSCOFE-WBMJQRKESA-N 374.790 4.291 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(C(F)(F)F)c1)C(=O)O 4241130 WXGUGSIKOXDJSI-KRWDZBQOSA-N 373.371 4.102 0 40 FIAB Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c1 4593172 ZMQGQDKSKVKHNZ-GQSCTRQFSA-N 359.425 4.407 0 40 FIAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1cc(C)on1 4849459 RQWBVUAQTIGWRH-UHFFFAOYSA-N 355.463 4.441 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(C)c1 4852783 MPYXNSQNAHIXIM-DYESRHJHSA-N 352.434 4.472 0 40 FIAB O=C(OCc1nnc(-c2ccco2)o1)c1cc2c(s1)CCCCCC2 5302097 NVKLHKAXMUOPBR-UHFFFAOYSA-N 358.419 4.407 0 40 FIAB COc1ccc(Cl)cc1N=P(c1ccc(C)o1)(N(C)C)N(C)C 5525883 HXENXPQCRWKGDE-UHFFFAOYSA-N 355.806 4.361 0 40 FIAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCc2ccccc21 6507698 PVQRLETUPWMEFU-RDTXWAMCSA-N 369.486 4.132 0 40 FIAB CC(C)(C)c1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1 6906445 DAQKHGFFEJMFDE-UHFFFAOYSA-N 368.506 4.128 0 40 FIAB Cc1ccc2c(NC(=S)NC(=O)c3cccc(Cl)c3)cccc2n1 7388579 VYTJTHJXHRRYOS-UHFFFAOYSA-N 355.850 4.323 0 40 FIAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)o1 7977584 DELPOAXSQZSGEJ-UHFFFAOYSA-N 351.402 4.094 0 40 FIAB O=C(Nc1cc(Cl)ccc1F)c1ccc(CSc2ncn[nH]2)cc1 7980231 ZQOMPBIOILZQHU-UHFFFAOYSA-N 362.817 4.142 0 40 FIAB CCc1ccc(C[C@@H]2SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 8085496 JTQFWXIMUVUGJC-IBGZPJMESA-N 369.486 4.243 0 40 FIAB O=c1cc(CSc2ncc(-c3ccc(Cl)cc3)o2)nc2ccccn12 8750369 OZYYXXBXXSQNFD-UHFFFAOYSA-N 369.833 4.295 0 40 FIAB Cc1ccc(-c2csc(NC(=O)Cc3cn4ccsc4n3)n2)c(C)c1 8752416 WCJHMLSCUUPAMD-UHFFFAOYSA-N 368.487 4.317 0 40 FIAB COc1ccc(-n2cnc3cc(NC(=O)COc4ccccc4)ccc32)cc1 9356222 RPEAXVYRGMSNLS-UHFFFAOYSA-N 373.412 4.052 0 40 FIAB Cc1cc(OCC(=O)Nc2cc3c(cc2Cl)OCCO3)ccc1Cl 10997875 NLOLNOGXPCHHQQ-UHFFFAOYSA-N 368.216 4.091 0 40 FIAB COc1ccc(CCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11073351 BNUHSVJPYQRFAN-UHFFFAOYSA-N 360.457 4.425 0 40 FIAB c1cnc2c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cccc2c1 11303119 DFJBPZZRZYTNKC-UHFFFAOYSA-N 363.398 4.306 0 40 FIAB O=C(NC1CC1)[C@H](Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1 11713554 OOFMUTKFNAKXMN-QGZVFWFLSA-N 364.367 4.060 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1N1CCCC1=O 11741277 RWTZCXSVBJTFNV-AWEZNQCLSA-N 372.852 4.181 0 40 FIAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2-c2ccoc2)on1 12252231 KHEPLNQJPYRGAG-UHFFFAOYSA-N 350.353 4.451 0 40 FIAB CC(=O)O[C@@]1(C#N)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12656133 UJVLVOCWWBXPQK-YGBDOONVSA-N 355.478 4.344 0 40 FIAB biogenic C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 12788018 DMNDUPZFTARMOY-SJKOYZFVSA-N 359.267 4.053 0 40 FIAB COc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccccc2)cc1 14609660 OLUADTJQTWIERF-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@@H](C)n2ccnc2C(C)C)C1 19237326 QDXXLWVVLPCAFZ-MOPGFXCFSA-N 369.509 4.194 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(COC(=O)C3CCCCC3)cs2)cc1 21173653 BVIPPGSFWVQRRP-UHFFFAOYSA-N 372.490 4.256 0 40 FIAB Cc1cccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3Cl)no2)c1 21806571 IYUHAKQIUHTKRS-GFCCVEGCSA-N 357.797 4.104 0 40 FIAB Cc1cc(C(=O)CCC(=O)Nc2ccc(N3CCCCC3)nc2)c(C)s1 25064605 QTJCIQSYADPSBF-UHFFFAOYSA-N 371.506 4.352 0 40 FIAB O=C(NCc1cn2ccccc2n1)c1ccc(-c2ccccc2F)s1 28875558 DWYXROHQNRZTAT-UHFFFAOYSA-N 351.406 4.132 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 30864638 XCZJHUMSJWLCKB-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1cc3cc(Cl)ccc3[nH]1)CC2 31240396 RMSKZEIUHVDASA-UHFFFAOYSA-N 370.836 4.037 0 40 FIAB CC[C@@H](C(=O)NCCCc1cn(-c2ccccc2)nc1C)c1ccccc1 32912091 BCDCELDVECAGON-JOCHJYFZSA-N 361.489 4.423 0 40 FIAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1Br 32914032 FRTLYENIHDBBNA-KBPBESRZSA-N 362.267 4.232 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N(Cc1ccco1)c1ccccc1 32915903 SEHNJJKSNSCNJT-UHFFFAOYSA-N 365.813 4.468 0 40 FIAB Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3cccc(C)c3)CC2)c1 35289450 UUFZWHNEBKSQQS-UHFFFAOYSA-N 365.477 4.038 0 40 FIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCC[C@H]3C)c12 36616455 FIAZNELWSXABFJ-GFCCVEGCSA-N 354.479 4.020 0 40 FIAB COc1ccc(NC(=O)c2cc(F)ccc2F)cc1OCc1ccncc1 40087962 AYVVJUJZUPFAMD-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)CCc1ccsc1 40108481 BRNJGAHSMHZIOI-GFCCVEGCSA-N 352.297 4.191 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 40111587 UFVJZICDOGQWSE-UHFFFAOYSA-N 350.422 4.035 0 40 FIAB Cc1cccc(CSC[C@@H](O)[C@H](O)CSCc2cccc(C)c2)c1 40545397 NMXNDLQCTBAEDB-WOJBJXKFSA-N 362.560 4.192 0 40 FIAB Cc1nn(CCc2ccccc2)c(C)c1NC(=O)c1cc2occc2n1C 40788048 KZQWUVVFHASAJX-UHFFFAOYSA-N 362.433 4.080 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 42022856 ZOWGCJCCCXRESI-QGZVFWFLSA-N 369.490 4.182 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(Br)o1 44318235 QCSVICAGIHGTCG-LLVKDONJSA-N 352.228 4.387 0 40 FIAB CN(Cc1nc(Cc2ccccc2)no1)Cc1ccccc1C(F)(F)F 46054217 ZQWJEXWAOHOYLT-UHFFFAOYSA-N 361.367 4.311 0 40 FIAB O=C1N[C@H](c2cc(Cl)ccc2OCc2cccnc2)Nc2ccccc21 46836215 GGFGWLSXNPRTGH-LJQANCHMSA-N 365.820 4.168 0 40 FIAB O=C(CN1CCC[C@H]1c1cccs1)N1CCC(Cc2ccccc2)CC1 48362229 PHPJRURMPUINKQ-FQEVSTJZSA-N 368.546 4.366 0 40 FIAB Cc1cccc(CN2CC=CC[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2C)c1 57776457 CLLOJAVFLTYAOB-GCJKJVERSA-N 366.480 4.217 0 40 FIAB S=C(NCCCOC1CCCC1)Nc1cccc(Br)c1 57815443 DFJFLCYZCJREDZ-UHFFFAOYSA-N 357.317 4.085 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CCNC(=O)c2c[nH]c3ccccc23)cc1 60868632 JKSZXHQWCAUTBD-UHFFFAOYSA-N 363.461 4.224 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1F)CO3 61997676 VOHVQJFXKYNGQK-UHFFFAOYSA-N 353.393 4.155 0 40 FIAB biogenic O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccnc1 64418939 KKUAFDGZQZBAAV-UHFFFAOYSA-N 372.403 4.255 0 40 FIAB OCc1ccc2nc(-c3cccc(I)c3)sc2c1 73740293 XSZHPPNVORIHTM-UHFFFAOYSA-N 367.211 4.060 0 40 FIAB Cc1cc(C)cc(OCCc2nnc(NC(=O)Nc3ccccc3)s2)c1 95116447 KMWFXEGRSIVYHN-UHFFFAOYSA-N 368.462 4.420 0 40 FIAB CC[C@@H](C(=O)NCCn1nc(-c2ccncc2)cc1C1CC1)c1ccccc1 96121652 BLKJVNOSMBRVBI-HXUWFJFHSA-N 374.488 4.133 0 40 FIAB CCn1c(SCCOc2ccccc2Cl)nnc1-c1ccncc1 98070245 ZTPZJFADXHNTQM-UHFFFAOYSA-N 360.870 4.185 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2C)cc1 103940495 WKAOWMZUJYSYOS-XMSQKQJNSA-N 366.505 4.408 0 40 FIAB C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 105634767 GPAQCAYSFDMSNQ-PCODUJHASA-N 354.519 4.217 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)c1 170583856 UPDPOWXCYBFCSH-UHFFFAOYSA-N 360.417 4.292 0 40 FIAB C[C@H](Nc1ncc(-c2noc(C(F)(F)F)n2)cc1Cl)c1ccncc1 205627278 PXPOKLHJJGXFKJ-QMMMGPOBSA-N 369.734 4.372 0 40 FIAB COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1N 216919819 RCJRGAKQZQRNGD-UHFFFAOYSA-N 352.619 4.237 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 222964936 AHDONPZXYSHBIH-PXNSSMCTSA-N 371.477 4.053 0 40 FIAB O=C(CSCc1ccccc1Cl)NCCOc1ccc(Cl)cc1 223402526 LJVOAUHAUHPIGJ-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)c(OC)c1 224350473 TZPPFGBHTNSHKG-LJQANCHMSA-N 369.461 4.379 0 40 FIAB COCCC1(NC(=S)Nc2ccc(Br)cc2)CCCC1 225846335 AJBWOAJKHOZDJI-UHFFFAOYSA-N 357.317 4.085 0 40 FIAB Cc1cc(C)n(C[C@@H](C)C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)n1 247981103 HFTQNSKJEYXYGC-OREJSRFESA-N 369.484 4.212 0 40 FIAB O=C(N1CCCCC1)C(F)(F)Sc1ccc(Br)cc1 256050562 FNMCTRUCRZGOFS-UHFFFAOYSA-N 350.228 4.147 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 408619057 FTHOAPKUYOCCIM-UHFFFAOYSA-N 371.487 4.138 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O 408706936 FJWIQWKZCGCJIA-WWDZGPRUSA-N 356.510 4.069 0 40 FIAB CCCCC1=NN(C(=O)c2ccc(Cl)c(C)c2)[C@](O)(C(F)(F)F)C1 409181522 CMQBMBWOORPGCB-OAHLLOKOSA-N 362.779 4.291 0 40 FIAB CCOc1cccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1 409340547 YXWKYCMHNHSADZ-JXAWBTAJSA-N 353.443 4.364 0 40 FIAB O=C(NC[C@H]1COc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 521109682 FMFKVCKVPIDVHU-HNNXBMFYSA-N 355.865 4.444 0 40 FIAB O=C(NCC1(c2cccs2)CCCCC1)N1CCC[C@H](c2cc[nH]n2)C1 606982346 FCQVRECZWQREJZ-INIZCTEOSA-N 372.538 4.262 0 40 FIAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3cscn3)cs2)nc1 643250498 IEVMSVGTOFGHDF-OAHLLOKOSA-N 357.508 4.384 0 40 FIAB Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2 706386 BJCOCXCUBZTMTR-NRFANRHFSA-N 358.397 4.495 0 40 FIAB Cc1ccc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 819254 PNGZNKKXRJSADS-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1 1015137 VOEUKFCBCKEDDO-HSZRJFAPSA-N 353.421 4.326 0 40 FIAB CC(C)(C)C(=O)[C@H](Oc1ccc(Cl)cc1)Oc1cccc2nonc12 1235374 OYXUJCKXSHSEAF-QGZVFWFLSA-N 360.797 4.275 0 40 FIAB Cc1ccc([C@H](OC(=O)c2cccs2)C(=O)NCc2ccccc2)cc1 1381180 UCXNMEMNOUUOHE-IBGZPJMESA-N 365.454 4.271 0 40 FIAB O=C(CSc1nnc(-c2ccc(Cl)cc2)s1)Nc1nccs1 1589231 HKITYWMSKRMEGH-UHFFFAOYSA-N 368.896 4.046 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(CC)cc2)cc1 2655115 YGAISAADYNRPDI-UHFFFAOYSA-N 356.491 4.122 0 40 FIAB CCN(CC)c1ccc(C(=O)OCC(=O)c2cc3ccccc3o2)cc1 3229417 ZJMIAHFCOYHQAT-UHFFFAOYSA-N 351.402 4.319 0 40 FIAB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2nc3ccccc3s2)C1=O 3288419 CJKFLPOQGZTHDE-FQEVSTJZSA-N 365.458 4.044 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2)n1 3456122 DCSXYIDQMKBJRG-UHFFFAOYSA-N 352.463 4.077 0 40 FIAB CCC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCN(CC)C2 4086923 SLISHYCMYDWJFK-UHFFFAOYSA-N 356.491 4.280 0 40 FIAB CCS(=O)(=O)c1ccc(NC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 4963667 LVBJWTWJPJEYHZ-QGTPRVQTSA-N 367.511 4.490 0 40 FIAB O=C(/C=C/c1cccs1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 4979981 PORKCZIJPGYFFV-VAWYXSNFSA-N 364.474 4.385 0 40 FIAB CCC(CC)C(=O)Nc1cc(C)cn(Cc2c(F)cccc2Cl)c1=O 5000903 DOGANSTXTPAJKA-UHFFFAOYSA-N 364.848 4.372 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(C2SCCS2)cc1 5584184 DVIYMNLMLUFMRK-BBRMVZONSA-N 351.537 4.239 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)ccc1OC(F)F 5611085 ZOASRMCIZFEHCP-UXBLZVDNSA-N 359.372 4.437 0 40 FIAB Cc1sc(NC(=O)[C@H]2COc3ccccc3O2)nc1-c1ccc(F)cc1 5674370 DRSPFXMHKWRZGF-MRXNPFEDSA-N 370.405 4.036 0 40 FIAB CC1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 5744346 UFHWJPHJIYULGH-UHFFFAOYSA-N 362.267 4.240 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(I)cc1 5750480 OEOGFQRHASKIMJ-UHFFFAOYSA-N 371.605 4.126 0 40 FIAB CC(C)(C)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 6214790 KLAQBKDTJGJWIS-QGZVFWFLSA-N 358.869 4.116 0 40 FIAB O=S(=O)(c1ccccc1C(F)(F)F)N1CC=C(c2ccccc2)CC1 6314056 ZSRFEBNEPLIIIY-UHFFFAOYSA-N 367.392 4.183 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 6650611 WBBFPMBZRJQQPI-UHFFFAOYSA-N 356.378 4.016 0 40 FIAB CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc21 7738418 KJBNIKXPKWMLIL-UHFFFAOYSA-N 350.447 4.146 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)c1 8356561 WKLPOMHHZVUWNP-HNNXBMFYSA-N 357.450 4.083 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1c[nH]c2ccccc12 8490703 GYFZWGFFTGUGCX-UHFFFAOYSA-N 360.369 4.171 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8499319 MXFIVDHMIFLCQT-QGZVFWFLSA-N 368.477 4.239 0 40 FIAB Cc1cc(-c2cc(C(=O)NC3CC3)c3cnn(C(C)C)c3n2)c(C)s1 9384531 OXKXCOUCGKMUKY-UHFFFAOYSA-N 354.479 4.250 0 40 FIAB O=C1CCc2cc(C(=O)Nc3ccccc3Cc3ccccc3)ccc2N1 9691006 ZNMORVYQQAVOLZ-UHFFFAOYSA-N 356.425 4.414 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9872129 ZFSYJGYHSNVKOY-INIZCTEOSA-N 358.825 4.480 0 40 FIAB C[C@@H](c1ccccc1)N(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 10030957 ZXCRAMBUWHUEGH-SJCJKPOMSA-N 374.893 4.363 0 40 FIAB COc1cccc(-c2nnc3sc([C@@H](C)Oc4ccccc4)nn23)c1 10311704 QWDLZEOSLXPMDI-GFCCVEGCSA-N 352.419 4.001 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 11636463 RTSPVFGARVWWKW-HNNXBMFYSA-N 371.433 4.058 0 40 FIAB Cc1c(O)c(-c2ccn(-c3ccccc3)n2)cc2c3c(c(=O)oc12)CCC3 11866510 JGZBFCMGTLZLKT-UHFFFAOYSA-N 358.397 4.148 0 40 FIAB Cc1[nH]c(SCC(=O)N(C)Cc2ccsc2)nc1Cc1ccccc1 12541416 OLOCZXXCIGQBMO-UHFFFAOYSA-N 371.531 4.121 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(OC(F)(F)F)cc1 12774251 JZRBOGHCKOGYAD-UHFFFAOYSA-N 368.336 4.232 0 40 FIAB COc1ccc(S(=O)(=O)N2CCCc3ccccc32)c(Cl)c1Cl 13669834 WKOOHHNZUZXLFQ-UHFFFAOYSA-N 372.273 4.144 0 40 FIAB CCOc1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl 13680545 GEQUJTMFFVGBGO-UHFFFAOYSA-N 360.262 4.334 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccccc3)c2C1 16024198 KXIYNOQCXNLNCT-MRXNPFEDSA-N 359.473 4.104 0 40 FIAB Clc1ccc2c(NCc3ccc(CN4CCOCC4)cc3)ccnc2c1 18061485 NXOLIDYFWZLBIS-UHFFFAOYSA-N 367.880 4.333 0 40 FIAB COc1cccc(CN2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)c1 19557979 WOIUKVITPVFVAA-IBGZPJMESA-N 366.465 4.417 0 40 FIAB Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2cc3ncccc3cn2)C1 19579560 NAJGYVSHORBJMC-MRXNPFEDSA-N 364.449 4.069 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC(C)C 20456575 FYBYEKRSSLSGDC-IBGZPJMESA-N 368.477 4.238 0 40 FIAB Cc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)c(C)cc4n3)n2)cc1 20633960 BXHMLWJGYHGBGA-UHFFFAOYSA-N 371.444 4.357 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(F)cc1 21782809 KOGKTNODHMZODY-FQEVSTJZSA-N 365.408 4.185 0 40 FIAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C)c1cc2ccccc2o1 22275794 UWWGUOGWOCTARW-FOIQADDNSA-N 370.493 4.331 0 40 FIAB Clc1ccccc1Cn1cc(CN[C@@H]2CCOc3ccccc32)cn1 22742372 IUCRJVGRQTVPKL-LJQANCHMSA-N 353.853 4.198 0 40 FIAB COc1ccc(CN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1F 23734588 QCZPMZPCJPMIJN-UHFFFAOYSA-N 354.425 4.297 0 40 FIAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC)c(C)c2)c1 27740816 WAVIEORLCXZENX-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)N(C)C)cc1 28290380 WUEBZDKNSBRARY-LJQANCHMSA-N 350.462 4.391 0 40 FIAB CCN(Cc1nc(-c2cccs2)oc1C)C[C@@H]1COc2ccccc2O1 31174690 FTIYIWWLBJBPII-OAHLLOKOSA-N 370.474 4.373 0 40 FIAB CCN(CC)CCCN[C@@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl 31938997 OFRXUNGYDUXSGN-HNNXBMFYSA-N 367.748 4.428 0 40 FIAB Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)N(C)C3CCCCC3)c2c1 32954567 BAYXUOOQYHLBBW-INIZCTEOSA-N 368.477 4.188 0 40 FIAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c1 33063882 JUAODZCRWGDDSF-UHFFFAOYSA-N 370.449 4.156 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 33616049 NSJJBXJMCAEZOV-LZQZEXGQSA-N 372.509 4.043 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccn(C(C)C)n3)cc12 36617841 GZOWBZXDPKIVKB-UHFFFAOYSA-N 365.462 4.425 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(COC)c2)cc1Cl 40090600 IUPCZCVGOPMKFB-UHFFFAOYSA-N 374.868 4.221 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ncccc2Cl)C1 40134937 JUIFLOPPHFPWMS-KRWDZBQOSA-N 357.885 4.000 0 40 FIAB O=C(Nc1ccc(NC(=O)c2ccoc2)c(C(F)(F)F)c1)c1ccoc1 40142385 VULSRGKJIAKZOS-UHFFFAOYSA-N 364.279 4.396 0 40 FIAB COc1cc(Cl)ccc1C(=O)NCc1cccc(Br)c1 43565452 ZRXKNZZQXJCOKS-UHFFFAOYSA-N 354.631 4.041 0 40 FIAB O=C(NCCSC1CCCC1)Nc1cccc(OC[C@H]2CCCO2)c1 44329462 OPGKOXSSRVDTSR-QGZVFWFLSA-N 364.511 4.042 0 40 FIAB Clc1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 49169807 CONIZEPHDNMJMJ-KRWDZBQOSA-N 353.853 4.303 0 40 FIAB biogenic,in-vitro CNC(=O)c1ccc(CN(Cc2csc(C3CCCC3)n2)C2CC2)cc1 58174279 HBILFZOUUFPWKU-UHFFFAOYSA-N 369.534 4.325 0 40 FIAB CCCc1ccc([C@H](NC(=O)c2ccc(-n3cnnc3)cc2)C(C)C)cc1 58218716 CUHLSDMPNXGBBU-OAQYLSRUSA-N 362.477 4.347 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)CCSc2ccccc2)n1N 84044292 RNBDKCXQEQYZND-LBPRGKRZSA-N 360.508 4.223 0 40 FIAB C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](CN2CCCCC2)C1 84667735 JVJPAORAUCDFDI-HZPDHXFCSA-N 374.916 4.259 0 40 FIAB O=S(=O)(c1c(F)cccc1F)N(Cc1ccoc1)Cc1cccs1 90612199 AGCUDOIGEQIYBM-UHFFFAOYSA-N 369.414 4.010 0 40 FIAB CCC(=O)N1CCC(Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)CC1 95940889 DKZYFMIKACSLDD-LJQANCHMSA-N 361.505 4.263 0 40 FIAB CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1nc2ccccc2[nH]1 96232357 FCUGCGAKPZBYRJ-FQEVSTJZSA-N 373.460 4.091 0 40 FIAB c1ccc(CN[C@H]2CC[C@H]3S[C@H]2CC[C@@H]3NCc2ccccc2)cc1 105686944 LLRPUFMACFGFPY-MYGLTJDJSA-N 352.547 4.361 0 40 FIAB COc1ccc(-c2nsc(NC(=O)c3coc4ccccc34)n2)cc1 113048818 VGZPXYWRKDRBIU-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB C[C@@](O)(CNC(=O)c1sccc1-c1ccccc1)c1ccc(F)cc1F 114553530 KMHABLCMWZDURX-HXUWFJFHSA-N 373.424 4.331 0 40 FIAB Cc1cnn([C@H]2CCCN(C(=O)c3sc(C)nc3-c3ccccc3)C2)c1 171824553 FUHSGLFQHJPBIA-KRWDZBQOSA-N 366.490 4.101 0 40 FIAB CC1(C)C[C@@H](NC(=O)CSCc2ccc(F)cc2)c2ccccc2O1 219261478 DWCPDGJZSUEATC-QGZVFWFLSA-N 359.466 4.478 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)c1 222966399 DXLGZNMBYSZWMU-SFHVURJKSA-N 355.434 4.276 0 40 FIAB COc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1Cl 223641973 WHSCOVJRNULRJM-UHFFFAOYSA-N 355.821 4.311 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1 224335006 MUMNYHWCVREWAM-KRWDZBQOSA-N 369.530 4.382 0 40 FIAB C[C@H](Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 245226417 WBDLWPXLYBRVFY-RNHZEXENSA-N 359.425 4.138 0 40 FIAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 257297758 RISAPNFLRXDUMZ-HNNXBMFYSA-N 358.511 4.261 0 40 FIAB COc1ccc(CCNC(=O)N[C@H](c2ccsc2)c2cccs2)cc1 390826095 BLZFBFGCKJWPGW-GOSISDBHSA-N 372.515 4.450 0 40 FIAB O=S(=O)(Cc1ccccc1F)N[C@@H](c1ccsc1)c1cccs1 390826225 FUVXDPSALIVJHL-INIZCTEOSA-N 367.492 4.158 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(-c2ccoc2)nc1 390831552 SMHLFKHSTUNNGJ-UHFFFAOYSA-N 360.335 4.219 0 40 FIAB COc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1 408601639 AZRUSCWULYZECI-UHFFFAOYSA-N 363.369 4.469 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)c1 408656373 HQJQWGRHQLXDIP-QGZVFWFLSA-N 351.446 4.385 0 40 FIAB O=C(O)[C@@H]1CN[C@H](c2c(OCc3ccccc3)ccc3ccccc23)S1 408975294 ABNPSOQZILDMMS-ICSRJNTNSA-N 365.454 4.207 0 40 FIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409221402 PVQMCGPXJWWHDH-PILJQMSFSA-N 370.430 4.010 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3C)C(=O)[C@H]21)c1ccccc1 409367755 FHRYKVXQUUYFIO-MCEIDBOGSA-N 355.437 4.390 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=O)c1coc(-c3ccccc3Cl)n1)CO2 540631730 CWTXKOOFEYDVEJ-HNNXBMFYSA-N 354.793 4.167 0 40 FIAB O=C(NCC1(c2cccc(F)c2)CC1)c1cccc(Oc2ccncc2)c1 606795742 PHXOEKBFGPXZEI-UHFFFAOYSA-N 362.404 4.475 0 40 FIAB COC[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 1540172421 AAAPMDKSUOQRHY-OTWHNJEPSA-N 361.844 4.477 0 40 FIAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@H]1c1ccco1 629208 HIVJGSJOBIRQBU-IBGZPJMESA-N 371.483 4.383 0 40 FIAB CCCc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)OCC)cc2oc1=O 639743 VWLJZLPKXRWWEE-NSHDSACASA-N 352.814 4.038 0 40 FIAB Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)C2CCCCC2)cc1 857373 TYGHCFOBHZYMHG-QGZVFWFLSA-N 354.372 4.028 0 40 FIAB COc1ccc(NC(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1 1380314 LTTQQQFTFYVYIU-UHFFFAOYSA-N 368.412 4.053 0 40 FIAB Nc1c(-c2ccccn2)cnn1-c1nc(-c2ccc(Cl)cc2)cs1 1393607 ASFMGBQNPRYBMX-UHFFFAOYSA-N 353.838 4.293 0 40 FIAB O=C(CN1CCCC1)N1CCC[C@H](c2ccc(F)cc2)c2ccc(F)cc21 2033370 GYMSCQAXVNEANR-LJQANCHMSA-N 370.443 4.319 0 40 FIAB O=C(Nc1c(C(=O)O)oc2ccc(Br)cc12)c1ccccc1 2140548 NSWHQWACCSCVNZ-UHFFFAOYSA-N 360.163 4.146 0 40 FIAB biogenic CCCCCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21 2255072 OGZFQYALTZBXKN-UHFFFAOYSA-N 354.454 4.170 0 40 FIAB Cc1ccc([C@@H]2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1 2425936 QKLRONQNEKFYLN-SFHVURJKSA-N 355.441 4.392 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCCc3ccccc32)cc1 2661330 DACPBHPXOQGMKZ-OAQYLSRUSA-N 351.446 4.242 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSc2c(C)[nH]c3ccccc23)cc1 2718324 OVXGMMFXBZIHRA-UHFFFAOYSA-N 368.458 4.384 0 40 FIAB Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc2c(c1)OCO2 3208147 NMGKRCLVSYGIQL-UHFFFAOYSA-N 352.415 4.023 0 40 FIAB aggregator CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1 3351355 BSICEVPGQUSRRO-FQEVSTJZSA-N 366.505 4.055 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCN=C1SCc1ccc(Cl)cc1 4120074 XDBRPWUSMWBGHT-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(F)cc3)nc12 4359673 FEBDROGNLVWHLZ-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 4667073 GFHJMHWNHIFYFK-AWEZNQCLSA-N 359.491 4.133 0 40 FIAB O=C1NC(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)S1 4676017 JUOBMMSJIPCPHP-PDGQHHTCSA-N 364.426 4.044 0 40 FIAB CCOc1ccc(NC(=O)CC[C@H]2CC(=O)O[C@H]2c2ccccc2)cc1 5002240 LNTKWHMUQFZRFY-KKSFZXQISA-N 353.418 4.108 0 40 FIAB C[C@H]1CCc2c(sc3ncn4nc(COc5ccccc5)nc4c23)C1 5347774 LPVBXYFSHIAYGU-LBPRGKRZSA-N 350.447 4.043 0 40 FIAB CN1O[C@@H](COC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 5913922 PZEDNXMKKOWWMT-IAGOWNOFSA-N 365.351 4.239 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)o2)c1 6373934 AZJHXHSUDUCTFK-ZDUSSCGKSA-N 373.478 4.439 0 40 FIAB Cc1cc(=O)oc2cc(NC(=S)N3CCCc4ccccc43)ccc12 6399656 QBXNFDRQNZZQEM-UHFFFAOYSA-N 350.443 4.251 0 40 FIAB CCCCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7261047 SYEKPFJWCRJSNP-UHFFFAOYSA-N 373.449 4.190 0 40 FIAB Cn1cccc1[C@@H]1CCCN1CC(=O)NC(c1ccccc1)c1ccccc1 7853435 ZTRJWZHPKJSLPS-QFIPXVFZSA-N 373.500 4.068 0 40 FIAB Cc1nc2cc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)ccc2o1 8133167 KCBPZSGRBBYURF-UHFFFAOYSA-N 374.322 4.143 0 40 FIAB COc1ccc(-c2nnc(SCCC(C)=O)n2-c2ccccc2F)cc1 8393901 SWXDRSMVFYAANA-UHFFFAOYSA-N 371.437 4.153 0 40 FIAB CC(C)n1ncc2c(C(=O)NCCc3cccc(F)c3)cc(C3CC3)nc21 8428571 OXIBDDNDKUMQOC-UHFFFAOYSA-N 366.440 4.001 0 40 FIAB Clc1cc2c(c(CSc3nc(-c4ccccc4)n[nH]3)c1)OCOC2 8709181 GCOGJUNIUKBSCD-UHFFFAOYSA-N 359.838 4.284 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)Cc1csc(-c2cccs2)n1 9114162 XAADGINJBYBVMV-GFCCVEGCSA-N 358.488 4.300 0 40 FIAB COc1ccc(-c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 9329282 WKACGZALGRLFLX-UHFFFAOYSA-N 369.490 4.369 0 40 FIAB COc1ccc(-c2nnc3c4c5c(sc4ncn23)CC[C@@H](C)C5)cc1 9418693 QTRASRAHNPFCNB-LLVKDONJSA-N 350.447 4.139 0 40 FIAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccnc4)cc3)oc2cc1C 10120397 AKOKHVKKYYHXNG-UHFFFAOYSA-N 357.413 4.437 0 40 FIAB Cc1ccc(F)cc1NC(=O)C1=Cc2cc(Br)ccc2OC1 10368006 PFCOFEOBBAQMOP-UHFFFAOYSA-N 362.198 4.311 0 40 FIAB COc1ccc(-c2nc3cnccn3c2NC2CCCCC2)c(OC)c1 12113795 RWGYDWUTSQHTIU-UHFFFAOYSA-N 352.438 4.158 0 40 FIAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12241475 PMKDFRNPMMVOOX-UHFFFAOYSA-N 357.479 4.094 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2c(C)cc3oc(=O)c(C)c(C)c3c2O1 12297046 BSWHRZPRNRAKKZ-KRWDZBQOSA-N 364.397 4.433 0 40 FIAB biogenic COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2Cl)cc1 12790472 DXKGYQFSPCOQSM-SFHVURJKSA-N 362.832 4.263 0 40 FIAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 12998101 SUBRNKMTPGTDBM-INIZCTEOSA-N 364.898 4.021 0 40 FIAB O=C(O)C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 13178288 NQAYURYIHAMGOR-INIZCTEOSA-N 371.339 4.171 0 40 FIAB Cc1ccc([C@H](C)C(=O)N[C@@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 13227004 BYEJVGKORIPNKW-HRAATJIYSA-N 372.472 4.144 0 40 FIAB FC(F)(F)c1cccc(-n2nnnc2COc2cccc3ccccc23)c1 13629755 SJZSDOAHIWNMGG-UHFFFAOYSA-N 370.334 4.413 0 40 FIAB O=C1c2ccccc2[C@H](NCc2ccc(F)cc2)N1Cc1ccc(F)cc1 13895389 ZVOPMYIVMROSIG-OAQYLSRUSA-N 364.395 4.409 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)N[C@H]1CCOc2ccccc21 14069912 VHBUERPUAKRFBM-INIZCTEOSA-N 370.499 4.294 0 40 FIAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)cc1 14085215 ZCEIQEVWDJWPQY-UHFFFAOYSA-N 365.458 4.007 0 40 FIAB O=C(NCc1ccccn1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 17167591 BCHKNQPYYOVAIN-UHFFFAOYSA-N 374.469 4.180 0 40 FIAB Fc1ccc(-n2ncc3c(NC45CC6CC(CC(C6)C4)C5)ncnc32)cc1 17169482 AGEVPNCSLXQCRE-UHFFFAOYSA-N 363.440 4.335 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C(N)=O)C1 17246186 LHGNMRGVZCTCDL-MXMFLMJRSA-N 374.893 4.277 0 40 FIAB C[C@H]1CCCC[C@H]1N1CCN(Cc2cccc(Br)c2)CC1 19370428 BMOAYKAROHLNIS-MAUKXSAKSA-N 351.332 4.145 0 40 FIAB CCCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCC1 21148705 BJWTXMSEHTUWIB-IBGZPJMESA-N 358.526 4.346 0 40 FIAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2)CC1 23694128 LZENCQXVXUQMEX-HNNXBMFYSA-N 368.868 4.273 0 40 FIAB CCOC(=O)c1cnn(-c2nc3ccccc3s2)c1C(F)(F)C(F)F 25184257 HYXDHHJPSRKHLP-UHFFFAOYSA-N 373.331 4.016 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 28226306 MPBVOOMTFJNVNX-UHFFFAOYSA-N 373.815 4.050 0 40 FIAB O=C(O)CCCCCNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 31820947 BJYJDBAQJVAONH-UHFFFAOYSA-N 364.445 4.070 0 40 FIAB COc1ccc(OC)c(CNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)c1 31909149 WGLAYVMRIYDQSB-UHFFFAOYSA-N 367.489 4.349 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(F)cc2cccnc12 32825211 ULDAEDAZQBIKOJ-HNNXBMFYSA-N 361.424 4.148 0 40 FIAB Cc1ccc2nc(COC(=O)c3ccc(COc4ccccc4)o3)cn2c1 32830012 LSYOCAJHPPTQGJ-UHFFFAOYSA-N 362.385 4.172 0 40 FIAB CCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39767500 CCYOVVGIRAKDNF-UHFFFAOYSA-N 366.446 4.196 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)Nc3nc(C(C)C)cs3)o2)cc1 40005347 VPQLKZIJMUOLHF-UHFFFAOYSA-N 356.451 4.196 0 40 FIAB COCc1cccc(C(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)c1 40107909 UTDLPQFLIHXDCZ-KRWDZBQOSA-N 352.478 4.317 0 40 FIAB O=C(CCCc1nc(-c2cccs2)no1)N1CCCCc2ccccc21 40133894 FXMHCJYXALRENA-UHFFFAOYSA-N 367.474 4.490 0 40 FIAB CN(c1ccccc1)C1CCN(C(=O)c2csc(-c3ccco3)n2)CC1 57089916 XXHGRXDDANQWBF-UHFFFAOYSA-N 367.474 4.144 0 40 FIAB Cc1ccccc1[C@@H]1CCCN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 58087154 ORMWZHZHHIBHFE-IBGZPJMESA-N 372.509 4.306 0 40 FIAB CC(C)c1nc(CCNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cs1 58264202 HSGQXQDDKLXEDL-UHFFFAOYSA-N 374.897 4.283 0 40 FIAB Cc1cccnc1NC(=O)NCc1cccc(CN2CCCCCC2)c1 58266589 SZLVRODMVHYGAC-UHFFFAOYSA-N 352.482 4.088 0 40 FIAB Cc1ccc(C)n1C1CCN(C(=O)c2cnc(-c3ccccc3)nc2)CC1 58417445 FSOXVRGCKQDQJY-UHFFFAOYSA-N 360.461 4.039 0 40 FIAB CN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 59390291 ZMYISAXBMCPMIF-UHFFFAOYSA-N 362.253 4.043 0 40 FIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cccc(N(C)C)c1 60392483 GVPYLWJTRANAPH-UHFFFAOYSA-N 358.463 4.121 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1csc(-c2ccccc2)n1 71801169 XFBHGVJKQAIWNP-HWRSSNJWSA-N 370.499 4.086 0 40 FIAB Cc1nn(C)c2sc(C(=O)O[C@H](C)c3ccc(OC(F)F)cc3)cc12 72038547 PMXGLFCILYKMJN-SNVBAGLBSA-N 366.389 4.463 0 40 FIAB CC(C)OC(=O)[C@H](C)CNC(=O)[C@H](Sc1ccccc1)c1ccccc1 72300948 YNPRTYMLCKUQKC-VQIMIIECSA-N 371.502 4.224 0 40 FIAB OCc1ccc(-c2cncc([C@@H]3CCCN(Cc4ccccc4)C3)n2)cc1 72359267 QYHIDQLPBZTWFQ-OAQYLSRUSA-N 359.473 4.016 0 40 FIAB C[C@@H](Sc1ccc(Cl)nn1)C(=O)N1CCC[C@H]1c1cccs1 73930907 ONOBJJWLQMLSCQ-MNOVXSKESA-N 353.900 4.036 0 40 FIAB COc1cccc(COc2ccc(-c3csc(C)n3)cc2C(=O)O)c1 85397528 IJLQKEYSRHWQPG-UHFFFAOYSA-N 355.415 4.404 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@@H](C)C3)cc2)nc1 95458239 OZLDIXGHGUPOKQ-JKSUJKDBSA-N 355.438 4.119 0 40 FIAB CO[C@@](C)(CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1F 96123508 XSGFNSVRVCAMSV-FQEVSTJZSA-N 370.449 4.241 0 40 FIAB Cn1nc(C(C)(C)C)cc1C(=O)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166613 KKRZGKSQMOFKIR-ROUUACIJSA-N 369.484 4.408 0 40 FIAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 103045869 LESLNBQDZZRTFF-OAGGEKHMSA-N 366.427 4.180 0 40 FIAB C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 105634764 GPAQCAYSFDMSNQ-QSOKESPWSA-N 354.519 4.217 0 40 FIAB O=C(O)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106685351 LDJIQJYSYMDKPV-DHDCSXOGSA-N 373.817 4.275 0 40 FIAB O=C(Nc1cnn(-c2ccccc2)c1)c1c(F)ccc(OC(F)F)c1F 159401675 RGTPZRYCKHQNIA-UHFFFAOYSA-N 365.286 4.004 0 40 FIAB CC(=O)Oc1ccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1 206873724 BWSCJCRSNRRIGD-GOSISDBHSA-N 355.409 4.161 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1cc(C)ccc1C 219276819 QPYHWXHYGBVWIM-IBGZPJMESA-N 353.462 4.273 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(OC)c(OC)c1 219290131 VJWIKJHVAHGGBC-DOTOQJQBSA-N 357.450 4.047 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c(C)c1 219576284 ZSBQBLGYOCAIBA-QGZVFWFLSA-N 359.397 4.107 0 40 FIAB CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224948553 RSDHQTZKBOUXIB-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB O=C(NC[C@H]1COc2ccccc2O1)c1cc2c(ccc3ccccc32)o1 225253063 MCUSWMNWRFSUON-HNNXBMFYSA-N 359.381 4.156 0 40 FIAB CCc1ccc(C(=O)Nc2cc(OC)ccc2-c2ccc(C(=O)O)o2)cc1 226356729 XILKYQNNZPOXRQ-UHFFFAOYSA-N 365.385 4.468 0 40 FIAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1cc2ccccc2s1 253471812 FUVBEXDKWIAXOQ-IBGZPJMESA-N 369.467 4.222 0 40 FIAB Cc1ccc(C)c2sc(NC(=S)NC(=O)/C=C/c3ccccc3)nc12 408627804 NXHUBBWFOCSPQB-ZHACJKMWSA-N 367.499 4.440 0 40 FIAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/C(C)=C/c2ccccc2)C1=O 409212059 PNDVXGRYDSUMQL-RPOVUYBMSA-N 359.447 4.011 0 40 FIAB O=S(=O)(NCc1ccc(Cl)cn1)c1ccc(Cl)c2ccccc12 678838582 HCIMWLXVGGSZHU-UHFFFAOYSA-N 367.257 4.020 0 40 FIAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N[C@H]1CCOC12CCCCC2 1669872011 DYHXRCPKGHGGCT-CCKFTAQKSA-N 360.473 4.240 0 40 FIAB Cc1nc2ccccc2c(=O)n1CC1CCN([C@H](C)c2ccccc2)CC1 1888930393 BWFKSIYIAJEGKX-QGZVFWFLSA-N 361.489 4.178 0 40 FIAB FC(F)(F)c1cc(N2CCC(COc3ccncc3Cl)CC2)ccn1 1889115714 RUHCMYLCTRAHJF-UHFFFAOYSA-N 371.790 4.444 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1 11915072 AMCMXXVDYPKEGC-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)[C@@H]2CC=CCC2)n1 32848541 UPHFDNRTQGPZGL-GFCCVEGCSA-N 359.426 4.202 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)CCSc3ccccc3)n2)c1 78579192 JLAZARBCXFILJS-UHFFFAOYSA-N 367.474 4.186 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 4026482 NNMJHVBZUSISMC-GXCZTEMTSA-N 374.521 4.345 0 40 FIAB biogenic Cc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)o1 2764247 CPIQNPGDRJVOHA-UHFFFAOYSA-N 350.205 4.392 0 40 FIAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cc(OC)cc(OC)c1 6226126 RWMCFPYQHPTMBL-UHFFFAOYSA-N 373.453 4.414 0 40 FIAB CCc1ccc([C@H]2C[C@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 6947736 ZYWGWVJPPXKDTA-QZTJIDSGSA-N 364.449 4.004 0 40 FIAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(C)c2C)CC1 7609971 IPAZCYMMTJZKEH-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2C)cc1 10233089 JXFUARCEBQTNPX-QGZVFWFLSA-N 353.805 4.238 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 10684224 SYPWGNAFOWRAJG-SJORKVTESA-N 368.477 4.238 0 40 FIAB O=C(Nc1cccc(N2CCNC2=O)c1)c1cccc(Oc2ccccc2)c1 47040602 ZUAZXEXHSWDCSY-UHFFFAOYSA-N 373.412 4.261 0 40 FIAB O=C(c1ccc2c(c1)CCCC2)N1CCN(c2cccc(Cl)c2)CC1 8075497 FXZAQVGEGZNGJC-UHFFFAOYSA-N 354.881 4.181 0 40 FIAB Cc1cccc(N(CC(=O)NC2CCCCC2)c2n[nH]c(=S)s2)c1 8414496 RBMDLOMANPWMKV-UHFFFAOYSA-N 362.524 4.096 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c1 682987 ZLKQGBXDASQJAS-UHFFFAOYSA-N 361.397 4.187 0 40 FIAB COc1ccc(Cc2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 1018196 PVEMMLAPGOPOCH-UHFFFAOYSA-N 370.865 4.029 0 40 FIAB COc1ccccc1[C@@]1(CC(=O)NCc2ccco2)CCO[C@H](C(C)C)C1 1294623 BODULCBBZLXDPD-UNMCSNQZSA-N 371.477 4.068 0 40 FIAB biogenic COc1ccc(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 3262523 YMYJPENAJUPDND-WEVVVXLNSA-N 365.212 4.441 0 40 FIAB CCOC(=O)c1ccccc1Nc1c(-c2ccccc2O)nc2cnccn12 35622704 LLOFGKGAEIJJMO-UHFFFAOYSA-N 374.400 4.022 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H](C)[C@@H]2Sc3ccccc3NC2=O)cc1 27233104 SAMRIAXKPKZKQJ-ACJLOTCBSA-N 354.475 4.498 0 40 FIAB Cc1noc(C)c1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 10219428 SISHYIGDMFWMSJ-SFHVURJKSA-N 358.488 4.131 0 40 FIAB CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 3339450 MGAXEKRAGNAFNU-UHFFFAOYSA-N 359.425 4.350 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)CN1CCO[C@H](c2ccc(Cl)cc2)C1 58357435 QUXIBYBGRVSCHM-FQEVSTJZSA-N 368.864 4.386 0 40 FIAB CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CC(C)(C)OC2 2263281 ONRKMNNUBQINON-UHFFFAOYSA-N 374.462 4.420 0 40 FIAB COc1cccc([C@@H](CNC(=O)Nc2cccc3ccccc23)N(C)C)c1 11004856 ZZCMZYKIYYSDOX-OAQYLSRUSA-N 363.461 4.273 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1 11007793 OMBIDPONYRMVSY-FQEVSTJZSA-N 356.429 4.484 0 40 FIAB Cn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccco1 11152176 RVSQIQHXYWTQBI-UHFFFAOYSA-N 361.295 4.063 0 40 FIAB CCc1cc(C(=O)N2CCC[C@H](C)C2)c2c(C)nn(-c3ccccc3)c2n1 36621642 PLUACDDCOXQEKN-HNNXBMFYSA-N 362.477 4.163 0 40 FIAB CCc1ccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3nc(N)nc3N2)cc1 2472088 ZMZSDUXQWHFEHW-HZPDHXFCSA-N 371.847 4.362 0 40 FIAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1nc(C)c(C)s1 29396646 YYSPPQMISCAISX-SNVBAGLBSA-N 353.875 4.169 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 12800950 XYDMOBDKNDLOAW-HXUWFJFHSA-N 367.445 4.030 0 40 FIAB C[C@@H]1CCc2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc2C1 3552415 MLRZFBNNVBAGMB-GFCCVEGCSA-N 354.431 4.280 0 40 FIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5383312 AIBWHDYZKNWYQQ-GOMYTPFNSA-N 354.490 4.453 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCC2=O)cc1 20450588 YHHPZTLFRMDRKP-UHFFFAOYSA-N 362.351 4.080 0 40 FIAB Cc1oc(C)c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1C 14228575 CIMALDCPGYYUAE-UHFFFAOYSA-N 364.449 4.442 0 40 FIAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N(C)C12CC3CC(CC(C3)C1)C2 6787536 KRRFXBHCLSXPBG-QLFDAEIZSA-N 369.431 4.199 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccc(Cl)cc1 4816544 UITMVRZZYUUNNV-RBUKOAKNSA-N 366.852 4.327 0 40 FIAB CCc1nnc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)s1 9125915 NKVWAHVJJDRPHZ-UHFFFAOYSA-N 363.446 4.000 0 40 FIAB Brc1ccc(CSc2nnnn2C2CCCCC2)cc1 9190775 KTJSUFADTJRZSO-UHFFFAOYSA-N 353.289 4.233 0 40 FIAB CCCCNC(=O)c1ccc(Oc2nccnc2N2CCC(C)CC2)cc1 67324042 TXYHVCXDERCJNJ-UHFFFAOYSA-N 368.481 4.035 0 40 FIAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(Br)cc1)C=CO2 15838758 PMWFYYGIIRCCGI-UHFFFAOYSA-N 372.218 4.386 0 40 FIAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(Cl)ccc1O 7505890 GCXZPIAINLRPEN-UHFFFAOYSA-N 365.172 4.106 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)COc2ccccc2-c2ccccc2)cc1 7595657 BRHVRHMHKKROQY-UHFFFAOYSA-N 374.440 4.073 0 40 FIAB Cc1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1C1CC1 7617432 YNFMJSCJLAUURM-UHFFFAOYSA-N 364.474 4.319 0 40 FIAB Cc1noc(C)c1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 7783678 QWEVYXZCJWTGCZ-UHFFFAOYSA-N 362.764 4.299 0 40 FIAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 16181025 IPLYPINTPFNHDL-INIZCTEOSA-N 371.408 4.033 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3F)s2)cs1 7820580 QUHXTNFMZDVBNA-UHFFFAOYSA-N 350.415 4.388 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 16780724 VAGOFAOGEGNATL-BETUJISGSA-N 359.919 4.104 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)CCC(=O)Nc1cc(N)ccc1F 72309078 MQHAGTLODIMPDI-ZDUSSCGKSA-N 355.413 4.176 0 40 FIAB CC(C)[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1cccs1 9862228 KUZQKTNPGJSOHX-SFHVURJKSA-N 360.479 4.058 0 40 FIAB CN(CC(=O)Nc1cccc(Cl)c1)Cc1csc(-c2ccoc2)n1 95953648 OFQYEDBHFLKMGH-UHFFFAOYSA-N 361.854 4.127 0 40 FIAB CCc1nc2sc([C@@H](c3ccccc3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36104796 KTKLQWDPJBNKQB-GRDNDAEWSA-N 370.522 4.126 0 40 FIAB O=C(Cn1cnc2ccsc2c1=O)c1ccc(Oc2ccccc2)cc1 31620330 ZMKNWCVFEJOHLH-UHFFFAOYSA-N 362.410 4.133 0 40 FIAB O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccc(C(F)(F)F)cc1 43278254 LUXQTTIGIQOPDT-UHFFFAOYSA-N 374.366 4.272 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NCc1ccnc(-c2ccsc2)c1 225756158 JVYAJRFIMLHDHA-UHFFFAOYSA-N 360.841 4.462 0 40 FIAB NC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)cc1 40079883 UEIOUBXPPKCBAZ-UHFFFAOYSA-N 355.394 4.297 0 40 FIAB Cc1ccc(Cl)c(OC(=O)CCNC(=O)c2ccc(F)cc2Cl)c1 40129187 BDJQLIIAVZUNAN-UHFFFAOYSA-N 370.207 4.166 0 40 FIAB Cc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1C 224145788 HGZKBFODKXHZGO-UHFFFAOYSA-N 361.869 4.311 0 40 FIAB S=C(NCCCN1CCCCCC1)Nc1ccc(Br)cc1 225398974 BVVWMEYWYHRFRR-UHFFFAOYSA-N 370.360 4.002 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 225899152 SVVMUPMUQGHRPG-LBPRGKRZSA-N 356.809 4.495 0 40 FIAB CC(C)(C)NC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1 225896558 IBOFIGCGNNKHRR-UHFFFAOYSA-N 370.400 4.373 0 40 FIAB Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CCNCC2)n1 143111605 LSYSDOHDXKUJAP-UHFFFAOYSA-N 351.479 4.119 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C)C[C@H]1c1ccccc1 245237794 XDBXOPBQVMVUPU-BEFAXECRSA-N 374.937 4.336 0 40 FIAB Cc1cncc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257213836 CJGKZQBZGMVGNK-QFIPXVFZSA-N 373.456 4.487 0 40 FIAB O=C(c1ccc(Cl)s1)N1CCC(c2nnc(-c3ccoc3)o2)CC1 85555872 UWJWQHDPTLWRAD-UHFFFAOYSA-N 363.826 4.064 0 40 FIAB Cn1cc(NC(=O)c2ccc(-c3cccs3)s2)cc(Cl)c1=O 1320017985 PKZBJFDURUUCAC-UHFFFAOYSA-N 350.852 4.081 0 40 FIAB O=C(/C=C/c1ccco1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119655 BLXMSUXXRKEQKS-MDZDMXLPSA-N 361.357 4.165 0 40 FIAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCC[C@@H](C(F)(F)F)C1 89779350 AFABITFFUBEHSY-GFCCVEGCSA-N 367.346 4.379 0 40 FIAB CC(=O)N1c2ccc(NC(=O)c3cc4cccc(C)c4nc3C)cc2C[C@@H]1C 12204558 PWDQIHUEWZDXAN-AWEZNQCLSA-N 373.456 4.401 0 40 FIAB CC[C@@H](C)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 12815847 MJIHBVBKOJJRBY-SNVBAGLBSA-N 353.285 4.481 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684928 FOXQKPBVRZUSDL-UHFFFAOYSA-N 370.518 4.477 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1Cl 14196796 NOYFRZBJJWXIJJ-ZDUSSCGKSA-N 355.825 4.200 0 40 FIAB CNc1nc(C)c(C(=O)N[C@@H](c2ccncc2)c2ccc(C)c(C)c2)s1 19213586 QEVAHAYNVQVUEE-KRWDZBQOSA-N 366.490 4.024 0 40 FIAB Cc1noc2nc(C3CCN(C(=O)C4CCCC4)CC3)cc(C(F)F)c12 19564567 SOTZKZPVDYXPSQ-UHFFFAOYSA-N 363.408 4.365 0 40 FIAB CCCn1nc(C)c(-c2cncn2Cc2ccc3c(c2)CCCO3)c1C 19654468 XHWLBDIOZNQGOH-UHFFFAOYSA-N 350.466 4.147 0 40 FIAB CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OC 7342852 CNAMTNMVAPPUIP-BOPFTXTBSA-N 370.430 4.188 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 206655574 NCJPBPRERQUMRI-ZDUSSCGKSA-N 374.847 4.002 0 40 FIAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2)nc1Cc1ccccc1 4492526 HODGHBBBMXOURO-HNNXBMFYSA-N 351.475 4.428 0 40 FIAB O=C(CSc1nc(-c2ccccc2Cl)ns1)NC1CCCC1 3007338 DSLCQBJWAOHLMS-UHFFFAOYSA-N 353.900 4.009 0 40 FIAB Clc1cccc(CSc2ncnc3c2nnn3Cc2ccccc2)c1 4166370 AZCQJYBKYIXGJT-UHFFFAOYSA-N 367.865 4.215 0 40 FIAB O=C(C[C@H](NCCC1=CCCCC1)C(=O)O)Nc1ccc2ccccc2c1 5258870 PHENWPSEPVEWPI-FQEVSTJZSA-N 366.461 4.102 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@@H]1COC2(CCCCC2)O1 10220431 QSIDPNNNWNYDMH-QGZVFWFLSA-N 369.461 4.044 0 40 FIAB CCC[C@H](O)c1nc2ccccc2n1CCCOc1ccc(OC)cc1 11692515 JRECPJXVEZWCFY-FQEVSTJZSA-N 354.450 4.348 0 40 FIAB COc1ccc([C@H]2CCCCN(C(=O)c3cc(-c4ccco4)[nH]n3)C2)cc1 206883060 BXBHVQJYIJZIAM-INIZCTEOSA-N 365.433 4.088 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2csc3ccccc23)cc1 575620932 MVAIJYCVGHRZEP-CYBMUJFWSA-N 373.499 4.013 0 40 FIAB Fc1ccc([C@H]2c3cccn3CCN2C(=S)NCc2ccccc2)cc1 4088115 ZJPLTWSGGWHXPA-FQEVSTJZSA-N 365.477 4.107 0 40 FIAB Cc1cc(C)c2cc(C(=O)NCc3ccccc3Cn3ccnc3)[nH]c2c1C 28513482 HHBNOOATKFWVKG-UHFFFAOYSA-N 372.472 4.268 0 40 FIAB COc1ccc(CNC(=O)c2cc(-n3cccc3)ccc2Cl)cc1OC 32071768 ZDOOCCAARZMPLM-UHFFFAOYSA-N 370.836 4.078 0 40 FIAB Brc1cc2c(cc1CSc1nccn1C1CC1)OCO2 11894311 ONYXUIQUCVWQTR-UHFFFAOYSA-N 353.241 4.002 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 11913880 ALPDNAIUTHELMQ-UHFFFAOYSA-N 358.344 4.254 0 40 FIAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1 2654205 DVIWJFUCFCGMTI-UHFFFAOYSA-N 373.714 4.034 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c(C)c1 32876290 KXWRMLIKEWQXCB-UHFFFAOYSA-N 368.502 4.353 0 40 FIAB COc1ccccc1C[C@H](C)N(C)c1nc(-c2ccncc2)nc2c1CCC2 76061438 CGADVDDDZLJVSZ-INIZCTEOSA-N 374.488 4.103 0 40 FIAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(Sc2nncs2)cc1 69370034 KPPVNYIUVFNLFN-VIFPVBQESA-N 360.464 4.036 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)CSCc2ccccc2Cl)c1 6503865 VHERIVDMPMGLRA-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB COCCNc1nc(-c2ccccc2)c2cc(Br)ccc2n1 2710113 SMTLSTRHTBBDDE-UHFFFAOYSA-N 358.239 4.118 0 40 FIAB CSc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 7380431 LEKDGIDSTPEDAY-LBPRGKRZSA-N 356.516 4.353 0 40 FIAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2F)o1 8305705 XRSCGKZRWGCPGQ-UHFFFAOYSA-N 366.392 4.017 0 40 FIAB Cc1ccc(OC(F)F)c(NC(=O)[C@H](C)Cn2nc(C)c(Cl)c2C)c1 2805382 DVBWILUUDSPXGI-SNVBAGLBSA-N 371.815 4.338 0 40 FIAB Cc1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)o1 8393880 HCNMTWPRNWZRFO-UHFFFAOYSA-N 357.797 4.096 0 40 FIAB COc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c(Cl)c1 12389651 LHTCDURYMWMCCY-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 9063538 BTPKLXNHIKEPPE-UHFFFAOYSA-N 370.468 4.464 0 40 FIAB Cc1cccc(CN2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1 23643635 GAWFOFBVMMLMPM-UHFFFAOYSA-N 361.489 4.051 0 40 FIAB FC(F)(F)c1cnc(Sc2nnc(-c3cccnc3)o2)c(Cl)c1 1388481 NUPCYXRTAKSEEQ-UHFFFAOYSA-N 358.732 4.350 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1C 3267166 WNKZKBKLJKVLEC-UHFFFAOYSA-N 368.487 4.292 0 40 FIAB O=C(NC(=S)Nc1ccccc1O)c1cccc2c(Cl)cccc12 21596289 CZFGEBUZNOPWRC-UHFFFAOYSA-N 356.834 4.326 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3224516 MIAAQBTZEGQCMA-UHFFFAOYSA-N 367.232 4.307 0 40 FIAB O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12627614 LQBPKWGIVGCOFJ-MRXNPFEDSA-N 370.250 4.303 0 40 FIAB COCc1c(C(=O)Nc2nc3c(s2)CCC3)sc2cccc(F)c12 25768532 OBDAVTKWFCMBBC-UHFFFAOYSA-N 362.451 4.384 0 40 FIAB Cc1cccc2c1N[C@@H](c1c(C)nn(Cc3ccccc3)c1Cl)NC2=O 27577779 GNEUPXCIDGMXAP-LJQANCHMSA-N 366.852 4.056 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)sc1C 58154321 HPRZFBWHMFYTIF-UKRRQHHQSA-N 366.527 4.273 0 40 FIAB O=C(COc1ccc2ccccc2c1)N1CCC(Nc2ccccc2)CC1 58152140 IPOUOPBMGNPLQI-UHFFFAOYSA-N 360.457 4.322 0 40 FIAB CC(C)[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)N1CCCC1=O 58231473 AXQLJTXPLIKLSO-HXUWFJFHSA-N 351.450 4.016 0 40 FIAB O=C(CN1CCC[C@@H]1c1ccc(O)cc1)Nc1ccccc1C(F)(F)F 58365305 SPKGKVZKYJFECL-QGZVFWFLSA-N 364.367 4.187 0 40 FIAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 12791673 XGCRMQRRJZRVSI-UHFFFAOYSA-N 352.434 4.114 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c1 10841919 DSWGFJWDHIVUSL-OAHLLOKOSA-N 351.450 4.091 0 40 FIAB CSCC[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2[nH]1 2308317 UDYJGNCALXFOMN-DXRVJIQQSA-N 351.475 4.187 0 40 FIAB CCc1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 11072342 JAGYORZTJPXAQR-UHFFFAOYSA-N 360.457 4.425 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1cnn(Cc2ccccc2Cl)c1 27920697 SBLAINFVLBEKTF-UHFFFAOYSA-N 364.836 4.247 0 40 FIAB CCCCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)C 11565996 POTYMTFKNYXURH-UHFFFAOYSA-N 351.468 4.060 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)c(F)c2)c1 12861069 XHIYKWPVGVMCEI-UHFFFAOYSA-N 370.453 4.392 0 40 FIAB O=C1c2ccccc2-c2nn(C(=O)c3ccccc3)c(-c3ccccc3)c21 2582167 RFNHBCNNJPHAEH-UHFFFAOYSA-N 350.377 4.450 0 40 FIAB CCc1ccc(Nc2nnc(SCC(=O)NC(CC)CC)s2)cc1 3461283 GVLCLOCPNJIDLH-UHFFFAOYSA-N 364.540 4.241 0 40 FIAB O=C(CSc1nc(-c2ccccc2)cs1)NCc1ccc(F)cc1 3453919 VYMQRMVXCANVGO-UHFFFAOYSA-N 358.463 4.358 0 40 FIAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCc2sccc2C1 13006507 WVTJEPWOZBTIJN-HXUWFJFHSA-N 365.498 4.213 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)SCc2ccccc2Br)no1 8719586 GHWYHBATWYMJLU-SNVBAGLBSA-N 355.257 4.006 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(OC)cc3)n2)cc1 5180183 XMGJKVYYGKQPQX-UHFFFAOYSA-N 353.447 4.018 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1 6335556 ROMZGZQZYIGEFC-UHFFFAOYSA-N 366.461 4.028 0 40 FIAB Cc1nc(S)sc1CC(=O)Nc1cccc(C2SCCS2)c1 18216826 KQMLGUPWULAIKX-UHFFFAOYSA-N 368.574 4.400 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)Cc3c(F)cccc3Cl)o2)cs1 14188287 ZRXFOWQHXRUYMJ-UHFFFAOYSA-N 364.829 4.363 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 4675946 GVUYXIJLRPIKQQ-UHFFFAOYSA-N 358.310 4.481 0 40 FIAB COc1ccc(OCCCC(=O)Nc2ccc3nc(C)sc3c2)cc1 6608241 HVWQFSZHCKQFFF-UHFFFAOYSA-N 356.447 4.411 0 40 FIAB COc1ccc(NC(=O)/C=C(\C)N[C@H]2CCSc3ccccc32)cc1 6651123 VIKHTBZNQCWNLQ-JKGDOXCYSA-N 354.475 4.364 0 40 FIAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1 408637786 ABVRVLAMGSXBNA-GOSISDBHSA-N 358.441 4.448 0 40 FIAB CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccccc1 20456729 UMFQPTHXZJWJKH-QGZVFWFLSA-N 362.267 4.404 0 40 FIAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)c1 8917230 CUYGGAWZKCDVCO-LJQANCHMSA-N 363.413 4.147 0 40 FIAB CC(=O)c1cccc(NC(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)c1 7058251 GPLMBSSSZNHBBP-UHFFFAOYSA-N 367.445 4.227 0 40 FIAB CCCCCCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 15567348 KSPLSDBOKFLXFF-UHFFFAOYSA-N 353.422 4.068 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2cccs2)cc1 9095436 LDUTYEXVCNOQLS-UHFFFAOYSA-N 364.470 4.168 0 40 FIAB Cc1ccccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 7890013 SHJUXBWSLQZGSD-FQEVSTJZSA-N 355.434 4.480 0 40 FIAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccoc2C)c2ccccc2)c1 7848034 JGFDNLCOQKZFED-LJQANCHMSA-N 365.385 4.133 0 40 FIAB Cc1cccc(NC(=O)CN(C)Cc2csc(-c3ccccc3)n2)c1C 8153147 AMLVJSIPVGKWMB-UHFFFAOYSA-N 365.502 4.497 0 40 FIAB CCOc1ccc2nc(NCc3cc(OC)c(OC)c(OC)c3)sc2c1 97036863 MIORIDVHIZOULI-UHFFFAOYSA-N 374.462 4.333 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc23)C1 95469726 CZZFODJNCKVAIR-HXUWFJFHSA-N 372.468 4.260 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCC1 21357221 MYOJYYRNVGRYHH-OAHLLOKOSA-N 368.502 4.478 0 40 FIAB O=C(Nc1ccc(-n2cc(Br)cn2)cc1)NC1CCCCC1 27917914 OUJZBFBMWYSAKY-UHFFFAOYSA-N 363.259 4.089 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O 409105089 GFVBPBZPOGFHSF-MDWZMJQESA-N 370.268 4.293 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(-c2cccc(F)c2)no1 36390727 OFLZJMIXARSTKE-UHFFFAOYSA-N 366.377 4.252 0 40 FIAB O=C(NCc1cccc2ccccc12)NC[C@H](c1ccco1)N1CCCC1 502153436 RQMJKDVABIWQSB-HXUWFJFHSA-N 363.461 4.069 0 40 FIAB CCOC(=O)[C@H]1CCCN(C(=O)c2sc3cc(F)ccc3c2Cl)C1 33005351 LHFPLKCDDDZPJN-JTQLQIEISA-N 369.845 4.109 0 40 FIAB CCCC[C@H](CC)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 32801779 KXBCNMSTJPCHGQ-INIZCTEOSA-N 351.922 4.388 0 40 FIAB COC(=O)c1ccc2c(c1)c1cc(C(=O)OC)ccc1n2CCC(C)C 73634140 MBSQUPXPCYUYOM-UHFFFAOYSA-N 353.418 4.414 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)ncn2-c1ccccc1 36709143 ZNCJHLYQISJBIL-UHFFFAOYSA-N 371.396 4.049 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1OC 72406184 RRPMAUYHTTYXQD-AWEZNQCLSA-N 369.446 4.134 0 40 FIAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 217721639 PCKVHJTWESUENB-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB COCCn1c(SCCOc2ccc(C)cc2)nnc1-c1ccccc1 41294291 XOOGWBZFGRRSEM-UHFFFAOYSA-N 369.490 4.071 0 40 FIAB O=C(C1CCCC1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358942 VCRNJKAYKOHRDF-KRWDZBQOSA-N 353.441 4.179 0 40 FIAB Cc1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C)c1 225719681 BUWSHYQZMFQLBW-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB O=C(Cc1ccc(F)cc1)NCCSCc1c(F)cccc1Cl 222740085 XJTPTVIKFFTELO-UHFFFAOYSA-N 355.837 4.210 0 40 FIAB O=C(CCc1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 222663423 GPQSJKUJZMGIKP-UHFFFAOYSA-N 362.448 4.260 0 40 FIAB Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)c(C)c1 46103159 KCZOIHIDAJPGPB-UHFFFAOYSA-N 353.535 4.038 0 40 FIAB CCOc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222605682 FIQVDGTTWNZITL-UHFFFAOYSA-N 353.809 4.448 0 40 FIAB CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2[nH]c(Cl)nc2c1 225980942 PUFJVIRDZMYZPZ-UHFFFAOYSA-N 367.840 4.143 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1C(C)(C)C 223712637 BLRUHKRQZVODST-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NC[C@H](c1ccco1)N1CCCCC1 40160812 GPAWKVXHDRFKME-HXUWFJFHSA-N 365.477 4.037 0 40 FIAB O=C(NCc1ccco1)NC1(c2nc(-c3ccsc3)no2)CCCCC1 77197574 NIIZPOFPYBBVSE-UHFFFAOYSA-N 372.450 4.050 0 40 FIAB COCCn1c(C(=O)N2CCC[C@@H]2C)cc2c1c1ccccc1n2C(C)C 96146364 AMEWLFDUISBOCM-INIZCTEOSA-N 367.493 4.448 0 40 FIAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccsc2)CC3)o1 96047271 YBJFMHMKRJPELX-UHFFFAOYSA-N 358.507 4.168 0 40 FIAB Fc1cnc(N2CCC3(CC2)C[C@H](c2cccnc2)c2ccccc23)nc1 96079258 PAVKTRJOEGVMNM-LJQANCHMSA-N 360.436 4.085 0 40 FIAB Nc1c(C(=O)N2CCCC2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173797 XEIXVOJURBXZGW-UHFFFAOYSA-N 369.412 4.012 0 40 FIAB CC(=O)N[C@]1(C)C[C@H](c2ccc3c(c2)CCCO3)O[C@@H]2C[C@H](C)CC[C@H]21 257344072 ZVRMTOJUSSXNMX-PIFKTPJGSA-N 357.494 4.173 0 40 FIAB COc1ccc([C@H](N[C@H]2CCCn3ccnc32)c2ccccc2OC)cc1 655736719 HAVHEBXYNVIEMD-FPOVZHCZSA-N 363.461 4.114 0 40 FIAB Cc1cc(O)nc(N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)n1 1614423156 HHPARXWMBLBSOW-ZDUSSCGKSA-N 356.426 4.243 0 40 FIAB CC(C)n1cc(CCNC(=O)Cc2ccc3c(c2)CCO3)c2ccccc21 604419069 TYFXHKGCTXFFLT-UHFFFAOYSA-N 362.473 4.059 0 40 FIAB CC[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 104008654 ZVXWUHKBDMRVFC-HBUWYVDXSA-N 360.498 4.462 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c2c1 5274531 FMOSODSHXOVATL-UHFFFAOYSA-N 352.478 4.052 0 40 FIAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CNC(=O)C1CCCCC1 12907665 YOOYPHAJCUYSHA-UHFFFAOYSA-N 359.510 4.341 0 40 FIAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccnc1Cl 14258063 ADRIMJJBJAXNEQ-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB O=C(CSc1nccn1C1CC1)Nc1ccc(SC(F)F)cc1 14805953 JDFVBYOSQYHEST-UHFFFAOYSA-N 355.435 4.264 0 40 FIAB COc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)s1 19561967 XKHWVRWLTBAJEF-MRXNPFEDSA-N 352.459 4.325 0 40 FIAB N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 605699129 OSFYUOBMIMRRQJ-SHTZXODSSA-N 356.341 4.023 0 40 FIAB in-vitro COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)c1ccc(C)cc1 226356116 WJGQGNFFDBBGCR-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB O=C(O)[C@H](c1ccc(Cl)cc1Cl)N1CCC(OCC2CC2)CC1 652429130 ZZBGCCMCPLMIBD-INIZCTEOSA-N 358.265 4.010 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1 11476860 FZAHRVOWSVAOGV-VFNWGFHPSA-N 368.477 4.415 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1C(C)C 12216934 UPTMMTIRLFLDRB-UHFFFAOYSA-N 366.461 4.484 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)c1 2723141 GMLFRXMSWJDYIK-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB O=C(COc1ccccc1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 4072352 VTYGDJQNHOKOLX-UHFFFAOYSA-N 369.490 4.023 0 40 FIAB aggregator O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccccc2Cl)o1 4496776 WAPLSRVZBKZASI-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB O=C(NCc1cncc(-c2ccco2)c1)c1cc(Br)cs1 575617435 AOXRBGXJWBAPRU-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB O=C(NCCSCc1ccccc1)c1ccccc1Br 3176956 OCDYGTBNPDCEGM-UHFFFAOYSA-N 350.281 4.112 0 40 FIAB Cc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 100834894 BOOUSOJTSDDNTP-KRWDZBQOSA-N 367.250 4.405 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc2ccccc2c1 32676352 JOKUQWHDNFQRTR-UHFFFAOYSA-N 356.429 4.001 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2Cl)NC(=O)N1 641381 KGAZVYFLTALHAJ-SFHVURJKSA-N 369.852 4.223 0 40 FIAB CCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 873300 AESKMDBDTUSFJT-UHFFFAOYSA-N 352.390 4.432 0 40 FIAB Clc1ccc(-c2oncc2-c2nnnn2-c2ccc(Cl)cc2)cc1 978374 RTJPSAIRDKEPQG-UHFFFAOYSA-N 358.188 4.291 0 40 FIAB Fc1cccc(Cl)c1CSc1nc2nccc(-c3ccccn3)n2n1 1390946 UMYJLCVYUZPHIT-UHFFFAOYSA-N 371.828 4.271 0 40 FIAB Cc1cc(=O)oc(C)c1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C(C)C 1444579 BTYXTOCBXUHDFC-OAQYLSRUSA-N 364.445 4.134 0 40 FIAB Cc1cc2nnc(SCc3cn4ccsc4n3)n2c2ccccc12 1924369 BEXCKTPLJZUGHN-UHFFFAOYSA-N 351.460 4.192 0 40 FIAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCc2ccccc21 2652522 KNENOAIKUQVVKQ-UHFFFAOYSA-N 366.424 4.137 0 40 FIAB CC(=O)c1cccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1 3219431 PEUMHJWLEQOHEM-UHFFFAOYSA-N 359.466 4.223 0 40 FIAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CCCCC1 3302599 UZXGDUQLZDOBDO-UHFFFAOYSA-N 353.418 4.085 0 40 FIAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)c(Cl)c1Cl 3388478 KTLINCHOLDQUOY-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB COC(=O)c1ccc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 3420891 KZVTVBWIABNXSC-UHFFFAOYSA-N 365.458 4.224 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)Nc2nc3c(s2)CCCC3)cc1 3432785 QFCLAQHPPLRUEU-UHFFFAOYSA-N 358.463 4.022 0 40 FIAB COc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1OC 3469465 QZFRCPULHTYSME-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)c1ccc(Cl)s1 3562854 ZKURCOSDFKOVQQ-UHFFFAOYSA-N 371.845 4.478 0 40 FIAB CCOC(=O)C1=C(OCc2ccc(Cl)cc2)[C@@H]2C=C(C)C=C[C@@H]2N=C1 4107046 ZUKDHQBTBFLSDK-AEFFLSMTSA-N 357.837 4.259 0 40 FIAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 4551262 QOYOWXVDCLWFDE-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB Cc1cc2c3ccc(CN4CCCCC4)n3ccn2c1CN1CCCCC1 5697969 WURDFLGQVKGWON-UHFFFAOYSA-N 364.537 4.472 0 40 FIAB CC[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(Cl)cc2)N1 6168381 YPHABXJTGXFUIR-INIZCTEOSA-N 352.290 4.456 0 40 FIAB COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Cl 6324875 YTZOCPMZPBFSNP-NGOKJDCPSA-N 352.887 4.438 0 40 FIAB Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)cs1 6681731 RUUGGIHWEJUPTB-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB CCc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 6910335 SQQXCJBNXVOZCN-UHFFFAOYSA-N 359.425 4.498 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)c(C)c1 7702069 ZQZUTIIKQFQSLR-LJQANCHMSA-N 357.500 4.433 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1 7709485 IBDSXVFPRIUUIS-UHFFFAOYSA-N 352.337 4.054 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1Cl 7882105 MDOWNJDNVLPJSH-GDBMZVCRSA-N 356.853 4.197 0 40 FIAB CC[C@H](NC(=O)c1oc2ccccc2c1COC)c1ccc(OC)cc1 7990369 DQDUTEFGCJDNBN-SFHVURJKSA-N 353.418 4.469 0 40 FIAB COc1ccc(Cc2n[nH]c(=S)n2-c2cc(C)ccc2C)cc1OC 8667636 WGSJKPCYVZBLOX-UHFFFAOYSA-N 355.463 4.155 0 40 FIAB COc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 8924129 IUKZCYMMYAHCIH-OAHLLOKOSA-N 368.458 4.047 0 40 FIAB CC(=O)Nc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1 9366619 DFOLRIOXOVBTKH-BJMVGYQFSA-N 359.223 4.059 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(F)ccc1F 9645106 DRCPXFUHCAQBCA-UHFFFAOYSA-N 360.341 4.069 0 40 FIAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccn1 9659994 YHEKSXPAXGXUGK-UHFFFAOYSA-N 360.344 4.246 0 40 FIAB biogenic O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1cc(F)cc(F)c1 10515019 UHZONIRDXUUTNI-QGZVFWFLSA-N 365.426 4.094 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)C(=O)c1ccccc1-2 11557495 DJKBLOCZNHEFFO-UHFFFAOYSA-N 366.420 4.352 0 40 FIAB CCCOc1ccccc1CN1CCC(c2n[nH]c3ncccc23)CC1 12221199 HLVDGTVOQCRRHJ-UHFFFAOYSA-N 350.466 4.126 0 40 FIAB COc1cccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3sccn23)c1 12535124 DJNDWKXNKOKJPD-UHFFFAOYSA-N 367.405 4.463 0 40 FIAB Cc1ccc(CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1C 12568887 YEVSIIJSUKKUNB-UHFFFAOYSA-N 374.488 4.470 0 40 FIAB Oc1ccccc1N1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1 12588904 ZJGFSWQQLOFHFQ-UHFFFAOYSA-N 369.852 4.023 0 40 FIAB Cc1c(Cl)cccc1NC(=S)N[C@@H](C)c1nnc2n1CCCCC2 12732523 XDQHRPBLHKTVJU-LBPRGKRZSA-N 363.918 4.014 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCSc3c(F)cccc32)c(C)c1 12756739 QGASBKDZHNCXOK-MRXNPFEDSA-N 365.495 4.266 0 40 FIAB CCOc1c(Cl)cc(C(=O)NCC2(c3ccccc3)CC2)cc1OC 12865040 OFHDMNFIELRNDB-UHFFFAOYSA-N 359.853 4.209 0 40 FIAB CN(Cc1ccc(Br)cc1)C(=O)c1cccc2ncccc12 12890818 LBOHURFVBNBWMP-UHFFFAOYSA-N 355.235 4.270 0 40 FIAB CCc1cc2c(=O)n(Cc3csc(-c4ccccc4)n3)cnc2s1 14085226 PCEZZFIFDVFPJU-UHFFFAOYSA-N 353.472 4.192 0 40 FIAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1sccc1-n1cccc1 14187079 JOBDCZIHQOBSPY-UHFFFAOYSA-N 369.377 4.085 0 40 FIAB COc1ccc(-c2nc(CC(=O)Oc3ccc(C)cc3)cs2)cc1OC 14466343 QNOCDSYTXIDLDE-UHFFFAOYSA-N 369.442 4.284 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C(=O)OC)cc1 15517462 GFYGSOFHNOAZEP-NADMHLTPSA-N 355.459 4.084 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1C 15936091 QDPJNRJFQRZCLK-MRXNPFEDSA-N 369.440 4.325 0 40 FIAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2ccccc2)c1C 19558212 IAYJKEGJDLHKIF-GOSISDBHSA-N 364.449 4.059 0 40 FIAB COc1ccc(CN[C@H](Cc2cccs2)c2nccs2)cc1OC 19561236 KDWAMJDVUSERFE-OAHLLOKOSA-N 360.504 4.295 0 40 FIAB CCCN1CCC[C@](O)(c2nc(C)c(COc3ccccc3)s2)CC1 19705249 IUJBFXBXCAPILP-HXUWFJFHSA-N 360.523 4.114 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 20455713 REECVXRLMLLRKA-KBPBESRZSA-N 374.868 4.274 0 40 FIAB COc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1OC 21046650 GZXQEFBNTCTTCT-UHFFFAOYSA-N 369.417 4.388 0 40 FIAB COc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1Cl 21170962 SUALCRQTHBXZJO-QGZVFWFLSA-N 364.917 4.219 0 40 FIAB COc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C)CC1 22062316 ONYKRGLBQBBZDH-UHFFFAOYSA-N 354.881 4.370 0 40 FIAB in-vitro CC(C)C(=O)N1CCC(C(=O)Nc2ccccc2Cc2ccccc2)CC1 22961259 RNKAILUCZMTLLM-UHFFFAOYSA-N 364.489 4.111 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C 27823583 DKOAMHRNUKBBCL-UHFFFAOYSA-N 368.886 4.413 0 40 FIAB Clc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)no2)cc1 28188171 BVQZAFGHRIWTFF-UHFFFAOYSA-N 360.822 4.454 0 40 FIAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(F)c1 28284391 AMNIWEOISUQQCG-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB COc1cc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc(OC)c1 29567251 PVSIZJFAVFVFAN-UHFFFAOYSA-N 374.487 4.378 0 40 FIAB COc1ccc(CCN(C)C(=O)c2occc2-c2ccccc2)cc1OC 30867223 CDYIABLUJHLQAR-UHFFFAOYSA-N 365.429 4.279 0 40 FIAB COc1cccc(CN(C)C(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c1OC 31336670 XKPOCWOWLPEPSF-RMPFSWKXSA-N 355.434 4.092 0 40 FIAB CCc1ccccc1NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 32607747 YEINEQRVDOQOBS-UHFFFAOYSA-N 354.837 4.490 0 40 FIAB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)C4CCCC4)C3)s2)cc1 36705211 UWKRJLPYWGFIQY-INIZCTEOSA-N 371.506 4.110 0 40 FIAB COc1ccc(-c2nnc(Sc3ccc(C(F)(F)F)cn3)o2)cc1 40020131 ABWKZFRJUNVRIK-UHFFFAOYSA-N 353.325 4.310 0 40 FIAB N#CCn1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc21 50548000 QRNAABKLSNKBIP-WQRHYEAKSA-N 374.425 4.259 0 40 FIAB CCN(C(=O)CN1CCC[C@@H]1c1ccc(OC)cc1)c1ccccc1C 58014321 DGGRXQVLGNNJHM-OAQYLSRUSA-N 352.478 4.194 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)Cc3sc(S)nc3C)cn2)cc1 58364412 PZKKTGGFGXPUPV-UHFFFAOYSA-N 371.487 4.417 0 40 FIAB CC(C)(C)n1ncc(N[C@H]2CCCOc3ccc(F)cc32)c(Cl)c1=O 64538371 KUOPPWFUQARTCW-ZDUSSCGKSA-N 365.836 4.117 0 40 FIAB CCOC(=O)Nc1ccc2c(CN3C[C@@H]4CCCCC[C@@H]43)cc(=O)oc2c1 75109053 UNEQKNUDZGYHBA-KSSFIOAISA-N 370.449 4.126 0 40 FIAB CN(C)c1ncccc1N(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 79721884 NPNCBPPRJIEKTC-UHFFFAOYSA-N 355.438 4.292 0 40 FIAB CN(Cc1csc2ccccc12)S(=O)(=O)c1cc(F)cc(F)c1 83867706 ONPVFSPVXLMNKQ-UHFFFAOYSA-N 353.415 4.000 0 40 FIAB CCCCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CCN2C(C)=O 95349415 ZCCOIJRUUTUIBG-UHFFFAOYSA-N 368.452 4.177 0 40 FIAB CSCCc1ccc(NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)cc1 95414244 MLEPFAOLOLRIHI-INIZCTEOSA-N 366.527 4.080 0 40 FIAB COc1ccccc1/C=C/C=C1/N=C(c2ccccc2OC(F)F)OC1=O 96635219 XNSJZVAPMTZZNJ-UYLQCNQNSA-N 371.339 4.197 0 40 FIAB C[C@@H](NC(=O)CN(C)[C@H](C)c1cccs1)c1ccc2c(c1)CCCC2 104622554 SMTBTVYMXHZIMT-HZPDHXFCSA-N 356.535 4.497 0 40 FIAB CC[C@H]1c2ccsc2CCN1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 104874336 GYKZCCCABCQSQH-KDOFPFPSSA-N 360.498 4.416 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218973190 FYDWRSVDHORQKO-LPHOPBHVSA-N 353.462 4.489 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccccc1OC 222964431 PFGJKIPRXVJBEV-LJQANCHMSA-N 355.478 4.218 0 40 FIAB O=C(CSCc1ccccc1F)NCCOc1cccc2ccccc12 223570066 OPLYJAJVLWDMKT-UHFFFAOYSA-N 369.461 4.407 0 40 FIAB S=C(NCc1cccnc1)Nc1ccc(Sc2ccccc2)nc1 223940829 SLUQEVXXPCFFPK-UHFFFAOYSA-N 352.488 4.114 0 40 FIAB Cc1ccc2[nH]c(-c3ccc(C(=O)NCCCOC(C)C)cc3)nc2c1 225263749 CIMCZLDDLWPYSM-UHFFFAOYSA-N 351.450 4.083 0 40 FIAB COc1ccc(SCCCNC(=S)Nc2cccc(OC)c2)cc1 225802511 MROGFKGQOBBXRD-UHFFFAOYSA-N 362.520 4.173 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccccc2C)cc1 226285268 ADTVJXFXSLPIGT-UHFFFAOYSA-N 350.340 4.163 0 40 FIAB O=C(O)c1cc(OCc2cccc(Cl)c2)cc(Br)c1O 226346494 BBQDRHISVIWNBM-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](Cc3ccncc3)C2)o1 257209941 BSMUZAFZHURPAO-KRWDZBQOSA-N 362.429 4.104 0 40 FIAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)cc3)nn2)cc1 408531633 VNGJADFWKQJCNJ-UHFFFAOYSA-N 369.218 4.434 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C 408608765 PQFLCPRGPSDZTK-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB Cc1ccc(-c2n[nH]c3c2CCN(C(=O)C2(C)CCCCC2)CC3)cc1 585110413 RPWQIHSRBXBSRH-UHFFFAOYSA-N 351.494 4.283 0 40 FIAB c1ccc(-c2cnc(Nc3cc(CC[C@@H]4CCCN4)ncn3)s2)cc1 585263167 PITDFPVJMDBLIR-HNNXBMFYSA-N 351.479 4.028 0 40 FIAB Cc1sc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 653676878 FQYCBTNXCAQYRT-VHSXEESVSA-N 369.273 4.204 0 40 FIAB Cc1cccc(C)c1[C@H]1CCCN1C(=O)NCc1nccn1CC(C)C 660735286 PUJGNFDSNPSMAP-GOSISDBHSA-N 354.498 4.203 0 40 FIAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc[nH]c4C(C)C)C3)[nH]c2c1 671781413 BQRDBMAOMKCMCL-HNNXBMFYSA-N 350.466 4.343 0 40 FIAB CN(Cc1cn[nH]c1)C(=O)c1ncc(-c2cc(Cl)cc(Cl)c2)s1 1629327663 OWVWNLJDBJADMK-UHFFFAOYSA-N 367.261 4.112 0 40 FIAB COc1ccccc1C1(C(=O)NCc2cc(-c3ccoc3)cs2)CC1 1888962020 GIOBRZYCIDLIMR-UHFFFAOYSA-N 353.443 4.365 0 40 FIAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 783820 RUXCEHLWHWZSKZ-QFIPXVFZSA-N 351.446 4.026 0 40 FIAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2ccccc21 990061 ICOJCZIXFUUTGA-DEOSSOPVSA-N 371.436 4.002 0 40 FIAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCc2ccccc2C1 990388 YTXSSEWHHYHTQT-UHFFFAOYSA-N 365.454 4.226 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 1993342 UMGMTJOOIMMYTO-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4cccc(Cl)c4)nc32)cc1C 2420457 WZPVSRBORZZMHS-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB C/C=C/c1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)c(OC)c1 3325701 JBLGFSCPRULESB-ZZXKWVIFSA-N 358.463 4.081 0 40 FIAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1Br 3422340 PMGPWSZRCVMFLG-UHFFFAOYSA-N 372.184 4.440 0 40 FIAB COc1ccc(C)cc1-n1nnc(C(=O)Nc2cc(Cl)ccc2C)c1C 4315743 GQXISHWIEFZCKP-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB COc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c(C)c3)sc2c1 4520384 GFJPQAXDYCTHBE-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCCCC3)c(C)c12 4744306 MKEXKRCPCFIZER-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB biogenic COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1c(Cl)cccc1Cl 5375319 HEXCHYIRXUMLJL-OAHLLOKOSA-N 354.189 4.292 0 40 FIAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 5941762 CEJHURMMEYCALK-UHFFFAOYSA-N 353.443 4.471 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccccc2C)n1 6861255 DAHTUTIOTFALQP-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB COc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1F 7107492 SZPVQMZTRSLIIQ-UHFFFAOYSA-N 366.772 4.006 0 40 FIAB CC(C)CNc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 7268473 GAISZLVACRFBGJ-NSHDSACASA-N 360.508 4.451 0 40 FIAB COc1cc(CCC(=O)OCc2ncc(-c3ccccc3)o2)cc(OC)c1 7272101 WIOLZYVAZMEVHN-UHFFFAOYSA-N 367.401 4.035 0 40 FIAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1Br 7651305 TWHPTXCMBGXTAU-UHFFFAOYSA-N 371.278 4.177 0 40 FIAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1 7882572 KOYXUXLCDLCUJB-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB COc1ccc(CCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC 8276925 PFGZHXSHRSRGGC-UHFFFAOYSA-N 372.223 4.122 0 40 FIAB Cc1ccc(NC2=NN=C(c3ccc4c(c3)OCCCO4)CS2)cc1 9417589 CQDRYHXJGTWGLB-UHFFFAOYSA-N 353.447 4.075 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 9817416 GZNQVHCKHAULGO-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCc2[nH]c3ccccc3c2C1 9902356 LENFXZNELKTUAK-UHFFFAOYSA-N 370.884 4.181 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 10433815 LBFNREVJULAVTO-UHFFFAOYSA-N 366.461 4.020 0 40 FIAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC1CCCCCC1 10733128 QHBYNTXTLKKJSI-UHFFFAOYSA-N 366.461 4.157 0 40 FIAB Nc1sc(SCC(=O)Nc2cccc(F)c2)nc1-c1ccccc1 11693804 KBABRYRLWAXXSK-UHFFFAOYSA-N 359.451 4.262 0 40 FIAB CC(=O)N1c2ccc(NC(=O)c3cc4cccc(C)c4nc3C)cc2C[C@H]1C 12204546 PWDQIHUEWZDXAN-CQSZACIVSA-N 373.456 4.401 0 40 FIAB COc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)CCCC2 12366543 ZWCPNZXPTKUKNO-GHTZIAJQSA-N 354.494 4.371 0 40 FIAB CCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 12539666 HFLLFWYYRQERLU-OAHLLOKOSA-N 353.853 4.074 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)COc1cc(Cl)ccc1Cl 12751067 WMQCDWFIQYHSQG-UHFFFAOYSA-N 366.244 4.360 0 40 FIAB CN1CCN(C(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21 12811253 LTJYBBNXEYPRHC-UHFFFAOYSA-N 373.243 4.033 0 40 FIAB Cc1ccc(-n2ncc(C(=O)Nc3ccccc3O)c2C(F)(F)F)cc1 12874292 KRGYOYISVYJHCO-UHFFFAOYSA-N 361.323 4.157 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cccc(C)c3OC)n2)cc1 14258040 SURHGOGCCOBERW-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CCc1ccccc1NC(=O)CN(C)C(=O)c1sc2ccccc2c1C 17905281 WHEOCWPAZWTFLL-UHFFFAOYSA-N 366.486 4.483 0 40 FIAB COc1ccc([C@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCCC2)cc1 18177760 QMEZLUJJVMFDBL-IBGZPJMESA-N 373.884 4.307 0 40 FIAB COc1cc(CN2CCCCC[C@@H]2c2cc(C)no2)cc(OC)c1OC 19120209 KRQAYVOFKOJSKH-MRXNPFEDSA-N 360.454 4.126 0 40 FIAB Cc1cc(C)n(C2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)n1 19659077 XVNAFQTWVXYASX-UHFFFAOYSA-N 369.900 4.176 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Cc2ccccc2C)cc(C)n1 19691971 NBEVRSMGBDPTTE-OAQYLSRUSA-N 366.505 4.378 0 40 FIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccc(Br)cc1 20029694 FWILIZWYORTCBC-MRVPVSSYSA-N 358.157 4.357 0 40 FIAB Cn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(F)ccc21 20731907 PPBQTBJAHDQPBV-UHFFFAOYSA-N 355.756 4.048 0 40 FIAB CCc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1 22255090 CHFFFCJNQLYIPN-UHFFFAOYSA-N 352.868 4.313 0 40 FIAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)c2cnn(C(C)C)c2n1 22560410 LXGPKXLGGFEJJB-UHFFFAOYSA-N 366.421 4.117 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1OCc1ccc(F)cc1 22738508 CDFOLWHRSMEKEZ-UHFFFAOYSA-N 369.421 4.386 0 40 FIAB Cc1noc(COC(=O)c2ccc(-c3nc4ccccc4s3)s2)n1 23374299 LYEWNVAZGHUGKJ-UHFFFAOYSA-N 357.416 4.073 0 40 FIAB Cc1cccc(OCCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1 25062289 PGYBSZUHHKKTSA-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)OCc1ccc(Cl)cc1Cl 25122644 HNJPMMISASMBHL-UHFFFAOYSA-N 372.273 4.308 0 40 FIAB COc1ccc(OC)c(CN(C(=O)c2cc3cc(F)ccc3[nH]2)C2CC2)c1 25810147 JHSPCTBMHOFCNO-UHFFFAOYSA-N 368.408 4.129 0 40 FIAB Cc1cccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 27662539 DJZMPMHSSDJUKS-IBGZPJMESA-N 372.534 4.169 0 40 FIAB COc1ccccc1[C@@]1(CCNC(=O)c2ccco2)CCO[C@@H](C(C)C)C1 27666554 DIOHBOHOMYPYPX-IRLDBZIGSA-N 371.477 4.181 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)c(C)c1 28048154 RMUIEVNVUIGVRH-CYBMUJFWSA-N 368.296 4.105 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)N(C)C)cc1 28290377 WUEBZDKNSBRARY-IBGZPJMESA-N 350.462 4.391 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c[nH]c3ccccc23)c1 32741075 QLKFPVFMUSNRBA-LJQANCHMSA-N 350.418 4.162 0 40 FIAB CC[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 32936986 NJMZBGMJHQJRMN-FQYNAJQUSA-N 370.493 4.210 0 40 FIAB COc1c(C)ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1C 33049545 MOXJLXDPJVVBCW-FQEVSTJZSA-N 364.445 4.215 0 40 FIAB N=C(NC(=O)c1cc(Cl)cnc1Cl)c1cc(Cl)cc(Cl)c1 33381066 ZCMHVSWFXPWMDJ-UHFFFAOYSA-N 363.031 4.451 0 40 FIAB COc1ccc(CC(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1 34907563 ZFUSJJRATWJXAU-UHFFFAOYSA-N 355.825 4.024 0 40 FIAB CCS(=O)(=O)c1ccccc1NC(=O)c1cccc(Cl)c1Cl 40074546 PGHZKZCSDVRHCY-UHFFFAOYSA-N 358.246 4.039 0 40 FIAB O=C(NCCC1=CCCCC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 42646661 XBPDOBADDSWEET-UHFFFAOYSA-N 374.790 4.304 0 40 FIAB CCc1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(C)cc2)n1 49006874 NJRXYTQKMQXLLD-UHFFFAOYSA-N 361.445 4.340 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364423 WKVHGYXAOCRNFQ-LJQANCHMSA-N 358.441 4.462 0 40 FIAB CC(C)(C)c1ccc2cc(C(=O)Nc3cccc(Cn4cncn4)c3)[nH]c2c1 57244743 IAYPDTSYPVZFBJ-UHFFFAOYSA-N 373.460 4.358 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 57383486 LTNUFKMUXOUMMM-HXUWFJFHSA-N 373.884 4.224 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 57449803 JATAXSQEMHBRKH-GOSISDBHSA-N 362.395 4.157 0 40 FIAB O=S(=O)(Cc1ccccc1)NC1(c2ccc(Cl)c(Cl)c2)CC1 58004217 UOYFBOBAMANOTI-UHFFFAOYSA-N 356.274 4.102 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 58805499 WQGSNVGTIWGOTE-UHFFFAOYSA-N 369.461 4.171 0 40 FIAB Cn1cc([C@@H]2C[C@@H]2C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cn1 69166071 GUZWONWGUAJLSL-PMACEKPBSA-N 365.864 4.410 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C3CCCCC3)C2)n1 72345884 UNIUSKAODJUITJ-MRXNPFEDSA-N 354.473 4.377 0 40 FIAB O=C(c1cc[nH]n1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72358068 AQVDDWUSGQESAP-IBGZPJMESA-N 366.852 4.026 0 40 FIAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1Oc1ccccc1 83541532 KBQJSHAFUXAZOK-KRWDZBQOSA-N 363.421 4.035 0 40 FIAB C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(F)c(F)c1 84647865 VYGSYIFHUXGHFW-ABAIWWIYSA-N 370.440 4.081 0 40 FIAB COc1ccc([C@@H]2Nn3c(nnc3-c3cc4ccccc4o3)S2)cc1 85425705 ZGYVIYQLPTWWFU-QGZVFWFLSA-N 350.403 4.048 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@H](CNc2ccccc2Br)C1 89223528 AJNMIQBBXKGHBR-GFCCVEGCSA-N 355.276 4.118 0 40 FIAB Cc1cc(C(=O)OCc2c(Cl)nc3sccn23)c(C)n1C(C)C 89575568 BWDOPZYECVGGQW-UHFFFAOYSA-N 351.859 4.405 0 40 FIAB C[C@H]1CSC(S[C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)=N1 95980502 XZQWKLLASSBMOY-RYUDHWBXSA-N 369.581 4.422 0 40 FIAB Brc1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100236989 WWTQCEGKJIISHR-MRXNPFEDSA-N 353.223 4.097 0 40 FIAB COc1ccc2s/c(=N\C(=O)c3ccccc3C)n(CCSC)c2c1 101119435 PKLVCKDTXVFZKT-VXPUYCOJSA-N 372.515 4.124 0 40 FIAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(Cc2c(C)noc2C)c2ccccc21 106171089 BCWSQZSQWOSTTH-PMUMKWKESA-N 355.482 4.089 0 40 FIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C1=CC(=O)OC1 118929018 SNNJOYYRZHOKFM-QFQZRAANSA-N 358.522 4.489 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c(C)c1 219544746 UINXJVDNAAXLLY-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 222993971 GZUXXVCPDKCLTB-UTKZUKDTSA-N 371.477 4.053 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1OC 223150270 AAHQVJWHJMYHFX-INDWDQIESA-N 351.446 4.083 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1cnc(Oc2ccccc2F)nc1 224284055 RFAUIKXDMKFEMO-UHFFFAOYSA-N 362.364 4.071 0 40 FIAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COCC(C)C 224451195 XWISNMWEHJNBKY-UHFFFAOYSA-N 357.450 4.437 0 40 FIAB O=C(Nc1cccc(Br)c1)c1ccc2c(c1)OCC1(CC1)CO2 225364938 CTFRLBKCVLFDQV-UHFFFAOYSA-N 374.234 4.253 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1Cl 225444991 FFZLKDQHXVUQSL-UHFFFAOYSA-N 366.845 4.142 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cn1 225876050 LSQMGXCXHQFBNF-UHFFFAOYSA-N 374.868 4.211 0 40 FIAB CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccc(C(=O)O)cc1 254614730 WRKKPQKKULXCOG-UHFFFAOYSA-N 354.431 4.176 0 40 FIAB Cc1ccc2c(c1)OC1(CCN(Cc3ccncc3)CC1)[C@H]1CCCO[C@H]21 257242571 IDDPXYHVXVCZCN-RBBKRZOGSA-N 364.489 4.285 0 40 FIAB CCOc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3)nn2)cc1 408530642 QFIXCPMAKWZLEF-UHFFFAOYSA-N 354.793 4.415 0 40 FIAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3ccccn3)cs2)nc1 1615189070 CCEHPPUBKWVYOQ-QGZVFWFLSA-N 351.479 4.322 0 40 FIAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc(Cl)cc2C)cc1 8733886 SLISLBWWWVJMGF-UHFFFAOYSA-N 372.877 4.486 0 40 FIAB COc1ccccc1N(Cc1ccc(C)cc1)S(=O)(=O)c1cccs1 2626860 JFJZPKWXCQPWEA-UHFFFAOYSA-N 373.499 4.461 0 40 FIAB Cc1sc2ncnc(Sc3nnnn3-c3ccc(Cl)cc3)c2c1C 2636919 GRCCANJLWQFRFU-UHFFFAOYSA-N 374.882 4.088 0 40 FIAB C[C@H]1C[C@H](C)CN(C2CCN(Cc3ccccc3Br)CC2)C1 2735154 JUMJMQVCTRHKTK-HOTGVXAUSA-N 365.359 4.391 0 40 FIAB Cc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NC2CCCCC2)cc1 1381179 YYTAGYWLOXRISV-GOSISDBHSA-N 357.475 4.404 0 40 FIAB Cc1ccccc1Cc1nnc2sc([C@@H](C)Oc3ccccc3)nn12 2183302 PDFNODXHZCCBJX-CQSZACIVSA-N 350.447 4.225 0 40 FIAB COCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCCCC1)CC2 4222664 OWJZNNAUKRHCBA-PKOBYXMFSA-N 373.537 4.082 0 40 FIAB biogenic,in-vitro O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(Cl)cc1 6422983 JUSBULOYPBDQRK-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB Cc1ccc(SCC(=O)NCc2ccccc2CN2CCCCC2)cc1 7850510 LBZYGQZLGRQCDE-UHFFFAOYSA-N 368.546 4.389 0 40 FIAB Cc1cccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1C 8434226 BSLDTMKTQCKBDU-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1ccc(NC(=O)c2cccc(I)c2)c(C)c1 682183 AOENUQUAKKKXCW-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 797298 LOXCHDSNHZHQJC-UHFFFAOYSA-N 373.408 4.453 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)OCc1ccccc1C(F)(F)F 104176355 QTAMOQXOWKEDFD-CXTCDGGRSA-N 368.395 4.470 0 40 FIAB Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(Cl)cc1Cl 3111129 VLJLVWDCIRPLJS-UHFFFAOYSA-N 365.195 4.274 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1)c1ccco1 23018480 DTGCCZAFVJUARN-QZTJIDSGSA-N 364.376 4.413 0 40 FIAB COC(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c1 23055379 BUPJYHUZAOAFNV-ZDUSSCGKSA-N 362.429 4.332 0 40 FIAB Cc1ccc(COc2cccc(C(=S)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 9188976 XQTAXIVUEFZKPA-IAGOWNOFSA-N 355.503 4.359 0 40 FIAB CCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2C1 54313690 IZTPCJCPPGOMIG-UHFFFAOYSA-N 351.402 4.031 0 40 FIAB biogenic C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1 12551044 BPHSUNIMGGPPSR-LSDHHAIUSA-N 369.852 4.170 0 40 FIAB CC[C@H](C(=O)OCC(=O)c1ccccc1Br)c1ccccc1 3242428 SSWCSHZFUKAUFC-AWEZNQCLSA-N 361.235 4.369 0 40 FIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCc1cccnc1 25521824 OGLWNNNSUMWDFR-UHFFFAOYSA-N 355.441 4.062 0 40 FIAB C[C@@H](Sc1nnnn1Cc1cccs1)c1ccc(F)c(Cl)c1 58356093 YJSIQCTYECGPHB-SECBINFHSA-N 354.863 4.429 0 40 FIAB Cc1c(C(=O)COC(=O)Cc2n[nH]c3ccccc23)sc2ccccc12 58319920 RGHZTDUFIDERMQ-UHFFFAOYSA-N 364.426 4.055 0 40 FIAB c1ccc(CN2CCC(NC[C@H](c3ccco3)N3CCCCC3)CC2)cc1 22934054 SLJDKNNRKFJUPL-JOCHJYFZSA-N 367.537 4.061 0 40 FIAB CCN(CCNC(=O)c1cc(C2CC2)nn1C(C)(C)C)c1ccccc1C 48272468 OXKVBVMCFHHDFX-UHFFFAOYSA-N 368.525 4.080 0 40 FIAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C1(c2ccc(C)cc2)CC1 2233937 DSIGHHZZSXVMOS-UHFFFAOYSA-N 362.429 4.242 0 40 FIAB CC(C)(C)c1noc(CSc2nnc(-c3ccc(Cl)cc3)o2)n1 24045224 CNHWEKCLPXPMKK-UHFFFAOYSA-N 350.831 4.363 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 11251762 UYKCXJLCFYZYEO-UHFFFAOYSA-N 367.367 4.094 0 40 FIAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cccc2ccccc12 3371702 CAPBWVXWRIBRDI-UHFFFAOYSA-N 372.424 4.436 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-n3nc(C)cc3C)cc2)c(C)c1 12771810 XGSJGSHRIBSBEW-UHFFFAOYSA-N 369.490 4.215 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2c1 12741333 IOIWXWJJGZLIAN-UHFFFAOYSA-N 373.500 4.246 0 40 FIAB COc1cc(C)c(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC 12764161 AYMYLARRGAWSQD-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB CCc1ccc(C(=O)COC(=O)c2cc3sc(N(C)C)nc3s2)cc1 48302681 SPOTUECHUFINLH-UHFFFAOYSA-N 374.487 4.026 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2csc(-c3ccccc3)n2)c1 12922396 VLRWQMAYJWDJME-ZDUSSCGKSA-N 368.458 4.318 0 40 FIAB C[C@@H](NC(=O)CNc1ccccc1OC(F)(F)F)c1ccc(F)cc1F 24226579 KJKRFYKVDJEEBC-SNVBAGLBSA-N 374.309 4.153 0 40 FIAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)c1 18130649 PSWSSPWWVWELNM-UHFFFAOYSA-N 356.809 4.403 0 40 FIAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13805370 VEBBDONEHGNEMN-UHFFFAOYSA-N 354.837 4.152 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)NC(=O)N1CC 5524583 LBYBOJMVCASXNZ-MRXNPFEDSA-N 350.846 4.044 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)CSCc1ccc(Cl)s1 6992870 LOJLYTLGSRDPBH-UHFFFAOYSA-N 368.955 4.013 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 4978235 DTJDKQFXPAKIBQ-HJOIGYKYSA-N 357.494 4.360 0 40 FIAB CCOCc1c(C(=O)N[C@H]2CCOc3ccccc32)oc2ccccc12 7217948 WDOGBYARMBZXMK-KRWDZBQOSA-N 351.402 4.223 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(C)c(C)c1 15670752 LWRMWUOQNHBHEI-KRWDZBQOSA-N 369.396 4.289 0 40 FIAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F 7651294 AEWIPHCJSLAQHW-UHFFFAOYSA-N 360.379 4.433 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 8007073 RANDGZKYFKVULB-UHFFFAOYSA-N 354.189 4.026 0 40 FIAB CCn1nnc2cc(C(=O)Nc3cccc(-c4csc(C)n4)c3)ccc21 8076335 XEQHFVUTBXREKR-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB O=C(OCc1cc(F)cc2c1OCOC2)C1(c2ccc(F)cc2)CCCC1 16668413 CIWMUIRNFCSFJN-UHFFFAOYSA-N 374.383 4.387 0 40 FIAB CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 71845362 VVPHCLDJSIGVDB-IRXDYDNUSA-N 352.425 4.495 0 40 FIAB Cc1sc(C(=O)N(C)[C@@H](C)c2cnn(C)c2)cc1-c1ccc(F)cc1 95464423 GKZQABNGFFGMDD-LBPRGKRZSA-N 357.454 4.429 0 40 FIAB C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2ccc(OCc3cccnc3)cc2)no1 95943503 RMHVKRNROVIXOB-KUHUBIRLSA-N 363.417 4.183 0 40 FIAB CC[C@H](C(=O)Nc1ccc(Oc2ncccn2)cc1)c1c(C)noc1C 75126608 SRLRUTWMYXYEHS-INIZCTEOSA-N 352.394 4.006 0 40 FIAB COc1ccccc1N(C)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C 89608818 LLRBXTYVDAVNNH-UHFFFAOYSA-N 360.479 4.326 0 40 FIAB O=C(NCc1ccnc(OC2CCCCC2)c1)c1scnc1C1CC1 89786733 JEEOILCMVTXDOF-UHFFFAOYSA-N 357.479 4.057 0 40 FIAB COc1ccc(-c2ccc(OC(=O)c3cccc(Cl)c3)nn2)cc1OC 408531328 LQTWRFRZHNXYBG-UHFFFAOYSA-N 370.792 4.033 0 40 FIAB O=C(NCc1ccccc1OC(F)F)NC[C@@H]1CCCc2ccccc21 504212271 MHISOXFNSVOCAS-HNNXBMFYSA-N 360.404 4.207 0 40 FIAB COc1ccc(N(C(=O)[C@@H]2C[C@]23CCOc2ccccc23)C(C)C)cc1F 509493270 NXSCNCXUSJULSX-JTSKRJEESA-N 369.436 4.316 0 40 FIAB Cc1ccc(-n2nnc(-c3nsc(Nc4ccccc4)n3)c2C)cc1C 33175356 DZMKUSAUGGRENZ-UHFFFAOYSA-N 362.462 4.455 0 40 FIAB Cc1ccc2nc(C)c(C(=O)N3CCC(CN(C)C(C)C)CC3)cc2c1 39563914 AGGWHHSVDHVPSL-UHFFFAOYSA-N 353.510 4.044 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(C)c(C)c1)CC(C)(C)O2 218809408 WGXMSAWQEJQMLS-IBGZPJMESA-N 353.462 4.273 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218973160 FYDWRSVDHORQKO-VQIMIIECSA-N 353.462 4.489 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(Cl)c1 30854187 KCMUSQWEKYTELW-GOSISDBHSA-N 374.868 4.276 0 40 FIAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc(Br)cc1 32027857 HQRVIRQSRJSTRY-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB O=C1Oc2nc3cc4c(cc3cc2CN1Cc1ccc(Cl)cc1)OCO4 72396356 IOFGUKOJNUOEFW-UHFFFAOYSA-N 368.776 4.132 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 224760543 JQUOXUAUCTUNSF-CYBMUJFWSA-N 353.447 4.174 0 40 FIAB CCOc1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)c(F)c1 569113451 FZEVIZBYMIJIDD-GOSISDBHSA-N 362.445 4.037 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCc1cccc(CN2CCCC2)c1 224635890 WSCHZVPFJQHCHY-UHFFFAOYSA-N 374.484 4.131 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc(OC)c(C)c1 224630046 CQPXWPVUWRZGMU-QGZVFWFLSA-N 367.898 4.228 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Sc2ccccc2)n(Cc2ccccc2)n1 44047817 VHQHHRNXSPHWKR-INIZCTEOSA-N 351.475 4.359 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(N3CCCCC3)cc2)c1 225291638 WKZQNTBPRXQUAG-INIZCTEOSA-N 368.477 4.185 0 40 FIAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c(C)n1 225871976 XNZZGGRZQDHPAU-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB COCc1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 225187300 HCGDFXAPKBDZBL-UHFFFAOYSA-N 353.846 4.497 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCCc2cccc(C)c2)c(C)c1 225393160 CMFLMLZZPUYGJG-UHFFFAOYSA-N 370.518 4.399 0 40 FIAB O=C(c1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1)N1CCCCC1 225871146 GWTKQORFPHSJGS-UHFFFAOYSA-N 371.550 4.322 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccccc2)cc1 222874989 OLCYBTWYUYRTAC-FQEVSTJZSA-N 357.519 4.456 0 40 FIAB COc1ccccc1OCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225140175 ILOZMTHWTSBUMJ-KRWDZBQOSA-N 371.477 4.090 0 40 FIAB COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 197668145 OQSZQIVAQVEVDW-SREVYHEPSA-N 368.172 4.469 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)[C@H](C)Cc3ccccc3)ccc21 91061964 OCSHOIMGSICUIM-MRXNPFEDSA-N 350.462 4.193 0 40 FIAB O=C(Nc1ccccc1I)OCc1ccccc1 140999497 CBZURIJDMRNMLW-UHFFFAOYSA-N 353.159 4.040 0 40 FIAB O=C(N1CC[C@H](Oc2ccncc2)C1)C1(c2ccc(Cl)cc2)CCCC1 253398130 GOASAKUTXDDVOG-IBGZPJMESA-N 370.880 4.227 0 40 FIAB Cc1nc(-c2nccn2C)cc([C@@H]2CCCCN2Cc2ccc(F)cc2)n1 257304115 SKDQLHKDLRPKPP-FQEVSTJZSA-N 365.456 4.052 0 40 FIAB C[C@H](NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1)C1CCC1 645913876 RXIATXYNSIIJGP-LBPRGKRZSA-N 361.873 4.002 0 40 FIAB CC1CCN(Cc2cc(Br)ccc2Oc2ncccn2)CC1 575421827 BPZXXZYUPXRKSN-UHFFFAOYSA-N 362.271 4.263 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1CCCC[C@@H]1C(F)(F)F 57142944 XJSDCZATCBJUDR-KGLIPLIRSA-N 352.356 4.327 0 40 FIAB CCOc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 1336786 RSIQSULVFUDLOI-MDWZMJQESA-N 363.457 4.220 0 40 FIAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(Cl)c2c(c1)OCCCO2 5404733 FOIYGNIOIUMXAP-QGZVFWFLSA-N 357.837 4.309 0 40 FIAB CCOC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 5869748 FVGQPZXFWBPWLL-UHFFFAOYSA-N 356.369 4.126 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 13990833 LWAYXGMQQVJGQR-FOCLMDBBSA-N 370.452 4.311 0 40 FIAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1cccc(C)c1 19927608 HSZZKZPELOWBTH-UHFFFAOYSA-N 353.447 4.264 0 40 FIAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1 8332429 ZKJNAFXQFAKUNM-VZCXRCSSSA-N 372.877 4.465 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1OCC(F)(F)F 14205645 FPXUAMAISDHYOV-ZHACJKMWSA-N 357.353 4.040 0 40 FIAB CCOc1ccccc1C(=O)N1CCN=C1SCc1cccc(C)c1 4120186 OOLWYTWQCBLWIO-UHFFFAOYSA-N 354.475 4.139 0 40 FIAB Clc1ccc(-c2nn3c(-c4cnccn4)nnc3c3ccccc23)cc1 20717420 VVUYGRVRAZCMEM-UHFFFAOYSA-N 358.792 4.055 0 40 FIAB Cc1ccc(Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 5398069 CYRNWZFIAAMUDY-UHFFFAOYSA-N 355.235 4.030 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 40111598 GLMZJSFYGQFEAH-UHFFFAOYSA-N 365.481 4.027 0 40 FIAB O=C(O)/C=C\C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 30738764 FGSOGUFVJAZBNH-FPLPWBNLSA-N 352.173 4.365 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2cc(OCC)ccc2OCC)cc1 51354274 UNCIHKIEUBFIJS-UHFFFAOYSA-N 372.421 4.305 0 40 FIAB CCOc1ccc(C(C)=O)cc1COc1ccc2c(C)cc(=O)oc2c1 21006519 MICTWUGAEJMGOW-UHFFFAOYSA-N 352.386 4.282 0 40 FIAB CCc1cc2c(SCC(=O)Nc3cccc(C(C)=O)c3)ncnc2s1 2623658 JNWQPNKBPCEMBP-UHFFFAOYSA-N 371.487 4.187 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccccc1F 2639513 LVPKJHXTBYVNEZ-UHFFFAOYSA-N 371.843 4.271 0 40 FIAB CCOc1ccc(-c2cnc(NC[C@H]3C[C@H]4C=C[C@H]3C4)n2CCOC)cc1 102513713 CNBSOBWGCNVJGG-YTQUADARSA-N 367.493 4.219 0 40 FIAB CCCn1cnc2c(SCc3ccc(Cl)cc3Cl)nc(N)nc21 1676891 XDQFRIAWIKDQMA-UHFFFAOYSA-N 368.293 4.418 0 40 FIAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CCCCC2 79473340 BRTAVWYRVUWOCD-FXAWDEMLSA-N 368.521 4.350 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3C)n2)cc1 8726773 OLUJRMGNTPGPEM-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Brc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCC4 2786153 MSTWPFSYKKZTTR-UHFFFAOYSA-N 371.263 4.257 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 6347840 BBTNPTGTZPBWCD-UHFFFAOYSA-N 352.463 4.122 0 40 FIAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 6959406 WCZDZMCDKVPXIK-UHFFFAOYSA-N 361.825 4.186 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 7641942 SOEHWGXWTSCTHX-OAHLLOKOSA-N 354.475 4.241 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(Br)cc1 670718 MINWVWJATNWABW-UHFFFAOYSA-N 355.615 4.395 0 40 FIAB O=C(NC(=S)NCc1ccccc1)C(c1ccccc1)c1ccccc1 8381227 IAPFKNMMGIAAQH-UHFFFAOYSA-N 360.482 4.009 0 40 FIAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl 8699186 YQSKYFYLKJOQMT-HZPDHXFCSA-N 350.245 4.294 0 40 FIAB CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccccc4)cc23)C1 751876 LEZZBSWCAXUCRK-UHFFFAOYSA-N 369.442 4.389 0 40 FIAB Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCC(C)CC3)c(N)c12 27789219 QTQVPDHCJICCSM-UHFFFAOYSA-N 366.490 4.121 0 40 FIAB COc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 9063387 YPHLQYIZHUGDKY-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB O=C(Nc1cccc(-n2ccnc2)c1)c1ccccc1C(=O)c1cccs1 47533752 YXMKVAGBMBORAT-UHFFFAOYSA-N 373.437 4.417 0 40 FIAB COc1ccc2c(C)cc3nn(CN(C)C4CCCC4)c(=S)n3c2c1 12552702 LFJRXXJNXZDMAG-UHFFFAOYSA-N 356.495 4.167 0 40 FIAB O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cnc(Cl)c(Cl)c1 24776653 OPRIDZJMKYHIMD-UHFFFAOYSA-N 368.195 4.128 0 40 FIAB Cc1cccc(-c2nc(NC(=O)COc3ccc(C(C)C)cc3)no2)c1 21806588 NSVOGMUNRZJDLB-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB COc1ccc(/C=C/C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1OC 1480311 QUVISSHTXPZZKX-JBNJFFQFSA-N 355.409 4.224 0 40 FIAB Cc1nc(C(F)(F)F)c(C(=O)OCC(=O)c2ccc(Cl)cc2)s1 1400167 IBGLYUSQCYZPED-UHFFFAOYSA-N 363.744 4.163 0 40 FIAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(Br)cc1 37790831 UOJBWIMRSDHTLU-JTQLQIEISA-N 354.194 4.088 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)n1 25602433 FSPRGZIPYNLQTN-UHFFFAOYSA-N 363.339 4.010 0 40 FIAB O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)C1CCC1 12629351 VMMXULFWEWASQU-UHFFFAOYSA-N 363.339 4.435 0 40 FIAB CC(C)N(Cc1cccnc1)C(=O)c1cccc(OCc2cccnc2)c1 58370328 SGIPNDCEPGTSEO-UHFFFAOYSA-N 361.445 4.106 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)cc1C 28048001 OATUUVSHBMSWHD-ZDUSSCGKSA-N 368.296 4.105 0 40 FIAB COc1ccc(CNC(=O)CSc2cccc(C(F)(F)F)c2)cc1 3326988 ARBUVOAQDUUMOG-UHFFFAOYSA-N 355.381 4.123 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(n3c(C)ccc3C)CC2)cc1F 58441575 UMZWLLSJVHWNHZ-QGZVFWFLSA-N 357.473 4.217 0 40 FIAB CCn1c(NC(=O)c2occc2COc2ccccc2)nc2ccccc21 10652442 JEQVXRMOHIPSPR-UHFFFAOYSA-N 361.401 4.481 0 40 FIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1cccc(C(F)(F)F)c1 12760475 XDECQRDTWMIJEN-GFCCVEGCSA-N 362.351 4.012 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 10941322 VWMBHNYZNLMKAF-UHFFFAOYSA-N 357.841 4.048 0 40 FIAB C[C@H]1CN(Cc2csc(=S)n2-c2c(F)cccc2F)C[C@@H](C)O1 12857840 SCXNZAJOVQPDFV-PHIMTYICSA-N 356.463 4.156 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccnn1Cc1cccs1 12810899 WYCYQNZMNHSGNN-GFCCVEGCSA-N 361.854 4.052 0 40 FIAB CCn1ncc2c(C(=O)Nc3nc(C)cs3)cc(-c3ccccc3)nc21 8747696 AJZLGXMWFYLXDI-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB COc1cccc([C@H](CNC(=O)Nc2cccc(Cl)c2)N2CCCC2)c1 12998753 UDSRCOQQMUTPEJ-IBGZPJMESA-N 373.884 4.307 0 40 FIAB C[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2 12979065 UBEDJNIBWMRXIN-LLVKDONJSA-N 366.244 4.185 0 40 FIAB O=C(Nc1ccccc1O)C1CCN(C(=O)c2cccc3ccccc23)CC1 13009636 NYXWIQZUOXDNEC-UHFFFAOYSA-N 374.440 4.036 0 40 FIAB Cc1cc2oc(=O)cc(CN(C)CCOc3ccccc3F)c2cc1C 13001117 GCIVFBJJGQUUHP-UHFFFAOYSA-N 355.409 4.060 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)OCc3cc(-c4ccco4)on3)cc2)n1 18353461 YSTXFPPHOXEJDA-UHFFFAOYSA-N 363.373 4.094 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COc1cccc2ccc(C)nc12 5198681 OSIRWWNSLXRDAG-UHFFFAOYSA-N 356.809 4.223 0 40 FIAB O=C(CSc1nncn1C1CC1)N(c1ccccc1)C1CCCCC1 14137004 VJPGXQHKAKONSE-UHFFFAOYSA-N 356.495 4.071 0 40 FIAB COc1ccc2c(c1)CCc1cc(C(=O)NCCCOC(C)C)sc1-2 14250226 HKAJPKFTKNXLPR-UHFFFAOYSA-N 359.491 4.067 0 40 FIAB CN(C)c1ccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 5403528 SUXXRFYJNLYZAN-UHFFFAOYSA-N 374.440 4.362 0 40 FIAB CCCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 6509775 HHWJSTSTXKGDIH-UHFFFAOYSA-N 371.868 4.185 0 40 FIAB Cc1cc(CNCCCN2CCCC[C@@H]2C)c(C)n1-c1ccnn1C(C)C 6651233 ADCOFZNHLVXLOQ-SFHVURJKSA-N 371.573 4.226 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)COc2ccccc2C)cc1OCC 7404919 RJGSEXRPOGIDDL-INIZCTEOSA-N 357.450 4.049 0 40 FIAB Clc1cc(Br)ccc1OCc1nnc(-c2ccco2)o1 7645972 WXBPVZNOUHEWBR-UHFFFAOYSA-N 355.575 4.325 0 40 FIAB CCN(C(=O)c1cc(=O)[nH]c2ccccc12)c1nc2c(C)cccc2s1 16045243 GHKRGRACPGXMGC-UHFFFAOYSA-N 363.442 4.113 0 40 FIAB Nc1c(C(=O)Nc2ccccc2C(=O)c2ccccc2)sc2ncccc12 9295621 WAULMFMOMOXSHG-UHFFFAOYSA-N 373.437 4.362 0 40 FIAB O=C1c2ccccc2[C@@H](NCCc2ccccc2)N1CCc1ccccc1 19848924 RHZZAKVHTZHLJV-QHCPKHFHSA-N 356.469 4.216 0 40 FIAB CCCOc1ccc(/C=C/C(=O)OCCCNC(C)(C)C)cc1OCC 84758607 AGQXOENVOVMUAH-ZRDIBKRKSA-N 363.498 4.209 0 40 FIAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)[C@H](c1ccccc1)C(C)C 95959885 ZJWGAFQEHUARRM-SFHVURJKSA-N 363.527 4.099 0 40 FIAB COc1ccc(NC(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)cn1 175008106 QLBQGFGXKKIYII-ZDUSSCGKSA-N 360.483 4.082 0 40 FIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)o3)S2)cc1 408776485 OQQMSQHSEDDJIM-MBGNVJMVSA-N 371.506 4.288 0 40 FIAB O=C1N/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1c1cccc(Cl)c1 409065907 VERIJOZXGJRCGM-FOWTUZBSSA-N 371.824 4.021 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)nc3)c2)n1 32024977 LPSIPRCXYFSHAN-UHFFFAOYSA-N 358.323 4.118 0 40 FIAB O=C(NCCC1=CCCCC1)c1ccccc1SCC(=O)N1CCCC1 35871056 RNBCPRFYTQQGLD-UHFFFAOYSA-N 372.534 4.021 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cn1 225863314 BLZYDCHYYSRWAS-UHFFFAOYSA-N 374.868 4.211 0 40 FIAB O=C(Cn1c(C2CCCCC2)nc2ccccc21)N1CCc2ccncc21 329674829 OTGYQIAGRODXAT-UHFFFAOYSA-N 360.461 4.068 0 40 FIAB COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1Cl 225790651 CRARLZXYXUBZBT-UHFFFAOYSA-N 372.852 4.227 0 40 FIAB Cc1ccc(NC(=S)NCc2cccc(CN3CCCCC3)c2)cc1 224703755 CTNHVTIKXPWISV-UHFFFAOYSA-N 353.535 4.468 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCc1cccnc1OCc1ccccc1 48354668 POEHOTAHYZRVPU-UHFFFAOYSA-N 371.440 4.001 0 40 FIAB COc1cccc2c1N(C(=O)C(C)(C)Br)C(C)(C)C[C@H]2C 223239065 ZOMJUAODVWYUES-LLVKDONJSA-N 354.288 4.488 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)OCO2 224895508 BDQBQCDCZDUSOC-GOSISDBHSA-N 353.418 4.090 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222942430 VFXWMBKXZVRZGU-LBPRGKRZSA-N 373.324 4.425 0 40 FIAB c1ccc(N2Cc3ccccc3C3(CCN(C4CCOCC4)CC3)C2)cc1 96242465 WSURWXKDISIYIJ-UHFFFAOYSA-N 362.517 4.219 0 40 FIAB COc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)s2)cc1 247899829 FKFGESVOOFWKEA-FHLIZLRMSA-N 366.486 4.283 0 40 FIAB CC1=CN2C(c3ccc(Cl)cc3)=NON(c3ccc(C)cn3)[C@H]2C=C1 5553570 VZIMMXPEHOGLBU-SFHVURJKSA-N 352.825 4.259 0 40 FIAB Cc1ccc(-c2nc(N[C@@H](C)c3ccccn3)ncc2-c2cnccn2)o1 12089521 NIQALKDLAPHZEE-AWEZNQCLSA-N 358.405 4.070 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 12506569 PNTIGADMPXPPIB-INIZCTEOSA-N 360.244 4.246 0 40 FIAB COC(=O)C[C@H](NC(=O)Cc1coc2c(C)c(C)ccc12)c1ccccc1 12875087 HFZSBROOEANIQD-IBGZPJMESA-N 365.429 4.013 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)Nc2cccc(OC)c2)cc1OCC 13048094 PQRXHALCRXAZCD-CQSZACIVSA-N 358.438 4.375 0 40 FIAB Cn1cc(-c2csc(NC(=O)C3CCCC3)n2)c(-c2ccc(F)cc2)n1 19697051 DCGPMZSEUSNEOT-UHFFFAOYSA-N 370.453 4.478 0 40 FIAB CCOc1ccc2ccccc2c1/C=c1\sc2nc3ccccc3n2c1=O 165198914 BVIUXZCVBKKGDK-MOSHPQCFSA-N 372.449 4.009 0 40 FIAB COc1ccc2c(c1)OCC(CNCCc1ccc(C(F)(F)F)cc1)=C2 19715757 DSNRXAFXXKQPKY-UHFFFAOYSA-N 363.379 4.322 0 40 FIAB Cc1nn(CCNC(=O)c2ccc(Cl)s2)c(C)c1-c1ccccc1 238882490 PMUCHGDKCKLLDS-UHFFFAOYSA-N 359.882 4.312 0 40 FIAB COc1cccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)c1 2723081 LMQWBALHSFWHKC-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB COc1cccc(CNc2ccc3c(c2)nc(CN2CCCCC2)n3C)c1 4625752 KGGVNNCKCNPQAN-UHFFFAOYSA-N 364.493 4.180 0 40 FIAB Cc1c(-c2cccc(NC(=O)CCc3ccccc3)c2)nc2ncccn12 16991697 YAOKRTHCDSSEMP-UHFFFAOYSA-N 356.429 4.276 0 40 FIAB CC[C@H](C(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccccc1 1775967138 GWYSLGJDPNAVTI-JKSUJKDBSA-N 355.459 4.352 0 40 FIAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215708888 DAGWNWIGUQWYKB-UHFFFAOYSA-N 366.368 4.161 0 40 FIAB COc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1OC1CCCC1 20744856 BYYDCGFNDJMGOG-KRWDZBQOSA-N 359.451 4.164 0 40 FIAB Cc1ccc(F)c(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 32578613 OTVHELJCFJHLRT-UHFFFAOYSA-N 369.396 4.325 0 40 FIAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccccc1)O[C@@H](C)C2 32756078 QPDBNAQHYFPUER-AWEZNQCLSA-N 353.418 4.010 0 40 FIAB COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(C)C 662831 NELZMAJZXNQWPQ-GZTJUZNOSA-N 351.402 4.135 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccc(O)cc2oc1=O 845978 HXCVLPMWPAHOKY-UHFFFAOYSA-N 350.157 4.058 0 40 FIAB COc1cc2ncnc(NCc3cccc(C(F)(F)F)c3)c2cc1OC 1405349 OCAAFYBJLXSSPJ-UHFFFAOYSA-N 363.339 4.278 0 40 FIAB CCCC(=O)c1c(Nc2ccc(Br)cc2)cc(C)oc1=O 1430680 MIWRWCGZXLBYGC-UHFFFAOYSA-N 350.212 4.437 0 40 FIAB Cc1ccc(/C=C2\NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 2284978 LFVCZOLXKFALSP-DHDCSXOGSA-N 362.376 4.276 0 40 FIAB O=C(Cc1cccc(Cl)c1)c1ccc(I)cc1 2392999 REAJFAHMDVZIMI-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB Cc1cccc(NC(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c1C 2616727 RSXFLSXJWZXJNQ-UHFFFAOYSA-N 365.351 4.047 0 40 FIAB O[C@@H](CNCCc1ccc(Cl)cc1)COc1ccc2ccccc2c1 3383818 HTUFETLGSIIEPM-FQEVSTJZSA-N 355.865 4.065 0 40 FIAB COC(=O)c1ccc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)o1 3513975 DVUNKXBLVFKREK-UHFFFAOYSA-N 354.333 4.015 0 40 FIAB Cc1cccc(C)c1N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 4450198 UTASOBALAXTLIP-UHFFFAOYSA-N 352.522 4.168 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C)CC3 4591815 CHHIEYAYURNGFP-GFCCVEGCSA-N 356.516 4.353 0 40 FIAB CCOc1ccc(NC(=O)CC[C@@H]2CC(=O)O[C@H]2c2ccccc2)cc1 5002239 LNTKWHMUQFZRFY-IERDGZPVSA-N 353.418 4.108 0 40 FIAB CC(C)COC(=O)Nc1nnc(-c2ccccc2Br)s1 5563120 IUVVFIWPBITXRK-UHFFFAOYSA-N 356.245 4.172 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COc1cccc2c1OC(C)(C)C2 5575882 JBGDRRZOOFJVCT-UHFFFAOYSA-N 361.825 4.080 0 40 FIAB Cc1ccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)nc1 6107198 RPKXUSCKNIFAIP-UHFFFAOYSA-N 359.454 4.381 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)c1 6207180 FCOXENSYZKIKOF-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 6649461 VEPJDTYFBZXKJR-INIZCTEOSA-N 370.518 4.477 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2)n1C)c1nnc(-c2ccccc2)o1 7831315 VMIQUOJYNZHBBO-ZDUSSCGKSA-N 363.446 4.385 0 40 FIAB O=C(O)c1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 7884185 SOFNDAODLAEYBG-FQEVSTJZSA-N 358.397 4.152 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 8041427 QLTHSJCUBZGEJJ-BEFAXECRSA-N 354.450 4.011 0 40 FIAB COc1cccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1O 8168716 PSACOJGXBHUEHF-ZSOIEALJSA-N 361.806 4.295 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 9064405 GNGDPKSCCMLWKX-OAHLLOKOSA-N 352.434 4.089 0 40 FIAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 9502659 BMNAODSPSODLIE-QWHCGFSZSA-N 371.437 4.234 0 40 FIAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4cccnc4)ccc3o2)cc1 9659983 GDZPXDKRENAIEK-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 9762403 IAZOSHGEBKOJBJ-DVQDXYAYSA-N 366.490 4.024 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900148 WEXHQOZMWAHOST-CYBMUJFWSA-N 354.837 4.174 0 40 FIAB O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544605 LSQCTEXWGUEIGY-GFCCVEGCSA-N 357.816 4.375 0 40 FIAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C)C(=O)NCc2cccs2)c1 10879975 ALKYCIPBLATKPO-HNNXBMFYSA-N 371.531 4.348 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3CC=CCC3)n2)c(F)c1 10993767 VKBUTRAPTRSEGO-LBPRGKRZSA-N 359.426 4.202 0 40 FIAB CCn1ncc2c(C(=O)N3CCc4ccccc43)cc(-c3ccccc3)nc21 11367924 DJZDUJABVQGMEG-UHFFFAOYSA-N 368.440 4.321 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CN2CCC[C@@H]3CCCC[C@@H]32)c1 11470769 XDYKPDWQBQHKHQ-LPHOPBHVSA-N 360.498 4.077 0 40 FIAB CC(=O)O[C@@H](Cn1nc(C)cc1C)Cn1c2ccccc2c2ccccc21 11667601 FWGZZKLLZRBFMA-GOSISDBHSA-N 361.445 4.240 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3ccccc3Cl)n2)cc1 11914939 CTAQVJFLGBGBDN-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cn2ccccc2n1 12547810 NEGCQQFHVMGGCG-UHFFFAOYSA-N 368.849 4.287 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(F)cc2)c(OC)c1 12820412 AAXHKZNCUOPPKZ-UBIUBJKMSA-N 355.409 4.220 0 40 FIAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3F)s2)cc1 13007753 MLLSUEJLZZUDKH-ZRDIBKRKSA-N 366.417 4.305 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCc4ccccc43)c2C1 14184102 TVGUHRRXUJCBRM-OAQYLSRUSA-N 371.484 4.030 0 40 FIAB COc1ccc(C)cc1-n1nnc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 15673821 KEVXSMXNRJAJJO-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB COc1ccc(-c2nc(CNC(=O)c3ccccc3Cl)cs2)cc1 15832642 ZVZXHJHPFWZPDB-UHFFFAOYSA-N 358.850 4.402 0 40 FIAB CNc1snc(C)c1C(=O)OCc1csc(-c2cccs2)n1 16552784 MJZKEWNKAXXHQM-UHFFFAOYSA-N 351.478 4.035 0 40 FIAB COc1ccc2oc(C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2c1 19563583 SIOMOESMUYQUHE-UHFFFAOYSA-N 369.392 4.264 0 40 FIAB CC1(C)C[C@H](NC(=O)c2ccc3c(c2)ncn3C2CC2)c2ccccc2O1 19714302 STIIEYTWTXSAQQ-SFHVURJKSA-N 361.445 4.403 0 40 FIAB O=C(Cc1cnc(-n2cccc2)s1)NCc1ccc(Cl)c(Cl)c1 20714352 WLHYHLZJPRGXIP-UHFFFAOYSA-N 366.273 4.100 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(O)=N2 20721005 PDXSHZYYRBJBEU-ZDUSSCGKSA-N 373.338 4.113 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)nc3)n2N)cc1 21564563 MDIZSRQTJAZBJU-UHFFFAOYSA-N 373.913 4.297 0 40 FIAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1cccnc1Cl 22408493 GVRIFWQIEHMUTI-UHFFFAOYSA-N 360.822 4.328 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 22512272 GPHSQZVJQSITIQ-UHFFFAOYSA-N 350.506 4.499 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 22699185 LMUXLRBTISQJSA-GOSISDBHSA-N 374.440 4.438 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)Nc1ccccc1 22906844 ACDAAMCEVVEGFE-FQEVSTJZSA-N 361.445 4.201 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 23224346 IYPKPILJUXJVEB-UHFFFAOYSA-N 364.489 4.229 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccccc2C)c1 25078595 XKSXDPXZGSZDPF-OAHLLOKOSA-N 359.491 4.123 0 40 FIAB Cc1cc(C(=O)CN2CCC(C(=O)c3ccccc3)CC2)c(C)n1C1CC1 25946660 GZZGCOZEPADYNR-UHFFFAOYSA-N 364.489 4.217 0 40 FIAB CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)n1 27813453 UJFYHLZVPLZMEC-NSHDSACASA-N 356.451 4.091 0 40 FIAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1cccnc1 28344081 IDDCGSHUAAIWTA-UHFFFAOYSA-N 373.481 4.441 0 40 FIAB O=C(NCCSCc1ccsc1)c1ccc(CN2CCCCC2)cc1 32845537 MNVANEURKFWYOL-UHFFFAOYSA-N 374.575 4.397 0 40 FIAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3s2)c(C)n1C1CC1 36383375 HPHUTKDFATXMLO-UHFFFAOYSA-N 353.491 4.364 0 40 FIAB CCCCc1nc(Cl)c(CO)n1Cc1ccc(Br)cc1 38930832 LOSZLEJFCKVKOK-UHFFFAOYSA-N 357.679 4.182 0 40 FIAB in-vitro COc1ccc(CNCc2cn3ccccc3n2)cc1OCc1ccccc1 39979604 JMLBEQBVHPSHLZ-UHFFFAOYSA-N 373.456 4.212 0 40 FIAB CC(=O)c1ccc(NC(=O)Cn2ccc3c(Br)cccc32)cc1 40287592 OMXIGCMWWFGLLN-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB CC(=O)c1c(O)cc(OCc2ccccc2)c(O)c1OCc1ccccc1 40434522 LCOBNBPKWCKAKF-UHFFFAOYSA-N 364.397 4.458 0 40 FIAB COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 44842493 OIOHPBASPKYWSR-HNNXBMFYSA-N 371.477 4.258 0 40 FIAB O=C(Nc1nnc(-c2ccsc2)s1)c1ccccc1Br 48706485 PCTQGZBLXKTQBN-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB Cc1cc2nc(N3CCC(n4c(C)ccc4C)CC3)c3ccccc3n2n1 58157945 YKTVESVWVBMVHT-UHFFFAOYSA-N 359.477 4.451 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)cc1OC 58197319 ZZTAFOGMBZJQFN-GFCCVEGCSA-N 370.430 4.117 0 40 FIAB CO[C@H](CNCc1c(C)nn(Cc2ccccc2)c1Cl)c1ccccc1 60528374 BITOLRRNXCVENX-HXUWFJFHSA-N 369.896 4.371 0 40 FIAB Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc(-c2ccc(F)cc2)n1 67257140 VOUZHZIHLLGAGP-UHFFFAOYSA-N 371.412 4.461 0 40 FIAB CCCCOc1ccc(C(=O)NC[C@H](O)c2cccc3ccccc23)cc1 70636036 ZFVVKKMCHIYKEV-QFIPXVFZSA-N 363.457 4.482 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1 71286186 NZULTLRUUJIIPP-UHFFFAOYSA-N 363.417 4.035 0 40 FIAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(C(F)(F)F)cc2)c1 72329127 KPKAEDNRNKGAIB-UHFFFAOYSA-N 359.351 4.334 0 40 FIAB COCCOCCC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@H]1C 74338805 IYHCZWMAVUPOSN-IIMJZQEZSA-N 361.507 4.110 0 40 FIAB Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1Oc1ccccc1 83541534 KBQJSHAFUXAZOK-QGZVFWFLSA-N 363.421 4.035 0 40 FIAB Cc1cc(C)n(-c2ccc(NCC(=O)NC3CCCCCCC3)cc2F)n1 84105080 LHUVLKVKWSVISE-UHFFFAOYSA-N 372.488 4.269 0 40 FIAB O=C(NC[C@@H]1CCCN1CC1CCCCC1)Nc1ccc(F)cc1F 89769632 MUSPANWCSLZFRZ-INIZCTEOSA-N 351.441 4.131 0 40 FIAB O=c1ccc(-c2ccccc2F)nn1CCCSCc1ccccc1 89840326 LUCRSBULLYRBDF-UHFFFAOYSA-N 354.450 4.373 0 40 FIAB CO[C@H](CNC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 96388898 AKDZTLHKCDTAQC-OAHLLOKOSA-N 356.319 4.354 0 40 FIAB Cc1cccc(N/C=C2\C(=O)N(c3nccs3)C(=O)c3ccccc32)c1 101268346 BRRMEPQZLOZDNG-ATVHPVEESA-N 361.426 4.092 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)s2)cc1 101554214 JTUVEVPYLWRGKY-FZNQNYSPSA-N 372.490 4.048 0 40 FIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3cccnc3)[C@@H]1[C@H]2C 105366436 BPMYDYKKXHFZDO-UDKQVLDHSA-N 358.482 4.122 0 40 FIAB CCc1ccc(OCC(=O)NCc2cccc(C)c2)c(Br)c1 218865657 GCBGTLFRIOYABE-UHFFFAOYSA-N 362.267 4.015 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219294280 ZRWCHHYDCMNHOX-MAUKXSAKSA-N 353.462 4.435 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3)N21 222648049 HNAMTAANIYPADF-ATZDWAIDSA-N 353.491 4.378 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1C(C)C 223229294 PCUPQCNZDYWIEB-OAHLLOKOSA-N 373.518 4.347 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 224017452 BBYYRUAGUSZODP-GOSISDBHSA-N 363.457 4.419 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2CCCCCC2)c1 224949942 VPAQHCVVDPKUKC-LJQANCHMSA-N 360.542 4.268 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225181794 XBEIUKLRKRCIJO-UHFFFAOYSA-N 370.474 4.224 0 40 FIAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 226170341 ZANHFFQEVFCQHR-ZRCGQRJVSA-N 367.533 4.174 0 40 FIAB COc1ccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1 226271893 HNBJCHJNYNWXJL-UHFFFAOYSA-N 350.296 4.029 0 40 FIAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc2sc(N)nc12 226309681 QNQGLLLBOONWHJ-UHFFFAOYSA-N 355.463 4.437 0 40 FIAB CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)n1 257313458 USNUBCSUYMEGPR-IBGZPJMESA-N 373.447 4.053 0 40 FIAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 329197633 VJPQWALMPDEIJJ-MRXNPFEDSA-N 370.453 4.348 0 40 FIAB CCOc1ccc(NC(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1 390829168 DDUJWEQHONZFEF-LJQANCHMSA-N 354.406 4.341 0 40 FIAB CSc1ccc(C(=O)N2CC[C@@H](n3c(C)nc4ccccc43)C2)cc1 575618883 WZRKUIZRDHDZCL-MRXNPFEDSA-N 351.475 4.154 0 40 FIAB CC[C@H](OC1CCCCC1)c1nc(CC(=O)Nc2ccc(C)cc2)no1 585083989 MVUAYNGLEIBEGT-KRWDZBQOSA-N 357.454 4.360 0 40 FIAB O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC(CC3CC3)C2)c1 621408506 BXCWERANNSCSTE-UHFFFAOYSA-N 367.424 4.342 0 40 FIAB CCC1(CNC(=O)Nc2ccc(Nc3ccccc3)cn2)CCOCC1 1663545872 LJRKZVGLMPNPFL-UHFFFAOYSA-N 354.454 4.154 0 40 FIAB CC(C)SCc1nnc2sc(COc3ccccc3Cl)nn12 1776110959 AMCFCNPCQBMDAX-UHFFFAOYSA-N 354.888 4.060 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1nc(-c2ccccc2)cs1 622349 FZYXRVSKIXVVBQ-UHFFFAOYSA-N 372.833 4.259 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c1 915503 SQFMEERCXXJMLF-VLIAUNLRSA-N 368.506 4.086 0 40 FIAB Clc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1Cl 978375 RZBWJWROJILAKL-UHFFFAOYSA-N 358.188 4.291 0 40 FIAB COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NC2CCCCC2)cc1 1381185 GFKSHGALZSIDSJ-GOSISDBHSA-N 373.474 4.104 0 40 FIAB O=C(COC(=O)c1cccs1)Nc1ccc(Oc2ccccc2)cc1 1972510 AJBYLJBYUOMZFQ-UHFFFAOYSA-N 353.399 4.336 0 40 FIAB CCCCCn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21 2587676 GEFRZFSCUVHZFK-UHFFFAOYSA-N 368.408 4.289 0 40 FIAB CC(C)CCOC(=O)/C=C/c1cccc(N2C(=O)c3ccccc3C2=O)c1 3039373 YHRBWDXEWOGVOZ-ZHACJKMWSA-N 363.413 4.090 0 40 FIAB COc1cc(SC)ccc1C(=O)OCC(=O)N(c1ccccc1)C(C)C 3226267 YIZAQGYXIGTHCH-UHFFFAOYSA-N 373.474 4.016 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1 3240313 OTSRJKCVGRHFMK-UHFFFAOYSA-N 368.458 4.028 0 40 FIAB COc1ccc(/C=C/C(=O)OCc2nc3ccccc3s2)cc1OC 3247686 BTORWOVWDPJCCE-CSKARUKUSA-N 355.415 4.070 0 40 FIAB Cc1ccc(-n2c(S[C@@H]3CCCCC3=O)nc3ccccc3c2=O)cc1 3256805 LQUNMIIIOYGQFD-LJQANCHMSA-N 364.470 4.298 0 40 FIAB CCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1OCC 3295985 FEHMGKUKWWGBPO-UHFFFAOYSA-N 368.838 4.239 0 40 FIAB CC(=O)Nc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 3344901 JKJUABBIBWUPOF-UHFFFAOYSA-N 354.431 4.142 0 40 FIAB COc1ccccc1CN(C)CC(=O)Nc1ccccc1Cc1ccccc1 3420138 IPPQCOQWYZQSQG-UHFFFAOYSA-N 374.484 4.357 0 40 FIAB COc1ccc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2c1 3479362 NUSUTPNANVRZOC-UHFFFAOYSA-N 354.765 4.489 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)cc1 3621439 NCDUHBWBNIVZKA-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2ccc(-c3ccncc3)nn2)c(C)c1 4358053 JOQJRHAFOKPOJP-UHFFFAOYSA-N 364.474 4.195 0 40 FIAB CCCCCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 4413002 NZEINZQADWNFRY-HXUWFJFHSA-N 353.462 4.151 0 40 FIAB biogenic C[C@@H](CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C)C 4672277 GITPWLWBSBMIGW-ZDUSSCGKSA-N 373.909 4.081 0 40 FIAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1cccc(Cl)c1)OCCCO3 5355021 MUAZVUWYQFUGRZ-ZDUSSCGKSA-N 357.837 4.261 0 40 FIAB CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2F)c(C)n1 5404565 WYUUHNPTFHNWPU-UHFFFAOYSA-N 353.850 4.179 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 5749782 QMWRUQZKGYDCCA-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB O=C(O)[C@@H](Cc1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 5900596 KEVUXWPBCRMXKC-HXUWFJFHSA-N 360.413 4.230 0 40 FIAB O=C(NC(=S)NC1CCCCC1)C(c1ccccc1)c1ccccc1 6227564 NPKOGEBARMGJBH-UHFFFAOYSA-N 352.503 4.142 0 40 FIAB Cc1ccc(C)c(OCCC(=O)Nc2nnc(Cc3ccccc3)s2)c1 6334503 XBXHDZCASZIAJU-UHFFFAOYSA-N 367.474 4.153 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 6356239 AQSAZTVDSWMZAU-UHFFFAOYSA-N 372.881 4.418 0 40 FIAB Cc1ccc2nc(SCC(=O)N[C@H]3CCCc4ccccc43)[nH]c2c1 6506608 SAUIABGZQZLXPP-INIZCTEOSA-N 351.475 4.157 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=O)c2c(OC)cccc2OC)c1 6594894 HEHZJGJCGNHJRN-UHFFFAOYSA-N 356.422 4.085 0 40 FIAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(OC[C@H]2CCCO2)cc1 6852744 UUZOZQAYZVYOCK-IEBWSBKVSA-N 369.486 4.211 0 40 FIAB CN(C)C(=O)[C@H](Sc1nnc(Nc2ccccc2)s1)c1ccccc1 6978512 AEPXPYWDIZOTRD-OAHLLOKOSA-N 370.503 4.203 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2ccc(OC(F)F)cc2)o1 7196040 UATYHCKRPQOAFD-UHFFFAOYSA-N 366.345 4.214 0 40 FIAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(s1)CC[C@H](C)C2 8249686 RQONVEWWLVDWCZ-AWEZNQCLSA-N 370.518 4.146 0 40 FIAB Cc1sc2nc(SCCN3CCCCC3)n(C(C)C)c(=O)c2c1C 8393365 OOYAXYYZKPNTGN-UHFFFAOYSA-N 365.568 4.234 0 40 FIAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(Cc2ccc(F)cc2)o1 8921332 GOFMSQXVSSYFCH-JXMROGBWSA-N 357.772 4.105 0 40 FIAB Cc1cccc(/C=C(\Cl)c2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)c1 9112772 VZFSNJFLCCKWDU-XFFZJAGNSA-N 360.822 4.037 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)o1 9477564 DXQBFXALQPGMEX-SUVVTNLASA-N 352.434 4.149 0 40 FIAB CC[C@@H](O)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)OCCO2 9972074 DFVBWGLEKOQUAT-OAHLLOKOSA-N 362.813 4.199 0 40 FIAB CCc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1 10157411 YBQQNRUKMIFYSG-UHFFFAOYSA-N 371.444 4.303 0 40 FIAB Cc1ccc(-c2nnn3c2nc(N2CCC[C@@H](C)C2)c2ccccc23)cc1 10433683 GPPRHVFVBSGLFF-MRXNPFEDSA-N 357.461 4.489 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1Cl 10841882 BUXHESFGNWWOMI-GFCCVEGCSA-N 357.841 4.128 0 40 FIAB Cc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)c2ccccn2)cc1 11915870 BQEXMMPOJSMQRC-UHFFFAOYSA-N 370.408 4.343 0 40 FIAB COc1cccc(CNc2ncc(-c3cc(C)no3)c(-c3ccoc3)n2)c1 12252250 VSVCFYCLLYIOSO-UHFFFAOYSA-N 362.389 4.321 0 40 FIAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccccc3C(C)C)ccc21 12633454 CYMYAVCRNXWCTG-OAHLLOKOSA-N 365.477 4.158 0 40 FIAB C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1Cl 12924522 JDMYJVDKQCAHJG-BZNIZROVSA-N 360.866 4.020 0 40 FIAB COc1ccc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1OC 13000887 BATWMGGJQKBJFJ-UHFFFAOYSA-N 354.406 4.016 0 40 FIAB CC(=O)CCc1ccc(Oc2ccc3nnc(-c4ccccc4)n3n2)cc1 13693764 QLXIDDLZOVYOGV-UHFFFAOYSA-N 358.401 4.105 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccc2c(c1)OCCCO2 14386159 JWGSYUXYXPRNEW-UHFFFAOYSA-N 363.413 4.264 0 40 FIAB COc1cc(NC(=O)CCCSc2nc3ccccc3[nH]2)cc(OC)c1 15075810 NWOBFRIZWHEJJF-UHFFFAOYSA-N 371.462 4.091 0 40 FIAB COC(=O)c1c(SCc2ccc(C)cc2C)[nH]c2ccccc2c1=O 15731499 HIGYKFYGBZHBMO-UHFFFAOYSA-N 353.443 4.224 0 40 FIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 16751245 OZQPLDOFDIRMRO-QGZVFWFLSA-N 353.805 4.402 0 40 FIAB CCn1c(C)nc2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc21 19656629 RLRDRUGBAQLQJZ-UHFFFAOYSA-N 362.355 4.339 0 40 FIAB Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)n1 19716909 UUUARSOJBUMLIP-AWEZNQCLSA-N 365.462 4.076 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)c(Cl)c1 20495084 HYKNTTQITFMGGX-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 20496114 LWWNXYIGQFLCMC-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)c1c(F)cccc1Cl 23238077 XXUHYGWDKHHPMT-UHFFFAOYSA-N 353.846 4.019 0 40 FIAB COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1csc(C)n1 28278338 ONVRBGKJHRFRRS-SUMWQHHRSA-N 374.506 4.348 0 40 FIAB CC[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 28409705 CDNVEMDTUFGKFR-AWEZNQCLSA-N 360.479 4.089 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 28937430 ZWFSMSMMWBSEBZ-UHFFFAOYSA-N 372.472 4.232 0 40 FIAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1 32101295 YEFITPBSXYHGIF-MRXNPFEDSA-N 364.380 4.169 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)/C=C/c1cccc(F)c1 32772976 CZFCFNQSRPCELZ-OUKQBFOZSA-N 352.453 4.488 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3ccc(C)c(C)c3)ccc21 35588084 SMPGVADZYYUJHU-UHFFFAOYSA-N 350.506 4.439 0 40 FIAB Fc1ccc(-c2n[nH]cc2CNCC2(c3ccccc3)CCOCC2)cc1 40091415 UGPRMLJMMBKEAF-UHFFFAOYSA-N 365.452 4.054 0 40 FIAB O=C(CCSc1ccccc1)NCC1CCN(Cc2ccsc2)CC1 43971829 OGHSLCLOZMOKSA-UHFFFAOYSA-N 374.575 4.259 0 40 FIAB Cc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n(C)n1 47232240 TZQVFQTVTRGXOE-UHFFFAOYSA-N 358.401 4.303 0 40 FIAB CCOc1ccc(Cl)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1 48342589 DRZWWBRFEIDOHQ-UHFFFAOYSA-N 359.788 4.316 0 40 FIAB Cc1cc(C(=O)CCC(=O)NC2CCN(c3ccccc3)CC2)c(C)s1 53263755 DXSZVWHPDGYXSE-UHFFFAOYSA-N 370.518 4.113 0 40 FIAB Cc1ccc(/C=C/C(=O)NC2CCN(CC3CCCC3)CC2)cc1Cl 65519618 NLZVRZMJFKEXQL-CMDGGOBGSA-N 360.929 4.432 0 40 FIAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccccn2)s1 71326575 PDLXPXNQTPQXQS-UHFFFAOYSA-N 352.463 4.083 0 40 FIAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4CCC4)C3)n2)c1 72349329 ZAIKAOYOMOQOPJ-GOSISDBHSA-N 350.462 4.263 0 40 FIAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N1CC[C@@H](c2ccccc2)C1 84525521 YYFYMSZPVVTMOB-WIYYLYMNSA-N 366.461 4.266 0 40 FIAB O=C(Nc1cccc2[nH]ccc12)N(CCCO)[C@@H]1CCCc2ccccc21 85580576 CEEDBLXGOQKKJQ-OAQYLSRUSA-N 363.461 4.462 0 40 FIAB CC(C)Oc1ccc(-c2nc(C(=O)NC[C@H]3CCO[C@H](C)C3)cs2)cc1 95457830 CGPWLFVAUIFPMA-CABCVRRESA-N 374.506 4.142 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@H](c2ccc(F)cc2)C1 102656406 ZXCVVLKODHJKBJ-MGPUTAFESA-N 360.392 4.482 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1C 103718969 PNLLHELBGDHRGG-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1ccc(C)c(-n2ncc(NC(=O)c3ccc(N(C)C)cc3F)c2C)c1 152418897 ZVKHAOPLDSPBDH-UHFFFAOYSA-N 366.440 4.255 0 40 FIAB Cc1ccc2[nH]c([C@H]3CCCN3C(=O)N[C@H]3CCCc4occc43)nc2c1 194664207 NEYGDQOGJNUQMS-MAUKXSAKSA-N 364.449 4.388 0 40 FIAB CN(c1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1)C1CCCCC1 199800791 OOSHLNITLDVDAY-UHFFFAOYSA-N 353.804 4.316 0 40 FIAB COC(=O)c1c(C)n(C(=O)COc2ccc(Cl)cc2)c2ccccc12 218740927 OAKLCVZUPRPAQY-UHFFFAOYSA-N 357.793 4.109 0 40 FIAB O=C(Nc1ccccc1F)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219241662 AVWNYWXMHSALCR-GOSISDBHSA-N 374.437 4.267 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN(C)c1ccccc1 219373976 RBQBJXBKMHBUNR-HXUWFJFHSA-N 354.494 4.104 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccc(OC)cc1 222964723 VFRQNOXCAYYCHQ-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CCCOCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCC 224711039 SUTCGRKITLXZGD-UHFFFAOYSA-N 370.449 4.223 0 40 FIAB CCc1ccc(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225179718 YYHOJSCROAEVBK-UHFFFAOYSA-N 354.475 4.388 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225838859 QWZIKCBEVULFDH-HXUWFJFHSA-N 365.470 4.184 0 40 FIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(C)c(C)c1 225852491 IOAMMCIMBGGOKU-LJQANCHMSA-N 361.507 4.358 0 40 FIAB CC(C)c1cc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)cs1 257318861 VPSFDVUPKLIKEQ-IBGZPJMESA-N 359.495 4.007 0 40 FIAB O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc(Cl)s1 390829961 HSUMNVZFWCSHDS-UHFFFAOYSA-N 353.852 4.140 0 40 FIAB Cc1ccc(-c2nnc(CN(C)C(=O)Cc3cccc4ccccc34)o2)cc1 408714965 ZOEJNJFJWIHEFL-UHFFFAOYSA-N 371.440 4.399 0 40 FIAB CC(C)COC1CCN([C@H](C(=O)O)c2ccc(Cl)c(Cl)c2)CC1 568059503 CFZOHGPHLGFXJA-INIZCTEOSA-N 360.281 4.256 0 40 FIAB c1cnc2c(c1)CN(C1CCOCC1)CCCCCOc1ccccc1O2 643561930 FFTBPQHUKXRPBH-UHFFFAOYSA-N 368.477 4.418 0 40 FIAB CN(C(=O)CCN1CCc2oc(-c3ccccc3)cc2C1)c1ccccc1 1171791279 FXDASSKJNZUQMI-UHFFFAOYSA-N 360.457 4.358 0 40 FIAB O=Cc1nc(Br)c(-c2cccc(OCc3ccccc3)c2)[nH]1 1857794623 DFKXUJGQNFLAPI-UHFFFAOYSA-N 357.207 4.231 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(C)s2)cc1 21623373 HIEIJAMBCJNFGX-QGZVFWFLSA-N 357.475 4.392 0 40 FIAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 1068690 VAVDUXIQBFEGGI-HXUWFJFHSA-N 360.461 4.195 0 40 FIAB CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCC)nn32)cc1 102681167 YBWUGBFDGQDFCK-KRWDZBQOSA-N 370.478 4.460 0 40 FIAB CN(C(=O)OCc1ccccc1)[C@H](CCN1CCCC1)c1ccccc1 2581001 XGVKYTVYIWTCCD-OAQYLSRUSA-N 352.478 4.482 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(OC)c(OC)c1 6790243 AAYMKLQYJGCRRV-UHFFFAOYSA-N 363.841 4.246 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2c(C)cccc2C)CC1=O 7929352 DNLHIDVAXJQLRZ-IBGZPJMESA-N 365.473 4.387 0 40 FIAB CCOc1ccccc1-n1c(SCCSC)nc2ccccc2c1=O 7973507 RTTQRJAQKWOPJU-UHFFFAOYSA-N 372.515 4.240 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 8478667 SVSYQLLVXCLZKS-KRWDZBQOSA-N 372.440 4.150 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1cccc(C)c1 8500044 GSRYZXGPJOKUBM-GOSISDBHSA-N 373.518 4.211 0 40 FIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 100664021 LKEHHQUMGGWURZ-ILHTXMRTSA-N 371.436 4.345 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1 717185 RRIGGDRHANRTKC-GOSISDBHSA-N 350.462 4.418 0 40 FIAB C[C@@H](O)CNc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 22705901 NVGBVQUXHOEYJZ-LLVKDONJSA-N 350.249 4.184 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1c[nH]c(=S)n1-c1ccccc1 12534434 KDZDGBLZZFJRSW-UHFFFAOYSA-N 352.444 4.397 0 40 FIAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccco3)C[C@H]21 100748688 PGCHGQULJAVVAW-IIBYNOLFSA-N 368.433 4.117 0 40 FIAB biogenic Cc1sc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C(N)=O)c1C 996026 LVUBTEPYBXJYCX-GQCTYLIASA-N 369.273 4.423 0 40 FIAB Oc1cccc2ccc[n+](C[C@H](O)Cn3c4ccccc4c4ccccc43)c12 903341 ZZNGLWQDMUIOAM-SFHVURJKSA-O 369.444 4.002 0 40 FIAB CN(C)Cc1ccccc1NC(=O)c1ccc(COCC(F)(F)F)cc1 24808933 IBCHQXTWEYBZCT-UHFFFAOYSA-N 366.383 4.079 0 40 FIAB COc1ccc(N(C(=O)c2cc3c(C)nn(C)c3s2)[C@@H](C)C2CC2)cc1 69372768 WHFOPKRWBIJRTC-ZDUSSCGKSA-N 369.490 4.397 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 25279481 QRTFIOODSMWSAP-GFCCVEGCSA-N 352.463 4.014 0 40 FIAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1504606 FWAVECIFLYNLER-UHFFFAOYSA-N 368.385 4.090 0 40 FIAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCCCCO 1778803 YFDCNNBYKLRLLL-UHFFFAOYSA-N 371.264 4.293 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1c[nH]c(=S)n1-c1ccccc1 21894961 FLINIVKZSZYECK-HNNXBMFYSA-N 351.475 4.286 0 40 FIAB Cc1cc(N[C@@H](c2ccc(F)cc2)C(C)C)n2nc(C(F)(F)F)nc2n1 26696916 VIYBGOUTCMQXOH-CQSZACIVSA-N 367.350 4.400 0 40 FIAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CCC)cc1OC 2091004 CTLBVKYRKDSTDP-FQEVSTJZSA-N 354.450 4.461 0 40 FIAB biogenic COc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1ccc(CO)o1 20138089 KFXZNQSNTWNSSR-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB O=C(NCc1cc[nH]n1)c1oc2ccccc2c1CSc1cccs1 58202536 UCKWGYFUZJHRAV-UHFFFAOYSA-N 369.471 4.440 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 2147250 XYHGRNKFOFRTEB-UHFFFAOYSA-N 361.397 4.163 0 40 FIAB biogenic O=C(Nc1ccc(N2CCCCCC2)cc1)c1cc(-c2cccnc2)on1 45032479 ATZHILWWTLVHEG-UHFFFAOYSA-N 362.433 4.369 0 40 FIAB COc1ccc2cc(CNC(=O)N3CCC[C@H]3c3cc(C)no3)ccc2c1 36397306 NQYQRJPDRTUGIF-IBGZPJMESA-N 365.433 4.192 0 40 FIAB Cc1cc(Br)ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 12755062 YJFVRRMPIQFVKP-HNNXBMFYSA-N 366.642 4.353 0 40 FIAB COc1ccc(-c2c(NC(=O)c3ccco3)n(C)c3ccccc3c2=O)cc1 2435128 GTKCLYOSMLXSSR-UHFFFAOYSA-N 374.396 4.059 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCc2ccccc21 12885058 ZJPCEHOOVWOSEC-PXAZEXFGSA-N 360.251 4.020 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1c2c(nc3ccccc13)CCC2 3429535 PNPBRVHVXWNZSL-UHFFFAOYSA-N 355.441 4.177 0 40 FIAB biogenic Cc1nc(S[C@H](C)c2nnc(-c3cccs3)o2)c(C(N)=O)c(C)c1C 12905956 PVUXDPDWUFVGRX-LLVKDONJSA-N 374.491 4.071 0 40 FIAB Cc1nc(-c2ccccc2)nc(SCCN2CCCCC2)c1[C@H](C)O 13627687 RYISELPWWYFGEK-INIZCTEOSA-N 357.523 4.083 0 40 FIAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1=COCCO1 4275415 SLGBJIMZWDBKPL-UHFFFAOYSA-N 364.426 4.304 0 40 FIAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc2ccccc2[nH]c1=O 69778425 ZXQJSQOTYAEVLI-GOSISDBHSA-N 367.836 4.158 0 40 FIAB CCN(c1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1)C(C)C 5200283 ONKGHEIRJBYWHY-UHFFFAOYSA-N 354.450 4.141 0 40 FIAB CCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc21 5207210 XVVMPMGNLJSGCO-UHFFFAOYSA-N 356.433 4.130 0 40 FIAB COc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)c(C)s2)cc1OC 14103153 BQHZIFVJBHLAFR-UHFFFAOYSA-N 372.446 4.032 0 40 FIAB O=C(O)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 4689742 NNOZRTOHSKZKDA-RIYZIHGNSA-N 359.790 4.279 0 40 FIAB CC(C)CNC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 5556464 NQCFJOIIKAJHGV-UHFFFAOYSA-N 355.825 4.443 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1 4746979 INHOVIKMTJKVCK-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816499 OZCDJXRYMOPDTN-PMACEKPBSA-N 360.461 4.310 0 40 FIAB Cc1cccc(OCCCC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 6978394 ZZRXNCGOXSIBLD-QHCPKHFHSA-N 360.457 4.455 0 40 FIAB CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(-c2ccccc2)cc1 5938642 IXTBUGVZQMRPHD-UHFFFAOYSA-N 374.440 4.121 0 40 FIAB COc1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 7115931 VWTOQZRRFWMYFK-FQEVSTJZSA-N 352.459 4.074 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC2(N(C)C)CCCCC2)c1 8830901 MJVMAUDRTHLCDV-GOSISDBHSA-N 360.542 4.266 0 40 FIAB C[C@@H]1Oc2ccc(NC(=O)c3cc(C4CC4)nc4ccccc34)cc2NC1=O 8015835 GAAMFVUOVWPJEK-LBPRGKRZSA-N 373.412 4.084 0 40 FIAB Cc1cccc(NC(=O)[C@@]2(C)CCCCN2C(=O)c2ccccc2)c1C 96006670 HUINIVHGJBHRBR-JOCHJYFZSA-N 350.462 4.327 0 40 FIAB O=C(NCc1nc(-c2ccc(F)cc2)c[nH]1)Nc1cccc2cccnc12 72311235 OHVXQFUONNEAJU-UHFFFAOYSA-N 361.380 4.086 0 40 FIAB Cc1csc(CNc2nc(CN3CCCC3)nc3sc(C)c(C)c23)n1 9447407 OQDVHSCYRWXLNC-UHFFFAOYSA-N 373.551 4.281 0 40 FIAB O=C(Nc1cccc(N2CCCC2=O)c1)c1csc(-c2cccs2)n1 9417851 QLOLFRMOLLHBKJ-UHFFFAOYSA-N 369.471 4.251 0 40 FIAB O=C(Cc1cccc(F)c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 84564786 PPHORIIGZZDTIT-GOSISDBHSA-N 365.408 4.172 0 40 FIAB Brc1ccc(CNCCC2CCN(c3ccncc3)CC2)cc1 95462167 FSMSYSJSFYBQEB-UHFFFAOYSA-N 374.326 4.240 0 40 FIAB COCc1cccc(OCC2(CN(C)Cc3csc(C)n3)CCC2)c1 95448105 GQKFTOYQCFFFPK-UHFFFAOYSA-N 360.523 4.279 0 40 FIAB CC[C@H](C)CN(C)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 95958313 MPQBCYCXMNCJDQ-KRWDZBQOSA-N 364.493 4.272 0 40 FIAB Cc1cccc(C(=O)N[C@@H]2CCCSC2)c1NC(=O)c1ccccc1F 95963616 WNOLHSVFACAWFZ-CQSZACIVSA-N 372.465 4.012 0 40 FIAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2nc3ccccc3s2)cc1 32932801 UDJDCWNKQUBJIG-ZDUSSCGKSA-N 371.531 4.477 0 40 FIAB COCCOc1ccc(-c2noc(C3(C)CCC(F)(F)CC3)n2)cc1F 528143884 XKQJESLRLNNUKV-UHFFFAOYSA-N 370.371 4.368 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)CCc2cccc3ccccc23)cc1 222672301 FRUAKXBQVGGYSW-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB O=C(O)c1cnc(Cc2ccc(Cl)cc2)nc1NCc1ccccc1 49469849 QOFHSRUOJIRKNV-UHFFFAOYSA-N 353.809 4.031 0 40 FIAB COc1ccccc1C[C@@H]1CCCN1Cc1ccc2oc(C(=O)O)cc2c1 567242275 YVDMQPRCTPQKHO-SFHVURJKSA-N 365.429 4.347 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCSc2ccccc2)c(C)c1 225285062 QRMHTDLASPWLJA-UHFFFAOYSA-N 374.531 4.250 0 40 FIAB C[C@H](COc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1F 225770337 UZGJSZJCRFLNCU-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB O=C(NCC[C@@H](O)c1cccc2ccccc12)c1ccc(Br)o1 77117018 PIEZEKSUHJMYFO-OAHLLOKOSA-N 374.234 4.049 0 40 FIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(CC)c3C)N21 222692782 GHDUIXSWOLRFRV-KFKAGJAMSA-N 354.523 4.499 0 40 FIAB Cc1cnn(-c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3C)cc2)c1 44313250 XTIWPWHTVZXTLA-UHFFFAOYSA-N 360.461 4.342 0 40 FIAB COc1ccccc1OCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 223448361 ZMAOKRHGSNORGD-DYTRJAOYSA-N 373.452 4.431 0 40 FIAB CCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1Cl 225543753 RIMHKRFJXXOXJT-UHFFFAOYSA-N 373.880 4.217 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccccc2)ccc1Cl 222864572 QIELYRMGALFAFQ-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB CCO[C@](C)(C(=O)Nc1ccc(OCCN2CCCCCC2)cc1)C1CC1 225723758 JQDGUIXZZFHVJS-QFIPXVFZSA-N 374.525 4.085 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NC[C@H](CC)Cc2ccccc2)c1 225632392 VXRCVKFZUOSFOZ-MRXNPFEDSA-N 370.518 4.419 0 40 FIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1C 223938146 YBQNQIISTFZOBF-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 98086516 ZBFPKZKBVUGKFX-YVLHZVERSA-N 370.405 4.021 0 40 FIAB C[C@H]1CCCN1C(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96266989 PEAUNNUNUMXCQO-KRWDZBQOSA-N 370.456 4.417 0 40 FIAB COc1ccc(-c2n[nH]c(SCc3cccc(F)c3F)n2)c(OC)c1 66006033 TULJUVIFCXVPCX-UHFFFAOYSA-N 363.389 4.059 0 40 FIAB COc1ccc(C2=CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 77234912 OSETYTCTPVEIQS-UHFFFAOYSA-N 362.429 4.115 0 40 FIAB C[C@@H](Sc1nc2ccccc2o1)C(=O)NC12CC3CC(CC(C3)C1)C2 5628795 QYJOFQGYLKLQCZ-JSFDKUKPSA-N 356.491 4.393 0 40 FIAB Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n[nH]1 12845307 LIHSSUMCLUVOFT-ZEERGYAVSA-N 370.522 4.071 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc(C)ccc2OC)cc1 15600623 BREWYXIXXXDCKF-SQSZOCELSA-N 351.446 4.389 0 40 FIAB COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 18891809 APKXJLUJCYMEFJ-CQSZACIVSA-N 363.413 4.111 0 40 FIAB CCCC(=O)N1CCC2(CC1)C[C@@H](N(C)CC)C[C@@H](c1ccccc1)O2 19712727 CNCWILHEJDXOLZ-PMACEKPBSA-N 358.526 4.020 0 40 FIAB O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc(Br)cc1 29177282 VCEOGZQIRARWHO-GOSISDBHSA-N 373.294 4.016 0 40 FIAB Cc1nc2c(ccc3nc(NC(=O)COc4ccccc4)sc32)s1 2475032 NQCRFYHPSRUOKJ-UHFFFAOYSA-N 355.444 4.232 0 40 FIAB C[C@](O)(CNC(=O)CSCc1ccccc1)c1cc2ccccc2s1 217503250 ALPCLLDGGIEAOW-FQEVSTJZSA-N 371.527 4.158 0 40 FIAB CCCCc1nnc(NC(=O)CCCc2ncc(-c3ccccc3)o2)s1 31684349 NOESLLMAVFEESV-UHFFFAOYSA-N 370.478 4.497 0 40 FIAB COCc1c(C(=O)Nc2cccc(Cn3cccn3)c2)oc2ccccc12 32468062 OZAFYXMFJYPUAS-UHFFFAOYSA-N 361.401 4.076 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(F)c2)C[C@H](c2ccccc2)C1 102595522 WYBVYEXCCWRPDB-YWZLYKJASA-N 360.392 4.482 0 40 FIAB CCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1=C(O)CCCC1=N2 102674496 SEEWMCKXXPHEDX-INIZCTEOSA-N 356.451 4.070 0 40 FIAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(F)cc2)cc1 980830 RSKOBVHKLVMOAR-UHFFFAOYSA-N 366.392 4.004 0 40 FIAB CC(C)C[C@H](NC(=O)CSc1ncc2ccccn12)c1ccccc1 22099732 KTWZDCJKIRWVSF-SFHVURJKSA-N 353.491 4.330 0 40 FIAB CC(C)Oc1ccccc1NC(=O)CSc1nc2ccc(N)cc2s1 6364801 VTEUUHXYIDXRGM-UHFFFAOYSA-N 373.503 4.397 0 40 FIAB O=C(COCc1cc(-c2cccs2)on1)Nc1ccc(F)c(Cl)c1 6876503 QKKCJTYQOOXBHK-UHFFFAOYSA-N 366.801 4.351 0 40 FIAB Cc1ccccc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccccc1 8476543 YPJOZBGGHXARQJ-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 22960175 SURKCDHDBHHFBQ-IBGZPJMESA-N 366.461 4.354 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1 24843189 NNXDADFLADHXDG-UHFFFAOYSA-N 372.222 4.141 0 40 FIAB Cc1ccc(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 1406132 KXPWAABEZDLUNX-UHFFFAOYSA-N 359.926 4.476 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nccn2-c2ccccc2)cc1 26128016 LDHDZHDVPSIQSO-CQSZACIVSA-N 365.458 4.194 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1CCCC[C@@H]1C(F)(F)F 57142945 XJSDCZATCBJUDR-KBPBESRZSA-N 352.356 4.327 0 40 FIAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 72333800 AYLQBPVHKLTPAE-INIZCTEOSA-N 353.462 4.327 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1nc2ccccc2s1 10204909 HFAJXIMARFQASK-UHFFFAOYSA-N 363.446 4.146 0 40 FIAB C[C@H](CCc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccccc12 59967472 SNVMRKOJSFXFLG-GFCCVEGCSA-N 372.266 4.077 0 40 FIAB CN(C)c1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1Cl 48207192 HRABEQSSCHLHKJ-UHFFFAOYSA-N 370.840 4.027 0 40 FIAB Clc1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 2206187 AAXJMUFDZSTZSG-CQSZACIVSA-N 370.821 4.019 0 40 FIAB O[C@@H](CNCc1ccccc1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296788 GINHOOKSTSSBFI-KRWDZBQOSA-N 368.908 4.324 0 40 FIAB CCOc1ccc([C@H]2C[C@H](c3ccc(OCC)cc3)n3ncnc3N2)cc1 2336110 HYYQHWHMDZOLQM-WOJBJXKFSA-N 364.449 4.222 0 40 FIAB COc1ccc(NCCC(=O)NCCSc2ccc(Cl)cc2)cc1 48341869 NXEIRAYBJGFROW-UHFFFAOYSA-N 364.898 4.059 0 40 FIAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12810727 ZPDGHKVMBRQKKH-SNVBAGLBSA-N 372.774 4.290 0 40 FIAB CN(CC(=O)Nc1cc(F)ccc1F)Cc1ccc(C(F)(F)F)cc1 3455596 SBYBRLODJWPJJS-UHFFFAOYSA-N 358.310 4.054 0 40 FIAB COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1Br 12996440 RVUMCXGRKFXMTE-INIZCTEOSA-N 360.251 4.217 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)s1 8755064 WQEGFPFLFTZLQE-UHFFFAOYSA-N 352.463 4.294 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 8780285 NWKSXWAZRGGRLF-MRXNPFEDSA-N 350.393 4.221 0 40 FIAB Cc1cccc(C)c1Oc1ccccc1NC(=O)CN1CCCCCC1=O 64311659 QMVYZDOLZPIBCO-UHFFFAOYSA-N 366.461 4.437 0 40 FIAB COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(C)=O 4175616 YBOCRCFRVXFIQD-QGZVFWFLSA-N 373.250 4.155 0 40 FIAB Cc1cc(C(=O)Nc2cccc(-c3nccn3C)c2)c2ccc(F)cc2n1 65152470 PBXPSFXUTXMMFR-UHFFFAOYSA-N 360.392 4.335 0 40 FIAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)c1cc(C(C)=O)c[nH]1 14110297 DVMUTKVPYPXUJI-UHFFFAOYSA-N 372.465 4.067 0 40 FIAB COc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2C)cc1 4678508 NMWSJHZEHVZOLA-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1F 20490947 ZIPYKEPTNFHDMQ-SFHVURJKSA-N 365.445 4.172 0 40 FIAB Cc1nc(-c2cccs2)c(CC(=O)NCCCc2ccccc2)s1 15840124 SXKIBUDOBJOHBX-UHFFFAOYSA-N 356.516 4.472 0 40 FIAB O=C1c2ccccc2C(=O)N1Cc1cc(Cl)cc2c3c([nH]c12)CCCC3 7636348 AVMAPSKDEGTBKC-UHFFFAOYSA-N 364.832 4.496 0 40 FIAB COc1ccc([C@H](NCc2cn3c(C)cc(C)nc3n2)c2ccccc2)cc1 7985196 XHQSOLGFOPZQED-JOCHJYFZSA-N 372.472 4.234 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)sc2ccccc12 8071495 CGHGTUKPCICDAQ-MRXNPFEDSA-N 354.475 4.370 0 40 FIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F 16751972 JCOOIWSVXHEWBR-GOSISDBHSA-N 351.377 4.277 0 40 FIAB C[C@H]1C[C@@H](Sc2nc(C3CCCCC3)n(-c3ccccc3)n2)C(=O)O1 8271446 ASUVOWMTWCNDPO-XJKSGUPXSA-N 357.479 4.111 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9791482 ZQHZXCOTAHKBLY-JLTOFOAXSA-N 372.440 4.354 0 40 FIAB Cc1cn(CC(=O)NC2(c3noc(C(C)C)n3)CCCC2)c2ccccc12 89702068 WDWXCZWBUOFBNZ-UHFFFAOYSA-N 366.465 4.042 0 40 FIAB O=C(CCCn1ccnc1)N1CCc2ccccc2[C@H]1Cc1ccccc1 89830383 HOXCUSDIGXOKMK-JOCHJYFZSA-N 359.473 4.032 0 40 FIAB COc1c(Cl)cc(Cl)cc1CNCCc1nc2ccccc2[nH]1 75582650 SEJCTCRAOKTBGY-UHFFFAOYSA-N 350.249 4.211 0 40 FIAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1 21821513 LUDGKGFLNUMPIX-UHFFFAOYSA-N 365.376 4.337 0 40 FIAB COc1ccc(CC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20137315 ACQYAFZHBVJVES-UHFFFAOYSA-N 371.820 4.282 0 40 FIAB Cc1cc(NC(=O)c2ccnn2C2CCCC2)cnc1N1CCCC[C@H]1C 504841229 BYLYBEHOWGVXHL-MRXNPFEDSA-N 367.497 4.333 0 40 FIAB O=C(NCC1CC1)Nc1cc2c(cc1Sc1ccccc1)OCCO2 513905861 QBRWBFVYQHOEBD-UHFFFAOYSA-N 356.447 4.141 0 40 FIAB O=C(CCCc1cccs1)NCc1cccc(OCc2ccccn2)c1 36396304 RDGNHAMVYBXTGI-UHFFFAOYSA-N 366.486 4.361 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C=O)cn1 72215174 WKRDSQUDQOVTFE-RDJZCZTQSA-N 361.486 4.305 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)COc1ccccc1C 219323991 VVNGPPUKMPWUJW-CRAIPNDOSA-N 361.869 4.390 0 40 FIAB Cc1noc(C)c1C[C@H](C)NC(=O)NCC(C)(C)c1cccc(Cl)c1 78848199 SMPVWNFFGVBRBM-LBPRGKRZSA-N 363.889 4.153 0 40 FIAB COc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccccc2)cc1 36246304 XJFOLTTVVGZKLZ-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB Cc1ccc(CSCCNC(=O)COc2ccc(Cl)c(C)c2)cc1 218936199 IHPONJKNBLBPQM-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCc1ccc(CN(C)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 36874493 DVFRAPOOZLMYGZ-JOCHJYFZSA-N 362.473 4.172 0 40 FIAB CC[C@@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(OC)c(OC)c1 218985424 ZRNXNVDUUFIURO-GOSISDBHSA-N 357.450 4.372 0 40 FIAB c1ccc(-c2noc([C@@H]3CCN(Cc4ccnc5ccccc45)C3)n2)cc1 72369833 FONCFMVCKPGQPT-GOSISDBHSA-N 356.429 4.274 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 219535691 CTTRFVHPGODFFJ-AEFFLSMTSA-N 371.477 4.355 0 40 FIAB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(Cl)cc1 35043326 DWZMPSLAOPMKHA-NTEUORMPSA-N 358.806 4.121 0 40 FIAB Cc1ccc(C)c(OC(=O)CCc2nc(Cc3ccccc3)no2)c1C 40128707 DGPCOQQJPHYIKM-UHFFFAOYSA-N 350.418 4.124 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC(C)C 222751168 KUZNJOBUVNIJNM-INIZCTEOSA-N 373.324 4.425 0 40 FIAB O=C(c1cc(F)cc(Cl)c1)c1ccccc1I 43210052 MNJOGKXQHTUQJC-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COCC(C)C)c2)c1 224450867 ZLKDMYQUALHBOG-UHFFFAOYSA-N 373.449 4.137 0 40 FIAB COc1ccc(CNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)cc1 222541148 PLJAVAAKYFFZPT-UHFFFAOYSA-N 357.841 4.209 0 40 FIAB FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)OC(c2cccnc2)=N1 49545557 WTIYKHAFCZWKAE-UHFFFAOYSA-N 373.256 4.126 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1cc3cc(F)ccc3[nH]1)O[C@H](C)C2 40059503 ISHLELRCQAHPGP-LLVKDONJSA-N 354.381 4.281 0 40 FIAB CC(C)OCc1cccc(CNC(=O)CCc2nc3ccccc3s2)c1 40122277 BWNONVJKKUIWKT-UHFFFAOYSA-N 368.502 4.470 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)no2)cc1OC 46086801 AEOCBMJEEQROKP-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB Cc1[nH]nc2ncc(CN(C)[C@@H](C)Cc3ccccc3C(F)(F)F)cc12 575164169 XMPJRMTWCQKMTB-LBPRGKRZSA-N 362.399 4.348 0 40 FIAB Nc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1Br 40296588 HXSWYPJDUMPOQP-UHFFFAOYSA-N 359.145 4.302 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225619152 IQCUPFJGFGEYCC-NRFANRHFSA-N 362.514 4.085 0 40 FIAB C[C@@H](C(=O)N1CCC[C@H](c2ccccc2)CC1)n1ccc(C(F)(F)F)n1 1584586178 SSNDGJJHWVQWPT-HOCLYGCPSA-N 365.399 4.259 0 40 FIAB COc1ccc([C@@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1OC 222549241 NPMTYLWAHHIOCD-AWEZNQCLSA-N 366.248 4.234 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N(C)C)c2ccccc23)o1 96052703 YQJLTXKAGTTXFV-SFHVURJKSA-N 366.505 4.087 0 40 FIAB COc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 96057053 IUKBSJKDVDQOSG-DHIUTWEWSA-N 373.537 4.273 0 40 FIAB COc1cccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2Cc2cnc(C(C)C)nc2)c1 248157492 DTSVJXKHWICMDF-WFXMLNOXSA-N 367.493 4.041 0 40 FIAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)ccc1N1CCCC1 257241217 HXELORRGRUOPAB-KKLOIMHHSA-N 371.521 4.170 0 40 FIAB O=C(C[C@@H]1CCc2ccccc21)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 672205126 VOGMLESWUBPBQX-MLDBQTBOSA-N 361.485 4.138 0 40 FIAB Cn1cc(NC(=O)c2ccc(-c3ccco3)s2)c(-c2ccccn2)n1 675842108 VSYWKVAIHLHYMC-UHFFFAOYSA-N 350.403 4.056 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2ccco2)cc1 1775966670 SVSNCVOMBIRZCR-QFIPXVFZSA-N 371.436 4.492 0 40 FIAB Cc1cc(Nc2ncccn2)cc(C2CCN(C[C@H]3CC=CCC3)CC2)n1 585176603 QHKZROBZWHRQAU-SFHVURJKSA-N 363.509 4.459 0 40 FIAB CN1CCC[C@H](NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 58163596 DUYYCHVSCIUKRF-PMACEKPBSA-N 371.912 4.017 0 40 FIAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 79069409 DROXZUWREZZQSB-INIZCTEOSA-N 369.465 4.114 0 40 FIAB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1c(Cl)cccc1Cl 822613 XKDZYAKPHNXXNW-QPEQYQDCSA-N 362.168 4.067 0 40 FIAB O=C1NC(c2ccc(Br)cc2)=N/C1=C\c1cccc(Cl)c1 3184413 MKGVWVWCHHTMSF-ZROIWOOFSA-N 361.626 4.020 0 40 FIAB Cc1ccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn23)cc1 5163859 GIIJCMDKCBIDPO-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CCOc1ccc(NC(=O)Cc2coc3cc(OC)ccc23)cc1OCC 5617535 GZIHZMBKWVUKKG-UHFFFAOYSA-N 369.417 4.420 0 40 FIAB COc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F 5938536 IUJVGZVVXRSNIL-YCGNWBHESA-N 365.351 4.326 0 40 FIAB CCN(c1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1)C(C)C 12554012 IEPHCCCISPBLPI-UHFFFAOYSA-N 353.466 4.329 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 12902086 XNZJDNXXPPVQEU-SJLPKXTDSA-N 358.507 4.104 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1 14257654 FDHHIGYSFAPHAB-UHFFFAOYSA-N 355.488 4.348 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1 14291416 XRRMHZUXDKQGPF-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB O=Cc1cc(Cl)ccc1OCc1ccc(I)cc1 15423235 NGLISKAIYZEZTR-UHFFFAOYSA-N 372.589 4.336 0 40 FIAB c1ccc2nc(CN3CCC(c4nnc(-c5ccncc5)o4)CC3)ccc2c1 19376322 IIWIGLNCIBOSCD-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB Cc1cc(C)n([C@H](C(=O)NCc2cccc(N3CCCCC3)c2)C(C)C)n1 19659555 KELGFGCBMHLZEV-NRFANRHFSA-N 368.525 4.004 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)c1 226312053 DPXVUIDORLWRCN-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB CCCCN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 3175122 VVRFSMXDQFKFJG-DTQAZKPQSA-N 354.837 4.258 0 40 FIAB CC(C)c1nc2ccccc2n1C1CN(C(=O)CCc2ccccc2F)C1 1888959358 USDPLHCIBUBARI-UHFFFAOYSA-N 365.452 4.315 0 40 FIAB S=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1cccs1 4088185 WFAWLWIFCRZRBX-IBGZPJMESA-N 367.543 4.072 0 40 FIAB Cc1cccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)c1 4359564 NKXWSQXXWKMIKP-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB Cc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2N2CCOCC2)cc1 7572744 RLHZGDFXAVPKEE-DQRAZIAOSA-N 365.502 4.034 0 40 FIAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1 7616014 HTPWJHBDKYGRFR-UHFFFAOYSA-N 369.424 4.011 0 40 FIAB O=C(c1ccc2nsnc2c1)N1CCS[C@@H](c2ccccc2F)CC1 219112580 FXSIEJXKGOCMMQ-QGZVFWFLSA-N 373.478 4.151 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCCNCCOC(=O)Nc1ccccc1)C2 100712499 LBEOWKDSFZCIPA-CDXJDZJCSA-N 360.498 4.056 0 40 FIAB Clc1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc1 20393683 OPGWQFIGUMSAPK-HNNXBMFYSA-N 364.836 4.479 0 40 FIAB Cc1cc(N2CCOCC2)nc(SCc2ccc(Cl)cc2Cl)n1 1398317 AGCSFEMNYLPWSY-UHFFFAOYSA-N 370.305 4.221 0 40 FIAB CCCCn1cc([C@@H]2CC(=O)N(c3ccccc3O)C2=O)c2ccccc21 2130773 CCZOCIXYUSOJDT-INIZCTEOSA-N 362.429 4.194 0 40 FIAB COC(=O)c1cc(-c2ccccc2)n(Cc2cccc(OC)c2OC)c1C 2290107 BUSBJLBSEXAYMJ-UHFFFAOYSA-N 365.429 4.316 0 40 FIAB Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(Cl)c1 2630251 NKLNAWRVYPTZGI-UHFFFAOYSA-N 365.260 4.451 0 40 FIAB Cc1cc(C)cc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 2713252 SCSVHQDWAGVSRM-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB CCC(C)(C)NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C1CC1 2778874 CHHZRRIGUPSMAN-QMMMGPOBSA-N 351.800 4.299 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1c(Cl)cccc1Cl 3282874 RCHRASNZAMQJHJ-LLVKDONJSA-N 364.228 4.128 0 40 FIAB CCCCOc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)cc1 4696531 BTVCMDJYNATGDM-JXAWBTAJSA-N 351.402 4.219 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1cccn(Cc2ccccc2)c1=O 4940260 VXAXFPSDPWSDCL-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1 5256030 CIQRVUIBUQWEIK-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB CN(C(=O)CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1 6112133 RXVUTLCTYPJHEJ-UHFFFAOYSA-N 369.515 4.325 0 40 FIAB CCOC(=O)CSCC(=O)Nc1ccccc1Sc1ccccc1 6509278 XDRLETURSHQZNN-UHFFFAOYSA-N 361.488 4.073 0 40 FIAB Cc1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 6546254 XFTBEPRWWIVYBI-UHFFFAOYSA-N 373.408 4.415 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(F)c2)c(C)c1 6629953 JLIDEIBEWDMEFB-UHFFFAOYSA-N 359.470 4.107 0 40 FIAB O=C(c1cc2c(s1)CCCC2)N1CCN(c2ccccc2Cl)CC1 6923242 QEPYGLVXSYRNHU-UHFFFAOYSA-N 360.910 4.243 0 40 FIAB C[C@H](NC(=O)CSc1nc2ccccc2n1C)c1cc2ccccc2o1 7154089 GVTFYQGTKUPTJC-ZDUSSCGKSA-N 365.458 4.289 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1ccc(CN2CCCCC2)cc1 7448283 FHSUSAKCPMCXLK-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB CSc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 8049572 KUNYHMKIVMAOQA-IBGZPJMESA-N 352.459 4.311 0 40 FIAB CCOc1c(Cl)cc(Cl)cc1CNCc1ccc(C(=O)O)cc1 8253433 WLXDSFZLVRRZEJ-UHFFFAOYSA-N 354.233 4.380 0 40 FIAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cc2ccccc2o1 8278197 VBFDUFGEGHTGGT-UHFFFAOYSA-N 357.793 4.178 0 40 FIAB Cn1c(SCc2ccc(Cl)cc2)nnc1[C@H]1COc2ccccc2O1 8427984 VNNMTQLBDWOOIT-MRXNPFEDSA-N 373.865 4.273 0 40 FIAB C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(-n2ccnc2)cc1 8725294 XQCCRUHTUJAITI-KRWDZBQOSA-N 355.441 4.445 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)c1cnn(-c2ccccc2)n1 9950081 HAGYTRJBLJMBCY-UHFFFAOYSA-N 356.385 4.312 0 40 FIAB CN(Cc1nc2ccccc2n1Cc1ccc(F)cc1)C(=O)c1ccco1 11667119 FUJVBZPPDBIQLO-UHFFFAOYSA-N 363.392 4.089 0 40 FIAB Cc1cc(C(F)F)nn1CC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 12162277 GTGIEPOLBKQNOI-JSJNYSNDSA-N 373.447 4.218 0 40 FIAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cnn(C)c3)on2)cc1 12228036 VTZHLPNVSLZTKL-FQEVSTJZSA-N 366.465 4.201 0 40 FIAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 12535982 BWJJDVVAFMMMGO-INIZCTEOSA-N 374.506 4.023 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1 12568025 WYHUCTTYCUGXQU-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1cccc2ccccc12 12599503 MUMUQAPGTGGRKE-UHFFFAOYSA-N 371.440 4.195 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 12619912 ROCLKXWIQONNMO-UHFFFAOYSA-N 355.800 4.406 0 40 FIAB C/C=C/c1ccc(OCC(=O)NC2(c3ccccc3)CCC2)c(OC)c1 12784594 AKRJYXKJXRZGSP-FPYGCLRLSA-N 351.446 4.303 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 12796941 ZENHGPMZFMAJIY-GFCCVEGCSA-N 368.355 4.423 0 40 FIAB COc1cccc(CCC(=O)Nc2nc(-c3ccccc3)cs2)c1OC 12808950 FEZHUXKNIQUJET-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB CCOc1cccc2cc(-c3nc(-c4ccc(F)cc4)no3)c(=O)oc12 12879931 AXMJYKNHLAEBGY-UHFFFAOYSA-N 352.321 4.048 0 40 FIAB CN(C)[C@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1Cl 13011172 MNOFCYYAOLHEOI-MRXNPFEDSA-N 355.240 4.165 0 40 FIAB CONC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 14182450 RMGWDAYVJVWRCR-UHFFFAOYSA-N 370.261 4.053 0 40 FIAB COc1ccc(CCC2CCN(C(=O)c3cc(F)cc(F)c3)CC2)cc1 14244833 SNLRWTACUFHYQV-UHFFFAOYSA-N 359.416 4.458 0 40 FIAB O=C1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)c2cn[nH]c2N1 15083330 MDEWARWDVLDPJR-OAHLLOKOSA-N 353.809 4.116 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 18204474 LXCKEMLQCWJGNJ-CHWSQXEVSA-N 363.841 4.002 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CC[C@@]4(C)[C@@H]3CCCCCN4C)no2)cc1 19713343 OQIOIPPUHNVULY-UNMCSNQZSA-N 367.493 4.129 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 19934586 MVLFZTSGAGEDKT-OXQOHEQNSA-N 371.477 4.053 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 20104443 PYQYIXXTFSSMRJ-HNNXBMFYSA-N 374.440 4.076 0 40 FIAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 24833826 ZMHRPMVERJECRI-QGZVFWFLSA-N 364.470 4.392 0 40 FIAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CN2CCCC2=O)c1 25055228 NMJOYIFRBDIFRU-UHFFFAOYSA-N 358.825 4.002 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c(C)c1 25095740 GBHWKMDPGQNYMA-UHFFFAOYSA-N 369.808 4.077 0 40 FIAB CC(C)(CNC(=O)c1ccc(F)cc1Cl)N1CCc2ccccc2C1 25461465 ZXPWPVLVBBQVLQ-UHFFFAOYSA-N 360.860 4.046 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc(Cl)cc1 32796227 YPVOVPSSKKKESS-QGZVFWFLSA-N 357.837 4.365 0 40 FIAB Cc1cccc(NC(=O)c2sc3ncn(C4CCCC4)c(=O)c3c2C)c1 35672943 HITZEBGSGXVYKA-UHFFFAOYSA-N 367.474 4.442 0 40 FIAB CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)cc1 36616399 DRSDXZXLTVTDTQ-UHFFFAOYSA-N 356.429 4.450 0 40 FIAB CCCOc1ccc2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)ccc2c1 41095251 WWDMODXOAHOASI-MGPUTAFESA-N 361.507 4.486 0 40 FIAB C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NCCc1ccccn1 48318172 ZTUQBTWWPVDDEB-NSHDSACASA-N 355.290 4.228 0 40 FIAB COc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)cc1OC 48781194 GBHFBJGAQXFOFY-UHFFFAOYSA-N 368.477 4.122 0 40 FIAB COc1cc([C@@H]2SCC(O)=Nc3c2cnn3C)ccc1OC1CCCC1 49544720 GIZUILCKSFMMSP-SFHVURJKSA-N 373.478 4.174 0 40 FIAB CNC(=O)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1C 55854916 SMDGDDZTFVOIQN-UHFFFAOYSA-N 355.825 4.275 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1OC)C3 57996621 AVFCIJAVXOTQIB-UHFFFAOYSA-N 365.429 4.106 0 40 FIAB biogenic O=C(NC[C@H](O)c1cccc2ccccc12)c1ccccc1Br 70636051 IOAAPGCEUVLQTQ-SFHVURJKSA-N 370.246 4.066 0 40 FIAB Clc1ccc([C@H]2CN(Cc3cccc(-n4cccn4)c3)CCO2)cc1 71419586 PGHCKGOGLKUHRV-HXUWFJFHSA-N 353.853 4.099 0 40 FIAB CCN(C(=O)Nc1ccccc1OC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 72314426 GCNFOUSLLJUFNE-HKUYNNGSSA-N 367.493 4.385 0 40 FIAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cccs1 72396941 PURNKTZFSHXTBW-MRXNPFEDSA-N 371.893 4.454 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 80332691 ICWMCNOEYYKCHE-MGPUTAFESA-N 374.481 4.025 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1c(C)nn(C)c1C 95478750 ODBSJRJCRIONHO-UHFFFAOYSA-N 374.897 4.052 0 40 FIAB CC(C)c1nc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cs1 95941326 CJIYCOOQMRYILD-STQMWFEESA-N 365.930 4.275 0 40 FIAB O=C(CCc1ccccc1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2 96214659 SOZLYFKSVLWZOH-XMMPIXPASA-N 362.517 4.276 0 40 FIAB Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211266 PHPCAKJLYSTPRW-UHFFFAOYSA-N 358.401 4.152 0 40 FIAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)[C@]12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 100755121 IJUBJARZEOLNML-MGRCVYSDSA-N 365.945 4.372 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219562072 JKAIERPOUIWGMR-IRXDYDNUSA-N 369.461 4.271 0 40 FIAB COc1ccc(C(=O)NCCSCc2ccccc2F)cc1Cl 225272491 CNBQRBMXYURDMH-UHFFFAOYSA-N 353.846 4.151 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3)n2)c1 225312109 RHKLVHPBVCGHRQ-UHFFFAOYSA-N 369.852 4.290 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225533718 CJMJIYXRCDIPHW-VQIMIIECSA-N 371.477 4.355 0 40 FIAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)C(C)C 225760970 IPWCYKJNKWDIMU-IBGZPJMESA-N 356.491 4.450 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(C3CC3)CCCC2)c1 225862058 NBXKMLKXPIQSOW-UHFFFAOYSA-N 352.887 4.136 0 40 FIAB O=C1O[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 257302929 SFAUWECOZFTUOC-JOCHJYFZSA-N 368.452 4.203 0 40 FIAB CCCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408713923 CRQVGACSAMBUCM-UHFFFAOYSA-N 365.433 4.188 0 40 FIAB CC[C@@H]1CCc2nc(NC(=O)c3coc(Br)c3)sc2C1 503005527 ZWVIEACBJDPKPT-MRVPVSSYSA-N 355.257 4.266 0 40 FIAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N2CC[C@@]3(CCCOC3)C2)cc1 671199217 IMRIWWFGFUQFTP-GCJKJVERSA-N 374.525 4.007 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](COc2ccncc2)C1 1775970506 FDYQBEXNHOPPBL-CQSZACIVSA-N 364.367 4.032 0 40 FIAB O=C(CCc1ccccc1F)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977892 LJGVRZWUEPWVGM-LJQANCHMSA-N 369.461 4.337 0 40 FIAB COc1ccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1F 1775978389 RDZJIVOOZPWWDE-KRWDZBQOSA-N 371.433 4.026 0 40 FIAB Clc1cnccc1OCC1CCN(c2cc(C3CCC3)ncn2)CC1 1889109304 HWHGCUBXKOVREV-UHFFFAOYSA-N 358.873 4.088 0 40 FIAB c1cc(-c2cnc3nc(C4CCN(Cc5cocn5)CC4)ccc3c2)ccn1 2086896718 TVNWTDMREIYPMG-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB CC(C)(C)NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 826996 HLGPWCZFKINDPI-UHFFFAOYSA-N 368.384 4.005 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1 860526 IIJPEKIOKZREMW-INIZCTEOSA-N 353.896 4.085 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)OC1CCCCC1)OCCO3 928304 MNUZNZOQGCZDMU-UHFFFAOYSA-N 373.474 4.282 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)o1 1224437 IHZWWTQQCDCBBJ-ZDUSSCGKSA-N 369.446 4.178 0 40 FIAB Cc1ccc2c(SCC(=O)NC3CC3)nc(-c3ccc(F)cc3)nc2c1 1367697 YXPVZHLNSFULTG-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB O=C(CSc1cc(Cl)ccc1Cl)NCc1ccc2c(c1)OCO2 2623895 VHXWEHNFDJQFSF-UHFFFAOYSA-N 370.257 4.131 0 40 FIAB CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)Nc1ccccc1-2 2736617 WPLJSLYCTLWPFB-MRXNPFEDSA-N 354.410 4.293 0 40 FIAB O=C(CSc1ccc2ccccc2c1)Nc1ccc2c(c1)OCCO2 3236191 FPJSCTDRXZJANA-UHFFFAOYSA-N 351.427 4.342 0 40 FIAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 3326323 XUXDMKKOMXBTRF-OAQYLSRUSA-N 364.832 4.460 0 40 FIAB CSc1ccccc1NC(=O)CN(C)Cc1c(F)cccc1Cl 3616961 XQTLUGNBTUWAMB-UHFFFAOYSA-N 352.862 4.272 0 40 FIAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C)c1ccccc1 3895848 UFSPSELVZYPIMF-CAOKTKFFSA-N 358.526 4.221 0 40 FIAB CCS(=O)(=O)c1nc2ccccc2n1Cc1cccc2ccccc12 4304842 DTWQHANUQHAXQO-UHFFFAOYSA-N 350.443 4.031 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(F)c(F)c1 4305049 JBDCROVECSHVRF-LJQANCHMSA-N 368.383 4.092 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)N3CCCC[C@H]3C)s2)c1 4838206 XVHASGPMMHSPTB-CYBMUJFWSA-N 362.524 4.083 0 40 FIAB CCCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2cccnc2)s1 4881745 PHRIGYVJCNCBHO-UHFFFAOYSA-N 368.462 4.056 0 40 FIAB COC(=O)c1ccc2nc(Nc3nc4ccc(OC)cc4s3)sc2c1 5025735 YRCGMAXGOOVABK-UHFFFAOYSA-N 371.443 4.445 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 5099223 DBBVDMBVQSDYDF-UHFFFAOYSA-N 362.351 4.257 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 5262854 IBFJETIFNDCJFM-MRXNPFEDSA-N 373.522 4.478 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cccc(C(F)(F)F)c1 6251116 SEMAAUUDEVNFJD-FNORWQNLSA-N 350.292 4.191 0 40 FIAB Cc1c(F)cccc1NC(=O)Cn1ccc2cc(Br)ccc21 6389819 RELINMANLHXBQS-UHFFFAOYSA-N 361.214 4.490 0 40 FIAB O=C(c1ccccc1)c1c(O)c(Br)c(-c2ccccc2)oc1=O 6618418 GZOBPTDOHPGVGU-UHFFFAOYSA-N 371.186 4.006 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@@H]2CCSc3ccccc32)c(OC)c1 6654244 LXOOORZVTAVIHQ-ZNNBYXKUSA-N 369.486 4.460 0 40 FIAB COc1cc(OC)cc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)c1 7090548 HWRCYBPLFRSXMD-SECBINFHSA-N 361.250 4.040 0 40 FIAB CN(C)[C@@H](CNC(=S)Nc1ccc(F)c(Cl)c1)c1ccccc1 7637264 MASGOVICBCENKJ-INIZCTEOSA-N 351.878 4.068 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccccc2C(C)C)c1 8355804 QGGUVAWVCWIFGW-HNNXBMFYSA-N 357.450 4.083 0 40 FIAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1cc2ccccc2o1 9050589 RVCKLSCCRLRRGK-HNNXBMFYSA-N 362.429 4.046 0 40 FIAB Cc1cccc(OCc2nc(C)c(C(=O)NCc3ccccc3)s2)c1 9251013 ZPMFNQAUMBXFSY-UHFFFAOYSA-N 352.459 4.269 0 40 FIAB CC(C)c1cccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)c1 9954625 RSTWOOCMWZBDJD-UHFFFAOYSA-N 358.492 4.431 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 10512234 DPPVOWNJPWHGCR-UHFFFAOYSA-N 357.456 4.419 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1cc(=O)c(OCc2ccccc2)co1 11856548 AJWOYNMKGMVHNO-UHFFFAOYSA-N 355.777 4.125 0 40 FIAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccc(Br)cc1 11944735 JEGMIVXFOLGJBY-WEVVVXLNSA-N 363.207 4.135 0 40 FIAB CCOc1ccc2[nH]c(=O)c(CNc3cc(Cl)ccc3OC)cc2c1 12493218 REZHNIXRSSIUQH-UHFFFAOYSA-N 358.825 4.201 0 40 FIAB CCOc1ccc2nc(SCC(=O)N[C@@H](C)c3ccc(F)cc3)[nH]c2c1 12550141 BKDVYSKFJXXZKS-LBPRGKRZSA-N 373.453 4.070 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1C 12881378 YQLWDJGWZQKGHW-INIZCTEOSA-N 367.923 4.472 0 40 FIAB COc1ccc(OC)c(-n2c(SC)nnc2-c2c[nH]c3ccccc23)c1 13131196 TXDBGQBWZBGHEF-UHFFFAOYSA-N 366.446 4.155 0 40 FIAB Cc1nc(CSc2ccc(Cl)cc2)cc(N2C[C@H](C)O[C@H](C)C2)n1 13142077 AHOLCSNBDHKBQQ-BETUJISGSA-N 363.914 4.344 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 13649297 SRFBARDOWMAINV-OAHLLOKOSA-N 357.475 4.432 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)OCCCO2 14169894 ABYWNSFGRXHIFW-UHFFFAOYSA-N 352.415 4.224 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 15330367 CWXWIPGHINTMGD-NRFANRHFSA-N 351.471 4.204 0 40 FIAB CCn1cc([C@@H](NC(=O)c2ccccn2)c2ccc(F)cc2)c2ccncc21 19524843 PXOKITUIBDKQST-NRFANRHFSA-N 374.419 4.110 0 40 FIAB CCOc1ccc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1OC 19533808 DJPJZWYHPRQCIC-KRWDZBQOSA-N 365.477 4.350 0 40 FIAB COc1cc(NC(=O)c2cccc(C)c2OC)ccc1-c1ccc(CO)o1 20143071 QRFOSOTUCNKXDO-UHFFFAOYSA-N 367.401 4.017 0 40 FIAB COc1cc(C(=O)O)cc(Cl)c1OCc1cccc(Br)c1 20377140 DJBVXPBYTDPMHF-UHFFFAOYSA-N 371.614 4.388 0 40 FIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 20461168 WNRFZUWQNHAUFE-INIZCTEOSA-N 355.478 4.467 0 40 FIAB Cn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nc2sccc2c1=O 21164030 GVRBWCNAXOWLNO-UHFFFAOYSA-N 372.515 4.268 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc2ccccc12 21596273 DADNDWFUPFPMPB-UHFFFAOYSA-N 350.443 4.284 0 40 FIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)OCO2 22245897 JIRPQOFINLFIQL-UHFFFAOYSA-N 371.393 4.315 0 40 FIAB CCc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCCCC2)cc1 22853088 SNWFLYIQTMQJLQ-KRWDZBQOSA-N 370.522 4.197 0 40 FIAB O=C(Oc1ccc2oc3ccccc3c2c1)c1cn(Cc2ccccc2)nn1 24356310 HWCIDOWOTHEVPX-UHFFFAOYSA-N 369.380 4.445 0 40 FIAB CC(C)Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 32579406 FOQYNMJTYOLRMS-UHFFFAOYSA-N 370.453 4.110 0 40 FIAB C[C@@H](N[C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 32855734 NKRKZNXXLKLFMF-CHWSQXEVSA-N 368.872 4.263 0 40 FIAB CCOc1c(Br)cc(F)cc1NC(=O)c1cc(C)oc1C 32899268 LNBNRZFDADSLHJ-UHFFFAOYSA-N 356.191 4.449 0 40 FIAB Cc1nc(C)c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)s1 32903733 CEZNTBFOYXVTEZ-HNNXBMFYSA-N 363.552 4.024 0 40 FIAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc(Cl)cc1 32914740 MUABJFJLFAADJL-UHFFFAOYSA-N 370.880 4.286 0 40 FIAB Cc1noc(-c2cccc(NC(=O)c3ccccc3Br)c2)n1 33012768 SCLIHLQXIIWMOG-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB Cc1sc2nc(-c3ccc(-c4ccc(C(=O)O)cc4)o3)[nH]c(=O)c2c1C 33333332 QTQBBNVCJYKPHO-UHFFFAOYSA-N 366.398 4.227 0 40 FIAB O=C1N=C(O)/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccco1 33579651 QGNKPCSCXFVLFR-CPNJWEJPSA-N 372.380 4.449 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1ccccc1F 35289775 UOZHKRXQVIKEEN-YQQQUEKLSA-N 370.443 4.280 0 40 FIAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccccc1F 36621209 UZMPRRAJBFSUPU-HXUWFJFHSA-N 359.466 4.230 0 40 FIAB Cc1ccc2nc(COc3ccccc3C(=O)Nc3ccccc3O)cn2c1 47064284 ZJOCDOHPZQTKGU-UHFFFAOYSA-N 373.412 4.180 0 40 FIAB CCc1ccc([C@H](C)NC(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 48374801 AJVWIWARFDYOHV-INIZCTEOSA-N 365.477 4.254 0 40 FIAB CC[C@H](CNC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 53980330 LCGCPUJQLZWPGD-CQSZACIVSA-N 358.438 4.028 0 40 FIAB FC(F)(F)c1ccc2nnc(CNCc3ccccc3C(F)(F)F)n2c1 57643451 GGOBELKEGOEXMA-UHFFFAOYSA-N 374.288 4.057 0 40 FIAB O=C(NCc1noc(-c2ccccc2)n1)c1ccccc1-c1ccccc1 58050620 OFONIRRTMFXNNE-UHFFFAOYSA-N 355.397 4.334 0 40 FIAB CCCc1nc(C)c(C(=O)Nc2ccccc2NC(=O)N2CCCC2)s1 58224170 OJIXGMUXUAMRHD-UHFFFAOYSA-N 372.494 4.284 0 40 FIAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)CC(C)C)ccc21 65322199 NTOZFFKUPWATBO-UHFFFAOYSA-N 356.514 4.417 0 40 FIAB C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2nc(-c3ccccc3Cl)no2)C1 72308135 ZEXBWCCNYCWSLU-YJYMSZOUSA-N 363.889 4.057 0 40 FIAB Cn1c(Cl)cnc1CNc1ccc(F)c(NC(=O)Cc2ccccc2)c1 79017432 FNBYWWXOVSMMKC-UHFFFAOYSA-N 372.831 4.006 0 40 FIAB CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2C)c1 79111593 XPABQZALPJWJPY-UHFFFAOYSA-N 358.246 4.305 0 40 FIAB O=C(CCCc1cccs1)NCc1ccnc(N2CCCCCC2)c1 89799994 WONDGXZDSKRTNY-UHFFFAOYSA-N 357.523 4.163 0 40 FIAB O=C(N[C@@H]1COc2ccccc21)N1CCC[C@@H]1Cc1ccccc1Cl 89813879 MFBQUFYQAINBPJ-CRAIPNDOSA-N 356.853 4.190 0 40 FIAB COc1ccccc1CC(=O)NCc1sc(-c2ccccc2F)nc1C 90592929 VGNVPLDHAGOSIC-UHFFFAOYSA-N 370.449 4.125 0 40 FIAB CN(C)C[C@@H](NCc1c(-c2ccccc2)nc2ccccn12)c1ccccc1 95406253 WRQIOPUOMJVHBX-OAQYLSRUSA-N 370.500 4.394 0 40 FIAB CC1(C)CCN(S(=O)(=O)c2cccc3cccnc23)c2ccccc21 96184058 BGFLZSPEVUMNKI-UHFFFAOYSA-N 352.459 4.111 0 40 FIAB C[C@H]1CCCCN1C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1C 96266361 PSLSLTWSGPELLF-INIZCTEOSA-N 360.461 4.164 0 40 FIAB CNc1c(NC(=O)Nc2ccc(C)c(Cl)c2)c(=O)oc2ccccc12 101094542 SPLIZYCPMZRGFJ-UHFFFAOYSA-N 357.797 4.441 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)OCc1cc(-c2ccccc2)on1 104176465 HJYKKHIHSUPLQD-KILAXVPQSA-N 367.445 4.106 0 40 FIAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCc1c(C)noc1C 110918458 UJHXMQOSQTXAHA-KBPBESRZSA-N 355.482 4.330 0 40 FIAB Cc1nn(C)c(C)c1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206999263 WGZARGSKWFYYLO-MRXNPFEDSA-N 363.914 4.011 0 40 FIAB COc1cc(Br)c2[nH]c(-c3cc(N)ccc3Cl)nc2c1 216918010 MKBCFLAVBIFUPY-UHFFFAOYSA-N 352.619 4.237 0 40 FIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222959083 YZBXFCJGPGQHDG-QZTJIDSGSA-N 356.539 4.411 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223720385 ITAOGTKKEHUZRH-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 224590436 FIYAVGRBOLLEEI-DLBZAZTESA-N 353.472 4.026 0 40 FIAB O=C(O)C[C@H](NC(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl 225232563 VQXYSICOYPZBTD-AWEZNQCLSA-N 369.273 4.496 0 40 FIAB Cc1cc(N2CCCCCC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225963123 APFZGHXYPGAKAM-INIZCTEOSA-N 369.538 4.213 0 40 FIAB Nc1ccc(N2CCCC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 226255818 KOLMXODEXITNRI-UHFFFAOYSA-N 350.249 4.428 0 40 FIAB Cc1nn(CCNC(=O)c2c(F)cccc2Cl)c(C)c1-c1ccccc1 238831261 FYMBFAJFSGSXCI-UHFFFAOYSA-N 371.843 4.389 0 40 FIAB Cc1nc([C@@]2(C)CCCN(C(=O)c3cccc(F)c3)C2)c2sccn12 257227108 FNRWPLLQWVMVSK-IBGZPJMESA-N 357.454 4.037 0 40 FIAB S=C(NC[C@H]1CCCO1)c1ccccc1OCc1ccc(Cl)cc1 408577901 VOOYSWHIQWFAJW-MRXNPFEDSA-N 361.894 4.363 0 40 FIAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccco1 408713343 UHEPFXCVWLCQAL-UHFFFAOYSA-N 354.431 4.373 0 40 FIAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OC)cc3C)S2)cc1 408771949 JGBSFCWOLZMLBA-JKALPCAWSA-N 354.475 4.166 0 40 FIAB COc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2cccc(C)c2)cc1 408846572 TXJQTBBDXSEFJX-RCCKNPSSSA-N 369.424 4.233 0 40 FIAB Cc1cc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c2nccc(C)c2c1 555869571 IRMOIOXBLWIYBH-UHFFFAOYSA-N 359.429 4.379 0 40 FIAB Cn1cc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)c(-c2ccoc2)n1 567837778 CGOAPPKYGQAVAO-UHFFFAOYSA-N 365.408 4.291 0 40 FIAB CC[C@@H]1CCc2nc(O)c(C(=O)NCc3ccc4sccc4c3)cc2C1 1570046252 RWXDITMFDOBOQW-CYBMUJFWSA-N 366.486 4.447 0 40 FIAB C[C@@H]1Oc2ccc(-c3csc(NC(=O)C4CCCCC4)n3)cc2NC1=O 11904337 RGOFJRAQXDZAPR-NSHDSACASA-N 371.462 4.048 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(C3CCCCC3)n2C)c1 797570 RSTUVNURTVUVAB-UHFFFAOYSA-N 358.511 4.210 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 1004052 BETSYXNPFBBDTF-UHFFFAOYSA-N 366.461 4.075 0 40 FIAB COC(=O)[C@@]1(c2ccccc2)N=C(c2ccc(C)cc2)ON1c1ccccc1 1589003 JIAVRFRADFGXGK-QHCPKHFHSA-N 372.424 4.219 0 40 FIAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1ccc(O)cc1 3150021 NPHSUWBEGSXSDZ-UHFFFAOYSA-N 368.186 4.109 0 40 FIAB CCCC[C@H](CC)COC(=O)[C@@H](O)CC(=O)OC[C@H](CC)CCCC 4759380 ZDVFAKWEMOAQQR-SQNIBIBYSA-N 358.519 4.257 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1OC 6247390 DNMNXHMQECYHTP-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB COc1ccccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 6458305 UAURHKWOZXWYHR-UHFFFAOYSA-N 361.441 4.303 0 40 FIAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(C)C 6606742 VWOJFDVNXNGRJQ-BOPFTXTBSA-N 351.402 4.135 0 40 FIAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 7504700 LBAPZSRZICVDDI-UHFFFAOYSA-N 358.441 4.443 0 40 FIAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)c(C)c1 101275581 VCFAOWOZYHFXDU-SFHVURJKSA-N 350.462 4.281 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Cl)cc21 8959484 PHEFYCHBVMGZST-UHFFFAOYSA-N 372.852 4.364 0 40 FIAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(C(C)C)C3 54313733 BQNFNQWEOMBCIL-UHFFFAOYSA-N 365.429 4.337 0 40 FIAB biogenic O=C(Nc1nncs1)N[C@H](c1ccccc1)c1cc2ccccc2o1 43129559 ZTVVNNUSAKQRSH-MRXNPFEDSA-N 350.403 4.195 0 40 FIAB CCOC(=O)n1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1397814 BXGHWSZPHFTVSB-UHFFFAOYSA-N 365.216 4.163 0 40 FIAB Cc1cc(C(=O)NCc2cccc(NC(=O)C3CCCC3)c2)c(C)s1 55832861 MOTFBFMEBDHLJV-UHFFFAOYSA-N 356.491 4.424 0 40 FIAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 107333296 ONYWBJNOKGLNNU-OFVDUGFESA-N 369.509 4.049 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccnc(Cl)c2)cs1 26884806 WREBJQPRKTWPJD-UHFFFAOYSA-N 355.850 4.370 0 40 FIAB O=C(CC[C@H]1C(=O)Nc2ccccc21)Nc1nnc(C2CCCCC2)s1 100778576 VZDKICRKHKGVBX-CQSZACIVSA-N 370.478 4.040 0 40 FIAB CC(=O)OC[C@@]12CO[C@@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 105365140 UFMOTNAISQKEDK-UDBCTEGJSA-N 357.494 4.222 0 40 FIAB Cc1nccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 84290733 NBMKCOZIVQRUMT-NRFANRHFSA-N 371.396 4.047 0 40 FIAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27582187 SOGCWFBPDNWQLI-IBGZPJMESA-N 372.534 4.204 0 40 FIAB C[C@@H]1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)c2ccccc2S1 44919943 KFBJTWIEWUYJKH-GFCCVEGCSA-N 370.503 4.075 0 40 FIAB CC(C)(C)C(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O 57720527 HBPJDBNGIUZWQZ-UHFFFAOYSA-N 353.466 4.114 0 40 FIAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1c1nccs1 2247354 RMNLLMQERNYAJE-AWEZNQCLSA-N 366.423 4.061 0 40 FIAB COc1ccc(NC(=O)c2ccccc2Cl)cc1-c1ccc(CO)o1 20137796 SVEPCHOSUFGHHN-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1F 2348900 WZNDXVXFTQSMTA-CLOONOSVSA-N 365.385 4.303 0 40 FIAB Cc1cccc(-c2noc(CN(C(=S)NC3CCCCC3)C(C)C)n2)c1 12654230 UHFYDSHAAZUXQT-UHFFFAOYSA-N 372.538 4.463 0 40 FIAB CCc1cc(C(=O)N(CC)CC)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621711 GFNKREURAOUSPW-UHFFFAOYSA-N 362.477 4.342 0 40 FIAB Cc1cccc(CN2CCC(NC(=O)Nc3cccc4cnccc34)CC2)c1 45743388 NUHDWOHZWSZHTI-UHFFFAOYSA-N 374.488 4.329 0 40 FIAB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(OC)c1OC 2512682 JDAHIZMMRHVRFZ-UHFFFAOYSA-N 355.434 4.163 0 40 FIAB CCc1cccc(CC)c1NC(=O)COc1cc(OC)ccc1C(C)=O 3389017 KMNRAKTUEPJDLQ-UHFFFAOYSA-N 355.434 4.040 0 40 FIAB C[C@H](NC(=O)CN1CCC[C@@H](C(F)(F)F)C1)c1ccc2ccccc2c1 12877337 ZWDXIWSFKJZMHE-KBXCAEBGSA-N 364.411 4.291 0 40 FIAB COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1Cl 29569730 GFRVHUPFXAUQEB-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1cccc(F)c1 12928783 PBNDICLNGYRMOW-INIZCTEOSA-N 355.240 4.165 0 40 FIAB COc1ccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(N)=O)cc1 13896246 DMKCMLTUDTZROE-FXBPSFAMSA-N 363.200 4.080 0 40 FIAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccncc2)cc1 9419646 LCHJFJCRLGPVFW-UHFFFAOYSA-N 372.380 4.320 0 40 FIAB COc1ccc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1F 5320068 KMXWZCIFVXBGPX-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cc1 65710598 ZZBPUUBYLCKRLJ-FLOBVVSRSA-N 358.507 4.071 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nonc2-c2ccccc2)c1 8916922 FNXZQXSHRZKRCY-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB Cc1occc1-c1nnc(SCc2cc(-c3cccs3)on2)n1C 9054217 WTMXKEYWADPTHJ-UHFFFAOYSA-N 358.448 4.392 0 40 FIAB COc1ccc(C(=O)c2cnc3cc(OC)c(OC)cc3c2Cl)cc1 67341038 CWZKYEICGURKOY-UHFFFAOYSA-N 357.793 4.145 0 40 FIAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(Cl)cc1 7645210 YWJAEYXCPSKXOX-UXBLZVDNSA-N 357.837 4.173 0 40 FIAB CCc1ccc(CN(Cc2cccnc2)C(=O)Cc2cccc(OC)c2)cc1 7778007 RBTVMYMSHLSLOS-UHFFFAOYSA-N 374.484 4.424 0 40 FIAB C[C@@H]1CC(=O)c2cn3nc(SCc4cccc5ccccc45)nc3nc2C1 20632297 AHJRXFNWEPVUFC-ZDUSSCGKSA-N 374.469 4.335 0 40 FIAB CN1CCN(Cc2c(-c3ccccc3)nc3ccc(Cl)cc3c2O)CC1 19793407 IWZQECWZDHUCQS-UHFFFAOYSA-N 367.880 4.008 0 40 FIAB Cc1oc(-c2ccco2)nc1CC(=O)N1C[C@H](C(C)C)Nc2ccccc21 81794539 BWLNEGKXXPUKMQ-QGZVFWFLSA-N 365.433 4.269 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(OCC(F)(F)F)cc1 9338965 UOJNWBICUHTIBW-LBPRGKRZSA-N 368.355 4.075 0 40 FIAB O=C(Nc1cnn(CC2CC2)c1)c1ccc(-c2ccc(F)cc2)cc1F 72303791 WCXSYIIIXLRVJI-UHFFFAOYSA-N 353.372 4.491 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)cc1C 19911253 XNGAEPAIRJZPRV-UHFFFAOYSA-N 372.375 4.046 0 40 FIAB Fc1cc(F)cc(Cc2nnc3sc(-c4ccccc4Cl)nn23)c1 20726656 CZBWBTPYYAXMFM-UHFFFAOYSA-N 362.792 4.375 0 40 FIAB O=S(=O)(Cc1ncc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 95467907 RBRXIYBKKDNUAN-UHFFFAOYSA-N 370.179 4.381 0 40 FIAB CC[S@@](=O)c1ccccc1C(=O)N[C@H](C)c1oc2ccccc2c1C 89274745 SXXXFQLXNZVIBX-PWECECGKSA-N 355.459 4.360 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)n(-c2ccc(F)cc2)n1 28245239 YBSCPZWLZLHGRE-CYBMUJFWSA-N 373.815 4.379 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)c2nccnc2N)cc1Cl)c1ccccc1 60100657 JAVQQSAZGPXCJT-GFCCVEGCSA-N 367.840 4.138 0 40 FIAB Fc1ccccc1-c1nnc(N2CCCC3(CC3)C2)n1C[C@@H]1CCCCO1 549657773 WXLYATMRDANVSX-INIZCTEOSA-N 370.472 4.034 0 40 FIAB O=C(COc1cc(F)cc(F)c1)Nc1ccc(Nc2ccccc2)cn1 1533530814 APXWITMACSRMQT-UHFFFAOYSA-N 355.344 4.121 0 40 FIAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2)cc1 72412723 QGNOXISPCFYSFL-KRWDZBQOSA-N 351.431 4.112 0 40 FIAB CCOc1ccc(CCC(=O)N2CCCc3ccccc32)cc1OCC 216477089 IPPMVRZSEOHJBO-UHFFFAOYSA-N 353.462 4.396 0 40 FIAB CCn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2ccccc21 64960891 NHTDQQBURYDCOE-UHFFFAOYSA-N 351.793 4.392 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 39766916 QNLHAMGLHPYNIT-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCCc2ccccc21 219316325 UFHUIIYXBRVMNS-OAQYLSRUSA-N 366.505 4.112 0 40 FIAB O=S(=O)(O)c1ccc2nc(-c3cccc(Cl)c3)[nH]c3cccc1c23 226249271 VPSJRQGSFLCKFQ-UHFFFAOYSA-N 358.806 4.283 0 40 FIAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2O1 224551946 QMHWFNWSMZITCF-SFHVURJKSA-N 359.491 4.189 0 40 FIAB CC[C@@H](C)NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 40120560 ZDTZTVRRWAHQGA-SNVBAGLBSA-N 369.343 4.471 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)s1 225819546 OYOHJIJMLHNYJW-CYBMUJFWSA-N 351.497 4.063 0 40 FIAB O=C(CCCOc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 44874719 BADRGKZFCMFUNH-UHFFFAOYSA-N 366.505 4.148 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223220992 YCEFVJHQDLKXJD-VFNWGFHPSA-N 353.462 4.219 0 40 FIAB S=C(NCCCN1CCCCCC1)Nc1cccc(Br)c1 225398912 HVUSPXUSGCZFMY-UHFFFAOYSA-N 370.360 4.002 0 40 FIAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OC)cc1C(=O)OC 225799747 DFNLKFVXOYKHDM-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCc1ccc(F)cc1 222674410 OWTNOHCTWWTJAX-MRXNPFEDSA-N 355.453 4.221 0 40 FIAB CC(=O)N[C@]1(C)C[C@H](c2ccc(N3CCCC3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257284837 PENKIONBJBNHPM-ZLVRZWSFSA-N 370.537 4.448 0 40 FIAB CC(=O)N[C@]1(C)C[C@H](c2cc(F)c(F)cc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257310391 UEWVVCSTVLLTTP-XBRVJIFUSA-N 355.400 4.265 0 40 FIAB O=C(Nc1cccc(OC(F)(F)F)c1)c1n[nH]c2c1CCCCCC2 257309884 UCUDIVHHPLURSO-UHFFFAOYSA-N 353.344 4.220 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4)OCC[C@@]31C2 257320069 VVFIIRIIUQTAQX-XUKPVSMISA-N 357.494 4.104 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N(C)Cc1nc2ccccc2n1C 600516418 AVGUASZBSCUUJB-UWVAXJGDSA-N 371.525 4.009 0 40 FIAB C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(OCC(F)F)n1 545908768 XJMDNTDEGNQKRW-NSHDSACASA-N 365.355 4.016 0 40 FIAB CCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5235935 RTXZNBFBNNKWIR-ZDUSSCGKSA-N 369.852 4.239 0 40 FIAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1F 5638087 FULRIYZOPLAIMY-UHFFFAOYSA-N 350.397 4.063 0 40 FIAB COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC(F)F 5938537 IUJVGZVVXRSNIL-LHJMJDNXSA-N 365.351 4.326 0 40 FIAB CCCOc1c(CN2CCC(O)(c3cccc(C)c3)CC2)cccc1OC 12344799 JPBPKOWDEYHTML-UHFFFAOYSA-N 369.505 4.276 0 40 FIAB CC1(C)C[C@]2(C[C@H](c3ccc(F)cc3)c3ccc(O)cc3O2)N=C(S)N1 13658227 ANOXBSSEJWHJMV-OXQOHEQNSA-N 372.465 4.200 0 40 FIAB COc1ccccc1[C@@H](CCN[C@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccco1 13804702 IRQFLDPUVMQMKX-CUDHKJQZSA-N 356.510 4.129 0 40 FIAB Fc1ccc(CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)c(F)c1 13989771 ASZJIQWEZBIUQD-UHFFFAOYSA-N 368.383 4.291 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 16020537 CILPMUULHKNTEQ-GOSISDBHSA-N 358.441 4.448 0 40 FIAB CC(C)c1nccn1[C@H](C)C(=O)N1CCC[C@@H](COc2ccccc2F)C1 19454277 MCZBVYQAHYZVBH-IAGOWNOFSA-N 373.472 4.024 0 40 FIAB CCCn1ncc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)c1C 19525894 HCQVWSBKBQMVQR-LJQANCHMSA-N 368.868 4.169 0 40 FIAB CC(C)(C)CN(C(=O)c1cc(-n2cccn2)ccn1)c1ccc(F)cc1 156514038 PSVPRSLREXJUTH-UHFFFAOYSA-N 352.413 4.099 0 40 FIAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)CC(C)(C)C)C2)N1C 643574219 JNQLFXXMTHWBEH-MOPGFXCFSA-N 357.542 4.038 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc3cn[nH]c23)cc1 26917614 LAYYJZSHLPKURP-UHFFFAOYSA-N 371.400 4.459 0 40 FIAB C[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 36408681 ZMWDQOZHUJPDBR-JDSLSITLSA-N 373.378 4.443 0 40 FIAB Cc1cc(NC(=O)Nc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1 4099366 UKCHVVKOGKUXAD-UHFFFAOYSA-N 372.432 4.319 0 40 FIAB CCSc1ccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)cc1 4585867 OQILXAINZMQNAG-UHFFFAOYSA-N 355.419 4.110 0 40 FIAB Fc1cc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc(F)c1F 225577988 XVLKYYZEWVICOA-UHFFFAOYSA-N 369.306 4.355 0 40 FIAB O=C(Nc1ccc(SC2CCCC2)cc1)C1CCN(C(=O)C2CC2)CC1 30183886 JYFZVEGDWWFNPW-UHFFFAOYSA-N 372.534 4.308 0 40 FIAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4ccco4)cc3)o2)c1 30808350 AXDWTESGVXKTEP-UHFFFAOYSA-N 359.385 4.235 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(F)cc2Br)cc1 20430232 KKKUKAUDKHKGED-UHFFFAOYSA-N 352.203 4.168 0 40 FIAB CC(C)(C)c1nc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2[nH]1 32465285 OHTUBWALVYBFPY-WEVVVXLNSA-N 363.417 4.241 0 40 FIAB Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cc(C)ccc2C)cc1 858347 OJKQKVQYXKBBHU-OAQYLSRUSA-N 362.429 4.256 0 40 FIAB Nc1c(C(=O)Nc2cnc3ccccc3c2)sc2nc3c(cc12)CCC3 1010373 IJXFXJALKIRJNY-UHFFFAOYSA-N 360.442 4.168 0 40 FIAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccccc1 1030784 CCYQPOWKAFWJQN-OAQYLSRUSA-N 360.413 4.128 0 40 FIAB Cc1cc(C(C)(C)C)cc(C)c1C(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21 1320302 YTYLBIMYNDVYOL-QHCPKHFHSA-N 365.473 4.038 0 40 FIAB Cc1nc(NC(=O)c2ccncc2)sc1C(=O)Nc1ccccc1Cl 1379002 WUTHDPTYZGTKGA-UHFFFAOYSA-N 372.837 4.005 0 40 FIAB O=C1OCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1429532 VJNHGSFMHBMQCL-OAHLLOKOSA-N 373.330 4.037 0 40 FIAB C[C@@H](OC(=O)CCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 1981430 WSQRVMJJSNYQBF-GFCCVEGCSA-N 366.244 4.496 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(COc2ccccc2)n1 2798248 QXRAUBXQAJXORC-UHFFFAOYSA-N 362.216 4.479 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)[C@@H](C)C3=O 3871222 DOQZDHYXBAJGFY-VXGBXAGGSA-N 370.445 4.449 0 40 FIAB COc1ccc(-n2nnc3c(S[C@@H](C)c4ccccc4)ncnc32)cc1 4166771 QNBPGLUBKRABBT-ZDUSSCGKSA-N 363.446 4.072 0 40 FIAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccc(F)cc1 4171948 PPHLPJFDMOPCTA-UHFFFAOYSA-N 364.298 4.164 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(F)c(F)c1 4305048 JBDCROVECSHVRF-IBGZPJMESA-N 368.383 4.092 0 40 FIAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1cc(C)on1 4849502 BAIRSVDRFRFLIM-UHFFFAOYSA-N 355.463 4.441 0 40 FIAB O=C(COc1ccccc1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 5169595 CXPCSGBIJHTBOK-UHFFFAOYSA-N 364.188 4.061 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccc(Cl)cc1 5252305 CRPWIBZZUVGZBW-UHFFFAOYSA-N 354.837 4.282 0 40 FIAB Cc1cc(Br)ccc1NC(=O)c1ccc(Br)o1 5680118 JFXZULITEJZXJR-UHFFFAOYSA-N 359.017 4.365 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3F)n2)cc1 5867234 DCOKEEHAGQPTQD-LBPRGKRZSA-N 356.426 4.039 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cccc(Br)c1 6231849 KFWYAKQBJCKJRB-UHFFFAOYSA-N 374.156 4.485 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)c2cccc3cccc1c23 6468756 GGGVBVMPIBHIDA-GFCCVEGCSA-N 350.805 4.481 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)c(C)c1 6472919 IJRWECYMLAOGPX-UHFFFAOYSA-N 366.442 4.450 0 40 FIAB COC(=O)c1ccc(/C=C/c2nc3sc4c(c3c(=O)o2)CCCC4)cc1 7140980 ZRZVNMXVYYRQFT-DHZHZOJOSA-N 367.426 4.085 0 40 FIAB CCOc1ccccc1C(=O)OCC(=O)Nc1c(C)cc(C)cc1Cl 7508346 ZQSJYHJCGDULHA-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8366798 AXNFRZXQHVFEEG-HXUWFJFHSA-N 374.440 4.226 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(Br)c1 8478358 IGWSJGQPKFHDKI-AWEZNQCLSA-N 352.203 4.384 0 40 FIAB CCn1ncc(Cl)c1C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188218 AZYQMBWRZCWOQZ-INIZCTEOSA-N 368.868 4.124 0 40 FIAB Cc1cc(-c2ccccc2)nc2cc(-c3nc(-c4cccs4)no3)nn12 12414861 VWZILGYZGYICAO-UHFFFAOYSA-N 359.414 4.483 0 40 FIAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 12628922 BSUYSTMVEPSQNF-KRWDZBQOSA-N 357.816 4.262 0 40 FIAB CC[C@@H](C)[C@@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 12799613 KNIONYAIEHOMRA-FOIQADDNSA-N 350.462 4.347 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@H]2C 12931376 JUCQZLQHRIQOHE-OLZOCXBDSA-N 371.408 4.239 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)n[nH]2)cc1Cl 13126940 WIAJUICAOMLLJG-UHFFFAOYSA-N 371.824 4.313 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14019849 HMDLZYVERIQKAP-ZDUSSCGKSA-N 363.417 4.035 0 40 FIAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccco2)c1 14240505 QRPWJLVYBXAXQZ-UHFFFAOYSA-N 373.412 4.071 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(C)c(-n3cccc3)c2)c(OC)c1 22241255 GSWYDEDJTYVFOT-UHFFFAOYSA-N 364.445 4.075 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cccs3)ccc21 22508385 DVJPPESVEGPRQG-UHFFFAOYSA-N 359.451 4.164 0 40 FIAB CCn1c(Sc2ncnc3sc(C)c(C)c23)nnc1-c1ccco1 24774571 GJSRZGSXSGKPNU-UHFFFAOYSA-N 357.464 4.331 0 40 FIAB O=C(Nc1nonc1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 27663315 KVQYSZWHLBJBDE-UHFFFAOYSA-N 366.764 4.297 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)n(Cc2ccccc2)n1 28243309 NEQGVIZGUJXRBP-SFHVURJKSA-N 363.461 4.263 0 40 FIAB COc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289379 ZLCBCMVASDZGRH-IBGZPJMESA-N 354.494 4.025 0 40 FIAB O=C(Cc1cn2ccccc2n1)N1CCc2sccc2[C@@H]1c1ccccc1 30166075 UGMMMAXLQZDKAE-QFIPXVFZSA-N 373.481 4.113 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)N[C@@H]1CCOc2ccccc21 32740793 GAJGVDPVXVPXLC-CQSZACIVSA-N 356.472 4.054 0 40 FIAB CCN(CC)CCNc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 36613820 HKNMCQMZUNEDQK-UHFFFAOYSA-N 354.832 4.488 0 40 FIAB O=C(NOCc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 40068905 JBTNLAMDJXVURI-GOSISDBHSA-N 356.422 4.408 0 40 FIAB COc1cccc(CO[C@H](C)C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 40094066 YZNZJHNBFQZYGM-CYBMUJFWSA-N 366.417 4.258 0 40 FIAB CN(C)c1ccc(NS(=O)(=O)C2=Cc3ccccc3CC2)cc1Cl 40152666 IOPKYYHWSSGVEM-UHFFFAOYSA-N 362.882 4.135 0 40 FIAB CCOc1cccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44919869 IKDVJYWYJNKFJR-UHFFFAOYSA-N 366.505 4.391 0 40 FIAB O=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(F)cc1F 45875361 IYFMCMRXJMLPQD-UHFFFAOYSA-N 360.408 4.062 0 40 FIAB Cc1nnc2sc(-c3cc(Cl)cc(Cl)c3Br)nn12 45920158 ZCXOPRDZJSXABL-UHFFFAOYSA-N 364.055 4.231 0 40 FIAB Cc1cc([C@H](C)NC(=O)Nc2nnc(-c3ccccn3)s2)c(C)s1 47790819 FSEUEJAHKNWEEG-JTQLQIEISA-N 359.480 4.161 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N(Cc1ccsc1)Cc1ccccn1 49521590 HTZPPWWBRGORPY-UHFFFAOYSA-N 365.414 4.234 0 40 FIAB CC(=O)c1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)cc1 54531211 AVIROKFKFWBXBL-UHFFFAOYSA-N 358.441 4.207 0 40 FIAB CCOc1ccccc1NC(=O)CS[C@H](C)c1nc(C(C)(C)C)no1 56257320 ASTGSSUKVYPAJX-GFCCVEGCSA-N 363.483 4.199 0 40 FIAB COc1cc2cc(C(=O)O)cc(-c3ccc(F)cc3)c2c(OC)c1OC 62702286 BIIWEHSIIBVMPB-UHFFFAOYSA-N 356.349 4.370 0 40 FIAB CCc1ccccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 64335822 ZEYKMAUWEKKEFW-NSHDSACASA-N 358.492 4.431 0 40 FIAB NC(=O)CSc1ccccc1NC(=O)CCCCCc1cccs1 67154211 SRNYJVUJSQHQPD-UHFFFAOYSA-N 362.520 4.067 0 40 FIAB CCCCN(Cc1cccc(OCC(N)=O)c1)[C@@H](CC)c1ccccc1 72285249 LHMMMGDLQPNQPC-NRFANRHFSA-N 354.494 4.304 0 40 FIAB C[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1 95431414 SMLTXSCIXCMEKM-MBSDFSHPSA-N 359.469 4.004 0 40 FIAB CO[C@H]1CCN(c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2)C1 96122244 AMQQSCGYJNDQDA-IBGZPJMESA-N 358.869 4.136 0 40 FIAB CCc1ccc(CN2CCC3(CC2)C[C@@H](N(C)Cc2ccccc2)CO3)o1 96220973 QBITWFANMYAVNL-HXUWFJFHSA-N 368.521 4.098 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 108922469 XQZSITUXVFULFY-KLJZETAQSA-N 357.538 4.342 0 40 FIAB C[C@@H](CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 110931587 LSEBNFCXOHZJGK-LBPRGKRZSA-N 358.290 4.217 0 40 FIAB Ic1ccc(-c2nc(-c3cccs3)no2)cc1 216667761 UQZJQZYIOXBCSW-UHFFFAOYSA-N 354.172 4.070 0 40 FIAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCC 222832237 MJQXIZMSZBKIBV-OAHLLOKOSA-N 352.906 4.164 0 40 FIAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 222910961 OHSDSIWRLZWAAJ-QGZVFWFLSA-N 374.500 4.206 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 223191580 CLQUZNHKDGTLGM-GOSISDBHSA-N 366.505 4.093 0 40 FIAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223403560 AQHUNKBATRXIKT-HXUWFJFHSA-N 372.896 4.202 0 40 FIAB COc1ccc(/C=C/C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224643952 QMVPGVLLMWUFJQ-JLHYYAGUSA-N 364.489 4.011 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)Cc1ccc(C)cc1C 224978643 MMDLAXQVKHWIEF-UHFFFAOYSA-N 355.463 4.006 0 40 FIAB O=C(NCc1ccnc(-c2ccco2)c1)NCc1cccc2ccccc12 225658139 YEWOPYOGAXAQPZ-UHFFFAOYSA-N 357.413 4.494 0 40 FIAB CO[C@H](CNC(=O)c1ccccc1Br)c1ccc(Cl)s1 225702884 NOQTWIHXHWBYPW-LLVKDONJSA-N 374.687 4.282 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)cc1OC 249025065 LHPGLBXMFQBONP-KXBFYZLASA-N 366.461 4.335 0 40 FIAB Cc1ccc2cnn(CCCNC(=O)CCCc3ccc(C)s3)c2c1 257173123 DFZPTSAUTMBWGZ-UHFFFAOYSA-N 355.507 4.244 0 40 FIAB O=C(CCc1ccccc1C(=O)O)N[C@@H](Cc1ccccc1)c1ccccc1 553934794 KNOQGTPETSTXPM-QFIPXVFZSA-N 373.452 4.418 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](Oc2ccncc2)C1 575613415 QMCQIRXXFJPRDC-CQSZACIVSA-N 365.355 4.176 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 618255978 LUEWMRSNDVKNSD-DZGCQCFKSA-N 373.499 4.094 0 40 FIAB Cc1ncc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c(C2CC2)n1 626552111 HKIYYJCVJXNUEV-UHFFFAOYSA-N 358.392 4.142 0 40 FIAB CC(C)c1[nH]c2c(I)cccc2c(=O)c1C(C)C 685938522 MTPGYHYTIHDOAQ-UHFFFAOYSA-N 355.219 4.380 0 40 FIAB CC[C@H](Cc1ccccc1Br)NC(=O)c1ccccc1F 1518569331 ZMSJVXNILUEVAV-CYBMUJFWSA-N 350.231 4.339 0 40 FIAB COc1cccc(OCC(=O)NCc2cc(-c3ccsc3)cs2)c1 1775969720 IDARJCQJJSDXMM-UHFFFAOYSA-N 359.472 4.180 0 40 FIAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCc2cc(F)c(F)cc21 46222673 XSASGFWEKVYJED-QGZVFWFLSA-N 373.399 4.116 0 40 FIAB Cc1cccc(OCCC(=O)Nc2ccc(Br)cc2F)c1 2628521 SPKWEGBMEPDPLD-UHFFFAOYSA-N 352.203 4.304 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1nc2ccc(C)cc2s1 2627804 UTJRTNUVAWTPRK-UHFFFAOYSA-N 350.447 4.156 0 40 FIAB O=S(=O)(Nc1ccccc1OC(F)F)c1cccc(Cl)c1Cl 2644377 PMDXUWADNAVFJK-UHFFFAOYSA-N 368.188 4.396 0 40 FIAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc(Cl)c1 873428 QMUSNYQIFDAMPF-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 887482 RNHKTEHEPDNBEV-JOYOIKCWSA-N 355.809 4.216 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2ccco2)C1 102603557 XWKWFBCNAZINHU-YPMLDQLKSA-N 368.343 4.215 0 40 FIAB COc1cccc2c1CC[C@H]1[C@@H]2CC[C@]2(OC(C)=O)CC(=O)CC[C@@]12C 4532267 JVKYKDNHRIEHDG-HQMSXXKGSA-N 356.462 4.196 0 40 FIAB COc1cc(Nc2ccc(-c3ccccc3F)nn2)cc(OC)c1OC 4859054 BVYMOYYJSMHCCG-UHFFFAOYSA-N 355.369 4.052 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 6396868 ZXZYMWXYNBHOMP-UHFFFAOYSA-N 354.450 4.450 0 40 FIAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2)CC1 6515756 RAQDQJINFALPID-UHFFFAOYSA-N 371.481 4.189 0 40 FIAB CCOc1ccccc1NC(=O)COc1ccc(Cl)c2cccnc12 7612352 YFVKVQLAPAGVPO-UHFFFAOYSA-N 356.809 4.304 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)CCCC(=O)O 8434568 ANZJQCKHRLCBJR-UHFFFAOYSA-N 374.824 4.094 0 40 FIAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@H](c2cccc(Cl)c2)CC3=O)n1 12321613 TXOOAYFTVZCVDU-HNNXBMFYSA-N 366.852 4.154 0 40 FIAB Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC=CN21 721305 FOXLJZUTGOIWQW-UHFFFAOYSA-N 359.273 4.360 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1 870521 JIBOFGBUFWLYPZ-UHFFFAOYSA-N 352.463 4.004 0 40 FIAB COc1ccc(-c2csc3c(=O)n(Cc4cccc(F)c4)cnc23)cc1 23126645 SXUIHPTWQHMNEO-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)n1nnc(-c2ccc(C)cc2)n1 23971363 PMFVHYAESTVRQU-HZPDHXFCSA-N 363.465 4.362 0 40 FIAB Cc1cc(C)c(NC(=O)CNc2nn3cc(C(C)(C)C)nc3s2)c(C)c1 24759982 NUJWTUOSHHLVFK-UHFFFAOYSA-N 371.510 4.064 0 40 FIAB Cc1cc(NC(=O)c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)no1 3181334 CMSSBCWPAHDQIT-GFCCVEGCSA-N 368.233 4.107 0 40 FIAB CC(=O)N(c1ccc(Cl)cc1)[C@H]1SC(=O)N(c2cccc(C)c2)C1=O 3196664 XCYZHMJSFBUZBD-KRWDZBQOSA-N 374.849 4.227 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1ccn(Cc2ccccc2F)n1 27916107 VRIBXAWLAZPCPK-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 12599950 CDXVWJYKBZLYPG-WSKFYRRCSA-N 369.364 4.351 0 40 FIAB CCOc1ccc(N2C(=O)CN(c3cccc4ccccc34)C2=S)cc1 3254048 RIVAFKMMKHJLEH-UHFFFAOYSA-N 362.454 4.377 0 40 FIAB O=C(O)CC1(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)CCCCC1 27057928 SXFPZYOZOJVABU-UHFFFAOYSA-N 356.422 4.459 0 40 FIAB CC(C)CC(=O)N1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 58194120 MRPUFDNLHJLJFA-UHFFFAOYSA-N 372.296 4.152 0 40 FIAB COc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333544 NVSPGWVPFRHJGO-UHFFFAOYSA-N 366.490 4.329 0 40 FIAB O[C@H]1Cc2ccccc2[C@H]1NCc1c(OC(F)F)ccc2ccccc12 51188206 VPUWYKKQWREVOD-AZUAARDMSA-N 355.384 4.189 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 58425928 WTXXZHVPBICKHX-QGZVFWFLSA-N 352.821 4.116 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3c(C)nn(C)c3n2)cc1 36616742 QUFBELZUPBDTIY-UHFFFAOYSA-N 362.477 4.268 0 40 FIAB CCCc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)[nH]1 11463888 IIODNIHFXXVHFC-UHFFFAOYSA-N 352.463 4.155 0 40 FIAB O=C(c1ccc(NC(=O)C2(c3ccc(F)cc3)CCC2)cc1)N1CCCC1 12766583 DARUGZZBQOKAJE-UHFFFAOYSA-N 366.436 4.122 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCCCC3)cc1 12828608 QSPSDSZSBNOWQN-UHFFFAOYSA-N 358.463 4.022 0 40 FIAB Cc1cc(-n2c(C)cc(-c3csc(N4CCSCC4)n3)c2C)no1 62580465 YGXGTOOPSCDEGC-UHFFFAOYSA-N 360.508 4.067 0 40 FIAB CCCCn1c(S[C@H](C)c2nc(CCC)no2)nc2ccccc2c1=O 12910585 XQMKXMRHNYKYIZ-CYBMUJFWSA-N 372.494 4.385 0 40 FIAB O=C(Nc1cccc2cccnc12)C1CCN(C(=O)Nc2ccccc2)CC1 12932509 PBTZRNCXHMNWEU-UHFFFAOYSA-N 374.444 4.117 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 3607543 PRJOMWYONXZUNR-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCCCN(C)C)c3ccccc3n2)cc1C 3634351 GMYFBBZUAOXQPR-UHFFFAOYSA-N 361.489 4.200 0 40 FIAB CC(=O)Nc1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1 48741863 UIJAMJUJSDTGKB-UHFFFAOYSA-N 365.408 4.261 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@H](C)c1ccccc1 13002103 BDSVXTFEGUMQFE-QGZVFWFLSA-N 362.477 4.121 0 40 FIAB O=C(CCc1ccccc1)Nc1cnn(Cc2c(F)cccc2Cl)c1 28574287 FXROMKKPMLCICK-UHFFFAOYSA-N 357.816 4.295 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)COC2 64379860 FHGNRHWKELTAIW-UHFFFAOYSA-N 369.471 4.113 0 40 FIAB O=C(OCCc1c[nH]nc1C(F)(F)F)c1csc(-c2cccs2)n1 64685455 NPPIEWIQNABNQU-UHFFFAOYSA-N 373.381 4.013 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NCCC1=CCCCC1 6060352 SGHOROWETADSBZ-UHFFFAOYSA-N 356.249 4.157 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 20049530 QVZRELUWXGJHTK-PMACEKPBSA-N 357.450 4.129 0 40 FIAB CC(C)(C)NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 6214788 KLAQBKDTJGJWIS-KRWDZBQOSA-N 358.869 4.116 0 40 FIAB C[S@](=O)c1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 5377799 YBADXLBWTRYJIC-XMMPIXPASA-N 352.337 4.160 0 40 FIAB Cc1ccsc1CN(C)Cn1nc(-c2cccs2)n(C)c1=S 14163633 KGIFWRVTUXHFKW-UHFFFAOYSA-N 350.538 4.139 0 40 FIAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1Cl 5613863 HGWSRZGFDZAJLX-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCc1ccc(F)cc1 14771672 XPMRLNRUDVTWRL-UHFFFAOYSA-N 372.827 4.426 0 40 FIAB COc1ccc(-c2nonc2NC(=O)c2ccc(OCC(C)C)cc2)cc1 8915184 FHGRQZXPMWPARY-UHFFFAOYSA-N 367.405 4.032 0 40 FIAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cccc(Cl)c1 5714817 PFDYFYDVVZDILS-UHFFFAOYSA-N 353.805 4.218 0 40 FIAB C[C@H](NC(=O)c1cncc(Br)c1)c1ccc2c(c1)CCCC2 15092298 GORMZDQAJDDNEM-LBPRGKRZSA-N 359.267 4.214 0 40 FIAB Cc1ccc(F)c(NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 67252846 YESPMMULIYLYAE-KRWDZBQOSA-N 350.340 4.018 0 40 FIAB Cc1nnc(COC(=O)c2ccccc2-c2nc3ccccc3s2)o1 7706750 FYRNQEUZMNCWQX-UHFFFAOYSA-N 351.387 4.012 0 40 FIAB CCc1ccccc1NC(=O)CN(C)C(=O)c1oc2ccccc2c1C 7961481 XQHBBXMKVPOBLZ-UHFFFAOYSA-N 350.418 4.014 0 40 FIAB O=c1cc(CN(Cc2ccc(F)cc2)C2CCCCC2)nc2sccn12 7988364 GXFBLJBDTPLWSX-UHFFFAOYSA-N 371.481 4.230 0 40 FIAB O=c1c2c3c(sc2nc2n1CC=C(c1ccccc1)S2)CCCC3 16755285 RYPJOVGTPLAPLR-UHFFFAOYSA-N 352.484 4.484 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1C(C)(C)C 16780057 NVACPGFCVKSQBL-YOEHRIQHSA-N 353.528 4.240 0 40 FIAB c1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccsc2n1 8203209 KMZYBQCZDUSEAH-OAHLLOKOSA-N 353.447 4.194 0 40 FIAB CCc1cc(C(=O)OC)c(NC(=S)Nc2cc(Cl)ccc2O)s1 17076029 WXPJEGWQXHLGFI-UHFFFAOYSA-N 370.883 4.265 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 20490967 LDOWNBAWXIXVPT-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=C(C)N2[C@H]1c1ccccc1OCC 408985318 AOLNFMCGTKKUTR-KRWDZBQOSA-N 358.463 4.243 0 40 FIAB Cc1cc(C)cc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 22857480 MFWDXLDYQCRKFY-UHFFFAOYSA-N 366.513 4.213 0 40 FIAB Cc1ccncc1C1=CCN(Cc2nc3cc(Cl)ccc3n2C)CC1 95986378 SFPVDBVFXOLZQD-UHFFFAOYSA-N 352.869 4.219 0 40 FIAB CCOc1ccc(C(=O)Nc2cnccc2OC(C)(C)C)cc1OCC 89267932 XEGCAUZYCPWBRV-UHFFFAOYSA-N 358.438 4.309 0 40 FIAB C[C@H](NC(=O)c1cccc(-n2nccc2-c2ccccc2)c1)c1ccon1 89913454 CJYUYJPNJFADJB-HNNXBMFYSA-N 358.401 4.018 0 40 FIAB CCc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 35672977 HGQAHARSUURMHJ-UHFFFAOYSA-N 352.478 4.305 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(C2CCCC2)n1 32501748 JFWOXUAGIXFKON-UHFFFAOYSA-N 361.511 4.405 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccnn2Cc2ccco2)c1 32593523 YXBLPSUWVHDPNJ-MRXNPFEDSA-N 367.449 4.362 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCC(c1ccco1)c1ccco1 675007806 RRLAWJDBKQGZME-UHFFFAOYSA-N 361.397 4.353 0 40 FIAB Cc1ccccc1C(=O)Nc1cc(Cl)c2nc(NN)sc2c1Cl 72229010 QKDAFWMOVMKUMW-UHFFFAOYSA-N 367.261 4.449 0 40 FIAB COc1ccccc1[C@@H](NCc1ccc(SC)cc1)c1nccn1C 42204860 FIVWDNVFZAPMAH-LJQANCHMSA-N 353.491 4.030 0 40 FIAB Cc1cc(C)c(C(=O)Nc2ccc(I)cc2)cc1C 225639309 CPSPOPQXMGTFJL-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB O=C(CSC1=N[C@@H]2CCCC[C@H]2O1)N1c2ccccc2[C@@H]2CCCC[C@@H]21 229917394 CVBUAWPIJKKUHS-OGWHTMIXSA-N 370.518 4.490 0 40 FIAB COC(=O)c1cc(NC(=O)CSCc2ccccc2F)ccc1Cl 222702690 ORHVWDDSOMFQJI-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB COC(C)(C)CCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1Cl 225646274 SDMJWIAQZLOJIW-IBGZPJMESA-N 369.889 4.288 0 40 FIAB O=C(NCC(O)(c1cccs1)c1cccs1)c1cccc(Cl)c1 77190056 SICYXTGVEFNZDJ-UHFFFAOYSA-N 363.891 4.129 0 40 FIAB COC(=O)c1c(N[C@@H](C)c2ccc(F)cc2)c2cccc(Cl)c2[nH]c1=O 49001609 IOFMRFKSBDLTNF-JTQLQIEISA-N 374.799 4.280 0 40 FIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1C 224284398 FYRMAUCAUWALGS-PMACEKPBSA-N 362.502 4.214 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)[nH]1 224390147 VRLDSBNZBUNBAL-MOPGFXCFSA-N 366.465 4.343 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N(C)Cc1nc2ccccc2n1C 600516415 AVGUASZBSCUUJB-FUHIMQAGSA-N 371.525 4.009 0 40 FIAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)s1 622314523 CINWGFPYQTZOPE-HNNXBMFYSA-N 353.447 4.113 0 40 FIAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)NCc1nccn1CC(C)C 660735289 PUJGNFDSNPSMAP-SFHVURJKSA-N 354.498 4.203 0 40 FIAB CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc2c(c1)CCCC(=O)N2 673403619 ADNWMLLNBHZEMM-FQEVSTJZSA-N 366.461 4.193 0 40 FIAB CCCCN(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 575421337 OOOZMIVCRTZYSK-HXUWFJFHSA-N 357.519 4.065 0 40 FIAB O=C(c1cnc(-c2ccccc2Cl)s1)N(C[C@@H]1CCOC1)C1CC1 50611758 MESQOIUKWVYSGY-LBPRGKRZSA-N 362.882 4.105 0 40 FIAB CCCOc1cc2c(cc1CN(C)Cc1cccc3ncccc13)OCO2 12191751 VRZGWBOWHSRXHJ-UHFFFAOYSA-N 364.445 4.384 0 40 FIAB Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2-c2ccoc2)on1 12252237 SELOYADBEJXRBC-UHFFFAOYSA-N 350.353 4.451 0 40 FIAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(N2CCCC2=O)cc1 16109864 NBXUAAFTOCRRCG-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB CCc1nc2sc([C@H](c3ccccc3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 16690094 KTKLQWDPJBNKQB-CPUCHLNUSA-N 370.522 4.126 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)c1nccnc1-c1nc2ccccc2s1 16779992 OFAMVUMDEHQCDV-ZDUSSCGKSA-N 372.453 4.345 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 18239028 YXXCIEOIMVNLQV-NRFANRHFSA-N 361.397 4.430 0 40 FIAB COc1ccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)cc1 19238724 GWXPUXJREPIFCY-UHFFFAOYSA-N 369.490 4.495 0 40 FIAB CCOc1ccc2[nH]c(C(=O)N(C)Cc3cccc4ncccc34)cc2c1 19519902 RJDYLBIARRCPND-UHFFFAOYSA-N 359.429 4.387 0 40 FIAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccccc1F 19575480 CQSZWLFBIYGAJC-LLVKDONJSA-N 365.330 4.013 0 40 FIAB C[C@@H](NC(=O)CCN1CCC(Cc2ccccc2)CC1)c1ccccc1 22197804 HBXOTBZHHICZSD-LJQANCHMSA-N 350.506 4.209 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2OC)cc1Cl 27397432 YKTZPAQCKUDJIN-UHFFFAOYSA-N 360.841 4.083 0 40 FIAB CCOc1ccc2[nH]c3c(c2c1)CN(Cc1cnc(SC)n1CC)CC3 36740664 FPMQSGFTRCGTTF-UHFFFAOYSA-N 370.522 4.063 0 40 FIAB CC(C)(C)P1COc2cccc(-c3c4c(cc5c3OCC5)CCO4)c21 1772768926 HVBRAPIYTGCMEN-UHFFFAOYSA-N 354.386 4.479 0 40 FIAB CC(C)c1nc(N2CC[C@H](CC(=O)O)C(F)(F)CC2)cc(C(C)(C)C)n1 1776383577 BOTWHNOHRUSUTG-CYBMUJFWSA-N 369.456 4.224 0 40 FIAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1c(F)cccc1Cl 4079036 NFIRPCIIHTUBRP-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB COc1ccc(C)c2sc(NC(=O)c3nc4ccccc4s3)nc12 4264303 FYFOUYGQNBHJMD-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB CCOCC(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12 4353822 JZKRYFKIFDNLRJ-UHFFFAOYSA-N 366.417 4.277 0 40 FIAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(C)C)CC2=O)c1 8657303 HGTRFDQIWCLDLV-MRXNPFEDSA-N 363.461 4.221 0 40 FIAB C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)/C=C/c1ccccc1 575620335 JSDMQIFLHMOQBY-RUMSDORHSA-N 357.500 4.423 0 40 FIAB CC(=O)Oc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1 4340364 MCCHWPVHVGWMJZ-UHFFFAOYSA-N 373.202 4.456 0 40 FIAB biogenic CCOC(=O)NCc1nc2ccccc2n1Cc1c(F)cccc1Cl 10381640 NNCQSHQUYVOKKA-UHFFFAOYSA-N 361.804 4.123 0 40 FIAB CCCc1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 30835922 VAVNQMSGIVJPCG-UHFFFAOYSA-N 369.486 4.150 0 40 FIAB Cc1ccc(-c2nc(CSc3nncn3Cc3ccco3)cs2)o1 30925012 RWMAXEVBIFSFRI-UHFFFAOYSA-N 358.448 4.237 0 40 FIAB O=C(NCc1cccc(N2CC=CC2)c1)Nc1ccccc1C(F)(F)F 101225380 CAMFAAGBMUONPP-UHFFFAOYSA-N 361.367 4.403 0 40 FIAB Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)c2ccccn2)o1 21524401 WVQLOLZLGJKQHO-UHFFFAOYSA-N 350.418 4.212 0 40 FIAB CC(C)(C)[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 32832753 NLSXXVGXKRSXGQ-GHTZIAJQSA-N 364.489 4.481 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)c1 710646 KVYSGXSYLOSIRS-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1 852739 SOAHTMYIJXBZAT-QGZVFWFLSA-N 358.825 4.250 0 40 FIAB Cc1ccc(-c2nc3ccccc3c(=O)n2-c2nc3ccccc3n2C)cc1 1245455 IZVJOTGHUYYISU-UHFFFAOYSA-N 366.424 4.248 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 3176533 XIUYGSYWVWAAHS-INIZCTEOSA-N 354.450 4.072 0 40 FIAB CC(=O)c1sc(NC(=O)COc2ccccc2)nc1-c1ccccc1 3226280 DCNOQMFIZOJFCC-UHFFFAOYSA-N 352.415 4.030 0 40 FIAB O[C@@H](CN[C@@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl 3401896 GQJNFXXFTZTBLZ-KBXCAEBGSA-N 366.288 4.400 0 40 FIAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cc2ccccc2oc1=O 4138263 LMHRXYKQMHQEPS-UHFFFAOYSA-N 372.424 4.083 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)[nH]c2c1 4406270 OSJOSXMCJNXSMV-LBPRGKRZSA-N 352.459 4.424 0 40 FIAB CCOc1cc(CNCc2cccs2)cc(Br)c1OC 4670838 VGSFOISURXGMJA-UHFFFAOYSA-N 356.285 4.208 0 40 FIAB COc1ccc2cc(C(=O)NCCOc3cccc4cccnc34)ccc2c1 4742990 NRNJFTGQLKQCOM-UHFFFAOYSA-N 372.424 4.205 0 40 FIAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)NC1CC1 5255759 WUTQEGBRFDKNRE-UHFFFAOYSA-N 361.517 4.237 0 40 FIAB CCCCCCOCCOC(=O)CCC(=O)OCCOCCCCCC 5418126 DSGIOCRYGRVGOW-UHFFFAOYSA-N 374.518 4.047 0 40 FIAB Cc1cc(NC(=O)c2ccccc2)c(C)cc1I 5538822 TYBNIFAXSGCWDG-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 5786185 UGRRCKODPCHHDC-MHGNPFJOSA-N 370.276 4.245 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1C 5804881 RLWSNIFKTLABCV-GJZGRUSLSA-N 359.495 4.235 0 40 FIAB O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 5894904 RVIMJJJCXFWBTF-NVNXTCNLSA-N 363.797 4.421 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 6056694 OQQXZWRKRSHDHI-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB O=C(/C=C/c1cccc(Cl)c1Cl)NCc1ccc2c(c1)OCO2 6084244 KXLDMCKMONTCAQ-FNORWQNLSA-N 350.201 4.052 0 40 FIAB COc1ccc(C(=O)CSc2nnc(C3CCCCC3)o2)cc1OC 6374005 RGXVFTSPSUBCRS-UHFFFAOYSA-N 362.451 4.110 0 40 FIAB O=C(Cc1c(F)cccc1Cl)OCC(=O)C12CC3CC(CC(C3)C1)C2 6602535 JJLVCHSOWTXHTP-UHFFFAOYSA-N 364.844 4.350 0 40 FIAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccccc2C)cc1 6630471 YYSDWGXWIMTJDA-UHFFFAOYSA-N 374.440 4.414 0 40 FIAB CC(C)(CO)NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 6883110 UGTNCMJVQIWZKU-UHFFFAOYSA-N 353.437 4.418 0 40 FIAB CCCNc1c(NC(=O)c2ccccc2OCC)c(=O)oc2ccccc12 6917525 HVNABQGTOUDBHE-UHFFFAOYSA-N 366.417 4.266 0 40 FIAB CCC1(CC)NC(=O)N(Cc2cc3ccc(C)c(C)c3nc2Cl)C1=O 7019380 IDICBNFXERZKIM-UHFFFAOYSA-N 359.857 4.116 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1 7624394 YBTKYRHPTZFHRJ-WMLDXEAASA-N 355.507 4.239 0 40 FIAB CCc1noc(C)c1C(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 7719159 KVIULKJRVVHLNC-UHFFFAOYSA-N 363.417 4.358 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)COc2cccc3ccccc23)c1 7892376 IIFWFYWRKDYUJT-HNNXBMFYSA-N 365.429 4.113 0 40 FIAB Cc1ccc(F)cc1NC(=O)[C@H](NC(=O)c1ccc(Cl)cc1)C(C)C 7989374 NPHZFIHTURIDGU-QGZVFWFLSA-N 362.832 4.181 0 40 FIAB O=C(c1cc(Cl)ccn1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 8038214 JBGZACVDRKQIKI-ZDUSSCGKSA-N 373.865 4.171 0 40 FIAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1C 8434170 XDGOWFKTDWVCOZ-RTBURBONSA-N 374.440 4.011 0 40 FIAB COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 8586829 KUGBTKNXOYGPOG-AWEZNQCLSA-N 358.507 4.484 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 8654700 DMNRIWVPDKWWCK-JTQLQIEISA-N 362.307 4.165 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C)n3)s2)cc1OC 8710886 UFVNWXPORLUPOJ-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB CCCCOC(=O)c1ccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 8844078 BADOQNBEQJKFDA-UHFFFAOYSA-N 363.417 4.137 0 40 FIAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NC1CCCC1 8853912 HWKXIFNRRIHGRT-UHFFFAOYSA-N 350.484 4.176 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 9140572 AGKGDCGEAUFPLW-UHFFFAOYSA-N 355.246 4.134 0 40 FIAB COC(=O)c1ccc(CNC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 9596363 AFFCTFFIDIEDEG-HNNXBMFYSA-N 362.429 4.187 0 40 FIAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccncc1 9659998 NJAYMMAKCYNTRD-UHFFFAOYSA-N 360.344 4.246 0 40 FIAB O=C(Cc1noc2ccccc12)N[C@@H](c1ccc(F)cc1)c1cccs1 10292344 IENWDMWMCYCUSU-FQEVSTJZSA-N 366.417 4.477 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10315013 UPPZNCXGBDPQQY-INIZCTEOSA-N 374.506 4.023 0 40 FIAB CC(=O)c1ccc(NC(=O)CN2CCC(CCc3ccccc3)CC2)cc1 11155011 DZHGOHAJAHBQJM-UHFFFAOYSA-N 364.489 4.173 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1CC 11694351 DGVMKDAQEWAUDH-UHFFFAOYSA-N 353.397 4.225 0 40 FIAB C[C@H](NC(=O)Cn1ccc2ccnc(-c3cccs3)c21)c1ccncc1 12134298 FVQOMYOEHCLPDZ-AWEZNQCLSA-N 362.458 4.037 0 40 FIAB CC[C@@H](NC(=O)c1nn2c(C)cc(C)nc2c1Cl)c1ccc(F)cc1 12199826 VFIRDEYCOQSESK-CQSZACIVSA-N 360.820 4.020 0 40 FIAB Cc1[nH]c2cc(C(=O)N3CCC(COc4ccccn4)CC3)ccc2c1C 12325808 LPTYXJGLHRBMNI-UHFFFAOYSA-N 363.461 4.111 0 40 FIAB COc1ccc(N[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1Cl 12763577 GFINSWPZUGKEIC-SECBINFHSA-N 363.870 4.437 0 40 FIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 12916607 BZYSVNBLTKGNHJ-LBPRGKRZSA-N 351.324 4.314 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccc(F)cc1F 12926621 ARLSGJXBVWSTQP-LLVKDONJSA-N 358.392 4.090 0 40 FIAB CC1CCN([C@@H](CNC(=O)NCc2ccccc2)c2cccs2)CC1 13012134 LYAONHUQWBXRRN-SFHVURJKSA-N 357.523 4.021 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(F)cc3)C(C)C)cc2c1 13479884 WQVNOTUXMAZTKH-UHFFFAOYSA-N 352.409 4.026 0 40 FIAB O=C(Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1)c1ccco1 13611097 GEJCMMNSIRGGGF-UHFFFAOYSA-N 370.368 4.228 0 40 FIAB Cc1nn2c(nc(Sc3nnc(C4CC4)o3)c3ccccc32)c1Cl 14198504 QCFBOXKTLGICLX-UHFFFAOYSA-N 357.826 4.256 0 40 FIAB Nc1c(Cl)cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1Cl 14242316 SPWQHIVARCYZQF-UHFFFAOYSA-N 369.632 4.169 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 15422284 XGBHUSPMRZXVPB-UHFFFAOYSA-N 369.852 4.004 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 17075689 NKPQYOMPRFCEBH-UHFFFAOYSA-N 369.273 4.443 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 17916090 DTXYMRYBDCJQPW-RYUDHWBXSA-N 366.230 4.233 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20143805 ZBPYUHPFPUQPSQ-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 20490631 JAJAVSPLBOMOIZ-LLVKDONJSA-N 374.289 4.183 0 40 FIAB Clc1ccc(-c2nnc(CSc3nc(C4CCCC4)n[nH]3)o2)cc1 22379866 KFVWMZCNIPRXBM-UHFFFAOYSA-N 361.858 4.458 0 40 FIAB COc1cc(NC(=O)[C@H](C)Sc2ccccc2)c(OC)cc1Cl 23996015 LESBNXLPNIWZCJ-NSHDSACASA-N 351.855 4.477 0 40 FIAB CCCCN(CC)C(=O)c1cc(C2CC2)nc2c1nc1n2CCCCC1 24974408 OFZUJBCOMJSNAA-UHFFFAOYSA-N 354.498 4.297 0 40 FIAB CC(C)COc1ccc(-c2nn(CO)c(=S)n2-c2ccccc2)cc1 27517391 VUEUNEZUEQYWPV-UHFFFAOYSA-N 355.463 4.055 0 40 FIAB CN(C)[C@H](CNC(=O)CCn1ccc2ccccc21)c1ccccc1Cl 32747991 DOBHCOSDYSEDBZ-HXUWFJFHSA-N 369.896 4.104 0 40 FIAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 32843950 SUYYUPBKIBOSLR-UHFFFAOYSA-N 366.442 4.086 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)[C@H]2CC=CCC2)n1 32848539 UPHFDNRTQGPZGL-LBPRGKRZSA-N 359.426 4.202 0 40 FIAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(F)cc1Cl 32930583 LYFAEDIDLDFEDW-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB O=[S@@](CCSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 32931597 QJIYTGOLROKRFC-RUZDIDTESA-N 369.515 4.045 0 40 FIAB Cn1ccnc1COc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1 40119396 DJQQPQATNQIPQS-UHFFFAOYSA-N 370.478 4.005 0 40 FIAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2F)N1Cc1cccnc1 40485894 DYPRIBOUSAXYJA-FQEVSTJZSA-N 360.388 4.274 0 40 FIAB COc1c(S(=O)(=O)N2CCCc3ccccc32)ccc(Cl)c1Cl 41095854 XGMSVYCMRLMEKJ-UHFFFAOYSA-N 372.273 4.144 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1 43733669 MJLWDOBPAMSNOZ-NSHDSACASA-N 357.759 4.443 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NC1CCCCCCC1 44142476 LOHHGPZCZVZOAU-UHFFFAOYSA-N 357.498 4.465 0 40 FIAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NCC1CCC1 47053329 ZJUNHKSVOLUSTJ-MRXNPFEDSA-N 365.477 4.441 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)Nc2ccccc2-n2cccn2)c1 48152276 JZUIUSJPFXWMKK-IBGZPJMESA-N 362.433 4.250 0 40 FIAB Cc1ccc([C@@H](C)N(C)Cc2nc(COc3ccc(F)cc3)no2)s1 48302896 NWGMPBNMVVLXNV-CYBMUJFWSA-N 361.442 4.351 0 40 FIAB O=C(C=C(C1CC1)C1CC1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 55298627 QEZFUBXEQJYFJH-UHFFFAOYSA-N 359.491 4.088 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N(C)CCCOc2ccc(Cl)cc2)c1C 55851775 GKUGCQMJIOAZFL-UHFFFAOYSA-N 362.857 4.029 0 40 FIAB COc1ccc(CN2C(=O)C3=C(CCCC3)[C@H]2NCc2ccccc2)cc1 57153992 BESXKYMMPOZABU-QFIPXVFZSA-N 362.473 4.024 0 40 FIAB Cc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1N 57340514 HSKDJAQKPSILDT-UHFFFAOYSA-N 363.255 4.136 0 40 FIAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(F)c(F)c4)no3)o2)cc1F 57524226 YUHVKQPFYMIQPK-UHFFFAOYSA-N 372.306 4.103 0 40 FIAB COc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)ccc1NC(C)=O 58356875 RLDQSMMVRUIYTC-GJZGRUSLSA-N 358.825 4.049 0 40 FIAB O=C(OCC(=O)N1CCCCCC1)c1ccc(-c2ccc(F)cc2)s1 60596281 DXUYXKYIMWYDHE-UHFFFAOYSA-N 361.438 4.114 0 40 FIAB O=C(Cn1ccc2cc(Br)ccc21)Nc1c(F)cccc1F 71279874 COHIKZUDYPHWQZ-UHFFFAOYSA-N 365.177 4.321 0 40 FIAB O=C(O)c1ccccc1C(=O)c1ccc(NCC2CCCCC2)cc1O 71618419 MRYDXJOKANTBOB-UHFFFAOYSA-N 353.418 4.314 0 40 FIAB CNc1c(C(=O)O)cccc1C(=O)OCC1c2ccccc2-c2ccccc21 71791578 UOUNTHPJHFPZIA-UHFFFAOYSA-N 373.408 4.396 0 40 FIAB CCc1n[nH]c(NC(=O)c2cccc(C(F)(F)F)c2)c1Br 72309937 PVMGIIUFMJOTNH-UHFFFAOYSA-N 362.149 4.006 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 72353825 GPJQVKFXXBEQLU-IBGZPJMESA-N 354.469 4.482 0 40 FIAB COc1ccc(CCNc2ncc(-c3ccncc3)c(-c3ccco3)n2)cc1 72396549 ZAUHPDHDKJNGAP-UHFFFAOYSA-N 372.428 4.462 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)[C@H]1C[C@H]1c1ccco1 84017165 XWSKKPPINKKQHT-CABCVRRESA-N 356.809 4.274 0 40 FIAB O=C(Cn1ccc2ccc(Cl)cc21)N(Cc1ccco1)C[C@H]1CCCO1 84432556 XPBLHPIXIHUGNW-GOSISDBHSA-N 372.852 4.096 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@H](CNc2cccc(Br)c2)C1 89223535 WHNOXBVDCCNPLO-GFCCVEGCSA-N 355.276 4.118 0 40 FIAB CN(C)c1cc(C(=O)Nc2ccc(OC(F)F)cc2)c2ccccc2n1 95468776 MEDPQTJBJTWSNV-UHFFFAOYSA-N 357.360 4.155 0 40 FIAB COc1ccc2cc(NC(=O)c3ccc4nc(C)c(C)nc4c3)cnc2c1 95473052 KZCYQOXLONSUHI-UHFFFAOYSA-N 358.401 4.056 0 40 FIAB CC(C)(C)[C@@H]1C[C@@H](NC(=O)[C@@H](OC2CCCC2)c2ccccc2)CCO1 108147012 ZPYOIUQSVRMCCP-IHPCNDPISA-N 359.510 4.397 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccccc1 113935547 FHARYNRGJIBIBU-GFCCVEGCSA-N 374.289 4.432 0 40 FIAB O=C(C[C@@H]1OCCc2ccccc21)NCCc1c[nH]c2cc(Cl)ccc12 115349638 ASDRELHHOYOGJC-FQEVSTJZSA-N 368.864 4.184 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1 216721573 FUKVNDPGZXEBIE-UHFFFAOYSA-N 351.402 4.356 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1OCC 219064761 AAHUJVGMOJOLSW-KRWDZBQOSA-N 371.477 4.185 0 40 FIAB O=C(Cc1noc2ccccc12)N1CCS[C@H](c2cccs2)CC1 219466409 SLYSYPURHHNMAV-KRWDZBQOSA-N 358.488 4.139 0 40 FIAB COc1ccc(CCC(=O)NCCSCc2ccccc2F)cc1C 222886857 ASXQUXZCHIGYHD-UHFFFAOYSA-N 361.482 4.125 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 222983812 RYBHBANSWAOXOB-FQEVSTJZSA-N 368.477 4.238 0 40 FIAB O=C(NCc1cccnc1-c1ccsc1)c1nc2ccccc2s1 225644975 LSUSQCKLGYPZBF-UHFFFAOYSA-N 351.456 4.350 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225821819 XVSZGIKPPJYRNN-HXUWFJFHSA-N 365.470 4.184 0 40 FIAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 225903708 XHONWOHCSGNDDD-GOSISDBHSA-N 374.887 4.350 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(OC)cc2OC)cc(Cl)c1OC 408555590 HINJJXQMEPMFRP-UHFFFAOYSA-N 365.813 4.017 0 40 FIAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 408703749 YARYSASLXLJCCF-OAHLLOKOSA-N 361.869 4.092 0 40 FIAB COc1ccccc1/C=C1\S[C](Nc2ccc(Cl)cc2C)NC1=O 408815306 PZSINKWXLCJISG-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB COc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(C)cc2)C1=O 409240061 OEILKCWJOFRFOR-MOSHPQCFSA-N 372.424 4.250 0 40 FIAB COc1ccc2cc(CN(C)Cc3cnc4c(c3)c(C)nn4C)ccc2c1 535071405 ZXGKZYRRVVWBCV-UHFFFAOYSA-N 360.461 4.071 0 40 FIAB Cc1ccc2c(C(=O)N3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@H]3C)csc2c1 553899732 HLKUTQMWPXEYOI-GASCZTMLSA-N 372.534 4.317 0 40 FIAB O=S(=O)(NCc1ccc(-c2ccsc2)o1)c1ccccc1Cl 575609778 GTQROKHXOBANPG-UHFFFAOYSA-N 353.852 4.140 0 40 FIAB COc1ccc2oc(CN3CC[C@](CO)(Cc4ccc(F)cc4)C3)cc2c1 585084675 OJKJVLYRDFOIJA-QFIPXVFZSA-N 369.436 4.008 0 40 FIAB Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 661494526 AGOYKHUKFFLSAC-QRFRQXIXSA-N 362.489 4.056 0 40 FIAB O=C(NC[C@@H]1CCC[C@H]2C[C@@H]21)N(CCc1ccccc1)Cc1ccncc1 666510913 SYGIUOVPJJZMHY-FKBYEOEOSA-N 363.505 4.272 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 888201 IXDYZGNIIFZBGV-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2c1Cl 1065650 INIHTNOTFHUJIU-UHFFFAOYSA-N 369.730 4.164 0 40 FIAB Cc1sc2ncn3c(SCC(=O)c4ccc(F)cc4)nnc3c2c1C 1379177 ODMKHVGGVWOXGF-UHFFFAOYSA-N 372.450 4.070 0 40 FIAB CC[C@H]([C@@H](O)c1ccc(Cl)cc1)C(O)(C(F)(F)F)C(F)(F)F 1623593 ZHRDRMDRIBLBEU-ZJUUUORDSA-N 350.686 4.255 0 40 FIAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)cc1 2053674 LHQHBNJJCLSSSC-UHFFFAOYSA-N 371.487 4.212 0 40 FIAB aggregator CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 2617445 DWSMDLJQZSNKCO-OAHLLOKOSA-N 354.450 4.062 0 40 FIAB COc1cccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)c1 2723711 LXHSARHLSQMUFZ-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB C[C@@H](Nc1ccccc1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 3413877 UOSAEFPTKFBBHW-MRXNPFEDSA-N 374.440 4.445 0 40 FIAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 3544092 MYKPQHJUCAGESY-LLVKDONJSA-N 369.339 4.037 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCc1cn2cc(Cl)ccc2n1 4274872 ZLWNKTOPOJWPNG-UHFFFAOYSA-N 367.792 4.308 0 40 FIAB O=C(/C=C/c1ccco1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1 4315836 RTVUZKJVKQCDPX-BQYQJAHWSA-N 373.865 4.245 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)C1CC1 4353807 GTUCSYOKMDFKKV-UHFFFAOYSA-N 356.328 4.312 0 40 FIAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)cc1 4450107 XPLZEDKITOZZBY-UHFFFAOYSA-N 360.335 4.333 0 40 FIAB CCCOc1ccc(NC(=O)CCC(=O)NCCC2=CCCCC2)cc1 4670506 PFRUGUFTYQXTCL-UHFFFAOYSA-N 358.482 4.201 0 40 FIAB O=C(c1ccccc1)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 5156127 OLECALLWPJYOSZ-ONTIZHBOSA-N 353.437 4.334 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2ccccc2Cl)c1=O 5269839 PQLNDBDLBDLXAL-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(Cl)cc1 5634051 DMTOBNOJJKLNPK-PXNMLYILSA-N 373.817 4.305 0 40 FIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Br)cc1 6343374 IYRFELFNJKMFRX-LLVKDONJSA-N 368.658 4.359 0 40 FIAB O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1ccncc1 6978057 VFFWPTVLIBGBKU-HXUWFJFHSA-N 352.821 4.020 0 40 FIAB Cc1ccc(N2C(=O)N(Cc3ncc(-c4ccccc4)o3)C(=O)[C@@H]2C)cc1 7313691 VINKIQWIFQYQQN-HNNXBMFYSA-N 361.401 4.007 0 40 FIAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 7546221 UWIONZDQQKLGDV-UHGSBFOLSA-N 352.522 4.201 0 40 FIAB Fc1ccccc1NC(=S)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7620958 VHFZXBCJUBLCLE-INIZCTEOSA-N 358.438 4.131 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@H]3CCOc4ccccc43)cs2)cc1 7808501 BHQKYQSAGYAXSL-INIZCTEOSA-N 366.442 4.072 0 40 FIAB CCCNc1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)s1 7873422 VIHSRWOPUMQKAQ-GFCCVEGCSA-N 350.513 4.096 0 40 FIAB Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1 7990682 JRHCUIMRBRQNSB-FUHWJXTLSA-N 366.461 4.493 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1sc(-c2ccccn2)nc1C 8007713 UFNMQOQAORTQRJ-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccccc1 8403575 RUEIIEDTBYDJIL-UHFFFAOYSA-N 368.483 4.245 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 8654701 DMNRIWVPDKWWCK-SNVBAGLBSA-N 362.307 4.165 0 40 FIAB O=S(=O)(c1ccc(Cl)s1)N(Cc1ccco1)Cc1cccs1 9336526 IAAXYVQCQXATFY-UHFFFAOYSA-N 373.908 4.447 0 40 FIAB COc1ccc([C@@H](NC(=O)N(C)Cc2cccc(OC)c2)C(C)C)cc1 9867599 FSHLTXPGWTWAGS-FQEVSTJZSA-N 356.466 4.243 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N2CC=C(c3ccccc3)CC2)cc1 10224884 NJRJMOJICHCITN-UHFFFAOYSA-N 366.486 4.053 0 40 FIAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)c1 10543904 LQXAJYSDCMUOTG-ZDUSSCGKSA-N 368.296 4.105 0 40 FIAB O=c1c2cc(Cl)ccc2ncn1Cc1ncc(-c2ccc(Cl)cc2)o1 11182936 LCXLBLMODMRIFD-UHFFFAOYSA-N 372.211 4.407 0 40 FIAB CN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 12539653 XJEPOMLYZOLXLY-ZDUSSCGKSA-N 374.271 4.337 0 40 FIAB O=C(c1ccccc1Br)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12602442 IYADMXPXCUYLFG-MRXNPFEDSA-N 370.250 4.303 0 40 FIAB CC[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(OC)cc1 12889458 BNMTWQQCHGDZAE-INIZCTEOSA-N 370.474 4.089 0 40 FIAB COc1ccc(CCNC(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)cc1 12940512 LETOAUDYCOIPEE-LBPRGKRZSA-N 368.260 4.128 0 40 FIAB COc1ccc(CCN2CCOc3nc4c(C)c(C)ccc4cc3C2)cc1 13563786 FRMJPZTUOFOJIQ-UHFFFAOYSA-N 362.473 4.297 0 40 FIAB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13814604 UPRSALKFRDLZEC-UHFFFAOYSA-N 368.864 4.480 0 40 FIAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)c1ccc(F)c(F)c1 14675410 OEXBLWWTALLGNQ-STRFDMGBSA-N 367.351 4.341 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 15008477 VGBKZNXOXOJGEP-VCHYOVAHSA-N 369.442 4.249 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1 15176350 VRXFJAKCZQWDMX-UHFFFAOYSA-N 370.836 4.068 0 40 FIAB COc1ccccc1[C@@H]1SCC(=O)N1c1cccc(C(F)(F)F)c1 17197981 BWRPCFLVVNBITI-INIZCTEOSA-N 353.365 4.493 0 40 FIAB Cc1cc(NC(=O)c2c(-c3ccccc3)noc2C)n(-c2ccccc2)n1 18193377 KGXREFQGLFOJSG-UHFFFAOYSA-N 358.401 4.396 0 40 FIAB C[C@H](CN(C)Cc1c(C2CCNCC2)[nH]c2ncccc12)c1ccccc1 19455967 PHSLQTAGDDKCRO-QGZVFWFLSA-N 362.521 4.265 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl 20456234 NXXZMSNETXJPSS-KRWDZBQOSA-N 374.868 4.276 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc1 20498495 WGWSSTUYXXKUIT-HNNXBMFYSA-N 366.486 4.456 0 40 FIAB CN(Cc1ccsc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 24960632 IKLAGYAPGIEXLK-QGZVFWFLSA-N 350.487 4.349 0 40 FIAB CC[C@@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(C)cc1 25320433 OYVSSWJUBYTOFT-HXUWFJFHSA-N 350.462 4.393 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cn1 27974671 LWZZBLXNQJVQLV-GFCCVEGCSA-N 371.234 4.403 0 40 FIAB O=C(Nc1ccncc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 28898508 JYMZXIRRZIRPCC-UHFFFAOYSA-N 372.350 4.416 0 40 FIAB O=C1CCCCC[C@@H]1Sc1nnc(COc2ccccc2Cl)o1 29251676 ZLHNXVNICMCFRN-AWEZNQCLSA-N 352.843 4.296 0 40 FIAB O=C(CCc1ccccc1Cl)NCc1ccccc1CN1CCCC1 30556298 XQOFVYFQNZIKJB-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccc2)C=C1C 30882379 GHHRBUZDFCHYTF-UFYCRDLUSA-N 357.494 4.224 0 40 FIAB biogenic,in-vitro Cc1cc(CN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)no1 31658264 MELFUFUCMMRCHQ-UHFFFAOYSA-N 363.776 4.011 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C 32586231 PVEPMMKJIAWTGT-UHFFFAOYSA-N 359.369 4.213 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@H]4C)o3)cc2NC1=O 32970132 BZVQTBXEKRWMNG-TYNCELHUSA-N 370.474 4.108 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1Cl 36635783 YFLSECCLYHQSDQ-ZDUSSCGKSA-N 369.635 4.391 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCCCCC2)cc1 38849359 QRUPMEKRTBGREU-UHFFFAOYSA-N 352.434 4.044 0 40 FIAB CC(C)(C)c1nnc(SCc2noc(-c3ccc(Cl)cc3)n2)o1 42569590 VAJCBOUUAVQBKP-UHFFFAOYSA-N 350.831 4.363 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC(Cc2ccccc2)CC1 44900114 WUAQNQKZGRAOIX-JOCHJYFZSA-N 367.489 4.334 0 40 FIAB O=C(Cc1ccc2c(c1)CCC2)Nc1cc(F)c(N2CCCC2)c(F)c1 58407478 CUQJKUGIXDQYRS-UHFFFAOYSA-N 356.416 4.235 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 58421701 DMZOSBFZVQCUEW-LLVKDONJSA-N 374.491 4.268 0 40 FIAB Cc1cccc(OCCCNC(=O)N(C)Cc2c(F)cccc2Cl)c1 58714982 KCDVOIQDLFVVAA-UHFFFAOYSA-N 364.848 4.398 0 40 FIAB Cc1sc2ncnc(SCCC(=O)Nc3cccc(O)c3)c2c1C 61719018 UWJCTCBWHXAXOB-UHFFFAOYSA-N 359.476 4.135 0 40 FIAB CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1)c1cc(C)cc(C)c1 62582603 JDLDWMKSQAOUOX-OAQYLSRUSA-N 352.478 4.232 0 40 FIAB Cc1cn2c(/C=C/C(=O)O[C@@H](C)c3nc4ccccc4[nH]3)c(C)nc2s1 64358801 NFWUXKINKYSKMC-XEHSLEBBSA-N 366.446 4.207 0 40 FIAB CC(C)c1cccc(NC(=O)c2sccc2NC(=O)c2cnccn2)c1 67335929 MBDQMMMRRKWFGL-UHFFFAOYSA-N 366.446 4.166 0 40 FIAB Cc1cccc(C(=O)OC[C@@H]2CCCCO2)c1NC(=O)c1ccccc1F 67634261 BCDSSIOSDFJNKM-HNNXBMFYSA-N 371.408 4.112 0 40 FIAB O=C(NCc1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165924 KUNLNWPSSVPXDX-RTBURBONSA-N 367.449 4.046 0 40 FIAB COc1cccc(C[C@@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1 83862087 RRYRSWUMOMLAJU-IBGZPJMESA-N 352.434 4.137 0 40 FIAB Fc1ccccc1CN1CCC[C@]2(C[C@@H](OCc3ccccc3)CO2)C1 96073568 CTDOCRYLOQQYHN-IRLDBZIGSA-N 355.453 4.166 0 40 FIAB CCc1ccc(CN2CCC3(CC2)C[C@H](N(C)Cc2ccccc2)CO3)o1 96220971 QBITWFANMYAVNL-FQEVSTJZSA-N 368.521 4.098 0 40 FIAB CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 101113408 OKSBTXFKAFWJRO-JLHFOLKXSA-N 358.532 4.155 0 40 FIAB CC(C)/N=c1\ccccn1C(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 102102050 GYYSQXWLMDELTM-XLYJWPIUSA-N 359.267 4.004 0 40 FIAB CCc1cc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)n(C)n1 116509112 YHBWBKSONQTFAG-UHFFFAOYSA-N 369.494 4.004 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1cccc2ccccc12 219044395 GEMOKLLTWOYPEH-ROUUACIJSA-N 363.457 4.499 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1 219530275 HYYXCAYUJHXDMY-SJLPKXTDSA-N 353.462 4.489 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C(=O)OC)ccc1C 222951805 GZXZUBJANIJUJE-GOSISDBHSA-N 355.434 4.195 0 40 FIAB O=C(CSc1ccc(Cl)cc1)NCCOc1ccccc1Cl 223389133 ZUUOLUVVSIZVMV-UHFFFAOYSA-N 356.274 4.281 0 40 FIAB COc1cccc(OCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 223391389 MVWJREGKRLBXKB-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 224305601 YUJWUXCAMCMRSM-CQSZACIVSA-N 353.447 4.228 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCC2CCCCC2)cc1 225206614 FODJSZNXCCUGPY-ZHZULCJRSA-N 366.461 4.055 0 40 FIAB COC(=O)c1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 226317614 VCCRCWVMNBQXFS-UHFFFAOYSA-N 362.179 4.053 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3C[C@H](C)C[C@@H](C)C3)c(C)cc2N)c1 226331546 TZTFSJYFWRKSGB-HUUCEWRRSA-N 367.493 4.320 0 40 FIAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCC(C)C)=N1 408989426 KRVROVOWIKHFDC-CQSZACIVSA-N 372.321 4.142 0 40 FIAB O[C@@H](CNCc1ccc(OCc2cccc(F)c2)cc1)c1ccc(F)cc1 521402305 IODPBBSHKUBOCI-QFIPXVFZSA-N 369.411 4.367 0 40 FIAB Cc1ccccc1-c1nnc(C)n1-c1ccc(OC[C@H]2CCCOC2)cc1 532881452 BOQJJJNOUIQUJM-SFHVURJKSA-N 363.461 4.357 0 40 FIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)/C=C/c2cc(F)ccc2F)C1 575617908 SJUBTPHGKHICMH-RCMYXZNBSA-N 367.399 4.110 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cc1 585148268 VEUPWWYOSJRAQY-HNNXBMFYSA-N 373.499 4.339 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1sc([C@H]2CCOC2)nc1C 630433212 NFLAMXCUGSRPKC-NSHDSACASA-N 366.870 4.178 0 40 FIAB C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc21 1529238434 BBABFFKOVNUVSO-IUODEOHRSA-N 372.262 4.466 0 40 FIAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cc2ccc(C)cc2nc1Cl 644932 LOBDCTATYQZJON-KRWDZBQOSA-N 353.809 4.487 0 40 FIAB O=C(c1ccco1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 1248967 NQSRGPCXQMXSHW-FQEVSTJZSA-N 368.396 4.214 0 40 FIAB CCC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1359446 GDZJFCIJJJMLKZ-UHFFFAOYSA-N 354.475 4.145 0 40 FIAB O=C1C[C@@H](c2ccccc2C(F)(F)F)c2c(c3ccccc3oc2=O)O1 1426877 QVRXTCYPXTWOSY-LBPRGKRZSA-N 360.287 4.253 0 40 FIAB CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 1509801 DPTHIHGSQLZNDU-IBGZPJMESA-N 361.470 4.384 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C(F)(F)F)cc1)C3 2112782 ZALQGCGSRVUZLB-UHFFFAOYSA-N 361.319 4.477 0 40 FIAB biogenic COc1ccc(-n2ccnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2723173 YFJJONLRJKLQOY-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB Cc1ccc(-c2nn(-c3cccc(C(=O)O)c3)c(=O)c3ccccc23)cc1 2742439 ONUZSPNBONYIRZ-UHFFFAOYSA-N 356.381 4.059 0 40 FIAB CC(C)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 3324309 SFSGPMOJUXDWLW-KRWDZBQOSA-N 368.477 4.083 0 40 FIAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1cccc(F)c1 3606507 MUGMIOWDTKMWQS-UHFFFAOYSA-N 364.376 4.096 0 40 FIAB Cc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2n1 4221289 IRQFUDRJSJZMAR-GOSISDBHSA-N 363.486 4.224 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 4846827 XPZSGEUCCDXKID-HOTGVXAUSA-N 369.436 4.225 0 40 FIAB COc1ccccc1-n1ccnc(SCc2cc(C)ccc2C)c1=O 4853151 XXTYIXHBTOGYJW-UHFFFAOYSA-N 352.459 4.150 0 40 FIAB Cc1ccc2c3c(c(SCC(=O)NCc4ccco4)nc2c1)CCCC3 4859071 TWSXJIHZTQEEFL-UHFFFAOYSA-N 366.486 4.424 0 40 FIAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)NC1CCCCCCC1 5017735 YWTKUSGEPWALQZ-UHFFFAOYSA-N 370.493 4.263 0 40 FIAB CCc1nnc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)s1 5034786 UJQPZAZCUUBVCK-UHFFFAOYSA-N 350.403 4.161 0 40 FIAB CCN(CC)C(=O)[C@@H](C(C)=O)C1c2ccccc2Sc2ccccc21 5060833 SWGCOQUUDDWWHA-IBGZPJMESA-N 353.487 4.357 0 40 FIAB CCCC(=O)N(Cc1ccccn1)c1nc2c(OC)ccc(C)c2s1 5265387 NYRDPWIEMXUBCM-UHFFFAOYSA-N 355.463 4.342 0 40 FIAB Cn1cc(NC(=O)N2CCN(c3ccccc3Cl)CC2)c2ccccc21 5265600 OIQJYPVUDRUXBG-UHFFFAOYSA-N 368.868 4.186 0 40 FIAB CCN(C(=O)c1cccn(Cc2cc(C)ccc2C)c1=O)c1ccccc1 5270130 OLIVJLVQVASPAX-UHFFFAOYSA-N 360.457 4.180 0 40 FIAB COc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)nc1 5322973 IKHSAQOVWSHWQA-UHFFFAOYSA-N 369.852 4.007 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 6306679 GOYZCMVWIKCJDA-UHFFFAOYSA-N 351.233 4.384 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 6614246 JCJGQDOOCJQMLD-UHFFFAOYSA-N 353.491 4.112 0 40 FIAB CSc1ncc(Cl)c(C(=O)Nc2nc3ccc(Cl)cc3s2)n1 6810473 JJVBZJKGWWKWNT-UHFFFAOYSA-N 371.274 4.367 0 40 FIAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 7201030 TZMUQBOWJOANMF-OAHLLOKOSA-N 363.413 4.457 0 40 FIAB O=C(O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 7343550 PRVDUDRXMKXLPB-UHFFFAOYSA-N 357.369 4.180 0 40 FIAB COc1ccc(-c2noc(COC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1 8449718 KSTFKACYNBBSFJ-NYYWCZLTSA-N 370.792 4.155 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1cccc(C)c1 8479405 JRUOJJXGVKWJHQ-SFHVURJKSA-N 361.482 4.341 0 40 FIAB COCc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 8496102 LLIQNFZGLPGRKS-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB O=C(COc1ccccc1)NC[C@H](c1ccc(Cl)cc1)N1CCCCC1 8654825 OCQKNFRKSZKYEO-HXUWFJFHSA-N 372.896 4.062 0 40 FIAB O=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 8682617 VPWJVPJKURCGOU-UHFFFAOYSA-N 360.438 4.437 0 40 FIAB CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3c(F)cccc3F)ccc12 8709397 UVGNWUHCLATWIQ-UHFFFAOYSA-N 373.355 4.212 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3)ccc21 9164732 ZWDNTWGQKHDOFX-UHFFFAOYSA-N 354.425 4.403 0 40 FIAB Fc1ccc(-n2c(SCCN3CCCC3)nnc2-c2ccccc2)cc1 9378776 TXRCSZRSSNAEBP-UHFFFAOYSA-N 368.481 4.261 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2ccccc2s1 11083762 RCSFKJPBSBDZEN-UHFFFAOYSA-N 361.470 4.418 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1cccc2c1CCC2=O 11100753 RPITVEIDQZXGEQ-LBPRGKRZSA-N 373.836 4.192 0 40 FIAB Cc1cc(C)n(-c2cc(Oc3ccc(Br)cc3)nc(C)n2)n1 12389337 ZVCHEBMKIQCYAB-UHFFFAOYSA-N 359.227 4.142 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)cc1OC 12993565 ABNJYYNTJHPSRO-JKNJVXJCSA-N 357.475 4.315 0 40 FIAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 13847422 DYHHJZCPERYMIA-UHFFFAOYSA-N 354.475 4.287 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1C 14099978 TXOAPZCEBASNLX-UHFFFAOYSA-N 368.502 4.353 0 40 FIAB O=C(COc1ccccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 14171571 XZXOVYAZMFOPKR-CQSZACIVSA-N 370.449 4.220 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1 18703399 YYDRDWLUVFZEIC-LLVKDONJSA-N 359.838 4.265 0 40 FIAB Cc1ccc(C2(C(=O)NCc3nnc(-c4cccs4)o3)CCCC2)cc1 19208497 GZBCCQJZMOVOGM-UHFFFAOYSA-N 367.474 4.235 0 40 FIAB O=C(COc1ccccc1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22527331 OEZNUGQAUXXACC-VYFUWZELSA-N 369.464 4.479 0 40 FIAB O=C(O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)C(F)F 25184227 UCRPCXMYJKKEKK-UHFFFAOYSA-N 371.315 4.051 0 40 FIAB Cc1cccc(Cn2nc(C)c(NC(=O)Cc3ccc(F)cc3)c2C)c1 28247180 PCZFGONCIDYENL-UHFFFAOYSA-N 351.425 4.177 0 40 FIAB Cc1cc(C)cc(OCC(=O)N[C@H](C)COc2ccc(C(C)C)cc2)c1 28290923 FWZGSOUSUGWZLS-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(C2SCCS2)cc1 29328952 RISLEOXDIZNDBP-UHFFFAOYSA-N 369.515 4.314 0 40 FIAB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 31300633 NLKMQEIDJJZGLS-OAHLLOKOSA-N 366.490 4.058 0 40 FIAB Cc1cc(C)c(/C=C/C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1C 31710185 XXMRYEOMVHZFBX-DHZHZOJOSA-N 362.473 4.068 0 40 FIAB CCc1c(C)sc2nc(N3CCCCC3)n3nc(-c4ccco4)nc3c12 32073830 BZZLELBIRYZLGH-UHFFFAOYSA-N 367.478 4.460 0 40 FIAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CCC(C)C)cnc4c3cc2CO1 32105263 HIQAVVDWNGATDP-FQEVSTJZSA-N 371.506 4.294 0 40 FIAB COC(=O)c1sccc1NC(=O)c1sc(-c2ccc(C)o2)nc1C 33159793 RKMRNHQTMNXIIG-UHFFFAOYSA-N 362.432 4.120 0 40 FIAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)NC1CCCCC1 36705375 LFANOEWDXAKJTI-UHFFFAOYSA-N 351.406 4.499 0 40 FIAB Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1ccc(Cl)cc1 38487043 ATHDXXGIIZLKDP-UHFFFAOYSA-N 371.828 4.433 0 40 FIAB COc1ccccc1CC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 40107904 PHLNDVKPPNRILJ-QGZVFWFLSA-N 352.478 4.108 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc3ccccc3nc2Cl)C1 40434721 PVPPGFGNTNGHGO-LBPRGKRZSA-N 362.861 4.095 0 40 FIAB O=C(Nc1ccc(Cl)cn1)C1(c2ccc(Br)cc2)CC1 41905128 YUHABIFBXTWHIY-UHFFFAOYSA-N 351.631 4.168 0 40 FIAB CC(C)OCCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 44884146 DPZXQHDTLVXZNN-UHFFFAOYSA-N 350.311 4.158 0 40 FIAB CCc1nc(-n2cccc2)sc1C(=O)N[C@@H](C)CCc1ccccc1 49006256 KBMPTRNJHIHIMS-HNNXBMFYSA-N 353.491 4.247 0 40 FIAB Cc1ccc2c(NC(=S)NC(=O)c3cc4ccccc4o3)cccc2n1 59294052 XHHIEPFKLKJCLT-UHFFFAOYSA-N 361.426 4.416 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)Nc2nnc(C3CC3)s2)c1 69453837 LVTCDIFENRSDFU-UHFFFAOYSA-N 359.455 4.044 0 40 FIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 72414157 PUDLHSHVQRATBL-UHFFFAOYSA-N 353.871 4.447 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCCC3(C)C)c12 77352917 LXJPNSCKGXZBCB-UHFFFAOYSA-N 354.498 4.387 0 40 FIAB Cc1ccc2sc(CCNC(=O)[C@H]3C[C@@H]3c3c(F)cccc3F)nc2c1 79053760 QCKGXZANHLUZKH-STQMWFEESA-N 372.440 4.345 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(Br)c1 83264796 CZOYWCOIXJLFHC-AWEZNQCLSA-N 355.276 4.261 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccco2)C[C@@H]1c1ccc2c(c1)OCO2 95116685 BULRUKWSJCPPLS-CQSZACIVSA-N 366.398 4.061 0 40 FIAB C[C@@H](NC(=O)Nc1cccc(CSc2ccccn2)c1)c1ccon1 96004127 FWWBXTWXZQXEHX-CYBMUJFWSA-N 354.435 4.245 0 40 FIAB c1ccc(-c2ccc3c([C@@H]4CCCN4Cc4ccncc4)nnn3c2)cc1 96156553 BXVQXUJQERTQRJ-FQEVSTJZSA-N 355.445 4.128 0 40 FIAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)ccc1O 96767619 GQDTXNKZUVRZDU-RAXLEYEMSA-N 355.415 4.416 0 40 FIAB CCOc1cc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)cc(Cl)c1O 186264958 XABBTPUDJQIDJZ-LLVKDONJSA-N 361.825 4.304 0 40 FIAB CCOc1ccc(-c2nn(Cc3ccccc3)c(N)c2C)cc1OCC 199750436 BRTLBQJVZKJPNI-UHFFFAOYSA-N 351.450 4.286 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 219376481 BFAPSDDVXHTGES-ICSRJNTNSA-N 355.478 4.353 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 222820117 WVUHOGOBAONXTA-HNNXBMFYSA-N 367.445 4.066 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)c1cc2cc3ccccc3nc2s1 223133211 ISIOFPLTWOTTIY-UHFFFAOYSA-N 362.410 4.108 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccccc1F 223716296 SMEMSTYUPZIQQD-SFHVURJKSA-N 357.425 4.186 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 225761418 PGGNHLQJVKJDJS-GOSISDBHSA-N 356.491 4.465 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccc(C)cc1 225774930 MAMSQUNIZKPEEM-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CCn1nc(C)c(CNc2cc(C)cc(I)c2)c1C 513017667 SFPOVJAOHBTQJS-UHFFFAOYSA-N 369.250 4.045 0 40 FIAB O=C(NCC1(C(F)(F)F)CC1)Nc1ccnc(Oc2ccccc2)c1 554474496 CIMHEJMLGMOKTQ-UHFFFAOYSA-N 351.328 4.338 0 40 FIAB CC(C)SCCNC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 557961650 KYQWNGXECGKXRA-UHFFFAOYSA-N 358.294 4.051 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NCCn2cc(-c3cccnc3)cn2)cc1 585148382 MPHFXHMMXVYAGO-UHFFFAOYSA-N 363.465 4.064 0 40 FIAB CC1(C)CC[C@H]2CN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC[C@@]2(C)O1 585284438 FQFPPJJUAUGPFG-YCRPNKLZSA-N 372.440 4.291 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)Nc2cn(C)nc2-c2ccccc2)o1 679438347 UTILYDIJTQAZLO-QGZVFWFLSA-N 350.422 4.358 0 40 FIAB Cc1cscc1CNC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 683849695 VKBCCBXLLBXNIM-UHFFFAOYSA-N 354.479 4.022 0 40 FIAB Cc1ccc(OC[C@@H](C)N=c2nc(-c3ccncc3)[nH]c3ccccc23)cc1 1306948369 HUHOQFVNJZRWCQ-QGZVFWFLSA-N 370.456 4.302 0 40 FIAB Cc1ccc(-c2noc(CC3CCN(C(=O)c4cccs4)CC3)n2)cc1 1888961596 ZOGCCWXNWIITBO-UHFFFAOYSA-N 367.474 4.201 0 40 FIAB CCOc1ccc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2c1C 630486 AXVAHQUNMQJTHQ-UHFFFAOYSA-N 352.386 4.328 0 40 FIAB biogenic Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1 667132 FHTJTDNDOJFURS-UHFFFAOYSA-N 373.825 4.071 0 40 FIAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 875847 UZMLGAWDNLLYKN-UHFFFAOYSA-N 358.394 4.071 0 40 FIAB COc1cccc(C(=O)CSc2nnc3c(C)cc4ccccc4n23)c1 1223217 YJRRXGKPAZVUGU-UHFFFAOYSA-N 363.442 4.175 0 40 FIAB Cc1cccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 1358291 DASTXSFJIGRJLC-OAHLLOKOSA-N 350.491 4.448 0 40 FIAB O=C(Nc1ccccc1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1391107 DDGDPGIQIGEUBJ-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CC1(C)Cc2nc3oc4c(NCCc5ccccc5)ncnc4c3cc2CO1 2129896 VCMXYPCLLVHZEU-UHFFFAOYSA-N 374.444 4.277 0 40 FIAB biogenic O=C(OCc1nc2ccccc2s1)c1ccc(Br)s1 2478456 QCJNVVVGENRLKK-UHFFFAOYSA-N 354.250 4.477 0 40 FIAB FC(F)(F)c1ccc(-c2nnc(Cn3cnc(Cl)c3Cl)o2)cc1 2556026 NKIYUJZRLCYSJD-UHFFFAOYSA-N 363.126 4.307 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3cc(C)cc(C)c3)s2)c(OC)c1 3227455 BTNDUDYJKDYHER-UHFFFAOYSA-N 369.446 4.091 0 40 FIAB Cc1ccc(CC(=O)Nc2ccc(I)cc2)cc1C 3560156 GPRLXJQLTQQJMA-UHFFFAOYSA-N 365.214 4.089 0 40 FIAB CCCCNC(=S)NCCn1c2ccccc2c2c(C)cc(C)nc21 3765465 QHKKWSXFFFIMST-UHFFFAOYSA-N 354.523 4.071 0 40 FIAB COc1cc2c(c(OC)c1)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 4488825 RUTCMYVCHCOWGI-NSHDSACASA-N 352.217 4.485 0 40 FIAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(OCCc2ccccc2)cc1 4679606 KPJRGUKEBIZBJJ-UHFFFAOYSA-N 355.434 4.138 0 40 FIAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 5219852 CLMSALKEVFSCJU-CYBMUJFWSA-N 361.511 4.287 0 40 FIAB Cc1ccccc1-c1nc2c3cnn(-c4ccccc4Cl)c3ncn2n1 5322135 QJCSVMMSSZFWSO-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)C1CCC1)c1ccccc1 5507345 DRROCSFWAMXCDT-LJQANCHMSA-N 353.418 4.027 0 40 FIAB O=C1c2ccccc2C(=O)N1CCCSc1nc2ccccc2s1 5903508 UXAXKDQDLIPDLG-UHFFFAOYSA-N 354.456 4.075 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1CC(C)C 6232916 XALFOXRXKXPVAI-UHFFFAOYSA-N 370.478 4.233 0 40 FIAB COc1ccccc1C(=O)COc1ccccc1C(=O)Nc1ccccc1 6460949 JKWWPPXESSXGTH-UHFFFAOYSA-N 361.397 4.209 0 40 FIAB CC(=O)c1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 7096586 QQEQGSKVQIXBJH-NRFANRHFSA-N 365.454 4.235 0 40 FIAB biogenic COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 7698999 IFNRSNFMJNDWGB-LLVKDONJSA-N 354.233 4.086 0 40 FIAB COc1ccccc1CC(=O)Nc1ccc(Br)cc1Cl 7748123 XJFAWTROSWZSPZ-UHFFFAOYSA-N 354.631 4.292 0 40 FIAB COc1ccc(CNC(=O)c2cc(C3CC3)nc3ccccc23)cc1OC 8134129 ACECOMAOCSYFOK-UHFFFAOYSA-N 362.429 4.059 0 40 FIAB C[C@H](C(=O)N1CCCCCC1)N1CCC(c2nc3ccccc3s2)CC1 8533051 JCHIQTKGYNXCAB-MRXNPFEDSA-N 371.550 4.267 0 40 FIAB C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(-n2ccnc2)cc1 8725295 XQCCRUHTUJAITI-QGZVFWFLSA-N 355.441 4.445 0 40 FIAB COc1ccccc1NC(=O)c1csc(COc2ccc(C)cc2)n1 8750599 MYQFBNSNMIVGOI-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB CCCCCc1c(C)nc(Nc2nc(C)c3ccc(CC)cc3n2)[nH]c1=O 9190043 NHDPTRFOXXCYFN-UHFFFAOYSA-N 365.481 4.369 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1cc(F)c(Cl)cc1Cl 9365299 HGMQRBGZMAMHAH-UHFFFAOYSA-N 355.240 4.124 0 40 FIAB O=C(OC(c1ccccc1)c1ccccc1)c1cc(=O)[nH]c2ccccc12 9459074 WQHLGQBNCKEIKS-UHFFFAOYSA-N 355.393 4.475 0 40 FIAB O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1cccc2ccccc12 9614904 VNHADIXLEFCLPN-UHFFFAOYSA-N 374.469 4.280 0 40 FIAB Fc1ccc(-c2noc(CSc3nnc(Cc4ccccc4)o3)n2)cc1 9912006 LAMLFXNBCYZPBH-UHFFFAOYSA-N 368.393 4.142 0 40 FIAB Cc1cccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)c1 10213701 GVEGNIPLQIVOLI-UHFFFAOYSA-N 364.428 4.407 0 40 FIAB COc1cc(NC(=O)CNc2ccc(Cl)cc2F)c(OC)cc1Cl 11549542 HWWOICPRADRLSZ-UHFFFAOYSA-N 373.211 4.200 0 40 FIAB Cc1cn2c(/C=C3\N=C(c4cccc(Cl)c4)OC3=O)c(C)nc2s1 12551156 MHNXDIUVHBQCSO-QPEQYQDCSA-N 357.822 4.011 0 40 FIAB Cc1c(C(=O)N2CCC[C@](O)(c3ccc(F)cc3)CC2)[nH]c2ccccc12 12755532 UBALFIJMRFIUEC-JOCHJYFZSA-N 366.436 4.129 0 40 FIAB C[C@H]1CN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)O1 12807525 HHDDNLWOSWAREP-TXEJJXNPSA-N 356.413 4.438 0 40 FIAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 12866870 FGSMNVMTSWIBCO-UHFFFAOYSA-N 370.880 4.062 0 40 FIAB CC(C)c1noc([C@@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)n1 12895479 KHYMEFOVNCLRLX-OALRPVAKSA-N 359.430 4.474 0 40 FIAB Cc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 13095705 HBPGKVLIIVHZPJ-UHFFFAOYSA-N 352.356 4.097 0 40 FIAB O=C(c1ccccc1)C1CCN(CN2C(=O)c3cccc4cccc2c34)CC1 14122337 XUCZDNKDIOFWNN-UHFFFAOYSA-N 370.452 4.352 0 40 FIAB CNC(=O)c1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 14184783 VKTJJLLFOBFSJJ-UHFFFAOYSA-N 371.396 4.107 0 40 FIAB C[C@H]1CCCCN1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 16338612 HQMFJRSRTMDNBB-FXAWDEMLSA-N 350.462 4.028 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccncc2C)cc1OC 19239550 QXFAHLQQSDYZIG-YDLSIGKMSA-N 366.505 4.469 0 40 FIAB Cc1noc2nc([C@H]3CCCN(Cc4cccnc4)C3)cc(C(F)F)c12 19564383 GXJYKVQXFSYAAX-AWEZNQCLSA-N 358.392 4.243 0 40 FIAB O=C(c1cccc2ccccc12)N1CCN(Cc2ccccc2Cl)CC1 19841910 VQQROZGYBDKDBE-UHFFFAOYSA-N 364.876 4.451 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 21596308 YAKPXCFEOBNNBX-UHFFFAOYSA-N 355.488 4.432 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N2CCCc3ccccc32)cc1OC 22508868 BHCKDQFMZITKDD-AWEZNQCLSA-N 357.475 4.164 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 23692275 UHYXTEWBDLRAML-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COc2cccc(Oc3ccccn3)c2)[C@@H]1C 25943097 WECMXBNJQVVRGC-GPMSIDNRSA-N 354.450 4.194 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 28818702 PKJXTGQOKNJJMV-UHFFFAOYSA-N 369.296 4.226 0 40 FIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Cc1ccc(F)cc1 32609735 NEALORXUXPBKKX-UHFFFAOYSA-N 355.388 4.008 0 40 FIAB Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1 33063720 BTAVRLCDAYZLQS-UHFFFAOYSA-N 366.486 4.325 0 40 FIAB Cc1ccc(C(=O)c2cnc3cc4c(cc3c2N2CCCC2)OCCO4)cc1 36370369 JHEXQHZIPFTBIA-UHFFFAOYSA-N 374.440 4.146 0 40 FIAB CC(=O)OC[C@@]12CO[C@@H](c3ccccc3OC(C)=O)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 38549406 ZWLSDBYOOPGGSP-GMPGMJKSSA-N 372.461 4.081 0 40 FIAB biogenic CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 40120658 NFBFRYVMHOEDKU-AWEZNQCLSA-N 371.437 4.489 0 40 FIAB O=S(=O)(Nc1ccc(-c2cnco2)cc1)c1ccc(C(F)(F)F)cc1 40146683 DNESCQGSLOVNCC-UHFFFAOYSA-N 368.336 4.161 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2nccs2)c1 40150699 YNAJYMCOIIQWMD-HNNXBMFYSA-N 373.478 4.148 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)cc1 40313188 KABQKXKODVCXMR-INIZCTEOSA-N 362.385 4.308 0 40 FIAB biogenic CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3sccc3c2)cc1 41219031 DVQLOVMOSICCGO-ZDUSSCGKSA-N 368.458 4.116 0 40 FIAB CCOC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc2c1CC[C@H](C)C2 44827182 SLEWNICQLQCODZ-APPDUMDISA-N 371.458 4.331 0 40 FIAB CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44903790 BCVGICKXPSQFLY-HXUWFJFHSA-N 368.521 4.254 0 40 FIAB C[C@@H]1CCCC[C@@H]1OCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 48237296 FYCYQQRHCFJUHJ-VGSWGCGISA-N 370.537 4.139 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)c1)C1CC1 49765263 QSSGQCZNZOFFOT-HXUWFJFHSA-N 363.461 4.188 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364459 YTMIPSBAKGMMEW-QGZVFWFLSA-N 374.440 4.244 0 40 FIAB Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(Cn2cccn2)cc1 58473563 LTUMAZYEVBNHDU-UHFFFAOYSA-N 364.430 4.209 0 40 FIAB Cc1cc(SCC(=O)Nc2ccccc2F)nc(-c2ccc(F)cc2)n1 67257171 VGGTUWJJBBSLTF-UHFFFAOYSA-N 371.412 4.461 0 40 FIAB COc1ccc([C@H](NC(=O)c2ccncc2Cl)c2ccccc2)cc1 72939002 MEEZMDYSUBFSCE-LJQANCHMSA-N 352.821 4.263 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC1CCN(CCc2ccccc2)CC1 78722624 YLKUHJGXILIFAN-UHFFFAOYSA-N 372.512 4.206 0 40 FIAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)O[C@H]3CCCCC3=O)c12 84169888 UFFFBWARRAKULJ-KRWDZBQOSA-N 370.449 4.357 0 40 FIAB CC(C)C(=O)NC[C@H]1CCCN([C@@H]2CCc3c(Cl)cc(Cl)cc32)C1 89775684 CQUSTFONQRXFHY-FZKQIMNGSA-N 369.336 4.465 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1C 95067884 HDUPCEZDHQEYQM-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1cccnc1 95480857 DRPLJCHSUARSST-SFHVURJKSA-N 353.853 4.027 0 40 FIAB CO[C@](C)(CNC(=O)C1(c2cccs2)CCCC1)c1ccccc1F 96123503 KPDQXHNDWBBUGN-LJQANCHMSA-N 361.482 4.377 0 40 FIAB CCCCc1nc(CN2CCC([C@H](O)c3ccccc3)CC2)c(Cl)[nH]1 97105419 LZUPNKYESMRBJX-LJQANCHMSA-N 361.917 4.351 0 40 FIAB CC(=O)c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 100528712 IPIOGWSGQVLPTL-UHFFFAOYSA-N 365.864 4.417 0 40 FIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CC(=O)N5CCOCC5)(C4)C2)C3)cc1 100622139 CUVQHYWNHMDFGI-WSUXWNOTSA-N 353.506 4.082 0 40 FIAB O=C(NCc1ccn(C2CCCC2)n1)N1CCCCC[C@@H]1c1ccco1 152264395 NAAOPHZANCRHJK-GOSISDBHSA-N 356.470 4.418 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1 219617741 NPJGJDROPAWAHQ-LJQANCHMSA-N 360.885 4.140 0 40 FIAB Cc1cnc(NC(=S)NCc2ccc(Cl)cc2)c(Br)c1 223928831 UZMRXQLFAVYPLM-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2ccc(C)c(Cl)c2)c1 224155712 PRCYDJSJXQVTOE-UHFFFAOYSA-N 361.869 4.148 0 40 FIAB CC(C)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226352580 RHBIXAUFWXNHRL-UHFFFAOYSA-N 352.184 4.002 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@@H]2c2ccncn2)o1 257217548 CZLPAOITTTWKIG-LJQANCHMSA-N 363.417 4.162 0 40 FIAB c1ccc(Nc2cc([C@H]3CCCN(Cc4cscn4)C3)ccn2)nc1 257222317 DSVFIGXYDRPTOA-INIZCTEOSA-N 351.479 4.056 0 40 FIAB CC(C)COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409065270 HFYOLMQXWFKQTG-VCHYOVAHSA-N 370.836 4.472 0 40 FIAB COCCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 409130435 HUOLIZXPPKXBFA-SDNWHVSQSA-N 361.444 4.114 0 40 FIAB O=C1N/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(Cl)cc1 409169279 WNKIAVFXOKQCBM-FOWTUZBSSA-N 371.824 4.021 0 40 FIAB O=C(N[C@H]1CCOc2c(-c3ccccc3)cccc21)c1n[nH]c2ccccc12 505142028 ZWXKRGDKIPPKEO-IBGZPJMESA-N 369.424 4.484 0 40 FIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1csc(-c2ccccc2)n1 575414423 KLEHSLNDPHGELA-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB Cc1cn2c([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)cccc2n1 585182459 XWJRNLKTLKVBPH-KRWDZBQOSA-N 372.472 4.073 0 40 FIAB COc1ccc(CNC(=O)c2oc3ccc(Br)cc3c2C)cc1 634113 QEZUAECNSFCFHR-UHFFFAOYSA-N 374.234 4.442 0 40 FIAB CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc(C(C)=O)c1C 668277 CHPOFUGJMOZFRE-UHFFFAOYSA-N 351.468 4.345 0 40 FIAB CNc1oc(-c2cccc(C)c2)nc1S(=O)(=O)c1ccc(Cl)cc1 865465 NOHKYNDAFNVKMO-UHFFFAOYSA-N 362.838 4.178 0 40 FIAB Cc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 969819 CXATUVRNGQDEMZ-RGEXLXHISA-N 362.454 4.466 0 40 FIAB CCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O 987027 YOCKEDVCQYCAGK-CQSZACIVSA-N 351.450 4.035 0 40 FIAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(C(C)=O)c1 1095557 SWCPATIPDPHBQT-RMKNXTFCSA-N 374.234 4.312 0 40 FIAB COc1ccc(-c2cncc(-c3ccc(OC)c(OC)c3)c2)cc1OC 1682309 PWLKTSPYRQGBAI-UHFFFAOYSA-N 351.402 4.450 0 40 FIAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Br)cc1 2501317 UKUFWQHANJXPCO-UHFFFAOYSA-N 362.248 4.403 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1Cl 3235533 YCBCRRBZAWFFPV-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)COc2ccc(C(C)(C)C)cc2)c1 3269923 NKSBVBWIQCESOF-UHFFFAOYSA-N 369.461 4.162 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)NCc1ccc(Cl)cc1Cl 3385515 AHOLUTFMQWWTQI-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB Cn1cccc1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 3447785 IKGUOFMMZWOANZ-NRFANRHFSA-N 367.376 4.129 0 40 FIAB CCOC(=O)c1sc2nc(NC(=O)Cc3ccccc3)sc2c1C 4088261 BLALXELYSDUHBH-UHFFFAOYSA-N 360.460 4.024 0 40 FIAB Clc1ccc(-c2ccc3nnc(SCc4cccnc4)n3n2)cc1 4273119 OPYDNIITRYVAQR-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB Cc1ccc(C(=O)Oc2coc(CSc3nc(C)cs3)cc2=O)cc1 4518814 QSZPLHUAUFNGBM-UHFFFAOYSA-N 373.455 4.225 0 40 FIAB COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc2c1CCC2 4691515 MUOMEMSNIIZDHG-UHFFFAOYSA-N 373.474 4.164 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)CC2=O)cc1 4699517 QXJHPKOHAXHMGZ-CYBMUJFWSA-N 360.816 4.033 0 40 FIAB CC(C)OCCCNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4699682 NPTXRNUIDUDYBO-UHFFFAOYSA-N 368.477 4.063 0 40 FIAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(Cl)c(Cl)c1 4771618 IIXWJKXOVDWWAK-UHFFFAOYSA-N 371.220 4.148 0 40 FIAB Cc1nn2c(-c3ccccc3NC(=O)c3ccco3)nnc2c2ccccc12 5272578 OJXOHLBNIGKUIO-UHFFFAOYSA-N 369.384 4.098 0 40 FIAB COc1ccc2nc(NC(=O)COc3ccc(Cl)cc3C)sc2c1 5750121 AOUYTTVARVNLCW-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB CCOC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 6387053 NBXBKJUTSKUNCR-UHFFFAOYSA-N 361.825 4.313 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc4n3CCCCC4)o2)cc1 7081613 AEEGMTAHJBSEQI-ZDUSSCGKSA-N 355.467 4.216 0 40 FIAB Cc1cccc(C)c1OCc1nnc(SCCOc2ccccc2)n1C 7341816 ZAUHSBBRVNOONA-UHFFFAOYSA-N 369.490 4.182 0 40 FIAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(F)c1 7940266 SVICWKPVQZUPEI-FRXJQHJJSA-N 372.484 4.121 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)n1CC 8188450 CXRKGBIEYNNMLQ-UHFFFAOYSA-N 371.462 4.452 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)cc1 8291219 HQIJKJDDMMLSAE-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)o1 8586590 ONHKBWDQYNZLBI-UHFFFAOYSA-N 356.809 4.249 0 40 FIAB C[C@H](Sc1nc2ccsc2c(=O)n1C)C(=O)c1ccc(Cl)cc1 9114329 QRMIAZIASLNIPO-VIFPVBQESA-N 364.879 4.012 0 40 FIAB CC(C)CCN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 9164733 CLQCEZTYZCHWRG-UHFFFAOYSA-N 368.452 4.332 0 40 FIAB CCOc1cccc2cc(-c3nnc(NC(=O)c4cccs4)o3)oc12 9168045 LZRCUFRIDLSMKX-UHFFFAOYSA-N 355.375 4.195 0 40 FIAB COc1ccc2oc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(C)c2c1 9316196 OQPCFKRDRFNVMP-UHFFFAOYSA-N 371.389 4.028 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccncc1 9515478 ZHSNMEIMTJONKE-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c2c1[C@H](C)CC2=O 11052504 ZGOUYLXGLQITAL-SNVBAGLBSA-N 363.335 4.120 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12538747 OMUWDSQRPJHWEQ-KRWDZBQOSA-N 373.378 4.071 0 40 FIAB Clc1snnc1CSc1nnc(C2CC2)n1Cc1ccccc1 12812767 CRBUQPUNTPCOLP-UHFFFAOYSA-N 363.899 4.001 0 40 FIAB CC(C)CNC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc12 12816538 DGBCGIVKJGWWET-CYBMUJFWSA-N 355.463 4.143 0 40 FIAB Cc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4)no3)sc2c1 12819397 NFBQTLIARDWHJW-UHFFFAOYSA-N 364.430 4.226 0 40 FIAB Cn1nccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 13655856 WOBYKFYDGNSINY-UHFFFAOYSA-N 374.227 4.210 0 40 FIAB COc1cccc(-c2nc(C)c(C(=O)Nc3cc(C)ccc3O)s2)c1 13724817 WNBMZPMJLKKKNV-UHFFFAOYSA-N 354.431 4.393 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(=O)C(C)(C)C)c1 14199235 JZHKVQIZNLAUNV-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB O=C(CSCc1cccc(F)c1F)NC12CC3CC(CC(C3)C1)C2 15497093 XZGYZONAXIZQGR-UHFFFAOYSA-N 351.462 4.283 0 40 FIAB Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 18167032 REXAKMSIGUAJOA-UHFFFAOYSA-N 370.499 4.147 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)N[C@H](c1ccccn1)C2 19550742 GNQSUNGDBJFPCZ-UGKGYDQZSA-N 364.420 4.214 0 40 FIAB CC(=O)c1ccccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 21054440 ZWJLAEVYRKBZJE-UHFFFAOYSA-N 367.836 4.348 0 40 FIAB Cc1ccc(Nc2nnc(S[C@H]3CCCCNC3=O)s2)cc1Cl 22202534 VZUHKICTWTVUEU-LBPRGKRZSA-N 368.915 4.004 0 40 FIAB C[C@H]1COC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1 22258465 FCCUEEWNNQMJLN-GASCZTMLSA-N 359.853 4.168 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 23055180 HSMDVGMKAQGPIZ-QFIPXVFZSA-N 374.444 4.006 0 40 FIAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccccc1 24752188 LFDYMSKDPYFVPY-UHFFFAOYSA-N 355.825 4.441 0 40 FIAB C[C@H](NC(=O)CN1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)CCCC2 24798566 WTLJONSCQMTXQQ-KBXCAEBGSA-N 368.443 4.017 0 40 FIAB CC(C)[C@H](CNC(=O)c1c(F)cccc1Cl)N1CCc2ccccc2C1 25919894 VSJPBORYEMQPGP-IBGZPJMESA-N 374.887 4.292 0 40 FIAB CCc1ccc2oc(C(=O)Nc3ccccc3Br)cc(=O)c2c1 27794030 IUZHVGFCFRMCSV-UHFFFAOYSA-N 372.218 4.370 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(F)cc2cccnc12 31607429 ACWNOMKEXLYNII-UHFFFAOYSA-N 356.706 4.256 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@H]1C(=O)Nc2ccc(F)cc21 32091342 VRJSVPZIFFYKNG-HNNXBMFYSA-N 370.405 4.061 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1 40034429 ZOKKXKQZUOKQAO-UHFFFAOYSA-N 353.466 4.178 0 40 FIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(N2CCCC2=O)cc1 40081587 PPDMNCYCAGLTCB-UHFFFAOYSA-N 361.401 4.084 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40145716 NQECBXJDTPVCAB-ZWKOTPCHSA-N 370.518 4.139 0 40 FIAB O[C@H](CNC1CCCCC1)COCC(c1ccccc1)c1ccccc1 40373182 GTOZFTXRFQBFTC-JOCHJYFZSA-N 353.506 4.118 0 40 FIAB Cc1cc(OCC(=O)N[C@H]2CCCc3ccccc32)ccc1Br 44843186 WYJHVCDNVRQMPY-SFHVURJKSA-N 374.278 4.330 0 40 FIAB C[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccc(NC(=O)C2CC2)cc1 45026824 WYXRFIWAEJXKOU-SNVBAGLBSA-N 350.344 4.017 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 47320762 DVGLLNUJNRXIBR-WEVVVXLNSA-N 371.343 4.298 0 40 FIAB COCCN(Cc1ccccc1)C(=O)c1c(C)oc2ccc(OC)cc12 48303849 XQTIDYSKMMBLQX-UHFFFAOYSA-N 353.418 4.039 0 40 FIAB O=C(Nc1cccc2c1OCCO2)N1CCCCC[C@H]1c1ccncc1 56720457 SBINZDWKMHEGAQ-KRWDZBQOSA-N 353.422 4.002 0 40 FIAB CCn1ccc2cc(NC(=O)CSc3ccc4c(c3)OCCO4)ccc21 57985669 KWPSZOHUARBEJS-UHFFFAOYSA-N 368.458 4.163 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1cc2ccccc2o1 58145183 SJDGYYJXTAHDEA-SNVBAGLBSA-N 365.414 4.235 0 40 FIAB COc1cc(C[C@H]2C(=O)Nc3cc(Cl)ccc32)ccc1OC(F)F 61719235 IOMWPIYIPLZEEZ-GFCCVEGCSA-N 353.752 4.228 0 40 FIAB Fc1c(-c2nn3c(-c4cccnc4)nnc3s2)cccc1C(F)(F)F 61720387 ZOVCQKLLQSPHGS-UHFFFAOYSA-N 365.315 4.073 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)cc1 72329549 XIMYDTPPDOLMOH-ZDUSSCGKSA-N 368.408 4.191 0 40 FIAB C[C@@](O)(CNC(=O)NCCc1ccccc1)c1ccc(-c2ccccc2)cc1 75155404 WFRLHSNJTSKSDU-XMMPIXPASA-N 374.484 4.103 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)on1 77212548 GYENUWHLQKODCU-PMPSAXMXSA-N 364.367 4.469 0 40 FIAB CSCc1ccc(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)cc1 89761820 VXJPIFIACUOGIW-LJQANCHMSA-N 357.519 4.082 0 40 FIAB COc1cccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2Cc2cnc(C(C)C)nc2)c1 100728941 DTSVJXKHWICMDF-OPYAIIAOSA-N 367.493 4.041 0 40 FIAB CSc1nsc(SCC(=O)O[C@H]2C[C@@]3(C)CC[C@H]2C3(C)C)n1 102525360 ODDLHDZMUSKLGX-HFBDOXOYSA-N 358.554 4.110 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCS[C@@H](c2ccccc2F)CC1 219074737 LLSICSDNTJKNJP-GOSISDBHSA-N 372.421 4.394 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1F 219575251 FOPIZZPSMJVYIY-GOSISDBHSA-N 359.441 4.131 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(O)c(Cl)c3)N21 222664674 QMDJNMDWJTVICD-CSMYWGQOSA-N 359.882 4.420 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(Cl)c1 222770898 AXMIOBZQHSFDTM-KRWDZBQOSA-N 359.853 4.446 0 40 FIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 223695812 XZUVOBJAEFMNTL-UHFFFAOYSA-N 374.289 4.213 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cc(C)cc(C)c1 224107921 WBCZWDGSFFQOQB-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 224771544 IZXSHLCXEWAAGU-OAHLLOKOSA-N 355.434 4.311 0 40 FIAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 225317378 UCQSHFHNTZJLJS-IBGZPJMESA-N 353.462 4.355 0 40 FIAB Cc1ccc(SCCCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 225587704 ITFUTQJMPVYDEP-UHFFFAOYSA-N 374.531 4.235 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1 225791489 UPEDVOXTQRSAFP-UHFFFAOYSA-N 355.438 4.118 0 40 FIAB CC(C)CNC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1 225893214 PYZDNZZXEJKHQD-UHFFFAOYSA-N 370.400 4.230 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC)cc3OC)N21 260788320 YTHBGVFCAFESIK-VMDGZTHMSA-N 369.490 4.078 0 40 FIAB CC(C)(C)OC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@H]2[C@@]1(O)C(F)(F)F 409098268 KVLZVMXVRGYYFW-LYOVBCGYSA-N 364.408 4.306 0 40 FIAB CCn1c(CN2C[C@H](c3ccccc3)C[C@H]2C)nc2cc(C(=O)O)ccc21 568404185 HNQVMMAJGOZWJY-CRAIPNDOSA-N 363.461 4.132 0 40 FIAB O=C(c1cccc2c1COCC2)N1CC2(CCCC2)c2c(F)cccc21 1328197775 OPTYREVHUMSQKW-UHFFFAOYSA-N 351.421 4.371 0 40 FIAB Oc1ccc(Cl)c(CN2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)c1 1620479339 MXXKZVQDSVYYEH-LJQANCHMSA-N 357.816 4.056 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)cc3Cl)sc2c1 814038 VQMVZGRUICVHOW-UHFFFAOYSA-N 359.838 4.469 0 40 FIAB CCCC(=O)NC1=C(C(=O)OCC)C2(CCCCC2)Cc2ccccc21 866552 IEIZRFGWYHXZMU-UHFFFAOYSA-N 355.478 4.384 0 40 FIAB CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1 2627425 HRMLLSAZFRLXPW-UHFFFAOYSA-N 363.446 4.307 0 40 FIAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NC1CCCCCCC1 3318597 CKCLZDIODRLQJD-UHFFFAOYSA-N 358.265 4.379 0 40 FIAB Cc1cc(NCC(C)(C)CN(C)C)n2nc(-c3cccc(Cl)c3)cc2n1 4969564 ZVGTZGDKYAETNN-UHFFFAOYSA-N 371.916 4.358 0 40 FIAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(F)cc1 4973314 GARRCKKPSMPMPD-UHFFFAOYSA-N 363.348 4.290 0 40 FIAB COc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(Cl)cc1)=N2 5447950 IQEYYWFGQUPUDD-UHFFFAOYSA-N 362.820 4.178 0 40 FIAB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC 5464229 INACIXGWGKNAMD-XNTDXEJSSA-N 357.793 4.092 0 40 FIAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2cc1O 5900293 IKTHWJWVBYKWAF-UHFFFAOYSA-N 352.386 4.279 0 40 FIAB biogenic Cc1cc2occ(CC(=O)Nc3ccc(C(N)=O)cc3)c2cc1C(C)C 6084872 KPAZHZVWHVXAKC-UHFFFAOYSA-N 350.418 4.145 0 40 FIAB COc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccccc1 6380540 LVPDDMLRTRPAOZ-BQYQJAHWSA-N 363.207 4.135 0 40 FIAB O=C(Cn1c(=O)oc2ccccc21)N(C1CCCCC1)C1CCCCC1 6627042 ZGYANBRTPQIMER-UHFFFAOYSA-N 356.466 4.089 0 40 FIAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc(OC(F)F)cc2)c1C 6943385 LVLGETPIVRRCIN-UHFFFAOYSA-N 365.376 4.156 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(OC(F)(F)F)cc1 6969883 GXZOJSUCXVAZQC-UHFFFAOYSA-N 365.336 4.356 0 40 FIAB CCc1ccc(-c2noc(CSc3nnc(-c4ccco4)o3)n2)cc1 7112492 VPGSDZVMOOUECS-UHFFFAOYSA-N 354.391 4.234 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cccs2)cs1 7532983 FMRYVGZQGNJUCQ-UHFFFAOYSA-N 358.444 4.246 0 40 FIAB COc1ccc(CCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 7641058 ZSKPUFTYYFDFES-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB O=C1CCCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789513 QJCUANCVVFGDHF-QGZVFWFLSA-N 352.463 4.365 0 40 FIAB COc1ccc(NC(=O)c2cccnc2Oc2ccccc2)c(OC)c1 8329132 SZIKERHFBIKHOJ-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)Sc2nnc3ccccn23)cc1 8392719 QEJPCBRCGVXQFU-ZIAGYGMSSA-N 354.479 4.362 0 40 FIAB O=c1[nH]cnc2c(-c3nc4ccccc4[nH]3)c(Nc3ccccc3)sc12 8706571 CBVLAZRZVZETGE-UHFFFAOYSA-N 359.414 4.272 0 40 FIAB in-vitro c1ccc(-n2ncc3c(NCc4coc(-c5cccs5)n4)ncnc32)cc1 9513574 SYXMNONTBCYUNL-UHFFFAOYSA-N 374.429 4.144 0 40 FIAB CC(C)c1nnc(SCC(=O)N2c3ccccc3CC[C@H]2C)n1C1CC1 10928693 WVPZCHHNTPISML-CQSZACIVSA-N 370.522 4.196 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1Cl 11246803 YIOIIFUONPOUNV-GOSISDBHSA-N 366.852 4.199 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)CCCOc2ccc(C)cc2)c1 12761105 GDKFJFPFOCHNTP-UHFFFAOYSA-N 368.477 4.275 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c(OC)c1 12820554 QHHWRFILNCSORD-VNGFFZMTSA-N 371.399 4.344 0 40 FIAB Cc1nn(C)c2sc(C(=O)Nc3ccc(Cl)c4cccnc34)cc12 12822130 ONKHTVZSOPMBJJ-UHFFFAOYSA-N 356.838 4.397 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)c1 12822795 WFDVHJDCQLVLDL-HOTGVXAUSA-N 357.523 4.490 0 40 FIAB Fc1cccc(-c2nnn(Cc3csc(-c4ccccc4Cl)n3)n2)c1 12920027 BJLCDBJILCHQQQ-UHFFFAOYSA-N 371.828 4.304 0 40 FIAB CC[C@@H](C)c1ccc([C@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12971950 YZIYRYZCMQGJML-YJYMSZOUSA-N 364.478 4.296 0 40 FIAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 13135684 WWSCLHFIQRYFIU-INIZCTEOSA-N 365.452 4.338 0 40 FIAB CCOC(=O)c1sc(SCC)nc1NC(=O)Nc1ccccc1 13363323 NJYWJXMCTCRNOU-UHFFFAOYSA-N 351.453 4.076 0 40 FIAB COc1ccc(CN(C)C(=O)c2csc(-c3cccs3)n2)cc1F 13987526 OIZCCNVCLVNWFQ-UHFFFAOYSA-N 362.451 4.292 0 40 FIAB CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2cccs2)c1 14077297 KMBCXTNISUJYQR-UHFFFAOYSA-N 350.443 4.273 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc(OC(C)C)cc2)cs1 19580542 XGAIEVKJRSHMHK-UHFFFAOYSA-N 371.462 4.383 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2ncn(C)c2c1 19718239 OMCAUVCCEKLDHB-UHFFFAOYSA-N 366.808 4.442 0 40 FIAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 20039064 SYLPHTLETMAWBK-UHFFFAOYSA-N 366.505 4.390 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccc(OC)cc1 20039604 JAOILKCPRWIGME-LIRRHRJNSA-N 359.491 4.452 0 40 FIAB C[C@H]1Oc2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)cc2NC1=O 21601237 JXPLSNPTPAGAIG-SSDOTTSWSA-N 369.179 4.104 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC(C1CC1)C1CC1 25537305 MWKROXCCESERDK-VIFPVBQESA-N 372.690 4.175 0 40 FIAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1F 27978647 CQMQXUYHKYNFIZ-AWEZNQCLSA-N 351.761 4.004 0 40 FIAB CCn1nc(C)c2c(C(=O)Nc3nc4ccc(C)cc4s3)cc(C)nc21 28240045 DDCWXEWKFFYRHM-UHFFFAOYSA-N 365.462 4.238 0 40 FIAB O=C(COC(=O)CC1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 28611325 JMDIAUIDRAHGQR-UHFFFAOYSA-N 359.344 4.037 0 40 FIAB Cc1cc(C)cc(C(=O)N2CCN(Cc3csc(C(C)(C)C)n3)CC2)c1 29720712 KEZIDYYEUOGHLE-UHFFFAOYSA-N 371.550 4.015 0 40 FIAB CN1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1 30029056 FHWVMLRCTOZPNT-GNISGLHKSA-N 374.406 4.234 0 40 FIAB C[C@@H]1Cc2cc(-c3cc(CNC(=O)c4ccccc4Cl)no3)ccc2O1 35589960 UZQFPRNABLSUIZ-GFCCVEGCSA-N 368.820 4.248 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)NCCSC2CCCCC2)cc1 38852891 HKSAVTYTTSRHQE-UHFFFAOYSA-N 357.523 4.036 0 40 FIAB CCCc1ccccc1NC(=O)c1nc(N2CCCCC2)ncc1Cl 40142005 DVGFBRZCJKSMNV-UHFFFAOYSA-N 358.873 4.325 0 40 FIAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(-c2cnco2)cc1 40150801 GTWCUZZNYVYGJJ-UHFFFAOYSA-N 366.417 4.021 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 40267566 ULUFONNTXUQXCW-AWEZNQCLSA-N 358.323 4.410 0 40 FIAB O=C(NCCSCc1ccco1)c1ccc(CN2CCCCCC2)cc1 44786540 YAOAXLIADWUFKY-UHFFFAOYSA-N 372.534 4.319 0 40 FIAB O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078383 CEVMTAUUVXTJQH-UHFFFAOYSA-N 370.452 4.210 0 40 FIAB CCc1ccc(CN(Cc2cccnc2)C(=O)Nc2cnn(CC)c2)cc1 56500233 RQCZEZCQIRUSIV-UHFFFAOYSA-N 363.465 4.095 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(O)c(Cl)c1 60632659 DMTBAWIAGUOGTJ-UHFFFAOYSA-N 374.805 4.150 0 40 FIAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N(C)C 62582233 JFWFQNSGVIQAHO-QFBILLFUSA-N 371.550 4.361 0 40 FIAB O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@@H]1C[C@H]2CC[C@@H]1O2 70849255 OUYNEDUYNUAETD-NUJGCVRESA-N 359.372 4.050 0 40 FIAB Cc1ccc(NC(=O)c2cccc(F)c2)c(-c2nc3ccccc3[nH]c2=O)c1 89626415 BTUOIIYIPZYESB-UHFFFAOYSA-N 373.387 4.290 0 40 FIAB Cc1nc(CNCc2c(C)nn(C)c2Cl)oc1-c1ccc(Cl)cc1 95410323 DDSIEGGEFJFJEJ-UHFFFAOYSA-N 365.264 4.289 0 40 FIAB O=S(=O)(Nc1cnoc1-c1ccccc1)c1ccc2ccccc2c1 95454512 XJDVQNASHYVKBP-UHFFFAOYSA-N 350.399 4.296 0 40 FIAB COc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1 95983687 GFHBNQLGUCNSRK-DYESRHJHSA-N 368.477 4.372 0 40 FIAB Cc1ncccc1NC(=O)c1nc2c(s1)CCCN2Cc1ccccc1 96146837 GFZJTUHKCFJKAM-UHFFFAOYSA-N 364.474 4.052 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@@H](OCCO)c2ccccc23)s1 96241581 FZWSWCBRKXHXIM-HXUWFJFHSA-N 357.519 4.044 0 40 FIAB CCN(C(=O)Nc1ccccc1OC)[C@H]1CCN([C@H](C)c2ccccc2)C1 106924963 GCNFOUSLLJUFNE-MJGOQNOKSA-N 367.493 4.385 0 40 FIAB Cc1ccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 218977975 LTSRMEDFJLSCSF-UHFFFAOYSA-N 361.441 4.383 0 40 FIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@@H](c2ccco2)CC1 219414558 WBGOATZHEHCYCT-CYBMUJFWSA-N 356.369 4.014 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1cccc(OC)c1 219604264 VOLIHXSFXKDLMS-LJQANCHMSA-N 361.869 4.255 0 40 FIAB CCOC(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)c1 219861947 FWBCLVUEDOBIEI-UHFFFAOYSA-N 366.461 4.027 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2CCC(C)CC2)c1 223093463 UFTYUKRHGBVGRE-IBGZPJMESA-N 360.542 4.124 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cccc(C)c1C 223963783 OWCCOCMMFBOGBQ-LJQANCHMSA-N 355.478 4.273 0 40 FIAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 224518044 UDBXGRHNGJVBOP-MOPGFXCFSA-N 365.458 4.169 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1 224606796 AUGWJVHKQYPABD-SECBINFHSA-N 357.888 4.098 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)ccc1F 224905035 KNDUKNYIUNQLIS-OALUTQOASA-N 366.465 4.045 0 40 FIAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCC1CCCCC1 225206493 SYBFTPSLNNZVRC-ZHZULCJRSA-N 366.461 4.055 0 40 FIAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCC2)cc1)C1CC1 225672562 WDMOMCRGJGTGSV-JOCHJYFZSA-N 374.525 4.085 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1snnc1-c1ccc(F)cc1 225781552 GLHVYMJEHFKLPA-ZDUSSCGKSA-N 355.438 4.095 0 40 FIAB Fc1ccc(C2(CNC(=S)Nc3ccc4c(c3)OCO4)CCCC2)cc1 225810189 ZFNSHTXSKCHCDC-UHFFFAOYSA-N 372.465 4.353 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)s1 225855445 MCMAQVIPQNJXKK-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB CC[C@@H](C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257259105 KWVKLSFONHDZLR-QGZVFWFLSA-N 352.478 4.003 0 40 FIAB CC(C)Cn1cnc2c1C1(CCN(CC3CC3)CC1)Oc1ccccc1-2 306125734 DADYHYMKJNOZSG-UHFFFAOYSA-N 351.494 4.300 0 40 FIAB COCCOc1ccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 390831917 VXOPHRFDKWEPKY-QGZVFWFLSA-N 365.539 4.238 0 40 FIAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408667992 QRRIDBSLJPBMOS-AEFFLSMTSA-N 365.473 4.499 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1 408708424 QBNZVMUNLFXTSD-FQEVSTJZSA-N 364.489 4.042 0 40 FIAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccccc2)c1 408738975 XKQQLQOOXBCSBS-NRFANRHFSA-N 374.440 4.333 0 40 FIAB O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 409269282 AORIUXWXOVIYRP-UHFFFAOYSA-N 369.233 4.102 0 40 FIAB CC(=O)N1CCC[C@H](NCCc2ccccc2C)[C@@H]1Cc1ccc(C)cc1 585283722 CBPIGDIIKPUIIB-ZEQRLZLVSA-N 364.533 4.058 0 40 FIAB C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)CC1 624745123 INCIZUAVGIXRSV-ZOWXDCFTSA-N 372.512 4.015 0 40 FIAB CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 646414 DHAIQIHHCWKLSY-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB CCCC(=O)Nc1nc(-c2ccc3c(c2)N(C(=O)CCC)CC3)cs1 1347258 IAZGDOXSDLEFIN-UHFFFAOYSA-N 357.479 4.238 0 40 FIAB CCCCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1 1914186 LTNHFBRYGPJOHM-VGOFMYFVSA-N 352.434 4.476 0 40 FIAB C[C@@H]1CCc2sc3[nH]c(SCC(=O)c4ccccc4)nc(=O)c3c2C1 2372355 FRILEPNLFIAVMR-LLVKDONJSA-N 370.499 4.084 0 40 FIAB O=c1c2c(nc(SCc3ccc(F)cc3)n1-c1ccccc1)CCS2 2459458 INCVHCGNJYLAAE-UHFFFAOYSA-N 370.474 4.312 0 40 FIAB O=S(=O)(NCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 3333815 BPYHTURVDOYQDG-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB COc1cccc(NC(=O)CSc2nccn2-c2cc(C)ccc2C)c1 4248633 BJXYXKKDKHTVOO-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 4816603 CTTRQPZQPKODHM-ROUUACIJSA-N 370.815 4.158 0 40 FIAB C[n+]1ccc(/C=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 4932966 IPMHLXIXNYMRBZ-UHFFFAOYSA-N 374.508 4.039 0 40 FIAB Cc1ccc([C@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccccc2)o1 5483735 HGKJGDFEPSMEBE-QFIPXVFZSA-N 374.440 4.326 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(Br)c(C(F)(F)F)c1 6235568 SWYKKPKPYLZOLT-UHFFFAOYSA-N 374.156 4.485 0 40 FIAB CCOc1ccc(OCCCC(=O)Nc2ccccc2OC(F)F)cc1 6617361 GKLSGOGTGFKMAZ-UHFFFAOYSA-N 365.376 4.484 0 40 FIAB COc1ccc(C)cc1C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 7083716 JVSRKVKDYQJPCM-CQSZACIVSA-N 351.402 4.222 0 40 FIAB Cc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 7378168 DGKSULPDBZSFKS-UHFFFAOYSA-N 363.788 4.146 0 40 FIAB O=C(CSc1nnc(C2CC2)n1C1CC1)C12CC3CC(CC(C3)C1)C2 7851655 RRCJDSMBYIUENJ-UHFFFAOYSA-N 357.523 4.368 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2F)N1C1CC1 7886150 OXEJENQOAKRHAJ-MRXNPFEDSA-N 361.214 4.317 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1cccc(Oc2ccccc2)c1 7923964 FVGDMSMJJLBARG-UHFFFAOYSA-N 360.457 4.471 0 40 FIAB O=C(NCc1ccco1)c1ccccc1NCCOc1ccc(Cl)cc1 8026078 ATRMGOVPLMNVRR-UHFFFAOYSA-N 370.836 4.354 0 40 FIAB Cc1cc(C)cc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)c1 8335677 BMBDAGJQPXPQTO-UHFFFAOYSA-N 368.502 4.092 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NCCC1=CCCCC1 8746445 KLBJVFLIALQEQD-GOSISDBHSA-N 355.526 4.484 0 40 FIAB Cc1ccc(CN(C)C(=O)CSc2ncnc3c2oc2ccccc23)o1 8881229 FCOJAKXMIOGFJH-UHFFFAOYSA-N 367.430 4.028 0 40 FIAB COc1cc(C(=O)N[C@H](C)C2CC2)ccc1OCc1ccccc1Cl 9533500 CAHIOKIHMZJPRO-CYBMUJFWSA-N 359.853 4.456 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3F)cs2)cc1 9836413 ZQPAXIFKGDMXEX-UHFFFAOYSA-N 356.422 4.351 0 40 FIAB CCCCC1CCC(C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 9887536 CLJTZKFUKRBOEL-UHFFFAOYSA-N 363.498 4.325 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C 10112654 SUOAQCKMIXMCHX-UHFFFAOYSA-N 361.463 4.126 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3OCC)no2)cc1 11915145 XGSYCQWOIOENMS-UHFFFAOYSA-N 352.390 4.391 0 40 FIAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc(F)c(C)c3)o2)cc1 11984732 PVAQZSCWJMIAIM-UHFFFAOYSA-N 352.409 4.347 0 40 FIAB Cc1cc(C(=O)Nc2nc(C)c(Cc3ccc4c(c3)OCO4)s2)c(C)o1 12779991 SVUFAEYRZLSVIH-UHFFFAOYSA-N 370.430 4.233 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)c2ccc(OC)c(OC)c2OC)CC1 12824869 NNCMSWYKTIOQSL-UHFFFAOYSA-N 363.498 4.437 0 40 FIAB CCc1sc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1C 12973367 UGPUKVWRIWKPLE-UHFFFAOYSA-N 358.507 4.255 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)CCc2ccc(-c3ccccc3)o2)c1 12999390 WITORTSPKOUQEN-UHFFFAOYSA-N 362.429 4.220 0 40 FIAB CN(C)[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccsc1 13011199 XWOAPCFNZZPVKY-OAQYLSRUSA-N 364.514 4.377 0 40 FIAB c1ccc(OCCCCN2CCN(c3nsc4ccccc34)CC2)cc1 13720232 NDRRBRVPGNUACG-UHFFFAOYSA-N 367.518 4.278 0 40 FIAB CCOc1ccc([C@H]2CCCN2Cn2nc3ccccn3c2=S)cc1 14187216 UECSBONMVQPGID-QGZVFWFLSA-N 354.479 4.059 0 40 FIAB O=C1[C@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1C1CCCCC1 16957204 LVDKTQXCQGIPRP-ZBFHGGJFSA-N 366.939 4.216 0 40 FIAB CNC1CCC2(CC1)CN(Cc1cccc(F)c1)Cc1ccccc1O2 19591988 GIWBDHPYYGBQRM-UHFFFAOYSA-N 354.469 4.121 0 40 FIAB Cc1ccc(NCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 19897529 FYKUPWCZBZXPBL-UHFFFAOYSA-N 369.881 4.210 0 40 FIAB CCOc1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 20042223 GBPMNSXXWJOZPO-UHFFFAOYSA-N 357.450 4.454 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 20451522 ZYMLVOFWEXMJSZ-UTKZUKDTSA-N 371.477 4.053 0 40 FIAB CCn1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)c2ccccc21 22234525 GIANUJMZBPMSTN-ZDUSSCGKSA-N 354.837 4.166 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cn2c3c(cccc3c1=O)CCC2 22235300 AHAPUPVPAACNIV-UHFFFAOYSA-N 372.346 4.219 0 40 FIAB Cc1ccc(-c2nc(CCNC(=O)COc3cccc(C)c3)cs2)cc1 27990192 QHIZTQXIIKRMPB-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CSCc2cc(C)cc(C)c2)cc1OC 30757485 YUMAWMVMTZQTNW-MRXNPFEDSA-N 373.518 4.431 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1cc(F)cc2cccnc12 31606810 JUENPZCWUUFFMI-UHFFFAOYSA-N 364.401 4.236 0 40 FIAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C[C@H]1C(=O)O 32098945 YCOKHLLBKVPWOZ-CFVMTHIKSA-N 353.846 4.202 0 40 FIAB in-vitro COc1ccc(NC(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 32610023 WBMBUOVOOYVAMZ-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB CCc1ccc(N2C(=O)/C(=C/C(C)=C/c3ccco3)C(O)=NC2=S)cc1 33860238 FOJNYPFXGAALFS-QKIOLIMFSA-N 366.442 4.460 0 40 FIAB CC(=O)N[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34513645 XAPSNYLSUGRKQO-MHYDGWTMSA-N 373.537 4.386 0 40 FIAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 35448419 MXNGVSYSZYFQIJ-HNNXBMFYSA-N 367.880 4.215 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CCC(Cn2cnc3ccccc32)CC1 38536071 OECNXWPGRCGHEL-UHFFFAOYSA-N 370.403 4.259 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 40122612 JODVFDFDKYFUQO-GOSISDBHSA-N 360.866 4.455 0 40 FIAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)Cc1ccccc1Cl 42050503 VXAPGCDZBNTBMB-UHFFFAOYSA-N 369.852 4.370 0 40 FIAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc(N2CCOC2=O)cc1 42940582 GGPVPXWIUBVDJY-GOSISDBHSA-N 370.474 4.366 0 40 FIAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44932968 CABHMTIXRDPSCZ-DENIHFKCSA-N 366.480 4.232 0 40 FIAB Cc1cc(C(=O)Nc2cc(C)c(Br)cn2)c2ccccc2n1 46085539 OJNYZZQVHJEJGZ-UHFFFAOYSA-N 356.223 4.261 0 40 FIAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 53356742 ZXIQYWLAYBIYIW-INIZCTEOSA-N 361.779 4.472 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 57188847 UJGYJCGFSQVSAD-XVGQJIODSA-N 374.481 4.436 0 40 FIAB C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc([S@@](C)=O)cc1)C1CC1 57250988 YGPPSLGNPNFWMT-RZFZLAGVSA-N 361.894 4.443 0 40 FIAB CC[C@H](C)NC(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58178068 SNVPBQPGSZIOKQ-LBPRGKRZSA-N 362.424 4.042 0 40 FIAB Cc1ncc(CSc2nnc(NCc3ccc(F)cc3)s2)s1 58368667 MQGYYOAFZVFGHW-UHFFFAOYSA-N 352.485 4.347 0 40 FIAB CCN1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)CC1=O 58735740 FUWJWPMHVJKHAB-CQSZACIVSA-N 372.852 4.248 0 40 FIAB O=C(NC[C@](O)(c1ccccc1)C1CC1)Nc1ccccc1C(F)(F)F 70969617 ZCRBJAFUJSQFKN-SFHVURJKSA-N 364.367 4.125 0 40 FIAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72349078 DHZXRIYTMUVTER-FQEVSTJZSA-N 357.457 4.472 0 40 FIAB CCc1cc(N2C[C@@H](C)OC[C@@H]2c2ccccc2)nc(-c2ccccn2)n1 75103580 LLZNGCYRUOJXSN-OXQOHEQNSA-N 360.461 4.067 0 40 FIAB COC1CCN(c2ccc(NC(=O)CCc3ccc(C)c(C)c3)cc2)CC1 96104485 VSDGDCULCVYCTB-UHFFFAOYSA-N 366.505 4.490 0 40 FIAB CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccsc1 96120643 GTDUOWZWWUDYFK-OAHLLOKOSA-N 357.397 4.203 0 40 FIAB Cc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211272 TWOBSODFODQEQF-UHFFFAOYSA-N 372.428 4.461 0 40 FIAB O=C1O[C@H]2[C@H](O1)[C@]1(c3ccccc3)O[C@]2(c2ccccc2)c2ccccc21 100494788 BFKQJUMZSIYBEW-JFJDKTSWSA-N 356.377 4.122 0 40 FIAB COc1cccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3nnnc3N2)c1 101119653 YGFFJRWZPOHRGQ-OAHLLOKOSA-N 374.231 4.045 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccsc2)c1[C@@H]1C(=O)Nc2ccc(C)cc21 101646304 GABVZHDBTABAEG-MRXNPFEDSA-N 366.442 4.231 0 40 FIAB CCc1ccccc1[C@H]1C(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2C1=S 101646683 QVZNOQCGOPFJCF-UXHICEINSA-N 360.482 4.151 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)N[C@H](c2ccccc2F)c2nccn2C)C1(C)C 195543928 GEYYXHYCGBGAQJ-CGTJXYLNSA-N 355.457 4.003 0 40 FIAB O=C(c1ccc(OCc2ccccc2)cc1)n1cc(CO)c2ccccc21 216959475 SYCPFDYTPSCYFG-UHFFFAOYSA-N 357.409 4.401 0 40 FIAB Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc3c(c2)OCO3)CCS1 219296528 VMYMSADXLBJGBO-LJQANCHMSA-N 370.474 4.436 0 40 FIAB CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)c(C)c3)n2)cc1 223011352 VPQWXHVMNHSSDM-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB COCc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 224535363 OFDUMNLIEMKCOH-UHFFFAOYSA-N 372.896 4.337 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225157321 BPMSYHDQQIHQRE-AWEZNQCLSA-N 370.474 4.358 0 40 FIAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 225306643 YBXYONAJGYYJPJ-HNNXBMFYSA-N 359.297 4.037 0 40 FIAB CCOc1ccc(C(=O)N(CC)Cc2nc(-c3cccs3)no2)cc1C 225492851 DOSDQYLYJSCHNZ-UHFFFAOYSA-N 371.462 4.168 0 40 FIAB O=C(NCc1cccc2ccccc12)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225679983 OBTDQJLUBKPTMH-IBGZPJMESA-N 374.440 4.268 0 40 FIAB O=C(N1CC[C@@H](Oc2ccccn2)C1)N(c1ccccc1)c1ccccc1 238883115 PPGUHXKECPLRMZ-HXUWFJFHSA-N 359.429 4.493 0 40 FIAB Cc1ncsc1C(=O)N1CCC(Cc2cccc3cccnc23)CC1 257284976 PFDFNVBTEJBAIC-UHFFFAOYSA-N 351.475 4.095 0 40 FIAB Cc1cc(C)nc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)n1 408623017 QMPJYTHMPWRGRE-UHFFFAOYSA-N 370.865 4.027 0 40 FIAB Cc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409052430 SHHGCYCBXZTZMD-ATVHPVEESA-N 357.406 4.249 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCC 409089640 OKXQFHHFSDENSU-UKTHLTGXSA-N 355.843 4.194 0 40 FIAB Cc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 984819 WPPMSWMBFGMDGE-UHFFFAOYSA-N 370.865 4.177 0 40 FIAB COC(=S)SCN(CSC(=S)OC)c1ccccc1Cl 1641345 YTCVLXFLSFLSLZ-UHFFFAOYSA-N 367.970 4.390 0 40 FIAB O=C(CSc1nnc2ccc3ccccc3n12)Nc1ccccc1Cl 1924273 BUPVYWQNWQEVNC-UHFFFAOYSA-N 368.849 4.267 0 40 FIAB Cn1c([C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)nc2ccccc21 2721575 SQZCMGDVNMGDMG-FQEVSTJZSA-N 373.431 4.426 0 40 FIAB O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1ccco1 2970186 ZWLCRPWEELTKBG-UHFFFAOYSA-N 366.417 4.469 0 40 FIAB CC(=O)[C@@H]1C[C@H](CC(=O)NC(=S)Nc2ccc3ccccc3c2)C1(C)C 3171865 BSAOKGVTDZDSLM-AEFFLSMTSA-N 368.502 4.294 0 40 FIAB Cc1ccc([C@H](NC(=O)N2CCCC2)C(Cl)(Cl)Cl)cc1F 3184213 YQZYYHOIITXJNH-LBPRGKRZSA-N 353.652 4.351 0 40 FIAB C[C@]1(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)CC1(Cl)Cl 3246256 DLOQFNOHHNCNAQ-GFCCVEGCSA-N 371.047 4.059 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c(C)c1 3316769 POYOZQMYGUFBIG-UHFFFAOYSA-N 368.458 4.028 0 40 FIAB Cc1ccc2nc(NC(=O)CCNC(=O)c3ccccc3Cl)sc2c1 3364912 WPTCHENSFZDWRS-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3402130 CFXVBCVXZBYMCZ-QGZVFWFLSA-N 359.425 4.388 0 40 FIAB CC(=O)Nc1cccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 5462161 ABSPCBSIRGQAKA-HNNXBMFYSA-N 362.429 4.054 0 40 FIAB CC(C)c1nccn1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 5644768 NVQOUIPHPHMOPI-UHFFFAOYSA-N 353.658 4.204 0 40 FIAB CC(C)N(C(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccccc1 5860005 IGKKYGPPQOKBMN-UHFFFAOYSA-N 352.463 4.005 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 5865325 QDGYTYFUYXVUDJ-LBPRGKRZSA-N 364.430 4.135 0 40 FIAB N#CC1(NC(=O)COc2ccc(Oc3ccccc3)cc2)CCCCC1 5937924 RVWDAHKNAAHSCY-UHFFFAOYSA-N 350.418 4.200 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1cccc(I)c1 6284876 PIAPUZCDRRCYIN-UHFFFAOYSA-N 371.605 4.126 0 40 FIAB Cc1ccc(CNc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 6805435 ZPXUXDBGESDWAW-UHFFFAOYSA-N 366.428 4.260 0 40 FIAB CCOc1ccccc1N(CC(=O)c1ccccc1)C1=NCCCS1 6870610 GOJSTATXWUSKDA-UHFFFAOYSA-N 354.475 4.268 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 7405709 FHXAFMVHQVFOGX-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB CSc1ccc(CC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 7597718 FOFNGYJPPLNGAR-UHFFFAOYSA-N 353.447 4.257 0 40 FIAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 7780216 LAVJQYWVJLSXDL-SFHVURJKSA-N 350.462 4.106 0 40 FIAB Cc1cc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)no1 7824291 ZXUYYJPUQZWHSG-UHFFFAOYSA-N 352.419 4.175 0 40 FIAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccoc3C)o2)c(C)c1 7825536 SCCOUIMHDWONNJ-UHFFFAOYSA-N 371.462 4.006 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1 7983525 JXERNNQSGCWPHB-SNVBAGLBSA-N 372.416 4.078 0 40 FIAB Cc1oc(C)c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1C 8419780 ALTJNBPBYFAPMP-UHFFFAOYSA-N 369.389 4.315 0 40 FIAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCCOC 9059789 CUHZQZLQZFXKQF-UHFFFAOYSA-N 354.454 4.033 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2csc(-c3ccsc3)n2)c1 9113048 MARFYXYUXVEOTL-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB COc1ccccc1Cc1nnc(NC(=O)CCCc2ccccc2)s1 9489227 BQKSCOKAZXYTSP-UHFFFAOYSA-N 367.474 4.099 0 40 FIAB C[C@H](OC(=O)Cc1ccc(F)cc1)c1nnc(-c2cccc(Cl)c2)o1 10022640 WIFQJWOAQHYGRS-NSHDSACASA-N 360.772 4.376 0 40 FIAB COc1ccc(CCNC(=O)CCc2ccc(C(C)C)cc2)cc1OC 10332745 DHYKMPMVHNINSO-UHFFFAOYSA-N 355.478 4.119 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1ccccc1OC)c1ccccc1Cl 11917288 RJTBNQGKLBYREH-GOSISDBHSA-N 360.885 4.162 0 40 FIAB CSc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 12038150 HIPGDTKSXDYZMH-UHFFFAOYSA-N 372.465 4.039 0 40 FIAB CCCCN(CC)C(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 12541978 FRDAILJRETXTHR-UHFFFAOYSA-N 374.506 4.058 0 40 FIAB O=C(c1cccs1)N(C(=S)OCc1ccccn1)c1ccccc1 13222910 STBJCOMJZRCVNI-UHFFFAOYSA-N 354.456 4.292 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 13634822 HUOHKRKTWUTGCI-GOSISDBHSA-N 351.406 4.262 0 40 FIAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1ccccc1Cl 13726527 PTPYQWJMCRWFOP-UHFFFAOYSA-N 357.866 4.010 0 40 FIAB O=C1C2=C(CCCC2)[C@H](NCc2cccs2)N1Cc1ccc(F)cc1 13899324 NLIZEKWOPKLVDC-LJQANCHMSA-N 356.466 4.216 0 40 FIAB C[C@@H]1CN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CCO1 14168657 DTNNDKGXAWOYBR-CQSZACIVSA-N 361.894 4.493 0 40 FIAB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 14464017 BTPSUWZNBIHOPI-SFHVURJKSA-N 373.408 4.001 0 40 FIAB Oc1cc(CSc2ccc(Cl)cc2)nn1-c1nc2ccccc2[nH]1 14607920 YICKIFFJDYZXBR-UHFFFAOYSA-N 356.838 4.400 0 40 FIAB C[C@H]1CCc2nc(NC(=O)CCc3ncc(-c4ccccc4)o3)sc2C1 14779939 AYXLGPUMLFUFBI-ZDUSSCGKSA-N 367.474 4.494 0 40 FIAB O=C(CCc1ccccc1)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640429 NIJVKPOJKKYEOS-UHFFFAOYSA-N 359.351 4.462 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 15643644 JTZDQPBXMVTHDX-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB CCOc1ccc(C(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832496 MQPMHYUNOFMDIH-UHFFFAOYSA-N 352.459 4.447 0 40 FIAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)o3)ns2)cc1 15859941 OHWYIUXKEFGBEC-UHFFFAOYSA-N 364.224 4.121 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N[C@H](c1cccnc1)C2 19550763 CXIQDUZWFXZWBP-UGKGYDQZSA-N 364.420 4.214 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(=O)O)cc1C 20352546 QABPXFAXADFKMX-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20494002 ZJJCFTZBAGFYKB-INIZCTEOSA-N 368.477 4.356 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 21325415 LTGFRSNAVFDOTC-UHFFFAOYSA-N 359.491 4.007 0 40 FIAB COc1ccc(Cl)cc1CN1c2cccc3cccc(c23)S1(=O)=O 21601523 XZIIITNJHKSTGU-UHFFFAOYSA-N 359.834 4.211 0 40 FIAB O=C1CCSc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2N1 22131728 AJSYXRQQPAAGMR-CQSZACIVSA-N 358.488 4.160 0 40 FIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1c[nH]c2ccccc2c1=O 22233926 LUUDLTPAGKURGO-UHFFFAOYSA-N 366.726 4.453 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(OC[C@@H]2CCCO2)cc1 22374630 WEVGDUIJFVYPHN-INIZCTEOSA-N 372.490 4.222 0 40 FIAB COc1cccc2sc(NC(=O)Cc3c(F)cccc3Cl)nc12 24552244 QCCOFKPXVKUTKN-UHFFFAOYSA-N 350.802 4.279 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 26864372 HDSWAJUESNOFGO-ZDUSSCGKSA-N 366.845 4.015 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 27581766 GQONCRCGWWMNMX-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 32907749 RMCAPZKUZNJJJS-CABCVRRESA-N 366.383 4.430 0 40 FIAB Cc1nnc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)s1 35291365 TUPFGKGHJLGVMM-UHFFFAOYSA-N 358.492 4.051 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)n2)cc1 38923304 CSBKFTVYTKOIOB-MRXNPFEDSA-N 367.836 4.215 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc2ccccc2o1 39980634 QROJJCXCHSZVSQ-HIFRSBDPSA-N 358.438 4.010 0 40 FIAB COc1ccc(C)cc1-c1csc(NC(=O)COC2CCCCC2)n1 40141544 JTFVIEQIAQVHDS-UHFFFAOYSA-N 360.479 4.415 0 40 FIAB CCCOc1ccc2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc2c1 41095256 WWDMODXOAHOASI-FOIQADDNSA-N 361.507 4.486 0 40 FIAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCCC(C)C)ccc32)c1 46078734 MSDSXBBZIYHMDG-UHFFFAOYSA-N 364.489 4.364 0 40 FIAB C[C@H]1CCN(C(=O)c2csc(-c3ncccn3)n2)c2ccccc2S1 47208495 ZQDONKGDNHWPIC-LBPRGKRZSA-N 368.487 4.131 0 40 FIAB COC(=O)c1cccc(NCC(=O)Nc2ccccc2Cc2ccccc2)c1 48373911 YXHDDUJSELNIQG-UHFFFAOYSA-N 374.440 4.115 0 40 FIAB CC(=O)Nc1cccc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2 54125372 XCGJUHGWODIKBZ-UHFFFAOYSA-N 369.774 4.275 0 40 FIAB Cc1cc(C)n2cc(CSc3nccn3-c3cccc(C)c3C)nc2n1 58357839 FNVPIGDLTCFTJD-UHFFFAOYSA-N 363.490 4.441 0 40 FIAB C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1cccnc1 60424223 OJKZKVJLANEIEK-SNVBAGLBSA-N 361.268 4.483 0 40 FIAB C[C@@H](OC(=O)CSc1cnc2ccccc2n1)c1ccc(F)cc1F 60587006 YBEFLUXYZXNBJI-LLVKDONJSA-N 360.385 4.305 0 40 FIAB C[C@@H]1C[C@@H](Sc2ncnc3scc(-c4ccc(F)cc4)c23)C(=O)O1 60889975 NZNQROHQKFLTCZ-NOZJJQNGSA-N 360.435 4.294 0 40 FIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C)cc2)cc1 72328981 IVDIHIVYRSAVMW-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3oc4ccccc4c3C)C[C@H]21 72392541 WUSNPUKCCLSMGL-GWJPWWOOSA-N 362.473 4.174 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)c3ccc(C(=O)OC)o3)n2)cc1 83825250 RTSPREJTULLQOA-NSHDSACASA-N 357.435 4.267 0 40 FIAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1cc(-c2ccco2)on1 96104072 MYLHSDCRBIJXIO-UHFFFAOYSA-N 366.421 4.054 0 40 FIAB CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(Cl)cc1 96191649 PWMHNPRPFWTIFQ-MRXNPFEDSA-N 356.809 4.156 0 40 FIAB CSc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102675775 IIQWAZWZMBKQFM-OAHLLOKOSA-N 358.492 4.393 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 219514753 OPRGKJWCICIAKZ-LPHOPBHVSA-N 353.462 4.489 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1C 224394370 ATIZDLCIVDVZHQ-RTBURBONSA-N 366.465 4.045 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COC(C)C 224717942 OVCPHHJSVRTCBF-UHFFFAOYSA-N 373.449 4.280 0 40 FIAB COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OC 225682762 SDNQNDMDWUXXFL-UHFFFAOYSA-N 371.408 4.071 0 40 FIAB COc1cccc(NC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 225762163 RUOILCLMIXQFMV-UHFFFAOYSA-N 367.449 4.355 0 40 FIAB Cc1ccccc1COc1c(Cl)cc(C(N)=O)cc1Br 226340455 IMLWWLZYIYJIFL-UHFFFAOYSA-N 354.631 4.089 0 40 FIAB Cc1cc(N)c(NC(=O)Cc2ccc(Br)cc2)cc1Cl 226346886 HOCSTQUNLIZGAC-UHFFFAOYSA-N 353.647 4.174 0 40 FIAB Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c2sccn12 257294250 QTFLUKQMOWCLIR-INIZCTEOSA-N 357.454 4.140 0 40 FIAB O=C(C[C@@H]1C=CCC1)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257326548 WXPOWOIDWMQBRJ-QGZVFWFLSA-N 362.477 4.283 0 40 FIAB Cc1c(C(=O)NCCOc2ccccc2)oc2cc(Br)ccc12 526052295 STPYWDIUQPCYCL-UHFFFAOYSA-N 374.234 4.313 0 40 FIAB O=C(c1cccc(Cl)c1Cl)N1CC[C@H](n2cnc3ccccc32)C1 575617794 RBPMPQJCKUNQLX-LBPRGKRZSA-N 360.244 4.430 0 40 FIAB O=C(NC[C@H](c1ccco1)c1cccs1)c1cc(=O)c2ccccc2o1 585146721 GZPHWWVHLGVTIK-CQSZACIVSA-N 365.410 4.009 0 40 FIAB Cc1ncsc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615157028 LVGLRVLLXSRAQY-PBHICJAKSA-N 373.497 4.110 0 40 FIAB O=C(NCc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977233 HCJHEVKPMYGDAY-GOSISDBHSA-N 370.449 4.087 0 40 FIAB C[C@@H]1[C@@H](c2ccc(F)c(F)c2)CCN1[C@H](C(=O)O)c1ccc(F)c(F)c1 1776589217 ROJJFEVOTVDMPL-LNSDYSHSSA-N 367.342 4.247 0 40 FIAB CC1(c2nccs2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1848353898 YHKXJIKIDAMCKM-UHFFFAOYSA-N 353.491 4.137 0 40 FIAB Brc1cc2c(cc1CSc1nccn1C1CC1)OCCO2 11894245 CLALSLQGCYTLDW-UHFFFAOYSA-N 367.268 4.044 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCCc3ccccc32)cc1 2661329 DACPBHPXOQGMKZ-NRFANRHFSA-N 351.446 4.242 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1C 869057 MNQXZXHVIPLSFE-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CC(C)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901066 SRJIQJOOYDREQM-LLVKDONJSA-N 369.412 4.168 0 40 FIAB CC(=O)c1c(C)cc(C)c(CSc2nnn(-c3ccccc3)n2)c1C 1083201 JVOFXAVCTQHJEP-UHFFFAOYSA-N 352.463 4.082 0 40 FIAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5)c4ncn3n2)cc1 21801104 DLCOZQCMXFRBCF-UHFFFAOYSA-N 369.428 4.361 0 40 FIAB Cc1cccc(S[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)c1 84213128 JULURZHQLLCYLJ-GOSISDBHSA-N 357.450 4.448 0 40 FIAB COc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1Cl 6847089 INGLZVGTODGPQS-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB CCCc1nnc(SCC(=O)Nc2cccc3ccccc23)n1CC 7610310 VUSOTBDYYNVCGP-UHFFFAOYSA-N 354.479 4.135 0 40 FIAB Cc1cc(C)nc(SCc2nc3scc(C)n3c2Br)n1 1240846 AZXHOWSIPDPIOH-UHFFFAOYSA-N 369.313 4.166 0 40 FIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(F)cc1Br 24886455 KTMYIVUZGITYDR-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)NCc1ccccc1OC(F)(F)F 24925598 UCABFPDKUAZJDK-CYBMUJFWSA-N 352.356 4.454 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)cc1 61719683 YCPSSEQAYZVVLW-UHFFFAOYSA-N 362.433 4.206 0 40 FIAB CC(C)(C)OC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 1447912 UQQWXHBIKOUNJL-UHFFFAOYSA-N 352.386 4.181 0 40 FIAB biogenic CC(C)CC(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 28048039 BAEVGIIVEZMHJS-FQEVSTJZSA-N 356.853 4.256 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H](C)[C@@H]2Sc3ccccc3NC2=O)cc1 27233099 SAMRIAXKPKZKQJ-UGSOOPFHSA-N 354.475 4.498 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10186268 PBKSCKMTDCTMCA-INIZCTEOSA-N 365.477 4.123 0 40 FIAB O=C(Nc1cnn(Cc2ccncc2)c1)Nc1cc(Cl)ccc1Cl 58200774 DVJOLDAPDKUPNA-UHFFFAOYSA-N 362.220 4.277 0 40 FIAB CCn1c(NC(=O)c2cc(-c3cccc(F)c3)no2)nc2ccccc21 48272237 YWPJCEWBOHIIEO-UHFFFAOYSA-N 350.353 4.103 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC)cc1 20462340 LZWPIDGXRKXXKI-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12866704 UEUINMMDZQCLDT-SCUMNGBJSA-N 368.521 4.470 0 40 FIAB CCCC[C@H](CC)CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O 3960026 NGYKGQMJLKWUGF-KRWDZBQOSA-N 372.509 4.176 0 40 FIAB CC(C)OC(=O)Cc1nc(CN2CCCSc3ccccc32)cs1 63741127 LMXPNVSQJGRBGQ-UHFFFAOYSA-N 362.520 4.140 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3)n2)cc1 5179994 SVWBDRJYRHQKOP-CYBMUJFWSA-N 352.463 4.153 0 40 FIAB CCCCC12CN3CC(C)(CN(C1)C3c1cn(CC)c3ccccc13)C2=O 19322820 VHJWQMUGOBJFQY-UHFFFAOYSA-N 365.521 4.057 0 40 FIAB biogenic CCC(=O)c1ccc(OCC(=O)N[C@H]2CCSc3ccc(F)cc32)cc1 14254975 CFLZVVKFCUTBIT-KRWDZBQOSA-N 373.449 4.151 0 40 FIAB CC(=O)CCc1ccc(OCCN2CCCC[C@H]2c2cccnc2)cc1 6624659 GQRMDNLGTXJRTK-QFIPXVFZSA-N 352.478 4.209 0 40 FIAB biogenic COc1ccc(NCC(=O)Nc2ccccc2Cl)cc1OC(F)F 23902509 BFHAHERQTSYHCQ-UHFFFAOYSA-N 356.756 4.001 0 40 FIAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 4704907 HPLGKOIURYRHMF-SFQUDFHCSA-N 370.836 4.222 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Oc2ccccc2)cc1 6790584 MIMLEULZNLYFSU-UHFFFAOYSA-N 361.397 4.431 0 40 FIAB Cc1cc(C)c2nc(NS(=O)(=O)c3ccc(Cl)s3)sc2c1 7055260 LFTUHWBAVMYONG-UHFFFAOYSA-N 358.897 4.429 0 40 FIAB Cc1cccc2cc3c(nc12)N(C(=O)COc1ccc(Cl)cc1)CC3 15842030 LMXHHQOSQQTBMD-UHFFFAOYSA-N 352.821 4.165 0 40 FIAB COc1ccc2c(c1)N(C(=O)c1oc(-c3ccccc3)nc1C)C[C@H](C)O2 81463833 MZFUYIOPRDUYNJ-ZDUSSCGKSA-N 364.401 4.086 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 8231151 ZYBLXIJSXGEWAR-NSHDSACASA-N 359.476 4.295 0 40 FIAB CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2C2CCCCC2)cn1 70006833 KLAMKALXTCUGDO-IBGZPJMESA-N 358.530 4.182 0 40 FIAB Cc1ccc(C)c(-n2c(-c3sc4ncccc4c3N)n[nH]c2=S)c1 19894292 UOJKZXBQQIMZIE-UHFFFAOYSA-N 353.476 4.406 0 40 FIAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 8492578 RCUVHYXQTQQCCL-LBPRGKRZSA-N 367.276 4.461 0 40 FIAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc4n3CCCCC4)o2)c1 9592114 KLILZWYJCOEYKU-CYBMUJFWSA-N 355.467 4.216 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)CCC(=O)Nc1cc(N)ccc1F 72309079 MQHAGTLODIMPDI-CYBMUJFWSA-N 355.413 4.176 0 40 FIAB Cc1nc(C(=O)N2Cc3ccccc3-c3nc(C(C)C)ncc3C2)cs1 306131914 KSTXHKCBGGGDAL-UHFFFAOYSA-N 364.474 4.188 0 40 FIAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 408620699 IWPUAUYLZLQLQY-UHFFFAOYSA-N 374.440 4.437 0 40 FIAB Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(F)cc3)n2)cc1 67898656 MGZCJVUVECSTEW-FQEVSTJZSA-N 351.425 4.098 0 40 FIAB biogenic,in-vitro CCOc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1CC 408527015 IYWUHZXAKFWBGG-UHFFFAOYSA-N 367.474 4.339 0 40 FIAB c1ccc(CCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333564 KGAZCQILDBPJRV-UHFFFAOYSA-N 364.518 4.439 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Nc2ccccc2Br)CC1 36878875 VULMUWBVTRHXFN-UHFFFAOYSA-N 355.276 4.261 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccccc2F)c1 219543224 CSKLUFJDUCFWAG-MRXNPFEDSA-N 361.482 4.259 0 40 FIAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72349134 MIHZSVBQFYWGAS-HXUWFJFHSA-N 357.457 4.472 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3ccccc3OC(C)C)s2)cc1 225383762 NCGWPYKZBSGSGZ-UHFFFAOYSA-N 369.446 4.253 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225730812 NHNZBRNNZCAJTN-NRFANRHFSA-N 362.514 4.085 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1 226268137 ADEPSIBJMUACRH-UHFFFAOYSA-N 353.466 4.300 0 40 FIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O 224590550 LPXDLHCZNSNVEV-SJORKVTESA-N 367.499 4.334 0 40 FIAB CCCCOCc1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1OC 224438963 ZXQAVEKTVQFOHM-UHFFFAOYSA-N 373.449 4.281 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc(C(F)(F)F)c1 225615792 NHTQDZXSAFSEKQ-HNNXBMFYSA-N 367.367 4.188 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(OC)c3)N21 222646550 OQOJDEFNAWCCCX-MDASCCDHSA-N 369.490 4.078 0 40 FIAB O=C(CCCC(=O)c1ccccc1)NCc1ccnc(-c2cccs2)c1 225650904 MYEDIRDAEGXUFN-UHFFFAOYSA-N 364.470 4.480 0 40 FIAB CC(C)c1csc([C@H]2CCCN(Cc3ccsc3C(=O)O)C2)n1 571291912 WUKGRTOTPHZZKF-ZDUSSCGKSA-N 350.509 4.406 0 40 FIAB Cc1cc(S(=O)(=O)n2c(C)nc3ccccc32)c(Cl)cc1Cl 48044465 QWXQKZBLQDMUHK-UHFFFAOYSA-N 355.246 4.197 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)COc3cc(C)cc(C)c3C)ccc21 225102212 FZUUIHUBFSNEHO-UHFFFAOYSA-N 370.474 4.026 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(OC)cc1 44847868 CGMPIPBEPNDKQY-KRWDZBQOSA-N 371.861 4.058 0 40 FIAB Brc1nc(-c2ccccc2)ccc1I 145388971 LYHCYSXEUZSMAR-UHFFFAOYSA-N 359.992 4.116 0 40 FIAB COc1ccc(-c2cncc(C(=O)N3CCC=C(c4cccnc4)C3)c2)cc1 581337269 COBNTHQTJWYMMM-UHFFFAOYSA-N 371.440 4.082 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1 45209787 XVAUQMOGZLUEQB-NQIIRXRSSA-N 354.538 4.125 0 40 FIAB biogenic O=C(Nc1cccnc1)c1ccc(OC(=O)c2ccc3cc[nH]c3c2)cc1 66036424 ZZFAADMDSFHFSE-UHFFFAOYSA-N 357.369 4.034 0 40 FIAB O=Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 98210683 JKUNFYDSBSPOOV-MRVPVSSYSA-N 367.039 4.065 0 40 FIAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1C(C)C 13995573 WSBFGIFMOGHSIQ-UHFFFAOYSA-N 373.309 4.459 0 40 FIAB CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1/C=C/c1ccccc1 5460942 JJJYFEJNOXLMRB-OUKQBFOZSA-N 353.418 4.222 0 40 FIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 6392926 BCSSDKLAULTIBD-MDZDMXLPSA-N 360.379 4.067 0 40 FIAB COc1ccc(Oc2c(C)oc3cc(OC(=O)C4CC4)ccc3c2=O)cc1 2418593 ZWAUYUUUGUSCDM-UHFFFAOYSA-N 366.369 4.218 0 40 FIAB biogenic C[C@H](NC(=O)N1CCn2c(cc3cc(Cl)ccc32)C1)c1nccs1 583680691 ZEBWHLYAIVPSRO-NSHDSACASA-N 360.870 4.038 0 40 FIAB Cc1c(C(=O)NCc2ccc3c(c2)OCCO3)oc2c(Cl)cccc12 17858627 WQFNNKVICIMSTE-UHFFFAOYSA-N 357.793 4.096 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccc(F)cn2)CN1c1cccc(F)c1 2037988544 TYSSPPDIVMAADY-NRFANRHFSA-N 371.431 4.024 0 40 FIAB Cc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)ccc1Br 4163263 FIYKXMQRCJQGJI-UHFFFAOYSA-N 357.207 4.060 0 40 FIAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCc1ccccc1 8853948 XMJOFPRYWMTBCM-UHFFFAOYSA-N 372.490 4.433 0 40 FIAB CCOC(=O)[C@@H]1C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 39295337 UJAQRLRRCXIJFW-DWLFOUALSA-N 352.478 4.239 0 40 FIAB in-vitro O=C(NCc1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165920 KUNLNWPSSVPXDX-MOPGFXCFSA-N 367.449 4.046 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 100071975 NJZLGCCEYJZWRH-CQSZACIVSA-N 369.635 4.391 0 40 FIAB O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccsc1 40145790 QODWSHZVVGSNCK-UHFFFAOYSA-N 353.399 4.308 0 40 FIAB Cc1ncc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)s1 40157807 BAZBRARTCWHBHK-UHFFFAOYSA-N 372.306 4.023 0 40 FIAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2cc(Cl)ccc2o1 20591869 OUPXYTAGBBKSGC-UHFFFAOYSA-N 370.836 4.171 0 40 FIAB CN1CCCC[C@H]1CCSc1nnc(NCCc2cccs2)s1 32854540 OIHYORSZUVHICN-ZDUSSCGKSA-N 368.597 4.221 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3F)n2)c1 912301 ACVVEEIPQFZLPO-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB O=C(NCc1ccco1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 938258 ZELWEMXCCPDKMG-UHFFFAOYSA-N 371.396 4.039 0 40 FIAB CCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1C 2062817 ARZVAKXVVDLYQP-UHFFFAOYSA-N 364.445 4.162 0 40 FIAB Cc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 2253397 WVQAICXMUXNEPE-UHFFFAOYSA-N 374.444 4.277 0 40 FIAB O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCc2ccccc2C1 3205148 GUNQOZRFBCLYMX-DEOSSOPVSA-N 373.496 4.212 0 40 FIAB O=C(Nc1ccc(SC(F)F)cc1)c1cncc(Br)c1 3231104 GMCLKNWPCGVYRI-UHFFFAOYSA-N 359.195 4.411 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3344364 SQEOSOVHHCCSEH-UHFFFAOYSA-N 367.417 4.060 0 40 FIAB COc1cc(CCC(=O)Oc2ccc3ccccc3c2)cc(OC)c1OC 3560086 YQPCTUKWTGQJEW-UHFFFAOYSA-N 366.413 4.404 0 40 FIAB Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1 4089258 MLQZYJDTOYUPNU-UHFFFAOYSA-N 367.758 4.063 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccs1 4305487 YCLVNWJSCABGMX-INIZCTEOSA-N 354.500 4.343 0 40 FIAB Cc1ccc(NC(=O)COc2cc3oc(=O)c(C)c(C)c3cc2Cl)cc1 4749183 HZZGKKYHRCQIMM-UHFFFAOYSA-N 371.820 4.389 0 40 FIAB CCCCCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(OC)cc3)no2)C1 4890176 TWKSZHAPXNHITR-QGZVFWFLSA-N 371.481 4.422 0 40 FIAB Cc1ccc(-c2nc3c4cnn(-c5ccc(C)cc5C)c4ncn3n2)cc1 5156073 WEVFXHPKTFCMSR-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB Cc1nc(SCC(=O)N[C@@H]2CCCc3ccccc32)n(CC(C)C)c1C 5262857 MNERFROEERUSEU-LJQANCHMSA-N 371.550 4.442 0 40 FIAB COc1ccc(NC(=O)COc2ccccc2-c2ccccc2)c(OC)c1 5461727 UWUJHGWZLCQSEX-UHFFFAOYSA-N 363.413 4.388 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(Oc2cccnc2)cc1 5658400 NOFPTQAWENCXHM-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB CC(C)C(=O)Nc1cccc(NC(=O)COc2cccc3ccccc23)c1 5841708 NQEQVLPUGQZTLF-UHFFFAOYSA-N 362.429 4.452 0 40 FIAB Sc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 6104875 FCAIJDYELKAROK-UHFFFAOYSA-N 370.528 4.409 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 6342156 QJXIPAUIBZYOEH-UHFFFAOYSA-N 372.421 4.365 0 40 FIAB Cc1ccc(NC(=O)[C@@H](Sc2cccc[n+]2[O-])c2ccccc2)cc1 6502127 WLLNKJZEFVFSGS-IBGZPJMESA-N 350.443 4.101 0 40 FIAB O=C(c1cnc2ccccc2n1)N1CCC(c2nc3ccccc3s2)CC1 6653794 MMOMJSQPMXJFIO-UHFFFAOYSA-N 374.469 4.259 0 40 FIAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1c(F)cccc1F 7909593 CPXRUPRYDBXDMK-HNNXBMFYSA-N 373.428 4.350 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1cc3c(s1)CCCCC3)CC2 8076577 BSAQVUVSSMPQEN-UHFFFAOYSA-N 371.502 4.233 0 40 FIAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8093788 BYNLMLPBHAAALI-ZDUSSCGKSA-N 355.463 4.175 0 40 FIAB Cc1cc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Cl 8336210 UUTZUZUUSOANSY-UHFFFAOYSA-N 361.869 4.347 0 40 FIAB NC(=O)CCN(C(=O)c1ccc2ccccc2c1)c1ccccc1Cl 8728101 WNGWEZHHWBRGED-UHFFFAOYSA-N 352.821 4.015 0 40 FIAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(Br)cc1C 9220862 MKRHKDWVICHEPI-UHFFFAOYSA-N 361.239 4.011 0 40 FIAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc1 9419351 VAWIMZYBNZEYBH-UHFFFAOYSA-N 363.417 4.266 0 40 FIAB Cc1ccc(Cn2nc(C)c(C(=O)NOCc3ccccc3)c2Cl)cc1 10318665 XWIIJMFPCPYJCS-UHFFFAOYSA-N 369.852 4.063 0 40 FIAB COc1cc(NC(=O)CN2CCC[C@H]2c2ccccc2)c(OC)cc1Cl 10340822 UPKNMXMNOWZYCT-KRWDZBQOSA-N 374.868 4.133 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)C 10684123 WRPROXPZCPOKJN-INIZCTEOSA-N 368.477 4.356 0 40 FIAB COc1ccc(-c2cc(CSc3nnc(-c4ccco4)n3C)on2)cc1 11235789 ZCLLVPCGCFPIMD-UHFFFAOYSA-N 368.418 4.031 0 40 FIAB COc1cccc(-c2cc(CC(=O)Nc3ccc(C)c(Cl)c3)no2)c1 11693189 OKNOAKAHYUWYIS-UHFFFAOYSA-N 356.809 4.493 0 40 FIAB O=C(O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 11962371 WESKIUVJFRPHRF-XBXARRHUSA-N 351.171 4.265 0 40 FIAB Cc1cc(-c2snnc2C2CCN(Cc3ccc(C)s3)CC2)on1 12223979 LYTKPZLQJUPFSN-UHFFFAOYSA-N 360.508 4.251 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c1C 12817776 LGEFVBOBBIVSGR-XSXQVXRUSA-N 371.477 4.165 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2ccc(F)cc2)cc1 16311557 USUIDJQOUUMIFA-UHFFFAOYSA-N 372.407 4.111 0 40 FIAB Cc1ccccc1Nc1nc(N2CCCC2)nc2c1cnn2-c1ccccc1 17136008 KIADEXRSYKNLLT-UHFFFAOYSA-N 370.460 4.468 0 40 FIAB CNC(=O)[C@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1 19297157 UOJOJIUJVJMXDX-ZDUSSCGKSA-N 352.459 4.137 0 40 FIAB Cc1ncsc1-c1nnc([C@@H]2CCCN2C(=O)CC2CCCCC2)o1 19562896 BLHMOQOEQNDLQK-AWEZNQCLSA-N 360.483 4.135 0 40 FIAB COc1cc(OC)c(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1Cl 20538253 YHEGDEVMSBDESB-JTQLQIEISA-N 352.793 4.379 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1c[nH]c2ccccc12 21156941 IFGAIBQSXQKTEI-UHFFFAOYSA-N 373.412 4.010 0 40 FIAB COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)ccc1C 22295701 BFJYYPJIGYJWMX-OKILXGFUSA-N 373.522 4.190 0 40 FIAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC(C)CC3)c(O)n2n1 22853316 LOCMKURUYDFYQO-MRXNPFEDSA-N 374.485 4.019 0 40 FIAB COc1c(N)cc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1N 26509199 LBDJZNNHWNCXEE-UHFFFAOYSA-N 362.227 4.047 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1cnn(Cc2ccccc2)c1 28226770 NMHOOENFLMSGCA-UHFFFAOYSA-N 357.413 4.102 0 40 FIAB CCOc1ccccc1NC(=O)c1ccn(COc2ccccc2Cl)n1 28238970 QARSPAFIOVYSTK-UHFFFAOYSA-N 371.824 4.224 0 40 FIAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 28243387 QHDQZVPKNHIPFD-UHFFFAOYSA-N 366.442 4.066 0 40 FIAB O=C(NCCc1ccccc1F)c1cc2cccc(Br)c2o1 31701197 NFCJHWIOGBQUNM-UHFFFAOYSA-N 362.198 4.307 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3ccc(F)c(F)c3)n2)cc1 31848966 CARDJYVWVWZMBM-UHFFFAOYSA-N 374.412 4.069 0 40 FIAB CCCCC(=O)Nc1cc(Br)c(O)c(Br)c1 32116801 IDFBHYZHVWKIMV-UHFFFAOYSA-N 351.038 4.046 0 40 FIAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cc(C)nn4C)cc3)o2)c1 40087252 CCDUQRJSUKZLKO-UHFFFAOYSA-N 373.416 4.006 0 40 FIAB Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)cn1 40110707 VPOJGZYPBJLATB-UHFFFAOYSA-N 363.364 4.107 0 40 FIAB COc1ccc(-c2cc(C(=O)N(C)CC3CC3)nn2-c2ccccc2)cc1 55521921 YYZLFVOAXMTYQV-UHFFFAOYSA-N 361.445 4.030 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)n[nH]2)c(OC)c1 57412844 XPZMXRHHQUGUAW-UHFFFAOYSA-N 365.433 4.470 0 40 FIAB Cc1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1NC(=O)c1ccco1 58168784 HKQQRIAONPHPEQ-UHFFFAOYSA-N 366.421 4.113 0 40 FIAB CC(C)N(C)CC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 58331024 IRRHZCBQVMRVQK-UHFFFAOYSA-N 367.493 4.066 0 40 FIAB NC1=N[C@H]([C@H](O)c2ccccc2)[C@@H](c2ccc(Cc3ccccc3)cc2)S1 59500961 YERVHPOPRCNVGW-YPAWHYETSA-N 374.509 4.482 0 40 FIAB O=C(CCc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165864 SPKLWPJLZXQOQW-PMACEKPBSA-N 366.461 4.295 0 40 FIAB C[S@](=O)Cc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 78399630 WACSGSSMNPMMQD-HSZRJFAPSA-N 362.501 4.002 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1cccc(OCc3ccccn3)c1)SCC(O)=N2 79489387 FRRLECVYFPMVCU-GOSISDBHSA-N 366.446 4.116 0 40 FIAB Cc1ccc2c(c1)N(C(=O)c1cnc(C)c(Cl)c1Br)CC2 95444734 SMDDZSOMLHTXBC-UHFFFAOYSA-N 365.658 4.317 0 40 FIAB O=C(N[C@H]1CCN2CCC[C@@H]2C1)c1cc2ccccc2n1Cc1ccccc1 95953038 AYMDAKIPQXELNI-LEWJYISDSA-N 373.500 4.046 0 40 FIAB Fc1cccc(-c2ccc3c([C@@H]4CCCN4Cc4ccncc4)nnn3c2)c1 96156563 XHUYKYVCMVPFIW-FQEVSTJZSA-N 373.435 4.268 0 40 FIAB CCOc1ccc(C2=N/C(=C/c3sccc3C)C(=O)O2)cc1OCC 96635043 ICKRGMOTCMMLTB-SDNWHVSQSA-N 357.431 4.198 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219357155 DRIMWGGNYOEYBY-OALUTQOASA-N 369.461 4.271 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 219512486 LJIXEXQZKXYTGN-GOSISDBHSA-N 355.478 4.218 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)c1 224308904 SREGEWQFZWNMQQ-WOJBJXKFSA-N 362.502 4.214 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCCCOC2CCCCC2)c1 225618284 LJORPSQYAUUJTF-UHFFFAOYSA-N 350.528 4.500 0 40 FIAB CC[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 225633732 RVLCSNPNNZFGIU-LJQANCHMSA-N 353.462 4.464 0 40 FIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@H](COc2ccc(F)cc2)C1 247826986 JHFLJPDQKPCWLR-LNKGRISISA-N 355.453 4.045 0 40 FIAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257304584 SMHYKGIBBCLCST-LJQANCHMSA-N 365.408 4.167 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 257318640 VOVLHNAZGAQTRO-OAQYLSRUSA-N 359.429 4.179 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)CCc1ccccc1 408700779 LTARVDUDKQIQAW-INIZCTEOSA-N 361.507 4.118 0 40 FIAB CCN(CC)C(=O)c1ccc(C(=O)N[C@H]2CCCc3ccc(C)cc32)cc1 567017980 JYBVHNXIDYWEOQ-NRFANRHFSA-N 364.489 4.284 0 40 FIAB C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc3nc(O)oc23)CC1 585082261 SWPPRNKUMFBARH-OAQYLSRUSA-N 350.418 4.117 0 40 FIAB Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 661494528 AGOYKHUKFFLSAC-XKGZKEIXSA-N 362.489 4.056 0 40 FIAB CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CCC[C@@H](CCF)C1 664426385 SYMKSQFFNXVUFF-KRWDZBQOSA-N 372.488 4.277 0 40 FIAB O=C(NCCc1ccc(C2CCCCC2)cc1)N1CC2(CCOCC2)C1 665575406 RZAHVUCPRPWANT-UHFFFAOYSA-N 356.510 4.099 0 40 FIAB COc1cc(OC)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1Cl 683088 GLZMFPLYSYFLKU-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB CC(C)COC(=O)N(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 792646 BLPZFTZQFOPPGU-UHFFFAOYSA-N 373.293 4.228 0 40 FIAB N[C@@H](Cc1ccccc1)c1nnc(SCc2c(F)cccc2Cl)o1 1278374 SFHPUUMHANEPIX-HNNXBMFYSA-N 363.845 4.397 0 40 FIAB Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCOCC4)n3n2)cc1 1341204 FHMOUNRLBJMPDW-UHFFFAOYSA-N 370.456 4.208 0 40 FIAB aggregator Nn1c(SCc2c(F)cccc2Cl)nnc1-c1cccc(Cl)c1 2388489 TUYOFKXKIXVSBP-UHFFFAOYSA-N 369.252 4.397 0 40 FIAB Cc1nc(SCC(=O)NCc2ccccc2)c2oc3ccccc3c2n1 2415885 WNQMTIUEFBINEP-UHFFFAOYSA-N 363.442 4.093 0 40 FIAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccco2)n1Cc1ccccc1 2617234 UUIDBWFMSLNGTP-KRWDZBQOSA-N 353.447 4.190 0 40 FIAB O=C(OCCOc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 2635461 XLVOPDYJKJJSMW-UHFFFAOYSA-N 353.393 4.422 0 40 FIAB C[C@H](NC(=O)COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 2646998 GPPJBXLWUXNHSF-SFHVURJKSA-N 373.452 4.312 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccn(COc2ccc(Cl)cc2)n1 2787423 CFWFTPTYTIKPAR-UHFFFAOYSA-N 362.216 4.479 0 40 FIAB Cc1ccc(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)cc1C 3350710 HONPAGLMHRBEHY-UHFFFAOYSA-N 350.384 4.393 0 40 FIAB Fc1cccc(-c2nn(CN3CCCC3)c(=S)n2-c2ccccc2)c1 4164706 QLOVLXURLDQEQS-UHFFFAOYSA-N 354.454 4.263 0 40 FIAB Cc1nc(-c2ccc(NC(=O)COc3ccc(Cl)cc3C)c(C)c2)no1 4742106 COXDGCUVRYLMOK-UHFFFAOYSA-N 371.824 4.333 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N[C@H](C)CCc3ccccc3)n2)cc1 4921160 PXMCIMRDCAETLR-QGZVFWFLSA-N 363.461 4.115 0 40 FIAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F 5111426 MEYMKJTZAANCIV-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB CC(=O)CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 5347741 SKMRIZVCYCQCJQ-UHFFFAOYSA-N 365.351 4.245 0 40 FIAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(C)cc3)ccc12 5348208 AHCNEVBASJPJTI-UHFFFAOYSA-N 351.402 4.071 0 40 FIAB COc1cccc(-c2nc(S)c3c(n2)Oc2c(cccc2OC)C3)c1 6009477 ZVOJBDSIVBHIBI-UHFFFAOYSA-N 352.415 4.146 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 6050337 OZXNGVRGHFHYQF-UHFFFAOYSA-N 361.825 4.314 0 40 FIAB O=C(Nc1ccccc1N1CCCC1)c1ccc(OC[C@H]2CCCO2)cc1 6647679 RUCJBQZNJUGSOG-LJQANCHMSA-N 366.461 4.097 0 40 FIAB COC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)cc2)ccc1Cl 7504529 DBFFMXGQMVPJHL-UHFFFAOYSA-N 372.852 4.369 0 40 FIAB CCOc1cc(CNCc2ccco2)cc(Br)c1OCC 7523725 CXOMVFFANNOKJK-UHFFFAOYSA-N 354.244 4.129 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 7653265 OMPRKLVCTCJHBA-QGZVFWFLSA-N 370.880 4.198 0 40 FIAB CCCOc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 7668865 MZDXASWVAQSQKC-UHFFFAOYSA-N 371.824 4.109 0 40 FIAB Cc1cc(NC(=O)CNc2ccc(F)cc2C)ccc1Br 7978151 TVVRSSSUKZXDPU-UHFFFAOYSA-N 351.219 4.256 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)NCCc1ccc(F)cc1 7986972 KOSHRYQQQKWYIO-UHFFFAOYSA-N 360.479 4.152 0 40 FIAB c1coc(-c2cc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)no2)c1 8278560 FYBXRZVKBCEDRY-UHFFFAOYSA-N 369.358 4.006 0 40 FIAB C[C@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(-c2ccccc2)cc1 8723609 BMPVEEFTDJWMRK-HNNXBMFYSA-N 361.470 4.483 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3ccccc3C(=O)O)o2)cc1 8731663 NFQQJNKKTZWXIK-UHFFFAOYSA-N 370.430 4.304 0 40 FIAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1cc2ccccc2o1 9146273 FHRPEJPVAUIHCZ-UHFFFAOYSA-N 350.395 4.243 0 40 FIAB O=C(CSc1ccccc1)Nc1nnc(-c2cc3ccccc3o2)o1 9169874 AZVBFPJGPFZILB-UHFFFAOYSA-N 351.387 4.214 0 40 FIAB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)NC1CCCCC1 9668446 KMEYUEOYHOVEOM-UHFFFAOYSA-N 356.470 4.379 0 40 FIAB CCc1cccc(CC)c1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 9690223 MZNNZHYHCBQIDG-CMDGGOBGSA-N 355.409 4.469 0 40 FIAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9915142 OXAJCWDBBQEMPE-UHFFFAOYSA-N 364.445 4.424 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)OCC(=O)NC1CCCCCC1 10468271 KEUNANKOPDBUAW-UHFFFAOYSA-N 374.868 4.192 0 40 FIAB Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)c2cnn(C(C)C)c2n1 10964488 BLNQONTUTRQLEQ-UHFFFAOYSA-N 356.857 4.246 0 40 FIAB COc1ccc(-c2nsc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1 12062953 CEKKMCOUNZWTBN-UHFFFAOYSA-N 359.838 4.048 0 40 FIAB Fc1ccc(-n2c(SCc3ccccn3)nnc2-c2ccncc2)cc1 12465474 BNJXNADLCLZSPJ-UHFFFAOYSA-N 363.421 4.156 0 40 FIAB CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2ccc3cc[nH]c3c2)CC1 13688760 FAAGJDNTKLQZOY-UHFFFAOYSA-N 371.481 4.438 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 13710742 OSIVABAERMVGAN-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB Cc1nn(CN(C)Cc2cccc(Cl)c2Cl)c(=S)n1C1CC1 14135792 PWGIDURGHFMONB-UHFFFAOYSA-N 357.310 4.454 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccco1 14399473 DYXBPXWGRPKSQV-OAHLLOKOSA-N 361.507 4.394 0 40 FIAB CCOc1cccc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c1O 15010938 KGTLMZHLMSJLLR-WJDWOHSUSA-N 355.415 4.340 0 40 FIAB COc1ccc(NS(=O)(=O)c2cccs2)cc1Cc1ccccc1 16729673 LHPWEVVYFXXEDJ-UHFFFAOYSA-N 359.472 4.148 0 40 FIAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccc(F)c(Cl)c1 17279324 ILBWCARMVRFCBO-UHFFFAOYSA-N 366.849 4.014 0 40 FIAB Nc1c(C(=O)Nc2nccs2)sc2nc(-c3ccccc3)ccc12 18198351 DPDCOPQIAYQCOJ-UHFFFAOYSA-N 352.444 4.254 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc12 19942971 ROCXHSKDXRIFLC-IYBDPMFKSA-N 361.507 4.295 0 40 FIAB COc1ccc(CC(=O)N(Cc2ccco2)Cc2cccs2)c(OC)c1 24072977 FRCBGTXZABBJPA-UHFFFAOYSA-N 371.458 4.130 0 40 FIAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)[C@@H]1C[C@H]1c1ccccc1 28245946 OFQKQDQIDHUMIR-FCHUYYIVSA-N 364.489 4.294 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccc(C)cc1 28291464 ZRHIEEQBOYYBQU-LJQANCHMSA-N 367.424 4.175 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccnn2Cc2cccs2)cc1 28403506 LGOGWXBCVYKQEQ-UHFFFAOYSA-N 355.463 4.134 0 40 FIAB Cc1cc2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2[nH]1 31721903 ADGXELAPTQVSNO-UHFFFAOYSA-N 370.352 4.176 0 40 FIAB Fc1ccc(Br)cc1-c1nn2c(-c3ccco3)nnc2s1 32093183 ZVDQTLCDUMMRLS-UHFFFAOYSA-N 365.187 4.014 0 40 FIAB CCN(Cc1ccc(Br)s1)C(=O)c1cc(C2CC2)on1 32903935 NPWAQEIYWPAUPS-UHFFFAOYSA-N 355.257 4.038 0 40 FIAB C[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1ccc(-n2ccnc2)cc1 32970960 AUIMGPFVXPNEHQ-LLVKDONJSA-N 361.779 4.295 0 40 FIAB CSCc1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)o1 34801145 QDESZVDTMKLVIL-RWMBFGLXSA-N 358.529 4.029 0 40 FIAB CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 40095855 FUYNHYIVSMLBFN-UHFFFAOYSA-N 374.268 4.078 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@H](O)c2ccccc2Cl)cc1OC 46037852 DVNWMZUTUPZTAB-MSOLQXFVSA-N 361.869 4.228 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccccc1-n1cccn1 48345423 YGGQDSBGSYKZIJ-UHFFFAOYSA-N 360.339 4.213 0 40 FIAB CCCOc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57413500 LSFQQKRONYJMLV-UHFFFAOYSA-N 369.852 4.449 0 40 FIAB O=C(NCc1ccco1)c1oc2ccccc2c1CSc1ncccn1 58358200 RGOFGAQWVPUKRO-UHFFFAOYSA-N 365.414 4.038 0 40 FIAB COc1ccccc1-c1nc(C(=O)Nc2ccc(N(C)C)cc2)cs1 58607492 CTGUBELGIJUXIH-UHFFFAOYSA-N 353.447 4.137 0 40 FIAB C[C@](O)(CCc1ccccc1)CNC(=O)Nc1ccc(C(F)(F)F)cc1 62021539 OWVNDNOHFZQWOB-SFHVURJKSA-N 366.383 4.211 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N(Cc1ccco1)C1CCCC1 65553791 IUBRWGKVHFXVGF-IBGZPJMESA-N 371.481 4.164 0 40 FIAB CC(C)N(Cc1cc(=O)n2nccc2[nH]1)c1ccc(Nc2ccccc2)cc1 68830976 BZZIKKXEVPZXKZ-UHFFFAOYSA-N 373.460 4.181 0 40 FIAB Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccco2)CC[C@@H](C)C3)on1 71874134 ZVHNYYFUFINQFV-SNVBAGLBSA-N 370.430 4.246 0 40 FIAB CC[C@@H](C)Nc1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213407 GUKXKLXWYDJDDO-APWZRJJASA-N 373.522 4.126 0 40 FIAB CC(=O)c1c(C)nc(C)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2 73788912 VFHLFFTVQNZIPY-UHFFFAOYSA-N 358.507 4.174 0 40 FIAB Cc1coc(-c2cc(NC(=O)C[C@@H](O)c3cccc(F)c3)ccc2C)n1 89326104 VGGPDHAJDQAWLS-GOSISDBHSA-N 354.381 4.160 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C[C@@H]1OCCc2ccsc21 95349298 QWBVVCMOHOQWSO-CVEARBPZSA-N 359.491 4.483 0 40 FIAB Fc1ccc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 96058702 KXZBKBILYRTKNF-UHFFFAOYSA-N 351.400 4.023 0 40 FIAB Cc1ccccc1NC(=S)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 100423676 FRBYBRWFILVMSI-IRXDYDNUSA-N 355.507 4.070 0 40 FIAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 103718224 VULUOVDANYOZSP-KRWDZBQOSA-N 366.461 4.084 0 40 FIAB CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 141651211 ZUSDIXVXKSYBLT-SFHVURJKSA-N 355.434 4.216 0 40 FIAB Cc1cc(OCC(=O)n2c(C)c(C(N)=O)c3ccccc32)cc(C)c1Cl 216782773 YMNPHYMSRFXALK-UHFFFAOYSA-N 370.836 4.038 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(O)c(Cl)c3)N21 222664556 QMDJNMDWJTVICD-OAUYIBNBSA-N 359.882 4.420 0 40 FIAB O=C(Nc1cc(-c2cccc(F)c2)[nH]n1)c1ccc(Br)cc1 223088006 MWONSSYRGGBMSU-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COC(C)C 224720542 AINRCEIGYMZTRH-UHFFFAOYSA-N 353.462 4.209 0 40 FIAB Cc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576533 ZHNFJSRDHQVZTP-UHFFFAOYSA-N 374.887 4.316 0 40 FIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCOC)cc1 225652284 NMHMGPNQRPPSIM-HXUWFJFHSA-N 351.487 4.416 0 40 FIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2cccc(OC)c2)no1 225822843 GNCOFCCFWSJEOR-UHFFFAOYSA-N 365.433 4.187 0 40 FIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)Cc1ccc(Br)cc1 226366146 KVQDRYNISVDIOA-UHFFFAOYSA-N 372.218 4.293 0 40 FIAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4)OCC[C@@]31C2 257317802 VLFXNOGBDJFAJE-GPPVHMAASA-N 359.485 4.480 0 40 FIAB Fc1ccccc1CN1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 257329399 XJVKBVZKACJWOK-KRWDZBQOSA-N 363.440 4.134 0 40 FIAB CC(C)Oc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408709589 UQINUTVSABYLAM-UHFFFAOYSA-N 360.498 4.133 0 40 FIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OC)c(C)c3)S2)cc1 408785583 HPVDPHHWGJAURG-SQWSFHKJSA-N 354.475 4.166 0 40 FIAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Cl)cc1C)c1ccccc1 408979110 LJUKYMWKXLYNST-QGZVFWFLSA-N 360.841 4.464 0 40 FIAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)o1 409323545 PXTBOFVLTWYNDQ-OVCLIPMQSA-N 361.806 4.161 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)Cc1cccnc1C(F)(F)F 530146925 JWJDVHPKBAEGLJ-JTQLQIEISA-N 363.788 4.430 0 40 FIAB O=C(c1ccc2nc(O)oc2c1)N1CC2(CCCC2)c2c(F)cccc21 623618531 CAROCOICIFWBCN-UHFFFAOYSA-N 352.365 4.145 0 40 FIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc2ccc(Cl)cc2n1 684760248 YINIGYPDLZZIBU-SFHVURJKSA-N 368.868 4.472 0 40 FIAB CC[C@H](CSc1ccccc1)NC(=O)Nc1nnc(-c2ccco2)s1 1310160920 GGNXOLAIFFMIPS-GFCCVEGCSA-N 374.491 4.491 0 40 FIAB Cc1cc(Br)cc2c1CN(C[C@@H](O)CC1CCCC1)CC2 1616678236 QRBAUZOLQQZJIM-KRWDZBQOSA-N 352.316 4.057 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@]2(C)CCOc3ccccc32)c1C(C)C 1652515143 YHAQLVPWFSJMHN-NRFANRHFSA-N 354.450 4.077 0 40 FIAB Cc1nn(C)c(CNc2ccc(-c3cn4ccccc4n3)cc2)c1Cl 1656124734 DZUMOEKTUSPVDX-UHFFFAOYSA-N 351.841 4.309 0 40 FIAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(O)c4)OCC[C@@]31C2 2037849838 SMBYOHZNWPSCBS-XSGQZRFPSA-N 357.494 4.191 0 40 FIAB CCN1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O 598912 HFWZBWTWCKQUCB-RVDMUPIBSA-N 365.539 4.384 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CCCO1 780392 PPEKCARAZAKBEP-MRXNPFEDSA-N 373.474 4.326 0 40 FIAB COc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CCCCC3)cc1 837672 QZPWLKSCVCPYBJ-UHFFFAOYSA-N 358.463 4.236 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 1407293 CHLAZODWNLEUOX-QGZVFWFLSA-N 359.429 4.010 0 40 FIAB CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1683140 VPGRYOFKCNULNK-WAUHAFJUSA-N 372.505 4.267 0 40 FIAB biogenic CC[C@@]1(C)Cc2c(sc3nc(SC)n(-c4ccccc4)c(=O)c23)CO1 2250784 SKFGTNGWPOHHTA-IBGZPJMESA-N 372.515 4.411 0 40 FIAB Cc1ccc(NP(=O)(OCC(F)(F)F)OCC(F)(F)F)nc1 2291097 NDRSIXKAQQJUNH-UHFFFAOYSA-N 352.171 4.068 0 40 FIAB CCN(CC)CCSc1nnc2c3cc(C)cc(C)c3n(CC)c2n1 2431079 ASUSJAPEXYEACV-UHFFFAOYSA-N 357.527 4.050 0 40 FIAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 3197210 COZAJAYNRKHHJD-UHFFFAOYSA-N 351.402 4.143 0 40 FIAB CCCSc1nnc(CNC(=O)c2ccccc2)n1-c1cccc(C)c1 4059319 HPCCSKDZADTKOU-UHFFFAOYSA-N 366.490 4.008 0 40 FIAB CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4276618 MDJRZSNPHZEMJH-AXGJTTQDSA-N 374.521 4.059 0 40 FIAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NC(C)C)CCCC3)c1 4539742 YGDZUWSFMMTPTM-UHFFFAOYSA-N 356.491 4.326 0 40 FIAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1C 4767396 SKFIXQKYQYTXKH-LLVKDONJSA-N 352.217 4.433 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]n2)c(O)c1 5343444 UGVYXNAEFSYJLM-UHFFFAOYSA-N 361.323 4.362 0 40 FIAB COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1=O 5440981 ZVLFFRUURJANRU-UHFFFAOYSA-N 366.461 4.372 0 40 FIAB Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)[nH]n2)c(O)c1 5690895 JICOGSRVHDVRDS-UHFFFAOYSA-N 373.359 4.253 0 40 FIAB COc1ccc(CSc2nnc(S[C@@H]3CCCCC3=O)s2)cc1 5871796 OKVJZRQJWAZKLE-CQSZACIVSA-N 366.533 4.443 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 6078625 HHELNCVMWXUTCQ-QWRGUYRKSA-N 368.264 4.105 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CNc1cccc(Br)c1 6249665 IZHBZVYSRDYZII-UHFFFAOYSA-N 369.646 4.162 0 40 FIAB O=C1c2ccccc2C(=O)N1CCSc1nc2cc(Cl)ccc2s1 6535835 UDLPUUDGFSIEIV-UHFFFAOYSA-N 374.874 4.338 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1Cc1ccccc1 6580453 KMMRBUVUSWRCLB-UHFFFAOYSA-N 374.440 4.497 0 40 FIAB CCOC(=O)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6630698 NGFUIWGLLLBXRY-KSMMKXTCSA-N 363.413 4.388 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCCc1ccc(OC(F)F)cc1 6881750 YYRRVYZTSPRNSN-UHFFFAOYSA-N 371.383 4.179 0 40 FIAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1 7277603 RPUBDIWMTFNHEZ-CQSZACIVSA-N 370.396 4.160 0 40 FIAB COc1ccc(-c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nn1 7573291 VOLZHQCOAXEAIZ-UHFFFAOYSA-N 373.334 4.423 0 40 FIAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccccc1Cl 7929744 ZRSOLKGMXVGDBD-UHFFFAOYSA-N 356.775 4.429 0 40 FIAB COc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc(OC)c1 7969726 VKXDQRPYGMTKME-UHFFFAOYSA-N 371.824 4.104 0 40 FIAB Cc1ccc(C)c(Nc2nc(NCCc3ccccc3)nc3nccnc23)c1 9074981 FCDVSUULOYIFPA-UHFFFAOYSA-N 370.460 4.435 0 40 FIAB Cc1ccc2cc(CN(C(=O)c3cccnc3)c3ccccc3)c(=O)[nH]c2c1 9461243 KGBDXZHLUPZXLC-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)c1cccc2cccnc12 10282025 NROSWOQOHDOWSX-UHFFFAOYSA-N 359.473 4.151 0 40 FIAB O=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1ccc2c(c1)OCO2 12601091 BROUHFUPTMMSAO-UHFFFAOYSA-N 367.382 4.094 0 40 FIAB Cc1ccc([C@H](NC(=O)COc2cccc(Br)c2)C2CC2)cc1 12862600 QHPHQIMLSIJGOZ-IBGZPJMESA-N 374.278 4.404 0 40 FIAB COc1cccc(CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 12866145 FPBINUKERLDQFS-UHFFFAOYSA-N 357.479 4.001 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccoc1 12914984 PARRMEMVUQDLMF-UHFFFAOYSA-N 363.236 4.342 0 40 FIAB O=C(CCCOc1ccc(F)cc1)N1CCC(c2ccc(O)cc2)CC1 12924210 GEUBCXDERJOIHS-UHFFFAOYSA-N 357.425 4.097 0 40 FIAB O=C(OCc1ncon1)c1cc(-c2ccccc2Cl)nc2ccccc12 12925597 VAWCKCHDPPCSQR-UHFFFAOYSA-N 365.776 4.295 0 40 FIAB CC(CNC(=O)c1ccc(Cl)nc1)(c1ccccc1)c1ccccc1 16176687 JIHGMAMRXXMMJS-UHFFFAOYSA-N 350.849 4.471 0 40 FIAB COc1ccc(CN2CCCCC[C@H]2c2cc(C)no2)c(OC)c1OC 19120252 MSSBBEBCTUBZPS-INIZCTEOSA-N 360.454 4.126 0 40 FIAB CC(C)n1c(-c2cncn2CCCN2CCCCC2)nc2ccccc21 19654458 MCNKYVPAQNUSJL-UHFFFAOYSA-N 351.498 4.357 0 40 FIAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 21596519 XRYSMGFAFACTPH-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccc(F)cc1 22246170 ARIWKTFVTXDBBP-UHFFFAOYSA-N 359.401 4.403 0 40 FIAB Cc1ccccc1CC(=O)Nc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 22294554 BZXKWEWNKSDYKR-GJZGRUSLSA-N 357.523 4.111 0 40 FIAB CCN(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)C1=CCCC1 24932981 QPUFROWVPCLDIE-UHFFFAOYSA-N 371.293 4.045 0 40 FIAB Cc1noc(C)c1COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 24940306 BWSWPBUQFKFGPB-UHFFFAOYSA-N 365.389 4.292 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1nc2c(s1)CCC2 25769073 TUTXLKYLVQBHJY-UHFFFAOYSA-N 354.475 4.112 0 40 FIAB COc1ccc(Nc2nc(Nc3cc(C)ccc3C)c3cnn(C)c3n2)cc1 27666433 IRWYLWSSKNRHHC-UHFFFAOYSA-N 374.448 4.476 0 40 FIAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2ccccc2Cl)o1 28294741 TUNZDZSDHZIXJC-QGZVFWFLSA-N 374.824 4.133 0 40 FIAB Cc1ccc(CCC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1Cl 30030480 ZQKLTKNAYCRYCH-HXUWFJFHSA-N 356.897 4.096 0 40 FIAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 32267153 LZDLVHPXNRYNNC-UHFFFAOYSA-N 358.290 4.293 0 40 FIAB O=C(CSc1ccncc1)NCc1ccc(-c2ccc(Cl)cc2)o1 32524564 XOOPNBYLXHWOQU-UHFFFAOYSA-N 358.850 4.404 0 40 FIAB CC(=O)Nc1ccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)cc1 32602139 WDPFJULQDSNUKE-UHFFFAOYSA-N 374.245 4.028 0 40 FIAB CCCC[C@@]1(O)C[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 33657847 YGVYDWADHKYSHH-BSNLUDBSSA-N 358.522 4.443 0 40 FIAB CSc1cccc(NC(=O)c2c3c(nc4c2cnn4C(C)C)CCC3)c1 35686437 WHMACRLETOFPNL-UHFFFAOYSA-N 366.490 4.475 0 40 FIAB CC(C)c1nnc(SCc2cc(Cl)c3c(c2)OCO3)n1C1CC1 36636821 MOBKTZSYZIOVIY-UHFFFAOYSA-N 351.859 4.411 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N(Cc1ccccc1)C1CC1 37162522 KDLHAVJIPRVNML-UHFFFAOYSA-N 371.864 4.235 0 40 FIAB Cc1nc(S)sc1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 40024242 UFTUMJJQGRPYKR-UHFFFAOYSA-N 364.826 4.176 0 40 FIAB Fc1ccc(C(F)(F)F)cc1-c1nn2c(-c3ccncc3)nnc2s1 40284392 KUUKNTGPWLPLFR-UHFFFAOYSA-N 365.315 4.073 0 40 FIAB O=C(c1cc(Cl)ccc1Cl)c1ccccc1CN1CCOCC1 43211488 VWPYDGSVUQVOEA-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB COc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CCC(C)C)cc1 49466911 GNZCLLYZCXYADJ-PMACEKPBSA-N 367.445 4.107 0 40 FIAB CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 56158592 WHBPLOVFKZBZQA-LBPRGKRZSA-N 361.829 4.348 0 40 FIAB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cc2ccccc2[nH]1 58428449 CEGKGGSBUWJUTA-FQEVSTJZSA-N 367.880 4.388 0 40 FIAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N[C@@H](C)Cc1c(F)cccc1F 65492972 PURSKOMUVBDNNT-RYUDHWBXSA-N 368.374 4.104 0 40 FIAB CC(C)n1cc(CC(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc21 79480266 FFWPVQXKWJHKDC-UHFFFAOYSA-N 355.526 4.190 0 40 FIAB CCCCN1Cc2cccc(NS(=O)(=O)c3ccc(CC)s3)c2C1 95946519 QEJMZEVWBNIHNQ-UHFFFAOYSA-N 364.536 4.227 0 40 FIAB Cc1ccc(CNC(=O)c2ccc3onc(-c4coc(C5CC5)n4)c3c2)o1 96266483 BUKGGRMULSAMGQ-UHFFFAOYSA-N 363.373 4.192 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 224008373 VWOGPMVYFLJMPM-UHFFFAOYSA-N 366.505 4.098 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1ccc2cc(OC)ccc2c1 224326495 PBHXTZNPSZRYAI-UHFFFAOYSA-N 357.431 4.048 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(Cl)c2)cc1 225264163 HZMRMRZGSFODEU-GFCCVEGCSA-N 350.871 4.103 0 40 FIAB CC[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(OC)c(OC)c1 225719707 OYVVJSPTINUUFI-CQSZACIVSA-N 366.433 4.420 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1C 226094655 FBEPIRWAVYUIND-UHFFFAOYSA-N 365.433 4.353 0 40 FIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cccc(Br)c1 226366457 IEOLZHQGEQBMNT-UHFFFAOYSA-N 358.191 4.099 0 40 FIAB C[C@@H](c1nc2ccccc2o1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 245533254 DKCNABNCFACOBG-JKSUJKDBSA-N 365.481 4.086 0 40 FIAB Cc1ccc(CCCC(=O)NCCCn2nc(C)c3ccccc32)s1 257173600 RYQMNRDTIGFBAR-UHFFFAOYSA-N 355.507 4.244 0 40 FIAB O=C(NCCc1ccc(-c2ccoc2)s1)Nc1ccc2c(c1)OCO2 390832413 ZICQKOVPDJGWPQ-UHFFFAOYSA-N 356.403 4.101 0 40 FIAB Cc1coc(-c2cc(NC(=O)NC[C@@H]3CCN(C(C)(C)C)C3)ccc2C)n1 666357139 DDGHOOLIFPYFFE-INIZCTEOSA-N 370.497 4.200 0 40 FIAB Cc1cc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccccc3)n2)no1 1615189181 FCZXETRTTOPXCB-QGZVFWFLSA-N 368.462 4.029 0 40 FIAB Fc1ccc2c(C3CCN(c4cc(C(F)(F)F)ncn4)CC3)noc2c1 1888882044 AZRQRQQWQADIPL-UHFFFAOYSA-N 366.318 4.160 0 40 FIAB CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1C(C)C 1364219 DGFDVLQQLYWTSK-UHFFFAOYSA-N 360.527 4.413 0 40 FIAB CCC(=O)OCc1c(C(F)(F)F)nn(C)c1Sc1ccc(F)cc1 1391440 UZISXOAOEYHJHI-UHFFFAOYSA-N 362.348 4.182 0 40 FIAB Cc1ccccc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2)C1=O 1786137 QNVJKCQVLGLRGL-UHFFFAOYSA-N 361.228 4.080 0 40 FIAB CCSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 1791642 XVFIMWHZTNGEAX-UHFFFAOYSA-N 357.888 4.101 0 40 FIAB Cc1ccc(C)c(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c1 2149948 GEVSBEUVXLGOHH-UHFFFAOYSA-N 366.413 4.233 0 40 FIAB biogenic C[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 2194383 GJWQLMYKCUGZAE-NSHDSACASA-N 359.838 4.265 0 40 FIAB CCc1ccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn23)cc1 2333999 AXYKTJNDXVCQTF-UHFFFAOYSA-N 374.835 4.346 0 40 FIAB CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1 2497239 PBQYYBUFGXGUSR-UHFFFAOYSA-N 369.442 4.315 0 40 FIAB CN(C)c1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 3393362 KSLMTOKJUULUNW-UHFFFAOYSA-N 353.647 4.421 0 40 FIAB COC(=O)c1c(NC(=O)Nc2cccc(OC)c2)sc2c1CCCC2 3906864 IBGKEBZZMGRFHR-UHFFFAOYSA-N 360.435 4.066 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@H]32)C1 4026481 NNMJHVBZUSISMC-SDHJOGMGSA-N 374.521 4.345 0 40 FIAB biogenic C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 5401537 KXXHPKQPCJZRPE-LBPRGKRZSA-N 353.491 4.343 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1O 6623478 BAGZIALFFKAELM-UHFFFAOYSA-N 361.463 4.249 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2c(Cl)cccc2Cl)cc1 6647293 DURGFSGCTTYWFZ-UHFFFAOYSA-N 372.273 4.017 0 40 FIAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1 6851540 YJBYHADHDSNEMW-OPAMFIHVSA-N 359.425 4.371 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)Cc1ccc(Cl)cc1 7482329 NTZAHQBNPKRBCK-UHFFFAOYSA-N 359.853 4.496 0 40 FIAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 7807512 SGJHSXXQRHHGKT-NDXORKPFSA-N 364.489 4.025 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 8480846 CSDMPBSAVRGXEY-GFCCVEGCSA-N 364.239 4.172 0 40 FIAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 8699185 CPNNNTHMABGFLD-LSDHHAIUSA-N 350.245 4.294 0 40 FIAB CCOc1ccc(NC(=O)CCC(=O)c2ccc(F)cc2)cc1OCC 9459925 NAJJSIQGMYDYAJ-UHFFFAOYSA-N 359.397 4.225 0 40 FIAB C[C@@H](c1cccs1)N(C)CC(=O)Nc1ccccc1Br 9494278 QFHBPTGFNKIAFO-NSHDSACASA-N 353.285 4.142 0 40 FIAB C[C@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1Br 9584051 ZLYAPUDERXKOES-LBPRGKRZSA-N 365.246 4.191 0 40 FIAB Cc1ccc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 9733635 OWQWUFUNPANNMF-UHFFFAOYSA-N 362.307 4.421 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 11479391 CIFPFFZSDHZWNL-UHFFFAOYSA-N 367.836 4.272 0 40 FIAB Cc1cc(-c2cnc(NCc3cccnc3)nc2-c2sccc2C)on1 12088794 BYQHHZQMMYMGJR-UHFFFAOYSA-N 363.446 4.484 0 40 FIAB C[C@@H](CC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 12602243 VEDLRBDBCUGPII-YWZLYKJASA-N 367.880 4.473 0 40 FIAB O=S(=O)(Cc1ccccc1)N[C@H](Cc1ccccc1)c1ccccc1 12856318 WGZQRUXBXADYGD-OAQYLSRUSA-N 351.471 4.090 0 40 FIAB O=C(Nc1nc2c(F)cc(F)cc2s1)[C@@H]1Cc2cc(Cl)ccc2O1 12899089 DWTYJLIBRHGIJI-LBPRGKRZSA-N 366.776 4.170 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2csc(-c3ccsc3)n2)cc1 12976160 LYKDGROFEUMGIC-UHFFFAOYSA-N 358.444 4.301 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N[C@@H]2CCSc3ccccc32)cc1 14015773 UUECNYOBPSKPFO-QGZVFWFLSA-N 372.515 4.090 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2c1C 14357271 BQVVIDAPSMWHQD-JTNHKYCSSA-N 363.552 4.341 0 40 FIAB O=C(Oc1ccccc1Br)c1cc(-c2cccs2)on1 15669794 BYKUXKWBALHSKG-UHFFFAOYSA-N 350.193 4.385 0 40 FIAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\CCC(=O)O)c2c1 19793152 YWBSYEBJUWFTRO-RELWKKBWSA-N 351.402 4.046 0 40 FIAB CC(C)c1ccc2c(c1)[C@H](N1CCN(C)CC1)Cc1cccnc1S2 19802359 QPQJZKXMKKTUNP-LJQANCHMSA-N 353.535 4.201 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)cc1C 20029932 GMBHWKYVJKMHPZ-AWEZNQCLSA-N 365.520 4.155 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC4CCCC4)c(C)c3cc12 20427611 XJKNYYBFFRVHGF-UHFFFAOYSA-N 367.445 4.456 0 40 FIAB Cc1cc(Br)ccc1NC(=O)c1ccc(-n2cccn2)cc1 21797085 RYGYBHKEQVAUQR-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 22131930 XCXFZSQMDIYEOI-QGZVFWFLSA-N 357.837 4.479 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 22510528 IKDYPKLGKCFQPB-LJQANCHMSA-N 350.506 4.499 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)c1 22904648 ZQPRYVYQCZNJBT-CABCVRRESA-N 359.491 4.203 0 40 FIAB Brc1csc(CNC[C@@H](c2ccco2)N2CCCC2)c1 23257939 CSDJFRMYZSIYRR-AWEZNQCLSA-N 355.301 4.030 0 40 FIAB CCCc1ccc([C@@H](NC(=O)c2ccc(-n3ccnc3)nc2)C(C)C)cc1 24914111 WZHSXKYDBVAQAG-NRFANRHFSA-N 362.477 4.347 0 40 FIAB Cc1ccc(F)cc1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 24975171 QMCHRVCFZYPDFX-UHFFFAOYSA-N 355.409 4.356 0 40 FIAB O=C(Oc1ccc(OC(=O)N2CCCCCC2)cc1)N1CCCCCC1 27194340 FXCKBRPINDBRDT-UHFFFAOYSA-N 360.454 4.436 0 40 FIAB COc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662755 LKIMYFHDLCWDES-LJQANCHMSA-N 372.534 4.033 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1SC 28189615 JYFFZLREOMSDQX-UHFFFAOYSA-N 359.476 4.182 0 40 FIAB C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 28199179 AMJRXPHUVLONCQ-DBXWQHBBSA-N 364.489 4.052 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)CCSc1ccccc1Cl 32748194 ZPCHMEFKOKJZRO-UHFFFAOYSA-N 373.909 4.297 0 40 FIAB O[C@H](CO[C@@H]1CCCc2ccccc21)CN(Cc1ccc(F)cc1)C1CC1 32751124 LJICEEKUANFLPZ-JTHBVZDNSA-N 369.480 4.245 0 40 FIAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 36171610 CVAQEKYDIHGWAN-UHFFFAOYSA-N 350.462 4.048 0 40 FIAB CCOc1ccc2cc(S(=O)(=O)n3c(C)nc4ccccc43)ccc2c1 41092032 BSENNDOPFPMCCU-UHFFFAOYSA-N 366.442 4.134 0 40 FIAB Cc1occc1-c1nnc(SCc2nc3cc(Cl)ccc3n2C)o1 43242262 GEUCTZOEDNCWLN-UHFFFAOYSA-N 360.826 4.470 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 47080927 HGHIACHYBSSSCM-INIZCTEOSA-N 368.502 4.350 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)N(CC)c2ccccc2)cc1 48324399 SVBZKTQCTJDJAI-OAQYLSRUSA-N 352.478 4.275 0 40 FIAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 53261568 OUUWQXUIYVMHTR-HNAYVOBHSA-N 367.449 4.077 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 58004529 OXLKKMKKOFUBBO-UHFFFAOYSA-N 364.323 4.481 0 40 FIAB CCN(C(=O)CN1CCC[C@H]1c1ccc(OC)cc1)c1ccccc1C 58014322 DGGRXQVLGNNJHM-NRFANRHFSA-N 352.478 4.194 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)N1CCCN(c2nccs2)CC1 58184733 UROXLNZNHVYDQW-UHFFFAOYSA-N 371.293 4.194 0 40 FIAB COc1ccc(C2(CNc3cccc(F)c3C(C)=O)CCOCC2)cc1 63248121 CLZIDCFJMOMEHU-UHFFFAOYSA-N 357.425 4.197 0 40 FIAB Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc(F)cc3)n2)nc1 72377411 INVXMPFRCKWCSO-LJQANCHMSA-N 363.440 4.400 0 40 FIAB COc1ccc([C@H]2Nn3c(nnc3-c3cc4ccccc4o3)S2)cc1 85425708 ZGYVIYQLPTWWFU-KRWDZBQOSA-N 350.403 4.048 0 40 FIAB c1ccc(-c2ccc3c([C@H]4CCCN4Cc4ccncc4)nnn3c2)cc1 96156554 BXVQXUJQERTQRJ-HXUWFJFHSA-N 355.445 4.128 0 40 FIAB c1cncc(CO[C@@H]2CC3(CCN(c4cnccn4)CC3)c3ccccc32)c1 96241536 XQUQEINQLJKCHN-OAQYLSRUSA-N 372.472 4.071 0 40 FIAB COc1ccc2oc(=O)c(C(=O)O[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)cc2c1 100901883 DZBWSUUMDFCORR-IFCGJNOESA-N 356.418 4.173 0 40 FIAB Fc1ccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101147993 QYMKYMQIRSPYGD-AWEZNQCLSA-N 362.195 4.175 0 40 FIAB Cc1c(C2=C[C@@H](c3ccc(Cl)cc3)n3nnnc3N2)oc2ccccc12 102306975 YXXWKJVPZUPWCZ-INIZCTEOSA-N 363.808 4.437 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)COc1ccccc1C 219324019 VVNGPPUKMPWUJW-QAPCUYQASA-N 361.869 4.390 0 40 FIAB CCn1c(Cl)nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21 222547424 JBQBLQBACREIQG-UHFFFAOYSA-N 366.852 4.163 0 40 FIAB COC(=O)c1cn(C(=O)Cc2cccc(Br)c2)c2ccccc12 222653417 DFMADIZAJOANKU-UHFFFAOYSA-N 372.218 4.073 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cc(C)ccc1C 224043425 GDAKGPDNHMLGPZ-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 225219911 GFZNWUPQCRTSPY-CYBMUJFWSA-N 357.325 4.366 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc(O[C@H]2CCSC2)c1 225720211 SBCMMJLTFCXPEG-AWEZNQCLSA-N 368.380 4.237 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)s1 225855432 MCMAQVIPQNJXKK-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1 225919611 JNHOJKQLIKUTIB-UHFFFAOYSA-N 373.424 4.303 0 40 FIAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1OC 260781638 UEMQGOJQZBZZSB-ZNZDAUKMSA-N 369.490 4.078 0 40 FIAB NC(=O)/C=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1 409416144 REKYYRVYJVOQHM-SREVYHEPSA-N 366.642 4.180 0 40 FIAB C[C@@]1(C(=O)Nc2cc(Cl)ccc2Cl)Cc2ccccc2C(=O)O1 818833 JLRDIFAVOYDABE-KRWDZBQOSA-N 350.201 4.104 0 40 FIAB Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)Nc2cccc(C)c2)cc1 822217 WBZMDFUWSGUNDY-XSFVSMFZSA-N 360.413 4.306 0 40 FIAB Cc1cccc2cc(CN(C(=O)C(F)(F)F)C3CCCCC3)c(=O)[nH]c12 1346727 LMVZPEZHZZJQHJ-UHFFFAOYSA-N 366.383 4.060 0 40 FIAB COc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3C2CCCC2)c1 1370086 HZRCWJHNAMTTQK-RTBURBONSA-N 373.566 4.310 0 40 FIAB CC1=C(C(=O)Nc2ccc(Cl)cc2)CCC(=O)N1Cc1ccccc1 1389188 ASRDCPSEAGBEKR-UHFFFAOYSA-N 354.837 4.375 0 40 FIAB CCCCCOc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1OC 1891146 JNIYNXHZRGJCLF-UHFFFAOYSA-N 367.445 4.302 0 40 FIAB Cc1ccc(C)c(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2)c1 2092716 JJKGENTWQOCGAK-UHFFFAOYSA-N 366.413 4.314 0 40 FIAB biogenic Cc1ccccc1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1C 2150027 DOSYRRRGZXQYIO-UHFFFAOYSA-N 366.413 4.314 0 40 FIAB biogenic CCCCCOC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12 2234596 OPKNQNSHVNVVMC-ZDUSSCGKSA-N 354.454 4.485 0 40 FIAB CC(=O)OCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21 2298714 NPEXHROGVLWPCE-UHFFFAOYSA-N 360.417 4.292 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(F)cc2)CC1 2571229 UUVHXDACJOQNAC-UHFFFAOYSA-N 367.346 4.199 0 40 FIAB Cc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1 3331908 OCAKPDBCHYRCOR-UHFFFAOYSA-N 368.458 4.336 0 40 FIAB Nc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)s1 3542612 YDHPJLLGYOWBNQ-INIZCTEOSA-N 366.471 4.318 0 40 FIAB COC(=O)[C@H]1CC[C@](C)(C(O)(c2ccccc2)c2ccccc2)OC1(C)C 3845824 UININOSXDBGDQN-DENIHFKCSA-N 368.473 4.059 0 40 FIAB biogenic CCN(Cc1ccccc1)C(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 3895705 BJUSMSYCTXERJD-LYBXBRPPSA-N 358.526 4.002 0 40 FIAB CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)cc1OC 3899445 CIYJVFJBFXRWJD-UHFFFAOYSA-N 366.417 4.182 0 40 FIAB biogenic O=C(Cc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 4304765 YAGUMEFRWDAOMT-UHFFFAOYSA-N 359.454 4.467 0 40 FIAB CC1CCN(C2CCN(Cc3ccc(Br)cc3)CC2)CC1 4745824 ULQFZUAHWDOIRK-UHFFFAOYSA-N 351.332 4.145 0 40 FIAB Nc1ccc2nc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)sc2c1 4892798 NBFSBIBUQOVBFA-UHFFFAOYSA-N 373.547 4.056 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2ccccc2)c1=O 4940228 OFFFGQVUFINNFF-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB COc1cccc(CNC[C@H]2CCCO2)c1OCc1ccccc1Cl 5019682 JACSZQORJLRLOR-QGZVFWFLSA-N 361.869 4.196 0 40 FIAB CCN1C/C(=C\c2cccc(OC)c2)c2nc3ccccc3c(C(=O)O)c2C1 5131354 BAPDPELWEWWYDN-LFIBNONCSA-N 374.440 4.318 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5309599 VEMTVDBXTJTGJM-UHFFFAOYSA-N 367.261 4.304 0 40 FIAB Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccco2)C1=O 5451795 KWJVGCCPNGVDDQ-OAQYLSRUSA-N 360.413 4.018 0 40 FIAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(c1ccccc1F)C3 5516413 JKBPFNXZJHOWQN-UHFFFAOYSA-N 371.795 4.431 0 40 FIAB CNc1nc(-c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)cs1 6671401 XSBVKYYSXWALML-CQSZACIVSA-N 355.463 4.110 0 40 FIAB COC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 6930801 WBUZYJZINAKZCH-UHFFFAOYSA-N 364.353 4.155 0 40 FIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Br)cn2)cc1 6940305 ADYHRIWIOIICLU-LBPRGKRZSA-N 363.255 4.375 0 40 FIAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(SC)cc1 8496594 AQHXRGBHRDSGBZ-UHFFFAOYSA-N 358.492 4.082 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)cc3)cc21 8959719 HRBGEWWNXWATDV-UHFFFAOYSA-N 366.461 4.409 0 40 FIAB CCOc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cn3)ccc2c1 9063991 WROYEMVFDYSJNH-UHFFFAOYSA-N 362.838 4.088 0 40 FIAB Cc1ccc2c(=O)cc(C(=O)N3CCC(Cc4ccccc4)CC3)oc2c1 9194318 IEZFGTOTEGIVHT-UHFFFAOYSA-N 361.441 4.196 0 40 FIAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)o2)CC1 9483371 UQWFSFZDABZVON-GFCCVEGCSA-N 365.886 4.129 0 40 FIAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 10328422 BGPKTNRDWKKKJU-UHFFFAOYSA-N 368.546 4.254 0 40 FIAB Nc1nc(CSc2ncc(-c3ccc(F)cc3)o2)nc2ccccc12 10847386 IYJVHHRQMGKGIZ-UHFFFAOYSA-N 352.394 4.298 0 40 FIAB COc1ccc(CNc2ncc(-c3cnccn3)c(-c3ccoc3C)n2)cc1 12252998 DVBMKNCPFHMPDL-UHFFFAOYSA-N 373.416 4.123 0 40 FIAB CCOc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c(C)cc1OC 12366546 JKHMCFJRWOYZSX-QFBILLFUSA-N 358.482 4.200 0 40 FIAB Cc1c(C)n(C[C@@H](O)CN2CCc3ccccc3C2)c2c(Cl)cccc12 12421944 KJHUKAGUFJNVSH-IBGZPJMESA-N 368.908 4.331 0 40 FIAB CC(C)CC[C@@H](C)NC(=O)c1ccccc1OCc1cn2ccccc2n1 12520462 BSDOOHUKUFNSRA-QGZVFWFLSA-N 365.477 4.468 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)cc1 12683411 XYNNCUYVSWQEJR-MRXNPFEDSA-N 366.486 4.450 0 40 FIAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccccc2)s1 12863938 PRSGJYZMHKPICT-GDNBJRDFSA-N 373.840 4.344 0 40 FIAB Cc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)cc1C 13635583 UEMCBZMPTKCKGG-UHFFFAOYSA-N 371.444 4.277 0 40 FIAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1 14428842 RJXLOFNGXMZWNV-IBGZPJMESA-N 358.441 4.135 0 40 FIAB C[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 14675408 VLHKNFHCRIOECL-FBOQAHMBSA-N 373.380 4.402 0 40 FIAB Nc1ccc(I)cc1-c1nc2ccccc2s1 16545484 MBHKWGFHAZVCLM-UHFFFAOYSA-N 352.200 4.150 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C(C)(C)C 16780061 NVACPGFCVKSQBL-PBHICJAKSA-N 353.528 4.240 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1nccn1C1CCCC1 16959572 HSFMEWKPZGDWPE-UHFFFAOYSA-N 365.886 4.391 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 17297822 VHOHDFNYSIPXHV-UHFFFAOYSA-N 356.897 4.298 0 40 FIAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(NC4CC4)s3)o2)cc1 17832292 ZJZCPVOFQKWDOG-SNVBAGLBSA-N 359.480 4.324 0 40 FIAB Cc1cc(-c2cn[nH]c2[C@H]2CCCCN2Cc2cnc(C(C)C)nc2)on1 19120978 PPOFRJXVEDMSPO-QGZVFWFLSA-N 366.469 4.014 0 40 FIAB CCN(Cc1ccccc1)C1CCN(Cc2cnc(C(C)C)nc2)CC1 19526649 RHKJYDWOUQKJKG-UHFFFAOYSA-N 352.526 4.087 0 40 FIAB COc1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 19934232 YJZAGHIPSYLYPR-UKTHLTGXSA-N 353.462 4.331 0 40 FIAB CCOC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C(C)C)nn2c1C 20797861 GVDJHMYRNGVRNT-UHFFFAOYSA-N 358.829 4.053 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)cc1)SCC(O)=N2 21523824 QRSJVWZVHDQLFS-SFHVURJKSA-N 351.431 4.311 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccc(C)c3C)no2)cc1 21800536 WOUVHOKJDDXKJC-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4cccnc4)nc32)cc1C 21801755 HUFDSJJOKPANDG-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H](c1ccccc1)c1ccc(F)cc1 24032446 SFDSFWIHXPLMMI-QFIPXVFZSA-N 373.431 4.284 0 40 FIAB Cc1ccc(Oc2ccc(OCC(=O)N[C@H](C)c3ccccn3)cc2)cc1 25254694 YBOJWNLFGVKVFC-QGZVFWFLSA-N 362.429 4.439 0 40 FIAB O=C(CSc1nccc(C(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2 26477213 RNLIFWBVHNPNSZ-UHFFFAOYSA-N 356.413 4.373 0 40 FIAB CC(=O)c1ccccc1NC(=O)c1ccccc1SC[C@@H]1CCCO1 26768341 WIFJUUWNFPYLMU-HNNXBMFYSA-N 355.459 4.413 0 40 FIAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 29238795 JOXLQSSEIPWOON-AHAUYKDXSA-N 363.335 4.325 0 40 FIAB Cc1ccc(CNC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 30007374 PEINUYXAUBLADO-SFHVURJKSA-N 351.494 4.102 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C)c1 30755796 RSFXNSTYMAXXAT-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c(Cl)c1 30860491 PBCYUUZLYZYVCG-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB CCCc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 32098374 SWGFMFDOIJGNDR-UHFFFAOYSA-N 354.269 4.202 0 40 FIAB COC(=O)c1cnc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)s1 32494123 JXBSYFMNERSWRU-UHFFFAOYSA-N 372.446 4.289 0 40 FIAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccc(Cl)cn1 32668025 YJPJZQRCWUYAMZ-UHFFFAOYSA-N 351.793 4.387 0 40 FIAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccccc1 32727392 RZHRFZMJMNJJFA-AWEZNQCLSA-N 373.399 4.121 0 40 FIAB C[C@H]1Oc2c(C(=O)Nc3nnc(Cc4ccccc4)s3)cccc2[C@H]1C 32820158 PYGKQKULALZJAX-QWHCGFSZSA-N 365.458 4.266 0 40 FIAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1 36446888 PUDQCFKKULHXKN-IBGZPJMESA-N 354.500 4.396 0 40 FIAB CSc1cccc2sc(NC(=O)c3c(C)nc4ccccn34)nc12 36704890 NUCVXMHYIMBLCB-UHFFFAOYSA-N 354.460 4.227 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 36761329 TWQOJCFDAKDZON-UHFFFAOYSA-N 370.428 4.095 0 40 FIAB Cc1cc2ncn(CC3CCN(C(=O)c4ccsc4)CC3)c2cc1C 38534710 LVVKYOZLUUPVEK-UHFFFAOYSA-N 353.491 4.267 0 40 FIAB CCOc1ccc(C(=O)NCCc2cccc3cccnc23)cc1OCC 39540069 OFBXLTDAFUZUNL-UHFFFAOYSA-N 364.445 4.005 0 40 FIAB Cc1noc(-c2ccc(C(=O)Nc3ccccc3Br)cc2)n1 40050969 UELRQUCGLMYZTC-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB Cc1ccc(CN(C(=O)Cc2c(C)nn(CC(C)C)c2C)C2CC2)cc1 40070351 WJLUDKWLTFCVEB-UHFFFAOYSA-N 353.510 4.198 0 40 FIAB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCCC(=O)O)cc1C 40139854 ZHOYIOHRVXFZRY-VAWYXSNFSA-N 362.429 4.049 0 40 FIAB COCc1ccccc1NC(=O)c1ccccc1SC[C@H]1CCCO1 44550563 QANARWFTJQQCFD-MRXNPFEDSA-N 357.475 4.356 0 40 FIAB COc1ccc(C)cc1NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 50036430 NDVISMBRGBXLTF-MRXNPFEDSA-N 373.522 4.099 0 40 FIAB Fc1ccc(CSc2nnc(-c3cccnc3)o2)cc1Br 54442734 JIOIDYXRKDLQAF-UHFFFAOYSA-N 366.215 4.326 0 40 FIAB CC(C)n1ncc(C(=O)N(C)Cc2ccc(F)c(F)c2)c1C(F)(F)F 58229991 SCKVFWOUPTWLFH-UHFFFAOYSA-N 361.314 4.033 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1sc(C(C)C)nc1C 58382648 WFGZHKSAAFUYEB-UHFFFAOYSA-N 371.506 4.372 0 40 FIAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c1 59227348 BGJUNJPQZYXNLP-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB CN(C)c1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cn1 72337863 VCFQAMJNDXRJDL-YRPNKDGESA-N 370.928 4.258 0 40 FIAB CN1CCC2(CC1)CN(Cc1cccc(Cl)c1)Cc1ccccc1O2 72394173 HQCSVKOPAULEKW-UHFFFAOYSA-N 356.897 4.199 0 40 FIAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1cccnc1 72405772 XIJSWPMBXHPZDY-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB CCCNC(=O)C1(NCc2csc(-c3ccsc3)n2)CCCCC1 78656267 YOTAGZMKQYYCCW-UHFFFAOYSA-N 363.552 4.190 0 40 FIAB Cc1ccc(-c2noc(COC(=O)[C@@H]3CCCc4ccccc43)n2)cc1F 84185432 GCLXOEVAYXMZMT-QGZVFWFLSA-N 366.392 4.347 0 40 FIAB O=C(NCC1CCCCCCC1)C1CCN(C(=O)c2cccs2)CC1 84436822 BRNKBRQAMCGLRQ-UHFFFAOYSA-N 362.539 4.077 0 40 FIAB CCCNC(=O)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 96266527 HLDSOLPTWFUOJB-UHFFFAOYSA-N 364.430 4.153 0 40 FIAB Cc1ccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3nnnc3N2)cc1 101093179 WUUPZRUJQKQPDZ-HNNXBMFYSA-N 358.232 4.344 0 40 FIAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccc(Br)c2)CCC1 101101915 JLBDZJXSAXHGLU-ZDUSSCGKSA-N 361.199 4.067 0 40 FIAB Cc1ccn(C(=O)c2ccc(-c3cnco3)cc2)/c(=N/C2CCCCC2)c1 102146902 VNUKEESVVNMUHQ-DARPEHSRSA-N 361.445 4.373 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1C 103718971 PNLLHELBGDHRGG-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108880168 JQTHEVSJBRFWGI-STJBVKTJSA-N 360.523 4.067 0 40 FIAB Ic1ccccc1-c1nc(-c2cccs2)no1 138365825 MBFWGIVIHFKCKO-UHFFFAOYSA-N 354.172 4.070 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 219499772 WCIARJPEFXCBCG-VQIMIIECSA-N 371.477 4.375 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)OCCO2 223015131 MXGQWUUZFABWQI-MRXNPFEDSA-N 361.825 4.216 0 40 FIAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(C)=O 223336818 VBMSPIVUPHYXJM-NRFANRHFSA-N 352.478 4.083 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 224933328 JICMJDSKRPXHJL-DYESRHJHSA-N 368.496 4.478 0 40 FIAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Oc1cccc(Cl)c1 225065468 IOHGMCFXEWRMMN-CQSZACIVSA-N 355.615 4.177 0 40 FIAB COc1cc(C)c(C(=O)N2CCN(c3ccccc3)CC2)cc1C(C)C 225656449 FVRTYABYLNXCSA-UHFFFAOYSA-N 352.478 4.089 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1snnc1-c1ccc(Cl)cc1 225770083 FLHNWRKRHHMOIV-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1Cl 244446998 YZNBCYLJZUYQIQ-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3ccn[nH]3)C2)cc1 257216263 CTTCHULBPMNPCA-GOSISDBHSA-N 361.445 4.155 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 408707241 IKUTZVZYZOCCEO-HJOIGYKYSA-N 374.500 4.290 0 40 FIAB COc1ccc(-c2ccc(C)c(NC(=O)c3csc4cncn34)c2)cn1 512984437 FTFCYBSZMORFPT-UHFFFAOYSA-N 364.430 4.027 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H](C)C1 525121536 RJBMBOUYBNFHAH-ZIFCJYIRSA-N 352.478 4.148 0 40 FIAB Cc1ccc(NC(=O)C2(CNC(=O)C3CCSCC3)CCCC2)cc1C 531150681 KETRSSBVCOWHSY-UHFFFAOYSA-N 374.550 4.062 0 40 FIAB Cc1nc([C@@H]2CCCN(Cc3cc(C(=O)O)sc3C)C2)sc1C 580719834 QZUUUCKRBFAHNR-CYBMUJFWSA-N 350.509 4.208 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 585148133 POJMQHQHMBJFSB-CQSZACIVSA-N 373.499 4.014 0 40 FIAB COc1ccc(C)cc1CCNC(=O)NC1(c2ccc(F)cc2)CCC1 590847757 NYKVAEPHYNKDKK-UHFFFAOYSA-N 356.441 4.064 0 40 FIAB CC(C)(C)c1cnc(NC(=O)NCc2ccnc(N3CCCCC3)c2)s1 608333596 QRWUIVFOYWDIBN-UHFFFAOYSA-N 373.526 4.148 0 40 FIAB CC(C)n1nccc1/C=C1/CCn2c1nc1cc(C(F)(F)F)ccc1c2=O 684563620 UCOVQMKKTVSUDD-XFXZXTDPSA-N 374.366 4.137 0 40 FIAB Cc1ccc([C@@H](CNC(=O)CCc2cccc(Cl)c2)N2CCCC2)o1 60355155 JZXFJSWHKCCIRB-GOSISDBHSA-N 360.885 4.127 0 40 FIAB CC(C)(C)OC(=O)NCc1nnc(SCc2ccc(Cl)cc2)o1 11999161 XUTABMLZLZILPM-UHFFFAOYSA-N 355.847 4.040 0 40 FIAB CCc1nc(SCC(=O)N2CCCC[C@@H]2C)c2c(C)c(C)sc2n1 1372140 LZUUBLPISAESAB-NSHDSACASA-N 363.552 4.364 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 2274640 IJWMWFJAADZGIM-NRFANRHFSA-N 360.413 4.475 0 40 FIAB CCc1ccc(Nc2nnc(SCC(=O)N[C@H](C)C(C)C)s2)cc1 3532131 RZSAVWMPFAAUMK-GFCCVEGCSA-N 364.540 4.097 0 40 FIAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 3898954 IADOLRJZGMQKNX-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB C[C@@H]1C[C@](CCN(CC#N)Cc2ccco2)(c2ccccc2)[C@@H](C)CN1C 22022735 KQLMCHVACXZLRA-MZKRTTBSSA-N 365.521 4.293 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2cccnc2)cs1 6790560 UHXSNGAJDSUWIB-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB CC(C)c1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 7009282 AOVDPGXWUKRLQT-AAWPKVBNSA-N 363.504 4.120 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 7928676 WRJWNKMZFLKRNU-IRXDYDNUSA-N 351.446 4.467 0 40 FIAB CCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC 10038121 YFWWXOLPLRSNMM-UHFFFAOYSA-N 362.809 4.177 0 40 FIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 710084 UOEDITWOFAYXSJ-KRWDZBQOSA-N 361.214 4.286 0 40 FIAB O=C(COc1ccccc1Br)Nc1nc2ccccc2s1 878778 HXYKODOQUGLBPP-UHFFFAOYSA-N 363.236 4.076 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)cc1 876267 WCGYSXZYPRLQAG-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccnc1 849446 NOEKOUCPUJAYLQ-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1COc2ccccc2O1 979213 MAEGVZVFZFILCZ-OAQYLSRUSA-N 361.397 4.044 0 40 FIAB CCOP(=O)(OCC)c1cc2c(nc1S)[C@@H]1C[C@@H]2[C@H]2CCC[C@@H]21 103902244 YVYSETWCPIFJKA-WUHRBBMRSA-N 353.424 4.263 0 40 FIAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cnc2ccccc2n1 12530055 DNHANEMXGRDQQV-UHFFFAOYSA-N 365.396 4.197 0 40 FIAB COc1ccc(CCN(C)Cn2c(=S)oc3ccccc32)cc1OC 3258727 AKRWRJQIPHUBEA-UHFFFAOYSA-N 358.463 4.113 0 40 FIAB C[C@H](c1ccccc1Cl)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 57250987 YGPPSLGNPNFWMT-YEBMWUKDSA-N 361.894 4.443 0 40 FIAB O=C(N/C(=C\c1ccccc1)[P@](=O)(O)c1ccccc1)c1ccccc1 26687809 BONKWPZSKJDBKZ-CAPFRKAQSA-N 363.353 4.011 0 40 FIAB C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1 48282202 APDSNDIBTWQTPX-SCLBCKFNSA-N 361.401 4.188 0 40 FIAB Cc1ccc(-c2nc(CN3CCC[C@@H]3c3nnc4ccccn34)co2)cc1 48287034 HTAUEKCFMHUAJY-GOSISDBHSA-N 359.433 4.030 0 40 FIAB C[C@]1(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CC1(Cl)Cl 28636257 WTHYNNHUMIMZLB-MRXNPFEDSA-N 352.265 4.285 0 40 FIAB CCc1nc2ccc(C(=O)Nc3nc(C4CC4)cs3)cc2nc1CC 23135012 QGOSKQZGXMUVIV-UHFFFAOYSA-N 352.463 4.341 0 40 FIAB O=C(O)c1cccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)c1 58344313 XNDWTLRGDVJGPH-UHFFFAOYSA-N 353.399 4.337 0 40 FIAB CCCc1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 11870368 CDVKZXKGTVJEHM-UHFFFAOYSA-N 361.445 4.263 0 40 FIAB O=C(C[S@](=O)Cc1c(Cl)cccc1Cl)NC1CCCCCC1 69818541 GPBBELVYPJQABA-QFIPXVFZSA-N 362.322 4.081 0 40 FIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(SC(F)F)cc1 8726475 DTSSPVIQEQKIMM-UHFFFAOYSA-N 374.412 4.457 0 40 FIAB CC[C@@H](C)[C@H](C(=O)O)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 5031251 UAJTZFAZHIEZAX-CRAIPNDOSA-N 350.418 4.127 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170583737 LUDAZEDFVQHXBU-UHFFFAOYSA-N 362.433 4.406 0 40 FIAB CCCCC1=NN(C(=O)c2ccc(Cl)c(C)c2)[C@@](O)(C(F)(F)F)C1 409181521 CMQBMBWOORPGCB-HNNXBMFYSA-N 362.779 4.291 0 40 FIAB COCCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)cc12 4622746 UZCRQDMUMURZLE-UHFFFAOYSA-N 359.809 4.101 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCCC4)c(C)c3cc12 4743806 WNFFNNNQQPTMSJ-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NCC3CCCCC3)o2)cc1 5863926 OKPTXYHEOFQXOK-CQSZACIVSA-N 359.495 4.222 0 40 FIAB CCOC(=O)c1cc(-c2ccccc2)nc2nc(N(CC)CC)sc12 5937369 GUAYXBOHGZCCLV-UHFFFAOYSA-N 355.463 4.381 0 40 FIAB O=c1oc2ccccc2n1CN1CCC(c2nc3ccccc3s2)CC1 7141983 QXNHYTTXJUSBCH-UHFFFAOYSA-N 365.458 4.041 0 40 FIAB C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N1CCc2ccccc21 7503667 XNAFKHQBGHZMBF-OLZOCXBDSA-N 365.502 4.233 0 40 FIAB O=C(COc1ccc(F)cc1)N(Cc1ccco1)Cc1ccccc1F 9205004 TVKAJMQHWNZIHD-UHFFFAOYSA-N 357.356 4.166 0 40 FIAB CC(C)OC1CCC(N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 96003193 SKPYXSFULBZORD-VXGVFTFCSA-N 356.554 4.223 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(NC(=O)c2cccs2)c1 8134409 VAZVTMPOSOVPBS-UHFFFAOYSA-N 362.414 4.129 0 40 FIAB C[C@@H]1CC(=O)c2c(OCC(=O)N[C@@H]3CCCc4ccccc43)ccc(F)c21 8324549 LPLDOKXHHSWTSC-CXAGYDPISA-N 367.420 4.088 0 40 FIAB CCOC(=O)c1sc2[nH]c(/C=C/c3ccc(C)s3)nc(=O)c2c1C 9589448 QLGPDSVUBAZSBS-BQYQJAHWSA-N 360.460 4.010 0 40 FIAB O=C(NCc1ccc(F)c(Cl)c1)c1cn[nH]c1-c1cccc(Cl)c1 72328860 ANNDQHYQMADCFH-UHFFFAOYSA-N 364.207 4.453 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc2ccccc2c1 9835297 ZRYWTBLFGTZWJU-UHFFFAOYSA-N 374.484 4.477 0 40 FIAB Nc1c(Cl)cc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl 84519340 DSZIQXWTIPVVID-KRWDZBQOSA-N 364.276 4.351 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1ccc(N2CCCC2)cn1 95349931 PYMZMKKDZDSBCI-UHFFFAOYSA-N 370.503 4.022 0 40 FIAB C[C@H]1CN(CCc2cccc(NC(=O)c3ccnc(Cl)c3)c2)C[C@@H]1C 95992875 MNDICUAYTKIMGP-GJZGRUSLSA-N 357.885 4.118 0 40 FIAB CC(=O)Nc1ccc(/C=C/C(=O)N2CC[C@H](C)C3(CCCCC3)C2)cc1 95943436 GBBXHVBSDAIHKC-YRYLYKBFSA-N 354.494 4.477 0 40 FIAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C 89505740 DKNKBEGMDURAME-JLTOFOAXSA-N 353.510 4.045 0 40 FIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1F 27664518 XVTOKWSUCKUBLQ-LJQANCHMSA-N 360.860 4.436 0 40 FIAB CCN(Cc1ncc(-c2ccc(F)cc2)o1)C[C@@H]1COc2ccccc2O1 31174656 RKPVUJLFOKZUPC-QGZVFWFLSA-N 368.408 4.143 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccccc1F 30869523 ZHSORJVFMATLLQ-IBGZPJMESA-N 361.482 4.341 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(OC)cc1 30848478 LCYMAPLKXOQNRT-PMACEKPBSA-N 357.450 4.129 0 40 FIAB Cc1cc(-c2nnc(NC(=O)c3csc(-c4ccccc4)n3)o2)c(C)o1 56904850 WJXQVCMSMOHYPY-UHFFFAOYSA-N 366.402 4.322 0 40 FIAB CCSc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 30848172 DYYHVQYSSGKZHP-UHFFFAOYSA-N 354.475 4.173 0 40 FIAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72349107 ZSCAEFBRKQXXKB-OAQYLSRUSA-N 371.484 4.396 0 40 FIAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC2(CC1)OCCS2 70637316 QFNGJVYHZODUQG-UHFFFAOYSA-N 367.470 4.006 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(C)c2)ccc1Cl 216363152 NLIHVZGBSPKTBO-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CN(C)c1ncc(CN[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cn1 72337864 VCFQAMJNDXRJDL-ZRNYENFQSA-N 370.928 4.258 0 40 FIAB Cc1noc(C)c1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccc1 49545420 AFQVZUIZWFDSID-QGZVFWFLSA-N 354.435 4.210 0 40 FIAB CCc1ccc(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)cc1 72329496 UJQCCDDGNXEZKY-UHFFFAOYSA-N 352.409 4.183 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CCCOc3ccc(C)cc3)ccc21 225098220 UNTDTMNMKAATTM-UHFFFAOYSA-N 370.474 4.189 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 224690522 JTQBECODJKMEII-ROUUACIJSA-N 367.489 4.225 0 40 FIAB Cc1ccccc1OCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225617604 FYUOSAOEUGDTEC-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB Cc1cccc(OCC(=O)NCCCc2ccc(OC(C)C)cc2)c1C 222819403 AHJIPMQIJIEIJC-UHFFFAOYSA-N 355.478 4.218 0 40 FIAB C[C@H]1CN(c2cc(F)cc(NC(=O)[C@@H](C)c3ccsc3)c2)C[C@@H](C)O1 569609584 TWWHQAZIUFTHDX-MJBXVCDLSA-N 362.470 4.243 0 40 FIAB CC(C)Oc1cccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222579701 FWANPHAVPSLNOD-JVPBZIDWSA-N 353.491 4.458 0 40 FIAB Cc1cc(Br)cnc1NC(=S)NCc1ccc(Cl)cc1 223929480 QEQQCVAJCZPZSY-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB O=C(c1cccc(I)c1)c1ccc(F)c(Cl)c1 43210034 FYTQUYIRBYAYKF-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB COC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1 225322264 WHUOOECSWQLIRR-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(Oc3cc(Cl)nc(N)n3)cc2)c1 43534514 VDCISKXCNPETGN-UHFFFAOYSA-N 354.797 4.065 0 40 FIAB O=[S@@](CCSC(=S)N1CCCC1)c1cc(Cl)ccc1Cl 84343875 HRBAUAZUCXUVOC-HXUWFJFHSA-N 368.376 4.215 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(C)n2-c2cccc(C)c2)cc1 5360119 HSRMHRROYQSYJI-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB CCC(=O)Oc1ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 4340121 MQETVTCYTIMLFZ-UHFFFAOYSA-N 368.385 4.101 0 40 FIAB biogenic O=C(NCCc1c[nH]c2cc(F)c(Cl)cc12)[C@@H]1CCCC(F)(F)C1 629620674 BGAQFGUCNUNGSN-SNVBAGLBSA-N 358.791 4.445 0 40 FIAB Cc1ccc(C)c([C@H](C)NS(=O)(=O)c2ccc(Br)s2)c1 13649041 PEBSYHRHUKGEFI-NSHDSACASA-N 374.325 4.167 0 40 FIAB Cc1ccc(-n2ncc3c(SCC(=O)c4ccccc4)ncnc32)c(C)c1 4341774 QMCLAXZROMAPAC-UHFFFAOYSA-N 374.469 4.407 0 40 FIAB Cc1ccc(NC(=O)Nc2nnc(SCc3cccnc3)s2)cc1C 5253980 DMLUKBAJRWFPEB-UHFFFAOYSA-N 371.491 4.486 0 40 FIAB O=C(Nc1cccc2ccccc12)c1cccn(Cc2ccc(F)cc2)c1=O 5268978 IHXDYTPDIRLSFH-UHFFFAOYSA-N 372.399 4.441 0 40 FIAB Cc1nc(CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)cs1 2086889794 HTCNWFSYJTYIRK-UHFFFAOYSA-N 358.898 4.428 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 38710395 KDFNOLHLSNGJJA-DHZHZOJOSA-N 372.424 4.130 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1 4331180 NUFMOVWLKLIUDJ-UHFFFAOYSA-N 360.822 4.297 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1c(C)noc1C(C)C 32738442 ZCFPITZBMLIMPI-UHFFFAOYSA-N 366.465 4.181 0 40 FIAB CCN(CC)C(=O)CSc1nc2ccccc2n1Cc1ccccc1 645148 YRQGESVNELHDPU-UHFFFAOYSA-N 353.491 4.045 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 803437 BHEWHSALTXIQKW-UHFFFAOYSA-N 370.792 4.203 0 40 FIAB CCCCOC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 1797627 OUIOXAJSUFHHKO-UHFFFAOYSA-N 364.825 4.047 0 40 FIAB CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC)ccc3c2=O)cc1 2102678 KIUCFAZTMXXADL-UHFFFAOYSA-N 368.385 4.469 0 40 FIAB biogenic O=C(CCCSc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 2644501 LLEXBNFBQZABFV-UHFFFAOYSA-N 363.866 4.257 0 40 FIAB CC(C)c1ccc(S(=O)(=O)c2cc3cc(Cl)ccc3oc2=O)cc1 2686661 ARDMTMWGQBQNQR-UHFFFAOYSA-N 362.834 4.403 0 40 FIAB COc1cc(C(=O)CSc2ccc(Cl)cc2)cc(OC)c1OC 3224717 SXFZYUBATWVJRH-UHFFFAOYSA-N 352.839 4.341 0 40 FIAB Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)c(O)c1 3302470 AHTZDFZDFJKHAM-UHFFFAOYSA-N 363.236 4.325 0 40 FIAB CC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 3350509 ZZFPAKSPPGGCES-AWEZNQCLSA-N 355.438 4.202 0 40 FIAB C[C@H]1CC[C@H](OC(=O)CCC(=O)Nc2nc3ccccc3s2)C[C@@H]1C 4112005 LCVNWZHECOZDNA-IHRRRGAJSA-N 360.479 4.383 0 40 FIAB Cc1ccc(C(=O)Oc2ccccc2-c2nncn2-c2ccccc2)cc1 4707659 YGIUDSVGDLFBOX-UHFFFAOYSA-N 355.397 4.462 0 40 FIAB CCOc1ccccc1C(=O)N(CC)c1nnc(-c2cccc(F)c2)s1 4982558 XQHLKSWCOZVTMW-UHFFFAOYSA-N 371.437 4.410 0 40 FIAB Cc1ccccc1-n1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21 5021713 ARCXIQDITLXLRY-UHFFFAOYSA-N 374.444 4.277 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1I 6152998 OGIMMBVIWGEEQW-JXMROGBWSA-N 367.161 4.082 0 40 FIAB CCCCCC(=O)NC(=S)Nc1nc2cc(Cl)c(OC)cc2s1 6397070 WJPDENKDBOCEGB-UHFFFAOYSA-N 371.915 4.352 0 40 FIAB CC(C)[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 6507824 HGAOPUPJNKFPHG-AWEZNQCLSA-N 363.248 4.392 0 40 FIAB Cc1ccc2nc(SCC(=O)Nc3ccccc3OC(F)F)[nH]c2c1 6536936 OPQUABPRDKDXKL-UHFFFAOYSA-N 363.389 4.204 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)c1ccccc1SC[C@@H]1CCCO1 7922486 DYFQKDLTSNHQAV-YJBOKZPZSA-N 369.486 4.211 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1COc2ccc(Cl)cc2C1 7957413 UXWWUFNKLGXFPX-LLVKDONJSA-N 353.752 4.131 0 40 FIAB Cc1ccc([C@H](NC(=O)c2ccc(-n3cncn3)cc2)c2ccccc2)cc1 8133528 AXUPILRPNJFIBM-JOCHJYFZSA-N 368.440 4.095 0 40 FIAB O=C(Cc1ccccc1)NC(=S)Nc1nc2c(Cl)cccc2s1 9140737 FUANDHHAIHHRFJ-UHFFFAOYSA-N 361.879 4.005 0 40 FIAB COc1ccc(-c2nc(CC(=O)Nc3cc(C)ccc3O)cs2)cc1 9481311 PRYNAESMSDFITG-UHFFFAOYSA-N 354.431 4.014 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)Nc1cc2c(cc1Cl)OCO2 9732417 DKAXJUIMNVPUOA-AATRIKPKSA-N 367.735 4.322 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3o2)c(OC)c1 9753472 LSZKMPVGCQERPC-KRWDZBQOSA-N 351.402 4.427 0 40 FIAB Cc1cccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1 10507207 GPCPJLBSUKIKII-UHFFFAOYSA-N 358.445 4.379 0 40 FIAB CCOC(=O)Nc1ccc(N2CCn3c(nc4cccc(Cl)c43)C2)cc1 12413594 TVORKFHLCLSDTG-UHFFFAOYSA-N 370.840 4.278 0 40 FIAB Cc1ccc2c(c1)S[C@H](C(=O)N[C@@H](C)c1ccc(-n3ccnc3)cc1)C2 12550359 TXNDKEWOBFZYFT-YWZLYKJASA-N 363.486 4.075 0 40 FIAB CN(CCCNC(=O)c1cccnc1Oc1ccccc1)c1ccccc1 12556414 ZYDDNLSXUNUVDD-UHFFFAOYSA-N 361.445 4.130 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)Cc2coc(-c3ccccc3)n2)c(C)c1 12793156 BQJNDMRHAVKHAV-UHFFFAOYSA-N 363.461 4.337 0 40 FIAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1nc(-c2ccccc2)cs1 14898295 KWPCPCBDLOWUMZ-UHFFFAOYSA-N 360.442 4.177 0 40 FIAB O=C(Cc1ccccc1F)Nc1cc(C(F)(F)F)ccc1-n1cccn1 15640665 IICBKVHWZOEUNG-UHFFFAOYSA-N 363.314 4.211 0 40 FIAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)O 15837006 RHGCCTDOGPUFRI-YRPNKDGESA-N 350.414 4.004 0 40 FIAB O=S(=O)(NCc1cccs1)c1ccc(Cl)c(Cl)c1Cl 16780488 FLRYFIMJQPROPS-UHFFFAOYSA-N 356.683 4.187 0 40 FIAB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O 19325154 ORRWSTGAXZMBAZ-UHFFFAOYSA-N 367.320 4.389 0 40 FIAB CCn1cc(-c2cc(C(=O)Nc3ccc4nc(C)sc4c3)on2)c(C)n1 19524730 GFRCXIQQDNBDKW-UHFFFAOYSA-N 367.434 4.037 0 40 FIAB CC(=O)Nc1sc2c(c1[C@@H](c1ccccc1)N1CCOCC1)CCCC2 20192232 HENWYWSAKFBRCR-HXUWFJFHSA-N 370.518 4.007 0 40 FIAB CCCn1nc(NC(=O)COc2cccc(C)c2)c2cc3ccccc3nc21 21596648 YMKLWWJMCVIWFN-UHFFFAOYSA-N 374.444 4.320 0 40 FIAB CCCc1noc(CSc2nnc(Nc3cccc(F)c3)s2)n1 24988385 KCGLQBYWZGLMTK-UHFFFAOYSA-N 351.432 4.049 0 40 FIAB CCOc1ccc(-c2c(C)s/c(=N\c3ccccc3)n2CCO)cc1 27299516 HFQZMPCYFCJAKO-MRCUWXFGSA-N 354.475 4.148 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccco2)c1[C@H]1C(=O)Nc2c(Cl)cccc21 32094412 PLGGGEQUJJQQOH-AWEZNQCLSA-N 370.792 4.107 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-c2nc(C)no2)cc1 32908330 SGKXWUCHXJVOPM-UHFFFAOYSA-N 361.854 4.422 0 40 FIAB CSCc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)o1 34801144 QDESZVDTMKLVIL-FRRDWIJNSA-N 358.529 4.029 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)cc1 35289360 GOMUZFPNMKRVJR-LJQANCHMSA-N 351.450 4.192 0 40 FIAB COc1ccc(-c2nnc3sc(/C=C/c4cccs4)nn23)cc1OC 35325838 KYFNGXBOZGPJSH-SOFGYWHQSA-N 370.459 4.102 0 40 FIAB Cc1ccc(/C=C2\S/C(=N/c3ccccc3Br)NC2=O)o1 35646927 YIVXRXZSELZTIC-JYRVWZFOSA-N 363.236 4.242 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 36171628 VMFTWSHDDHALQL-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1c1ccncc1 36700775 IVHDZLGLVFOCJR-GOSISDBHSA-N 365.408 4.172 0 40 FIAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C)c(F)c2)no1 46632224 LRTZQDMVJYCHKW-UHFFFAOYSA-N 357.410 4.370 0 40 FIAB CC(C)(C)C[C@@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccc(F)cc1 48345868 MYCXOFWHVHTSCL-LJQANCHMSA-N 374.500 4.068 0 40 FIAB CCOc1ccc(Nc2cc(N)nc(-c3ccc(OCC)cc3)n2)cc1 49468082 ZUQVSDJGURRKMO-UHFFFAOYSA-N 350.422 4.267 0 40 FIAB COc1ccc(N(C(=O)Cc2noc3ccccc23)[C@@H](C)C2CC2)cc1 58151714 JZSQMMIVPOMLNL-AWEZNQCLSA-N 350.418 4.211 0 40 FIAB COc1ccc2[nH]cc(C3CCN(C[C@H](O)c4cccc(F)c4)CC3)c2c1 60039659 SZMVBCMOVIBEKD-QFIPXVFZSA-N 368.452 4.229 0 40 FIAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cccc(OC(F)F)c1 60245457 PDEKHGRVBDMFRB-UHFFFAOYSA-N 371.170 4.353 0 40 FIAB CN1CCC(=C2c3ccc(Br)cc3CCc3cccnc32)CC1 65739856 KJSNJESAJZNSSK-UHFFFAOYSA-N 369.306 4.470 0 40 FIAB in-vitro Cc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCOC3=O)cc2)cc1C 68123762 VMPNRDQGBJCBRH-HXUWFJFHSA-N 364.445 4.237 0 40 FIAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2cccs2)c1 68489741 ZVAQFCIENHIWPN-CJNGLKHVSA-N 373.478 4.091 0 40 FIAB CCn1ccc2cc(NC(=O)Nc3cccc(N4CCOC4=O)c3)ccc21 69413802 DOGCABPESNYAEB-UHFFFAOYSA-N 364.405 4.262 0 40 FIAB Clc1ccc(-c2noc(CN3CC[C@H](Nc4ccccc4)C3)n2)cc1 69951145 SIQFODYFGAKDSQ-KRWDZBQOSA-N 354.841 4.076 0 40 FIAB O=C(OCc1cccc(Cl)c1)C1CN(Cc2cccc(Cl)c2)C1 72202921 VPKAOSJJLXJMEW-UHFFFAOYSA-N 350.245 4.169 0 40 FIAB CN(c1ccccc1)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72214242 HLSVVGFGECIIDX-UHFFFAOYSA-N 369.465 4.337 0 40 FIAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)c3ccncc3)n2)cc1 72357813 WNLYLUXLUCGLPO-JOCHJYFZSA-N 357.457 4.353 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(Oc2cccc3[nH]ccc23)nc1 72400995 BRRMQKPTBVOQLP-UHFFFAOYSA-N 359.385 4.373 0 40 FIAB Cc1ccc(-c2ncc(CN3CCO[C@@H](c4nccs4)C3)s2)cc1 92832030 BUYYDLNYZQFJAG-MRXNPFEDSA-N 357.504 4.149 0 40 FIAB Cc1nc(-c2ncccn2)sc1C(=O)O[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 95364748 GVHZIUTZYULEME-GHYVTOPFSA-N 357.479 4.136 0 40 FIAB C[C@@H](CNc1ccc(OCC(F)(F)F)c(C(N)=O)c1)Cc1ccccc1 96013612 OKOICXMNAGYGEC-CYBMUJFWSA-N 366.383 4.017 0 40 FIAB CCn1nc(C)c(NC(=O)c2ccc(Oc3ccccc3OC)o2)c1C 96182551 HWFMAWAAKVVREE-UHFFFAOYSA-N 355.394 4.166 0 40 FIAB O=C(Nc1ccccc1)N1CCC2(CN(Cc3ccc(Cl)cc3)C2)C1 96202468 IQXHMQBHBSYSMK-UHFFFAOYSA-N 355.869 4.080 0 40 FIAB Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211277 GHZGOHSCLVKRPI-UHFFFAOYSA-N 372.428 4.461 0 40 FIAB CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@H](C4)[C@H]23)cc1 101113412 OKSBTXFKAFWJRO-HUHANWACSA-N 358.532 4.155 0 40 FIAB CCOc1ccccc1N1C(=S)N[C@@H]2C[C@]1(C)Oc1c(OC)cccc12 101184310 ZLNREPOYLCCEAZ-VLIAUNLRSA-N 370.474 4.028 0 40 FIAB CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCCC2)cc1 101875982 ONNAPVOALPXEIZ-UHFFFAOYSA-N 358.445 4.187 0 40 FIAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCC1=CCCCC1 222756413 BNTTUXPAYQURJG-GOSISDBHSA-N 356.510 4.066 0 40 FIAB COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1Cl 223127938 IIURFNQXWYWUNS-UHFFFAOYSA-N 358.825 4.036 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Sc2ncccn2)nc1)c1ccccc1 223958991 UWOWGETYXVWJOM-CYBMUJFWSA-N 367.503 4.070 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1)CCCC2 224400713 KRVXIBPXYQMRPE-UHFFFAOYSA-N 369.845 4.167 0 40 FIAB O=S(=O)(NCCc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 224480861 VGKGKXWCOFQTIY-UHFFFAOYSA-N 371.433 4.139 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)s1 224797320 RBFSJRCUCKBTFT-JTQLQIEISA-N 371.915 4.346 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)c(C)c1 225154660 GSQKBMZRZXLQJA-QGZVFWFLSA-N 365.520 4.155 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NC(C)(C)Cc2ccccc2)CC1 225339295 ZFVXROMSRXXXLG-UHFFFAOYSA-N 364.533 4.345 0 40 FIAB Nc1ccc(NC(c2ccccc2)c2ccccc2)c(C(=O)NC2CC2)c1 225496984 VGSSTWXKFVNJQX-UHFFFAOYSA-N 357.457 4.363 0 40 FIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1ccccc1C(F)(F)F 225604791 GFWMLYSJLBQHID-GFCCVEGCSA-N 364.367 4.393 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)Nc2nnc(-c3ccccc3)s2)c1 225776284 ZVSUOEKJHJIRAV-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB CC(C)c1nc([C@H]2CCCN2c2ncnc3sc4c(c23)CCC4)no1 329504142 LCVBXEGOJOFVPN-GFCCVEGCSA-N 355.467 4.028 0 40 FIAB CC(C)C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 408627117 KJDMVTVUIWHXGS-UHFFFAOYSA-N 372.881 4.352 0 40 FIAB CC(C)C1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(C(F)(F)F)C1 409058916 ZNXKOEILJGTILP-QGZVFWFLSA-N 356.388 4.093 0 40 FIAB COc1ccc2oc(=O)c(C3=CS[C](Nc4ccc(C)cc4)N3)cc2c1 409416319 YGYGSUOAAQIPIT-UHFFFAOYSA-N 365.434 4.304 0 40 FIAB C[C@H]1CN(C(=O)c2ccccc2)O[C@@H](c2ccc(Cl)cc2Cl)O1 1026858 BDYRJVFUMVKXBZ-GTNSWQLSSA-N 352.217 4.485 0 40 FIAB CCc1nc(SCC(=O)N2CCCCCC2)c2c(C)c(C)sc2n1 1372161 BTPMTSHFIXUWNM-UHFFFAOYSA-N 363.552 4.365 0 40 FIAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)N[C@@H]1CCCC[C@@H]1C 103339167 YYFNMHKLLLYIBA-RWMBFGLXSA-N 374.535 4.120 0 40 FIAB COc1ccc(-c2n[nH]c(SCCOc3cccc(Cl)c3)n2)cc1 22206600 OLGJMLLCMKQWIP-UHFFFAOYSA-N 361.854 4.305 0 40 FIAB CC(=O)c1ccccc1NC(=O)CSC1=Nc2ccccc2CS1 6588180 MBCCRWVNOIWROT-UHFFFAOYSA-N 356.472 4.495 0 40 FIAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 6709350 IQBZUYXIMPBSNX-UHFFFAOYSA-N 369.490 4.285 0 40 FIAB COc1ccc(OC)c(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)c1 6866146 PVDIVKWCCQMENM-YBEGLDIGSA-N 357.793 4.010 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 7928103 LMXWUGYQTFVIAI-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1nc2cc(C(=O)OCC(=O)C(C)(C)C)ccc2n1-c1ccccc1 8164478 CMIWBABNLZLZST-UHFFFAOYSA-N 350.418 4.106 0 40 FIAB COc1ccc(/C=C/C(=O)N2CCCC[C@H]2Cc2ccccc2)cc1OC 58165957 XHSXRLCLUJBLJK-PKHIPVCBSA-N 365.473 4.341 0 40 FIAB c1ccc(Cn2c(NCc3ccc4c(c3)OCO4)nc3ccccc32)cc1 972654 BZCUFKHRUHTPHD-UHFFFAOYSA-N 357.413 4.425 0 40 FIAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccnc2ncnn12 3105334 QTUSYICJLREMNY-SSDOTTSWSA-N 359.764 4.045 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccccc2)c1 1396440 HRYMMJBWGLQPHG-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB CCCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl 1447769 MMVWUFDNMKGEOG-UHFFFAOYSA-N 355.869 4.197 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(Cl)cc1 3208956 GLYPRHHHUFEITD-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB CC(C)n1nccc1NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1 48290077 KWJFULKBFQIBMD-HNNXBMFYSA-N 350.422 4.251 0 40 FIAB CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1OC 106956853 LBNNKHKROJPNCY-UHFFFAOYSA-N 366.255 4.477 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1OCC(F)(F)F 10115880 MOIWLVAVPXDZIA-UHFFFAOYSA-N 363.339 4.075 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 95392603 BUOUMEJMTLGMNA-STQMWFEESA-N 372.519 4.042 0 40 FIAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccccc1F 3302598 DOMXHEOZJSSQHW-UHFFFAOYSA-N 369.417 4.253 0 40 FIAB CCCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2428161 ASBDOOITIVGKCY-UHFFFAOYSA-N 360.417 4.031 0 40 FIAB COc1cc(OC)c(NC(=O)CCC(=O)c2cccs2)cc1Cl 11601444 XLQGEPBQSGBEOL-UHFFFAOYSA-N 353.827 4.020 0 40 FIAB C[C@H](c1ccc(F)cc1F)n1nnc(-c2cccc(C(F)(F)F)c2)n1 59927487 GOJZSWUCFNPTMM-SECBINFHSA-N 354.282 4.246 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1Cl 3572898 YMFVGUGSEUGPKW-UHFFFAOYSA-N 360.822 4.054 0 40 FIAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)nc2ccccc12 3505834 LMSFLJUUZMPJBA-ZDUSSCGKSA-N 366.442 4.391 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1N1CCCC1=O 12927009 BPZVWSPKOCIGPM-CQSZACIVSA-N 372.852 4.181 0 40 FIAB CCCCN(CCCC)Cc1c(C)nc2ccc(C(=O)OC)cc2c1O 8714047 HVBIJGHVSUPGJF-UHFFFAOYSA-N 358.482 4.438 0 40 FIAB O=c1[nH]c(SCc2ncc(-c3ccc(F)cc3)o2)nc2sccc12 8762411 IGUPCYFCCBFRTI-UHFFFAOYSA-N 359.407 4.071 0 40 FIAB Cc1cc(C)cc(-n2ncc3c2ncn2c(-c4ccccc4C)nnc32)c1 5244571 MXGNQTCFTOHZBF-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccnc(NC2CC2)c1 65487565 KMISXCQVLRTMJC-UHFFFAOYSA-N 354.410 4.171 0 40 FIAB OCc1cc(Br)cc(Br)c1OCc1ccccc1 14084936 ANPFENCZVQQRDJ-UHFFFAOYSA-N 372.056 4.283 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 14182104 VJOPKOCWZFUCQO-SNVBAGLBSA-N 372.471 4.400 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(O)=Nc2nc3ccccc3n21 8996720 MYZDBRYNYIFZAD-AWEZNQCLSA-N 374.322 4.227 0 40 FIAB CC(=O)Nc1cccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 5462172 ABSPCBSIRGQAKA-OAHLLOKOSA-N 362.429 4.054 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2F)c(C)c1 5534756 HESKTEWKKWZPLN-UHFFFAOYSA-N 372.259 4.314 0 40 FIAB Fc1cccc(-n2ccnc2SCc2nnc(-c3ccccc3)o2)c1 6653084 XRYYJRYDGZJRMK-UHFFFAOYSA-N 352.394 4.354 0 40 FIAB COc1ccc2cc(C(=O)NCCOc3ccccc3Cl)ccc2c1 4761234 UFOZJAIZDVPNBV-UHFFFAOYSA-N 355.821 4.311 0 40 FIAB CCOCCSc1nc2c(c(=O)[nH]1)[C@H](C1CCCC1)Cc1ccccc1-2 5690553 NBHYGBWSQKKJJN-KRWDZBQOSA-N 370.518 4.395 0 40 FIAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(OC)c(OC)c3)c2c1 5658809 VHPAETAPHRFCFV-UHFFFAOYSA-N 352.390 4.091 0 40 FIAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1OC 7820592 LFMODPZJENTJPL-UHFFFAOYSA-N 374.487 4.127 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 7903893 AHDBAYIEDBFART-ZDUSSCGKSA-N 356.495 4.024 0 40 FIAB Cc1sc2ncnc(NCc3cccc(NC(=O)C4CC4)c3)c2c1C 9335798 BSAVJNHFPOTLHE-UHFFFAOYSA-N 352.463 4.269 0 40 FIAB CCOc1cc2c(cc1NCC(=O)Nc1ccccc1SC)O[C@@H](C)C2 9339302 JWYNNZVAPBZLIW-ZDUSSCGKSA-N 372.490 4.181 0 40 FIAB CC(C)S(=O)(=O)c1ccc(CC(=O)OC2CCCCCCC2)cc1 96004875 OWZLDLIPUCILLL-UHFFFAOYSA-N 352.496 4.067 0 40 FIAB O=C(Nc1nccc2sccc12)c1ccc(F)cc1Br 96012025 FOMDOQBUKIUUOG-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB Cc1noc([C@H]2CCCN(C(=O)N[C@H](C)c3oc4ccccc4c3C)C2)n1 69439931 XAHMTNKNIJOEHS-HIFRSBDPSA-N 368.437 4.083 0 40 FIAB CCOCc1c(C(=O)Nc2ccc3c(c2)OCCCO3)oc2ccccc12 9544929 IYNGFEMYHNPFOI-UHFFFAOYSA-N 367.401 4.383 0 40 FIAB c1cnc2c(-c3nnc(-c4cnc5onc(C6CC6)c5c4)o3)cccc2c1 71890734 NBOUXYNHZVXORR-UHFFFAOYSA-N 355.357 4.365 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 28220911 HLSOLTMMQBGQND-APWZRJJASA-N 356.897 4.429 0 40 FIAB CC(C)c1nc(-c2noc(-c3ccc4c(c3)NC(=O)C4(C)C)n2)cs1 1548451768 CFFNVGXUGZHHBW-UHFFFAOYSA-N 354.435 4.213 0 40 FIAB CC(C)NC(=O)Nc1cccc(-c2nc(-c3ccc4ncccc4c3)no2)c1 546345900 GQUPCKQMMOLIKY-UHFFFAOYSA-N 373.416 4.482 0 40 FIAB CC1(C)OC[C@H]([C@@H](c2nc3ccccc3s2)N(O)Cc2ccccc2)O1 3847535 WSKWYSZWJBFBHM-AEFFLSMTSA-N 370.474 4.380 0 40 FIAB biogenic Cc1cccnc1Nc1cncc([C@@H]2CCCN(CCc3ccccc3)C2)n1 72354330 KPNHKVUSNLGJBB-HXUWFJFHSA-N 373.504 4.346 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3ccc(C)c(C)c3)n2)cc1 31848806 XXSWUACOGGZHJR-UHFFFAOYSA-N 366.486 4.408 0 40 FIAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(c2ccco2)c2ccco2)c1C 670649430 JKQKQFQIROOPPN-UHFFFAOYSA-N 373.474 4.217 0 40 FIAB Cn1cc(/C=C2\SC(=O)N=C2Nc2cc(Cl)cc(Cl)c2)cn1 72401520 QRRSXRVIPNPJML-OIXVIMQBSA-N 353.234 4.445 0 40 FIAB O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCCCCC1 40373192 UGWAIEFACIACGF-QFIPXVFZSA-N 353.506 4.072 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 222842075 RKFJZEUPWDGUDI-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1ccccc1N1CCc2sccc2C1 40134162 ZLPJFWOHGCCQRG-UHFFFAOYSA-N 367.474 4.097 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCC1(c2cccc(C)c2)CCOCC1 225042192 KMZMUOPVDQGXOS-UHFFFAOYSA-N 373.880 4.135 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccccc2)s1 222874199 LTBUDAONVDXAAK-MRXNPFEDSA-N 369.446 4.010 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccccc1Cl 225440549 CUGMORXUJOSADB-KRWDZBQOSA-N 359.853 4.310 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)CCc2ccccc2)c1 225514972 DJQOMPLIYOGSCG-INIZCTEOSA-N 370.518 4.479 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225538377 DEDFHGDFRNWPNI-INIZCTEOSA-N 367.518 4.478 0 40 FIAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224947496 PBZZLBNCUICSKA-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c(C)c1 95915140 KWCXCVIUSJKJEU-CQSZACIVSA-N 363.244 4.354 0 40 FIAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCc1ccccn1)n2C 96146408 VHCIDZNMXBXIHM-UHFFFAOYSA-N 360.461 4.081 0 40 FIAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@@H]3c2ccsc2)cc1 95477502 JITZXCQQEWGCCU-OAHLLOKOSA-N 371.443 4.056 0 40 FIAB Cc1cccc(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)c1 95116373 ZABIKRGZFMKBBT-UHFFFAOYSA-N 373.865 4.374 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 242894061 GNSBOCSXEYJZNV-LJQANCHMSA-N 364.489 4.420 0 40 FIAB COCCN1C(=O)N(c2ccc(F)cc2)[C@@H]2[C@H](c3cccc(F)c3)CC[C@@H]21 257278397 OCBXXCRWYDFMSD-SLFFLAALSA-N 372.415 4.168 0 40 FIAB O=C(O)/C=C/c1ccc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 257200521 ADRDWLHSMMFZTR-SJFMBGHLSA-N 361.445 4.388 0 40 FIAB Cc1cc(N(C)[C@@H]2CCCc3nc(C)sc32)nc(-c2cccnc2)n1 110099048 WENRMKZJEUQBFF-MRXNPFEDSA-N 351.479 4.126 0 40 FIAB Cc1sc([C@H](C)N[C@@H](C(=O)O)C2CC2)nc1-c1ccc(Cl)cc1 635017273 STHIKJUHKBBBTK-BJOHPYRUSA-N 350.871 4.286 0 40 FIAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccc2ncsc2c1 96119891 ZRDFPBDNZOUKLF-UHFFFAOYSA-N 368.439 4.112 0 40 FIAB CC(=O)N1CC[C@H](NCc2c(C)cccc2Cl)[C@H](Cc2ccccc2)C1 585284369 FBQPQHMVJQFSDX-KNQAVFIVSA-N 370.924 4.218 0 40 FIAB CC(=O)c1cc(C(=O)N2CCCN(C)c3ccc(Cl)cc32)c(C)nc1C 681599380 NFEARGUWRQHLFH-UHFFFAOYSA-N 371.868 4.041 0 40 FIAB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1 3072073 YYOUZZTXCFLIJL-ZSOIEALJSA-N 360.391 4.140 0 40 FIAB CCc1s/c(=N\C(=O)c2cccc(F)c2)n(C)c1-c1ccc(F)cc1 8080425 CNGSMUKMCVDLBZ-QOCHGBHMSA-N 358.413 4.335 0 40 FIAB Cc1cc(C(=O)NC[C@@H](C)n2nc(C)cc2C)c2cccc(Cl)c2n1 12198717 WHQFBEJICIHFLO-CQSZACIVSA-N 356.857 4.001 0 40 FIAB O=C(N1CCC(OCc2ccccc2)CC1)C1(c2ccccc2F)CC1 12206088 HCSLFMXMUUNBSC-UHFFFAOYSA-N 353.437 4.065 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(CN2CCCC2)cc1 15139947 IIKIXCOCLRQDDJ-FMIVXFBMSA-N 354.881 4.265 0 40 FIAB COc1ccccc1C[C@H](C)NC(=O)CC1CCN(C2CCCCC2)CC1 19748219 BQJLFZMDRHOTEX-SFHVURJKSA-N 372.553 4.177 0 40 FIAB CNC1CCC2(CC1)CN(Cc1ccccc1C)Cc1ccccc1O2 19237272 NCWPRTPLNUBCOE-UHFFFAOYSA-N 350.506 4.290 0 40 FIAB CSc1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10770528 YAOKSVRZEYZUAG-ZDUSSCGKSA-N 369.490 4.196 0 40 FIAB Cc1ccc(CNC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 30007373 PEINUYXAUBLADO-GOSISDBHSA-N 351.494 4.102 0 40 FIAB Cc1cccc(NC(=O)[C@@H](c2ccc(Cl)cc2Cl)N2CCC2=O)c1 1057413 MSNGCNJULSLVCM-QGZVFWFLSA-N 363.244 4.214 0 40 FIAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1ccccc1Cl 4315577 VSKNBKZMPMAUKZ-UHFFFAOYSA-N 357.866 4.252 0 40 FIAB O=C(Nc1ccccc1Cl)c1cccn(Cc2ccccc2Cl)c1=O 5269836 ZAQRGAIAURAXLX-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C)c3C)[nH]2)cc1 8770060 IKXPQLATGCZSDA-UHFFFAOYSA-N 367.474 4.433 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c(C)s1 40080931 YGDAGXTVCNONQD-KDOFPFPSSA-N 364.555 4.263 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc3[nH]c(C)cc3c2)c1 40087318 RDGVAGXJLKAKBP-UHFFFAOYSA-N 367.474 4.095 0 40 FIAB C/C(NCc1ccc(Cl)cc1)=C1\N=C(c2ccc(Cl)cc2)OC1=O 20032587 HEXRELYSWKTFEE-LFIBNONCSA-N 361.228 4.318 0 40 FIAB CC1(C)C[C@](CCN2CCOCC2)(c2cccc(C(F)(F)F)c2)CCO1 20573715 BTEVEUVEOXCPKB-LJQANCHMSA-N 371.443 4.255 0 40 FIAB CC(=O)c1cn(CC(=O)Nc2cccc(Br)c2)c2ccccc12 32070426 DHMPCMYMRWNSJV-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB Cc1cc(Br)c(S(=O)(=O)N(C)C2CCCCC2)cc1C 41095612 GEGGGTPBUNUMQD-UHFFFAOYSA-N 360.317 4.019 0 40 FIAB C[C@H](NC(=O)N[C@@H](C)c1ccccc1F)c1ccc(NC(=O)C2CC2)cc1 32794967 CRXBUWLQGNEBNA-KBPBESRZSA-N 369.440 4.296 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCC2)cc1 21555760 OZMKLVVEVVXLHS-UHFFFAOYSA-N 361.445 4.220 0 40 FIAB O=c1oc2ccccc2c(Oc2ccccc2)c1I 707746 CBRHBRGPGPQQCL-UHFFFAOYSA-N 364.138 4.190 0 40 FIAB COc1ccc2oc(=O)c(C(=O)Nc3ccccc3C(F)(F)F)cc2c1 807579 RPPYRNQEAQBVPM-UHFFFAOYSA-N 363.291 4.073 0 40 FIAB CCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(-c2cccnc2)n1 812436 NLIPQSHYDZVWBO-UHFFFAOYSA-N 374.400 4.268 0 40 FIAB CN1CCC(N(C)c2nc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 955722 HHUNEPAIWIENOY-UHFFFAOYSA-N 366.896 4.481 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COc1ccccc1Br 958629 OZMKNQPUDZFDTF-UHFFFAOYSA-N 370.630 4.129 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1cccc(Cl)c1 975480 LRWBFZDVJLAUIY-GOSISDBHSA-N 371.845 4.334 0 40 FIAB COc1ccc(CNCc2ccc(Br)cc2)c(OC)c1C 2760488 RJJYWFIMXCQQDR-UHFFFAOYSA-N 350.256 4.065 0 40 FIAB Fc1cccc(Cl)c1Cn1ccc(NC(=S)NC2CCCCC2)n1 2782292 JJBMODZMAMVXBN-UHFFFAOYSA-N 366.893 4.343 0 40 FIAB O=C(O)c1ccc([C@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120620 GWCOJZCMEYWBAX-YADHBBJMSA-N 374.392 4.287 0 40 FIAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1 3253207 ZNNXQESBQZRVND-UHFFFAOYSA-N 363.797 4.489 0 40 FIAB CC(C)Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc21 3498685 LUJPKRMBXGRJTG-UHFFFAOYSA-N 353.491 4.101 0 40 FIAB Clc1cccc(-n2ncc3c(SCc4ccccn4)ncnc32)c1 4271747 AQVPPQUBXSRAPO-UHFFFAOYSA-N 353.838 4.156 0 40 FIAB COc1ccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 4601030 NVXCAUCBFVRNDC-MHWRWJLKSA-N 374.849 4.455 0 40 FIAB O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(Cl)c(Cl)c1 4619640 DRLROLRASWGYCU-UHFFFAOYSA-N 366.229 4.413 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 4805235 KAZWZNZQVJELNM-UWVGGRQHSA-N 358.294 4.085 0 40 FIAB O=c1c(Cl)c(Nc2ccc(O)cc2)cnn1C12CC3CC(CC(C3)C1)C2 4909664 KUQTZSAVKGSCDK-UHFFFAOYSA-N 371.868 4.271 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1 4933144 QWKLYFTWGMAIEJ-UHFFFAOYSA-N 369.436 4.436 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(Br)o1)c1nc2ccccc2[nH]1 5020230 BBEUDRQLMDGDCF-AWEZNQCLSA-N 362.227 4.046 0 40 FIAB COc1cccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)c1OC 6249217 CIBBKEPTMHQXLW-NTEUORMPSA-N 366.461 4.346 0 40 FIAB COc1ccc(C)cc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 6619037 GMSGLYSZJFCWOQ-UHFFFAOYSA-N 361.854 4.264 0 40 FIAB CCSc1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)s1 6653141 UHXROBKSPAEYIU-UHFFFAOYSA-N 371.487 4.481 0 40 FIAB O=C(CCCc1nc2ccccc2s1)Nc1ccc2c(c1)OCCO2 7599078 OQUUBNJMJXPYPK-UHFFFAOYSA-N 354.431 4.029 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCc2sccc2[C@H]1c1cccs1 7947100 VQGQWWMTCGWSLY-SFHVURJKSA-N 369.467 4.326 0 40 FIAB CN(Cc1ccccc1Br)C(=O)c1cccc2cccnc12 7986845 CDLGIGHFVSVDSX-UHFFFAOYSA-N 355.235 4.270 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 8041600 BDCOZSULOFRSCD-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB COc1cc(OC)cc(C(=O)NCCSCc2cccc(Cl)c2)c1 8108159 IITFDMCZEKULEE-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(OC)cc2)cc1OC 8287103 IROBFTDZJYSWAM-BJMVGYQFSA-N 361.825 4.408 0 40 FIAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1N1CCCCC1 8606322 BGNNMNLIOAWAPQ-UHFFFAOYSA-N 374.487 4.226 0 40 FIAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1ccc(SC(F)F)cc1 8745265 TYSYLJWYIHPSKL-AWEZNQCLSA-N 351.374 4.198 0 40 FIAB COc1ccc(CCNC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1 9305370 ZAFQJERBKFQJRX-UHFFFAOYSA-N 372.424 4.476 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 9316246 VEAWOTPXFPCXSU-GFCCVEGCSA-N 358.492 4.067 0 40 FIAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1F 10119487 RUIORKWIRPPKSO-UHFFFAOYSA-N 352.203 4.384 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(F)cc(F)c3)o2)cc1 11453774 QRRJSWVLHYKQQS-UHFFFAOYSA-N 361.373 4.054 0 40 FIAB O=c1[nH]c(CSc2nc(-c3ccc(F)cc3)cs2)nc2ccccc12 12483491 QDBXLKKRPHKVLM-UHFFFAOYSA-N 369.446 4.478 0 40 FIAB CN(CC(=O)Nc1ccccc1Cl)Cc1ccccc1N1CCCCC1 12556192 AZRAAJKIOHROEA-UHFFFAOYSA-N 371.912 4.401 0 40 FIAB C[C@H](Sc1nc2ccsc2c(=O)n1C)C(=O)c1cccc(Cl)c1 12614741 CZGXRRHDDVGCOB-VIFPVBQESA-N 364.879 4.012 0 40 FIAB O=C(c1ccc(OC(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12627339 OXYHUNJDSANZMV-MRXNPFEDSA-N 357.360 4.142 0 40 FIAB CC(=O)Nc1ccc(CNC(=O)c2ccccc2Cc2ccccc2)cc1 12773395 KJYGHUDVHWFFQF-UHFFFAOYSA-N 358.441 4.166 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(C3CCCCC3)o2)cc1 12810577 ZDHXLGXUZMLLHK-LBPRGKRZSA-N 373.478 4.439 0 40 FIAB CCOc1c(Cl)cc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC 12914951 VTTMJFALMRFJFH-CMDGGOBGSA-N 371.864 4.345 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N3c4ccccc4C[C@@H]3C)c12 13008793 VLOZPUKIMLQJGE-ZDUSSCGKSA-N 372.428 4.128 0 40 FIAB Cc1cc(=O)oc2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc12 14115517 TXJHLCKEYLBEAI-UHFFFAOYSA-N 361.319 4.301 0 40 FIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(F)cc1Cl 14136964 BEPMHNAROAYKOD-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCOCC2)cc1 14413460 VWGWLXBEAGYLCJ-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB CCn1nnc(NCc2c(OCc3ccc(C)cc3)ccc3ccccc23)n1 15356938 KQELDVCGBUDTLD-UHFFFAOYSA-N 373.460 4.346 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C)cc2)o1 15881375 QWSVUFREUBGXQR-UHFFFAOYSA-N 360.417 4.201 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1 16399338 IRGPFYIXXUWNFK-UHFFFAOYSA-N 355.404 4.188 0 40 FIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCC)c1 16751122 JXOQLXFIICVNEL-IBGZPJMESA-N 363.413 4.147 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3c4c(nn3C)CCCC4)n2)ccc1F 19570877 XYORCGSDSUMZLO-UHFFFAOYSA-N 370.453 4.122 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 20047839 LXMJOIUDCFOYHY-KRWDZBQOSA-N 368.477 4.239 0 40 FIAB Cc1ccc(-c2n[nH]c(Nc3ccc(N4CCOCC4)cc3)n2)cc1Cl 20395431 KQRXWICSXUVKQQ-UHFFFAOYSA-N 369.856 4.014 0 40 FIAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(F)cc1F 26160096 DHCGTSAVQOKATA-SNVBAGLBSA-N 359.294 4.240 0 40 FIAB CC(C)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27741526 XKYMPOGQBYRWBQ-IBGZPJMESA-N 372.534 4.350 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1cccc(N2CCCC2=O)c1 28912145 CVDICBJJIUGPIA-MRXNPFEDSA-N 365.477 4.376 0 40 FIAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1 29396644 YYSPPQMISCAISX-JTQLQIEISA-N 353.875 4.169 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1OC 30869216 NLIKDLXZCPKLJN-GFCCVEGCSA-N 365.882 4.154 0 40 FIAB CC(C)CCNC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 31423679 QULPFYZZSQCJJU-UHFFFAOYSA-N 352.887 4.391 0 40 FIAB Cc1nn(C[C@H](C)C(=O)NCc2ccccc2C(F)(F)F)c(C)c1Cl 32611384 FFBNXLLCOACGLM-JTQLQIEISA-N 373.806 4.125 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 32755386 IBSDZZQOIDNBII-ZDUSSCGKSA-N 360.479 4.132 0 40 FIAB O=C(CSc1ccc(F)cc1)NCC1(N2CCCCC2)CCCCC1 33023414 JUFXBQUIPIIBEC-UHFFFAOYSA-N 364.530 4.223 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccccc2)c1[C@@H]1C(=O)Nc2ccc(C)cc21 36366220 FHQCXVCJHZZKLV-GOSISDBHSA-N 360.413 4.169 0 40 FIAB CCc1ccccc1NC(=O)COc1ncnc2sc3c(c12)CCCC3 39561733 XWLXFUHCTZZGIQ-UHFFFAOYSA-N 367.474 4.150 0 40 FIAB CC[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1OC(F)F 40090593 SVDRJSDVUJPXFQ-LBEMJPCMSA-N 365.420 4.251 0 40 FIAB O=C(Cn1ccc2c(Cl)cccc21)NCCc1c[nH]c2ccccc12 40309472 BTASRJYUTLAQJN-UHFFFAOYSA-N 351.837 4.135 0 40 FIAB biogenic O=C(C1CC1)N1CCC(NCc2ccc(-c3ccc(F)cc3)s2)CC1 42209317 BCILDPYOEMTTRK-UHFFFAOYSA-N 358.482 4.045 0 40 FIAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc(Cl)s1 49520847 KKXJNPKFKZYDGD-UHFFFAOYSA-N 353.846 4.019 0 40 FIAB O=C1CCCCN1Cc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 50474809 DDVVXGGFDXAZOU-UHFFFAOYSA-N 366.505 4.354 0 40 FIAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1F 57364136 ANXGNWXLYMNONV-UHFFFAOYSA-N 352.384 4.283 0 40 FIAB C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1cccc(Cl)c1 58057368 JGGMIOXCTCHLOX-CQSZACIVSA-N 371.868 4.345 0 40 FIAB O=C(NO[C@@H]1CCCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12 58418790 VEKAPDDVFGUEKN-HXUWFJFHSA-N 366.392 4.229 0 40 FIAB CC(C)(C)CC(C)(C)NC(=O)c1cccc(I)c1 59240171 NDLBZPGOAQJEDC-UHFFFAOYSA-N 359.251 4.236 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1F)N1CCCC1 67288236 JQNSBYZGYUAGJD-UHFFFAOYSA-N 367.399 4.361 0 40 FIAB Clc1ccc(C2(c3nc(Cc4ccccc4)no3)CCOCC2)cc1 71890021 IQKGIGTYPMALLU-UHFFFAOYSA-N 354.837 4.410 0 40 FIAB Fc1ccc(CN2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 72375919 IKOSIOOAZLPIIL-QGZVFWFLSA-N 363.440 4.134 0 40 FIAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)C2CCCCC2)c1 72380270 XEPUPPXWIHSADY-LJQANCHMSA-N 353.466 4.329 0 40 FIAB COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cnc(C)s2)cc1OC 84290576 FVSRWHLNKFVVCF-INIZCTEOSA-N 374.506 4.096 0 40 FIAB CCc1cccc(C)c1NCc1noc([C@H]2COc3ccccc3O2)n1 86199210 VRMQBQUKMXKQIF-QGZVFWFLSA-N 351.406 4.065 0 40 FIAB Cn1cc(-c2ccnc(/C=C/c3csc(-c4ccsc4)n3)n2)cn1 93902747 USZYGRKHYFGCBH-NSCUHMNNSA-N 351.460 4.233 0 40 FIAB CC(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl 95350876 FJWLLSFLWHCWDX-UHFFFAOYSA-N 374.912 4.273 0 40 FIAB Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96116753 AUHTWSGFEQKHCO-KRWDZBQOSA-N 370.884 4.288 0 40 FIAB CCCN1[C@H]2CCC[C@H]1CC(NC(=S)Nc1ccc(OCC)cc1)C2 100424165 ASKZNOIPHOZQED-ROUUACIJSA-N 361.555 4.167 0 40 FIAB CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1cccs1 103591738 NSOOBZMRKCKZTN-MRXNPFEDSA-N 351.427 4.454 0 40 FIAB COc1ccccc1C[C@H]1CCCN1C(=O)c1csc(-c2ccoc2)n1 108263305 WEBKYGBITPZWKH-MRXNPFEDSA-N 368.458 4.259 0 40 FIAB Cc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1Cl 110795877 OFYHRXHLNIRIER-UHFFFAOYSA-N 357.866 4.139 0 40 FIAB CO[C@@H](CNC(=O)c1cc(Br)cs1)c1ccccc1Cl 206851843 FXIIMXYRIBLYLN-LBPRGKRZSA-N 374.687 4.282 0 40 FIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)c1ccccc1 219384216 GKSRDWLLDWAIEW-SFHVURJKSA-N 362.926 4.463 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1 222894066 BOEKPHDVPJRCJQ-LJQANCHMSA-N 355.434 4.222 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1Cl 223783363 XAFZMOYZPPROFN-HNNXBMFYSA-N 361.869 4.426 0 40 FIAB Cc1cnc(NC(=S)NCc2ccccc2Cl)c(Br)c1 223933011 BLNKEIHCTKLOKP-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 224340692 BBIWZSIACJTLIS-INIZCTEOSA-N 373.518 4.324 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1C 224427483 SXFNWZFHRNWXBC-RTBURBONSA-N 366.465 4.045 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)cc1 224691449 UPCRQXLDPVFXFU-UHFFFAOYSA-N 363.788 4.492 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(N2CCCCC2)cc1 224967027 SABCJRSNEVZGJM-OAQYLSRUSA-N 368.477 4.482 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)Nc1nnc(SCC(C)C)s1 225009554 DNKWSRPRMXNINN-GFCCVEGCSA-N 351.497 4.001 0 40 FIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(F)cc1 225325724 JLLVYJZCOWXGBY-UHFFFAOYSA-N 373.815 4.120 0 40 FIAB CN1CCC(Oc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)CC1 225460456 BFOZOYJVYOJIJU-UHFFFAOYSA-N 359.470 4.108 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc3c(c2)CCCC3)c1 225500868 HVBPKTYJFHLUAY-UHFFFAOYSA-N 373.836 4.023 0 40 FIAB C[C@@H](O)c1ccc(CCNC(=O)C(c2ccccc2)c2ccccc2)s1 225687665 WAYOOYJUUCUVHI-MRXNPFEDSA-N 365.498 4.292 0 40 FIAB Cc1ccccc1-c1noc(CNC(=S)Nc2cccc(Cl)c2)n1 225828236 GSUYDOAHVRGKOE-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225850132 UPPVCHIKFPQFBK-DNVCBOLYSA-N 357.450 4.047 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cn1 225862718 YKOYKWQWEADQCR-UHFFFAOYSA-N 374.868 4.211 0 40 FIAB CC[C@H](c1ccccc1)c1nn2c(-c3c(C)nc4ccccn34)nnc2s1 227143324 GWJWXNAEDYGNNO-OAHLLOKOSA-N 374.473 4.351 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccn[nH]3)CC2)cc1 257336820 YQEDCBVZPHQGNN-UHFFFAOYSA-N 361.445 4.155 0 40 FIAB CC(C)c1ccoc1C(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 331771187 FOLXDUDWEXNGMB-AWEZNQCLSA-N 362.495 4.371 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Oc3ccccc3Cl)CC2=O)cc1Cl 408669831 SDGCDTOOVAMWPR-GFCCVEGCSA-N 364.228 4.260 0 40 FIAB COc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1Cl 409086344 DLQBQGRDRARTKY-PTNGSMBKSA-N 364.898 4.081 0 40 FIAB COc1ccccc1[C@H](NC(=O)c1nc(C(C)C)oc1C)c1ccco1 501642565 SCOZRUORAHAZSF-SFHVURJKSA-N 354.406 4.227 0 40 FIAB Oc1nnc(SCCCc2cccc3ccccc23)n1C[C@H]1CCCO1 524033063 AWLJDSFEOABWFG-QGZVFWFLSA-N 369.490 4.041 0 40 FIAB CC(C)c1ccc(O[C@@H](C)CNC2CCN(Cc3ccccn3)CC2)cc1 585082879 FXAWLRUMBCPNGP-IBGZPJMESA-N 367.537 4.227 0 40 FIAB Cc1nc([C@@]2(C)CCCN(C(=O)c3ccccc3F)C2)c2sccn12 585182471 GHKJLWDAQSQZQO-IBGZPJMESA-N 357.454 4.037 0 40 FIAB CC(C)(C)c1ccc(Cl)cc1NC(=O)c1ccn(C2CCOCC2)n1 637236338 ZHLGLFRMXKKERX-UHFFFAOYSA-N 361.873 4.438 0 40 FIAB COc1ccc2c(c1)[C@H](C(=O)NC1(c3nc(C)cs3)CCCC1)CCC2 653637441 IZKWSEZUNHCEHR-QGZVFWFLSA-N 370.518 4.466 0 40 FIAB Cc1nccc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@H]2c2ccccc2)n1 1152810543 CAIWYBVTRSAANZ-VQTJNVASSA-N 351.494 4.196 0 40 FIAB Brc1cnn(C2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 1888860141 JQGSIPBXBJKPMA-JWTNVVGKSA-N 360.299 4.056 0 40 FIAB COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCC2 673162 PFHDFYNSLWECPQ-UHFFFAOYSA-N 369.364 4.295 0 40 FIAB Cc1c(NC(=O)c2cccnc2Cl)cccc1-c1nc2ncccc2o1 803431 NIBSOFHHCQNDDV-UHFFFAOYSA-N 364.792 4.499 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1509230 IKOCVYWQQREWMR-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccccc1C)CC(=O)N2 1509698 KFSBGLHOYZSYCD-QHCPKHFHSA-N 370.452 4.487 0 40 FIAB CCOCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 2373193 FERMBMOUVHKCBJ-UHFFFAOYSA-N 372.515 4.065 0 40 FIAB COc1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)c(OC)c1 2549284 ZIJOKURPUNMDQF-BJMVGYQFSA-N 367.323 4.254 0 40 FIAB CC(C)(CSc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1 3227102 AWWAEYULXMAYIN-UHFFFAOYSA-N 373.902 4.328 0 40 FIAB CCc1ccc2c(CSc3nnc(-c4ccco4)o3)cc(=O)oc2c1 3289028 WXZCKPSXVVXEKR-UHFFFAOYSA-N 354.387 4.291 0 40 FIAB CCCCOC(=O)c1ccc(NCc2nnc(-c3ccccc3)o2)cc1 4513663 GFCHMYUISJNNJP-UHFFFAOYSA-N 351.406 4.306 0 40 FIAB CCCCc1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 4785860 NSEGXRTYSRWJQR-UHFFFAOYSA-N 370.522 4.255 0 40 FIAB O=C(Nc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 4854406 XIUFBNCKTKHAFN-LJQANCHMSA-N 353.372 4.403 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2CC)cc1Cl 5235123 CFIMLJSQVKPZLH-NSHDSACASA-N 366.310 4.345 0 40 FIAB O=C(c1ccccc1)c1c(O)cc(=O)n(-c2ccccc2)c1-c1ccccc1 5450647 OEHURZQVPFTUGB-UHFFFAOYSA-N 367.404 4.441 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1 5511779 CTBLIYDWYFKCJO-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB Cc1ccc(-n2cnnc2S[C@H](C)C(=O)N(C)c2ccccc2)c(C)c1 6105723 ZCGCBQDMWOKIMX-MRXNPFEDSA-N 366.490 4.028 0 40 FIAB COC[C@H](C)n1c(SC/C=C/c2ccccc2)nc2ccccc2c1=O 6559326 DRONAGJOTCOKIB-KXKDPZRNSA-N 366.486 4.409 0 40 FIAB CCN1C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)c2ccccc21 6630235 VCLVGIFPROYDNX-RVDMUPIBSA-N 371.278 4.422 0 40 FIAB O=C(Nc1ccccc1OC(F)F)c1cc(Cl)c2c(c1)OCCCO2 7786424 CDJFBPTZYVPCEB-UHFFFAOYSA-N 369.751 4.355 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 7928221 FPQIMZOIVFKZSJ-LJQANCHMSA-N 364.489 4.365 0 40 FIAB COc1ccccc1C[C@H]1SC(=O)N(Cc2ccccc2Cl)C1=O 8169202 ICUDJMGDLFJVOE-MRXNPFEDSA-N 361.850 4.155 0 40 FIAB COc1ccc([C@@H](CC(=O)Nc2c(C)cc(C)cc2Cl)NC(C)=O)cc1 8704131 UUJGLEDCHUOIQH-GOSISDBHSA-N 374.868 4.171 0 40 FIAB CC(C)[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)Nc1ccccc1 8761980 MAHUORLCZKGDFS-HNNXBMFYSA-N 372.519 4.299 0 40 FIAB CC(C)COc1ccc(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 10643993 QPMYJAKCDVTWHT-HXUWFJFHSA-N 363.461 4.158 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1 11618919 GJCKEPUPMUBKCU-UHFFFAOYSA-N 373.456 4.106 0 40 FIAB CCOc1cc2c(cc1CNC1(c3ccc(OC)cc3)CCCC1)OCO2 12328348 NIZQLDOZYVJCFU-UHFFFAOYSA-N 369.461 4.382 0 40 FIAB CCCc1nc2ccccc2n1C[C@H](O)c1cccc(Br)c1 12525342 WTCFZLYIRPNLNF-KRWDZBQOSA-N 359.267 4.485 0 40 FIAB O=C(c1cc(Cl)ccc1F)N1CCN(c2ccccc2Cl)CC1 12558426 QPQFXEFQYFZTCW-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccccc2Cl)c1 13596209 FVRJBAXKJQZNBQ-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB O=C(CSCc1ccccc1Br)N1CCc2ccccc21 13632750 UBWPNCIIXBQGFS-UHFFFAOYSA-N 362.292 4.272 0 40 FIAB CC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 14188457 VEFRGSABOCJJQW-UHFFFAOYSA-N 369.808 4.164 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C(C)(C)C 16780059 NVACPGFCVKSQBL-RHSMWYFYSA-N 353.528 4.240 0 40 FIAB Fc1ccc(NC(=S)NCCSCc2ccccc2F)c(F)c1 18146447 HFSNRDLKIGXDID-UHFFFAOYSA-N 356.438 4.324 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(C)c1 20451273 NOIJRPLNBLKOOC-LJQANCHMSA-N 361.482 4.341 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2c(F)cccc2F)cc1OC 20452747 HAVGOSBEQZHNCL-JTQLQIEISA-N 353.390 4.101 0 40 FIAB CCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2cc(OC)ccc21 22235744 RUHJCIJPXQUPDW-UHFFFAOYSA-N 372.424 4.436 0 40 FIAB COc1cc(OC)c(OC)cc1CNCc1ccc(Cl)c(Cl)c1 22793090 FVLBSWXVXXXHOX-UHFFFAOYSA-N 356.249 4.309 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 24705310 CEKQDNWVMXLGDG-AWEZNQCLSA-N 358.869 4.440 0 40 FIAB COc1ccc(CN(C(=O)COc2ccccc2C)c2ccccn2)cc1 27744989 SXGWGXIXUSVINJ-UHFFFAOYSA-N 362.429 4.011 0 40 FIAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cc2c(F)cccc2s1 29230342 XRXSQTVEPHJDIT-UHFFFAOYSA-N 365.433 4.215 0 40 FIAB Cc1ccc(C(=O)N[C@@H](C(=O)N[C@@H](C)c2cc(C)sc2C)C(C)C)cc1 31951649 MVNQMZBXOZGSDG-HNAYVOBHSA-N 372.534 4.305 0 40 FIAB CC[C@H](CNC(=O)c1c(F)cccc1Cl)N1CCc2ccccc2C1 32447556 KQFPXAKEDNFCTR-MRXNPFEDSA-N 360.860 4.046 0 40 FIAB CCCn1nnc(NCc2ccc(-c3ccc(Cl)cc3Cl)o2)n1 32617047 WHMNFXRGOLRGRZ-UHFFFAOYSA-N 352.225 4.262 0 40 FIAB c1ccc(Cn2nnnc2SCc2csc(-c3ccccc3)n2)cc1 32828983 IXMUXJGBBSUVRM-UHFFFAOYSA-N 365.487 4.137 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1ccccc1N1CCCCCC1 32908517 ZTZNSQJSCAICMM-UHFFFAOYSA-N 368.477 4.483 0 40 FIAB CO[C@H](CNc1nc(-c2ccncc2)nc2ccccc12)c1ccccc1 36394392 FUJGOQJOPWZFEU-HXUWFJFHSA-N 356.429 4.491 0 40 FIAB COc1ccc(/C=C\c2nn3c(-c4cccs4)nnc3s2)cc1OC 36613449 OJGJSZNEXFMYGV-VURMDHGXSA-N 370.459 4.102 0 40 FIAB O[C@@H](CNc1nn2cc(-c3ccccc3)nc2s1)c1ccc(Cl)cc1 40059632 YPJGAYOMSFPVRT-INIZCTEOSA-N 370.865 4.257 0 40 FIAB O=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(CC(F)(F)F)CC1 48250520 METSYCOXRONICE-INIZCTEOSA-N 374.472 4.370 0 40 FIAB CCOc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364461 TZWNUMSFCFRMCT-LJQANCHMSA-N 374.440 4.244 0 40 FIAB CCOc1cc(CNC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1OC 57416228 JOIAJBUWOWJUHP-UHFFFAOYSA-N 358.825 4.159 0 40 FIAB COc1cccc([C@@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)c1 57483954 CCBYEICBVGUXHQ-IBGZPJMESA-N 365.429 4.153 0 40 FIAB C[C@H](CNc1nc(-c2ccncc2)nc2ccccc12)CN1CCCCC1 59402380 JAFWBTIJZLMETI-QGZVFWFLSA-N 361.493 4.226 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1cccnc1Cl 65776844 KOTPPQNVJUDPRF-UHFFFAOYSA-N 373.762 4.136 0 40 FIAB CC(C)[C@H](SCc1ccccc1)C(=O)NCCSC(F)(F)F 69949098 HIWXLQUUHOKIHU-ZDUSSCGKSA-N 351.459 4.314 0 40 FIAB CC[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 71195084 WWXCVFGIKLPGES-OAHLLOKOSA-N 350.418 4.274 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(Cc3ccnn3C)C2)n1 72354102 ZSMJKHDLBGVVAY-OAQYLSRUSA-N 360.505 4.094 0 40 FIAB COc1cccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 72390082 ODVDVFNUBJSFBH-OAHLLOKOSA-N 355.463 4.186 0 40 FIAB Cc1cccc(C)c1N1Cc2cc(Br)ccc2O[C@H](C)C1=O 75165512 GMZKRQKFYCRYCR-CYBMUJFWSA-N 360.251 4.380 0 40 FIAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC(OCCc2ccccc2)CC1 84529119 NLZICLZLDUDIPP-UHFFFAOYSA-N 366.436 4.171 0 40 FIAB CCO[C@H]1C[C@H](O)C12CCN(Cc1cc(-c3ccccc3)cs1)CC2 93614238 MLKOXRCJAFZQFT-PMACEKPBSA-N 357.519 4.167 0 40 FIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100725068 JHMZBEBSHAZNNI-ATUYINLCSA-N 371.436 4.345 0 40 FIAB Cc1cccn2c(=O)cc(CN3CCCC[C@@H]3c3cc4ccccc4[nH]3)nc12 108385826 BXDFOASUDCRVOO-OAQYLSRUSA-N 372.472 4.211 0 40 FIAB CCCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 218981020 KYGKMGXMAFTSLQ-UHFFFAOYSA-N 372.896 4.400 0 40 FIAB O=C(NCc1cccs1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219338587 IVOFDXABKZXPBV-MRXNPFEDSA-N 368.474 4.416 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 223724248 ZUHNQJHYWZZTFV-UHFFFAOYSA-N 351.899 4.458 0 40 FIAB Fc1ccc(CCCNC(=S)Nc2ccc(N3CCCCC3)nc2)cc1 223968492 WBJBXNFMTAHXQN-UHFFFAOYSA-N 372.513 4.130 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)COc2ccccc2C(C)(C)C)c1 224042395 KLMWJYSXQJTCIH-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB COc1ccc(C(=O)N2CCCC2)cc1COc1cc(C)cc(C)c1C 224280647 OEIKMUQMTXTQEG-UHFFFAOYSA-N 353.462 4.435 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCSCc2ccccc2C)c1 225361923 YYAFIXLCHZXQPI-UHFFFAOYSA-N 374.531 4.001 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OC(C)C)cc2)c1 225447144 XBNITLXCRJFKLE-UHFFFAOYSA-N 372.490 4.137 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Nc1ccccc1OC 225769648 KEHQQIQTUPVDFZ-MRXNPFEDSA-N 356.422 4.128 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(CC)cc2)cc1OCC 225772186 FWLNDGLQHUDVRS-INIZCTEOSA-N 355.478 4.466 0 40 FIAB COc1c(Cl)cc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Cl 226286023 RQIYGLVHQNGNCL-UHFFFAOYSA-N 369.155 4.187 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)c(C)c1 226312035 LTDHCNVVISMDDP-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB CC(C)n1ccc2c1CN(C1CCC1)Cc1cn(Cc3ccccn3)nc1-2 306129099 HUNJUDCDBLASAO-UHFFFAOYSA-N 361.493 4.244 0 40 FIAB COc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1cccc(C)c1 408614895 JIRBSZBMYYUGKI-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 408627635 MVNMQAANQHSXBC-GQCTYLIASA-N 374.771 4.478 0 40 FIAB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)O)c(Cl)c2)c2ccccc21 409118871 RGLGNFIGZYUOGE-GDNBJRDFSA-N 371.820 4.101 0 40 FIAB O=C1C[C@@H](c2ccco2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524730309 FAMVYBPVUUZDHE-ZDUSSCGKSA-N 374.348 4.200 0 40 FIAB biogenic O=C(CCSc1ccccc1)NC[C@H](O)c1csc2ccccc12 585371779 DDMVKXNYGPGNOZ-KRWDZBQOSA-N 357.500 4.233 0 40 FIAB CSc1cc(NCCNc2nc3ccccc3s2)nc(SC)n1 1639253004 CPIFRSHBRAIXKJ-UHFFFAOYSA-N 363.537 4.054 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc2ncccc2c1)c1nc(-c2ccccc2)no1 1775976743 PGDRMRYACBERFW-IBGZPJMESA-N 372.428 4.412 0 40 FIAB O=C(NCc1ccco1)c1ccc(Oc2cccc(Br)c2)nc1 32925978 GATKHAXLRFNJAL-UHFFFAOYSA-N 373.206 4.159 0 40 FIAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1sc2ccccc2c1Cl 32966944 LXIKTAMMNGQVAB-LBPRGKRZSA-N 373.861 4.467 0 40 FIAB COc1ccccc1[C@H]1CCCN1C(=O)Nc1cnc(C(C)(C)C)nc1 69658942 WSGOQSUBDZCKGQ-MRXNPFEDSA-N 354.454 4.152 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CCCC(=O)c2ccccc2)c1 41335810 JBJFENAFVSBQAF-UHFFFAOYSA-N 359.809 4.118 0 40 FIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(F)cc3)nc1-2 3651727 JCYFFPCOHOFGJT-UHFFFAOYSA-N 354.406 4.309 0 40 FIAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccnc1 6827807 CFMIYIFONJZJFJ-UHFFFAOYSA-N 360.442 4.005 0 40 FIAB COC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2C)c1 7995966 QULCNEOCMXBMNZ-UHFFFAOYSA-N 352.415 4.157 0 40 FIAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4F)cc3n2)cc1C 885951 KJCBLOYNBGJEMD-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)o1 8188479 TUBCVJQZRQYDJE-UHFFFAOYSA-N 350.983 4.307 0 40 FIAB C[C@]12C[C@@H](NC(=O)N1c1ccc(F)c(F)c1)c1cc(Cl)ccc1O2 101084895 CIIOONITOBHYGF-PBHICJAKSA-N 350.752 4.388 0 40 FIAB O=C(COc1ccc2ccccc2c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 24833610 QILQJTNYXORXDX-HOTGVXAUSA-N 351.368 4.456 0 40 FIAB Cn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc21 12548993 JZEUVCXKZUBCOP-UHFFFAOYSA-N 367.261 4.006 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 108597937 RQWFHPVZCCIYEQ-GOSISDBHSA-N 372.468 4.270 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Sc2nncs2)ccc1Oc1cccnc1 57310583 ITNXXWFUGNIYOU-GFCCVEGCSA-N 372.475 4.153 0 40 FIAB Clc1cccc(N2CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 12592995 JGOWAXRNPHQUGW-UHFFFAOYSA-N 353.853 4.317 0 40 FIAB COC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 29299455 NBBJOKIBTKWEGC-XBXARRHUSA-N 350.773 4.253 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)c1 20051031 NQKGQHQKSCVDDW-QGZVFWFLSA-N 368.477 4.156 0 40 FIAB CC(C)CCc1noc(CSc2nnc3sc4ccccc4n23)n1 58366116 SJNNLHBXFYLQHA-UHFFFAOYSA-N 359.480 4.208 0 40 FIAB CCN(CC)Cc1c(C(C)=O)c2cc(O)ccc2n1-c1ccc(OC)cc1 45028192 SYEXQSFLMKLIJL-UHFFFAOYSA-N 366.461 4.389 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1ccn(-c2ccccc2)n1 58441858 IUKMBHUVRDXGTL-UHFFFAOYSA-N 359.385 4.193 0 40 FIAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(F)cc2)n1C 107949313 FESHVFPWRDGVPF-UHFFFAOYSA-N 357.454 4.442 0 40 FIAB COc1ccccc1CNc1ncnc2c1cnn2-c1ccc(C)cc1C 2374755 TVTLSSJOVIZTRM-UHFFFAOYSA-N 359.433 4.053 0 40 FIAB COc1ccc(CN(C(=O)c2ccccc2F)c2ccccn2)cc1OC 27662686 WUJWSBFSTCLTDO-UHFFFAOYSA-N 366.392 4.085 0 40 FIAB Cc1cc(C)c2nc(Nc3ncc4c(n3)CC(C)(C)CC4=O)nc(C)c2c1 2431464 CHYOYVRKCHRMQM-UHFFFAOYSA-N 361.449 4.244 0 40 FIAB O=S(=O)(c1cccc(Cl)c1Cl)N(Cc1ccccc1F)C1CC1 12793255 IYPGGMBVHIWKKE-UHFFFAOYSA-N 374.264 4.486 0 40 FIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1 11750355 OFBBTKWTPVWMGY-UHFFFAOYSA-N 366.461 4.495 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1C 12881369 YQLWDJGWZQKGHW-MRXNPFEDSA-N 367.923 4.472 0 40 FIAB O=C(NC1CCCCCCC1)C1CCN(c2nc3ccccc3o2)CC1 3587701 SHTYTKCOCMRFDR-UHFFFAOYSA-N 355.482 4.273 0 40 FIAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C 8855118 AETXHFAHKNQZKZ-UHFFFAOYSA-N 364.445 4.034 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)c3cn(C)c4ccccc34)c2cc1C 5261563 BRMSEIZLHOWOBO-UHFFFAOYSA-N 361.397 4.259 0 40 FIAB CC[C@@H]1CCc2nc(NC(=O)/C=C/c3c(C)nn(C)c3Cl)sc2C1 95369209 QYYOYUJBKFMWKZ-LXSSAFMLSA-N 364.902 4.005 0 40 FIAB CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nc2ccccc21 4484455 QZALFRJDWDBQAX-UHFFFAOYSA-N 371.506 4.096 0 40 FIAB C[C@@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 14021845 ORTBSVIBWQWRPR-ZDUSSCGKSA-N 365.458 4.438 0 40 FIAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)cc(OC)c1OC 14139965 IYLCIRLZNWTDRJ-DXRVJIQQSA-N 367.445 4.089 0 40 FIAB Cn1c([C@@H]2CCCCN2C(=O)CCNc2ccccc2)nc2ccccc21 95361100 UQWRRYTXWHOYTC-FQEVSTJZSA-N 362.477 4.129 0 40 FIAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)nc(C)c1C 14108940 TWVMQQASDDWOIK-GFCCVEGCSA-N 367.421 4.123 0 40 FIAB O=C(Nc1ccc(Nc2ccccc2)nc1)c1c(Cl)nc2ccccn12 65623539 XNARWYKAISYRAS-UHFFFAOYSA-N 363.808 4.379 0 40 FIAB CCc1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1 14255121 KKJGTHWMMUVDEC-UHFFFAOYSA-N 364.239 4.281 0 40 FIAB O=C(CCN1CCSC1=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 8923202 GVCLYRUXBUKUJK-GOSISDBHSA-N 374.893 4.105 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)n1 6790413 IEGIQYAAKLDWTP-UHFFFAOYSA-N 366.421 4.490 0 40 FIAB Cc1cc(O)nc(SCC(=O)c2ccc([C@H]3CC3(Cl)Cl)cc2)n1 9143575 OGXDNWOUJPSLIV-GFCCVEGCSA-N 369.273 4.127 0 40 FIAB CC(C)C1CCC(C(=O)N[C@@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)CC1 9195361 HQZOXHDKVHUKNP-AXIYNFMDSA-N 372.553 4.467 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCOc2ccccc21 7268897 BBUQVUANSMDEDV-NHYWBVRUSA-N 366.244 4.401 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(Cl)cc1F 7941462 RMNPBJYABBKDDR-UHFFFAOYSA-N 360.860 4.395 0 40 FIAB CCCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 8014230 QVSNTHFVSSXPQX-AWEZNQCLSA-N 368.433 4.227 0 40 FIAB C[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 8128518 ILZQFIRBSPZDLY-LBPRGKRZSA-N 358.290 4.118 0 40 FIAB Cc1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1Cl 9315638 DJGRKMUSSTZADU-UHFFFAOYSA-N 355.825 4.192 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1 27378861 PYXBAQMQYCTTPB-HNNXBMFYSA-N 356.491 4.192 0 40 FIAB CN1CCCC12CCN(c1nc(-c3cccs3)nc3ccccc13)CC2 95460530 IJTPUTZTDMELMT-UHFFFAOYSA-N 364.518 4.423 0 40 FIAB Cc1ccc(C)c2c1CCC[C@H]2OC(=O)c1ccc(CS(C)(=O)=O)cc1 97032716 GYIVMBFVVZSPKN-LJQANCHMSA-N 372.486 4.082 0 40 FIAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1ccccn1 28221586 VLCIWOCGNQRDFC-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 28240598 VKBFPZNRLWZKMC-KRWDZBQOSA-N 363.461 4.208 0 40 FIAB CSc1ncc(Br)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 27742921 UWPUKSZPTARXNV-UHFFFAOYSA-N 372.675 4.175 0 40 FIAB Cc1nc(-c2cccc(-c3noc([C@H]4C[C@@]45CCc4ccccc45)n3)c2)n[nH]1 546465390 FGADILSTPYGGRL-XMSQKQJNSA-N 369.428 4.202 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1OC 36354182 FORICWQEFYAXOT-ZDUSSCGKSA-N 367.380 4.152 0 40 FIAB COc1ccc(Nc2ncnc3c2ncn3Cc2ccccc2Cl)cc1 36355072 GDRWMCQIVVRXPP-UHFFFAOYSA-N 365.824 4.280 0 40 FIAB COc1ccccc1OC(=O)N[C@@H]1c2ccccc2O[C@H]2CCCC[C@H]21 32109794 UXLAGYWHKLXIQR-OXFYSEKESA-N 353.418 4.476 0 40 FIAB C[C@@H](NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 72344536 SRIZHVZQARZTTN-CQSZACIVSA-N 368.443 4.222 0 40 FIAB Cc1ccccc1CC(=O)NCc1cccnc1Oc1cccc(F)c1 32924760 YXHAXUKJIFDPDR-UHFFFAOYSA-N 350.393 4.180 0 40 FIAB COc1cc2c(cc1OC)[C@H]([C@@]13C[C@@H]4C[C@@H](C[C@@](Cl)(C4)C1)C3)NCC2 217361759 HSDXWRHEZLIHTH-QBMNRHOTSA-N 361.913 4.468 0 40 FIAB Cc1ccc(C)c(NC(=S)NCCCN2CCc3ccccc3C2)c1 46103171 HUATZHDEXRQUOC-UHFFFAOYSA-N 353.535 4.038 0 40 FIAB O=C(NCCN1CCC(c2cccs2)CC1)C12CC3CC(CC(C3)C1)C2 77103998 CRRZYTXGZROYEH-UHFFFAOYSA-N 372.578 4.260 0 40 FIAB Cc1cc(O[C@@H](Cc2cccc(Br)c2)C(=O)O)ccc1Cl 225063430 WGPQYEBDIDPJDP-HNNXBMFYSA-N 369.642 4.486 0 40 FIAB COc1ccc(CC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)cc1 47476658 ZUTUEVNZYMAHFD-UHFFFAOYSA-N 372.877 4.331 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 44883822 BDIKQEJGSNRCLP-NRFANRHFSA-N 351.471 4.371 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)c1ccccc1CN1CCSCC1 85651682 PUXMRNVKDUSHHA-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1 223757724 SMDCVCPWJLESQY-FQEVSTJZSA-N 355.459 4.278 0 40 FIAB Cc1c(Cl)cccc1S(=O)(=O)N(CCc1cccs1)C1CC1 75154819 MSLHSMXHHBFGPO-UHFFFAOYSA-N 355.912 4.106 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(Cl)c1 225785386 OSOSIWCNUDGJKE-LBPRGKRZSA-N 350.871 4.103 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 44949950 IKDPKVPHEXLRRM-HNNXBMFYSA-N 367.804 4.292 0 40 FIAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 43981784 MDJRZSNPHZEMJH-HOPUEYGRSA-N 374.521 4.059 0 40 FIAB O=C([C@@H]1CCCC12CC2)N1CCC(c2nc(C(F)(F)F)cs2)CC1 529444295 GKAXJERFVSNCQP-LBPRGKRZSA-N 358.429 4.448 0 40 FIAB C[C@H](Sc1nncn1[C@@H](C)c1ccccc1)C(=O)Nc1cccc(F)c1 48355502 CWSAALPZSFTAHD-KBPBESRZSA-N 370.453 4.146 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(C)c(Cl)c1 224163620 MHPXYHKDQPWDNG-OAHLLOKOSA-N 361.869 4.173 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=O)COc1cccc(Cl)c1)CC(C)(C)O2 222770819 GLTHKSZZXAPXMF-QGZVFWFLSA-N 359.853 4.446 0 40 FIAB CCc1noc(C)c1NC(=O)[C@@H]1C[C@]12CCOc1ccc(C(C)C)cc12 583619941 FZSYBURYHHYUPT-KKSFZXQISA-N 354.450 4.348 0 40 FIAB O=C(c1ccccn1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257317521 VKCBIOFJMJJTFA-GOSISDBHSA-N 367.836 4.291 0 40 FIAB CCOc1ccc(NC(=O)Nc2ccc(N3CCC(OC)CC3)cc2)cc1 96104519 LWAPZOPHTSBOTM-UHFFFAOYSA-N 369.465 4.345 0 40 FIAB CC(C)CN(C(=O)/C=C/c1ccccc1)c1nnc(-c2cccnc2)s1 1356892 NMHBTSGJYBNELS-ZHACJKMWSA-N 364.474 4.303 0 40 FIAB CCSc1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 5443213 GAGLDUDHDGSVSG-UHFFFAOYSA-N 351.497 4.099 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 5597032 CZOKFMKTUPKMFK-HNNXBMFYSA-N 371.433 4.058 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 5614033 OTJQLAKXWGTYQM-UHFFFAOYSA-N 372.635 4.371 0 40 FIAB CC(C)(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134071 CTMQOEAISYCLQC-UHFFFAOYSA-N 352.478 4.003 0 40 FIAB Cc1nn([C@H](C)CC(=O)N[C@@H](c2ccccc2)c2cccnc2)c(C)c1C 12148244 CLTZLUQOHRSHHK-QRQCRPRQSA-N 362.477 4.060 0 40 FIAB COc1ccc2[nH]c(C)c(CN3CCC(O)(c4ccccc4F)CC3)c2c1 12363509 HKDAWDHHWZDFOL-UHFFFAOYSA-N 368.452 4.108 0 40 FIAB CCOc1ccccc1CCCNS(=O)(=O)c1ccc2ccccc2c1 13675729 KDJPNETUQLAUEE-UHFFFAOYSA-N 369.486 4.150 0 40 FIAB Cc1ccc([C@@H](NC(=O)Cc2ccc3c(c2)C[C@H](C)O3)c2ccncc2)cc1 19136793 MZCKMSJZYIEJRQ-BXKMTCNYSA-N 372.468 4.162 0 40 FIAB CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCc2ccccc2C1 19499739 XCDFDLDBOIGWIS-SFHVURJKSA-N 367.522 4.027 0 40 FIAB COc1c(C)cc(C(=O)N2CCC[C@H](c3cc4cnccc4[nH]3)C2)cc1C 19570063 XGBYSLMQDZPVHI-INIZCTEOSA-N 363.461 4.208 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(C)c(C)n2C[C@H]2CCCO2)c(C)c1 24513266 WKPZCXKZONTALG-QGZVFWFLSA-N 373.522 4.027 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)Oc1ccccc1 4162635 PYAYTILDEABNRJ-ZDUSSCGKSA-N 353.374 4.016 0 40 FIAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2)cc1 4854471 XPZSLVXZSNMWCK-OAQYLSRUSA-N 361.445 4.442 0 40 FIAB CCOc1ccc(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 7614631 YVGTXIHKNIISNV-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB COc1cccc(C(=O)NC[C@@H](c2cccc3ccccc23)N2CCCC2)c1 10330594 XTEUUYIKZDRCJG-QHCPKHFHSA-N 374.484 4.415 0 40 FIAB C[C@@H](Sc1nccn1-c1cccc(F)c1)c1nc(-c2cccnc2)no1 40042756 NEVIZMDRQRZVKA-GFCCVEGCSA-N 367.409 4.310 0 40 FIAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)ccc1OC 40162347 RLVSCIRXFZXBQW-UHFFFAOYSA-N 370.474 4.328 0 40 FIAB CCCCCn1c(=N)n(CCOc2ccc(OC)cc2)c2ccccc21 20149851 ACNZSQMKTPGWHD-UHFFFAOYSA-N 353.466 4.200 0 40 FIAB CCCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc21 100498456 FTWKQPANEXIXIZ-UHFFFAOYSA-N 370.836 4.413 0 40 FIAB Cc1c([C@@H](Nc2ccccn2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 20790022 QNVGAHIRDVXXEW-QFIPXVFZSA-N 370.456 4.081 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCCn1ccc2ccc(Cl)cc21 40819753 XQRODJWIHOBBGX-UHFFFAOYSA-N 351.837 4.135 0 40 FIAB biogenic c1csc(CN(Cc2nc(-c3cccs3)no2)C[C@H]2CCCO2)c1 32751566 ORQOQCGERUOHFG-CYBMUJFWSA-N 361.492 4.041 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1c1ccc(Cl)cc1 32796217 VZRWTKIJRQXWMZ-QGZVFWFLSA-N 353.805 4.424 0 40 FIAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1cccc2ccccc12 21461793 SZJDVTURMXUISA-AWEZNQCLSA-N 366.490 4.277 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(OCC(F)(F)F)cc1 32865850 LYZCIPUVJBDLBX-UHFFFAOYSA-N 363.339 4.075 0 40 FIAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)C12CC3CC(CC(C3)C1)C2 8749003 UYAWHFZXSKMCMR-IVKJLDKCSA-N 359.539 4.271 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)c1 848230 JDFTZQCRJJWEFX-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB COc1ccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336868 RUIIZFJTPXKOQE-UHFFFAOYSA-N 372.465 4.126 0 40 FIAB CCc1nc(SCC(=O)N2CCCC[C@H]2C)c2c(C)c(C)sc2n1 1372139 LZUUBLPISAESAB-LLVKDONJSA-N 363.552 4.364 0 40 FIAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc2ccccc12 2630670 HOTKJZFEYMDLLS-UHFFFAOYSA-N 352.821 4.252 0 40 FIAB CCCCSc1nnc(CSc2ncccn2)n1-c1ccccc1 2706062 IRRCPEUHGCYXLF-UHFFFAOYSA-N 357.508 4.242 0 40 FIAB O=C(CN(Cc1ccco1)C1CCCC1)Nc1ccc(N2CCCC2)cc1 53139752 JTOYAUBOOOFJDR-UHFFFAOYSA-N 367.493 4.263 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 6613619 HZZFDCNHFWICLU-UHFFFAOYSA-N 353.491 4.112 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1Cl 7108476 GOBNLEVBNFDLID-MISXGVKJSA-N 358.265 4.234 0 40 FIAB Cc1nnc(S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)O)o1 7603514 BTLIKROOYXPGAB-BOPFTXTBSA-N 368.414 4.175 0 40 FIAB CCSc1ccccc1C(=O)NCc1nc(-c2ccc(C)cc2)no1 7684436 VVCUKVATEGLTPQ-UHFFFAOYSA-N 353.447 4.087 0 40 FIAB Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 8344098 NYYIASPMAFCDDA-IBGZPJMESA-N 365.521 4.444 0 40 FIAB O=C(O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 715593 SWCGFPYTBVJJQK-UHFFFAOYSA-N 368.392 4.469 0 40 FIAB C[C@@H](OC(=O)c1sccc1-n1cccc1)C(=O)c1c[nH]c2ccccc12 22888291 ROYRPPCVCPZULF-CYBMUJFWSA-N 364.426 4.448 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc3c(C)cc(=O)oc3c2)cc1C 846914 JSCQNDSEGHUZTC-HNNXBMFYSA-N 351.402 4.124 0 40 FIAB CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(C(F)(F)F)nc4nc3C2)cc1 20671697 WWWCDCDNVPZMLR-ZDUSSCGKSA-N 374.366 4.179 0 40 FIAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(C(F)(F)F)c1 23230048 NMKMSIUDPIFVPY-KRWDZBQOSA-N 369.408 4.404 0 40 FIAB Cc1nnc(SCC(=O)NC2CCCCCC2)n1C1CCCCC1 1016233 KSLWHZACQQJXFA-UHFFFAOYSA-N 350.532 4.023 0 40 FIAB C[C@H](Sc1n[nH]c2nc3ccccc3n12)c1nnc(-c2cccs2)o1 23982607 CBAYWYROARFTRP-VIFPVBQESA-N 368.447 4.175 0 40 FIAB O=C(c1cc(Cl)cc(Cl)c1)c1ccccc1CN1CCOCC1 43211492 OVKVGFNBNNDWPT-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB Cc1ccc(OS(=O)(=O)c2ccc(F)cc2Cl)c2c1[C@H](C)CC2=O 24839126 ANFUSZKNVKERFT-SNVBAGLBSA-N 368.813 4.245 0 40 FIAB Cc1cccc(N2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c1C 12534462 KQBLQZRZIKVBKS-GOSISDBHSA-N 362.477 4.237 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2cccnc2)cc1)c1ccccc1 12540826 LCJTZYVHXNKUKD-NRFANRHFSA-N 371.440 4.311 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c1 3233043 PGHCCKHECJIIHB-RYUDHWBXSA-N 355.887 4.008 0 40 FIAB COc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)O)cc1 21006002 BQLGCVKIDAJSGU-UHFFFAOYSA-N 358.394 4.329 0 40 FIAB O=C(CSCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 28184185 XCYBZMWJHAFNHS-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB CCCNc1c(NC(=O)Cc2ccc(Cl)cc2)c(=O)oc2ccccc12 28049005 BQPKDMVTLNUMMZ-UHFFFAOYSA-N 370.836 4.450 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)NCCCc1ccc(Cl)cc1 10543417 YMPFCAQHFMSVIN-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB CCOc1ccc(OCC)c(C(=O)NCc2coc(-c3cccs3)n2)c1 10880140 FWIPNEUOCMMXAT-UHFFFAOYSA-N 372.446 4.131 0 40 FIAB C[C@H]1CCCc2sc3ncn4nc(-c5ccccc5C(=O)O)nc4c3c21 2357957 AUYIPEHCJGVVBT-JTQLQIEISA-N 364.430 4.144 0 40 FIAB COc1ccc([C@H](CNc2nc3ccccc3o2)N2CCCCC2)cc1 29319918 LDOJUIYKFGCCMD-IBGZPJMESA-N 351.450 4.476 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 12810176 CRLAIAQPBJRWEB-AVRDEDQJSA-N 366.505 4.326 0 40 FIAB CCc1cccc(CC)c1NC(=O)CCN1C(=O)CSc2ccccc21 12973211 GAIABDKNJUSJBC-UHFFFAOYSA-N 368.502 4.279 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCCC2)cc1 20044234 PIXWGPDAWNTPQU-UHFFFAOYSA-N 363.461 4.056 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 64334640 BYXWTNLXEGNSII-JTQLQIEISA-N 362.455 4.316 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c1 14094418 OCQPMTTUGIOCLJ-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)NCC1CCCCC1 5391961 PAJSXGNQJGYUFS-UHFFFAOYSA-N 365.886 4.179 0 40 FIAB C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 6566655 GDUZCGDKCSGHBP-QMMMGPOBSA-N 373.623 4.226 0 40 FIAB CCc1cccc2c(C(=O)C(=O)N3CCCCC3)cn(Cc3ccccc3)c12 6659316 QTIMIUAJMDLCEG-UHFFFAOYSA-N 374.484 4.447 0 40 FIAB CC(C)Sc1nc(SCCO)c2sc3c(c2n1)COC(C)(C)C3 6759907 FZFDNSQOXUVAOQ-UHFFFAOYSA-N 370.565 4.128 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(F)ccc3F)n2)cc1 22064984 MXPUXGAQNAMFLG-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccc(F)cc1 6890087 JXEYFYOUCICNTC-UHFFFAOYSA-N 365.360 4.414 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 7002967 HHDXYLAXAPPDQF-MRXNPFEDSA-N 365.477 4.319 0 40 FIAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N1CCCCCC1 7206272 SYTCIXBVULYXML-CYBMUJFWSA-N 362.524 4.165 0 40 FIAB CN1CCN(c2ccccc2NC(=O)c2ccccc2-c2ccccc2)CC1 7717838 UTDYKMGBQUBYPG-UHFFFAOYSA-N 371.484 4.358 0 40 FIAB C[C@H]1CCc2sc(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2C1 7980212 QLLNJCBBRGRGNB-NSHDSACASA-N 372.881 4.359 0 40 FIAB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Cl 9446473 GBHIVOUYWVAPIF-UHFFFAOYSA-N 368.864 4.480 0 40 FIAB Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(C)C 84023030 LBGULTCZUBGGLN-ABKXIKBNSA-N 370.280 4.078 0 40 FIAB COC(=O)CCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 72274583 YDXYXLUEPDRIBR-UHFFFAOYSA-N 359.426 4.253 0 40 FIAB COc1ccc([C@@H](C)NC(=O)/C=C/c2nc3ccccc3s2)c(OC)c1 84651685 WTJSKSZTEMFAEL-OCHBPSSRSA-N 368.458 4.204 0 40 FIAB COc1ccccc1N(Cc1ccc(C)cc1)S(=O)(=O)c1ccccc1 408625924 JQLTYJUJNVKBAL-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB CC(C)[C@H](OC(=O)CCN1CCCC1=O)c1c(Cl)cccc1Cl 89791416 WERMWCVEBAHBCW-KRWDZBQOSA-N 358.265 4.246 0 40 FIAB COc1cc(-c2noc(-c3ccc(Oc4cccnc4)cc3)n2)cc(C)n1 555505408 DZOCHRXVWYADGT-UHFFFAOYSA-N 360.373 4.303 0 40 FIAB O=C(O)c1ccc(CNC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 20140386 MNICCPGFYYAUSF-UHFFFAOYSA-N 373.767 4.367 0 40 FIAB CCc1ccc(-c2[nH]c(=Nc3cccc(C)c3)sc2CC(=O)O)cc1 408888680 YWVVRFDGCNMECG-UHFFFAOYSA-N 352.459 4.474 0 40 FIAB O=C(Nc1cc(Cl)ccc1Sc1ccccc1)N1CCC(O)CC1 514507965 CLBPXPDAJCEPQT-UHFFFAOYSA-N 362.882 4.480 0 40 FIAB COC(=O)c1cc(NC(=O)COc2ccc(Cl)c(C)c2)ccc1Cl 31056354 USGFEHKFIUGELC-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB Cc1ccc(C[C@@H](C(=O)O)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 35142027 HWPYXNZTJGFSAT-CZUORRHYSA-N 359.853 4.475 0 40 FIAB CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nn(Cc2ccccc2)c1C 524096891 SHNLHDRWNUBIPE-OAQYLSRUSA-N 361.489 4.299 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218973331 UWENVTFBWPLSFS-LPHOPBHVSA-N 353.462 4.489 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1cccc(NC(=O)c2cccnc2)c1 32827153 TZELIOKWOOBVOU-KRWDZBQOSA-N 373.456 4.085 0 40 FIAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)C2CCCC2)C1 72358948 OITLUJBIABDKTN-KRWDZBQOSA-N 365.477 4.048 0 40 FIAB C[C@@H]1C[C@H](CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)CC(C)(C)C1 78621991 IXDMPSMIAGWLKX-KFWWJZLASA-N 364.559 4.036 0 40 FIAB FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(Cc4ccncc4)C3)n2)c1 72369957 YEEURVYXFMZFAT-OAHLLOKOSA-N 374.366 4.140 0 40 FIAB O=C(NCc1cccc(-c2ncc[nH]2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F 538679566 GLCJUTMVKKJOHW-GJZGRUSLSA-N 351.372 4.062 0 40 FIAB CSCc1cccnc1C(=O)Nc1cccc(OCC(F)(F)F)c1C 555152461 CMNZAACESYJTLB-UHFFFAOYSA-N 370.396 4.446 0 40 FIAB O=C(C1CCC1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349338 SEAVVWCTYBOINT-SFHVURJKSA-N 352.453 4.318 0 40 FIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1 71115848 QENKDEXBKLZRIF-UHFFFAOYSA-N 367.424 4.325 0 40 FIAB COc1ccc(CCC(=O)Nc2nnc(SCC(C)C)s2)cc1C 224867688 YKYXMRPILKABEC-UHFFFAOYSA-N 365.524 4.175 0 40 FIAB COC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCCC1 225630600 DPYQPODMENETQT-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 42645583 ZEXVZCMEBAWEBS-CQSZACIVSA-N 374.868 4.228 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccccc1C(C)C 223777260 QBQHRPZTHDYQIP-FQEVSTJZSA-N 371.477 4.171 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3F)o2)c1 224846238 MPZYFKRUUDEDIA-UHFFFAOYSA-N 358.344 4.200 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC(C)C 222799510 OQQRQVFEPQQYNC-INIZCTEOSA-N 373.324 4.425 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)cc2F)cc1C 225790339 ZMRZIGOCKZAEDM-ZDUSSCGKSA-N 350.434 4.336 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)s1 223483616 WTNQFTIEYISIIE-MSOLQXFVSA-N 366.515 4.019 0 40 FIAB COc1ccc(CCC(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1C 223208377 SIKSHGLCWQGAEZ-GOSISDBHSA-N 355.478 4.137 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC(C)C 222953700 KOYZSHYZFLPZLA-LJQANCHMSA-N 368.477 4.238 0 40 FIAB COc1ccc(-c2nc(N3CCCCC3)sc2CC(=O)O)cc1Cl 95097183 SCQZHXNLNQZTNL-UHFFFAOYSA-N 366.870 4.090 0 40 FIAB Cc1ccnc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257303246 SGJNHYVSTVRERF-SFHVURJKSA-N 363.417 4.080 0 40 FIAB CC(C)Cn1ncc(NC(=O)c2ccc3c(c2)OC(C)(C)C3)c1C(F)F 1632112883 JISMRTUBRRUKHJ-UHFFFAOYSA-N 363.408 4.443 0 40 FIAB C[C@@](CO)(Nc1nc(-c2cccc(Cl)c2)nc2c1CCCC2)C1CC1 1639611121 WFMAEHXNKNHNBX-FQEVSTJZSA-N 357.885 4.249 0 40 FIAB O=C(O)[C@@H](c1ccsc1)N1CCC(c2nc3ccccc3s2)CC1 652376026 QCSQMJKUEJNAJU-MRXNPFEDSA-N 358.488 4.363 0 40 FIAB O=C(NCc1ccc2occc2c1)Nc1ccc(OC[C@H]2CCCO2)cc1 665634233 XOFTYOFXHADODX-LJQANCHMSA-N 366.417 4.312 0 40 FIAB Cc1cc(-c2noc([C@H](C)N3CCOCC4(CCCC4)C3)n2)ccc1F 681477456 XUYLIFXGPJNRTF-HNNXBMFYSA-N 359.445 4.138 0 40 FIAB O=C(COC(=O)COc1cccc(Cl)c1)Nc1ccc2ccccc2c1 5802365 LTVWGJONIXPLOW-UHFFFAOYSA-N 369.804 4.054 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCSc2nc3ccccc3s2)cc1 14876728 IJSWOMJVVFYHIA-UHFFFAOYSA-N 371.487 4.376 0 40 FIAB O=C(c1ccccc1)[C@@]12COc3ccccc3[C@H]1ON=C2c1ccccc1 16940618 HFGZVHAAUBYIRX-PKTZIBPZSA-N 355.393 4.424 0 40 FIAB Cc1cccc(-c2cc(CNCc3ccccc3Cl)c3nnnn3c2)c1 19235307 AXNJWGHGSODEIP-UHFFFAOYSA-N 363.852 4.043 0 40 FIAB COc1cc(CN2CC[C@](O)(c3ccccc3)C2)ccc1OC1CCCC1 19550129 LVUIPOZXMFASPQ-HSZRJFAPSA-N 367.489 4.110 0 40 FIAB Cc1sc2c(C3CCN(C(=O)C[C@H]4C=CCC4)CC3)nc(C)n2c1C 19561789 NPRWVKMIMOGLFB-INIZCTEOSA-N 357.523 4.383 0 40 FIAB O=C1S/C(=C/c2ccccc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 205656935 BKDVFZCYBLPKAJ-OMCISZLKSA-N 373.817 4.305 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)CNc2ccccc2-c2ccccc2)c1 11618895 OQOFNMRADYYBFI-UHFFFAOYSA-N 374.440 4.499 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)cc1 4276068 WTGOJQKSNJUGCO-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3ccc(C=O)cc3)o2)cc1 15422808 RPWKEAXBKGFKLC-UHFFFAOYSA-N 354.431 4.419 0 40 FIAB O=C(NCCOc1cccc2cccnc12)c1ccc(Cl)cc1Cl 3901307 BPSJCRLEDXHJBR-UHFFFAOYSA-N 361.228 4.350 0 40 FIAB Cc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(F)cc2C3(C)C)cc1 5489922 QVYCZWMSQPSSKB-YUAYGMJFSA-N 350.437 4.161 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccccc1F 40071195 FIYNXSYCTIQAEG-CQSZACIVSA-N 366.440 4.189 0 40 FIAB O=C(CCCOc1ccccc1)N1CCC(OCc2ccccc2)CC1 40017867 RZXCHZJJWLUCLT-UHFFFAOYSA-N 353.462 4.053 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c(C)c1 40128128 WWFCAMXEASWHLG-UHFFFAOYSA-N 369.446 4.095 0 40 FIAB Cc1ccc(-c2nnc([C@@H](C)Nc3ccc4c(c3)OCCCO4)o2)cc1 32739742 ITOQAKGNMQFQDS-CQSZACIVSA-N 351.406 4.379 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(C)n1-c1ccccc1 907558 FBIGASTYDZCBTB-AWEZNQCLSA-N 352.463 4.003 0 40 FIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC1CCN(C)CC1 78578827 AGWISLNBISLTME-KRWDZBQOSA-N 354.947 4.059 0 40 FIAB COc1cccc(C2=NN3[C@H](CCSC)Oc4ccccc4[C@H]3C2)c1 102748285 SCIANXNUFDYGEB-QUCCMNQESA-N 354.475 4.318 0 40 FIAB CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cc1 3231707 BVFSPNGPFOSLMS-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N(C[C@H]1CCCO1)c1nc2ccccc2s1 102888376 WHKWALOBTNYKKI-CAOSSQGBSA-N 354.475 4.021 0 40 FIAB Cc1cc(C(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 4200071 PKIHNEBJDSCOFE-BLLLJJGKSA-N 374.790 4.291 0 40 FIAB COc1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1 6951348 XLAZFECQCVSWRV-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB Cc1nc(CSCCC(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)cs1 42398830 VAHCMARQUHJPSE-LRDDRELGSA-N 364.536 4.450 0 40 FIAB C[C@@H](c1cccs1)N(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 10518972 XEGJJMLKFAIWQZ-JTQLQIEISA-N 365.398 4.028 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccccc1OC(F)F 945359 HWRSNCSIBIPSLW-UHFFFAOYSA-N 362.357 4.313 0 40 FIAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1cccc2ccccc12 1061364 AVAGYKWACVLPKN-DKUDOZJNSA-N 354.453 4.477 0 40 FIAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccc(O)nn3)cc2)c1 24012161 FVDHEJIQFMZFKF-UHFFFAOYSA-N 351.431 4.203 0 40 FIAB COc1ccc([C@H](O)C2CCN(Cc3nc4ccccc4s3)CC2)cc1 24832740 FXLGCSJKJYECKK-NRFANRHFSA-N 368.502 4.251 0 40 FIAB O=C(COC(=O)c1ccccn1)Nc1ccccc1Sc1ccccc1 3234243 OGQLZIYQLUDYTR-UHFFFAOYSA-N 364.426 4.028 0 40 FIAB CCOc1ncccc1NC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 48081297 XGVCPRFENWFBFN-ZDUSSCGKSA-N 350.422 4.113 0 40 FIAB Cc1c(NC(=O)CC(C)C)cccc1C(=O)N1CCc2sccc2C1 26044994 DFMBWECXFUPWSJ-UHFFFAOYSA-N 356.491 4.240 0 40 FIAB O=C(Nc1ccc(F)cc1)C1CCN(c2nc3ccccc3s2)CC1 35290293 KPIOFCUNIWYDGQ-UHFFFAOYSA-N 355.438 4.291 0 40 FIAB C[C@@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 59391138 KWJOPTMAOYAFAH-SNVBAGLBSA-N 370.758 4.175 0 40 FIAB CCCCCOC(=O)[C@H](C)n1cnc2scc(-c3ccccc3)c2c1=O 1776869 UURZNUJPZXVERU-AWEZNQCLSA-N 370.474 4.419 0 40 FIAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccccc1OC(F)F 22373987 QLIOYAPZQQKNLI-UHFFFAOYSA-N 359.294 4.279 0 40 FIAB COC(=O)N[C@H](Sc1nc2ccccc2s1)C(=O)c1cccs1 27015432 NHZQAAZQTHAFAQ-CYBMUJFWSA-N 364.473 4.015 0 40 FIAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccon1 10340915 BJVNLVBVVYOJSN-UHFFFAOYSA-N 368.443 4.077 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Cl)cc2)cc1 58391503 WMVKJNUGOZVFMV-UHFFFAOYSA-N 358.854 4.208 0 40 FIAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)n[nH]2)CC1 64875492 XEUKZNKZAVJXGQ-UHFFFAOYSA-N 362.861 4.240 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3c(C)noc3n2)cc1 36614251 RJDCOLQLXKWXAD-ZDUSSCGKSA-N 365.433 4.079 0 40 FIAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 11218358 WSJBCNYZMDXHOR-UHFFFAOYSA-N 374.897 4.303 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)cc1 11607940 OHALSEBCLOXJDK-NSHDSACASA-N 353.390 4.416 0 40 FIAB COc1ccc(-c2nc(NC(=O)Cc3ccccc3OC)sc2C)cc1 3554278 ULZUUDJLJXIESG-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB Cc1[nH]c2ccc(C(=O)Nc3nnc(Cc4ccccc4)s3)cc2c1C 12937606 UEQYHPVCXIVKLO-UHFFFAOYSA-N 362.458 4.479 0 40 FIAB CCOC1CCN(C(=O)NCc2ccccc2Oc2ccccc2)CC1 63322608 BIMHRZXAZDHIPA-UHFFFAOYSA-N 354.450 4.189 0 40 FIAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(C(C)C)CC2)o1 5093364 XZJYJFJKCKOSNZ-LJQANCHMSA-N 365.477 4.332 0 40 FIAB CN(C)c1cccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 13956872 XDKLVIQZKUTRNV-UHFFFAOYSA-N 355.854 4.239 0 40 FIAB CCC(=O)Nc1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 29074985 CIXCJWGURNOJNQ-UHFFFAOYSA-N 362.433 4.090 0 40 FIAB O=S(=O)(c1cccc(F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 14242302 BVEGYALMDDRWEP-IBGZPJMESA-N 373.474 4.224 0 40 FIAB CCN(CC(=O)N[C@@H]1CCCC[C@@H]1C)Cc1ccc(Br)s1 19542434 LFTGXXDZJKEYSL-GXTWGEPZSA-N 373.360 4.027 0 40 FIAB Cc1cccc(NC(=O)CCC(=O)OCC(Cl)=C(Cl)Cl)c1C 5748070 FFGPXXMADBYCBI-UHFFFAOYSA-N 364.656 4.451 0 40 FIAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5979805 SZWVUCTVDTWPMQ-UHFFFAOYSA-N 365.351 4.372 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)c2ncccc12 15840689 WUNDSIIMZVJQIP-INIZCTEOSA-N 354.381 4.179 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(C)cc2C)c1 15828147 NPJJLDAPULIEEQ-IBGZPJMESA-N 369.461 4.063 0 40 FIAB CCOc1ccc([C@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 7785797 PIGPTHGHFJNPTL-QZTJIDSGSA-N 364.449 4.140 0 40 FIAB O=C(CCSc1nccc(C(F)(F)F)n1)Nc1cccc(Cl)c1 25063977 CZNCVVCKKXTFIE-UHFFFAOYSA-N 361.776 4.270 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 21596351 GQNHRULBJLHTKT-UHFFFAOYSA-N 357.410 4.103 0 40 FIAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc2ncccc2c1 22931763 DRYBZIRPPHXNKA-JOCHJYFZSA-N 360.505 4.116 0 40 FIAB Cc1cccc(C(=O)N[C@@H](C(=O)N[C@@H](C)c2cc(C)ccc2C)C(C)C)c1 36062697 HSOGSXNBVWPQCD-GHTZIAJQSA-N 366.505 4.244 0 40 FIAB CCN(CC)C(=O)Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 4340239 ONWSZQXSHGZWDD-UHFFFAOYSA-N 367.401 4.309 0 40 FIAB biogenic CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C=O)cn1 72214590 BPBWASPZSCVWFH-KRWDZBQOSA-N 361.486 4.163 0 40 FIAB COc1cccc2cc(C(=O)NC[C@@H](OC)c3ccc(Cl)s3)oc12 225702718 QFFKRDQVUCAZQT-CYBMUJFWSA-N 365.838 4.274 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2Cl)c1 225372073 KPQAYXWPGABGKS-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCC1CCCCC1 224557856 DEQUVFXAJXIQEH-UHFFFAOYSA-N 350.462 4.277 0 40 FIAB O=C(NCc1ccc(F)cc1)N(CCc1cccs1)Cc1ccco1 75154771 TUNSDWNGJOBFKG-UHFFFAOYSA-N 358.438 4.435 0 40 FIAB CC[C@H](NC(=O)c1ccc(OC)c(Cl)c1)c1ccc(OC)c(OC)c1 225479229 VLQHNRLKKFSJEH-HNNXBMFYSA-N 363.841 4.247 0 40 FIAB O=C(Cc1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12 222938656 FKZAABPWRRXTKA-UHFFFAOYSA-N 353.853 4.049 0 40 FIAB Cc1cccc(OCC(=O)NCCSCc2c(F)cccc2Cl)c1 222752837 RYEVLIQVKVBETE-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)o1 224553645 BYYXZRQNXLXMHT-OALUTQOASA-N 365.458 4.169 0 40 FIAB O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1S2)c1cccc(F)c1 96231195 WSCUXPZRQRWWSF-UHFFFAOYSA-N 365.389 4.190 0 40 FIAB O=C(c1cnc(Oc2ccccc2)cn1)N1CCC[C@H]1Cc1ccccc1 90997734 JUCHNERIVDONKG-SFHVURJKSA-N 359.429 4.116 0 40 FIAB CC(C)n1c(CCCCCNC(=O)c2ccccn2)nc2ccccc21 96231174 WIYZPSLGLYVAFH-UHFFFAOYSA-N 350.466 4.155 0 40 FIAB CC(=O)N[C@@H]1C[C@H](c2ccc(N3CCCC3)cc2C)O[C@@H]2CCCC[C@@H]12 257292653 QMLKTFNMASYNMX-DXBBTUNJSA-N 356.510 4.120 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2cncc3ccccc23)CC1 257284825 PEMKCSFEXUJGTL-GOSISDBHSA-N 366.505 4.223 0 40 FIAB COc1ccccc1-c1noc(C)c1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 252013831 UMHHMTLZIXLVEC-VWNJHIHFSA-N 354.450 4.213 0 40 FIAB C[C@@H](NC(=O)OCc1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C 261508879 XWYCDJKTHMQJST-WBVHZDCISA-N 362.470 4.091 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)Nc1cccs1 1775966965 XMJRAEXIKARFDI-LLVKDONJSA-N 350.490 4.393 0 40 FIAB O=S1(=O)CC[C@H](Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)C1 5685066 RAJCZOYAGOXCJB-INIZCTEOSA-N 371.483 4.288 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)cc1 11637201 WIIUKEJGAONETA-IBGZPJMESA-N 355.434 4.276 0 40 FIAB C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)c1ccccc1 12087788 CJNONHPFEREEGU-INIZCTEOSA-N 359.473 4.327 0 40 FIAB CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3C)n2)cc1 12986696 BVQMRQKMAFBJFC-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB C[C@H](O)c1ccc(C2(CNC(=O)c3cccc(N(C)C)c3)CCCC2)s1 225681046 FCDDYOFZVIGSHM-HNNXBMFYSA-N 372.534 4.109 0 40 FIAB COc1cccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 10023977 YLQNNRIUVFQZDQ-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB Cc1ccc(CNC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 5146674 PEVXMWVOODWYIY-UHFFFAOYSA-N 361.470 4.230 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1F 5269393 WWMWIXFRRRETEN-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB COc1cccc2s/c(=N\C(=O)c3ccc(C(C)(C)C)cc3)n(C)c12 100843346 NUDSFTSGTJPEAA-VZCXRCSSSA-N 354.475 4.287 0 40 FIAB CCn1c(SCCCOc2ccccc2C=O)nnc1-c1ccccc1 8731793 OCNHEYXKINZLAO-UHFFFAOYSA-N 367.474 4.339 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(F)c(Cl)c1 51354046 UAKQZAUPKFVAHE-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB Cc1ccc(CC(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)cc1 32677448 LPYBMOVTKJFHIK-GOSISDBHSA-N 360.457 4.389 0 40 FIAB COc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 682386 GPTYOQQKJCNNCO-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB COc1cc(C=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1 684596 HJKUEAJCJCOVKN-UHFFFAOYSA-N 361.397 4.251 0 40 FIAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C1CCCCC1 906678 ZYDQGTNFFKJZLA-UHFFFAOYSA-N 359.495 4.329 0 40 FIAB CCOc1ccc(NC(=O)[C@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)O)cc1 1088596 AOVBKLOZAUDWCY-OXJNMPFZSA-N 369.461 4.220 0 40 FIAB Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(Cl)c(Cl)c1)N2 2220026 OLTYJANLPKLDBA-HUUCEWRRSA-N 360.248 4.313 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 3362181 BQXVSSHIGFIKJB-NRFANRHFSA-N 370.452 4.341 0 40 FIAB CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 3437044 PBHVVMUSXJGTRA-UHFFFAOYSA-N 355.287 4.065 0 40 FIAB COc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 4154555 DUNKPKSTVKHSHK-UHFFFAOYSA-N 351.402 4.338 0 40 FIAB Cc1ccccc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 4585383 GHIDETXXTILKLC-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB CN(C)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 4748857 NLIYOYYGVQSCCE-UHFFFAOYSA-N 359.429 4.257 0 40 FIAB CCc1cc2ccccc2nc1SCC(=O)N1CCc2ccccc2C1 4849247 UKYDTKKSJWPEOT-UHFFFAOYSA-N 362.498 4.474 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nccn2-c2cccc(F)c2)c1C 5174698 NHMHQYMHDRPWFZ-UHFFFAOYSA-N 371.437 4.134 0 40 FIAB Cc1cc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)no1 5260102 VSRFOSVWYHEDOA-UHFFFAOYSA-N 352.419 4.424 0 40 FIAB CC(=O)c1cccc(OCc2nnc(-c3ccc(Br)cc3)o2)c1 5438841 QRHADCGYIBOARR-UHFFFAOYSA-N 373.206 4.281 0 40 FIAB C[C@H](Sc1nc(Cc2ccccc2)n[nH]1)C(=O)Nc1cccc(Cl)c1 5486827 SBPSYIMLWZBCDX-LBPRGKRZSA-N 372.881 4.168 0 40 FIAB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(C)cc1 5711993 OLMIFOWJMSCDNV-LZYBPNLTSA-N 370.836 4.018 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSc1ccc2ccccc2c1 5780282 BRMPGCFNRZMBOL-KXBFYZLASA-N 371.502 4.170 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(Cl)c(N)c1 5785941 VNQLIMPBSFXHNV-HACGYAERSA-N 367.873 4.083 0 40 FIAB Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 6078233 QEWSLNZITPQMSR-UHFFFAOYSA-N 372.273 4.104 0 40 FIAB CCOc1ncccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 6154085 UFCVDSPMFBSEIE-UHFFFAOYSA-N 358.401 4.276 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CCC2 6471074 YJLRXVQSMKWKOX-MRVPVSSYSA-N 357.262 4.345 0 40 FIAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c(C)c1 6472591 GECQZAKIGDFABI-UHFFFAOYSA-N 366.442 4.450 0 40 FIAB Cc1cc(C)n(CCCNc2nc(-c3cccnc3)nc3ccccc23)n1 6507554 SKEMXWQLANYPHJ-UHFFFAOYSA-N 358.449 4.007 0 40 FIAB COc1ccc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)cc1 6826185 FFELVEFTAKEXMA-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB COc1ccc(CN(C)C(=O)/C=C/c2nc3ccccc3s2)cc1F 7783221 CVWLGJDWZDQQDD-MDZDMXLPSA-N 356.422 4.116 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2cccc3ncccc23)c1 8207289 UYZDETXQYBHWLL-UHFFFAOYSA-N 357.207 4.258 0 40 FIAB O=C(CCCNC(=O)c1ccc(Cl)cc1)NC1CCCCCCC1 8719270 IOPNVGPGRBJETJ-UHFFFAOYSA-N 350.890 4.079 0 40 FIAB Cc1csc(=O)n1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 8755628 NPEQHCOJNLBBFK-UHFFFAOYSA-N 354.431 4.039 0 40 FIAB CCOc1ccccc1C(=S)N1CCN(c2cccc(Cl)c2)CC1 9188009 KBGWGTNKPWSBQU-UHFFFAOYSA-N 360.910 4.236 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)NCCc1c[nH]c2ccccc12 9577169 JBRLQHXVWCMQGA-UHFFFAOYSA-N 367.499 4.254 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 9992245 CNLVOZDGUJBERE-INIZCTEOSA-N 372.896 4.020 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccc(F)c(F)c2)no1 11913878 FJOCZQBAZMWLEI-UHFFFAOYSA-N 364.735 4.291 0 40 FIAB COc1ccc(Cc2nn3c(-c4ccccc4Cl)nnc3s2)cc1 12322978 MQVNTEQKNHXUBH-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB C[C@H](NC(=O)C1(c2ccc(F)cc2)CCCC1)c1nc2ccccc2[nH]1 12687287 MNDRDBZSJMVGDB-AWEZNQCLSA-N 351.425 4.391 0 40 FIAB Cc1cc(C)c(NC(=O)CN(Cc2ccco2)Cc2ccco2)c(C)c1 12745389 LRPPJRHBPWYJMX-UHFFFAOYSA-N 352.434 4.439 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)c1ccc(OCc2cscn2)cc1 12774469 XUBIIKDIKWQQAY-UHFFFAOYSA-N 356.422 4.133 0 40 FIAB O=C1NC(c2ccccc2)=N/C1=C\c1ccc(-c2nc3ccccc3o2)o1 13574565 RHCSDYJIHKIEPD-VBKFSLOCSA-N 355.353 4.005 0 40 FIAB CC[C@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C)cc1 14241781 ZSJKIRVAJQJDDQ-HKUYNNGSSA-N 365.395 4.403 0 40 FIAB C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1 14260772 ZMFQDPITAGLCDZ-CZUORRHYSA-N 356.853 4.108 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 14404439 NOTNNDWEGGXKSE-UHFFFAOYSA-N 374.400 4.277 0 40 FIAB COc1ccc(NC(=O)c2ccccc2Br)c2cccnc12 15840597 XANPAQKMLDQELR-UHFFFAOYSA-N 357.207 4.258 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(Cl)cc1C(F)(F)F 16101088 PLFXIUZMYFVDRW-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB O=C(Cn1cnc2ccccc21)Nc1ccc(Br)c(Cl)c1 16545633 JIGJALSEDZVVGC-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB Cc1ccc(Cc2nnc(SCc3cccc(Cl)c3)nc2O)cc1 16777303 MHWGGGYIEIZZQY-UHFFFAOYSA-N 357.866 4.422 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 16780721 VAGOFAOGEGNATL-CHWSQXEVSA-N 359.919 4.104 0 40 FIAB CCc1ccc(-c2cc3c(=O)n(Cc4ccc(C)cc4C)ccn3n2)cc1 16840099 GGFOGXLTFCAQHQ-UHFFFAOYSA-N 357.457 4.391 0 40 FIAB O=C1N/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccccc1 17015751 SGKQSBVPINGKED-PDGQHHTCSA-N 362.360 4.179 0 40 FIAB CC[C@H](C)NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 18210460 UHBSRQUXZFSYLJ-XHVZSJERSA-N 372.416 4.133 0 40 FIAB Fc1ccccc1CN(CCCn1ccnc1)Cc1cccc(F)c1F 19348701 ANXWSYHWNBAEHB-UHFFFAOYSA-N 359.395 4.393 0 40 FIAB C[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)N(C)C)c1nc2ccccc2s1 19459809 VFOWKFCUTDVYIE-SJCJKPOMSA-N 373.909 4.430 0 40 FIAB CCc1nc2cc(NC(=O)c3ccccc3Cn3ccnc3)ccc2n1CC 19523221 JHIXCCHLFOBOLC-UHFFFAOYSA-N 373.460 4.116 0 40 FIAB CC(C)C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 21596301 BUMXZXASXMYWAN-UHFFFAOYSA-N 355.488 4.432 0 40 FIAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1 22075078 QYURARINJHLONL-OAQYLSRUSA-N 363.457 4.097 0 40 FIAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3Cl)CC2=O)c1 24746310 AIZVMVXBLQGHNM-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CC(=O)N(C2CC2)C1 25828928 MIDYVYHEBWTAPQ-ZDUSSCGKSA-N 370.836 4.082 0 40 FIAB CCN(CC)C(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 27694249 ZWIMWLPEQFVAOB-UHFFFAOYSA-N 355.869 4.149 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2CC)cc1OCC 30755526 QIQSQCHPVSWQQD-INIZCTEOSA-N 371.477 4.130 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1ccc(Cn2ccnc2)cc1 30938605 VHWPOUBPEAGYNJ-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1C 31704441 RIRFPFRVGISDKG-CQSZACIVSA-N 353.447 4.228 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)c1C 37183513 JPQOJPCFCMBDIW-CYBMUJFWSA-N 369.490 4.147 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(Cl)c1 38772123 WVIHJZKBLGIZOO-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40142087 KFPZRLHAEJZEPI-UKRRQHHQSA-N 370.415 4.388 0 40 FIAB CC(=O)Oc1ccccc1-c1nc(/C=C/c2ccccc2Cl)nn1C 40488324 UBRQQJJDBRKVQE-VAWYXSNFSA-N 353.809 4.231 0 40 FIAB O=C(Nc1ccc(NC(=O)c2ccco2)c(C(F)(F)F)c1)c1ccoc1 44583868 GHFIBINQRKBBMS-UHFFFAOYSA-N 364.279 4.396 0 40 FIAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1F)OCN(C(C)C)C3 54333104 ZARHTAVGWSXXQK-UHFFFAOYSA-N 353.393 4.468 0 40 FIAB biogenic CN(Cc1ccc(Cl)cc1Cl)[C@@H](C(=O)NC1CC1)c1ccccc1 57446693 UPDDLMNWOKDJDS-GOSISDBHSA-N 363.288 4.445 0 40 FIAB O=C(NCCc1coc(-c2ccccc2)n1)Nc1cccc(Cl)c1F 58305188 ALELCVIGNIIMEG-UHFFFAOYSA-N 359.788 4.498 0 40 FIAB CCCOCc1ccccc1CNc1cnn(C(C)(C)C)c(=O)c1Cl 60244201 KDPNCDFRHCPOER-UHFFFAOYSA-N 363.889 4.190 0 40 FIAB Fc1ccc([C@H]2CN(CCOc3cccc4ccccc34)CCO2)cc1 64951617 LWNYXYVVKNIFQU-JOCHJYFZSA-N 351.421 4.431 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1ccccc1Cl 69117573 BBXPVASLOYZFJO-SECBINFHSA-N 359.838 4.142 0 40 FIAB COc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1F 71325909 RLKJTOJQBNJAEO-UHFFFAOYSA-N 355.232 4.406 0 40 FIAB C[C@@H]1C[C@@H]1c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889977 MMBKENZBPSCQRV-RISCZKNCSA-N 363.255 4.052 0 40 FIAB O=C(CCCc1nc2ccccc2s1)Nc1cc(C(F)(F)F)no1 72311491 SQOKHSZCSRNNIY-UHFFFAOYSA-N 355.341 4.265 0 40 FIAB CN(CCc1ccccc1)c1ncc(-c2cnccn2)c(-c2cccs2)n1 72340284 QZVFNMDJFRZAME-UHFFFAOYSA-N 373.485 4.341 0 40 FIAB CCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1OCCC 72414217 DVZVDGDOOBZBFH-NVXWUHKLSA-N 369.527 4.121 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 78579220 SADUDLOPKSDIQE-OAHLLOKOSA-N 367.474 4.150 0 40 FIAB Cc1nc(C(=O)N(C)[C@H](C)c2ccco2)nn1-c1ccccc1C(C)C 84280562 ODZYWYCFAIGQJV-CQSZACIVSA-N 352.438 4.125 0 40 FIAB CN(C)c1ccccc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 89326820 BDHVAKGVIPCNOT-INIZCTEOSA-N 359.857 4.091 0 40 FIAB COC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](c1ccccc1)C2 95946943 FMKZRPHZXOFRDD-CQSZACIVSA-N 355.459 4.156 0 40 FIAB COc1cccc2c1ccn2CC(=O)N[C@H]1CCCc2c1[nH]c1ccccc21 96223518 LBZGRURPMLPSSW-IBGZPJMESA-N 373.456 4.325 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 222968801 NMDMZIRFLKIFBP-IBGZPJMESA-N 366.461 4.226 0 40 FIAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223519179 OCSTXWNWFWUPNK-QGZVFWFLSA-N 367.489 4.436 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2C)cc1Cl 224958844 FZAXLKLVCKAOGU-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)N[C@@H](C)CC 225344794 CEFIYKZRXRJNFP-STQMWFEESA-N 373.324 4.425 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225621209 CTTYDRJLIALUND-ACJLOTCBSA-N 357.878 4.288 0 40 FIAB CN(C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 225904749 UBXGEPXOEDKQQA-MRXNPFEDSA-N 360.860 4.354 0 40 FIAB Cc1cc(C)nc(Nc2ccc(C(=O)N(C)c3ccc(F)cc3)cc2)n1 225913121 BJWNQFWQCKYDNC-UHFFFAOYSA-N 350.397 4.253 0 40 FIAB CCOCC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257338785 YYYXUEQAXVSEHL-QGZVFWFLSA-N 362.857 4.009 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)cc4)c3)C(=O)[C@H]2C1 408682724 LJCJXRWCARHQQE-UXHICEINSA-N 374.440 4.093 0 40 FIAB COc1ccc(NC(=O)N2CCCC(F)(F)CC2)c(Br)c1 585123584 GTCGDJLZBZRJFP-UHFFFAOYSA-N 363.202 4.111 0 40 FIAB Cc1ccc(CC2CN(C(=O)Nc3ccc(-n4cccn4)cc3C)C2)cc1 666861737 JVSGMZKQFKKFQH-UHFFFAOYSA-N 360.461 4.196 0 40 FIAB C[C@@H](O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)cc1 1242647649 GTLDFMSRJGYPGD-OAHLLOKOSA-N 356.425 4.196 0 40 FIAB CC(C)(C)N1CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 1320186537 KFQADRJUDSOKDE-UHFFFAOYSA-N 353.466 4.427 0 40 FIAB C[C@](CO)(Nc1nc(-c2cccc(Cl)c2)nc2c1CCCC2)C1CC1 1639611122 WFMAEHXNKNHNBX-HXUWFJFHSA-N 357.885 4.249 0 40 FIAB CC(C)SCc1nnc2sc(-c3ccc(Br)cc3)nn12 1772491272 LSMPLBXGUSRECL-UHFFFAOYSA-N 369.313 4.257 0 40 FIAB CCOC(=O)c1cc2cc(OC(F)(F)F)cc(Br)c2o1 1775955823 ZRIHOWNAGVHYEM-UHFFFAOYSA-N 353.090 4.271 0 40 FIAB Brc1cnc(NC[C@@H](c2ccsc2)c2ccco2)nc1 1775969591 BTVOQBIIYMRKIY-LBPRGKRZSA-N 350.241 4.138 0 40 FIAB FC(F)(F)c1cccc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1775972483 IBIGPVDQSNTGMY-UHFFFAOYSA-N 358.367 4.389 0 40 FIAB Cc1nc(SCC(=O)Nc2ccccc2F)c2c(C)c(C)sc2n1 784677 ZPZKRZDNGDJLRU-UHFFFAOYSA-N 361.467 4.486 0 40 FIAB CC(=O)c1c(C)cc(C)c(CSc2nnnn2-c2ccccc2)c1C 1025118 CVMWRRYJPGYMSG-UHFFFAOYSA-N 352.463 4.082 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CC3)cc2c1 1364871 AIKUFILVORQKFC-UHFFFAOYSA-N 365.408 4.172 0 40 FIAB Cc1ccccc1Nc1nc(N)nc(CSc2ccccc2Cl)n1 3440994 NBNJRSPRTOYDQG-UHFFFAOYSA-N 357.870 4.452 0 40 FIAB CC[C@H](OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 4264069 GUYVJQTTYAHQEU-ZEQRLZLVSA-N 367.533 4.470 0 40 FIAB COc1ccc(-c2c(C)c3ccc(OC(=O)C4CC4)cc3oc2=O)cc1 4340254 MWVBXANSNZSWGX-UHFFFAOYSA-N 350.370 4.092 0 40 FIAB biogenic COc1ccc(-c2c(C)c3cc(OC(=O)C4CC4)ccc3oc2=O)cc1 4340789 FHQJFOMUQXKZNR-UHFFFAOYSA-N 350.370 4.092 0 40 FIAB biogenic CCOC(=O)c1ccc2c(c1)nc(/C=C/c1ccc(OC)cc1)n2CC 4864936 QGOUZNKPCSWIAT-MDWZMJQESA-N 350.418 4.412 0 40 FIAB COc1ccc2oc(=N)c(C(=O)Nc3cc(Cl)ccc3Cl)cc2c1 4949732 KIGTXFUVYODTAB-UHFFFAOYSA-N 363.200 4.480 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Br 5121395 NLPVUFUEFZSPTA-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB COc1ccccc1C(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl 5124244 DARYAIZVDMFIBS-HNNXBMFYSA-N 373.667 4.233 0 40 FIAB C[C@H](OC(=O)c1ccc(C=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 5405474 JZZQBCVZWHWVMW-INIZCTEOSA-N 373.408 4.350 0 40 FIAB CCSc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 5450414 UVXPVEDJGSIYNE-GHMZBOCLSA-N 365.549 4.109 0 40 FIAB CCOC(=O)c1cc(-c2cccnc2)nn1-c1cccc(C(F)(F)F)c1 5783319 GUMPBDJFTQXXIX-UHFFFAOYSA-N 361.323 4.130 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c(C)c1 6057513 ICLXHPGDFDDXET-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB O=C(COCc1nc2ccccc2s1)N[C@@H]1CCCc2ccccc21 6789265 BPTBASLRYLQXEF-MRXNPFEDSA-N 352.459 4.007 0 40 FIAB O=C(NC1CC1)c1ccccc1NC(=O)C1(c2ccc(Cl)cc2)CCC1 6879201 AUEVNOWKXYGSJW-UHFFFAOYSA-N 368.864 4.293 0 40 FIAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCc4ccccc43)ccc21 6881806 DNPVECJXKXLBBV-JOCHJYFZSA-N 369.420 4.344 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1 7505328 BFUMNUXNYYITLB-UHFFFAOYSA-N 359.369 4.295 0 40 FIAB Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2ccc(F)cc12 8012461 AYRGCYDPZISOCM-UHFFFAOYSA-N 366.436 4.406 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)ccc1Cl 8041509 UQYZPPYJLCBUAF-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8103357 LMURGGPEADMDGI-CQSZACIVSA-N 370.449 4.220 0 40 FIAB Cc1ccc(-c2csc3ncnc(S[C@@H]4C[C@H](C)OC4=O)c23)cc1 8271064 JHRCTBRNKRCGBM-SMDDNHRTSA-N 356.472 4.463 0 40 FIAB CC(C)Cn1c(SCC(=O)c2ccc(O)cc2O)nc2ccccc21 8777379 KWPPJAPHFLLOKM-UHFFFAOYSA-N 356.447 4.079 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2ccc(F)cc2)o1 9256047 WNHLDOGMMVDTOU-QGZVFWFLSA-N 368.408 4.246 0 40 FIAB c1ccc(CCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)nc1 10377303 GIHQZFNHUGHDMK-UHFFFAOYSA-N 361.474 4.491 0 40 FIAB C[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 11563697 TVJGOTACGZHFEP-XSXQVXRUSA-N 351.494 4.217 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)CCc3ccccc3)ccc21 11612965 UMXVHEGWIWKUKY-UHFFFAOYSA-N 350.506 4.141 0 40 FIAB Cc1cc(C(F)(F)F)c2c(NCc3ccc4ccccc4n3)n[nH]c2n1 12115917 YEOVGJNSVPTJDJ-UHFFFAOYSA-N 357.339 4.445 0 40 FIAB COc1ccc(Cl)cc1-n1c(S)nnc1Cc1cc(F)cc(F)c1 12324867 JEIMTEBXFPPKSC-UHFFFAOYSA-N 367.808 4.087 0 40 FIAB COC(=O)c1ccc2oc(SCc3ccc4ccccc4n3)nc2c1 12417850 XXSMKUFKWFHASI-UHFFFAOYSA-N 350.399 4.455 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)NCc2ccccc2)cs1 12617773 ONKYCAQWPWKASD-UHFFFAOYSA-N 352.459 4.068 0 40 FIAB CCCCc1ccc(NC(=O)c2ccc(N(CC)S(C)(=O)=O)cc2)cc1 13677411 NSTOAPCTEYMNJL-UHFFFAOYSA-N 374.506 4.067 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(C(F)(F)F)cc1 14250208 PRCRNOLUVUHHGA-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1Cl 16008971 TZZYZAGJHCVNDX-UHFFFAOYSA-N 368.614 4.126 0 40 FIAB COc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1 17076200 FDLQOMQMDJQLJF-UHFFFAOYSA-N 372.384 4.060 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1Oc1ccccc1 18156136 NXLUHHVZNRBXNE-UHFFFAOYSA-N 361.397 4.480 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-n2cccn2)nc1 19910398 AHAPVPGTEWMMFZ-UHFFFAOYSA-N 356.385 4.312 0 40 FIAB CCCc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1CC 20033999 IFMAARMWNONJQF-UHFFFAOYSA-N 363.874 4.246 0 40 FIAB CCc1ccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20143879 QWWMSABLHPZXNV-UHFFFAOYSA-N 368.216 4.272 0 40 FIAB Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c1 20893135 GZSJEDBURRDKKO-UHFFFAOYSA-N 362.477 4.120 0 40 FIAB COc1cccc(CCC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)c1 22008443 CPDQUUDSXLDUNC-FQEVSTJZSA-N 369.461 4.009 0 40 FIAB CCOc1ccccc1NC(=O)NC[C@@H](c1ccsc1)N1CCCC1 22766963 UENNDDZKCMTHOF-KRWDZBQOSA-N 359.495 4.105 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)CCNC(=O)c1ccc(F)cc1F 22844656 DJOPQOFSLUGGFA-UHFFFAOYSA-N 360.404 4.021 0 40 FIAB Fc1cc2ncn(-c3nc(C(F)(F)F)nc4ccccc34)c2cc1F 23887693 DGUHOEMIQZMLKE-UHFFFAOYSA-N 350.250 4.266 0 40 FIAB C[C@H](c1cccs1)N(C)C(=O)CCc1nc(-c2ccc(F)cc2)no1 24236880 HDUTYKZOHDOTBW-GFCCVEGCSA-N 359.426 4.089 0 40 FIAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 24759362 FDNRFEKLMCMSMZ-UKTHLTGXSA-N 371.502 4.348 0 40 FIAB Cc1c(C(=O)Nc2nc3c(s2)CCC3)cnn1-c1cccc(Cl)c1 24862765 HENFUGBFSRSKCV-UHFFFAOYSA-N 358.854 4.032 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)NCCC2=CCCCC2)cc1 25183514 BRQUIXNISGBFNE-UHFFFAOYSA-N 354.450 4.491 0 40 FIAB CCSc1ncc(Br)c(C(=O)Nc2ccc(CC)cc2)n1 27748030 GZZMSLCXBISTGU-UHFFFAOYSA-N 366.284 4.166 0 40 FIAB O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccccc1Br 27915930 RXKMVVHXTKGHHC-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1ccccc1N1CCCC1 28008964 WSINWOFJIKVCGA-BQYQJAHWSA-N 370.836 4.321 0 40 FIAB CCCc1nnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 28248755 NPNJUOUKVYZDPR-UHFFFAOYSA-N 365.524 4.339 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 30364785 SNDOFXTXFNNFDK-LJQANCHMSA-N 366.848 4.130 0 40 FIAB CCN(C(=O)CSc1nnc(-c2cccc(C)c2)o1)c1cccc(C)c1 33004077 FTNSVULCHZVALP-UHFFFAOYSA-N 367.474 4.499 0 40 FIAB Cc1nnc(NC(=O)c2cc3occc3n2Cc2ccccc2Cl)s1 36353524 CVXNRMHMROJUTH-UHFFFAOYSA-N 372.837 4.348 0 40 FIAB Nc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(F)c(Cl)c1 38486693 CSWXWVKVEKMGHB-UHFFFAOYSA-N 371.828 4.433 0 40 FIAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 54136117 SYTAQOXLLBLSEX-GUDVDZBRSA-N 367.420 4.064 0 40 FIAB Cc1cc(NC(=O)CCN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)no1 55102522 FUJKWEFCYFAJOL-NRFANRHFSA-N 367.424 4.172 0 40 FIAB COc1c(Cl)cc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1Cl 57326759 FLMLSAKORLRTFD-UHFFFAOYSA-N 361.188 4.391 0 40 FIAB COc1nc2cc(C)ccc2cc1CN(Cc1sccc1C)C[C@H](C)O 57810261 PIOMBKORSABMEY-INIZCTEOSA-N 370.518 4.305 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)CCn4ccnc4)cc3)sc2c1 72615487 PHNDZDDRJHDOCL-UHFFFAOYSA-N 362.458 4.497 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 78579180 USVOLGDUIXTHEJ-OAHLLOKOSA-N 367.474 4.017 0 40 FIAB O=C(Nc1cccnc1Sc1ccccc1)N1CCC2(CCOCC2)C1 78693513 DEWHGWYQPWYTJU-UHFFFAOYSA-N 369.490 4.267 0 40 FIAB CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1Cl 89694260 PHQMDNRMORAXEQ-QGZVFWFLSA-N 374.868 4.415 0 40 FIAB Cc1ccc(CNCc2ncc(Br)cc2Br)cc1 96009270 NREZHUJAKKMKTF-UHFFFAOYSA-N 370.088 4.205 0 40 FIAB Cc1noc(Cc2ccccc2NC(=O)Cc2cccc3ccccc23)n1 96097048 HGLFDKOYNGTBTB-UHFFFAOYSA-N 357.413 4.303 0 40 FIAB CC(C)c1sc(Cl)nc1C(=O)NCCCc1nc2ccccc2[nH]1 96118639 JNMUFEMIVFYHFK-UHFFFAOYSA-N 362.886 4.159 0 40 FIAB COc1cccc2c1CCCCN2C(=O)CCc1ncc(C(C)(C)C)o1 187571442 GHXLSXFLIZWONO-UHFFFAOYSA-N 356.466 4.283 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC1CCCC1 222727006 YMVQNDTVMSUPLM-NRFANRHFSA-N 359.510 4.188 0 40 FIAB CCc1ccc(CC)c(CNC(=O)C2(c3ccccc3)CCOCC2)c1 222755025 RIHCEHPITJGXMT-UHFFFAOYSA-N 351.490 4.176 0 40 FIAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223333500 WBIGEZBHWVHVBZ-RTBURBONSA-N 366.490 4.230 0 40 FIAB Cc1ccc(CCC(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1C 223652300 GEXCGLMEILEVJB-IBGZPJMESA-N 350.506 4.194 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NS(=O)(=O)c1ccc(F)c(C)c1 225608534 XHSOQQRWOXQRDK-KRWDZBQOSA-N 363.454 4.023 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225619120 IQCUPFJGFGEYCC-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccnc(-c2cccnc2)c1 225640752 TUVPOWUSUZIOBC-UHFFFAOYSA-N 371.362 4.021 0 40 FIAB CCOC(C)(C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225647862 YGLQFVSWJUOHAV-KRWDZBQOSA-N 362.514 4.084 0 40 FIAB COc1ccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)cc1 225847227 WYLPEZLBOANYCI-UHFFFAOYSA-N 356.491 4.460 0 40 FIAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NC4CCCCC4)[C@@H]32)Oc2ccc(Cl)cc21 247848405 FRMVBKFGVPOUJI-WBHLOVLFSA-N 373.880 4.149 0 40 FIAB CC(C)(O)CN1CCc2c(cccc2NCc2ccc3occc3c2)C1 511963253 ZXSBZCBCKQTPIR-UHFFFAOYSA-N 350.462 4.174 0 40 FIAB C[C@@H](c1ccccc1F)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 533487960 WIVDIPWRQXEGPC-HNNXBMFYSA-N 358.432 4.054 0 40 FIAB c1ccc(CN2CCC(Cc3cccc(Nc4nccs4)n3)CC2)nc1 585262550 FANVDUOBJKBCNE-UHFFFAOYSA-N 365.506 4.131 0 40 FIAB O=C(NCc1ccnc(Oc2ccccc2)c1)NCC(C1CC1)C1CC1 608407198 UMXRLJLKYFJAMO-UHFFFAOYSA-N 351.450 4.109 0 40 FIAB CC(C)[C@H]1CN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CCS1 1294156441 JSTMVYLDSLPQQU-QGZVFWFLSA-N 355.463 4.037 0 40 FIAB O=C(NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1)[C@H](O)C1CC1 1556319837 KVJFXCXJYJMPRM-QGZVFWFLSA-N 366.244 4.173 0 40 FIAB Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](C)c4cccc(O)c43)cc2)nn1 1638060433 ZHVSTORDOWLJAC-CQSZACIVSA-N 359.429 4.312 0 40 FIAB Cc1nc(C)c(CN2CCC(COc3ccncc3Cl)CC2)s1 1889104414 QXMPLARIZHNWSJ-UHFFFAOYSA-N 351.903 4.099 0 40 FIAB CCC(=O)Oc1c(C)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1C 975556 HPAOEGVIGIJREW-BOPFTXTBSA-N 367.376 4.102 0 40 FIAB CC[C@H](C)N(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O 1330143 BTDGGWHVSLOURY-AWEZNQCLSA-N 353.393 4.373 0 40 FIAB CCOc1ccccc1NC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(C)C 1369453 HNPUALMQCXXDTF-ROUUACIJSA-N 359.514 4.248 0 40 FIAB Fc1ccc(N2CCN(C(=S)Nc3ccc(Cl)cc3F)CC2)cc1 1454308 NNLKWNBFQPFWOY-UHFFFAOYSA-N 367.852 4.137 0 40 FIAB COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1-c1ccccc1 1718721 DFUBRQBTJOVQFN-UHFFFAOYSA-N 359.381 4.333 0 40 FIAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Nc1ccc(Cl)cc1 2342370 LUIFXXJGKGDRLF-UHFFFAOYSA-N 361.760 4.391 0 40 FIAB O=C(Nc1ncnc2sc3c(c12)CCC3)c1ccccc1Br 2401194 RZLVTYNXDLYGAG-UHFFFAOYSA-N 374.263 4.195 0 40 FIAB Cc1ccccc1C(=O)NCCSc1ncc(-c2ccc(F)cc2)[nH]1 4315649 SOJKKXFPONGSSV-UHFFFAOYSA-N 355.438 4.046 0 40 FIAB COc1ccccc1-c1ccc(SCC(=O)Nc2cccc(F)c2)nn1 4356200 GMJKIESPISTAJH-UHFFFAOYSA-N 369.421 4.022 0 40 FIAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 4468472 GLSUUYVXSNWPDM-QGZVFWFLSA-N 367.207 4.100 0 40 FIAB Cc1cs/c(=N\C(=O)c2ccccc2)n1-c1ccc(Br)cc1 4663384 YQTIAEBCVDMJMA-ZPHPHTNESA-N 373.275 4.351 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(CCc2ccccc2)s1 4696315 ZJTUPVOVPRSKHK-QGZVFWFLSA-N 367.474 4.119 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cc(F)cc(F)c1 4741908 IFWJUSPIGSLSSR-SFHVURJKSA-N 369.371 4.167 0 40 FIAB COc1ccc(Nc2nc(=S)[nH]c3cc(OC)c(OC)cc23)cc1OC 4919072 RWMUAMGKWKNBKR-UHFFFAOYSA-N 373.434 4.070 0 40 FIAB COc1cccc(C2=NN3[C@@H](CCSC)Oc4ccccc4[C@H]3C2)c1 5195459 SCIANXNUFDYGEB-UYAOXDASSA-N 354.475 4.318 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270429 XHDLUMSSMKDOBP-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB COc1ccc(-c2nnc3sc(COc4ccccc4Cl)nn23)cc1 5346145 GQKIWBCRPLDFMF-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cc(C)c(C)cc1Br 5859791 ADKASUQCRNTUAL-UHFFFAOYSA-N 357.317 4.459 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 6304699 IQCNQJXIOWBNAT-OWNQEUAMSA-N 374.521 4.201 0 40 FIAB COC(=O)c1ccc(CSC2=Nc3ccccc3[C@H]3CC=NN23)cc1 6579499 MZOHIKJOMLBPRQ-QGZVFWFLSA-N 351.431 4.140 0 40 FIAB O=C(NC1CC1)c1ccccc1NC(=O)c1cc(Cl)nc2ccccc12 6589617 DWMQDLQBLTZUBW-UHFFFAOYSA-N 365.820 4.033 0 40 FIAB Fc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2Cc2ccccc2)cc1 6602713 ABBLXVWNEDJDEJ-SFHVURJKSA-N 369.465 4.404 0 40 FIAB COc1ccc(/C=C/C(=O)NCCSc2c(F)cccc2Cl)cc1 6642429 IUEMMSNEDJNDBB-JXMROGBWSA-N 365.857 4.409 0 40 FIAB CCn1c(=S)sc2c(=O)n(Cc3ccc(F)cc3Cl)c(C)nc21 6670248 HXWACOGFWPWSFJ-UHFFFAOYSA-N 369.874 4.158 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)NC[C@H](c1ccco1)N1CCCC1 6786229 ZKWQIQKTIYVQMA-MRXNPFEDSA-N 367.276 4.082 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nc(-c2ccccc2F)n[nH]1 6857176 CAEQZPOZTWBKOK-UHFFFAOYSA-N 357.410 4.114 0 40 FIAB COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1Br 6923846 HEPAVQQUSBFMAO-UHFFFAOYSA-N 364.239 4.092 0 40 FIAB COc1cc(/C=C/C(=O)Nc2cccc(Br)c2)cc(OC)c1 7069790 USVLXLLEWUXFQO-VOTSOKGWSA-N 362.223 4.118 0 40 FIAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)n1C)C1CCCCC1 7329673 ITCMKBRCRLSUAI-UHFFFAOYSA-N 372.538 4.144 0 40 FIAB Cc1ccc(OC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 7656922 WWWIQDGYALCNDG-UHFFFAOYSA-N 373.408 4.130 0 40 FIAB Cc1cc(Cl)ccc1OCCCC(=O)NC1CC(C)(C)NC(C)(C)C1 7770971 WORQMGPAEJYPHM-UHFFFAOYSA-N 366.933 4.233 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 7830527 ZHBMAFGFMZFAGZ-LBPRGKRZSA-N 374.893 4.288 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 7928986 VYXOGUARQHALMW-HOTGVXAUSA-N 367.445 4.167 0 40 FIAB COc1ccc2oc(C(=O)OCc3nnc(-c4cccs4)o3)c(C)c2c1 8040194 VHYITPUVDHUEDX-UHFFFAOYSA-N 370.386 4.218 0 40 FIAB COc1ccc(NC(=O)CN(C)Cc2c(F)cccc2Cl)cc1Cl 8064940 UHDZCKRMFLYXGJ-UHFFFAOYSA-N 371.239 4.212 0 40 FIAB COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 8535075 FEPWRAFNAHUJLC-GFCCVEGCSA-N 370.276 4.051 0 40 FIAB CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(C(=O)OC)cc2)c(O)c1 8996485 FFUPVGUHAQGNMZ-UHFFFAOYSA-N 368.389 4.068 0 40 FIAB Cc1ccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 9062587 AFNQSRJUDZNWJF-UHFFFAOYSA-N 364.533 4.264 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c(OC)c1 9156114 HAVYJWZKFYZIPS-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3ccc(F)cc3s2)no1 9206863 ONBOVOGOHAVNDX-UHFFFAOYSA-N 357.366 4.172 0 40 FIAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9996092 ZXSIIDNISNEMNI-QGZVFWFLSA-N 352.459 4.211 0 40 FIAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccccc1)OCCO3 10368072 LDFBWDOPQJFHPX-INIZCTEOSA-N 363.457 4.487 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)CSc3ncccc3Cl)c2C)no1 11247579 GEXFCQZHRKLLRA-UHFFFAOYSA-N 361.854 4.414 0 40 FIAB O=C(Cc1noc2ccccc12)OCc1ccc(F)cc1Br 11249414 TXBSZWKHBPTBLP-UHFFFAOYSA-N 364.170 4.015 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCCCCOc1ccc(F)cc1 12392732 YZSQDZOFGTVVCZ-UHFFFAOYSA-N 367.420 4.333 0 40 FIAB Cc1c(Cl)cccc1Nc1nnc(S[C@H]2C[C@@H](C)OC2=O)s1 12585191 ZSEUMVHTKQMOFF-HQJQHLMTSA-N 355.872 4.040 0 40 FIAB Cc1ccc(-c2nn(C[C@@H](O)c3ccccc3)c(=O)c3ccccc23)cc1 12788210 UCMABOPGFVKRKX-OAQYLSRUSA-N 356.425 4.106 0 40 FIAB CCOc1ncccc1C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 12904557 RNRVAUMWKRFAAK-UHFFFAOYSA-N 353.447 4.088 0 40 FIAB Cc1ccc([C@H](C)C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 13227006 BYEJVGKORIPNKW-KKSFZXQISA-N 372.472 4.144 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)ccc1Cl 13710738 HJFWXIBRTBPOND-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB COc1ccc(OCCC(=O)Nc2ccc(Br)cc2C)cc1 14094828 GEIXCGUMHQEHRX-UHFFFAOYSA-N 364.239 4.174 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@@H](C)c3cccs3)o2)c1 14136015 ISGKDYSIQAQPLZ-ZDUSSCGKSA-N 373.503 4.384 0 40 FIAB O=C([C@H]1Cc2ccccc2O1)N1CCC[C@H](c2nc3ccccc3s2)C1 14230409 NDIWEFYHOVBTPE-MAUKXSAKSA-N 364.470 4.006 0 40 FIAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 15646842 DAVLRHPMCYKSFE-QGZVFWFLSA-N 368.458 4.291 0 40 FIAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(Cl)c(C(F)(F)F)c1 16129636 DJEJAFAGDVOVFJ-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB O=C(c1ccccc1)c1ccc(OC(=O)c2cc(O)nc3ccccc23)cc1 16157866 HCWVYZIYTQDVKO-UHFFFAOYSA-N 369.376 4.391 0 40 FIAB CC(C)c1ccc(OCc2nn3c(=O)c4ccccc4nc3s2)cc1 17072914 LNQUONXOFLWNQT-UHFFFAOYSA-N 351.431 4.007 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc(OC(C)C)c1 20141586 MMYZBTBNEDMCOS-UHFFFAOYSA-N 363.797 4.086 0 40 FIAB CC(C)(C)c1noc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)n1 23950143 IRRGBWANOJDSIR-UHFFFAOYSA-N 354.381 4.316 0 40 FIAB O=C(CCc1ccc2ccccc2n1)OCC(=O)c1ccc2c(c1)CCCC2 24194234 CZQPVZGRBQCSEE-UHFFFAOYSA-N 373.452 4.472 0 40 FIAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc2[nH]nnc2c1 24782819 XKYIXGBAHCARQD-UHFFFAOYSA-N 371.425 4.487 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)s1 24899962 HINBRCXTVWRQGA-ZHACJKMWSA-N 363.442 4.356 0 40 FIAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)C1CC1 28228949 LBUMLAGAKKVMAM-UHFFFAOYSA-N 354.237 4.192 0 40 FIAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(C(F)(F)F)c1 30555723 FDQCXOXJVOUFKV-UHFFFAOYSA-N 362.395 4.231 0 40 FIAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@H]1c1ccncc1 30577697 DMZOPOKOXIGRQR-SFHVURJKSA-N 363.486 4.415 0 40 FIAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 30652604 ALWZCWKSKGKFDA-WIAZPKGDSA-N 360.432 4.215 0 40 FIAB CC(=O)N(C)Cc1cccc(NC(=O)c2csc3c2CC[C@H](C)C3)c1 31370156 MRPWLXUSOVAIGT-ZDUSSCGKSA-N 356.491 4.104 0 40 FIAB COc1cc(OC)c(NC(=O)COc2ccc(F)cc2Cl)cc1Cl 32520139 REOBCEDWMVBAHC-UHFFFAOYSA-N 374.195 4.167 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1OC 32754901 USVCYDJJEDZAJV-UHFFFAOYSA-N 369.442 4.172 0 40 FIAB CC(C)N(C(=O)CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C(C)C 32932783 HBLOQCMPYSSBJD-UHFFFAOYSA-N 357.473 4.042 0 40 FIAB Clc1cc2nc(Br)c(Br)nc2cc1Cl 34552306 OWBJCMPWZNHXDJ-UHFFFAOYSA-N 356.832 4.462 0 40 FIAB O=C(Nc1cc2c(cc1Br)OCCO2)NC1CCCCCC1 40023766 MQIOJDBCGURUFI-UHFFFAOYSA-N 369.259 4.065 0 40 FIAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 43728706 YGAFKNAOFYSLII-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB Cc1cc2nnc(SC[C@H](O)c3cccc(F)c3)n2c2ccccc12 51227048 FFYQHBVFPMLLGD-KRWDZBQOSA-N 353.422 4.156 0 40 FIAB Cc1cc(NC(=O)Nc2ccc(N3CCCCC3)c3ccncc23)no1 54951389 HNDPAMZLXNZVIA-UHFFFAOYSA-N 351.410 4.166 0 40 FIAB O=C(NCc1ccc(F)cc1Cl)c1cc(-c2cccc(Cl)c2)[nH]n1 57413710 ZUDZVHPVKSDANW-UHFFFAOYSA-N 364.207 4.453 0 40 FIAB Cc1c(C(=O)Nc2ccccc2NCC(F)(F)F)[nH]c2c1C(=O)CCC2 58195572 VVXDSZFSYPLHPT-UHFFFAOYSA-N 365.355 4.069 0 40 FIAB CC(C)(C)c1nc(-c2ccc(NC(=O)N3CCCSCC3)cc2)no1 65475169 TWTDZAUBNHEIJQ-UHFFFAOYSA-N 360.483 4.005 0 40 FIAB O=C(CCCc1ccc(Cl)c(Cl)c1)N1CCCN2CCC[C@H]2C1 65565259 VXJZMYYHXCDGFC-HNNXBMFYSA-N 355.309 4.013 0 40 FIAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccco1)c1ccccc1F 84678366 AVJYSVBYARMUFI-VBKZILBWSA-N 367.376 4.180 0 40 FIAB CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2ccc(F)cc2)cc1F 84789074 QWYRNSACJKKVEC-MOPGFXCFSA-N 370.443 4.331 0 40 FIAB O=C(c1ccco1)c1ccc(CNC(=O)c2c(F)cccc2Cl)s1 96119789 ROYJBUHMCCEAJU-UHFFFAOYSA-N 363.797 4.295 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)c1 100425441 WUXXEHVTGARFEV-OALUTQOASA-N 369.534 4.460 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2F)cc1 216283861 GGPRKDTZBVGUTI-IBGZPJMESA-N 365.470 4.041 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(Cl)cc1 224450865 XKYJOQRPJSNPEY-LJQANCHMSA-N 361.869 4.309 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(F)cc1 224903433 RGXTUJBGGVAIHO-SFHVURJKSA-N 357.425 4.186 0 40 FIAB CCCCOc1ccc(NC(=O)C(C)(C)OCCC)cc1C(=O)OCC 225837617 YXIUJPYEKXKJOE-UHFFFAOYSA-N 365.470 4.186 0 40 FIAB CCc1ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)o3)ccc2OC)cc1 226356139 NNQCAMUAXTZNNR-UHFFFAOYSA-N 365.385 4.468 0 40 FIAB CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 254379779 XAPSNYLSUGRKQO-UUGMPZBJSA-N 373.537 4.386 0 40 FIAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(C2CCCC2)C1 257200095 ABYQQQSEZURJBS-AWEZNQCLSA-N 357.523 4.120 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2ccoc2)nc1 390831163 QEXPMSPMTAHADK-UHFFFAOYSA-N 370.836 4.469 0 40 FIAB O=C(CCc1ccc(Cl)cc1)Nc1cnc(-c2cccc(O)c2)nc1 503117843 IXFGQVKVZHFEGJ-UHFFFAOYSA-N 353.809 4.074 0 40 FIAB CCOc1ccc(F)c(NC(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c1F 562861394 SPQBZJPKQHXEKE-KRWDZBQOSA-N 361.392 4.374 0 40 FIAB COCc1cc(-c2nc(C3(c4c(F)cccc4F)CCCC3)no2)no1 574440666 WQVMZFYWISJHAQ-UHFFFAOYSA-N 361.348 4.009 0 40 FIAB CC(C)c1csc([C@H]2CCCN([C@@H](C(=O)O)c3ccsc3)C2)n1 582850695 CJGLRLPKGONJEN-SWLSCSKDSA-N 350.509 4.333 0 40 FIAB Cc1cc(CNCc2nccc(C(F)F)n2)ccc1Oc1cccnc1 585083626 RWACQQWUMZEAQX-UHFFFAOYSA-N 356.376 4.200 0 40 FIAB O=C(CCc1ccc2c(c1)CCO2)N(Cc1ccc(F)cc1F)C1CC1 1116245574 LHHDUDVXNPVSNZ-UHFFFAOYSA-N 357.400 4.024 0 40 FIAB CN(CC1CCN(C(=O)CC(C)(C)C)CC1)c1cc(C(F)(F)F)ccn1 1888843781 OWUKWYQCTMOHIW-UHFFFAOYSA-N 371.447 4.211 0 40 FIAB Cc1cc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c2ccccc2n1 2621917 DHMYICOCHYXMKV-UHFFFAOYSA-N 371.339 4.184 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)c1ccc(COCC(F)(F)F)cc1 46674770 UFXMWPAELMOUHB-UHFFFAOYSA-N 366.383 4.392 0 40 FIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(N(C)C)cc1 953669 AEVPJSPVHQZESH-UHFFFAOYSA-N 365.433 4.230 0 40 FIAB Cc1nc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccccc1 1378906 JIVOUFQCAKZGIZ-UHFFFAOYSA-N 355.394 4.095 0 40 FIAB CC1(C)N(O[C@@H]2CCCCO2)[C@@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] 1650755 GAMOJAJDLUVODK-CTNGQTDRSA-N 366.461 4.237 0 40 FIAB CCCCNC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2074529 NLVRFVXIZPRYIO-UHFFFAOYSA-N 369.412 4.171 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)C(C)(C)C 79025002 BQYCPGGXDFNFHG-RHSMWYFYSA-N 358.507 4.078 0 40 FIAB COc1cc2c(cc1NC(=O)CSc1nccn1C)oc1ccccc12 3253918 LTXMGNXGCIKSGK-UHFFFAOYSA-N 367.430 4.059 0 40 FIAB COc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1 6570917 BMLJJECMLKBLCI-UHFFFAOYSA-N 359.223 4.051 0 40 FIAB CN(C)Cc1ccc(CNCc2ccc(-n3cnc4ccccc43)cc2)cc1 8025004 NNULUKWEZNKOBA-UHFFFAOYSA-N 370.500 4.377 0 40 FIAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccccc1 8195918 XSZWEXUNPMYUQT-GFCCVEGCSA-N 373.865 4.360 0 40 FIAB Cn1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c2ccccc21 23788037 YIWXFISHKKNUOU-UHFFFAOYSA-N 359.429 4.339 0 40 FIAB Nc1c(Cl)cc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1Cl 54652472 XMBMSDYLEPIHQD-AWEZNQCLSA-N 350.205 4.032 0 40 FIAB C[C@@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 105634756 GPAQCAYSFDMSNQ-WMEZAQDKSA-N 354.519 4.217 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1ccccn1)CC2 24527885 YUHITFBGTPCOJE-NRFANRHFSA-N 366.486 4.308 0 40 FIAB CCC(CC)c1nnc(NC(=O)Cc2csc(-c3ccco3)n2)s1 24625842 IUIPJNLCSVLLGM-UHFFFAOYSA-N 362.480 4.339 0 40 FIAB O=C(CSc1nccn1-c1cccc(F)c1)NC1CCCCCCC1 24867911 NJTUEAAVDVFAMA-UHFFFAOYSA-N 361.486 4.333 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 24968603 OPDGFLXEFWKFMO-FOIQADDNSA-N 361.445 4.018 0 40 FIAB Cc1ccc2c(c1)S[C@@H](C(=O)N[C@H](C)c1ccc(-n3ccnc3)cc1)C2 12550361 TXNDKEWOBFZYFT-FOIQADDNSA-N 363.486 4.075 0 40 FIAB Cn1cc(NC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1 25305992 QHEBMJFBQHFCNF-NSCUHMNNSA-N 363.261 4.110 0 40 FIAB Nc1nc(CN(Cc2c(F)cccc2Cl)C2CC2)nc2ccccc12 12533688 SLKHSKYNHXPHAH-UHFFFAOYSA-N 356.832 4.169 0 40 FIAB C[C@H](NC(=S)NC1CCCCC1)[C@H](c1cccs1)N1CCCC1 3211455 LDSSHFVKURPSKD-WMLDXEAASA-N 351.585 4.070 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 27402720 GRKYXROQZWEIDT-UHFFFAOYSA-N 367.445 4.357 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H]1CCCc2ccccc21 3387789 FVFUCBKLTJVLPA-OAQYLSRUSA-N 359.473 4.356 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 3314960 UJSPKZKPQMPUFV-INIZCTEOSA-N 370.518 4.333 0 40 FIAB COc1cccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)c1 10311677 FTEFMYQBEOZQQY-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 12780173 RAYBBDCONAOBQI-SFHVURJKSA-N 374.440 4.036 0 40 FIAB O=C(CSc1ccc(F)cc1)Nc1ccc(Oc2cnccn2)cc1 36396890 WTECTSPBZUXOSK-UHFFFAOYSA-N 355.394 4.139 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2C)c(C)c1 2387816 UGRRIBCWCKOKMQ-UHFFFAOYSA-N 372.519 4.200 0 40 FIAB CS(=O)(=O)Nc1ccc(C(=O)c2cc3c(ccc4ccccc43)o2)cc1 28753647 IOTPVYNDDHWPJO-UHFFFAOYSA-N 365.410 4.189 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N2c3ccccc3C[C@H]2C)c1 36697917 HDNRMVUNAISMCQ-CQSZACIVSA-N 362.429 4.462 0 40 FIAB Brc1ccccc1-c1nnc(SCCc2ccccn2)o1 11681214 FNCVMSICHSZXIY-UHFFFAOYSA-N 362.252 4.229 0 40 FIAB O=C(Nc1ccccc1Cn1cccn1)N1CCC[C@@H]1c1ccsc1 46007562 FKEFBLTYQKDMAK-GOSISDBHSA-N 352.463 4.362 0 40 FIAB CSc1cccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)c1 12849496 WIHAOMVMNVYSNT-IBGZPJMESA-N 352.459 4.311 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(OC)ccc1OC 12811731 BDFPWGYDLIJRNO-JZLODUJNSA-N 357.475 4.315 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc(Cl)cc1 13152732 NFZGAICDILYENF-PKOBYXMFSA-N 355.869 4.488 0 40 FIAB COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(OC)cc2)cc1 8917684 RNPDQKYIYMGROZ-UHFFFAOYSA-N 351.402 4.139 0 40 FIAB COc1ccccc1OC(=O)c1sc(COc2ccc(F)cc2)nc1C 23391898 FQSWWPYTNRBHPT-UHFFFAOYSA-N 373.405 4.397 0 40 FIAB COc1ccccc1-c1nc(CC(=O)NCc2ccccc2Cl)c(C)o1 62076539 USSJUEXYNOMIKO-UHFFFAOYSA-N 370.836 4.171 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2Cc2ccccc2)cc1 6305881 DYYFPWOFRAOWPW-UHFFFAOYSA-N 359.425 4.498 0 40 FIAB COc1ccc([C@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 14929585 KJFQIAUVCHHYBP-ORAYPTAESA-N 360.404 4.138 0 40 FIAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@H](c1ccc(OCC)cc1)C2 4912231 DHPWNGPZCNWFSL-OAHLLOKOSA-N 369.461 4.455 0 40 FIAB CCc1ccc2c(COC(=O)[C@@H](C)Oc3ccc(F)cc3)cc(=O)oc2c1 7233126 SYYPOBBNAVJRDY-CYBMUJFWSA-N 370.376 4.005 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)c1cc(Br)ccc1Cl 7214864 DWCUXVXLQMSAQL-AWEZNQCLSA-N 366.642 4.356 0 40 FIAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(Cl)s1 7359805 AJCBZQPJWMVTNK-UHFFFAOYSA-N 363.914 4.072 0 40 FIAB Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)C(C)C)CC2)cc1 72260010 MQDQEOTYSYNVOD-QFIPXVFZSA-N 350.506 4.193 0 40 FIAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2ccccc2)o1 7610225 FYPUQGLAQOBTAT-UHFFFAOYSA-N 360.822 4.374 0 40 FIAB CC(C)CCC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 7783212 KJCDTPMAKSQHGF-HOTGVXAUSA-N 366.527 4.013 0 40 FIAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(-c2ccccc2)cc1 7854177 UOTCWHQVFQPZHD-QFIPXVFZSA-N 359.473 4.468 0 40 FIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)[C@H]1COc2ccccc2C1 16709851 CQBYJFSFOQUTKH-CJNGLKHVSA-N 359.878 4.244 0 40 FIAB CCN(CC)CCOC1CCN(Cc2ccc(Cl)cc2Cl)CC1 72305614 VELAYUPYUZNUOP-UHFFFAOYSA-N 359.341 4.316 0 40 FIAB CCCc1nc2ccc(NC(=O)Cc3cc(OC)ccc3OC)cc2s1 22254981 LAKLDNJOADXPBR-UHFFFAOYSA-N 370.474 4.447 0 40 FIAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 408669762 RYGLFLIHPZHSRA-INIZCTEOSA-N 351.446 4.333 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1c(C)cc(C)cc1C)cn2C 22237364 HRSFADKPCHHIGF-UHFFFAOYSA-N 364.445 4.115 0 40 FIAB COc1ccc(CC(=O)Oc2ccc(NC(=O)c3cccs3)cc2)cc1 27385685 IDMKPHATCOCQJJ-UHFFFAOYSA-N 367.426 4.157 0 40 FIAB Cc1csc(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2)n1 506114722 UJYKKYDHKSDZBE-UHFFFAOYSA-N 350.403 4.354 0 40 FIAB CC(C)c1noc(-c2ccc(NC(=O)C3=Cc4ccccc4OC3)cc2)n1 523243624 YDNSJELGTBBOSD-UHFFFAOYSA-N 361.401 4.275 0 40 FIAB Fc1cccc(Cc2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)c1 72350098 QSJBIRLDVRRXAX-GOSISDBHSA-N 354.469 4.170 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c(OC)cc1Cl 31692614 UGAZZMYVHJNBTH-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB CCCOc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 218981428 YWCWOGVMNFJEHW-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB CC(C)COC1CCN([C@@H](C(=O)O)c2ccc(Cl)c(Cl)c2)CC1 568059504 CFZOHGPHLGFXJA-MRXNPFEDSA-N 360.281 4.256 0 40 FIAB CCN(CC)c1ccc(N)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 226260270 YHPZKEUTWDMYFV-UHFFFAOYSA-N 369.509 4.430 0 40 FIAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 224322615 MHPQQNDVCMADQR-UHFFFAOYSA-N 373.865 4.357 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225739894 XGESMFSBNNJOMD-CQSZACIVSA-N 369.371 4.198 0 40 FIAB COc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 40485929 QMORHEOMWDMUOM-NRFANRHFSA-N 372.424 4.143 0 40 FIAB Cc1ccc(N(C)S(=O)(=O)c2ccc(Br)cc2)cc1Cl 224731882 SYYAJRLWVWZZIV-UHFFFAOYSA-N 374.687 4.236 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C)cc1C 225717090 FVPIBLPADZMVLP-IBGZPJMESA-N 369.534 4.443 0 40 FIAB O=C(NCCOCc1ccccc1)c1ccccc1OCc1ccccc1 224274242 PZRSWHHYAZHWSS-UHFFFAOYSA-N 361.441 4.212 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3CCC(C)CC3)nc2)cc1 223943822 YKOCMOQOEWHJCC-UHFFFAOYSA-N 354.523 4.113 0 40 FIAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccc(C)o2)CC3)c1 96047244 YDYNNWPFYSQETD-UHFFFAOYSA-N 368.521 4.475 0 40 FIAB COC(=O)c1cc(C)cc(NC(=O)N2CCC[C@H](c3ccccc3)C2)c1 1673297888 XIJPJSXPZYPIKK-KRWDZBQOSA-N 352.434 4.193 0 40 FIAB Fc1ccc([C@@H]2CN(c3nc4ccc(F)cc4o3)CCO2)c(Cl)c1 1307099113 SHQAEJHRSFOOLH-INIZCTEOSA-N 350.752 4.337 0 40 FIAB Cc1ccccc1OCCCSc1nc(-c2ccccc2)cc(=O)[nH]1 113929066 RRQIJLODVBFKJI-UHFFFAOYSA-N 352.459 4.307 0 40 FIAB O=C(NCCNc1ncc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 58980808 PVASGIUQAIPRPK-UHFFFAOYSA-N 368.308 4.133 0 40 FIAB COC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCCC2 5719948 YCAYRLCVKDLAOC-UHFFFAOYSA-N 364.467 4.362 0 40 FIAB CCCn1c(CN(Cc2sccc2C)C[C@@H](C)O)nc2ccccc21 12147040 IMCBPMCODOTUOV-MRXNPFEDSA-N 357.523 4.199 0 40 FIAB CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C3CC3)cc2)n1 12220517 VZNWFRJOGGHDNS-UHFFFAOYSA-N 372.472 4.355 0 40 FIAB c1coc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccncc2)c1 12338391 UOWKKATZPUJABB-UHFFFAOYSA-N 372.384 4.139 0 40 FIAB Cc1cccc(C2(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)CCC2)c1 12934476 WEQCSUCZLVXVFR-UHFFFAOYSA-N 362.473 4.291 0 40 FIAB Cc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5[nH]4)c3C2)cc1 19817361 ZBBHNFIYRMVKTL-INIZCTEOSA-N 356.429 4.278 0 40 FIAB Cc1nc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c2c(C)c(C)sc2n1 4799458 IKXMQHDZAFPDIS-QWRGUYRKSA-N 363.552 4.213 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)Nc3ccccc3Cl)cc2)cn1 1889273382 IIUHRARFKMVOMI-UHFFFAOYSA-N 354.841 4.105 0 40 FIAB CC1(C)C[C@@H]2CN(Cc3ccc(F)cn3)CC[C@@H]2N1c1ccc(F)cc1 2037989167 YCOGCHDSUDVNEB-QRWLVFNGSA-N 357.448 4.239 0 40 FIAB O=C(c1cc2cc(F)ccc2s1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565520531 YAWGEJSLULMWLA-GJZGRUSLSA-N 355.438 4.245 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1ccc(Cl)cc1 855164 QCDWNGQQOCYQQG-GOSISDBHSA-N 371.845 4.334 0 40 FIAB CCOc1ccccc1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 4033188 OCPFPYJVXUSXGP-UHFFFAOYSA-N 372.428 4.356 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1cccs1 4854599 JDASEERZNVSYQV-KRWDZBQOSA-N 359.401 4.465 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 5441756 CBZLETMQQIZMTE-UHFFFAOYSA-N 372.852 4.426 0 40 FIAB COc1ccc(NC(=O)c2ccccc2Cl)cc1N1CCCCC1=O 5441874 JOQSXGVPUMQVLN-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccccc3)ccc1O2 9134899 YFXZHWHXXQNPSG-UHFFFAOYSA-N 374.396 4.371 0 40 FIAB c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)nc1 13036183 RPADLWXOSKURJV-PGRDOPGGSA-N 371.396 4.053 0 40 FIAB COc1ccc([C@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)cc1 15109964 XRPMWFQNQPSSGX-OAHLLOKOSA-N 351.431 4.369 0 40 FIAB COC(=O)c1ccc(C(=O)N2CCS[C@H](c3ccccc3C)CC2)cc1 207003072 BDLYSHPPNVHCCX-IBGZPJMESA-N 369.486 4.102 0 40 FIAB Cc1c(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)oc2c(F)cccc12 31733779 HTCPDLMUSCXXJA-UHFFFAOYSA-N 374.799 4.488 0 40 FIAB O=C(CSc1nc(CCC2CCCC2)n[nH]1)c1ccc(F)cc1F 31797400 FQZMMHQNFVHGDY-UHFFFAOYSA-N 351.422 4.181 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)n1 32578682 RICHUOCXIVFEJY-UHFFFAOYSA-N 373.359 4.156 0 40 FIAB C[C@@H](C(=O)N1CCCCCC1)N1CCC(c2nc3ccccc3s2)CC1 8533050 JCHIQTKGYNXCAB-INIZCTEOSA-N 371.550 4.267 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1OCC(C)C 2653791 IKORRCQHDYKPKM-UHFFFAOYSA-N 356.466 4.438 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1cccnc1OC1CCCC1 46688686 PRINMYJNLGRSTC-HNNXBMFYSA-N 356.491 4.200 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3ccccc3)n2)cc(C)c1Cl 21800354 HLRQEKHCWUXXNS-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnc(C)nc2-c2ccc(Cl)cc2)cc1 2389181 BZAIAAQAVXCJPU-UHFFFAOYSA-N 362.824 4.057 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1F 2620418 CBMNJGMQFPTNIG-UHFFFAOYSA-N 350.123 4.428 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2c2c1CCCC2)N1CCCC1 4968360 VKIOBXYKTLLTNT-UHFFFAOYSA-N 360.910 4.482 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccccc1C 6243072 YCHOJNYNZFWRDA-CQSZACIVSA-N 356.491 4.401 0 40 FIAB O=C(Nc1ccccc1Br)c1c(F)c(F)c(F)c(F)c1F 6336852 FUBUHIBQHQCYBE-UHFFFAOYSA-N 366.083 4.397 0 40 FIAB COCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1 12296556 AEGVREWBQWILDB-UHFFFAOYSA-N 351.402 4.168 0 40 FIAB biogenic COc1ccc([C@H]2CCCCCN2C(=O)N[C@H](C)c2cnn(C)c2C)cc1 47007087 HCPJRTLQQLPULO-FOIQADDNSA-N 370.497 4.125 0 40 FIAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 8049836 LJXJPJLOVOHDIS-UHFFFAOYSA-N 369.870 4.281 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1F 8495082 HNAOPKUKORORCA-SFHVURJKSA-N 372.440 4.152 0 40 FIAB CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2 784067 BJXOBCWSRQOCNX-XMMPIXPASA-N 371.436 4.329 0 40 FIAB O=C1/C(=C\c2cccs2)N=C(c2cccs2)N1Nc1ccccc1 851280 VTBVJCRDJRPHLQ-NTCAYCPXSA-N 351.456 4.467 0 40 FIAB aggregator CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102123969 TXZJCTHXXPCYDM-CXTNEJHOSA-N 374.550 4.373 0 40 FIAB CCOCCCN1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 12442675 LJXKJIFVAQXRKU-UHFFFAOYSA-N 365.429 4.039 0 40 FIAB biogenic Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 9198026 KVQYCJXNAJIXAB-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccccc3Cl)o2)N1 12539202 ACFIMXLNRRQQFB-QGZVFWFLSA-N 363.808 4.046 0 40 FIAB Cc1noc(C)c1CN(C)c1nc2c(Cl)c(C)nn2c2ccccc12 24658958 PFYPOMIZCXJTJM-UHFFFAOYSA-N 355.829 4.086 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(F)cc4)c(=O)c23)C1 1321098 QVGPRPWIHWKUFL-ZDUSSCGKSA-N 371.481 4.191 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1ccncc1 25079654 OYDMWFHSBJUXEW-OAHLLOKOSA-N 354.413 4.183 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C)C[C@H]1c1ccccc1 108976968 XDBXOPBQVMVUPU-KXBFYZLASA-N 374.937 4.336 0 40 FIAB COC(OC)[C@]1(C)Nc2ccccc2C(=O)N1c1ccccc1C(C)C 1422677 CRLPSXKNCBPZOS-OAQYLSRUSA-N 354.450 4.217 0 40 FIAB O=C(COC(=O)CCC1CCCCC1)Nc1ccc(Br)cc1 3291172 HZPWDSNLVZOLGT-UHFFFAOYSA-N 368.271 4.291 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1C 51364422 ZHJFKLSWXJGAIL-IBGZPJMESA-N 358.441 4.462 0 40 FIAB CCO/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 3220814 MNKBUXYWTDGDDQ-WJDWOHSUSA-N 361.319 4.270 0 40 FIAB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1cccc2[nH]ccc12 72310062 DHPAOKANTDPBBU-FQEVSTJZSA-N 367.880 4.388 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12601976 MUGYVKTWWSGKJN-LJQANCHMSA-N 361.445 4.198 0 40 FIAB CCN(C(=O)COC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 57530872 SURSPROWYUBSKK-UHFFFAOYSA-N 352.217 4.203 0 40 FIAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 57994599 JCVNYGADAGEOMA-UHFFFAOYSA-N 368.443 4.366 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 10196596 NAVMPBMONNNKOS-UHFFFAOYSA-N 368.458 4.325 0 40 FIAB Cc1cccc(C(C)(C)CNC(=O)CCc2nnc(-c3ccsc3)o2)c1 58180874 IVBTWVXKSBYQJF-UHFFFAOYSA-N 369.490 4.133 0 40 FIAB C[C@H](NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 3312425 MUZICRWAGMBIPK-INIZCTEOSA-N 369.436 4.058 0 40 FIAB COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 2181309 IKYXHNFGPGGUQK-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccn1 27822930 RAJLUSJGSZJLOZ-UHFFFAOYSA-N 368.886 4.413 0 40 FIAB CCCOc1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1 20141724 LTEGSENBHDRHOW-UHFFFAOYSA-N 363.797 4.088 0 40 FIAB O=C(Nc1cccnc1N1CCSCC1)c1cc2c(s1)CCCCC2 58417109 GCSUBZZBTCJJNH-UHFFFAOYSA-N 373.547 4.218 0 40 FIAB O=C([C@@H]1C[C@@H]1c1cccc(Br)c1)N1CCC[C@@H]1c1ccncc1 58403456 BJBIWSLYNPUFDD-KZNAEPCWSA-N 371.278 4.311 0 40 FIAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@H](C)c2ccccc2)c1 48345086 GEDQQKQTTUBOPF-IRXDYDNUSA-N 352.478 4.025 0 40 FIAB Cc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn23)cc1 2425649 NVIZYXRKXKKXEH-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB C[C@H]1SC(=N)N(c2ncc(Cc3cccc(Cl)c3Cl)s2)C1=O 11689756 MPBYJZLMTHNFOO-SSDOTTSWSA-N 372.302 4.444 0 40 FIAB O=C(CSc1nc(C2CCCC2)n[nH]1)Nc1c(Cl)cccc1Cl 8735373 KPORBFURBFKCRR-UHFFFAOYSA-N 371.293 4.500 0 40 FIAB COc1cc(NC(=O)CSc2nc3ccccc3s2)cc(OC)c1 3602841 HCBDVBMDFJVVOL-UHFFFAOYSA-N 360.460 4.044 0 40 FIAB O=C(CN1CC=C(c2c[nH]c3ccccc23)CC1)Nc1ccc(F)c(F)c1 13019461 JLALBSIFQAVMDO-UHFFFAOYSA-N 367.399 4.174 0 40 FIAB S=C(Nc1ccccc1Cl)N1CCCC[C@@H]1CCN1CCCC1 13692824 PAMCBECJVPIRPN-OAHLLOKOSA-N 351.947 4.377 0 40 FIAB c1ccc(-c2cc3c(NCCc4nnc5ccccn45)ncnc3s2)cc1 14180871 APYHBDKAJOQFFH-UHFFFAOYSA-N 372.457 4.056 0 40 FIAB COc1ccc(-c2nnc(COc3cccc4c3OC(C)(C)C4)o2)cc1 14237617 NCWCMVRAKLZYCM-UHFFFAOYSA-N 352.390 4.038 0 40 FIAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(NCc3ccco3)ncc21 5478601 JHVQLWVNBVTRAZ-ZDUSSCGKSA-N 353.809 4.248 0 40 FIAB COc1cccc(-c2cnc(NCc3ccc(Br)cc3)n2C)c1 4678683 CMNIISGZTJDZPN-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N4CCCCC4)c(C)c3cc12 4743934 NXAHPKGWMHMHFW-UHFFFAOYSA-N 353.418 4.019 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 5701342 JUPCYCWUGNWMKI-LJQANCHMSA-N 364.426 4.244 0 40 FIAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2)c1 6886880 JEJXOBOYXHXWLH-UHFFFAOYSA-N 364.367 4.033 0 40 FIAB COc1ccc(C(=O)COC(=O)CCc2ccc(-c3ccccc3)o2)cc1 7293332 DRLLWQQOJBDPDS-UHFFFAOYSA-N 364.397 4.314 0 40 FIAB C[C@@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(-n2ccnc2)cc1 9156592 HVLKXFYBTZZNEN-CYBMUJFWSA-N 357.816 4.085 0 40 FIAB C[C@@H](NC(=O)Nc1cccc2cnccc12)c1cccc(N2CCCC2=O)c1 68652714 CKKHWFMTKWNQHD-OAHLLOKOSA-N 374.444 4.244 0 40 FIAB Cc1cc(-c2ccccc2)nc(S[C@H](C)C(=O)N2CCCCCC2)n1 8327872 NQBBLZUTVUMGEC-MRXNPFEDSA-N 355.507 4.335 0 40 FIAB O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCc2ccc(F)cc21 84498010 TYDGOXOPZIQBBR-INIZCTEOSA-N 357.450 4.300 0 40 FIAB O=C1C[C@@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c2ccccc2N1 95348612 JZDWSGPCOVPOFQ-CQSZACIVSA-N 372.827 4.096 0 40 FIAB COc1ccc(-c2nc(O)c3c(C)c(C)sc3n2)cc1Br 408733818 AKIPGFJNFWQULF-UHFFFAOYSA-N 365.252 4.452 0 40 FIAB CC(C)[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 25159061 UJEXSPJRLHSVLN-HXUWFJFHSA-N 351.425 4.198 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)ccc1Cl 408678087 FHJNXVGNLBJNDI-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC[C@H]1CC 30755121 HTGICZVNLJPYDU-WOJBJXKFSA-N 360.542 4.232 0 40 FIAB CCn1nccc1[C@H](C)Nc1nc(-c2cccc(OC)c2)cc(C(F)F)n1 36614119 UYKNJPURTLGLHC-LBPRGKRZSA-N 373.407 4.479 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219294335 ZRWCHHYDCMNHOX-YJBOKZPZSA-N 353.462 4.435 0 40 FIAB O=C(CCc1ccccc1)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610014 SYCHEUPNTVMCEL-UHFFFAOYSA-N 357.816 4.295 0 40 FIAB CC[C@@H](C(=O)OC)c1ccc(C2CN(C(=O)OCc3ccccc3)C2)cc1 2362804675 HQVOZNLGUDGCTQ-HXUWFJFHSA-N 367.445 4.089 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c(C)c1 219056370 JPQSUWDUZBVEIA-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(C)cc1 218973662 NHTWMUDPVSPWON-HNAYVOBHSA-N 369.461 4.190 0 40 FIAB CCOC(=O)C1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 45051683 BSCJOBNYAZZCAG-UHFFFAOYSA-N 369.914 4.014 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1C(C)(C)C 223712687 BLRUHKRQZVODST-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB COc1ccc(NC(=S)NCCSc2ccc(C)cc2)cc1OC 225285858 CATVVISZZSSLJW-UHFFFAOYSA-N 362.520 4.091 0 40 FIAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 136010368 LOXAVPGXXWVKKH-ULAZLLGUSA-N 372.262 4.097 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c(C)c1 225168200 WKZVKLQEXAAEJH-GOSISDBHSA-N 367.489 4.145 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCCc2ccccc2OC)cc1 222892156 MKILDIHWTYKBCH-FQEVSTJZSA-N 355.478 4.164 0 40 FIAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COCC(C)C 224452046 BGUNSFBXWMSOTQ-UHFFFAOYSA-N 370.449 4.079 0 40 FIAB CC(C)(C)c1ccccc1OCCNC(=O)COc1ccc(Cl)cc1 223663541 NCGDVCDKDRVVML-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 224128540 BDXPUBCJENMYLM-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB O=C(Nc1ccccc1)N1CCC[C@@]2(CCCN2Cc2ccccc2F)C1 96214637 OMPCOLVLHXTPRT-JOCHJYFZSA-N 367.468 4.488 0 40 FIAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N[C@H](Cc1ccccc1)c1ncco1 654599767 SNUBXADCEKLBES-IPMKNSEASA-N 353.466 4.226 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC[C@H]4C[C@H]43)nn2-c2ccccc2)cc1 672121195 BDXBGXSAFQNOIW-LAUBAEHRSA-N 373.456 4.172 0 40 FIAB O=C1C[C@H](c2ccccc2)C(=O)N1c1c2c(nc3ccccc13)CCCC2 1772491238 ABVXIORLAIDEBE-GOSISDBHSA-N 356.425 4.161 0 40 FIAB C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N(C)c1ccccc1 46767528 AFZMGZYXXFMQFE-GFCCVEGCSA-N 356.809 4.030 0 40 FIAB C[C](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C 1560410098 FNGYFAOEVQJXFV-UHFFFAOYSA-N 369.376 4.062 0 40 FIAB Clc1cc(Br)c2ncc(I)cc2c1 1776011301 YMOVWWBOHUOXSG-UHFFFAOYSA-N 368.399 4.255 0 40 FIAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3ccccc3)ccc12 5348266 CIAOHVRDZDYIEG-OAHLLOKOSA-N 365.429 4.002 0 40 FIAB COc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 5917548 ULHPANZSUORXJT-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB O=C(NCCCCOc1ccc(F)cc1)c1ccc(Br)cc1 12392611 LNKZROAWGPDOSE-UHFFFAOYSA-N 366.230 4.177 0 40 FIAB Cc1cccn2cc(COC(=O)c3c4c(nc5ccccc35)CCC4)nc12 12535664 BEAVTGPTAKQHGM-UHFFFAOYSA-N 357.413 4.037 0 40 FIAB Fc1cccc(CN(CCCn2ccnc2)Cc2ccc(F)cc2F)c1 13991151 RNZIMMVSWILEGO-UHFFFAOYSA-N 359.395 4.393 0 40 FIAB Cc1ccc([C@H](Cc2ccsc2)NCc2ccc3nccnc3c2)nc1 19215528 SPTOQUVFAHWZPY-NRFANRHFSA-N 360.486 4.468 0 40 FIAB O=C(CSCc1ccccc1)NC[C@@H](O)c1ccc(-c2ccco2)s1 1888979425 GNCMRBUKZQLWJT-OAHLLOKOSA-N 373.499 4.091 0 40 FIAB Cc1ccc2cc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c(C)nc2c1 24745073 XSCRGADIAKVTMR-UHFFFAOYSA-N 373.456 4.340 0 40 FIAB COCc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2)cs1 28889274 RNUNPLJOJWQLKW-UHFFFAOYSA-N 354.431 4.217 0 40 FIAB Cc1cc(OC[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccn1 1776001296 KCQJVMDOYLBSRE-CQSZACIVSA-N 351.372 4.099 0 40 FIAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1ccc(F)cc1Cl 2087126139 LPTHFBHFSPEELV-UHFFFAOYSA-N 371.774 4.143 0 40 FIAB CCOc1ccc(-n2ccnc(SCc3ccc(F)cc3)c2=O)cc1 4853233 MVFITZUNJJTGSV-UHFFFAOYSA-N 356.422 4.063 0 40 FIAB C[C@@H]1CCCCN1c1c(S(=O)(=O)c2ccccc2)cnc2ccccc12 23643456 VEEPSNCMIYHREE-MRXNPFEDSA-N 366.486 4.446 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1c(F)cccc1Cl 585147945 JVWYDCGEGKWVPA-INIZCTEOSA-N 359.784 4.203 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C1(c2ccc(F)cc2)CC1 575611283 UNXLTCCLHIPXRA-INIZCTEOSA-N 371.433 4.029 0 40 FIAB CC(=O)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 4273204 YTQMINKNUNMIDX-UHFFFAOYSA-N 362.252 4.007 0 40 FIAB O=C(CC/C=C/c1ccccc1)Nc1ccccc1OCCn1ccnc1 78083456 VCHHMBFYCJZXED-ONNFQVAWSA-N 361.445 4.394 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(OC(F)(F)F)cc2)[C@H](c2cccnc2)C1 40285724 QMHHKYKRTFGXRL-AWEZNQCLSA-N 374.322 4.290 0 40 FIAB Cc1nn(-c2nc3ccccc3s2)c(O)c1-c1cc(=O)c2ccccc2[nH]1 100429083 PWPJINKMUYXDGF-UHFFFAOYSA-N 374.425 4.005 0 40 FIAB O=C(OC[C@H]1CCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12 32666405 SPSBLTBTFSRPTH-MRXNPFEDSA-N 351.377 4.377 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)cc1 635346 RNUSDEOCKBDLHR-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB Cc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCC3 727190 UQYAXLSLVVTYDI-UHFFFAOYSA-N 361.264 4.007 0 40 FIAB Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(Br)cc1 727353 FMHNAIRTUPAJEY-UHFFFAOYSA-N 355.235 4.279 0 40 FIAB COc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)c(OC)c1 817929 REUNBPLMUCEXFC-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB CCCc1nc(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc2n1 1342798 INPACPAHCZQNKM-GASCZTMLSA-N 357.523 4.179 0 40 FIAB COc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 1432793 SBSMCKFZAVUMSO-UHFFFAOYSA-N 350.296 4.343 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2C)c1 2636980 DZJHYLZDMBXNBR-UHFFFAOYSA-N 359.401 4.044 0 40 FIAB Cc1ccc2c(CSCC(=O)N3CCCCCC3)cc(=O)oc2c1C 2651787 FWGJZALYGORURN-UHFFFAOYSA-N 359.491 4.046 0 40 FIAB C=C=CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 2710190 PWUOXWLDYIBUGB-UHFFFAOYSA-N 351.431 4.342 0 40 FIAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(F)c2)s1 3351005 UYPZHNFIQMEDHC-UHFFFAOYSA-N 374.466 4.460 0 40 FIAB O=C(COC(=O)c1ccccc1Br)c1ccc(Cl)cc1 5003924 XRWOFUFTUBMTLO-UHFFFAOYSA-N 353.599 4.142 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C)ccc1Br 5121066 VKAMWWKXGSEEOW-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(C)c3)n2)cc1 5180057 ZTGWXFPQEWEWDM-CQSZACIVSA-N 366.490 4.462 0 40 FIAB COc1ccc2oc(=O)c(C(=O)Nc3c(Cl)cccc3Cl)cc2c1 5361410 SDGPIECWJKXYDJ-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3ccco3)cs2)cc1 5855506 RNCMYOJIKZRALX-UHFFFAOYSA-N 370.430 4.340 0 40 FIAB O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 5945874 JZERBCQORPSAJH-UHFFFAOYSA-N 366.417 4.156 0 40 FIAB COc1cc(COc2ccccc2CO)ccc1OCc1ccccc1 6229955 YMAMSYTUFMRDFW-UHFFFAOYSA-N 350.414 4.346 0 40 FIAB COc1ccc(CCC(=O)OCc2coc(-c3cccs3)n2)cc1OC 7203991 JVQQLPJBMMDSNW-UHFFFAOYSA-N 373.430 4.096 0 40 FIAB Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cc2s1 7505267 KMTXKCGGECNSKK-UHFFFAOYSA-N 356.831 4.198 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)s1 7617152 KGOORPXMMLAXOL-UHFFFAOYSA-N 370.503 4.274 0 40 FIAB O=C(COc1ccccc1/C=C/c1ccc2cccc(O)c2n1)N1CCCC1 8131163 JDVFAKIAIPQILC-ZRDIBKRKSA-N 374.440 4.112 0 40 FIAB CCC[C@@H](NC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 8539081 MCCGKMLZBIBKLI-DOTOQJQBSA-N 372.538 4.143 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCCc1ccccc1 8710811 XAHICYGVFFBLHU-UHFFFAOYSA-N 351.494 4.061 0 40 FIAB Cc1cc(OCc2nc(-c3ccccn3)no2)c(C)c(C)c1Br 9190798 LIXZJQBGJYYDEJ-UHFFFAOYSA-N 374.238 4.398 0 40 FIAB C[C@H](Sc1nc(N)c2ccsc2n1)c1nc(-c2ccccc2)no1 9209206 IVYHJQMJUUKLKS-VIFPVBQESA-N 355.448 4.177 0 40 FIAB CCOC(=O)c1oc2ccc(NC(=O)c3ccc(OC)cc3)cc2c1C 9659852 VBFNPQJEUSIDOW-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCCO3)N1Cc1ccccc1 9864572 NOXRVFLTOAPWFY-QFIPXVFZSA-N 372.424 4.225 0 40 FIAB COc1cccc(C(=O)O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c1OC 11132001 YATFRYWCGBXVQU-ZHHULCEESA-N 372.461 4.035 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccc(C)cc2)N2CCCCCC2)cc1 11916635 WXHKBEGVIOSASJ-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB biogenic CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 12599933 GAVPCCOHGFLQFR-BFQNTYOBSA-N 369.914 4.160 0 40 FIAB COC(=O)c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1 13140826 NQWVFUVZEDILRJ-UHFFFAOYSA-N 370.412 4.091 0 40 FIAB CN(C)CCSc1nc2cc3c(cc2cc1Cc1ccccc1)OCO3 13483228 PCZXSHRFWHRKTB-UHFFFAOYSA-N 366.486 4.208 0 40 FIAB CC[C@H](C)[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)O 13556476 BKOFIZJEIBKKCA-SJCJKPOMSA-N 367.405 4.116 0 40 FIAB CSc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c1 14158069 HUMIQSDLVGADIJ-OAHLLOKOSA-N 372.465 4.039 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)c1 15133170 NVAHCAAYQZJYCY-GFCCVEGCSA-N 365.882 4.327 0 40 FIAB CCCc1nnc2sc(-c3cc(Br)ccc3Cl)nn12 15423444 HJKIRPKMZTZHSD-UHFFFAOYSA-N 357.664 4.221 0 40 FIAB Cc1cccc(CN2CCCC[C@H]3CN(C(=O)c4cccs4)C[C@H]32)c1 19235013 QRTHTFDCPDYMPI-RBUKOAKNSA-N 354.519 4.183 0 40 FIAB C[C@@H]1CCCC[C@H]1N1CCN(Cc2ccc(Br)cc2)CC1 19361543 OWGHSDXRNVLLLV-CRAIPNDOSA-N 351.332 4.145 0 40 FIAB Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C)c4)cc3C2=O)cc1 20095922 DAQCPQBIQLTRPM-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1ccc(NCC(=O)Nc2ccc(Cl)cc2)c(Br)c1 21798165 WYCQQTIZILOTMZ-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2cc(OC)ccc21 22235806 NULQSWSRVFGXEJ-UHFFFAOYSA-N 374.799 4.075 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 22257366 XEZWSAWDCOSMCW-AWEZNQCLSA-N 354.475 4.105 0 40 FIAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)Cc1ccccc1-2 22975930 DQPVDGZHAHGWOK-UHFFFAOYSA-N 370.408 4.195 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C/C=C/c2ccccc2)CC1 28210833 PBBBBXLDGFGUHL-VMPITWQZSA-N 374.406 4.177 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2C)NC(=S)N1 28464936 FRXRWHVCYNWOBK-LJQANCHMSA-N 365.502 4.043 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C(C)C)cc2)c(C)c1 28910152 FJGVPGAETHHKHG-MRXNPFEDSA-N 353.466 4.337 0 40 FIAB C[C@H](OCC(F)(F)F)C(=O)Nc1nc2c(ccc3ccccc32)s1 31680843 NFGLRZQIODDVJD-VIFPVBQESA-N 354.353 4.355 0 40 FIAB Cc1ccn2cc(C(=O)N[C@@H](C)c3ccc(OC(F)(F)F)cc3)nc2c1 31952483 ORHMQAJOKKKNFA-LBPRGKRZSA-N 363.339 4.032 0 40 FIAB CSc1cccc(-c2nnc(NC(=O)c3c[nH]c4ccccc34)o2)c1 36694067 CZKNRTMOHOIEDJ-UHFFFAOYSA-N 350.403 4.192 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 38677335 MFUCKUWUDDKTBB-MRXNPFEDSA-N 351.372 4.130 0 40 FIAB CCCN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1=O 40104209 YBJYNPFXGVPFLF-UHFFFAOYSA-N 351.450 4.258 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[C@@H]1c1ccsc1 40105557 MZDOQWSCKZSZCH-GOSISDBHSA-N 352.463 4.362 0 40 FIAB Cc1sc2ncnc(SCCC(=O)NCc3ccccc3)c2c1C 40287305 HKRGNHCFRLAHIX-UHFFFAOYSA-N 357.504 4.107 0 40 FIAB Cc1cccc(C2(O)CCN(Cc3nc4ccccc4n3C(C)C)CC2)c1 57822744 SHXBNTAADBAEJK-UHFFFAOYSA-N 363.505 4.409 0 40 FIAB OC1CN(c2nc(-c3ccccc3)nc3scc(-c4ccccc4)c23)C1 58407633 GDRXBTKXJTVTIA-UHFFFAOYSA-N 359.454 4.206 0 40 FIAB CCN(CC)C(=O)c1cc(Cl)c(I)c(Cl)c1 59842948 CSVCAUTVUVVHPW-UHFFFAOYSA-N 372.033 4.080 0 40 FIAB Oc1nc(-c2ncccn2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 63837428 UDBJIMPDCWTDSK-UHFFFAOYSA-N 368.318 4.478 0 40 FIAB Clc1ccccc1/C=C/c1nn2c(CN3CCCCCC3)nnc2s1 71260612 YBDTYGBFVZQETI-MDZDMXLPSA-N 373.913 4.386 0 40 FIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](O)(c1ccccc1)C(F)(F)F 72208731 KYULFLRGRVIACI-RHSMWYFYSA-N 359.388 4.226 0 40 FIAB C[S@@](=O)C[C@H](NCc1csc(-c2ccccc2F)n1)c1ccccc1 95462651 CJZPEUYADWFWQQ-BVZFJXPGSA-N 374.506 4.159 0 40 FIAB Cc1cccc(-c2ccc3cc(C(=O)NC4CC4)c(-c4cocn4)n3c2)c1 96267028 DBYGWUWPUIRHGO-UHFFFAOYSA-N 357.413 4.462 0 40 FIAB O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cc2c(s1)CCCCCC2 103593277 LCKDGNOROIQSRP-MRXNPFEDSA-N 368.502 4.263 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1ccc(C(C)C)cc1 218961369 WLCGRWNMBRXROR-UHFFFAOYSA-N 355.478 4.337 0 40 FIAB CC(=O)c1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219461544 KOWHMBYCZWRYDN-UHFFFAOYSA-N 372.424 4.422 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)S1 222602705 PUOHFDIUCRDOIH-ZMYBRWDISA-N 364.474 4.114 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 223133789 SLQZEBYPOOTOAQ-UZLBHIALSA-N 371.477 4.355 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SC)s1 223647189 XUWBSMQRXJAGFG-ZDUSSCGKSA-N 359.476 4.209 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1C(C)(C)C 223718639 HFDZXHQOVPIWOH-GOSISDBHSA-N 373.468 4.476 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 224012262 GYVZVBZSRWPAPN-LBPRGKRZSA-N 371.308 4.179 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1cc(C)cc(C)c1 224092451 NTCMIYHRBMOZPO-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COCC(C)C 224735051 GXDNBEFFAHCBKE-UHFFFAOYSA-N 355.478 4.230 0 40 FIAB COc1ccc(OC)c(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)O)c1 225114982 ACXPUEHGZZMXKG-IBGZPJMESA-N 358.434 4.076 0 40 FIAB COc1cc(CNC(=S)Nc2ccc(F)c(F)c2)ccc1OC(C)C 225531485 ZQVVONNJQOYSER-UHFFFAOYSA-N 366.433 4.247 0 40 FIAB COc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225681374 HSMYTAKRMPRMAP-QGZVFWFLSA-N 372.490 4.293 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225730149 IYXYTYBPTCGSQO-NRFANRHFSA-N 362.514 4.085 0 40 FIAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)n1 257210774 BWDCMXPAUYUYCB-SAABIXHNSA-N 366.509 4.283 0 40 FIAB COc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)ccc1OC(C)C 257226152 FJIRJPFUOWSWNU-JRBPQWBISA-N 361.482 4.007 0 40 FIAB Cc1ncoc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257255404 KHINIXZXMGFIDT-MRXNPFEDSA-N 371.824 4.193 0 40 FIAB Cc1csc(-c2cc(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ncn2)n1 257343272 ZSGHJNNNPVDNKW-CQSZACIVSA-N 374.510 4.098 0 40 FIAB Nc1ccccc1SCC(=O)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 408531049 LQZXIQQFMAJNIY-QAPCUYQASA-N 366.511 4.363 0 40 FIAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccnc2Cl)cc1 408623364 SWQSBAKDCTUTBT-UHFFFAOYSA-N 365.820 4.169 0 40 FIAB COc1ccc(C(=S)N2CCc3ccccc3C2)cc1Br 409198183 ZHAHVWHYUCMFDB-UHFFFAOYSA-N 362.292 4.192 0 40 FIAB COc1ccc([C@H]2CCN(C(=O)Nc3nc(C4CCC4)cs3)C2)cc1 516905768 KLJWBRUWZBSCOM-HNNXBMFYSA-N 357.479 4.441 0 40 FIAB CC[C@H](C)CN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccc(C)o3)[C@H]2C1 585109724 LSPBCQSUEQQENG-CMBBURJTSA-N 352.478 4.134 0 40 FIAB Cc1cnc(-c2nccnc2[C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)[nH]1 585182384 BOFOXENPAOXIPH-INIZCTEOSA-N 372.476 4.036 0 40 FIAB O=C(Nc1nnc(-c2ccncc2)s1)c1cc(Cl)nc2ccccc12 1319236017 GKNABSCIYYIYLB-UHFFFAOYSA-N 367.821 4.054 0 40 FIAB CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1 589101 OFXAEWYLVPBGGU-UHFFFAOYSA-N 363.236 4.211 0 40 FIAB CCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21 693660 FTRJVRYKTMVRGH-UHFFFAOYSA-N 367.796 4.012 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 882336 SIGDCJDKRMJCMS-TXEJJXNPSA-N 365.886 4.272 0 40 FIAB COc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CCC3 1322046 VLKFPMMRAIOMMQ-UHFFFAOYSA-N 372.515 4.445 0 40 FIAB CCOc1ccc(N[C@@H]2SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 2348078 UDRHBRSVYUOPFO-QGZVFWFLSA-N 356.447 4.027 0 40 FIAB O=C(NCCCCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 2349674 KUVIODLFUPNJQM-UHFFFAOYSA-N 365.260 4.071 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4C)nnc32)c(C)c1 2408960 UKTQXBCDRXZACM-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB CCOc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2472244 SNSCUFPKABAIEX-IRXDYDNUSA-N 369.856 4.059 0 40 FIAB CCOc1ccc([C@@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2472248 SNSCUFPKABAIEX-SJORKVTESA-N 369.856 4.059 0 40 FIAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N(C)c1ccccc1 3398015 IUOWOIUWCGGBFU-ZDUSSCGKSA-N 370.503 4.425 0 40 FIAB CCCCN(CCCC)C[C@@H](O)COc1ccc(Br)cc1 3401566 DHAMFUBSTHXWDX-MRXNPFEDSA-N 358.320 4.091 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc1 4331186 ROJVPTHVAQUQMU-UHFFFAOYSA-N 360.822 4.297 0 40 FIAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccs3)sc2c1 4359523 BLDGKIADSHNYCU-UHFFFAOYSA-N 359.520 4.265 0 40 FIAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 4385366 JRVILNIXKWBYMD-UHFFFAOYSA-N 357.410 4.426 0 40 FIAB CCCCN(C)C(=O)Cc1csc2nc(-c3ccc(OCC)cc3)cn12 5146911 BBTVYKYZCHSYOV-UHFFFAOYSA-N 371.506 4.263 0 40 FIAB CCOc1cc(C(=O)N[C@@H](C)c2cccs2)cc(OCC)c1OCC 6220437 VBNASWZRECJBGN-ZDUSSCGKSA-N 363.479 4.435 0 40 FIAB COc1cc2sc(NC(=O)COc3cccc(C)c3)nc2cc1Cl 6478892 HHDZZLCMYGAORU-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB c1ccc2c(c1)C[C@@H](CNc1ncnc3sc4c(c13)CCCC4)CO2 6585151 PFMUULLXSOLVOG-ZDUSSCGKSA-N 351.475 4.233 0 40 FIAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OC 6846229 FYNSPFXOAUIFPR-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OC)c(Cl)c1 6891647 VATORVOOLVNWKC-OAHLLOKOSA-N 364.854 4.116 0 40 FIAB CC(=O)Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 7278895 IXBRKGVDAQWGJF-UHFFFAOYSA-N 359.838 4.089 0 40 FIAB COc1ccc(OCCSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 7341988 YIQQRAVLLHZUQY-UHFFFAOYSA-N 361.854 4.305 0 40 FIAB CCCCCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21 7343646 OTOPGFQRQZGDFT-UHFFFAOYSA-N 365.477 4.208 0 40 FIAB COc1cccc(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)c1 8249153 ZKXAWFZWJXECPL-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB biogenic CC(C)Sc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)s1 8921296 NXOBVWPLADQJRD-LLVKDONJSA-N 353.538 4.182 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(CCCOc3ccccc3)s2)cc1 9227184 FRLOMVZXSIEPLT-UHFFFAOYSA-N 367.474 4.039 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)[C@H]1C[C@@H]1c1ccccc1Cl 9544627 QQQTYFSHAYERDZ-KGLIPLIRSA-N 358.850 4.476 0 40 FIAB Cc1c(Cl)c(Cn2nc(-c3ccc(F)cc3)oc2=O)nc2ccccc12 10423219 HKRVAOIROMTNKE-UHFFFAOYSA-N 369.783 4.201 0 40 FIAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2c(C)c(C)nc3ccccc23)cc1 11565676 CWGKAFCITDGMRT-OAHLLOKOSA-N 363.413 4.288 0 40 FIAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)s1 11746288 YAIXQNAHRJHSRB-UHFFFAOYSA-N 370.474 4.093 0 40 FIAB Cc1nn2c(ncc3c(=O)n(-c4ccccc4F)ccc32)c1-c1ccccc1 12409873 VSTCVBHXMAQYAR-UHFFFAOYSA-N 370.387 4.148 0 40 FIAB O=C(CSc1nnnn1-c1ccccc1)c1cc(Cl)sc1Cl 12771032 XIEZNRNRIPJAND-UHFFFAOYSA-N 371.274 4.006 0 40 FIAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2c1 12854270 AKTSAMRBCZRMPJ-IRXDYDNUSA-N 360.457 4.460 0 40 FIAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1cccc(C(F)(F)F)c1 13083413 NWOVZXACSCETRJ-UHFFFAOYSA-N 373.714 4.075 0 40 FIAB Cc1csc2nc(CN[C@H](c3ccc(Cl)cc3)C(C)C)cc(=O)n12 14084439 JTVZZHSJTJBUOO-KRWDZBQOSA-N 361.898 4.205 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 14301926 GCQSPUQZJZWDAV-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)Nc3ccccc3C)CC2)cc1 15936015 HNNJIFHCVFMGKI-UHFFFAOYSA-N 352.434 4.130 0 40 FIAB O=c1[nH]c(CSc2nc3ccccc3s2)nc2cc(Cl)ccc12 18022264 FCFIHDTZRRUSIG-UHFFFAOYSA-N 359.863 4.479 0 40 FIAB CNC1CCC2(CC1)CN(Cc1cccc(C)c1)Cc1ccccc1O2 19235083 VKQLDTRQJGRIFH-UHFFFAOYSA-N 350.506 4.290 0 40 FIAB COc1ccc(CNc2ncccc2C(=O)Nc2cccnc2Cl)cc1 20444625 ZMVLHJLZGJQESC-UHFFFAOYSA-N 368.824 4.003 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 20490804 IRQLHEZKUDGEKQ-WMZOPIPTSA-N 371.477 4.355 0 40 FIAB CN(C)CCNCC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 20573265 OMVACMSEFZLKAW-HKUYNNGSSA-N 366.977 4.245 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1C 21576410 XNSBGJDHXQXNOO-UHFFFAOYSA-N 356.441 4.450 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccsc1 22185919 TYJPWDXRZSCNNZ-UHFFFAOYSA-N 354.353 4.368 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1ccc(F)cc1F 22901066 ZVAOFLGKPRYYHZ-UHFFFAOYSA-N 359.401 4.064 0 40 FIAB O=C(CN1CCSc2ccccc21)N1CCS[C@H]1c1ccccc1F 24924258 PJVBUNNMTGOTQB-IBGZPJMESA-N 374.506 4.012 0 40 FIAB CCCCN(C(=O)c1ccc2c(c1)nc(C)c(=O)n2CC)c1ccccc1 25724329 BLIRZNRKMFRESS-UHFFFAOYSA-N 363.461 4.172 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccccc2n1C 27923889 ULJLVJPXNQVRPW-JTQLQIEISA-N 364.232 4.286 0 40 FIAB Cc1occc1C(=O)Nc1nc2ccc(OCC(F)(F)F)cc2s1 31826272 BEDWKQYLENAICC-UHFFFAOYSA-N 356.325 4.391 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3cccc(C)c3)n2)cc1 31848779 FWHGOWKMJFUUFT-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB CCC(=O)NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 40108574 WXYWQDZGCOLHCT-KRWDZBQOSA-N 360.548 4.096 0 40 FIAB COc1cc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)c(OC)cc1Cl 48234345 NIJMHYVCTJWCHM-DOMZBBRYSA-N 370.877 4.074 0 40 FIAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1 48368354 FFZRDMSEVDPUTH-SJORKVTESA-N 372.896 4.058 0 40 FIAB CCOc1ccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)cc1 64936507 OABUNBQCOVJQSV-UHFFFAOYSA-N 374.506 4.022 0 40 FIAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc(F)cc(F)c1 65562149 VOHSTCXIDYKSDJ-UHFFFAOYSA-N 358.388 4.198 0 40 FIAB COc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N)n1 71977719 DQWZLOUJKOCGCV-UHFFFAOYSA-N 356.223 4.164 0 40 FIAB COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)cc(OC)c1OC 71978275 AHTKDKYBUCQTQU-UHFFFAOYSA-N 371.824 4.072 0 40 FIAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(O)c(Cl)c1 95390032 AJLQOIMTZZTODQ-OAHLLOKOSA-N 367.779 4.454 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1cccc(Oc2ccccn2)c1 96122527 BCEXARUNJDRJCI-UHFFFAOYSA-N 368.820 4.223 0 40 FIAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4CCCCC4)[C@H]3C2=O)cc1 100948805 UHPFMGZMAVKYRF-UKAVVXHISA-N 363.457 4.267 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2ccco2)C1 102603563 XWKWFBCNAZINHU-XTZNXHDOSA-N 368.343 4.215 0 40 FIAB C[C@H](C(=O)C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 104275231 KHXDNWPFRBACSL-JTQLQIEISA-N 350.201 4.020 0 40 FIAB CCN(C(=O)Nc1cccnc1Cl)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106924955 JCKOLSXYZGGJIX-NVXWUHKLSA-N 372.900 4.424 0 40 FIAB Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 112470298 JCOHZXDNNCJJMZ-VQTJNVASSA-N 354.498 4.362 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccccc2)CC1 113970756 YLNAUEZMUZEIPM-HXUWFJFHSA-N 372.896 4.155 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 141672752 FVNDZHBOQAXKLV-ZHMYYEFOSA-N 355.743 4.060 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1 223356463 BHSXSRWDMDDODX-GOSISDBHSA-N 369.530 4.173 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC(C)(C)C 223583976 WXHKJEUFHPQPPI-HNNXBMFYSA-N 373.324 4.425 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1C 224125175 UNFVYOYHEULBAR-UHFFFAOYSA-N 352.478 4.103 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(C)c(C)c1 224286932 QOUDYAUPANQGEM-UHFFFAOYSA-N 365.429 4.414 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3F)n2)c1 224425204 AGSBCCYBEUHDET-UHFFFAOYSA-N 373.815 4.039 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 224520470 BGFWSRGKUXIOOZ-UHFFFAOYSA-N 350.462 4.275 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(Cl)cc1 225111040 QTSWQFKXDXYHMB-HNNXBMFYSA-N 373.880 4.181 0 40 FIAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(Br)cn1 225194773 CKSKSHQNDNIUGB-GFCCVEGCSA-N 364.312 4.152 0 40 FIAB O=C(C1CCCCC1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225243650 TUASJMOCFRAPHO-SFQUDFHCSA-N 373.453 4.330 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(OC(C)C)cc1 225583245 BLRHSACWFSVAON-GOSISDBHSA-N 363.571 4.415 0 40 FIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225624957 XWSPHCSWGOGDMI-GOSISDBHSA-N 357.878 4.289 0 40 FIAB CCOc1cc(C(=O)OC)ccc1OCc1cccc(Br)c1 226326385 YNLRMGZNIBUJAR-UHFFFAOYSA-N 365.223 4.213 0 40 FIAB CSc1ccc(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 260562875 CKXACLMTFIHWDF-LLVKDONJSA-N 353.896 4.202 0 40 FIAB CC(C)(C)SC[C@H]1CCCCN1S(=O)(=O)c1ccccc1Cl 390832253 YFHYKZUSGNLPRM-CYBMUJFWSA-N 361.960 4.415 0 40 FIAB C[C@@H]1C(=O)N(c2cccc(Oc3ccncc3)c2)C(=O)N1Cc1ccccc1 553123179 QIYGJGZIXGIUDY-MRXNPFEDSA-N 373.412 4.231 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1OC1CCCC1)n1ccc(C(F)(F)F)n1 1534186809 YYEWYMIHXPBGRC-LBPRGKRZSA-N 367.371 4.423 0 40 FIAB Cc1ccsc1CN(C)C(=O)c1c(C)nn(Cc2ccccc2)c1C 69694810 GPZBGXHMTKGYPE-UHFFFAOYSA-N 353.491 4.190 0 40 FIAB CC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1cccc(C)c1 2626192 AGGYGVYFMIZELR-UHFFFAOYSA-N 358.850 4.029 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)c1 976322 WXECIJNGIJIJPN-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Cc1[nH]c2c(Cl)cc(Cl)cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O 1067706 GHVJRVXNXMZSMB-KRWDZBQOSA-N 371.264 4.265 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(F)cc1 1589044 PJDHKQVFXSGRMO-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB O=C(O[C@]1(c2ccccc2)OCCN[C@@H]1c1ccccc1)c1ccccc1 1666035 OXGXVNCQHVJYIF-GGAORHGYSA-N 359.425 4.058 0 40 FIAB CN(C(=O)COC(=O)CCSc1ccccc1Cl)c1ccccc1 3264729 QLNIXBDWINWJEE-UHFFFAOYSA-N 363.866 4.028 0 40 FIAB C[C@H](Sc1ccccc1F)C(=O)NC1CCN(Cc2ccccc2)CC1 42095797 XBRPSIATCXYLQG-INIZCTEOSA-N 372.509 4.087 0 40 FIAB COc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)C(C)(C)C=C2C 727596 AJOVEFZEUWNBAT-UHFFFAOYSA-N 361.438 4.225 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Sc2nc(CCC3CCCC3)n[nH]2)cc1 12104968 JXPWIIBHXHZDRT-CYBMUJFWSA-N 374.510 4.055 0 40 FIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1cccc(-c2nnco2)c1 23146852 XJMJOYQIYMDMAN-RMKNXTFCSA-N 359.307 4.407 0 40 FIAB Cc1ccccc1-c1noc(CSc2nnc(Cc3ccccc3)o2)n1 8936218 XQYQTXJRTWBBPX-UHFFFAOYSA-N 364.430 4.311 0 40 FIAB Fc1ccc([C@H]2C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1 2918057 VSBYDXANMWTLTP-CABCVRRESA-N 360.339 4.165 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2ccccc2N2CCCCCC2)c1 24759954 KIQACGYVAJUTHB-UHFFFAOYSA-N 351.450 4.278 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1cccc(OC)c1)C3 55393845 SSVKKVWIILTWCR-UHFFFAOYSA-N 365.429 4.106 0 40 FIAB COc1ccc(Cc2nc(C(=O)Nc3ccc(OC)cc3)cs2)cc1 1384023 VZQZIUGZXUSKLW-UHFFFAOYSA-N 354.431 4.003 0 40 FIAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(F)c(F)c1 24954097 PLFGYXVWICIRFA-SNVBAGLBSA-N 361.779 4.499 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H]3CCOc4ccccc43)cc12 12593881 FYTSGQLUKCIZNL-MRXNPFEDSA-N 369.490 4.316 0 40 FIAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)C2(CCC(C(C)(C)C)CC2)N1 34872257 KBOKYBBTCCFDJH-LYNDWLEASA-N 354.494 4.287 0 40 FIAB O=C1O[C@@H](c2ccccc2)[C@@](O)(c2ccccc2)N1Cc1cccs1 1422465 LUOUFCILZDDTNK-ICSRJNTNSA-N 351.427 4.287 0 40 FIAB Cc1ccc(C)c(C(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c1 2073930 YMBMMXFTOUUELJ-UHFFFAOYSA-N 367.445 4.065 0 40 FIAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1C 58180076 NDZTTWFBKAVFHC-UHFFFAOYSA-N 366.870 4.052 0 40 FIAB COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2F)c1 10227652 COMCFGREGQVWDR-SFHVURJKSA-N 362.832 4.263 0 40 FIAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1Cl 3348660 AMZNXBVOTRILMD-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)CCCSc1ccccc1 3332465 MCTAQKCFOOTGMU-UHFFFAOYSA-N 358.463 4.165 0 40 FIAB O=C(Nc1ccccc1Cl)n1c(=O)oc2cc(Br)ccc21 2272081 RLUJBKXSYZUUJT-UHFFFAOYSA-N 367.586 4.091 0 40 FIAB C[C@@H]1CCc2[nH]c3c(C(=O)OCc4ncc(Cl)n4C)cccc3c2C1 58720822 QOFZBCJCSMACHO-LLVKDONJSA-N 357.841 4.037 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 12770822 FRQSUNCSAMGREV-RBUKOAKNSA-N 374.488 4.132 0 40 FIAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(-c2ccccc2)cc1 12818317 XYJVJDNLZOZJGT-FQEVSTJZSA-N 359.425 4.266 0 40 FIAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NCCCc1ccccc1 11865940 OGTAHCZTIJKGIJ-IBGZPJMESA-N 368.502 4.072 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1)O[C@H](C)C2 12994005 YYYRNOJMZCBWJL-GFCCVEGCSA-N 361.825 4.080 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(F)c2)c1 12995235 NATWFADQMYTJAQ-UHFFFAOYSA-N 356.426 4.002 0 40 FIAB Cc1nn(C)c2sc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc12 12984300 WGMSLPSDLZDOOK-UHFFFAOYSA-N 367.396 4.234 0 40 FIAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C1CCOCC1 23056451 FLVSWDLPMRJTPW-UHFFFAOYSA-N 356.369 4.194 0 40 FIAB O=S(=O)(Cc1ccccc1)N(Cc1cccs1)Cc1cccs1 9482427 SERFCGCMMGXQIT-UHFFFAOYSA-N 363.529 4.342 0 40 FIAB CC(C)c1ccc(NC(=S)N(C)Cc2cc(=O)[nH]c3ccccc23)cc1 13730390 OAJUAEFONDSZLX-UHFFFAOYSA-N 365.502 4.480 0 40 FIAB COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 4316650 DZGMERHGXXJHRT-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2C)n[nH]1 6359353 VRCXDVRSRCATSR-UHFFFAOYSA-N 352.463 4.073 0 40 FIAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2cccc3cccnc23)o1 65514464 KQJVRZLQKCMUFK-FQEVSTJZSA-N 356.429 4.226 0 40 FIAB CCCN(CC1CC1)C[C@H](O)COC(c1ccccc1)c1ccccc1 6787560 QFYRLQIDLLADRC-QFIPXVFZSA-N 353.506 4.276 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C)c1 6931329 SFCZWSOOYFBVRQ-UHFFFAOYSA-N 353.340 4.291 0 40 FIAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H]2CCCO2)cc1 6980381 VEYIMMACXKGKMB-GOSISDBHSA-N 369.465 4.268 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1NCc1ccncc1)N1CCCCC1 67288528 VUCDRQDIFWLIOU-UHFFFAOYSA-N 364.424 4.007 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 15987394 RDOQPAPJTRQMHG-SNVBAGLBSA-N 353.419 4.087 0 40 FIAB COCc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 7688024 YEIRRCNTTUZPGN-UHFFFAOYSA-N 354.431 4.217 0 40 FIAB COc1ccc(-c2c/c(=N\CCCC(=O)O)c3cc(C)c(C)cc3o2)cc1 19793974 SBEDVXMBINNELJ-FCDQGJHFSA-N 365.429 4.491 0 40 FIAB CSCc1nnc(SCCc2ccc(OC(F)(F)F)cc2)o1 91579446 CSVWEOYFMQGQLN-UHFFFAOYSA-N 350.387 4.166 0 40 FIAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)s1 9582730 ZYXPVDNBCYKXIT-OAHLLOKOSA-N 371.458 4.089 0 40 FIAB CCCN(Cc1cc(F)cc2c1OCOC2)[C@@H]1CCc2ccccc2C1 71824867 UZGQJIWFMADQEH-OAQYLSRUSA-N 355.453 4.462 0 40 FIAB O=c1oc2ccccc2n1CCN[C@H](c1ccccc1)c1ccc(F)cc1 71982586 GCEQXJPXHWXRDD-OAQYLSRUSA-N 362.404 4.113 0 40 FIAB c1ccc(OCc2nc(CNc3cccnc3N3CCCC3)cs2)cc1 84556890 XZMAKHVKBAZZMB-UHFFFAOYSA-N 366.490 4.329 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C[C@@H]1OCCc2ccsc21 95349297 QWBVVCMOHOQWSO-HOTGVXAUSA-N 359.491 4.483 0 40 FIAB C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3cnn4cccnc34)c2)C1 84689716 RPSOIPGEIWUNCM-MAUKXSAKSA-N 364.449 4.077 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl 20144511 XMXJVLFBMQRZHN-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB O=C(C[C@@H](O)c1cccc(F)c1)Nc1ccc(COC2CCCC2)cc1 89774718 NUASOTQDRWASPG-HXUWFJFHSA-N 357.425 4.347 0 40 FIAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(C(=O)O)cc2)S1 408794628 AAZVCWFPRBOCJJ-UHFFFAOYSA-N 373.841 4.110 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 69634199 HHFKMTLOTIJIIH-OAHLLOKOSA-N 355.434 4.296 0 40 FIAB Cc1cc(C(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)ncn1 536189828 BSBDCFZXIPWMLX-UHFFFAOYSA-N 374.322 4.243 0 40 FIAB CC(C)CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38859117 QOQZCCLOBNLMCW-HNNXBMFYSA-N 357.325 4.368 0 40 FIAB C[C@@H](N)C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 65734220 GMSLUXIYPBUZRT-QGZVFWFLSA-N 361.441 4.375 0 40 FIAB in-vitro Fc1cccc(Cl)c1CN1CC(c2nc(Cc3ccccc3)no2)C1 75156420 LASKJHSYGNNAQW-UHFFFAOYSA-N 357.816 4.052 0 40 FIAB COc1ccc(CCNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 31673735 BSGANSCSENJBEC-UHFFFAOYSA-N 364.445 4.032 0 40 FIAB O=C(Nc1ccc(Cl)cn1)c1cc(C2CC2)nc2onc(C3CC3)c12 36617363 ZQDAVXRRVCUHNK-UHFFFAOYSA-N 354.797 4.278 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1cc(C)c(Cl)c(C)c1 218924813 JLLJRBOPWCKHJE-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)=O 72215215 NHZBNYGLXLBJFH-PBHICJAKSA-N 361.486 4.305 0 40 FIAB Cc1ccc(CSCCNC(=S)Nc2ccc(F)c(F)c2)cc1 225293384 KNTOTGVUXTUDPX-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(C)c(C)c1 225712518 CEXTTWPKHYEWFM-IBGZPJMESA-N 369.534 4.443 0 40 FIAB CC1(C)C[C@H](NC(=O)COc2cccc3c2CCCC3)c2ccccc2O1 225536417 FSGXKMBZPQNQDH-IBGZPJMESA-N 365.473 4.363 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224821931 RPIAGXGKWXVPSK-QZTJIDSGSA-N 367.489 4.225 0 40 FIAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cn1 225874741 YPVKCHWXSGIAPK-UHFFFAOYSA-N 372.440 4.087 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225360682 VTDAGMGWWYKUCR-UHFFFAOYSA-N 361.825 4.398 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225515147 XVTRGMWVGCSUNZ-INIZCTEOSA-N 367.518 4.121 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1ccc(F)cc1 225195156 PMVCNQKIZWFZIR-SECBINFHSA-N 354.248 4.031 0 40 FIAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)c(C)c1 222618795 GYPCANVFRLCFTO-IBGZPJMESA-N 366.461 4.012 0 40 FIAB COc1ccccc1CCCNC(=O)COc1ccccc1C(C)(C)C 222796785 VOHFPMGGAYSCOK-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1C 224274267 NZQGDVCGKOPIGC-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224613302 JCVYOJSHDJLULI-UHFFFAOYSA-N 374.289 4.390 0 40 FIAB O=C1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n2cccc21 333338993 SIYOYBMZHNSRKN-ICSRJNTNSA-N 361.445 4.241 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 243594338 ORMUFGRNFGZVQK-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2C(=O)NC(C)(C)C)n1 257325949 WVCSKXOHGONGHY-MRXNPFEDSA-N 371.485 4.092 0 40 FIAB Cc1cc([C@@H]2CCCCN2Cc2nccs2)nc(-c2c(C)noc2C)n1 257291547 QHMOSHHPAKJGIK-INIZCTEOSA-N 369.494 4.241 0 40 FIAB CCCOc1ccc(NC(=O)N2CCC[C@H](n3ccnc3)C2)cc1Cl 601128171 LYPDBALJGCELCU-HNNXBMFYSA-N 362.861 4.194 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1Cl 390828389 AVQHTKAKFWPIDZ-CYBMUJFWSA-N 365.813 4.264 0 40 FIAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)n1 585182578 YDPXJHBKIJJNOK-SFHVURJKSA-N 372.476 4.036 0 40 FIAB COc1ccccc1[C@H]1C=C(C23CC4CC(CC(C4)C2)C3)NC(=S)N1 5034303 DDHWODCIIMGRTI-BFKIHDCISA-N 354.519 4.314 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)c1 5359751 PBTHNSWGZWVLNG-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CC(C)OCCCNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 12220258 QAQFDCUOMVPFBY-UHFFFAOYSA-N 371.872 4.414 0 40 FIAB CCC(CC)C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12241888 MANSJURCSXGBHV-SFHVURJKSA-N 352.482 4.105 0 40 FIAB COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccs3)C[C@@H]21 13036493 GRYAVIDOWGSROK-OXJNMPFZSA-N 363.442 4.394 0 40 FIAB Cc1ccc(C)c2sc(NC(=S)NC(=O)/C=C/c3ccco3)nc12 14257658 PVOAHTSMUWWNAB-BQYQJAHWSA-N 357.460 4.033 0 40 FIAB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccccc4)C3)o2)s1 19217567 RXPYDVRWKHKJDM-OAHLLOKOSA-N 353.447 4.126 0 40 FIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@H](C)c2ccccn2)s1 19717697 ZTZFUGLLLRDCOL-GFCCVEGCSA-N 355.438 4.073 0 40 FIAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 753302 DEAFNHWONKHUNF-UHFFFAOYSA-N 355.434 4.217 0 40 FIAB Cc1cc(NCC(=O)Nc2cccc(Cl)c2)ccc1Br 21510312 YXXVCTITCOWUCK-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB O=C(Cc1ccsc1)N1CCC[C@H](Cc2cnc3[nH]ccc3c2)CC1 2037838694 WOMHMUNTMXSRQD-HNNXBMFYSA-N 353.491 4.038 0 40 FIAB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1cccc2ccccc12 10218973 AVHHHWWMZOVGLP-UHFFFAOYSA-N 371.433 4.172 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc(F)cc1 13694928 MBBZOGDWLPGZPF-UHFFFAOYSA-N 366.417 4.342 0 40 FIAB Cc1cc(N2CCC[C@H](COc3ncccc3Cl)C2)nc(C2CC2)n1 2298194313 DWLDIOWDQDXMOI-AWEZNQCLSA-N 358.873 4.006 0 40 FIAB CCCc1nnc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)s1 40130653 ZHWWBLVOONTJNA-CYBMUJFWSA-N 368.462 4.278 0 40 FIAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(F)c(F)c1 51364511 OWOUQYUWGMAQPL-HNNXBMFYSA-N 366.367 4.123 0 40 FIAB COc1ccc(C)cc1Nc1nnc(SC[C@@H]2CCCCO2)s1 20833647 XPAVTAYMWDSBML-LBPRGKRZSA-N 351.497 4.260 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Cl 41095156 WYKPHKFUWHPJDY-LLVKDONJSA-N 374.289 4.432 0 40 FIAB O=C(C[S@@](=O)Cc1ccc(Cl)cc1Cl)NC1CCCCCC1 32765051 PSOGKDOUPAYASY-JOCHJYFZSA-N 362.322 4.081 0 40 FIAB CSc1cccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)c1 102272461 JTXUHLSLSSDDHL-HNNXBMFYSA-N 360.866 4.114 0 40 FIAB COc1ccc(NC(=O)CSc2cc(C)nc3ccc(OC)cc23)cc1 915660 ZVFWJPFRWMOCJT-UHFFFAOYSA-N 368.458 4.291 0 40 FIAB CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 986074 FSFNIMPBTIXCSH-UHFFFAOYSA-N 356.516 4.301 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OCC 1073159 GUYBKOMDHOLRTR-WJDWOHSUSA-N 371.820 4.482 0 40 FIAB CC[C@@H](O)c1cnc(OCc2ccccc2)nc1OCc1ccccc1 1644627 QXCGMXJBRMUENB-LJQANCHMSA-N 350.418 4.078 0 40 FIAB CCCCOC(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 1778480 VFNWOIHAPGHGPO-UHFFFAOYSA-N 370.474 4.085 0 40 FIAB Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccco4)cc3n2)cc1 2212824 YJNQTXKPYWDWNA-UHFFFAOYSA-N 352.781 4.228 0 40 FIAB c1ccc2c(c1)CCO[C@H]2CNc1ncnc2sc3c(c12)CCCC3 2308443 MEFSQSRLAOZKOI-INIZCTEOSA-N 351.475 4.296 0 40 FIAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(C(F)(F)F)c2)c1 3555384 OXFFEOSDHVUZML-UHFFFAOYSA-N 364.367 4.033 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 4741587 DAWULVHIANAVMG-FQEVSTJZSA-N 361.445 4.451 0 40 FIAB CCOCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 5245350 YFPNUEWRCKVLAT-UHFFFAOYSA-N 358.507 4.432 0 40 FIAB COc1ccc(Cl)c2sc(NC(=O)c3ccc(C(C)=O)cc3)nc12 5256579 CALDGUYNCJEHJC-UHFFFAOYSA-N 360.822 4.413 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(C)c(C)c3)c2=O)c1 5270056 ANZIIIBMLBPERZ-UHFFFAOYSA-N 360.457 4.383 0 40 FIAB Cc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1 5543688 RJUNFIQMTYWTAU-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB CCc1sc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Br 5716033 WDRXZTDKDKBTJA-NVNXTCNLSA-N 354.229 4.427 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(OC)c1 7398268 YFGSCNZCRQGTLR-CQSZACIVSA-N 357.450 4.407 0 40 FIAB CCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)s1 7873419 VIHSRWOPUMQKAQ-LBPRGKRZSA-N 350.513 4.096 0 40 FIAB COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 8116408 RUINNLZAUWZZFK-UFWORHAWSA-N 354.189 4.216 0 40 FIAB CCCOC(=O)c1ccc2nc(C)c(CN3CCCCCC3)c(O)c2c1 8717199 DZBHJUWBGIUSAJ-UHFFFAOYSA-N 356.466 4.192 0 40 FIAB COC[C@H](C)NCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 8728531 CALGQOIQNXJWGS-HNNXBMFYSA-N 369.440 4.237 0 40 FIAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)c(C)c1 9074791 XPEOHIAFNQBXDL-UHFFFAOYSA-N 370.460 4.435 0 40 FIAB Cc1c(Cl)ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1Cl 11614173 MSVBNZSQGDMNMB-JTQLQIEISA-N 356.274 4.442 0 40 FIAB CC1CCC(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)CC1 12471619 ABHBGPRTYPWOLI-UHFFFAOYSA-N 357.523 4.208 0 40 FIAB O=C(COc1cccc2ccccc12)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12548107 CXNIQMVUFPHHFM-FQEVSTJZSA-N 371.440 4.042 0 40 FIAB CC(=O)c1ccc(SCC(=O)Nc2ccc(OC(F)F)cc2)c(F)c1 12784431 MSRHLKPBPKLXTA-UHFFFAOYSA-N 369.364 4.361 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 12891789 CDPPASHXVPXSDU-AWEZNQCLSA-N 372.852 4.181 0 40 FIAB O=S(=O)(c1ccccc1F)N1CCc2sccc2[C@H]1c1ccccc1 12917250 ACEKWYDBUKOKAI-LJQANCHMSA-N 373.474 4.224 0 40 FIAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1cccc(Cl)c1 13698590 DEGSSPNGLPRJKT-UHFFFAOYSA-N 373.865 4.044 0 40 FIAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)Cc1c(F)cccc1Cl 14239109 POFJYIWZPZFESG-GFCCVEGCSA-N 369.267 4.269 0 40 FIAB O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccccc1 14258475 YSDIVJUHKQEFDT-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc(C)c3oc(C)c(C(C)=O)c3c2)cc1 16779589 AWIQEMMPRNQIOL-UHFFFAOYSA-N 373.430 4.062 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c1C 17073078 ZRYVFLYLSZNWNC-UHFFFAOYSA-N 352.478 4.307 0 40 FIAB COc1ccc(C)cc1NC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 17076536 WMFSFFLIYWBOSB-UHFFFAOYSA-N 373.884 4.007 0 40 FIAB CC[C@H](C(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccccc1 17112793 UGONYZFJEQUGSP-HNNXBMFYSA-N 355.438 4.400 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 18111087 GJZFIGYREIMIAG-UHFFFAOYSA-N 355.290 4.013 0 40 FIAB CCn1cnc2cc(NC(=O)c3cccc(Cn4nc(C)cc4C)c3)ccc21 19578290 NIOZISPMKNPZHY-UHFFFAOYSA-N 373.460 4.170 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)c1 20112318 FOZYVTJWLIXMKD-MRXNPFEDSA-N 361.825 4.313 0 40 FIAB Cc1ccc(CNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1C 23574973 NEOQXHQLZMVLDG-HXUWFJFHSA-N 350.487 4.483 0 40 FIAB CC(C)C[C@H](NCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 23762783 VGBUXPHEIKIHGH-INIZCTEOSA-N 367.518 4.350 0 40 FIAB C[C@H](NCc1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 25356121 DADZPOFIDZMKLN-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB CC(C)c1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)c2ccccc2n1 25813478 NSOYXZVTAGRAMP-HXUWFJFHSA-N 367.518 4.452 0 40 FIAB O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1cccs1 26771297 SFLZEJGYKCIRRA-GFCCVEGCSA-N 350.654 4.253 0 40 FIAB O=C(Cc1ccccc1)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27663744 KGYNDKDDYGZMKE-FQEVSTJZSA-N 356.897 4.226 0 40 FIAB C[C@H](NC(=O)c1ccc(Br)o1)c1ccc(-n2cccc2)cc1 28221109 ISBDKXASMDIKEZ-LBPRGKRZSA-N 359.223 4.324 0 40 FIAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1O 43078872 OYFQNZGRVMTXCA-GHXNOFRVSA-N 360.207 4.046 0 40 FIAB Cc1ccc(-c2nnc(COC(=O)CSc3ccc(F)cc3)o2)cc1 46853121 DFTLWISNCKGIKZ-UHFFFAOYSA-N 358.394 4.020 0 40 FIAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)n1 47318280 YLHQKBSBYXRCBB-UHFFFAOYSA-N 374.227 4.304 0 40 FIAB O=C(NCc1ccccc1)Nc1cccc(COC[C@@H]2CCCCO2)c1 47626588 HBMRVNFYIGTZAI-FQEVSTJZSA-N 354.450 4.094 0 40 FIAB CCn1cnnc1CNc1ncnc2scc(-c3ccc(C)c(C)c3)c12 48313741 PSDKWCGOSGAFFB-UHFFFAOYSA-N 364.478 4.199 0 40 FIAB COc1cccc(C[C@@H]2CCCN2CC(=O)N(c2ccccc2)C(C)C)c1 48324962 GGZACVJIZAFUBH-NRFANRHFSA-N 366.505 4.144 0 40 FIAB COc1ccc(C(=O)Nc2cccnc2-n2cccn2)cc1-c1ccccc1 50312644 ZUWWRUOLXDKUEN-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB CN(C)[C@H](CNc1ncnc2sccc12)c1c(F)cccc1Cl 57364292 GQJQPQHEMLASIL-CYBMUJFWSA-N 350.850 4.199 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1 57406361 ITFMWEPQFUROGY-KRWDZBQOSA-N 360.457 4.401 0 40 FIAB COc1cccc([C@H]2CCCN2Cc2cc(=O)oc3c(C)c(O)ccc23)c1 57483952 CCBYEICBVGUXHQ-LJQANCHMSA-N 365.429 4.153 0 40 FIAB Cn1cc([C@@H]2C[C@H]2C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cn1 63938401 GUZWONWGUAJLSL-VQTJNVASSA-N 365.864 4.410 0 40 FIAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)ccc1O 71279316 IDLCHYKPXVFPNH-INIZCTEOSA-N 359.451 4.304 0 40 FIAB Cc1nccn1-c1cccc(C2CCN(CCCc3ccccc3)CC2)n1 72379114 DFANHGYZLCAMSF-UHFFFAOYSA-N 360.505 4.388 0 40 FIAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 78848994 WTRNOIODTXUYNI-ORAYPTAESA-N 355.482 4.334 0 40 FIAB COc1ccc(SCC2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 85472333 NSBQXTYHEAADMN-UHFFFAOYSA-N 373.493 4.408 0 40 FIAB CC(=O)c1cccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c1 89331422 GEQHIURCZHIGAF-UHFFFAOYSA-N 358.441 4.207 0 40 FIAB CCOC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(-c2ccccc2Cl)o1 89978168 PLZLKXUYKADNNW-LJQANCHMSA-N 361.825 4.158 0 40 FIAB CC(C)[C@@H](CNC(=O)C(C)(C)[C@@H](O)c1ccc(O)cc1)c1ccccc1 95436656 BAGNJWRVOARSSP-UXHICEINSA-N 355.478 4.008 0 40 FIAB C[C@H](NC(=O)Nc1ccc(-n2ncc3ccccc32)cc1)c1ccncc1 95466907 JNYZQPODFVQOTL-HNNXBMFYSA-N 357.417 4.303 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCSc1ccccc1 95481673 IKASWRFVRQEFEI-UHFFFAOYSA-N 373.503 4.329 0 40 FIAB Cc1nccc(NC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c1Cl 96003452 NDNLNOLPPJXPEK-MDZDMXLPSA-N 366.852 4.498 0 40 FIAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105129607 KMWFLQLSZFSTAV-RLFYNMQTSA-N 350.466 4.046 0 40 FIAB COc1cccc(C(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)c1OC 206670580 AMTJGPGZXGUISG-INIZCTEOSA-N 357.425 4.253 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)COc1ccccc1C 222969928 ZOVLKIOYAOWSJC-MOPGFXCFSA-N 355.478 4.353 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)s1 223331128 IVVBTKXFZDJSIX-DLBZAZTESA-N 355.488 4.217 0 40 FIAB O=C(COc1cccc(Cl)c1)NCCOc1ccc2ccccc2c1 223638902 IVUGJISBKGMVCW-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)n1C 224394420 ATIZDLCIVDVZHQ-MOPGFXCFSA-N 366.465 4.045 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1F 225115505 SZLKDLSQZNIEJT-UHFFFAOYSA-N 371.433 4.326 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1C 225201337 WWXRIVKRFUAODS-UHFFFAOYSA-N 367.470 4.365 0 40 FIAB COC(=O)c1cc2cc(NC(=S)NCCc3ccccc3)ccc2s1 225212792 VRJXASRZKXWYFP-UHFFFAOYSA-N 370.499 4.217 0 40 FIAB S=C(NC[C@H]1CCCO1)Nc1ccc(CSc2ccccc2)cc1 225318506 MGWWPWHBKWGEBA-QGZVFWFLSA-N 358.532 4.444 0 40 FIAB CCO[C@@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@H](C)C1 225719110 QLOPCUSRHJTGRN-LIRRHRJNSA-N 369.889 4.289 0 40 FIAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(-c3cccs3)[nH]n2)n1 329085192 GFTPSAFPKGXACK-CQSZACIVSA-N 358.492 4.271 0 40 FIAB Cc1ccc(-c2cc(-c3nc(-c4cccc5nc(C)[nH]c45)no3)n[nH]2)cc1 551429226 JBUJTZFJYGVRDQ-UHFFFAOYSA-N 356.389 4.287 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(O)nc2ccc(F)cc12 606161838 QLJUXUUZDCZGLR-UHFFFAOYSA-N 364.829 4.457 0 40 FIAB CCc1c[nH]c2ncnc(NC[C@H](Cc3ccccc3)c3ccccn3)c12 1655956110 YZDIKRDORDGDMP-SFHVURJKSA-N 357.461 4.354 0 40 FIAB c1ccc(-c2csc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1 641436 PZEHHMVTQROTOJ-UHFFFAOYSA-N 373.485 4.080 0 40 FIAB CCOC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(Cl)c1 676403 ZMODBLJOKXLGDW-UHFFFAOYSA-N 373.865 4.243 0 40 FIAB [O-][n+]1oc2c(Br)cc(Br)cc2c1-c1ccccc1 692270 JNTNQTIXUXAKRE-UHFFFAOYSA-N 369.012 4.258 0 40 FIAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nccs3)cc2)n1 818567 QEIIEMWPNLRNQX-UHFFFAOYSA-N 356.476 4.095 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861390 OAXAJLFDFKKHHC-LJQANCHMSA-N 366.417 4.058 0 40 FIAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1 936310 WSPHABKGSPCISA-RIYZIHGNSA-N 354.450 4.202 0 40 FIAB O=C(NCCc1ccccc1)c1cccnc1Nc1cccc(Cl)c1 1376156 ZLBRBJWMORTLQD-UHFFFAOYSA-N 351.837 4.451 0 40 FIAB CC(=O)OC[C@]12CO[C@H](c3ccc(OC(C)=O)cc3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 2134602 RJNYTRPEECCIOJ-PINUVKFMSA-N 372.461 4.081 0 40 FIAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 2158696 GHBABYDCQLXLTJ-RBUKOAKNSA-N 371.502 4.224 0 40 FIAB COc1ccc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)c(OC)c1 2465880 GPWATTMJUOYQSN-GFCCVEGCSA-N 358.438 4.095 0 40 FIAB CCOc1ccc(C(=O)C[C@@H](C(=O)OC)c2c[nH]c3ccccc23)cc1 2549890 ZSWBDPFQELWOND-QGZVFWFLSA-N 351.402 4.096 0 40 FIAB Cc1ccc2c(COC(=O)c3cc(C)nc4ccccc34)cc(=O)oc2c1 2636014 UJJWGEHPRLVHNA-UHFFFAOYSA-N 359.381 4.315 0 40 FIAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)NCCC1=CCCCC1 2725873 RBPDJRPITHIMHU-CQSZACIVSA-N 357.479 4.224 0 40 FIAB COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CC[C@@H](C(C)(C)C)C2 2748535 DLUOMOAAYVCOQZ-MRVPVSSYSA-N 363.401 4.187 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3cc2O)cc1 3292162 DLBAUFWGPZDZIB-CQSZACIVSA-N 363.413 4.292 0 40 FIAB COc1cc(C(=O)Nc2ccc(C)cc2Br)cc(OC)c1C 3603664 JYLUXYOXIPNLFD-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB CCOc1ccc(-c2nnc3n2N[C@@H](c2ccc(Cl)cc2)S3)cc1 3843252 OAPRHWLBEXBAAV-MRXNPFEDSA-N 358.854 4.345 0 40 FIAB biogenic Cc1ccc2nc(N(CCCN(C)C)C(=O)Cc3ccccc3)sc2c1 4359554 XQRUSRSGFCWQMZ-UHFFFAOYSA-N 367.518 4.132 0 40 FIAB CC(=O)O[C@@H]1CCC2=C(CC[C@H](F)[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C1 4962084 SACAISKSNDEHAS-WJLQRVHBSA-N 350.474 4.334 0 40 FIAB CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@@H]1C 5047935 QLRZGUBJCXPDGG-NPPFBWRTSA-N 367.574 4.255 0 40 FIAB CCOC(=O)/C(=C\c1ccc(C)s1)c1nc2sc(C)c(C)c2c(=O)[nH]1 5071048 YESLDFNSUBVGDG-JYRVWZFOSA-N 374.487 4.075 0 40 FIAB Cc1cccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)c1 5169698 QPNMAYWVSJBNEB-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB Cc1cccc(NCc2n[nH]c(SCC(=O)c3ccc(Cl)cc3)n2)c1 5448394 GNNKTPICQWUJGQ-UHFFFAOYSA-N 372.881 4.354 0 40 FIAB COc1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1F 6580462 CETYAFGSCCARCR-UHFFFAOYSA-N 366.421 4.256 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2c(Cl)cccc2Cl)N3)C1 6857656 LPKXNFGEPFTXQX-CQSZACIVSA-N 368.289 4.472 0 40 FIAB COc1ccccc1CC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 6970974 LQZDTLYRJKHWJZ-UHFFFAOYSA-N 371.440 4.500 0 40 FIAB FC(F)SCc1ccc(CNC2CCN(Cc3ccccc3)CC2)o1 7003016 VWNGHXBOUQDCPN-UHFFFAOYSA-N 366.477 4.490 0 40 FIAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1cccc(Cl)c1 7360231 XQOIFOTXAIZVQM-UHFFFAOYSA-N 357.885 4.011 0 40 FIAB COc1ccc(CCNC(=S)Nc2cccc(Cl)c2C)cc1OC 7520935 HHGCAGBLCRNKGX-UHFFFAOYSA-N 364.898 4.195 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2)c1 7716639 PQDUKLXHYDSKFP-SFHVURJKSA-N 374.868 4.133 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CC2CCCC2)cs1 7783874 ZXQRQHFIFXXBKY-UHFFFAOYSA-N 358.463 4.451 0 40 FIAB CC1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)CC1 7882044 GIYDDDAWBNYBQL-LXVYMNJGSA-N 369.292 4.041 0 40 FIAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1ccc2c(c1)CCC2 8312190 MRAQUTOWWFLGCO-NSHDSACASA-N 355.488 4.385 0 40 FIAB C[C@H]1CC(=O)c2c(OCC(=O)N[C@H]3CCCc4ccccc43)ccc(F)c21 8324552 LPLDOKXHHSWTSC-GUYCJALGSA-N 367.420 4.088 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(Cl)c2C)n1 8476690 CQIGBLOCBVNGNZ-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 9198930 CKLJDWNXJOGRMW-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB Clc1cc2c(c(CSc3nc(-c4cccs4)n[nH]3)c1)OCOC2 9313848 DBRZAZRFRRZUBE-UHFFFAOYSA-N 365.867 4.345 0 40 FIAB CN1C(=O)CCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 9827731 ZUSOUJBREPFUQS-UHFFFAOYSA-N 370.452 4.444 0 40 FIAB CCN(CC)Cc1ccccc1CNC(=O)Nc1nc2ccccc2s1 10283376 PMDIBTDLABUAQW-UHFFFAOYSA-N 368.506 4.460 0 40 FIAB COCCn1c(SCCOc2cccc(C)c2C)nc2ccccc21 12062279 OUXGGLDZGFWKQJ-UHFFFAOYSA-N 356.491 4.471 0 40 FIAB O=C1C[C@@H](c2nc(-c3ccccc3F)no2)CN1c1cccc(Cl)c1 12416187 XSFRVOLZQCRDBF-LLVKDONJSA-N 357.772 4.050 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)N1CCC(c2nc3ccccc3o2)CC1 12547838 VZPQNOXQWQZMNR-UHFFFAOYSA-N 374.444 4.043 0 40 FIAB C[C@@H](SCc1ccc(Br)cc1)C(=O)Nc1cccnc1 12606828 VXHVMOZYTGIBGP-LLVKDONJSA-N 351.269 4.105 0 40 FIAB CN(Cc1ccccc1Cl)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12796039 SMZORUYVRMHKEA-UHFFFAOYSA-N 365.864 4.287 0 40 FIAB O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12861520 YCQNEGWOHHZVJA-MDZDMXLPSA-N 368.864 4.231 0 40 FIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1COc2ccccc2C1 12920213 WTINKNARIXCGAN-CYBMUJFWSA-N 372.396 4.278 0 40 FIAB SC1=N[C@@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 13635986 LZYZYGLFWUPFCS-VQIMIIECSA-N 367.499 4.307 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 13649227 ZWBKCCRGTPJKOO-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB Cc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc4ccccc4c3)c2c1 13961557 XPSGGCQHGRAWIT-UHFFFAOYSA-N 364.470 4.151 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N(Cc1cccs1)Cc1cccs1 14140884 JMGUGDICEXBDSE-UHFFFAOYSA-N 357.456 4.381 0 40 FIAB Cc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 14258117 XIAXXYOFQOXRBB-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(-c2ccccc2)cc1 14390184 XHCPOQNNDLLPFT-UHFFFAOYSA-N 373.452 4.326 0 40 FIAB COc1cc(CNC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F 18174866 FDGIUJJPBGFTTP-UHFFFAOYSA-N 356.756 4.272 0 40 FIAB CN1CCCCC[C@@H]2N(C(=O)c3ccncc3)[C@H](c3ccccc3)C[C@@]21C 19713524 FRQSIJHEUCURCT-FUDKSRODSA-N 363.505 4.302 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 19933678 IVAOPUQKPGKZBW-QGZVFWFLSA-N 352.478 4.488 0 40 FIAB COc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20141400 FKTJDODEHIYIIS-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCCSc2ccc(C)cc2)cc1 22534355 MMUMECVEJDJSLV-OAHLLOKOSA-N 361.532 4.393 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1ccc2ccccc2c1 27322635 ANOQGYOFBFTXMC-OAHLLOKOSA-N 367.470 4.124 0 40 FIAB CCCCNC(=O)Nc1ccc(-n2nc(C)c(Br)c2C)cc1 27924648 CBBIITUIJDXDEG-UHFFFAOYSA-N 365.275 4.173 0 40 FIAB O[C@H](CNCc1ccccc1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296789 GINHOOKSTSSBFI-QGZVFWFLSA-N 368.908 4.324 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)cc1 28540272 ZTDRTMVBTLHQII-SFHVURJKSA-N 354.402 4.322 0 40 FIAB biogenic,in-vitro O=S(=O)(NCc1ccccc1)c1ccc(Cl)c(Cl)c1Cl 30768850 RHFPSQHGXACMEV-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2noc(-c3ccc(F)cc3)n2)cc1 32622732 MSJLJGVWTRPUAQ-UHFFFAOYSA-N 355.369 4.017 0 40 FIAB CC[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)cc2C1 32707935 VKXMISGXUUOCQT-ZIAGYGMSSA-N 357.475 4.447 0 40 FIAB COc1cc(C(=O)NCCC2=CCCCC2)ccc1OCc1cscn1 32779799 LNVANHRPPLVGGL-UHFFFAOYSA-N 372.490 4.351 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1O 36357737 SBSPBTWGEOVJQU-AWEZNQCLSA-N 369.808 4.364 0 40 FIAB CCOc1ccccc1NC(=O)Nc1sc2c(c1C(=O)OC)CCC2 36646051 NLQSKIXVHBXOAR-UHFFFAOYSA-N 360.435 4.066 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccccc2F)on1 40087705 OVJFWZPLEADIAC-UHFFFAOYSA-N 352.365 4.082 0 40 FIAB O=C(NCc1ccc(-n2cncn2)cc1)c1sc2ccccc2c1Cl 47370899 JUNGLSMCYFVGAN-UHFFFAOYSA-N 368.849 4.065 0 40 FIAB CN(C)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 58034498 WNKWCAFSFGFTKI-UHFFFAOYSA-N 374.531 4.249 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1Cl 71116150 IOJXQWMSWXQQCE-UHFFFAOYSA-N 373.815 4.198 0 40 FIAB CC(C)c1cccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)c1 71326257 YHHPQIVBJRQPTO-UHFFFAOYSA-N 355.507 4.456 0 40 FIAB CC(C)Oc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 72328203 NTVBMEHZDYVCQS-UHFFFAOYSA-N 369.852 4.447 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349084 BKRPSFBIAVLQEH-SFHVURJKSA-N 361.420 4.303 0 40 FIAB Cc1cccc(CC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2ccncc2)c1 72390616 XKGHEWBSRKFOSU-NRFANRHFSA-N 374.488 4.087 0 40 FIAB Cc1nc2ccc(N(C)Cc3csc(-c4ncccn4)n3)cc2s1 75107715 NWGIAQGSAYYANY-UHFFFAOYSA-N 353.476 4.155 0 40 FIAB O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 75165978 OCWDSBUMWJLWAD-BMGDILEWSA-N 360.429 4.158 0 40 FIAB Cc1sc2nc(Cc3cccnc3)[nH]c(=O)c2c1-c1ccc(F)cc1 77491297 GXMPACCAWRTFGP-UHFFFAOYSA-N 351.406 4.085 0 40 FIAB Cc1[nH]c(C(=O)N2CCC[C@@H]2c2ccsc2)c(C)c1C(=O)OC(C)C 84007901 IMKHEDHIODTQQT-OAHLLOKOSA-N 360.479 4.236 0 40 FIAB FC(F)(F)c1ccc(O[C@H]2COCCN(CC3CCCCC3)C2)cc1 85435948 CREFGPYFGPENAA-GOSISDBHSA-N 357.416 4.365 0 40 FIAB biogenic,in-vitro COc1ccccc1NC(=O)CNc1ccc2nc(C(C)C)sc2c1 95956013 IDRYTTVJNPXTAS-UHFFFAOYSA-N 355.463 4.479 0 40 FIAB COCCn1c(C(=O)Nc2ccc(F)cc2)cc2c1c1ccccc1n2C 96037227 RMSZRNCFGCRQLF-UHFFFAOYSA-N 365.408 4.171 0 40 FIAB Cc1ccc(NC(=O)CN[C@@H](C)c2cccc(-n3ccnc3)c2)cc1Cl 97082217 PITJSIYFBMZVMN-HNNXBMFYSA-N 368.868 4.123 0 40 FIAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 155200646 VHFXWPVSOHUREJ-KDOFPFPSSA-N 373.472 4.018 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222898763 SYGIIHQQKRTZAR-WOJBJXKFSA-N 362.502 4.255 0 40 FIAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)c(C)c1 223980193 CTHSLXTTZFNRNG-FQEVSTJZSA-N 367.489 4.319 0 40 FIAB Cc1ccccc1CSCC(=O)NCc1cccc(CN2CCCC2)c1 224591017 LOGSCBXNUCFVKG-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccc(C)c(C)c1 225153590 XKCRHWOWDAMMET-UHFFFAOYSA-N 369.490 4.396 0 40 FIAB Cc1nc2c(C(=O)N(C)[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)cccc2o1 280087913 RPCWQNLRAHCLTA-VQIMIIECSA-N 368.408 4.268 0 40 FIAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 408708375 YPHBMWXAERHYMW-UHFFFAOYSA-N 354.853 4.139 0 40 FIAB Cc1ccccc1C1CC(N(C(=O)c2ccc(CN(C)C)nc2)C2CC2)C1 1634797862 NUWZVSXGRSQONW-UHFFFAOYSA-N 363.505 4.002 0 40 FIAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2649057 ILFVOWNYBBGETN-GFCCVEGCSA-N 357.460 4.450 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 1943849 CXOGXIWHKPFMDB-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccccc4n3)c2)cc1 3120974 MPQVQJMAHNSWGW-UHFFFAOYSA-N 363.442 4.111 0 40 FIAB NC(=O)c1cc(N2CCCCC2)ccc1NCc1c(F)cccc1Cl 22421281 VHSQDDGGGBJODH-UHFFFAOYSA-N 361.848 4.180 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 7928127 YBMTZCXEAKAPPB-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1F 12226140 UIVRPLBUSBDINQ-UHFFFAOYSA-N 366.314 4.445 0 40 FIAB CCOc1ccc(Cl)cc1CNn1c(-c2ccccc2)n[nH]c1=S 8324603 UKIAGJBRTVTBTH-UHFFFAOYSA-N 360.870 4.403 0 40 FIAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(C2CCCCC2)c1C 12372581 SEVQPCKEKNXGLM-UHFFFAOYSA-N 350.459 4.164 0 40 FIAB COc1ccc(CCC(=O)Nc2cccc(-c3nc(C)co3)c2)cc1F 84265450 XIOMWYGHWPSAEO-UHFFFAOYSA-N 354.381 4.369 0 40 FIAB O=C(NCc1ccccc1)Nc1cccc(COC[C@H]2CCCCO2)c1 47626589 HBMRVNFYIGTZAI-HXUWFJFHSA-N 354.450 4.094 0 40 FIAB CN(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 1132120 PQBYPAIBBCWHEY-OUKQBFOZSA-N 357.413 4.387 0 40 FIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCCCC3)c12 24257870 VPQNCYDUYZNQTR-UHFFFAOYSA-N 354.479 4.021 0 40 FIAB O=C1c2ccccc2C(=O)N1CCc1csc(-c2cccc(Cl)c2)n1 1385112 SHNQBPVBGJCXEW-UHFFFAOYSA-N 368.845 4.302 0 40 FIAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c(C)c1 12590581 ZZAFYXCRKKAPDV-UHFFFAOYSA-N 365.521 4.364 0 40 FIAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)c(F)c1 24933498 WKHOOYKXABZIKX-IBGZPJMESA-N 367.399 4.017 0 40 FIAB CC(C)OC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1 1938911 VWRVUUOJMYLQMK-ZDUSSCGKSA-N 361.825 4.311 0 40 FIAB CCNC(=O)Nc1cccc(NC(=O)CCc2nc3ccccc3s2)c1 58202920 ZHMOCJRKLMTNHQ-UHFFFAOYSA-N 368.462 4.009 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c1 3304291 SKUDEFNJAUEYBH-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4ccccn4)c(C)c3cc12 8764767 LITOJBATYHOHRF-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB biogenic CCOC(=O)C1=C(N(CC)C(C)=O)c2ccccc2CC12CCCCC2 2227697 MIGVFUUZMVCMFL-UHFFFAOYSA-N 355.478 4.336 0 40 FIAB Nc1nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2n1 2270587 QBKCXGFZVQOEMA-UHFFFAOYSA-N 356.216 4.347 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 28291530 JVMREVHFTMUTPV-SFHVURJKSA-N 372.534 4.025 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(F)c(F)c3)c(=O)oc2c1 12770204 PEMFFWWMOBUCOA-UHFFFAOYSA-N 357.356 4.259 0 40 FIAB NC(=O)c1ccsc1NC(=O)CC(c1ccccc1)c1ccccc1 8749014 KPEAHMIFMJZIOH-UHFFFAOYSA-N 350.443 4.008 0 40 FIAB O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccccc1 12852508 KJFMPIFMQZJTHX-UHFFFAOYSA-N 350.397 4.063 0 40 FIAB COc1cccc(CN(C)CC(=O)Nc2cc(Cl)cc(Cl)c2)c1 3584080 YVAXKAPUQLQQAY-UHFFFAOYSA-N 353.249 4.073 0 40 FIAB COCCN(Cc1cccs1)C(=O)c1csc(-c2ccc(C)cc2)n1 12997656 KYEGSXGTMGWAEV-UHFFFAOYSA-N 372.515 4.469 0 40 FIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)cc1 4121723 ZJGZNGOPWMRDGK-WSBRVHRESA-N 359.425 4.489 0 40 FIAB Cc1nc2sc3c(=O)n(Cc4ccccc4)cnc3c2c2c1CCCC2 9420694 DJFPQOUQHMEQGS-UHFFFAOYSA-N 361.470 4.242 0 40 FIAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(Cl)cc1Cl 6375738 SLMKXISUPIYAHV-UHFFFAOYSA-N 352.217 4.108 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc(I)cc1F 408619956 DWXQKDGYACKTNQ-RMKNXTFCSA-N 367.161 4.082 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4732047 NNKQBHFMETZZNY-CABCVRRESA-N 354.425 4.331 0 40 FIAB Cc1nc(S[C@H](C)C(=O)NCc2ccco2)c2c(C)c(C)sc2n1 4799385 BJKQRFSWHSGARV-LLVKDONJSA-N 361.492 4.007 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)N1CCN(c3cccc(Cl)c3)CC1)n2C 4749270 RGLLJZJGWBYWMD-UHFFFAOYSA-N 367.880 4.103 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1ccc(-c2nnc3n2CCCC3)cc1 66803307 JMDCOWURZXDRQY-UHFFFAOYSA-N 366.852 4.116 0 40 FIAB Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)c1 67259342 IQEBTXCWAHJYDY-UHFFFAOYSA-N 373.481 4.441 0 40 FIAB CCCn1nccc1C(=O)Nc1c(C)nn(Cc2cccc(Cl)c2)c1C 28242223 WXWFMYYFFWWKIF-UHFFFAOYSA-N 371.872 4.060 0 40 FIAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC2(CCCCC2)C1 96003915 KNYHRXVOIPPWOG-UHFFFAOYSA-N 357.885 4.300 0 40 FIAB CSc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 16101263 ZHUPWVRWCXCTNZ-UHFFFAOYSA-N 363.382 4.108 0 40 FIAB CNc1snc(C)c1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 16552798 GPUGNGJSPJDLJQ-UHFFFAOYSA-N 363.826 4.159 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(-n2cnc3ccccc32)cc1 8162794 FIISCTDMSZGHLB-UHFFFAOYSA-N 357.369 4.007 0 40 FIAB O=C(C[C@@H]1OCCc2ccccc21)NCc1ccc(Oc2ccccc2)nc1 95397462 LYMUSERATURYAW-NRFANRHFSA-N 374.440 4.194 0 40 FIAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(-c3cccc(F)c3)s2)N1 95938978 FZLHDOSZKRYBFT-QGZVFWFLSA-N 363.421 4.000 0 40 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O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(F)c(F)c1 51364512 OWOUQYUWGMAQPL-OAHLLOKOSA-N 366.367 4.123 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364431 NHYUVHJGFKPMDR-LJQANCHMSA-N 358.441 4.408 0 40 FIAB CC1(C)CC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC(C)(C)N1 32862289 PDPJEQODQJOZLT-UHFFFAOYSA-N 359.392 4.016 0 40 FIAB COc1ccc(NC(=O)c2ccc(C)cc2C)cc1N1CCCCC1=O 32924854 ICPYICBALQZGSE-UHFFFAOYSA-N 352.434 4.081 0 40 FIAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1Cl 712207 ICUHQGMRENDJCB-AWEZNQCLSA-N 367.257 4.435 0 40 FIAB COc1ccc(OCC(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 848376 MJCSJUVGMSWMFN-UHFFFAOYSA-N 368.458 4.068 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1 1221461 ACKLDAHZVIWOKK-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364464 KZHULJWHXMBXFO-LBPRGKRZSA-N 373.865 4.471 0 40 FIAB Cc1cc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)F)nc(N)n1 1408033 REJJSRGOMQEZPA-UHFFFAOYSA-N 369.350 4.392 0 40 FIAB 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CCCc1ccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)s1 12330697 XKHLCQAITWWSCZ-UHFFFAOYSA-N 374.525 4.467 0 40 FIAB CC(=O)c1ccc(Nc2nnc(-c3cccc(Br)c3)o2)cc1 12533921 GDLKRZIGLHERML-UHFFFAOYSA-N 358.195 4.445 0 40 FIAB C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 12540919 LSNNUMHIVMQLOH-CYBMUJFWSA-N 370.250 4.126 0 40 FIAB Cc1[nH]c(=S)sc1CC(=O)NCCc1ccc(C(F)(F)F)cc1 12793254 CZMDHROOUYPBAI-UHFFFAOYSA-N 360.426 4.034 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C 12982459 DYZSHJJIMMWXIW-HNNXBMFYSA-N 350.466 4.026 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1 13613731 JCWNFAVCGMRMBP-UHFFFAOYSA-N 366.461 4.414 0 40 FIAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OC 13915022 SOVIUZFZDVYORO-JYRVWZFOSA-N 374.234 4.349 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1C(C)C 13995567 LBFMVNNITOFMGP-UHFFFAOYSA-N 373.309 4.459 0 40 FIAB Cc1sc(NC(=O)[C@@H]2C[C@@H]2C)nc1-c1ccc(Br)cc1 14911543 JYEHXPLHMRGHRV-QPUJVOFHSA-N 351.269 4.476 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(Cl)nc3)cc2)cs1 15240161 YHYFVCBDOIQJBP-UHFFFAOYSA-N 357.866 4.139 0 40 FIAB COC(=O)c1ccccc1Nc1c(-c2ccc(O)cc2)nc2ccccn12 15414454 SEBXBZDJTDTWFO-UHFFFAOYSA-N 359.385 4.237 0 40 FIAB Cc1nc(CNC(=O)c2oc3ccc(Br)cc3c2C)cs1 15832310 ONYYTSLOVQNRGO-UHFFFAOYSA-N 365.252 4.199 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2ccccc2c1 16087240 FVRODXKLTRDVPT-NSHDSACASA-N 365.376 4.297 0 40 FIAB Clc1ccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]n2)cc1 16846805 JDBMGFUFNZKBJG-UHFFFAOYSA-N 366.764 4.176 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 17370536 BVCDEYOYQKGRHS-UHFFFAOYSA-N 351.450 4.134 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@H](C)n2ccnc2C(C)C)c2cccnc2)cc1 19136597 IJJOHLAXJREWSS-FXAWDEMLSA-N 362.477 4.177 0 40 FIAB c1ccc(CNc2nnc(-c3ccsc3)c(-c3ccsc3)n2)nc1 19401964 GBRGVGWGBAYRAQ-UHFFFAOYSA-N 351.460 4.336 0 40 FIAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)cc12 19568362 IFABUVQSZISBKP-AWEZNQCLSA-N 374.444 4.073 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20049521 QVZRELUWXGJHTK-WOJBJXKFSA-N 357.450 4.129 0 40 FIAB OCc1cc(Br)ccc1OCc1cccc(Br)c1 20362787 LYPQACXPMWMIPB-UHFFFAOYSA-N 372.056 4.283 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN1C(=O)c1cccs1 20400239 JJXIBEOFJNGLHO-CYBMUJFWSA-N 369.273 4.298 0 40 FIAB CC(C)c1ccc(OCC(=O)N(C)C2CCCC2)c(Br)c1 20452335 NLGJNGULDKXAPA-UHFFFAOYSA-N 354.288 4.352 0 40 FIAB CCN(Cc1cccs1)c1nc(C)nc2sc(C(=O)OC)c(C)c12 22808246 IHXNZWSXYZHAQN-UHFFFAOYSA-N 361.492 4.183 0 40 FIAB CN(Cc1nccn1C(F)F)C(=O)c1sc2ccccc2c1Cl 29182562 GWBOKEAGUMNPKH-UHFFFAOYSA-N 355.797 4.419 0 40 FIAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1 31860856 NRMLCSNFBPYZRW-ZLUZWTFRSA-N 367.445 4.006 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1cncn1-c1ccc(F)cc1 32517921 LOFFMWWHQLWIQF-UHFFFAOYSA-N 359.788 4.234 0 40 FIAB O=S(=O)(c1ccc(F)cc1Cl)N(Cc1ccco1)Cc1ccco1 32759047 CUGYIYIQTLBZLF-UHFFFAOYSA-N 369.801 4.056 0 40 FIAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2c(F)cccc2s1 36727131 BIMRAPXRVVPRKO-UHFFFAOYSA-N 370.449 4.314 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 38857725 KDIKCGDLFQIWJF-MRXNPFEDSA-N 365.477 4.129 0 40 FIAB CCCSc1nnc(NC(=O)COc2cc(C)ccc2C(C)C)s1 39989172 NFBRVYXIKUOURG-UHFFFAOYSA-N 365.524 4.490 0 40 FIAB COc1ccc(C2=CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 40119692 SOTUWPASEOZQPY-UHFFFAOYSA-N 359.372 4.226 0 40 FIAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2ccc(OC3CCCC3)cc2)n1 40120622 IFKQQMKQYVFYCS-OAHLLOKOSA-N 370.497 4.279 0 40 FIAB COC(=O)c1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1 40132886 QRRDRTQMSHARTM-UHFFFAOYSA-N 363.335 4.085 0 40 FIAB COc1cccc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)c1 43277668 DWWIMYJOXWTIFQ-UHFFFAOYSA-N 353.441 4.123 0 40 FIAB COC(=O)c1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 48365583 RABBQPMXDQLSTJ-UHFFFAOYSA-N 353.205 4.102 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)C1 57761943 DLVCWVSJJCRBNK-ZIAGYGMSSA-N 351.429 4.155 0 40 FIAB COc1ccc(COC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1OC 59271768 OSZVWEGLBDKCOE-UHFFFAOYSA-N 360.454 4.136 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1 61212229 OLPJUZXLBBYIQZ-HXUWFJFHSA-N 368.477 4.434 0 40 FIAB CC(C)(C)c1cc(NC(=O)c2cc(F)cc3[nH]cnc23)n(C(C)(C)C)n1 66664498 AVYGWOVUPHOECP-UHFFFAOYSA-N 357.433 4.203 0 40 FIAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccc(C2SCCS2)c1 69329344 QTPZTUBJOOKJQG-CJNGLKHVSA-N 367.536 4.078 0 40 FIAB Cc1csc(C(=O)Nc2nnc(SCc3csc(C)n3)s2)c1 70635020 VVHJDYIPUZGMQO-UHFFFAOYSA-N 368.534 4.218 0 40 FIAB c1ccc(Cc2nnc(SCCN3CCCC3)n2-c2ccccc2)cc1 71415902 LSVRPFYYOKVMCU-UHFFFAOYSA-N 364.518 4.046 0 40 FIAB CCOc1ccccc1CNC(=O)c1cc(OC)c2cc(F)cc(C)c2n1 72329500 WTUILTJIYUQVSO-UHFFFAOYSA-N 368.408 4.020 0 40 FIAB OC1=Nc2ncn(-c3ccc(F)cc3)c2[C@@H](c2ccc(O)cc2)SC1 79480924 JNNPLBDLNTZRTC-QGZVFWFLSA-N 355.394 4.141 0 40 FIAB CS[C@H]1CCC[C@H](NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 83854308 MZOQUGZPPZSUKI-ICSRJNTNSA-N 369.534 4.219 0 40 FIAB CN(C)C1CCN(c2ccc(Nc3ncnc4ccc(F)cc34)cc2)CC1 89266948 OQDBDESYUCBLCB-UHFFFAOYSA-N 365.456 4.043 0 40 FIAB CC(=O)Nc1nc(CF)c(-c2ccnc(C(C)(C)C(F)(F)F)c2)s1 95629732 RPNZZMDTYLPKSL-UHFFFAOYSA-N 361.364 4.473 0 40 FIAB CCN(C(=O)c1csc(I)c1)c1ccccc1 95952914 PYNDKMCBJJKFLF-UHFFFAOYSA-N 357.216 4.019 0 40 FIAB CCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21 100702901 WRVWDCHYKRVCAV-UHFFFAOYSA-N 368.408 4.289 0 40 FIAB CSc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102675777 IIQWAZWZMBKQFM-HNNXBMFYSA-N 358.492 4.393 0 40 FIAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927643 IMCAGDYYNWESSO-GOICSCRBSA-N 374.521 4.203 0 40 FIAB CC(C)(C)SCCNC(=O)CCCN1C(=O)c2cccc3cccc1c23 219458801 QUDBVLBBFWQBKT-UHFFFAOYSA-N 370.518 4.228 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)c1cn2c3c(cccc3c1=O)CC2 223092277 KOTWVSCIARBZPI-UHFFFAOYSA-N 359.212 4.117 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223175272 XPRQLJGVMBQKRC-PMACEKPBSA-N 371.477 4.437 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cc1)CCCC2 224506756 SPSIHENFRBIZAB-UHFFFAOYSA-N 351.855 4.028 0 40 FIAB CCCOCc1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OCC 224707368 AYSIOEDITBZMFY-UHFFFAOYSA-N 373.449 4.281 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SC(C)C)s1 224853308 HRNFXNTUFWKZEC-CYBMUJFWSA-N 351.497 4.143 0 40 FIAB CC(C)CSc1nnc(NC(=O)c2ccccc2Br)s1 225311698 JSVBTXDRXJNXNW-UHFFFAOYSA-N 372.313 4.301 0 40 FIAB CCO[C@@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@@H](C)C1 225719050 QLOPCUSRHJTGRN-KUHUBIRLSA-N 369.889 4.289 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(Cl)c1 225785364 OSOSIWCNUDGJKE-GFCCVEGCSA-N 350.871 4.103 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OCC)ccc1O[C@@H](C)CC 225816864 KJEHDWTXFPGDEI-VBKZILBWSA-N 365.470 4.184 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3CCC[C@@H](C)C3)c(C)cc2N)cc1 226331320 RICCCCXUJBAOPS-CQSZACIVSA-N 353.466 4.074 0 40 FIAB COc1ccc(-c2cc(C)nc(SCC(=O)NC3CCCCC3)n2)cc1 408546235 FJMPIPMFPZDFPJ-UHFFFAOYSA-N 371.506 4.002 0 40 FIAB CC(C)c1ccc(C2(O)CCC(N[C@H](c3nccn3C)C3CC3)CC2)cc1 585081868 SVIWOUPSLMIEIH-QKDPSFTKSA-N 367.537 4.415 0 40 FIAB Cc1csc(C2(NC(=O)c3ncsc3C(F)(F)F)CCCC2)n1 683901940 ACWDIMPHGLDVMR-UHFFFAOYSA-N 361.414 4.126 0 40 FIAB CCCC[Sn](CCCC)(CCCC)c1nnc(C)o1 2362803221 PMPFNTFFXFCERB-UHFFFAOYSA-N 373.129 4.434 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2ccccc12 685961 PNSLZHPHJMLCBY-UHFFFAOYSA-N 355.415 4.339 0 40 FIAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)cc1 1019633 RXKIWPKNCKHTKV-UHFFFAOYSA-N 373.434 4.003 0 40 FIAB COc1cc(CC(=O)O)c(Cc2ccc3c(c2)Cc2ccccc2-3)cc1OC 1713729 PYOVLFNGMMRDKZ-UHFFFAOYSA-N 374.436 4.493 0 40 FIAB OCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 2178087 QOOVZEKTHKXNJJ-UHFFFAOYSA-N 354.277 4.435 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccn(COc2ccc(Cl)cc2)n1 2786960 PKILVTZILWVPCJ-UHFFFAOYSA-N 355.825 4.442 0 40 FIAB COc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3296690 APOZVIQLGYSNJN-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB CCOc1ccc(-c2nnc(NC(=O)Nc3ccc(F)cc3F)o2)cc1 3332285 HAQSVFMEKGDXJX-UHFFFAOYSA-N 360.320 4.058 0 40 FIAB CSc1cccc(NS(=O)(=O)c2c(F)cc(F)c(Cl)c2F)c1 3348277 VZPVBZSATLQXIL-UHFFFAOYSA-N 367.801 4.280 0 40 FIAB CCOCc1c(C(=O)OCc2ccc(OC)c(F)c2)oc2ccccc12 3546285 ZMKSDFTZGJMJKH-UHFFFAOYSA-N 358.365 4.474 0 40 FIAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O 4308456 JNDGGRCIKBWXML-QFIPXVFZSA-N 368.452 4.481 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(Br)cc1 4618279 QWAXIGVKFDBGJK-UHFFFAOYSA-N 354.269 4.121 0 40 FIAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1F 4838610 ZVOFWWDJVPXPJW-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccco1 5348708 IOLXOSZCIWGPRE-GOSISDBHSA-N 354.369 4.465 0 40 FIAB Cc1cccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 5612271 NIXJKLQMFMHCOX-UHFFFAOYSA-N 359.425 4.309 0 40 FIAB COc1cccc(-c2noc(CSc3ncnc4sccc34)n2)c1 6115339 CPSVHWPQJDEARP-UHFFFAOYSA-N 356.432 4.042 0 40 FIAB CCOc1cc(C(=O)CCC(=O)N2CCC[C@@H]2c2cccs2)ccc1O 6589434 RUUQULYDYDCVKN-OAHLLOKOSA-N 373.474 4.179 0 40 FIAB CCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C 6654676 UPDFLSYWPXPZHI-JYRVWZFOSA-N 354.233 4.076 0 40 FIAB CN(Cc1cccs1)C(=O)c1ccccc1NC(=O)c1ccccc1 6787228 MMWQUSNLYLGSFJ-UHFFFAOYSA-N 350.443 4.273 0 40 FIAB Cc1ccc(OCC(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1C 6886721 VGFKCXRMLINPGM-UHFFFAOYSA-N 366.413 4.149 0 40 FIAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(NCCc3ccco3)ncc21 6926628 KINXEALRGMJTAQ-AWEZNQCLSA-N 367.836 4.290 0 40 FIAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 7215285 WHEPPSOSZDHABL-UHFFFAOYSA-N 355.459 4.059 0 40 FIAB Cc1nc(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)nc(C)c1C 7253221 WRORXEBLJKMKOH-QAPCUYQASA-N 355.507 4.076 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 7692613 CNJGBOQUMFAEQE-OAQYLSRUSA-N 365.454 4.235 0 40 FIAB O=C(NCc1nnc2ccccn12)c1ccc(-c2ccc(Cl)cc2)s1 8343380 USOVGOXZWZTBQS-UHFFFAOYSA-N 368.849 4.041 0 40 FIAB CC[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 8734977 CMLSJDSDXGZUAJ-YOEHRIQHSA-N 374.893 4.410 0 40 FIAB CC(C)(C)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12 9108075 KUDOOHPBIYNRGQ-UHFFFAOYSA-N 355.369 4.204 0 40 FIAB COc1cccc2s/c(=N/C(=O)c3cccc(C(F)(F)F)c3)n(C)c12 11853034 RYFIVQJUZDGIKR-LTGZKZEYSA-N 366.364 4.008 0 40 FIAB O=C(CCCc1cccs1)Nc1cccc(Cl)c1N1CCOCC1 12542353 FDIAMEKCHAXIRW-UHFFFAOYSA-N 364.898 4.200 0 40 FIAB O=C(NCc1nc2ccccc2[nH]1)c1cc2c(s1)-c1ccccc1OC2 12575712 MMJFMZONCMIMRM-UHFFFAOYSA-N 361.426 4.114 0 40 FIAB O=S(=O)(c1ccc(F)cc1)N(Cc1cccs1)Cc1cccs1 12821955 OEQYFROHSWOKPF-UHFFFAOYSA-N 367.492 4.340 0 40 FIAB COc1cc(/C=C/C(=O)NCCSCc2ccc(C)cc2)cc(OC)c1 12919663 KEVDVBRZBJXXKH-CMDGGOBGSA-N 371.502 4.075 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3F)s2)cs1 12993995 JEMGUEDVDIBEKW-UHFFFAOYSA-N 364.442 4.431 0 40 FIAB O=C(O)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 15019250 GTSBLULVMJNYDP-NTEUORMPSA-N 359.790 4.279 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2ccccc2oc1=O 15094218 QNIFNNGOJVDYLD-LBPRGKRZSA-N 364.426 4.236 0 40 FIAB COc1ccc([C@@H]2NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1OC 16805897 HNUNNITTYQNNKC-YZIPPPLESA-N 361.850 4.260 0 40 FIAB C[C@H](Sc1nnc(NC2CC2)s1)c1nnc(-c2cccs2)o1 17832303 KJIGXKPNQODWDO-ZETCQYMHSA-N 351.482 4.077 0 40 FIAB Clc1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCNC3)n2)cc1 19335646 FMMNBAMVBVNZET-HNNXBMFYSA-N 365.868 4.403 0 40 FIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccco3)cc2)C1 20488582 IETSQEIOQPGYDZ-QGZVFWFLSA-N 372.534 4.175 0 40 FIAB CCCCOc1ccc([C@H](O)[C@H](CN2CCOCC2)c2ccccc2)cc1 20790296 AFMFNWNIOFULQN-PKTZIBPZSA-N 369.505 4.015 0 40 FIAB COc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)no2)cc1 20896721 UJSJPYORKCXJRU-UHFFFAOYSA-N 374.190 4.332 0 40 FIAB CN(C)C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 21835674 PVSYMFXIUKBAGQ-MRXNPFEDSA-N 352.265 4.418 0 40 FIAB Cc1ccc(-c2cs/c(=N\c3ccccc3C)n2N2CCOCC2)cc1 22761474 PNEODCXPQVXSBP-DQRAZIAOSA-N 365.502 4.034 0 40 FIAB CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 27061561 CBVCVQDRBMLLMH-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB CCc1ccc(OCC(=O)N(Cc2cccc(F)c2)c2ccccn2)cc1 28403733 AUUFFSIACJUBEU-UHFFFAOYSA-N 364.420 4.395 0 40 FIAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 30946542 YPAYAYOKUDKWJJ-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCSCc1ccco1 31251977 FJBIYYKSOGRUEN-ZDUSSCGKSA-N 353.871 4.058 0 40 FIAB COc1ccc(OC)c(CN(C(=O)[C@@H]2CCCc3ccccc32)C2CC2)c1 32800813 UWVADBJKPLPJSM-OAQYLSRUSA-N 365.473 4.315 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(C)ccc3OC=C2)cc1 33321274 HDIGIMVKBFVTMQ-UHFFFAOYSA-N 363.413 4.490 0 40 FIAB COc1ccc(N2CN(CCc3ccccc3)CN=C2c2ccccc2)cc1 38784182 OOGTWLQIYYWUKH-UHFFFAOYSA-N 371.484 4.422 0 40 FIAB Cc1noc(CSc2ccccc2C(=O)N2CCCc3ccccc32)n1 40042975 NXGUIFXROSNJHF-UHFFFAOYSA-N 365.458 4.263 0 40 FIAB CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccncc1 40068923 RHFBHNGAQSFFAM-LPHOPBHVSA-N 368.477 4.368 0 40 FIAB CN(C(=O)c1nc(NCCc2ccccc2)ncc1Cl)c1ccccc1 40130799 OYWDSIOEOONSFD-UHFFFAOYSA-N 366.852 4.061 0 40 FIAB O=C(Nc1nc2c(s1)CCC2)C1(c2ccc(Br)cc2)CC1 41907092 PJWUXXZORSWKDX-UHFFFAOYSA-N 363.280 4.065 0 40 FIAB CCc1noc([C@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)n1 42651545 YWYCQAZQIYRCIT-JTQLQIEISA-N 361.496 4.064 0 40 FIAB Cc1cc(C)c2nc(NC(=O)c3csc(-c4ncccn4)n3)sc2c1 47195933 QGQMDXJQCDXVLZ-UHFFFAOYSA-N 367.459 4.079 0 40 FIAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CC[C@H](NC(=O)C3CCCCC3)[C@@H](C)[C@H]21 49172040 ODXYRJZINXUHHD-IYGODTBCSA-N 361.526 4.075 0 40 FIAB biogenic,in-vitro COc1ccc(C2(CNS(=O)(=O)/C=C/c3ccccc3)CCCC2)cc1 49521512 QEYNFKNPDRFCDO-DTQAZKPQSA-N 371.502 4.097 0 40 FIAB CC(C)(C)n1ncc2c1N=C(O)C[C@H]2c1cccc(Oc2ncccn2)c1 49550204 NGDYGJULDYTCMH-HNNXBMFYSA-N 363.421 4.344 0 40 FIAB CCCN(CCC)CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 59419000 XAPNKPOKAROVIX-RVDMUPIBSA-N 352.887 4.456 0 40 FIAB O=C(c1c(O)cc(F)cc1F)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 66044237 HYMGRPCJVUESSE-UHFFFAOYSA-N 371.305 4.494 0 40 FIAB Cc1cccc([C@@H]2CCCN2c2nc(N(C)C)cc(C(F)(F)F)n2)c1 71970483 GLCPQJBFEWWHRX-AWEZNQCLSA-N 350.388 4.211 0 40 FIAB CN(C[C@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccc1 72289574 HZFVXANSIYLEHK-CQSZACIVSA-N 367.371 4.139 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 72333912 ZLMGFJQAQDDWJY-GFCCVEGCSA-N 366.244 4.336 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C[S@](=O)c2ccc(Cl)cc2)CC1 72411073 ACYDHZUPFGKUOG-HSZRJFAPSA-N 357.903 4.095 0 40 FIAB O=C(Nc1c(F)cccc1N1CCCC1)c1ccnc(OC2CCC2)c1 89530171 ZNYKDONPFBGHPH-UHFFFAOYSA-N 355.413 4.005 0 40 FIAB O=C(N1CCCc2cc(OC(F)(F)F)ccc21)C(F)(F)c1ccccn1 89878950 QCLQAQVBFNKPOQ-UHFFFAOYSA-N 372.293 4.051 0 40 FIAB C[C@H](CC(=O)NCc1ccnc(N2CCCCCC2)c1)c1ccccc1F 89894541 HQTFBTKMNXDUDC-QGZVFWFLSA-N 369.484 4.411 0 40 FIAB Cc1nc(-c2ccc(NC(=O)NCC3([C@H](O)C(C)C)CC3)cc2)cs1 95463342 IRSYMTOLWWSUOG-QGZVFWFLSA-N 359.495 4.037 0 40 FIAB COc1cccc(N[C@@H]2COC3(CCN(Cc4ccc(F)cc4)CC3)C2)c1 96221410 JZLPMCQDUSRRMU-FQEVSTJZSA-N 370.468 4.070 0 40 FIAB COc1cccc2cc(C(=O)NC[C@@](C)(OC)c3cccc(Cl)c3)oc12 96392576 BCVVKOXOPAYTGU-HXUWFJFHSA-N 373.836 4.386 0 40 FIAB C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)c1nc2ccccc2c(=O)[nH]1 97001880 XOCHDDDORDXGLI-RYUDHWBXSA-N 361.367 4.354 0 40 FIAB O=C(c1ccccc1O)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 97102657 RVLUQZFODKNWPF-OAHLLOKOSA-N 369.808 4.073 0 40 FIAB CNC(=O)[C@]12CC[C@@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 100920652 QCZNTSNVOUYNDH-ROUUACIJSA-N 364.276 4.012 0 40 FIAB O=C(CCC(=O)N1CCCCC[C@@H]1c1ccncc1)c1ccc(F)cc1 130443139 OMMTYFYEQNEPES-LJQANCHMSA-N 354.425 4.328 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)COc1ccccc1C 219320869 MNYDLNCBOWSDHD-RDJZCZTQSA-N 361.869 4.390 0 40 FIAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 222849590 QKUYPWWXHLOSAI-HNNXBMFYSA-N 361.869 4.173 0 40 FIAB Cc1nc(NC(=S)NCc2ccccc2)c(Br)cc1Cl 223921449 OUTIREXUUHBPFD-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCCOc1ccccc1Cl 224476637 ODWJNOFQVTVDLC-UHFFFAOYSA-N 355.821 4.311 0 40 FIAB Cc1cc(NC(=S)NCCCc2ccco2)ccc1Br 225804763 TWNNJAVRKPULJT-UHFFFAOYSA-N 353.285 4.270 0 40 FIAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2cc(Cl)ccc21 225826670 YVBDLQGSGOEWCF-UHFFFAOYSA-N 370.836 4.372 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COCC(c1ccccc1)c1ccccc1 226170382 IDMDYWOMAWKGAQ-TXTKFYIRSA-N 367.533 4.459 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccc(N)cc2Br)cc1 227158430 BSDBFWJVHSHMJR-UHFFFAOYSA-N 363.255 4.172 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 408702118 CMQAYCZKEOHHAH-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@]2(O)C(F)(F)F)o1 409101278 XRSFKXZHHGJOAY-JKDFXYPNSA-N 372.387 4.113 0 40 FIAB Cc1nc(CN(C)[C@@H]2CCCN(Cc3ccc(C4CCC4)cc3)CC2)no1 512873698 DIKXOXFGGXNJEI-OAQYLSRUSA-N 368.525 4.132 0 40 FIAB Fc1ccc(CN2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 585260856 MRDULJAXHBJNIU-MRXNPFEDSA-N 369.415 4.256 0 40 FIAB CC1(C)CN(C(=O)c2cn(-c3ccccc3Cl)nn2)[C@H]1c1ccccc1 621912094 KFZRUNBREREYAG-SFHVURJKSA-N 366.852 4.144 0 40 FIAB O=c1[nH]c(CN2C[C@@H]3CCCC[C@@H]32)nc2cc(-c3ccc(F)cc3)sc12 660929206 AJKFOGAWDXAWGL-BBRMVZONSA-N 369.465 4.165 0 40 FIAB Cc1nn(C)c(C)c1CNC(=O)N[C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 678950759 VAURWXIAIMHNJG-HNAYVOBHSA-N 366.509 4.136 0 40 FIAB CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(Br)ccn1 1565504860 VPZOMAIENHNWEH-UHFFFAOYSA-N 355.154 4.148 0 40 FIAB COc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CC[C@H](C)C3)cc1 982300 BMHWPQJESDRTBL-NSHDSACASA-N 358.463 4.092 0 40 FIAB CCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccccc2C)s1 1345275 PVSOQZXCMPNJAW-UHFFFAOYSA-N 367.474 4.118 0 40 FIAB CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccc(O)cc2)C1 1609885 CYSHNJQMYORNJI-KIZRIRGWSA-N 358.478 4.461 0 40 FIAB biogenic CCOP(=O)(CCCCCCN1C(=O)c2ccccc2C1=O)OCC 1730987 CDLKNEPNIRRATK-UHFFFAOYSA-N 367.382 4.109 0 40 FIAB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)cc2)c1 2078015 VGFUHVXOVZQPOM-UHFFFAOYSA-N 373.836 4.102 0 40 FIAB CC(C)CCNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2095224 WXBYYHOMJNFDFL-UHFFFAOYSA-N 365.429 4.001 0 40 FIAB biogenic Cc1ccccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 2172577 IZHJJCMLEHXFND-JEBQAFNWSA-N 364.283 4.092 0 40 FIAB COc1ccc(C2=C[C@H](c3c(F)cccc3Cl)N3N=NNC3=N2)cc1 2236524 MDZOLPICPXNBKD-OAHLLOKOSA-N 357.776 4.127 0 40 FIAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CC(C)(C)OC4)c1 2319979 ZNYWKJLJKXQRKG-UHFFFAOYSA-N 358.488 4.270 0 40 FIAB CCOC(=O)c1cc2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)n2n1 2735635 HMLPAHIWQRCXKJ-UHFFFAOYSA-N 363.339 4.209 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)CC[C@@H](c2ccccc2)[C@@H]1C(=O)O 3097686 IEYXJQVIWCATHW-ZGXWSNOMSA-N 352.430 4.228 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(F)(F)F)cc2)cc1 3250719 SSOVOLVTABSSKD-GFCCVEGCSA-N 365.351 4.452 0 40 FIAB CN(C(=O)CSc1nnc(NC2CCCCC2)s1)C1CCCCC1 3260168 YSMKXSUQGIATLG-UHFFFAOYSA-N 368.572 4.166 0 40 FIAB Cc1ccc(CNC(=O)[C@H](C)n2c(C(F)(F)F)nc3ccccc32)cc1 4025144 JXIIANWUOISDLF-ZDUSSCGKSA-N 361.367 4.241 0 40 FIAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(Cl)cc1Cl 4487233 SQVZIHCUVAJITG-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 4684709 BYHQZRPYOFQYHS-SFHVURJKSA-N 351.381 4.027 0 40 FIAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccncc4)sc3n2)cc1 4924900 BGCCAUJOMXNARX-UHFFFAOYSA-N 364.430 4.027 0 40 FIAB c1ccc(Cc2nnc3sc(-c4csc5c4CCCC5)nn23)cc1 5032363 GHMMCPSDVMAMCU-UHFFFAOYSA-N 352.488 4.384 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2=O)c(C)c1 5441343 MVTGUCNLKUGLRR-UHFFFAOYSA-N 372.852 4.426 0 40 FIAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2c2ccco2)c(C)c1 5484230 SSSNFVWKOFYCJZ-JOCHJYFZSA-N 374.440 4.326 0 40 FIAB CCOc1ccc(-c2ncncc2Oc2ccccc2OCC)c(O)c1 5573085 FBCYFTTVJBOJPJ-UHFFFAOYSA-N 352.390 4.439 0 40 FIAB biogenic CCCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 5838858 YGTWRJXPPATPFF-GFCCVEGCSA-N 366.305 4.305 0 40 FIAB CCOc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cc1OC 5839465 WOZCVSXOLKBGKS-UHFFFAOYSA-N 353.374 4.106 0 40 FIAB CCCCCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 5978060 CDAIROZJKNAFPS-UHFFFAOYSA-N 363.266 4.085 0 40 FIAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc2c(c1)CCC2 6087335 YCDNPPBSDQPOSJ-UHFFFAOYSA-N 373.239 4.075 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 6753709 GWJJYYGWDIFVDD-ONUXSRJRSA-N 356.510 4.139 0 40 FIAB COc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1F 7361133 JBLRDJAGLGSGHL-UHFFFAOYSA-N 373.405 4.427 0 40 FIAB Cc1ccnc(NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)c1 7735011 QZRMNXMLALJPQQ-LJQANCHMSA-N 367.493 4.081 0 40 FIAB Cc1cc(Cl)c(CSc2nnc(-c3ccncc3)n2C)c(Cl)n1 8132312 FQXKSOICJQIKOJ-UHFFFAOYSA-N 366.277 4.180 0 40 FIAB Cc1cc(=O)oc2c(C)c(OC(=O)c3ccccc3OC(F)F)ccc12 8133823 HKUXMUKTGBETDI-UHFFFAOYSA-N 360.312 4.230 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)N[C@H](C)c1ccccc1)O[C@@H](C)C2 8181747 XHCKPONNVHGQQI-ZBYDSPNZSA-N 351.446 4.299 0 40 FIAB CC(C)(C)[n+]1cn(-c2ccc(Br)cc2)c(-c2ccccc2)n1 12551160 IJTVKWHWVUVWFZ-UHFFFAOYSA-N 357.275 4.344 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 12763290 NIWXSCINNZDCKK-UHFFFAOYSA-N 367.474 4.002 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1OC 12779454 CYZQQJYZXBEEFO-HNNXBMFYSA-N 361.825 4.040 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)CCNC(=O)c1cccs1 12885363 FGAWBGYVCXNTGW-UHFFFAOYSA-N 364.898 4.285 0 40 FIAB CCCC1=C(C(=O)OCC)[C@H](c2ccco2)n2c(nc3ccccc32)N1 13634826 HUOHKRKTWUTGCI-SFHVURJKSA-N 351.406 4.262 0 40 FIAB CCCCn1nc(C)c(C(=O)Nc2ccc3c(c2)OCCCO3)c1Cl 14083892 MARKCTHDGKWZHT-UHFFFAOYSA-N 363.845 4.059 0 40 FIAB O=C(CSc1ncc2ccccn12)Nc1c(Cl)cccc1Cl 14095819 YWDWADOXWXHVKT-UHFFFAOYSA-N 352.246 4.372 0 40 FIAB CC(=O)N(c1nc(COC(=O)c2occc2C)cs1)c1ccccc1F 14140204 GOGSZYQIGOVWNN-UHFFFAOYSA-N 374.393 4.225 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)NCCCCOc1ccc(Cl)cc1 14681360 TXCSXRCXCLHRJI-UHFFFAOYSA-N 373.880 4.183 0 40 FIAB CCN(C(=O)c1ccc(C(=O)OC)cc1)c1nc2cc(Cl)ccc2s1 15317764 XUHCULXFWLEVAX-UHFFFAOYSA-N 374.849 4.403 0 40 FIAB CCc1ccc(NC(=O)CCCc2nc(-c3ccc(OC)cc3)no2)cc1 15669623 SUGWLZMXHYTYPR-UHFFFAOYSA-N 365.433 4.269 0 40 FIAB Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=C1\SC(=S)N=C1O 16993779 KLSHDIDBVFYBJI-GCOCVTSNSA-N 358.488 4.327 0 40 FIAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc2c(c1)ncn2C1CC1 19714283 HFAVWMSBLILARR-UHFFFAOYSA-N 360.461 4.219 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2CN2CCCC2)cc1N1CCCC1 19716199 OILMHOIARQBTLX-UHFFFAOYSA-N 363.505 4.443 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Cl)cc1OC 19931494 NCVBQUAJZGIRJM-NSHDSACASA-N 351.855 4.477 0 40 FIAB Cc1cccnc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 21596294 DJQSNXMDODGTDB-UHFFFAOYSA-N 355.850 4.323 0 40 FIAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCc3ccsc3)n2)C1 22294660 KVFLWCVCDWKDOE-ZIAGYGMSSA-N 363.552 4.254 0 40 FIAB COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)C3CCCC3)nc12 22890401 JPBXVQPAESYDIA-AWEZNQCLSA-N 360.479 4.007 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22907808 XZCNJFNHMVXHAQ-HXUWFJFHSA-N 362.498 4.278 0 40 FIAB C[C@H]1CCCC[C@H]1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 27254067 OTPQGLXFOAOXAH-MAUKXSAKSA-N 355.482 4.081 0 40 FIAB CSc1ncc(Br)c(C(=O)Sc2ccc(C)cc2)n1 27994733 ISTLKHXFOYCFBQ-UHFFFAOYSA-N 355.282 4.202 0 40 FIAB Cc1ccc(-c2csc(NC(=O)[C@H]3Oc4ccccc4O[C@H]3C)n2)cc1 28935130 CHGIAEONHDBZMZ-UGSOOPFHSA-N 366.442 4.286 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1)c1ccccc1 30754863 ODIRIUFTUBUWTI-PBHICJAKSA-N 359.491 4.452 0 40 FIAB Cc1cc(C)cc(OCCN2CCC(C(=O)Nc3ccccc3)CC2)c1 32764844 OPJZKDJBTUVYOE-UHFFFAOYSA-N 352.478 4.033 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(Oc2cnccn2)cc1 32930797 RLXZWKMDVMDSJV-UHFFFAOYSA-N 357.772 4.243 0 40 FIAB Cc1nc2n(c(=O)c1C)CN(CCC1=CCCCC1)CN2c1ccccc1 38829854 JXZBUOCKRCNHBP-UHFFFAOYSA-N 364.493 4.119 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(F)c2)c(OC)c1 40288050 KOQKMBGGKBCTGL-OAHLLOKOSA-N 367.380 4.152 0 40 FIAB COc1cccc(Cn2cnc3c(-c4cccc(C)c4)csc3c2=O)c1 44166769 ANSLOWACLPREIX-UHFFFAOYSA-N 362.454 4.490 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 47196293 KCDIVMWOWWPORP-CQSZACIVSA-N 363.454 4.058 0 40 FIAB Cn1ccnc1-c1cnc(N2CCCCC2)nc1-c1ccc(Cl)cc1 57761996 JCBWXKBUAQZNMK-UHFFFAOYSA-N 353.857 4.188 0 40 FIAB CC(=O)N(C)c1ccc(NC(=O)c2ccc(Cl)c3cccnc23)cc1 65808389 RTPHYWXZTPUUEP-UHFFFAOYSA-N 353.809 4.123 0 40 FIAB O=C(NCCOc1cccc(Cl)c1)c1cccnc1Oc1ccccc1 69325493 CJAHTHGCXIHQJF-UHFFFAOYSA-N 368.820 4.336 0 40 FIAB COc1ccc(Cc2nn3c(Cc4ccccc4Cl)nnc3s2)cc1 71285400 AWKMUEUXQCMZEL-UHFFFAOYSA-N 370.865 4.029 0 40 FIAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1SC(C)(C)C 72223667 FWZKISNYPCZYFX-UHFFFAOYSA-N 365.543 4.338 0 40 FIAB Cc1oc(C)c(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1C 73565676 HMXHOCHHWJYATO-IBGZPJMESA-N 363.461 4.257 0 40 FIAB CC(C)(C)OC(=O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 78954078 ZHWUMOZOZVSJIB-GOSISDBHSA-N 355.434 4.386 0 40 FIAB CC(=O)N1CCC(C(=O)O[C@H](c2c(Cl)cccc2Cl)C(C)C)CC1 89791409 CFMNLAVMZCNFJV-KRWDZBQOSA-N 372.292 4.492 0 40 FIAB CCOC(=O)Nc1cccc(-c2cc(C(F)(F)F)cnc2N(C)C)c1 91695497 WGIOZBVZOJJICM-UHFFFAOYSA-N 353.344 4.402 0 40 FIAB CC1CCN(C[C@H]2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)CC1 95393015 KZFKDZJAMMCACO-OAQYLSRUSA-N 364.533 4.353 0 40 FIAB CCOC(=O)N1CCC(N(C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 95457127 WSVFEFZCVUBJEG-CABCVRRESA-N 352.906 4.385 0 40 FIAB CC(C)Cn1ccc2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc43)ccc21 95475686 FWIFWVXXXCPJRG-IBGZPJMESA-N 361.445 4.111 0 40 FIAB CC(C)c1ccc(CN2CC[C@@]3(CCCN(c4nncs4)C3)C2)cc1 96217199 MKGXKMDYWZTHRR-FQEVSTJZSA-N 356.539 4.154 0 40 FIAB Cc1cccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2C)c1 96266388 DKXRZLRGHNOSDA-UHFFFAOYSA-N 369.428 4.105 0 40 FIAB COc1ccc(CN[C@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)cc1 96296896 FTLBDBKWWUNYDQ-GFCCVEGCSA-N 370.380 4.038 0 40 FIAB biogenic,in-vitro CC(=O)OC[C@@]1(O)C[C@@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@@H]2CC[C@H]1C3 139355667 OJLWVPDNBQAHRT-NJXHAGHYSA-N 356.462 4.291 0 40 FIAB COCCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccn1 182233673 RWFMLTWDGLRWRG-UHFFFAOYSA-N 374.746 4.031 0 40 FIAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 219023904 BOMRVXPAEQXYFJ-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1OCC 219064676 AAHUJVGMOJOLSW-QGZVFWFLSA-N 371.477 4.185 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C)cc1 223026399 SCULNNWNAPPJTN-IBGZPJMESA-N 361.869 4.309 0 40 FIAB COc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)nc2)cc1 223927664 CKOKZTMUYVEVPX-UHFFFAOYSA-N 365.458 4.369 0 40 FIAB Cc1ccc(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(C)c1 224253362 GNTJIUKNGYSGLT-UHFFFAOYSA-N 356.897 4.157 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)CCc2ccccc2)c1 225514828 UPUGFQNOIOCCHU-OAHLLOKOSA-N 356.491 4.171 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225821635 STOXCPBLCOZAHR-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB O=C(O)CCc1cc(Cl)c(OCc2cccnc2)c(Br)c1 226341987 FQFWUYZTRHFMSA-UHFFFAOYSA-N 370.630 4.094 0 40 FIAB Cc1cnccc1-c1c[nH]nc1-c1ccc(CNC(=O)c2ccccc2)cc1 257287309 PPJXSTOFVPZDKZ-UHFFFAOYSA-N 368.440 4.377 0 40 FIAB CC(C)Oc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260778625 RVVSIUFNBHNXLG-MDASCCDHSA-N 353.491 4.458 0 40 FIAB O=C(Nc1ccc(OC(F)F)nc1)c1ccc(F)c(C(F)(F)F)c1 549024857 VHZBIEBVDQCIQM-UHFFFAOYSA-N 350.218 4.093 0 40 FIAB Brc1nnc2ccc(Oc3cccc(C4CCCC4)c3)nn12 1163617750 KDBXMWNRSSSJBY-UHFFFAOYSA-N 359.227 4.337 0 40 FIAB CC(C)(C)OC(=O)N1CCCC[C](n2c(N)nc3cccc(Cl)c32)C1 1560405338 HVGAGSGUHQKRHN-UHFFFAOYSA-N 363.869 4.073 0 40 FIAB O=C([C@H]1CCC[C@@H]1c1ccccc1)N1CC(OCCCc2ccccc2)C1 1629171199 MOAOUSNPRZKORC-PKTZIBPZSA-N 363.501 4.431 0 40 FIAB OC[C@H](Nc1cnc2cc(F)c(F)cc2n1)c1cccc(C(F)(F)F)c1 1640272671 VNEZLZCOSYDYMN-HNNXBMFYSA-N 369.293 4.072 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(C(CC)CC)s2)cc1OCC 804669 FCMQJURBKHIZAT-UHFFFAOYSA-N 363.483 4.491 0 40 FIAB O=C(NCCc1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 941026 CQONFDYLCWWSRQ-UHFFFAOYSA-N 355.441 4.054 0 40 FIAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccccc1Cl 941064 BEZTZCFDKNVGTO-UHFFFAOYSA-N 373.909 4.457 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccccc3F)n2)c1 2629011 ZFNZIZJBQMTXGJ-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB Cc1ccc2c(c1)Oc1ccc(NC(=O)c3c(C)noc3C)cc1C(=O)N2 4107633 HWBOXVDIGTURGT-UHFFFAOYSA-N 363.373 4.210 0 40 FIAB COc1cccc2sc(Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)nc12 4137634 VAPJXWYHOOANBS-SECBINFHSA-N 373.503 4.334 0 40 FIAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 4496470 WZRNIEYUHPERDG-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 4816666 WRIPGDPXSJINSC-RTBURBONSA-N 366.852 4.327 0 40 FIAB COc1ccc(-c2noc(CN(C(=O)C(C)(C)C)C3CCCCC3)n2)cc1 4943846 BUYGGVVNLOGRCA-UHFFFAOYSA-N 371.481 4.453 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccoc2COc2ccc(C)cc2)cc1 5032779 VLJXUHXQHYABSM-UHFFFAOYSA-N 364.401 4.378 0 40 FIAB CC(C)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 5268929 TXYYHUPDIKVWLS-UHFFFAOYSA-N 364.420 4.411 0 40 FIAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 5909653 XGKYZBNSUHFAMQ-WQVCFCJDSA-N 368.502 4.104 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 6235288 NULPUBQNANJCDX-UHFFFAOYSA-N 366.442 4.203 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)c(C)c1 6255703 BUPQHHREYQORLG-UHFFFAOYSA-N 369.490 4.025 0 40 FIAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 6315547 IWNSZTYIJLJZHK-UHFFFAOYSA-N 372.490 4.494 0 40 FIAB CCCCn1nc(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O 6430036 NWFXUBPOOREHIH-UHFFFAOYSA-N 355.825 4.102 0 40 FIAB COc1ccc(CC(=O)Nc2ccccc2Cc2ccccc2)cc1OC 7061128 DRNBOLSSLMGNPQ-UHFFFAOYSA-N 361.441 4.476 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 7266981 BUURVRGFKQVEOT-CYBMUJFWSA-N 366.383 4.173 0 40 FIAB O=C(c1cccs1)N(CCCn1ccnc1)c1nc2ccccc2s1 7424413 BKOZOYUYXZTOPR-UHFFFAOYSA-N 368.487 4.291 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(C)c(Cl)c2)c1 7653821 WCUVXIBGFIORBD-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB CCNC(=S)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7659767 BOSMAWGODUHICE-HNNXBMFYSA-N 357.910 4.437 0 40 FIAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 7881944 CBKWYAXQEJOLKN-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB Cc1ccc(-c2cc(NC(=O)CN(C)Cc3sccc3C)on2)cc1 7988489 JQDCEVIVEHGGFI-UHFFFAOYSA-N 355.463 4.090 0 40 FIAB COc1ccccc1-c1nc(-c2ccc(CCNC(C)=O)cc2)cs1 8209373 LEPXPOCPSZQGRQ-UHFFFAOYSA-N 352.459 4.164 0 40 FIAB CC(C)[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2[nH]1 8395800 DNYJMYAZFLYKMW-MRXNPFEDSA-N 371.824 4.072 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 8904258 IINATSSJNHZPSS-RUDMXATFSA-N 372.833 4.388 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)c1 8922546 NLWVEDZYIDDRCF-HNNXBMFYSA-N 371.462 4.152 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1Cl 8981087 WPYKKXQUGREQPI-UHFFFAOYSA-N 357.759 4.349 0 40 FIAB O=C(CCC1CCCCC1)Nc1ccc2c3c(cccc13)C(=O)NC2=O 9095037 NYEADCSTETZVEO-UHFFFAOYSA-N 350.418 4.022 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(CCCc4ccccc4)nn23)cc1 9192523 SPGVNQZMADCHLG-UHFFFAOYSA-N 363.490 4.094 0 40 FIAB C[C@@H](NC(=O)NCCc1ccc(F)cc1)c1ccccc1Br 9584054 ZLYAPUDERXKOES-GFCCVEGCSA-N 365.246 4.191 0 40 FIAB CCCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1 9668146 PTGKMBKHUVSRQU-UHFFFAOYSA-N 369.446 4.296 0 40 FIAB O=C(NCCCN1CCCCC1)c1ccc(Oc2ccc(F)cc2)cc1 9918498 JIVGILOACZNRQZ-UHFFFAOYSA-N 356.441 4.224 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)Cn1ccc2ccc(F)cc21)c1ccncc1 12148530 MLERSVPIAMXERE-QHCPKHFHSA-N 373.431 4.390 0 40 FIAB COc1ccc(C2(NCc3cnc(N4CCCCC4)nc3)CCCC2)cc1 12328676 JAMOZMOLEMFERF-UHFFFAOYSA-N 366.509 4.035 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)C(c1ccccc1)c1ccccc1 12526843 OUFBPOTWXDHSME-UHFFFAOYSA-N 354.413 4.038 0 40 FIAB Cc1cc(C)c2c(n1)sc1c(=O)n([C@@H](C)C(=O)c3ccccc3)cnc12 12637518 YWYUSVZOMWOFBL-ZDUSSCGKSA-N 363.442 4.067 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(F)cc2)c(OC)c1 12820415 AAXHKZNCUOPPKZ-LKQLOZHYSA-N 355.409 4.220 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCc2ccc(-c3csc(C)n3)o2)c1 12871611 CCCBYSLVWCWPMU-UHFFFAOYSA-N 356.447 4.024 0 40 FIAB CC(C)[C@H](C)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12900816 HRNLEPXBWOLPAX-ZDUSSCGKSA-N 355.463 4.143 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 12908031 QPXYNAGPOVZTKY-OAHLLOKOSA-N 371.864 4.229 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2ccccc2F)C1 12951169 KYIGRCMXWRANTN-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCCc2ccc(Cl)cc2)c(C)c1 13673574 AHKAKTZKXVKSOG-UHFFFAOYSA-N 351.899 4.176 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14004430 ONTJMKWLUHVZMF-MRXNPFEDSA-N 366.461 4.155 0 40 FIAB C[C@@H]1CCCN(Cc2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)C1 14141719 RTTABPLTEDKXJH-CQSZACIVSA-N 368.506 4.038 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 14399664 OTKCSAUPFLBTEP-UHFFFAOYSA-N 368.477 4.323 0 40 FIAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCO)cc1Cl 16742103 NFJKAXKBQAAGQH-VZCXRCSSSA-N 374.893 4.493 0 40 FIAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2C)cc1 19209647 XXNNWYXDZJCFTF-NRFANRHFSA-N 374.488 4.385 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc(C)nc3c(C)cccc23)cc1OC 19236708 KSGHFJQTLJLMMC-UHFFFAOYSA-N 364.445 4.141 0 40 FIAB CCOCCOc1ccccc1CNc1cccc(OC[C@H]2CCCO2)c1 19738610 HEOLLRRODJEBMU-OAQYLSRUSA-N 371.477 4.272 0 40 FIAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 22510940 YGKFXHUFWGGCDG-GOSISDBHSA-N 366.505 4.247 0 40 FIAB Clc1cccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)c1 22609110 YXYFWXFAOFIIFT-LJQANCHMSA-N 355.869 4.003 0 40 FIAB O=C(CSCc1cccc(Br)c1)Nc1cccc(F)c1 22613016 GVZSTIHTMIAHNH-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB c1ccc2c(c1)ncn2CN1CCN(Cc2csc3ccccc23)CC1 22923944 JEWJDZIPAVNQDZ-UHFFFAOYSA-N 362.502 4.026 0 40 FIAB Cc1nc(C2(NC(=O)c3cc4cc(Cl)ccc4o3)CCCCC2)no1 24031333 WWHSNJZXWKAAGT-UHFFFAOYSA-N 359.813 4.367 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(Cn2ccnc2)c1 25176699 NZHAYAGKVDYWDZ-UHFFFAOYSA-N 372.428 4.158 0 40 FIAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(OC(F)(F)F)cc1 25183690 BLRMGTZRWVGVRM-UHFFFAOYSA-N 361.323 4.082 0 40 FIAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(C)C)c1 26528534 OPCAOFOSUAPWED-UHFFFAOYSA-N 367.854 4.051 0 40 FIAB COc1cccc(SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1 27661642 WDADZDWDZZYSJF-UHFFFAOYSA-N 356.447 4.374 0 40 FIAB CCN(CC)c1ccc(NC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1 29102066 XIUKNFBQWKRXBB-OUKQBFOZSA-N 368.868 4.486 0 40 FIAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2cccc(C(C)C)c2)c1 29277784 BPRNFAXHMAYESB-ZHACJKMWSA-N 353.418 4.014 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 30756331 BJLMUBABKIXWGA-QRWLVFNGSA-N 357.450 4.129 0 40 FIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1 32926284 HLMILTWCLSFQRV-OAHLLOKOSA-N 355.463 4.187 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2cc1C 36386109 UGICOPXFTGTHBJ-ACWOFJMJSA-N 371.477 4.076 0 40 FIAB O=C(c1ccc(NCc2c(F)c(F)c(F)c(F)c2F)cc1)N1CCCC1 36803290 DDYLRAYFSDNASQ-UHFFFAOYSA-N 370.321 4.230 0 40 FIAB CCC[C@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 40050279 CPNLOTIITZAOHQ-FQEVSTJZSA-N 350.462 4.445 0 40 FIAB C[C@@H](NC(=O)N(C)Cc1ccsc1)c1cccc(Br)c1 40071311 DNYNFIYCLITFRU-LLVKDONJSA-N 353.285 4.413 0 40 FIAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2ccc(OC3CCCC3)cc2)n1 40120621 IFKQQMKQYVFYCS-HNNXBMFYSA-N 370.497 4.279 0 40 FIAB O=C(NCC[C@@H]1CCCO1)Nc1cccc(OCc2cccc(F)c2)c1 40152322 ZAONWTYALMSIPG-SFHVURJKSA-N 358.413 4.095 0 40 FIAB CC(=O)[C@H](C)OC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 40161945 CXDHNGVXWGNHOU-KRWDZBQOSA-N 362.429 4.041 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44839819 GXZPDQMRAGHMGK-INIZCTEOSA-N 361.825 4.231 0 40 FIAB CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1 44900703 AULGMLLTOJLCQK-LJQANCHMSA-N 358.441 4.376 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCCCC[C@@H]1c1ccncc1 45975990 DGAPIKLNKTVGIR-GOSISDBHSA-N 367.449 4.392 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(Cc1ccc(Cl)cc1)C3 57120589 KTXRBXGCBJFSDX-UHFFFAOYSA-N 367.832 4.287 0 40 FIAB Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc(-c2ccccc2)n1 57519798 PHOIQAWHILFYLN-UHFFFAOYSA-N 353.422 4.322 0 40 FIAB Cc1nc(C(=O)Nc2cccc3ncccc23)nn1-c1ccccc1Cl 63897728 ZNAKFMWTAXJHPA-UHFFFAOYSA-N 363.808 4.030 0 40 FIAB c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c4ccccc34)n2)cc1 72321972 GTVBNRGLDDLOKH-NRFANRHFSA-N 358.445 4.132 0 40 FIAB biogenic,in-vitro Cc1cc(NS(=O)(=O)c2cccc(Br)c2)ccc1Cl 84847528 GCTBQFKIWZNSAU-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)[C@H](O)Cc1ccccc1 95431413 SMLTXSCIXCMEKM-WZONZLPQSA-N 359.469 4.004 0 40 FIAB Cc1nn(CCC(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 100745302 QMDLUNXWUGBDBI-XQIYRAAOSA-N 369.553 4.305 0 40 FIAB COc1ccc(C(=O)CCc2ccc(OC(F)(F)F)cc2)cc1OC 199729110 LXXJLAXJQMIUMG-UHFFFAOYSA-N 354.324 4.418 0 40 FIAB CC(=O)Oc1ccc(C(=O)N2CCS[C@@H](c3ccccc3C)CC2)cc1 219288814 PEDOUPVUNVHBMP-HXUWFJFHSA-N 369.486 4.241 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)c1C 219590680 LPYDCKNPFJKIRB-IBGZPJMESA-N 355.434 4.276 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccccc1OC 222993383 NUUDXDDVZOGPPK-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1Cl 223135738 VLOXXZPTUFZOKT-UHFFFAOYSA-N 368.216 4.431 0 40 FIAB CCc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 223288227 DXBHTSTWDQVYOS-HKWRFOASSA-N 360.413 4.252 0 40 FIAB CCOCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC 224406949 XWAWSDKQQDBYKJ-UHFFFAOYSA-N 367.489 4.327 0 40 FIAB Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)CC(C)(C)O2 225608489 YYBULSIVUGYCSW-QGZVFWFLSA-N 363.454 4.023 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCCCc2ccco2)ccc1Cl 225805420 VNIGRUUWQYLSDM-UHFFFAOYSA-N 366.870 4.029 0 40 FIAB COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1Cl 225915937 CAQIQOMDGUXFLG-UHFFFAOYSA-N 353.846 4.001 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)c1 226331552 TZTFSJYFWRKSGB-GJZGRUSLSA-N 367.493 4.320 0 40 FIAB O=C(NCc1ccnc(-c2ccsc2)c1)C1(c2ccc(F)cc2)CC1 253473662 WYWARHDZJXOFAI-UHFFFAOYSA-N 352.434 4.297 0 40 FIAB Cc1cncc(C(=O)N2CCC[C@H]2c2ccnc(Nc3cccc(C)n3)c2)c1 257303552 SHRNDNIZGVXKMH-IBGZPJMESA-N 373.460 4.209 0 40 FIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)o3)S2)cc1 408776492 OQQMSQHSEDDJIM-QUHSPFQSSA-N 371.506 4.288 0 40 FIAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409102643 BOKGCAVEEZWSTN-GLJUWKHASA-N 368.399 4.212 0 40 FIAB Cc1cc(N2CCC[C@@H]2/C=C/c2ccccc2)n2nc(C(F)(F)F)nc2n1 543727145 NLXWXJQETOGFIO-BOLDSZDNSA-N 373.382 4.134 0 40 FIAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1ccc(-c2ccoc2)o1 585147908 HEPGUFGYJAPMFT-UHFFFAOYSA-N 365.364 4.009 0 40 FIAB COc1cccc2cc(C(=O)NC[C@@H](O)c3csc4ccccc34)oc12 585372830 YTMLZNPBXCZNOT-OAHLLOKOSA-N 367.426 4.120 0 40 FIAB CC(C)N1CCC(N(C)C(=O)C(c2ccccc2)c2ccccc2)CC1 640328059 VIRJUYCXDFFCBB-UHFFFAOYSA-N 350.506 4.150 0 40 FIAB Cc1nc(NC(=O)NC[C@@H]2CCN(C(C)(C)C)C2)ccc1-c1ccccc1 667117178 QBJAFMPKJSFIGS-KRWDZBQOSA-N 366.509 4.299 0 40 FIAB C[C@H]1CN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)c2ccccc21 1529238435 BBABFFKOVNUVSO-SWLSCSKDSA-N 372.262 4.466 0 40 FIAB Fc1ccc(-c2nn3c(CSCCc4ccccc4)nnc3s2)cc1 1772491197 IUEYRIIUQWNUNJ-UHFFFAOYSA-N 370.478 4.468 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 655788 SCMCWLHRNQDFHY-UHFFFAOYSA-N 357.763 4.380 0 40 FIAB COC(=O)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 1237596 MGOXQOLCMNHLEK-UHFFFAOYSA-N 357.369 4.271 0 40 FIAB CC(=O)n1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)c2ccccc21 1735985 BDMUIPWGDJGUGT-LICLKQGHSA-N 364.788 4.299 0 40 FIAB CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2)c1 2073538 LNFWMRMJDCJCEC-CYBMUJFWSA-N 361.825 4.313 0 40 FIAB CC(=O)Oc1ccccc1C(=O)Oc1c(C(C)=O)sc2ccccc12 2277849 OIUPMMFGGCOBRM-UHFFFAOYSA-N 354.383 4.248 0 40 FIAB CCn1cc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(C)n1 2803147 IFFAFFJITUEVCI-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB O=C(COC(=O)c1c(F)cccc1F)Nc1c(Cl)cccc1Cl 3231769 YFSMRNHKKAGNKY-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(OC(F)F)cc1 3277727 VWZRYKRAQYUQEB-UHFFFAOYSA-N 362.357 4.313 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1F 3436409 KSSRWCSSNLBNCC-HNNXBMFYSA-N 374.843 4.278 0 40 FIAB COC(=O)[C@@H]1CC[C@@](C)(C(O)(c2ccccc2)c2ccccc2)OC1(C)C 3845821 UININOSXDBGDQN-UGKGYDQZSA-N 368.473 4.059 0 40 FIAB biogenic C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1cccc(Br)c1 3904930 PDIXGTGFDXWHMR-HZSPNIEDSA-N 354.288 4.257 0 40 FIAB c1coc(CNc2c(-c3ccc(N4CCCC4)cc3)nc3cnccn23)c1 4906182 HXUFPSSCRWJWEP-UHFFFAOYSA-N 359.433 4.202 0 40 FIAB Clc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1Cl 5529154 FKBIQENIHQXMHK-UHFFFAOYSA-N 362.245 4.005 0 40 FIAB OCCn1c(CSc2nc3ccccc3o2)nc2ccc(Cl)cc21 5628881 VBWGHNNSBLMGQY-UHFFFAOYSA-N 359.838 4.116 0 40 FIAB O=c1c2c3c(sc2n2c(=S)[nH]nc2n1C1CCCCC1)CCCC3 6664453 QTJOWYKXAAXALX-UHFFFAOYSA-N 360.508 4.152 0 40 FIAB CCSc1nnc(NC(=O)CSCc2cccc(Cl)c2)s1 7264358 TUCDAOCSZHGJDC-UHFFFAOYSA-N 359.929 4.175 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cnc3ccccc3n2)N1c1ccccc1 7363947 FSDPGXBSCGVNRZ-OAQYLSRUSA-N 352.397 4.401 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)c3c[nH]c4ccccc34)c(Cl)cc12 7781410 DPLPXWPPMDIPKL-UHFFFAOYSA-N 367.788 4.498 0 40 FIAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886320 ZFLSKPWCUCJFSE-HXUWFJFHSA-N 352.434 4.213 0 40 FIAB O=C(NCCc1ccc(F)cc1)c1cc(Br)ccc1Cl 8265129 LYSPEZQYJPHLSZ-UHFFFAOYSA-N 356.622 4.214 0 40 FIAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 8395531 IQEWZLOEMIFMJX-INIZCTEOSA-N 364.367 4.099 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 8945461 BGZIOEWPPBGSCP-UHFFFAOYSA-N 367.630 4.313 0 40 FIAB COc1ccc(-n2c(C)c(C)c3c(NC(=O)C4CCCC4)ncnc32)cc1 9117669 LVSFKUAWVILHFC-UHFFFAOYSA-N 364.449 4.175 0 40 FIAB Fc1ccc(F)c(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)c1 9531019 JEOZWSNZEIYERU-UHFFFAOYSA-N 365.368 4.346 0 40 FIAB Cc1ccc(C)c(CSc2nnc3n2CCN3c2ccc(F)cc2)c1 9574094 OBUHHNHBCRKBGY-UHFFFAOYSA-N 354.454 4.478 0 40 FIAB CCOC(=O)c1oc2cc(NC(=O)c3cccc(OC)c3)ccc2c1C 9659900 OUBAHDMVVWFLAK-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic CN1CCC[C@@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 9876311 IMBRHVAUQVXBCM-INIZCTEOSA-N 355.507 4.107 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 12156756 KNVPTEGXMPMPTQ-GOSISDBHSA-N 354.450 4.177 0 40 FIAB COCCNC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 13165312 VWXSATKZBINDBH-UHFFFAOYSA-N 366.486 4.091 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)Nc1cc2c(cc1Cl)OCO2 14095730 HTBQLKUTZISAKY-UHFFFAOYSA-N 374.607 4.393 0 40 FIAB CCc1ccccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 14899408 CMMVALHCVWJUOZ-UHFFFAOYSA-N 360.417 4.351 0 40 FIAB COc1cc([C@@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)ccc1O 15109978 UQQCOOGOSOTWRN-ZDUSSCGKSA-N 367.430 4.075 0 40 FIAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)on1 15190187 MWJAHEWSXFKAAD-UHFFFAOYSA-N 368.414 4.256 0 40 FIAB CC(C)N(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(F)cc1 17113373 LRMRITJFTHKELP-UHFFFAOYSA-N 361.424 4.370 0 40 FIAB CCC(=O)N1CCCc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 17247687 LWCULIJYEDNZHN-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB CCCc1ccc([C@H](NC(=O)c2cnc(C)cn2)c2cccs2)cc1 18136398 RPNSGCGONNAGSI-IBGZPJMESA-N 351.475 4.318 0 40 FIAB Oc1cc(CSc2nc3ccccc3s2)nc2nc3ccccc3n12 18222506 QPAUPXKVIYBEGE-UHFFFAOYSA-N 364.455 4.490 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 20836409 QEYNHCBJWMFKAO-ZDUSSCGKSA-N 371.487 4.236 0 40 FIAB Clc1cccc(N2CN(C[C@@H]3CCCO3)CN=C2c2ccccc2)c1 22609107 YXYFWXFAOFIIFT-IBGZPJMESA-N 355.869 4.003 0 40 FIAB CCc1nc2sc([C@H](c3ccccc3F)N3CCC(C)CC3)c(O)n2n1 22853300 XFDDOUBOHDYDAY-INIZCTEOSA-N 374.485 4.019 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 24959244 AYSOUAZSXWQUOY-OXJNMPFZSA-N 370.468 4.074 0 40 FIAB Cc1ccc([C@H](NC(=O)CN2CCSc3ccccc32)C2CC2)cc1 26174115 MFBBJERHTAHQFB-NRFANRHFSA-N 352.503 4.175 0 40 FIAB COc1ccc(-c2nonc2NC(=O)c2cccc3ccccc23)cc1C 27664343 ZFHFFFLMNIAPDY-UHFFFAOYSA-N 359.385 4.459 0 40 FIAB O=S(=O)(Oc1ccc2c(-c3ccccc3)noc2c1)c1cccs1 32088917 ICWXRRTXJPLRGD-UHFFFAOYSA-N 357.412 4.324 0 40 FIAB CC(C)n1nnnc1SCc1csc(Cc2ccc(Cl)cc2)n1 32329965 KUAOGKXHPWZOSJ-UHFFFAOYSA-N 365.915 4.247 0 40 FIAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccccc3F)c2s1 32616341 RDCYYJOCVXTGAD-UHFFFAOYSA-N 357.435 4.077 0 40 FIAB O=c1c2ccccc2c(-c2cccs2)nn1CN(C1CCCC1)C1CC1 32923220 FBAVDPZHKCLVOA-UHFFFAOYSA-N 365.502 4.490 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)c(C)c1 36635436 HZBAMCCQYZJZDD-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB CCCc1nnsc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 36709405 NVILYEUFAUQWEG-UHFFFAOYSA-N 372.475 4.069 0 40 FIAB Cc1ccccc1CNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39768566 OWLMBEWLICWFSK-UHFFFAOYSA-N 374.887 4.316 0 40 FIAB O=C(Nc1ccccc1)c1cccc(CNC(=O)c2ccc(F)cc2F)c1 40106714 KJWNKNFDOVGQPR-UHFFFAOYSA-N 366.367 4.147 0 40 FIAB CCc1nc(C)c2c(C)c(C(=O)Nc3ccc(N(C)C)cc3C)sc2n1 40111600 ZZGGWYJTWAIZLZ-UHFFFAOYSA-N 368.506 4.497 0 40 FIAB O=C(NCCSCc1cccs1)[C@@H]1CCCO[C@H]1c1ccccc1 40156163 VXQCCYXYKLPIIV-MSOLQXFVSA-N 361.532 4.265 0 40 FIAB Cc1cccnc1NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O 40266864 KNXYXGBIMBTKBM-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB COc1cc([C@H]2SCC(O)=Nc3c2cnn3C)ccc1OC1CCCC1 49544722 GIZUILCKSFMMSP-GOSISDBHSA-N 373.478 4.174 0 40 FIAB Cc1ccc(N(Cc2ccco2)C(=O)Cc2cn3ccsc3n2)cc1 60665831 FPANOPHSISCPMX-UHFFFAOYSA-N 351.431 4.073 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C2CCCCC2)s1 61717784 ADPHRLKUNQCPSL-UHFFFAOYSA-N 373.507 4.394 0 40 FIAB Cc1ccccc1-n1ncc(C(=O)Nc2cccc(-c3cnco3)c2)c1C 65158800 UPYZUMOMUWSARF-UHFFFAOYSA-N 358.401 4.396 0 40 FIAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(F)c1 67295434 WNKBECMKBFCYCV-FLFQWRMESA-N 362.360 4.327 0 40 FIAB O=C(Nc1ccc(Br)cn1)C1(c2cccc(Cl)c2)CC1 69456224 PQYYJJMULQUYJG-UHFFFAOYSA-N 351.631 4.168 0 40 FIAB CC(C)N(C(=O)[C@@H](C)N(C)Cc1ccc(OC(F)(F)F)cc1)C(C)C 71798358 MMXORGQBLJKDHX-CQSZACIVSA-N 360.420 4.051 0 40 FIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccc1Cl 72414395 HZJRWDINAIJZAN-UHFFFAOYSA-N 367.898 4.259 0 40 FIAB COc1ccc([C@H]2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)cc1 75166760 KMUJNPLBVPZRPW-HNNXBMFYSA-N 365.351 4.224 0 40 FIAB CCSCc1ccc(C(=O)Nc2[nH]nc(CC)c2Br)cc1 78976090 QJLQYCQNVDBXCB-UHFFFAOYSA-N 368.300 4.240 0 40 FIAB Cc1ccc(CN(C(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)C(C)C)o1 95364848 UHACCIRYWJLAGA-AWEZNQCLSA-N 366.870 4.233 0 40 FIAB COc1cccc2c1c(I)cn2C(=O)OC(C)(C)C 95929587 JLMMLBUGWIRNGF-UHFFFAOYSA-N 373.190 4.038 0 40 FIAB Cn1cnc(-c2ccc(NC(=O)N[C@H](c3cccs3)C(C)(C)C)cc2)n1 96013026 TWSKVLJNXOQWBP-MRXNPFEDSA-N 369.494 4.453 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccs2)S1 96118453 DARJCSKRRLMTMM-BXUZGUMPSA-N 363.508 4.254 0 40 FIAB Cc1ccc(CN2CCC[C@]23CCCN(C(=O)Nc2ccccc2)C3)o1 96214629 SYHLQYOCMFEGEF-NRFANRHFSA-N 353.466 4.251 0 40 FIAB Cc1ccc(-c2noc([C@H]3CCCN3C(=O)Cc3cccc(C)c3)n2)cc1 98212208 UOEBMXHCMDNTPA-LJQANCHMSA-N 361.445 4.260 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NCCCc1nc2ccccc2[nH]1 105639135 WPNOYGRXTKPUOP-HLIPFELVSA-N 371.525 4.089 0 40 FIAB CC(=O)OC[C@]12CO[C@@H](c3ccc(OC(C)=O)cc3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 138189826 RJNYTRPEECCIOJ-FFNNHMBQSA-N 372.461 4.081 0 40 FIAB Nc1nnc(/C=C/c2cccc(OCc3cccc(Br)c3)c2)o1 216905976 BWMSGUNZKKSJAN-BQYQJAHWSA-N 372.222 4.164 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC1CCCC1 224323645 YJOMCTGLLGLHDP-SFHVURJKSA-N 364.917 4.306 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)OC 224999349 XLDMKOKDUAYPTJ-FQEVSTJZSA-N 367.445 4.148 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225701895 PETFOARQHXKVGG-OAHLLOKOSA-N 367.445 4.148 0 40 FIAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1C 225833817 CFVSXQPDARWDBP-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB Cc1c[nH]nc1[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)O)o2)C1 257338447 YXLLBNOKVOSKTO-HNNXBMFYSA-N 365.433 4.056 0 40 FIAB Cc1cc(C)cc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260742413 VVZJGYXDYKDOIR-QGZVFWFLSA-N 353.535 4.431 0 40 FIAB COc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1 408627965 SAQXXJFHHZSQTQ-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB COc1ccc([C@@H](C)NCc2cnc(-c3ccccc3)[nH]2)c(C)c1OC 585083600 KRBASPSJKRKPRV-OAHLLOKOSA-N 351.450 4.253 0 40 FIAB CCN[C@@H]1C[C@H](c2ccccc2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 616575866 MPVCQHXWLZYJJL-RTBURBONSA-N 374.525 4.286 0 40 FIAB O=C(Nc1ccc(C2CCC2)cn1)N[C@@H](Cc1ccccc1)c1ncco1 654104321 NMDDDQKKBFEGED-SFHVURJKSA-N 362.433 4.443 0 40 FIAB Cc1ccsc1CN1C[C@H]2[C@@H](N(C)Cc3ccncc3)CCC[C@H]2C1 2055746518 RGJAUYIHVBAVMY-ZCNNSNEGSA-N 355.551 4.184 0 40 FIAB CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3F)c(=O)oc2c1 778546 RSJKWBYERUWMDA-UHFFFAOYSA-N 354.381 4.031 0 40 FIAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCC1CC1 1341106 XYTGCOQWQYPXQL-UHFFFAOYSA-N 366.465 4.106 0 40 FIAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nc(C(F)(F)F)cc1=O 1397732 ZGSAFHLGYLEBCF-UHFFFAOYSA-N 369.195 4.398 0 40 FIAB CC(C)=C[C@H]1[C@@H](C(=O)OCCOc2cc3c(cc2Cl)OCO3)C1(C)C 1664939 YRGBXDMEYIOTGS-SJCJKPOMSA-N 366.841 4.229 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 1972561 JYBUNTFAPKUFGP-UHFFFAOYSA-N 373.408 4.022 0 40 FIAB COCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2418745 XGAMLGXCPXAYOK-UHFFFAOYSA-N 356.495 4.300 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCCc1c[nH]c2ccccc12 2539549 QPCMAFJEEXEVMW-UHFFFAOYSA-N 363.244 4.212 0 40 FIAB O=C(Oc1ccc(-c2csnn2)cc1)c1cc(Cl)nc(Cl)c1 2557755 QCDMFEMYUSKMEK-UHFFFAOYSA-N 352.202 4.126 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(N2CCCC2=O)cc1 2628286 KVGMHYBHGOFWSI-UHFFFAOYSA-N 366.461 4.372 0 40 FIAB CCOc1ccc2nc(NC(=O)CCOc3ccccc3C)sc2c1 2663914 PLKSMTKDLWUXKU-UHFFFAOYSA-N 356.447 4.411 0 40 FIAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(F)cc1 3008114 OTXMIFNRQWJBDJ-UHFFFAOYSA-N 357.385 4.150 0 40 FIAB CCN(CC)C(=O)CCCSc1nnc(Nc2ccccc2F)s1 3285087 JYBSZMDXVVPNDE-UHFFFAOYSA-N 368.503 4.162 0 40 FIAB O[C@H](CN[C@@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl 3401900 GQJNFXXFTZTBLZ-RDTXWAMCSA-N 366.288 4.400 0 40 FIAB O=C(CCOc1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 3892389 OKLPQPUQLYBJAU-UHFFFAOYSA-N 350.443 4.316 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 4105478 HIXXTGNHIXOTGP-LFYBBSHMSA-N 350.462 4.299 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)CCSc2ccc(C)cc2)o1 4496542 UYTVQOLBDIVHEE-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CCc2ccccc2)cc1 4957657 KKOUVJNPUSJIBO-UHFFFAOYSA-N 367.445 4.030 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1Oc1ccccc1 4978707 ZZQHUSXVUOSXRY-IAGOWNOFSA-N 367.445 4.425 0 40 FIAB CCOc1cccc(-c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)c1 5071899 GBGRUBQQHRSOAQ-UHFFFAOYSA-N 370.865 4.355 0 40 FIAB CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)CCc2ccccc2)cc1 5381674 MCGRZWGYTDQILX-SFHVURJKSA-N 367.489 4.238 0 40 FIAB COc1ccc(C(=O)COC(=O)C2(c3ccccc3)CCCC2)cc1F 5429086 RTNXDXQVCDAGKC-UHFFFAOYSA-N 356.393 4.072 0 40 FIAB C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc2c(c1)OCCO2 5627058 FBLURYCHMZGNRM-ZDUSSCGKSA-N 366.442 4.125 0 40 FIAB Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccc(Cl)cc1)CS3 6006832 SQMNQMSCIMTWAZ-UHFFFAOYSA-N 361.879 4.086 0 40 FIAB Cc1cccc(-c2nc(SCC(=O)Nc3ccc(C)c(C)c3)n[nH]2)c1 6504409 GSVYBELFZQRDLF-UHFFFAOYSA-N 352.463 4.128 0 40 FIAB Cc1cc(C(=O)OCCCc2nc(-c3ccccc3)no2)c2ccccc2n1 6588590 WUVVRWUJEOYLQX-UHFFFAOYSA-N 373.412 4.383 0 40 FIAB COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1Br 6846883 KBPJMQAUJQUDIX-UHFFFAOYSA-N 354.631 4.292 0 40 FIAB CCOc1ccc(C(=O)CN(C2=NCCCC2)c2ccccc2OC)cc1 6870335 XIMSEVQHUAFCDN-UHFFFAOYSA-N 366.461 4.366 0 40 FIAB C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ccccc1 6900339 HAOJHQRFUAYBBJ-OAHLLOKOSA-N 355.409 4.208 0 40 FIAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1OC(F)F 7059060 XNZQRGCUYOGUCJ-SNVBAGLBSA-N 363.389 4.284 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1OCC 7360682 FGWXHYMZOMVUEI-UHFFFAOYSA-N 363.479 4.408 0 40 FIAB Cc1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)n1C1CC1 7617902 BLJZBOJIRYMVGK-UHFFFAOYSA-N 370.522 4.379 0 40 FIAB CSc1ncccc1C(=O)O[C@H](C)C(=O)Nc1cccc2ccccc12 7657558 QOTBACMPFVSFSU-CYBMUJFWSA-N 366.442 4.141 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1OCC 7927721 BBRBOWJLEDMUDJ-UHFFFAOYSA-N 369.870 4.247 0 40 FIAB Cc1cccc(Oc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)c1 8129037 UBJVTQWXYYNHRR-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB C[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc(-n2ccnc2)cc1 8166037 MSOOPZAIDNNVPU-KRWDZBQOSA-N 356.429 4.154 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 8324451 UWWNCLGPFKNGKH-UHFFFAOYSA-N 360.822 4.374 0 40 FIAB Sc1nc2ccccc2c2nc(COc3ccc4ccccc4c3)nn12 8559874 IPLBIVCCZNWLTM-UHFFFAOYSA-N 358.426 4.298 0 40 FIAB CC[C@@H](C(=O)Nc1nnc(Cc2ccccc2F)s1)c1ccccc1 8768965 UGONYZFJEQUGSP-OAHLLOKOSA-N 355.438 4.400 0 40 FIAB CN(Cc1cccs1)C(=O)c1nccnc1-c1nc2ccccc2s1 8943758 PQGBLWXPAJLPLB-UHFFFAOYSA-N 366.471 4.087 0 40 FIAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NCc1ccccn1 9221193 DIEQYWMYORVDNU-UHFFFAOYSA-N 373.865 4.009 0 40 FIAB CC1=CC(C)(C)N(C(=O)CSc2nnc(C)s2)c2cc(C)ccc21 9419558 GVEFMQQBBXFQFO-UHFFFAOYSA-N 359.520 4.476 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)c2c(c1)OCO2 9549322 ASRPMTQKRJNRNI-UHFFFAOYSA-N 358.825 4.311 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@H]1COC2(CCCCC2)O1 10220432 QSIDPNNNWNYDMH-KRWDZBQOSA-N 369.461 4.044 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc2c(c1)OCCCO2 11758739 SHHLMBDHSSBXMN-UHFFFAOYSA-N 359.809 4.103 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccs2)ns1 11914744 CCSCJILMNQUQQP-UHFFFAOYSA-N 365.867 4.246 0 40 FIAB O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCC1 12437818 HOQPYNBRMATVAD-UHFFFAOYSA-N 352.459 4.058 0 40 FIAB Cc1ccc(CNC(=O)[C@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1 12523031 SQNMQCZCLYYYMU-ZDUSSCGKSA-N 352.356 4.010 0 40 FIAB CCS(=O)(=O)c1ccc2oc(Nc3ccccc3C(F)(F)F)nc2c1 12540713 BTWIYBIENHHQGR-UHFFFAOYSA-N 370.352 4.384 0 40 FIAB Cc1ccc2nc(C)c(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2c1 12563632 XLAXOTDBMBALKN-UHFFFAOYSA-N 373.500 4.431 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc2ncccc12 12919812 NXFATXRAAANFQE-NRFANRHFSA-N 357.413 4.138 0 40 FIAB O=C(CSc1cccc2cccc(Cl)c12)NCCc1ccccn1 12964635 JPFVJTMPJLSHEI-UHFFFAOYSA-N 356.878 4.339 0 40 FIAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cccc(Br)c1 12999614 WVLXWJZQDUFZJH-LLVKDONJSA-N 365.296 4.068 0 40 FIAB C[C@H](Cc1ccco1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 13693161 NXAJKJPQSSXYJM-CYBMUJFWSA-N 351.431 4.041 0 40 FIAB COc1ccc(OCCOC(=O)c2csc(-c3ccc(F)cc3)n2)cc1 19617111 FCPSBSROJVIAES-UHFFFAOYSA-N 373.405 4.194 0 40 FIAB O=C(CSc1ccc2ccccc2c1)NC(=O)NCCc1cccs1 20070441 QUASYSVAQJRJAL-UHFFFAOYSA-N 370.499 4.062 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2CC)c1C 20452877 ZCHWUVFCMJXFKD-OAHLLOKOSA-N 355.434 4.140 0 40 FIAB COc1ccc(CSCC(=O)NCc2ccc(OC(C)C)cc2)cc1 20488082 UUUSDTWPNNNYQD-UHFFFAOYSA-N 359.491 4.032 0 40 FIAB COc1ccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cc1OC 23200008 NDXSPJHXRDZZHO-UHFFFAOYSA-N 355.365 4.033 0 40 FIAB CC(C)[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1cccs1 24318455 YPKZRPDVBFXVER-OAHLLOKOSA-N 351.855 4.300 0 40 FIAB O=S(=O)(c1ccc2ccccc2c1)N(Cc1ccco1)CC(F)(F)F 24975125 KEXHNNVDPHJJQE-UHFFFAOYSA-N 369.364 4.186 0 40 FIAB O=C(Cc1coc2ccc3ccccc3c12)Nc1cccnc1-n1cccn1 25009778 NGPATBDKSVDWFF-UHFFFAOYSA-N 368.396 4.348 0 40 FIAB C[C@@H](NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1)c1ccccc1 28223608 XWNYBKYQGJVMTR-CQSZACIVSA-N 365.385 4.078 0 40 FIAB CCCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC 28652129 DNXKBLQCTFDXQF-UHFFFAOYSA-N 363.461 4.468 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(OC(F)(F)F)c1 31033818 JRIXBDFXCOOFCQ-UHFFFAOYSA-N 369.387 4.236 0 40 FIAB CCc1nnsc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 32772732 MMCTWBAWEVLCMT-CYBMUJFWSA-N 358.492 4.078 0 40 FIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC(F)(F)F)cc1 32837416 AVITVMJGKIULFV-LBPRGKRZSA-N 367.323 4.194 0 40 FIAB Cc1nc(SCCC23CC4CC(CC(C4)C2)C3)sc1CC(N)=O 32871340 BETZRMHGSWRFKS-UHFFFAOYSA-N 350.553 4.178 0 40 FIAB O=C(Nc1ccccc1SCC(F)(F)F)c1ccc2c(c1)OCO2 32900577 MKQBPSZDOHCGGQ-UHFFFAOYSA-N 355.337 4.322 0 40 FIAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1nnc(C)s1 35291442 PSVWHCHJRHNJCM-UHFFFAOYSA-N 372.519 4.305 0 40 FIAB Cc1cccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1 35648376 LBQIKMSVZZNENF-SFKKXYGYSA-N 369.467 4.022 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](c2ccccc2)C(C)C)cc1 36020604 YYWCSZFRTMIMBU-FYYLOGMGSA-N 366.505 4.346 0 40 FIAB CSCc1ccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1 36395010 OVPDZQNHXOXHCP-UHFFFAOYSA-N 354.475 4.459 0 40 FIAB Cc1ccc(CCC2CCN(CC(=O)Nc3cccnc3Cl)CC2)cc1 36631032 WGQNSCGGFLKKAA-UHFFFAOYSA-N 371.912 4.327 0 40 FIAB Cc1nnc(NCc2cccnc2)c2nn(-c3ccccc3Cl)c(C)c12 36646278 MEBHVWCVWPYOLG-UHFFFAOYSA-N 364.840 4.093 0 40 FIAB COc1ccccc1[C@@H]1CC(O)=Nc2c(C(=O)O)cn(-c3ccccc3)c21 40313125 SKLPYNHYIQLYBX-HNNXBMFYSA-N 362.385 4.308 0 40 FIAB biogenic CCc1ccc2oc(C(=O)N3CCSc4ccccc43)cc(=O)c2c1 41155143 UEKYSIJZSGVTQH-UHFFFAOYSA-N 351.427 4.108 0 40 FIAB Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3C)cc2)o1 46071098 LMWYJPJBTSMDAO-UHFFFAOYSA-N 362.838 4.413 0 40 FIAB Cc1cc(C(=O)N2CCCc3c(F)cc(F)cc32)c2cnn(C(C)C)c2n1 48326171 DBBIKNWLVLPVRP-UHFFFAOYSA-N 370.403 4.192 0 40 FIAB CN(C)Cc1cccc(NC(=O)c2cccnc2Nc2cccc(F)c2)c1 52674848 AIESOYGDQKVUAO-UHFFFAOYSA-N 364.424 4.278 0 40 FIAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@H](C)[C@@H]3CCCO3)oc2c1 55215929 ODCSXSCICCGSFF-KDOFPFPSSA-N 365.429 4.406 0 40 FIAB C[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1Cl 57576985 DPEMLBCGJXILSX-WDEREUQCSA-N 357.306 4.410 0 40 FIAB C[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)N(C)c1ccccc1 58109973 XZNUJSWXIPDSPL-OAHLLOKOSA-N 366.490 4.457 0 40 FIAB O=C(Nc1ccccc1Cl)N(Cc1cccc(O)c1)C1CCC(O)CC1 58190988 XDVBJDMKWNWERO-UHFFFAOYSA-N 374.868 4.383 0 40 FIAB COc1c(C)cnc(CNC(=O)C2c3ccccc3Oc3ccccc32)c1C 58428127 CGKHNMLEGKGCRP-UHFFFAOYSA-N 374.440 4.261 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)cc1 59477539 YTOPBJDVQJNAQM-ACCUITESSA-N 374.440 4.435 0 40 FIAB Cc1noc(C)c1NC(=O)c1c(-n2cccc2)sc2c1CCSC2 63447333 JBMHVAFVOXSZJG-UHFFFAOYSA-N 359.476 4.185 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1cnc(C(C)(C)C)nc1 65533819 QTMFVOQDLJFMGX-HNNXBMFYSA-N 353.466 4.231 0 40 FIAB CCOc1cc2c(c3[nH]c(C(=O)Nc4ccc(F)cc4F)cc13)O[C@H](C)C2 65538729 CYIWVKYQQKOIEP-SNVBAGLBSA-N 372.371 4.421 0 40 FIAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2snc(-c3ccc(F)cc3)c2N1 66091432 LZHWMZZFZZVYOB-CYBMUJFWSA-N 368.389 4.152 0 40 FIAB Cc1ccc(C)c(C(=O)Nc2ccc(I)cc2C)c1 68735022 ZKWNPNMUPIEGMK-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB Cc1ncc(CSc2nnc(COc3ccccc3Cl)n2C)s1 69323237 HSBDBNYTWKWLFQ-UHFFFAOYSA-N 366.899 4.105 0 40 FIAB CC(C)(C)OC(=O)N1CCC([C@@](O)(c2ccccc2)C(F)(F)F)CC1 72208684 OLTRSLJDYOFQEW-KRWDZBQOSA-N 359.388 4.084 0 40 FIAB c1ccc(-c2noc([C@H]3CCN(Cc4cccc5cccnc45)C3)n2)cc1 72369828 BJEMQQBVZYTYRR-IBGZPJMESA-N 356.429 4.274 0 40 FIAB O=C(COc1ccccc1F)N(CCc1cccs1)Cc1ccco1 75154761 NAXRFSGIJXVOEA-UHFFFAOYSA-N 359.422 4.131 0 40 FIAB COc1cccc(C2(C(=O)Nc3cnn(-c4ccccc4)c3)CCCC2)c1 78575126 HHKVQXBJGRMSFU-UHFFFAOYSA-N 361.445 4.331 0 40 FIAB Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)(F)F)N2C(=O)c1cc(F)cc(F)c1 84129338 POFGFCQWPMEQKS-ZANVPECISA-N 359.298 4.012 0 40 FIAB CC(C)(C)Cc1noc2ncc(C(=O)N3CCC[C@H]3c3ccc[nH]3)cc12 84169896 LOPLBPDPJRPYMJ-KRWDZBQOSA-N 352.438 4.117 0 40 FIAB O=C1CCc2cc(OC(=O)CCc3ccc(-c4ccccc4)[nH]3)ccc2N1 95369521 VRVBQNRPPBJRSP-UHFFFAOYSA-N 360.413 4.105 0 40 FIAB CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 96052700 IOSAZBZMQGNOHX-SFHVURJKSA-N 368.546 4.248 0 40 FIAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc2ccccc2c1)CC3 96792820 OMHARSSZTUBKMB-ATVHPVEESA-N 368.392 4.192 0 40 FIAB CCOc1ccc(CN2C[C@H]3CCC[C@H](C2)C3N2CCCCC2)cc1OC 100214035 OCZWASNPLHCUFR-WOJBJXKFSA-N 372.553 4.180 0 40 FIAB COc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)c(OC)c1 101027060 KKSSQWRZYBAABI-QGZVFWFLSA-N 368.824 4.005 0 40 FIAB C[C@@H](Sc1nnc2c(n1)[C@H]1CC[C@]2(C)C1(C)C)C(=O)Nc1ccccc1 102721905 VJZFVMRQLJQOKM-ZGLRSVDFSA-N 368.506 4.166 0 40 FIAB CC[C@H](C(=O)NC[C@@](C)(O)c1cc2ccccc2s1)c1ccccc1 217501506 XVEWJSQUMUFRDZ-LAUBAEHRSA-N 353.487 4.419 0 40 FIAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)ccc1OC(C)C 219509750 BWHMVLCTVQMYLD-QGZVFWFLSA-N 371.477 4.183 0 40 FIAB CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 223431038 PFOYGJJUDLMCPM-UHFFFAOYSA-N 364.681 4.468 0 40 FIAB COc1ccc2cc(C(=O)NCc3ccnc(-c4cccs4)c3)[nH]c2c1 225652045 RVOYLLYMGQHIKY-UHFFFAOYSA-N 363.442 4.230 0 40 FIAB Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1Cl 225742798 HSQICBKBXSNIMN-UHFFFAOYSA-N 373.953 4.383 0 40 FIAB COc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c(C(C)(C)C)c1 226073005 NJKMNEDMZRRERW-MRXNPFEDSA-N 368.477 4.091 0 40 FIAB CCOP(=O)(OCC)c1cc2c(nc1S)[C@H]1C[C@H]2[C@@H]2CCC[C@H]12 254450741 YVYSETWCPIFJKA-VOAKCMCISA-N 353.424 4.263 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2ccc3ncccc3c2)CC1 257330520 XOTAQHLMEATPSY-SFHVURJKSA-N 366.505 4.223 0 40 FIAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)N[C@H](C)c2ccccc2)n1 260720867 UVJZHLKSPVMJCH-JKSUJKDBSA-N 369.538 4.211 0 40 FIAB C=CC(=O)N1CCC(c2cc3ccccc3c(Nc3nccs3)n2)CC1 585292941 UNZFLSMYFZPJHB-UHFFFAOYSA-N 364.474 4.327 0 40 FIAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1cc(-c2ccco2)on1 618256071 FFJDIUNWNLGTPH-CYBMUJFWSA-N 354.387 4.151 0 40 FIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC1=CCCOC1 678130507 UUMNUALQAWJBGM-KRWDZBQOSA-N 350.462 4.278 0 40 FIAB Cc1ccn2cc(-c3cc4cc(Br)ccc4oc3=O)nc2c1 856319 HBEHATBZXDUQJN-UHFFFAOYSA-N 355.191 4.179 0 40 FIAB CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCCc2ccccc21 1337727 PKBQJMQIGGMRNY-KRWDZBQOSA-N 353.495 4.032 0 40 FIAB CCOCCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 2377892 SNSJSNPIBGSDON-UHFFFAOYSA-N 350.397 4.212 0 40 FIAB Cc1cc(C)n(Cc2cccc(NC(=O)c3cc(-c4ccccc4)on3)c2)n1 2796240 YMJPQTRGOBYAOW-UHFFFAOYSA-N 372.428 4.456 0 40 FIAB O=C(OCC(=O)N1CCCCCC1)c1sc2ccccc2c1Cl 3232096 FJGDKESPFUGYBQ-UHFFFAOYSA-N 351.855 4.114 0 40 FIAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1C(F)(F)F 3322023 IZLNWJCPYODQRD-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)N1CCCC1 3405763 HZAZWPXJZNNHEH-UHFFFAOYSA-N 373.478 4.212 0 40 FIAB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1 3491682 TUVUKHCCBJBFLL-SFHVURJKSA-N 360.457 4.382 0 40 FIAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)ccc1Cl 3503608 YSZBHVZDPKMQNY-ZDUSSCGKSA-N 366.244 4.296 0 40 FIAB c1ccc2sc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 3531828 QLCDXCVXSKKTTI-UHFFFAOYSA-N 369.427 4.367 0 40 FIAB O=C(NC(=S)NCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 4184659 QTMRVZNUZRYXNJ-UHFFFAOYSA-N 362.926 4.047 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccncc1 4329859 RONNDCZHTFRFNL-GOSISDBHSA-N 352.825 4.174 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 4836016 WSFZOGUYHSNGSL-UHFFFAOYSA-N 357.435 4.358 0 40 FIAB Cc1cc2nc(N(CCN(C)C)C(=O)c3cccs3)sc2cc1C 5152600 QGKKDSHLMWZDDM-UHFFFAOYSA-N 359.520 4.183 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)c1 5170279 GRYRVIADKQEBJI-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCCCc1ccc(/N=c2\sc(CC)c(OC(C)=O)n2C(C)=O)cc1 5375756 RLLHCMRLIFNOOC-VXPUYCOJSA-N 360.479 4.272 0 40 FIAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(C)CC2)cc1 5498992 KSSDCPABXIYBGP-NRFANRHFSA-N 361.489 4.269 0 40 FIAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1 6608347 FCXAFTDXETWSMG-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB Cc1nc(-c2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cs1 7437794 ZOIFSULLASEGNQ-YCRREMRBSA-N 364.426 4.499 0 40 FIAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 7653985 FNLDXWCGTSUTCT-FQEVSTJZSA-N 358.441 4.135 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 7881826 GARRCBJNWYJSPE-KRWDZBQOSA-N 372.424 4.471 0 40 FIAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1O 7886214 PYCLPKLQYBGUPJ-GOSISDBHSA-N 358.825 4.173 0 40 FIAB CC(C)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C(C)C)c1 8408254 DVRDBLTUHQKBFR-UHFFFAOYSA-N 370.474 4.360 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(F)cccc3F)n2)cc1 8483890 BZBCOTIQCJDCAE-UHFFFAOYSA-N 374.416 4.043 0 40 FIAB O=C(CCNC(=O)Nc1ccccc1)NC(c1ccccc1)c1ccccc1 8985079 GNJSDSKTHCSUHQ-UHFFFAOYSA-N 373.456 4.104 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc2n1CCCCC2 9377860 FEPWMTUQJFMYOZ-UHFFFAOYSA-N 373.913 4.444 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1 10366412 FGWXLUFIQHUSAV-UHFFFAOYSA-N 356.422 4.351 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 11092436 BUQJTXXUKSAPPF-IERDGZPVSA-N 368.477 4.080 0 40 FIAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 12525654 IEKJIHBGEQWGOY-QGZVFWFLSA-N 363.808 4.046 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccsc2)no1 12783163 QRGMRCAKXKQGLP-UHFFFAOYSA-N 363.826 4.031 0 40 FIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)Nc1ccc(F)cc1 12973543 XWGHQFDZTZIJDB-SFHVURJKSA-N 361.848 4.438 0 40 FIAB COc1ccc(CCN(Cc2ccncc2)Cc2ccsc2)cc1OC 13989499 NGBNCDVZIAGQKM-UHFFFAOYSA-N 368.502 4.405 0 40 FIAB Cc1ccc2cc(COC(=O)c3n[nH]c4ccccc34)c(Cl)nc2c1 14083020 RDPKMSOAVJUAAR-UHFFFAOYSA-N 351.793 4.430 0 40 FIAB C[C@@H](Sc1nc(/C=C/c2cccs2)n[nH]1)C(=O)N(C)c1ccccc1 14189538 MWKJPCMVURUIAE-OCHBPSSRSA-N 370.503 4.180 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)COc2c(C)cc(C)cc2C)cc1 15567170 SPENUSRBEVQWIJ-FQEVSTJZSA-N 353.462 4.363 0 40 FIAB CC[C@H](O)c1nc2ccccc2n1CCCCOc1cccc(OC)c1 15831606 DCWKGYBVRAHOHT-FQEVSTJZSA-N 354.450 4.348 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c2cccnc12 15840671 DLSJCYCKBBSWAL-LBPRGKRZSA-N 356.809 4.303 0 40 FIAB CC[C@H](C)n1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17075648 WRCSZYKIMDGFAJ-JTQLQIEISA-N 368.510 4.241 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCCCC1 20105866 UHWODROUNVNPJC-JOCHJYFZSA-N 368.521 4.380 0 40 FIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccccc2C)cc1 20110981 DOXYYGMQOOMOBI-HXUWFJFHSA-N 361.507 4.210 0 40 FIAB O=C(Nc1ccc2[nH]ncc2c1)c1cc(Br)ccc1Cl 20501425 ZVDNOLUHJWYSSQ-UHFFFAOYSA-N 350.603 4.231 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C(C)C)cc1)cn2C 22237170 YOXXLOXHRNQMFW-UHFFFAOYSA-N 364.445 4.313 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)CN3CCCCCC3=O)cc2)cc1 23711582 UFNSJDAQWCCQBJ-UHFFFAOYSA-N 352.434 4.128 0 40 FIAB CC(=O)Nc1cccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c1 24775098 OJOPVRBGLNPOEG-UHFFFAOYSA-N 364.489 4.438 0 40 FIAB Cc1ccc(C)c(Nc2nc(NC3CCCCC3)nc3c2cnn3C)c1 27666419 AHXSZVBBUXRXJO-UHFFFAOYSA-N 350.470 4.468 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 30943638 XEFRVLZQVPSNCK-KNQAVFIVSA-N 350.506 4.036 0 40 FIAB O=C(Nc1cnc2ccccc2c1)C1CCN(c2ccc(Cl)cn2)CC1 31751191 IRXXVXGQLTXCKP-UHFFFAOYSA-N 366.852 4.138 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 32579006 IXPKRUOLBJCTLT-HNNXBMFYSA-N 365.433 4.152 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 32755475 WMDACQBRFWCANP-UHFFFAOYSA-N 352.434 4.165 0 40 FIAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1 35043329 QBHOXDACAOEAQE-OVCLIPMQSA-N 372.833 4.429 0 40 FIAB O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2ccc3ccccc3c21 39226535 VIYVGHACVMAITM-UHFFFAOYSA-N 371.436 4.480 0 40 FIAB Cc1noc2ncc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc12 40050022 PYPLSEUNEAOUIT-UHFFFAOYSA-N 369.384 4.327 0 40 FIAB C[C@@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1N1CCCC1 40103766 XEEOHUSZANWTIR-INIZCTEOSA-N 353.466 4.135 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)c1ccccc1F 40130373 UPKCKNRTZOBIAF-CYBMUJFWSA-N 369.415 4.187 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 44904310 PLNRZNLEGZUSOY-OAHLLOKOSA-N 355.434 4.311 0 40 FIAB C[C@H]1CCN(C(=O)c2csc(-c3cnn(C)c3)n2)c2ccccc2S1 44919947 KFBJTWIEWUYJKH-LBPRGKRZSA-N 370.503 4.075 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@H]1C[C@@H]1c1ccccc1Cl 51411681 LOCYRPXJUGQORX-CVEARBPZSA-N 351.837 4.150 0 40 FIAB CNCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 57387122 FHMPJARUGMNWPC-UHFFFAOYSA-N 353.293 4.272 0 40 FIAB C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc21 58158644 CDLAFVSQMMCIFZ-SFHVURJKSA-N 356.469 4.343 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1F 59267388 DTJMVBUAUXQLSN-LLVKDONJSA-N 352.203 4.303 0 40 FIAB Cc1ccsc1CN(C(=O)c1cnccn1)c1ccc(F)c(Cl)c1 60638891 PWMUPBSGSAIOFZ-UHFFFAOYSA-N 361.829 4.486 0 40 FIAB Cc1csc(N(C(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2)n1 69259879 MXWZKMQYFRYJFZ-UHFFFAOYSA-N 366.368 4.032 0 40 FIAB CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 71287001 LKOVIJAXTBHDLR-LJQANCHMSA-N 374.444 4.196 0 40 FIAB Cn1cc(CCC(=O)NCCc2nc(C(C)(C)C)cs2)c2ccccc21 79481627 HQNNCOIVTVJBLJ-UHFFFAOYSA-N 369.534 4.224 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc2c(cc1Cl)OCO2 89536682 VMVSNYKUNKTDQS-UHFFFAOYSA-N 358.756 4.317 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102614756 GFFYXPWATCZTPU-HZVDNRATSA-N 369.461 4.098 0 40 FIAB CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222572456 RPXQTCDVLRFWPJ-AGRHKRQWSA-N 369.490 4.078 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223404520 RFQJHEXVKXTIPX-OAHLLOKOSA-N 357.410 4.140 0 40 FIAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(Cl)cc1 224454195 WTYGJRVVEJTVDD-DLBZAZTESA-N 354.866 4.240 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)n1 225291301 JGYAOCXXVFUIQQ-UHFFFAOYSA-N 365.452 4.050 0 40 FIAB Cc1ccc(CCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 225556807 MSKMKUPRGPWOML-UHFFFAOYSA-N 369.852 4.256 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(F)cc1F 225740174 UKTNYFRVVMBAQO-CYBMUJFWSA-N 361.461 4.093 0 40 FIAB O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc(F)cc1 409182586 MWTCBOPWBBPMNW-UHFFFAOYSA-N 360.340 4.077 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC(c2ccc3cccnc3n2)CC1 653914283 LQCINQDXALDBCF-UHFFFAOYSA-N 350.397 4.180 0 40 FIAB Cc1sc(C(N)=O)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 675278198 FQYCBTNXCAQYRT-ZJUUUORDSA-N 369.273 4.204 0 40 FIAB Cc1ccc2oc(CNC(=O)c3cc4c(nc3O)CCC(C)(C)C4)cc2c1 1300880456 JTRICRZVQNPHRV-UHFFFAOYSA-N 364.445 4.287 0 40 FIAB CCCOC(=O)[C@H](C)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 1307512603 FGDFJLKFKYVAIX-GXTWGEPZSA-N 360.281 4.178 0 40 FIAB O=C(CCc1ccccc1F)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970187 GBADDOMLZYDJTL-UHFFFAOYSA-N 363.436 4.069 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 816196 DXFJKOIBDLEEQS-SNVBAGLBSA-N 352.217 4.485 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2cc(C)ccc2OC)cc1OCC 936422 WXYXXVXHUIHZLN-FMIVXFBMSA-N 355.434 4.453 0 40 FIAB CCn1c(SCC(=O)c2cccs2)nnc1-c1ccc(OC)cc1 1222244 ZUJZNXNWJCLSJG-UHFFFAOYSA-N 359.476 4.010 0 40 FIAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2)o1 1283334 CBOLJWMEKYKDQI-INIZCTEOSA-N 350.447 4.086 0 40 FIAB O=C(CSc1nc(CCC2CCCC2)nc2ccccc12)NC1CC1 1356006 YQEZHVIYGHTKEX-UHFFFAOYSA-N 355.507 4.123 0 40 FIAB Cc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1 2351525 ODVOSWSWMMLGJB-UHFFFAOYSA-N 359.385 4.235 0 40 FIAB CCOC(=O)c1c(NC(=O)CNc2ccc(C)cc2)sc2c1CCCC2 2648426 WAMOFQOTLDMPSH-UHFFFAOYSA-N 372.490 4.163 0 40 FIAB COc1cccc(-c2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)c1 2930854 BPMWNMJFDQMQOD-UHFFFAOYSA-N 361.357 4.258 0 40 FIAB Cc1ccccc1-n1c(S[C@H]2CCCCC2=O)nc2ccccc2c1=O 3290500 FRBMKDSTSOVIBF-IBGZPJMESA-N 364.470 4.298 0 40 FIAB NC(=O)c1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 4176523 YNOSJVATONYWIN-UHFFFAOYSA-N 373.437 4.315 0 40 FIAB N=C1SCC(=O)N1c1ncc(Cc2cccc(Cl)c2Cl)s1 4384923 VALXZJJPSZMZNW-UHFFFAOYSA-N 358.275 4.055 0 40 FIAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)c(C)c2c1 4524869 KGMRGTIYOBTQRE-KCQAQPDRSA-N 373.449 4.085 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1C(F)(F)F 4745919 JLZGZEAGEQZPBG-HNNXBMFYSA-N 353.296 4.004 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816633 UVRPRLGPTPWTBL-MSOLQXFVSA-N 352.825 4.019 0 40 FIAB O=C(COc1ccccc1Br)Nc1ccc(F)c(Cl)c1 5037995 KVNJFBKQZKMAFB-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1 5038143 QQSZHYYYVJSKSZ-SECBINFHSA-N 369.273 4.212 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccccc3C)cc2Cl)CC1 5644277 SVLRJGLQOXFQPR-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 6048132 QIIGPBYYHJYMOR-UHFFFAOYSA-N 373.865 4.433 0 40 FIAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 6326940 SSUIPOBIZHLJQI-LICLKQGHSA-N 369.442 4.075 0 40 FIAB O=S(=O)(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)CCCC2 7055604 JGRUCAOXCLUPJW-UHFFFAOYSA-N 370.499 4.490 0 40 FIAB CC(=O)c1ccc(OC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 7276615 IRMHASYYKNQYRO-UHFFFAOYSA-N 365.410 4.422 0 40 FIAB Cc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1-c1ccccc1 7458973 HLISNYNEGZQZPS-UHFFFAOYSA-N 362.458 4.042 0 40 FIAB Cc1cc(C(=O)CCC(=O)NCCc2c[nH]c3ccccc23)c(C)s1 7988613 WXDNEADMOIUICU-UHFFFAOYSA-N 354.475 4.168 0 40 FIAB Cc1cc(C)cc(-n2nnnc2SCCSc2ccc(F)cc2)c1 7989439 NHUSZZLCCRLCDB-UHFFFAOYSA-N 360.483 4.303 0 40 FIAB CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 8485552 ANDSBDOXNVSDMT-UHFFFAOYSA-N 359.838 4.145 0 40 FIAB CCOc1ccc2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1 8994463 KTPDDJJCFQQDON-UHFFFAOYSA-N 366.398 4.054 0 40 FIAB CCOc1cc2c(cc1NCC(=O)Nc1ccccc1SC)O[C@H](C)C2 9339301 JWYNNZVAPBZLIW-CYBMUJFWSA-N 372.490 4.181 0 40 FIAB CC(C)Cn1c(Cn2cccn2)nc2cc(NC(=O)c3ccccc3)ccc21 9355205 QWKIJAXDGRTKJZ-UHFFFAOYSA-N 373.460 4.189 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 9985904 LDBIOTGDKLEGNE-DHZHZOJOSA-N 353.849 4.475 0 40 FIAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C)C)nc2c1 12515050 WJTRLITUFVXRQH-UHFFFAOYSA-N 352.459 4.091 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 12619749 HTRUIRUDRWKKQD-ZDUSSCGKSA-N 357.262 4.261 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3F)sc2c1 12781864 RFZKHRSJSCDIKM-UHFFFAOYSA-N 363.801 4.300 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12784275 FQDSFIRLZCERKC-YPHWWSSASA-N 369.848 4.488 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 12976317 LJLLZWZLAKJPDM-BRWVUGGUSA-N 361.363 4.449 0 40 FIAB O=C(c1ccc(Br)cc1)N1CCc2cc3ccccc3nc21 19796813 CAWPFSOQUFYPPF-UHFFFAOYSA-N 353.219 4.200 0 40 FIAB COc1ccc(CN2CN=C(c3ccccc3)N(c3ccccc3)C2)cc1 19960598 DQOVPRNFODFHQF-UHFFFAOYSA-N 357.457 4.379 0 40 FIAB CCCCC(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151315 YEHMFKCGTXIAJM-UHFFFAOYSA-N 366.870 4.096 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20454078 IWFSIEOFDCYUJF-SJORKVTESA-N 371.477 4.274 0 40 FIAB Cn1ncc2c(Nc3cccc(Cl)c3)nc(NCc3ccccc3)nc21 21873514 ONBPJVFHCDNJSF-UHFFFAOYSA-N 364.840 4.372 0 40 FIAB C[C@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)N(C)c1ccccc1 21998459 CNIABPUBZUBMTI-LBPRGKRZSA-N 372.471 4.080 0 40 FIAB O=C1NCCCC[C@H]1Sc1ncc(-c2ccccc2)n1-c1ccccc1 22202358 GTMLEDJBAGLKCA-LJQANCHMSA-N 363.486 4.300 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 22973156 PCEPYEWUPHGBEI-UHFFFAOYSA-N 364.405 4.117 0 40 FIAB COc1ccc([C@@H]2CCCN2Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 23843955 HRDCWXLVCIDDAO-SFHVURJKSA-N 370.522 4.430 0 40 FIAB Cc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)sc1C 24734021 KIOYRACBTMLZIF-UHFFFAOYSA-N 371.289 4.382 0 40 FIAB Cc1c(C(=O)N[C@H](C)CCC(C)C)sc2nc(-c3ccco3)[nH]c(=O)c12 24864965 NHIDWUQOVUDRAW-LLVKDONJSA-N 373.478 4.108 0 40 FIAB O=C(c1ccc(Cl)cc1Cl)N1CCCN(Cc2cccs2)CC1 28038006 WNPLEIZKJRWVPL-UHFFFAOYSA-N 369.317 4.403 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 28292191 PVTCARWKHTYEBC-QGZVFWFLSA-N 363.461 4.208 0 40 FIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H]1c1cccs1 29797022 BZAQCZPBTDUUNV-ROUUACIJSA-N 357.475 4.283 0 40 FIAB Cc1ncc(-c2ccc(NC(=O)Cc3coc(-c4ccccc4)n3)cc2)o1 29858263 AFAAHRXPWWFJAL-UHFFFAOYSA-N 359.385 4.486 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(OC)cc1OC 32678636 GBCJEPCVINYGOY-UXBLZVDNSA-N 365.882 4.481 0 40 FIAB CN(C)C(=O)[C@H](OC(=O)c1cc2ccc(F)cc2s1)c1ccccc1 32741908 XUHVBTVDMKDXND-QGZVFWFLSA-N 357.406 4.027 0 40 FIAB Cc1nn2c(nc(NC[C@@H](c3ccco3)N(C)C)c3ccccc32)c1Cl 32837507 OYQLLYOAYPVMMI-HNNXBMFYSA-N 369.856 4.152 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)c2csc3ccccc23)CC1 32859699 JNGIASKHZWUKFM-UHFFFAOYSA-N 366.486 4.262 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1Cl 36635890 IDIHVVFWWXCBGG-ZDUSSCGKSA-N 369.635 4.391 0 40 FIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc(F)ccc1F 40108478 PWHQLMKNHGWLTM-JTQLQIEISA-N 354.194 4.088 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@@H](C)c1cccc(F)c1 40130415 BSINLAFHHQHXIL-ZDUSSCGKSA-N 369.415 4.187 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1 40154760 RVGDNIJHGKYOKT-IRXDYDNUSA-N 369.509 4.138 0 40 FIAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1noc2c1CCCC2 40157183 GHRBUHZRMWMSMK-UHFFFAOYSA-N 358.401 4.145 0 40 FIAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccs3)n2)cn1 40287591 VMNWUHDITOZZHV-UHFFFAOYSA-N 362.414 4.421 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)c(Cl)c1Cl 44844717 FQXCAAVERJVULU-LLVKDONJSA-N 374.289 4.350 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 45383260 IIWVFSRGTVMGEA-GJZGRUSLSA-N 359.491 4.370 0 40 FIAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(F)cc1)C3 54278187 KDOFCPGVXDYKNL-UHFFFAOYSA-N 367.420 4.463 0 40 FIAB CC1=NN(c2ccc(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc2)CC1 54282662 NUMNQPOAVSXVIH-LJQANCHMSA-N 367.424 4.055 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H]3C[C@@H](C)CC[C@@H]32)cc1 58196436 UDAJUNSCCRSBHQ-HQRMLTQVSA-N 357.494 4.475 0 40 FIAB COC(=O)c1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc1 71284378 MBGNIEMSIZWLMZ-INIZCTEOSA-N 371.462 4.377 0 40 FIAB Cc1sc2ncnc(NCc3ccc(OCC(F)(F)F)nc3)c2c1C 71953817 WYZFPOVXKLSLLN-UHFFFAOYSA-N 368.384 4.256 0 40 FIAB Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1ccc(F)cc1F 75104129 HDIJYFFVRIILGV-GOSISDBHSA-N 356.372 4.229 0 40 FIAB O=C(NCc1ccc(-c2nccs2)cc1)c1nc2ccccc2s1 85473090 OIBPSCNYHVEHMG-UHFFFAOYSA-N 351.456 4.350 0 40 FIAB CC(C)[C@@H](O)C1(CN[C@@H]2CCCOc3cc(Br)ccc32)CC1 95988231 BVEYUJHFXOYVMI-NVXWUHKLSA-N 368.315 4.050 0 40 FIAB O=C1C[C@@H](c2ccco2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 96115100 PVSQTOIIUCMCGI-ZDUSSCGKSA-N 374.348 4.200 0 40 FIAB biogenic CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@@H]1CC 100851292 UNBMQQNYLCPCHS-NOLLAJPOSA-N 352.515 4.159 0 40 FIAB CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1 102665927 BDBKUDQKCMZYPV-INIZCTEOSA-N 356.451 4.070 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN(C)c1ccccc1 219323149 OFJQELATHLBESQ-GOSISDBHSA-N 360.885 4.140 0 40 FIAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 223233318 FIMXIJFJDBFBPX-KRWDZBQOSA-N 368.496 4.478 0 40 FIAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1cnccn1 224002669 IJRMXUIYPIZZJL-UHFFFAOYSA-N 360.914 4.319 0 40 FIAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(C)cc1 224465057 PIPDHMQSVDGICA-UHFFFAOYSA-N 365.429 4.496 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1Cl 224466199 HWCYALJLSNIFKM-QGZVFWFLSA-N 361.869 4.309 0 40 FIAB CCCOCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OCC 224707549 FOCFUORTLBGLFC-UHFFFAOYSA-N 371.433 4.035 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1 225478804 KWLGOIHJKDVZRN-OAHLLOKOSA-N 355.507 4.053 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(OC)cc1OC 225702734 PJUOTNLUWNVJOB-QGZVFWFLSA-N 372.490 4.076 0 40 FIAB Fc1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225833025 WRHLKEDCWOPWJI-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1ccc(C)c(C)c1 226103834 URRFBVPNGCYDPM-UHFFFAOYSA-N 362.433 4.263 0 40 FIAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1C 408610137 UZNWBHGOOLXKFE-UHFFFAOYSA-N 374.506 4.059 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 408674113 YKESFTGFGXCLGJ-RDJZCZTQSA-N 351.446 4.467 0 40 FIAB CCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1 409094674 FXGMWXDOYAIMQR-UHFFFAOYSA-N 366.490 4.394 0 40 FIAB NC(=O)/C=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 409416263 UQIUKNSDJSHQLH-VURMDHGXSA-N 366.642 4.180 0 40 FIAB O=C([C@@H]1COc2ccccc2C1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 518962528 BQIYPZUKSLSHPL-JTHBVZDNSA-N 369.464 4.412 0 40 FIAB Cc1cc(N2CCC(c3noc4cc(F)ccc34)CC2)nc(C2CC2)n1 519617912 YUKAFJGGPNAGIM-UHFFFAOYSA-N 352.413 4.327 0 40 FIAB C[C@H]1CCN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CC12CCC2 538489764 SPKXDZCXLPAXIE-LBPRGKRZSA-N 357.376 4.067 0 40 FIAB O=C(O)[C@H](c1ccccc1F)N1CCC(c2c[nH]c3ccccc23)CC1 565106524 ZAPLAJSBQWFMOP-FQEVSTJZSA-N 352.409 4.312 0 40 FIAB CCN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCOC(C)(C)C1 585084885 ZXVMCDDVYOWCBI-SFHVURJKSA-N 353.510 4.141 0 40 FIAB COc1ccc(-c2cc(C(=O)N3C[C@H]4CCC[C@@H]43)nn2-c2ccccc2)cc1 606403358 ZDYUKSZCRQXKGC-UTKZUKDTSA-N 373.456 4.172 0 40 FIAB c1cncc(COCc2cncc3c2CCN(CC2CCCCC2)C3)c1 2055772824 JZKFTMNPCFNBMX-UHFFFAOYSA-N 351.494 4.132 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(C)=O)c1C 716854 ULJFCECINCNQMJ-UHFFFAOYSA-N 365.838 4.342 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(Br)cc2)cc1Cl 939727 DGTOAGMOYCZREN-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB COc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1 1100616 OCEGFNSAIJCZQL-UHFFFAOYSA-N 370.270 4.149 0 40 FIAB CCOC(=O)c1ccc(Oc2c(C)oc3cc(OC)ccc3c2=O)cc1 2096640 BXCWZNQTYWMCML-UHFFFAOYSA-N 354.358 4.079 0 40 FIAB biogenic Clc1ccc(OCCCc2nc(-c3cccnc3)no2)c(Cl)c1 2435404 PASDQYKMAPXPBD-UHFFFAOYSA-N 350.205 4.450 0 40 FIAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cc(Cl)ccc1Cl 2624009 BMWNGOQFLMNZGM-SECBINFHSA-N 367.261 4.155 0 40 FIAB CCc1ccc(-n2nnc(C(=O)Nc3ccc(OC)c(Cl)c3)c2C)cc1 2713337 CMBBQICMBQHMAO-UHFFFAOYSA-N 370.840 4.052 0 40 FIAB CCC(=O)NCCSc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 2721185 VKGAMGFLDMWIFC-UHFFFAOYSA-N 354.475 4.462 0 40 FIAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N1c2ccc(F)cc2CC[C@H]1C 2782042 HYZRSSPMDBXJFS-SECBINFHSA-N 371.790 4.290 0 40 FIAB Cc1nn(C)cc1NC(=O)c1sc2cccc(OC(F)F)c2c1Cl 2794575 NJBSDVVWYNWCDE-UHFFFAOYSA-N 371.796 4.450 0 40 FIAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC1CCCCCC1 3289619 PQLVBGYFACHQJA-UHFFFAOYSA-N 367.445 4.475 0 40 FIAB CCOC(=O)c1csc(NC(=O)c2ccccc2Oc2ccccc2)n1 4070009 YHFWMHDFUNEPTJ-UHFFFAOYSA-N 368.414 4.364 0 40 FIAB O=C(CSc1nccn1Cc1ccco1)Nc1cccc2ccccc12 4248854 UCTYDSNMKIQLKX-UHFFFAOYSA-N 363.442 4.408 0 40 FIAB O=C(CCN1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 4278775 SXFUOLBXSOHECL-GOSISDBHSA-N 371.868 4.097 0 40 FIAB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2C)cc1 4625548 JNLDVYXLLXSEEM-PDGQHHTCSA-N 368.820 4.323 0 40 FIAB CCOc1ccc(-c2cnc(NCc3cc(OC)ccc3OC)n2C)cc1 4678928 JGWPSXNFWSMKBX-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3F)s2)cc1 4695037 QEKGRGUVWZQRCR-DHZHZOJOSA-N 355.394 4.005 0 40 FIAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)Nc2ccc(C)cc2)cc1 4697292 COCMZWLQAPPVOH-ALFLXDJESA-N 360.457 4.319 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4732049 NNKQBHFMETZZNY-GJZGRUSLSA-N 354.425 4.331 0 40 FIAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccco2)o1 4836025 NGLMNRDVSXMWLI-UHFFFAOYSA-N 357.435 4.185 0 40 FIAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1ccc(-c2ccccc2)cc1 4850563 KMDLUYVEYNRVBC-UHFFFAOYSA-N 368.436 4.441 0 40 FIAB CCCNC(=S)N(CCc1nc2ccccc2[nH]1)Cc1ccc(C)cc1 4861863 IRYREOZJQXTMHL-UHFFFAOYSA-N 366.534 4.201 0 40 FIAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1cccs1 5147293 YJDMJEIDKIMNGL-UHFFFAOYSA-N 371.462 4.122 0 40 FIAB CCc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1 5269305 VRLONRVVZYIZCJ-UHFFFAOYSA-N 366.848 4.365 0 40 FIAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2cc(Cl)ccc21 5389299 HFTZFDDKBCAQNK-OAQYLSRUSA-N 371.864 4.174 0 40 FIAB C[C@H]1CCCc2sc3nc(NCCc4ccccc4)n4ncnc4c3c21 5576759 PJTXUCFVZMPRQH-ZDUSSCGKSA-N 363.490 4.433 0 40 FIAB CCOC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(C)=O 6179721 XWLYBYZKUCFPDW-ZHZULCJRSA-N 360.413 4.075 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2nc(Nc3cccc(Cl)c3)c3cnn(C)c3n2)C1 6941334 SHGTVYUZUUOQPD-CHWSQXEVSA-N 370.888 4.243 0 40 FIAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 7061540 PYZWZWKREAJMQY-MRVPVSSYSA-N 363.792 4.212 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1C(C)C 7360706 UTVYIYWMCRVNJJ-UHFFFAOYSA-N 351.493 4.341 0 40 FIAB C[C@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(N)=O 7713637 ZHLWVQPSKWTROK-NSHDSACASA-N 372.475 4.040 0 40 FIAB C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 7990660 IUAMHEXUQIXPPM-NSHDSACASA-N 360.335 4.038 0 40 FIAB COCc1c(C(=O)N[C@H]2CCOc3ccccc32)sc2cccc(F)c12 8061828 XZLPDOAEPUHCDK-HNNXBMFYSA-N 371.433 4.440 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)n1 8476789 XRCAJJGLROGBJH-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)[nH]1)NCc1ccccc1Cl 8769991 JTNLVERLJXWDHD-UHFFFAOYSA-N 357.866 4.139 0 40 FIAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2nonc2-c2ccccc2)cc1 8916064 UFMYGIHMSWIIHR-CQSZACIVSA-N 351.406 4.266 0 40 FIAB Cc1cc(C)cc(OCC(=O)N(Cc2ccco2)Cc2ccc(C)o2)c1 9204755 MMYGLDCOEVEIHN-UHFFFAOYSA-N 353.418 4.406 0 40 FIAB CS(=O)(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 9335668 BFYYXNBNUYPUAT-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C)s1 9691756 NCKBSMYKZUVPRK-UHFFFAOYSA-N 370.396 4.176 0 40 FIAB Cc1nn(C)c(C)c1[C@H]1Nc2ccccc2C(=O)N1[C@@H](C)c1ccccc1 9740423 RVJXRBSDKGAOOT-BTYIYWSLSA-N 360.461 4.365 0 40 FIAB CC[C@H](C)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 12789449 QCOAOHSWOXVLDO-LIRRHRJNSA-N 357.450 4.481 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(F)cc(F)c1 12921619 ATMGABMTMJSKSM-UHFFFAOYSA-N 358.369 4.276 0 40 FIAB COc1ccc(-c2nc(COc3c(OC)cc(C)cc3OC)co2)cc1 12937601 QLUWCYNYLKJRLS-UHFFFAOYSA-N 355.390 4.255 0 40 FIAB Cn1ncc2c(Nc3cccc(-c4nc5ccccc5s4)c3)ncnc21 14233876 YJFWBMGLRJUSDJ-UHFFFAOYSA-N 358.430 4.384 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1C 20029919 RGPRMMAIPOQCGO-CYBMUJFWSA-N 353.871 4.087 0 40 FIAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 20111023 GYWKCRADQUQVFG-MRXNPFEDSA-N 350.462 4.373 0 40 FIAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)C(Cl)(Cl)Cl 20136971 AUOKCJVBJDXXAW-UHFFFAOYSA-N 369.031 4.401 0 40 FIAB Cc1cccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)c1C 21170898 MXGRPAPUIFQKMH-OAQYLSRUSA-N 372.553 4.329 0 40 FIAB Cc1ccccc1-c1oc2ccccc2c(=O)c1I 21997115 QWIFGEFMDMYOIV-UHFFFAOYSA-N 362.166 4.373 0 40 FIAB O=C(Nc1cccc2ccccc12)c1cn2c3c(cccc3c1=O)CCC2 22235220 HLHZWJLGJCSPDB-UHFFFAOYSA-N 354.409 4.353 0 40 FIAB CCn1cc(C(=O)Nc2cc(Cl)ccc2C)c(=O)c2cc(OC)ccc21 22235774 ZAGZSRLVYZLALQ-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB O=C(CSc1ccccc1)Nc1ccn(Cc2ccc(Cl)cc2)n1 28304552 QDUPIKTUSJDKIZ-UHFFFAOYSA-N 357.866 4.316 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)cc2)cc1Cl 30333470 NDIDWTYCFBIUSC-KRWDZBQOSA-N 365.882 4.183 0 40 FIAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCc1ccco1 31423495 BLRHSJMIRPZFBS-UHFFFAOYSA-N 362.838 4.138 0 40 FIAB Cc1ccc(C(=O)N[C@@H](C(=O)N[C@H](C)c2cc(C)sc2C)C(C)C)cc1 31951651 MVNQMZBXOZGSDG-DNVCBOLYSA-N 372.534 4.305 0 40 FIAB CSc1ncc(Cl)c(C(=O)Nc2ccc3oc(C(C)C)nc3c2)n1 32818788 VQTDHEZSAOXZIM-UHFFFAOYSA-N 362.842 4.369 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c(C)s1 32888164 GGDCMKFPVPCQNF-UHFFFAOYSA-N 365.398 4.107 0 40 FIAB Cc1cc(C)cc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)c1 33063850 LBBPLNOGVQOPKQ-UHFFFAOYSA-N 370.449 4.156 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCc1ccnc(N2CCCCC2)c1 33280220 YDUNPQBHPQKWKF-UHFFFAOYSA-N 374.872 4.056 0 40 FIAB N=C(NC(=O)c1cccc(C(F)(F)F)c1)c1cc(Cl)nc(Cl)c1 33376818 GFOGLJXOJKHOMQ-UHFFFAOYSA-N 362.138 4.163 0 40 FIAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2snc(-c3cccc(F)c3)c2N1 35324531 UIIJQPBHBMYIBT-CYBMUJFWSA-N 368.389 4.152 0 40 FIAB Cc1nc2sc([C@@H](c3ccccc3F)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 36066082 RIHOTIFYOPJEQY-BFQNTYOBSA-N 374.485 4.011 0 40 FIAB Cc1nc2sc([C@@H](c3ccccc3F)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36066083 RIHOTIFYOPJEQY-MQIPJXDCSA-N 374.485 4.011 0 40 FIAB COC(=O)C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccc(C)cc1 40017261 QXKJXFWEYDPVHG-INIZCTEOSA-N 365.351 4.048 0 40 FIAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1ccccc1-c1ccccc1 40148990 KARJECADIZGJBP-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB Cc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 46894496 AFGVDWOSXHWPOE-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB Cc1nc(-c2cc(Br)cs2)sc1C(=O)N1CCCC1 48274294 WQPSKQACWCXJDB-UHFFFAOYSA-N 357.298 4.179 0 40 FIAB COc1cc([C@H](C)NC(=O)Cc2c(C)noc2C)ccc1OC1CCCC1 48340736 MKJLFEFSONYSPX-ZDUSSCGKSA-N 372.465 4.041 0 40 FIAB CCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57561409 RYACMFYEFAHESJ-UHFFFAOYSA-N 351.494 4.138 0 40 FIAB Cc1noc(C)c1CN1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 58245036 ULJHJYNNDQQYPO-ROUUACIJSA-N 363.502 4.045 0 40 FIAB CC(C)(C)[C@H](NC(=O)Nc1nncs1)c1cccc(C(F)(F)F)c1 58316864 BRHQLSOVNRTQAK-LLVKDONJSA-N 358.389 4.466 0 40 FIAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1nc2c(C)ccc(C)c2s1 58414228 PPZMZJQZKPCDAO-UHFFFAOYSA-N 364.421 4.303 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Cl)nc1Cl 64933934 SJCZZVNJTRHWOX-UKRRQHHQSA-N 369.223 4.178 0 40 FIAB Cc1cccc(-c2nnc(Cc3nc(-c4ccc(Cl)cc4)no3)o2)c1 67246226 PUPVSCWIIPVTPO-UHFFFAOYSA-N 352.781 4.339 0 40 FIAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc1O 71285882 GUZYOBPBQAHIOB-MRXNPFEDSA-N 359.451 4.304 0 40 FIAB O=C(C1CCC1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349340 KQAWWSKCBYGPSM-SFHVURJKSA-N 352.453 4.318 0 40 FIAB Cc1cc(-n2cnnc2)cc2nc(-c3ccccc3Br)oc12 73639446 NEMMIYQEYKWGNR-UHFFFAOYSA-N 355.195 4.146 0 40 FIAB CC[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2nccn2C(F)F)CC1 78970635 UUCPVRPPTCRAFU-INIZCTEOSA-N 368.859 4.201 0 40 FIAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 100446784 RJEZDBBJBYPFBJ-PTUXOGIPSA-N 374.528 4.356 0 40 FIAB COc1cc2cc(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)[nH]c2cc1OC 101333401 IJSLLKFRKCTFMH-LHSJRXKWSA-N 356.466 4.226 0 40 FIAB CC(C)Oc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)c1 113945569 VNYRGERJXALVLZ-UHFFFAOYSA-N 355.478 4.467 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 169682768 CPVAUVXVNODHPE-NTKGCBCNSA-N 355.743 4.060 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2cc(C)cc(C)c2C)c1C 218968249 TZHVEMJWOOBROI-UHFFFAOYSA-N 355.434 4.114 0 40 FIAB S=C(NCc1ccccc1Cl)Nc1ccc(Oc2ccccc2)nn1 225187681 JHJGNKFWZHSHPE-UHFFFAOYSA-N 370.865 4.409 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 225252421 CHUHJRHBPNIBQH-MRXNPFEDSA-N 353.462 4.048 0 40 FIAB COc1cc(C)c(C(=O)NCCCN(C)c2ccccc2)cc1C(C)C 225668296 JOQJLWMLNVXDQQ-UHFFFAOYSA-N 354.494 4.383 0 40 FIAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225962272 IFXJIDUEIYNWLG-INIZCTEOSA-N 369.538 4.069 0 40 FIAB Cc1cc(CN=c2ccc(-c3cncnc3)c[nH]2)ccc1Oc1cccnc1 542146387 BUVXHMWAWSDMAI-UHFFFAOYSA-N 369.428 4.068 0 40 FIAB Ic1cccc(CNCc2ccc3ncccc3c2)c1 551234735 CNPSXZLOVRNWNG-UHFFFAOYSA-N 374.225 4.129 0 40 FIAB CCn1c(CN2CC[C@@H](c3ccccc3)[C@@H]2C)nc2cc(C(=O)O)ccc21 565103233 DSSZYWJFFMVAIP-MAUKXSAKSA-N 363.461 4.132 0 40 FIAB O=C(N[C@H]1CCCc2c(F)cccc21)N1CCC([C@@H]2CCCCO2)CC1 664975184 SIVLAMPYXYPDOP-PMACEKPBSA-N 360.473 4.194 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ncc(C(C)(C)C)o1 673774762 BXRLGOFZOVGFIP-CQSZACIVSA-N 359.470 4.386 0 40 FIAB C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCOCC2(CCCC2)C1 681475470 DNKISEXBGNCVLI-CQSZACIVSA-N 361.873 4.344 0 40 FIAB CN(C)C1(CNc2nc(-c3ccccn3)nc3sccc23)CCCC1 1654948392 GGTJHXJGSNMACH-UHFFFAOYSA-N 353.495 4.040 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1C 892272 VGJJINXXTAOTAY-UHFFFAOYSA-N 358.511 4.156 0 40 FIAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)OC1CCCCC1 976185 CLXVGKKSRFLGTG-UHFFFAOYSA-N 361.445 4.488 0 40 FIAB COCC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2nc1Cl 1367591 QEDLSEWJXHXBJL-UHFFFAOYSA-N 368.864 4.372 0 40 FIAB Cc1ccc(NC(=O)c2cnc(Nc3nc4ccccc4o3)nc2C)cc1 1839821 SWWMBUDAIQZTTE-UHFFFAOYSA-N 359.389 4.231 0 40 FIAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc(F)cc3)ccc12 2091796 GUVRSTGRRZRWOL-UHFFFAOYSA-N 370.376 4.145 0 40 FIAB biogenic COc1cccc(-c2nc3c4c5c(sc4ncn3n2)CC[C@H](C)C5)c1 2338808 NAABOFQVZFXCFL-NSHDSACASA-N 350.447 4.139 0 40 FIAB CCOC(=O)c1ccc(C(=O)c2cccc(CN3CCCCC3)c2)cc1 2515002 XOIAUMJPZWFULQ-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB O=C1O[C@@H](c2ccco2)N(C(=O)c2ccc(Cl)cc2)c2ccccc21 2741589 WXGPQNLEQUYKEV-SFHVURJKSA-N 353.761 4.449 0 40 FIAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1ccccc1 3049301 CPJAEJWGPRQNLS-UHFFFAOYSA-N 351.431 4.175 0 40 FIAB COc1ccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3517678 BMWLGEWJVOSJDJ-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN1CCC(Cc2ccccc2)CC1 3583009 DXKSZBIDWXBLHL-UHFFFAOYSA-N 372.896 4.242 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1OC 4070491 PNCBTRSAZTWIBZ-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@H](C)C(=O)OC)CCC3 4151976 WDCRBXKCSKPKOD-CQSZACIVSA-N 372.461 4.345 0 40 FIAB CCCCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 4169772 QUBPATUKFNUGIF-UHFFFAOYSA-N 370.453 4.254 0 40 FIAB COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(C(C)C)cc2)c1C 4484197 MOSPOVOORQRGCN-UHFFFAOYSA-N 364.449 4.268 0 40 FIAB O=S(=O)(NN(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4576103 ZMDZEDWTDCETGQ-UHFFFAOYSA-N 358.850 4.372 0 40 FIAB COc1ccccc1NC(=O)c1c(NC(C)=O)sc2c1CC[C@@H](C)C2 4676156 LCFCQFVJIDNISR-LLVKDONJSA-N 358.463 4.092 0 40 FIAB O=C(CSc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)c(Cl)c1 4894847 SCVNTUZPXIMMLC-UHFFFAOYSA-N 365.241 4.205 0 40 FIAB biogenic,in-vitro Cc1csc2nc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)cn12 5084040 LTCJMGCZJFJUJM-UHFFFAOYSA-N 369.471 4.172 0 40 FIAB CC(C)(C)c1ccc(Cn2nnc(-c3ccc(Br)cc3)n2)cc1 5088076 PPOUZYKPEKBYOT-UHFFFAOYSA-N 371.282 4.448 0 40 FIAB O=C(COc1ccccc1Cl)NCCSCc1ccc(Cl)cc1 5245532 AGJDXKDUWMVTNB-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB Cc1ccc(N2C(=N)S/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1C 5601493 VORHXBOXAYMKQI-HTESDGEBSA-N 352.415 4.088 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)n1c(=O)sc2ccccc21 5605034 MXQKXGNFZYACFM-UHFFFAOYSA-N 354.214 4.089 0 40 FIAB COc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@H](c3ccc(OC)cc3)N2N=O)cc1 5882851 KYFMXVBBZSFPFK-YKLJGAPNSA-N 368.433 4.325 0 40 FIAB CN(C[C@@H](O)COCc1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21 5937563 KQIRASASHDWWIA-TZIWHRDSSA-N 359.897 4.227 0 40 FIAB Cc1cc(NC(=O)CSc2nc3ccccc3o2)n(-c2ccccc2)n1 6061060 DGOCRQVNLSWFEF-UHFFFAOYSA-N 364.430 4.053 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2cc(C)n(C)c2C)c1 6084744 XZSZBLJZWFXQMV-UHFFFAOYSA-N 351.855 4.057 0 40 FIAB Cn1c(SCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 6171061 ATOJABACTIDGHF-UHFFFAOYSA-N 350.369 4.188 0 40 FIAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1 6323505 FKDAROXSBLHRHN-UHFFFAOYSA-N 372.490 4.128 0 40 FIAB CCOc1ccc(CN(C)S(=O)(=O)c2c(Cl)cccc2Cl)cc1 7215330 SFGQZZCXHNHRPR-UHFFFAOYSA-N 374.289 4.213 0 40 FIAB Cc1nc(COc2ccc(C(=O)NCc3ccc(F)cc3)cc2)cs1 7921238 LUITVMUKUAKOFQ-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB COc1cc(CNC(=O)Cc2cccc3ccccc23)ccc1OC(F)F 8127119 BNQGNHCGXSQLRX-UHFFFAOYSA-N 371.383 4.309 0 40 FIAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NC[C@@H]1CCCO1 8156945 FKNRADGSJDDQIK-KRWDZBQOSA-N 366.436 4.202 0 40 FIAB C[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccc(-c2ccccc2)cc1 8723610 BMPVEEFTDJWMRK-OAHLLOKOSA-N 361.470 4.483 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1F 9335950 UUUIMDHQEIQPKV-FQEVSTJZSA-N 359.404 4.232 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1C 9581702 JTAAXFHRQWPDOH-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1cc(C)ccc1C 9627554 WJXHRTHKUZIPCF-UHFFFAOYSA-N 357.461 4.459 0 40 FIAB O=C(C(=O)N1CCCC1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 9668667 AIEZNPVESUMLCP-UHFFFAOYSA-N 366.848 4.148 0 40 FIAB CC(C)(C)c1ccccc1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 9902702 ZJFRKGMGBLWOLS-UHFFFAOYSA-N 362.473 4.429 0 40 FIAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1 11914158 OGGAAQDZSIKDKC-UHFFFAOYSA-N 351.406 4.476 0 40 FIAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccnc4)=NN23)cc1 12311683 YXXVULQHELFXFJ-IRLDBZIGSA-N 357.413 4.333 0 40 FIAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 12533297 MGNOTVSBUICNCM-UHFFFAOYSA-N 372.424 4.448 0 40 FIAB Cc1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Br 12556387 QBOUAEWDLNHWFF-KRWDZBQOSA-N 359.267 4.189 0 40 FIAB Cc1c(Cl)c(CN2C(=O)NC3(CCCCCC3)C2=O)nc2ccccc12 12908491 CGAPIYIHTHPIMU-UHFFFAOYSA-N 371.868 4.341 0 40 FIAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 12917057 OLWCZIYAEHZNME-UHFFFAOYSA-N 370.880 4.062 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccccc2C)cc1 13002027 WKAOWMZUJYSYOS-PGRDOPGGSA-N 366.505 4.408 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2cccs2)cc1O 13843300 GQFWQYFFINNRTC-UHFFFAOYSA-N 366.442 4.196 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc2sccc2c(=O)[nH]1 14094187 CFWRASUFTJCOFM-SNVBAGLBSA-N 369.471 4.138 0 40 FIAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C(=O)O)cc3)c2c1 19792060 KDYOWDNWVRCKES-UHFFFAOYSA-N 350.374 4.162 0 40 FIAB Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN1CCc2ccccc2C1 19793458 AEAQJUUHRYXYRZ-UHFFFAOYSA-N 352.865 4.357 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NCc2cc(Br)cs2)c1 20369958 YZFPTSLAHNSGTF-SNVBAGLBSA-N 353.285 4.320 0 40 FIAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc(Cl)c1 20610337 QINFDCLKIXXLOG-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB O=C(CCCc1nc2ccccc2s1)N1CCC[C@@H]1c1ccncc1 23076404 VXXSCBGQMWJFEA-QGZVFWFLSA-N 351.475 4.378 0 40 FIAB CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1 23100110 HCGVDFBNRGMARN-PXNSSMCTSA-N 368.477 4.205 0 40 FIAB O=C(NCCCCc1ccccc1)N[C@H](c1ccccc1)c1ccccn1 29334204 UCXKAZUUMJUNBT-JOCHJYFZSA-N 359.473 4.493 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)COc2ccc(F)cc2Cl)cc1 32778161 ACQGGXOLMPVBRW-UHFFFAOYSA-N 373.815 4.050 0 40 FIAB Cc1cnc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)s1 40129158 WQOOQJICMWHUPV-UHFFFAOYSA-N 369.494 4.389 0 40 FIAB COCCCC(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 40129587 HWMMBNRTJYDTLA-UHFFFAOYSA-N 369.284 4.246 0 40 FIAB CN(C)c1c(F)cc(NC(=O)c2cccn2Cc2cccs2)cc1F 54118421 CNWHUVYLJRZOKB-UHFFFAOYSA-N 361.417 4.194 0 40 FIAB COc1ccc(NCN2C(=O)S/C(=C/c3ccc(C)cc3)C2=O)cc1 59502363 PEKAUJCRDCKXIU-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB Cc1cc(C)n(CC(=O)Nc2cccc(CO[C@H]3CCC[C@@H](C)C3)c2)n1 62922087 HKWJPZOYDCWUBK-QRWLVFNGSA-N 355.482 4.234 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)N(Cc1ccco1)C1CCCC1 65553793 IUBRWGKVHFXVGF-LJQANCHMSA-N 371.481 4.164 0 40 FIAB Cc1cc(SCC(=O)NC2CCCCC2)nc(-c2cccc(F)c2)n1 67257248 GITDZXFYDZTJTQ-UHFFFAOYSA-N 359.470 4.132 0 40 FIAB CC(C)N(C[C@@H]1C[C@H]1C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 72304744 YOTZCPVIGBHZKI-CVEARBPZSA-N 363.465 4.319 0 40 FIAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)C2CCCC2)n1 72354823 DVEBOMXVDVKSNR-QGZVFWFLSA-N 370.884 4.233 0 40 FIAB O=C(c1cccs1)N1C[C@@H]2CCCCN(Cc3cccc(F)c3)[C@@H]2C1 72399165 PYYJZMHONYYQPE-FUHWJXTLSA-N 358.482 4.014 0 40 FIAB Cc1csc(-c2cccc(NC(=O)N[C@@H](C)C(C)(C)CN(C)C)c2)n1 75110221 SLJPAXSOSKMZBI-AWEZNQCLSA-N 360.527 4.216 0 40 FIAB Cc1cc(Br)oc1C(=O)NCC1(c2ccc(F)cc2F)CC1 89606812 RUDRAHCQOPYTLC-UHFFFAOYSA-N 370.193 4.090 0 40 FIAB O=C(Nc1cccc(OC(=O)C2[C@H]3CCCC[C@@H]23)c1)C1[C@H]2CCCC[C@H]12 100290428 SDNLVBMBXWAERR-YLQJXANPSA-N 353.462 4.403 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1Cl 103718009 FOQMZJRPXMQVAZ-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1OC 214358014 QPLBDFJULVPYAJ-MHWRWJLKSA-N 373.405 4.079 0 40 FIAB Cc1ccccc1NC(=O)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219245622 BACNYIMHECMJJJ-LJQANCHMSA-N 370.474 4.436 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223199750 QFPONFTZTICEQN-YCRPNKLZSA-N 353.462 4.219 0 40 FIAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223403619 AQHUNKBATRXIKT-FQEVSTJZSA-N 372.896 4.202 0 40 FIAB Cc1cccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1C 223658300 PFLHYDCZTZEHGG-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CC1CCN(c2ccc(NC(=S)N[C@@H](C)c3ccccc3)cn2)CC1 223957498 ABTJDMUZIXCVKA-INIZCTEOSA-N 354.523 4.366 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SC)s1 223960042 BTFFCUXMWKESQD-AWEZNQCLSA-N 359.476 4.209 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224419487 NQRUXIRWJTZKFR-MSOLQXFVSA-N 353.422 4.299 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224623262 OIQURZKAQKACAJ-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB COc1ccc(OCCNC(=O)[C@H](C)Cc2cccc3ccccc23)cc1 224942472 IIQUHVNJQORSFS-QGZVFWFLSA-N 363.457 4.222 0 40 FIAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cn1 225507947 OZEWOYLWRGGUNG-FQEVSTJZSA-N 363.486 4.475 0 40 FIAB COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)cc1Cl 225635280 ZBUDURTVJMLOTK-ZDUSSCGKSA-N 364.898 4.411 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)OC)cc1 225843490 MNWJKVZIOPKKFQ-FQEVSTJZSA-N 367.445 4.148 0 40 FIAB S=C(Nc1ccc2c(c1)OCCO2)NC1(c2ccccc2)CCCC1 225857630 IZSRKPVVUDTTPA-UHFFFAOYSA-N 354.475 4.214 0 40 FIAB CCSc1ccc(C(=O)[C@H](Br)CBr)cc1 382685128 FAHHXQQODZOWAV-SNVBAGLBSA-N 352.091 4.140 0 40 FIAB Cc1cccc(CN(Cc2ccco2)C(=O)Cn2cnc3ccccc32)c1 512479458 GRHDSUYVFSPRSE-UHFFFAOYSA-N 359.429 4.167 0 40 FIAB O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)N1CCCC(F)(F)CC1 626516143 ZUWJKCQLZRWURZ-UHFFFAOYSA-N 374.435 4.478 0 40 FIAB COc1ncccc1CN1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 2037988883 MNQNNOCPFSUUSW-QFIPXVFZSA-N 369.484 4.253 0 40 FIAB CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 678990 ZKQXOZFRSLNNNT-UHFFFAOYSA-N 367.257 4.323 0 40 FIAB CSc1ccccc1NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 814841 VXTNZIGEFBFARF-CQSZACIVSA-N 364.829 4.333 0 40 FIAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)C2CC2)c(C)c1 1332348 LJNXKRPBTJRWNT-UHFFFAOYSA-N 354.475 4.383 0 40 FIAB CCC[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2511601 VQAFHGLNHSVMSP-AWEZNQCLSA-N 353.418 4.169 0 40 FIAB O=C1CS[C@H](c2cccc(Br)c2)N1c1ccc(F)cc1 2947451 WXJZCKIIORSEET-OAHLLOKOSA-N 352.228 4.367 0 40 FIAB O=C(CSc1nnc(-c2ccco2)o1)Nc1cc(Cl)cc(Cl)c1 3351410 CXTZEWRVPGVBFR-UHFFFAOYSA-N 370.217 4.367 0 40 FIAB CC[C@H](C)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 3580110 WPLTWRAFNCSOIM-ZDUSSCGKSA-N 372.519 4.003 0 40 FIAB COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)c1cccs1 4487802 FZTWDSKIKVDHSC-UHFFFAOYSA-N 370.405 4.400 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C)cc2)n2ncnc2N1 4705297 WAJRPCCTTHLAPQ-HXUWFJFHSA-N 373.460 4.131 0 40 FIAB CCN(CC)C(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC(C)=O)ccc3CC[C@H]12 5023971 VKVVOFVFODCHHI-PMVMPFDFSA-N 371.521 4.491 0 40 FIAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCCC1 5288261 QAANZRCIQCXYGS-UHFFFAOYSA-N 355.488 4.073 0 40 FIAB COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 5526458 QFQJRQWJMMEBGW-VQHVLOKHSA-N 350.201 4.432 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(Br)c1 6422935 TUPOJCICRLBNRD-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 6553449 CZSZBUKUTLUFFB-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB CSc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2c1 6581265 PZBLAOIRMZWIPX-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB COc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1OC 6607291 AIXYHXGBKBBEJY-UHFFFAOYSA-N 353.443 4.362 0 40 FIAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(Cc4ccccc4)nc3c12 6759889 KGMNHCCDHQBEJJ-UHFFFAOYSA-N 367.456 4.335 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(C)c(C)c1)C(C)C 6778660 VMADNGQWJWIEKY-FQEVSTJZSA-N 368.477 4.095 0 40 FIAB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 7055819 KZWTXDMJKWQPKN-UHFFFAOYSA-N 371.458 4.438 0 40 FIAB C[C@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1Br 8088468 NBQKQJXVJVVUSZ-NSHDSACASA-N 368.658 4.359 0 40 FIAB C[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)NCc1cccs1 8258029 NAEGIDLIRKPURN-LLVKDONJSA-N 369.471 4.235 0 40 FIAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nccs1 8709439 PMJMINFHSWDZAJ-UHFFFAOYSA-N 365.867 4.393 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 8816545 MTYMLRGPBNUDON-CVEARBPZSA-N 366.461 4.200 0 40 FIAB COc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 9063279 CXMGESNPJRLPCL-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)cc1 9273242 OMDJOFABBXMAHS-UHFFFAOYSA-N 358.449 4.070 0 40 FIAB COc1cc(OC)c(N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 9513764 WABSNUJPWGRDLQ-SECBINFHSA-N 370.783 4.075 0 40 FIAB CCc1ccccc1OCC(=O)N(C)[C@H](C)c1nc2ccccc2s1 9739815 GCPKYUHOFQLGQW-CQSZACIVSA-N 354.475 4.457 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 10684246 YGAJRIMODPVFTQ-KGLIPLIRSA-N 374.868 4.274 0 40 FIAB CCOc1ncccc1C(=O)OCc1cc2ccc(OC)cc2nc1Cl 11480538 UYEYXCSEPANVAK-UHFFFAOYSA-N 372.808 4.048 0 40 FIAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2F)CC1 12533760 XSRIHFMKQOMSJP-UHFFFAOYSA-N 368.383 4.187 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(Oc2ccccn2)cc1 12540976 PNOKCXINMCGWRW-MRXNPFEDSA-N 360.413 4.231 0 40 FIAB CC(=O)N1CC=C(c2ccc(Oc3ncnc4sccc34)cc2)CC1 12752332 MUTQXQZXMXOORO-UHFFFAOYSA-N 351.431 4.119 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 14574834 QLGPCCKJHAFXMH-LLVKDONJSA-N 350.340 4.155 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2nc1N1CCCC1 14728761 YYDVKDLXRSKBBS-UHFFFAOYSA-N 366.852 4.065 0 40 FIAB CC(C)c1nc2nc(C(F)(F)F)nn2c(N)c1-c1cccc(Cl)c1 20638458 IOFQAFXOFBDYRJ-UHFFFAOYSA-N 355.751 4.169 0 40 FIAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1cccc(C(=O)N(C)C)c1 21139239 FYJCJXYIGSAAKE-UHFFFAOYSA-N 365.458 4.073 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)c1occc1-c1ccccc1 22836641 RKQXOWWRZBNXTP-UHFFFAOYSA-N 360.457 4.341 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N2CCc3ccccc32)c1 23224075 VXANTTMLVIZNNO-MRXNPFEDSA-N 363.486 4.251 0 40 FIAB Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 24931213 DZYGCLWMQZRWKH-QGZVFWFLSA-N 351.475 4.109 0 40 FIAB COC(=O)C1(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CCCCC1 24970943 DEYBTEMTWNBWGC-UHFFFAOYSA-N 361.438 4.160 0 40 FIAB Cc1nn(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)c(C)c1Cl 28243930 AZVQEAVCTFQKDM-UHFFFAOYSA-N 369.808 4.124 0 40 FIAB O=C(Cc1ccccc1)NCCc1csc(-c2ccc(Cl)cc2)n1 28288020 KNVRGCKSJARZTC-UHFFFAOYSA-N 356.878 4.365 0 40 FIAB Cc1nc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)sc1-c1ccccc1 31968233 VGRNUYSBBVPMHW-XYPWUTKMSA-N 354.475 4.452 0 40 FIAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CC(=O)N(C2CC2)C1 32717001 HOOLDPTUJQRTHM-CYBMUJFWSA-N 370.836 4.082 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)N(C)C 33026544 STWWCCUZLUPTTK-WFASDCNBSA-N 368.955 4.301 0 40 FIAB O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 33565879 SZLKCHMWODCZIF-UHFFFAOYSA-N 359.429 4.303 0 40 FIAB COc1cccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 35311596 SOWIGRPBMOLNMQ-UHFFFAOYSA-N 372.852 4.475 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 36400871 CRLAIAQPBJRWEB-XMSQKQJNSA-N 366.505 4.326 0 40 FIAB COc1ccc(NC(=S)Nc2ccccc2F)cc1N1CCCCC1=O 36846377 GJLWNRFGKORCET-UHFFFAOYSA-N 373.453 4.160 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 38500704 KQGGILFPISGDBQ-ZBFHGGJFSA-N 373.472 4.355 0 40 FIAB C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccc2c(c1)CCC(=O)N2 45978591 DBVXQEQXSKGQJD-GFCCVEGCSA-N 354.475 4.003 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)Nc3cnc4ccccc4c3)o2)cc1 48285701 ZKGMNQSCYDOJBY-UHFFFAOYSA-N 358.401 4.165 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O 48326151 TWKVQNWHVWETAY-GDNBJRDFSA-N 357.841 4.024 0 40 FIAB COc1cccc(CNCc2cccc(NC(=O)C3CCCC3)c2)c1OC 48781186 YRKRODVJHDCYIK-UHFFFAOYSA-N 368.477 4.122 0 40 FIAB O=C(Cc1csc(Nc2ncccn2)n1)Nc1cccc2ccccc12 49450239 XZHGKYPOXUNVPE-UHFFFAOYSA-N 361.430 4.011 0 40 FIAB O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1nncs1 54194816 PBJCHJVWPQZVHV-OWOJBTEDSA-N 367.274 4.228 0 40 FIAB CNC(=O)c1cc(NC(=O)c2cc(Cl)cc3cccnc23)ccc1Cl 55689656 WFWSSUCFHLESRD-UHFFFAOYSA-N 374.227 4.154 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)c1cc2ccccc2o1 57993699 FODSKMNFLQGHOI-CQSZACIVSA-N 365.433 4.326 0 40 FIAB CCc1ccc2nc(NC(=O)c3cnn(CC)c3C(F)(F)F)sc2c1 58227162 TYHXISLTOARQTP-UHFFFAOYSA-N 368.384 4.346 0 40 FIAB COc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1OC(C)C 58305323 OSCHJUPTGACWMN-FPOVZHCZSA-N 369.461 4.133 0 40 FIAB CN(C[C@H]1CCCN(c2nc3ccccc3s2)C1)C(=O)OC(C)(C)C 59949646 JYIYRNZIKPAVEP-CQSZACIVSA-N 361.511 4.380 0 40 FIAB CO[C@@H](CNCc1c(C)nn(-c2ccc(F)cc2F)c1C)c1ccccc1 71821855 HYEIBDFWKNWRTL-NRFANRHFSA-N 371.431 4.245 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(=S)[nH]c2C)cc1 72218419 MNOIHRLKUWKXRY-KRWDZBQOSA-N 362.520 4.277 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)cc1 72329550 XIMYDTPPDOLMOH-CYBMUJFWSA-N 368.408 4.191 0 40 FIAB O=C(c1cccnc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349103 HIVYJVDKCRWJFF-UHFFFAOYSA-N 357.457 4.087 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356058 IWBAFRJKQBUNPE-QFIPXVFZSA-N 371.484 4.396 0 40 FIAB Clc1ccc(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377607 RTPDUPDIFIJUQO-KRWDZBQOSA-N 366.856 4.001 0 40 FIAB C[C@H](C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)n1cccn1 83927636 ZDIYYGCBPOGMNJ-FOIQADDNSA-N 365.502 4.290 0 40 FIAB C[C@H](COCC(F)(F)F)NC(=O)Nc1ccccc1N(C)C1CCCC1 84640482 HRFLNDPEPXHVQC-CYBMUJFWSA-N 373.419 4.154 0 40 FIAB Clc1ccc(-c2cc3ncnc(NC[C@H]4CCOCO4)c3s2)cc1 89793814 NJCXOZLGJYBXCA-CYBMUJFWSA-N 361.854 4.187 0 40 FIAB COc1ccc(CCNC(=O)N(Cc2ccoc2)Cc2cccs2)cc1 90612247 QKFVSGJMXGCIES-UHFFFAOYSA-N 370.474 4.304 0 40 FIAB CN(C(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O)C1CCCCC1 95427641 CNUFJHJGWUCHOL-UHFFFAOYSA-N 374.484 4.455 0 40 FIAB Cc1cccc2c1C(=O)NCCN2C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 95458590 RFTXBXHZHHEWHS-PMACEKPBSA-N 370.452 4.028 0 40 FIAB Cc1cc(NC(=O)[C@@H](Cc2ccccc2)C(C)C)ccc1N1CCOCC1 96009009 AQDOJZPUGIPZDF-NRFANRHFSA-N 366.505 4.285 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 110538360 DCYXTQSPAOVLME-NUXNZHGMSA-N 358.482 4.433 0 40 FIAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1C 219205355 ACRGRPTUADSNNK-HXUWFJFHSA-N 350.462 4.311 0 40 FIAB COc1cc(CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)ccc1OC(C)C 219509820 BWHMVLCTVQMYLD-KRWDZBQOSA-N 371.477 4.183 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(C)cc1C 222571585 CFEIGHVPBBSOJU-GOSISDBHSA-N 361.507 4.358 0 40 FIAB O=C(CSCc1ccc(Cl)cc1)NCCOc1ccc(Cl)cc1 223405999 INZYHLZCORVPTC-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Oc1ccccc1Cl 223783318 XAFZMOYZPPROFN-OAHLLOKOSA-N 361.869 4.426 0 40 FIAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(Cc2ccncc2)cc1 224174638 FKKIJJMVYVLMKW-UHFFFAOYSA-N 372.877 4.268 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccccc1 225187941 RLSMMFGWEOAKSQ-AWEZNQCLSA-N 350.447 4.317 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 225390178 NCMGOTWXVNVUAE-SFHVURJKSA-N 355.478 4.389 0 40 FIAB S=C(NCCCN1CCCCC1)Nc1ccc(OC2CCCC2)cc1 225411139 UCWXHTFBGHOLRB-UHFFFAOYSA-N 361.555 4.170 0 40 FIAB CO[C@@H](CNC(=O)c1nc2ccccc2s1)c1ccc(Cl)s1 225702015 ZPQZMUJFUQDYLT-JTQLQIEISA-N 352.868 4.129 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)CCc3ccccc3)c2)cs1 226097810 OIZYPRQJTVPPQJ-UHFFFAOYSA-N 367.474 4.432 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1Br 226273572 GMNLJRYYSLCELL-LLVKDONJSA-N 364.239 4.153 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC)c(OC)c3)N21 260774996 OQOJDEFNAWCCCX-CCKFTAQKSA-N 369.490 4.078 0 40 FIAB CCOc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@H](CC)N21 260784124 UYDQDJDBWUKODL-GDIGMMSISA-N 353.491 4.460 0 40 FIAB CCN1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 408574643 MDJQJFHEEIVKAZ-UHFFFAOYSA-N 374.937 4.232 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408706733 CWEOFKYYAIUPDS-BZPMIXESSA-N 369.292 4.041 0 40 FIAB CN(C)c1oc(/C=C2\Sc3ccccc3NC2=O)cc1Br 409106885 PUHFVNDUBSMDEO-JYRVWZFOSA-N 365.252 4.193 0 40 FIAB O=C(c1ccc(-n2ccnc2)cc1)N1CC2(CCCC2)c2c(F)cccc21 523335562 BUBAOSDBTGXTKQ-UHFFFAOYSA-N 361.420 4.484 0 40 FIAB CCOC[C@H]1CN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CCO1 529092967 VDSCORDDUJEEML-LJQANCHMSA-N 374.868 4.276 0 40 FIAB COc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)C(C)C)cc1 585106142 RFNHYFHGUUGRSG-UHFFFAOYSA-N 365.473 4.413 0 40 FIAB C[C@@H](COc1ccccc1F)NC(=O)c1cnc(Cc2ccccc2)s1 1322458599 HJAAESQJOVLXFH-AWEZNQCLSA-N 370.449 4.070 0 40 FIAB COc1cccc(-c2noc(C3CCN(Cc4ccc(F)cc4)CC3)n2)c1 1888941658 VJFXGPGBGSXPLN-UHFFFAOYSA-N 367.424 4.264 0 40 FIAB CC(C)C(=O)N1CCCCCCCNCc2cc(-c3cncnc3)ccc21 2037931578 SEPYNAFUSRWQQK-UHFFFAOYSA-N 366.509 4.186 0 40 FIAB COc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 903113 LOMXFKBCEIHFTJ-UHFFFAOYSA-N 354.431 4.003 0 40 FIAB CCN(C1CCCCC1)S(=O)(=O)c1cc(C)c(Br)cc1C 944413 SKBWBBKHCOPAIW-UHFFFAOYSA-N 374.344 4.409 0 40 FIAB CCOC(=O)c1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1 1249539 OFLRGFMIYHDLDP-UHFFFAOYSA-N 362.433 4.317 0 40 FIAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc(Cl)c1 1511192 XNURUVXAPBULGD-ZSOIEALJSA-N 362.610 4.447 0 40 FIAB Cc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(C)c1 1782122 OEPSHIBLOQAPTN-UHFFFAOYSA-N 364.445 4.099 0 40 FIAB Cc1cccc2cc3c(NC(=O)c4ccc(Cl)cc4)nn(C)c3nc12 2211311 VWSITMSADVWKEK-UHFFFAOYSA-N 350.809 4.336 0 40 FIAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 2468237 UYBSJCNZCDOVEJ-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB C[C@]12C[C@H](NC(=O)N1c1cccc(Br)c1)c1ccccc1O2 2498579 JXCLGMHQCOWAKU-YOEHRIQHSA-N 359.223 4.219 0 40 FIAB CC(C)CNC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2734308 UEFXZVYJNIQVBU-UHFFFAOYSA-N 370.456 4.449 0 40 FIAB COc1ccc2nc(SCC(=O)c3c(C)[nH]c4ccccc34)[nH]c2c1 3534352 BONWLUDXHAFBBK-UHFFFAOYSA-N 351.431 4.336 0 40 FIAB Fc1ccc(-c2ccc3nnc(SCc4cccc(F)c4)n3n2)cc1 4376651 VXOFXHOWARFTRU-UHFFFAOYSA-N 354.385 4.362 0 40 FIAB COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cccs3)C[C@H]21 4451626 VBQPDDRNBZLLTM-OXQOHEQNSA-N 363.442 4.394 0 40 FIAB CCn1c(SCC(=O)N(C)Cc2ccccc2C)nc2ccccc21 4484571 VBTXKPTULGLVDG-UHFFFAOYSA-N 353.491 4.115 0 40 FIAB COc1cccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)c1 4496873 JAVQHAPKWVPVHX-UHFFFAOYSA-N 373.409 4.005 0 40 FIAB COc1cccc([C@H]2C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c1 4716249 MJYAYQOMSQGPGC-HZPDHXFCSA-N 358.804 4.226 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 4857261 XPTPURYEAYOIHR-YQQQUEKLSA-N 369.534 4.460 0 40 FIAB CCCC[C@@H](CC)CN[C@@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)O 5258189 AQRMKBDWTNVPES-PBHICJAKSA-N 368.905 4.236 0 40 FIAB CCOc1ccccc1NC(=O)Nc1cn(CCOC)c2ccccc12 5266494 QDRKLANUDKFLRM-UHFFFAOYSA-N 353.422 4.330 0 40 FIAB O=C(Nc1ccccc1C(=O)Nc1cccc(Cl)c1)c1ccccn1 6584956 OYGASSGVSOTWRL-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)S[C@@H](C)C(=O)N2 6678900 ITVRHVUHBLHFBK-UGSOOPFHSA-N 367.449 4.483 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)[C@@H]1c1cccs1 6875795 UPJIEJCSBKRROX-MOPGFXCFSA-N 370.518 4.209 0 40 FIAB CCOc1ncccc1C(=O)Nc1nc(-c2cc(C)ccc2C)cs1 7007286 HOOLJLZAJDVUKK-UHFFFAOYSA-N 353.447 4.473 0 40 FIAB C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)N1CCCC1 7220529 UYOVLCBKBHKGIE-OAHLLOKOSA-N 365.502 4.310 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccc(CN(C)C)cc1 7437569 PNDLPKFVTNDXRH-UHFFFAOYSA-N 371.531 4.172 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)/C=C/c1cccs1 7511184 WXJLLXPOMSRAJE-MDZDMXLPSA-N 356.399 4.428 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1C 7638656 WCGQYGMXEJEGIQ-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB Clc1snnc1CSc1nnc(Cc2cccs2)n1C1CC1 8128455 XLBVVBNRQDBFGX-UHFFFAOYSA-N 369.928 4.063 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC3CCCC3)cc12 8325476 MPCVOLZIZVOEMJ-UHFFFAOYSA-N 357.454 4.266 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(C[C@@H](C)c2ccccc2)s1 9095450 ZZCGAOOETOXQBC-CABCVRRESA-N 367.474 4.290 0 40 FIAB COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 9141890 RQJBHTYWPABLLB-UHFFFAOYSA-N 360.413 4.129 0 40 FIAB COc1cc(C(=O)O[C@@H](C)C(C)=O)ccc1OCc1ccccc1Cl 9179437 HJGRYMSXRDEMTF-ZDUSSCGKSA-N 362.809 4.062 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 9317435 UDVFFZAQKAYDII-OAHLLOKOSA-N 372.428 4.327 0 40 FIAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccc2c(c1)OCCO2 9356041 MTHKSAQAQHOFIG-UHFFFAOYSA-N 373.865 4.199 0 40 FIAB COc1ccc(-n2nc(Nc3ccccc3F)c3c2CCCC3=O)cc1 10156831 KDZVWAKICSGBMT-UHFFFAOYSA-N 351.381 4.283 0 40 FIAB COc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccno3)sc2c1 10254158 LHENYFNUOWYJJV-UHFFFAOYSA-N 365.414 4.140 0 40 FIAB CC(C)c1nnc(SCC(=O)N2c3ccccc3CC[C@@H]2C)n1C1CC1 10928703 WVPZCHHNTPISML-AWEZNQCLSA-N 370.522 4.196 0 40 FIAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccnc1 11566013 GFJRSWVJMAHWMO-UHFFFAOYSA-N 362.495 4.493 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Sc2nc(CCC3CCCC3)n[nH]2)cc1 12104969 JXPWIIBHXHZDRT-ZDUSSCGKSA-N 374.510 4.055 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccccc1Br 12770219 WIADGELQYIZRHO-UHFFFAOYSA-N 351.269 4.427 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1Cl 13014698 CXLQBHSBRIRYMM-OAHLLOKOSA-N 362.882 4.343 0 40 FIAB CC(=O)N1CCc2cc(N[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc21 15477475 LXHAZYWJRZZAQV-AWEZNQCLSA-N 362.433 4.127 0 40 FIAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1 16024083 ALORAJDSJLSZLI-LPHOPBHVSA-N 358.441 4.070 0 40 FIAB O=C(N1CC[C@H](c2ccccc2)[C@H]2NCCCC[C@H]21)C1(c2ccccc2)CC1 19373887 YVMLIJWSCLNDBR-DNVJHFABSA-N 374.528 4.245 0 40 FIAB Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)C2CCCCC2)c1C 19558116 YRVCMOAPRSAYTN-GOSISDBHSA-N 370.497 4.326 0 40 FIAB COc1ccc2[nH]c(CN(Cc3ccccc3)C3CCN(C)CC3)cc2c1 19715862 QDSCMOLCCOQTKS-UHFFFAOYSA-N 363.505 4.273 0 40 FIAB CC(C)(C)c1ccc(C=NNC(=O)CSc2nc3ccccc3o2)cc1 20468243 MYXXASRZSOHRIZ-UHFFFAOYSA-N 367.474 4.368 0 40 FIAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCc2ccccc21 21278064 LZOUPKREXQLIBJ-UHFFFAOYSA-N 351.409 4.500 0 40 FIAB O=C(NCc1ccccc1CN1CCCC1)c1cc(F)c(F)cc1Cl 21639704 JMKDOFFWJWTTBZ-UHFFFAOYSA-N 364.823 4.144 0 40 FIAB Cc1cc(Cl)ccc1Nc1nc(N2CCCCC2)nc2c1cnn2C 21873482 ACBULJPOOKVPAS-UHFFFAOYSA-N 356.861 4.059 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@@H](c1ccco1)N1CCCC1 22089105 BISYYRCOAMRFGY-NRFANRHFSA-N 364.493 4.009 0 40 FIAB CC(C)Oc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 22509532 KMPQBJOLSFLBEV-UHFFFAOYSA-N 368.260 4.476 0 40 FIAB Clc1ccc(N2CN(C[C@@H]3CCCO3)CN=C2c2ccccc2)cc1 22609102 DFSMJXMVKVSOHB-IBGZPJMESA-N 355.869 4.003 0 40 FIAB COc1ccc(F)cc1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 23578389 LROWKLRNOXVMRR-LBPRGKRZSA-N 355.365 4.052 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCC2)cc1 27794331 DDHJDFGOZKYRKS-JOCHJYFZSA-N 366.505 4.349 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(N2CCCC2=O)cc1 29024981 LXGHQQDNNXDBLS-UHFFFAOYSA-N 364.445 4.387 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCCCc2cccc(C)c2)cc1OC 30863785 WEKZACCUBQROKS-MRXNPFEDSA-N 373.518 4.242 0 40 FIAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)[C@@H]1C[C@@H]1c1ccccc1 32610598 JIUNWDOLXSHIIR-IAGOWNOFSA-N 369.827 4.466 0 40 FIAB COc1ccccc1C(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 32676759 RPZCOXBLWUHYMJ-MRXNPFEDSA-N 362.429 4.160 0 40 FIAB C[C@H](SC[C@H]1CCCO1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 32778807 NYSXFWVBPPKYFJ-WDEREUQCSA-N 362.476 4.218 0 40 FIAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(COCC(F)(F)F)cc1 32869085 NTVGLWIXVQOTQJ-UHFFFAOYSA-N 363.257 4.435 0 40 FIAB Clc1ccc(CNc2cnnc(NCc3ccc(Cl)cc3)n2)cc1 36077448 NLQJOEUCJRYSQL-UHFFFAOYSA-N 360.248 4.403 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2cccc3cn[nH]c23)cc1 40059000 BOBFAHQXZAKFBM-UHFFFAOYSA-N 366.421 4.091 0 40 FIAB CC(C)C(=O)Nc1ccc(-c2csc(-c3ccc(C(N)=O)cc3)n2)cc1 40118794 ZWFPFWSLRCPMPX-UHFFFAOYSA-N 365.458 4.171 0 40 FIAB O=C(Nc1nncs1)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 43130034 NRDDRJJGDFSJFL-INIZCTEOSA-N 370.503 4.390 0 40 FIAB COc1ccccc1CCCNC(=O)c1ccc(CN2CCCCC2)cc1 44906700 AOPACGKBACYQFQ-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB COc1c(N)cc(-c2nc3ccc(F)cc3s2)cc1Br 45920014 DGPBSUGDCKNLHG-UHFFFAOYSA-N 353.216 4.456 0 40 FIAB c1csc(-c2cc(-c3nn4c(-c5ccsc5)nnc4s3)n[nH]2)c1 66088302 RWDWOGAHHYSRLS-UHFFFAOYSA-N 356.461 4.033 0 40 FIAB COc1ccc(NC2=NC(=O)S/C2=C\c2ccc3nccnc3c2)cc1 71284760 XTXCQNNSZYXNBH-BOPFTXTBSA-N 362.414 4.357 0 40 FIAB CC(C)(C)c1noc(C2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 71890033 MYDYEBKHLMDFJZ-UHFFFAOYSA-N 354.372 4.482 0 40 FIAB Cc1cc(NC(=O)N(C)Cc2ccccc2)ccc1N1CCSCC1 72062300 UNFKXCWSGAXPBW-UHFFFAOYSA-N 355.507 4.212 0 40 FIAB O=S(=O)(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccccc1Cl 75106840 ZAVPDJJGRFBLSS-UHFFFAOYSA-N 361.854 4.285 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C)cc2)c(OC)c1 75957232 DODZYKOPGBOEOY-LJQANCHMSA-N 369.465 4.139 0 40 FIAB CCC(=O)Cn1c(SCCOc2ccc(OC)cc2)nc2ccccc21 76555390 YVDFMYJZZDZNLN-UHFFFAOYSA-N 370.474 4.195 0 40 FIAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCCCCCC1 84370719 TZWKDLPSMMXWGM-LIPMQLJGSA-N 374.569 4.136 0 40 FIAB CCCn1nc(C)c(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1C 84759122 VSBUEKVSOONKCH-AWEZNQCLSA-N 373.497 4.198 0 40 FIAB CC(=O)Nc1cccc(NCc2cn(C)nc2-c2cc3ccccc3o2)c1 89265592 VTOOAFLARGMOKR-UHFFFAOYSA-N 360.417 4.404 0 40 FIAB Cc1cccc(C)c1OCC(=O)NCc1ccc(Oc2ccccc2)nc1 89688869 NARQHGDRJTYMHG-UHFFFAOYSA-N 362.429 4.186 0 40 FIAB Fc1ccc(F)c(C2=NO[C@H](c3nc(-c4ccc(F)c(F)c4)no3)C2)c1 95959377 NIJGFHWOGRXJFO-HNNXBMFYSA-N 363.270 4.159 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccccc2F)c1 219576087 KDHOCWBCYAVSMZ-QGZVFWFLSA-N 359.397 4.107 0 40 FIAB CCOC(=O)c1ccc(NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219849656 RVWQOFMMVSWFMA-UHFFFAOYSA-N 366.461 4.027 0 40 FIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3)N21 222647991 HNAMTAANIYPADF-ZYSHUDEJSA-N 353.491 4.378 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)c(C)c1 225465715 UFYGSPKISAPTNT-CQSZACIVSA-N 372.490 4.228 0 40 FIAB COC(C)(C)CCOc1ccc(NC(=O)C2(OC)CCCC2)cc1Cl 225627508 HYXAWRCPDOLYIT-UHFFFAOYSA-N 369.889 4.432 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(SCC(C)C)s1 225642080 SVBNGKOLNAWNLS-ZDUSSCGKSA-N 365.524 4.391 0 40 FIAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(Cl)cc2)n1 225828264 SAOFJFDGMJZEJB-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB CN(C(=O)C(F)(F)F)c1ccc(F)c(-c2cc3ccccc3oc2=O)c1 226358383 XRUCSIUZRCDEPJ-UHFFFAOYSA-N 365.282 4.124 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCCC[C@H]1CC 260458090 ZOILVCBJEPMWFW-CTNGQTDRSA-N 360.542 4.232 0 40 FIAB C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)[N+](=O)[O-] 408528123 AVOMMLGNCQQKHI-PKNBQFBNSA-N 362.179 4.306 0 40 FIAB COc1ccc(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)cc1F 544930183 ZZZMHWNDRLGODF-UHFFFAOYSA-N 366.314 4.418 0 40 FIAB CN(C)[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1csc2ccccc12 575619460 FOSBRTWNOYYDPY-LJQANCHMSA-N 363.486 4.415 0 40 FIAB C[C@H](NCc1cccc(-c2ccccn2)c1)c1ccc2c(c1)CCC(=O)N2 582007743 IPUULJJKZVLYHJ-INIZCTEOSA-N 357.457 4.484 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2O)o1 649733 AWMXYFDHVVLMRP-UHFFFAOYSA-N 369.446 4.044 0 40 FIAB FC(F)(F)c1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1 721397 RKHRSIQMYXEKBB-UHFFFAOYSA-N 357.295 4.003 0 40 FIAB Cn1c(-c2ccc(Br)cc2)cnc1NC(=O)c1ccccc1 819532 KZVCJKFWPHSEKA-UHFFFAOYSA-N 356.223 4.102 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 1242448 NPIJCYGUTJGSAN-UHFFFAOYSA-N 372.515 4.329 0 40 FIAB Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 1308015 OYTHWONUUVPCAP-UHFFFAOYSA-N 372.515 4.139 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 1343312 UCFDFLOSEBTPPO-KRWDZBQOSA-N 355.413 4.078 0 40 FIAB Fc1ccc2c(c1)ncn2C1CCN(C(=S)Nc2ccccc2)CC1 1371031 FYJLRJZPCFYQGE-UHFFFAOYSA-N 354.454 4.209 0 40 FIAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)cc2c1 1515975 ZRNIPHODFAUGQI-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB Cc1nc2oc3c(N4CCCC[C@H]4C)ncnc3c2c2c1COC(C)(C)C2 2198373 PSXVCXQDMCHRTP-GFCCVEGCSA-N 366.465 4.310 0 40 FIAB Cc1c(O)ccc2c(CN3CCC(Cc4ccccc4)CC3)cc(=O)oc12 2211816 UJRNGDGSRAMBPW-UHFFFAOYSA-N 363.457 4.262 0 40 FIAB biogenic CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1 2298491 FJGJMPKHRVYXRC-UHFFFAOYSA-N 351.903 4.298 0 40 FIAB O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)N1CCCCC1 2694552 PFOCQKNJYGNPHH-UHFFFAOYSA-N 367.518 4.127 0 40 FIAB O=C(NCCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 3044583 BEXFPAQESRVGCZ-UHFFFAOYSA-N 353.425 4.269 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nc(C)cs2)c1 3357307 BRRYVONCFSOCHF-UHFFFAOYSA-N 351.431 4.265 0 40 FIAB FC(F)(F)c1cccc(N2CCN(c3ncnc4sccc34)CC2)c1 3379232 NVSSEYSIOFQICA-UHFFFAOYSA-N 364.396 4.037 0 40 FIAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1Cl 3406667 GCCNALPMCQZASP-UHFFFAOYSA-N 357.862 4.408 0 40 FIAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2F)s1 3465609 GAMJHNGWSYNSOQ-UHFFFAOYSA-N 374.466 4.460 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)o1 3475081 OLVHLLGSOARWCJ-CYBMUJFWSA-N 373.503 4.028 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3OC)n2)c1 3559299 NWNBQZQKBCECLE-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB CCOc1ccccc1C(=O)N1CCN=C1SCc1cc(C)ccc1C 4120302 STRWNUCCPBOHEW-UHFFFAOYSA-N 368.502 4.447 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1 4179798 CZLISFNNPUJHCS-WTTBNOFXSA-N 370.474 4.058 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CCSc3ccc(C)cc3)o2)cc1 4496545 MLYMODAFCWCXKN-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 4554959 NQAYNPPBQDGBJQ-SFHVURJKSA-N 363.866 4.009 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)CC1 4738621 PAKSQERJXNWDAV-UHFFFAOYSA-N 351.494 4.204 0 40 FIAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)NC1CCCCC1 4934101 JPNPIOBCBXIMAQ-UHFFFAOYSA-N 365.549 4.204 0 40 FIAB CCOc1ccc(NC(=O)CC[C@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 5002238 LNTKWHMUQFZRFY-HRAATJIYSA-N 353.418 4.108 0 40 FIAB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269360 DAXLBTURMDJXNE-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(-c2ccc(C)cc2)no1 5451808 RFFZHULCVDSOTP-AWEZNQCLSA-N 352.390 4.065 0 40 FIAB Cc1nc2nc(SCc3ccccc3F)[nH]c2cc1Br 5455106 ATVUELOLZNIQNU-UHFFFAOYSA-N 352.232 4.460 0 40 FIAB CCc1ccc2c(CSc3nnc(SC)s3)cc(=O)oc2c1 5872270 SBSMXECNTZQREY-UHFFFAOYSA-N 350.490 4.221 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccc(Br)cc2)cc1Cl 6259279 QMZMHHSZRQGGEY-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB OCCN(Cc1ccccc1)c1ncnc2scc(-c3ccccc3)c12 6598818 QDSUSQVLOKGKHB-UHFFFAOYSA-N 361.470 4.357 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(CC)cc1 6752931 BOAOJUPVLSPZOK-OAQYLSRUSA-N 361.445 4.300 0 40 FIAB COc1ccc(Cl)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342924 RDRBFICWVMAAJS-DHDCSXOGSA-N 360.822 4.443 0 40 FIAB COc1cc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 7724876 DEVZLMWNUQCIAQ-UHFFFAOYSA-N 371.216 4.376 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 7909403 FCWSWOZEPSYFAV-ZDUSSCGKSA-N 355.825 4.200 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cnc2ccccc2n1 7988601 ALSCHEPXPYZTPO-UHFFFAOYSA-N 372.453 4.494 0 40 FIAB CC(=O)N[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2c(C)cccc21 8047565 ANKYPKJYZCZTEN-INIZCTEOSA-N 363.244 4.026 0 40 FIAB COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCC(C)C 8179562 UWYSYQJBRUDRQV-ZROIWOOFSA-N 357.431 4.136 0 40 FIAB C[C@@H](Sc1ncc2ccccn12)C(=O)Nc1ncc(Cl)cc1Cl 8709988 AAIOENGKNVKWEM-SECBINFHSA-N 367.261 4.155 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 9232180 KVHYQGWMDQCJDC-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CC(=O)c1cc(CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)oc1C 9335702 YDOGTZUWMURODT-UHFFFAOYSA-N 369.417 4.403 0 40 FIAB Cc1ccc(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)c(C)c1 9573806 MRWYNSYHGWCWSC-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB CC(C)[C@@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1cccs1 9862233 KUZQKTNPGJSOHX-GOSISDBHSA-N 360.479 4.058 0 40 FIAB O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1C1CCCCC1 9926716 SDVUGWUAEVNTAI-UHFFFAOYSA-N 368.864 4.370 0 40 FIAB Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2c1 10253512 QRRHMIYWOASFCO-UHFFFAOYSA-N 374.487 4.039 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC)n2)cc1 11430427 CBXPMSUFABTUQF-UHFFFAOYSA-N 369.446 4.038 0 40 FIAB O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCc2ccccc21 11902543 OLPHLMHCCJLIHS-UHFFFAOYSA-N 363.417 4.405 0 40 FIAB Cc1nn2c(NCc3cccnc3)c3c(nc2c1-c1cccs1)CCC3 12113393 FYLIPIZPECCFEF-UHFFFAOYSA-N 361.474 4.262 0 40 FIAB CCOc1cc(-c2nc3cnccn3c2NCc2cccs2)ccc1O 12113828 FKAWRJYIKGMVRE-UHFFFAOYSA-N 366.446 4.174 0 40 FIAB O=C(CC1(C(=O)O)CCCCCC1)Nc1cccc(Br)c1 13249802 XLKMURPFNWXRNM-UHFFFAOYSA-N 354.244 4.203 0 40 FIAB O=C(COc1ccccc1/C=C/c1nc2ccccc2s1)N1CCCC1 14022693 CWZAORPQOZFXDG-VAWYXSNFSA-N 364.470 4.468 0 40 FIAB COc1cc2c(cc1NC(=O)C[C@@](C)(O)C(F)(F)F)oc1ccccc12 14113886 HVLAJXBRPNUCMI-QGZVFWFLSA-N 367.323 4.237 0 40 FIAB O=C(CSc1ccc2ccccc2c1)c1c[nH]c(C(=O)N2CCCC2)c1 14170272 QZGKTJBJLMXBGI-UHFFFAOYSA-N 364.470 4.379 0 40 FIAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14184639 PWTVVIRYCWHNDG-IBGZPJMESA-N 362.429 4.307 0 40 FIAB COc1c(CC=C(C)C)c(O)cc2c1C[C@@H](c1ccc(O)cc1O)CO2 14762835 RCZMWVKBVFOCEE-CYBMUJFWSA-N 356.418 4.039 0 40 FIAB biogenic,in-vitro Cc1nn([C@H](C)CC(=O)Nc2ccc(Br)cc2)c(C)c1C 17173188 ODHYIKUVGYXHLR-SNVBAGLBSA-N 350.260 4.161 0 40 FIAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)CC1CCN(C(=O)C(C)C)CC1 19748280 GZEXCIINUPTWGK-LJQANCHMSA-N 362.489 4.020 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Cl 20142279 UYBGGPQDOSNQTD-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB COCc1c(C(=O)OCc2ccc(-n3cccn3)cc2)oc2ccccc12 21729802 QDAYGLHYLBXTKY-UHFFFAOYSA-N 362.385 4.122 0 40 FIAB CCN(CC)CCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 22074936 OLJBUDZOGJTQJB-UHFFFAOYSA-N 356.510 4.014 0 40 FIAB CN(C[C@@H](O)COc1ccccc1F)C(c1ccccc1)c1ccccc1 23387580 UCTNILSPEZTADP-HXUWFJFHSA-N 365.448 4.287 0 40 FIAB Cc1ccn2cc(C(=O)N(Cc3ccco3)Cc3cccs3)nc2c1 24461061 ADJJVELQRVVHQZ-UHFFFAOYSA-N 351.431 4.140 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc(F)c2)cs1 25322500 OCHXVHFJUHEXRC-LLVKDONJSA-N 360.385 4.494 0 40 FIAB Cn1ccnc1[C@@H](NCc1ccc(Br)cc1)c1ccccc1 30643020 ZHRXUSNGVIRRBP-KRWDZBQOSA-N 356.267 4.062 0 40 FIAB CSc1ncc(Cl)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 30682558 IVDVQJCYXHQFKW-DJCSNXPJSA-N 365.930 4.187 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)CCOc1ccccc1F 32787970 OWHAXKMTHXZRQX-UHFFFAOYSA-N 370.449 4.409 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2Cl)cc1 35289371 HWMNVQZFSZETEL-QGZVFWFLSA-N 357.841 4.283 0 40 FIAB CCc1nn2c(ncc3c(=O)n(C4CCCC4)ccc32)c1-c1ccccc1 40387855 SVVANLBHZBKBPP-UHFFFAOYSA-N 358.445 4.389 0 40 FIAB O=C(NCCNc1ccccn1)Nc1cccc(C2SCCCS2)c1 43834177 MPWRKRALEZMBKV-UHFFFAOYSA-N 374.535 4.184 0 40 FIAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078752 XGKAOTBCKGYENX-AWEZNQCLSA-N 370.880 4.461 0 40 FIAB O=C(NCc1ccccn1)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 47055676 YKUDIGCRTPZUDQ-UHFFFAOYSA-N 370.412 4.092 0 40 FIAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccc(O)cc1 52963793 KORAGJDZPCGVAZ-NSHDSACASA-N 354.233 4.125 0 40 FIAB CC(C)C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 61914925 LDKMYCOBMWAGKM-HXUWFJFHSA-N 350.462 4.017 0 40 FIAB CCc1cccc(CC)c1NC(=S)N1CCC[C@H](c2nc(C)no2)C1 66007551 GYIHWTFBCMIIKE-INIZCTEOSA-N 358.511 4.079 0 40 FIAB Cc1n[nH]c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 68994728 VIWYXOSGJDJXNO-UHFFFAOYSA-N 351.250 4.316 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccccc1Cl)c1cn(C)c2ccccc12 75149220 NHJYSWILEADZJV-LJQANCHMSA-N 370.884 4.256 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(Nc2cnn(C)c2)c1 84736556 FVAQDFMKEJFLPQ-SFHVURJKSA-N 366.490 4.375 0 40 FIAB CC(=O)c1ccc(OCc2ccc(I)cc2)cc1 88174663 KWKIDMMSLJLDGK-UHFFFAOYSA-N 352.171 4.073 0 40 FIAB Cc1ccc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)s1 89656247 QGWUFDSJHYQAQZ-YIONKMFJSA-N 364.511 4.059 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccc2ccn(C)c2c1 96221557 RJCVVWJQWRZFOG-FQEVSTJZSA-N 373.456 4.476 0 40 FIAB biogenic CC(C)(C)c1noc(CN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 114200893 AOHMZWRIYNBOSN-MRXNPFEDSA-N 365.481 4.137 0 40 FIAB CSc1ccc(/C=C/C(=O)NC[C@@H](O)c2cccc3ccccc23)cc1 206701907 HKZIBIJNVAHNND-QGFLDLQWSA-N 363.482 4.425 0 40 FIAB CCOc1ccccc1NC(=O)c1cnc(-c2ccc(OC)cc2)nc1C 223142797 QJRPZHCTUZXZMU-UHFFFAOYSA-N 363.417 4.112 0 40 FIAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 223374879 BEECYKSNYXOVGQ-CYBMUJFWSA-N 373.324 4.427 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1ccc(F)cc1 225779951 JJIODNVPRRXKEK-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB CC[C@]1(C)C[C@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 256050948 HDQQRGWHJUCZND-YADHBBJMSA-N 365.429 4.169 0 40 FIAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(Cl)c4)OCC[C@@]31C2 257223362 DWZXWWNOXLUIHD-CIHFAKMFSA-N 365.876 4.498 0 40 FIAB COc1cccc([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1 257282952 OWAQLBHYKSGUKC-ZHXYCXGVSA-N 359.510 4.492 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1SC 408700355 DPGFVDYXYJLOFB-UHFFFAOYSA-N 351.493 4.341 0 40 FIAB CCOc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)cc1 408802198 XPBZDWWTNXTDBS-UHFFFAOYSA-N 369.466 4.165 0 40 FIAB C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 527876968 WYBNSBNSTFMIEJ-BLVKFPJESA-N 356.832 4.398 0 40 FIAB Cc1cc(OC[C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)ccn1 1775971486 PWMQEBOVXWPNLS-HNNXBMFYSA-N 359.857 4.366 0 40 FIAB O=C(NC1CCCCC1)c1cc(Br)ccc1Br 682483 VCSLRHCEHMNFDB-UHFFFAOYSA-N 361.077 4.274 0 40 FIAB COC(=O)c1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 704946 MVOLQCWWQDJIEV-QGOAFFKASA-N 363.413 4.115 0 40 FIAB COc1cc([C@H]2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc(OC)c1O 818085 OIRKLMWTSZJPNX-NRFANRHFSA-N 365.433 4.171 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1c(F)c(F)cc(F)c1F 1002034 SWWZVMPIMFRZIS-SECBINFHSA-N 357.303 4.048 0 40 FIAB CC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1359472 WOTNPYDPDRQOJM-UHFFFAOYSA-N 368.864 4.347 0 40 FIAB Clc1ccccc1-c1nc2nc3ccccc3nc2n1C[C@@H]1CCCO1 2421179 PZOYKZYSFQJINO-ZDUSSCGKSA-N 364.836 4.479 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3nccs3)o2)cc1 2720399 FNAJQZXUOIQQGX-UHFFFAOYSA-N 374.491 4.221 0 40 FIAB Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)Cc1ccco1 3384426 UTGOQXNLNILSOL-HXUWFJFHSA-N 351.446 4.030 0 40 FIAB C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl 3393010 NNCLEBRNYJSEIK-VIFPVBQESA-N 356.180 4.317 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1cccs1 3466207 LSSPZQXBGNOLPL-GFCCVEGCSA-N 358.492 4.146 0 40 FIAB CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2Cl)nc1C 3495693 ONOQCHBCTIHHAW-UHFFFAOYSA-N 373.261 4.116 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1csc2ccccc12)C(=O)O 4241226 VHTJAARWOIEFMD-LJQANCHMSA-N 361.463 4.298 0 40 FIAB CCOc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1 4434093 OFFQGMXSEDSHOD-UHFFFAOYSA-N 351.406 4.097 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 4805239 KAZWZNZQVJELNM-ZJUUUORDSA-N 358.294 4.085 0 40 FIAB CCCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(CC)cc12 4894929 HZEVUXXQBFODDV-UHFFFAOYSA-N 365.502 4.478 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5292225 URXWVWVPMJSAJD-GOMYTPFNSA-N 370.489 4.185 0 40 FIAB CC[C@@H](C)NC(=O)CC12CC3CC(C1)CC(CC(=O)N[C@H](C)CC)(C3)C2 5575609 NPNUTFMKWBAEBC-ZPAHZBAGSA-N 362.558 4.183 0 40 FIAB CC(C)On1c(SCc2ccccc2Cl)nc2ccccc2c1=O 5576104 AIKADOJFGLNZHJ-UHFFFAOYSA-N 360.866 4.179 0 40 FIAB CC(C)Cn1c(O)c(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc21 5817385 KYOQCMKCFZJIMA-UHFFFAOYSA-N 370.836 4.269 0 40 FIAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)[nH]n2)c1 5926742 FUCKRJHKJLFGMC-UHFFFAOYSA-N 373.359 4.253 0 40 FIAB Clc1cc(CSc2nnc3n2CCCCC3)cc2c1OCCCO2 7081605 VCCRKXDNCHOWJZ-UHFFFAOYSA-N 365.886 4.112 0 40 FIAB C#CCOc1ccccc1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603088 DGBDAGPEVYTTKE-ATVHPVEESA-N 351.383 4.058 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(C)cc2C)CC1=O 7928175 JGMMHUGVWAKRMV-LJQANCHMSA-N 364.489 4.420 0 40 FIAB O=C(Nc1cccnc1)c1cn(Cc2ccccc2)nc1-c1cccs1 8193653 JVYOZHCJXGNYLO-UHFFFAOYSA-N 360.442 4.307 0 40 FIAB COc1ccc(-c2csc(C)n2)cc1CC(=O)N[C@H](C)c1ccco1 8326312 UQNNBBXIMBPJJQ-GFCCVEGCSA-N 356.447 4.140 0 40 FIAB Cc1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)o1 8586598 ZPHOUWDQZSGJQX-UHFFFAOYSA-N 356.809 4.249 0 40 FIAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc(Cl)cn2)cc1 8723745 SUESVRZPNUDDJO-SFHVURJKSA-N 373.884 4.299 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 9107051 LKRCFAPULROJTP-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Sc3ccccc3)s2)cc1 9347008 NXIMMNLVZPZUIE-GFCCVEGCSA-N 371.487 4.333 0 40 FIAB Cc1c(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)oc2ccccc12 9466964 RGAMNCOEMUPGTF-GOSISDBHSA-N 363.392 4.133 0 40 FIAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1 9547215 AQSGFOAGTOVAJG-UHFFFAOYSA-N 367.452 4.434 0 40 FIAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1F 10023631 IUSHGQNIBBHNHW-UHFFFAOYSA-N 367.449 4.318 0 40 FIAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(F)cc1Cl 10460571 BALXOMBLBLKYRR-UHFFFAOYSA-N 374.843 4.035 0 40 FIAB Cc1cc(C)c2[nH]c(C(=O)NCc3noc(-c4ccccc4)n3)c(C)c2c1 12202902 DYXPKPJQGZJLGU-UHFFFAOYSA-N 360.417 4.073 0 40 FIAB C[C@H](CNC(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCCCC1 12223522 RVPGJUIZJZAJNS-QGZVFWFLSA-N 353.466 4.475 0 40 FIAB COc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 12225253 VMDOJEIVKXHHIN-UHFFFAOYSA-N 368.824 4.443 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cc2ccccc2o1 12980990 DOXQXKAIIAOSFF-CQSZACIVSA-N 361.401 4.118 0 40 FIAB FC(F)(F)Oc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 13688775 VWJMZONQIIYUBM-UHFFFAOYSA-N 350.252 4.031 0 40 FIAB C[C@@H](Cc1ccco1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 13693160 NXAJKJPQSSXYJM-ZDUSSCGKSA-N 351.431 4.041 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 14404419 AFTUIZAYHBHWEK-UHFFFAOYSA-N 368.824 4.185 0 40 FIAB COc1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1 14785388 MCALIYULMLNWGM-UHFFFAOYSA-N 370.630 4.129 0 40 FIAB COc1ccc(/C=C/C(=O)NCc2cccc(C(F)(F)F)c2)cc1OC 15977016 SJGHXTQLSDSDQJ-VQHVLOKHSA-N 365.351 4.052 0 40 FIAB Cc1ccc2cc(C(=O)N3CCC(c4cc5ncccc5[nH]4)CC3)[nH]c2c1 19221772 OHOOXBLTQAQARU-UHFFFAOYSA-N 358.445 4.372 0 40 FIAB COc1ccc2c(c1)c(CN(C)Cc1[nH]nc3c1CCCC3)cn2C(C)C 19454781 GSFLXZSVJMPJBY-UHFFFAOYSA-N 366.509 4.465 0 40 FIAB COc1ccc(-c2cc(-c3ccccc3)nc3nc(C(F)(F)F)nn23)cc1 20736265 BYYZWHIXWBZAQG-UHFFFAOYSA-N 370.334 4.486 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 22525984 HKKQAWCSXJUYKW-UHFFFAOYSA-N 350.462 4.192 0 40 FIAB O=C(Nc1ccccc1SCC(F)(F)F)[C@H]1Cc2ccccc2O1 22972663 ZFDJZNOJPLEWLV-CQSZACIVSA-N 353.365 4.283 0 40 FIAB O=C(NCc1csc(-c2ccccc2)n1)c1cc(-c2ccccc2)on1 22976904 LQRVYHPJGARSBK-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1cccs1 23435203 URLPGZYEJZZIOJ-LBPRGKRZSA-N 359.882 4.446 0 40 FIAB CCc1ccc(C(=O)N(CC)CC(=O)Nc2c(Cl)cccc2Cl)o1 25093081 AZWQSGGNMKCIBH-UHFFFAOYSA-N 369.248 4.250 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc2ccc(F)cc2s1 26222330 JPMOERXLKPSUEM-NSHDSACASA-N 373.405 4.233 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28236179 HYGVYVMFGGBPEL-UHFFFAOYSA-N 365.385 4.456 0 40 FIAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cccc(F)c1F 28305093 ZNLDDNRBLZXPBB-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB CCOC(=O)c1ccsc1NC(=O)CSc1ccccc1Cl 29275696 QIEFRIBGPBYDTP-UHFFFAOYSA-N 355.868 4.309 0 40 FIAB O=C(Nc1nc2ccccc2s1)N1CCC([C@@H](O)c2ccccc2)CC1 29328502 KOIIDUMCLOJLDJ-SFHVURJKSA-N 367.474 4.274 0 40 FIAB COC(=O)c1ccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)cc1 31547452 RSLJRMYQRMGVNE-UHFFFAOYSA-N 356.403 4.059 0 40 FIAB CCc1ccc([C@H](CNC(=O)c2oc3c(F)cccc3c2C)N(C)C)cc1 32733746 ZLXMQLZRLTUAKM-IBGZPJMESA-N 368.452 4.475 0 40 FIAB COc1cc(-c2nc3ccccn3c2Nc2ccccc2)cc(OC)c1O 35606593 UBQAQGPCWZJPPR-UHFFFAOYSA-N 361.401 4.468 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38853458 PDBUOVZHEGJNBN-CQSZACIVSA-N 364.823 4.469 0 40 FIAB O=C(CCSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1O 40288102 AZJQAKNTQAKUOH-UHFFFAOYSA-N 371.487 4.007 0 40 FIAB CC(=O)c1cn(CCC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc12 40310119 AUMXCTYRLVKANN-KRWDZBQOSA-N 362.473 4.372 0 40 FIAB biogenic OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@H](c2cccc(O)c2)C1 49546847 ZRHNOQDAUMSXQL-HNNXBMFYSA-N 353.809 4.414 0 40 FIAB C[C@H](NC(=O)CCc1ccco1)c1cccc(OCc2ccccn2)c1 55645251 YMIDUPPCBKAYOF-INIZCTEOSA-N 350.418 4.064 0 40 FIAB CCN(CC)c1ccc(-c2nnc(SCc3ccccn3)n2C)cc1 57987145 FZCXFUZELSOIMW-UHFFFAOYSA-N 353.495 4.016 0 40 FIAB O=C(Cc1ccccc1O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 60349413 LHZBRDIYFKXHIO-UHFFFAOYSA-N 364.367 4.192 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 67306035 CTFGPHTXROZYMP-RSKUSDAESA-N 367.424 4.327 0 40 FIAB O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CCC(Nc2ccc(F)cc2)CC1 67592920 GZZGPPFPFZTVHT-UXHICEINSA-N 356.416 4.171 0 40 FIAB COc1cccc2cc(C(=O)NC[C@H](O)c3cccc4ccccc34)oc12 70636031 XDTRPVIWWKMHJI-SFHVURJKSA-N 361.397 4.058 0 40 FIAB O=C1CCc2ccc(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)cc2N1 72295832 ADHBFNIEVFKBPC-QFIPXVFZSA-N 372.424 4.330 0 40 FIAB Cc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 72390696 SDMRHNLLXDZHTD-HXUWFJFHSA-N 358.445 4.214 0 40 FIAB O=Cc1ccc2nc(-c3cccc(I)c3)sc2c1 73740326 XWQXKBVVDCXNHL-UHFFFAOYSA-N 365.195 4.380 0 40 FIAB CCc1nc(C(=O)Nc2ccc3[nH]ccc3c2)nn1-c1ccccc1Cl 78677601 ULJXAHASWSRQQY-UHFFFAOYSA-N 365.824 4.217 0 40 FIAB O=C(NC[C@H]1CCCN1CC1CCCCC1)Nc1ccc(F)cc1F 89769634 MUSPANWCSLZFRZ-MRXNPFEDSA-N 351.441 4.131 0 40 FIAB CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 89942075 FNNVYISECAMQED-HXPMCKFVSA-N 370.440 4.083 0 40 FIAB CO[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccc(C)s1 96104727 JMHHFEVIBDSTAJ-HNNXBMFYSA-N 358.488 4.298 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccsc2)S1 96116799 HZCRSKNVMRHBDP-OCCSQVGLSA-N 363.508 4.254 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1C 103716782 WEQJZQYQGCMASN-IBGZPJMESA-N 358.441 4.448 0 40 FIAB COc1ccc(Cl)cc1C(=O)NC[C@H](OC)c1ccccc1Cl 206850863 FGRFUJAQYXXKOK-INIZCTEOSA-N 354.233 4.120 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SC(C)C)s1 223293726 QFGXFAXKEBLKSH-CYBMUJFWSA-N 365.524 4.452 0 40 FIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 224197913 HWVHDYQHJDMRJU-PMACEKPBSA-N 362.502 4.214 0 40 FIAB C[C@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 224214001 CGHFGAQUOZZZRQ-GFCCVEGCSA-N 358.290 4.217 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253499547 YVCQLADPAZVQRJ-KHOASBCUSA-N 374.521 4.155 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(F)c3F)s2)cs1 523954621 RYCITHHFFQOIBG-UHFFFAOYSA-N 364.442 4.431 0 40 FIAB CCn1c(-c2cccnc2)nnc1N(C)Cc1cc(Cl)cc(Cl)c1 555026032 JKAJNXDOUYSILL-UHFFFAOYSA-N 362.264 4.303 0 40 FIAB CC(C)c1nnc2ccc(NC(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)cn12 558800508 CAUDOLJTJBGUIP-CZIWCDLHSA-N 367.428 4.060 0 40 FIAB C[C@@H](Nc1nnc(-c2ccon2)s1)c1ccc(OC(F)(F)F)cc1 672161428 KVGIQKZKLNLYGL-MRVPVSSYSA-N 356.329 4.265 0 40 FIAB c1ccc(CSCc2nnc3sc(Cc4ccccc4)nn23)cc1 1501040015 WMGWZJIUSOCGIN-UHFFFAOYSA-N 352.488 4.210 0 40 FIAB FC(F)(F)c1cccc(-c2nnc3sc(Cc4ccccc4)nn23)c1 632682 LDZPEVBRYNBDFJ-UHFFFAOYSA-N 360.364 4.462 0 40 FIAB Cc1ccc(NC(=O)c2ccc(Br)cc2Br)nc1 682592 JDXGTCURGVKFJQ-UHFFFAOYSA-N 370.044 4.167 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)o1 853610 CFZKDRAQCLEFFC-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB CC(=O)N(Cc1cccnc1)Cc1cc2cc(C)c(C)cc2nc1Cl 1367801 MXPKVGIWZIFPNZ-UHFFFAOYSA-N 353.853 4.449 0 40 FIAB OC[C@H](O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2 1584264 AIVBOCXGVWYMSX-SFHVURJKSA-N 353.849 4.447 0 40 FIAB Cn1c(NC(=O)c2ccccc2)c(-c2ccccc2)c(=O)c2ccccc21 2340107 WOWDOPHCMYTNEH-UHFFFAOYSA-N 354.409 4.458 0 40 FIAB O=C(Nc1nc2ccc3ccccc3c2s1)c1ccc2c(c1)OCCO2 2483655 XISSZQAFKRGNDN-UHFFFAOYSA-N 362.410 4.473 0 40 FIAB CCc1c(C)sc2ncn3nc(COc4ccccc4Cl)nc3c12 2790869 URSIBOBUCQAPAR-UHFFFAOYSA-N 358.854 4.442 0 40 FIAB Fc1ccc([C@@H]2C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1 2918052 VSBYDXANMWTLTP-LSDHHAIUSA-N 360.339 4.165 0 40 FIAB CCc1cc2c(SCC(=O)c3ccc(NC(C)=O)cc3)ncnc2s1 3350641 CXFNFCUSBGJCSV-UHFFFAOYSA-N 371.487 4.187 0 40 FIAB COc1cccc(/C=C(/C(=O)O[C@@H]2CCCCC2=O)c2ccccc2)c1 3448793 HKQNUHJNAJALAZ-JENJNIGESA-N 350.414 4.291 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccccc1 3501479 LZLBPCVFENKBCK-OAHLLOKOSA-N 366.490 4.393 0 40 FIAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C)c(C)c1 4033131 KAYDMZBCZDKGIY-UHFFFAOYSA-N 372.428 4.274 0 40 FIAB CN(C(=O)c1cccs1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078434 IFNMIAOEPYCWPU-UHFFFAOYSA-N 359.520 4.344 0 40 FIAB Cc1ccc2nc(N(CCN(C)C)C(=O)/C=C/c3cccs3)sc2c1 4359108 BIOPPQFYVIWKKL-VQHVLOKHSA-N 371.531 4.274 0 40 FIAB Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccn2c1C(=O)c1ccccc1 4585247 KXYJOWHOTOHXPD-UHFFFAOYSA-N 373.387 4.144 0 40 FIAB Cc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2C)cc1C 4747013 OTCZWFNWIHWHEE-UHFFFAOYSA-N 362.882 4.157 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 5184556 HVGDQSGGPICWTC-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2C)c(C)c1 5260099 MUMKSSLXOGCJQH-UHFFFAOYSA-N 368.296 4.484 0 40 FIAB Cn1c(-c2ccccc2)c(C(=O)CSc2cccc[n+]2[O-])c2ccccc21 5406404 CZOWUJBOBDPITC-UHFFFAOYSA-N 374.465 4.454 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1nc2c(s1)CCCC2 5938049 ZPNQUCAMZYZKAP-UHFFFAOYSA-N 352.463 4.077 0 40 FIAB C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC1CC1 6364961 IUOKBIGEKOLMNC-JTQLQIEISA-N 373.478 4.257 0 40 FIAB COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCS4)cc1 6506230 NMJVXWLXGAVFGO-UHFFFAOYSA-N 362.501 4.157 0 40 FIAB Cc1cccc(NC(=O)/C=C/C2=C(Cl)c3ccccc3S2(=O)=O)c1C 6551350 PMTGCHQNBDHWEH-ZHACJKMWSA-N 373.861 4.193 0 40 FIAB Cn1c(SCCSc2ccc(Cl)cc2)nnc1-c1cccnc1 6648719 SLUMUIDETKCEQA-UHFFFAOYSA-N 362.911 4.415 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccccc2)cc1 6845930 RTQPKUXSROKHRJ-GIWBLDEGSA-N 365.473 4.204 0 40 FIAB biogenic COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1O 7884108 IEFWARHFORRTDB-OAQYLSRUSA-N 360.413 4.168 0 40 FIAB CC(=O)c1sc(NC(=O)COc2cccc(C)c2)nc1-c1ccccc1 8129823 CJXXXSWCSMPSGB-UHFFFAOYSA-N 366.442 4.339 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 9316248 VEAWOTPXFPCXSU-LBPRGKRZSA-N 358.492 4.067 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)cc2c1C 9552038 YQJHMKJUYCOESB-QITLCBANSA-N 356.466 4.025 0 40 FIAB NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(Cl)c(Cl)c1 9642791 KSJOHYDMPWICHY-UHFFFAOYSA-N 363.200 4.020 0 40 FIAB COc1ccc(NC(=O)CNc2ccccc2Br)cc1Cl 11621119 SKTXLPODJDSZGW-UHFFFAOYSA-N 369.646 4.162 0 40 FIAB CCOc1ccc(CC(=O)N(C)c2nc3c(s2)CCc2occc2-3)cc1 12181480 RCLPNQQPYLQLJP-UHFFFAOYSA-N 368.458 4.106 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)c2cccnc2C)cc1 12366616 NANNOSCGQZJIFP-WOZUAGRISA-N 350.462 4.101 0 40 FIAB O=C(NCCCn1cnc2ccccc21)c1cc(Cl)nc2ccccc12 12490610 MKBJDXGODQPFKY-UHFFFAOYSA-N 364.836 4.058 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 12946927 QLYWFBPALBPHNY-JOCHJYFZSA-N 368.452 4.009 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3cc(F)ccc3F)s2)cs1 12971692 WOYDBQJTQQKLJB-UHFFFAOYSA-N 350.415 4.388 0 40 FIAB O=C(O)C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 13178285 NQAYURYIHAMGOR-MRXNPFEDSA-N 371.339 4.171 0 40 FIAB COc1ccc(-c2nnc3ccc(Oc4ccccc4Cl)nn23)cc1 13684359 IDVPIBFVTYQDNR-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1ccccc1Cl 13709834 FAMKQHNPLRRZMQ-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CCCCC1CCC(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 14244892 QSSWKPUOGRMYQC-HJOIGYKYSA-N 365.539 4.264 0 40 FIAB O=C(Nc1ccccc1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 15773981 ADHXPQOLWGNWJP-HKWRFOASSA-N 360.388 4.235 0 40 FIAB Cc1cc(C)n(CCCC(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19574216 KCMUUPMDVGVAPB-SQOUVECCSA-N 365.521 4.369 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20483001 RRQNBFJWYXFOQQ-SFHVURJKSA-N 372.852 4.263 0 40 FIAB Cc1ccc(NC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)c(Cl)c1 23125465 QQAKTRLXWBFCKA-UHFFFAOYSA-N 362.220 4.416 0 40 FIAB Cc1c(Cl)ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1Cl 28051456 ZMSXBPGNPVGSNU-UHFFFAOYSA-N 351.642 4.151 0 40 FIAB CCCC[C@H](CC)CNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 29326451 WUNXNBSHBAXVQP-SFHVURJKSA-N 373.541 4.328 0 40 FIAB Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)c(C)c1Cl 32648050 SPXVMTBEHVMTBN-LBPRGKRZSA-N 357.841 4.286 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1nc(-c2ccco2)no1 32753974 BUWIYWRCPBJURU-CYBMUJFWSA-N 365.389 4.228 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1cccc(NC(=O)c2cccnc2)c1 32827156 TZELIOKWOOBVOU-QGZVFWFLSA-N 373.456 4.085 0 40 FIAB CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C)c1ccc(C(C)C)cc1 36616477 IVGMEENDVZVMIB-LJQANCHMSA-N 350.466 4.281 0 40 FIAB CCc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 36635582 XJBPVUDLLGNCIH-HNNXBMFYSA-N 363.244 4.300 0 40 FIAB COc1ccc2cc(C(=O)NCCc3cccc4cccnc34)c(C)nc2c1 39548134 WIDNBPSRXRKCTK-UHFFFAOYSA-N 371.440 4.073 0 40 FIAB CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccnc1 40068926 VUDGGJLFFASUOV-QFBILLFUSA-N 368.477 4.368 0 40 FIAB CCCCN(CCCC)C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 40104623 SZRDCGZDVFRWSP-UHFFFAOYSA-N 356.474 4.109 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCCN1CCC[C@H](C)C1 40112677 WUIJLCLFZKWXPG-HNNXBMFYSA-N 373.928 4.439 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cnc(-c3ccccc3)s2)nc1C 40129548 IXNLFNWNHMRMBQ-UHFFFAOYSA-N 373.459 4.004 0 40 FIAB COc1ccc(CNC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 43625509 KPQVSONMZKAAQA-KRWDZBQOSA-N 367.474 4.352 0 40 FIAB CC(C)c1cc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)n(C)n1 49549696 KUCKWCGTUCJDHY-UHFFFAOYSA-N 358.858 4.030 0 40 FIAB CC[C@@H](CNC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 53980328 LCGCPUJQLZWPGD-AWEZNQCLSA-N 358.438 4.028 0 40 FIAB C[C@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)NCc1cccs1 57576980 DPEMLBCGJXILSX-MNOVXSKESA-N 357.306 4.410 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)NC[C@@H](C2CCCCC2)N(C)C)c1 58145978 CGCDRFHPITYJQX-IBGZPJMESA-N 374.529 4.057 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)c2cccs2)cc1)c1nc(C2CC2)no1 58190693 HWAYHNCAEFZDTQ-LLVKDONJSA-N 354.435 4.434 0 40 FIAB Brc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1 59168944 YAXYFSOCUHWDOT-UHFFFAOYSA-N 371.263 4.206 0 40 FIAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 72277169 DYWQDMZRDQLWLL-FGZHOGPDSA-N 374.488 4.125 0 40 FIAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1ccc2c(c1)CCCC2 72301040 JYOKBQLNXCMACC-UHFFFAOYSA-N 371.380 4.091 0 40 FIAB COc1cccc(-c2noc([C@H]3CCN(Cc4cccc(F)c4F)C3)n2)c1 72369910 IBXAHRCESNKRTF-HNNXBMFYSA-N 371.387 4.013 0 40 FIAB CCOc1ccc(-c2nc(N3CCCCC3)sc2CC(=O)O)cc1C 95097206 BLUGFTVMBVNDNN-UHFFFAOYSA-N 360.479 4.135 0 40 FIAB C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H](O)Cc1ccccc1 95431415 SMLTXSCIXCMEKM-JPYJTQIMSA-N 359.469 4.004 0 40 FIAB COc1ccc([C@H](OC)[C@H](C)NC(=O)c2ccc3[nH]c(=S)oc3c2)cc1 95459313 HENXMFXTEPNZKH-APPDUMDISA-N 372.446 4.005 0 40 FIAB COc1ccc(CN2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)cc1 96051564 QMPRXSCEXKSISL-OAQYLSRUSA-N 354.494 4.165 0 40 FIAB CCN1C/C(=C/c2ccc(OC)cc2)c2nc3ccccc3c(C(=O)O)c2C1 97993212 YHLGVKXJKWHQPU-VBKFSLOCSA-N 374.440 4.318 0 40 FIAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)c1 100424860 NUVVCMHVENXTJO-VXKWHMMOSA-N 366.480 4.450 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 103718144 UASZKIQPTWAGQJ-QGZVFWFLSA-N 366.461 4.166 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC(C)C 222751033 FTCUVLKNTGJVHZ-HNNXBMFYSA-N 359.297 4.035 0 40 FIAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354056 HOXHZRPUQCOYCV-RTBURBONSA-N 366.490 4.230 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1Cl 224443786 RRJDPFDUNWBJFL-INIZCTEOSA-N 368.260 4.346 0 40 FIAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 224708305 CMKFMHFHLJFWPW-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)c(C)c1 225305275 ILCLAXLCAMKLOQ-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB Cc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)sc2c1 225980174 QCOSXWDWPDUXCC-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB CN(C(=O)C(F)(F)F)c1cc(-c2cc3ccccc3oc2=O)ccc1F 226358315 DVMPMAMZHZPAJK-UHFFFAOYSA-N 365.282 4.124 0 40 FIAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257201053 AFZDMYHXPZTZLM-LJQANCHMSA-N 365.408 4.167 0 40 FIAB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCc2ccccc2Cl)=N1 408989445 KSRBALNGAYRICU-QGZVFWFLSA-N 371.893 4.033 0 40 FIAB Cc1ncsc1C(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889977046 KDEPXRBQRRYVEL-UHFFFAOYSA-N 372.881 4.068 0 40 FIAB Fc1ccc(CN2CCC3(CCCN(Cc4ccccn4)C3)CC2)cc1F 2055785123 ILIOSUKXLXECPC-UHFFFAOYSA-N 371.475 4.238 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1C 686693 UFPSXQREFPEQNY-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB O=C1Nc2ccccc2NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 856472 RQNUEBUHNMYSIQ-UJKMTWAASA-N 366.420 4.101 0 40 FIAB Cc1cccc(CN2C(=O)[C@](O)(CC(=O)c3ccccc3)c3ccccc32)c1 1320487 YOMPBIPKRUCYJU-DEOSSOPVSA-N 371.436 4.002 0 40 FIAB Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(F)cc3F)sc21 1382675 LMUHSGPJTTZBGO-UHFFFAOYSA-N 361.295 4.184 0 40 FIAB CCOC(=O)n1c(=O)n(Cc2ccc(Cl)cc2Cl)c2ccccc21 1397810 FUMBNIYRIWSVIR-UHFFFAOYSA-N 365.216 4.163 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1C 1993435 NWABUCYEOYKWIH-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1F 2475975 KJVSNYCQSQRGDK-LIKPIUCQSA-N 369.395 4.222 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)cc1)OCc1nnc(-c2ccccc2)o1 2617966 QOYXWUWPQKGESV-UHFFFAOYSA-N 370.792 4.096 0 40 FIAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C 2647637 AHJRYLWPDXHRFC-KRWDZBQOSA-N 362.832 4.181 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC2CCCCC2)s1 3245928 PHUDFVPBVZEDLO-CHWSQXEVSA-N 368.572 4.164 0 40 FIAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1 3327722 XDDOZKMQYLUTKK-UHFFFAOYSA-N 369.461 4.243 0 40 FIAB Cc1cccc(NC(=O)CNC(=O)c2ccccc2Cc2ccccc2)c1C 3353651 NGEYEAQHRGBESD-UHFFFAOYSA-N 372.468 4.263 0 40 FIAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCCC3 3493746 IMGRDVQHQHSSRE-UHFFFAOYSA-N 372.515 4.447 0 40 FIAB O=C(Cc1ccccc1)Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1 4049758 UMJMOKGSQSRRCF-UHFFFAOYSA-N 367.408 4.354 0 40 FIAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@H](C)C2 4108140 WHEHYEBCGVJEHR-WDEREUQCSA-N 350.484 4.299 0 40 FIAB CC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4385671 QMGMDKBEIAVFOL-UHFFFAOYSA-N 362.260 4.070 0 40 FIAB C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 5354553 OGZGRPMIKQLVRM-KRWDZBQOSA-N 358.441 4.300 0 40 FIAB COc1cccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)c1 5615284 SILAAUITFRGTSZ-UHFFFAOYSA-N 371.487 4.400 0 40 FIAB O=C(CCC(=O)c1cccs1)OCC(=O)C12CC3CC(CC(C3)C1)C2 6048506 CMEFYBFGFVPOPP-UHFFFAOYSA-N 360.475 4.040 0 40 FIAB Cc1ccc(C)c(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 6087298 JGCQDGDRUBMKJP-UHFFFAOYSA-N 361.228 4.203 0 40 FIAB CCOc1ccc(NC(=O)Cn2cc(C=O)c3cccc(CC)c32)cc1 6285732 FUCMFLAXBMOKIE-UHFFFAOYSA-N 350.418 4.054 0 40 FIAB CCc1ccc(NC(=O)c2cc(Br)c(OC)c(OC)c2)cc1 6450618 HETAOOYVTBQEAS-UHFFFAOYSA-N 364.239 4.281 0 40 FIAB COc1ccccc1N(CC(=O)c1ccc(F)cc1)C1=NCCCCC1 7276441 JFUYJHOMHNPJFW-UHFFFAOYSA-N 354.425 4.496 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1nc2ccccc2o1 7652593 CVOCLRHNZFZWIM-UHFFFAOYSA-N 364.232 4.205 0 40 FIAB CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2F)c(C)n1 8016297 KUAFOWJHGTYJQJ-UHFFFAOYSA-N 353.850 4.179 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1Br 8049698 OEBIBJILEGOHTG-CQSZACIVSA-N 364.239 4.254 0 40 FIAB CCn1nnc2cc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)ccc21 8269174 STTIBJLOGDFTBH-FQEVSTJZSA-N 370.456 4.165 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 8518201 JGRIUVDWWIRNSQ-MRXNPFEDSA-N 373.396 4.144 0 40 FIAB CCc1ccc2c(CC(=O)N(C)Cc3ccc(OC)c(F)c3)coc2c1 8987280 ALUTZYPXLXQPOP-UHFFFAOYSA-N 355.409 4.344 0 40 FIAB COc1cc([C@H]2C[C@H]2C(=O)c2nc3ccccc3[nH]2)ccc1OC(F)F 9913669 DMMNFLOLHQIHIS-VXGBXAGGSA-N 358.344 4.159 0 40 FIAB O=c1cc(NCc2ccc(-c3ccc(Cl)cc3)o2)nc2ccccn12 10993562 QVXWTPQOGUWWJY-UHFFFAOYSA-N 351.793 4.220 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccnn1Cc1ccc(Cl)cc1 12615189 UNZYVVUCCDGGDV-UHFFFAOYSA-N 364.836 4.247 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 12800956 XYDMOBDKNDLOAW-FQEVSTJZSA-N 367.445 4.030 0 40 FIAB C[C@@H]1CN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C[C@@H](C)O1 12809249 IEQDOTSSUWILRT-ZIAGYGMSSA-N 352.459 4.213 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1Cl 12972871 YGKDPYFPUWLLQD-KRWDZBQOSA-N 357.841 4.283 0 40 FIAB CC1(C)C[C@@H](NS(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2O1 13612380 DPLKVGBCUKXAQT-MRXNPFEDSA-N 365.882 4.062 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)N(C)Cc1ccc2ccccc2c1 14188341 PRAFGPTWMITSPD-UHFFFAOYSA-N 361.441 4.252 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1C[C@H](C)O[C@H](C)C1 17327658 QLZTVSWDRXUORQ-PHIMTYICSA-N 350.871 4.021 0 40 FIAB O=C1c2ccccc2C(=O)N1CCc1csc(-c2ccccc2Cl)n1 19941861 UJVYOVMLNCCJNK-UHFFFAOYSA-N 368.845 4.302 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20451596 AWTBUSKOHFWLSM-GOSISDBHSA-N 366.505 4.247 0 40 FIAB COc1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCCC2)cc1OC 20730454 QPVPTYAQAJKMPD-UHFFFAOYSA-N 373.880 4.485 0 40 FIAB N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NC1CC1 23390109 MFBVOTCRKUBIGU-GXDHUFHOSA-N 370.811 4.244 0 40 FIAB Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1C 24560200 BNHRCXRKMNZDFV-OAQYLSRUSA-N 359.473 4.356 0 40 FIAB C[C@H](NCc1cc(Br)c2c(c1)OCO2)c1ccccc1F 25363043 GVHBEUTWKPZHMR-JTQLQIEISA-N 352.203 4.168 0 40 FIAB CC[C@@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc(OC)cc1 25515124 QPXCJXLBBSYGSX-LJQANCHMSA-N 350.418 4.160 0 40 FIAB CCCNc1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)s1 26617137 SFTUGJWXDHHDEN-ZDUSSCGKSA-N 364.540 4.405 0 40 FIAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1cccc(Br)c1 28925753 ZBEIIRSKZMWFGQ-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB O=C(c1n[nH]c2ccccc12)N1Cc2ccccc2[C@@H](c2ccccc2)C1 29703727 KDWCORRSBWABMR-HXUWFJFHSA-N 353.425 4.351 0 40 FIAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCCC[C@H]1C 32652319 VZSSTIJAIRONMH-QGZVFWFLSA-N 356.510 4.488 0 40 FIAB Cc1noc(C(C)C)c1C(=O)NCc1cccc(OCc2ccccn2)c1 32931155 LFFDOCOMWMRNOA-UHFFFAOYSA-N 365.433 4.010 0 40 FIAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 35040518 DNKLPXZPFSYRNC-AUWXEVLLSA-N 369.895 4.185 0 40 FIAB Cc1ccc(S(=O)(=O)n2cc(C(F)(F)F)c3c(Cl)ccnc32)cc1 38252630 GGLIHKGRNVVJOO-UHFFFAOYSA-N 374.771 4.254 0 40 FIAB CCC[C@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 40023931 FAFBLKUXBPFABZ-INIZCTEOSA-N 358.438 4.375 0 40 FIAB Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1F 40081835 PSWFXGIOQJUKHE-HXUWFJFHSA-N 363.436 4.186 0 40 FIAB CC1=NN(c2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)cc2)CC1 40132468 NHKLJFRFCWVVEE-AWEZNQCLSA-N 357.404 4.384 0 40 FIAB O=C(NCc1nc(-c2ccccc2)cs1)c1cc(-c2ccccc2)on1 40324685 MNENDYCMRMXYCF-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)c1 44950097 VMNCDBVKFVYTCK-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB CN(Cc1nc2ccccc2s1)[C@@H](C(=O)N1CCCC1)c1ccccc1 49655158 UZVUQFOWZARIFW-HXUWFJFHSA-N 365.502 4.092 0 40 FIAB Cc1noc(CNc2ccccc2Oc2ncc(Cl)cc2Cl)n1 55867265 LONZYNKAUBSMSD-UHFFFAOYSA-N 351.193 4.484 0 40 FIAB O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1cccnc1 56996294 YSWFANWSDMTCDG-UHFFFAOYSA-N 350.328 4.155 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1)N1CCSCC1 64471672 GFONIRAUVLZKNR-UHFFFAOYSA-N 367.449 4.307 0 40 FIAB Cc1ccccc1C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 72390070 KMOVUMPGBWDRIZ-CQSZACIVSA-N 353.447 4.126 0 40 FIAB Cc1ccc(-c2ccc(C(=O)Nc3nc(C(C)C)nn3C)c(F)c2)cc1 78622642 RUKRPHXPVTXVSI-UHFFFAOYSA-N 352.413 4.305 0 40 FIAB C[C@H](NC(=O)CN(Cc1cccnc1)C1CC1)c1ccc2ccccc2c1 89905123 IGNFKGKYONHDGY-KRWDZBQOSA-N 359.473 4.077 0 40 FIAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=O)C1CCCCC1)C2 100425891 RCBWQPNTGIJOJM-NHCUHLMSSA-N 370.537 4.277 0 40 FIAB COc1ccc(C)cc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100765401 NAOKACACPUFDLI-WOJBJXKFSA-N 355.453 4.157 0 40 FIAB O=C(Nc1ccc(Cl)cc1)Sc1nnc2c(n1)[nH]c1ccccc12 103956801 DRGOSWFMIIZHRZ-UHFFFAOYSA-N 355.810 4.484 0 40 FIAB CC(C)Oc1cccc(CCCNC(=O)COc2cccc(Cl)c2)c1 222769032 CLXDCWTTZNWGCB-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCC2 223186176 QHYQVZJUBTUYOU-OAHLLOKOSA-N 351.471 4.368 0 40 FIAB O=C(NCCOc1ccc(F)cc1)c1ccccc1OCc1ccccc1 224274837 DSEHRPZSPUQSQW-UHFFFAOYSA-N 365.404 4.214 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCCC3)c(C)c1 224767712 NLMGNLRJVZLYMU-UHFFFAOYSA-N 367.445 4.068 0 40 FIAB O=C(NCCC1CCCCCC1)c1cccc(I)c1 224965712 HSEJAWXLPAMQNU-UHFFFAOYSA-N 371.262 4.382 0 40 FIAB CCN(CCCNC(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1 225041647 ZIBIJPIDCTULFH-UHFFFAOYSA-N 360.885 4.303 0 40 FIAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(C)c(C)c1 225852510 IOAMMCIMBGGOKU-IBGZPJMESA-N 361.507 4.358 0 40 FIAB Cc1ccc(-c2cc(C)nc(SCC(=O)N[C@H]3C[C@H]4CC[C@H]3C4)n2)cc1 251260711 GHGIOAVTKFOTQC-IEZWGBDMSA-N 367.518 4.157 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)S1 260775238 PUOHFDIUCRDOIH-NIKGAXFTSA-N 364.474 4.114 0 40 FIAB CSc1ncc(/C=C/C(=O)Nc2nc3c(Cl)cccc3s2)cn1 408534782 WPUTUUBBAHIWFZ-AATRIKPKSA-N 362.867 4.114 0 40 FIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 409333158 CMQFBFBCDFWWHN-XEHFDHBKSA-N 363.413 4.410 0 40 FIAB CC(C)(C)Oc1cccc(CCC(=O)Nc2ccc(-c3cnc[nH]3)cc2)n1 532079344 QUWATKOQQVQGRT-UHFFFAOYSA-N 364.449 4.220 0 40 FIAB O=C(Nc1ccccc1-c1noc(Cc2cccc3cccnc23)n1)C1CC1 546998436 RKNHXMUOEDIALO-UHFFFAOYSA-N 370.412 4.224 0 40 FIAB FC(F)(F)C1CC(NCc2ccc(Br)c3cccnc23)C1 564115217 HXAXYNOGRKJIGR-UHFFFAOYSA-N 359.189 4.428 0 40 FIAB O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC(F)(F)F 575515 YFSXBSRGIRSXAD-UHFFFAOYSA-N 370.733 4.225 0 40 FIAB in-vitro Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 813934 GLRRCANFVUIFSP-UHFFFAOYSA-N 374.396 4.228 0 40 FIAB COC(=O)CSc1nnc(-c2ccccc2C)n1-c1cccc(C)c1C 1328278 CPVAWVUVWCCCPU-UHFFFAOYSA-N 367.474 4.125 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O[C@@H](C)C(=O)OC)cc12 1463416 SPQOFJFXNGWADV-ZDUSSCGKSA-N 368.385 4.217 0 40 FIAB biogenic O=C1O[C@H](Nc2cc(Br)cc3cccnc23)c2ccccc21 2204661 VLMGGSUCFHYTFW-INIZCTEOSA-N 355.191 4.278 0 40 FIAB Cc1cc(OCn2ccc(C(=O)Nc3cccc(F)c3)n2)ccc1Cl 2796553 MKFMPLAJOITBQQ-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3218251 LSMBJFAQAYKCLW-UHFFFAOYSA-N 371.408 4.094 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)Cc3ccco3)cc12 3244447 ZQBGDUXDLMNNTM-CYBMUJFWSA-N 365.458 4.349 0 40 FIAB CCOc1ccc(OCCSc2nnc(-c3ccc(OC)cc3)o2)cc1 3328780 PVXHDIYWAMGULI-UHFFFAOYSA-N 372.446 4.315 0 40 FIAB C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 3396990 AHZOIKVELRGOSO-QMMMGPOBSA-N 373.623 4.226 0 40 FIAB Cn1cccc1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 3447787 IKGUOFMMZWOANZ-OAQYLSRUSA-N 367.376 4.129 0 40 FIAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NC1CCCCC1 4355499 SKHZKVZUEDZPQJ-UHFFFAOYSA-N 361.898 4.338 0 40 FIAB CCOc1ccc(-c2ccc(SCC(=O)N3CCCCCC3)nn2)cc1 4355929 LZVRGMZOKWGFQY-UHFFFAOYSA-N 371.506 4.037 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 5451224 YKLNBEFFGRUSHC-NSHDSACASA-N 374.343 4.034 0 40 FIAB C[C@H](OC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1 5652835 RIJGMMPQMNYOMG-ZDUSSCGKSA-N 361.825 4.068 0 40 FIAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(OC(F)F)c1 5887220 GOQLUDJXUNMLOZ-UHFFFAOYSA-N 364.388 4.230 0 40 FIAB COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 7264940 HHCMYBVKVSFZSW-VMPITWQZSA-N 366.244 4.340 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(C)n(C3CC3)c2C)cc1 7575688 SEQNAIQTXZMZQO-OAHLLOKOSA-N 355.434 4.267 0 40 FIAB O=C(COc1ccccc1F)N1N=C(c2cccs2)C[C@@H]1c1ccco1 8189534 BFPYXSKVWOCZLK-OAHLLOKOSA-N 370.405 4.237 0 40 FIAB Cc1ccccc1-c1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 8209683 BVWNXRSFZWVYMB-UHFFFAOYSA-N 358.488 4.181 0 40 FIAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccc2ccccc2n1 8723636 GTVGNVLNRGEBPV-UHFFFAOYSA-N 371.425 4.258 0 40 FIAB COc1ccc(CC(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8862972 USLKXMIYLMNPNQ-HXUWFJFHSA-N 372.534 4.033 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2F)n[nH]1 9837181 HYWYHYKUMABCFX-GFCCVEGCSA-N 356.426 4.039 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N(C)C)cc1 10017946 UWRBRSBRLUORDC-QGZVFWFLSA-N 350.384 4.047 0 40 FIAB Cc1ccn2c(=O)cc(CSc3nc4ccccc4n3C(F)F)nc2c1 10423708 SKDKQSUIMKZNDG-UHFFFAOYSA-N 372.400 4.040 0 40 FIAB COc1cccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 11150259 QRCGASMVOSZASU-UHFFFAOYSA-N 361.397 4.305 0 40 FIAB CN(CC(=O)NCc1ccccc1)[C@H](c1ccccc1)c1ccc(F)cc1 11372524 ZNTZCAJXPCRVSU-HSZRJFAPSA-N 362.448 4.163 0 40 FIAB O=C1Nc2ccc(Cl)cc2[C@@]12Nc1ccccc1-c1nc3ccccc3n12 12377185 XUXJYUHYIYHQRB-NRFANRHFSA-N 372.815 4.435 0 40 FIAB Cc1cc(C)c(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)c(C)c1 12414758 IHFDYRSNZKFSCY-UHFFFAOYSA-N 374.488 4.410 0 40 FIAB Cn1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1 12444363 ZCCXKCHIGPGZBK-UHFFFAOYSA-N 360.442 4.463 0 40 FIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(Cl)cc1 12539360 XWZMIFZSOWVSAM-IBGZPJMESA-N 353.853 4.421 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(OC2CCCC2)cc1 12545957 PMTUSRYHYDSXEP-HNNXBMFYSA-N 354.450 4.456 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12771982 JQLYPEOOPOZACO-ZIAGYGMSSA-N 355.409 4.080 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)Cc2ccc3ccccc3c2)c(C)c1 12975702 UTDUGWXGJOUCMS-UHFFFAOYSA-N 360.457 4.062 0 40 FIAB COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1Br 12996437 RVUMCXGRKFXMTE-MRXNPFEDSA-N 360.251 4.217 0 40 FIAB C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-c2ccccc2)cc1 14230891 LRMQRBAQRUHUST-KRWDZBQOSA-N 364.489 4.227 0 40 FIAB COc1cccc(NC(=O)CN[C@@H](C)c2cccc(C(F)(F)F)c2)c1 14241372 FCETVDKRAMIBII-LBPRGKRZSA-N 352.356 4.003 0 40 FIAB CCCOc1ccc(C(=O)CCNc2ccc(CC(=O)OCC)cc2)cc1 15084603 DGEAPSYFWIAGPM-UHFFFAOYSA-N 369.461 4.266 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc3ccccc3c2)c1 15132839 IQGIIHWXGOSFFA-HNNXBMFYSA-N 365.429 4.113 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(=O)[nH]c2ccccc12 15587164 HICUCXPOHHWEPA-UHFFFAOYSA-N 362.410 4.009 0 40 FIAB CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc(OC)nc3)s2)cc1 15658638 PFWVHCOQVKNKLA-UHFFFAOYSA-N 353.447 4.337 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 16004431 RTETVXKGGHGGCB-GFCCVEGCSA-N 364.470 4.377 0 40 FIAB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)cc1C 16409019 WWNZCTCDRBVNMG-RIYZIHGNSA-N 355.781 4.411 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)Nc1ccc2c(c1)OCO2 19160245 NJZWVIGLPOUWQJ-JXMROGBWSA-N 351.333 4.466 0 40 FIAB O=C(Nc1ccc(-c2cccc(F)c2)cc1)c1ccccc1Cn1cncn1 19349819 IBOXWKWCJTWZDX-UHFFFAOYSA-N 372.403 4.385 0 40 FIAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(C)c2)cc1 19647587 IANXXNRXZOEBIV-UHFFFAOYSA-N 372.490 4.013 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 20045233 QKPFMGAIIAESTG-FQEVSTJZSA-N 368.477 4.239 0 40 FIAB CC(C)(Br)C(=O)Nc1nc2c(Cl)cc(F)cc2s1 20133186 SNSXBHNQKBZVIJ-UHFFFAOYSA-N 351.628 4.201 0 40 FIAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(Br)c1 20137984 MEJHJBKSGYHDQC-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB Cc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nn12 20427379 FXQWMZOKDVNVJG-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3ccccc3s2)n1 21684345 SPGVNFBCSAKIMG-UHFFFAOYSA-N 370.384 4.321 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c(F)cccc2Cl)c(C)c1 23651747 IDYHOPPDPOGMMN-UHFFFAOYSA-N 362.832 4.115 0 40 FIAB COc1c(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc(Cl)c1Cl 27588455 HNFVFOVBLHOHQM-JTQLQIEISA-N 360.262 4.042 0 40 FIAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3-c1ccccc1)C(=O)N2 32088590 MHKKYXNFTVCZGE-QFIPXVFZSA-N 372.428 4.226 0 40 FIAB Cc1cc(C(=O)OCc2cccc(C(F)(F)F)c2)c2c(C)noc2n1 32869373 UHZZOMCELRJNOZ-UHFFFAOYSA-N 350.296 4.215 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 32909987 HAYUHYGGVZAKFI-UTKZUKDTSA-N 365.473 4.129 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 36394725 ZSQPPLDKJBNYFX-UHFFFAOYSA-N 365.410 4.242 0 40 FIAB Cc1cc(NC(=O)[C@@H]2CC=CCC2)n(-c2cccc(Br)c2)n1 36759230 ZCGMNTFXAGLAST-CYBMUJFWSA-N 360.255 4.238 0 40 FIAB COc1cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2c(OC)c1OC 40082774 KASLELZENWXXSD-UHFFFAOYSA-N 360.797 4.099 0 40 FIAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)Nc1cccc(Cl)c1Cl 40097534 VTHATOBRWWPNBL-CYBMUJFWSA-N 361.175 4.127 0 40 FIAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1cccc(OC(C)C)c1 45889341 DJWIYNNYHPOUKG-UHFFFAOYSA-N 370.478 4.238 0 40 FIAB CC(C)Sc1ncccc1C(=O)NCCCCOc1ccc(F)cc1 48112579 NFKUZNZQBICMFE-UHFFFAOYSA-N 362.470 4.310 0 40 FIAB O=C(Oc1ccc(N2CCOC2=O)cc1)c1cc2c(s1)CCCCC2 60867712 VCHJUQCUYYRACQ-UHFFFAOYSA-N 357.431 4.193 0 40 FIAB CC1=NN(c2ccc(C(=O)Nc3cccc(-n4nccc4C)c3)cc2)CC1 65543197 UCLOVUXNAZHMBI-UHFFFAOYSA-N 359.433 4.019 0 40 FIAB Cc1ccc2c(c1)[C@@H](CC(=O)O)CC21CCN(C(=O)OC(C)(C)C)CC1 91302776 ZXASCEXLGZLAJN-HNNXBMFYSA-N 359.466 4.226 0 40 FIAB in-vitro Fc1cccc(-c2ccc3c([C@H]4CCCN4Cc4ccncc4)nnn3c2)c1 96156564 XHUYKYVCMVPFIW-HXUWFJFHSA-N 373.435 4.268 0 40 FIAB Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 100424854 OJRLTGJWOJQRQF-NHCUHLMSSA-N 366.480 4.450 0 40 FIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CC(=O)NC(C)(C)CO)(C4)C2)C3)cc1 100864052 YQYNCQPCZQDQMP-YUOVDFJASA-N 355.522 4.110 0 40 FIAB COc1ccc(-c2csc(C3=C(O)CN(Cc4ccco4)C3=N)n2)cc1 102724620 YNGIOXLZAWEIFH-UHFFFAOYSA-N 367.430 4.174 0 40 FIAB CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)c2ccccc2C1 103411709 COTJLUZKLUEZMH-UHFFFAOYSA-N 350.393 4.178 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 219302255 LFRQAJFWIZGIAY-HKUYNNGSSA-N 355.478 4.271 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1cccc(C)c1 222737665 ALXAYGJATSFLMT-MRXNPFEDSA-N 370.518 4.395 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C 222942353 QBDLCNYIXNZAPE-LLVKDONJSA-N 359.297 4.035 0 40 FIAB COc1cccc2c1N(C(=O)C(C)(C)Br)C(C)(C)C[C@@H]2C 223239005 ZOMJUAODVWYUES-NSHDSACASA-N 354.288 4.488 0 40 FIAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccccc2)cc1C(C)C 223322169 SGUZDKZDEGCENJ-INIZCTEOSA-N 361.507 4.308 0 40 FIAB Cc1nc(NC(=S)NC2CCCCC2)c(Br)cc1Cl 224036772 PFEIPCSODCLKND-UHFFFAOYSA-N 362.724 4.425 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C 224349237 HSIICLQMHABSBF-CYBMUJFWSA-N 373.324 4.283 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)c1C 225502577 BEKPQXNMSBOONC-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225650900 MYPPCHWRKZQSFI-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)C1 227115096 KRPQJLUHWPEJQU-CHWSQXEVSA-N 351.372 4.009 0 40 FIAB Cc1ccc(-c2cc(C)nc(SCC(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)n2)cc1 251260716 GHGIOAVTKFOTQC-VDZJLULYSA-N 367.518 4.157 0 40 FIAB Fc1ccccc1Cc1cnc([C@H]2CCCN(CC3CCOCC3)C2)o1 257341294 ZJTDVGPWDZESAK-SFHVURJKSA-N 358.457 4.011 0 40 FIAB Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1C 331546222 NOIGRJPOCXGCHH-LSDHHAIUSA-N 351.372 4.111 0 40 FIAB N=c1[nH]nc(/C(=C/c2cc(Br)ccc2O)c2ccccc2)s1 408718251 POVRKBMDSKWSJK-UKTHLTGXSA-N 374.263 4.008 0 40 FIAB COc1ccc(Nc2nc(-c3ccc(F)cc3)c(CC(=O)O)s2)cc1 408883261 SLFZUHHLHRBAPD-UHFFFAOYSA-N 358.394 4.329 0 40 FIAB COCc1cc(C)nc2sc(C(=O)Nc3cc(C)ccc3C)c(N)c12 409065822 UMEXTMCYSIRYFF-UHFFFAOYSA-N 355.463 4.202 0 40 FIAB CC(C)c1csc([C@H]2CCCN(Cc3ccc(C(=O)O)cc3F)C2)n1 582246911 UZFMPLLCRXEPHS-HNNXBMFYSA-N 362.470 4.483 0 40 FIAB O=C(C[C@@H]1CCCCO1)N1CCCCCCCc2ccccc2OCC1 643584431 MOHZDCNIORHYMX-FQEVSTJZSA-N 359.510 4.360 0 40 FIAB CCN(C(=O)Cc1ccc(N[C@H]2COC3(CCC3)C2)cc1)c1ccccc1 657958531 AAKVYFRBTTVZSP-HXUWFJFHSA-N 364.489 4.406 0 40 FIAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)N2CC[C@@]3(CCCOC3)C2)cc1 671199216 IMRIWWFGFUQFTP-AVRDEDQJSA-N 374.525 4.007 0 40 FIAB O=C(Cc1cncc2ccccc12)N1CCC[C@@H]1c1ccc(F)cc1F 1299342845 HCXVNXMZOTUWQL-HXUWFJFHSA-N 352.384 4.419 0 40 FIAB CC[C@@H](CSc1ccccc1)NC(=O)Nc1nnc(-c2ccco2)s1 1310160921 GGNXOLAIFFMIPS-LBPRGKRZSA-N 374.491 4.491 0 40 FIAB S=c1nc2cc(Cl)ccc2c2n(Cc3ccccc3)c(S)nn12 1889270406 IQUJEAUAFHPANE-UHFFFAOYSA-N 358.879 4.404 0 40 FIAB CC(C)NC(=O)C1(Nc2ccccc2)CCN(CC2CCCCC2)CC1 2055756538 SPASLJKYPWBCST-UHFFFAOYSA-N 357.542 4.038 0 40 FIAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1 645134 QXZKFNSXTVAHHS-UHFFFAOYSA-N 353.447 4.404 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)cc1 875933 QTVOSQBXWGRSIR-UHFFFAOYSA-N 359.495 4.139 0 40 FIAB COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cccs3)C[C@@H]21 1252398 VBQPDDRNBZLLTM-JXFKEZNVSA-N 363.442 4.394 0 40 FIAB COc1ccccc1[C@]1(CC(=O)Nc2nccs2)CCOC(C)(C)C1 1322348 SYAXQOMRVZPBCF-IBGZPJMESA-N 360.479 4.007 0 40 FIAB biogenic Nc1cc(Br)cc2c1-c1ccc(Br)cc1C2=O 1580951 WBYXBJNINLXJFK-UHFFFAOYSA-N 353.013 4.005 0 40 FIAB Cc1ccc(S(=O)(=O)NCC[C@H](C(C)C)[C@@H]2CCOC(C)(C)C2)cc1 2264358 WQDAGZWGDLOAFT-IEBWSBKVSA-N 367.555 4.141 0 40 FIAB O=C(O)c1cc2ccccc2c(-c2c(O)c(C(=O)O)cc3ccccc23)c1O 2481632 GYJACFGQPFXKCA-UHFFFAOYSA-N 374.348 4.468 0 40 FIAB O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1ccccc1O 2488493 NFWARYXGUOBGIX-UHFFFAOYSA-N 368.186 4.109 0 40 FIAB Cc1cc(C)n(C(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)n1 2764291 RQTRDEQCUJGMHF-UHFFFAOYSA-N 371.396 4.132 0 40 FIAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1 3316553 BCFUSJKZMQMJJF-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1Br 3317852 OBAMBRDTIFHVNM-UHFFFAOYSA-N 372.218 4.279 0 40 FIAB CCc1nc2ccc(C(=O)Nc3cc(OC)ccc3OC)cc2nc1CC 3421012 IDDZADQGNGBJTC-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB CC(C)Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21 3498578 ICHSVDRKBOPAAR-UHFFFAOYSA-N 371.481 4.240 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4062245 VTHUYJIXSMGYOQ-GSKAWHTLSA-N 372.505 4.409 0 40 FIAB biogenic Cc1ccc(-c2nsc(SCC(=O)OCc3ccccc3)n2)cc1 4167388 ACTKUDLTOCVUOH-UHFFFAOYSA-N 356.472 4.349 0 40 FIAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)cc1 4315248 QYOIVAWWOJIRLR-UHFFFAOYSA-N 368.868 4.034 0 40 FIAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 4731442 YMZDWRUIOYFQER-KRWDZBQOSA-N 353.809 4.152 0 40 FIAB COCc1cc(C)nc2sc(C(=O)Nc3cc(F)ccc3C)c(N)c12 4746688 YNVPDEZKMKUDAA-UHFFFAOYSA-N 359.426 4.033 0 40 FIAB C[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)N1CCCC1 4829485 FRQVGIQVRFEOKU-HNNXBMFYSA-N 351.475 4.129 0 40 FIAB COc1ccc2[nH]cc([C@H]3CC(c4ccc(Br)cc4)=NN3)c2c1 4940501 KUDRUKOMLRZGDK-GOSISDBHSA-N 370.250 4.378 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1 5348008 JIMNYXDDMQAYTH-LFYBBSHMSA-N 364.430 4.040 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2nc(-c3ccccc3)oc2C)c(C)c1 5539125 KODVOWBJYDDXSK-UHFFFAOYSA-N 364.401 4.062 0 40 FIAB CCOc1ccccc1NC(=O)CCc1nc(-c2cccc(C)c2)no1 5560879 GOVYBZYFCXDWAJ-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccc1C(F)(F)F 5783318 REWRTBBHSJSFOB-UHFFFAOYSA-N 361.323 4.130 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(C)n1C 5798315 WRFZLWSSSWGKBI-UHFFFAOYSA-N 366.446 4.148 0 40 FIAB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccc(Cl)cc3)C2)cc1 6300052 PJNFERWNYPZMNL-GOSISDBHSA-N 370.836 4.191 0 40 FIAB O=C(COc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 7850155 HXGPEQRKYADHLP-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB O=C(Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1)c1ccco1 8095424 WNWQNZJPBGJGMQ-RDJZCZTQSA-N 352.434 4.184 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)N3CCC(C)CC3)s2)cc1 8771269 ZLKMFQSWXBHUNF-UHFFFAOYSA-N 372.494 4.276 0 40 FIAB CN1CCN(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)CC1 8995926 OCVZMVZTRKYYSY-UHFFFAOYSA-N 353.853 4.013 0 40 FIAB O=S(=O)(NCCC1CCCCCC1)c1ccc(Br)cc1 10543492 HLIIOBNQPVCCKG-UHFFFAOYSA-N 360.317 4.088 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)cc1F 10729921 CINRHLDFHAWSQT-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB O=C(CSc1nc(C2CC2)n[nH]1)Nc1ccccc1Oc1ccccc1 11469078 MFICYRNQYVPLEA-UHFFFAOYSA-N 366.446 4.205 0 40 FIAB C[C@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 11470326 GYINAOMAJDJPNA-ZETCQYMHSA-N 357.266 4.108 0 40 FIAB COc1cccc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)c1 11902553 CLZJWNQMWGFFJH-UHFFFAOYSA-N 367.405 4.463 0 40 FIAB CCN1CCC[C@@H]1CNc1ncc(-c2ccncc2)c(-c2ccoc2C)n1 12222129 MCAVBWKNNZNAMZ-QGZVFWFLSA-N 363.465 4.003 0 40 FIAB CCCN(CCC)C(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 12983699 OUHMFEIWSKDCGC-UHFFFAOYSA-N 350.466 4.206 0 40 FIAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(C2SCCCS2)c1 13468313 OWHVAFQFQVPHEV-CABCVRRESA-N 363.504 4.161 0 40 FIAB CCCN(Cc1cc2cc(C)ccc2nc1O)C(=O)c1ccc(F)cc1 13479883 ONZMDUFOOBMITR-UHFFFAOYSA-N 352.409 4.440 0 40 FIAB O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccccc1 14114898 ULYTUPTYXFGVCB-UHFFFAOYSA-N 359.516 4.251 0 40 FIAB CCCCS(=O)(=O)Nc1c(C)nn(Cc2cccc3ccccc23)c1C 14226067 IMPHMBKRBFAKEX-UHFFFAOYSA-N 371.506 4.243 0 40 FIAB CC(=O)N[C@H](c1ccccn1)C1CCN(CC[C@H](C)c2ccccc2)CC1 19455628 SOLADNXPSBPMSJ-MBSDFSHPSA-N 365.521 4.165 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1C 20029918 RGPRMMAIPOQCGO-ZDUSSCGKSA-N 353.871 4.087 0 40 FIAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 20035181 APPKBGNKAGPWKH-UHFFFAOYSA-N 366.505 4.247 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20143305 ZJLDXCJZCHSZHL-UHFFFAOYSA-N 367.401 4.017 0 40 FIAB CC(C)CC(=O)Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1 20724764 IKNFAAICBMDNKG-UHFFFAOYSA-N 362.477 4.431 0 40 FIAB COc1ccc2nc(C(=O)N[C@H](c3ccccc3)c3ccccn3)ccc2c1 24884855 OPFUMUXWXUDNCD-JOCHJYFZSA-N 369.424 4.158 0 40 FIAB C[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1CCCO1 27858834 YNELBYKBRYSYCS-SMDDNHRTSA-N 353.340 4.263 0 40 FIAB C[C@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC1(Cl)Cl 31128015 CXGFNBORPZZXGE-BDJLRTHQSA-N 353.249 4.118 0 40 FIAB Cc1csc2nc(CN3CCC[C@@H]3c3ccc(Cl)cc3)cc(=O)n12 32777646 SPCGPLDZBGAUIM-MRXNPFEDSA-N 359.882 4.055 0 40 FIAB O=C(c1cc(-c2ccccc2F)on1)N(Cc1ccc(F)cc1)C1CC1 32830349 FBKMWENTLLTMHR-UHFFFAOYSA-N 354.356 4.425 0 40 FIAB O=C(NCCCCc1ccccc1)NCc1ccc(CN2CCCC2)cc1 32870558 BAIQHPDCKOAHAA-UHFFFAOYSA-N 365.521 4.105 0 40 FIAB NC(=O)Nc1cccc(NC(=O)c2cccc(OCc3cccs3)c2)c1 32938412 RFUGDAKPIZMMQE-UHFFFAOYSA-N 367.430 4.070 0 40 FIAB Cc1cc(C(=O)NC2CCCCC2)c2c(-c3ccccc3F)noc2n1 36618492 PFGJHTXJUMFKHD-UHFFFAOYSA-N 353.397 4.400 0 40 FIAB CC(=O)NCc1ccc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)cc1 36783516 XMDFCLIFCMHVSL-UHFFFAOYSA-N 362.429 4.071 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c(C)s1 40074238 IYIRKOBKIUVYLH-HNAYVOBHSA-N 372.534 4.305 0 40 FIAB O=C(NCc1ccccc1F)Nc1cccc(COCc2ccco2)c1 47602654 YJDHQTIPWWDLPM-UHFFFAOYSA-N 354.381 4.457 0 40 FIAB O=C(O)[C@@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1 49466876 LJOROKHWAVUILV-YADHBBJMSA-N 371.436 4.295 0 40 FIAB Cc1ccc(C)c(-c2nnc(OCC(=O)NC(C)(C)C)c3ccccc23)c1 49876381 LPDAKQVQESHGGF-UHFFFAOYSA-N 363.461 4.207 0 40 FIAB CN(C)C(=O)Cc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1 53796255 NPSDTZAHENSYAS-UHFFFAOYSA-N 373.456 4.313 0 40 FIAB Cc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cc(=O)oc2c1 54106011 GJMSWGMTJSPMRE-UHFFFAOYSA-N 368.864 4.077 0 40 FIAB Cc1cccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)c1C 57449853 FLWOFRGGLKDRLM-UHFFFAOYSA-N 365.452 4.420 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 59227199 JACCCYRIVXRZOS-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1C[C@H](C)c2ccccc21 60598344 OZFBNQGWCPFQDD-KBPBESRZSA-N 372.465 4.036 0 40 FIAB Cc1nc(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)co1 61718165 QIESRFXLCWHHEW-UHFFFAOYSA-N 352.206 4.123 0 40 FIAB CN1CCCc2cc(NC(=O)c3cccnc3SC(F)(F)F)ccc21 64843624 URTBFJLAYHWZRV-UHFFFAOYSA-N 367.396 4.328 0 40 FIAB CCCCNc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213667 OWWJOCUTRGWOSL-IBGZPJMESA-N 373.522 4.128 0 40 FIAB Cn1ccnc1C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 72303159 DMRAFDRYOXIURS-INIZCTEOSA-N 374.271 4.441 0 40 FIAB O=C(COc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 72357773 JXEFPICGHBFLBJ-HSZRJFAPSA-N 372.468 4.415 0 40 FIAB Cc1ccccc1CN1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 72376016 BHRMZRRWBZAQCX-LJQANCHMSA-N 359.477 4.303 0 40 FIAB Cc1nc(Oc2cncc(Br)c2)c2c3c(sc2n1)CCC3 95959871 UJDBADMIIOHEIY-UHFFFAOYSA-N 362.252 4.438 0 40 FIAB CO[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)s1 96104732 RYPOZKQDLKQNQF-OAHLLOKOSA-N 367.898 4.371 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)N(C)CCCCN(C)C)cn2)cc1C 97164643 RCLJFGAUCITZQP-UHFFFAOYSA-N 370.497 4.296 0 40 FIAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 100396984 FTAWKVYXFPFRCC-JOCHJYFZSA-N 366.505 4.473 0 40 FIAB O=S1(=O)CCC[C@H](N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)C1 108461549 UXPHLCCFNDAOQT-KSEOMHKRSA-N 369.530 4.015 0 40 FIAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 214622299 ZNMVIEBEPYDNGW-WOJGMQOQSA-N 367.426 4.157 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2F)c(C)c1 219576356 ZSBQBLGYOCAIBA-KRWDZBQOSA-N 359.397 4.107 0 40 FIAB CC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580363 SSLODWHSBGZBEB-GDIGMMSISA-N 353.491 4.458 0 40 FIAB CCOc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1Cl 222640758 CMUALNZTQHNQAN-UHFFFAOYSA-N 371.824 4.027 0 40 FIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(OC)c3)N21 222646622 OQOJDEFNAWCCCX-ZOCIIQOWSA-N 369.490 4.078 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(Cl)c2)c(C)c1 223158357 MKWBSGIIEAWCOS-UHFFFAOYSA-N 361.825 4.476 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCC(C)C)c1ccccc1 223342135 DHYFZWXQQIQZBW-QFIPXVFZSA-N 366.505 4.329 0 40 FIAB CCCSc1nnc(NC(=O)COc2cccc3ccccc23)s1 224058658 QKSWXLZBHSIHPL-UHFFFAOYSA-N 359.476 4.211 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1cccc(Cl)c1 224143445 NXCKUSQWRFYNQM-UHFFFAOYSA-N 371.820 4.451 0 40 FIAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224448809 MWOXQYPBOCLZQA-RTBURBONSA-N 366.465 4.219 0 40 FIAB CCc1ccc(CC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224700623 XFBOKUSYCHJQEE-UHFFFAOYSA-N 350.506 4.094 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1C 225130121 AUEOTEAKGQHIHY-NRFANRHFSA-N 367.489 4.226 0 40 FIAB Cc1ccc(CN(c2ccccc2C)S(=O)(=O)c2ccc(N)cc2)cc1 225312110 UVIWGUNILAULIU-UHFFFAOYSA-N 366.486 4.281 0 40 FIAB Cc1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)n1 225369917 IDLCIOILMVQESL-UHFFFAOYSA-N 369.918 4.402 0 40 FIAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cc(Cl)cc(Cl)c1 225745005 AQHYBZDHZPAVCT-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB C=C[C@@]1(C)[C@@H](C(C)(C)C(=O)O)CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)C[C@@H](C)O3 252516890 XOOCXRSGLCQNKY-VDUNVPQOSA-N 362.466 4.084 0 40 FIAB biogenic,in-vitro Cc1cncc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257201238 AGVNPFKLSMTOLM-LJQANCHMSA-N 363.417 4.080 0 40 FIAB COc1cccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)c1OC(F)F 257292220 QKNJGMVYMRVTEI-WJAIAIICSA-N 356.409 4.170 0 40 FIAB CC(=O)Nc1ccc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)cc1 524732647 GJYBHNIJSBDZGD-SFHVURJKSA-N 353.447 4.126 0 40 FIAB O=C(NCC[C@H](CCO)c1ccsc1)C1(c2cccs2)CCCC1 575605783 DKEVKUUGQKNXIX-OAHLLOKOSA-N 363.548 4.294 0 40 FIAB COc1cccc(-c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(OC)C4)cc2)c1 585319541 FFLXSBLOTCAZDV-OALUTQOASA-N 351.446 4.144 0 40 FIAB COc1ccc(-c2cc(C(=O)N3C[C@@H]4CCC[C@@H]43)nn2-c2ccccc2)cc1 606403359 ZDYUKSZCRQXKGC-UWJYYQICSA-N 373.456 4.172 0 40 FIAB Cc1cc(OCCCn2nc(C(C)C)cc2C(=O)O)cc(C)c1Cl 2037873637 ZFTXODYYZAXUKB-UHFFFAOYSA-N 350.846 4.444 0 40 FIAB CC(C)CN(C(=O)c1ccccc1F)c1nnc(-c2ccncc2)s1 1356706 QTIZONQQWHJRBJ-UHFFFAOYSA-N 356.426 4.042 0 40 FIAB CCc1c(C)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2oc1=O 2313706 XPDLYXFULDECOG-UHFFFAOYSA-N 365.429 4.298 0 40 FIAB CCCCc1nc2sc3c(NCCN(C)C)ncnc3c2c2c1CCC2 2414357 JJDDLBJSQZNUNA-UHFFFAOYSA-N 369.538 4.044 0 40 FIAB CCc1c(C)sc2ncn3nc(-c4ccc(OC(F)F)cc4)nc3c12 2791090 SIVGATMNOCZTKP-UHFFFAOYSA-N 360.389 4.478 0 40 FIAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 3284654 HRTCBBPBHDUFJX-NSHDSACASA-N 352.217 4.486 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc2ccccn12 3504380 WRRUGHPCBNPRSH-ZIAGYGMSSA-N 354.479 4.362 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@@H](C)[C@@H](C)[C@@H]3O 3870335 YPUTYHJWWMYIGF-SOZUMNATSA-N 372.461 4.300 0 40 FIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3cccnc3)[C@H]1[C@H]2C 3999452 BPMYDYKKXHFZDO-PJDYVGSDSA-N 358.482 4.122 0 40 FIAB biogenic CCOc1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 4659942 WZGYDRXKLXPUJJ-UHFFFAOYSA-N 374.440 4.268 0 40 FIAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 4699435 IZWVWFFLRWOBKI-ONDHQXCVSA-N 368.408 4.096 0 40 FIAB CSc1ncc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cn1 4815349 QBLIJGAGZMBJMI-UHFFFAOYSA-N 362.867 4.228 0 40 FIAB CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccoc1C 5364651 JKCGOVJJTCLVBA-UHFFFAOYSA-N 367.434 4.209 0 40 FIAB COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 5879898 UGKPWFBBJHEAIU-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB COc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 5882854 KYFMXVBBZSFPFK-FEBSWUBLSA-N 368.433 4.325 0 40 FIAB COC(=O)c1cc(C[C@H]2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 6003317 PHOXEIVVUWMYIC-IBGZPJMESA-N 360.453 4.048 0 40 FIAB COc1cc(C)ccc1OCc1nnc(SCc2ccc(C)cc2)n1C 6426713 NRIXMFALWABQCT-UHFFFAOYSA-N 369.490 4.312 0 40 FIAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccccc1N1CCCCC1 6615842 CKOKYCQNQIUBHE-BUHFOSPRSA-N 365.502 4.203 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccsc1)S[C@@H](C)C(=O)N2 6678975 KVOYIRFKTSBYDX-BLLLJJGKSA-N 355.488 4.405 0 40 FIAB CSc1ccccc1NC(=O)CN(C)Cc1nc2ccccc2s1 7689062 AJEZFXRDKXIBDS-UHFFFAOYSA-N 357.504 4.089 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2cccs2)cc1 7987862 GXVWTEWFWGPBPZ-CQSZACIVSA-N 370.474 4.352 0 40 FIAB Cc1cc(C)c(OCc2nnnn2-c2ccc(Cl)c(Cl)c2)c(C)c1 9341592 WWEHWKJMRMMPBW-UHFFFAOYSA-N 363.248 4.473 0 40 FIAB C[S@@](=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 9900768 HBKHQGPIMQJFMV-CJAUYULYSA-N 373.474 4.144 0 40 FIAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2cccs2)C1 12238729 FYSUUDKUGRLFSN-MRXNPFEDSA-N 364.474 4.044 0 40 FIAB Cc1ccc(N2C[C@@H](c3nc(-c4ccccc4F)no3)CC2=O)cc1Cl 12414364 QNTUSDNHDJFYEI-LBPRGKRZSA-N 371.799 4.358 0 40 FIAB O=c1c2ccsc2nc(SCc2ccccn2)n1-c1ccccc1 12543129 CJOVBHBBRHRTCV-UHFFFAOYSA-N 351.456 4.135 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2cn3c(C)cccc3n2)cc1 12628984 BUZOOQJVHIKVGM-HXUWFJFHSA-N 363.461 4.409 0 40 FIAB Cc1ccc(-c2nc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cs2)cc1 12889050 AYEGMQUYZCLNCG-IBGZPJMESA-N 365.502 4.151 0 40 FIAB CCOC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(SC)cc2)cc1 12891267 IZSGLSLGPGEJOM-UHFFFAOYSA-N 358.463 4.249 0 40 FIAB CC[C@@H](CO)Nc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3 13207240 GFJQBKGTIGTNND-ZDUSSCGKSA-N 368.481 4.031 0 40 FIAB O=C(CSCc1nc2ccccc2s1)N[C@@H]1CCOc2ccccc21 14015725 WUXJOWRGAZLJIC-CQSZACIVSA-N 370.499 4.170 0 40 FIAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1nnc(-c2cccs2)o1 14201363 FDCTVHIYNHJJHN-MRVPVSSYSA-N 361.477 4.498 0 40 FIAB CCCCSC1=NC(C)=C(C(=O)OCC)[C@H](c2ccccc2)N1C(C)=O 16639377 ZXABNUQZRKGDFP-SFHVURJKSA-N 374.506 4.316 0 40 FIAB CCC(=O)Nc1c(C(=O)Nc2cccc(C)c2)cnn1-c1ccc(C)cc1 19908725 VGRKLGALOMZZBG-UHFFFAOYSA-N 362.433 4.090 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)N1CCN(Cc2cccs2)CC1 20544204 SDEIXLKYYIJQRT-UHFFFAOYSA-N 370.305 4.405 0 40 FIAB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccccc3)cc2)cs1 21002643 ZQKZYQLIPFFGDN-UHFFFAOYSA-N 352.459 4.303 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)no2)cc1 21800519 GHDMWLZPBSWNKX-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc21 22509338 DPXGMQJFRCNKSV-UHFFFAOYSA-N 373.840 4.365 0 40 FIAB Cc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCCCCC3)cc2)cc1 24751664 JTJLPWSLFOEHCE-UHFFFAOYSA-N 360.461 4.259 0 40 FIAB COc1ccc(CC2CN(c3nc(C(F)(F)F)nc4ccccc34)C2)cc1 24829783 PIPNHHLHPJCKDP-UHFFFAOYSA-N 373.378 4.336 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)[C@@H]1Sc2ccccc2NC1=O 27233083 CRFCTKRDHJPMKZ-BZNIZROVSA-N 360.866 4.336 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 30994426 NRRFZSDYODRNMM-OAHLLOKOSA-N 371.456 4.323 0 40 FIAB CC(=O)N(C)Cc1cccc(NC(=O)c2csc3c2CC[C@@H](C)C3)c1 31370153 MRPWLXUSOVAIGT-CYBMUJFWSA-N 356.491 4.104 0 40 FIAB O=C(c1ccc(Cl)nc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 32505633 JGBJAXNMHRAOMT-UHFFFAOYSA-N 358.825 4.049 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2cc1C 32670196 UGICOPXFTGTHBJ-VVFCZOMOSA-N 371.477 4.076 0 40 FIAB FC(F)(F)SCCNc1nc(-c2cccnc2)nc2ccccc12 32935555 KKPXHOAYKYZBEV-UHFFFAOYSA-N 350.369 4.357 0 40 FIAB COc1ccc([C@H](CNC(=O)C(C)(C)C)c2c[nH]c3ccccc23)cc1 36147407 ZBDOQDOQVGMRSB-SFHVURJKSA-N 350.462 4.471 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccc2c(c1)OCO2 36396567 AMUBBKHCNUWTSC-AWEZNQCLSA-N 351.402 4.314 0 40 FIAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1(c2ccc(F)cc2)CCCC1 36710017 VXKXPUJXHLYGTC-OAQYLSRUSA-N 366.480 4.028 0 40 FIAB Brc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42772167 HWYVIOVDMNSLNM-NSHDSACASA-N 363.093 4.123 0 40 FIAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1ccsc1 48252415 FVAZIDLXRYUWMI-IBGZPJMESA-N 351.475 4.230 0 40 FIAB Cc1cc(C)cc(N(C)C(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 48324302 TXAYRFOCHFLMTJ-UHFFFAOYSA-N 363.461 4.324 0 40 FIAB C=CCOc1ccccc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 50547763 LOOJFMVYNILADZ-ATVHPVEESA-N 352.415 4.346 0 40 FIAB O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccsc2)CC1 52817007 QHIXFULXKINJDE-UHFFFAOYSA-N 351.475 4.251 0 40 FIAB Cc1ccc(F)cc1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 55531013 IUKQJMUJEFESIS-KRWDZBQOSA-N 367.380 4.110 0 40 FIAB C[C@@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nnc2ccccn12 56269505 ARKJMROKBHCXLA-CQSZACIVSA-N 360.392 4.026 0 40 FIAB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)N1CCc2ccccc21 58158645 CDLAFVSQMMCIFZ-GOSISDBHSA-N 356.469 4.343 0 40 FIAB Cc1cc(C)cc(-c2nnc(Cc3nc(-c4ccccc4F)no3)o2)c1 65185459 AISAEORROGKZJX-UHFFFAOYSA-N 350.353 4.133 0 40 FIAB Cc1nn(C)c2ncc(NC(=O)N3CCCCC[C@H]3c3ccccc3)cc12 77675472 YSEHISZLOJBFMZ-IBGZPJMESA-N 363.465 4.426 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)O[C@H](c1ccccc1)c1ccccn1 78911066 WISFMODOOFLVRN-TZZQJPOUSA-N 367.836 4.123 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 79224936 JIBJZODXWUYPGD-HOTGVXAUSA-N 362.470 4.364 0 40 FIAB c1ccc(Cc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 80346450 NQDWDPIDAZIXFX-UHFFFAOYSA-N 350.491 4.244 0 40 FIAB CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)cc12 84169912 CLXPHNKZIIRIRF-RDJZCZTQSA-N 367.424 4.236 0 40 FIAB O=c1[nH]c2ccccc2cc1CN[C@@H]1CCCc2cc(OC(F)F)ccc21 84594846 GTWUAMREJCWSHX-LJQANCHMSA-N 370.399 4.297 0 40 FIAB COc1cccc2cc([C@H]3CC(c4ccco4)=NN3C(C)=O)c(Cl)nc12 89930437 STPKJPSJGDSJNK-OAHLLOKOSA-N 369.808 4.187 0 40 FIAB Cc1csc(N(C(=O)c2ccnc(OC3CCCCC3)c2)C2CC2)n1 93238647 WDIZGRKLCUONIA-UHFFFAOYSA-N 357.479 4.367 0 40 FIAB COC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](c1ccccc1)C2 95946944 FMKZRPHZXOFRDD-AWEZNQCLSA-N 355.459 4.156 0 40 FIAB CC(C)c1nn(-c2ccccc2)cc1CNc1ccc([S@@](C)=O)c(F)c1 95971969 VJIBEEYERFUDDH-SANMLTNESA-N 371.481 4.484 0 40 FIAB Cc1ccccc1-c1nc(C)c(CNC(=O)CCc2c(C)noc2C)s1 96342870 VBKLXKXGWYPJLV-UHFFFAOYSA-N 369.490 4.281 0 40 FIAB O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2cccs2)s1 96926338 RPQZVGXYYSZBCG-UKTHLTGXSA-N 361.879 4.267 0 40 FIAB COc1ccc([C@H]2CCCCN(C(=O)c3cccc(N(C)C)c3)C2)cc1 208004013 NOOZWZIFTVUVIU-IBGZPJMESA-N 352.478 4.171 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 216291584 IWXNGECWZYDFDP-KRWDZBQOSA-N 372.852 4.263 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222801905 HBKJMNVIFNAMHC-RTBURBONSA-N 367.449 4.473 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 222854887 GODPVQSGMSFMGU-CVEARBPZSA-N 361.869 4.308 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1Cl 223981748 GIGBJNSQUOYADD-UHFFFAOYSA-N 373.861 4.401 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224169585 XZNFTGHGWXSQLP-IBGZPJMESA-N 361.869 4.309 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1 225397402 QNZIVWMJNGKCDA-KRWDZBQOSA-N 353.462 4.091 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)n1 257252126 JTQHUWYTYRSXBF-LJQANCHMSA-N 365.408 4.085 0 40 FIAB CSc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1 408631028 ZEGKMWXYUZTAHH-UHFFFAOYSA-N 369.511 4.476 0 40 FIAB CCn1cc(C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2cc(C)ccc21 408712976 DWNYZEAVJMBXBH-QGZVFWFLSA-N 362.473 4.081 0 40 FIAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1Cl 409058065 SEPSGUUONQIGSN-NVNXTCNLSA-N 359.790 4.310 0 40 FIAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)N[C@@H]1C[C@]1(C)OC(C)C 529088706 DLIWZFLURZGWCN-QUCCMNQESA-N 357.429 4.274 0 40 FIAB Cc1ccc(-c2noc(CCc3ccc(O)nc3)n2)c(OC2CCCC2)c1 585084172 CGCLBAJJJGBJFI-UHFFFAOYSA-N 365.433 4.252 0 40 FIAB CCC[C@H](C)c1cc(NC(=O)c2ccc(Nc3ccn(C)n3)cc2)n[nH]1 616447498 ZYYMAUVSISOWQK-ZDUSSCGKSA-N 352.442 4.043 0 40 FIAB C=CC(=O)Nc1cccc(C(=O)NCC2(c3ccc(F)cc3Cl)CC2)c1 1632328830 ADWALQRFEMDPNO-UHFFFAOYSA-N 372.827 4.065 0 40 FIAB Cc1c[nH]nc1C1CCN(Cc2ccc(-c3ccccc3C(=O)O)o2)CC1 1848353738 MJWMWXPFZSHLON-UHFFFAOYSA-N 365.433 4.056 0 40 FIAB CCCC(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 724330 QKYACRQELWKSFY-UHFFFAOYSA-N 353.447 4.416 0 40 FIAB CC(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 1284157 KHZSVPQIRWJHMY-LBPRGKRZSA-N 356.491 4.348 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccco1 1364346 PNHNWIDZUHGZIU-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB O=C(c1cccc(CN2CCCC2)c1)c1ccc(Br)cc1F 2515080 PLKHNQWELZINEV-UHFFFAOYSA-N 362.242 4.415 0 40 FIAB COc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)cc1Cl 2698860 GBWKNDCDKSLDEP-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(OC[C@H]2CCCO2)cc1 3415257 VSMCSKGVBGNRCZ-CTNGQTDRSA-N 351.446 4.052 0 40 FIAB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)NC1=S 3662733 JROSHRKFPIQNDR-AQTBWJFISA-N 366.486 4.042 0 40 FIAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1cccc(Cl)c1 4072915 QDTUEQBFPFYANC-UHFFFAOYSA-N 367.758 4.063 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4180775 OAABEKYZDNXNES-FQEVSTJZSA-N 373.460 4.329 0 40 FIAB Cc1ccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)cc1 4392167 JBCUUNCOTLNBFA-UHFFFAOYSA-N 370.503 4.256 0 40 FIAB CCc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCS2)cc1 4614831 RCFVYJOYCNGFEO-UHFFFAOYSA-N 368.502 4.440 0 40 FIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 4700366 SUHLNUCJAAQWEM-RTBURBONSA-N 353.418 4.095 0 40 FIAB COc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCCC2)c1 4887763 MVAGVQDHJKYVKA-CTXDPNEZSA-N 356.510 4.143 0 40 FIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 4910375 YVWNNNYSIIKFCW-OAHLLOKOSA-N 355.434 4.201 0 40 FIAB CCCc1c(C(=O)OCC)[nH]c2c1C(=O)C[C@@H](c1ccc(OCC)cc1)C2 4912228 DHPWNGPZCNWFSL-HNNXBMFYSA-N 369.461 4.455 0 40 FIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(F)cc1 5146650 MBNVSXNHVQFPSA-UHFFFAOYSA-N 351.406 4.383 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)s1 5281975 OEOQKHTWROJLFL-UHFFFAOYSA-N 374.443 4.119 0 40 FIAB COc1cccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)c1 6098386 VQWAYWNVTOLWET-UHFFFAOYSA-N 372.519 4.429 0 40 FIAB CCCN(CC1CC1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 6787562 QFYRLQIDLLADRC-JOCHJYFZSA-N 353.506 4.276 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(OC)c1 7112495 BCSMSJQTDIUMSZ-FQEVSTJZSA-N 364.401 4.064 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCC2=O)cc1 7127411 HXXPVLZTCIKBOV-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB Cc1ccc(SCCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 8312625 YZPNKVHMTFGYHC-UHFFFAOYSA-N 370.518 4.191 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)c1 8354994 VYXMGRHCNAWESY-LLVKDONJSA-N 353.340 4.214 0 40 FIAB COc1ccc(-c2nc(/C=C/C(=O)Nc3ncc(C)s3)cs2)cc1 9517030 JWSJPQHVEMCWRL-VMPITWQZSA-N 357.460 4.236 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1c(C)oc2ccc(OC)cc12 11866421 YPBDLYKMHRNYAV-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic O=C(Cn1c(=O)oc2ccccc21)Nc1c(Cl)cc(Cl)cc1Cl 12621815 MJGGFLPVXJMOCF-UHFFFAOYSA-N 371.607 4.193 0 40 FIAB O=S(=O)(Nc1ccccc1SCC(F)(F)F)c1cccs1 12631454 BPNVHXRQNWEWQO-UHFFFAOYSA-N 353.412 4.203 0 40 FIAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CNCCc1ccc(F)cc1 12661336 OJQZAFPFLBEQDS-MHXAIHSWSA-N 371.496 4.416 0 40 FIAB biogenic CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12795641 MIZOTTYDNIBEGJ-LJQANCHMSA-N 367.445 4.224 0 40 FIAB COc1ccc(C(=O)C2CCN(Cc3cccc4cccnc34)CC2)cc1 14094898 BENAIZJXEWKMRY-UHFFFAOYSA-N 360.457 4.338 0 40 FIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)c1ccc2c(c1)CCO2 14117561 ONCLQFOXFNPWSB-UHFFFAOYSA-N 358.393 4.114 0 40 FIAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc(C(F)(F)F)c1 14152460 LCQLSDLQCGUQRT-UHFFFAOYSA-N 368.380 4.395 0 40 FIAB CCN(C(=O)CN1CCCc2ccccc21)c1nc2ccccc2s1 15376092 CJZYEPZRNJSSQG-UHFFFAOYSA-N 351.475 4.102 0 40 FIAB CCc1nc2ccccc2n1C[C@H](O)COc1cc(C)c(Cl)c(C)c1 16903694 WFNWGGCZRKTSPD-HNNXBMFYSA-N 358.869 4.309 0 40 FIAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)c1 17073008 ZCGQELTUWJLAGC-UHFFFAOYSA-N 352.381 4.449 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 17289107 AQDRZYFYSYVKDJ-UHFFFAOYSA-N 352.434 4.025 0 40 FIAB O=C(Nc1ccccc1Cl)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20744511 PBOCCMIIYNVTNO-INIZCTEOSA-N 366.808 4.375 0 40 FIAB COc1ccccc1-c1nnc(SCC(=O)Oc2c(C)cccc2C)o1 20899634 NHODXXYSORQTFO-UHFFFAOYSA-N 370.430 4.060 0 40 FIAB CCc1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1 21148732 WQDNONMPDTWXGE-OAQYLSRUSA-N 372.553 4.275 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577912 DBSWBFWRBVQHRZ-KPKJPENVSA-N 354.425 4.477 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 22382490 ZMUZUHPJNDCWCZ-UHFFFAOYSA-N 362.420 4.060 0 40 FIAB CN(C)c1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1 31811674 QCIRNPXJGOUCNC-UHFFFAOYSA-N 359.401 4.407 0 40 FIAB COc1ccc(NC(=O)c2ccc(F)cc2F)cc1OCc1cccnc1 32832176 UBDZUQRPCVXWKZ-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 32890032 XLQAHZJHUQXUQR-JFIYKMOQSA-N 357.523 4.356 0 40 FIAB COc1ccc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 33809362 USOFERULIWZRMU-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB O=C(N/C(=C\c1ccccc1Cl)C(=O)N1CCCCC1)c1ccccc1 33890992 OIRXVGSFBANKQA-CYVLTUHYSA-N 368.864 4.123 0 40 FIAB c1cc2c(cc1[C@H]1O[C@H]3CCCC[C@@H]3c3cc4c(cc31)OCO4)OCO2 35741614 WDHGTNCMVJMBMN-ZQWRNJAYSA-N 352.386 4.290 0 40 FIAB Cc1ccccc1NC(=O)NCCSc1nc(-c2ccccc2)c[nH]1 38679820 YGFUTGZMLXPVMC-UHFFFAOYSA-N 352.463 4.299 0 40 FIAB CC(C)c1ccc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)[nH]c2c1 40091461 PCWVNEJSLXZFRK-FQEVSTJZSA-N 365.477 4.451 0 40 FIAB Cc1nccc(-c2cccc(NCC(=O)N[C@H]3CCCc4ccccc43)c2)n1 42120933 ZHHKOJUQNYLBSX-QFIPXVFZSA-N 372.472 4.058 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c(C)o1 44204250 NCXVIWWGHXBMLK-CYBMUJFWSA-N 357.435 4.028 0 40 FIAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 53261564 OUUWQXUIYVMHTR-KXBFYZLASA-N 367.449 4.077 0 40 FIAB O=C(NCc1cccnc1N1CCCCC1)Nc1ccc(F)c(Cl)c1 58015650 PIKNEXXONCBGCR-UHFFFAOYSA-N 362.836 4.186 0 40 FIAB C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 58522035 KFPGUDSFPVFXQC-CQSZACIVSA-N 373.419 4.219 0 40 FIAB C[C@@H]1CCCN(CCCNC(=O)CCc2ccc(Cl)cc2Cl)C1 60561677 HNFZVJVFWIAIJO-CQSZACIVSA-N 357.325 4.164 0 40 FIAB Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4F)no3)o2)cc1C 65185468 JUGCNWSNUZBELP-UHFFFAOYSA-N 350.353 4.133 0 40 FIAB O=C(NCc1cc(-c2ccccc2)on1)c1cc(-c2ccccc2F)on1 65537031 DZPGSGXZHRKEDK-UHFFFAOYSA-N 363.348 4.066 0 40 FIAB CC(=O)Nc1cccc(CNC(=O)N(C)[C@H](C)c2ccccc2Cl)c1 71819676 GFTHKFYLJXGTBL-CYBMUJFWSA-N 359.857 4.201 0 40 FIAB Cn1ccnc1CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349996 SMNOFWAMIPHRCY-KRWDZBQOSA-N 350.441 4.001 0 40 FIAB Cc1cc(Nc2cccc([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)[nH]n1 72382284 VZEPAVDXFBDTTM-KRWDZBQOSA-N 367.497 4.143 0 40 FIAB CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1 85409667 SKRPNVJHPSPEEW-NRFANRHFSA-N 361.445 4.049 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cc(C)sc1C 95349609 YGZPDZDORLRCSD-CYBMUJFWSA-N 355.463 4.050 0 40 FIAB CCCOc1ccc(CCC(=O)N[C@H](C)CCc2ccc(O)cc2)cc1 95426750 WSNLJAXEZCLLCO-QGZVFWFLSA-N 355.478 4.251 0 40 FIAB CC(C)[C@H]1CCCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 95442916 KUNXTMTVLBYPPV-MSOLQXFVSA-N 366.546 4.308 0 40 FIAB CCN1C/C(=C/c2ccccc2F)c2nc3ccccc3c(C(=O)O)c2C1 96767617 JZOMAOCGTVZCFY-PTNGSMBKSA-N 362.404 4.448 0 40 FIAB C[C@H](N[C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(Br)o1 97105337 WQHDLIQVBITBPF-SUNKGSAMSA-N 356.235 4.344 0 40 FIAB Cc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)c1 102585883 GXVJGAFAWRCNIU-YCRPNKLZSA-N 372.428 4.357 0 40 FIAB Fc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 107752088 YINWRGIHERSHJW-YADHBBJMSA-N 361.501 4.404 0 40 FIAB Cc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c(Br)n1 128247314 MYSLEXINQXJYDC-UHFFFAOYSA-N 374.213 4.335 0 40 FIAB O=C(c1cc2ccccn2c1)N1CCS[C@H](c2ccccc2F)CC1 219122839 YDBOJMUTCRBOLW-IBGZPJMESA-N 354.450 4.399 0 40 FIAB CC(=O)Oc1ccc(C(=O)N2CCS[C@H](c3ccccc3C)CC2)cc1 219288785 PEDOUPVUNVHBMP-FQEVSTJZSA-N 369.486 4.241 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219503042 FVEYCJNUVUKWKP-RDJZCZTQSA-N 369.461 4.190 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1cccc2ccccc12 223556712 BUBYSRHGYSMBCA-IBGZPJMESA-N 367.420 4.332 0 40 FIAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)c(Cl)c1Cl 223852547 XXACTVXEPNFFKJ-NSHDSACASA-N 374.289 4.084 0 40 FIAB Cc1cccc(OCCNC(=O)CSCc2ccccc2Cl)c1C 223899536 HHLXVNKUUBFHGX-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccccc3)cn2)C1 223923253 NGGWMPZGXVZWBJ-IYBDPMFKSA-N 354.523 4.051 0 40 FIAB Cc1cc(OCC(=O)NCCOc2ccc(C)c(Cl)c2)ccc1Cl 224155315 YVPGMTADYXAVQX-UHFFFAOYSA-N 368.260 4.184 0 40 FIAB COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CSc1ccc(C)cc1 224334675 HCDDUJKJYSWJIM-SFHVURJKSA-N 371.502 4.205 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 224831506 HTWMQSBBNZNNDY-IBGZPJMESA-N 366.505 4.065 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)s1 225435545 JVKNQABLKAYMNR-CYBMUJFWSA-N 351.497 4.145 0 40 FIAB COc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1Cl 225779832 HRWAJQNRHRBBEC-UHFFFAOYSA-N 371.289 4.367 0 40 FIAB Cc1noc(C)c1-c1ccnc(C2CCN(Cc3nccs3)CC2)c1 257292599 QMGDEAFDCHUKLS-UHFFFAOYSA-N 354.479 4.190 0 40 FIAB Cc1ncc(CN2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)s1 257297083 RFTDHIUJILAJTA-HXUWFJFHSA-N 369.465 4.226 0 40 FIAB Cc1cccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(F)cc2)c1 408841088 FMKQKHXJPCERDO-XSFVSMFZSA-N 357.388 4.364 0 40 FIAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)n3c4ccccc4nc23)c1 624427 IHNAZBJJGJWHIB-UHFFFAOYSA-N 367.412 4.234 0 40 FIAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 827433 LWRRRIJTASOFKG-SFHVURJKSA-N 363.244 4.451 0 40 FIAB CCOC(=O)CSCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 1069003 ODWXBHVXEMBQMS-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB CC1(C(=O)NCc2ccc(C(C)(C)C)cc2)COC(c2ccccc2)OC1 1076464 PHHGDQBYBHXGDW-UHFFFAOYSA-N 367.489 4.352 0 40 FIAB O=C(Nc1ccc(F)cc1)Nc1cccn(Cc2ccccc2Cl)c1=O 1354087 UBTPIYGTVCELIL-UHFFFAOYSA-N 371.799 4.333 0 40 FIAB COCC/N=c1\cc(-c2ccccc2)oc2ccc(Br)cc12 1916651 LFVGAPRRSMBSSR-CAPFRKAQSA-N 358.235 4.409 0 40 FIAB CSc1ccc(C(=O)c2ccccc2I)cc1 2392624 IVVMFOYPYZLKQL-UHFFFAOYSA-N 354.212 4.244 0 40 FIAB Nc1c(C(=O)NCCC2=CCCCC2)sc(=S)n1-c1ccccc1 3018627 MULWLWKRWRCNSI-UHFFFAOYSA-N 359.520 4.471 0 40 FIAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)c(C)o1 3241196 NQBHRRBDPFMVHF-SNVBAGLBSA-N 356.205 4.387 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](SCCO)c1ccccc1 3250930 DEYBSHNAFKGIAD-HNNXBMFYSA-N 355.381 4.111 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1F 3281045 RFRLOASDBJVHBF-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc1 4072853 WDMZBTOFYLKSED-UHFFFAOYSA-N 361.323 4.152 0 40 FIAB Cc1nc(SCC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1 4241178 WPUBZIOSUJVJFA-OAHLLOKOSA-N 365.502 4.168 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)C[C@@H](OC(C)=O)C[C@H]12 4946314 QLFBIUISXGEBLE-RXZUFOQRSA-N 356.462 4.400 0 40 FIAB C[C@H](Oc1nncc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 6051629 CYMMDHHGVIHKSC-JTQLQIEISA-N 362.216 4.343 0 40 FIAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 6057475 QOFLTDRKBLFNEN-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB CSCC[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 6610235 HSPWJPJSOUJSMF-LJQANCHMSA-N 365.502 4.276 0 40 FIAB O=C1OCC[C@@H]1Sc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 6972735 IAHXBRDMGQNIQV-SFHVURJKSA-N 368.433 4.145 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccc(Cl)cc1F)O[C@H](C)C2 7116979 UJYHBNSNOXWNJI-LLVKDONJSA-N 363.816 4.131 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7181221 YRBMZDUFYFMUQN-IBGZPJMESA-N 368.546 4.441 0 40 FIAB CN(Cc1ccco1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 7737030 NYVGPNBNKWILMO-FQEVSTJZSA-N 361.397 4.006 0 40 FIAB COc1ccccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 7885308 RTXVISKONRWWJO-FQEVSTJZSA-N 371.433 4.180 0 40 FIAB C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1cccc2ccccc12 7990423 BCMYPPFQMZXQEA-MRXNPFEDSA-N 361.445 4.229 0 40 FIAB O=C(CCc1cccc(F)c1)Nc1ccc(N2CCCC2=O)c(Cl)c1 8754677 LNWZPIPNMDXSNM-UHFFFAOYSA-N 360.816 4.177 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 8924887 ZNQDDYNWXSTWTF-GOSISDBHSA-N 352.409 4.118 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)c2nnc(-c3ccc(C)cc3)o2)c1C 9216635 YHIBAMSMCDYFLP-CQSZACIVSA-N 367.405 4.111 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1 10684237 DFFXJUBOHLKZCH-OXJNMPFZSA-N 368.477 4.319 0 40 FIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc2ccccc12 11122623 UPUXXSVYIYSUIS-HNNXBMFYSA-N 359.429 4.016 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1Cc1ccccc1 12041283 WFDBXXPMFOFNHV-UHFFFAOYSA-N 374.440 4.497 0 40 FIAB CC(C)n1c([C@H](C)NC(=O)Cc2c(F)cccc2Cl)nc2cccnc21 12114091 CDKYQYFFIIDVPJ-LBPRGKRZSA-N 374.847 4.225 0 40 FIAB Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1 12292304 OBPJSNXQYFOVPB-HSZRJFAPSA-N 361.485 4.165 0 40 FIAB CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1C(C)C 12391833 NWDCIFURVOBFPA-UHFFFAOYSA-N 362.495 4.176 0 40 FIAB Cn1c(SCc2ccccn2)nc2scc(-c3cccs3)c2c1=O 12543458 GUGJUEKRDWNCHR-UHFFFAOYSA-N 371.512 4.411 0 40 FIAB O=C(NCC1CCCCC1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12742930 PZYDERPVDKMTMW-UHFFFAOYSA-N 369.362 4.340 0 40 FIAB NC(=O)c1cc(SCCCC(=O)c2cccs2)nc2ccccc12 12854902 KSINZRMXPUYGOH-UHFFFAOYSA-N 356.472 4.150 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc2ccccc2n1 12914686 HHTIVHFRNVAKNJ-UHFFFAOYSA-N 371.396 4.010 0 40 FIAB COc1cc(C)c(NC(=O)c2occc2COc2ccccc2)cc1OC 12937363 HHPREHXUOMWEBP-UHFFFAOYSA-N 367.401 4.437 0 40 FIAB Fc1ccc(-c2noc(CN3CCC(Cc4ccccc4)CC3)n2)cc1 15377506 XHOBHTCUOYTXRK-UHFFFAOYSA-N 351.425 4.330 0 40 FIAB COc1ccc(-c2c/c(=N\[C@H](C(=O)O)C(C)C)c3cc(C)ccc3o2)cc1 19792888 BQLGNVPBNNGMTD-XJQMLFBMSA-N 365.429 4.427 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20482999 RRQNBFJWYXFOQQ-GOSISDBHSA-N 372.852 4.263 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1C 20490545 PYMYRSCSUCHNIO-IBGZPJMESA-N 361.482 4.341 0 40 FIAB CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccccc3F)n2)cc1 20888896 CEFMLLBQQLZZKE-UHFFFAOYSA-N 353.397 4.103 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1 21807456 HGIIEQVDLOZSBV-HXUWFJFHSA-N 363.461 4.155 0 40 FIAB CCc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCC3)cc1 22407606 LDKHNWVHNNAOGL-OAQYLSRUSA-N 355.889 4.163 0 40 FIAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 22783970 XJCNDGXHTKEXLE-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB O=C(CN1CCCc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 24363722 OQFLJQXPXNBYGU-UHFFFAOYSA-N 364.445 4.119 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CN2CCCC2=O)cc1 27248283 PVNSCNWBABNNHV-UHFFFAOYSA-N 370.452 4.313 0 40 FIAB C[C@@H](NC(=O)CCSc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 27685706 BSEIZOMRDQBASJ-LLVKDONJSA-N 365.401 4.053 0 40 FIAB CSc1ncc(Br)c(C(=O)Nc2cccc(Cl)c2C)n1 27743665 WVJNSSUXKFCLGZ-UHFFFAOYSA-N 372.675 4.175 0 40 FIAB O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCC1 28009655 ITSAQWPAFMFDGU-UHFFFAOYSA-N 360.461 4.044 0 40 FIAB CC(C)CNC(=O)[C@@H](C)SCc1coc(-c2ccc(Cl)cc2)n1 31423800 CFSKGOPRKWALDS-GFCCVEGCSA-N 352.887 4.389 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](c1cccs1)C1CCCC1 31803954 AHCLSEMHMWCTPC-HXUWFJFHSA-N 366.486 4.222 0 40 FIAB COc1cccc(NC(=O)c2sc(N(C)C)nc2-c2ccccc2)c1 32666082 RJCMKNUPZWTMFF-UHFFFAOYSA-N 353.447 4.137 0 40 FIAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2cc(F)ccc2[nH]1 32776885 AFFQWDNSSMHOLN-KRWDZBQOSA-N 354.381 4.117 0 40 FIAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c1 32810793 KYDZKSDZJAJSDJ-ZDUSSCGKSA-N 365.458 4.452 0 40 FIAB COC(=O)Nc1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1 34634864 SEUOYURJKYLAPC-UHFFFAOYSA-N 357.797 4.283 0 40 FIAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104737 IVZDMQKTPQAUAG-YOEHRIQHSA-N 370.522 4.189 0 40 FIAB O=C(c1cc(F)c(Cl)cc1Cl)N1CCn2c1nc1ccccc12 36396894 VNAADAYQSUUKTB-UHFFFAOYSA-N 350.180 4.143 0 40 FIAB O=C(Nc1ccc(F)cc1F)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38853545 MNXVBJTZGUGVPY-CQSZACIVSA-N 364.823 4.469 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCCN1CCC[C@@H](C)C1 40112679 WUIJLCLFZKWXPG-OAHLLOKOSA-N 373.928 4.439 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccnc1N1CCCCC1 40131945 CEHVMAZSTJVUBO-UHFFFAOYSA-N 371.510 4.223 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc2c(c1)NC(=O)CS2 40142559 ZQHFOXQNYDHKFY-OAHLLOKOSA-N 370.474 4.076 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(OC(F)(F)F)cc2)[C@@H](c2cccnc2)C1 40285726 QMHHKYKRTFGXRL-CQSZACIVSA-N 374.322 4.290 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCSc4ccccc43)no2)cc1 41155128 SHJIDZYEWLRICC-UHFFFAOYSA-N 352.415 4.103 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c2ccc(F)cc2n1 46169183 PKKMMBOBDZQXNA-UHFFFAOYSA-N 352.394 4.386 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)NC3CCN(C(C)C)CC3)cn2)cc1 48413355 DBFRGIWHPBVFJL-UHFFFAOYSA-N 368.481 4.177 0 40 FIAB Cn1cccc1CN(Cc1cccs1)C(=O)C1(c2ccc(F)cc2)CC1 49521775 WAKIZUDHANFINX-UHFFFAOYSA-N 368.477 4.486 0 40 FIAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C[C@H]2CCCO2)C1 54114187 VEFLWRUBCBKOMP-OAHLLOKOSA-N 365.429 4.428 0 40 FIAB COCCn1cc(NC(=O)N2CCC[C@H]2c2cccc3ccccc23)cn1 55089953 HQHJVQGUACNDGQ-FQEVSTJZSA-N 364.449 4.052 0 40 FIAB COc1cc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)ccc1NC(C)=O 56162659 UDJPWUQKXPZOIM-AWEZNQCLSA-N 369.465 4.216 0 40 FIAB COc1ccc(NC(=O)CN[C@H](C)c2cccc3ccccc23)cc1OC 57435061 UMFQRWCHRVUNOB-OAHLLOKOSA-N 364.445 4.146 0 40 FIAB C[C@@H](CNc1nc(-c2ccncc2)nc2ccccc12)CN1CCCCC1 59402379 JAFWBTIJZLMETI-KRWDZBQOSA-N 361.493 4.226 0 40 FIAB Cc1noc(Cl)c1CCC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 66664398 NFAAJTLIJXFVRK-UHFFFAOYSA-N 366.893 4.457 0 40 FIAB O=C(CCN1CC[C@@H](c2ccccc2)C1)Nc1ccccc1Br 69520059 DNWHQQLKHRXCFU-MRXNPFEDSA-N 373.294 4.267 0 40 FIAB CC[C@H](Oc1ccccc1)c1nn2c(CN3CCCCCC3)nnc2s1 71260607 YSRGWZSQGSRVNI-INIZCTEOSA-N 371.510 4.092 0 40 FIAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCC(C)CC1 71326424 VXALNEHLYUGOPB-UHFFFAOYSA-N 350.875 4.116 0 40 FIAB Cc1c([C@@H](C)NC(=O)Nc2ccc3c(c2)oc(=O)n3C)oc2ccccc12 77502049 NMCKQMWLEPZPLX-GFCCVEGCSA-N 365.389 4.069 0 40 FIAB CCN(CC)Cc1ccc(CNCc2c(C)nc3sc(C)cn23)cc1 78778233 RSIUKBUSDACVBO-UHFFFAOYSA-N 356.539 4.144 0 40 FIAB O=C1CCCN1CC[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc21 81644806 JWADUOUUZKZCLF-INIZCTEOSA-N 368.864 4.097 0 40 FIAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 89526201 XDSJOHVRRJCKNH-SNVBAGLBSA-N 357.841 4.115 0 40 FIAB COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2ccc3[nH]c(=S)oc3c2)cc1 95459311 HENXMFXTEPNZKH-GTNSWQLSSA-N 372.446 4.005 0 40 FIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CC(=O)NC5=NCCS5)(C4)C2)C3)cc1 100864045 YEWJWJQVKNAHTJ-WZGNDQMWSA-N 368.546 4.442 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1cccc(OC(C)C)c1 222862840 OYVSQFOYPZSQBP-OAQYLSRUSA-N 355.478 4.380 0 40 FIAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1C(C)C 223740582 GAKFDSYKHDMHRC-UHFFFAOYSA-N 367.898 4.293 0 40 FIAB Fc1ccc(CCCNC(=S)Nc2ncc(Cl)cc2Cl)cc1 223964896 LVZRXNMPGRUKGF-UHFFFAOYSA-N 358.269 4.447 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCCC2)cc1 224927303 DWPXLAZHVPLEBR-GOSISDBHSA-N 354.450 4.092 0 40 FIAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224956341 RNTMAIVXWMMUPW-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB S=C(NCc1ccc(Cl)cc1)Nc1nccc(-c2cccs2)n1 225185008 YOKMNRLLMHDFGL-UHFFFAOYSA-N 360.895 4.345 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1 225469629 IKGDZUHPHXVMJE-OAHLLOKOSA-N 353.491 4.169 0 40 FIAB COc1cc(C)c(C(=O)N2CCN(c3ccccc3F)CC2)cc1C(C)C 225658233 CMRFXLUQBFKBMJ-UHFFFAOYSA-N 370.468 4.229 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(C(C)C)CCCC2)c1 225861985 SOMBRXIMUXYDRA-UHFFFAOYSA-N 354.903 4.382 0 40 FIAB NNc1nc2c(Cl)cc(NC(=O)c3cccc(Cl)c3)cc2s1 226310210 HIIPAWCRJUACIT-UHFFFAOYSA-N 353.234 4.141 0 40 FIAB CCSc1ccccc1C(=O)NC[C@@](O)(c1ccoc1)c1cccs1 238833052 GJJPAAHVHZJJBF-LJQANCHMSA-N 373.499 4.119 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCc4ccccc4)OCC[C@@]31C2 257276448 NTUUBVLQHXXWFQ-HFEVTZJPSA-N 355.522 4.355 0 40 FIAB CCn1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc(C)ccc21 408712975 DWNYZEAVJMBXBH-KRWDZBQOSA-N 362.473 4.081 0 40 FIAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccc(C)o1)CC2 585103269 NXDVGUZFEIZVRC-LJQANCHMSA-N 374.550 4.010 0 40 FIAB CCN(CC)CCN(Cc1ccccc1)C(=O)c1cccc2cccnc12 588848556 CGOHEBDFDVSPAC-UHFFFAOYSA-N 361.489 4.219 0 40 FIAB O=C(Nc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1)C1CC1 590239612 VABDRWPLXIGBNU-UHFFFAOYSA-N 359.351 4.452 0 40 FIAB CC(C)Oc1cc(CNC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)ccn1 677022348 JBBXDIRSRIXXNM-IBGZPJMESA-N 353.466 4.162 0 40 FIAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccc(Cl)cc1 2313605 JSSZTZWQRJBFDP-UHFFFAOYSA-N 372.808 4.259 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Cl)c1Cl 3283595 MACFFHZVRFZDSV-LLVKDONJSA-N 364.228 4.128 0 40 FIAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1cc(Cl)cc(Cl)c1 3496161 DGUBIKPGBKSFET-VIFPVBQESA-N 367.261 4.155 0 40 FIAB CCCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1ccc(F)cc1 4062764 NSOKPQMJGHDFQP-UHFFFAOYSA-N 352.409 4.252 0 40 FIAB CCCNC(=O)OC[C@]12CO[C@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 4094080 GXXFHMDMWMPTFR-OUIOBULKSA-N 373.493 4.324 0 40 FIAB CCN(Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1Cl 4263230 AGJKXCLKJGOAQN-INIZCTEOSA-N 354.277 4.255 0 40 FIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCc1ccccc1 4667060 LJKVMJNHJLJLNF-UHFFFAOYSA-N 361.507 4.038 0 40 FIAB COc1ccc(N(CC(=O)c2ccc(F)cc2)C2=NCCCS2)cc1 4708510 COMFEEKSJCRFAH-UHFFFAOYSA-N 358.438 4.017 0 40 FIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 4808728 VIHOMLSGNCJQQU-OXFYSEKESA-N 360.885 4.260 0 40 FIAB CCCCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1C 5424244 KTXIILRJIGFDQA-CQSZACIVSA-N 350.528 4.078 0 40 FIAB C=C1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1)OCCCO3 5428158 YZYLBRHSHXEHNM-UHFFFAOYSA-N 355.821 4.171 0 40 FIAB COCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc21 6024855 AGMXNKPTYJBENM-UHFFFAOYSA-N 360.866 4.311 0 40 FIAB Clc1ccc([C@H](CCNCCCN2CCOCC2)c2ccccc2)cc1 6760275 CUFUJSJAAHFSAO-JOCHJYFZSA-N 372.940 4.174 0 40 FIAB COC(=O)c1ccc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 7007294 UDBRRXRXTUKSFY-YCRREMRBSA-N 351.185 4.399 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1 7792997 UYSJNZOOWXXDDW-UHFFFAOYSA-N 364.470 4.489 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(F)c(Br)c2)N1C1CC1 7886201 MJVQFMYOCSAKMU-INIZCTEOSA-N 361.214 4.317 0 40 FIAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 7928638 HTKQVJKLJFBIFK-HNNXBMFYSA-N 357.837 4.169 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2n1CCCCC2 8038036 BJQFMTPTOADBFH-ZDUSSCGKSA-N 354.479 4.158 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8087802 YBJDDIRXQIBNJG-MRXNPFEDSA-N 370.880 4.456 0 40 FIAB Clc1ccccc1-c1noc(CSc2nnc(NC3CC3)s2)n1 8327394 SKQCLZVYMWRFBJ-UHFFFAOYSA-N 365.871 4.108 0 40 FIAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2C)ccc1Cl 8336224 ZYWBPUNSXLYNDZ-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Nc1nnc(SCc2csc(COc3ccc(Cl)cc3)n2)s1 8749271 ACRXYJBHUMMNHN-UHFFFAOYSA-N 370.912 4.102 0 40 FIAB O=C(c1ccc(F)cc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10544606 LSQCTEXWGUEIGY-LBPRGKRZSA-N 357.816 4.375 0 40 FIAB CCN(CC(=O)NCc1ccc(Cl)cc1)Cc1cccc2cccnc12 11291121 MQEYSEJWQVDPCH-UHFFFAOYSA-N 367.880 4.027 0 40 FIAB C[C@H]1C[C@H](C)CN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 12227195 SRXFMZPEYZDFJX-HOTGVXAUSA-N 370.497 4.321 0 40 FIAB O=C(NC1CC1)[C@@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 12633620 OHNMWKWAZMIEMH-INIZCTEOSA-N 363.230 4.020 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1cccc2ccccc12 12740565 OJNXNLBHDHFSKV-ROUUACIJSA-N 368.521 4.218 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1Cl 12900764 LEOIMBDDTMJXFV-UHFFFAOYSA-N 374.849 4.485 0 40 FIAB COC(=O)c1ccc(F)c(NC(=O)c2cc(C)nc3ccc(C)cc23)c1 12987577 KSZQHIUQMDNIFW-UHFFFAOYSA-N 352.365 4.030 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14004428 ONTJMKWLUHVZMF-INIZCTEOSA-N 366.461 4.155 0 40 FIAB Cc1ccc(N2CC(=O)N(c3ccccc3)[C@H](c3ccccc3)C2=O)cc1 15413215 FVUIDZAQRHVOGE-JOCHJYFZSA-N 356.425 4.116 0 40 FIAB C[C@@H](NCc1nc2ccc(Cl)cc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 16046938 WYELALBCXWPMOB-CYBMUJFWSA-N 367.880 4.306 0 40 FIAB CCc1ccc(C(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1 16182743 SWAOVYKYMHTMFU-UHFFFAOYSA-N 362.429 4.123 0 40 FIAB CCc1ccccc1NC(=O)CN(C)C(=O)Cc1ccc2ccccc2c1 17904150 ADKPEFVPIPIXEJ-UHFFFAOYSA-N 360.457 4.042 0 40 FIAB CCOC(=O)CSCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 18709260 VPOIURPLPHKCQQ-UHFFFAOYSA-N 359.447 4.022 0 40 FIAB O=C(CC[C@H]1CCCO1)NCCc1nc(-c2ccc(Cl)cc2)cs1 19336883 AAYNCNWNQQTXDI-OAHLLOKOSA-N 364.898 4.081 0 40 FIAB C[C@@H](CCN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 19455676 PJJFJMCYGGLNNR-PGRDOPGGSA-N 364.537 4.185 0 40 FIAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 19886412 ILYHKVYYKWONHS-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(Cl)cc1 20029977 CKEKUPJNEJQVBU-SNVBAGLBSA-N 360.262 4.042 0 40 FIAB CSc1nc(NCc2ccccc2)c2c3c(sc2n1)CN(C)CC3 20436166 HVPTYPCHZLMTBD-UHFFFAOYSA-N 356.520 4.013 0 40 FIAB COc1c(C)cccc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C 20610931 KWEVBAWJLOHVDN-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(C)c1 21450510 BZVYNZIGTNGLRD-SFHVURJKSA-N 350.462 4.220 0 40 FIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)NCc3ccc(F)cc3)cc21 22502795 UVRAGKWFUCLQGR-UHFFFAOYSA-N 369.440 4.083 0 40 FIAB CCCCCOc1ccc(C(=O)NCC(=O)Nc2ccccc2CC)cc1 23977018 DDNHCVTZFFHEBZ-UHFFFAOYSA-N 368.477 4.187 0 40 FIAB O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)s1 24429754 AWRGFWDCJFIERF-UHFFFAOYSA-N 357.762 4.101 0 40 FIAB O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)[C@@H]2CCCO2)c1 25351810 JUXCMSTUCZEAIH-FQEVSTJZSA-N 360.413 4.210 0 40 FIAB Cc1cccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)n1 26829537 WTBFIUYCTROSDX-QGZVFWFLSA-N 361.470 4.495 0 40 FIAB CC[C@@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccccc1OC(F)F 27358942 SSOJBABLBBMVTB-MRXNPFEDSA-N 362.376 4.128 0 40 FIAB Cc1cccc2sc(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)nc12 27982276 NELJUKAWILFVKV-UHFFFAOYSA-N 372.837 4.348 0 40 FIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 30757630 GQRKFYMKRZRIBI-MRXNPFEDSA-N 360.866 4.196 0 40 FIAB CC(C)c1ccc(-n2ccnc2SCC(=O)N(C)Cc2ccco2)cc1 31459016 MXTKECKZIBYZPO-UHFFFAOYSA-N 369.490 4.339 0 40 FIAB CC(=O)N[C@@H](C)c1ccc(C(=O)COc2cccc(C(F)(F)F)c2)cc1 31679959 SLIOGWRTINQQNO-LBPRGKRZSA-N 365.351 4.164 0 40 FIAB CCc1ccc(OCC(=O)Nc2noc(-c3cccc4ccccc34)n2)cc1 32623946 DRQAPFYWIQWUBT-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2OC(F)(F)F)cc1 32837415 AVITVMJGKIULFV-GFCCVEGCSA-N 367.323 4.194 0 40 FIAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCCc2ccccc21 39762957 XYENLEXRQMQWPD-UHFFFAOYSA-N 352.453 4.017 0 40 FIAB O=C(Nc1ccccc1-n1cccn1)c1ccc(Oc2ccccc2)nc1 40142059 JAQNXOQBEDFZJB-UHFFFAOYSA-N 356.385 4.312 0 40 FIAB O=C(NCC[C@H]1CCCO1)Nc1cccc(OCc2cccc(F)c2)c1 40152323 ZAONWTYALMSIPG-GOSISDBHSA-N 358.413 4.095 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(F)c2)c(OC)c1 40288051 KOQKMBGGKBCTGL-HNNXBMFYSA-N 367.380 4.152 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C(F)(F)F)c1 43733670 MJLWDOBPAMSNOZ-LLVKDONJSA-N 357.759 4.443 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccnn2C(C)C)sc2ccccc12 44353943 CCMMJOGQXGWDCC-UHFFFAOYSA-N 357.435 4.108 0 40 FIAB COc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4Cl)C3)o2)cc1 49170090 QQGZIOYGDJIAIE-INIZCTEOSA-N 369.852 4.388 0 40 FIAB biogenic,in-vitro Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c2c(C)noc2n1 55868815 GJDJXUOTJXPUFN-CQSZACIVSA-N 363.339 4.263 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3C(F)(F)F)n[nH]2)cc1 57477265 FIURWNQBASIWMZ-UHFFFAOYSA-N 359.351 4.334 0 40 FIAB O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1occc1-c1ccccc1 58363040 RJDWERQKOZNEHT-UHFFFAOYSA-N 366.392 4.175 0 40 FIAB CCCOc1ccc([C@@H](C)Nc2ncnc3[nH]cnc23)cc1OCCC 58759736 WAFVWWXMHHRHJR-CYBMUJFWSA-N 355.442 4.104 0 40 FIAB Cc1ccccc1NC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1 62580633 MBQPQHDJCVHOHZ-GOSISDBHSA-N 350.443 4.166 0 40 FIAB CC(C)c1ccc(NC(=O)C[C@H]2C(=O)Nc3c(-c4ccccc4)cnn32)cc1 71287003 LKOVIJAXTBHDLR-IBGZPJMESA-N 374.444 4.196 0 40 FIAB FC(F)(F)c1ccc([C@@H]2CCCCN2c2cc(-n3ccnc3)ncn2)cc1 79017314 PPEDFEDTKKJGKQ-INIZCTEOSA-N 373.382 4.413 0 40 FIAB CC(C)c1cc(C(=O)N[C@@H](C)CC(=O)c2ccco2)c2ccccc2n1 84622436 ODVROWTULUBDSU-AWEZNQCLSA-N 350.418 4.343 0 40 FIAB CC[C@@H]1COCCN1C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 96013698 JCWZCSAFBGCGSA-CYBMUJFWSA-N 351.855 4.335 0 40 FIAB COc1cc(/C=C/C(=O)O)ccc1OCCSCc1ccc(C)cc1 96193965 PFYVFUORNHWNIP-CSKARUKUSA-N 358.459 4.414 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 219298561 LPABHJFYINSICD-ZWKOTPCHSA-N 355.478 4.469 0 40 FIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)cc3OC)N21 222646465 YTHBGVFCAFESIK-MJXNMMHHSA-N 369.490 4.078 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)s1 222829176 ZPLBOYFKPGXLCK-ZDUSSCGKSA-N 365.524 4.453 0 40 FIAB Cc1ccc(CCC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1C 223208628 BJBKWANIEKLVHZ-UHFFFAOYSA-N 355.463 4.006 0 40 FIAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223354112 HOXHZRPUQCOYCV-MOPGFXCFSA-N 366.490 4.230 0 40 FIAB Cc1ccc(CCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1C 224517218 BWJKUKJOARMOKO-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 224933370 JICMJDSKRPXHJL-LAUBAEHRSA-N 368.496 4.478 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)N[C@H](C)CC 225612567 FOXXMCLIMDGXCM-PBHICJAKSA-N 352.906 4.162 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1Cl 225642005 UKRNQDVBXOGKNX-BIWSTMPVSA-N 369.889 4.288 0 40 FIAB COC1(CNC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc2C1 225723023 GXUSNWSPTPUPOX-UHFFFAOYSA-N 364.367 4.011 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OCC)ccc1OCC 225818776 DXTZDBPBKOBFDQ-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 226344323 JUVODQRHYYEKJV-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB COc1cc(N)cc(Br)c1NC(=O)c1cccc2ccccc12 227146501 CGYWKJCXUCSQBX-UHFFFAOYSA-N 371.234 4.445 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 253499548 YVCQLADPAZVQRJ-PGFXQMKVSA-N 374.521 4.155 0 40 FIAB Cc1nc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc(N2CCC(C)CC2)n1 257289273 PXWOPAGGIJIATK-QGZVFWFLSA-N 374.529 4.136 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 408707056 GOWHNSYHOOBPCV-AOCRQIFASA-N 356.510 4.151 0 40 FIAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCCC3)cc2)c1C 409251687 VQIBYCXUEQXFDG-UHFFFAOYSA-N 368.502 4.092 0 40 FIAB C[C@H]1c2c(F)cccc2CCN1C(=O)Nc1cccnc1OCC(F)F 535751500 MQELYROEOAFZBV-NSHDSACASA-N 365.355 4.016 0 40 FIAB CC(C)(CN1CCCCCC1)NC(=O)c1csc(Cc2ccccc2)n1 643550327 CKISEYCAOJAVGQ-UHFFFAOYSA-N 371.550 4.118 0 40 FIAB CCC[C@H](NC(=O)N1C[C@@H](C)[C@](C)(CO)C1)c1cccc(C(F)(F)F)c1 663936337 RRNWVAHAEAXLFF-SKDZVZGDSA-N 372.431 4.207 0 40 FIAB CC(C)(NC(=O)c1cccc2c1OCCO2)c1ccc(C(F)(F)F)cc1 1596494111 XBLDLWJWXPKMDM-UHFFFAOYSA-N 365.351 4.142 0 40 FIAB COc1ccc2cc(C(=O)NCc3cc(-c4ccco4)cs3)[nH]c2c1 1889108871 YCMIBTLPHNRJHK-UHFFFAOYSA-N 352.415 4.428 0 40 FIAB CC(C)(C)NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 917899 FWACZVBUURZOEW-UHFFFAOYSA-N 373.400 4.152 0 40 FIAB COc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1NC(=O)CC(C)C 1324347 YWEOKTBSFOAHSC-UHFFFAOYSA-N 374.412 4.080 0 40 FIAB Cc1cccc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)c1 2095503 MLBLCHZEWMIPLB-UHFFFAOYSA-N 366.413 4.314 0 40 FIAB biogenic COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccc(C)cc4)C3=O)ccc2c1 2618619 BBARZKQYGRPKPZ-HSZRJFAPSA-N 374.440 4.124 0 40 FIAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 2649056 ILFVOWNYBBGETN-LBPRGKRZSA-N 357.460 4.450 0 40 FIAB CCCCNC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 3263125 UXLSQRRIOUAZIP-UHFFFAOYSA-N 370.518 4.338 0 40 FIAB CCOc1ccc2nc(NC(=O)CCCOc3ccccc3)sc2c1 3341144 IQYBLPVCUAMSDB-UHFFFAOYSA-N 356.447 4.493 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccnn1Cc1cccs1 3371467 ZIMZFXQHSFSYOL-UHFFFAOYSA-N 366.273 4.481 0 40 FIAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 3372559 BHXRJAWJHYRHJE-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@@H]1c1ccc(Cl)cc1 4816602 CTTRQPZQPKODHM-QZTJIDSGSA-N 370.815 4.158 0 40 FIAB CCCCOc1cccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)c1 5420747 ZXOZEPILOAUTGL-UHFFFAOYSA-N 367.401 4.233 0 40 FIAB O=C(COc1ccccc1Br)Nc1ccccc1OC(F)F 5999839 SSTRPXBULMSSNA-UHFFFAOYSA-N 372.165 4.068 0 40 FIAB O=C1/C(=C/c2ccccc2F)N=C(c2ccccc2)N1Nc1ccccc1 6046065 PCONPKYLWGQOEZ-HKWRFOASSA-N 357.388 4.483 0 40 FIAB COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 6070256 UOWGLBYIKHMCIS-HNNXBMFYSA-N 372.417 4.251 0 40 FIAB biogenic,in-vitro Cc1ccc(S(=O)(=O)NC(=O)OC2CCC(C(C)(C)C)CC2)cc1 6214418 OJQFQASTZFNNKN-UHFFFAOYSA-N 353.484 4.015 0 40 FIAB Cc1cnc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cn1 6626389 LJWJJWCDEHUNBP-UHFFFAOYSA-N 362.414 4.439 0 40 FIAB COCc1c(C(=O)Nc2ccc(NC(C)=O)cc2)sc2cccc(F)c12 6788886 CTPKCJKUHIJWSK-UHFFFAOYSA-N 372.421 4.398 0 40 FIAB O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccncc1 6978053 VFFWPTVLIBGBKU-FQEVSTJZSA-N 352.821 4.020 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)n(C2CCCC2)c1C 7139956 PKSVHSBYJUXTDV-UHFFFAOYSA-N 372.538 4.412 0 40 FIAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)o2)c1C 7195277 GMECYGCNWJYRLX-UHFFFAOYSA-N 359.451 4.441 0 40 FIAB Cc1ccc(NC(=O)[C@H](NCc2ccc3c(c2)OCO3)c2ccccc2)cc1 7377932 HVWQRVARNFNDMG-JOCHJYFZSA-N 374.440 4.193 0 40 FIAB CN(C)c1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 7723905 QKPVKDDPLHIOFM-UHFFFAOYSA-N 359.401 4.407 0 40 FIAB COc1cc(C(=O)NCc2ccc(Cl)cc2Cl)cc(OC)c1C 7988898 ZRJCTHZTBNGWAM-UHFFFAOYSA-N 354.233 4.249 0 40 FIAB C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(Br)cc1 8054419 ZSGQINNZTCCGGS-LLVKDONJSA-N 359.223 4.010 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCCCC3)ccc21 8958881 VUTWNRFDGUMWOJ-UHFFFAOYSA-N 358.482 4.367 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2Cl)c1 9156728 QMWRQAHEOIWDSV-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB Cc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3C)cc1Cl 9212228 WEHMITKWBSJRMR-UHFFFAOYSA-N 370.888 4.305 0 40 FIAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccccc3C)s2)cc1 9360544 CYAGVJMFQUUQBE-FMIVXFBMSA-N 351.431 4.278 0 40 FIAB Cc1n[nH]c(SCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)n1 11658820 PPVKKPNTCZPKIL-UHFFFAOYSA-N 362.458 4.247 0 40 FIAB Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccn(C)n3)sc2c1 12444420 SLBQYONHXPSCNK-UHFFFAOYSA-N 362.458 4.185 0 40 FIAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCCCC1 12591031 INBAJVBTRUWEDF-UHFFFAOYSA-N 372.490 4.016 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccc(F)cc1Cl)O[C@H](C)C2 12977257 QYXGEZTXKXFXMY-LLVKDONJSA-N 363.816 4.131 0 40 FIAB COc1ccc(C(=S)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 13691637 IEBWSCBNJWMJDA-UHFFFAOYSA-N 361.894 4.008 0 40 FIAB CCCN(CC1CC1)Cn1nc(-c2cc(Cl)ccc2OC)[nH]c1=S 14169517 YJHRLQWGZXRLSL-UHFFFAOYSA-N 366.918 4.349 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 14404712 YZJCNEWQBLIKLZ-UHFFFAOYSA-N 374.400 4.277 0 40 FIAB Cc1nc(/C=C/C(=O)Nc2ccnn2Cc2ccccc2Cl)cs1 14853190 BUMARCBNLZEYPL-VOTSOKGWSA-N 358.854 4.002 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(CCC(C)=O)cc1 15369480 LXCHJZGZQKFSBQ-MRXNPFEDSA-N 355.434 4.013 0 40 FIAB COc1ccc(NC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)cc1 16746045 PKQUGMXYCUQOKU-SFHVURJKSA-N 367.426 4.294 0 40 FIAB CCCC(=O)N1CCC(c2ncc(-c3ccncc3)c(C(C)C)n2)CC1 19501171 RTINQHWBTHROQE-UHFFFAOYSA-N 352.482 4.168 0 40 FIAB CCCOc1cccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)c1 20141468 BEGRSCPZOHPSFK-UHFFFAOYSA-N 363.797 4.088 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20491575 SLNIECFHOVNDLV-HNNXBMFYSA-N 368.477 4.183 0 40 FIAB Cc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCc2ccccc2C1 22906897 KGRFOOCRWZRTSX-NRFANRHFSA-N 360.457 4.117 0 40 FIAB CCOc1ccc2nc(NC(=O)[C@@H](C)Oc3ccccc3F)sc2c1 24538318 BCEHGFLWYRLKDF-LLVKDONJSA-N 360.410 4.240 0 40 FIAB CNc1nc(S[C@@H](C)C(=O)c2ccc(OC)cc2)nc2ccccc12 24600485 NAEIOLSQMCGGLK-LBPRGKRZSA-N 353.447 4.044 0 40 FIAB Cc1nnc(COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)o1 24904796 NAYINQPFOZAMBL-UHFFFAOYSA-N 362.307 4.421 0 40 FIAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@H]1Cc2ccccc2O1 27276318 FPDKUYKKUVHRSZ-OAQYLSRUSA-N 363.388 4.347 0 40 FIAB Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662557 PWMYBIXNPWAWPZ-LJQANCHMSA-N 372.534 4.169 0 40 FIAB Cc1cc2oc(C(=O)Nc3ccc(Br)cc3)cc(=O)c2cc1C 27664614 WFELUQVIXCYCQF-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB CNc1snc(C)c1C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 28732528 MSQUINQOAAKEPU-UHFFFAOYSA-N 367.474 4.345 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccccc1Oc1ccccc1 29111547 HDUVGLNMRSXGSI-UHFFFAOYSA-N 356.385 4.312 0 40 FIAB Clc1cccc(-c2cnc(CN3CCN(Cc4ccccc4)CC3)o2)c1 29630373 QXTZLKGMKBYKHK-UHFFFAOYSA-N 367.880 4.313 0 40 FIAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccncc2)cc1 38145182 VONUOVKRMBXJMQ-RXFWQSSRSA-N 374.421 4.091 0 40 FIAB O=C1NCCCC[C@@H]1Sc1nc2ccccc2n1CCc1ccccc1 40025133 CZYDFRJSOBPIIG-IBGZPJMESA-N 365.502 4.040 0 40 FIAB COCCCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 40032234 TZRILNDHPLDDOV-UHFFFAOYSA-N 364.445 4.094 0 40 FIAB COc1cccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 40946457 WLMMCJQUTVNTOA-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB Cc1cccc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)oc12 41306832 TUPHJZDHDQADJZ-UHFFFAOYSA-N 354.837 4.357 0 40 FIAB COc1ccc(-c2nc(CSc3nc(-c4cccs4)n[nH]3)co2)cc1 42688336 QXUCKVNQRLIGCS-UHFFFAOYSA-N 370.459 4.489 0 40 FIAB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 44087586 VTZMRXKGCVHJKH-UHFFFAOYSA-N 371.893 4.339 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 44903231 QPIZZVHESQGBIP-FQEVSTJZSA-N 368.477 4.238 0 40 FIAB CCOc1ncccc1NC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 48081300 XGVCPRFENWFBFN-CYBMUJFWSA-N 350.422 4.113 0 40 FIAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H]3CCCCC3=O)c12 58943122 UFFFBWARRAKULJ-QGZVFWFLSA-N 370.449 4.357 0 40 FIAB Cc1cc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c2ccc(F)cc2n1 65418844 KFNWMBMBHUXIJP-SFHVURJKSA-N 368.383 4.465 0 40 FIAB Cc1ccc2nc(NC(=O)[C@@H]3CCCN3C(=O)C3CCCCC3)sc2c1 71851807 BCWBXMSKBFLRRR-INIZCTEOSA-N 371.506 4.115 0 40 FIAB C[C@H](NC(=O)CCOc1ccccc1F)c1ccc(OC(F)(F)F)cc1 71881684 BVNCNSJLQHUUNW-LBPRGKRZSA-N 371.330 4.371 0 40 FIAB Cc1cccc(CN2CCC[C@@H](c3cc(-c4cnn(C)c4)cc(C)n3)C2)c1 72353636 HXRHBVIASYNZLG-HXUWFJFHSA-N 360.505 4.479 0 40 FIAB COCCn1ccc2c(NC(=O)c3cnn(-c4ccccc4)c3C)cccc21 79479685 KJMNISFFPCGKRD-UHFFFAOYSA-N 374.444 4.034 0 40 FIAB C[C@H](CCCc1ccccc1)C(=O)NCc1cccc(Cn2ccnc2)c1 95462902 UBWQCXVAWCYTFZ-LJQANCHMSA-N 361.489 4.207 0 40 FIAB Cc1ccc([C@@H](N)c2n[nH]c(COc3ccc(C(C)(C)C)cc3)n2)cc1 95534179 JZJLEZPLAWROAV-LJQANCHMSA-N 350.466 4.038 0 40 FIAB COc1cccc([C@H](C)CC(=O)N[C@@H]2C(=O)Nc3ccc(C(C)C)cc32)c1 96011921 VMFUTHBHBIFVGS-SZNDQCEHSA-N 366.461 4.122 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2C)cn1 96266359 YLCJLRFNTLJAIM-UHFFFAOYSA-N 369.428 4.105 0 40 FIAB O=C(NC[C@@H]1CCOc2ccccc21)N[C@@H]1CCOc2c(Cl)cccc21 108886844 VFOVMCHNJGRFSB-SUMWQHHRSA-N 372.852 4.029 0 40 FIAB O=C(C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1)c1c[nH]c2ccccc12 206670683 FLHBUGPFSXIDDX-INIZCTEOSA-N 364.420 4.286 0 40 FIAB COC1CCN(C2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)CC1 206766585 MCVDQTFBGVKFTI-UHFFFAOYSA-N 373.541 4.091 0 40 FIAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222757373 SGNXEIJOEPYBDW-INIZCTEOSA-N 372.896 4.030 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccccc1C(C)C 223794992 DOYYUJNVYMXXSY-SFHVURJKSA-N 371.477 4.171 0 40 FIAB COCc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 224178765 FITKRNAZEQDNQO-UHFFFAOYSA-N 360.262 4.082 0 40 FIAB CC(C)CCNC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224889701 JVVDGUMAGLZNPA-UHFFFAOYSA-N 365.271 4.199 0 40 FIAB Cc1nc(/C=C2/SCCN2C(=O)COc2ccc(Cl)cc2)cs1 225259368 COVKYLAQHZIJGR-LZYBPNLTSA-N 366.895 4.058 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C)n1 225873713 UBSSJBPFEPDBIK-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB COC(=O)/C=C/c1ccc(-c2ccc(I)cc2C)o1 226302035 MZXOMLBOFJLNBH-VMPITWQZSA-N 368.170 4.046 0 40 FIAB CC1(C)CN(C(=O)Nc2ncc(C3CCOCC3)s2)[C@@H]1c1ccncc1 333615761 FONYXHXZPBRMPI-MRXNPFEDSA-N 372.494 4.047 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 408708840 ULTRFLPKTZPZPR-GTPINHCMSA-N 374.500 4.290 0 40 FIAB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c(OC)c1 408988307 HPJYUUOYRRHLQT-UHFFFAOYSA-N 356.447 4.350 0 40 FIAB CC1=C(C)C[C@@H]2C(=O)N(CCOc3ccc(C(C)(C)C)cc3)C(=O)[C@H]2C1 409377880 LWLLMDJQTBCPOV-OALUTQOASA-N 355.478 4.094 0 40 FIAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Nc2ccc3nc(C)nn3c2)o1 572049281 OKCJUHPXMWSWQT-DYVFJYSZSA-N 367.453 4.198 0 40 FIAB c1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)cc1 585105465 XAXFBJOCCQWHRB-JOCHJYFZSA-N 366.505 4.060 0 40 FIAB Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1 1378894 OCETYEQWKZTRCO-OUKQBFOZSA-N 363.442 4.356 0 40 FIAB CCCCOC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 1778533 YXZYQJPOIUSUQE-NSHDSACASA-N 350.509 4.252 0 40 FIAB Cc1ccc(C)c(CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c1 2245374 AFOKZGDXNDDRDZ-UHFFFAOYSA-N 363.483 4.046 0 40 FIAB COc1cccc([C@H]2C[C@H](c3cccc4ccccc34)n3nc(N)nc3N2)c1 2403566 LAKRUXUMMKVJSU-WOJBJXKFSA-N 371.444 4.168 0 40 FIAB CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3nc(N)nc3N2)cc1 2472081 PRJUVXSXGWTMDH-DLBZAZTESA-N 369.856 4.059 0 40 FIAB CSc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 2499970 BNTADEQEEBBNIU-HZPDHXFCSA-N 357.870 4.195 0 40 FIAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1 2637411 HGKOYLZSSYDQMN-ZDUSSCGKSA-N 370.430 4.204 0 40 FIAB COc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1Cl 3263637 YUADGHPNWXUIOO-UHFFFAOYSA-N 359.838 4.023 0 40 FIAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1-c1ccccc1 3359573 VOPKTDHTGBUMNX-UHFFFAOYSA-N 372.346 4.173 0 40 FIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c1C 4093927 WWVZWWFLODMUJM-GQSCTRQFSA-N 359.425 4.407 0 40 FIAB O=C(Cc1cccc2ccccc12)Nc1sc2c(c1C(=O)O)CCC2 4174291 YZRKRXFOGMSNIU-UHFFFAOYSA-N 351.427 4.269 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc2ccccc2c1)C(=O)O 4241080 NIOMUOZNEGRIFH-OAQYLSRUSA-N 355.434 4.237 0 40 FIAB CCNc1nc(NCC)nc(Nc2ccc(Oc3ccccc3)cc2)n1 4329698 LBNGCCDFMRIIFT-UHFFFAOYSA-N 350.426 4.271 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(CC)cc1 4852791 RSDTTYWNKIRHHH-DYESRHJHSA-N 352.434 4.417 0 40 FIAB CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@H](c2ccccc2)C1 5024801 RMTURHIUZLMVJG-NRFANRHFSA-N 372.424 4.463 0 40 FIAB C[C@H](OC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 5454758 RFDAKUZFDHWCFY-BZSISCHUSA-N 355.478 4.188 0 40 FIAB COc1ccc2c(CC(=O)Nc3nc(-c4ccccn4)cs3)coc2c1 6919933 UALRVDYMKOMTAL-UHFFFAOYSA-N 365.414 4.141 0 40 FIAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Br)cc1 7146519 CZHHESZUJMPZBY-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccc(OC)cc1 7548449 OEFKHEBRMQWDME-HXUWFJFHSA-N 354.450 4.348 0 40 FIAB Cc1ccccc1OCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8327703 XSOVGAFWARGHOU-UHFFFAOYSA-N 367.445 4.074 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 9112556 CCGIWGZCXYKNFA-MRXNPFEDSA-N 356.491 4.423 0 40 FIAB CCCCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc21 9358090 RKTTUJZYRVMLCD-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB CCn1c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)nc2ccccc21 10652350 OEJSJVGUGLWIEM-UHFFFAOYSA-N 361.405 4.031 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(C)s1 12147001 WDHPGWMLSVPDOB-UHFFFAOYSA-N 355.507 4.354 0 40 FIAB C[C@H](Sc1nnnn1-c1ccccc1)c1nc2ccccc2n1C(F)F 12525524 LHCDWTUNLFRVPA-NSHDSACASA-N 372.404 4.260 0 40 FIAB CC(C)(C)c1ccc(OCCCC(=O)NCCCCCCC(=O)O)cc1 12875176 VORFYVXOLUKNOR-UHFFFAOYSA-N 363.498 4.294 0 40 FIAB CC1(C)C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 13671860 FRUAKTGETGMLOH-MRXNPFEDSA-N 365.882 4.062 0 40 FIAB Cc1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c(Br)c1 13858136 LGZKONXRWLMURM-UHFFFAOYSA-N 371.234 4.369 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCCC2)oc2ccc(F)cc12 14246226 HJACQHLOKPTOCX-QGZVFWFLSA-N 370.424 4.430 0 40 FIAB Cc1ccccc1C(=O)Nc1cnc2sc3cc(Cl)ccc3n2c1=O 14291590 DMPKVJUJXCGMOG-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB CCN1C(=O)[C@@H](Cc2cc(OC)ccc2Br)c2ccccc21 15018002 FAYOZULSNSEEIS-HNNXBMFYSA-N 360.251 4.151 0 40 FIAB O=C(/C=C/c1cc(Br)ccc1OC(F)F)Nc1cccnc1 15435653 IKCHXMFTLCUNKC-ZZXKWVIFSA-N 369.165 4.097 0 40 FIAB COc1ccc(C(=O)NCc2csc(-c3ccccc3)n2)cc1Cl 15832453 URWUPPHKSRZTEP-UHFFFAOYSA-N 358.850 4.402 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)c1cc(C(C)C)nc2ccccc12 18023596 AUMXLXQYJHYOOG-UHFFFAOYSA-N 362.429 4.462 0 40 FIAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1)C3 19882331 LHZMJPCHLWZWQU-UHFFFAOYSA-N 355.821 4.361 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 19931836 JLPJFXUZJLQGEE-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB CC[C@@H](C)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 20427629 PPPZZTJVCRJORQ-GFCCVEGCSA-N 355.434 4.312 0 40 FIAB COc1cccc(Cn2cnc3c(-c4cccc(F)c4)csc3c2=O)c1 23126023 YCXGIQUFUWIFER-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)N[C@@H](Cc1ccccc1)c1ccccc1 25285267 NUPKZHYGYXJNEV-NRFANRHFSA-N 373.452 4.448 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(C/C=C/c2ccccc2)CC1 25436209 BFTUPFMMXWFXEJ-QPJJXVBHSA-N 374.406 4.177 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)NCC(C)(C)N1CCCCC1 26241546 GIBKULDXKMCYJJ-UHFFFAOYSA-N 357.523 4.113 0 40 FIAB CC(C)c1noc([C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 27765962 NXWKCTBTMMUHMT-ZDUSSCGKSA-N 368.403 4.095 0 40 FIAB Cc1ccc(Sc2ccc(NC(=O)c3ccn(C)c(=O)c3)cc2)cc1C 30762835 NUJKVFDBUJPENK-UHFFFAOYSA-N 364.470 4.406 0 40 FIAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc2ccccc12 32119108 URVPVAXPOAGDOY-UHFFFAOYSA-N 364.514 4.269 0 40 FIAB CC[C@H](Sc1nc(C)c(Cc2ccccc2)[nH]1)C(=O)Nc1cc(C)on1 32511579 QWGCNMOBUDBRTH-INIZCTEOSA-N 370.478 4.115 0 40 FIAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCC(C)C)n2)cc1 32579142 UFAPOEMHFQPQNP-UHFFFAOYSA-N 365.433 4.010 0 40 FIAB CN(C)C(=O)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 32770324 LLEVVNAAJMIHSM-UHFFFAOYSA-N 355.825 4.309 0 40 FIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(OCC)cc1)C2 35312306 ASKZNOIPHOZQED-AYHJJNSGSA-N 361.555 4.167 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 36694852 LECSGFRWIKIIEC-INIZCTEOSA-N 364.489 4.082 0 40 FIAB OC1=Nc2c(ncn2-c2cccc(Br)c2)[C@@H](c2cccnc2)C1 40288466 NRLLWQWUTXMWBN-CQSZACIVSA-N 369.222 4.153 0 40 FIAB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2ccccc2)CC(O)=N3)cc1 40309060 DJSFLULJNZXIFS-INIZCTEOSA-N 362.385 4.308 0 40 FIAB biogenic CC(C)(C)[C@H](NC(=O)Nc1cccc(N2CCNC2=O)c1)c1cccs1 47521851 GOELRBVNFPUGCT-MRXNPFEDSA-N 372.494 4.187 0 40 FIAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 48234175 BGQASLXVHNSLEG-GDBMZVCRSA-N 374.531 4.026 0 40 FIAB Cc1ccc2c(c1)CCCN2C(=O)Cc1c(C)nn(-c2ccccc2)c1C 48278124 LDRIGWNKNOILSL-UHFFFAOYSA-N 359.473 4.319 0 40 FIAB CC(=O)NCc1ccc(C(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)cc1 48343543 WPXZTHFTFKRWDF-HXUWFJFHSA-N 370.468 4.369 0 40 FIAB CC(=O)Nc1ccc2c(COc3ccc(F)cc3Cl)cc(=O)oc2c1 49579000 YMFIDFHZZRMBPT-UHFFFAOYSA-N 361.756 4.123 0 40 FIAB CC1CCC(N(C)C(=O)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)CC1 50137958 LOHVHUMWYWFDEP-UYJPIKCFSA-N 360.433 4.157 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc(-c2cccs2)[nH]c1=O)c1ccccc1 63913035 PICNYVMZYCSASB-GOSISDBHSA-N 352.459 4.231 0 40 FIAB c1ccc([C@H]2c3ccccc3CCN2Cc2ccnc(N3CCCC3)n2)cc1 72348141 RAPYDNZZFKMBBL-QHCPKHFHSA-N 370.500 4.225 0 40 FIAB COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)C4CCCC4)C3)n2)c1 72359646 PBXBLHBMAPDXDT-GOSISDBHSA-N 365.477 4.048 0 40 FIAB O=C(NCc1cccs1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200242 IQFITEUTIVLWPL-CVEARBPZSA-N 373.478 4.107 0 40 FIAB O=C(NCc1ccco1)C1CCN(Cc2csc3c(F)cccc23)CC1 79058615 WKJBQYVHYRCUMO-UHFFFAOYSA-N 372.465 4.162 0 40 FIAB CC(C)n1ccc2c(NC(=O)CCN3Cc4ccccc4C3=O)cccc21 95476050 WVEULAJRRRLVCA-UHFFFAOYSA-N 361.445 4.207 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)c1C 96002230 BHKLGXUDIXRQBV-ZDUSSCGKSA-N 368.481 4.169 0 40 FIAB Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(Cl)cc4)C[C@H]3F)[nH]c2c1 96112301 ZGGJGUFZMZVRJW-APWZRJJASA-N 373.859 4.264 0 40 FIAB biogenic,in-vitro O=C(N[C@@H]1CCCN(c2nsc3ccccc23)C1)OCc1ccccc1 98181657 JJNMLOGYBRAKJY-MRXNPFEDSA-N 367.474 4.192 0 40 FIAB CC(C)C(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C(C)(C)C)nn32)CC1 100159279 JVOMTSDLJQXIQM-IYBDPMFKSA-N 356.514 4.073 0 40 FIAB O=C(c1ccc(O)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 106937302 OSCKQCVENLJRRE-OFNKIYASSA-N 370.408 4.145 0 40 FIAB O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)N1CCC[C@@H](O)C1 106948734 IUKSFWBBZUJNDL-CYBMUJFWSA-N 371.437 4.091 0 40 FIAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 216921319 VKNYYSPPPHDBSA-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB Cc1cc(CNC(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1C 222561585 RNNFEXRZHNDHFA-UHFFFAOYSA-N 358.873 4.156 0 40 FIAB O=C(CSCc1ccc(Br)cc1)NCC1=CCCCC1 223453240 FOTPZJJRAZQVIJ-UHFFFAOYSA-N 354.313 4.299 0 40 FIAB Fc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)nc2)cc1 223948628 XCSBBUAPYAMGPD-UHFFFAOYSA-N 353.422 4.500 0 40 FIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 224128270 CUGFZGNPVWHGCS-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB Cn1c(=O)sc2cc(NC(=O)CCc3cccc4ccccc34)ccc21 225065713 DFUZQLARZIJXJQ-UHFFFAOYSA-N 362.454 4.325 0 40 FIAB CCOc1ccc(CC(=O)NCc2ccc(Oc3nccs3)cc2)cc1 225647027 YXYDZIXIVNBDDN-UHFFFAOYSA-N 368.458 4.193 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)cc1 225687123 RQIYVQGBXQZVGW-QFIPXVFZSA-N 362.517 4.257 0 40 FIAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)C(C)C 225762361 RGCOGBMFPXWYJO-LJQANCHMSA-N 369.534 4.381 0 40 FIAB COc1ccc(CN(Cc2cccnc2)C(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 247883628 JYPSDDOCUHUUOY-AERCQKQUSA-N 350.462 4.055 0 40 FIAB COc1ccccc1-c1noc(C)c1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 252013830 UMHHMTLZIXLVEC-QEWYBTABSA-N 354.450 4.213 0 40 FIAB O=C(C1CCCC1)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 257205572 AZRYJABQXXMCBB-OAHLLOKOSA-N 373.884 4.148 0 40 FIAB CC(C)(C)C(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 408626306 GJHQEFSJBOSHHN-UHFFFAOYSA-N 367.474 4.032 0 40 FIAB O=c1nc2n(nc1-c1ccccc1)[C@H](c1ccccc1F)Nc1ccccc1-2 585157962 XQLKAZXEYWKJPV-HXUWFJFHSA-N 370.387 4.084 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(c(N)c12)C(=O)CC(C)(C)C3 618255808 AFUBMJRIYUUDBS-UHFFFAOYSA-N 354.841 4.120 0 40 FIAB C[C@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(C(F)F)nc1 657924684 DYRDVQLPBNYANJ-ZUZCIYMTSA-N 371.225 4.166 0 40 FIAB COc1ccc2cc(C)c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nc2c1 932977 HMXGZNKTQWYJIV-GASCZTMLSA-N 358.507 4.433 0 40 FIAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2cccs2)c1 1377860 RANWOBBCXMYUCK-OALUTQOASA-N 354.519 4.372 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)Oc2cc3c(cc2Br)OCO3)C1(C)C 1595740 UWGUZNCQFYSEFK-BMIGLBTASA-N 367.239 4.322 0 40 FIAB Cc1cccc(-c2nc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn3n2)c1 2413459 HBPJSANIPMSXND-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cccc(Cl)c1 2419292 WMBJPIBGPIPDKQ-XMZCSZCVSA-N 352.865 4.367 0 40 FIAB CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2472237 MGNSSRFDNRJRKD-SJORKVTESA-N 369.856 4.059 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)N3CCCCC3)s2)cc1C 2622569 RUDDPIROFCGXMU-UHFFFAOYSA-N 362.524 4.003 0 40 FIAB CCc1cc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cs1 2736187 FTPOEFUPHLCSEL-UHFFFAOYSA-N 370.499 4.314 0 40 FIAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccc(-n4cccn4)cc3)no2)cc1 2798030 LIBHEBQEQCICNX-UHFFFAOYSA-N 372.428 4.108 0 40 FIAB COc1cccc2c1O[C@]1(C)C[C@H]2NC(=S)N1c1ccc(Cl)cc1 2963324 JKQJMBAFRCQFQD-RDTXWAMCSA-N 360.866 4.283 0 40 FIAB COc1cc(CC(=O)Oc2ccc(C(C)(C)C)cc2)cc(OC)c1OC 3282684 NBMGKQVHJMCJSU-UHFFFAOYSA-N 358.434 4.158 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 3328678 UKTXKJWXYRPKDL-UHFFFAOYSA-N 373.714 4.034 0 40 FIAB Cc1cccc(CSC2=NCCN2C(=O)c2cc3ccccc3o2)c1 4120244 OFYJNHSAQBDMOE-UHFFFAOYSA-N 350.443 4.486 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1nc2c(s1)Cc1ccccc1-2 4224098 SCZMCFZYZNDUIS-UHFFFAOYSA-N 356.834 4.385 0 40 FIAB CCc1cccc2c(CCNC(=O)COc3ccc(F)cc3F)c(C)[nH]c12 4452107 YZYDSXGJSSYZJX-UHFFFAOYSA-N 372.415 4.055 0 40 FIAB biogenic,in-vitro CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)O)cc1 4526238 CMISTICVTDKDLI-ATVHPVEESA-N 357.837 4.493 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 4723339 AOVDUFNTPADMJX-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB Cc1ccc2c(c1)[C@@H](O)C[C@H](C)N2C(=O)c1ccc(Br)cc1 4742630 SDEWODWVTXANBO-SJCJKPOMSA-N 360.251 4.230 0 40 FIAB CC[C@H]1CO[C@](O)(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 4792085 SZEDYAYEVMUROK-OKZBNKHCSA-N 352.261 4.278 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4943203 SKVCGCRTDZBSKX-UHFFFAOYSA-N 362.260 4.370 0 40 FIAB COc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 5137308 YDWRNQJVLGQDRY-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12 5400313 ZNTQPJWFPLBKNR-HNNXBMFYSA-N 372.424 4.434 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Sc3ccccc3)CC2)c1C 5635846 ARWZXJCSTAETEO-GOSISDBHSA-N 354.519 4.133 0 40 FIAB COc1ccc([C@@H]2C=C(C(=O)O)c3c(ccc4ccccc34)N2)cc1OC 5738786 SLFYTKXTUDRPQI-SFHVURJKSA-N 361.397 4.492 0 40 FIAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5860908 XZXLZXHFZZARQE-JTQLQIEISA-N 357.353 4.259 0 40 FIAB CCC(CC)c1nnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 6050689 CCJHQVBMHLBGON-UHFFFAOYSA-N 373.400 4.478 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2C1 6606637 UQFWAXRTFCCCSK-BBRMVZONSA-N 372.490 4.078 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6657947 XUJMLHQJWWCENM-UHFFFAOYSA-N 360.417 4.406 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Oc2cc3c(C)cc(=O)oc3cc2C)cc1 6923105 TXWIMNKFEIRVKY-HNNXBMFYSA-N 351.402 4.124 0 40 FIAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1ccccc1OC(F)F 7059044 XNZQRGCUYOGUCJ-JTQLQIEISA-N 363.389 4.284 0 40 FIAB COc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c1OC 7266568 GNEAFCZSRLUIKR-INIZCTEOSA-N 370.493 4.286 0 40 FIAB Cc1cccc2sc(NC(=O)[C@H](NC(=O)c3cccs3)C(C)C)nc12 7279276 APIPCISENZPUCD-CQSZACIVSA-N 373.503 4.059 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1ccccc1CN1CCCCC1 7850427 QHWVCLODEJBPTO-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 8117941 ASYGDISAVNMXTD-UHFFFAOYSA-N 372.222 4.100 0 40 FIAB CCc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 8281358 SWPBCQCHNMTUKL-UHFFFAOYSA-N 362.458 4.361 0 40 FIAB COc1cc(OC)c(OC)cc1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 8534849 KCNQAGHWWSNYLQ-XSXQVXRUSA-N 359.510 4.407 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)cc3)cc21 8959512 PMIQLQRCLQHSJS-UHFFFAOYSA-N 352.434 4.019 0 40 FIAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc(F)c3)sc2c1 9140762 GUZLSBCVEHOYNC-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB COc1cc(C=O)ccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl 9235630 LKTRVDKTHPHLBF-SNVBAGLBSA-N 368.216 4.221 0 40 FIAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(c1cccnc1)C3 9423077 BOQMEHIGZKIJJS-UHFFFAOYSA-N 368.820 4.077 0 40 FIAB CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 9533395 VSVWAOKNIADMLI-HNNXBMFYSA-N 362.429 4.054 0 40 FIAB CCc1ccc2c(CC(=O)NC[C@H](c3ccco3)N3CCCC3)coc2c1 10022750 UDYFAKYFIRLMAQ-LJQANCHMSA-N 366.461 4.084 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 11516353 TZOSOBXNAXUKKK-UHFFFAOYSA-N 363.369 4.469 0 40 FIAB CC(C)C(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 12390261 HOMTVTBLAKPFAI-SFHVURJKSA-N 350.447 4.025 0 40 FIAB Cc1ccc(-n2nnc(C(=O)OCc3ccc(F)cc3)c2C)cc1Cl 12415583 BVXAPXDUVMUWEE-UHFFFAOYSA-N 359.788 4.034 0 40 FIAB COc1cc(C(=O)OCc2cc(-c3ccccc3)no2)cc(Cl)c1OC 12774844 ONNBHDXBOSXVPM-UHFFFAOYSA-N 373.792 4.369 0 40 FIAB C[C@H](OC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)s1)C(N)=O 12868971 ZQOSEPXFAQBQTD-ZDUSSCGKSA-N 351.427 4.113 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1F 12926171 TYJJFAUKELSCSU-UHFFFAOYSA-N 352.247 4.287 0 40 FIAB Cc1cc(C)cc(OCCN(C)Cc2cc(=O)oc3cc(C)ccc23)c1 12939229 LANHHTSELMGFFM-UHFFFAOYSA-N 351.446 4.229 0 40 FIAB Cc1cc(CSc2ncc(-c3ccc(Br)cc3)[nH]2)no1 17269330 OWRNBSYJOGUKJU-UHFFFAOYSA-N 350.241 4.428 0 40 FIAB CCCc1cc(N2C[C@@H](C)C[C@@H](C)C2)n2nc3nc(C)cc(C)c3c2n1 18009547 XZGSBAUJSNZNEN-OKILXGFUSA-N 351.498 4.329 0 40 FIAB Clc1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 19341468 WCJZRIASCNJHFF-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)Cn1cccc2cc(C(F)F)nc1-2 19455810 BHTXHHMHCSWUOB-CQSZACIVSA-N 357.404 4.063 0 40 FIAB CCc1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cn1 19523475 NNYLJVOJAMVVOP-WAGURGNTSA-N 351.494 4.110 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(OC)c1)c1ccc(OC)cc1 20049524 QVZRELUWXGJHTK-VQTJNVASSA-N 357.450 4.129 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20454076 IWFSIEOFDCYUJF-DLBZAZTESA-N 371.477 4.274 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 20456279 VOFQXWCKZWLQPU-OAHLLOKOSA-N 355.434 4.393 0 40 FIAB CCOc1cccc(CNCCN(CC)CC)c1OCc1ccccc1 22076901 GEWCRQSFOBSRJH-UHFFFAOYSA-N 356.510 4.096 0 40 FIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCCc1ccccc1 22237651 STDSISRKAMHLJB-UHFFFAOYSA-N 351.475 4.192 0 40 FIAB COc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Cl 22540748 UMUPRHXZUKUVSO-CQSZACIVSA-N 374.868 4.090 0 40 FIAB Cc1oc2cc(OC(=O)C3CCOCC3)ccc2c(=O)c1-c1ccccc1 24645135 QOUMNCBRNQZKHL-UHFFFAOYSA-N 364.397 4.100 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 24759763 LLKLJTSFRQDGTC-CYBMUJFWSA-N 362.882 4.201 0 40 FIAB CC[C@H](C)n1c(SCc2nc(C(C)C)no2)nc2ccccc2c1=O 24837936 NWGJQDKCHRZTLK-LBPRGKRZSA-N 358.467 4.166 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)nc1)C1c2ccccc2Oc2ccccc21 28093308 LUVVCXNYGGZTBT-UHFFFAOYSA-N 368.396 4.144 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1cccc2ccccc12 28434160 DWYQFTQVFSRDKH-DNVCBOLYSA-N 368.477 4.417 0 40 FIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2cccc(C)c2)cc1 38753120 USVFMYLSOXYGQA-HXUWFJFHSA-N 361.507 4.210 0 40 FIAB Cc1nc2cc(N[C@H](C)C(=O)N[C@@H](C)CCc3ccccc3)ccc2o1 39975596 NDJMQYBJHXFGQS-LSDHHAIUSA-N 351.450 4.074 0 40 FIAB CC(C)C(=O)Nc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1 40104017 CEFQEPIQDAZRFJ-UHFFFAOYSA-N 359.857 4.299 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)Nc1cccc(NC(=O)C2CC2)c1 44103406 DKCJMINCZCVWGA-UHFFFAOYSA-N 357.841 4.053 0 40 FIAB Fc1ccccc1CN(Cc1cccnc1)Cc1cccc2nccnc12 57796882 ZUDUHKRLCJHFLW-UHFFFAOYSA-N 358.420 4.366 0 40 FIAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N(CC(F)(F)F)C1CC1 71823924 QESOFTDVMLYISU-UHFFFAOYSA-N 355.381 4.069 0 40 FIAB CC[C@H](c1ccc(F)cc1F)N1CCC[C@H](C(=O)Nc2ncccc2C)C1 72308212 TYCPLHFIRBFYMR-HNAYVOBHSA-N 373.447 4.470 0 40 FIAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 77200118 ZOORNZZERQEHOT-CVEARBPZSA-N 374.387 4.255 0 40 FIAB Cc1nn(C)c2ncc(NC(=O)N3CCCCC[C@@H]3c3ccccc3)cc12 77675468 YSEHISZLOJBFMZ-LJQANCHMSA-N 363.465 4.426 0 40 FIAB COc1ccc(NC(=O)[C@@H]2CCCN2Cc2cccc3ccccc23)cc1 78597128 AOAWCXWGEQTIDE-QFIPXVFZSA-N 360.457 4.452 0 40 FIAB Cc1cccc(S[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)c1 84213130 JULURZHQLLCYLJ-SFHVURJKSA-N 357.450 4.448 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccc(C)cc2)c1[C@H]1C(=O)Nc2ccccc21 96731461 AMTVLFQBDWJTTO-SFHVURJKSA-N 360.413 4.169 0 40 FIAB c1cncc(-c2nnc(Sc3ccnc(C4CCCC4)n3)n2C2CC2)c1 97372940 DKQXLUAZHPWJOL-UHFFFAOYSA-N 364.478 4.274 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2cc(C)cc(C)c2C)cc1 218968814 VPWVAZLGVBIKGL-UHFFFAOYSA-N 355.478 4.138 0 40 FIAB CCc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1OC 222998577 UDYHZGLYGKPJPL-OAHLLOKOSA-N 373.518 4.176 0 40 FIAB Cc1ccc(CNC(=S)Nc2ncc(Br)c(C)c2Cl)o1 223905174 SZIGVQHZLFRCLG-UHFFFAOYSA-N 374.691 4.194 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 224176371 ATXRBLYMRIOUCK-UHFFFAOYSA-N 372.877 4.268 0 40 FIAB CCCOCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OC 224416190 ALEIXQAOUPAVLU-UHFFFAOYSA-N 371.433 4.051 0 40 FIAB Cn1c(/C=C2/SCCN2C(=O)CCc2ccccc2)nc2ccccc21 225237666 UQGICRAQRGOXLQ-RCCKNPSSSA-N 363.486 4.080 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC1CCCCC1 225617830 UPCRCVMUSNDGNJ-QGZVFWFLSA-N 359.510 4.188 0 40 FIAB COC(=O)c1cn(C(=O)Cc2ccc(Br)cc2)c2ccccc12 226366178 CCIAHEVNEWZRRJ-UHFFFAOYSA-N 372.218 4.073 0 40 FIAB C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccc(Cl)s1 245020854 MKLFHRGOHPVSGG-SNVBAGLBSA-N 355.868 4.057 0 40 FIAB COc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)C)cc3n2)cc1Cl 408622660 QIIPQLKRGGUWKH-UHFFFAOYSA-N 372.856 4.376 0 40 FIAB CC1=CSC2=NC(C)=C(C(N)=O)[C@H](c3cccc(Cl)c3Cl)N12 408991945 RQBRGYFDYLYUDU-ZDUSSCGKSA-N 354.262 4.074 0 40 FIAB CNC(=O)c1cc(Oc2cccc(N[C@@H](C)C3CC(F)(F)C3)c2)ccn1 529580029 QVPOBYSTQMKPIE-LBPRGKRZSA-N 361.392 4.079 0 40 FIAB CCc1ccc([C@H](C)CC(=O)NC2(c3noc(C)n3)CCCCC2)cc1 606166783 MYVNFKQUHQNGMX-OAHLLOKOSA-N 355.482 4.410 0 40 FIAB C[C@@H]1C[C@H](NC(=O)N[C@@H](c2ccccc2)[C@H]2CCCc3ccccc32)CO1 1230722323 FGHHLQHNBORZEV-XEHJXZTKSA-N 364.489 4.324 0 40 FIAB C[C@@H](NC(=O)[C@]1(C)COc2ccccc2O1)c1ccc(F)c2ccccc12 1544964358 UWPZOFWYDZDIKI-PEBXRYMYSA-N 365.404 4.386 0 40 FIAB COC(=O)[C@H](C)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236784 ZYJJAOGCMCGXMR-NSHDSACASA-N 358.777 4.054 0 40 FIAB biogenic CCOc1ccccc1NC(=S)N1CCN(c2cccc(C)c2C)CC1 1325639 GREPTUNHMTUGCM-UHFFFAOYSA-N 369.534 4.221 0 40 FIAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359651 ZTOCFKCOKXTBRC-UHFFFAOYSA-N 366.436 4.223 0 40 FIAB O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1ccc(Cl)c(Cl)c1 2310516 XTYVIHBWMOVESC-LBPRGKRZSA-N 352.217 4.266 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 2564604 VQHQLBARMFAKSV-AANPDWTMSA-N 356.462 4.400 0 40 FIAB biogenic,in-vitro CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)cc1 2703750 ARBFEPSDUWDGOP-IBGZPJMESA-N 363.413 4.147 0 40 FIAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1 2713289 CELMMUNUTYNDCK-UHFFFAOYSA-N 374.803 4.019 0 40 FIAB CCn1ncc(CN(C)C(=O)C2c3ccccc3Oc3ccccc32)c1C 2765917 QWWRNUJBGIWANH-UHFFFAOYSA-N 361.445 4.108 0 40 FIAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccccc1 3495672 IDBSFODAMSNVAH-LLVKDONJSA-N 354.460 4.063 0 40 FIAB Cc1cccc(CSC2=NCCN2C(=O)Cc2ccc(Cl)cc2)c1 4120236 NVMXXGITMVJSNY-UHFFFAOYSA-N 358.894 4.323 0 40 FIAB COc1ccc2nc(Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)sc2c1 4137740 ABTPUPYCOVCATK-VIFPVBQESA-N 373.503 4.334 0 40 FIAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1C 4679192 WZBPYGCLLPDJPR-LICLKQGHSA-N 357.406 4.379 0 40 FIAB COc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1 4936798 IRWRHUHBMVKJBD-UHFFFAOYSA-N 369.420 4.289 0 40 FIAB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)C)cc2)s1 5150029 IYESYJYPWHXIJI-UHFFFAOYSA-N 373.474 4.325 0 40 FIAB COC(=O)c1c(NC(=O)Cc2ccc(C)cc2C)sc2c1CCCC2 5268054 AYPNSXMFUCWYHN-UHFFFAOYSA-N 357.475 4.212 0 40 FIAB Cc1cc(=O)oc2cc(OCc3nc(-c4ccccc4)no3)c(Cl)cc12 5498080 YNQSMDDXVREWDH-UHFFFAOYSA-N 368.776 4.384 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)O 5564654 RHGCCTDOGPUFRI-ZGXWSNOMSA-N 350.414 4.004 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 6384167 LTFJTDSRYGHPNG-UHFFFAOYSA-N 350.418 4.016 0 40 FIAB CC(=O)c1cccc(OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1 6589926 GPYGVUSEZKBZCE-UHFFFAOYSA-N 353.340 4.132 0 40 FIAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1 6650468 VGXDAIJFFGPGLJ-UHFFFAOYSA-N 357.413 4.072 0 40 FIAB Cc1ccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1 6814266 NVVDLCTTXINMPE-SFQUDFHCSA-N 361.426 4.092 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(I)cc2C)c(C)c1 6922376 BYEOFYMJBJRLKX-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB CCCOc1ccccc1NS(=O)(=O)c1ccccc1Br 7052829 BBXWIHXXIURBSI-UHFFFAOYSA-N 370.268 4.039 0 40 FIAB CCN(CC)C(=O)[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 7149495 RPLLZPCDQHZQDW-KRWDZBQOSA-N 366.490 4.174 0 40 FIAB CCCc1nnc(S/C(=C\c2cc(Cl)ccc2OCC)C(=O)O)[nH]1 7342326 JPFMEEJCLOKKKP-LCYFTJDESA-N 367.858 4.027 0 40 FIAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(C)C 7886234 YELZVQICRQWQQI-FQEVSTJZSA-N 352.434 4.211 0 40 FIAB CCN1C(=O)/C(=C\c2cccn2CC)S/C1=N/c1ccc(OC)cc1 8091009 MTZMRLZMGUIUTL-SXXHPKIYSA-N 355.463 4.141 0 40 FIAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)ccc1F 8106166 KBTWCUPIFPUSCW-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB COC(=O)Cc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1 8325969 QQCLSFTYHYZFKH-UHFFFAOYSA-N 362.307 4.156 0 40 FIAB COc1ccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)cc1OC 8328369 CIPVERSWGGMUAS-AWEZNQCLSA-N 371.462 4.152 0 40 FIAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 8392362 ZXERMTFIGPNRFH-ZDUSSCGKSA-N 371.437 4.139 0 40 FIAB Cc1cc(NC(=O)[C@@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)no1 8707331 WZFNHATVXPLTLI-IBGZPJMESA-N 362.389 4.225 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 9112555 CCGIWGZCXYKNFA-INIZCTEOSA-N 356.491 4.423 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(Cl)c2c(c1)OCO2 9882568 QMZXAWLOFKNMFU-UHFFFAOYSA-N 373.792 4.363 0 40 FIAB Cc1cccc(C)c1OCc1nn2c(-c3cccc(F)c3)nnc2s1 10311606 UTGAFZPIYQTOFZ-UHFFFAOYSA-N 354.410 4.188 0 40 FIAB O=C(c1cc(Cl)ccc1F)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546408 KWZRZKPOQGIVHQ-GFCCVEGCSA-N 357.816 4.375 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(F)c(F)c2F)c2c1[C@@H](C)CC2=O 11052507 ZGOUYLXGLQITAL-JTQLQIEISA-N 363.335 4.120 0 40 FIAB COc1ccccc1CNC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 12228759 JQZYUBCJRAGZRD-UHFFFAOYSA-N 373.412 4.137 0 40 FIAB COc1cc(C(=O)Nc2cc(Cl)cc3cccnc23)cc(OC)c1OC 12909146 NRSGXBNXZZGXSE-UHFFFAOYSA-N 372.808 4.166 0 40 FIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(O)c(CCCl)c1 13002520 VECSZURUELMLQU-SOFGYWHQSA-N 352.821 4.255 0 40 FIAB COc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 13154340 NIXANVSFKYDSKY-KJAHXBPPSA-N 354.277 4.490 0 40 FIAB CC(C)n1cnn(CN2CCC(c3nc4ccccc4s3)CC2)c1=S 14159046 NPIZIHWFVNXHJO-UHFFFAOYSA-N 373.551 4.442 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1cnccn1 14709234 LDAFLBSXJUAGNF-UHFFFAOYSA-N 365.343 4.141 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCCC3)cc1 16594603 XUWVBXZFSULQMQ-UHFFFAOYSA-N 356.491 4.036 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 18241499 DUQBPGCVBGLBFQ-OALUTQOASA-N 374.440 4.011 0 40 FIAB Cc1cccc(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1C 19911229 LGNTXCGZHDSCGX-UHFFFAOYSA-N 372.375 4.046 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20143909 KZGQYHSQQVVLJF-UHFFFAOYSA-N 351.402 4.019 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 20483807 DIKMAUBGELNROL-UHFFFAOYSA-N 374.481 4.226 0 40 FIAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 20899440 TYWTVWPKHOBHQV-UHFFFAOYSA-N 351.406 4.395 0 40 FIAB O=C(NCC1CCN(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 23014666 XWDDCRVMEWFNBE-UHFFFAOYSA-N 366.549 4.231 0 40 FIAB CCCCCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1 25514296 FALYKXCKSBMATF-SFHVURJKSA-N 354.450 4.256 0 40 FIAB COc1ccc([C@@H](CNC(=O)Nc2ccccc2Cl)N2CCCC2)cc1 28247786 ZWKYBEYAVNJUMB-LJQANCHMSA-N 373.884 4.307 0 40 FIAB CSc1ccc(CN(C)C(=O)c2cc(Br)ccc2O)cc1 28812916 AAWCHSOGNKOWQY-UHFFFAOYSA-N 366.280 4.149 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)s1 32718987 FILIHHFAIFBIMM-ZDUSSCGKSA-N 364.517 4.192 0 40 FIAB CCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)cc1 32766799 RNLDSHXKPBWNCI-MRXNPFEDSA-N 355.434 4.440 0 40 FIAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)cc1F 32817228 DANIZUTYXWCFLF-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB COc1ccc(-n2nc(C)c3sc([C@H]4CCC[C@H](C(=O)O)C4)nc32)cc1 32918834 IXVBQRMTQVQOBH-STQMWFEESA-N 371.462 4.157 0 40 FIAB CC1=Nc2c(NC(=O)c3ccccc3)c(Nc3ccc(C)cc3)nn2C(=O)C1 35671241 MLKCCSMVXPRRSJ-UHFFFAOYSA-N 373.416 4.324 0 40 FIAB Fc1ccc(OCc2noc(-c3cccs3)n2)c(Br)c1 40012647 FGMPMVOKTKMLIQ-UHFFFAOYSA-N 355.188 4.279 0 40 FIAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 40087154 OZOTVSXUNGIQRD-UHFFFAOYSA-N 362.458 4.437 0 40 FIAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCCc1ccncc1 44225890 WQRAIEHUZWTAIN-UHFFFAOYSA-N 364.420 4.305 0 40 FIAB Cc1cc(NC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)no1 56328198 RIJDBWRPGHLYHM-UHFFFAOYSA-N 361.295 4.044 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 59488474 LLHQINGLPWEWED-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 59498036 BCPZUFIWJGVZIE-UHFFFAOYSA-N 352.478 4.362 0 40 FIAB CCc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(C(C)C)cc2)cc1 67283483 QDSOAFUUWWZMFX-UHFFFAOYSA-N 363.465 4.164 0 40 FIAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Cl)c2ccccc2c1O 72311912 KSUDCGLMZAULBB-UHFFFAOYSA-N 364.792 4.236 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72357795 QMNFLXDQIRRUFK-OAQYLSRUSA-N 361.420 4.184 0 40 FIAB COc1cccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)c1 72389931 XWZZSHVRFONJHP-UHFFFAOYSA-N 355.463 4.186 0 40 FIAB C[C@@H]1C[C@@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CCN1C 76021762 UEEMZVARDQTTSH-HIFRSBDPSA-N 373.324 4.094 0 40 FIAB Nc1cc(-c2ccc(Cl)cc2)nn1CCOC(=O)C1CCCCCC1 84419393 LBBSXDIRWKRQRK-UHFFFAOYSA-N 361.873 4.299 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CC(=O)O)c1ccc(F)cc12 91302755 AWICMJBHPMLOFP-CYBMUJFWSA-N 363.429 4.056 0 40 FIAB in-vitro CCCCn1cc([C@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 100770599 XRRHRAJVEMBJEL-GOSISDBHSA-N 362.429 4.194 0 40 FIAB biogenic COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 216266485 YSNJWNXJPUNVJZ-LJQANCHMSA-N 365.470 4.041 0 40 FIAB COc1cc(CNC(=O)CCSCc2ccccc2)ccc1OC(C)C 218993976 WILPANTVGJXKOA-UHFFFAOYSA-N 373.518 4.422 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CCSc3ccccc3)ccc21 225076631 GQWWBWZBHNDXQM-UHFFFAOYSA-N 358.488 4.204 0 40 FIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225688400 UHPRGSIRMYUIDS-NRFANRHFSA-N 364.530 4.187 0 40 FIAB Cc1cccnc1Nc1cncc(C2CCN(C[C@@H]3CC=CCC3)CC2)n1 257259345 KXWKYRWMHLJMQX-GOSISDBHSA-N 363.509 4.459 0 40 FIAB Cc1cnc(-c2cccc(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)s1 257267831 MIYDNLSHNVBZGB-AWEZNQCLSA-N 359.495 4.313 0 40 FIAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cc(=O)c2ccccc2o1 390826089 BFWQHAAAJBMJSZ-GOSISDBHSA-N 367.451 4.435 0 40 FIAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(O)c1 408585126 AQLUECDRKOKOFG-UHFFFAOYSA-N 350.212 4.196 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1Cl 408703398 QUZZMVYBZGWQDC-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB Cc1nc(CC2CC2)oc1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 514206237 MLCZRKCQJHVUHI-CYBMUJFWSA-N 356.388 4.130 0 40 FIAB COc1ncccc1NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1 524733986 KLNYIXBIPLBRNG-KRWDZBQOSA-N 355.825 4.163 0 40 FIAB CCc1cnc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)s1 565820094 PYTJJUKAFXUCGS-INIZCTEOSA-N 369.494 4.019 0 40 FIAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCCCC[C@@H]1c1ccco1 605645841 PWMSQGDSOZEIHU-GOSISDBHSA-N 366.465 4.016 0 40 FIAB CC(C)(C)NC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889962593 KBQIPMOOJBZWLW-UHFFFAOYSA-N 352.482 4.195 0 40 FIAB COC(=O)C[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1 2036469 BQCIDEOEABMJOF-OAHLLOKOSA-N 361.235 4.369 0 40 FIAB COc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1 2394389 GGZIUOCPEYNTJD-UHFFFAOYSA-N 364.493 4.143 0 40 FIAB CCN(Cc1ccccc1)C1CCN(Cc2cccc(OC)c2OC)CC1 4553794 AMFZOWBHJQOTBS-UHFFFAOYSA-N 368.521 4.190 0 40 FIAB O=C(Nc1ccccc1)Nc1nnc(SCC(=O)c2ccccc2)s1 4851588 DEIZZXAKKASDGE-UHFFFAOYSA-N 370.459 4.157 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)o2)cc1 4934390 VEAHVTMEXMOLGO-AWEZNQCLSA-N 353.447 4.088 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc23)o1 5094519 GFMBVMLCVXYHGG-UHFFFAOYSA-N 357.413 4.470 0 40 FIAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(Cl)c3Cl)n2)cc1 5483016 QGFWNJRHNIDFOF-UHFFFAOYSA-N 374.227 4.100 0 40 FIAB COc1ccc(OCC(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 5578431 NBVJYZGZZXMMRB-UHFFFAOYSA-N 364.426 4.476 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 5697872 DPDNLBJANVTWDX-UHFFFAOYSA-N 361.825 4.231 0 40 FIAB Cc1cc(NC(=O)COc2cc3sc(C)nc3c3sccc23)no1 5936841 DEUWXIZLVURAQA-UHFFFAOYSA-N 359.432 4.133 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2cccc(I)c2)cc1 6284863 CTRZOFHKMPCZCW-MDZDMXLPSA-N 363.198 4.252 0 40 FIAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1csc(C)n1 7088133 OGZMKCUOCNJKKS-GOSISDBHSA-N 351.431 4.231 0 40 FIAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1ccc(F)cc1 7161906 YWOVERQJYXPBKL-JTQLQIEISA-N 363.439 4.246 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1C[C@H](C)C[C@@H](C)C1 7718723 FWOSHMYRARXRPU-ZIAGYGMSSA-N 359.901 4.320 0 40 FIAB COc1ccc2c(CNc3ccc4nc(C)sc4c3)cc(=O)oc2c1 7813627 XLNFOIPERQSEMS-UHFFFAOYSA-N 352.415 4.332 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8087815 TYMLEDHXIVEQAS-IBGZPJMESA-N 364.489 4.420 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 8283864 PFLLYOPQKZXDTP-OXQOHEQNSA-N 363.461 4.222 0 40 FIAB CCOc1c(Br)cc(Br)cc1CN[C@H](C)CC 8325920 RHWAWKJXXJZHDP-SECBINFHSA-N 365.109 4.498 0 40 FIAB O=S(=O)(Nc1nc2c(Cl)cccc2s1)c1ccc(Cl)cc1 8864658 ZDQVGVQKVDXSCL-UHFFFAOYSA-N 359.259 4.404 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C 10473096 PUUMVNPRNKVGEK-IBGZPJMESA-N 368.477 4.321 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(NC2CCCCC2)s1 12618654 PHUDFVPBVZEDLO-BETUJISGSA-N 368.572 4.164 0 40 FIAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(Cl)c(Cl)c1 13331280 MJLYYPLIDJGNGC-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1coc2c(C)c(C)ccc12 14023383 BTCNSQPWJPSXOD-UHFFFAOYSA-N 366.417 4.198 0 40 FIAB COc1ccccc1-c1noc(COc2ccc(Cl)cc2C(C)=O)n1 14112577 UJSVACSIXAIMRI-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cccs1 14258410 HYFBDVCEZABOAE-UHFFFAOYSA-N 358.444 4.323 0 40 FIAB CN1CCc2nc3sc4c(S)ncnc4c3c(-c3ccccc3)c2C1 17155243 LPQMGZHXPKSYJN-UHFFFAOYSA-N 364.499 4.183 0 40 FIAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[C@H]2CCCC[C@@H]2C1 19405575 RESBUGNCGFBAKO-SJLPKXTDSA-N 372.472 4.344 0 40 FIAB Cc1nc([C@H](Cc2ccsc2)NC(=O)C[C@H](C)n2ccnc2)sc1C 19559714 LYVGZHDMILAXNS-LRDDRELGSA-N 374.535 4.069 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 20050994 GXGPMVUKXMONNN-UHFFFAOYSA-N 365.477 4.129 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20141450 UYDGENGCVZFTLX-UHFFFAOYSA-N 351.402 4.398 0 40 FIAB Cc1cccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)c1C 21170902 MXGRPAPUIFQKMH-NRFANRHFSA-N 372.553 4.329 0 40 FIAB C[C@@H](NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1)c1cccs1 22746782 XCCDTWSYBCKYOW-WLYUNCDWSA-N 351.512 4.321 0 40 FIAB Cc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1C 22857479 ABVQUDZUXBXXQN-UHFFFAOYSA-N 366.513 4.213 0 40 FIAB Cc1ccccc1-c1noc(CS(=O)(=O)c2ccc(CC(C)C)cc2)n1 23126281 KCFOYZGNGBUMLG-UHFFFAOYSA-N 370.474 4.217 0 40 FIAB C[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1CCCO1 27858827 YNELBYKBRYSYCS-BXUZGUMPSA-N 353.340 4.263 0 40 FIAB COc1ccc(CC(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 27922077 RLWMDCKTFUTKID-UHFFFAOYSA-N 363.461 4.046 0 40 FIAB Cc1ccc(-c2cc(C(=O)N[C@H](c3ccccc3)c3ccccn3)n[nH]2)s1 29860640 SLRJTSRVIMIXAK-HXUWFJFHSA-N 374.469 4.361 0 40 FIAB Cc1cccn2cc(COc3ccccc3C(=O)N3CCC(C)CC3)nc12 29871768 VCSPQBJLTWDXET-UHFFFAOYSA-N 363.461 4.094 0 40 FIAB CCN(CC)[C@H]1Oc2cc3c(cc2[C@@H](c2ccc(OC)cc2)[C@@H]1C)OCO3 31861130 WWDZZJZRKOMCFQ-CUJSYCCXSA-N 369.461 4.252 0 40 FIAB CCCCOc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)cc1 32926391 URURWJZUSOBJSE-UHFFFAOYSA-N 350.418 4.451 0 40 FIAB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(Cl)cc3)n2)cn1 35426096 PRAIPQDOHVUBLE-INIZCTEOSA-N 369.856 4.164 0 40 FIAB biogenic,in-vitro CCNC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1 36393117 CEWOUBBCMYLHEG-UHFFFAOYSA-N 367.232 4.004 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 36694851 LECSGFRWIKIIEC-MRXNPFEDSA-N 364.489 4.082 0 40 FIAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2nc3ccccc3s2)C1 40141395 FCIAEOKDTCTLRE-LBPRGKRZSA-N 372.881 4.200 0 40 FIAB FC(F)Oc1ccc(-c2nnc(Sc3cnc4ccccc4n3)o2)cc1 41872892 IHNNIVZBEGKXTM-UHFFFAOYSA-N 372.356 4.432 0 40 FIAB Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1c(F)cccc1Cl)C1CC1 41999883 DSEGJFWTPRAODT-MDZDMXLPSA-N 361.848 4.034 0 40 FIAB Cc1nccc(-c2cccc(NCC(=O)N[C@@H]3CCCc4ccccc43)c2)n1 42120932 ZHHKOJUQNYLBSX-JOCHJYFZSA-N 372.472 4.058 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc3oc(C)nc3c2)cc1 48365897 XOBDUJJIOGYVSN-LLVKDONJSA-N 369.446 4.214 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(CNCc3csc(C)n3)c2)cc1 48779261 BKRGCVZKTZVFAQ-UHFFFAOYSA-N 351.475 4.302 0 40 FIAB Cc1ccccc1C(=O)OCc1nc(-c2ccc(Br)cc2)no1 51315171 RFIHVRVMAPDCFA-UHFFFAOYSA-N 373.206 4.165 0 40 FIAB CCOc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364460 YTMIPSBAKGMMEW-KRWDZBQOSA-N 374.440 4.244 0 40 FIAB CN(Cc1ccsc1)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 57392263 ICMSZODWMKYOPY-UHFFFAOYSA-N 367.499 4.345 0 40 FIAB CCCN(C(=O)CSc1ccc(C)cc1)[C@@H](C)C(=O)Nc1ccccc1 58137818 DUVYEKMFLXUPDE-KRWDZBQOSA-N 370.518 4.353 0 40 FIAB CCN(CC)Cc1cccc(NC(=O)Cc2ccccc2OC(C)C)c1 60300049 ZDJBADSZJZFKBA-UHFFFAOYSA-N 354.494 4.497 0 40 FIAB O=C(CCc1cccc(Cl)c1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 62269089 QOGDRHQIRWJZHZ-MRXNPFEDSA-N 357.837 4.017 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C=O)C1CCCC1 72215655 BMYCPYOPCMGEHN-GOSISDBHSA-N 373.497 4.449 0 40 FIAB Cc1cc(Br)ncc1NC(=O)C(C)(C)Oc1ccc(F)cc1 72307931 ADUQJCGBSQPXKN-UHFFFAOYSA-N 367.218 4.088 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1ccccn1)SCC(O)=N2 79483249 QHGSBQUWRVYCSK-GOSISDBHSA-N 366.446 4.116 0 40 FIAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2ccccc2c1 80345109 MNJYWJSPVKEQBA-MRXNPFEDSA-N 358.463 4.088 0 40 FIAB CCc1onc(C)c1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 89393259 QDSLWELLAOLKKR-NRFANRHFSA-N 361.445 4.288 0 40 FIAB O=C(c1ccnc(OC2CCCCC2)c1)N1CCC(C(F)(F)F)CC1 92944656 TZJWWZQTOLNFDU-UHFFFAOYSA-N 356.388 4.208 0 40 FIAB CN(Cc1ccccc1C(F)(F)F)C(=O)COc1cccc2cccnc12 95947858 XEYAXWJTIXUKGD-UHFFFAOYSA-N 374.362 4.291 0 40 FIAB COC1CCN(c2ccc(NC(=O)CCc3ccc(F)c(C)c3)cc2)CC1 96104487 YACMOLGINZFYRA-UHFFFAOYSA-N 370.468 4.321 0 40 FIAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 96182980 GXPYTOXXKSAVIL-UHFFFAOYSA-N 372.490 4.231 0 40 FIAB CC(C)N1CCOC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 96243959 COMSWUVRGPNOFV-UHFFFAOYSA-N 370.518 4.125 0 40 FIAB Cc1cc(C)nc(-n2nc(C)c(Cc3ccc(C(C)(C)C)cc3)c2O)n1 100129953 XQSQCRLMBRRHMR-UHFFFAOYSA-N 350.466 4.181 0 40 FIAB COc1ccc2c(c1)N(C)/C(=C1/SC(=O)N(c3ccccc3)C1=O)S2 100500475 FUJWEBAVBVGOAZ-ICFOKQHNSA-N 370.455 4.306 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)CCc2ccc3c(c2)OCO3)cc1 222652542 GEGUTIPRHUIWRW-LJQANCHMSA-N 369.461 4.260 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)[nH]1 223371909 NYTVJLFFJMCZRZ-PMACEKPBSA-N 362.502 4.199 0 40 FIAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416475 SSAKRNRGFWRXCC-LJQANCHMSA-N 372.896 4.202 0 40 FIAB O=C(CCc1ccccc1F)NCc1cccc(CN2CCCCC2)c1 224700489 HAWZBRPZGNAAFV-UHFFFAOYSA-N 354.469 4.061 0 40 FIAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC1CCCCC1 225128289 ZAKNHOHJXCFWKK-HXUWFJFHSA-N 358.526 4.351 0 40 FIAB Cc1cc(C)c(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 225653098 VSZYDPKXTNJOMW-UHFFFAOYSA-N 355.825 4.245 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(-n3cccc3)cc2)CC1 226245568 GPGFYVVKYIVSHA-UHFFFAOYSA-N 365.864 4.093 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=O)C(F)(F)F)cc1Br 226275824 DAXZLVREHUMFIS-VIFPVBQESA-N 365.193 4.329 0 40 FIAB COc1ccc(CN(Cc2cccnc2)C(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)cc1 247867225 BGAJTNMGXOAOJA-BAGYTPMASA-N 374.484 4.221 0 40 FIAB O=C(NCc1ccc(-c2n[nH]cc2-c2ccncc2)cc1)[C@@H]1CC=CCC1 257328925 XHQMJWXKNILMHN-LJQANCHMSA-N 358.445 4.111 0 40 FIAB CC(=O)N1CCCCCCCN(CC(=O)OC(C)(C)C)Cc2ccccc21 643574361 RXUZIXRQRSMNIK-UHFFFAOYSA-N 374.525 4.147 0 40 FIAB CC(=O)NCc1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1 726976462 SIQRDOMWRLCQOP-UHFFFAOYSA-N 358.854 4.238 0 40 FIAB Cc1ccc(C2=C[C@H](c3ccc(Br)cc3)NC(=S)N2)cc1 1775966959 WOZFGMKMWWBRJI-MRXNPFEDSA-N 359.292 4.317 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 629916 LTJZNQNOHMITLH-UHFFFAOYSA-N 357.413 4.191 0 40 FIAB Cc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 850624 NELPGCQOCUCAGB-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 1008656 LANVUXPDLOQIJX-ZROIWOOFSA-N 372.471 4.040 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)c1C 1087738 GIHXOKABUZJKSH-QGZVFWFLSA-N 350.462 4.418 0 40 FIAB CCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc12 2420245 BTWDLSKMCDSUKA-UHFFFAOYSA-N 374.444 4.285 0 40 FIAB C=C1c2cc3c(cc2NC(=S)N1c1ccc(OC(F)F)cc1)OCO3 3330679 OUZMJJZTHYPXCU-UHFFFAOYSA-N 362.357 4.204 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(C)c1 3423650 SCRKDSXHKCKWMJ-KRWDZBQOSA-N 370.880 4.448 0 40 FIAB O=C(COC(=O)c1ccc(Cl)nc1)c1ccc(-c2ccccc2)cc1 3466624 VCDZSUHUGJHRQI-UHFFFAOYSA-N 351.789 4.442 0 40 FIAB O=C(COc1ncnc2ccccc12)Nc1ccccc1Cc1ccccc1 3601848 XKQNKMCCTSFWHT-UHFFFAOYSA-N 369.424 4.238 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(OC)c1 3907695 SVVWNVWRYSSMSE-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB Cc1c(-c2cccc(NC(=O)c3c(F)cccc3F)c2)nc2ncccn12 4033203 AVOKRXFYAHMEFV-UHFFFAOYSA-N 364.355 4.235 0 40 FIAB C[C@@H]1CCCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)C1 4043338 QIIGQAJZDPRKOE-SECBINFHSA-N 373.667 4.049 0 40 FIAB Cc1cccc(NC(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)c1C 5278118 LLIJCCLDOTVFNX-UHFFFAOYSA-N 367.836 4.063 0 40 FIAB COc1ccc(-c2oc3ncn4ncnc4c3c2-c2ccc(OC)cc2)cc1 5345811 GYVFUAVELCFYAC-UHFFFAOYSA-N 372.384 4.222 0 40 FIAB CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 5910465 XGKYZBNSUHFAMQ-APHBMKBZSA-N 368.502 4.104 0 40 FIAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 6258720 KBAIQDUFBJSSRC-UHFFFAOYSA-N 350.462 4.048 0 40 FIAB COc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(OC)cc1Cl 6315699 VAKUHFHNLLZTTB-UHFFFAOYSA-N 369.870 4.281 0 40 FIAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2cn3ccccc3n2)n1 6463826 GVEPLEUUFIBZOM-UHFFFAOYSA-N 371.853 4.074 0 40 FIAB Cc1cc(C)c(OCC(=O)N(Cc2ccco2)Cc2ccco2)c(C)c1 6747359 ZJRBLMHLBCKRTP-UHFFFAOYSA-N 353.418 4.406 0 40 FIAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nccn1C 6921470 XCYWTXJEGQYMER-UHFFFAOYSA-N 350.440 4.243 0 40 FIAB Cc1ccc2nc(CN(Cc3ccc(C(C)C)cc3)C3CC3)cc(=O)n2c1 7797593 KVGIHTWEUQXUJX-UHFFFAOYSA-N 361.489 4.291 0 40 FIAB CCc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 7980814 YXFAMRGCRAGESE-UHFFFAOYSA-N 369.424 4.200 0 40 FIAB CCCn1nnnc1CSc1ncnc2sc(-c3ccccc3)cc12 8156413 JWLSJQPABFLBIA-UHFFFAOYSA-N 368.491 4.047 0 40 FIAB Cc1nc2c(c(SCC(=O)Nc3ccccc3C(F)(F)F)n1)CCC2 8654789 FLQPDHCMSGUSCY-UHFFFAOYSA-N 367.396 4.023 0 40 FIAB C[C@@H](NC(=O)Cn1ccc2ccnc(-c3cccs3)c21)c1ccncc1 12134288 FVQOMYOEHCLPDZ-CQSZACIVSA-N 362.458 4.037 0 40 FIAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)on1 12158914 PYFGKNTUJXHHLY-GOSISDBHSA-N 374.444 4.080 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(F)c1 12525594 WSAGWZOQDQIVKN-AWEZNQCLSA-N 359.420 4.394 0 40 FIAB Cc1nc(=S)[nH]c(C)c1CCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 12601955 OMWDTORIQXKBLV-HILYYZTDSA-N 373.566 4.410 0 40 FIAB Cc1ccc(N2N=N[C@@H]3CC[C@@H](C4=CCCC4)[C@@]32N2CCOCC2)cc1C 13302913 QREAMPJMFCEADK-BDTNDASRSA-N 366.509 4.408 0 40 FIAB Cc1nc(N2CCC(C)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 13654764 YQCDGAJOHUSQJJ-SGQUHAKNSA-N 361.489 4.480 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 13708921 KWBABOWDAQEHLG-HNNXBMFYSA-N 363.413 4.423 0 40 FIAB CC[C@H]1c2ccsc2CCN1Cc1nc(-c2ccccc2OC)no1 14158247 FZHYUFJOCSVHFP-HNNXBMFYSA-N 355.463 4.316 0 40 FIAB COc1cc(OC)c2c(c1/C=C/C(C)(C)O)O[C@H](c1ccccc1)CC2=O 14684696 DKYFESWWIPJYTA-DVQDXYAYSA-N 368.429 4.194 0 40 FIAB biogenic,in-vitro O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1cc2ccccc2o1 15083541 RNHVCCMRAWNKJP-UHFFFAOYSA-N 357.369 4.332 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2ccc3oc(C)nc3c2)c1 15574320 SLLAXDBKHSTAPD-UHFFFAOYSA-N 361.195 4.160 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3cccc(C)c3)cs2)cc1 15832504 LSEDUUQHQFSOAK-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2sc(C)nc2-c2cccs2)c1 15840189 GONZDSMSPSXYFY-UHFFFAOYSA-N 374.487 4.378 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C)o3)N(C)C)oc2c1 15860364 SRIDLXRLGKKKSS-MRXNPFEDSA-N 354.450 4.292 0 40 FIAB COc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 16090378 ARSMCCDYVGHSER-UHFFFAOYSA-N 366.744 4.135 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1 16840582 ORTZLPDQLZRXLE-UHFFFAOYSA-N 370.405 4.414 0 40 FIAB CCOC(=O)c1ccc2nc(C)cc(NC(=O)/C=C/c3cccs3)c2c1 17306652 KCIQFVGXUZIOLT-VQHVLOKHSA-N 366.442 4.433 0 40 FIAB Cc1nc(C)c(CC(=O)N2CCC(CCc3ccccc3F)CC2)s1 19560364 UNDOCNHNUVZLBW-UHFFFAOYSA-N 360.498 4.313 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20141671 MGTNDBKRAABIPF-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc(C(=O)O)c1O 20145284 CYTATIACBZNMML-CSKARUKUSA-N 363.369 4.311 0 40 FIAB O=C(COc1cccc2[nH]ccc12)Nc1ccc(Br)cc1F 20744899 MGXLPXCLYRUFAR-UHFFFAOYSA-N 363.186 4.087 0 40 FIAB COc1cccc(C(=O)OCc2csc(-c3ccc(C)cc3)n2)c1O 21125126 GMEZDZGDNMIKJL-UHFFFAOYSA-N 355.415 4.190 0 40 FIAB CCn1nc(NC(=O)COc2cccc(C)c2)c2cc3cccc(C)c3nc21 21596536 RXUYDOSIKPUAOH-UHFFFAOYSA-N 374.444 4.239 0 40 FIAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N(CC)CC)c2c1 22574172 BQOZKJMEIYCOKM-UHFFFAOYSA-N 368.502 4.476 0 40 FIAB CC(C)c1cccc(N2C[C@H](C(=O)N[C@H](C)c3cccs3)CC2=O)c1 23016408 NHHLHTJKNONAOC-GDBMZVCRSA-N 356.491 4.102 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)c1csc(-c2cccs2)n1 24737815 VSCPJVCPWXDOLW-UHFFFAOYSA-N 354.416 4.174 0 40 FIAB Cc1ccc(Cn2cc(NC(=O)c3cccc(Br)c3)cn2)cc1 28229921 GQVJJZFTZMSDHK-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1csc(C)n1 28278343 ONVRBGKJHRFRRS-GUYCJALGSA-N 374.506 4.348 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl 28290728 KQMNKMNAUKBFRG-HNNXBMFYSA-N 369.852 4.299 0 40 FIAB CC(C)n1ncc2cc(C(=O)Nc3nnc(C4CCCCC4)s3)cnc21 29090002 SPMYGMBLPXPGLJ-UHFFFAOYSA-N 370.482 4.164 0 40 FIAB CC(C)c1c(C(=O)NC[C@@H]2CCCc3ccccc32)cnn1-c1ccccn1 30895820 WPXPKSRJZWQCJX-SFHVURJKSA-N 374.488 4.241 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 31850926 PEMUYBYQTJPNEI-UFUQCMIWSA-N 366.530 4.025 0 40 FIAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 32674756 RTWJDRFQWMHHHL-NSHDSACASA-N 360.404 4.247 0 40 FIAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCC(c2c[nH]c3ccccc23)CC1 32879766 SDVRABMTWWLJPY-KRWDZBQOSA-N 373.500 4.325 0 40 FIAB CCCc1nc(-c2cccc(OCC(=O)Nc3ccccc3Cl)c2)no1 33327485 OSAHYICOZDIKIA-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB O=C(Cc1csc(-n2cccc2)n1)Nc1ccc(OC(F)(F)F)cc1 35598483 FQEMQIDJVQTEFK-UHFFFAOYSA-N 367.352 4.014 0 40 FIAB C[C@@H](OCc1ccccc1)C(=O)Nc1nc(-c2cccc(F)c2)cs1 40088890 PLCRQBQKQMWPMB-CYBMUJFWSA-N 356.422 4.493 0 40 FIAB COc1ccc([C@H](C)NC(=O)Nc2ccc(OC(F)F)cc2)cc1F 40103174 KFIRWSMNBBAVIZ-JTQLQIEISA-N 354.328 4.318 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cccs1)C1CCCC1 42985440 LFMPZEKTCHUVQT-DOMZBBRYSA-N 352.500 4.009 0 40 FIAB O=C(NCC1CCN(c2ccccn2)CC1)c1cc(Cl)cc(Cl)c1 43975973 YNORQAMYNCKWLV-UHFFFAOYSA-N 364.276 4.035 0 40 FIAB O=C(NC1CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078379 PGQOGPGAAMTRKN-UHFFFAOYSA-N 362.473 4.342 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)/C=C/c1ccccc1OC(F)F 47320086 RJXOJHRQSVWLEV-CMDGGOBGSA-N 371.343 4.298 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2-n2cccn2)cc1 48150007 DYYQEPMONJKUTC-IBGZPJMESA-N 362.433 4.250 0 40 FIAB COc1cc([C@@H](C)NC(=O)Cc2c(C)noc2C)ccc1OC1CCCC1 48340739 MKJLFEFSONYSPX-CYBMUJFWSA-N 372.465 4.041 0 40 FIAB Cc1ccnn1-c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 58014204 YIGSAMFICHXUEO-UHFFFAOYSA-N 363.442 4.135 0 40 FIAB CC(C)(C)c1ccc(C[S@](=O)CCC(=O)Nc2ccc(F)cc2)cc1 58143255 RDTGPOMBELTMOL-VWLOTQADSA-N 361.482 4.401 0 40 FIAB COc1ccccc1CNC(=O)CN(C)C(c1ccccc1)c1ccccc1 58160558 AALQHQMOCJXZQX-UHFFFAOYSA-N 374.484 4.033 0 40 FIAB Cc1c(Cl)c(CN2CCC[C@@H](c3ccnn3C)C2)nc2ccccc12 71808721 FNHVYVMBVJKBOF-OAHLLOKOSA-N 354.885 4.310 0 40 FIAB CCN(CC)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72212832 OABIVTCKEGWVRU-LJQANCHMSA-N 353.466 4.402 0 40 FIAB CCC(=O)N1CCC[C@H](c2cc(Cc3ccccc3OC)cc(C)n2)C1 72353846 MJHZKFHQZZAARM-IBGZPJMESA-N 352.478 4.105 0 40 FIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414248 AMYXVOUFTQUUHT-UHFFFAOYSA-N 370.474 4.342 0 40 FIAB Cc1ccc(-c2cc(NC(=O)C3CCOCC3)n(-c3ccccc3)n2)cc1 73171433 FUKUWPNOHIRGLO-UHFFFAOYSA-N 361.445 4.213 0 40 FIAB Cc1nc(CN2CCOc3cc(Br)c(Cl)cc32)oc1C 75093965 WEACXSZNIFIQBS-UHFFFAOYSA-N 357.635 4.106 0 40 FIAB CCCc1ccc(C(=O)N2CCC(c3ccc(C(=O)OC)cc3)CC2)cc1 85473027 BFQTZPUPNZSELO-UHFFFAOYSA-N 365.473 4.446 0 40 FIAB COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc1OC 102727628 FKMLMTHVWXTYJV-SFHVURJKSA-N 370.405 4.223 0 40 FIAB O[C@H](COCC[C@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 104492924 RDXQFUZNRUQJIT-LWSSLDFYSA-N 371.565 4.145 0 40 FIAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1cc(C)sc1C 105664070 IPZIKMDZROPUCC-OHNRDTAOSA-N 372.534 4.387 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C 219067606 AOUADGZBLBHBPW-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccccc2OC)cc1 219563665 FLJBKKNXTCYDCZ-IBGZPJMESA-N 371.477 4.000 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C(C)C 222825119 GHJGEJJRNCPCSA-OALUTQOASA-N 356.539 4.462 0 40 FIAB O=C(CSCc1cccc(Cl)c1)NCCOc1ccc(Cl)cc1 223404306 CUOXYJHZEHFVBW-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1 223678425 QBBZOMHREQLSJK-DLBZAZTESA-N 371.477 4.274 0 40 FIAB CCOCc1cc(C(=O)Nc2ccccc2Br)ccc1OC 224405382 CMQHYSCIRGBVOU-UHFFFAOYSA-N 364.239 4.247 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 242799545 FDDNHPKMMMWUGU-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(O)c4)OCC[C@@]31C2 257249206 JHHJTEHXDWJYEJ-WOGGDJBASA-N 357.494 4.047 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2ccnc(-c3cccc(C(=O)O)c3)c2)CC1 257249581 JIZDGASPDRLSNU-UHFFFAOYSA-N 366.461 4.199 0 40 FIAB CC[C@@H]1CN1P(=O)(Oc1ccc(Br)cc1)N1C[C@H]1CC 301054417 JIMULZLKHUNTGL-YYKRIWSCSA-N 359.204 4.124 0 40 FIAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCOCC2)cc1 408576925 HJIZPKKTSHYISR-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 408608276 OWHUWTDDRGGACW-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB CCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 408713065 IYNIDRBZASOFFF-UHFFFAOYSA-N 371.234 4.036 0 40 FIAB CCCn1ccc2cc(NC(=O)Nc3ccc(-n4ccnn4)cc3)ccc21 502446291 AQNNSANLVFHPGP-UHFFFAOYSA-N 360.421 4.276 0 40 FIAB c1ccc(-c2cnc(Nc3cc(CC4CCNCC4)ccn3)s2)cc1 585262904 DBVJKSYMTICXOK-UHFFFAOYSA-N 350.491 4.491 0 40 FIAB COc1cccc(C)c1NC(=O)NCc1ccccc1CC(F)(F)F 861021641 IJLHATVOLXZXDK-UHFFFAOYSA-N 352.356 4.430 0 40 FIAB CC(=O)N(C)C1CCC2(CC1)CN(C1CCCCC1)Cc1ccccc1O2 1615123941 WIVNSIQVCJOBJJ-UHFFFAOYSA-N 370.537 4.373 0 40 FIAB Cc1cc(Br)c(O)c(NC(=O)c2conc2C2CCCC2)c1 1637315378 IKWCSQZDFBAKDS-UHFFFAOYSA-N 365.227 4.361 0 40 FIAB CC[C@H](C(=O)O)c1ccc(C2CN(C(=O)OCc3ccccc3)C2)cc1 2362804931 VJEOJFHPNJKCKM-IBGZPJMESA-N 353.418 4.001 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 876275 QAKSNENMJGFTOL-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB CCc1nc(SCC(=O)N2CCC(C)CC2)c2c(C)c(C)sc2n1 1372160 GOPRAAWLPTXDGS-UHFFFAOYSA-N 363.552 4.221 0 40 FIAB C[C@H]1S[C@H](c2ccc3c(c2)OCO3)N(c2nc3ccccc3s2)C1=O 1461318 COGVDUJQKIESAP-BMLIUANNSA-N 370.455 4.192 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC)cc2)cc1 1911449 OUMINFZYIHFVOW-XNTDXEJSSA-N 367.445 4.233 0 40 FIAB Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccccc1)CC(=O)N2 2724166 BTWUXRFGACPOTQ-QFIPXVFZSA-N 374.415 4.318 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1ccn(COc2ccccc2Cl)n1 2786572 WVEXUYKUKLCKNK-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB C[C@H](NC(=O)COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1 3230242 XVCRVBNDLGOWSW-KRWDZBQOSA-N 374.440 4.464 0 40 FIAB O=C(NCCc1ccc(Cl)cc1Cl)c1cncc(Br)c1 3231105 QZXDXUVEIDSDQQ-UHFFFAOYSA-N 374.065 4.123 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)NCc1ccc(Cl)cc1Cl 3507117 TXFKIEUZPIWTPL-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB COC(=O)c1ccc(COc2ncnc3scc(-c4ccccc4)c23)o1 3516348 VYECNAVHGCFWDB-UHFFFAOYSA-N 366.398 4.317 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1cccc(Cl)c1N1CCCC1 4746909 NIGRHHQWQUSJHU-UHFFFAOYSA-N 360.841 4.210 0 40 FIAB Cc1cccc(CC(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)c1 5136376 WFPVUCZOCUBWKL-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB Cc1ccc(C)c(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c1 5319161 SMXZMRKCKFHQIR-CYBMUJFWSA-N 366.486 4.083 0 40 FIAB Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCC1=O 5440140 DWKAJSICVPMVCS-UHFFFAOYSA-N 362.351 4.393 0 40 FIAB Cc1nnc(S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)O)[nH]1 5721344 SCCRZMVZZYUUKD-RIYZIHGNSA-N 361.810 4.244 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ncc(-c2ccccc2)o1 6085534 VGUYMSKXSXWUEC-UHFFFAOYSA-N 362.410 4.204 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccc(OC(F)F)cc2)cc1Cl 6259268 FIEUSMRDNOXUGX-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2cccc(F)c2)Cc2ccco2)cc1 6747590 VXCYENGTOWBFDW-UHFFFAOYSA-N 353.393 4.335 0 40 FIAB O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1 6829947 VHMNSFXPMKVGDW-UHFFFAOYSA-N 355.503 4.335 0 40 FIAB Cc1ccc2c(COC(=O)COc3ccc(Cl)c(C)c3)cc(=O)oc2c1 6860205 NEVFCYAFVNDYOE-UHFFFAOYSA-N 372.804 4.185 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1C 7052689 PVGOHBUJMBXADN-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB CCc1nnc(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)O)o1 7365617 QFKWBWLYHWGBAH-WJDWOHSUSA-N 369.446 4.257 0 40 FIAB CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OC 7538075 XCGVFKDNCHXXBQ-UHFFFAOYSA-N 364.283 4.455 0 40 FIAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 8036837 IMQVNQDZEIEHIC-KRWDZBQOSA-N 373.452 4.467 0 40 FIAB Cc1c(O)ccc2c(CSc3nnc(-c4ccccc4)o3)cc(=O)oc12 8234072 SFQJMJBEAPNFAX-UHFFFAOYSA-N 366.398 4.149 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccs3)cc2)cc1 8291153 XZWZSOOOVGFTRC-UHFFFAOYSA-N 366.442 4.190 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)Cc3c[nH]c4ccccc34)o2)cs1 9502893 ZVNMJBYHEMHRJK-UHFFFAOYSA-N 351.431 4.052 0 40 FIAB COc1cc2nc(Cl)nc(Nc3ccc(NC(C)=O)cc3)c2cc1OC 11756283 VNYZZTPLJQZDID-UHFFFAOYSA-N 372.812 4.002 0 40 FIAB CN(Cc1ccc2ncccc2c1)Cc1cc(-c2ccc(F)cc2)c[nH]c1=O 12144079 ZVIARANQLMXGTO-UHFFFAOYSA-N 373.431 4.361 0 40 FIAB c1ccc2nc(SCc3ccon3)c(SCc3ccon3)nc2c1 12360401 KHOOPBCBMWOXMZ-UHFFFAOYSA-N 356.432 4.190 0 40 FIAB O=C(O)Cn1nc(C2CC2)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 12395322 ASFUAVMQDNAWQU-UHFFFAOYSA-N 361.323 4.137 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](Cc1ncc[nH]1)c1ccccc1 12538748 OMUWDSQRPJHWEQ-QGZVFWFLSA-N 373.378 4.071 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(F)c3)c(=O)oc2c1 12607809 RQZSCZQIXWMANT-UHFFFAOYSA-N 369.392 4.129 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)NCCN(C)c1ccccc1 12613265 RDGSGUBYSDDWGF-UHFFFAOYSA-N 357.504 4.046 0 40 FIAB CCSc1nc2ccccc2n1CC(=O)N1CCCc2ccccc21 12659711 ZCIMZGGKHIODJZ-UHFFFAOYSA-N 351.475 4.128 0 40 FIAB CCOCCCNC(=O)c1cccnc1Sc1ccccc1Cl 12740731 XUTFNSPIZMPPGQ-UHFFFAOYSA-N 350.871 4.043 0 40 FIAB CCCCNc1nnc(SCC(=O)N[C@@H](C)c2ccccc2C)s1 12745465 CLVCPGCTKPCRFX-ZDUSSCGKSA-N 364.540 4.028 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N[C@H](C)C2CC2)cc1 12796966 AMTPTQJNMHECDL-OAHLLOKOSA-N 361.445 4.076 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1 12831130 DUKSVOKGVULXIS-UHFFFAOYSA-N 361.357 4.246 0 40 FIAB CN(C)Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 14199592 CVXXQJVURNPOJK-UHFFFAOYSA-N 358.485 4.274 0 40 FIAB CC(=O)c1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 14349922 SSFYNXPIIIDYKW-UHFFFAOYSA-N 374.440 4.065 0 40 FIAB COc1ccc(C)cc1NC(=O)CCCSc1nc2ccccc2[nH]1 15082333 IARUKCBWDKWDOI-UHFFFAOYSA-N 355.463 4.391 0 40 FIAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(Cc2ccccc2)CC1 15511501 XGDDSDUGTSUIDZ-FQEVSTJZSA-N 355.865 4.125 0 40 FIAB CCOc1ccc(NC(=O)COc2cccc(C)c2C)c2cccnc12 15840827 HNOHBWGYRAGJOH-UHFFFAOYSA-N 350.418 4.268 0 40 FIAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NCC(C)C)oc12 19887868 UDPDSHIXHPTOSE-UHFFFAOYSA-N 366.417 4.080 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 20455217 FWTYBJUHECYAHR-HUUCEWRRSA-N 359.491 4.452 0 40 FIAB Brc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)s1 21014943 UEEZENKLDYPOOQ-ZDUSSCGKSA-N 355.301 4.030 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21576383 IORKYLKVSGYBTR-UHFFFAOYSA-N 356.441 4.396 0 40 FIAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccccc3Cl)nn12 21595807 ZRMCFFZHDQYNBG-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB CCc1nc(COC(=O)c2csc(NCc3ccccc3)n2)cs1 24109453 WDXHAMRZEXWFJO-UHFFFAOYSA-N 359.476 4.131 0 40 FIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cnc3c(cnn3C(C)C)c2)n1 25014127 NETFZYXAEXGEID-UHFFFAOYSA-N 374.448 4.067 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 26379307 VQTYJXYYBRGOPQ-QWHCGFSZSA-N 359.857 4.420 0 40 FIAB CN(C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCc2ccccc21 29258724 AVZBPZPHQAPKBP-HKUYNNGSSA-N 372.509 4.170 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1OC(F)F 29807451 VYAOTQTZUSVCSN-UHFFFAOYSA-N 373.359 4.247 0 40 FIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc2ccccc2s1 32819103 GFXGJDHAQDEQHE-GOSISDBHSA-N 350.487 4.468 0 40 FIAB COc1ccc2c(c1)c(C(=O)NCc1ccccc1OC)c(C)n2C1CC1 40023688 ZZTMEYHAIDAJBW-UHFFFAOYSA-N 364.445 4.232 0 40 FIAB CN(c1ccc(NC(=O)NCC[C@@H]2CCCO2)cc1F)C1CCCCC1 40145371 MIEUXWGEAAGLDY-KRWDZBQOSA-N 363.477 4.285 0 40 FIAB CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1 43774589 GJQDBZYEWDEYJO-UHFFFAOYSA-N 366.392 4.316 0 40 FIAB COc1cc(OC)cc(-c2nc3cc(OC)cc(Br)c3o2)c1 45920248 IAMKJTIIOASJLF-UHFFFAOYSA-N 364.195 4.283 0 40 FIAB O=C(Cc1ccc(OC(F)(F)F)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 47892138 NTGHGWCVHINHDY-VXGBXAGGSA-N 369.305 4.365 0 40 FIAB FC(F)n1c(SCc2cnn(-c3ccccc3)n2)nc2ccccc21 48235092 JMLFBYJHGVCAPP-UHFFFAOYSA-N 357.389 4.304 0 40 FIAB CCCCN(C)c1ncc(Cl)c(C(=O)NCc2ccc(Cl)s2)n1 48310915 YJMVNQDPCKGENH-UHFFFAOYSA-N 373.309 4.011 0 40 FIAB Cc1ccc(O)cc1C1(c2cc(O)ccc2C)C(=O)N(C)c2ccccc21 49947059 NKZZEJHPPNGJGK-UHFFFAOYSA-N 359.425 4.025 0 40 FIAB Cc1nc(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)o2)cs1 56903875 OPSWEVYFLOJISB-UHFFFAOYSA-N 355.206 4.061 0 40 FIAB O=C(Nc1ccc(NC2CCCCC2)cc1)[C@@H]1COc2ccccc2O1 58157873 RNBJKLDJGJRJMW-FQEVSTJZSA-N 352.434 4.210 0 40 FIAB Cc1n[nH]c2ncc(C(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)cc12 58334270 LIVBPFMBKXAITO-GOSISDBHSA-N 352.413 4.067 0 40 FIAB Cc1cc(SC(C)(C)C)cnc1N1CCN(C(=O)OC(C)(C)C)CC1 72222625 BNIXYZXIAXSMOH-UHFFFAOYSA-N 365.543 4.338 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NC[C@H](CCO)c1ccccc1 79066936 NCNRGHOHZICQIB-INIZCTEOSA-N 363.910 4.105 0 40 FIAB O=C(c1ccc(I)cc1)c1ccnc2ccccc12 83317176 VQNUIHLRPIRZSL-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)c1cnc(Cc2ccc(F)cc2)s1 84718119 QDKPEOAMNBZJAC-ZDUSSCGKSA-N 352.434 4.464 0 40 FIAB CC(C)(C)c1cc(N/C=C\c2nnnn2-c2ccc3ccccc3c2)no1 100662199 CISWPRZPNGUCCT-KHPPLWFESA-N 360.421 4.184 0 40 FIAB COc1ccc(CCNC(=O)CCc2cccc3ccccc23)cc1OC 222661787 OXNXOTIYKPENTC-UHFFFAOYSA-N 363.457 4.149 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1 223148786 GUTSYIKODGKSPH-JOCHJYFZSA-N 351.490 4.472 0 40 FIAB COc1ccc(CC(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 223844624 PESHEALENADDNN-UHFFFAOYSA-N 355.478 4.082 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2CCC[C@H](C)C2)c(C)cc1N 226331653 HVOYCYWTZOHQJS-AWEZNQCLSA-N 353.466 4.074 0 40 FIAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCCN3Cc3cccnc3)cn2)n1 257238378 HKSJNYVZKIKQEU-HXUWFJFHSA-N 374.492 4.354 0 40 FIAB COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1OC(F)F 257282527 OUBXWKYGTSKTLW-OTUNNCPPSA-N 356.409 4.170 0 40 FIAB CN(C)Cc1ccnc([C@H]2CCCN2Cc2cc3ccccc3s2)n1 257317380 VJNSMWPBCQMHRP-GOSISDBHSA-N 352.507 4.090 0 40 FIAB COc1ccc(-n2c(C)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 409096067 JESSOLLEEYVAPI-UHFFFAOYSA-N 373.865 4.213 0 40 FIAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 409241406 XHDLFLWRHMYAKO-LDADJPATSA-N 370.836 4.222 0 40 FIAB O=C(c1cccc(N2CCCC2)c1)N(Cc1cccc(O)c1)CC1CC1 612383099 LSPJVKJUBAJQET-UHFFFAOYSA-N 350.462 4.045 0 40 FIAB Cc1cnc(CNC(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)[nH]1 1586175779 DUWKCLBUDSFRTK-UHFFFAOYSA-N 357.866 4.453 0 40 FIAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[C@@H](C)CC4)cc1 691678 NXSDBPGSRXOOJI-NSHDSACASA-N 367.474 4.264 0 40 FIAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1 703862 AIUVNUBHXOXZES-UHFFFAOYSA-N 367.401 4.309 0 40 FIAB biogenic COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1 875929 KKLQKCHXUSHANV-UHFFFAOYSA-N 370.430 4.037 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1 976348 MYLXLICGPCDFFT-UHFFFAOYSA-N 357.410 4.104 0 40 FIAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccccc3Cl)ccc12 2095328 CEDQHUHJBXRSNX-UHFFFAOYSA-N 372.804 4.351 0 40 FIAB biogenic CCN(CC)c1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 2295461 ZEFQEDCTGFVKPC-UHFFFAOYSA-N 356.495 4.245 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(F)c(F)c1 3263693 DZFHRMPDFHLUAT-UHFFFAOYSA-N 367.351 4.427 0 40 FIAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc2ccccc2c1 3315411 RSMTZNPETJLXRF-UHFFFAOYSA-N 367.426 4.046 0 40 FIAB Cc1cc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)no1 3460846 MQYPITMJYFWNNW-UHFFFAOYSA-N 364.430 4.053 0 40 FIAB Cc1cc(I)cn2cc(-c3ccc(F)cc3)nc12 4003119 GAQAMLVCSSFPBQ-UHFFFAOYSA-N 352.150 4.053 0 40 FIAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4081995 MDJRZSNPHZEMJH-UMDFJOQQSA-N 374.521 4.059 0 40 FIAB biogenic CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccccn1 4909789 IRELIELMQOTRNT-SFHVURJKSA-N 352.825 4.080 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1ccccc1Cl 4943207 VTCXEFANYNFRRR-UHFFFAOYSA-N 371.868 4.137 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3CS2)cc1 5325375 XXTUHFVUPJYLIY-ZDUSSCGKSA-N 372.515 4.368 0 40 FIAB COc1ccc(-c2nnc(S[C@@H](C)c3ccccc3Cl)n2N)cc1 6100730 BQVKLFNHGILZGL-NSHDSACASA-N 360.870 4.174 0 40 FIAB COC(=O)c1ccc(CSC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 6579504 MZOHIKJOMLBPRQ-KRWDZBQOSA-N 351.431 4.140 0 40 FIAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4ccccc4)nc3c12 6669441 ATNDQZOXLOTEJC-UHFFFAOYSA-N 353.429 4.411 0 40 FIAB CCOC(=O)c1ccc(OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 6784331 BZXRSFSIGYXMKB-UHFFFAOYSA-N 364.397 4.037 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N(C)Cc1ccccc1 7003068 PQGKVQJISDCBRW-GOSISDBHSA-N 351.494 4.136 0 40 FIAB O=C(O)/C(=C/c1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603267 KVXCNWSQHBCOQG-UVTDQMKNSA-N 357.822 4.343 0 40 FIAB CCOc1cc(C(=O)Nc2ccccc2C(C)=O)cc(OCC)c1OCC 7642641 QWRDHKPWUBZFDN-UHFFFAOYSA-N 371.433 4.338 0 40 FIAB O=C(CCc1cccnc1)N1CCC(c2nc3ccccc3s2)CC1 8022834 HGZVLLNKXFJACB-UHFFFAOYSA-N 351.475 4.030 0 40 FIAB CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(C)cc1 8026029 DMGRQIRJTMNVDP-SFHVURJKSA-N 357.523 4.324 0 40 FIAB O=C(NCc1ccccc1)c1cccc(OCc2cc(-c3ccco3)on2)c1 8222457 TXJLUYLTBVTUOV-UHFFFAOYSA-N 374.396 4.444 0 40 FIAB Cc1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(C)o1 8316584 DLWDQXNWFLPTBG-UHFFFAOYSA-N 350.422 4.134 0 40 FIAB Cc1ccc(COc2ccccc2C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 9189008 LVCCXBPIAGDXRV-IRXDYDNUSA-N 355.503 4.359 0 40 FIAB CCCCc1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 9217704 KMLJOVNWEGWFBC-UHFFFAOYSA-N 354.450 4.113 0 40 FIAB CCc1ccc2nc(N3CCN(C(=O)C4CCCCC4)CC3)sc2c1 10166293 PENAMZYVSGFMJG-UHFFFAOYSA-N 357.523 4.088 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(F)cc1 10923016 FBVDBZYSIXTJEV-UHFFFAOYSA-N 361.779 4.424 0 40 FIAB CCOc1cc(C(=O)Nc2noc3ccccc23)cc(OCC)c1OCC 12249927 XYFKFOQXOMVZKT-UHFFFAOYSA-N 370.405 4.276 0 40 FIAB Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)on1 12422371 RYCBLRVTSUVEAC-UHFFFAOYSA-N 351.387 4.218 0 40 FIAB Cc1ccc(N2C(=O)/C(=C/Nc3ccccn3)c3ccccc3C2=O)cc1C 12546884 LBAXTKUVKJVTTG-XSFVSMFZSA-N 369.424 4.338 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1ccccc1Cl)O[C@H](C)C2 12865132 ZOOZEWGZNRKVLC-GFCCVEGCSA-N 361.825 4.080 0 40 FIAB CN(Cn1ncc2ccccc2c1=O)C(c1ccccc1)c1ccccc1 12883828 LKOHQOOCUMLKOA-UHFFFAOYSA-N 355.441 4.075 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccccc1Cl 12912538 XKVIDCFFDSCBNC-GFCCVEGCSA-N 357.866 4.278 0 40 FIAB Cc1ccc(F)c(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c1 12946451 CXGRYJRLXXGYMA-UHFFFAOYSA-N 351.337 4.491 0 40 FIAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3)[nH]c2=S)cc1 12972826 VAEHOXSPBDXGDC-GOSISDBHSA-N 366.490 4.411 0 40 FIAB CCCCOc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 13561326 FYTCCNKMKDHJKQ-UHFFFAOYSA-N 366.417 4.048 0 40 FIAB COc1ccccc1CNC(=O)c1cccnc1Sc1ccccc1 15653498 NSKBHYOQNBJABJ-UHFFFAOYSA-N 350.443 4.171 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3c(C)cccc3C)n2)cc1 15669615 KTPUTWDWEOUPSP-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB COc1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)c(OC)c1 16806042 INSLVKQIQYKMGX-UHFFFAOYSA-N 357.406 4.013 0 40 FIAB O=C1c2ccccc2-c2nc(N3CCCCC3)nc(-c3ccc(O)cc3)c21 17073769 HCVKLRDEMKDGET-UHFFFAOYSA-N 357.413 4.051 0 40 FIAB COc1ccc(CN2CCCCC[C@@H]2c2cc(C)no2)c(OC)c1OC 19120250 MSSBBEBCTUBZPS-MRXNPFEDSA-N 360.454 4.126 0 40 FIAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)c2c1 19563153 HDBKRSPOUSQDNJ-AWEZNQCLSA-N 374.444 4.073 0 40 FIAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(-c2ccc(Cl)cc2)o1 20139877 MSMRQCFTFKPFET-UHFFFAOYSA-N 357.749 4.256 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCCc1ccccc1F 22876112 ADKBVKQAJSZCEJ-UHFFFAOYSA-N 369.484 4.200 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c1C 24901767 HHMSNXAENKABPC-UHFFFAOYSA-N 367.405 4.024 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2nnc(CC(C)C)s2)cc1Cl 25445422 DBBWSQDUPQXICN-UHFFFAOYSA-N 360.266 4.304 0 40 FIAB CCCCc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1 27631923 DZJBSXCDTMEFKO-UHFFFAOYSA-N 354.475 4.107 0 40 FIAB COc1ccc(Cn2nccc2NC(=O)c2cccc3ccccc23)cc1 28404830 PLXHCFYDXZBZFJ-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)ccc1C 29111295 ITJZFPOMVCULLS-UHFFFAOYSA-N 352.356 4.341 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1cc(C)ccc1C 30755124 HTGICZVNLJPYDU-VQTJNVASSA-N 360.542 4.232 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)c3ccc(Br)o3)ccc2[nH]1 32721216 LLTGFKZJQUVQTB-UHFFFAOYSA-N 362.227 4.468 0 40 FIAB CCN(C(=O)CCCNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 32738373 SMZOMSSRXRQYOY-UHFFFAOYSA-N 362.832 4.042 0 40 FIAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)c1ccc(F)cc1 32767982 YKQUAUUOWHNWFE-UHFFFAOYSA-N 354.450 4.498 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)CNc1ccccc1SCC(F)(F)F 32907913 RLTFJSLANVBSLQ-STQMWFEESA-N 360.445 4.448 0 40 FIAB CSCc1ccc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc1 32930821 DUYQDIQTHWFLCX-UHFFFAOYSA-N 351.431 4.384 0 40 FIAB Cc1c(C(=O)Nc2ccccc2F)sc2ncn(C3CCCC3)c(=O)c12 35673394 QSNMIBIDEWYPDE-UHFFFAOYSA-N 371.437 4.273 0 40 FIAB Cc1nc(CSCC(=O)N[C@@H](C)Cc2cccc(Cl)c2)cs1 36392799 YZPRWNNJFZRWJV-NSHDSACASA-N 354.928 4.086 0 40 FIAB CN(Cc1ccccc1Br)C(=O)Nc1ccc(F)c(F)c1 40097615 SZHRUWHNHHUKJG-UHFFFAOYSA-N 355.182 4.391 0 40 FIAB CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 40151356 SSIKAIJUPWFJJA-FXAWDEMLSA-N 351.494 4.299 0 40 FIAB Cc1ccc(C)c(OCc2nnc(S[C@H](C)c3nc(C4CC4)no3)o2)c1 48355039 IMWAZJICQRCHLB-GFCCVEGCSA-N 372.450 4.379 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)nc1)C1(c2cccc(Cl)c2)CC1 58393961 BJILVPRVDDXWOY-UHFFFAOYSA-N 355.869 4.396 0 40 FIAB O=C([C@H]1C[C@H]1c1cccc(F)c1)N1CCC(Nc2ccc(F)cc2)CC1 63583924 GZZGPPFPFZTVHT-PMACEKPBSA-N 356.416 4.171 0 40 FIAB CCCCc1noc(CNc2cc(Cl)ccc2OC[C@H]2CCCO2)n1 70015475 CGEQWXFGCTVVQO-CQSZACIVSA-N 365.861 4.236 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(=S)[nH]c2C)cc1 72218418 MNOIHRLKUWKXRY-QGZVFWFLSA-N 362.520 4.277 0 40 FIAB CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 72324904 MWJWKHJHXONNTA-HXUWFJFHSA-N 368.521 4.398 0 40 FIAB biogenic COc1ccc(-c2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)cc1 72350081 BOJHEGJNVAJHBZ-SFHVURJKSA-N 352.478 4.116 0 40 FIAB COc1cc(-c2nc3cc(F)ccc3n2C)ccc1OCc1ccncc1 79763682 LHKDILRKVRTIPA-UHFFFAOYSA-N 363.392 4.362 0 40 FIAB Cc1nc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)cc2nc1C 84057394 ORFLPOQQXYESCQ-ZIAGYGMSSA-N 351.372 4.098 0 40 FIAB CCOc1ccc(-c2nc(N3CCCCCC3)sc2CC(=O)O)cc1 95097201 KRPFDVNPFMLBNN-UHFFFAOYSA-N 360.479 4.216 0 40 FIAB COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2sc(C(C)C)nc2C)cc1 95458898 HAKHHJAXWAVHGW-WBMJQRKESA-N 362.495 4.090 0 40 FIAB CCCCc1ccc(NS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)cc1 100898938 JFMOMVOZKKRDOI-UZLBHIALSA-N 363.523 4.166 0 40 FIAB Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3nnnc3N2)cc1 100982255 AMDIJUOSSRDAJZ-MRXNPFEDSA-N 358.232 4.344 0 40 FIAB CCCCN1C(=O)/C(=C/c2sc3ccccc3c2Cl)NC1=S 101400731 WGRPEUVHRYBIMV-LUAWRHEFSA-N 350.896 4.412 0 40 FIAB CCCn1c(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)nc2ccccc21 102674035 UCKSZWRFOKPPIS-KILAXVPQSA-N 367.493 4.106 0 40 FIAB COc1ccc(CCNC(=O)N2CCCC[C@H](c3ccc(F)cc3)C2)cc1 211081080 PXWPMGFYGNOEEE-IBGZPJMESA-N 370.468 4.356 0 40 FIAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1 214380663 ZMXZPTPVDLWHRX-RQZCQDPDSA-N 373.405 4.079 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1C 219524304 HPIAJVNHPJZOCD-IBGZPJMESA-N 366.505 4.030 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 223022953 LGINOXPNXMOMNO-LBPRGKRZSA-N 373.324 4.425 0 40 FIAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 223783867 GCIFXUIJRDZKFF-RTBURBONSA-N 365.458 4.250 0 40 FIAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1cccc(C)c1 224381925 KDDNDCWDEVJYNM-UHFFFAOYSA-N 365.429 4.496 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(C)cc2)c1 225387885 BDTTWMQNBBAJLU-UHFFFAOYSA-N 356.491 4.009 0 40 FIAB COCCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 257300994 RWMBRMZUPVJMLS-MRXNPFEDSA-N 371.456 4.015 0 40 FIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 408708514 JGEFACSLTVFSFF-UHFFFAOYSA-N 364.367 4.084 0 40 FIAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(C)cc3Cl)o2)cc1 408713904 CKNCCZUDNDXLOZ-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB CCSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 408751066 VZRZKBDAZZMAEF-VXGBXAGGSA-N 364.492 4.238 0 40 FIAB COc1ccc(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 408829337 FNQRVQCBWYKAJO-UHFFFAOYSA-N 361.825 4.267 0 40 FIAB O=C(C[C@@H](c1ccsc1)n1cccc1)NCCc1c[nH]c2ccccc12 524735662 QLQIXIXPGGCTTL-FQEVSTJZSA-N 363.486 4.369 0 40 FIAB COc1ccc(CCC(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)cn1 1525472081 MKHWMZGVIKYBPL-UXHICEINSA-N 352.478 4.208 0 40 FIAB CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccccc1 1775967136 GWYSLGJDPNAVTI-HOTGVXAUSA-N 355.459 4.352 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2cccs2)o1 1888970062 SFGRBRVUKXWWQK-CQSZACIVSA-N 361.850 4.054 0 40 FIAB Cc1cc(C)c(Cn2c(=O)n3nc(CC(C)C)nc3c3ccccc32)c(C)c1 1889078072 DAUJVPCQEVZPEQ-UHFFFAOYSA-N 374.488 4.216 0 40 FIAB CN1[C@H]2CC[C@@H]1CC(NC(=O)N1c3ccccc3CCc3ccccc31)C2 755206 JTUZTJBWWIKYRI-IHWFROFDSA-N 361.489 4.258 0 40 FIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 981325 ILTCKDDZIOHYTK-TVNQGELYSA-N 355.843 4.192 0 40 FIAB COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)c1ccc(F)cc1 1016351 KTKAFIDKOQWMIM-UHFFFAOYSA-N 357.772 4.197 0 40 FIAB COc1cc2ncnc(NCc3ccccc3C(F)(F)F)c2cc1OC 1386815 GFSPWXQGVZJYSG-UHFFFAOYSA-N 363.339 4.278 0 40 FIAB COc1cccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1 2626125 ZJAKAZRNNVTNMB-UHFFFAOYSA-N 372.475 4.021 0 40 FIAB COc1cc(SC)ccc1C(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 2656845 JQSGLTPSBNHPQR-NSHDSACASA-N 364.850 4.499 0 40 FIAB Cc1ccccc1[C@H](OC[C@H](O)CN1CCC[C@H](C)C1)c1ccccc1 2661981 XDHLIZFUNBHEKF-QTGUNEKASA-N 353.506 4.194 0 40 FIAB COc1ccccc1OCc1ccc(-c2nc3c4ccccc4ncn3n2)o1 2806285 BBUPXXGZUOSWSE-UHFFFAOYSA-N 372.384 4.125 0 40 FIAB FC(F)Oc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1 3328232 VQRLWRFKPJNYML-UHFFFAOYSA-N 361.417 4.298 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nccs3)cc12 3400165 CHDFSLKWBQVEES-UHFFFAOYSA-N 372.450 4.302 0 40 FIAB Cc1ccccc1Nc1nnc(SCC(=O)N(C(C)C)C(C)C)s1 3465419 GPDLTOCKSOLBOY-UHFFFAOYSA-N 364.540 4.328 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCN=C1SCc1cccc(C)c1 4120212 PNBAXESENWZXIQ-UHFFFAOYSA-N 374.893 4.402 0 40 FIAB C[C@H](Sc1ncnc2c1nnn2Cc1ccc(F)cc1)c1ccccc1 4166467 CCXJXCSAOIBVSR-ZDUSSCGKSA-N 365.437 4.262 0 40 FIAB CCN1CCc2c(sc3c2C(O)=N[C@H](/C(C)=C/c2ccccc2)N3)C1 4556161 LMCBATZLGJTGNM-YLZCUGDYSA-N 353.491 4.286 0 40 FIAB O=C(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc2c1=O 4936861 GHMFHBRHPPOSMP-UHFFFAOYSA-N 357.384 4.420 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(=O)n(Cc2ccccc2)c1 4940427 ZOYWOWQKUSXRBR-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CC(=O)[C@@H]1SC2=NC3=C(CCCC3)[C@H](c3ccccc3Cl)N2C1=O 5379119 POOBBQUXKPPMQE-HOTGVXAUSA-N 360.866 4.112 0 40 FIAB CCOc1cccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 5573912 ANYXSESELRGHOI-UHFFFAOYSA-N 374.444 4.033 0 40 FIAB O=C(N[S@@](=O)[C@@H]1C=C[C@H]2CCC[C@H]12)O[C@@H]1CCCC[C@H]1c1ccccc1 5765935 JFJYIEIQAXWPJD-WQSFKSTJSA-N 373.518 4.457 0 40 FIAB O[C@@H](COc1ccccc1Cl)CN1CCC(Cc2ccccc2)CC1 6495871 TYLAYNRUPNUTDX-LJQANCHMSA-N 359.897 4.034 0 40 FIAB COc1ccc(CN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C2CC2)cc1 7116223 KHSYOKZIZOGHDK-INIZCTEOSA-N 371.864 4.091 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)N(C)Cc3sccc3C)o2)cc1 7116871 JPEZJCHYFVTXOA-UHFFFAOYSA-N 355.463 4.006 0 40 FIAB Fc1ccc(NC(=S)NCc2ccccc2CN2CCCCC2)cc1 7404770 LCNQHAUYJSGXME-UHFFFAOYSA-N 357.498 4.298 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1OCC 7404944 OBKIMCVOHGMABK-QGZVFWFLSA-N 371.477 4.357 0 40 FIAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cccc(Br)c2)c1 7541362 DLMCWOQUYPMFPN-GFCCVEGCSA-N 362.223 4.058 0 40 FIAB CCc1cccc(C)c1NC(=O)CNc1cc(Cl)c(OC)cc1OC 7846778 LWGCGRGASOZXGE-UHFFFAOYSA-N 362.857 4.279 0 40 FIAB COc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 7909815 KYJCNKQQBLKUTB-MRXNPFEDSA-N 367.474 4.081 0 40 FIAB CC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3S[C@@H]2C)cc1 8342583 AHVNKJABJAXEEF-CYBMUJFWSA-N 362.458 4.255 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 8479984 UIXHJTQPVCBFEZ-HXUWFJFHSA-N 368.477 4.321 0 40 FIAB c1cncc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 10215111 SMWDGCVHHNVHMP-GCJKJVERSA-N 371.396 4.053 0 40 FIAB CCCCn1c([C@H]2CC(=O)N(c3cccc(OC)c3)C2)nc2ccccc21 12411036 GHJAFUVXRLKIIS-INIZCTEOSA-N 363.461 4.366 0 40 FIAB O=C(Nc1ccccn1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12728428 ANFAAQABURLCBF-UHFFFAOYSA-N 364.792 4.433 0 40 FIAB Cc1cc(NC(=O)CN[C@H](C)c2ccccc2Cl)n(-c2ccccc2)n1 12865937 IZAYDDSEIRIQCW-OAHLLOKOSA-N 368.868 4.123 0 40 FIAB COC(=O)C[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 12878629 XDFWMZHOPBXRSP-HNNXBMFYSA-N 357.793 4.120 0 40 FIAB Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)n(Cc2ccccc2)n1 12943797 GAWIYMLSIBXAKH-UHFFFAOYSA-N 373.815 4.050 0 40 FIAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(Cl)c1Cl 13668763 BYKHEPUJICJGEM-SNVBAGLBSA-N 372.273 4.142 0 40 FIAB O=C(Nc1cccc2cccnc12)c1ccc(Cl)c(N2CCCC2=O)c1 14125186 OYWALRWIEQUKKK-UHFFFAOYSA-N 365.820 4.267 0 40 FIAB O=C1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2N1 14207291 FTALYWSAMBIQPC-NSHDSACASA-N 353.180 4.197 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 14495079 DBGMKOWJXGYBFX-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Cc1cccc(-c2nnc([C@H](C)Nc3ccc(N4CCCC4=O)cc3)o2)c1 15507040 LTRHVVCRKSKNRH-HNNXBMFYSA-N 362.433 4.345 0 40 FIAB C[C@H]1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1 17362880 SOBCWJYTJRLCNZ-INIZCTEOSA-N 368.546 4.267 0 40 FIAB COc1ccccc1OCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 18075638 VQRWKMXCIWMBKE-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB CCCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 19501282 JCWSGVYMXMNHSA-LLVKDONJSA-N 355.360 4.056 0 40 FIAB Cc1nc([C@@H]2CCCN2C(C)C)nc2c1CCC(=O)N2CC1CCCCC1 19743247 LRCSRMUMVAWJQS-IBGZPJMESA-N 370.541 4.190 0 40 FIAB CC(C)Sc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 20612820 XPQBEXSEDILDSI-UHFFFAOYSA-N 354.519 4.145 0 40 FIAB O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2Cl)o1 20746079 ALADPKYKADQVFX-HNNXBMFYSA-N 371.849 4.436 0 40 FIAB O=C(NCc1ccccn1)c1cccc(OCc2ccccc2Cl)c1 22258274 IKFMPTZPCKVACJ-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(OC)c1 22400120 QYWUUPUAOKBSBX-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB COc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)C(C)C 22504412 ZOGUXZYFYGZGMO-UHFFFAOYSA-N 367.449 4.274 0 40 FIAB C[C@]1(C(=O)Nc2ccnn2Cc2ccccc2Cl)CC1(Cl)Cl 22531482 SOJJSDLNXKFFJT-CQSZACIVSA-N 358.656 4.107 0 40 FIAB COC(=O)c1c(CN[C@H](C)c2ccc(F)c(F)c2)nc2ccccc2c1C 23866531 NXMDWHJAOHULLU-CYBMUJFWSA-N 370.399 4.459 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(OC(C)C)cc1 28189636 VCFAUFPDOTYOOY-UHFFFAOYSA-N 371.462 4.248 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 29799274 MAWSNJOGQXNKKY-UHFFFAOYSA-N 372.222 4.100 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)cc1 30753613 CLRIJVRLPXQIMJ-HNNXBMFYSA-N 359.491 4.279 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1OC 30860523 MIYXWUWWSSCPIX-CABCVRRESA-N 359.491 4.203 0 40 FIAB Ic1ccccc1OCc1nc2ccccc2o1 31656981 IPWIOPHTJYUHAZ-UHFFFAOYSA-N 351.143 4.011 0 40 FIAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3cc(F)cc(F)c3)ccc2o1 32097488 DKQWLZNICDYYPB-UHFFFAOYSA-N 366.389 4.204 0 40 FIAB CCOC(=O)c1cc(CC)sc1NC(=O)Cc1c[nH]c2ccccc12 32988003 MGJCYJGPQPUMHE-UHFFFAOYSA-N 356.447 4.150 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 33632310 DNWQADVMYHEOMV-JLHYYAGUSA-N 363.505 4.214 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 38755472 PZWODQWIQVPLKM-OAHLLOKOSA-N 355.434 4.393 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 39755465 JDSFSCPAXAJHCS-UHFFFAOYSA-N 352.478 4.325 0 40 FIAB CC(C)CS(=O)(=O)CCC(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 40117656 PAANVJYFVQLONN-HXUWFJFHSA-N 367.555 4.084 0 40 FIAB O=C(CCSc1ccccc1)NCc1ccc(N2CCCCCC2)nc1 40122078 GWIZPWXORYCIAB-UHFFFAOYSA-N 369.534 4.261 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cn1 40142433 HRCDLCMDQKZJHM-UHFFFAOYSA-N 364.449 4.045 0 40 FIAB Cc1noc(C2CCN(C(=O)c3ccc(SC(F)(F)F)cc3)CC2)n1 40156257 WOGHUHCWKIROIV-UHFFFAOYSA-N 371.384 4.010 0 40 FIAB O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCC[C@@H]1c1ccncc1 47629643 PSTLJYSRKQYBFT-QGZVFWFLSA-N 367.840 4.290 0 40 FIAB Cc1c(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)oc2c1C(=O)CCC2 49636651 WZUHOPFNSROTIV-UHFFFAOYSA-N 368.433 4.344 0 40 FIAB O=C(Nc1ccccc1)NC1CCN(Cc2cccc3cccnc23)CC1 55031957 YLOROBFQEUHCSB-UHFFFAOYSA-N 360.461 4.021 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)CN(C1CCCC1)C1CCCC1 58168290 HRHRJHQLMWOKJR-UHFFFAOYSA-N 356.510 4.162 0 40 FIAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)cc1 58172719 MUDMAGDMSGKLIM-OAHLLOKOSA-N 370.474 4.334 0 40 FIAB C[C@@H]1CCN(C(=O)CNC(C)(C)c2ccccc2)c2ccccc2S1 58311065 LLRMOHZTSHWILG-MRXNPFEDSA-N 354.519 4.429 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1 58741217 UOJSJMFTKWTYIQ-UHFFFAOYSA-N 366.392 4.212 0 40 FIAB O=C(Nc1ccc(O)cc1)c1csc(COc2ccc(Cl)cc2)n1 60481277 QEWRTEGHKQXDDP-UHFFFAOYSA-N 360.822 4.333 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1csc(-c2ccncc2)n1 62079700 YFWYJQYBADLKNP-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1ccc(Cl)cc1 64977436 LWZRRLMIVGMLGJ-UHFFFAOYSA-N 353.784 4.004 0 40 FIAB O=C(COC(=O)Cc1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 72331058 STAKRWFSDUAQMJ-UHFFFAOYSA-N 372.635 4.371 0 40 FIAB CC(C)(C)c1noc(CCCC(=O)NC(C)(C)c2ccc(F)c(F)c2)n1 75106207 LCLJUQGFBVXGHG-UHFFFAOYSA-N 365.424 4.020 0 40 FIAB COc1ccccc1-c1cnc(COc2cc(C)ccc2NC(C)=O)o1 78972270 GPSHYKBFBCBSLY-UHFFFAOYSA-N 352.390 4.196 0 40 FIAB CCCCN(CC)Cc1cccc(CNC(=O)c2ncoc2C(C)C)c1 79073939 HEHZKBOXOXFUTM-UHFFFAOYSA-N 357.498 4.350 0 40 FIAB Cc1csc(SCC2CCN(C(=O)CCc3ccccc3)CC2)n1 90608105 JQXFUYNJPQYHFB-UHFFFAOYSA-N 360.548 4.415 0 40 FIAB c1ccc(-c2ccc3nc(C4CCN(Cc5ccccn5)CC4)nn3c2)cc1 96038177 AXSQYGUSCKEMTO-UHFFFAOYSA-N 369.472 4.171 0 40 FIAB CO[C@](C)(CNC(=O)CSc1ccc(F)cc1)c1cccc(Cl)c1 96392546 YGFWLFVCVLGYIC-GOSISDBHSA-N 367.873 4.249 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102271476 SDYXFMCBGHBTQS-FDRFZEDHSA-N 368.477 4.425 0 40 FIAB CN1CCC[C@@H](NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 106133226 DUYYCHVSCIUKRF-WOJBJXKFSA-N 371.912 4.017 0 40 FIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)c1 171310915 NLQIWEFNAFVLSK-UHFFFAOYSA-N 359.853 4.344 0 40 FIAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccccc2)c1 223541910 LPLCWEXSSPPRHS-VKZJTJHYSA-N 374.440 4.236 0 40 FIAB CCc1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 223704994 GRRWNSIMDDNEIF-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccccc2C(C)C)cc1Cl 224183291 BRCXALXKPGRBDG-UHFFFAOYSA-N 361.869 4.346 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](Cc2cccc(Br)c2)C(=O)O)c1 225063995 ODPLDTGNJOYTCM-QGZVFWFLSA-N 363.251 4.449 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)ccc21 225111565 WAQSTRKGJJKOBQ-AWEZNQCLSA-N 370.474 4.106 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)NCCCc1ccc(Cl)cc1 225214898 VYWAAKBOYFEOGB-UHFFFAOYSA-N 357.881 4.347 0 40 FIAB Cc1ccc(NC(=S)NCCSCc2ccccc2Cl)nc1 225297663 WOXWAUGBXFYIKR-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB Fc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1Cl 225453668 DTEAEGFVQCIEPT-UHFFFAOYSA-N 360.845 4.151 0 40 FIAB NC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226334663 VJCNKUBLEPKXSU-FNORWQNLSA-N 366.642 4.180 0 40 FIAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCCc1cc2ccccc2o1 390830277 JXLUNKKIBNKCLE-UHFFFAOYSA-N 370.836 4.082 0 40 FIAB C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1ccc(-c2ccncc2)cc1 532247337 KXGYCSUDGRKXGC-JXFKEZNVSA-N 362.452 4.212 0 40 FIAB O=C(NCC[C@H](CCO)c1cccs1)c1ccccc1C(F)(F)F 575604128 RBRGHYQWCFVOSI-GFCCVEGCSA-N 357.397 4.053 0 40 FIAB COc1ccccc1OCC(=O)N[C@@H](C)Cc1csc2ccccc12 575621857 WGFBMBRLLRSXCR-AWEZNQCLSA-N 355.459 4.036 0 40 FIAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 585182534 GCBJPMYMECXTLG-QGZVFWFLSA-N 372.476 4.036 0 40 FIAB c1ccc(-c2cnc(Nc3cc(C[C@H]4CCCNCC4)ncn3)s2)cc1 585263458 ZSVJHJNQIXYVPK-HNNXBMFYSA-N 365.506 4.276 0 40 FIAB Cn1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c2ccccc21 655265766 IXZARWKAYVPKEJ-UHFFFAOYSA-N 370.456 4.141 0 40 FIAB Cc1nnc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)o1 664569072 QISXZQWOQIYRBT-ZDUSSCGKSA-N 368.412 4.087 0 40 FIAB C=CC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C 1120554313 PXJFBMCTCUCEAH-VIFPVBQESA-N 351.269 4.244 0 40 FIAB Cc1nn(-c2ccccc2F)cc1CNc1ccc2c(c1)CCCC(=O)N2 1201047266 YHNJXLMEYUSJGG-UHFFFAOYSA-N 364.424 4.207 0 40 FIAB Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)[C@@H]1C[C@]1(F)c1ccccc1 1543692982 VNVXDPRUTWZADO-YWZLYKJASA-N 371.362 4.189 0 40 FIAB Clc1ccc(OCc2nn3c(Cc4ccccc4)nnc3s2)cc1 632771 XBSADQDUQCYXDQ-UHFFFAOYSA-N 356.838 4.009 0 40 FIAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OC 823311 MVVQTADBWBBXKV-UHFFFAOYSA-N 352.386 4.111 0 40 FIAB biogenic COc1cccc2cc(-c3nnc(-c4ccccc4Cl)o3)c(=O)oc12 856268 OOVXHSDYHUOGSE-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc3ccccc3c2)ccc1C 992754 WLVWIBYGQGNDKO-UHFFFAOYSA-N 361.397 4.146 0 40 FIAB O=C1CS[C@@H](c2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl 1402941 RZPSYDCRZGCURQ-HNNXBMFYSA-N 352.242 4.341 0 40 FIAB FC(F)(Cl)c1nnc2ccc(Sc3nc4ccccc4s3)nn12 1406638 MLFQEDOERZOCOT-UHFFFAOYSA-N 369.809 4.173 0 40 FIAB Cc1cccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccccc2)c1 1509702 LIXVULYEMHLBSO-HSZRJFAPSA-N 370.452 4.487 0 40 FIAB Cc1cc(C)cc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2)c1 2148915 RAFUHJJIJRVEJH-UHFFFAOYSA-N 366.413 4.314 0 40 FIAB biogenic Cc1cc(C(=O)CSc2ncccn2)c(C)n1CCc1ccc(F)cc1 2628129 OWBONSSPCJNMEL-UHFFFAOYSA-N 369.465 4.252 0 40 FIAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(F)cc3)n2)c1 2917518 SETBAHRGJRECQJ-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB Fc1ccc(NC(=S)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)cc1 4033733 VZMKJTXCPQCDCK-SFHVURJKSA-N 370.428 4.032 0 40 FIAB Clc1ncn(-c2ccc(-c3n[nH]cc3Br)cc2)c1Cl 4277623 RULVEVQKNNOPKN-UHFFFAOYSA-N 358.026 4.332 0 40 FIAB COC(=O)COc1cc2c(-c3cc4ccccc4o3)cc(=O)oc2cc1C 4586226 JBJVPOLEFAVOMZ-UHFFFAOYSA-N 364.353 4.066 0 40 FIAB biogenic Cc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)o1 4935201 LQICNDYQCYOHEE-CMDGGOBGSA-N 367.401 4.087 0 40 FIAB Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3s2)c(C)n1C 6140969 JUESPVHYLJNGSG-UHFFFAOYSA-N 370.474 4.000 0 40 FIAB COc1ccc(CNC(=O)c2sc(-c3ccc(C)cc3)nc2C)cc1 6764377 MQJYCVTXTVVFKL-UHFFFAOYSA-N 352.459 4.366 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 7495598 AXDRBQJPTZZVOB-JOCHJYFZSA-N 366.505 4.118 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2)cc1 7686236 RSJVHYBYKKHTSN-FGZHOGPDSA-N 359.425 4.041 0 40 FIAB CCCOc1ccc(S(=O)(=O)Nc2ncccc2C)c2ccccc12 8714961 ZIRDIWNKOVVFNI-UHFFFAOYSA-N 356.447 4.133 0 40 FIAB c1ccc(CCCNc2nc(Nc3ccccc3)c3nccnc3n2)cc1 9075198 GBXXVAXDHUUVDN-UHFFFAOYSA-N 356.433 4.208 0 40 FIAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)O 9434403 CUEHZWIHVOULOR-MAUKXSAKSA-N 352.434 4.220 0 40 FIAB O=C1C[C@H](c2cccs2)Cc2nc(NC3Cc4ccccc4C3)ncc21 10494418 SKDYELZQUNFPPJ-OAHLLOKOSA-N 361.470 4.030 0 40 FIAB Cc1cc(C(=O)N[C@H](C)c2ccccc2Cl)c2cnn(C(C)C)c2n1 10965242 KXPJWCWNQOUWBP-CYBMUJFWSA-N 356.857 4.465 0 40 FIAB Cc1cc(NCC(C)(C)CN(C)C)n2nc(C)c(-c3cccs3)c2n1 12113337 SMKZPESXSCTOII-UHFFFAOYSA-N 357.527 4.074 0 40 FIAB Cn1nccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 12444218 LKRXXDORDDVRIT-UHFFFAOYSA-N 360.442 4.463 0 40 FIAB Cc1cccc(-n2ccnc2SCCC(=O)Nc2ccccc2F)c1 12519879 CAMMZHFOUYMREJ-UHFFFAOYSA-N 355.438 4.441 0 40 FIAB O=C(c1ccc2[nH]cnc2c1)N1CCC(c2nc3ccccc3s2)CC1 12520658 FZCXZNCAYMCBNT-UHFFFAOYSA-N 362.458 4.192 0 40 FIAB C[C@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 12538608 QIBJLTPBANXXQI-HNNXBMFYSA-N 370.522 4.328 0 40 FIAB Cc1ccc(-c2noc(CSc3nncn3-c3ccccc3)n2)cc1F 12551724 BDZFPWWTDMHKLD-UHFFFAOYSA-N 367.409 4.057 0 40 FIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1 12552429 QFLZOJRTIKKWPS-HNNXBMFYSA-N 372.490 4.128 0 40 FIAB Cc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1C 12562659 PPBFXZGETJODRS-LAUBAEHRSA-N 350.462 4.357 0 40 FIAB CCC[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12753775 NVTDTLRQRNAPAW-FQEVSTJZSA-N 350.462 4.014 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2csc(-c3cccs3)n2)c1 12818242 WLOBNEHJWQTPRU-LLVKDONJSA-N 374.487 4.380 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(F)cc1F 12884825 MIPCDGYOEIXAMQ-SNVBAGLBSA-N 359.401 4.283 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2csc(-c3ccsc3)n2)c1 12996298 UBZPFKBMINWCAM-UHFFFAOYSA-N 358.444 4.219 0 40 FIAB CC(=O)OC(Cc1ccc2ccccc2n1)(C(F)(F)F)C(F)(F)F 13214552 BKFHAXQKLFFRNM-UHFFFAOYSA-N 351.246 4.204 0 40 FIAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 13644571 CPXGFZREOLRBDS-ATVHPVEESA-N 355.415 4.335 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14796224 RLVLTQQCUMHRSS-KGLIPLIRSA-N 374.868 4.274 0 40 FIAB COc1ccc(OC)c(-c2oc3ccc(Cl)cc3c(=O)c2OC(C)=O)c1 15085099 DQYKRZNAVGNKBE-UHFFFAOYSA-N 374.776 4.056 0 40 FIAB COC(=O)c1ccc2occ(-c3oc4ccc(C(=O)OC)cc4c3O)c2c1 16740611 XEXHYLOKJBWRHY-UHFFFAOYSA-N 366.325 4.125 0 40 FIAB biogenic Cc1ccc(-n2ccnc2S[C@@H](C(=O)N(C)C)c2ccccc2)cc1C 17535883 MFVDWNVNDWULQD-LJQANCHMSA-N 365.502 4.411 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nc(Nc3ccccc3)nc2C1 20102226 UAVHBTAJLJSIPE-HNNXBMFYSA-N 359.429 4.450 0 40 FIAB O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccc(C(=O)O)cc1 20144918 UAMXNXROPCWVJC-UHFFFAOYSA-N 367.445 4.128 0 40 FIAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Cl)cn1 20735464 MAQUUEVBLPAQBA-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)NCc1ccccc1 21595924 XBAZHDNJRAEILO-WYMLVPIESA-N 362.454 4.151 0 40 FIAB Cc1ccc([C@@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 22408737 CCYRZSRCOCLIMK-NRFANRHFSA-N 355.889 4.299 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3cccc(C)c3)ccc21 22508429 WXJYIRYLZWFGMN-UHFFFAOYSA-N 367.449 4.411 0 40 FIAB O=C(NCc1ccc(F)cc1)c1ccc(COc2ccc3c(c2)CCC3)o1 28226501 YRQJFLALXYYSGW-UHFFFAOYSA-N 365.404 4.416 0 40 FIAB CC(C)c1ccc([C@H](NCC(=O)NCC(F)(F)F)c2cccs2)cc1 30246063 ZUHRHDMWPYJZNP-KRWDZBQOSA-N 370.440 4.229 0 40 FIAB COC(=O)c1cc(NC(=O)COc2cccc3ccccc23)ccc1Cl 31056925 QTWBAFBNMVKUQO-UHFFFAOYSA-N 369.804 4.297 0 40 FIAB COc1ccc(-c2cc3ncnc(N[C@H](C)[C@@H]4CCCO4)c3s2)cc1 31526882 IQGTXRJGOQYWJB-WBMJQRKESA-N 355.463 4.346 0 40 FIAB Nc1nc2c(s1)[C@@H](c1ccccc1OCCc1ccccc1)CC(O)=N2 32088146 XKGJFNOFXQDVMJ-OAHLLOKOSA-N 365.458 4.470 0 40 FIAB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 35040515 YDWHXTDMFDLVOY-FMNNIJNLSA-N 369.895 4.041 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)c1 36062686 JTWAERCUGSQZIR-RXVVDRJESA-N 366.505 4.244 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cc(F)ccc2F)c1 36360736 KTCRZPIXYJUUIO-HNNXBMFYSA-N 355.344 4.283 0 40 FIAB O=C(CCC1CCCC1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 38666447 DINRFCRXDOVDHY-OAHLLOKOSA-N 359.495 4.475 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 38754745 QVJVPMPYPQJMSM-SFHVURJKSA-N 372.440 4.150 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 38834797 QCFHEEDUYHVGIG-MRXNPFEDSA-N 368.477 4.188 0 40 FIAB CN(C)c1ccccc1NC(=O)NCc1ccccc1CN1CCCCC1 44081722 HNFXWVTUFOWFIM-UHFFFAOYSA-N 366.509 4.060 0 40 FIAB Fc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1Cl 44103724 GKEOBFLSLSHEAQ-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCc2ccccc21 44842174 JNJYDRHTGNQXCN-IBGZPJMESA-N 372.896 4.066 0 40 FIAB Cc1noc(-c2csc(S(=O)(=O)Nc3ccccc3Cl)c2)c1C 44921937 ZQRUAWHEZRYBRM-UHFFFAOYSA-N 368.867 4.474 0 40 FIAB COc1ccc(NC(C)=O)c(NC(=O)CCCc2ccc(Cl)cc2)c1 48366351 KXQWXGYBISFZDF-UHFFFAOYSA-N 360.841 4.268 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C)ccc2F)cc1 55551170 SWNIWHGEDWYNKI-UHFFFAOYSA-N 356.426 4.002 0 40 FIAB COc1cc(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)ccc1OC(C)C 58305326 OSCHJUPTGACWMN-TZIWHRDSSA-N 369.461 4.133 0 40 FIAB O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(F)cc2cccnc12 58733409 IJEZIWNHXOCUAY-UHFFFAOYSA-N 374.202 4.439 0 40 FIAB CC(=O)n1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccccc21 59434448 WNHVWOCRKTVMPP-UHFFFAOYSA-N 353.447 4.044 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCC3)cc1)c1cccc2ccccc12 72309224 IUFBIFHWWQLXLC-UHFFFAOYSA-N 354.413 4.297 0 40 FIAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)c(C)o1 77200345 NUNHXLWZZCQCIW-IAGOWNOFSA-N 374.412 4.325 0 40 FIAB CCOC(=O)c1cccnc1SCc1coc(-c2ccc(OC)cc2)n1 78932041 OGAATHHKCDDDKN-UHFFFAOYSA-N 370.430 4.214 0 40 FIAB CC(C)c1nc(Cn2cnc3sc4c(c3c2=O)CCCCC4)cs1 89893574 WJPZMNRYDYGRPC-UHFFFAOYSA-N 359.520 4.355 0 40 FIAB CCOc1ccc(C(F)(F)F)cc1NC(=O)NCc1cc(Cl)ccn1 95454942 CYBQJIKCFVCPHW-UHFFFAOYSA-N 373.762 4.474 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)[C@@H]1CCCN(C2CCC2)C1 95469082 DRDXYSTUTPLKGV-UKRRQHHQSA-N 373.522 4.094 0 40 FIAB CC(C)c1nc([C@H](C)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cs1 95941328 CJIYCOOQMRYILD-QWHCGFSZSA-N 365.930 4.275 0 40 FIAB Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)c1ccnn1C 96009672 PHTMLXIUZHAJRN-UHFFFAOYSA-N 366.421 4.397 0 40 FIAB Cc1ccc(CN2CCC[C@@]23CCCN(C(=O)Nc2ccccc2)C3)o1 96214628 SYHLQYOCMFEGEF-OAQYLSRUSA-N 353.466 4.251 0 40 FIAB CCOc1cc(CN[C@H](CN(C)C)c2ccccc2)cc(Cl)c1OC 96971435 GITJIQDMVLTHPX-GOSISDBHSA-N 362.901 4.140 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)c1cc(C)sc1C 105664076 IPZIKMDZROPUCC-ZBQZNYHESA-N 372.534 4.387 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2Cl)cc1 110524817 RNYWXTCQGPMXPH-QRWLVFNGSA-N 372.896 4.363 0 40 FIAB O=C(Nc1cccc(Br)c1)c1cnc(-c2ccc(F)cc2)nc1 222612939 ONNSOWGFSGAZFG-UHFFFAOYSA-N 372.197 4.298 0 40 FIAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 223242483 WKMNTAMTQPJABT-GFCCVEGCSA-N 355.862 4.222 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 223650787 FICWDVVLQYDQNK-PMACEKPBSA-N 371.477 4.437 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)c1 224319449 MHQMWLZKGLAKJZ-VQTJNVASSA-N 362.502 4.214 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(F)c3)o2)cc1 224857158 PTDUFMLADDHFHA-UHFFFAOYSA-N 354.381 4.451 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 224868712 OHIHOGRNGNLELP-APWZRJJASA-N 371.477 4.355 0 40 FIAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225007544 VYLMYIFEWYIVEN-OALUTQOASA-N 354.523 4.379 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3F)n2)cc1 225095410 VLUKCFZDQBOIEK-UHFFFAOYSA-N 359.788 4.110 0 40 FIAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225096990 HLOLZZUHSZRXGH-UHFFFAOYSA-N 351.443 4.173 0 40 FIAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 225219948 GFZNWUPQCRTSPY-ZDUSSCGKSA-N 357.325 4.366 0 40 FIAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 225219999 RNCWFXGZCSCMLW-CYBMUJFWSA-N 357.325 4.366 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)N[C@H](C)CC 225281081 SZTZMCJBFFBPEN-CHWSQXEVSA-N 373.324 4.425 0 40 FIAB Cc1ccc(C)c(NC(=S)NCc2nc(-c3ccccc3C)no2)c1 225828120 LWXFYIAQUSYIOS-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB CC(C)CCNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833236 YKBUMJVHSRGNGU-UHFFFAOYSA-N 363.461 4.499 0 40 FIAB O=C(Nc1ccccc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831067 PKCIRCVKGNQYKM-UHFFFAOYSA-N 366.387 4.379 0 40 FIAB O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccccc1Cl 409229153 KLSXJFXUGRTYBS-UHFFFAOYSA-N 374.893 4.129 0 40 FIAB CC(C)NC(=O)c1cccc(Sc2cccc(Br)c2)n1 525009757 FXZWAXGDXDOSNZ-UHFFFAOYSA-N 351.269 4.134 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC(Oc2cccc(F)c2)CC1 529621615 WDHJJQQNQJWHFH-UHFFFAOYSA-N 363.816 4.171 0 40 FIAB O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCOC[C@H](C2CCC2)C1 568478356 HXKJGBADNNCEBA-QGZVFWFLSA-N 367.449 4.154 0 40 FIAB O=C(NCCC1(F)CCC1)c1cc2ccccc2n1Cc1ccncc1 614868242 YSPRPJKJRZKECB-UHFFFAOYSA-N 351.425 4.097 0 40 FIAB Cc1sc(CN[C@@H]2CC[C@H]3CNC[C@H]3C2)nc1-c1ccc(Cl)cc1 647791777 MTYXGNILSZQHOV-ZMSDIMECSA-N 361.942 4.250 0 40 FIAB CC1(C)C[C@H](NC(=O)N2CCOC[C@@H]2c2ccccc2)c2ccccc2O1 675544073 PWDBDUNHAAJIMA-RBUKOAKNSA-N 366.461 4.072 0 40 FIAB Cn1ccc([C@@H]2CCCCCN2Cc2cccc(OC(F)(F)F)c2)n1 2037834546 PBPZQMVFHATXQA-KRWDZBQOSA-N 353.388 4.436 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(Br)s1 639888 OEPRFYCZGYFZPX-UHFFFAOYSA-N 360.298 4.182 0 40 FIAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 778577 VOFKIMJUDMPVBS-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB COc1ccc(C(=S)N2CCCCC2)cc1OC(=O)c1cccc(C)c1 866310 FJXHVXMYUKPAIL-UHFFFAOYSA-N 369.486 4.384 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3C[C@@H]2C)o1 882270 AQYQYUDVYWHFGE-AWEZNQCLSA-N 365.458 4.115 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cccc(Br)c1 934657 NSZYOQFORVICMU-LBPRGKRZSA-N 364.239 4.254 0 40 FIAB CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2Cl)ccc1C 992758 SECDJSMBHLPXJB-UHFFFAOYSA-N 359.809 4.037 0 40 FIAB Cc1nn(-c2ccccn2)c2c1-c1nc(-c3ccc(Cl)cc3)ncc1CC2 1075231 XXULOSAEQUYCQT-UHFFFAOYSA-N 373.847 4.452 0 40 FIAB Cc1cccc(C)c1OCCN1C(=O)c2ccccc2[C@]1(O)c1ccccc1 1080681 RPXYBBAPRXCWBS-XMMPIXPASA-N 373.452 4.032 0 40 FIAB CCN(CC)CCOC(=O)C(OC(C)C)(c1ccccc1)c1ccccc1 1608962 UXCDAGQOMQKUDH-UHFFFAOYSA-N 369.505 4.240 0 40 FIAB Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 1789724 DELNFQPYUDRGOU-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB CCc1cccc(C)c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1929613 FULHUNRKOJWTQA-ZHACJKMWSA-N 355.434 4.235 0 40 FIAB Nc1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 3145246 NWGORNFYYVHGGJ-UHFFFAOYSA-N 356.472 4.221 0 40 FIAB Nc1nc(SCC(=O)c2ccc(F)cc2)nc2sc3c(c12)CCCC3 3299084 UKUMMKXPDAXULS-UHFFFAOYSA-N 373.478 4.266 0 40 FIAB COc1ccc(OCCCC(=O)OCc2nc3ccccc3s2)cc1 3327767 RVXPTPFRHLLCLB-UHFFFAOYSA-N 357.431 4.207 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3385607 VHOJVTQRTDHDCQ-ZIAGYGMSSA-N 357.475 4.365 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc(SC)cc1 3429170 ZDAFLGMQDYRERN-UHFFFAOYSA-N 364.898 4.141 0 40 FIAB CCCn1nc(C(=O)Nc2cc(Cl)ccc2C)c2ccccc2c1=O 3455931 XCHBTVXKJYXUME-UHFFFAOYSA-N 355.825 4.021 0 40 FIAB CCOC(=O)c1c(C)nc(O)nc1SCc1cccc2ccccc12 4317630 CQZKYJAMTWUNGE-UHFFFAOYSA-N 354.431 4.113 0 40 FIAB O=C(NCCCc1nc2ccccc2n1CCc1ccccc1)c1ccco1 4386828 KCSYWRMOHILFIS-UHFFFAOYSA-N 373.456 4.235 0 40 FIAB Cc1cccc(NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 4750049 WNOQZGDIQVYWSP-UHFFFAOYSA-N 355.438 4.232 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nccn1C)c1ccccc1 4804140 WDCJHMJJCXRYID-SFHVURJKSA-N 367.474 4.209 0 40 FIAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccccc4C(F)(F)F)cc1c32 5153656 JHACDXBQQMYOHZ-LLVKDONJSA-N 374.362 4.354 0 40 FIAB Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1C 5972802 BJWZBIZQYYPWKE-UHFFFAOYSA-N 364.445 4.042 0 40 FIAB Cc1ccc2nc(SCC(=O)N[C@H](C)CCc3ccccc3)[nH]c2c1 6017028 NSVOHPDDGGMELQ-OAHLLOKOSA-N 353.491 4.101 0 40 FIAB CCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(CC)cc32)cc1 6844135 ZQIOGWIGULBEID-UHFFFAOYSA-N 370.456 4.477 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 7574022 RWDBRIZZKKEZLB-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1CC 7605006 QZBRRRFDSMRKBL-UHFFFAOYSA-N 354.479 4.135 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1C 8265184 YLCMBJUDGPWSBW-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)c1 8492579 RCUVHYXQTQQCCL-GFCCVEGCSA-N 367.276 4.461 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)NCc2coc(-c3cccs3)n2)cc1 8776540 PMECWZNJLJLAAS-CYBMUJFWSA-N 371.462 4.362 0 40 FIAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 11914138 CXUVDKUVBSXWAY-UHFFFAOYSA-N 367.836 4.009 0 40 FIAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(C)(C)C)c3)cn2n1 12441234 BVBOEBVJGFWMGD-UHFFFAOYSA-N 358.829 4.043 0 40 FIAB CCC(=O)N(CCc1ccccc1C)Cc1cc2ccc(C)cc2[nH]c1=O 12479309 RQYXIABSTBNXII-UHFFFAOYSA-N 362.473 4.126 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)N(C)Cc3ccccc3)nc2c1 12533733 XMGHWNDWCRKGJZ-UHFFFAOYSA-N 366.486 4.303 0 40 FIAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1C 12553236 HUOLUWZXGDDWRX-LJQANCHMSA-N 368.477 4.378 0 40 FIAB Cc1cc(C)n2cc(CSc3ncnc4sc(C)c(C)c34)nc2n1 12601580 SWLBNGZWHWHBPC-UHFFFAOYSA-N 355.492 4.260 0 40 FIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 12739468 OCUVLEPDYQJNOV-INIZCTEOSA-N 366.461 4.344 0 40 FIAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1ccc(NC(C)=O)c(C)c1 12793886 FQLFNRHQBYBCMY-UHFFFAOYSA-N 372.494 4.149 0 40 FIAB O=C(COc1cccc2ccccc12)NCc1ccccc1CN1CCCC1 12980877 DZSNBELMLHYPCL-UHFFFAOYSA-N 374.484 4.131 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)N(C)CCOc2ccc(Cl)cc2)cc1 13041615 PLSOOBHHNXYRHI-HNNXBMFYSA-N 360.885 4.240 0 40 FIAB O=C(c1cccs1)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 13140205 WYSKVKOLVZYRPG-YVWKXTFCSA-N 359.466 4.396 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1C 13709282 RVGPIPJRHFEVCG-HNNXBMFYSA-N 363.413 4.341 0 40 FIAB COc1cc(OC)c(OC)cc1/C=C/C(=O)Nc1c(C)cc(C)cc1C 14141102 LTBKQJPTWXGMAV-BQYQJAHWSA-N 355.434 4.290 0 40 FIAB Cc1cc2c3c(c1)C1(OCCO1)C(=O)N3C1(CCCCCC1)CC2(C)C 14162476 LDVPXQYDWLUVLR-UHFFFAOYSA-N 355.478 4.316 0 40 FIAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccco1 16032451 VXZQZCBQALHONX-RBDMOPTHSA-N 369.461 4.187 0 40 FIAB biogenic CCCC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 17269562 ZAJUKMDEAJWCBZ-UHFFFAOYSA-N 353.470 4.258 0 40 FIAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1-c1ccccc1 18116684 HTWOFMFYQHGIEP-UHFFFAOYSA-N 358.397 4.290 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCc1ccc(-n2ccnc2C)cc1 20457521 AQOOWGWQMQTYDL-UHFFFAOYSA-N 371.440 4.273 0 40 FIAB Cc1cc(C(=O)Nc2cccc(F)c2)c2c(C)nn(-c3ccccc3)c2n1 20578934 YYCQQPJPMJHUBK-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB O=C(Oc1ccc(OCc2ccccc2)cc1)c1cnc2ccccc2n1 21888788 KTUWBJXHURFRGE-UHFFFAOYSA-N 356.381 4.428 0 40 FIAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc2ccccc2cc1O 23601372 WTNULIFEMRIWLB-UHFFFAOYSA-N 357.356 4.419 0 40 FIAB COC(=O)c1ccoc1CN1CCC(c2nc3ccccc3s2)CC1 25166867 SGKPTIVTWSYMBR-UHFFFAOYSA-N 356.447 4.056 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1Cl 30333469 NDIDWTYCFBIUSC-QGZVFWFLSA-N 365.882 4.183 0 40 FIAB CCCCc1ccc(N=c2c(C(=O)O)c[nH]c3cc4c(cc23)OCO4)cc1 31771936 WDSTUFFHGWMSSY-UHFFFAOYSA-N 364.401 4.170 0 40 FIAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 31904015 SBYXMZZIBHVFPB-UHFFFAOYSA-N 372.490 4.196 0 40 FIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)CCc1ccccc1 32610096 WRYVVMQGTFPGMT-UHFFFAOYSA-N 351.425 4.259 0 40 FIAB O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 35314987 RHAAYAWCAQEVMG-INIZCTEOSA-N 361.804 4.114 0 40 FIAB O=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2cccnc2)on1 40128683 ARLMTAVAVXVXGV-UHFFFAOYSA-N 362.216 4.016 0 40 FIAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)Cc3ccccc3)n2)cn1 40287450 TZUMWDOFCYZFOY-UHFFFAOYSA-N 370.412 4.288 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872883 KPSMVVNAOAAVQA-QFIPXVFZSA-N 366.505 4.065 0 40 FIAB Cc1noc(-c2csc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1C 44901556 HNDZMYIAZFADCD-UHFFFAOYSA-N 368.867 4.474 0 40 FIAB COc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1-n1cnnc1 45920685 IUCSMGAKLYOBDJ-UHFFFAOYSA-N 361.188 4.391 0 40 FIAB Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(C(C)(C)C)cc1 47195891 UVLWZOMAVQPYKG-UHFFFAOYSA-N 352.463 4.458 0 40 FIAB CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2nc(C)cs2)cc1 47599285 CYMOUEWYINRXOT-UHFFFAOYSA-N 374.510 4.035 0 40 FIAB C[C@H](c1ccccc1)n1cnn(CN2CCc3ccccc3C2)c1=S 48343180 BQNSFJVMOHQETE-MRXNPFEDSA-N 350.491 4.039 0 40 FIAB c1ccc(Cn2cc(-c3cnn(-c4nc5ccccc5s4)c3)cn2)cc1 49592534 PNLUTYUNFQQXPR-UHFFFAOYSA-N 357.442 4.394 0 40 FIAB O=C1CN(Cc2ccc(-c3ccccc3)cc2)[C@H](c2ccc(F)cc2F)N1 58378083 KKGUFBBVNFHBBQ-JOCHJYFZSA-N 364.395 4.262 0 40 FIAB COC(=O)Nc1cccc(NC(=O)c2c(Cl)c3ccccc3n2C)c1 58527210 XCNZIBNITIDWOV-UHFFFAOYSA-N 357.797 4.262 0 40 FIAB COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3F)s2)cc1OC 64322534 FABRWNYCKXZVRD-UHFFFAOYSA-N 372.421 4.243 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70639985 PCMOGLYPIZLCSH-LJQANCHMSA-N 373.374 4.251 0 40 FIAB Cn1ccnc1CNC1(Cc2ccc(Br)cc2)CCCCC1 72289893 YJILGQRXPVYOAS-UHFFFAOYSA-N 362.315 4.218 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCOCC2)[C@H](c2cccc(Cl)c2)S1 95475870 VXBPRNYBSCYURF-HNNXBMFYSA-N 363.870 4.480 0 40 FIAB Cc1cccc(OC2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)n1 95992858 PYKWIQAZMVQQPM-UHFFFAOYSA-N 369.852 4.208 0 40 FIAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 96625805 SPYKFMZDGZBZAH-UHFFFAOYSA-N 374.887 4.050 0 40 FIAB CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1cccc(Cl)c1 101655781 FGRDUDDNPZKTGJ-UHFFFAOYSA-N 370.836 4.021 0 40 FIAB Cc1nn(CCCNC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1Cl 102612159 KECOKJHVNUVOHU-QJTDPOQLSA-N 363.933 4.348 0 40 FIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)cc2)c(Cl)c1 216234498 NAVCWGDAUKXJQN-IZZDOVSWSA-N 359.809 4.177 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cc(C)cc(C)c1 224108047 TVRLPUDIKYLOHL-NRFANRHFSA-N 355.478 4.273 0 40 FIAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(F)cc2)c2ccccc2O1 224233671 MTRBJYBLZISBPL-QGZVFWFLSA-N 363.454 4.187 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)c(C)c1 224445981 OZJRIUBBEOXFSJ-IBGZPJMESA-N 361.869 4.309 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2cccc3c2CCCC3)cc1 224518167 FFOXLDSGTCPFFT-UHFFFAOYSA-N 367.489 4.092 0 40 FIAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 224994569 UKSYGVZJUCLTRO-UHFFFAOYSA-N 365.520 4.411 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(C)c1 225177841 HIKMKGUQJZFQOQ-MRXNPFEDSA-N 368.477 4.103 0 40 FIAB CC(C)CSc1nnc(NC(=O)Cc2ccc(Cl)cc2F)s1 225218670 RBXVBOFAVSTQKJ-UHFFFAOYSA-N 359.879 4.260 0 40 FIAB C[C@@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccccc1 226409947 WBDLWPXLYBRVFY-HUOSYWTJSA-N 359.425 4.138 0 40 FIAB Cc1ccc(C(=O)N2CC[C@@]3(Cc4ncc(-c5cccs5)n4C3)C2)s1 306126581 DZGZOEVVFXMBNF-LJQANCHMSA-N 369.515 4.070 0 40 FIAB Cc1[nH]nc(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1C 331546216 NOIGRJPOCXGCHH-CABCVRRESA-N 351.372 4.111 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 408547630 KKDDFOQOZJNVRS-INIZCTEOSA-N 374.506 4.023 0 40 FIAB Clc1ccc(CNc2cccc(-c3nc[nH]n3)c2)c(Br)c1 555417447 QPTCYEYTAWEZNT-UHFFFAOYSA-N 363.646 4.500 0 40 FIAB c1cncc(COCC[C@H]2CCOC23CCN(CC2CCCC2)CC3)c1 585103603 BXWXOCZSJYREDO-NRFANRHFSA-N 358.526 4.050 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)c3c2CCC3)o1 604732060 CLOUTQPRJPZYIJ-LJQANCHMSA-N 361.445 4.240 0 40 FIAB Cc1c(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)nnn1CC1CCCC1 622710039 UNOVYQATHHFVPJ-KRWDZBQOSA-N 360.546 4.454 0 40 FIAB O=C(NC[C@H](c1ccccc1)N1CCc2sccc2C1)[C@@H]1C[C@@H]2C[C@@H]2C1 666537929 HWUKKAHWXBWXAB-FUMNGEBKSA-N 366.530 4.010 0 40 FIAB C[C@H](C1CC1)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 722982832 OYBQZMFDYOVZDB-ZUOKHONESA-N 365.429 4.024 0 40 FIAB COc1ccc(CN(C)[C@@H](C)c2nnc(-c3cccc(C)c3)o2)c(OC)c1 727238239 QVWQGXGSEKLRCT-HNNXBMFYSA-N 367.449 4.255 0 40 FIAB CCCOC(=O)[C@H](C)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 1307512605 FGDFJLKFKYVAIX-JSGCOSHPSA-N 360.281 4.178 0 40 FIAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1c1ccccn1 2245763 DPNHAPCYZIJJDO-IBGZPJMESA-N 372.355 4.077 0 40 FIAB Cc1ccc([C@@H](CN2CCCC2)N(C)C(=O)OCc2ccccc2)cc1 2580975 HSYYVIJYVPBYQH-OAQYLSRUSA-N 352.478 4.401 0 40 FIAB Fc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 2914599 FMENOEMEXAGYRR-HOTGVXAUSA-N 373.229 4.326 0 40 FIAB S=c1nc(-c2ccccc2)n(CCCn2ccnc2)c2c1CCCC2 3230469 ONQQGOXKFMBLBR-UHFFFAOYSA-N 350.491 4.445 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1 3908219 LPMITUIUWLGRQQ-UHFFFAOYSA-N 356.765 4.284 0 40 FIAB CCOP(=O)(OCC)[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl 4032055 IGTTWYCPRMGAID-JTQLQIEISA-N 368.625 4.111 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 4180777 OAABEKYZDNXNES-HXUWFJFHSA-N 373.460 4.329 0 40 FIAB CN(C)c1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 4624210 AWIDDVSYPUPGCE-UHFFFAOYSA-N 366.442 4.453 0 40 FIAB O=C(CCc1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1 4696186 GIXYAFJKDRMGOJ-UHFFFAOYSA-N 373.865 4.342 0 40 FIAB O=C(NCc1ccccc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 4813886 NXOARGFTSOBNTE-UHFFFAOYSA-N 355.393 4.390 0 40 FIAB CCCN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc23)C1=O 5671741 QATVXZOAFNQHMV-BOPFTXTBSA-N 357.431 4.303 0 40 FIAB Cc1ccc(/C=C/C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 6390564 WLXFFLXZQNAYDQ-CSKARUKUSA-N 354.881 4.319 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](C)c1ccccc1 8072471 PODQNWJVCOKAIM-CQSZACIVSA-N 353.853 4.368 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCc1ccc(CN2CCCC2)cc1 8406450 LWLGTBIYRYLJPC-UHFFFAOYSA-N 374.484 4.374 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8407045 SCLFURNPAUTCHZ-KRWDZBQOSA-N 357.837 4.479 0 40 FIAB O=C(NCCCn1cnc2ccccc21)c1cc2c(s1)CCCCC2 8425100 GAVDEDULBYOSEP-UHFFFAOYSA-N 353.491 4.187 0 40 FIAB COc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1 8684663 MTCQSHONQUVLPE-UHFFFAOYSA-N 352.912 4.427 0 40 FIAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(NC(=O)c2ccco2)cc1 8719073 VHBBBAWALDPFQI-IBGZPJMESA-N 360.413 4.339 0 40 FIAB COc1ccc(-c2cc(=O)oc3c4c(cc(O)c23)OC(C)(C)CC4)cc1 8765220 SZMCXGKXCHNDIX-UHFFFAOYSA-N 352.386 4.278 0 40 FIAB biogenic COc1ccc2nc(N(Cc3ccco3)C(=O)c3cc(C)on3)sc2c1 9206802 QEOOQANYTIVJDX-UHFFFAOYSA-N 369.402 4.041 0 40 FIAB CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 9232148 HXNCVOWYILJTIS-HNNXBMFYSA-N 356.853 4.455 0 40 FIAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 10763040 LGSPZZCFCKMCFR-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB CCn1cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c2ccccc21 11121776 YEHORKVPYITNCX-UHFFFAOYSA-N 362.458 4.421 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3ccc(OCC)cc3)ccc21 11612971 ZOLAIDMTNKQZPH-UHFFFAOYSA-N 366.505 4.220 0 40 FIAB CC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H]1CCOc2ccccc21 12758664 VIWFSHKXRNPDPB-LJQANCHMSA-N 360.413 4.052 0 40 FIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1c(Cl)cccc1Cl 12798183 OTFPHBFYDHGCMN-LLVKDONJSA-N 363.244 4.300 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(Br)c1 12803849 ATIXBHAIVJBJCA-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB CCOc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 14206774 FSWZMXSOOIYYPV-UHFFFAOYSA-N 354.381 4.451 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 14800312 PPIPQNAOEQYWOX-CYBMUJFWSA-N 353.397 4.106 0 40 FIAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2NC1=O 15585881 HUOYLHBLAHWEQW-MRVPVSSYSA-N 350.802 4.164 0 40 FIAB CC(=O)N[C@H](c1ccccn1)C1CCN(CC[C@@H](C)c2ccccc2)CC1 19455630 SOLADNXPSBPMSJ-JPYJTQIMSA-N 365.521 4.165 0 40 FIAB CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 19500237 QCXFOVDDCQYXBB-UHFFFAOYSA-N 358.526 4.087 0 40 FIAB COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c(O)c1 21205556 DBUYOPHMWKTIJF-UHFFFAOYSA-N 355.390 4.085 0 40 FIAB Cn1c(SCc2ccccc2F)nnc1-c1ccc2c(c1)OCCCO2 21723271 BYUIIYAQFIFDEW-UHFFFAOYSA-N 371.437 4.075 0 40 FIAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)C12CC3CC(CC(C3)C1)C2 22174465 NCWDKJGCGBLCMQ-DJCSNXPJSA-N 363.552 4.379 0 40 FIAB CC(C)c1ccc(-n2ccnc2SCC(=O)Nc2ccccc2O)cc1 24969145 BJMMZJLKNDZMMV-UHFFFAOYSA-N 367.474 4.432 0 40 FIAB CC(C)(C)c1cc([C@]2(O)CN=C3CCCCCN32)cc(C(C)(C)C)c1O 26507709 ZBQAZTXMMIPSOG-JOCHJYFZSA-N 358.526 4.420 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27662563 IWFGECMEAXWAAS-SFHVURJKSA-N 372.534 4.169 0 40 FIAB O=C(NCCc1cccs1)c1ccccc1C(=O)c1ccc(F)cc1 32753125 INERTVHJLSKLOU-UHFFFAOYSA-N 353.418 4.091 0 40 FIAB CN(C)c1cccc(C(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32924727 VVVGBEGLPIWMMY-UHFFFAOYSA-N 365.408 4.009 0 40 FIAB Cc1ccc2c(c1)c(O)nc1c(C(=O)NC3CCCCC3)sc(=S)n12 33251549 BEEYAOYLMMRUBR-UHFFFAOYSA-N 373.503 4.355 0 40 FIAB COC(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl 35291061 LVGOIECIZNFBTQ-UHFFFAOYSA-N 364.829 4.142 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1cccc(F)c1 40407016 XXAAGPRCHNOHGH-UHFFFAOYSA-N 359.397 4.360 0 40 FIAB Cc1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2)cc1C 41303069 KSPPGWGGHQBERQ-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Brc1cc(Cc2ccccc2)ccc1OC[C@@H]1CCCNC1 42774415 ZDJZCUFHVNMUJR-QGZVFWFLSA-N 360.295 4.418 0 40 FIAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC2(C)C)cc1 45932797 LBEYLHOCNGSZMI-UHFFFAOYSA-N 372.877 4.357 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2 47155859 YYFGDEDRZYEABR-SNVBAGLBSA-N 363.339 4.083 0 40 FIAB Cc1sc2nc(-c3ccccc3)nc(N[C@@H]3CCCCNC3=O)c2c1C 48302595 DVLYEYBDHITQLE-OAHLLOKOSA-N 366.490 4.056 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NCCc2cc(F)cc3c2OCOC3)cc1 48333015 IUQFOKJCSCJIRL-UHFFFAOYSA-N 372.440 4.354 0 40 FIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(F)c1 49005561 LZNFMUZTQXVIKL-UHFFFAOYSA-N 370.403 4.442 0 40 FIAB CCCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(C2CC2)s1 49548407 LHRUDNJDYKSLKO-UHFFFAOYSA-N 373.507 4.258 0 40 FIAB Cc1noc(C2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)n1 54664126 VTUBGZFGVKFITC-UHFFFAOYSA-N 361.854 4.266 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1cc(OC)cc(OC)c1 58257963 WSZXELHTYSWBNC-SFHVURJKSA-N 359.491 4.234 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(Br)nc1 72211548 LJQIYXJTCXZGPF-OAHLLOKOSA-N 361.239 4.318 0 40 FIAB Cc1cc(NC(=O)c2ncoc2-c2cccs2)n(-c2ccccc2)n1 72347505 MFIAOVADLYRHFQ-UHFFFAOYSA-N 350.403 4.150 0 40 FIAB COc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccccn2)n1 72357718 KIWRYKRQHBNUTP-JOCHJYFZSA-N 359.473 4.413 0 40 FIAB COc1ccc2cc(S(=O)(=O)Nc3cnc4ccccc4c3)ccc2c1 72414282 DCQOQNCFJDSIPQ-UHFFFAOYSA-N 364.426 4.197 0 40 FIAB CN(C(=O)Nc1nnc(C2CCCCC2)s1)[C@H](CCO)c1ccccc1 75533665 XXFPQFVUBWESEK-MRXNPFEDSA-N 374.510 4.173 0 40 FIAB Cc1cnn(-c2ccc(C(=O)Nc3ccc(-c4ccccc4)cn3)cc2)c1 84265359 DMAVBCRMXBJEQR-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccnn2Cc2ccccn2)CC1 93365843 CIQGSGBMQRSTNR-INIZCTEOSA-N 355.486 4.007 0 40 FIAB CCC(CC)c1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC)on1 95940098 PEEGCRFRFQEVDZ-UHFFFAOYSA-N 355.438 4.130 0 40 FIAB CCC(=O)N1N=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(CC)cc1 95945278 JYRSRVIHZBEEFD-FQEVSTJZSA-N 366.461 4.354 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccc2c(ccn2C)c1 96221171 RBQVQXPZTMYWBU-FQEVSTJZSA-N 373.456 4.476 0 40 FIAB biogenic CCCCn1c(=O)c(C(=O)Nc2ccc(C)cc2)c(O)c2ccccc21 100498440 SFCFEUYHJLJQDS-UHFFFAOYSA-N 350.418 4.068 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCc1cccc(C(F)(F)F)c1 103129900 CDKYBCNYQVLWFQ-QAQJPARQSA-N 367.411 4.043 0 40 FIAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC 121758766 VYDKTABFAMGQGL-QGZVFWFLSA-N 369.461 4.055 0 40 FIAB CC(=O)Oc1ccc([C@H](c2ccccn2)c2ccccc2OC(C)=O)cc1 206172906 AHHCJZMFNZPHLD-QFIPXVFZSA-N 361.397 4.112 0 40 FIAB CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)cc1C 219205438 ACRGRPTUADSNNK-FQEVSTJZSA-N 350.462 4.311 0 40 FIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)[nH]2)cc1 224352746 WWMXKOGVJNBWPY-WOJBJXKFSA-N 362.502 4.458 0 40 FIAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 224926300 CHZKZMJGHMJRFF-UHFFFAOYSA-N 363.454 4.362 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1cn(C)nc1C(F)(F)F 331437165 BDRZLKJUMIBJFC-NSHDSACASA-N 370.375 4.176 0 40 FIAB O=C(NCc1ccccc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676456 OEDQCMUZTNLEOA-UHFFFAOYSA-N 372.399 4.245 0 40 FIAB CCCSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 408751148 WZOPOXGJKVFWLO-CHWSQXEVSA-N 360.504 4.478 0 40 FIAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1[C@@H](c1ccco1)CC(=O)N2 409147479 WVIOMDRJZBWITC-LLVKDONJSA-N 372.833 4.282 0 40 FIAB COc1ccc(-c2ccc(NC(=O)[C@@H]3CCC(=O)C[C@@H]3C)nc2)cc1Cl 548417968 HOQPYHTUYFFWOM-BLLLJJGKSA-N 372.852 4.354 0 40 FIAB C[C@H](NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1)c1nccs1 571412308 BSLSNKLCKPANFZ-NSHDSACASA-N 374.441 4.074 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)CCn1c(C)ccc1C)c1nc2ccccc2[nH]1 575443205 DIDQBSCMDLJCKL-JLTOFOAXSA-N 352.482 4.275 0 40 FIAB c1ccc(Cn2cc(CN[C@H]3CCc4c[nH]nc4C3)c3ccccc32)cc1 675155912 QTSPJBMXVRRKHX-FQEVSTJZSA-N 356.473 4.060 0 40 FIAB CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OCC 1073156 GUYBKOMDHOLRTR-LFIBNONCSA-N 371.820 4.482 0 40 FIAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1ccc(F)cc1 2297711 RDZKIHXRXANLII-UHFFFAOYSA-N 372.779 4.336 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1F 2619998 WDVSWQJNTZJSAT-UHFFFAOYSA-N 370.453 4.176 0 40 FIAB CN(C[C@H](O)COC(c1ccccc1)c1ccccc1)C1CCCCC1 3205126 BJUZJRDGGZMYBB-QFIPXVFZSA-N 353.506 4.418 0 40 FIAB Cc1ccc(-n2c(S[C@H]3CCCCC3=O)nc3ccccc3c2=O)cc1 3256804 LQUNMIIIOYGQFD-IBGZPJMESA-N 364.470 4.298 0 40 FIAB Cc1cc(OCCCC(=O)OCC(=O)c2ccc(F)cc2)ccc1Cl 3322221 SAAZCJYBFRKNKB-UHFFFAOYSA-N 364.800 4.373 0 40 FIAB CCCOc1ccc(NS(=O)(=O)c2cccs2)cc1OCCC 3368300 BAAKYYYTWKQCLJ-UHFFFAOYSA-N 355.481 4.127 0 40 FIAB C[C@H](NC(=O)COC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 3620212 WMMRWGQWUIWJNY-NSHDSACASA-N 352.217 4.028 0 40 FIAB CCN(CC)c1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1 4062355 CJYMJDVRKDIKOH-UHFFFAOYSA-N 363.461 4.452 0 40 FIAB Cc1ccccc1-n1ncc2c(=O)n(Cc3cccc4ccccc34)cnc21 4479065 AVWBHXIFSAXQRX-UHFFFAOYSA-N 366.424 4.092 0 40 FIAB CC1=C(c2nc(-c3ccc(C)cc3)no2)[C@@H](c2ccsc2)NC(=S)N1 4483828 IKHMHZNMCGGLHM-OAHLLOKOSA-N 368.487 4.057 0 40 FIAB CCCCCC[C@H](C)NC(=O)c1ccccc1I 4690796 AXUGQKVADCFRMS-LBPRGKRZSA-N 359.251 4.380 0 40 FIAB O=C(NCCN1CCCCCC1)c1ncoc1-c1ccc2ccccc2c1 5002088 HFUMRCVIBAGCGC-UHFFFAOYSA-N 363.461 4.101 0 40 FIAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OC 5558145 OZHKJEJVLNPNPW-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB CC[C@H](C(=O)O[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1)c1ccccc1 5640792 JGLLORJGMMGZKF-WFASDCNBSA-N 370.474 4.399 0 40 FIAB O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(Cl)cc1 5675359 XPZGAHSMJALPNE-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccccc3)cc2)cc1 6479873 CCHQRKYRFZQTNS-UHFFFAOYSA-N 365.454 4.221 0 40 FIAB CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C 6647158 LEMMGLSEUZYGGD-ZROIWOOFSA-N 368.260 4.466 0 40 FIAB Cc1cccc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)c1 6781142 UUCFGNJHSBFAEZ-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C 8003753 XPZOGBSQVHPWHY-LJQANCHMSA-N 364.848 4.413 0 40 FIAB Cc1cc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)on1 8161064 WKAYUPVRSNAOFZ-UHFFFAOYSA-N 352.419 4.424 0 40 FIAB Cc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)on1 8330736 SNCNVSJPUZKLEQ-UHFFFAOYSA-N 356.765 4.108 0 40 FIAB Cc1cc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)c(C)o1 8342463 CWGPHDBXCZATIR-UHFFFAOYSA-N 371.824 4.405 0 40 FIAB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(Br)o2)S1 8416108 AWMKSLNIMHGEOO-WQLSENKSSA-N 363.236 4.433 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(C)cc1 8477839 ADQZDAJMRCQQNX-GOSISDBHSA-N 361.482 4.341 0 40 FIAB COc1cc(CNc2ncnc3c2oc2ccccc23)cc(OC)c1OC 9313536 IVBVGFYGSLOUJG-UHFFFAOYSA-N 365.389 4.014 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nccn2C)cc1 9338044 KFHWKFMHMWWNTP-UHFFFAOYSA-N 353.447 4.252 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1OC 10039224 DQLLXGYTFIEVSX-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCCc2ccccc21 10449626 UMNLYBFXWKLPKJ-UHFFFAOYSA-N 356.274 4.276 0 40 FIAB COC(=O)c1c(NC(=O)Cc2ccc(C)c(C)c2)sc2c1CCCC2 10702679 JBRISDNCFZZDEL-UHFFFAOYSA-N 357.475 4.212 0 40 FIAB Cc1cc2ccccc2n1CC(=O)OCc1csc(-c2ccccn2)n1 10721997 PDBSQGBHNYSJOS-UHFFFAOYSA-N 363.442 4.212 0 40 FIAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N3CCc4sccc4C3)c2C)no1 10924234 TWLKHGGRXFRKOM-SNAWJCMRSA-N 367.474 4.050 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nc3ccccc3s2)c1 10964411 WCCOKZQCEMAVRH-NSHDSACASA-N 374.487 4.433 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1cc2c(cc1Cl)OCCCO2 11003274 SDZZTZYGFWKGTI-UHFFFAOYSA-N 368.216 4.172 0 40 FIAB CCn1cncc1CN(Cc1ccccc1)C1CC(C)(C)NC(C)(C)C1 12116751 LFZDXMJGTZXRMM-UHFFFAOYSA-N 354.542 4.214 0 40 FIAB C[C@@H](C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1 12220883 ALLHXSNQHKKSSI-UTKZUKDTSA-N 359.473 4.229 0 40 FIAB CCCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccc2nccnc2c1 12420815 LKLFGKVLIGKCNC-OAQYLSRUSA-N 374.444 4.116 0 40 FIAB CN(C)c1ccc(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1 12422188 QBZWVMFCCHMVOZ-UHFFFAOYSA-N 355.825 4.242 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1OC(F)F 12771307 HATBWSQRUPAZNA-GFCCVEGCSA-N 351.349 4.011 0 40 FIAB Cc1nc2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2o1 12771912 KVGQOCCFZGQVAA-UHFFFAOYSA-N 358.463 4.479 0 40 FIAB Cc1ccc(OCc2nnc(-c3cccs3)o2)c(Br)c1 14095646 SWJGGQNFVCTYDF-UHFFFAOYSA-N 351.225 4.448 0 40 FIAB Nc1cc(C(=O)OCc2nc3ccccc3n2C(F)F)ccc1Cl 14902212 HNKCJHPJIJSJMQ-UHFFFAOYSA-N 351.740 4.024 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CN(C)CCOc1ccccc1Cl 15103297 JLAVPPZACVYYTI-UHFFFAOYSA-N 367.276 4.251 0 40 FIAB CCc1ccccc1NC(=O)c1cc(OC)c(Br)c(OC)c1 15604613 UUPVLXYKLSYSRQ-UHFFFAOYSA-N 364.239 4.281 0 40 FIAB CCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)c2cccnc12 15840823 SZDFIUKGGXXBBY-UHFFFAOYSA-N 350.418 4.268 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)CCCCCC2 18155578 BEZCYCHYVDHSPN-UHFFFAOYSA-N 357.475 4.408 0 40 FIAB COc1ccccc1CN(C)C(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20104823 KGVBTOQOODDKCY-GOSISDBHSA-N 366.505 4.199 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20451518 ZYMLVOFWEXMJSZ-UWJYYQICSA-N 371.477 4.053 0 40 FIAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 21358043 LSJOVPIGIWCRSL-SECBINFHSA-N 354.189 4.128 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1ccc(OC)c(OC)c1 22525316 GHICXZDIYGEVJE-SFHVURJKSA-N 371.477 4.137 0 40 FIAB Cc1cccc(-n2ccnc2SCC(=O)c2ccc3c(c2)OCO3)c1C 26047288 VBDMCZNUOGDNSQ-UHFFFAOYSA-N 366.442 4.193 0 40 FIAB CN(C)CCCNCC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1 27579157 RCOLLYUUTDLOOY-NRFANRHFSA-N 366.977 4.389 0 40 FIAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ncc(Cl)cc2Cl)o1 28243203 FYOKFBOBKWEPHT-UHFFFAOYSA-N 366.204 4.429 0 40 FIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)CCO4)c12 31374646 OWLNSUYPGBXNND-UHFFFAOYSA-N 371.396 4.385 0 40 FIAB CC[C@@H](NC(=O)COc1ccc(F)cc1)c1ccccc1OC(F)F 31756746 MZTDTNWRUCYOGF-OAHLLOKOSA-N 353.340 4.073 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)c3cccc(F)c3F)c2C)c1 32610374 BPOCPWZGYXACAG-UHFFFAOYSA-N 371.387 4.087 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 32907751 RMCAPZKUZNJJJS-GJZGRUSLSA-N 366.383 4.430 0 40 FIAB Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(F)cc3)[nH]c12 33063747 SSKLCQXQBDEVQO-UHFFFAOYSA-N 370.449 4.156 0 40 FIAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 36635880 BNVQBRHAOKXJNI-OAHLLOKOSA-N 363.244 4.300 0 40 FIAB CCOc1ccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39761049 QBHVDKCUDKPPSS-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(-c2cccc(F)c2)no1 40090256 ASPAQWBUPRVZHJ-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@@H]1c1ccsc1 40107773 PBTRRCLRPDRBNR-RBUKOAKNSA-N 357.475 4.283 0 40 FIAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Oc1ccc(Cl)cc1 40845378 BUNLZJBBDDYASB-CQSZACIVSA-N 355.615 4.177 0 40 FIAB CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)cc2F)c1 58201086 IYGDBZVLPMZDIH-UHFFFAOYSA-N 366.795 4.351 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 64981736 OJGABVXAXOJIIB-MRXNPFEDSA-N 355.434 4.358 0 40 FIAB Cc1ccc2oc(C(=O)N[C@@H](C)c3cccc(N4CCCC4=O)c3)cc2c1 65830974 CQQYVNNCTOZRLN-HNNXBMFYSA-N 362.429 4.359 0 40 FIAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1cccc(O)c1)CC(O)=N2 71282781 FUHGUFGBJYYGAU-INIZCTEOSA-N 355.438 4.291 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C=O)C1CCCC1 72215654 BMYCPYOPCMGEHN-SFHVURJKSA-N 373.497 4.449 0 40 FIAB O=C1CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3C(F)(F)F)ccc2N1 84502161 GVKOVCIVEXWZDX-HUUCEWRRSA-N 374.362 4.332 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N(Cc1ccoc1)Cc1cccs1 90612237 UFTKIQQENQNFNZ-UHFFFAOYSA-N 356.403 4.304 0 40 FIAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccc2ccccc12 95479426 JCDTZECISZJJRH-KRWDZBQOSA-N 353.447 4.335 0 40 FIAB COc1ccccc1C[C@H](C)N(C)C(=O)c1cnc2ccc(F)cc2c1 95976156 CEPVRBCALDUFKS-AWEZNQCLSA-N 352.409 4.086 0 40 FIAB Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)C2)cc1 100314126 URIBYUVIRLXKST-UHFFFAOYSA-N 353.472 4.490 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)CCC(=O)O 105365160 YJPIDPAGJSWWBE-QUXXCFOZSA-N 372.461 4.025 0 40 FIAB C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 107401978 NFUWUQLLBSQBLH-JTQLQIEISA-N 370.758 4.175 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCC(C)C)s1 223705483 JUCJJLCJWXTKEW-ZDUSSCGKSA-N 369.487 4.221 0 40 FIAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 224419742 NNAOUKOXDPFPMI-IAGOWNOFSA-N 355.463 4.459 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@H]2CCCc3ccccc32)c1 225460007 LMJJAWUCXSDOQB-KRWDZBQOSA-N 354.475 4.146 0 40 FIAB COC[C@@H](C)Oc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1Cl 225638853 YPIWGANFFSXICF-PJIJBLCYSA-N 369.889 4.288 0 40 FIAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NC1CCCCC1 225802416 UQIQLJCYPYKEHY-UHFFFAOYSA-N 367.371 4.137 0 40 FIAB CC(C)CSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 225866389 WUKCRBCPDKPKDZ-UHFFFAOYSA-N 373.503 4.457 0 40 FIAB O=C(O)c1cnc(N2CCC[C@H]2c2ccccc2)nc1CCc1ccccc1 257292642 QMKGCARGPFGKKU-NRFANRHFSA-N 373.456 4.302 0 40 FIAB c1ccc(CCN2CCC[C@]3(CC2)CN(Cc2cccs2)CCO3)cc1 306123117 AEXCURUVLIIXPW-QFIPXVFZSA-N 370.562 4.048 0 40 FIAB Cc1cc(C(=O)[C@@H](Br)CBr)cc(C)c1Cl 382711732 ZHPFFDXGNJHAFI-VIFPVBQESA-N 354.469 4.298 0 40 FIAB Nc1c(C(=O)c2ccccc2)sc2c1[C@@H](c1cccs1)CC(=O)N2 409134909 OTNGLADBQXXISP-LLVKDONJSA-N 354.456 4.097 0 40 FIAB Cc1cccc(CSCCNS(=O)(=O)c2c(C)cc(C)cc2C)c1 409166053 CLNDJBYZVIETRC-UHFFFAOYSA-N 363.548 4.132 0 40 FIAB Cn1cncc1-c1noc(C(C)(C)Cc2ccc(C(F)(F)F)cc2)n1 517262084 WYANSUUYSCMRRU-UHFFFAOYSA-N 350.344 4.009 0 40 FIAB Cc1cc(CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)n(C)n1 560077024 ROQPQFXWBJCFRO-UHFFFAOYSA-N 366.412 4.161 0 40 FIAB O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1 614255650 UFLFCLSVGKMRAG-HKUYNNGSSA-N 357.404 4.401 0 40 FIAB O=C(C[C@@H]1CCc2ccccc21)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 672205125 VOGMLESWUBPBQX-MALNDZBISA-N 361.485 4.138 0 40 FIAB C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCOCC2(CCCC2)C1 681475468 DNKISEXBGNCVLI-AWEZNQCLSA-N 361.873 4.344 0 40 FIAB Cc1cccc2sc(N3CCN(c4nc5ccc(F)cc5o4)CC3)nc12 1889090961 BOQAVOZJZDWCMX-UHFFFAOYSA-N 368.437 4.212 0 40 FIAB COc1ccc(CN2C(=O)CCC23CCN(CC2CCCCC2)CC3)cc1 2055819369 SIPSTTFHPPWFPL-UHFFFAOYSA-N 370.537 4.233 0 40 FIAB O=C(CCSc1nnc(-c2cccc(Cl)c2)o1)N1CCCCCC1 645172 AAQHFPDCACOGRD-UHFFFAOYSA-N 365.886 4.275 0 40 FIAB Cn1c(-c2ccco2)nn(CN2CCC(c3ccccc3)CC2)c1=S 709766 WJOQPPHMVDDYTK-UHFFFAOYSA-N 354.479 4.048 0 40 FIAB O=C(NC[C@H]1COc2ccccc2O1)c1sc2ccccc2c1Cl 1035138 MSWPSTAQLHBLMC-NSHDSACASA-N 359.834 4.125 0 40 FIAB Cc1cc2ccccc2n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc12 1223179 SUXXNJBESWCQBU-HUUCEWRRSA-N 368.506 4.073 0 40 FIAB CCOC(=O)C1=C2c3ccc4cc(OC)ccc4c3CC[C@@]2(C)C(=O)C1 1729292 RZSZXZSOWKOZIA-QFIPXVFZSA-N 350.414 4.090 0 40 FIAB CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2446035 LQDKWJYERZJLFT-JLQMKUNGSA-N 362.473 4.113 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)s1 2446354 VHYDYGWLLBEYCC-UHFFFAOYSA-N 351.840 4.182 0 40 FIAB CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2459560 DSAYHCOBZZOFGK-JTQLQIEISA-N 352.912 4.425 0 40 FIAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 2735968 BUCHHVOLSDDWQM-IBGZPJMESA-N 356.897 4.211 0 40 FIAB CC(C)CNC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 3300833 DQBIVLLPSGEOIK-UHFFFAOYSA-N 364.540 4.269 0 40 FIAB CCN(CC)c1ccc(NC(=O)CSc2ccc(NC(C)=O)cc2)cc1 3306199 AMQHKFMYGXWSLA-UHFFFAOYSA-N 371.506 4.222 0 40 FIAB Cc1ccc(SCCOC(=O)c2ccc(N3CCCC3=O)cc2)cc1 3413805 FLFUWZBBVLZHQG-UHFFFAOYSA-N 355.459 4.071 0 40 FIAB CCCOc1ccc(NC(=O)CCC(=O)N[C@@H](C)c2ccccc2)cc1 4615606 GXFHOEWQBTUNMD-INIZCTEOSA-N 354.450 4.072 0 40 FIAB Cc1cc(Br)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 4704452 NFOXLCDANRBSQO-UHFFFAOYSA-N 374.687 4.353 0 40 FIAB O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(Cl)c(Cl)c1 4785338 ONJFCEAQRMEHQX-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 4979793 GAVPCCOHGFLQFR-HWWQOWPSSA-N 369.914 4.160 0 40 FIAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(F)c(F)c2)CSC3)c1 5077603 WVTUJZUQCXJZRB-UHFFFAOYSA-N 371.412 4.458 0 40 FIAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc2c(s1)CCC2 5308116 VNGDTCPEEBYPCX-UHFFFAOYSA-N 360.822 4.297 0 40 FIAB Cc1ccc(Cn2nc(-c3cccc(Br)c3)ccc2=O)cc1 5388400 IDDOSFLZMKBWPN-UHFFFAOYSA-N 355.235 4.030 0 40 FIAB COc1cc(C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1Cl 6433375 KFDZWDWVLAKLSJ-UHFFFAOYSA-N 366.244 4.473 0 40 FIAB C[C@@H](NC(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1 6625821 POYCJIPKQDGEHD-CYBMUJFWSA-N 357.251 4.281 0 40 FIAB O=C(CSc1nccn1-c1cccc(F)c1)c1c[nH]c2ccccc12 6657476 QBHNZGPBUUETLE-UHFFFAOYSA-N 351.406 4.468 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc3ccccc3c2)c1C 7223804 IQPAIOCKTCVHBV-CQSZACIVSA-N 350.418 4.255 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 7668702 ZGDTXCWEBROJKR-OXQOHEQNSA-N 360.523 4.326 0 40 FIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Oc1ccc(-c2nnco2)cc1 7779864 MHVYWAACZHNNOO-RUDMXATFSA-N 360.291 4.374 0 40 FIAB O=c1c2ccccc2nc(SCCCOc2ccc(F)cc2)n1C1CC1 7861887 KNQAWHRRNAOSRI-UHFFFAOYSA-N 370.449 4.432 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 8050465 DAATXLAKSMGWNK-INIZCTEOSA-N 368.477 4.238 0 40 FIAB Cc1cc(NC(=O)Cc2ccccc2)cc(C)c1I 8072181 PGBQTTJMXVOBCJ-UHFFFAOYSA-N 365.214 4.089 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2cc(Cl)ccc2o1 8074635 NFPNYGHWCDWWLM-OAHLLOKOSA-N 358.825 4.246 0 40 FIAB Cc1cccn2cc(CSc3nnc(-c4ccco4)n3CC(C)C)nc12 8710176 ZZFKCQNYGSENGR-UHFFFAOYSA-N 367.478 4.443 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ncc(-c3ccc(Cl)cc3)o2)cc1 9322363 OWRAWCQUTARZMJ-UHFFFAOYSA-N 370.792 4.424 0 40 FIAB COc1ccc(C)cc1NC(=O)COC(=O)c1occc1-c1cccs1 9641964 LVRSRTXVUKRBJU-UHFFFAOYSA-N 371.414 4.121 0 40 FIAB COc1ccc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1Cl 10958884 OYAAAEGSFKGWNU-UHFFFAOYSA-N 358.829 4.235 0 40 FIAB COc1ccccc1C1(O)CCN(Cc2c(C)[nH]c3ccc(F)cc23)CC1 12328488 UUFXSVLGLXSVKU-UHFFFAOYSA-N 368.452 4.108 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2cnc(-c3ccccc3F)s2)c1 12388990 MBEMUNYCYZAKTJ-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 12738600 XDBJWAFEBCUHJX-AOOOYVTPSA-N 355.809 4.025 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)cc1 12855816 QVILXCXDLHHDLP-FQEVSTJZSA-N 372.896 4.192 0 40 FIAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)CC)cc1 13660209 NYWNOOFSOCXBAF-UHFFFAOYSA-N 364.445 4.178 0 40 FIAB O=C(Nc1cccc2cccnc12)c1nn(-c2ccccc2)c2c1CCC2 14093082 IJTJDNKUNLATMS-UHFFFAOYSA-N 354.413 4.162 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N[C@H](c2cccs2)C(C)C)cc1 14093278 JVZREBQFKJNOKW-SFHVURJKSA-N 362.520 4.312 0 40 FIAB COc1ccc(-c2nnc(SCc3ncon3)n2C2CCCCC2)cc1 14182771 DNRVDNXAICCUDM-UHFFFAOYSA-N 371.466 4.134 0 40 FIAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccncc3)cc2)o1 14334438 NAMVPSWYLHGOSQ-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(C)cc2C)cc1OCC 15966369 FLDRCWPTIYSXTO-KRWDZBQOSA-N 371.477 4.357 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCCSCc1ccccc1 18105634 GZXOIJBXUTVLME-UHFFFAOYSA-N 351.471 4.268 0 40 FIAB Cc1ccccc1CC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19237077 SKNMAQJMDWBFFF-FQEVSTJZSA-N 360.461 4.076 0 40 FIAB CN(C)C1CCC2(CC1)CN(C(=O)C1CCCCC1)Cc1ccccc1O2 19583976 YNQOZXGMGXATOZ-UHFFFAOYSA-N 370.537 4.231 0 40 FIAB Cc1ccccc1[C@@H]1CC(=O)c2cnc(NCCc3ccccc3)nc2C1 20102261 HTNCNUJJHZVRHS-SFHVURJKSA-N 357.457 4.352 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1ccc(OC)cc1 20462342 LZWPIDGXRKXXKI-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB CCCCOc1ccc([C@H](O)[C@@H](CN2CCOCC2)c2ccccc2)cc1 20790289 AFMFNWNIOFULQN-GOTSBHOMSA-N 369.505 4.015 0 40 FIAB CCCCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCC1 21148702 BJWTXMSEHTUWIB-LJQANCHMSA-N 358.526 4.346 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1 21355060 BMCXWWNTBBMGMK-UHFFFAOYSA-N 356.447 4.124 0 40 FIAB CCn1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c2ccccc21 22234528 GIANUJMZBPMSTN-CYBMUJFWSA-N 354.837 4.166 0 40 FIAB CCCCOc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)cc1 27663298 LBWIPDRVNXQEMP-HXUWFJFHSA-N 358.526 4.346 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(O)N1 28465513 LDDVGFMXBQIODM-GOSISDBHSA-N 365.820 4.233 0 40 FIAB Cc1ccc(-c2nc(CSc3nnnn3Cc3ccccc3)cs2)o1 32329726 GWNKAQKTAFVQGL-UHFFFAOYSA-N 369.475 4.039 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 32412496 LRLNKXRIGRRVJB-QWHCGFSZSA-N 363.841 4.002 0 40 FIAB COc1ccc(C(C)=O)cc1CSCc1nc(-c2cccs2)no1 32778664 MWGRYNYPKUQAPX-UHFFFAOYSA-N 360.460 4.443 0 40 FIAB C[C@H](Sc1ccc(C(=O)N2CCCC2)cn1)C(=O)c1ccc(Cl)cc1 32789415 PKTLUMXUWKYNCB-ZDUSSCGKSA-N 374.893 4.335 0 40 FIAB Cc1c(C(=O)NC2CCCCC2)cnn1-c1ccccc1C(F)(F)F 32906226 LLVWORGHSNVWGX-UHFFFAOYSA-N 351.372 4.262 0 40 FIAB CCc1nnc(NC(=O)CSc2nc3ccc(C)cc3cc2CC)s1 35288865 UTTZRUKQKWTJOV-UHFFFAOYSA-N 372.519 4.250 0 40 FIAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccccc2)C1 38833920 MEDBCWDZWKZKCZ-MRXNPFEDSA-N 373.294 4.300 0 40 FIAB O=C(CCCc1nnc(-c2ccccc2)o1)NCc1cccc(Cl)c1 40092932 SMPUSMMLYROTLI-UHFFFAOYSA-N 355.825 4.029 0 40 FIAB CCC1=Nc2sc(CC)cc2[C@H](SCC(=O)Nc2nccs2)N1 41090632 ZRLXRJKBCTUIMK-ZDUSSCGKSA-N 366.537 4.181 0 40 FIAB O=C(CCCc1ccccc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 47715938 XERZYSIEFNOCAC-UHFFFAOYSA-N 372.459 4.068 0 40 FIAB CC1=NN(c2ccc(C(=O)Nc3ccccc3-n3nc(C)cc3C)cc2)CC1 49675512 GOFBZLOXLMMEOS-UHFFFAOYSA-N 373.460 4.327 0 40 FIAB CC(=O)Nc1c(C)ccc(NC(=O)CC2(CC(=O)O)CCCCC2)c1C 55151228 LGJIUXLBAVKUKB-UHFFFAOYSA-N 360.454 4.016 0 40 FIAB CC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1ccc(Cl)cc1 57614011 FVIMISZPXIYFDA-UHFFFAOYSA-N 369.900 4.284 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)c1 59227283 UNIRCWRHWSFXEN-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCOC(=O)C(=O)N1c2ccccc2[C@](C)(c2ccc(C)cc2)CC1(C)C 59428104 ZEEFYORCIBLCES-QHCPKHFHSA-N 365.473 4.379 0 40 FIAB O=C(NC1CCN(c2nc3ccccc3s2)CC1)N1CCCCCCC1 62539809 VTKXYYMBYAUTBG-UHFFFAOYSA-N 372.538 4.241 0 40 FIAB CCc1nc(C)c(C(=O)NC(C)(C)c2ccc(Br)cc2)s1 64916944 NGMWLMOAIJVJSH-UHFFFAOYSA-N 367.312 4.442 0 40 FIAB COc1ccc(N(C(=O)c2cc3c(C)nn(C)c3s2)[C@H](C)C2CC2)cc1 69372773 WHFOPKRWBIJRTC-CYBMUJFWSA-N 369.490 4.397 0 40 FIAB O=C(NCC1(O)CCCCCC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 72290234 GXNBJEDHLYEBQX-HUUCEWRRSA-N 355.400 4.010 0 40 FIAB Cc1cc(-c2cnc(NCc3cccs3)nc2-c2cccnc2C)on1 72336752 WFFSRPKZGDKTCA-UHFFFAOYSA-N 363.446 4.484 0 40 FIAB COCCOCCC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@H]1C 74338810 IYHCZWMAVUPOSN-KKVAFCGZSA-N 361.507 4.110 0 40 FIAB COc1ccc(-c2nc(Cl)cc(-c3ccc(OC)c(OC)c3)n2)cc1 78401230 RLQLEEICPUMATN-UHFFFAOYSA-N 356.809 4.490 0 40 FIAB CCOC(=O)CN(Cc1ccccc1)c1nc(C(F)F)nc2ccccc12 89983751 YODLSKXTOYVMER-UHFFFAOYSA-N 371.387 4.137 0 40 FIAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)c1ccc2ccccc2c1 95349625 FYKXAJWEGUGZOD-FQEVSTJZSA-N 358.485 4.134 0 40 FIAB O=C(Nc1ccccc1)N1CC[C@@]2(CCCN2Cc2cccc(F)c2)C1 96071093 MZGIYTXTUGIWDE-NRFANRHFSA-N 353.441 4.098 0 40 FIAB CCCN1CCC(c2cc3c(ncn3C(C)C)c(-c3cnn(C)c3)n2)CC1 96155670 CHLFFZJXAYRZNX-UHFFFAOYSA-N 366.513 4.002 0 40 FIAB CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3C2CCCC2)c1 100424322 XZBXXWDSLSEQTN-NHCUHLMSSA-N 369.509 4.339 0 40 FIAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2 100425895 RCBWQPNTGIJOJM-SFTDATJTSA-N 370.537 4.277 0 40 FIAB COc1cc(C)ccc1Oc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cn1 102167963 CEIQNQUDZMEXRQ-ZOBUZTSGSA-N 350.418 4.342 0 40 FIAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2cccc(C(F)(F)F)c2)C1=O 102240187 TWASJFFJZFMHEP-OAHLLOKOSA-N 362.351 4.066 0 40 FIAB COC(=O)c1cnn2c1N=C1CCCC(O)=C1[C@@H]2c1ccc(SC)cc1 102838302 WQGIWRNLYZICOO-KRWDZBQOSA-N 369.446 4.063 0 40 FIAB CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N)no2)cc1C#N 117377444 WGUXQKIWMYYPQI-SFHVURJKSA-N 360.417 4.008 0 40 FIAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1 138406402 LLTIXBKCWYCAAS-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB COc1cc(CNC(=O)[C@@H](C)Oc2cccc(C)c2C)ccc1OC(C)C 216392084 JBXKNZLJSXVGIO-QGZVFWFLSA-N 371.477 4.183 0 40 FIAB Cc1ccccc1[C@@H]1CCN(C(=O)Nc2ccc3c(c2)OCO3)CCS1 219296503 VMYMSADXLBJGBO-IBGZPJMESA-N 370.474 4.436 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 222880952 BDGKAYVOKQRDRS-HXUWFJFHSA-N 368.477 4.183 0 40 FIAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccccc2)cc1 223396778 SELFTMWUPOVEJP-UHFFFAOYSA-N 357.519 4.413 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NCCCc2ccccc2)cn1 223963534 IDAXKIVNFFYRHW-KRWDZBQOSA-N 368.550 4.380 0 40 FIAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224640292 JDLPABZKIATBTL-UHFFFAOYSA-N 373.396 4.238 0 40 FIAB Cc1ccc(CSCCNC(=S)Nc2c(F)cccc2F)cc1 225293335 RZTWKJOUKGDGSC-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1C 225647749 FZXDCVAAYNALGJ-UHFFFAOYSA-N 373.456 4.189 0 40 FIAB COc1cccc(-c2nnsc2C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 225768364 IOZVUZWWZKICAD-LLVKDONJSA-N 373.865 4.358 0 40 FIAB COC1(COc2cccc(Cl)c2)CCN(Cc2ccc(O)cc2)CC1 257212756 CEUSZVGPMBVMKL-UHFFFAOYSA-N 361.869 4.106 0 40 FIAB Cc1csc(-c2ccc(C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)n1 257221055 DNHYDSVUZFUQGL-HNNXBMFYSA-N 359.495 4.313 0 40 FIAB O=C(NCCOc1ccccc1)N[C@@H](c1ccsc1)c1cccs1 390827260 VPIPDWNJSIQMHV-KRWDZBQOSA-N 358.488 4.277 0 40 FIAB Cc1cccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)c1C 408708098 GTYUVHIAEATIPO-UHFFFAOYSA-N 372.468 4.190 0 40 FIAB Cc1nccc(CCC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2c2ccccc2)n1 1152810544 CAIWYBVTRSAANZ-WOJBJXKFSA-N 351.494 4.196 0 40 FIAB CCN(Cc1occc1C)C(=O)c1ccc2c(c1)nc(O)n2C1CCCC1 1570406517 KIOOMVKTGUBPIY-UHFFFAOYSA-N 367.449 4.421 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)cn1 1615153808 CRFJJMYCIJXRPB-PMACEKPBSA-N 367.468 4.191 0 40 FIAB Cc1cccc(Cl)c1N1Cc2cc(Br)ccc2OCC1=O 1889281282 WCGJCSCAZPVIJL-UHFFFAOYSA-N 366.642 4.337 0 40 FIAB Cc1ccc(C(=O)N[C@H](Nc2ccccc2C)C(=O)c2ccccc2)cc1 631798 ZFHDSXWUDZIRQP-QFIPXVFZSA-N 358.441 4.354 0 40 FIAB C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc4ccccc34)CC2)C1 778780 SAPLWSNUXPSAOS-SFHVURJKSA-N 350.506 4.310 0 40 FIAB CC[C@H]1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 968842 QRPBJKQGLAQFCC-ZDUSSCGKSA-N 365.502 4.323 0 40 FIAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 1092464 MMRNAVJZSRBQFX-YVLHZVERSA-N 373.405 4.079 0 40 FIAB COc1ccc(Cc2nc(C)cc3cc(OC)c(OC)cc23)cc1OC 1557421 XVMRBCIOZSHWDS-UHFFFAOYSA-N 353.418 4.168 0 40 FIAB biogenic CCc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 2079623 NTBRWYQLTCMGDZ-UHFFFAOYSA-N 367.445 4.011 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(Br)c1)C3 2116964 FJVUTIBPDBYGTD-UHFFFAOYSA-N 372.218 4.220 0 40 FIAB biogenic CN(C)CCCNc1nc(-c2ccc(Cl)cc2)nc(Cl)c1Cl 2380470 KAOHTKKIBFPNBI-UHFFFAOYSA-N 359.688 4.467 0 40 FIAB COc1ccccc1-n1cnnc1SCCOc1ccc(Cl)cc1 2627034 HCHRPUDUFHEQQR-UHFFFAOYSA-N 361.854 4.100 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)NCc2cccc(Cl)c2)c1 2633779 UQSCNTWEOZTKSR-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB COc1ccc(NC(=O)CSc2c(C)[nH]c3ccccc23)c(OC)c1 2718330 GPDRHHXSOCGUSR-UHFFFAOYSA-N 356.447 4.224 0 40 FIAB CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cccs1 3446400 CZEWLVOVCBLVML-UHFFFAOYSA-N 350.487 4.086 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)NCC1CCCCC1 3519989 DAJBHWNDWFHVBG-UHFFFAOYSA-N 370.478 4.007 0 40 FIAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cc2cccc(C)c2nc1Cl 4275557 GXDVASTWKAXZBA-MRXNPFEDSA-N 353.809 4.487 0 40 FIAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1C(C)C 4736091 PUBYVTXYWMQUIM-UHFFFAOYSA-N 370.478 4.467 0 40 FIAB c1csc(-c2nnc3sc(CCc4nc5ccccc5s4)nn23)c1 4988663 OXVWPFOYGWZDGF-UHFFFAOYSA-N 369.500 4.309 0 40 FIAB Cc1ccc2c(CSc3nc(-c4cccs4)n[nH]3)cc(=O)oc2c1 5017324 QEXAGDNWAWOMSE-UHFFFAOYSA-N 355.444 4.240 0 40 FIAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc(OC)c1 5131035 LYAKMTRKURAEPO-NTUHNPAUSA-N 355.415 4.329 0 40 FIAB C[C@@H](NC(=O)/C=C/c1cnc2ccccc2n1)C12CC3CC(CC(C3)C1)C2 5825439 CZBLHNOMJXRUMF-SAGSPMCPSA-N 361.489 4.364 0 40 FIAB CCCC(=O)c1cn(CC(=O)Nc2ccc(OC)cc2)c2ccccc12 6245875 RILDKSQBWTZTKN-UHFFFAOYSA-N 350.418 4.271 0 40 FIAB Cc1nnc(S/C(=C\c2ccc(OC(C)C)c3ccccc23)C(=O)O)[nH]1 6588242 VIXQFYWLUSRRNZ-YVLHZVERSA-N 369.446 4.271 0 40 FIAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C1=O 6657389 XYLWHMPHWFKZPQ-LFIBNONCSA-N 371.414 4.180 0 40 FIAB Cc1ccc(NC(=O)NC(=O)c2c(C)cc(Cl)nc2Cl)c(C)c1 6668345 PTSZZYSHOMVLIP-UHFFFAOYSA-N 352.221 4.276 0 40 FIAB CCSc1nnc(NC(=O)c2ccccc2OCc2ccccc2)s1 6947697 LPOFRGJEYZRUQL-UHFFFAOYSA-N 371.487 4.481 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 7247567 HBFXJTDLNMSOHH-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN(c2nc3ccccc3s2)CC1 7613731 ZCWFNCAFCJRIQB-UHFFFAOYSA-N 363.442 4.005 0 40 FIAB Brc1ccc(OCCSc2nnc(NC3CC3)s2)cc1 8074224 VWNNQTYAEHHOLY-UHFFFAOYSA-N 372.313 4.046 0 40 FIAB Cc1nc2cc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)ccc2o1 8369306 WRRIBJQQUBMLTL-UHFFFAOYSA-N 358.401 4.452 0 40 FIAB C[C@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(F)cc2)n1C 8388715 CDAZFYSJIAJZEU-ZDUSSCGKSA-N 371.437 4.069 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)c3cc(F)ccc3F)n2)cc1 8484022 NKDUIXWDCZFLFA-UHFFFAOYSA-N 359.401 4.287 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 9313502 SGAZSWJFWPOGNV-AWEZNQCLSA-N 352.463 4.005 0 40 FIAB COCc1c(C(=O)Nc2cc3c(cc2Cl)OCO3)oc2ccccc12 9746161 QKQGAWATWRIYQO-UHFFFAOYSA-N 359.765 4.214 0 40 FIAB CCn1nccc1C(=O)Nc1sccc1-c1nc2ccccc2s1 11696000 XUSBHRJMGKMZFG-UHFFFAOYSA-N 354.460 4.494 0 40 FIAB COc1ccc(C[C@@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@@H]23)cc1 11866655 PGNOGIIKLDFGGD-FYYLOGMGSA-N 370.452 4.111 0 40 FIAB FC(F)(F)c1cc([C@@H]2CN(Cc3cccnc3)C[C@H]2c2ccccc2)n[nH]1 12129284 UFPZVKWQNYFYAZ-DLBZAZTESA-N 372.394 4.207 0 40 FIAB Cc1nccc(-c2ccc(-c3noc(CN4CCCCCCC4)n3)cc2)n1 12185948 JYGAUKMZFLYLQP-UHFFFAOYSA-N 363.465 4.268 0 40 FIAB CCOC(=O)c1cc2cc(NC(=O)c3ccc(N(C)C)cc3)ccc2s1 12410885 LXJBHSWJPZDNOC-UHFFFAOYSA-N 368.458 4.396 0 40 FIAB COc1cccc(Nc2nnc(S[C@@H]3Cc4ccccc4[C@H]3O)s2)c1 12566979 GFTYDNGXSOUZTH-HZPDHXFCSA-N 371.487 4.041 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1 12585221 UXXFBWSDNJJISL-UHFFFAOYSA-N 373.503 4.006 0 40 FIAB COc1ccccc1C(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1 12921474 USRGYUQKELHQSO-UHFFFAOYSA-N 363.461 4.490 0 40 FIAB COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2 14819597 HCBAFFVITJAXJE-YCRPNKLZSA-N 354.402 4.225 0 40 FIAB biogenic,in-vitro O=C(NCCc1ccc(C(F)(F)F)cc1)c1cnc(Cl)c(Cl)c1 15316482 ZVTKDUBNSAODGV-UHFFFAOYSA-N 363.166 4.380 0 40 FIAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F 15415697 QJZVYADPCBBDRT-LLVKDONJSA-N 371.790 4.176 0 40 FIAB Cc1cc(C2=N/C(=C\C=C\c3ccco3)C(=O)O2)ccc1Br 16282094 OXRABIUPLBNLPN-RPGBBNPCSA-N 358.191 4.251 0 40 FIAB COc1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 16954266 YTQFBJDAXIOBRQ-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB CCN1C(=O)Cc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 17288860 LGGRNWFXIBMMHD-UHFFFAOYSA-N 370.452 4.444 0 40 FIAB Cc1cccc(CN(CCCn2ccnc2)Cc2ccccc2Cl)n1 19236102 JNWRCUXGLAZYSD-UHFFFAOYSA-N 354.885 4.332 0 40 FIAB Cc1ccc(-n2cnc(C(=O)N(C)Cc3cccc4ccccc34)n2)cc1 19910523 XZQXUYCDOPZLFO-UHFFFAOYSA-N 356.429 4.001 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 20029976 CKEKUPJNEJQVBU-JTQLQIEISA-N 360.262 4.042 0 40 FIAB O=C(CCc1ccccc1Cl)Nc1nnc(Cc2ccccc2)s1 21565437 RLHNRQZEPFHGCO-UHFFFAOYSA-N 357.866 4.354 0 40 FIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccco1 21580621 AHPOOQYAOVHEBC-PKNBQFBNSA-N 359.385 4.483 0 40 FIAB CC(=O)Nc1ccc(CNC(=O)c2csc(-c3ccc(C)cc3)n2)cc1 22511634 MVTOUTGVSNRSQS-UHFFFAOYSA-N 365.458 4.007 0 40 FIAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1cccc(F)c1 23126025 RWKUVDZHELKPTM-UHFFFAOYSA-N 354.381 4.452 0 40 FIAB CN(CCOc1ccc(Br)cc1)C(=O)c1ccc2c(c1)CCC2 24034745 UFLVEZQEZXBEPY-UHFFFAOYSA-N 374.278 4.089 0 40 FIAB Cc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(C)C3)c(Cl)c1 24573154 ICRQGCGRSNAJOK-UHFFFAOYSA-N 365.864 4.437 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 24759768 LLKLJTSFRQDGTC-ZDUSSCGKSA-N 362.882 4.201 0 40 FIAB O=C(CCc1ccccc1Cl)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 28307391 LPKAQLMIUXSGGS-GOSISDBHSA-N 371.864 4.408 0 40 FIAB CCCCc1nnc(NC(=O)c2csc(Cc3ccccc3)n2)s1 30560948 ORXWUUTWEVLPJV-UHFFFAOYSA-N 358.492 4.180 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 30845976 RNIOPFMPUIMLNM-UHFFFAOYSA-N 365.864 4.287 0 40 FIAB CC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N(C)Cc2ccccc2)C[C@H]1C(C)C 30880121 RPGFNNNMLBIJJJ-FKBYEOEOSA-N 370.537 4.026 0 40 FIAB biogenic,in-vitro Cc1nc(NC(=O)c2ccccc2)sc1-c1nc(-c2ccccc2)no1 31812736 BHSNYTKVJAOPME-UHFFFAOYSA-N 362.414 4.421 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2C(F)(F)F)c1C 32854425 SAIOSIADVXDIMH-UHFFFAOYSA-N 369.339 4.089 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cc2ccccc2o1 32911593 URUSQMZSXKDWLV-UHFFFAOYSA-N 359.429 4.290 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33051810 LAVRXGKAVJBZNB-BUHFOSPRSA-N 355.459 4.055 0 40 FIAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2Cl)c1 33173663 MQLWTZFSYHRLPB-UHFFFAOYSA-N 365.260 4.267 0 40 FIAB COc1cccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)c1 36740522 DCZWVHUODNIZMH-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB COc1ccc(F)cc1C(=O)COC(=O)c1[nH]c2ccccc2c1Cl 40106433 ZLLMRHHAUANGRK-UHFFFAOYSA-N 361.756 4.009 0 40 FIAB Cc1[nH]c2c(C(=O)NCc3ccc(N4CCCCC4)nc3)cccc2c1C 40154794 CZMJAMCBONUAAR-UHFFFAOYSA-N 362.477 4.100 0 40 FIAB O=C(C1CCCC1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 44204381 OIXGUENQRMGSJL-CQSZACIVSA-N 359.470 4.240 0 40 FIAB Cc1noc(C2CCN(C(=O)c3sc4ccc(F)cc4c3C)CC2)n1 53455161 HJMRXGXIDFKPEV-UHFFFAOYSA-N 359.426 4.060 0 40 FIAB CC(C)Oc1ccc(NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 53820023 CRMZBRJZCCWZFZ-UHFFFAOYSA-N 355.419 4.037 0 40 FIAB Cc1ccc(/C=C/S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 59745722 LRWVVRFZKURNJI-VAWYXSNFSA-N 369.408 4.446 0 40 FIAB Cc1ccc(NCc2nc(-c3ccc(Br)s3)no2)cc1 70992028 NIIOTNKVEFIMSX-UHFFFAOYSA-N 350.241 4.481 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)Cc2ccc(OCC)cc2)cc1 72333719 CHGUKBUMHDYDSG-UHFFFAOYSA-N 369.461 4.152 0 40 FIAB Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H](C)Oc1ccccc1F 90592583 WBIMIQVHXGYMDV-CQSZACIVSA-N 370.449 4.341 0 40 FIAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C)N=O 100362884 YRZPDZKJZDPQIF-JBTHVSLGSA-N 374.525 4.253 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1C 100423691 GIVKAJNHLCKCON-QZTJIDSGSA-N 369.534 4.378 0 40 FIAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2nnnn2[C@H]1c1cccs1 101251443 FWFUTUAJDPDNBH-GOSISDBHSA-N 357.442 4.458 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 214249086 DRGUAIODEJABBM-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(OC)cc2)cc1 222892508 SNZPHXHRJLOOJJ-OAQYLSRUSA-N 355.478 4.164 0 40 FIAB O=C(NCCCN1CCc2ccccc2C1)C1(c2ccccc2)CCCC1 224289371 QVMDQLXKRJCQLY-UHFFFAOYSA-N 362.517 4.063 0 40 FIAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 225642541 GYGUQYXDHQPWGT-UHFFFAOYSA-N 372.317 4.434 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cccnc1-c1ccco1 225660554 WODYMDBRPUTUNO-UHFFFAOYSA-N 370.836 4.469 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OC)cc1C(=O)OCC 225796573 ULAJTKOTEIWZQV-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225818486 URHKKXOIYMYPOO-FQEVSTJZSA-N 365.470 4.040 0 40 FIAB S=C(Nc1ccc2c(c1)OCCO2)NC1(c2cccs2)CCCC1 225857939 VTXSTCHXCGNYKN-UHFFFAOYSA-N 360.504 4.275 0 40 FIAB O=C(CCCc1cn[nH]c1)N1C[C@H]2CC[C@H](Cc3cccc(Cl)c3)[C@H]2C1 257250222 JLPNKZAGIYPQDS-QWFCFKBJSA-N 371.912 4.113 0 40 FIAB Cc1cccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n1 257280227 OJZXKMMOEMIWKI-FQEVSTJZSA-N 361.445 4.336 0 40 FIAB Cc1noc([C@@H](C)N(C)C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)n1 581378921 XRARGGCOEBAAIM-SNVBAGLBSA-N 359.426 4.387 0 40 FIAB Cc1cc(N2CCC(Cc3cccnc3)CC2)nc(-c2cccs2)n1 1559152997 HDDIJRMCLPEJHC-UHFFFAOYSA-N 350.491 4.368 0 40 FIAB O=C(NCc1ccc(Cl)cc1)N[C@@H](c1cccs1)C1CCOCC1 1565522983 DLEDOPRCECXQRY-QGZVFWFLSA-N 364.898 4.369 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(-c2nc3c4ccccc4ncn3n2)cc1 1775970905 KKKMIXMOBPKEDB-UHFFFAOYSA-N 361.405 4.292 0 40 FIAB COc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 640023 XLBBKDGDSHTIOM-MRXNPFEDSA-N 374.440 4.439 0 40 FIAB O=C(CSCc1cccc(Br)c1)Nc1ccc(F)cc1 646352 BDEXLOUEXLIAKA-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB COc1ccc([C@H](OC(=O)c2cccs2)C(=O)NC2CCCCC2)cc1 1381184 GFKSHGALZSIDSJ-SFHVURJKSA-N 373.474 4.104 0 40 FIAB Cc1ccc(C(=O)OCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 1391267 VNUCULMRTSFYEC-UHFFFAOYSA-N 362.216 4.240 0 40 FIAB Cc1c(C(=O)CSCc2cccc(C(F)(F)F)c2)sc2ncnn12 1403500 RRCSDABKCAWXTI-UHFFFAOYSA-N 371.409 4.234 0 40 FIAB COc1ccc2[nH]cc([C@H](O)CN3CCC(Cc4ccccc4)CC3)c2c1 2296728 VPJGYORAHWGDBK-HSZRJFAPSA-N 364.489 4.165 0 40 FIAB COc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 2723660 YWZDHUSBBHFEOQ-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccc(Cl)cc3o2)cc1 3408627 OHGITHPCJDYLNM-UHFFFAOYSA-N 360.822 4.415 0 40 FIAB COc1ccc2oc(=O)c(C(=O)O[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)cc2c1 4291921 DZBWSUUMDFCORR-PJUBBZNESA-N 356.418 4.173 0 40 FIAB CCOc1ccccc1NC(=O)CCc1nc(-c2ccccc2C)no1 4384141 YPFXBJBCMGTUSX-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB COc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(C)cc3)s2)cc1 4392483 XXXCLZFKXNWIQD-UHFFFAOYSA-N 366.486 4.408 0 40 FIAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 4554886 WTZTUAZFGJCJAT-XMMPIXPASA-N 373.452 4.447 0 40 FIAB CCCCNc1nc(N)nc(Nc2ccc(Br)cc2)c1N=O 4707790 BNBNSXQIJSURCF-UHFFFAOYSA-N 365.235 4.175 0 40 FIAB O=C(c1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O 4937039 YDWRJPXUDYQDCR-UHFFFAOYSA-N 357.384 4.420 0 40 FIAB O=C(Nc1ccccc1Cl)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269313 RNPSGJMQDWPQAT-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269316 PTVORKFSOHYMPS-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 5609795 BJNUVAWJMBYRGA-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6084300 VOUVUZLUSKPYJB-NRFANRHFSA-N 354.425 4.090 0 40 FIAB C[C@@H](CCCNC(=O)Nc1ccccc1)CNC(=O)Nc1ccccc1 6850732 CKTKZMDOIGPZNM-INIZCTEOSA-N 354.454 4.046 0 40 FIAB CCc1ccc2c(COC(=O)[C@H](C)Oc3ccc(F)cc3)cc(=O)oc2c1 7233129 SYYPOBBNAVJRDY-ZDUSSCGKSA-N 370.376 4.005 0 40 FIAB Cc1cc(NC(=O)/C=C/c2ccco2)cc(-c2nc3ncccc3o2)c1O 7505070 AAFYNEGXTMTWIV-VOTSOKGWSA-N 361.357 4.149 0 40 FIAB Cc1ccccc1CSc1nnc(Cc2cccc3ccccc23)n1N 8186084 KVRWURICUOBLOG-UHFFFAOYSA-N 360.486 4.337 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccccc2C(C)C)c1 8355807 QGGUVAWVCWIFGW-OAHLLOKOSA-N 357.450 4.083 0 40 FIAB CCOC(=O)Nc1cccc(C(=O)OCc2nc3ccccc3s2)c1 8546126 VCMBRTFUDXMYME-UHFFFAOYSA-N 356.403 4.222 0 40 FIAB Cc1noc(C)c1CSc1ncccc1C(=O)NC1CCCCCC1 8719204 BLQGEXIDUPXFIP-UHFFFAOYSA-N 359.495 4.431 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3C)n2)cc1 8750328 ZCNKGLPTVJRDRC-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c2ccccc2n1 9112445 GTGKCCZSPCTVEI-KRWDZBQOSA-N 373.456 4.034 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccncc3)cccc2c1=O 9341822 BKVOKIPHPQBNPF-UHFFFAOYSA-N 370.408 4.093 0 40 FIAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccnc2)c1 9358309 KTFOSIUGMBPYKH-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(C)c1 10447360 DKKJVUNSAXDGDF-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CCOc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)cc1 12115910 YWCOLZANMYCNPC-UHFFFAOYSA-N 350.344 4.296 0 40 FIAB Cc1cc(C)c2[nH]c(C(=O)N[C@@H](c3ccccc3)c3ccnn3C)c(C)c2c1 12193986 WNLKPPWWGVEWPK-QFIPXVFZSA-N 372.472 4.346 0 40 FIAB CCc1ccc(N(CC)C(=O)CSc2nc(O)c3ccccc3n2)cc1 12413290 QTRMDWRFTVPRBS-UHFFFAOYSA-N 367.474 4.043 0 40 FIAB biogenic,in-vitro COc1ccc(Oc2cc(NC(=O)c3cccnc3)ccc2OC)cc1 12674269 IMUICEAZGFKIJZ-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB CCc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12749569 UYLOWPUUJRQGQI-JWHUVLAVSA-N 362.473 4.140 0 40 FIAB O=C(CSCc1csc(-c2ccco2)n1)NCc1ccc(F)cc1 12919474 JKTQLSLBVKILJE-UHFFFAOYSA-N 362.451 4.092 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 12987542 VMLJFJNCGLLQRW-SFHVURJKSA-N 373.541 4.327 0 40 FIAB Cc1ccc(C)c(CC(=O)/N=c2/sc3c(Cl)ccc(C)c3n2C)c1 13962944 LVAMBSDNIRBRFI-XUTLUUPISA-N 358.894 4.488 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1 14095347 DUXLNRMRNKGBGJ-UHFFFAOYSA-N 366.442 4.485 0 40 FIAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@H]1c1cccs1)O[C@H](C)C2 14139025 ZMPBTSMQSCXUJF-KCEHYLLSSA-N 369.486 4.457 0 40 FIAB COc1cc(C(C)=O)ccc1OC(=O)Cc1coc2c(C)c(C)ccc12 14788845 RUQPZJSDQOUNLI-UHFFFAOYSA-N 352.386 4.409 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1 19234407 KUURWELRVABWMQ-HNNXBMFYSA-N 353.447 4.126 0 40 FIAB c1cnc2ccc(CN3CCC(c4nnc(-c5ccncc5)o4)CC3)cc2c1 19347007 PLQNWDCBRBRXLK-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB CN(C)C1CCC2(CC1)CN(Cc1ccc(F)cc1)Cc1ccccc1O2 19584029 ZYXOCTWWNGDCPW-UHFFFAOYSA-N 368.496 4.463 0 40 FIAB CCn1ncc2c(C(=O)NCc3cccs3)cc(-c3ccccc3)nc21 21299175 CNORYZHOOJYQKV-UHFFFAOYSA-N 362.458 4.110 0 40 FIAB FC(F)Sc1nc2ccccc2n1CN1CCN(c2ccccc2)CC1 23845935 PMLGBQVXIQSKQQ-UHFFFAOYSA-N 374.460 4.131 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1nc2ccc(Cl)cc2s1 24691080 WRLWMNPEUFZXPG-UHFFFAOYSA-N 374.849 4.292 0 40 FIAB COc1c(C)ccc(NC(=O)c2cc(C)n(Cc3ccccn3)c2C)c1C 25135201 TYWWXWSIKLYSPG-UHFFFAOYSA-N 363.461 4.426 0 40 FIAB O=C(COc1ccccc1)N(Cc1cccc(Cl)c1)c1ccccn1 27581182 GMDDESSIRIXZCN-UHFFFAOYSA-N 352.821 4.347 0 40 FIAB COc1cccc(SCC(=O)Nc2cc(Cl)c(OC)cc2OC)c1 27662697 UGCMUUHLTLYNMG-UHFFFAOYSA-N 367.854 4.097 0 40 FIAB COc1ccc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)cc1 27749836 BHCYRYQOHYGYSK-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB O=C(NCc1cccnc1)c1ccc(COc2ccc3ccccc3c2)o1 28505675 IONJERXCDWOQLA-UHFFFAOYSA-N 358.397 4.337 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)s2)o1 30368790 JEMXEVMFGDUWOX-MFKMUULPSA-N 371.911 4.471 0 40 FIAB COc1ccccc1CNC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 31037505 ZUSZHUVGTVQGCF-IBGZPJMESA-N 370.449 4.485 0 40 FIAB COc1cc(C(=O)Nc2nc(-c3ccco3)cs2)ccc1OC(F)F 32931484 WWYVMTCLKQAQTF-UHFFFAOYSA-N 366.345 4.265 0 40 FIAB Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccccc3)[nH]c2c1 33063713 BKAGYZVUIZTOFA-UHFFFAOYSA-N 352.459 4.017 0 40 FIAB CC[C@](C)(Nc1ccc(C)cc1C)c1nnnn1-c1ccc(OC)cc1 35622536 AETNQJQXIXKXCQ-FQEVSTJZSA-N 351.454 4.025 0 40 FIAB Cc1cc(C(=O)NCc2ccccc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36615931 XKJFZQQMRDVHPX-UHFFFAOYSA-N 374.419 4.106 0 40 FIAB CCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618461 DTJXJIKSSWFENN-UHFFFAOYSA-N 361.376 4.446 0 40 FIAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)CCc2ccsc2)CC1 40121706 ZQVMLGMLZPWCTI-UHFFFAOYSA-N 363.429 4.080 0 40 FIAB CCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 43398593 MKEDUEGZVJCBSE-UHFFFAOYSA-N 373.884 4.231 0 40 FIAB O=C(COCc1nc2ccccc2s1)Nc1nc2c(s1)CCCCC2 48300007 LHUYJYKHZGXTEI-UHFFFAOYSA-N 373.503 4.177 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC(C3CC3)C3CC3)c12 48311963 YRLWROQHHOBSSG-UHFFFAOYSA-N 366.509 4.291 0 40 FIAB COc1ccccc1N1CCN(Cc2nc(-c3cccs3)oc2C)CC1 57399145 NYXCUSUPLIKPMP-UHFFFAOYSA-N 369.490 4.042 0 40 FIAB CCOC1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)CC1 58210496 WZVJSYQIUDUHKO-UHFFFAOYSA-N 370.927 4.475 0 40 FIAB Cn1cc(C(=O)Oc2ccc(OCc3ccncc3)cc2)c2ccccc21 58393692 VBQSYXZEDPTYNK-UHFFFAOYSA-N 358.397 4.372 0 40 FIAB CCC(=O)Cn1c(SCCOc2ccccc2C)nc2ccccc21 76556369 NDIZFUHMJGWUMX-UHFFFAOYSA-N 354.475 4.495 0 40 FIAB CC(C)c1nc(CC(=O)NCC2(N3CCCCC3)CCCCC2)cs1 78387968 PWZYLPZAFYPSON-UHFFFAOYSA-N 363.571 4.114 0 40 FIAB Cc1cc(-c2csc(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)n2)c(C)o1 84081691 OIYXLHJODVKYNJ-PXAZEXFGSA-N 370.430 4.187 0 40 FIAB N[C@@H](c1ccc(Cl)cc1)c1n[nH]c(-c2ccc(C(F)(F)F)cc2)n1 95534005 BEYXYCCQWXMRCH-ZDUSSCGKSA-N 352.747 4.192 0 40 FIAB Fc1ccc(-c2nc(CSc3ncn(-c4ccccc4)n3)co2)cc1F 102972128 POIPXKBOWGSBJL-UHFFFAOYSA-N 370.384 4.493 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SC(C)C)s1 222618945 UBURJOPDUITPRW-AWEZNQCLSA-N 365.524 4.452 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCN(C)c1ccccc1 223028479 ROAVCWODXKIOKT-LJQANCHMSA-N 360.885 4.058 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(OC)cc1 224991501 CFJDUYHZUZIREU-JOCHJYFZSA-N 367.489 4.090 0 40 FIAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225012724 MVOZJMCLBIYVGG-PMACEKPBSA-N 368.550 4.435 0 40 FIAB CCOc1ccc(C(=O)NCCCN(CC)c2ccccc2)cc1OCC 225067130 VFLMGJYMQGWROD-UHFFFAOYSA-N 370.493 4.130 0 40 FIAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)N2CCCCC2)cc1 225454780 OKXSSLKMWSXLMG-UHFFFAOYSA-N 353.491 4.430 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225770811 BYDYBHDGLJOHFG-UHFFFAOYSA-N 372.837 4.069 0 40 FIAB Cc1nc(-c2cc(F)ccc2C(=O)O)cc([C@H]2CCCCN2C(C)C)n1 257253032 JXICXQLQHVRZCD-LJQANCHMSA-N 357.429 4.225 0 40 FIAB Cc1noc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257313003 UQOZNOWNIFJNNS-LJQANCHMSA-N 363.417 4.080 0 40 FIAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)ccc1OC(F)F 257325053 WRFZEXZPUISWIE-SXOQPLQPSA-N 368.420 4.171 0 40 FIAB O=C(NCCCn1ccnc1)/C(=C/c1ccccc1Cl)c1ccccc1 408564562 WRRYRYMDHHMBEQ-XDJHFCHBSA-N 365.864 4.284 0 40 FIAB CC(C)C(NC(=O)CSCc1cccc(Br)c1)C(C)C 408879788 FNZYWCKFXXQNSA-UHFFFAOYSA-N 358.345 4.479 0 40 FIAB O=C(NCc1nccnc1-c1ccsc1)c1ccccc1C(F)(F)F 575617971 CIHAIUZLVPOPBX-UHFFFAOYSA-N 363.364 4.154 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 754033 ZDFBPRZOYUHILJ-LLVKDONJSA-N 359.451 4.089 0 40 FIAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)C1 819316 FONPIRYEFWXGSX-CQSZACIVSA-N 369.336 4.464 0 40 FIAB NC(=O)Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1 1240893 CBWAMGMAFZDXKO-UHFFFAOYSA-N 354.413 4.068 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4cccc(O)c4)nn12)[C@H](C)CCC3 2334875 YTLZLDBZHYXTRP-SNVBAGLBSA-N 350.447 4.460 0 40 FIAB CCSc1nc(NCCCOC)c2c3c(sc2n1)COC(C)(C)C3 2421828 ZAFRUPFGUMCKFR-UHFFFAOYSA-N 367.540 4.103 0 40 FIAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1 3041614 SOQDKLPUXXQANL-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1 3495532 CFGZDYLHKGUMKS-UHFFFAOYSA-N 357.460 4.124 0 40 FIAB CC(C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 3659128 HBUNYHFCBZHQSD-LICLKQGHSA-N 356.809 4.225 0 40 FIAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 4513953 KEMKQPWCHNRFPX-QFIPXVFZSA-N 362.404 4.336 0 40 FIAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OC 4689562 FXBBQZYOPGPYEX-JYRVWZFOSA-N 374.234 4.349 0 40 FIAB COc1cccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3CC(C)C)c1 4856954 LBKAFRCZEKPWHV-AYHJJNSGSA-N 361.555 4.023 0 40 FIAB Cc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c(C)c1 5267999 ZGSPNCOHOOXEQB-UHFFFAOYSA-N 366.442 4.337 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nccn3C)n2)cc1 5358506 JEOYTPIRDUFNOL-LBPRGKRZSA-N 372.519 4.225 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccc(OC(F)(F)C(F)F)c(N)c2)c1 5688772 KZBOWFMVFNVFKR-UHFFFAOYSA-N 356.319 4.375 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc(OC)c(Br)c2)c1 6265133 FUAATCILTJCDKD-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 6544132 UZIXVMYLFKRSPN-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc(Cl)c1 6615772 ABGUCDYRZCAPNO-UHFFFAOYSA-N 359.882 4.067 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1F 7448945 KKOQNPJIWQIPCO-UHFFFAOYSA-N 360.860 4.395 0 40 FIAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(Cl)c1Cl 7552499 LRJRCSLXPFCVNC-HNNXBMFYSA-N 369.248 4.059 0 40 FIAB COc1ccccc1OCCC(=O)Nc1ccc(OC(F)(F)F)cc1 7813448 BHSSDFPHXJXMBH-UHFFFAOYSA-N 355.312 4.001 0 40 FIAB O=C(COc1ccccc1F)NCc1ccc(-c2ccc(Cl)cc2)o1 7898929 FYPLSCWOOUOEAP-UHFFFAOYSA-N 359.784 4.434 0 40 FIAB CCOC(=O)Nc1ccc(C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1 8165423 PIMMYRRNDWYXHK-UHFFFAOYSA-N 368.433 4.068 0 40 FIAB CCCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O 8740868 FOUMOIACEBZYPT-UHFFFAOYSA-N 366.417 4.187 0 40 FIAB biogenic CCOC(=O)c1sc2ncnc(Oc3ccc(C(C)=O)cc3)c2c1C 8748825 WXXKOSVUGWUCOO-UHFFFAOYSA-N 356.403 4.171 0 40 FIAB COc1ccc(Nc2nc(Nc3ccc(C)cc3)c3nccnc3n2)cc1 9074257 YJWGXAUHYJILAW-UHFFFAOYSA-N 358.405 4.224 0 40 FIAB C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(-n2ccnc2)cc1 9156591 HVLKXFYBTZZNEN-ZDUSSCGKSA-N 357.816 4.085 0 40 FIAB CCOc1ccc(Nc2nc(C(=O)Nc3nc(C)cs3)cs2)cc1 9208917 NHKSVEQWHURWNN-UHFFFAOYSA-N 360.464 4.303 0 40 FIAB COc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)c1 9328192 BUGNSLFYKAMNIB-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB O=C(NCCc1cccc(F)c1)c1ccc2nc(-n3cccc3)sc2c1 9486399 ZRVRLNQVSNXNHV-UHFFFAOYSA-N 365.433 4.199 0 40 FIAB COc1ccccc1CN(C)CC(=O)Nc1c(Cl)ccc(C)c1Cl 9502968 BJIGVACJCMXEDY-UHFFFAOYSA-N 367.276 4.381 0 40 FIAB Cc1cc(Nc2ccc(Br)cc2)n2nc(-c3ccco3)nc2n1 9526450 FQAMHPYGDGOTQN-UHFFFAOYSA-N 370.210 4.199 0 40 FIAB CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccc(O)nc3)ccc21 9931876 BNMYIYKYPURELW-UHFFFAOYSA-N 359.429 4.187 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)ccc2C)cc1Cl 10543918 DRTVTWDOODELOY-CYBMUJFWSA-N 353.871 4.005 0 40 FIAB COc1ccc(-c2cccc(CN3CCC(O)(c4cccnc4)CC3)c2)cc1 12363655 QFOKJRLCFMGFDM-UHFFFAOYSA-N 374.484 4.241 0 40 FIAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 12787291 ORUFBVTXUCGRNU-CQSZACIVSA-N 355.388 4.043 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3cc(F)cc(F)c3)s2)cs1 12857994 AXPCLAYYYGLGSQ-UHFFFAOYSA-N 364.442 4.431 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1Cl 12872547 UYFSUUVQTLUSHN-GOSISDBHSA-N 356.853 4.282 0 40 FIAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccc(F)c(F)c1 12910535 XXFCKQKZLSGUAQ-LBPRGKRZSA-N 357.356 4.193 0 40 FIAB O=C(CCc1ccccc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 13267101 ACZRTTOMPCNMTE-NRFANRHFSA-N 359.473 4.058 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC(C)CC3)c2n1 13284417 FXWTXMJNAVOEMH-UHFFFAOYSA-N 367.276 4.487 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)n2c(nc3ccccc32)N1 13634992 DUINPKHJLSSVHN-KRWDZBQOSA-N 353.447 4.338 0 40 FIAB Cc1ccc(OCc2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1 14135511 ZRRFCPBJIGRAEU-UHFFFAOYSA-N 352.459 4.303 0 40 FIAB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(Cl)ccc2Cl)n1 15379132 ISMJTTWNTFYEHR-UHFFFAOYSA-N 357.262 4.004 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OC)cc23)cc1 15880466 IMBNHOULOHPUBT-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic O=[N+]([O-])c1ccc(O)c(CNC(=S)Nc2ccc(Cl)c(Cl)c2)c1 16238910 YLMCBXPNINECGV-UHFFFAOYSA-N 372.233 4.094 0 40 FIAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 19577467 ZGEDEYAKWBSJIV-SFHVURJKSA-N 351.498 4.337 0 40 FIAB Cc1ccc([C@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5[nH]4)c3C2)cc1 19817363 ZBBHNFIYRMVKTL-MRXNPFEDSA-N 356.429 4.278 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(C)cc2C)c(OC)c1OC 20486078 HAOIAGOAQQBIOV-YHVDPYDOSA-N 369.461 4.220 0 40 FIAB CCCCOc1ccc([C@@H](O)[C@H](CN2CCOCC2)c2ccccc2)cc1 20790292 AFMFNWNIOFULQN-DHIUTWEWSA-N 369.505 4.015 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2cc(Cl)c3c(c2)OCCO3)cc1 20947515 UYRMGDZNVADUSK-SFHVURJKSA-N 359.853 4.457 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235256 HCYAIMZIBBLJGK-UHFFFAOYSA-N 352.821 4.162 0 40 FIAB CC[C@@H](CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1 23748376 IYDVDKNDLLDPPI-HNNXBMFYSA-N 370.880 4.390 0 40 FIAB COc1ccccc1-c1nc(CNc2cc(Cl)ccc2C(N)=O)cs1 25746193 YBBSQDOXYRHWGC-UHFFFAOYSA-N 373.865 4.183 0 40 FIAB C[C@@H]1c2cccn2CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 29380271 YFDAMJNOHZVTEA-CQSZACIVSA-N 355.438 4.052 0 40 FIAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2cc(F)ccc2F)c(C)c1 29605491 DNGMDWKMGGPHTI-LBPRGKRZSA-N 364.417 4.411 0 40 FIAB C[C@@H](CN1CCOCC1)[C@](O)(c1ccc(Cl)cc1)C1CCCCC1 31649075 BNHRDNXAMJPELQ-OXJNMPFZSA-N 351.918 4.076 0 40 FIAB CCCOc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 32462498 YOVQGYPXLMVOOG-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB Cc1c(F)cccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32579038 FRACNUPEXAHWAO-UHFFFAOYSA-N 369.396 4.325 0 40 FIAB CC(=O)Nc1cccc(-n2c(C)nnc2SCc2ccc(C)cc2)c1 32778974 KNGVROPDYHOYHN-UHFFFAOYSA-N 352.463 4.135 0 40 FIAB CC(C)CNC(=S)N(CCc1nc2ccccc2[nH]1)C1CCCCC1 35311174 LDOXKPOYUIKMGE-UHFFFAOYSA-N 358.555 4.271 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1CCCC[C@@H]1C 38500890 ZCBONLKBAYODFZ-WMLDXEAASA-N 359.445 4.109 0 40 FIAB Cc1cccc(C)c1OC(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O 40128240 IUUHDVWISDYNFB-UHFFFAOYSA-N 371.433 4.247 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)/C=C/c3nc4ccccc4o3)nc2C1 44742779 BECNNHNOTCJAIK-BQYQJAHWSA-N 367.430 4.091 0 40 FIAB Cc1ccccc1[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 44883706 WEOARKPUNKCPCM-FCHUYYIVSA-N 359.425 4.041 0 40 FIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1Cl 45773365 YHKYMWRREVSBCU-UHFFFAOYSA-N 361.722 4.350 0 40 FIAB C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CCc2ccco2)C1 48343383 WESOEMVVYREPPO-QZTJIDSGSA-N 354.494 4.007 0 40 FIAB C[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 49581010 ZXDWMKBGXXQLFV-RYUDHWBXSA-N 361.367 4.354 0 40 FIAB Cc1ccccc1-c1noc(CSCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1 58064253 QWKFMGZUXNRPOF-KMFMINBZSA-N 373.522 4.219 0 40 FIAB CC(=O)N1CCC(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)CC1 58172362 KPSMSCBCSPNQCP-INIZCTEOSA-N 365.477 4.057 0 40 FIAB CN(C(=O)c1cccc(C[S@@](C)=O)c1)C1CCC(c2ccccc2)CC1 58218815 BXMPKBZEWADUJZ-WGJJQBRPSA-N 369.530 4.364 0 40 FIAB Cc1cn2cc(NC(=O)/C=C/c3ccccc3OC(F)(F)F)ccc2n1 58310324 OURWEXUWERYWPL-RMKNXTFCSA-N 361.323 4.193 0 40 FIAB O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc2ccccc2n1 58951915 RLZXVMKERWAQTR-UHFFFAOYSA-N 360.335 4.106 0 40 FIAB Fc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333538 WCPWLZHVTBZZCU-UHFFFAOYSA-N 354.454 4.460 0 40 FIAB N[C@@H](c1ccc(Cl)cc1)c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 95534003 JCECQRFLSKHIGB-ZDUSSCGKSA-N 352.747 4.192 0 40 FIAB CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1 96023714 LKCDRCCSEGFFNK-JIVFAJJISA-N 362.466 4.086 0 40 FIAB biogenic Cc1ccc(CN2CCC3(CCN(Cc4ccccn4)CC3)CC2)s1 96047200 XUTVVZWTKIKDQM-UHFFFAOYSA-N 355.551 4.330 0 40 FIAB CC(C)(C)OC(=O)N1CCC(CC(=O)O)(c2ccc(Cl)cc2)CC1 98213951 KGFMLFPHHQWAQF-UHFFFAOYSA-N 353.846 4.083 0 40 FIAB COc1cccc(C2=C[C@H](c3c(F)cccc3Cl)n3ncnc3N2)c1 100957968 RVGHPPGXGODBCF-MRXNPFEDSA-N 356.788 4.135 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2ccccc2)c1[C@H]1C(=O)Nc2ccc(C)cc21 101653134 FHQCXVCJHZZKLV-SFHVURJKSA-N 360.413 4.169 0 40 FIAB CN1CCN(C(=O)c2csc(-c3ccccc3F)n2)c2ccccc21 110475055 WSCRHLDAKRSJCQ-UHFFFAOYSA-N 353.422 4.046 0 40 FIAB CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 170612452 OKSBTXFKAFWJRO-OVJXPFRRSA-N 358.532 4.155 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)COc2ccccc2C)cc1 222897684 SHZSHCYAJDOLOV-PXNSSMCTSA-N 355.478 4.299 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 223278147 GBRTWCXCXFLIPE-HNNXBMFYSA-N 355.434 4.311 0 40 FIAB O=C(CSCc1ccccc1F)NCCOc1ccc2ccccc2c1 223638614 ZOWGVUCDAQNNMI-UHFFFAOYSA-N 369.461 4.407 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223783439 IZQJLSTYHSZFNV-SFHVURJKSA-N 355.478 4.389 0 40 FIAB COc1cccc(OCc2cc(C(=O)N3CCCCCC3)ccc2OC)c1 224257171 RNKRHTBATRBYAB-UHFFFAOYSA-N 369.461 4.299 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C 224349183 HSIICLQMHABSBF-ZDUSSCGKSA-N 373.324 4.283 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COCC(C)C 224743600 RWCQQGMUDYLUBU-UHFFFAOYSA-N 359.441 4.327 0 40 FIAB CC(C)(C)CC(C)(C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225110017 MFKRGGMOWJSGEB-JXAWBTAJSA-N 368.477 4.382 0 40 FIAB Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccccc1Cl 226299605 BEMMUGVFCIXWMP-UHFFFAOYSA-N 365.289 4.182 0 40 FIAB Nc1nc2c(Br)cc(NC(=O)C3CCCCC3)cc2s1 226312591 RCBOCJBFBUGZAK-UHFFFAOYSA-N 354.273 4.160 0 40 FIAB O=C(O)c1cc(Cl)c(OCc2ccc(Br)cc2)cc1O 226346591 RDSZLGLODQOHBR-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(Br)cc1Cl)C2=O 226864235 TWRANFNIXLRZTQ-MGPLVRAMSA-N 370.674 4.418 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1ccc(-c2c(C)noc2C)cn1 257295886 RAGZQURCSTZOEY-MRXNPFEDSA-N 368.462 4.096 0 40 FIAB CCn1c2c(s/c1=N\C(=O)c1ccc(F)cc1)CCc1ccccc1-2 408561765 LALBAUDQXBDZAA-XDOYNYLZSA-N 352.434 4.215 0 40 FIAB CC(C)Oc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)n1 534363795 YLJLGRAZJPGJBK-QGZVFWFLSA-N 365.433 4.377 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc2cccnc12 1191651708 FWYPNLDNRMEQAX-UHFFFAOYSA-N 356.447 4.168 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(-c2ccccc2F)nn1 1618817676 CZYSFQOJKGJWNM-UHFFFAOYSA-N 359.763 4.256 0 40 FIAB COc1ccc(N[C@@H](NC(=O)c2ccc(C)cc2)C(=O)c2ccccc2)cc1 622972 FYLNEIIQBWPOOL-QFIPXVFZSA-N 374.440 4.055 0 40 FIAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@H]1CCCO1 887361 UOPWDURTXUFKDD-GFCCVEGCSA-N 357.262 4.158 0 40 FIAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)OC1CCCCC1 976140 MOIBNFOOEKQAIT-UHFFFAOYSA-N 352.843 4.358 0 40 FIAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1F 1104437 CNTNRSHFYRVWNM-UHFFFAOYSA-N 364.376 4.339 0 40 FIAB Cc1ccc(SCC(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1 1388831 UYRMUWBFQJUCNU-UHFFFAOYSA-N 361.470 4.281 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1OC 1918670 UKGQIOCMKXGZDL-CSKARUKUSA-N 362.223 4.118 0 40 FIAB Brc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 2445260 ZFNYXNCBMAMTOX-CVEARBPZSA-N 355.239 4.187 0 40 FIAB O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CC=CC1 2515898 OTNZASGREMRAAZ-UHFFFAOYSA-N 360.226 4.191 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nc3sc(C(N)=O)c(N)c23)cc1C 2558582 XEMOWRYEMOSFEB-UHFFFAOYSA-N 365.380 4.280 0 40 FIAB CCOP(=O)(NC(=S)Nc1cc(Cl)cc(Cl)c1)OCC 2577774 NSIWGRJCMHWATF-UHFFFAOYSA-N 357.199 4.461 0 40 FIAB CC1CCN(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)CC1 2650779 RYATZNRRFQZWPU-UHFFFAOYSA-N 365.549 4.014 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)c2nn(C)c(C)c2Br)CC1 2781406 BYVLJKXPUASMMC-UHFFFAOYSA-N 370.335 4.216 0 40 FIAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1 3334383 RHZYEYQDIJPWQN-UHFFFAOYSA-N 370.758 4.070 0 40 FIAB COc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1 4120259 ZFZFOTCOVDEWDU-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2c(C)cccc2s1 4359464 LHOPMEYDRICKGA-UHFFFAOYSA-N 357.479 4.186 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 5211038 AAASTBIGRHRTBL-GFCCVEGCSA-N 356.426 4.039 0 40 FIAB O=C(Nc1cccc(I)c1)c1cccc(Cl)c1 5749800 YLDRLEVCBOQYPW-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1coc(-c2ccccc2)n1 5937666 IVFMIDOTSNINDB-UHFFFAOYSA-N 362.410 4.204 0 40 FIAB Cc1ccc(C2=Nn3c(nc4sc5c(c4c3=O)CCCC5)SC2)cc1 6006822 COSAOXZFDJQNPC-UHFFFAOYSA-N 367.499 4.003 0 40 FIAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1 6140446 YBHCCBNOGYYXKU-UHFFFAOYSA-N 374.469 4.366 0 40 FIAB C[C@@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)Nc1ccccc1F 6601791 PCEFDFUZTVAVTN-CYBMUJFWSA-N 368.364 4.077 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1F)S[C@@H](C)C(=O)N2 6678880 TYSOTWSOYUJADZ-UGSOOPFHSA-N 367.449 4.483 0 40 FIAB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)cc1 7255483 XWSZKNFWSLVWTK-DHZHZOJOSA-N 367.445 4.206 0 40 FIAB CCCCCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 7261026 QPCPGWLREBBTJK-UHFFFAOYSA-N 364.530 4.049 0 40 FIAB O=C(Oc1ccc2c(c1)OCO2)c1cc(-c2ccco2)nc2ccccc12 7658782 URSRHUFSFOWSFG-UHFFFAOYSA-N 359.337 4.443 0 40 FIAB CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccccc1 8327038 NCRQKIDEBDZCKR-QGZVFWFLSA-N 363.885 4.178 0 40 FIAB C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCCc1cccs1 8728573 WNPCJPOASVJAQL-LBPRGKRZSA-N 356.413 4.316 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(N(C)C)cc3)s2)cs1 9920504 ZNVUHVBSXRDFCI-UHFFFAOYSA-N 357.504 4.176 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccccc1F 10139826 KLMKLPXAOHQYDD-UHFFFAOYSA-N 351.425 4.125 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 10285132 KQTCSQMFBNFSAW-VBKZILBWSA-N 372.440 4.354 0 40 FIAB CSc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 10456509 TTZBCDPTCHBBEO-UHFFFAOYSA-N 354.519 4.324 0 40 FIAB Cc1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1Cl 11427569 ONROZOCCYUHEKS-UHFFFAOYSA-N 367.836 4.272 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1C 11917197 XCCZYVJBMOSWIT-CYBMUJFWSA-N 371.437 4.367 0 40 FIAB O=C(N1CCCCC1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12134087 ITFIATVYFHIUAH-UHFFFAOYSA-N 364.489 4.100 0 40 FIAB CCCSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12322698 PFXNNRJZROTIBQ-UHFFFAOYSA-N 359.886 4.122 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 12324864 ZKCSGHLEYASAFE-UHFFFAOYSA-N 360.446 4.067 0 40 FIAB Cc1nc2ccc(NC(=O)c3ncoc3-c3cccs3)cc2nc1C 12338282 UQLKSPVMJPSSDF-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB O=C(CCS[C@H]1CCc2ccccc2NC1=O)Nc1ccccc1Cl 12390198 OZHXQTSMTSEMDH-KRWDZBQOSA-N 374.893 4.355 0 40 FIAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 12459416 WCQHTCHENTVQER-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12767944 QGQHHMXGXJHKNW-OAQYLSRUSA-N 369.461 4.374 0 40 FIAB CC(C)n1ncc2cc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cnc21 12911184 HFQMYCCCOOFYDO-LBPRGKRZSA-N 358.829 4.072 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccco1 13004126 YTGMFLGMIHXRSX-UHFFFAOYSA-N 363.236 4.342 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1cc(F)ccc1Br 14015744 FGRVOEWIXWIGAO-UHFFFAOYSA-N 355.232 4.176 0 40 FIAB CCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 15935957 VVGDHDNUGGGBSL-IBGZPJMESA-N 351.450 4.192 0 40 FIAB COc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)c(OC)c1 19552540 QUWMNCZBJKYRLR-MRXNPFEDSA-N 360.504 4.295 0 40 FIAB O=C(NCc1nnc(-c2ccccc2)o1)c1cc(C2CC2)nc2ccccc12 19714740 YPEBXHVTJFWQTF-UHFFFAOYSA-N 370.412 4.092 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F 27493176 YFINRNNPFZQNMB-YVEFUNNKSA-N 362.832 4.262 0 40 FIAB CCOC(=O)c1ccc(N2CCC[C@@H](c3nc4ccccc4s3)C2)nc1 29372060 HOVQFARVBQOMJN-OAHLLOKOSA-N 367.474 4.252 0 40 FIAB Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)nc1 29520191 DYICPHPHOJHBNE-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)c2cccnc12 31096298 FBKVDUDSKMXPBK-UHFFFAOYSA-N 364.430 4.226 0 40 FIAB COC(=O)CCCN(C)C(=O)c1ccccc1Nc1cccc(C)c1C 32278310 AKMVCMXFSBQTIB-UHFFFAOYSA-N 354.450 4.072 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 32879752 JJYFOCTWSNUDIS-QGZVFWFLSA-N 373.500 4.325 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c(OC)c1 36358799 GQXNJUZKPIHMSO-INIZCTEOSA-N 367.380 4.152 0 40 FIAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccncc2)cc1 37868555 VONUOVKRMBXJMQ-IBVKSMDESA-N 374.421 4.091 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 44794804 MRZJPYMHNGSGBI-UHFFFAOYSA-N 374.824 4.102 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44839824 GXZPDQMRAGHMGK-MRXNPFEDSA-N 361.825 4.231 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H]1c1ccsc1 46913145 FIIMRDHLOGTDIA-UXHICEINSA-N 366.486 4.376 0 40 FIAB CC(=O)N1CCc2cc(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)ccc21 53887539 MARNNICUEXXOKC-UHFFFAOYSA-N 362.351 4.175 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccccc2OC(F)F)N1c1ccncc1 54702418 FRLRFAKVHPSEFE-GOSISDBHSA-N 367.355 4.454 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccccc2Cl)[nH]n1 57413601 QPVNCXPSYNJHFE-UHFFFAOYSA-N 364.836 4.184 0 40 FIAB CN(C[C@@H]1CCCN1C(=O)c1cccc(Br)c1)c1ccccc1 58157276 OUIMRKUUIYRPTI-SFHVURJKSA-N 373.294 4.190 0 40 FIAB COc1ccc2cc(C(=O)OCC(=O)c3c[nH]c4cccc(C)c34)[nH]c2c1 63955299 RVLXDINEUVYVCB-UHFFFAOYSA-N 362.385 4.006 0 40 FIAB COc1ccc(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)c2cccnc12 64312574 NAOOJHIYZKCQCN-UHFFFAOYSA-N 362.429 4.362 0 40 FIAB O=C(c1nccc2ccccc12)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 65477103 NXSQJUGHPZOTHK-IBGZPJMESA-N 364.420 4.195 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1C 67500352 IDSQTRBNHAEYIZ-UHFFFAOYSA-N 362.433 4.172 0 40 FIAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)c1 68430716 VBVBFDSOZMJIDE-XNFUBGNCSA-N 368.433 4.028 0 40 FIAB Cn1nc(C2CC2)cc1C(=O)NCc1nc(-c2ccc(Cl)cc2)cs1 72243351 OAQQFLLBDHAXNS-UHFFFAOYSA-N 372.881 4.004 0 40 FIAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccccc3)n2)n1 72375131 ZZUQXUNTFOSHLY-IBGZPJMESA-N 373.460 4.209 0 40 FIAB c1ccc(CCN2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377578 HZJGSFMDOKWYKT-KRWDZBQOSA-N 351.479 4.056 0 40 FIAB NC(=S)c1ccc(-c2ccc(Br)cc2Br)o1 78407055 FKWKWVQSNCUWST-UHFFFAOYSA-N 361.058 4.106 0 40 FIAB S=C(Nc1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423168 YPIBUBIYOPUOIL-PMACEKPBSA-N 351.519 4.169 0 40 FIAB CN1CCc2c(c3c(n2C)CCN(C)[C@@H]3c2ccccc2)[C@@H]1c1ccccc1 100739874 RXOZEZKDLQNAGD-PLQXJYEYSA-N 371.528 4.180 0 40 FIAB CC1(C)[C@@]2(C(=O)Nc3nccs3)CC[C@@]1(C)c1nc3ccccc3nc12 100768787 IBJHAFDFHFGDIG-PMACEKPBSA-N 364.474 4.054 0 40 FIAB Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C 188485605 VNCZWZPJQZMHQX-KXBFYZLASA-N 363.461 4.483 0 40 FIAB Cc1cc2ncc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cn2n1 206738461 XEQVWUJXRQHVMR-UHFFFAOYSA-N 354.841 4.142 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cc(C)ccc2C)c2ccccc12 222612230 CPIHBVSQLXWOHZ-OAHLLOKOSA-N 351.402 4.152 0 40 FIAB CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(C)cc1C 223444554 WCMLYVYUEPHVMN-LJQANCHMSA-N 361.507 4.358 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)cc1C 224445649 ZDSVTZOHHRBBIZ-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccccc2)s1 225072168 BVNRXMCWEMEJMV-AWEZNQCLSA-N 369.446 4.010 0 40 FIAB COC(=O)c1cccc(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1C 225660120 ZGYYUBYQPVPYRQ-UHFFFAOYSA-N 355.434 4.474 0 40 FIAB Cc1nc2c(C(=O)N3CC4(CCOCC4)[C@H]3c3ccccc3)cccc2o1 334003853 SSIFXBQUQWQRDR-HXUWFJFHSA-N 362.429 4.130 0 40 FIAB COC(=O)c1c(-n2c(C)cc(/C=C/[N+](=O)[O-])c2C)sc2c1CCCC2 408768573 YLSFEKIVMKZECX-CMDGGOBGSA-N 360.435 4.068 0 40 FIAB C[C@H](NC(=O)NCC1CCOCC1)c1ccccc1Oc1ccccc1 510290217 LVAJWADOOVFHSG-INIZCTEOSA-N 354.450 4.266 0 40 FIAB CC(C)CCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccn2)cc1 516255086 DEKYXIYATWFFKM-FQEVSTJZSA-N 374.506 4.032 0 40 FIAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(Cc1ccc(C)o1)CC2 585102922 IMAZVZFDDKINMK-SFHVURJKSA-N 374.550 4.010 0 40 FIAB C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 1651747017 ARBOBBHPYGHZDD-GFCCVEGCSA-N 355.825 4.158 0 40 FIAB FC(F)(F)c1nc(NC2CC(NCc3ccccc3)C2)c2ccccc2n1 1775988536 UQHBKBJCVKONEE-UHFFFAOYSA-N 372.394 4.381 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C)CC4)cc1 645656 NYBDTHIQZSLAIF-CYBMUJFWSA-N 371.458 4.367 0 40 FIAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2cc3c(cc2N1)OCCO3 816177 KANISRLZZKFCNP-NSHDSACASA-N 350.201 4.239 0 40 FIAB CC(C)CCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 885214 BKIGWJWPWZKNDY-IKJYFWGWSA-N 366.457 4.474 0 40 FIAB CCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccccc1 948642 DJMAOPHLPQZILA-UHFFFAOYSA-N 350.418 4.075 0 40 FIAB COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O)cc1Br 950327 SSVNOSMNMRCSMY-UHFFFAOYSA-N 361.191 4.245 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 976445 LHRIUYSMHFPLHZ-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB O=C(COC(=O)c1cccs1)c1ccc(OCc2ccccc2)cc1 991231 OMYZFFMXBRBTSC-UHFFFAOYSA-N 352.411 4.367 0 40 FIAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1025246 GTNUHGRYMNVKBX-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB Cc1cccc2cc(CN(C(=O)c3cccs3)C3CCCC3)c(=O)[nH]c12 1346710 FAWHABKYUVHXKK-UHFFFAOYSA-N 366.486 4.483 0 40 FIAB S=c1sc2ccccc2n1CSc1nnnn1-c1ccccc1 2505824 PEDCCBYZLLBWNO-UHFFFAOYSA-N 357.489 4.158 0 40 FIAB O=C(COc1cccc(Cl)c1Cl)NCCc1ccc(Cl)cc1 2632040 LEPVSICYQAUGAS-UHFFFAOYSA-N 358.652 4.385 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)CCc1nc2ccccc2s1 3240942 YNMYMVMHXJTPHV-UHFFFAOYSA-N 368.458 4.028 0 40 FIAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1Cl 4089116 UUCNCXONVAMXSA-UHFFFAOYSA-N 367.758 4.063 0 40 FIAB COc1ccc(OCc2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 4383990 NNSNBXPJNQEGQY-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB CCCCCCC1=NN(C(=O)c2ccc(C)cc2)[C@@](O)(C(F)(F)F)C1 4553237 ZFIDZLZFXVQDLI-KRWDZBQOSA-N 356.388 4.418 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 5180111 AQGCLCUCBDLLRD-GFCCVEGCSA-N 370.453 4.293 0 40 FIAB Cc1sc(NC(=O)C2=COCCO2)c(-c2nc3ccccc3s2)c1C 5255697 JMCZOOSNBGFCLK-UHFFFAOYSA-N 372.471 4.468 0 40 FIAB CCN(CC)CCn1nc(/C=C/c2ccccc2)nc1-c1ccccc1O 5274144 DYYAJJKMDJAUHG-CCEZHUSRSA-N 362.477 4.163 0 40 FIAB CCn1c(NC(=O)C(C)C)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 5427516 XXOIZPSXSCXXOX-UHFFFAOYSA-N 364.445 4.292 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 5471207 WDODWFFXBOPTKQ-UHFFFAOYSA-N 355.434 4.097 0 40 FIAB CCOc1cc(CNc2ncc(-c3ccc(Cl)cc3)n2C)ccc1O 6187260 XRWZNRPARGAVNL-UHFFFAOYSA-N 357.841 4.457 0 40 FIAB C[C@H](NC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21)c1ccccc1 6248220 DJQMHABVOSJXOL-ZDUSSCGKSA-N 374.362 4.264 0 40 FIAB O=c1[nH]c(/C(Cl)=C/c2cccc(O)c2)nc2sc3c(c12)CCCC3 6653148 XEEYOSZPRUZOHV-LCYFTJDESA-N 358.850 4.306 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 6882107 IJFHKYRJDVQZBU-ZDUSSCGKSA-N 351.277 4.303 0 40 FIAB COc1cc(C(=O)Oc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 7062589 DEBPBLPQWRMFLK-UHFFFAOYSA-N 357.189 4.238 0 40 FIAB CCC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccsc3)n2)cc1 8071396 OHSSNYIIVZUCOY-UHFFFAOYSA-N 371.487 4.401 0 40 FIAB Cc1nc(SCC(=O)NCCCc2ccccc2)n(C2CCCC2)c1C 8345115 YCAVEJSDQSMXFA-UHFFFAOYSA-N 371.550 4.456 0 40 FIAB O=c1c2ccc(Cl)cc2nc(SC[C@@H]2CCCO2)n1C1CCCC1 9153993 ZCAUYDVMDHGJMN-AWEZNQCLSA-N 364.898 4.436 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1csc(-c2ccsc2)n1 9690904 CJDMSUHRPMPIMP-OAHLLOKOSA-N 373.503 4.032 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 9726738 XGGVRDRBEPZDOO-LBPRGKRZSA-N 365.351 4.164 0 40 FIAB O=C(NCCSC1CCCCC1)c1ccc(CN2CCCCC2)cc1 10332772 ZMZDAGIHNOUQLV-UHFFFAOYSA-N 360.567 4.468 0 40 FIAB O=C(Cc1ccccc1F)N1CCC(c2onc3c2CCCCC3)CC1 12119962 BSVPMMCBFPACQF-UHFFFAOYSA-N 356.441 4.031 0 40 FIAB CCCC(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](CC)N2 12242086 MXPRXKBFEKCESF-MRVWCRGKSA-N 358.408 4.044 0 40 FIAB O=C1COc2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2N1 12536507 QXZCPEBICSYHAZ-UHFFFAOYSA-N 368.396 4.371 0 40 FIAB CC(=O)c1cccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 12592279 KYKYBYCKTDDOGM-NRFANRHFSA-N 364.470 4.268 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1nc(-c2cccs2)cs1 12760526 ZEBXMHSYMMBHCL-GQCTYLIASA-N 370.455 4.295 0 40 FIAB Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c2c(C)nn(C)c2n1 12781870 HLHPYXUWLDZUQX-CYBMUJFWSA-N 366.490 4.116 0 40 FIAB CCc1ccc([C@H](O)CSc2nnc(-c3ccccc3F)n2C)s1 12816664 GSGISKJVHLOCMX-CQSZACIVSA-N 363.483 4.071 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(Br)o2)cc1 12999577 WHDNGKFKKQYUBB-ZDUSSCGKSA-N 350.212 4.028 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 13709977 NQAPDOJNKINRAR-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB c1csc(-c2nnc(Sc3ncnc4sccc34)n2C2CC2)c1 14184475 DIFWOPZDSYDHLG-UHFFFAOYSA-N 357.489 4.497 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 14291417 JFXLMWQVOIQPBS-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14796222 RLVLTQQCUMHRSS-UONOGXRCSA-N 374.868 4.274 0 40 FIAB COC(=O)c1ccc(Cn2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 15108873 AKXVYVPADTZPMY-UHFFFAOYSA-N 368.392 4.083 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 15180337 XTSUUPHHAFXPHA-NSHDSACASA-N 356.809 4.140 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 15695762 NIXMWVLVTDGVPO-CYBMUJFWSA-N 361.388 4.204 0 40 FIAB CC(=O)Nc1cc2ccccc2cc1C(=O)OCc1nc2ccccc2o1 16413910 OFGOSTUWZUPTSU-UHFFFAOYSA-N 360.369 4.296 0 40 FIAB O=c1c2cc(Cc3ccccc3)sc2[nH]c(=S)n1Cc1ccccn1 17075123 CIAUBHINXDTSEA-UHFFFAOYSA-N 365.483 4.155 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1cnc(-c2ccccc2)nc1 17524244 CWWCIOOIAYOWDW-UHFFFAOYSA-N 374.227 4.468 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)C[C@H](C)O3)c(OC)c1 19497934 FLWLIZFFOYEUMO-IFXJQAMLSA-N 367.445 4.005 0 40 FIAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 19624005 HZMFVQUZXJDKQC-UHFFFAOYSA-N 355.419 4.124 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCCC2)o1 21659755 ZYXOWQOAAJEENY-LJQANCHMSA-N 354.494 4.452 0 40 FIAB O=C(c1csc2c1CCCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 22008310 FAYUSEIKVRQSNK-QGZVFWFLSA-N 369.486 4.375 0 40 FIAB COc1ccc(F)cc1Cn1nc(-c2cccs2)c2ccccc2c1=O 22183846 JHLLMQXGWVHDAX-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2N2CCCCC2)cc1 22978681 VCIDMIMKNINEGY-MRXNPFEDSA-N 354.450 4.092 0 40 FIAB Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1C 24560203 BNHRCXRKMNZDFV-NRFANRHFSA-N 359.473 4.356 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c(F)c1 27390311 BMVJVVKVTJGWGL-UHFFFAOYSA-N 372.465 4.101 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(C(F)(F)F)c1 27975491 IZZKVDFPGYIPFH-ZDUSSCGKSA-N 363.379 4.278 0 40 FIAB CCOc1ccccc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 28683175 ZYDZAVAGJKKDHN-AWEZNQCLSA-N 359.495 4.026 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)N[C@H](c1ccccc1)c1ccccn1 29319960 IVTKCBHKTIDBKU-XMSQKQJNSA-N 359.473 4.492 0 40 FIAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(NC(N)=O)cc1 30316641 QTVUBSLQGRYDTN-JTQLQIEISA-N 366.248 4.317 0 40 FIAB CCCCOc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 32594029 UGIKWMOEICEVML-LJQANCHMSA-N 356.466 4.025 0 40 FIAB CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(N3CCCC3=O)c2)c1 36398177 BMOARMWSLULFIU-UHFFFAOYSA-N 352.434 4.069 0 40 FIAB COc1ccc([C@H](C)NC(=O)CSCc2ccccc2C)cc1OC 38755942 ZEVQHDNESXNYSY-HNNXBMFYSA-N 359.491 4.123 0 40 FIAB CC(C)c1ccc(C(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1 40068646 PXMWTTKNOQHOKI-UHFFFAOYSA-N 368.502 4.416 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)c(C)s1 40074237 IYIRKOBKIUVYLH-KXBFYZLASA-N 372.534 4.305 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)NC2CC2)cc1 42022858 ZOWGCJCCCXRESI-KRWDZBQOSA-N 369.490 4.182 0 40 FIAB O=S(=O)(Cc1ccc(F)cc1)N(Cc1ccsc1)Cc1ccco1 42382080 FESPJAIEVQIADE-UHFFFAOYSA-N 365.451 4.012 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(SC(F)F)cc1 43119047 ZEXBSBNRRNELQW-UHFFFAOYSA-N 366.389 4.394 0 40 FIAB COc1ccc(-c2noc(Cc3nnc(-c4ccc(C)c(C)c4)o3)n2)cc1 49405312 LWGXSMVOCPAFJW-UHFFFAOYSA-N 362.389 4.003 0 40 FIAB O=C(O)c1cnc(COc2ccccc2Cl)nc1Nc1ccccc1 49469706 GVBKWGDSLRLIBL-UHFFFAOYSA-N 355.781 4.151 0 40 FIAB CC1CCC(N(C)C(=O)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)CC1 50137959 LOHVHUMWYWFDEP-MFOWVQHXSA-N 360.433 4.157 0 40 FIAB O=C(OCc1ccc(Cl)s1)[C@@H](c1ccccc1)N1CCCCC1=O 66656039 SLEWZISHUSNYSR-QGZVFWFLSA-N 363.866 4.199 0 40 FIAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(Cl)cc4)no3)o2)cc1 67246225 AZGUFWFFZRKJAL-UHFFFAOYSA-N 352.781 4.339 0 40 FIAB Cc1nnc([C@H](C)OC(=O)c2c(-n3cccc3)sc3c2CCCC3)o1 68506105 FXJGERFMLNTACG-NSHDSACASA-N 357.435 4.027 0 40 FIAB O=C(C1CCC1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349339 KQAWWSKCBYGPSM-GOSISDBHSA-N 352.453 4.318 0 40 FIAB CNC(=O)c1ccc(NCc2cnc(-c3ccccc3)s2)cc1Cl 75094646 LXUUGRNNDXKJAK-UHFFFAOYSA-N 357.866 4.435 0 40 FIAB O=C(NCCc1ccc2ccccc2n1)c1c[nH]c(=S)n1-c1ccccc1 89853272 FEKJDXGIBROGLB-UHFFFAOYSA-N 374.469 4.056 0 40 FIAB CCOC(=O)CSc1cc(C)c2cc(Br)cc(C)c2n1 95095265 HESKRKKIQMVHDP-UHFFFAOYSA-N 354.269 4.269 0 40 FIAB O=C(NCCSCc1ccnc(Cl)c1)Nc1cccc(Cl)c1 95462228 HCXUEYNSRSBBHG-UHFFFAOYSA-N 356.278 4.443 0 40 FIAB CC1(C)C[C@@H](NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CCO1 95475619 XTONVRDRXGIJOV-HKUYNNGSSA-N 374.912 4.389 0 40 FIAB O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc(OC[C@@H]2CCCO2)cc1 96939509 ISZNUIXUEFZRAZ-PMFHANACSA-N 355.821 4.391 0 40 FIAB COc1cc(CC(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)ccc1O 100751562 MTXONJKEDQLOSK-OALUTQOASA-N 369.436 4.020 0 40 FIAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 157095656 JXXJFXZFNCHNPX-INIZCTEOSA-N 352.463 4.127 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 224074482 CKFRAUDIXUDKOZ-INIZCTEOSA-N 355.331 4.318 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224388002 TXDRQTWSYTZPQJ-ROUUACIJSA-N 353.422 4.299 0 40 FIAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1cccc(OC)c1 224590700 NINNKAYJPDLHNP-UHFFFAOYSA-N 357.450 4.155 0 40 FIAB COC(=O)c1c(C)n(C(=O)c2ccc(OC)c(Cl)c2)c2ccccc12 226367782 KXQUSPQTJFTXTF-UHFFFAOYSA-N 357.793 4.087 0 40 FIAB CSc1ccc2c(c1)sc(=NC(=O)Cc1cc(C)ccc1C)n2C 244975080 IAQBOXHCSMRQIS-UHFFFAOYSA-N 356.516 4.249 0 40 FIAB Cc1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c2sccn12 257294251 QTFLUKQMOWCLIR-MRXNPFEDSA-N 357.454 4.140 0 40 FIAB O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n2cccc21 333338998 SIYOYBMZHNSRKN-QUCCMNQESA-N 361.445 4.241 0 40 FIAB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(Cl)cc3)nn2)c1 408528667 FSHVCHNNMRNRIJ-UHFFFAOYSA-N 370.792 4.033 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2ccccc2Cl)n1CC 408563163 ULGVAJLEUFHNDI-UHFFFAOYSA-N 352.891 4.025 0 40 FIAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccccc1 409086961 ICCXFSHIUSEPOP-HOTGVXAUSA-N 372.538 4.237 0 40 FIAB O=C([C@H]1CC=CCC1)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 585531529 CWYOOAIVKLLIND-HNNXBMFYSA-N 368.399 4.074 0 40 FIAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(CC3CCCCC3)C[C@H]2C[C@@H]1O 2332242858 WEHQFBXUNKLPAY-YDLSIGKMSA-N 367.537 4.169 0 40 FIAB O=S(=O)(Nc1ccc2c(c1)ncn2C1CCCCC1)c1ccc(F)cc1 1068752 KBAQMAJRMBMWEM-UHFFFAOYSA-N 373.453 4.481 0 40 FIAB Cc1ccc(C(=O)Nc2cscc2S(=O)(=O)c2ccccc2)cc1 1396383 VDOLLCNSFKCFEM-UHFFFAOYSA-N 357.456 4.142 0 40 FIAB COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2)c(O)c1 2217049 YSLBUUHJTVSAHL-UHFFFAOYSA-N 361.323 4.126 0 40 FIAB biogenic CN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 2404832 UPIGYNWMLRYHHJ-GOSISDBHSA-N 365.404 4.405 0 40 FIAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccccc3SC)noc1-2 2466048 XARKVYIBFQIZOJ-UHFFFAOYSA-N 366.442 4.423 0 40 FIAB CCc1nnc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)s1 2625850 FLBICQWIIXGWJA-UHFFFAOYSA-N 350.403 4.161 0 40 FIAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1 3340735 YHVZGLJTAWHTBM-UHFFFAOYSA-N 374.506 4.091 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1Cl 4003165 HCNZTYROWOQBNG-UHFFFAOYSA-N 353.731 4.347 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1cc(-c2ccc(Br)cc2)[nH]n1 4730585 KKTVIBAOELMNLW-IZZDOVSWSA-N 368.234 4.491 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3cc(Cl)ccc3Cl)c2c1 4731619 ZSWGWRUEQVPHRR-UHFFFAOYSA-N 363.244 4.456 0 40 FIAB biogenic Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccccc1)C(=O)CCC3 4735815 FCVLMHOXUYGHNB-UHFFFAOYSA-N 355.415 4.061 0 40 FIAB COc1ccc(CCNCC(=O)N2c3ccccc3[C@H](C)CC2(C)C)cc1 4894677 QUKFWESELZACCU-QGZVFWFLSA-N 366.505 4.146 0 40 FIAB Cc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 4966643 AGEMOIYMCGYFHZ-UHFFFAOYSA-N 370.880 4.182 0 40 FIAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 5416990 YXXVULQHELFXFJ-UNMCSNQZSA-N 357.413 4.333 0 40 FIAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 6057488 QXJJSPAXIKOIAD-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CCOc1ccc(C2=C[C@@H](c3ccccc3)N3C(=O)CSC3=N2)cc1 6207544 CEFLUFQITITMSC-SFHVURJKSA-N 350.443 4.113 0 40 FIAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc1 6394966 XOMVHDNSIJNANH-FJJYYWMZSA-N 360.866 4.208 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)C4=COCCO4)cc3)sc2c1 6946891 HECQVPMDUOERNP-UHFFFAOYSA-N 352.415 4.098 0 40 FIAB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCCc1ccccc1 6948833 MSRBEVRLMVPSIL-SFQUDFHCSA-N 354.837 4.005 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)c1C 6949092 KKVOUMIFJDPLNP-UHFFFAOYSA-N 354.494 4.446 0 40 FIAB CCc1ccc(S(=O)(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 7689406 UJLRNTOFBLAVDS-ZDUSSCGKSA-N 360.504 4.240 0 40 FIAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccc(F)c1 8072151 QQNFVMHBBATHSE-UHFFFAOYSA-N 352.203 4.384 0 40 FIAB Cc1cccc(C)c1-n1nnnc1SCCSc1ccc(F)cc1 8184562 DNVBUXUCHQWHIC-UHFFFAOYSA-N 360.483 4.303 0 40 FIAB CC(=O)c1ccc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)cc1 8270220 SSQPFOLGKMNGDK-UHFFFAOYSA-N 361.445 4.263 0 40 FIAB CS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 8921507 ILBIVVHBKUKTKZ-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB Cc1cccc(OCc2nnc(NC(=O)Nc3ccccc3)s2)c1C 9066667 RZTIRHOGINEROP-UHFFFAOYSA-N 354.435 4.378 0 40 FIAB COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c1 9566646 LLNLALBNMCHQJL-UHFFFAOYSA-N 371.462 4.178 0 40 FIAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@H]1c1ccccc1 9957045 XOALRCYHLRSOHA-DXRVJIQQSA-N 367.445 4.089 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 10456692 XLZUMMHOPZXDFW-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(S[C@H](C(N)=O)c3ccccc3)o2)cc1 10494768 JSEDAOSBIUVBIF-INIZCTEOSA-N 367.474 4.353 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)c1 10856740 MOFUYZWBMDQZBR-HXUWFJFHSA-N 359.853 4.435 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1 12507131 RLQZIIAHDXBXOF-GOSISDBHSA-N 374.271 4.175 0 40 FIAB COc1ccc(NC(=O)CCn2ccc3cc(Br)ccc32)cc1 13729713 ANACWNFDIAQJPH-UHFFFAOYSA-N 373.250 4.441 0 40 FIAB CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](O)CO 15261776 GGJRAQULURVTAJ-HGLTYHETSA-N 352.515 4.472 0 40 FIAB CC(C)c1cc(C(=O)Nc2nnc(C(C)C)s2)c2cnn(C(C)C)c2n1 16965927 ZBUUOPYHYGKATR-UHFFFAOYSA-N 372.498 4.363 0 40 FIAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)C12CC3CC(CC(C3)C1)C2 19612767 KPZXKOOCDKCNNX-KWJFTMPMSA-N 366.457 4.180 0 40 FIAB CCn1c(C)nnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 20034244 SUSTWFIDKREEME-UHFFFAOYSA-N 370.265 4.256 0 40 FIAB COc1cc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)cc(Cl)c1OC 23185052 SVDOQBFKXNMJLN-UHFFFAOYSA-N 363.885 4.254 0 40 FIAB Cc1cc(C)n(-c2ccc(CN3CCO[C@@H](c4ccc(F)cc4)C3)cc2)n1 25949558 QBZANOFQTBRWBY-JOCHJYFZSA-N 365.452 4.202 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nccn2-c2ccccc2)cc1 26128020 LDHDZHDVPSIQSO-AWEZNQCLSA-N 365.458 4.194 0 40 FIAB CCN(CC)C(=S)SCC(=O)Nc1ccc2c3c(cccc13)CC2 30836269 LEPCUDLGLPTAIS-UHFFFAOYSA-N 358.532 4.237 0 40 FIAB C[C@H](OCCCNC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 32907540 DXLNGIXPOXXRMM-KRWDZBQOSA-N 350.462 4.385 0 40 FIAB C[C@@H](C(=O)Nc1nc2ccccc2s1)N(C)Cc1ccc(Cl)s1 32932814 ANZQVZNZKZRZES-JTQLQIEISA-N 365.911 4.470 0 40 FIAB COc1ccc2c(c1)[C@@H](C)N1C(=O)c3cc(Br)ccc3[C@H]1O2 35324740 WHKBCPQATIEFFO-VVVCHXIZSA-N 360.207 4.066 0 40 FIAB CC(C)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)c(C(C)C)c1 40104929 SPEAMSOXXMXSSY-UHFFFAOYSA-N 367.497 4.078 0 40 FIAB O=C(CCc1cccs1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 40162213 FWZAXHLOWXVHHC-UHFFFAOYSA-N 357.475 4.381 0 40 FIAB Cc1c([C@@H](C)NC(=O)N(C)C2CCC(c3ccccc3)CC2)cnn1C 47005665 PLLJFMDJWFJTSC-VNCLNFNDSA-N 354.498 4.157 0 40 FIAB CNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c(C)c1 47541662 CIJJXNRTTNXYEY-ZDUSSCGKSA-N 359.857 4.233 0 40 FIAB C[C@H](Cc1ccco1)NC(=O)c1cc(-c2ccncc2)nc2ccccc12 48260403 XBEOEOZFLPBWGV-OAHLLOKOSA-N 357.413 4.251 0 40 FIAB O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(Cn2ccnc2)c1 55368327 AEKKJAIGHRRZOK-UHFFFAOYSA-N 360.461 4.174 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)cc3)C2=O)cc1 59419028 JSVXEXLPAGTTCQ-LDADJPATSA-N 368.458 4.500 0 40 FIAB O=S(=O)(Nc1ccccc1-c1cccs1)c1c[nH]c2ncccc12 65562601 LAMYTVVAYGOHPJ-UHFFFAOYSA-N 355.444 4.092 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc([S@@](C)=O)cc1)C1CC1 69351261 ZNLAMMCUVKKHSB-RZFZLAGVSA-N 361.894 4.443 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C=O)cn1 72215011 KAJWXCOLTMLXAG-QGZVFWFLSA-N 361.486 4.307 0 40 FIAB Cc1csc(COC(=O)c2sc(NC(=O)c3ccco3)cc2C)n1 72305081 HIXABWFPOQGWEF-UHFFFAOYSA-N 362.432 4.024 0 40 FIAB Cc1ccccc1[C@H](NC(=O)[C@@H](C)NC(=O)c1cccs1)C(C)(C)C 79024999 BQYCPGGXDFNFHG-PBHICJAKSA-N 358.507 4.078 0 40 FIAB CC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2ccc[nH]c2=O)S1 79487007 GFXGJXUSUHULAD-INIZCTEOSA-N 370.865 4.159 0 40 FIAB CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)/C=C/c1nc2ccccc2s1 84721866 YZHJQTDAEPDRCP-GETOMWPZSA-N 374.506 4.278 0 40 FIAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2cccnc2)SC1 95477870 LLMUIWHBNXWUAV-QGZVFWFLSA-N 370.865 4.404 0 40 FIAB COc1ccccc1[C@@H](C)CNC(=O)c1cnc(-c2ccsc2)s1 95958524 JMTGQGQTVBIPFO-LBPRGKRZSA-N 358.488 4.414 0 40 FIAB CSc1cnn(-c2ccccc2)c1NC(=O)c1ccc(Cl)nc1C 95973358 FVHXAJVUEGUULS-UHFFFAOYSA-N 358.854 4.203 0 40 FIAB COc1ccc2c(c1)CCC1=C2C[C@@H]2C(=O)[C@]1(C)CC[C@]2(C)OC(C)=O 104045880 IEWADZBTFLSQKS-FCEUIQTBSA-N 354.446 4.106 0 40 FIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 104719914 VHFLSBZEFVWDAS-BCAYIWQKSA-N 374.569 4.040 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)C)cc2)c1 218961560 AMBJJAMELWLXFQ-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)COc1ccccc1C 219610499 LELFKBJUCBUGHG-YJBOKZPZSA-N 361.869 4.390 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1Cl 222951486 OVHXMCMTDQHDEF-UHFFFAOYSA-N 368.216 4.431 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 223696570 CRJPAGZSMGITJT-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C 224285840 NXMZTXBAFKNLKN-SFHVURJKSA-N 363.457 4.419 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCC1 225626495 ISAUOBOSQCFHNR-SFHVURJKSA-N 374.525 4.228 0 40 FIAB Cc1ncsc1C(=O)N1CCC(Cc2ccnc3ccccc23)CC1 257257630 KQLZXHHVFZOICN-UHFFFAOYSA-N 351.475 4.095 0 40 FIAB S=C(NC[C@H]1CCCO1)c1ccccc1OCc1ccccc1Cl 408577557 TUABEJAUKAVWIW-OAHLLOKOSA-N 361.894 4.363 0 40 FIAB Cn1cncc1CCCSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 581559457 AFOSAYCXPDMRTM-UHFFFAOYSA-N 356.495 4.493 0 40 FIAB CN(C(=O)c1ccn(-c2ccccc2Cl)n1)C1CCC(F)(F)CC1 585083307 PJKAVERMQKXPKJ-UHFFFAOYSA-N 353.800 4.176 0 40 FIAB Fc1ccccc1Cc1cnc([C@H]2CCCN(Cc3cccnc3)C2)o1 585178866 UFTHPUQGIVJCAH-SFHVURJKSA-N 351.425 4.179 0 40 FIAB Cc1csc([C@@H](C)NC(=O)NCc2ccccc2CC(F)(F)F)n1 623558164 RPYIUOAXSUZXQK-LLVKDONJSA-N 357.401 4.117 0 40 FIAB CC(C)OC(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848507 JVWSDFXZDYTIOA-UHFFFAOYSA-N 373.718 4.227 0 40 FIAB O=C(Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CC2)c1ccccc1 1035675 YBGCBNRKNJUBBH-UHFFFAOYSA-N 367.404 4.444 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2C)c1 2210104 VRCGJFGYGGETLG-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB Cc1ccccc1-n1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21 2257604 IKZSNEXUDIUAQT-UHFFFAOYSA-N 374.444 4.420 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 2409767 PVQYPCJBBDFZAA-IAGOWNOFSA-N 367.840 4.036 0 40 FIAB COc1cccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 3008022 NHLGZFXIFXYOOO-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB OC1(/C(Br)=C(\Br)C(F)(F)F)CCCCC1 3161525 KJBSUQJPCFBOAR-VOTSOKGWSA-N 351.988 4.245 0 40 FIAB Cc1ccc(NC(=S)Nc2ccc(I)cc2)cc1 3180461 QSNZNVNQLNRJFE-UHFFFAOYSA-N 368.243 4.409 0 40 FIAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(OC(F)F)cc1 3310993 ILEDTWLDKUCSEQ-UHFFFAOYSA-N 366.452 4.207 0 40 FIAB Cc1nc(-c2c(-c3c(C)cc(O)cc3O)n[nH]c2C(F)(F)F)cs1 4131636 ZVUGOMDZRRATSL-UHFFFAOYSA-N 355.341 4.247 0 40 FIAB CC(=O)Nc1cc2c(cc1C(c1ccc(C)o1)c1ccc(C)o1)OCO2 4805717 REZCXVFRNQTSCL-UHFFFAOYSA-N 353.374 4.357 0 40 FIAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2cc(Cl)ccc21 5389303 HFTZFDDKBCAQNK-NRFANRHFSA-N 371.864 4.174 0 40 FIAB CCn1c(COc2ccccc2)nnc1SCc1cccc(OC)c1 5478720 IZGAXZPQBXRSSK-UHFFFAOYSA-N 355.463 4.178 0 40 FIAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NC1CCCC1 5866929 GZTHETUATZOSOB-UHFFFAOYSA-N 374.510 4.194 0 40 FIAB Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(C(=O)O)c3)cc2)cc1 6215120 AOWLRVRJTQSOOI-UHFFFAOYSA-N 361.397 4.378 0 40 FIAB Cc1nnc(SCC(=O)c2cc3ccccc3o2)n1Cc1ccccc1 6601976 MBRSWUOJUWTYJM-UHFFFAOYSA-N 363.442 4.356 0 40 FIAB CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)cc1 6747722 OXZHTEQVWHZOBN-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB CC1CCN(C(=O)COc2ccc(C(C)C)cc2Br)CC1 6764371 QATBQPBESRZRFP-UHFFFAOYSA-N 354.288 4.210 0 40 FIAB Cc1cc(C)c(C)c(S(=O)(=O)NCCCn2ccc3ccccc32)c1C 6822425 ONHBQNHLKFLHOT-UHFFFAOYSA-N 370.518 4.244 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccccc1F 6884455 BEMRSAZPMDYHED-UHFFFAOYSA-N 365.842 4.216 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 7217421 VRMZHIUPJORIEH-INIZCTEOSA-N 372.515 4.439 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573839 NTYUVYBMMVTFDP-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1C1CC1 7617920 RCQCHCQFWSARJC-UHFFFAOYSA-N 364.474 4.466 0 40 FIAB O=C(COc1ccccc1F)Nc1ccc(Br)cc1Cl 7748532 GAZYBKQCRUZJGU-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB CC(=O)NCc1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1 8328349 APJKPCLANHFBLO-UHFFFAOYSA-N 355.438 4.197 0 40 FIAB COc1ccccc1NC(=O)c1cccc(OCCOc2ccccc2)c1 8563533 RIIATUZHAPMEPZ-UHFFFAOYSA-N 363.413 4.405 0 40 FIAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 9232146 BTSVKZKPMXRTAG-UHFFFAOYSA-N 361.825 4.131 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(F)c(F)c1F 9364431 UCJTZOUEHAWLQQ-MRXNPFEDSA-N 360.335 4.007 0 40 FIAB O=C(CSc1nccn(-c2ccc(Cl)cc2)c1=O)c1ccc(F)cc1 9639735 LATQHVDLNCIAPE-UHFFFAOYSA-N 374.824 4.000 0 40 FIAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccn3)ccc2o1 9660038 GACTVVAPZJSNSL-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB CCOc1ccccc1C(=O)Nc1nnc(CSc2ccccc2)s1 9667429 WQRLGNHQZAJQSN-UHFFFAOYSA-N 371.487 4.481 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCCc2ccccc2Cl)c(C)c1 10543199 DNCCASUWAFXCEY-UHFFFAOYSA-N 351.899 4.176 0 40 FIAB Cc1n[nH]c(SCc2csc(-c3cccc(Br)c3)n2)n1 11702606 WRMKKTKZFGSZNI-UHFFFAOYSA-N 367.297 4.291 0 40 FIAB CC[C@H](NC(=O)c1nn2c(C)cc(C)nc2c1Cl)c1ccc(F)cc1 12199829 VFIRDEYCOQSESK-AWEZNQCLSA-N 360.820 4.020 0 40 FIAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)C2CCCCC2)C1 12221080 VFPZATDITUEIJN-IBGZPJMESA-N 364.493 4.249 0 40 FIAB CC(C)c1ccc(NC(=O)CN2C(=O)SC(=C3CCCC3)C2=O)cc1 12580513 MLJKNVSTLWPBHH-UHFFFAOYSA-N 358.463 4.272 0 40 FIAB CC(C)c1n[nH]c(S[C@@H](C(=O)Nc2ccccc2)c2ccccc2)n1 12757523 MDBQIWPGAFBPAL-MRXNPFEDSA-N 352.463 4.400 0 40 FIAB C[C@@H]1CN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C[C@@H](C)O1 12816699 RCUIPEGQWTXKNY-VXGBXAGGSA-N 353.340 4.215 0 40 FIAB C[C@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(OC(F)F)cc1 12825363 LHZIKKBUTHKSHI-QMMMGPOBSA-N 361.175 4.481 0 40 FIAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccccc1C(F)(F)F 12855020 HSAOKHYEXFCGRR-CYBMUJFWSA-N 373.421 4.221 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c1 12987234 YTTPAJLTEDBMLK-FQEVSTJZSA-N 357.837 4.189 0 40 FIAB CC(C)NC(=O)CC1(C(=O)Nc2ccc(SC(F)F)cc2)CCCC1 14197239 GCBDTTQFYCXQKB-UHFFFAOYSA-N 370.465 4.415 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)c3ccc(Br)o3)n2)s1 15860000 LYZBPSHGZXGNSW-UHFFFAOYSA-N 370.253 4.183 0 40 FIAB Cc1ccc(CCC(=O)N2CCC(c3onc4c3C[C@H](C)CC4)CC2)o1 19216383 MKDFCZNCYADZKS-CQSZACIVSA-N 356.466 4.040 0 40 FIAB Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4ccsc4)C3)o2)s1 19217574 DNCSAMYCGJTJKB-LBPRGKRZSA-N 359.476 4.188 0 40 FIAB Cc1cccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)n1 19236120 MZBIACVSVXTYIT-UHFFFAOYSA-N 352.526 4.096 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1 20040956 IQWOJBPZWMXPOS-OAHLLOKOSA-N 365.429 4.054 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)c1cc2ccccc2c(=O)[nH]1 21590308 CACHSEJTIXFCSI-UHFFFAOYSA-N 362.410 4.009 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3Cl)no2)cc1 21800555 XLMHCLMRKCBLHR-GFCCVEGCSA-N 357.797 4.104 0 40 FIAB CCCOc1ccccc1NC(=O)CNc1ccccc1OC(F)F 22728746 QMYWFBGCSFAGQI-UHFFFAOYSA-N 350.365 4.127 0 40 FIAB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1 25391643 FLHLXFIGHIEGOF-UHFFFAOYSA-N 369.490 4.241 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)N[C@@H](c1ccccc1)C1CC1 31104403 YCUNIASHTDGGKO-FQEVSTJZSA-N 365.477 4.354 0 40 FIAB CC(C)(C)NC(=O)[C@@H](OC(=O)c1cccs1)c1ccc2ncccc2c1 35311513 IFHVRAONRNHUFM-KRWDZBQOSA-N 368.458 4.109 0 40 FIAB O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1ccc2[nH]cnc2c1 38768058 IEBQNEDHQJSYKD-UHFFFAOYSA-N 359.341 4.321 0 40 FIAB COc1ccc(-c2nc(CSc3nnnn3C3CCCCC3)co2)cc1 40050540 QRZYEQKIACIWLX-UHFFFAOYSA-N 371.466 4.134 0 40 FIAB COc1ccccc1CC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 40107905 PHLNDVKPPNRILJ-KRWDZBQOSA-N 352.478 4.108 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c3c(cccc13)CC2 40158891 OSBFZEOTTQICER-SFHVURJKSA-N 366.461 4.276 0 40 FIAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 56423690 VCYMWFHNHKOLJN-IBGZPJMESA-N 351.450 4.160 0 40 FIAB C[C@H](c1ccccc1Cl)N(C(=O)c1ccc2c(c1)OCC(=O)N2)C1CC1 57250981 VGSDCRCTHBKTTB-GFCCVEGCSA-N 370.836 4.037 0 40 FIAB COc1c(Br)cc(C(C)(C)C)cc1C(=O)NC1CCCC1 57339390 INIJHQBFGCNEDV-UHFFFAOYSA-N 354.288 4.428 0 40 FIAB CC[C@@H](C)n1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1 58208627 ITGPBWQJLSEYSY-GFCCVEGCSA-N 373.507 4.103 0 40 FIAB O=C(CCCOc1ccccc1)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 58224589 XQJDOMWXIXRRQH-UHFFFAOYSA-N 362.433 4.147 0 40 FIAB c1ccc2nc(-c3nnc(-c4cnc5onc(C6CC6)c5c4)o3)ccc2c1 75136588 BHYGJQWAXURKRY-UHFFFAOYSA-N 355.357 4.365 0 40 FIAB Cc1cc(NC[C@H](c2cccs2)N2CCOCC2)c2ccccc2n1 89583141 RMPMKFCEOSREAL-LJQANCHMSA-N 353.491 4.090 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)Cn1c(C2CCCCC2)nc2ccccc21 90225425 PSSXEOGDPAIOGD-UHFFFAOYSA-N 351.454 4.063 0 40 FIAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1OC 100636844 OYXWIICNHVVGLQ-MRXNPFEDSA-N 368.824 4.005 0 40 FIAB O=C1C[C@H](N(O)c2ccc(Cl)cc2)C(=O)N1c1cccc2ccccc12 101094566 MRLLJUFTHQSWEC-SFHVURJKSA-N 366.804 4.021 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219502963 FVEYCJNUVUKWKP-NVXWUHKLSA-N 369.461 4.190 0 40 FIAB CC(C)Oc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 219735168 RXXRIABEDGALPG-UHFFFAOYSA-N 358.869 4.090 0 40 FIAB CC(C)Oc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222579649 FWANPHAVPSLNOD-ZOCIIQOWSA-N 353.491 4.458 0 40 FIAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 225220043 RNCWFXGZCSCMLW-ZDUSSCGKSA-N 357.325 4.366 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 225473628 WIPIPLOOJSCDKO-CYBMUJFWSA-N 357.454 4.000 0 40 FIAB CC1(C)C[C@H](NC(=O)Cc2cccc(Br)c2)c2ccccc2O1 225620776 QHUKNXUZFLJCOI-INIZCTEOSA-N 374.278 4.410 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cn1 225868155 GYKDSGYTPILSSM-UHFFFAOYSA-N 372.440 4.087 0 40 FIAB Cc1c(Cc2ccccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cn1 299861046 HNZNVWVVPQVTKE-UHFFFAOYSA-N 366.440 4.365 0 40 FIAB CC(C)(C)c1csc(C2CCN(C(=O)c3cnn4ccccc34)CC2)n1 604867732 GUISNVFCGHAGEA-UHFFFAOYSA-N 368.506 4.108 0 40 FIAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Cl)cc1 633612 IRLUUOKUJMDTAG-MRXNPFEDSA-N 370.619 4.060 0 40 FIAB CC1(C)[C@]2(C(=O)Nc3ccccc3Br)CC[C@@]1(C)C(=O)C2 1158449 TZJLSLPWZMTWCK-DLBZAZTESA-N 350.256 4.173 0 40 FIAB CCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21 2292298 KPINVXKVJCBWQJ-UHFFFAOYSA-N 359.433 4.219 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCC2 2360306 IHZLNANEPDSQNC-FMIVXFBMSA-N 371.458 4.074 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2s1)NCc1ccc(F)cc1 3253164 XUXDRGJPHRRLSA-UHFFFAOYSA-N 366.870 4.497 0 40 FIAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 3326895 PNBAUVYSXUMGAJ-NSHDSACASA-N 354.233 4.258 0 40 FIAB O=C(NCCCCCCCCNC(=O)c1cccs1)c1cccs1 4321533 DWMOFWVIEBUCBS-UHFFFAOYSA-N 364.536 4.310 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1C 4703962 BOLAIHKPZFGOIX-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB CCCCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1C 5424235 KTXIILRJIGFDQA-AWEZNQCLSA-N 350.528 4.078 0 40 FIAB FC(F)(F)c1ccccc1NC(=S)N1CCN(c2ccccc2)CC1 5593390 VQORUDARPXDROT-UHFFFAOYSA-N 365.424 4.224 0 40 FIAB c1ccc(Cn2c(SC[C@@H]3CCCCO3)nnc2-c2ccco2)cc1 6606209 FBUZCGLBKKLGBI-INIZCTEOSA-N 355.463 4.248 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(F)ccc3F)n2)cc1 6789455 QRAVPEDPSPUNDV-UHFFFAOYSA-N 374.416 4.043 0 40 FIAB Cc1cccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)c(C)s2)c1 7259356 ASNOHJXGKLULJD-UHFFFAOYSA-N 358.488 4.465 0 40 FIAB Fc1ccccc1-c1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)o1 7602145 XHBRRZPTLVMBBE-UHFFFAOYSA-N 367.409 4.145 0 40 FIAB COc1cccc(-c2nc(CC(=O)NC3CCC(C)CC3)cs2)c1OC 8395369 CZHLEISJAAICHD-UHFFFAOYSA-N 374.506 4.065 0 40 FIAB COc1ccccc1Nc1nc(N)nc(CSc2ccc(Cl)cc2)n1 8486334 PYEBWRSGCBDJMH-UHFFFAOYSA-N 373.869 4.152 0 40 FIAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC=C(c2ccccc2)CC1 8941059 UINJUBAQWAQKSR-OAHLLOKOSA-N 372.415 4.404 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)c1ccc(F)cc1 9038420 QHIZHYHSOJNDDE-UHFFFAOYSA-N 374.415 4.277 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(-c2nnco2)cc1 9535501 RZGIYJJUHNHSNR-UHFFFAOYSA-N 363.373 4.030 0 40 FIAB CC(C)c1ccc(CN(C(=O)Cc2ccc3c(c2)OCCO3)C2CC2)cc1 9549130 OVLSSRVGZVRXNL-UHFFFAOYSA-N 365.473 4.315 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 9679634 VPOBXSKLFQSMAY-UHFFFAOYSA-N 365.433 4.435 0 40 FIAB CSc1ccc(CN(C)C(=O)c2cncn2-c2ccc(F)cc2)cc1 12529412 FPOKOZGVWLMRBV-UHFFFAOYSA-N 355.438 4.006 0 40 FIAB O=C(CCn1cnc2ccccc21)Nc1ccc(OC(F)F)c(Cl)c1 12535814 BSAHWBZJDDVTDG-UHFFFAOYSA-N 365.767 4.320 0 40 FIAB CCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 12651282 KEOXTDRLPMHAMV-UHFFFAOYSA-N 372.428 4.244 0 40 FIAB CCc1nc2ccccc2c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 12772387 URBOFYFJDXUYJY-UHFFFAOYSA-N 373.456 4.485 0 40 FIAB CCOC(=O)[C@@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1 12979930 HGVBJWGKMKBCNX-CQSZACIVSA-N 367.474 4.138 0 40 FIAB O=C(CCC1CCCC1)NCC1CCN(C(=O)CCC2CCCC2)CC1 13324167 CYIKCHZYTGBPPV-UHFFFAOYSA-N 362.558 4.282 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 13494923 GJINBJOYOPFYGL-GFCCVEGCSA-N 371.824 4.280 0 40 FIAB O[C@H](COc1ccccc1)Cn1c(-c2cccs2)nc2ccccc21 14288037 LEJKSGLUKPJYPB-HNNXBMFYSA-N 350.443 4.205 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3OC)no2)cc1 15300629 HWLHJDZFODGUFR-SFHVURJKSA-N 365.433 4.091 0 40 FIAB CC[C@H](CNC(=O)c1ccccc1NC(=O)NC(C)C)c1ccccc1 15537969 TZPUFWDKMSJYLN-MRXNPFEDSA-N 353.466 4.140 0 40 FIAB Cc1nc([C@H](Cc2ccsc2)NC(=O)CCc2cccnc2)sc1C 19559752 NKTRWLIUMTVZSX-KRWDZBQOSA-N 371.531 4.249 0 40 FIAB COC(=O)c1cc2cc(NC(=O)/C=C/c3ccc(OC)cc3)ccc2s1 20030226 MZFHJMVBASKGLN-BJMVGYQFSA-N 367.426 4.348 0 40 FIAB O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1 20145380 SSKJGVMSLUOTSS-ZRDIBKRKSA-N 365.360 4.365 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1C 20490543 PYMYRSCSUCHNIO-LJQANCHMSA-N 361.482 4.341 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCC(C)C 20491172 CDVALCJYLIQWDJ-LJQANCHMSA-N 368.477 4.177 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1C 27746575 ZOMHUKGOYNZCCH-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Cc1c([C@@H](C)NC(=O)c2ccco2)cnn1-c1cccc(C(F)(F)F)c1 29317426 OWGLDLVYDOIVGQ-LLVKDONJSA-N 363.339 4.284 0 40 FIAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccc(F)cc1 32094565 OXETZODDZFQQNH-UHFFFAOYSA-N 363.348 4.290 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@H]3CCc4ccccc43)n2)cc1 32905309 DGWOQAIJZMOWNF-IBGZPJMESA-N 361.445 4.124 0 40 FIAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1sccc1-c1ccccc1 32986399 NIJZEVDNERCKDP-LJQANCHMSA-N 362.498 4.419 0 40 FIAB CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(-n2nc(C)cc2C)nc1 33158771 IZMSIBQUTXOQKZ-UHFFFAOYSA-N 362.477 4.245 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1 36846071 LRDQBCSLIKBNJU-GFCCVEGCSA-N 358.854 4.040 0 40 FIAB COc1ccc(CCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38848953 PAICLZZGJDLVFX-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)cc1F 40106529 STRKDHXQTLNCTQ-LBPRGKRZSA-N 351.805 4.134 0 40 FIAB C[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 42346855 USWJCCQSESJNCX-AWEZNQCLSA-N 374.868 4.404 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)c1 45890145 PQVNYKWKRUUOIR-UHFFFAOYSA-N 355.463 4.130 0 40 FIAB Cc1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ncn1 49026050 WBMFTBCVTSSBLO-UHFFFAOYSA-N 361.776 4.188 0 40 FIAB COc1ccc(CN2C(=O)C3=C(CCCC3)[C@@H]2NCc2ccccc2)cc1 57153994 BESXKYMMPOZABU-JOCHJYFZSA-N 362.473 4.024 0 40 FIAB CCOCCOCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 58010660 NZJKLKRDRFQJDE-UHFFFAOYSA-N 362.495 4.099 0 40 FIAB CCOCCCn1c(SCc2cccc(F)c2)nc2ccccc2c1=O 67259170 AXMPMPCGHLPVFF-UHFFFAOYSA-N 372.465 4.255 0 40 FIAB O=C(COc1ccc(Br)cc1)NCc1ccc2ccccc2c1 71861489 XLCFZFUMKIPUCF-UHFFFAOYSA-N 370.246 4.298 0 40 FIAB CCn1cc(CN2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cn1 72375508 MIKVCZHWKNBEJG-IBGZPJMESA-N 362.481 4.082 0 40 FIAB CC(C)c1nccn1-c1cccc(C2CCN(C(=O)C3CCCC3)CC2)n1 72378508 NPLPHBKDHRYIHJ-UHFFFAOYSA-N 366.509 4.287 0 40 FIAB CS(=O)(=O)c1c(Cl)cccc1NCc1cc(-c2ccccc2)no1 75093221 CQXOPZBELHCVPK-UHFFFAOYSA-N 362.838 4.011 0 40 FIAB C[C@]12CCC(=O)C=C1C[C@H](C#N)[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1 77286122 WNGVOIAMSWIYGK-QNDSMEEOSA-N 365.473 4.264 0 40 FIAB in-vitro C[C@H](C(=O)Nc1ccc2cn[nH]c2c1)c1ccc(Br)s1 79449028 MAXXKJBTRHHPOB-QMMMGPOBSA-N 350.241 4.129 0 40 FIAB Cc1ccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccc(Cl)cc2)cc1 84150626 GELSRQYEHFSQHO-GOSISDBHSA-N 358.869 4.491 0 40 FIAB O=C(c1ccc2nsnc2c1)N(Cc1ccoc1)Cc1cccs1 90612150 INPSBAKDQNMUAP-UHFFFAOYSA-N 355.444 4.188 0 40 FIAB c1coc(-c2nnc(SCCCn3ccnc3)n2C2CCCCC2)c1 95468083 FZPGBAUSRNAKQD-UHFFFAOYSA-N 357.483 4.422 0 40 FIAB COc1ccc(-c2nnc3sc(-c4sc(C)nc4C(C)C)nn23)cc1 95473041 GNYGNZXUHAGXRE-UHFFFAOYSA-N 371.491 4.417 0 40 FIAB Cc1nc(CN2CC[C@@]3(C2)CN(c2ccccc2)CCC3(F)F)cs1 96078122 JFTQKXKEGAZNAD-GOSISDBHSA-N 363.477 4.189 0 40 FIAB CC(C)CCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21 100500021 MLPTXZWACCPYCH-UHFFFAOYSA-N 368.408 4.145 0 40 FIAB Cc1cccc(N2CCN(C(=O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)c1 109008565 SYMKOGDMUADEFZ-ILWGZMRPSA-N 372.553 4.121 0 40 FIAB COc1ccc(CSCC(=O)NCc2cccc(OC(C)C)c2)cc1 113933056 HMLRFDUBONMQRP-UHFFFAOYSA-N 359.491 4.032 0 40 FIAB Cc1nnc(SCC(=O)c2ccc3c(c2)CCO3)n1[C@H]1CCC[C@H](C)C1 127160880 MCQJJIQEBPWOOM-GUYCJALGSA-N 371.506 4.248 0 40 FIAB COc1cccc2c1CCCCN2C(=O)CCc1nc(C2CCCC2)no1 129199651 GAJKRXTTWPIVGD-UHFFFAOYSA-N 369.465 4.038 0 40 FIAB COC(=O)c1c(C)n(C(=O)COc2ccccc2Cl)c2ccccc12 216748480 DONJSHLRUREWPR-UHFFFAOYSA-N 357.793 4.109 0 40 FIAB COc1cccc(C(=O)N2CCS[C@H](c3ccccc3C)CC2)c1OC 219274505 WFXFGRATYYSBLU-IBGZPJMESA-N 371.502 4.333 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2cccc3c2CCCC3)c1 222589939 RQVFIKHUKGFSCH-UHFFFAOYSA-N 373.836 4.023 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 222610506 KAEGTZKVZYFGNX-KRWDZBQOSA-N 351.368 4.488 0 40 FIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(O)c(Cl)c3)N21 222664725 QMDJNMDWJTVICD-JCURWCKSSA-N 359.882 4.420 0 40 FIAB C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)C1 223934988 DLLQRMWZWKQSCT-AWEZNQCLSA-N 374.941 4.458 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)c(Cl)c1Cl 224612468 VOBWNEDIWWIWMH-UHFFFAOYSA-N 374.289 4.444 0 40 FIAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC1CCCCC1 225128251 ZAKNHOHJXCFWKK-FQEVSTJZSA-N 358.526 4.351 0 40 FIAB CCc1nc2ccc(NC(=S)NCCc3ccc(OC)cc3)cc2s1 225207167 TYHYFBMDAHBMAT-UHFFFAOYSA-N 371.531 4.396 0 40 FIAB COC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2Cl)c1 225306816 RRKOVCRJMZQQPS-UHFFFAOYSA-N 369.273 4.267 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1 225454813 WDUNJEDYSOCWCW-UHFFFAOYSA-N 366.490 4.146 0 40 FIAB COc1ccc(NC(=S)N[C@@H](C)COc2ccc(C)cc2)cc1Cl 225640784 RGIWFGPUYWCZAH-ZDUSSCGKSA-N 364.898 4.411 0 40 FIAB Cc1ccccc1[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225754307 PDJQFWDIEOEEHT-HNNXBMFYSA-N 353.491 4.169 0 40 FIAB CCOCCOc1ncc(NC(=O)C2(c3ccccc3)CCCC2)cc1C 225859573 FKRGGPNCWPXTIT-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 665485 SJHWELIUKDCXDA-UHFFFAOYSA-N 350.805 4.401 0 40 FIAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NCc2ccccc2)CC1 1336631 NYCXLYHGGRIUTB-UHFFFAOYSA-N 356.853 4.145 0 40 FIAB O=C(Nc1ccc(Cl)cc1)O[C@H](CN1CCCCC1)C(F)(F)F 1392962 CKBUUYNZCZQIKU-CYBMUJFWSA-N 350.768 4.305 0 40 FIAB O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SC(F)F 1410306 AVLXVELKLRFYSQ-UHFFFAOYSA-N 358.316 4.241 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 1993700 PTRZVQSCQQYXTC-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CC(C)(C)c1ccc(C(=O)C[C@@H](NCc2ccc(Cl)cc2)C(=O)O)cc1 2570983 SZRDBNDTKBULBA-GOSISDBHSA-N 373.880 4.453 0 40 FIAB O=C(CCc1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 2654353 HYDAMJDGWSBWQS-UHFFFAOYSA-N 372.468 4.230 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2-c2ccccc2)cc1 3410021 AJAZURHRYAGUPF-CQSZACIVSA-N 367.474 4.338 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 3451578 VYANBQFWONZXJW-IBGZPJMESA-N 372.896 4.143 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1 3598876 IOZXXTBPPIQVCF-CQSZACIVSA-N 351.402 4.324 0 40 FIAB Cc1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1 3606499 JZBCSUYCNLYXHM-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB CC(C)N1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4554699 ZPHVJNSEHFZJEP-HSZRJFAPSA-N 359.425 4.055 0 40 FIAB CC1CCN(C2CCN(Cc3ccccc3Br)CC2)CC1 4746383 RAXQPHZGJLRKAZ-UHFFFAOYSA-N 351.332 4.145 0 40 FIAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)c1ccc(Cl)cc1 4890508 SSEPSDOHOWYSEN-NSHDSACASA-N 361.829 4.423 0 40 FIAB Nn1c(SCc2cccc3ccccc23)nnc1-c1ccccc1F 4986227 DAKGULOLOHPIQA-UHFFFAOYSA-N 350.422 4.244 0 40 FIAB CCc1ccc2c(COC(=O)c3cc4c(s3)CCC4)cc(=O)oc2c1 5308433 UQQJNOKPGDKIPN-UHFFFAOYSA-N 354.427 4.263 0 40 FIAB COc1ccc(NC(=O)CCCSc2nc3ccccc3[nH]2)cc1OC 6009342 BEDTWKANOKBVMJ-UHFFFAOYSA-N 371.462 4.091 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Br)s1 6191379 ZJNFOQABHVJICF-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB aggregator CC(C)c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 6315652 SIDUXJQIOGZQGN-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB CCCC[C@](CC)(CCCNC(=O)c1ccco1)CNC(=O)c1ccco1 6635930 SLMFTUUOTKANSG-OAQYLSRUSA-N 374.481 4.399 0 40 FIAB COC(=O)c1ccc(CSc2nnc(NC3CCCCC3)s2)cc1 6638095 OVTRDRFTRRVJLV-UHFFFAOYSA-N 363.508 4.362 0 40 FIAB O=C(CSCC(=O)Nc1cccc2ccccc12)Nc1ccccc1F 6784862 IMIWNEKHABKPAJ-UHFFFAOYSA-N 368.433 4.289 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(Br)cc2F)cc1F 7200566 FAASHYPPZKPVPB-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB COc1ccc2c(CC(=O)OCC(=O)c3ccc(Cl)cc3)coc2c1 7238848 NZUWLBOBVREKLU-UHFFFAOYSA-N 358.777 4.063 0 40 FIAB COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 7652427 IWYNUZXMOVTKAS-GOSISDBHSA-N 374.868 4.132 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2)cc1 7686229 RSJVHYBYKKHTSN-FCHUYYIVSA-N 359.425 4.041 0 40 FIAB O=c1c2ccccc2nc(SCc2cc(-c3ccco3)on2)n1C1CC1 7862068 GIPADTSCCGNNKH-UHFFFAOYSA-N 365.414 4.272 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2C)n1 8476591 HTOABMWBCGZYJN-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB CCCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 8794039 JOXKFBQVQUEQAZ-UHFFFAOYSA-N 359.476 4.211 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(C)c3)cc21 8959717 RUIQKXMZBTWMFQ-UHFFFAOYSA-N 366.461 4.409 0 40 FIAB COc1ccccc1-c1nc(COC(=O)c2cccnc2SC)cs1 11465683 DDGYKUZMBBDOCE-UHFFFAOYSA-N 372.471 4.293 0 40 FIAB Cc1cccc(Cn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667289 QGOTXZTUXQLAIC-MRXNPFEDSA-N 359.429 4.477 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)c1 11913881 TXJQWXWYLPINSJ-UHFFFAOYSA-N 358.344 4.254 0 40 FIAB Cc1cn2c(CC(=O)Nc3ccc(SC(F)F)cc3)csc2n1 12525070 DPVANLDNLWFCIY-UHFFFAOYSA-N 353.419 4.200 0 40 FIAB CCCCN(C)C(=O)c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 12802817 UQWYLGNCIKZIFW-UHFFFAOYSA-N 358.442 4.007 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1csc(-c2cccs2)n1 12973205 PHYGSRKYLPQASW-UHFFFAOYSA-N 358.444 4.301 0 40 FIAB Cc1c(Cl)cccc1NC(=S)N1CCN(Cc2ccccc2)CC1 13470976 MBCIKLANSDAENL-UHFFFAOYSA-N 359.926 4.163 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2c(c1)OCCO2 14258494 FYEIQBYPNXHCJH-UHFFFAOYSA-N 354.189 4.026 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(F)cc1 14637894 TZILGDOGIASWCZ-LJQANCHMSA-N 369.465 4.400 0 40 FIAB COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 14929583 KJFQIAUVCHHYBP-DJJJIMSYSA-N 360.404 4.138 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832051 QKJWRJHTJBBVQL-AWEZNQCLSA-N 368.408 4.140 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(C(F)(F)F)cc1 16129596 OPPLRLKZOCRWLI-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB Cc1ccccc1-c1nc(CSc2nc3c(c(=O)[nH]2)CCCC3)c(C)o1 16841827 CXOSMPBGBYLAOA-UHFFFAOYSA-N 367.474 4.213 0 40 FIAB CCOc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1 18130854 NDTKPKHPXKSDBF-UHFFFAOYSA-N 354.233 4.201 0 40 FIAB O=C(NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 18205595 HSXJOLXLHNRTTI-UHFFFAOYSA-N 363.866 4.023 0 40 FIAB Cc1ccc(NC(=O)COc2c(Cl)cc(C=O)cc2Cl)cc1C 20393750 URNVVRFBEOEONW-UHFFFAOYSA-N 352.217 4.440 0 40 FIAB Cc1cc(NC(=O)c2cccs2)n(-c2nc3c(F)cccc3s2)n1 21685364 FYIKHHBGWRLNFN-UHFFFAOYSA-N 358.423 4.243 0 40 FIAB CCONC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 23751943 YVYBKZAHPPCHPY-UHFFFAOYSA-N 358.467 4.039 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(CN(CC)CC)cc1 30848281 MSLFCHSRPHGFSP-HXUWFJFHSA-N 358.457 4.464 0 40 FIAB C[C@@H](NC(=O)COc1cnc(-c2ccccc2)nc1)c1cc2ccccc2o1 31785170 GRLQWBBDLSSPLL-OAHLLOKOSA-N 373.412 4.146 0 40 FIAB C[C@@H](C(=O)N1CCC(CCc2ccccc2)CC1)n1cnc2ccccc21 31820622 LAWGHSMRSLWXTD-SFHVURJKSA-N 361.489 4.469 0 40 FIAB COc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 32193630 AGSMEPVAMDJFHH-UHFFFAOYSA-N 372.222 4.100 0 40 FIAB O=C(NCc1cccs1)Nc1ccccc1NC(=O)c1ccccc1F 36709631 IMDFUWMGSSWDFB-UHFFFAOYSA-N 369.421 4.461 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)c1 38771326 OONZSBKQBUQDDO-GOSISDBHSA-N 355.434 4.276 0 40 FIAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39761025 JVWGHQYTIDSNTG-SFHVURJKSA-N 366.505 4.093 0 40 FIAB C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1cccnc1 40049907 QVPFVYIEOXHYCD-CYBMUJFWSA-N 355.488 4.321 0 40 FIAB COc1cc(OC)c(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl 40103507 DHYANUBZUSFUSQ-SECBINFHSA-N 366.767 4.163 0 40 FIAB CCCN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 40104798 KIMJWRJLOWIIMS-UHFFFAOYSA-N 365.477 4.367 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(-n2cccn2)cc1 40105143 SMYMVHVWWGBNQM-UHFFFAOYSA-N 360.244 4.038 0 40 FIAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC(Cc2ccccc2)CC1 40478394 CPYPMKJOMBUFFH-UHFFFAOYSA-N 363.436 4.311 0 40 FIAB CCOc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1 42668387 LZCQJLUOTDTSMV-UHFFFAOYSA-N 364.401 4.290 0 40 FIAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccccc3Cl)n2)cc1 49006898 NCSJHRGTWFQPMF-UHFFFAOYSA-N 367.836 4.431 0 40 FIAB FC(F)(F)c1cccc(C2(CNc3cncc(Cl)n3)CCOCC2)c1 54981796 PEUXPHBWZMCSHV-UHFFFAOYSA-N 371.790 4.309 0 40 FIAB CCN(c1ccc(NC(=O)CN(C)c2ccc(Cl)cn2)cc1)C(C)C 57888688 HUUVAVSRZHBMNY-UHFFFAOYSA-N 360.889 4.045 0 40 FIAB CC(C)c1nc([C@@H]2Nc3ccccc3C(=O)N2c2ccncc2)cs1 58066021 PNGWWJRKPKMOIA-QGZVFWFLSA-N 350.447 4.433 0 40 FIAB O=C(NC1CCSCC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 58418727 HWOXXSLGIRYPCW-FQEVSTJZSA-N 365.502 4.006 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(Br)cc1Cl 59328561 ZZHBVWBCJMQJBH-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccnc1 59723325 PMHWFDNNHKPKMR-UHFFFAOYSA-N 371.444 4.500 0 40 FIAB O=C(/N=c1\ccccn1C(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 65099979 HKKGOISNRIGSPY-OQKWZONESA-N 371.223 4.225 0 40 FIAB COc1cc(OC)c([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1OC 71279810 RFRLSQKESLHCHW-ZDUSSCGKSA-N 371.437 4.148 0 40 FIAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CC[C@H](C)C1 75581967 TUVLNSKFAVEPPU-LBPRGKRZSA-N 359.267 4.302 0 40 FIAB O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cnn(Cc3ccco3)c2N1 78549357 WNSDVEAMEZARRH-LBPRGKRZSA-N 362.216 4.305 0 40 FIAB COc1ccc([C@H]2OC3=Nc4cc(Cl)ccc4NC3=C2O)c(OC)c1 104240145 VXYRYNZDBOAYHU-QGZVFWFLSA-N 358.781 4.354 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccccc1 113935545 FHARYNRGJIBIBU-LBPRGKRZSA-N 374.289 4.432 0 40 FIAB O=C(Cc1n[nH]c2ccccc12)N[C@H]1CC2(CCCC2)Oc2ccccc21 130111120 FYUPCSATHMNOEA-IBGZPJMESA-N 361.445 4.058 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 216452690 KKHNSNOQHOAQND-FQEVSTJZSA-N 366.461 4.226 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219577695 NVDWTVCKTUFVNO-IRXDYDNUSA-N 357.425 4.402 0 40 FIAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(C)cc1C)CCCC2 222894787 SRLDGXUHTQYWGN-INIZCTEOSA-N 373.518 4.230 0 40 FIAB COc1ccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 223448697 DKPXFLHHGMOMOL-PTGBLXJZSA-N 373.452 4.431 0 40 FIAB CC(C)Sc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 224993132 XYJNPLMZRNOMCQ-UHFFFAOYSA-N 371.915 4.488 0 40 FIAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1 225149703 PTILHKPZNXYPEW-OAHLLOKOSA-N 364.917 4.306 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SC(C)C)s1 225530997 RMOLHEXLFOEYQM-LBPRGKRZSA-N 371.915 4.488 0 40 FIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225698795 HNSXOBMMZPJXOY-NRFANRHFSA-N 364.530 4.331 0 40 FIAB Cc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1Cl 225734205 WERLOGAWYRCTQQ-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225833740 HHNSIJGVAKPBIE-KXBFYZLASA-N 357.450 4.047 0 40 FIAB CCCOC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225837686 ACNNHZPOEFPSJE-UHFFFAOYSA-N 365.470 4.042 0 40 FIAB NNc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 226310620 HCVSQISHKBZXCQ-UHFFFAOYSA-N 353.234 4.141 0 40 FIAB COc1ccc(NC(=O)c2ccc(-c3ccc(OC)c(Cl)c3)o2)c(N)c1 226348732 NOTZGYBCHWPHEW-UHFFFAOYSA-N 372.808 4.452 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2N)cc1 226358691 JBWSVVQQMAHPTP-UHFFFAOYSA-N 363.255 4.172 0 40 FIAB COCCOc1ccc(C(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 390831916 VXOPHRFDKWEPKY-KRWDZBQOSA-N 365.539 4.238 0 40 FIAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCC(C)C 408681003 VOSUVNZCLIVUAA-UHFFFAOYSA-N 356.491 4.437 0 40 FIAB Cc1cccc(Cc2sc(NC(=O)c3cn(C)nc3C3CC3)nc2C)c1 585085339 WGDOVMLAOBFAAC-UHFFFAOYSA-N 366.490 4.214 0 40 FIAB CC(C)c1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 795349 WYRTZYLQNHCBFA-MRVPVSSYSA-N 360.266 4.374 0 40 FIAB COc1ccc(-n2c(SC)nnc2-c2ccc(Cl)cc2)c(OC)c1 856383 YIECYWQXYMAJPD-UHFFFAOYSA-N 361.854 4.327 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1 888470 QRLNSJISNICXJF-UHFFFAOYSA-N 355.488 4.301 0 40 FIAB COc1ccc2cc(C)c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nc2c1 932979 HMXGZNKTQWYJIV-HUUCEWRRSA-N 358.507 4.433 0 40 FIAB O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NC1CCCCC1 1003960 UZEYLJFUTVTQHF-OUKQBFOZSA-N 354.475 4.463 0 40 FIAB Cc1ccc(F)cc1NCN1C(=O)/C(=C/c2ccccc2)SC1=S 1004920 PEDQVPVPRNELPP-SXGWCWSVSA-N 358.463 4.405 0 40 FIAB O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2ccc(Cl)cc2)nn1 1387974 QAAYVSWZIXUNMU-UHFFFAOYSA-N 363.204 4.323 0 40 FIAB aggregator Cc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(C(F)(F)F)c1)C3 2158527 FFJWODOSBLSTGU-UHFFFAOYSA-N 361.319 4.477 0 40 FIAB biogenic Cc1ccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)cc1 2440371 BGQIEKDPVSUSEP-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1 2468183 QFSLVVOEFNIDKZ-UHFFFAOYSA-N 373.428 4.498 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c1 3233042 PGHCCKHECJIIHB-VXGBXAGGSA-N 355.887 4.008 0 40 FIAB CCSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1 3490680 ACASYVSXBXSPAH-GXDHUFHOSA-N 362.838 4.438 0 40 FIAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccs1 4036350 VCTKYBRBZRZBGQ-UHFFFAOYSA-N 373.484 4.221 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nc(C)nc2ccccc12)c1ccccc1 4240421 QYEMORGLIKVIQP-CQSZACIVSA-N 351.475 4.472 0 40 FIAB C[C@@H](c1ccccc1)N(C)C(=O)C(F)(F)C(=O)N(C)[C@@H](C)c1ccccc1 4653604 WCCNEKJAUICGHQ-HOTGVXAUSA-N 374.431 4.061 0 40 FIAB CCOc1ccccc1NC(=O)Nc1nc(SC(C)(C)C)ns1 4898376 WVMKZXQHLQMAFT-UHFFFAOYSA-N 352.485 4.471 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 4985128 VEWQEEKLBVODKI-AWEZNQCLSA-N 367.474 4.007 0 40 FIAB CCOC(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 5393402 BGVLWBSWEZWZDK-INIZCTEOSA-N 366.339 4.072 0 40 FIAB C(=C/c1n(-c2ccccn2)c2ccccc2[n+]1-c1ccccn1)\c1ccco1 5524730 ZKJLBGKNYMTNQS-BUHFOSPRSA-N 365.416 4.461 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)n1C 5861033 OUGZWDRHSQOBQS-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB COCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 6602885 XJPCWBBTPOLTQA-UHFFFAOYSA-N 362.458 4.479 0 40 FIAB Cc1ccccc1CNC(=O)CSCc1ccccc1Br 6816237 CWGKZUMWGLSAFQ-UHFFFAOYSA-N 364.308 4.307 0 40 FIAB COc1ccc(Cl)cc1CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 7118943 LLBWKTQRNNKBKK-UHFFFAOYSA-N 355.825 4.011 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 7928214 BSYSBTWOJCQOQG-IBGZPJMESA-N 364.489 4.420 0 40 FIAB O=C(/C=C/c1nc2ccccc2s1)OCc1cn2cc(Cl)ccc2n1 7983461 ICKPKIRSEHUQGK-BQYQJAHWSA-N 369.833 4.354 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)c1C 8030689 FRMGZBVJBJIAQF-ZDUSSCGKSA-N 370.518 4.200 0 40 FIAB COCCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nc2ccccc21 8128848 JQQMOMIXAOXARJ-AWEZNQCLSA-N 370.474 4.055 0 40 FIAB O=C(CSc1nc2ccccc2n1-c1ccccc1)NC1CCCC1 8311104 BTXHSVMNJHQPAY-UHFFFAOYSA-N 351.475 4.176 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)Oc1ccccc1Cl 8587390 VZWYJFIODZVXJH-UHFFFAOYSA-N 352.824 4.149 0 40 FIAB CSCc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 8725619 BPDHQYKPRXOTCF-SFHVURJKSA-N 351.475 4.403 0 40 FIAB COc1ccc(Cc2nnc3c4c5c(sc4ncn23)CC[C@H](C)C5)cc1 9135000 HUSSFQDMYBFSTP-LBPRGKRZSA-N 364.474 4.063 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1ccc2ccccc2c1)c1cccc(F)c1 9367317 XZNAOEUXXSONIB-HXUWFJFHSA-N 359.404 4.232 0 40 FIAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1c1nc2ccccc2s1 9516654 CFNHSJZNIWPION-INIZCTEOSA-N 363.442 4.344 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)Cc3ccc(C)c(C)c3)sc2c1 10702766 NRNIVPOZIWZQOT-UHFFFAOYSA-N 368.458 4.271 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1ccc(OCC(F)(F)F)cc1 10979212 JHNDLIDWNXFOGO-UHFFFAOYSA-N 351.324 4.229 0 40 FIAB C[C@H](SCC(=O)NC1C2CC3CC(C2)CC1C3)c1nc2ccccc2[nH]1 12547679 WGZPRSSYSRVSFK-MOFKGGKKSA-N 369.534 4.298 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 12788168 OLBBKSZMPRHDNN-UHFFFAOYSA-N 364.445 4.412 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCCC2=O)cc1 12808672 OORHVWSOIQWWIY-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccc2c(c1)OCO2 13693824 HPNHNOSFYBZBIO-UHFFFAOYSA-N 356.378 4.239 0 40 FIAB COc1ccc(-n2ncc3c2C[C@@H](c2cc(F)cc(F)c2)CC3=O)cc1 14164169 CNLIBPHLJYLUAT-CYBMUJFWSA-N 354.356 4.072 0 40 FIAB Cc1ccc2[nH]c(C(=O)NCCCn3cccn3)c(-c3ccccc3)c2c1 19716828 MELNGOMINDGQPO-UHFFFAOYSA-N 358.445 4.160 0 40 FIAB COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1ccc(CO)o1 20138249 GXHAVEPFIRUYQO-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB Cc1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)cc1C 21148729 NZLHDQQLDRFMLW-NRFANRHFSA-N 372.553 4.329 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C)o1 21545363 FARVNRBLRFHWEI-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1cccc(Cl)c1 21598590 JELVNCFTFQEZAW-LLVKDONJSA-N 361.854 4.262 0 40 FIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCc1ccc(F)cc1 22245619 MRAWPEVRVJYOAP-UHFFFAOYSA-N 355.438 4.289 0 40 FIAB O=C(CSCc1ccccc1Cl)NCc1ccccc1-n1ccnc1 22519498 LUUXCWYSXNPSQA-UHFFFAOYSA-N 371.893 4.075 0 40 FIAB Cc1cccc(C)c1NC(=O)CCCSCC(=O)Nc1ccccc1 23742136 UOWXGSMFQDLIFX-UHFFFAOYSA-N 356.491 4.394 0 40 FIAB CC(C)(C)c1ccc(OCCNC(=O)CCc2nc3ccccc3o2)cc1 23746984 UYMIJBZDWTYYLC-UHFFFAOYSA-N 366.461 4.253 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](C(F)(F)F)C1 24183245 ZMAWOLPOPGNLBS-GFCCVEGCSA-N 371.790 4.249 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc2[nH]1 24865972 WUAXQRNFCHMTMO-UHFFFAOYSA-N 365.433 4.160 0 40 FIAB COc1ccc(C(=O)CSc2nccn2-c2cccc(C)c2)cc1F 26046614 DUWWLOBYDNAHEJ-UHFFFAOYSA-N 356.422 4.303 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@H](C)[C@H]1Sc2ccccc2NC1=O 27233094 CRFCTKRDHJPMKZ-BDJLRTHQSA-N 360.866 4.336 0 40 FIAB CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc21 28404354 BGLAGHODSRBGIC-UHFFFAOYSA-N 364.401 4.047 0 40 FIAB CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccccc1)c1cccc(OC)c1 29328242 YITHKZWXNMYMBI-LAUBAEHRSA-N 369.509 4.139 0 40 FIAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)[C@H]1Cc2ccccc2O1 29765596 BROROYYBJGPXPN-GOSISDBHSA-N 362.410 4.499 0 40 FIAB Cc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c2c(C)noc2n1 32342179 UNDCJNFSBCDKRZ-GFCCVEGCSA-N 366.446 4.283 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1C 32837287 OCXJOOKEWAWVFI-CQSZACIVSA-N 362.882 4.454 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@H](O)c2cccc(Cl)c2)cc1Cl 32915240 KRTQKAJTABUEJH-AWEZNQCLSA-N 374.651 4.119 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H]2CCCc3ccccc32)cc1 36446976 ZRQMLELWWLWDKN-VXKWHMMOSA-N 364.489 4.026 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1cccs1 40119433 OUVBVYIXASDGHD-IBGZPJMESA-N 369.490 4.188 0 40 FIAB CC(C)c1ccc(/C=C/c2ccnc3nc(N4CCCC4)[nH]c(=O)c23)cc1 40388546 PAEABLABZOXYFV-JXMROGBWSA-N 360.461 4.212 0 40 FIAB O=C(NCCSC1CCCC1)Nc1cccc(OC[C@@H]2CCCO2)c1 44329458 OPGKOXSSRVDTSR-KRWDZBQOSA-N 364.511 4.042 0 40 FIAB CCOc1ccc(OCC)c(N/C=C/C(=O)c2ccc3c(c2)OCO3)c1 44842445 RFQSOJDTDWLJQH-MDZDMXLPSA-N 355.390 4.021 0 40 FIAB CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(N2CCCCCC2)cc1 55637193 PQKBVMVTLISGOI-FQEVSTJZSA-N 371.525 4.043 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1Cl 57992584 LVSZJVXFWVCKPR-CYBMUJFWSA-N 373.305 4.096 0 40 FIAB CC(C)(C)c1ccc(C[S@@](=O)CCC(=O)Nc2ccc(F)cc2)cc1 58143248 RDTGPOMBELTMOL-RUZDIDTESA-N 361.482 4.401 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)c3ccncc3)n2)c1 72357820 DFIVLUVSWFVWGZ-QFIPXVFZSA-N 373.456 4.053 0 40 FIAB O=C(NCc1ccccc1)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCNC1 72391923 KTZHGSQCBAQQII-RUZDIDTESA-N 370.496 4.192 0 40 FIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc2[nH]ccc2c1 79493904 NIDYJSAIFFTFGK-UHFFFAOYSA-N 366.808 4.443 0 40 FIAB c1ccc(Nc2nc(CN3CCC(OC[C@@H]4CCCO4)CC3)cs2)cc1 83407996 RDCPDXLRGAXXOP-IBGZPJMESA-N 373.522 4.047 0 40 FIAB Cn1c(C(=O)NCCOc2ccc3c(c2)CCC3)c(Cl)c2ccccc21 84311299 IAFRXUQPPGNRCX-UHFFFAOYSA-N 368.864 4.129 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCCCc3ccccc32)c1)c1cccnc1 95350704 NHCZQHKAIQLHJG-UHFFFAOYSA-N 371.440 4.317 0 40 FIAB O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100599182 AUBASQUVLJYPAO-UEVCKROQSA-N 374.528 4.151 0 40 FIAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1 101277037 YSEGSYNUZBINTP-CQSZACIVSA-N 363.244 4.354 0 40 FIAB CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1cccs1 103591741 NSOOBZMRKCKZTN-INIZCTEOSA-N 351.427 4.454 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)CCC(=O)O 105365153 YJPIDPAGJSWWBE-JWPKLBNJSA-N 372.461 4.025 0 40 FIAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(OC)c1 214463652 CONGZJGBVBPGLB-VCHYOVAHSA-N 369.442 4.249 0 40 FIAB COc1ccc(Cl)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584802 RWESUUNERWELMM-MZPVMMEZSA-N 359.882 4.333 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1C 223428264 OEDCJRATANVMNE-HNNXBMFYSA-N 354.450 4.174 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(Cl)cc1 224287030 CXGKXFNMOVWHSO-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB CCOc1ccc(CCC(=O)NC[C@H](C)c2ccccc2)cc1OCC 224394354 SEVMKQWAMJMZSC-KRWDZBQOSA-N 355.478 4.337 0 40 FIAB Cc1ccnc(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225369968 HZVFJAURCZEEBR-UHFFFAOYSA-N 369.918 4.402 0 40 FIAB COc1ccc(CCCNC(=S)Nc2ccc(OC(C)C)cc2)cc1 225557483 CVPIMTUDWDNVLX-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCCCCC1 225711429 AJJZWGFBSWPZGT-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(N)cc3Br)o2)C1 226304578 KQDCPYPJSGXFCU-LLVKDONJSA-N 363.255 4.163 0 40 FIAB COc1cc(NC(=O)c2ccc(C)cc2)ccc1-c1ccc(C(=O)O)o1 226356478 RYZKXNKKKDLNJS-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB Cc1c(F)cccc1Nc1ncncc1-c1nc(-c2cccs2)no1 252494330 NSGGKZYYIXJZCO-UHFFFAOYSA-N 353.382 4.446 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2ccnc(-c3ccccc3C(=O)O)c2)CC1 257258404 KTSLDXOHJQRZLI-UHFFFAOYSA-N 366.461 4.199 0 40 FIAB COc1cnccc1[C@@H](C)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C 661053022 ZSEOHCGPQIWMHF-SJLPKXTDSA-N 353.466 4.315 0 40 FIAB CCn1cc(CNC(=O)c2ccc(Sc3ccccc3C)cc2)cn1 676528586 RKANKJYXRDCUBC-UHFFFAOYSA-N 351.475 4.293 0 40 FIAB O=C(N[C@H](c1cccs1)C1CCOCC1)NC12CC3CC(CC(C3)C1)C2 1565522826 ABRNBFVDNFOONS-IXYLRAAXSA-N 374.550 4.484 0 40 FIAB Brc1cncnc1NCC(c1ccccc1)c1ccccc1 1641964971 JEQMBLOJARGQEJ-UHFFFAOYSA-N 354.251 4.483 0 40 FIAB Cc1cc(C)cc(NS(=O)(=O)c2cc(Br)c(C)cc2C)c1 1776002974 OUNQVRWBDIOXOS-UHFFFAOYSA-N 368.296 4.484 0 40 FIAB Cc1ccccc1NC(=S)N1CCC(c2nc3ccccc3[nH]2)CC1 1327167 ZHPJETLYANRFRV-UHFFFAOYSA-N 350.491 4.448 0 40 FIAB CCCn1cc([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 2099333 PHQZUVNFMDQJAU-INIZCTEOSA-N 362.429 4.107 0 40 FIAB biogenic COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1C 2616779 HSIRJMNBCQGYRD-UHFFFAOYSA-N 368.487 4.393 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCCSc2nc3ccccc3[nH]2)cc1 2619198 JLDMJYDPIGKQKI-UHFFFAOYSA-N 368.462 4.032 0 40 FIAB CCc1ccc(NC(=O)c2nnn(-c3ccc(OC)c(Cl)c3)c2C)cc1 2699054 ZZWHBRUURLSWSW-UHFFFAOYSA-N 370.840 4.052 0 40 FIAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc1 2705475 FMKBMKIRSZSCAV-IBGZPJMESA-N 372.380 4.148 0 40 FIAB CSc1ccc(CN2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)cc1 2734683 CWOWIRJPMBWQPC-FQEVSTJZSA-N 368.546 4.279 0 40 FIAB CC[C@H](NS(=O)(=O)c1cnn(CC)c1C)c1ccc([C@H](C)CC)cc1 2804390 YMGVURIVHPCKJU-KDOFPFPSSA-N 363.527 4.155 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)C(C)C)cc3)sc2c1 3239553 FFOWZPNSZYJFKK-UHFFFAOYSA-N 368.458 4.409 0 40 FIAB CCCCN1C(=O)c2ccc(C(=O)Oc3cc(C)ccc3Cl)cc2C1=O 3327877 PKLXYKBWLHHRFW-UHFFFAOYSA-N 371.820 4.264 0 40 FIAB CCN(C(=O)CSc1ncnc2sc(C)c(C)c12)c1ccccc1 3495410 RSEUFSYQSNDMKJ-UHFFFAOYSA-N 357.504 4.453 0 40 FIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccc(Cl)cn1 3501178 TXWGPZKXJPTXKU-QMMMGPOBSA-N 367.261 4.384 0 40 FIAB CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccco1 4516377 OHYQHKIKWGNIHO-UHFFFAOYSA-N 370.478 4.286 0 40 FIAB Cc1ccccc1-c1nnc2c3cnn(-c4ccccc4Cl)c3ncn12 5322455 HWEHVYRZUIFFTH-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(NC2CCCCC2)s1 6078658 VKZZOQHMFGDVOY-UHFFFAOYSA-N 363.508 4.266 0 40 FIAB CCn1c(SCc2ccc(C(=O)O)o2)nnc1-c1ccc(Cl)cc1 6721328 MGNQBTSZAALUOC-UHFFFAOYSA-N 363.826 4.202 0 40 FIAB Fc1cccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3nnnn32)c1 6759111 IJTRGPMZGAZHBC-GJZGRUSLSA-N 364.211 4.265 0 40 FIAB CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2nccnc2c1=O 6818617 IJIPFWLAZSISPG-UHFFFAOYSA-N 374.897 4.178 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)COc1ccc2ccccc2c1 6886560 VDXIJJNJXQRNPN-UHFFFAOYSA-N 363.413 4.017 0 40 FIAB COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1 6905904 RVVLIHHQOKYKKE-UHFFFAOYSA-N 363.369 4.188 0 40 FIAB O=C(COc1ccccc1F)N[C@@H](c1ccc(F)cc1)c1cccs1 7889213 FJWGPEXUQMMUPZ-IBGZPJMESA-N 359.397 4.311 0 40 FIAB COc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC 8279246 RJTDEMFAKZAIFQ-GFCCVEGCSA-N 356.447 4.147 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1C 8480839 WUFGLHJGICHFNZ-KRWDZBQOSA-N 368.477 4.191 0 40 FIAB O=C(CSc1ccc(F)c(F)c1)Nc1nc(-c2ccccn2)cs1 8711031 CUYDAVKCWAYOLS-UHFFFAOYSA-N 363.414 4.214 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(F)c(F)c2)[nH]c1-c1ccccc1 8813219 YMLPCGULPCOPFK-UHFFFAOYSA-N 359.401 4.394 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(SC(F)F)cc1 8855875 WOBJYEKBYOBTPO-UHFFFAOYSA-N 360.385 4.067 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 9949968 DWCMAZRCSVSAEU-LLVKDONJSA-N 374.491 4.051 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1F 10282368 KLZLWVSWASILPD-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(C)c1 10628517 PQHVDTYOPSGTAP-GOSISDBHSA-N 369.490 4.014 0 40 FIAB CC(=O)c1ccc(NCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 10827253 YHXVXPLMMDMHTQ-NRFANRHFSA-N 364.470 4.268 0 40 FIAB CC(C)Oc1cccc(CN2CCC(c3n[nH]c4ncccc34)CC2)c1 12220301 MNQZWVZRFAWINM-UHFFFAOYSA-N 350.466 4.125 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 12547301 XCVRYGHKOIWAOK-SFHVURJKSA-N 369.465 4.019 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl 12805006 CZYYVSRQGVZCOK-UHFFFAOYSA-N 365.260 4.314 0 40 FIAB CCOc1ccc(CN(C)Cc2coc(-c3ccc(OC)cc3)n2)cc1 12916020 MYZFBCZQBWBRMQ-UHFFFAOYSA-N 352.434 4.381 0 40 FIAB Cc1c(-c2ccccc2)sc2ncn(C[C@H](O)c3ccccc3)c(=O)c12 14189564 RGMRGONKNRNXAP-KRWDZBQOSA-N 362.454 4.167 0 40 FIAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cc(Cl)c(O)c(Cl)c1 19287478 WXFQZDQSMMTOJS-MEDUHNTESA-N 350.249 4.059 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(C)cc(C)c1 20138824 KPRRWTRPMNPNCT-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1cccc(OC)c1 20454954 LLSZXHZTWODBBJ-OAQYLSRUSA-N 355.478 4.218 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20456185 KLSPEBMQUZDKHE-INIZCTEOSA-N 365.502 4.286 0 40 FIAB Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c(C)c1 21600945 CBMKNEVXMZYCKR-GOSISDBHSA-N 353.853 4.210 0 40 FIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CSc1ncnc2ccsc12 22069215 PDNPGLHAZLBNEA-LLVKDONJSA-N 361.467 4.142 0 40 FIAB CCn1cc(C(=O)Nc2cc(F)ccc2C)c(=O)c2cc(Cl)ccc21 22235068 LZRQHPVNQZWVAW-UHFFFAOYSA-N 358.800 4.375 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 23080592 QQAOTZXQYWXEGO-UHFFFAOYSA-N 370.840 4.027 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)NCCSCc1ccccc1 25690240 OXPXBCMDRJJTIA-VQHVLOKHSA-N 366.280 4.105 0 40 FIAB COc1ccc(CN(C(=O)c2cc3c(s2)CCCC3)C2CC2)c(OC)c1 25761995 PLNMIQOOEBYEOP-UHFFFAOYSA-N 371.502 4.449 0 40 FIAB C[C@H](N[C@H](C)C(=O)Nc1cccc2ncccc12)c1ccc(F)cc1F 26983647 VYZIFOCSZBHJBG-QWHCGFSZSA-N 355.388 4.191 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(C)c(C)c2)c1 27583084 CPBOLEPGTHSJQP-INIZCTEOSA-N 365.433 4.376 0 40 FIAB Cc1ccc2c(=O)cc(C(=O)Nc3cc(-c4ccc(F)cc4)no3)oc2c1 27913086 JFUYACLWCFWTEO-UHFFFAOYSA-N 364.332 4.148 0 40 FIAB Cc1nc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)sc1C 32722139 SIUQEDZXOCARQX-UHFFFAOYSA-N 357.460 4.326 0 40 FIAB CCc1ccc([C@@H](CNC(=O)c2oc3c(F)cccc3c2C)N(C)C)cc1 32733745 ZLXMQLZRLTUAKM-LJQANCHMSA-N 368.452 4.475 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1csc(-c2ccccc2)n1 32741184 OPRBMGJMSHCQAD-UHFFFAOYSA-N 366.442 4.201 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2ccc(-c3ccnc(C)n3)cc2)cc1 32818940 UCSTVWYENBXUBZ-UHFFFAOYSA-N 367.474 4.205 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)c3nc(-c4cccnc4)no3)cc2c1C 32876056 RMIFATNZUSTNEC-ZDUSSCGKSA-N 362.389 4.148 0 40 FIAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)cc2F)cc1OC 36394881 DXAHXNNQNFSZCE-NSHDSACASA-N 351.805 4.296 0 40 FIAB Cc1cc(N)nc(SCc2csc(Cc3ccc(Cl)cc3)n2)n1 40088672 CBZTVTGUOPTJHF-UHFFFAOYSA-N 362.911 4.360 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)[C@@H](Oc1ccccc1)c1ccccc1 40131102 VEEYVAIZGGJMKK-UNMCSNQZSA-N 359.425 4.447 0 40 FIAB O=C(CCn1cc(Cl)cn1)N[C@@H](c1ccc(F)cc1)c1cccs1 40156178 TYMPDWNLFQCYND-KRWDZBQOSA-N 363.845 4.033 0 40 FIAB CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(Cl)c1 48280108 SRIQFSKMHVWDHH-LJQANCHMSA-N 372.900 4.253 0 40 FIAB O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2ccccc2F)CC1 53019113 JKQSWCAXPRURMX-UHFFFAOYSA-N 362.832 4.035 0 40 FIAB COc1c(F)cc(N[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1F 56207583 YDAOQRCPNXRWEP-GOSISDBHSA-N 360.404 4.139 0 40 FIAB COc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2C)cc1Cl 64473009 CXXDGZWKIHDDOQ-UHFFFAOYSA-N 353.809 4.366 0 40 FIAB COc1ccccc1OCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 75119780 HETNJQJAKXJRNN-UHFFFAOYSA-N 366.436 4.484 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2cccs2)CC1 75157074 WZRKZIAWADQXLX-UHFFFAOYSA-N 359.875 4.109 0 40 FIAB Cc1cccc2c1C(=O)N[C@H](c1ccc(-n3ccc(C(F)(F)F)n3)cc1)N2 84229743 HRYWVVSMTNPWIY-QGZVFWFLSA-N 372.350 4.054 0 40 FIAB COc1ccc2oc(C)c(C(=O)N(C)[C@@H](C)Cc3ccc(O)cc3)c2c1 89534359 PHSZKJTYSYYOMR-ZDUSSCGKSA-N 353.418 4.159 0 40 FIAB Cc1ccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101100298 YTRPCSPSSGWVFF-HNNXBMFYSA-N 358.232 4.344 0 40 FIAB CC(=O)c1ccc(-c2ccc([C@H]3CC(O)=NC4=C3C(=O)OC4(C)C)o2)cc1 101620372 QGUCEYRAEGUMKQ-CQSZACIVSA-N 365.385 4.183 0 40 FIAB CCOc1ccccc1-c1noc(COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)n1 103470374 MOEOQFXWDDOIOL-SOUVJXGZSA-N 356.422 4.005 0 40 FIAB O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)[C@@H]1CCCOC1 104431391 SFPZPQVPEYPZCG-GFCCVEGCSA-N 366.339 4.258 0 40 FIAB O=C(N[C@@H]1CCc2c(O)cccc21)c1nc(-c2ccccc2)oc1C1CC1 111600426 PLVWWJXELRRLKC-QGZVFWFLSA-N 360.413 4.342 0 40 FIAB C[C@H](C(=O)N1CCC(c2c[nH]c3ccccc23)CC1)n1cnc2ccccc21 193098912 ZIZHBKDMHSSXRC-MRXNPFEDSA-N 372.472 4.485 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1C 219512989 YKDMQNYZDUUTJF-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccccc1C(C)C 223790719 IQZBKEYFZDSCGG-FQEVSTJZSA-N 371.477 4.171 0 40 FIAB CCOc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1 224590888 CBBFFSMSAIVOMB-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB COc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(OC)c1 225112195 UDPUQLWOGJRMNN-IBGZPJMESA-N 358.434 4.076 0 40 FIAB O=C(NC[C@@H]1COc2ccccc2O1)/C(=C/c1ccccc1)c1ccccc1 225238441 ZJUSPMWQCLEPQU-LNKKFFRNSA-N 371.436 4.183 0 40 FIAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225691144 OLTCOKBYDQFFSW-GOSISDBHSA-N 357.878 4.145 0 40 FIAB Cc1cc(C)c(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)c(C)c1 225725149 LPEIGADZOBXFIT-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225850112 UPPVCHIKFPQFBK-HNAYVOBHSA-N 357.450 4.047 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NN=Cc1c[nH]c2ccccc12 254519336 AHFGAIDFADSDCD-CYBMUJFWSA-N 355.825 4.047 0 40 FIAB Cc1cc2c(c(=O)n1Cc1ccccc1)C=C1COc3ccccc3[C@H]1O2 257258094 KSJUKQUJHOXNBL-QFIPXVFZSA-N 357.409 4.115 0 40 FIAB c1ccc([C@@H]2CN(c3ncnc4c3oc3ccccc34)[C@@H]3CCOC[C@H]23)cc1 329183777 FTDADYWXQZTLHC-IPMKNSEASA-N 371.440 4.385 0 40 FIAB COc1ccccc1/C=C1\S[C](Nc2cc(Cl)ccc2C)NC1=O 408802147 XBKOEUNXSLESHU-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB O=C(CCc1c(F)cccc1Cl)NCc1ccnc(-c2ccncc2)c1 575610257 VAQGCRMZXFQCBU-UHFFFAOYSA-N 369.827 4.185 0 40 FIAB Cc1ccc(-c2nnc3sc(Cc4noc5ccc(C)cc45)nn23)cc1 633089 XSZYQXPGQDMEDR-UHFFFAOYSA-N 361.430 4.202 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)c(Cl)c1)OCO2 682989 CPZLNRQWGWGNNW-UHFFFAOYSA-N 352.173 4.177 0 40 FIAB CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2F)NC(=O)N1 706385 BNBYZPCRLYZZRH-SFHVURJKSA-N 360.429 4.110 0 40 FIAB Cc1cc(N2CCOCC2)nc(SCc2c(Cl)cccc2Cl)n1 877977 WYCRDHRMIQNYRB-UHFFFAOYSA-N 370.305 4.221 0 40 FIAB Cc1sc2ncnc(NC3CCN(Cc4ccccc4)CC3)c2c1C 1465468 CGRZMNFYFYJXES-UHFFFAOYSA-N 352.507 4.385 0 40 FIAB COc1cc(OC)c2cc(C(=O)c3cccc4ccccc34)c(=O)oc2c1 1590843 ZMPZRDHZQFCUSJ-UHFFFAOYSA-N 360.365 4.194 0 40 FIAB in-vitro O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1c1ccccn1 2245764 DPNHAPCYZIJJDO-LJQANCHMSA-N 372.355 4.077 0 40 FIAB COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(Cl)ccc3O)noc1-2 2466038 WOBJXDHKYDGGBN-UHFFFAOYSA-N 370.792 4.060 0 40 FIAB O=C(NCCCCCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 3066238 NLXINXIPYKUPDQ-UHFFFAOYSA-N 374.431 4.075 0 40 FIAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccccc3)sc2n1 3173209 ANCPINMFJJSHJG-UHFFFAOYSA-N 351.353 4.458 0 40 FIAB COc1cccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)c1 3271894 BANCTTXQXIIZMA-UHFFFAOYSA-N 373.493 4.346 0 40 FIAB Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3cnccn3)sc2c1 3300488 GURBFIHFUKZHQY-UHFFFAOYSA-N 360.442 4.242 0 40 FIAB Cc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1ccccc1 3900795 POKFPFIPCVUFGM-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(OC(C)C)cc3)o2)c(C)c1 4479470 MZSFJOCEZDHTOE-UHFFFAOYSA-N 351.406 4.393 0 40 FIAB CCOc1cc([C@@H]2NC(=O)c3ccccc3O2)cc(Cl)c1OC(C)C 4997923 HDIFHIQVCJRNNQ-LJQANCHMSA-N 361.825 4.347 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1 5099242 ZUYFHGNGAPJUGD-UHFFFAOYSA-N 366.461 4.417 0 40 FIAB Cc1ccc2c(COC(=O)c3ccc(C(F)(F)F)cc3)cc(=O)oc2c1 5111548 LGPQJMQPHKJHRQ-UHFFFAOYSA-N 362.303 4.477 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(-c2nnco2)cc1 5209274 UGOXAXWBLSEULX-AWEZNQCLSA-N 351.406 4.268 0 40 FIAB Cc1ccc(OCCC(=O)Nc2ccc(Br)cc2F)cc1 6083247 RCUABVXYRHZMBX-UHFFFAOYSA-N 352.203 4.304 0 40 FIAB Cc1ccc(-n2cnnc2SCc2cn3cccc(C)c3n2)cc1Cl 6103646 FWZMHSVSKWIYMX-UHFFFAOYSA-N 369.881 4.478 0 40 FIAB COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cn1 6252602 UGEZXXIZMGTRLC-UHFFFAOYSA-N 355.221 4.195 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 6270410 NQYFDRMAUKAMAH-UHFFFAOYSA-N 367.430 4.131 0 40 FIAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 6340438 CVZUSKPUXBMCNX-FQEVSTJZSA-N 362.404 4.326 0 40 FIAB COc1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3C)sc2c1 6426021 FPLDJJJQOYRWPH-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB Cc1ccc(CNC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 6832893 JZWBITRLAIGBRT-JOCHJYFZSA-N 372.468 4.173 0 40 FIAB CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)s1 7269441 XEKZVLDPFRLDSN-UHFFFAOYSA-N 363.508 4.027 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(NC2CC2)s1 7577628 NHRNQBMLPVRYBF-JTQLQIEISA-N 358.492 4.266 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1C 7609756 JBLVVWLJWRZDDH-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB CCc1ccc2c(COc3c(F)c(F)cc(F)c3F)cc(=O)oc2c1 7985697 NFRXXBMEFHRPDL-UHFFFAOYSA-N 352.283 4.491 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccn1 7990626 RQPHQZOXPGDBQY-QGZVFWFLSA-N 368.440 4.425 0 40 FIAB C[C@@H](CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1 8327789 QGVASMJNBIMJNV-KRWDZBQOSA-N 350.462 4.445 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)cc4)c3)C(=O)[C@@H]2C1 8472560 LJCJXRWCARHQQE-WOJBJXKFSA-N 374.440 4.093 0 40 FIAB O=S(=O)(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccccc1 8586624 ZWHUMJFRTIKZAY-UHFFFAOYSA-N 368.389 4.435 0 40 FIAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccccc3O)s2)cc1 9313468 BHJBAZPKAMGNME-UHFFFAOYSA-N 354.431 4.297 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1 10156545 DOFIHUMRPZSTGG-MRXNPFEDSA-N 359.429 4.450 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 10285110 IOCVLPBLAUYBPJ-MGPUTAFESA-N 354.450 4.215 0 40 FIAB COC[C@H](C)n1c(SCc2ccccc2C)nc2ccccc2c1=O 10420685 HWJHEGKPXXHKAT-HNNXBMFYSA-N 354.475 4.205 0 40 FIAB Cc1ccc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc1C 10893767 LJFQWHMPSBMUBA-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB Cc1nc2ccc(N[C@@H](C(=O)N3CCCC3)c3ccccc3)cc2s1 12524944 NTCDLFVMMBTBAZ-LJQANCHMSA-N 351.475 4.380 0 40 FIAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)NC(c2ccccc2)c2ccccc2)C1 12598841 MAJFOSPBNFAXQM-CEXWTWQISA-N 350.506 4.259 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(C(N)=O)c1 12672891 QJNMYZURXPRGLB-UHFFFAOYSA-N 371.849 4.123 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 12788842 NAXOJXNHECXMLU-UHFFFAOYSA-N 365.433 4.080 0 40 FIAB Clc1ccc(-c2nc(CSc3nnnn3-c3ccccc3)co2)cc1 12868871 RYJLLSPLYBIFIY-UHFFFAOYSA-N 369.837 4.263 0 40 FIAB Cc1cc(Cl)cc(C)c1OCC(=O)Nc1ccccc1N1CCCC1=O 12872235 UKGYWQMTXSMYGW-UHFFFAOYSA-N 372.852 4.101 0 40 FIAB CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O 12975004 VMVIZBGZTKYSFR-NVXWUHKLSA-N 368.477 4.113 0 40 FIAB COc1ccc(C[C@@H](NC(=O)c2ccoc2)c2ccc(OC)cc2)cc1 12975617 UQUGJVDUOCWAPN-HXUWFJFHSA-N 351.402 4.011 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)Cc1csc(-c2ccccn2)n1 14635027 BLRCFUCRQKZNHU-UHFFFAOYSA-N 357.866 4.060 0 40 FIAB O=C(c1ccccc1)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 15996643 OLECALLWPJYOSZ-KCZVDYSFSA-N 353.437 4.334 0 40 FIAB CCOc1ncccc1C(=O)OCCOc1cc(Cl)ccc1Cl 16694873 RRIZEFGHTRRJGO-UHFFFAOYSA-N 356.205 4.023 0 40 FIAB CCc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)sc2=S)cc1 16742370 RCWRZPZHUDLQJM-UHFFFAOYSA-N 369.515 4.343 0 40 FIAB COc1cc(CNC(=O)c2cccs2)ccc1OCc1ccccc1 18160968 HEECLTFNHNCBCI-UHFFFAOYSA-N 353.443 4.266 0 40 FIAB Brc1ccc(CNCCCn2cnc3ccccc32)s1 19986143 PWNAPLCSZZLBSB-UHFFFAOYSA-N 350.285 4.040 0 40 FIAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCC(Cc2ccccc2)CC1 20715955 DLRUKLGFDXLNGI-NRFANRHFSA-N 366.436 4.387 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2occc2C)c1 21668595 MYFICOMTBMZSNB-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB CC(C)(C)CC(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22907695 KZJPSIHMQTVJHS-GOSISDBHSA-N 356.535 4.400 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1ccc2c(c1)OCO2 24613609 TXDJVZAOZMQQJO-UHFFFAOYSA-N 366.244 4.313 0 40 FIAB O[C@](c1ccc2c(c1)CCCN2)(c1nc2ccccc2s1)C(F)(F)F 24927065 SRVKAJTVJNVCBS-QGZVFWFLSA-N 364.392 4.453 0 40 FIAB COc1cc(NC(=O)CCC2CCCC2)ccc1NC(=O)c1cccnc1 26243768 DDFPQFZETQAAKC-UHFFFAOYSA-N 367.449 4.251 0 40 FIAB CNC(=O)c1ccc(OC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 27036001 WEZYMKLUJOYEMD-UHFFFAOYSA-N 372.380 4.074 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1 27756114 ONYRNMOHSCZOJR-UHFFFAOYSA-N 357.793 4.406 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1 28220185 SPAOLJNYWPKPTI-UHFFFAOYSA-N 354.797 4.372 0 40 FIAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccccc3C)c2s1 32616351 KEQDYHDPKYLWJJ-UHFFFAOYSA-N 353.472 4.247 0 40 FIAB C[C@@H](SC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2 32776480 BHPAAJUMWXHYPW-CSNVJCEJSA-N 371.502 4.291 0 40 FIAB Cc1cccc(OCCN(C)C(=O)c2cc3ccc(F)cc3nc2C)c1 32856185 PYNATTJBFHPKCH-UHFFFAOYSA-N 352.409 4.142 0 40 FIAB CCc1nc(C)c2c(C)c(C(=O)Oc3ccc(NC(C)=O)cc3)sc2n1 32903364 RWIYCYRDQDVYPI-UHFFFAOYSA-N 369.446 4.048 0 40 FIAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)ccc1O 36366837 QSYYXTRLNFTPMG-LBPRGKRZSA-N 369.808 4.364 0 40 FIAB Cc1noc(C)c1CSCC(=O)Nc1cccnc1Oc1ccccc1 40087998 GTYZIRGZFYHJHB-UHFFFAOYSA-N 369.446 4.351 0 40 FIAB Clc1cccc(Cl)c1OCCSc1nnc2n1CCCCC2 40159045 HDPHXRYGHZRROA-UHFFFAOYSA-N 358.294 4.482 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2-n2cccn2)cc1 48150008 DYYQEPMONJKUTC-LJQANCHMSA-N 362.433 4.250 0 40 FIAB O=C(CSc1nncs1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 53452363 CXEHLCRRHJDTFC-LBPRGKRZSA-N 374.318 4.301 0 40 FIAB CN(C(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CCC1 72296994 GAPUKOBRAVOHOU-IBGZPJMESA-N 370.880 4.212 0 40 FIAB O=C1[C@H]2CSCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 85389580 NIZRVLQDVKDPLB-HZPDHXFCSA-N 365.285 4.414 0 40 FIAB COc1cccc(N2CC[C@H](CNCc3ccccc3OC(C)C)C2)c1 89890942 CJLYVYQTDHOUIX-GOSISDBHSA-N 354.494 4.099 0 40 FIAB FC(F)(F)Oc1cc(Cl)c(I)c(Cl)c1 90413617 VXYKBILXCGGNTA-UHFFFAOYSA-N 356.896 4.497 0 40 FIAB OC1=Nc2ncn(-c3cccc(F)c3)c2[C@H](c2cccc(O)c2)SC1 95473028 UMEOADXFZRRMFZ-KRWDZBQOSA-N 355.394 4.141 0 40 FIAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102591958 WIOVCLNVOPMEEA-HRAATJIYSA-N 372.428 4.352 0 40 FIAB Cc1ccc2[nH]c(C(=O)NC3(c4ccc(F)cc4)CCOCC3)c(C)c2c1 178132234 KNICBQPXEHRZQF-UHFFFAOYSA-N 366.436 4.360 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@@H](O)c2ccc(Cl)cc2)cc1OC 195528585 BLOAWBJDLRBEDT-QZTJIDSGSA-N 361.869 4.228 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2)ccc1Cl 222864513 QIELYRMGALFAFQ-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB CCOC(=O)c1cc(NC(=O)Cc2cccc(Cl)c2)ccc1Cl 225280189 UAPCDOMUGBVDNX-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225533754 CJMJIYXRCDIPHW-APWZRJJASA-N 371.477 4.355 0 40 FIAB CC[C@@H](C)n1ncc(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1C 331075975 HTEZBQMWLJTHPK-MRXNPFEDSA-N 354.498 4.188 0 40 FIAB CCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)CC1 408708405 PVYKZNZEJVQXKI-HWOWSKLDSA-N 362.901 4.086 0 40 FIAB CCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)c2ccccc21 409114462 HMXAHAIXJUOKQQ-QPEQYQDCSA-N 372.218 4.085 0 40 FIAB CC(C)[C@@H](O)[C@@H](NC(=O)c1cccc(C(F)F)c1F)c1ccccc1 585123964 TZVIBMGNPPBLKC-DLBZAZTESA-N 351.368 4.251 0 40 FIAB COc1ccc(CNC(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1 1775966783 YSPMBOPLHBHFMT-MRXNPFEDSA-N 350.528 4.291 0 40 FIAB Cc1nc(C)c(C(=O)N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)s1 1889217658 OYBVVHOHHKTLIL-UHFFFAOYSA-N 368.506 4.104 0 40 FIAB Cc1cc(OC[C@@]2(O)CCCN(Cc3ccccn3)CC2)cc(C)c1Cl 2037912024 CLQSWMPVLWDJMV-OAQYLSRUSA-N 374.912 4.148 0 40 FIAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1I 675410 QWTFXWUAEKAFEH-GFCCVEGCSA-N 365.214 4.091 0 40 FIAB CCOc1cc(/C=C2/N=C(C)OC2=O)ccc1OCc1cccc(C)c1 842761 NEINYEMFALMRGF-WOJGMQOQSA-N 351.402 4.289 0 40 FIAB CCOC(=O)c1cnc2ccccc2c1Nc1ccc(OC)c(OC)c1 953620 PDLGXTIMXRQACG-UHFFFAOYSA-N 352.390 4.172 0 40 FIAB Cc1ccc(NC(=O)C2(N3C(=O)C[C@@H]3c3ccco3)CCCCC2)cc1 974337 SLJDZUYXOZQVLU-QGZVFWFLSA-N 352.434 4.203 0 40 FIAB CCc1nc(SCC(=O)c2ccc(NC(C)=O)cc2)c2ccccc2n1 1332576 WUKHATUMDRWEEY-UHFFFAOYSA-N 365.458 4.126 0 40 FIAB COC(=O)[C@@H]1[C@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 2077669 UNFRAJUOZJRASQ-GAIPOIILSA-N 357.409 4.092 0 40 FIAB C[n+]1cccc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2Cl)c1 2208451 QARZSYZJDVOGIV-KRWDZBQOSA-N 350.269 4.185 0 40 FIAB CCOC(=O)c1cccc(C(=O)c2ccccc2CN2CCCCC2)c1 2515498 UCVRENWWRLDYJT-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB CCOc1ccccc1N1CCN(c2ncnc3sc(C)c(C)c23)CC1 2627198 OAIJVIAINHJGII-UHFFFAOYSA-N 368.506 4.033 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)OCc2ccccc2F)cc1 2628890 SEOSUULAHBCQKW-UHFFFAOYSA-N 355.365 4.367 0 40 FIAB Sc1nnc([C@@H]2C[C@@H]2c2ccccc2)n1-c1cnn(Cc2ccccc2)c1 2809240 GKABADWWWJNTCF-RTBURBONSA-N 373.485 4.072 0 40 FIAB COc1ccc(OC)c(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c1 3240218 UXPGHMIOPCYTQI-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB O=C(COC(=O)Cc1cccc2ccccc12)N[C@@H]1CCCc2ccccc21 3508119 HYBPIMOLRGQFIQ-JOCHJYFZSA-N 373.452 4.119 0 40 FIAB CCOc1ccc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)[C@@H](C)CC)cc1 3895937 UDVMZKYLMJMMRB-CQKVTUKBSA-N 374.525 4.381 0 40 FIAB O=C(CSc1ccc(-c2ccccc2)nn1)Nc1ccc(F)cc1F 4355439 QTEOJQWZMTWZGP-UHFFFAOYSA-N 357.385 4.153 0 40 FIAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 4912236 CWKXPNFFKIAZBH-HNNXBMFYSA-N 355.434 4.201 0 40 FIAB COc1ccc2oc(=O)c(C(=O)Nc3cccc(Cl)c3Cl)cc2c1 4949729 ATNLEKCDCVODBH-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB CCc1c(C)nc2cc(-c3cccs3)nn2c1NCCN(CC)CC 4980828 NRONCQDFHBSDMM-UHFFFAOYSA-N 357.527 4.082 0 40 FIAB CCOc1ccc(NC(=O)CC[C@@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 5002237 LNTKWHMUQFZRFY-IIBYNOLFSA-N 353.418 4.108 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 5018415 MQSDMSDCMBGCSN-UHFFFAOYSA-N 368.414 4.003 0 40 FIAB Cc1cc(C(F)(F)F)nn1Cc1n[nH]c(=S)n1-c1ccc(Cl)cc1 5425692 JIYSYXAZIOQAGY-UHFFFAOYSA-N 373.791 4.155 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccco2)n1C 5864205 NWSUEFRSHPRHKV-LBPRGKRZSA-N 366.446 4.228 0 40 FIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccccc1C(F)(F)F 6528666 AGUPQYBYZJLBIE-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(C)cc1 6753235 JFEXDHXYBXOVMJ-OAQYLSRUSA-N 361.445 4.354 0 40 FIAB Cc1nc2ccc(NC(=O)COCc3nc4ccccc4s3)cc2s1 6789400 YNTFNJMYMJPIAC-UHFFFAOYSA-N 369.471 4.370 0 40 FIAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccnc1 8071545 ZOJWLWCISAJEJD-UHFFFAOYSA-N 357.207 4.034 0 40 FIAB COC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2n1Cc1ccccc1 8134762 JQVHQQBUXJVUIL-LBPRGKRZSA-N 360.866 4.392 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 8231148 ZYBLXIJSXGEWAR-LLVKDONJSA-N 359.476 4.295 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CC=C(c2c[nH]c3ccccc23)CC1 8761926 QRWBSKCIGZRNJJ-UHFFFAOYSA-N 370.408 4.204 0 40 FIAB C[C@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1cc2ccccc2o1 9593202 VZGWSSUISWXTOK-AWEZNQCLSA-N 365.429 4.403 0 40 FIAB COc1cccc(NC(=O)Cc2csc(SCc3ccncc3)n2)c1 11856110 MHQOKFAYHSOXEO-UHFFFAOYSA-N 371.487 4.020 0 40 FIAB CSc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)c1 11856603 GUHUOBGFWMNFFA-UHFFFAOYSA-N 367.426 4.193 0 40 FIAB CCCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12242101 YDNMUOZCCWCFDP-UHFFFAOYSA-N 369.490 4.238 0 40 FIAB Nc1c(C(=O)NC2CCCC2)sc(=S)n1-c1ccc(Cl)cc1 12415454 GDVJJADRFZDYJH-UHFFFAOYSA-N 353.900 4.176 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(F)c1 12525593 WSAGWZOQDQIVKN-CQSZACIVSA-N 359.420 4.394 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(F)cc1 12547302 XCVRYGHKOIWAOK-GOSISDBHSA-N 369.465 4.019 0 40 FIAB Cc1ccnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c1 12561705 WGMOMNZREGJURU-UHFFFAOYSA-N 364.424 4.236 0 40 FIAB O=c1[nH]cc(-c2ccc(F)cc2)cc1CNc1cccc(Cn2cccn2)c1 12670642 QGWSQBMANRLXEC-UHFFFAOYSA-N 374.419 4.038 0 40 FIAB O=S(=O)(NCC1(c2cccs2)CCCC1)c1ccc(Cl)s1 13804497 MISHUOBGJLWLEH-UHFFFAOYSA-N 361.941 4.253 0 40 FIAB Cc1cc(C)c(NC(=O)COc2ccc(N3CCCC3=O)cc2)c(Cl)c1 14349484 JKDFXWHODRKWEP-UHFFFAOYSA-N 372.852 4.101 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 16601532 GAJRLMVYLYFPFD-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB O=C(c1cnc2ccccc2c1Nc1ccc(Cl)cc1)N1CCOCC1 17200774 IZRIWGHRFHERBU-UHFFFAOYSA-N 367.836 4.104 0 40 FIAB C[C@H](C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1)n1cc(Cl)cn1 19078402 WZECZAVZNSWEII-PBHICJAKSA-N 368.868 4.052 0 40 FIAB CCCOc1ccc(C(=O)CCNc2ccc3c(c2)CCC(=O)N3)cc1 19625340 GFCCHFFVTOKGHI-UHFFFAOYSA-N 352.434 4.045 0 40 FIAB Cc1nc([C@H]2CCCN2C(C)C)nc2c1CCC(=O)N2CC1CCCCC1 19743245 LRCSRMUMVAWJQS-LJQANCHMSA-N 370.541 4.190 0 40 FIAB COc1ccc(NC(=O)c2cccc(C)c2OC)cc1-c1ccc(CO)o1 20143059 SOAXLUCDMCEXOG-UHFFFAOYSA-N 367.401 4.017 0 40 FIAB CC[C@@H](C)[C@@H](C(=O)OCc1nc(-c2cccnc2)no1)c1ccccc1 22130796 XMGUEJZGMZBUAL-RDTXWAMCSA-N 351.406 4.005 0 40 FIAB CCc1cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)sc1C 22284168 ZBUJUKLNWLWQHJ-UHFFFAOYSA-N 362.476 4.498 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccnn2C(C)C)cs1 22292401 IGVHRCQMXWYDCZ-UHFFFAOYSA-N 370.478 4.167 0 40 FIAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 22511852 NFMKVVKGTDFGQA-UHFFFAOYSA-N 357.884 4.261 0 40 FIAB CCCn1c(=N)n(CC(=O)Nc2c(CC)cccc2CC)c2ccccc21 25286149 ZOVGJUYREZQXNQ-UHFFFAOYSA-N 364.493 4.096 0 40 FIAB COc1ccc(OCC(=O)Nc2ccccc2N2CCc3ccccc32)cc1 31532261 CXJAHWGCMXRQRH-UHFFFAOYSA-N 374.440 4.407 0 40 FIAB CC(C)CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc2[nH]ccc2c1 32101748 WJBXGRAALHRMEM-UHFFFAOYSA-N 374.448 4.120 0 40 FIAB Cc1nc(CSCCC(=O)N[C@H](C)c2ccc(F)c(F)c2)cs1 36393448 BCXMMDLMUWVYQY-SNVBAGLBSA-N 356.463 4.230 0 40 FIAB Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)s1 46600793 BCABYUACSGVRAS-CHWSQXEVSA-N 371.506 4.371 0 40 FIAB O=C(NCc1ccoc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 47746538 IGSXSXIFMVZARK-UHFFFAOYSA-N 353.344 4.220 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)o1 48301460 OPCKGXQGXZJCJZ-UHFFFAOYSA-N 352.312 4.240 0 40 FIAB CCN(CC)[C@H](CNC(=O)C(F)(F)c1ccccc1)c1ccsc1 48333363 HDNYPTBPOICBCU-MRXNPFEDSA-N 352.450 4.039 0 40 FIAB CSc1nc2ccc(NC(=O)N(C[C@H]3CCOC3)C3CC3)cc2s1 58168194 QDCFBPYZOYHTHG-LLVKDONJSA-N 363.508 4.051 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 64982254 WSJCBKVZEZGFDY-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB COc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377446 DKYDEGJUSVYHKQ-QGZVFWFLSA-N 367.478 4.022 0 40 FIAB c1cnc(Nc2nccc([C@H]3CCCCN3CC3CCCCC3)n2)cn1 72377847 ZYSNKGNXADZGTL-GOSISDBHSA-N 352.486 4.118 0 40 FIAB CCOc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(C)cc1C 72414298 DLJSBSPDWYGCBZ-UHFFFAOYSA-N 356.447 4.051 0 40 FIAB Cc1nnc(C2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)s1 75149298 ZKSWGWZRNBYVIR-UHFFFAOYSA-N 361.536 4.126 0 40 FIAB COc1cccc2c1O[C@H](C)C(=O)N(c1cccc(C(F)(F)F)c1)C2 75165529 JCYWLVVJMUSKMZ-LLVKDONJSA-N 351.324 4.028 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccccc1OCc1ccccn1)SCC(O)=N2 79483255 QHGSBQUWRVYCSK-SFHVURJKSA-N 366.446 4.116 0 40 FIAB COc1ccccc1-c1nc(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)cs1 83982715 CTKCUOCDRATUEA-HZPDHXFCSA-N 368.433 4.244 0 40 FIAB O=C(c1ccc(Cl)cc1Cl)N1CCC(Oc2ccccn2)CC1 90607484 WVOVJANRTWFRJB-UHFFFAOYSA-N 351.233 4.072 0 40 FIAB Cc1ccc(OCCc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 95116385 BCPLHWFCNIANKT-UHFFFAOYSA-N 373.865 4.374 0 40 FIAB COc1ccc(NC(=O)c2c(C(F)(F)F)ccnc2Cl)cc1OC 95939759 UKWJKEQQNUDMHI-UHFFFAOYSA-N 360.719 4.023 0 40 FIAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCC[C@H]1c1ccc[nH]1 95953862 ZINQAHUEWZFXIK-INIZCTEOSA-N 352.356 4.071 0 40 FIAB CCN(Cc1nc(N)c2c(C)c(C)oc2n1)[C@@H](C)c1cccc(OC)c1 95966999 IPKLZKIQEHKCKH-ZDUSSCGKSA-N 354.454 4.014 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccs2)S1 96118452 DARJCSKRRLMTMM-FZMZJTMJSA-N 363.508 4.254 0 40 FIAB COc1ccc(C(=O)Nc2cccnc2SCc2ccccn2)cc1 96232468 JYAAFDFQUCQPLB-UHFFFAOYSA-N 351.431 4.030 0 40 FIAB C[C@@H]1C[C@H]1C(=O)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242453 BKFQWENQZBTOIE-WIYYLYMNSA-N 366.549 4.209 0 40 FIAB C[C@@H](O)c1sc(Br)c(Br)c1Br 96525486 CGGLETXAIAXSOO-UWTATZPHSA-N 364.884 4.089 0 40 FIAB CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1cccc(Br)c1 97105887 IMVXMCPLMKKJIU-KRWDZBQOSA-N 361.214 4.286 0 40 FIAB CC(=O)OCCCc1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 97117651 BPZBOGNJQDZZQF-HXUWFJFHSA-N 366.461 4.204 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)c1 169890544 MERRSPSPBMMNRF-UHFFFAOYSA-N 369.808 4.164 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c1C 219544411 QJGFJXUZFXBOII-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222820747 JWMZFBMEFSJVGS-HNNXBMFYSA-N 362.901 4.084 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)NCCCN1CCCCCC1 223184514 NNHZUWNMMDRIBT-UHFFFAOYSA-N 372.937 4.095 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1ccc(C)cc1C 223310086 GZKLXVMZEOXRRD-IBGZPJMESA-N 353.462 4.273 0 40 FIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223707713 PBDPEEYCVDGINZ-UHFFFAOYSA-N 359.491 4.001 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2cccc(C)c2C)cc1 223963571 ZIRUYDYOOMRBGW-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)COc2ccccc2F)c2ccccc2O1 224355448 ROAZVPZICMAHNP-QGZVFWFLSA-N 357.425 4.403 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)[nH]1 224390184 VRLDSBNZBUNBAL-RBUKOAKNSA-N 366.465 4.343 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc(C)c3C)ccc21 225107754 DCZYCOPLDGKKQU-AWEZNQCLSA-N 370.474 4.106 0 40 FIAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1 226038194 BHDPVSSUYUUDAI-UHFFFAOYSA-N 363.291 4.073 0 40 FIAB Cc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 306136674 PZUIYQKKGIDINW-OAQYLSRUSA-N 365.502 4.095 0 40 FIAB Cc1ccc2oc(C(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)cc2n1 329517492 PJPQGEIZYNZOIY-INIZCTEOSA-N 364.449 4.255 0 40 FIAB COc1ccc(OC)c(-c2ccc(OC(=O)c3cccc(Cl)c3)nn2)c1 408534275 USHRDVRRVHXUSE-UHFFFAOYSA-N 370.792 4.033 0 40 FIAB O=C([C@@H]1CCO[C@H]1c1ccncc1)N1CCCCc2cc(Cl)ccc21 622959910 QQNLRQKFGCFHDT-MJGOQNOKSA-N 356.853 4.182 0 40 FIAB CC(C)[C@H]1N(C(=O)NCC2(c3ccccc3)CCOCC2)CC12CC=CC2 645178545 JXRIBXQLXDSXJL-HXUWFJFHSA-N 368.521 4.121 0 40 FIAB CC(C)(C)c1nc2ccccc2n1C1CN(c2nnc(C3CC3)s2)C1 1889191929 LWCDWVZYNANKGS-UHFFFAOYSA-N 353.495 4.124 0 40 FIAB CC1(C)C[C@]2(CCCN2Cc2cncc(F)c2)CN1c1ccc(F)cc1 2037989198 YWYHLTILYIXVRL-OAQYLSRUSA-N 357.448 4.383 0 40 FIAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C)cc2)C3=O)cc1 793738 ABQRFJYKSNJDGN-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 882339 SIGDCJDKRMJCMS-RYUDHWBXSA-N 365.886 4.272 0 40 FIAB CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3cccs3)cc12 944466 HUWUMXHFBGBOBJ-UHFFFAOYSA-N 369.851 4.460 0 40 FIAB CCOc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1OCC 989819 UXFUAUXEXVANBY-GOSISDBHSA-N 372.490 4.278 0 40 FIAB CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccco1 1364354 ZCEWTKOMBLWBDH-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB CCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 2176374 KDNZFHZMXADHPE-UHFFFAOYSA-N 364.445 4.162 0 40 FIAB Cc1cc2c(c(Cl)n1)C(=O)N(Cc1ccc(Cl)cc1Cl)C2=O 2555932 NGUJSTDPKDUMMF-UHFFFAOYSA-N 355.608 4.146 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2C)c1 2723132 BHRXDZUMQSGVKH-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB O=C(CSc1cccc[n+]1[O-])Nc1c(Cl)cc(Cl)cc1Cl 3223362 WVDIBTBWSYBTPK-UHFFFAOYSA-N 363.653 4.011 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)c2c[nH]c3ccccc23)cc1 3249949 MAKXJLCWBQKZMN-UHFFFAOYSA-N 362.458 4.340 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc4c(C)cc(=O)oc4c3)cc2)n1 3279592 QBINXXUCRZNDAF-UHFFFAOYSA-N 374.396 4.123 0 40 FIAB O=C(COc1ccc2c(c1)OCO2)Nc1cc(C(F)(F)F)ccc1Cl 3325259 FPCLPDUTHFNRBD-UHFFFAOYSA-N 373.714 4.105 0 40 FIAB CCN1C(=O)c2cccc3c(NC(=O)c4c(F)cccc4F)ccc1c23 4071292 CREKBTDMOWBKME-UHFFFAOYSA-N 352.340 4.350 0 40 FIAB COc1ccc(OC)c([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1 4571548 NXJHHZZPLVRTHF-DYZYQPBXSA-N 358.463 4.319 0 40 FIAB Cc1cc2nnc(SCC(=O)c3cc(C)n(C)c3C)n2c2ccccc12 4843484 NFXXXLBYHUIYJF-UHFFFAOYSA-N 364.474 4.121 0 40 FIAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1cc(C)on1 4849478 HUZRJROCITVWDL-UHFFFAOYSA-N 355.463 4.441 0 40 FIAB O=C1/C(=C2/CCCCCN2)c2ccccc2N1C(=S)Nc1ccccc1 4864044 GVDROCFLEMWFTB-ZPHPHTNESA-N 363.486 4.305 0 40 FIAB O=C(CNc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 5090230 ANHGDMFQYGNNAU-KRWDZBQOSA-N 359.267 4.055 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)cc1)N2 5557138 WVLYGPOXEUFRSD-SJORKVTESA-N 367.840 4.036 0 40 FIAB Cc1nc(Cc2nnc(SCc3nc4ccccc4s3)o2)cs1 5832504 GYKWVMXTYBMFLH-UHFFFAOYSA-N 360.489 4.327 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)c(C)c1 5860041 MBDWDNBKFJRQDO-UHFFFAOYSA-N 351.475 4.382 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C)cc1 5863851 NIOLCYRXHXNXQQ-ZDUSSCGKSA-N 370.478 4.318 0 40 FIAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc(F)cc1 6337141 UZZWGNBGIFAHOL-FMIVXFBMSA-N 360.310 4.499 0 40 FIAB Cc1ccccc1-c1ccc(SCC(=O)Nc2ccc(F)c(F)c2)nn1 7596542 SKXNKMVJXXIATI-UHFFFAOYSA-N 371.412 4.461 0 40 FIAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(C)c1-c1ccc(F)cc1 8080574 CFGUOKAABXHMAI-XDOYNYLZSA-N 370.449 4.205 0 40 FIAB Nc1nc(SCCCC(c2ccc(F)cc2)c2ccc(F)cc2)n[nH]1 8513701 ZMYYEMSEVAEBEF-UHFFFAOYSA-N 360.433 4.370 0 40 FIAB CCCOC(=O)c1ccc2nc(C)c(CN3CCCC[C@@H]3C)c(O)c2c1 8717207 SKQUUCMEJLDJKL-AWEZNQCLSA-N 356.466 4.190 0 40 FIAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc2ccccc2c1 8909789 TVTMEZBXPZJJPL-LJQANCHMSA-N 374.440 4.001 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(F)c(F)c1 10139674 WXYYONRCVBEIIW-UHFFFAOYSA-N 369.415 4.264 0 40 FIAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 10888821 XLQAHZJHUQXUQR-BQFCYCMXSA-N 357.523 4.356 0 40 FIAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccccc1 11692362 QGUVMHJOVBYCSI-UHFFFAOYSA-N 371.392 4.478 0 40 FIAB Cc1ccc2[nH]c([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)nc2c1 12221581 ANLOSVRTXYJPEI-QGZVFWFLSA-N 365.481 4.259 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 13020442 WJQCNQSWQZMSCE-NSHDSACASA-N 366.845 4.032 0 40 FIAB CCCCC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2 13945489 WHRNADNULAZFFB-UHFFFAOYSA-N 353.418 4.126 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 14909649 QQCJPCGUNCDOCD-CQSZACIVSA-N 356.853 4.455 0 40 FIAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc3c(c2)OCCO3)s1 15840227 ZQYVSPFWEDSQAQ-UHFFFAOYSA-N 372.471 4.132 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 17971155 WVGQHTRDEFFMFR-CQSZACIVSA-N 364.401 4.032 0 40 FIAB COc1ccc(CCNCc2ccc(-c3ccc(F)cc3)o2)cc1OC 19872549 UIZCLOITUOHKJN-UHFFFAOYSA-N 355.409 4.435 0 40 FIAB COc1c(S(=O)(=O)Oc2cc(C)ccc2C)ccc(Cl)c1Cl 19943604 RDMDLJBSXOEZQQ-UHFFFAOYSA-N 361.246 4.387 0 40 FIAB COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cccc(O)c2O3)c1OC 20132943 DPGMBIBPDMWALH-UHFFFAOYSA-N 368.414 4.225 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)c1 20372370 SSXAWISEFUXXEY-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB COc1cc([C@H]2SCC(O)=Nc3n[nH]cc32)ccc1OC1CCCC1 20739050 XSQLQJGQWQHFOH-QGZVFWFLSA-N 359.451 4.164 0 40 FIAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 21334994 HRXQHVIUUJCDFF-VIFPVBQESA-N 362.398 4.469 0 40 FIAB O=C(Cc1ccccc1)Nc1cc(-c2ccc(Br)cc2)no1 27747205 KNVLDFJYQUFAFL-UHFFFAOYSA-N 357.207 4.285 0 40 FIAB Cc1cc(CN2CCN(Cc3ccc(-c4ccccc4F)s3)CC2)no1 27905079 HJZXUYATPFPNMV-UHFFFAOYSA-N 371.481 4.168 0 40 FIAB Cc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)n(C2CCCC2)n1 28245810 QJPUZRMROBPOTB-UHFFFAOYSA-N 363.465 4.361 0 40 FIAB Cc1nn(C[C@@H](O)Cn2c(C)c(C)c3cccc(Cl)c32)c(C)c1Cl 28296769 IWDUASPAZQHKHM-AWEZNQCLSA-N 366.292 4.439 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(C(F)(F)F)c1 29630499 YVWWXYOOCHAUKQ-UHFFFAOYSA-N 353.388 4.356 0 40 FIAB COc1ccccc1CNC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 30983087 FDRZNZAFNPGTBF-GFCCVEGCSA-N 352.356 4.274 0 40 FIAB O=C(Cc1cccc(F)c1)NCc1cccnc1Oc1cccc(F)c1 32924689 BSCMGVZYGGIPRE-UHFFFAOYSA-N 354.356 4.011 0 40 FIAB COc1cc(C(=O)NCc2cccnc2Oc2cccc(F)c2)ccc1C 32924771 FNAQNXWTGJFHQD-UHFFFAOYSA-N 366.392 4.260 0 40 FIAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(Cl)cc1 33774392 FAMXBSGMKMBALR-UHFFFAOYSA-N 356.834 4.326 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)cc(C)c2)cc1 35289613 XFLYPKNFPRILJW-IBGZPJMESA-N 351.450 4.247 0 40 FIAB Cc1cccc(N2CCN([C@@H](C)C(=O)c3c[nH]c4ccccc34)C[C@@H]2C)c1 35848528 KCZAQAHHAUAFPT-ROUUACIJSA-N 361.489 4.258 0 40 FIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCCC[C@@H]3C)c12 36616454 FIAZNELWSXABFJ-LBPRGKRZSA-N 354.479 4.020 0 40 FIAB O=C(NCc1cccnc1)c1cc2sccc2n1Cc1ccccc1F 37526432 NKDDLLHJFDYABK-UHFFFAOYSA-N 365.433 4.215 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1CCCC[C@H]1C 38500894 ZCBONLKBAYODFZ-RHSMWYFYSA-N 359.445 4.109 0 40 FIAB COc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 39757803 LMUNJSWNQADTIH-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB Cc1cccc(-n2c(SC[C@H]3CCOC3)nc3ccccc3c2=O)c1C 42128394 IYIGHAPKGSNIOH-INIZCTEOSA-N 366.486 4.131 0 40 FIAB COc1cc(C(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)ccc1C 47407301 HTCDNUYXVVFMBO-UHFFFAOYSA-N 360.841 4.048 0 40 FIAB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(CN(C)C)c1 47454220 GRDWWDCLTFQUCQ-UHFFFAOYSA-N 353.397 4.103 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2occc2COc2ccccc2)cn1 48253287 UPYSRDIINNRWTF-UHFFFAOYSA-N 365.433 4.352 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)c1cc2ccc(F)cc2nc1C 48300802 NKTYLBFRGIPDBV-UHFFFAOYSA-N 350.393 4.284 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364551 LKCZYLVFIDOYRY-QGZVFWFLSA-N 362.404 4.293 0 40 FIAB O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccco1 55236083 NUGDFQNHGFYHFK-UHFFFAOYSA-N 364.449 4.030 0 40 FIAB Fc1ccc([C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2c2cc[nH]n2)cc1 57773942 WHXMFXSCHZCNKJ-DLBZAZTESA-N 357.379 4.210 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc2ccccc2c(=O)[nH]1 60559049 PWPNCQBJBSUBMQ-UHFFFAOYSA-N 361.228 4.107 0 40 FIAB O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cccc(CN2CCCC2)c1 65488800 USCJPAXDOSNTJG-LJQANCHMSA-N 370.880 4.189 0 40 FIAB C[C@@H]1CCN(C(=O)c2ccccc2CSc2nc3ccccc3[nH]2)C1 65588548 DKQMTIYWEGJABK-CQSZACIVSA-N 351.475 4.337 0 40 FIAB Cc1cc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c2ccc(F)cc2n1 70012949 KFNWMBMBHUXIJP-GOSISDBHSA-N 368.383 4.465 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCC2)C12CCCC2 71282044 MNXVYNMKHLCOQQ-UZLBHIALSA-N 368.521 4.396 0 40 FIAB Cc1ccc2ncc(S(=O)(=O)c3cc(F)cc(F)c3)c(Cl)c2c1 72329768 QCAXENJXVMJEBW-UHFFFAOYSA-N 353.777 4.308 0 40 FIAB O=C(/C=C/c1cccs1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096579 UFCGNTLWXFIAGH-ONEGZZNKSA-N 371.487 4.279 0 40 FIAB COc1c(C)cccc1CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100763737 DVKPEFRURJKSAO-ROUUACIJSA-N 355.453 4.157 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)NC[C@@H]2COc3ccccc3O2)cc1 104913282 FZPUWXOORIMINY-MRXNPFEDSA-N 365.454 4.293 0 40 FIAB O=C(NCCc1nc(C2CCCCC2)cs1)[C@@H]1CCOc2ccccc21 111095965 HKIZAVUEXGEEHV-QGZVFWFLSA-N 370.518 4.416 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC)c(C)c3)N21 222647926 HNAMTAANIYPADF-AYOQOUSVSA-N 353.491 4.378 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCc1ccc(OC)cc1 223010478 TZWCULGGBFXDMT-IBGZPJMESA-N 361.869 4.173 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223046275 ALWZSJCMQALZRG-OAHLLOKOSA-N 367.445 4.148 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CCc3ccccc3Cl)s2)cc1 223595686 LSETXNGPKDTJHM-UHFFFAOYSA-N 373.865 4.438 0 40 FIAB CCCOCc1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1OCC 224707873 YVAJBUIABMXYLL-UHFFFAOYSA-N 371.433 4.051 0 40 FIAB O=C(O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522550 IHYWYGIPOQOWDG-UHFFFAOYSA-N 373.836 4.254 0 40 FIAB Cc1ccc2c(c1)NC(=O)CN(C(=O)c1ccccc1)[C@H]2c1ccccc1 225537147 LDHQJWMLBSFHDV-QFIPXVFZSA-N 356.425 4.179 0 40 FIAB COc1ccc(C2(NC(=S)Nc3ccccc3)CCCC2)cc1OC 225840215 YIVXNXWCCKPFKU-UHFFFAOYSA-N 356.491 4.460 0 40 FIAB CCn1c([C@@H](C)NC(=O)[C@@H]2CCCCN2C2CCCC2)nc2ccccc21 333531629 YDXCDYLUPQSNRK-UZLBHIALSA-N 368.525 4.031 0 40 FIAB CCOc1cccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1O 409148013 XTIKCMMUAWLGCI-LFIBNONCSA-N 361.463 4.408 0 40 FIAB O=C(NCc1nccnc1-c1ccsc1)c1cc2cc(F)ccc2s1 575618993 KWEROIFOTBVKCX-UHFFFAOYSA-N 369.446 4.489 0 40 FIAB CN1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)c3ccncc23)C1 591456114 FCNGDTVICQKRMV-CQSZACIVSA-N 365.408 4.056 0 40 FIAB CCc1ccc([C@@H]2COCCN2C(=O)c2[nH]c3ccccc3c2Cl)o1 605564348 APMGHFTXRBQCGF-HNNXBMFYSA-N 358.825 4.190 0 40 FIAB CCNc1ccc(Cl)cc1C(=O)N1CCO[C@@H](C2CCCCC2)C1 622510012 TTZHHTUBEQVTTK-GOSISDBHSA-N 350.890 4.193 0 40 FIAB O=C(NCc1cncc(-c2cccnc2)c1)c1ccccc1C(F)(F)F 828182436 QZKDDMJVWGTGST-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB Cc1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc12 948396 XJTQXXKQFUMXDA-UHFFFAOYSA-N 366.442 4.045 0 40 FIAB CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)(C)C)c(C)s1 1366713 VCPDODZKJALKBU-UHFFFAOYSA-N 357.479 4.012 0 40 FIAB O=C1CN2C(SCc3c(F)cccc3Cl)=Nc3ccccc3C2=N1 1389964 WCANEMDMURZYOF-UHFFFAOYSA-N 359.813 4.002 0 40 FIAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1nccs1 2328156 JRTMBMOCGZCNAR-UHFFFAOYSA-N 351.453 4.137 0 40 FIAB CCCCOCCCn1c(-c2ccco2)nc2nc3ccccc3nc21 2412389 ITUGWJLIKSGELJ-UHFFFAOYSA-N 350.422 4.446 0 40 FIAB aggregator Cc1ccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)cc1 2719711 GEDNGQROQBQAKV-UHFFFAOYSA-N 366.511 4.481 0 40 FIAB ClC1(Cl)C[C@@H]1CSc1ncnc2c1cnn2-c1ccccc1 3368713 GZRCQTDZXYULKG-SNVBAGLBSA-N 351.262 4.101 0 40 FIAB COc1cccc(-c2cc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)no2)c1 3907953 KUPVMDKCRMNEOZ-QVKFZJNVSA-N 354.450 4.391 0 40 FIAB O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccco1 4069828 KHVKQZSLVQUNEX-UHFFFAOYSA-N 372.349 4.462 0 40 FIAB COc1ccccc1C(=O)N1CCN=C1SCc1cccc(Cl)c1 4120607 XUKLARUTZZEXNM-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB COc1ccccc1NC(=O)CCCc1nc(-c2cccc(C)c2)no1 4433712 IRUDNJJAUVSFQK-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB CCOc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 4590005 OSFCMFRSJANIAH-UHFFFAOYSA-N 373.865 4.433 0 40 FIAB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)NC(=S)N1c1ccccc1F 4801712 OSMGJNMAUTVZKV-MDWZMJQESA-N 367.232 4.395 0 40 FIAB COc1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)cc1F 5016453 SNLVDFPRBCMPLO-UHFFFAOYSA-N 372.465 4.493 0 40 FIAB O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1cc(Cl)ccc1Cl 5985647 MLOREUDAQGCYEG-UHFFFAOYSA-N 368.245 4.184 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1ccccc1F 6212660 TZNGZJYMRSSQDU-OUKQBFOZSA-N 350.393 4.385 0 40 FIAB C[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccc(Br)cc1 6343373 IYRFELFNJKMFRX-NSHDSACASA-N 368.658 4.359 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2C)c(F)c1 8415739 DGGRWLJGABEDKF-UHFFFAOYSA-N 372.465 4.325 0 40 FIAB CCOC(=O)c1c(NC(=O)CNC(C)(C)C)sc(C)c1-c1ccccc1 9313680 DQOMFWZVDJSCJA-UHFFFAOYSA-N 374.506 4.227 0 40 FIAB CSc1ncc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)n1-c1ccccc1 9367200 ODKZDALKIFJDGT-JKSUJKDBSA-N 355.507 4.247 0 40 FIAB c1nc(Nc2ccc3c(c2)OCCCO3)c2c3c(sc2n1)CCCC3 9465093 WKEJKKAEHNUUEE-UHFFFAOYSA-N 353.447 4.475 0 40 FIAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1 10336400 IAPRGOCPRFQBRT-UHFFFAOYSA-N 374.937 4.458 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 11173731 NXRLPHWYIGPVMJ-HNNXBMFYSA-N 366.465 4.210 0 40 FIAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)CC2CCCC2)C1 12221086 JKDWCKDMDDGUTB-SFHVURJKSA-N 364.493 4.249 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 12574435 XSKYQLQINFPTBM-MRXNPFEDSA-N 358.804 4.124 0 40 FIAB CCOC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccc(C)cc1 12589195 BNNDTJQAKHYMEL-UHFFFAOYSA-N 372.428 4.276 0 40 FIAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1c(F)cccc1F 12593224 GEACDSOOAUORMA-UHFFFAOYSA-N 371.412 4.398 0 40 FIAB Cc1ccc(OCC(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(C)c1 12793507 HPVPLUSXHRPLDX-HNNXBMFYSA-N 373.522 4.009 0 40 FIAB Cc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 12863951 VLZPNRAGFFLCIM-UHFFFAOYSA-N 366.870 4.044 0 40 FIAB Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)oc2c(Cl)cccc12 13012759 AHPVYDIKCWQWDI-UHFFFAOYSA-N 374.799 4.244 0 40 FIAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1nc(Cl)ccc1Cl 13625322 CRRIEXLDPAHQIF-UHFFFAOYSA-N 368.651 4.496 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 13995798 PRQCNVFQTMTVLG-UHFFFAOYSA-N 366.461 4.064 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)Nc1nnc(CC(C)C)s1 14197278 ZQWHYZUMHIFZEV-UHFFFAOYSA-N 364.521 4.482 0 40 FIAB Cc1ccc(-c2nnc(SCc3cc(F)cc4c3OCOC4)n2C)cc1 14198561 QGTFFSSUOPZYHD-UHFFFAOYSA-N 371.437 4.088 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 14800314 PPIPQNAOEQYWOX-ZDUSSCGKSA-N 353.397 4.106 0 40 FIAB COc1ccc(-c2noc(CN(C)Cc3ccc(Cl)cc3)n2)cc1OC 15301739 BKRJDNCPYJTMRJ-UHFFFAOYSA-N 373.840 4.039 0 40 FIAB Cc1cc(CNCc2ccc(N3CCCC3=O)cc2)cc(C)c1OC(F)F 15581089 XSNJGNGSMLFMJQ-UHFFFAOYSA-N 374.431 4.321 0 40 FIAB Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(C(C)C)cc1 15841881 XLQVBZLZJDMROI-UHFFFAOYSA-N 366.486 4.418 0 40 FIAB Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(O)c1 15922837 HXUCJVYOZIHMNX-UHFFFAOYSA-N 350.374 4.107 0 40 FIAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1 16959377 YINYWOXJBPCOPJ-UHFFFAOYSA-N 359.404 4.405 0 40 FIAB Cc1cccc(CN2CCC(c3nnc(-c4scnc4C)o3)CC2)c1 19234953 HXTJVZMVWGAUFC-UHFFFAOYSA-N 354.479 4.190 0 40 FIAB CCCC(=O)N1CCC[C@@H](c2noc3nc(CC)cc(C(F)(F)F)c23)C1 19501278 PCJDYXQHNQAJNX-LLVKDONJSA-N 369.387 4.310 0 40 FIAB COc1ccc2c(c1)C[C@@H](c1cccnc1OC)N[C@H]2c1cccc(F)c1 19562618 PUCYZEXUDXQPAU-SFTDATJTSA-N 364.420 4.214 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)no2)cc1 19715052 UCSQJLBFPABHNY-UHFFFAOYSA-N 369.490 4.377 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCc2ccccc21 20110162 HVBCWZCEJYQZSK-JOCHJYFZSA-N 366.505 4.030 0 40 FIAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(=O)O)c(O)c1 20144922 FKIXWOXBFAGBHH-UHFFFAOYSA-N 369.417 4.156 0 40 FIAB CCN(CC)Cc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 20457287 LTGWUEHJUJJTFX-UHFFFAOYSA-N 358.507 4.268 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1Cl 20459813 FJYSUSBQTBDHKW-UHFFFAOYSA-N 361.825 4.314 0 40 FIAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(C)c1)C3 20796134 ATRRDVSCHQIVTM-OAHLLOKOSA-N 366.490 4.238 0 40 FIAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 21358049 LSJOVPIGIWCRSL-VIFPVBQESA-N 354.189 4.128 0 40 FIAB Cc1nc(C2(NC(=O)c3ccc(C)c(-n4cccc4)c3)CCCCC2)no1 23508632 JHNLVBYXXJVRLV-UHFFFAOYSA-N 364.449 4.067 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Cl 24689119 GKPHYDHZVQEJMD-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccnn1Cc1ccc(C(C)(C)C)cc1 24838138 VLSUGGQJYJUEFV-UHFFFAOYSA-N 352.438 4.086 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 27462180 DDADSVCBVRLVQK-INIZCTEOSA-N 374.506 4.023 0 40 FIAB Cc1cccc(OCc2ccc(C(=O)Nc3nc4ccccc4n3C)o2)c1 28235925 FAFLGVJXAVPUEL-UHFFFAOYSA-N 361.401 4.306 0 40 FIAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 30652600 ALWZCWKSKGKFDA-NSRXFNMFSA-N 360.432 4.215 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 30943579 DQYYZGHDDJJCKS-MRXNPFEDSA-N 365.477 4.129 0 40 FIAB CC[C@H](C)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 33711877 VHZUUIWBAYOCDD-XOBRGWDASA-N 367.445 4.415 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1C 36390853 LOVXNVMNGOLYFX-UHFFFAOYSA-N 357.475 4.272 0 40 FIAB CCn1ncc(-c2cc(C(F)F)nc(NCCc3ccccc3)n2)c1C 36613767 IZXPVVDIVWIVPL-UHFFFAOYSA-N 357.408 4.261 0 40 FIAB O=C(CCn1ccc2ccccc21)OCC(=O)N(C1=CCCCC1)C1CC1 36776716 ORAGFBKFQZIIPG-UHFFFAOYSA-N 366.461 4.024 0 40 FIAB COc1cc(NC(=O)Nc2ccccc2Cl)ccc1N1CCCC1=O 38696460 NWQFXSGAZAQBSJ-UHFFFAOYSA-N 359.813 4.119 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)N(C)[C@H](C)c1cc2ccccc2o1 40056841 ABPTVZJKPBFDRH-OAHLLOKOSA-N 360.417 4.155 0 40 FIAB CC(C)C[C@@H](C)N(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 40068492 VAXFWFIRDVRFGE-QGZVFWFLSA-N 365.477 4.420 0 40 FIAB Nc1cc(C(=O)Nc2ccc(Br)cc2)ccc1Br 40293881 MWDSMDDMQMJRCM-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB O=c1ccc(-c2ccccc2Cl)nn1[C@H]1CCc2ccccc2N=C1O 44918605 MZUCUTQYYSEVBI-SFHVURJKSA-N 365.820 4.339 0 40 FIAB CN(CC(=O)N1CCC[C@H]1c1cccs1)Cc1c(F)cccc1Cl 48340688 DUMCDSWDUCCVTE-INIZCTEOSA-N 366.889 4.336 0 40 FIAB Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCCC3)cnc2n1 49004637 IRLTUGRFBVCORP-UHFFFAOYSA-N 368.387 4.196 0 40 FIAB O=C(O)[C@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1 49466880 LJOROKHWAVUILV-FCHUYYIVSA-N 371.436 4.295 0 40 FIAB CCOc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364462 TZWNUMSFCFRMCT-IBGZPJMESA-N 374.440 4.244 0 40 FIAB Cc1cc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)ccc1N1CCCC1 57935284 YLQCNVOMQRKCMR-OXJNMPFZSA-N 359.514 4.312 0 40 FIAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccccc1 58159370 WVMLMWJBJIMIDJ-INIZCTEOSA-N 351.349 4.319 0 40 FIAB O=C(Nc1ccn(Cc2ccccn2)n1)c1cc(F)c(Cl)cc1Cl 58186044 QNOHNRUARFZLMR-UHFFFAOYSA-N 365.195 4.025 0 40 FIAB O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 60481683 VZVVCRVCXDYMSS-FQEVSTJZSA-N 359.381 4.099 0 40 FIAB O=c1[nH]ncc(NCC2(c3cccc(C(F)(F)F)c3)CCCC2)c1Cl 63254553 PQDFUTNTFPEJSX-UHFFFAOYSA-N 371.790 4.366 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c(OC)cc1Cl 64982959 GWAWCMJMASJBCI-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB O=C1CCc2cc(C(=O)CSc3ncc(-c4ccccc4)o3)ccc2N1 65848950 QBSNIGYNMVDOEI-UHFFFAOYSA-N 364.426 4.201 0 40 FIAB CC[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccccc1 71195083 WWXCVFGIKLPGES-HNNXBMFYSA-N 350.418 4.274 0 40 FIAB COc1ccc(-c2csc(CNC(=O)Nc3ccc(C)cc3)n2)cc1 72264926 VTFJNIKVGGVPEW-UHFFFAOYSA-N 353.447 4.449 0 40 FIAB Cc1cccc2c(C[C@H](C)NC(=O)c3cccc(Cn4cccn4)c3)c[nH]c12 72390297 UHQAVWNJEPZYCW-KRWDZBQOSA-N 372.472 4.082 0 40 FIAB CC[C@@H]1CN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CCO1 75118296 TVJYHLTTYFVUDS-QGZVFWFLSA-N 363.477 4.237 0 40 FIAB CC(C)[C@@H](Cc1ccc(F)cc1)NCc1nnc(-c2ccccc2F)o1 95466669 ZZLFNVLCNQISLS-GOSISDBHSA-N 357.404 4.372 0 40 FIAB O=C1CCC2(CCC(NCC3CCCCC3)CC2)N1Cc1ccncc1 96228606 HNIYVXLOMJGBGS-UHFFFAOYSA-N 355.526 4.055 0 40 FIAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 107345173 SJEFRNKYNQEGNJ-GUDVDZBRSA-N 359.828 4.183 0 40 FIAB O=C(O)c1ccc2c(Br)ccc(OCc3ccccc3)c2n1 150296847 LPLMSNIENJYPAP-UHFFFAOYSA-N 358.191 4.275 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(C(F)(F)F)cc1 206713227 ORLCPXRFYJDLGA-INIZCTEOSA-N 371.786 4.141 0 40 FIAB COc1cccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 216327136 AYZRYRPJLNQKKX-KRWDZBQOSA-N 355.478 4.335 0 40 FIAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CCS1 219268023 XQLAWYHYYBSBCO-IBGZPJMESA-N 367.474 4.299 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223629885 AWSKCCSWIXRSLL-JKSUJKDBSA-N 353.462 4.219 0 40 FIAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1OC 224244687 WBNMFCDLEXRPBS-UHFFFAOYSA-N 369.461 4.155 0 40 FIAB COC(=O)c1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1 225345410 QUGGQRFMVLCPRT-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253623280 OAZITJUUAWYFTF-VATAJPFYSA-N 360.494 4.066 0 40 FIAB Cc1ccc(N2CCC(N(CC(=O)O)Cc3cccc(Cl)c3)CC2)cc1 257306883 SWKRIGADFCCKHL-UHFFFAOYSA-N 372.896 4.204 0 40 FIAB CCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 408624207 BOMWGJFXDSBEEB-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB COc1ccc(OCCCC(=O)NCCSC2CCCCC2)cc1 408705300 BRTSQBKCSKJLLC-UHFFFAOYSA-N 351.512 4.036 0 40 FIAB O=C(CCCOc1ccc(Cl)cc1)NCCSCc1ccco1 408705365 DBVHEGAKFXXPBF-UHFFFAOYSA-N 353.871 4.142 0 40 FIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Cc1ccccc1 408714272 MROZNVANTZGBIT-UHFFFAOYSA-N 363.461 4.235 0 40 FIAB COC(=O)c1ccc2nc(NC(=S)Nc3ccc(C)cc3)sc2c1 409188112 ARDWYQWPHFRUFY-UHFFFAOYSA-N 357.460 4.200 0 40 FIAB CC(=O)N1CC[C@@](C)(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 562268812 YUYDBSPYUXWTOG-HXUWFJFHSA-N 372.852 4.329 0 40 FIAB COC(=O)c1cn([C@@H]2[C@H]3CCC[C@H]2C2=C(CCCC2)C3)cc2c(O)nnc1-2 575443660 ZUXDXGUQGPHIGN-ZUEVXXBESA-N 367.449 4.107 0 40 FIAB Cc1n[nH]cc1C1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)CC1 585082137 MZMVQVFJAIQKMW-NRFANRHFSA-N 367.493 4.125 0 40 FIAB C[C@@H](Oc1cccnc1NC(=O)NC[C@@H]1CCOC1(C)C)c1ccccc1 666744275 VQNYTVSYOHEHBZ-WBVHZDCISA-N 369.465 4.158 0 40 FIAB Cc1cc(OC[C@@H]2CCCN(c3cccc(C(F)(F)F)n3)C2)ccn1 1776001320 LNNXOILSGDQCER-CQSZACIVSA-N 351.372 4.099 0 40 FIAB COC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1 947594 BMVFPFBLMWTPAM-UHFFFAOYSA-N 356.385 4.222 0 40 FIAB Cc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)no1 1018859 OJBCNVHXTPDOSF-UHFFFAOYSA-N 365.867 4.491 0 40 FIAB O=c1nc(NCc2ccccc2)ccn1Cc1c(Cl)cccc1Cl 1277736 VNFSIIJCEPIGDC-UHFFFAOYSA-N 360.244 4.211 0 40 FIAB Oc1ccc(-c2nn3c(Cc4ccccc4)nnc3c3ccccc23)cc1 2348029 TWRJJPMQHNLSLT-UHFFFAOYSA-N 352.397 4.241 0 40 FIAB Cc1ccc2c(COC(=O)c3ccc4ncsc4c3)cc(=O)oc2c1 2627907 SJNOUNOKCOAMBA-UHFFFAOYSA-N 351.383 4.068 0 40 FIAB CC(C)CCNC(=O)C(=Cc1ccc(Cl)cc1)C(=O)NCCC(C)C 3258981 OSACMOAPJUZQHV-UHFFFAOYSA-N 364.917 4.048 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NC[C@H]4COc5ccccc5O4)c23)C1 3342402 XQOXACURCVNSFE-OLZOCXBDSA-N 367.474 4.068 0 40 FIAB C[C@@H]1CCc2c(sc(N)c2C(=O)c2ccc(Br)cc2)C1 3434687 WPAFOYNQSRQPDJ-SECBINFHSA-N 350.281 4.449 0 40 FIAB Cc1cccc(CSc2ncnc3c2nnn3Cc2ccc(F)cc2)c1 4166475 MJFPXDDXOTZJEB-UHFFFAOYSA-N 365.437 4.009 0 40 FIAB COc1ccc(C(=O)CSc2ccc(-c3ccc(OC)cc3)nn2)cc1 4355784 NMVQOJCRBDFWGZ-UHFFFAOYSA-N 366.442 4.136 0 40 FIAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCCC[C@@H]1C)OCO3 4849525 JHORDIJUSRQXNU-ZDUSSCGKSA-N 372.490 4.019 0 40 FIAB CCOc1ccc(-n2ccnc(SCc3ccc(C)cc3)c2=O)cc1 4853206 NOOHKIMFMKGPCZ-UHFFFAOYSA-N 352.459 4.232 0 40 FIAB C[C@H](Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)c1ccccc1 5156726 BLOSZOWUKOEJEQ-LBPRGKRZSA-N 351.431 4.314 0 40 FIAB CCC(CC)C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F 5259106 XSKDNCQURHISQC-UHFFFAOYSA-N 367.424 4.208 0 40 FIAB COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 5357818 NDBORFBRDKVKJD-UHFFFAOYSA-N 371.487 4.420 0 40 FIAB CCOc1cc(C=O)c(Br)cc1OCc1cccc(F)c1 5651958 ZUVABZXNNYGJMO-UHFFFAOYSA-N 353.187 4.378 0 40 FIAB C[C@@H]1[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@H]2CCCCN21 5758913 MWRBNPVKOTZDOJ-STZQEDGTSA-N 362.517 4.198 0 40 FIAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1cccc(F)c1 6604922 JHEQAZFMGDHCGC-UHFFFAOYSA-N 363.388 4.217 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1 6610915 BINKRUKPVVSSCZ-UHFFFAOYSA-N 354.281 4.127 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Cl)c1 6752945 INGYLBNUBRUABC-IBGZPJMESA-N 367.836 4.391 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(C(F)(F)F)n3C)o2)cc1 7180737 FGDZIWPYRSZKOL-VIFPVBQESA-N 369.372 4.046 0 40 FIAB CCc1ccc2c(CC(=O)Nc3ccc(N4CCOCC4)cc3)coc2c1 7736812 WPRJVOAUYKTBAH-UHFFFAOYSA-N 364.445 4.013 0 40 FIAB CCn1c(SCc2csc(-c3ccc(C(C)C)cc3)n2)n[nH]c1=O 8036556 MDGDNHRPWUTUES-UHFFFAOYSA-N 360.508 4.131 0 40 FIAB COc1ccc2[nH]/c(=N/C(=O)c3ccc(Cl)cc3Cl)sc2c1 9009621 INEPRIBQJVBUII-UHFFFAOYSA-N 353.230 4.286 0 40 FIAB Cc1cc(C(=O)NCC2(N3CCCCC3)CCCCC2)c(C)n1C1CC1 9390341 PKNBUBJFDHKKMW-UHFFFAOYSA-N 357.542 4.358 0 40 FIAB Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)o1 9836788 COXMJPZXBVBCHK-UHFFFAOYSA-N 359.813 4.342 0 40 FIAB COc1ccccc1NC(=S)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10184219 IETMDQHBAGCCAV-CQSZACIVSA-N 366.490 4.148 0 40 FIAB C[C@@H](NC(=O)c1ncoc1-c1ccccc1C(F)(F)F)c1ccccn1 12115188 ZYFABUYVEOWXTN-LLVKDONJSA-N 361.323 4.246 0 40 FIAB CCN(CC)c1ccc(-c2nnc(SCc3c(C)noc3C)n2C)cc1 12596706 VXVGUXVUCAOEEY-UHFFFAOYSA-N 371.510 4.225 0 40 FIAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc2ccccc2[nH]1 12756704 GUEBZDFFAXUFSD-FQEVSTJZSA-N 362.429 4.079 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccc(F)c1 12807848 GLEMOMJDHXZUQL-HNNXBMFYSA-N 355.240 4.165 0 40 FIAB O=S(=O)(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1 12881833 RMUCTBOYSAMJIR-UHFFFAOYSA-N 370.455 4.035 0 40 FIAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3cccc(F)c3)ccc2c1 12887055 ABECIHDVNQXGCT-HNNXBMFYSA-N 366.436 4.447 0 40 FIAB CCCCc1ccc([C@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12971303 GLGILRWBXQGNET-IBGZPJMESA-N 364.478 4.125 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12976418 BCNVFGKEKALTHZ-ZTLYHTANSA-N 366.505 4.141 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC[C@@H](c1cccs1)N1CCCC1 13988519 KMYASDYLIWKMTO-FQEVSTJZSA-N 364.514 4.397 0 40 FIAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccccn3)cc2)o1 14304632 OWIUWLJZGYRLKR-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cccc(F)c1 16047593 AXKZUSVUHWDNGY-UHFFFAOYSA-N 352.152 4.435 0 40 FIAB CN1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 16837658 SEKQGDALTRFLCY-UHFFFAOYSA-N 363.895 4.251 0 40 FIAB Cc1ccc([C@H](NC(=O)Cc2ccc3c(c2)C[C@H](C)O3)c2ccncc2)cc1 19136799 MZCKMSJZYIEJRQ-XDHUDOTRSA-N 372.468 4.162 0 40 FIAB Clc1ccc(CN2CCOc3nc4cc5c(cc4cc3C2)OCO5)cc1 19334314 TWGONZSZTFHNOA-UHFFFAOYSA-N 368.820 4.012 0 40 FIAB COc1cc(C)c(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1OC 19567091 BPQORRJGCFANIP-KRWDZBQOSA-N 365.477 4.268 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC(CCN(C)C)CC1 19666098 KGHGQUQIDKKMMK-UHFFFAOYSA-N 359.901 4.001 0 40 FIAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3ccccn3)CC2)n1 19691120 FZMSDTRAGJOBGT-UHFFFAOYSA-N 357.457 4.472 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)N2CCC[C@H]2c2cccs2)c1 22131725 JPHODJXLYOUDLP-INIZCTEOSA-N 374.531 4.092 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccccc1C(F)(F)F 22134352 MPNVFZAXSHQNMD-MRXNPFEDSA-N 355.381 4.135 0 40 FIAB O=C(Cc1coc(-c2ccccc2)n1)Nc1ccccc1Br 27445758 KNZYXTYENRXWQL-UHFFFAOYSA-N 357.207 4.285 0 40 FIAB Cc1ccccc1Nc1nc(-c2cccc(S(=O)(=O)N(C)C)c2)cs1 27663197 JWKAHYOVVMKUDJ-UHFFFAOYSA-N 373.503 4.112 0 40 FIAB CCc1ccc2oc(C(=O)Nc3ccc(Br)cc3)cc(=O)c2c1 27793982 FITJWDRUGJKHGX-UHFFFAOYSA-N 372.218 4.370 0 40 FIAB COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1Cl 27994228 AFKZGGLDQKYBOL-LJQANCHMSA-N 372.896 4.224 0 40 FIAB CCCCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 28228084 ABNNQYXCBCWRLK-UHFFFAOYSA-N 360.479 4.279 0 40 FIAB CCCc1noc(CCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1 30769739 LXFMQBJNMSXWKQ-UHFFFAOYSA-N 371.437 4.025 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1OC 30860527 MIYXWUWWSSCPIX-GJZGRUSLSA-N 359.491 4.203 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)c(OC)c1 32518314 KJIRGDMIINXUQS-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB CC[S@](=O)c1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 32722016 KBNSGNXIMLIBDZ-RUZDIDTESA-N 356.491 4.057 0 40 FIAB CC(C)C(=O)N1CCC(NC(=O)c2cc(C(C)C)cc(C(C)C)c2O)CC1 32914483 PLATUXUMXDEQGY-UHFFFAOYSA-N 374.525 4.016 0 40 FIAB CCCN1CCc2nc(SCc3c(C)cc(C)cc3C)nc(O)c2C1 33287216 ZYVVESYXEQBIAU-UHFFFAOYSA-N 357.523 4.168 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc3c(F)cccc3s2)cc1OC 36622888 QVQDOXOYIWXADO-UHFFFAOYSA-N 359.422 4.330 0 40 FIAB Cc1ccc(-c2csc(-c3nnn(-c4cc(F)ccc4F)c3N)n2)cc1 38486908 UZXCTIOOQQOKAY-UHFFFAOYSA-N 369.400 4.227 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38858305 SUFGWLDYWBHGEP-GOSISDBHSA-N 370.880 4.393 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)N(Cc2ccco2)C2CC2)o1 40132818 NYECYXHYOWYCJY-UHFFFAOYSA-N 367.401 4.265 0 40 FIAB CCOc1ccc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2c1 41095843 JGKZBMNGTJPSPV-UHFFFAOYSA-N 367.470 4.380 0 40 FIAB Cc1cccc(CN2CCC(NC(=O)Nc3cccc4cccnc34)CC2)c1 45743727 RJPMMHZDAXOMNR-UHFFFAOYSA-N 374.488 4.329 0 40 FIAB Fc1ccc(OCc2noc(CN3CCC[C@H]3c3ccsc3)n2)cc1 46089212 FFPVSXMFCIAISC-INIZCTEOSA-N 359.426 4.186 0 40 FIAB Cc1ccc2c(Nc3ccc(F)cc3)c(C(=O)N3CCCC3)cnc2n1 49004534 ANRLBTPUKNPOMW-UHFFFAOYSA-N 350.397 4.057 0 40 FIAB O=C(CC1CCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 49936946 KLZZAEKMKZYMHK-UHFFFAOYSA-N 354.416 4.324 0 40 FIAB CCc1noc(-c2ccc(C)c(NC(=O)[C@@H](C)Oc3cccc(C)c3)c2)n1 75106092 BMFKYOJBKGCAOP-OAHLLOKOSA-N 365.433 4.322 0 40 FIAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1 78483940 SYFXTFGFIRPBBY-UHFFFAOYSA-N 364.445 4.080 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1Cl 78578895 OGALFAOZAQOINI-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB CCCCCN(C(=O)Nc1nc(CC(=O)OCC)cs1)[C@H](C)CCC 78821468 CTRKVAHVOUDJEG-CQSZACIVSA-N 369.531 4.461 0 40 FIAB O=C1CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3C(F)(F)F)ccc2N1 84502153 GVKOVCIVEXWZDX-GJZGRUSLSA-N 374.362 4.332 0 40 FIAB O=c1[nH]c(Cc2cccc3ccccc23)nc2ccc(Br)cc12 84598493 ALKFXMXJRHZMQO-UHFFFAOYSA-N 365.230 4.430 0 40 FIAB Cn1nc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 90610285 WSWQWAGWNZIKNH-UHFFFAOYSA-N 353.731 4.498 0 40 FIAB CC(C)[C@@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 91033654 BNBHTMJFCQJHGX-PKOBYXMFSA-N 371.868 4.153 0 40 FIAB C[C@H](c1ccccn1)N(CC(=O)N1CCCCCC1)Cc1ccccc1 95456004 ALEWDCYGLMZBEM-LJQANCHMSA-N 351.494 4.047 0 40 FIAB N[C@H](c1ccc(Cl)cc1)c1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 95534002 JCECQRFLSKHIGB-CYBMUJFWSA-N 352.747 4.192 0 40 FIAB Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)CC3)o1 96047296 ANOBNEDIBBNVBX-UHFFFAOYSA-N 358.507 4.168 0 40 FIAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1cccc(Cl)c1Cl 101277078 TYOUTIJIGMOUDP-GFCCVEGCSA-N 369.635 4.391 0 40 FIAB Cc1ccc(C)c(C(=O)NCc2ccc([C@H](O)c3ccccc3)s2)c1 207969184 ZRHBORSWPUIHSP-HXUWFJFHSA-N 351.471 4.377 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN(C)c1ccccc1 219617816 NPJGJDROPAWAHQ-IBGZPJMESA-N 360.885 4.140 0 40 FIAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 220810960 WHZWUMCHHNLIKZ-HNNXBMFYSA-N 357.454 4.235 0 40 FIAB COc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1C(C)C 222878665 FIBQCOZEKFVYNB-UHFFFAOYSA-N 369.486 4.450 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222958724 QEQWIBYHKXQGBV-LJQANCHMSA-N 368.477 4.239 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 224340639 BBIWZSIACJTLIS-MRXNPFEDSA-N 373.518 4.324 0 40 FIAB O=C(Cc1cccc(Br)c1)N1CCC(Cc2ccccc2)CC1 225613788 XDEOYLZWPMFNIZ-UHFFFAOYSA-N 372.306 4.473 0 40 FIAB CCOC(=O)c1c(NC(=O)Nc2ccccc2OC)sc2c1CCCC2 225766769 ZTHRUEXHABIPSM-UHFFFAOYSA-N 374.462 4.456 0 40 FIAB Cc1ccc(SCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 225809671 NESZNMUCESMPBN-UHFFFAOYSA-N 369.408 4.301 0 40 FIAB COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cccc(O)c3)C[C@@H]21 227486916 HXNLCIWLBFJBPL-UGKGYDQZSA-N 373.412 4.038 0 40 FIAB c1ccc(CN2[C@H]3CC[C@H]2c2cnc4cc(-c5ccco5)nn4c2C3)cc1 248101387 JXNHBDYPLYRYKG-LPHOPBHVSA-N 356.429 4.251 0 40 FIAB Cc1cncc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257201237 AGVNPFKLSMTOLM-IBGZPJMESA-N 363.417 4.080 0 40 FIAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@]3(CCCOC3)C2)cc1 585082143 NPURLBZHTIPSKD-JOCHJYFZSA-N 350.462 4.381 0 40 FIAB CC(C)c1[nH]c2cc(I)ccc2c(=O)c1C(C)C 685938535 NEUAMWSGDKAKPM-UHFFFAOYSA-N 355.219 4.380 0 40 FIAB CCOc1ccc(NC(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc1 1775971869 WDMNSEJVOPGINH-QGZVFWFLSA-N 369.465 4.112 0 40 FIAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C[C@@H]1OCC1CC1 2332242640 DZGUOBAASKFPNY-BJESRGMDSA-N 365.521 4.070 0 40 FIAB Cc1cccc(C)c1NC(=O)Cn1c(-c2cncs2)nc2ccccc21 794835 YDHAMDGPIVGWAF-UHFFFAOYSA-N 362.458 4.415 0 40 FIAB COc1ccc(N[C@H]2C[C@H](C)Nc3cc(OC)c(OC)cc32)cc1OC 874278 LBVFUEZLSIEYAH-WFASDCNBSA-N 358.438 4.078 0 40 FIAB CC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1 1083475 WLNDOGSIXYOQJG-UHFFFAOYSA-N 352.228 4.149 0 40 FIAB CCOc1cc(NC(=O)Nc2ccccc2)c(OCC)cc1NC(=O)CC 1324447 BJNHHOSNAOQFEU-UHFFFAOYSA-N 371.437 4.477 0 40 FIAB Cc1cc(C)nc(NCCCCCCCCNc2nc(C)cc(C)n2)n1 1578289 QONSBTAFFDCLRA-UHFFFAOYSA-N 356.518 4.365 0 40 FIAB COc1cccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c1 2122222 WNICISNFGIUFET-UHFFFAOYSA-N 351.402 4.083 0 40 FIAB biogenic CC(C)CCOC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2251195 CFDHCWPUUXROMK-UHFFFAOYSA-N 368.481 4.416 0 40 FIAB Cc1ccc(C)c(N2CCN(c3ncnc4c3[nH]c3cc(C)ccc34)CC2)c1 2423518 KSISVCODJWDTBB-UHFFFAOYSA-N 371.488 4.363 0 40 FIAB Cc1ccccc1-c1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1 2424487 UPTDUIHCOSTNQV-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB O=C(Cc1ccc(Br)cc1)Nc1nc2ccc(F)cc2s1 2629219 OPCIRPQPJFXWIK-UHFFFAOYSA-N 365.227 4.379 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1C 2652300 QSQNBAAGFBIXCO-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 3297975 NJDNLZJTUMLZTF-LLVKDONJSA-N 352.217 4.028 0 40 FIAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccccc1F 3449823 REJJLFOMTAELMV-UHFFFAOYSA-N 363.845 4.479 0 40 FIAB Cc1cccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3ccccc32)c1 4140019 HPSFYNDNYDCECG-UHFFFAOYSA-N 360.335 4.333 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(OCC)cc1 4162595 OMBGUGTXXIOHPS-UHFFFAOYSA-N 353.374 4.261 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)o1 4890828 GQOXHBLLBGBBEE-CQSZACIVSA-N 371.824 4.311 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)C3=Cc4ccccc4OC3)s2)cc1 5034341 REEDPGPDQCDOCF-UHFFFAOYSA-N 362.454 4.457 0 40 FIAB CC(C)(C)c1cc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)on1 5165361 YGKAEZIFMBLJJR-UHFFFAOYSA-N 364.858 4.233 0 40 FIAB O=C(O)CS[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 5253693 VIZPLPQXAWOQAQ-HNNXBMFYSA-N 370.257 4.491 0 40 FIAB COc1ccc(OCc2nnc(-c3ccc(Br)cc3)o2)cc1 5442500 CDPUUQGCKMVFDE-UHFFFAOYSA-N 361.195 4.087 0 40 FIAB COc1ccccc1CNC(=O)CSc1cc(Cl)ccc1Cl 5460140 NMLFOSGSUZDCEB-UHFFFAOYSA-N 356.274 4.411 0 40 FIAB Cc1cc2oc(=O)c3c(c2cc1O[C@@H](C(=O)O)c1ccccc1)CCCC3 5547283 INPPUXJUZFZFKM-HXUWFJFHSA-N 364.397 4.185 0 40 FIAB CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccccc2C(C)C)s1 5561502 VFELLVMFMZVGAF-UHFFFAOYSA-N 360.483 4.142 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6219605 HACPONYOUZQYBB-NSHDSACASA-N 360.385 4.494 0 40 FIAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(C)c2)cc1 6629875 FATJRBLNCUBTLG-UHFFFAOYSA-N 369.534 4.272 0 40 FIAB CN(C)c1cccc(-c2nn3c(CSc4ccccc4)nnc3s2)c1 6673059 INLZPTJIKFELCJ-UHFFFAOYSA-N 367.503 4.211 0 40 FIAB C[C@H](c1nc(O)c2ccccc2n1)N(C)CCOc1ccc(Cl)cc1 6908571 XGIAWOBGAUDYKE-CYBMUJFWSA-N 357.841 4.061 0 40 FIAB Cc1occc1-c1nnc(SCc2cc(Cl)cc3c2OCOC3)o1 7194992 FFYJCDGBWGVNFV-UHFFFAOYSA-N 364.810 4.450 0 40 FIAB CCOCc1c(C(=O)N[C@@H]2CCOc3ccccc32)oc2ccccc12 7217946 WDOGBYARMBZXMK-QGZVFWFLSA-N 351.402 4.223 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1ccc(N2CCCC2)cc1 7383220 RTDLKHCPYDZBCV-UHFFFAOYSA-N 363.230 4.441 0 40 FIAB O=C(/C=C/c1cccc(Br)c1)Oc1ccc2ccc(=O)oc2c1 7802561 MZUGLBYYHMBJPP-XBXARRHUSA-N 371.186 4.174 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N(CCc1ccccc1)Cc1cccs1 8036914 QYDYDIVEGALMOI-UHFFFAOYSA-N 365.454 4.362 0 40 FIAB COC(=O)c1cc(NC(=O)/C=C/c2ccccc2Cl)ccc1Cl 8092177 AVUWYDLJHDOWSF-RMKNXTFCSA-N 350.201 4.432 0 40 FIAB c1ccc(Cn2cc(CNCCc3ccccn3)c(-c3ccccc3)n2)cc1 8194401 DOCRXKINSNEELA-UHFFFAOYSA-N 368.484 4.326 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 8471449 MEYWWCSEYKCLBN-UHFFFAOYSA-N 358.441 4.439 0 40 FIAB CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2OC(F)F)c1 9112376 CTNUXGVJCPRPLZ-UHFFFAOYSA-N 350.321 4.109 0 40 FIAB CSc1ncc(C(=O)Nc2cccc3ncccc23)n1-c1ccccc1 9549903 GALNWYCXLACUII-UHFFFAOYSA-N 360.442 4.395 0 40 FIAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(=O)c2ccccc2)CC1 9988343 CELMBQZMJDNNHO-PKNBQFBNSA-N 363.457 4.138 0 40 FIAB COc1ccc2nc(-c3cccc(NC(=O)c4cc(C)cc(C)c4)c3)cn2n1 11693396 IJEGQMQFKHMGMT-UHFFFAOYSA-N 372.428 4.274 0 40 FIAB C[C@H](NC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21)c1ccncc1 12144006 PZALTMCCGVYGJN-HNNXBMFYSA-N 374.419 4.115 0 40 FIAB COc1cc(OC)c(OC)cc1CN1CCCCC[C@@H]1c1cc(C)on1 12185854 ZZELSHPJBPILIR-QGZVFWFLSA-N 360.454 4.126 0 40 FIAB COc1ccccc1-c1nnc2sc(-c3ccc4ccccc4n3)nn12 12322870 PLRWXBZTIJZBKY-UHFFFAOYSA-N 359.414 4.077 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1 12548411 VZESYPKAPHVSGW-UHFFFAOYSA-N 361.410 4.450 0 40 FIAB CCOc1ccc2nc(SCC(=O)N3c4ccccc4C[C@@H]3C)[nH]c2c1 12548794 HUDHBWCKNDMFQA-ZDUSSCGKSA-N 367.474 4.032 0 40 FIAB O=S(=O)(NCCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl 13938050 JETYLMQFRMBTAZ-UHFFFAOYSA-N 364.681 4.168 0 40 FIAB O=c1c2ccccc2ncn1Cc1csc(-c2ccccc2Cl)n1 14137654 KJZQFHYBWLGGSQ-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB Cc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c(C)n1C1CC1 16695196 AYDIJORQEHTUKE-UHFFFAOYSA-N 354.450 4.038 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3Cl)[nH]c2c1 16765200 ZCUJFLYUMMSDBS-JTQLQIEISA-N 361.854 4.344 0 40 FIAB CCOc1ccc(N2CCn3c(SCc4cccc(F)c4)nnc32)cc1 17307794 XJAADNHSGVKUEC-UHFFFAOYSA-N 370.453 4.260 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)c2cccc(F)c2)c1C 19557888 YTTUUVJVBXWPHL-QGZVFWFLSA-N 368.412 4.188 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20038549 DTWAQLSPYNPCHT-MRXNPFEDSA-N 366.461 4.343 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3)n2)c1 21168599 OYLCOZLJXILNMV-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB Cc1cc(NC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)no1 21835713 ATSDMNWQYBNGMQ-KRWDZBQOSA-N 360.417 4.418 0 40 FIAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)[C@@H]1Cc2ccccc2O1 23080140 JMXZZWDZUOAACY-HNNXBMFYSA-N 371.742 4.223 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 24181951 FQBWPNJHFQFFTP-IBGZPJMESA-N 366.505 4.065 0 40 FIAB O=C(c1cnc2ccccc2n1)N1CCCc2cc(C(F)(F)F)ccc21 24470711 HHLQPYOOQQWHAW-UHFFFAOYSA-N 357.335 4.242 0 40 FIAB CC(=O)c1ccccc1NCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 30291490 RRQQCLMNYGOTTO-NSHDSACASA-N 365.260 4.485 0 40 FIAB CC(C)C(=O)Nc1ccc(CNc2nn3cc(C(C)(C)C)nc3s2)cc1 32908995 BQJMRGKFJKEXOI-UHFFFAOYSA-N 371.510 4.295 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccco1 33019733 XHZMCFQOZDAAKH-LBPRGKRZSA-N 355.912 4.463 0 40 FIAB CCOCc1ccccc1CNC(=O)Nc1ccccc1N1CCCC1 40103760 JUGIIJBSTXGFFH-UHFFFAOYSA-N 353.466 4.145 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H](Oc1ccccc1)c1ccccc1 40131098 VEEYVAIZGGJMKK-IRLDBZIGSA-N 359.425 4.447 0 40 FIAB O=C(NCc1ccc(F)cc1Cl)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478418 GXOFNFVBWIMYCH-UHFFFAOYSA-N 364.207 4.453 0 40 FIAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)c(C)cc1C 41096777 HPOYQJGAILZZDV-CYBMUJFWSA-N 360.317 4.019 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc(Cl)c(C(N)=O)c1 44806508 HHPXTKBAABHULE-OLZOCXBDSA-N 373.884 4.392 0 40 FIAB Cc1nc2ccc(C(=O)Nc3ccc(Oc4cnccn4)cc3)cc2nc1C 46721925 LCWCRHQPUHKJKO-UHFFFAOYSA-N 371.400 4.081 0 40 FIAB Cc1noc(C(C)C)c1C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 57369239 IEVGLXGVXXBRHD-HNNXBMFYSA-N 358.438 4.307 0 40 FIAB Fc1ccc(COc2ccc(CSc3nc4ncccn4n3)cc2)cc1 58344475 YIEDJUCEADRPSE-UHFFFAOYSA-N 366.421 4.135 0 40 FIAB CCCn1c(=O)n(Cc2csc(-c3ccc(C)o3)n2)c2ccccc21 65498228 FGFSPRFEZVNUQE-UHFFFAOYSA-N 353.447 4.286 0 40 FIAB COCCn1ccc2c(NC(=O)Cn3ccc4c(C)cccc43)cccc21 70666622 UNBIXFQRDKOFDK-UHFFFAOYSA-N 361.445 4.190 0 40 FIAB biogenic O=C1CCN(C(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2N1 72288078 YVMJGSKDSQMAQD-UHFFFAOYSA-N 372.424 4.255 0 40 FIAB Cc1nc(CCC(=O)OC2CCC2)oc1-c1ccc(Br)cc1 72310760 UPNIUYSFNJCNTA-UHFFFAOYSA-N 364.239 4.441 0 40 FIAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc2cc[nH]c2c1 72403131 BCSMCHHPLJVDRW-UHFFFAOYSA-N 350.809 4.474 0 40 FIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccccc2Br)C1 72404419 WBRBJFPLMRZFMM-ZDUSSCGKSA-N 372.222 4.411 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2OC(F)(F)F)nn1-c1ccccc1 78802952 QFSURWYUPLQRNP-UHFFFAOYSA-N 361.323 4.332 0 40 FIAB Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1Br 95460849 GMCJMHVBVIJHFJ-OAHLLOKOSA-N 363.259 4.240 0 40 FIAB CN(Cc1cccnc1)Cc1ccc(OC(F)F)c(Br)c1 96003573 SSCXJSOUWYAHRS-UHFFFAOYSA-N 357.198 4.078 0 40 FIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 100664028 HZLMGZJTPOTYLZ-VXAPCQRLSA-N 371.436 4.345 0 40 FIAB C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106071776 QBLHKHKWMUHZOG-YRBFXIGRSA-N 367.449 4.478 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 115132171 MREJDOYMAVOSQZ-MRXNPFEDSA-N 370.518 4.395 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2cccc(C)c2)c1 216398258 YUXLKJAIHYTWLL-IBGZPJMESA-N 355.434 4.276 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC(C)(C)C 223402899 IBIPMUVPZNYOOD-INIZCTEOSA-N 352.906 4.162 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 224810699 OVKRBJJYOXGYJF-UHFFFAOYSA-N 354.450 4.032 0 40 FIAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 224981478 PBZFIPQRPOELGT-UHFFFAOYSA-N 370.518 4.012 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2cccc(C)c2)cc1Cl 225427908 RSBZSVVFAJWWBD-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB COc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c(C)c1 408819605 XZLASLWXVBPZHD-UHFFFAOYSA-N 369.466 4.084 0 40 FIAB O=C(NCc1nccnc1-c1ccoc1)c1ccc(-c2cccs2)cc1 575621359 VTDPDVJGGIZSBO-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB CC(C)c1ccc(C2(O)CCC(N[C@@H](c3nccn3C)C3CC3)CC2)cc1 585081869 SVIWOUPSLMIEIH-WQMHRJNTSA-N 367.537 4.415 0 40 FIAB C[C@@H]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@@H](c2ccco2)C1 676164104 AAMFVWLLWQQFFS-CXAGYDPISA-N 352.434 4.123 0 40 FIAB O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cc(C2CC2)nc2ccccc12 683505375 SQBUJKNAOHCSFB-KRWDZBQOSA-N 358.441 4.105 0 40 FIAB Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CCC4)cc1C 1244992 DDPBRBGWSNFVGT-UHFFFAOYSA-N 365.458 4.267 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1c(C(F)(F)F)nc2ccccc21 1399288 GUORXQIHQDVKED-VIFPVBQESA-N 368.746 4.303 0 40 FIAB CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 2323682 FXKXUJCVYXYFIK-UHFFFAOYSA-N 351.475 4.080 0 40 FIAB CCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 2650434 RCMMBYSOUZBRGF-HXUWFJFHSA-N 374.440 4.048 0 40 FIAB O=C(COc1ncnc2sccc12)Nc1ccccc1-c1ccccc1 2663984 GTDBFURHAYXUPP-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB CC(=O)Nc1ccccc1SCC(=O)c1ccc(Br)cc1 3075242 JGNAPTDJWNKWMY-UHFFFAOYSA-N 364.264 4.383 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(NCc2ccccc2)s1 3330023 OTSCXROHCPFMKY-UHFFFAOYSA-N 371.487 4.134 0 40 FIAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccncc1 4059464 ZQSFWGLNEMEANR-GOSISDBHSA-N 368.893 4.339 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 4276092 UJGQHIABKLXOPH-UHFFFAOYSA-N 351.406 4.295 0 40 FIAB CCCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)OC)c1=O 5010742 RFENHQZZIZKTFH-UHFFFAOYSA-N 362.429 4.164 0 40 FIAB CNC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc(C)c1C 5145008 PNGJPQXISVXZRZ-UHFFFAOYSA-N 363.291 4.345 0 40 FIAB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 5263308 VLZLNFUPOUGHGN-UHFFFAOYSA-N 351.475 4.156 0 40 FIAB CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)OC)c(C)c2oc1=O 5548089 WEHRLTYEQAOXLC-HNNXBMFYSA-N 360.450 4.473 0 40 FIAB CCOc1c(Br)cc(C(=O)Nc2cccc(F)c2)cc1OC 5560129 LZUAJFINXGURJF-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc(C)c1C 6534600 NDKMKKXUNISEQY-UHFFFAOYSA-N 370.522 4.123 0 40 FIAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(CN3CCCC3)cc2)c1 6595486 FILCRVAOVAQZCA-UHFFFAOYSA-N 368.477 4.332 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](NCc1ccco1)c1ccccc1 6638980 CSHXLKZJDZUMHS-HXUWFJFHSA-N 350.418 4.148 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 6845048 JNLFPRGKQFOBIC-UHFFFAOYSA-N 361.879 4.385 0 40 FIAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nncs1 6847080 APFXVCLQKRHXMF-UHFFFAOYSA-N 354.453 4.361 0 40 FIAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1Br 7306132 ISJWXIGZCCKUNI-YLSINNKHSA-N 366.280 4.100 0 40 FIAB c1csc(-c2nnc(SCc3cn4ccccc4n3)n2C2CC2)c1 7674197 KZDBSHVKTWFCIY-UHFFFAOYSA-N 353.476 4.282 0 40 FIAB CCS(=O)(=O)N1CCc2cc(-c3csc(-c4ccccc4)n3)ccc21 7990583 NMOGXOBMXYENEB-UHFFFAOYSA-N 370.499 4.189 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(C)C 8050804 QGYBQJYLKXUGQH-MRXNPFEDSA-N 361.507 4.118 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 8117218 CGTIXNUQBDSMME-UHFFFAOYSA-N 372.852 4.028 0 40 FIAB O=C(NCCCn1cnc2ccccc21)c1cc(C2CC2)nc2ccccc12 8174562 WJHJBLLBDZGEIP-UHFFFAOYSA-N 370.456 4.282 0 40 FIAB O=c1[nH]c(CN2CCc3sccc3[C@@H]2c2ccccc2)nc2ccccc12 8216187 URDMBSKPDZSVAY-NRFANRHFSA-N 373.481 4.132 0 40 FIAB Cc1nsc(N)c1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1 8544467 IZEBASHUVQCZBH-UHFFFAOYSA-N 365.867 4.168 0 40 FIAB Cc1cccc(CN2CCC(C(=O)NCCSC3CCCCC3)CC2)c1 9063028 OHUTVVRQXKECBV-UHFFFAOYSA-N 374.594 4.389 0 40 FIAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(OC(F)(F)F)cc1 9494215 XADLJKBAVDIOPE-UHFFFAOYSA-N 367.352 4.144 0 40 FIAB CCN(c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1)S(C)(=O)=O 10008611 BPWWJNYXOUNWQY-UHFFFAOYSA-N 374.506 4.157 0 40 FIAB O=S(=O)(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1 10120086 PPEGANWYJRLCNS-UHFFFAOYSA-N 364.426 4.219 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2nc3ccc(Cl)cc3s2)cc1 10388993 GLOPCSDVTXVSEM-SNVBAGLBSA-N 362.838 4.364 0 40 FIAB COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccccc1OC 11858509 JHIRRIXKEXCWSJ-BQYQJAHWSA-N 361.397 4.488 0 40 FIAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12220095 ZFVVCJISEVZKFN-UHFFFAOYSA-N 369.490 4.094 0 40 FIAB COc1ccc2[nH]c(CN3CCC(O)(c4ccc(C)cc4)CC3)c(C)c2c1 12292926 HOPXCRGIKVYBBH-UHFFFAOYSA-N 364.489 4.277 0 40 FIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc(Br)c1 12809269 FGEABUIBFIKQNE-UHFFFAOYSA-N 354.207 4.158 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccccc1Cl 12912543 XKVIDCFFDSCBNC-LBPRGKRZSA-N 357.866 4.278 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12934273 QKEREOVGLMAONZ-UHFFFAOYSA-N 363.373 4.442 0 40 FIAB Cc1nc(COc2ccc(/C=C/C(=O)N3CCC[C@@H](C)C3)cc2)cs1 12975358 CEDXCJOUAIZCPB-JOZWUWCOSA-N 356.491 4.302 0 40 FIAB Cc1cc(OCCCC(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 13039230 WYEADFODNZWTIV-UHFFFAOYSA-N 372.896 4.156 0 40 FIAB C[C@](CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(=O)O)c1ccccc1 13250081 OMEBGDVRDFRTFO-QGZVFWFLSA-N 352.217 4.365 0 40 FIAB CCOc1ccc2cc(CNc3ccc(N4CCCC4)cc3)c(=O)[nH]c2c1 13561404 WJZJQECJVFUCCY-UHFFFAOYSA-N 363.461 4.139 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1C 13646757 WOSZWSBBRMKXCA-UHFFFAOYSA-N 366.461 4.020 0 40 FIAB CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 13717306 XJHMRJAAANTWKE-UHFFFAOYSA-N 362.832 4.189 0 40 FIAB COc1cc2s/c(=N\C(=O)c3ccc(Cl)cc3)[nH]c2c2cccnc12 13722784 QKGGGSDOQYIHLM-UHFFFAOYSA-N 369.833 4.181 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 13995926 GZZIRSWQLDEOHC-IBGZPJMESA-N 366.461 4.027 0 40 FIAB Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c1CCC2 14137254 FOQZMLKZWQYQJP-UHFFFAOYSA-N 367.396 4.023 0 40 FIAB CSc1ccc(S(=O)(=O)Nc2ccc(Cc3ccccn3)cc2)cc1 15109065 MPUWGNJFLUZASU-UHFFFAOYSA-N 370.499 4.195 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 15180335 XTSUUPHHAFXPHA-LLVKDONJSA-N 356.809 4.140 0 40 FIAB Cc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1C 17052883 SJKIIXQXYADNHI-UHFFFAOYSA-N 361.445 4.068 0 40 FIAB COc1ccccc1OC(=O)c1csc(COc2ccc(C)cc2)n1 18185566 OETOUIMEUJIDFW-UHFFFAOYSA-N 355.415 4.258 0 40 FIAB C[C@@H](Oc1ccccc1F)C(=O)NCCc1nc(-c2ccccc2)cs1 19080205 XKMLNSVIIYNCNW-CQSZACIVSA-N 370.449 4.075 0 40 FIAB CCCn1nc(C)c(-c2cncn2CCOc2ccc(C)cc2C)c1C 19654640 KWNVQTZOEKNSEL-UHFFFAOYSA-N 352.482 4.469 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)cc1 19717787 JDXIQQGALIJRAZ-FQEVSTJZSA-N 363.461 4.258 0 40 FIAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc3C2)cc1 19720100 SISAAQVJJIYWIY-QTGUNEKASA-N 360.501 4.163 0 40 FIAB CCOc1ccccc1CNC(=O)CSCc1c(F)cccc1Cl 20049596 KFXOMGDKAIGTIF-UHFFFAOYSA-N 367.873 4.427 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCCCc1ccc(OC(C)C)cc1 20493474 ZAKFQBWSVLRRMD-GOSISDBHSA-N 355.478 4.299 0 40 FIAB COc1ccc2cc(CN[C@@H](C)c3ccc(-n4cncn4)cc3)ccc2c1 25364800 NWJYQSVCCNZCRJ-INIZCTEOSA-N 358.445 4.280 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 30853118 UICGAEXCDNXSFJ-MRXNPFEDSA-N 361.825 4.231 0 40 FIAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1ccc(F)cc1 32611732 ALHDOAAKVQPFCH-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB CCOc1ccc(-c2noc(-c3sc4nc(C)nc(C)c4c3N)n2)cc1 32931810 HBFLVTBGSAYLNC-UHFFFAOYSA-N 367.434 4.006 0 40 FIAB O=C(Cc1csc(COc2ccccc2)n1)NCc1ccc(Cl)cc1 33326154 YJRNVLQUCNGEKW-UHFFFAOYSA-N 372.877 4.234 0 40 FIAB CC(C)CN(CC(C)C)c1nc(-c2cnn(C)c2)cc(C(F)(F)F)n1 36618673 YNOMNAAIUKQTCW-UHFFFAOYSA-N 355.408 4.014 0 40 FIAB Cc1nc2cc(N[C@H](C)C(=O)N[C@H](C)CCc3ccccc3)ccc2o1 39975598 NDJMQYBJHXFGQS-HUUCEWRRSA-N 351.450 4.074 0 40 FIAB CC(=O)Nc1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 41725422 INANKHNMLVVAQX-UHFFFAOYSA-N 367.396 4.150 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)c(Cl)c1 44883816 JSFVOOSOEZWMRF-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@H](c1cccc(F)c1)SCC(O)=N2 44919175 WQYMPFOMPOVRLO-KRWDZBQOSA-N 354.410 4.139 0 40 FIAB COC(=O)Nc1ccc(CNC(=O)c2cc(Cl)ccc2Cl)cc1 53595011 WKJDXLJZFJEBPQ-UHFFFAOYSA-N 353.205 4.102 0 40 FIAB Nc1ccc2oc(-c3ccc(I)c(Cl)c3)nc2c1 57351558 XIEQZVWACZXXIS-UHFFFAOYSA-N 370.577 4.335 0 40 FIAB CCOC1CCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)CC1 58216886 TXQDOFYLVRXXKQ-UHFFFAOYSA-N 358.507 4.376 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)cc1OC 58216933 BDTKRCWCFNDNSQ-NSHDSACASA-N 374.418 4.019 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)N(Cc1ccccc1)C1CCCCC1 59278649 CERWOZPKQBHQNY-UHFFFAOYSA-N 366.461 4.460 0 40 FIAB O=C(CCc1nc(-c2cccnc2)no1)Nc1cc(Cl)cc(Cl)c1 64799566 BMLCJROJPCLSLL-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB Cc1cc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)c(C)c1 67206841 VAOYJCSPVGPUHA-UHFFFAOYSA-N 366.848 4.372 0 40 FIAB CN(C(=O)c1cc(Br)ccc1Br)c1ccccc1 68741434 RHJTVQOVUMNBGR-UHFFFAOYSA-N 369.056 4.488 0 40 FIAB Cc1ccc2[nH]c3c(SCC(=O)N(C)C4CCCCC4)ncnc3c2c1 72331962 IIGRUYRMGKHFMC-UHFFFAOYSA-N 368.506 4.303 0 40 FIAB Fc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333539 SDEFTRFEFFOFPN-UHFFFAOYSA-N 354.454 4.460 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(C(F)(F)F)n2)c1 96013103 URGRMOYQHNZYNN-SNVBAGLBSA-N 369.343 4.000 0 40 FIAB O=C(NCc1ccccc1-c1ccsc1)Nc1ccc2c(c1)OCO2 96122953 INBALYUGSNFCQS-UHFFFAOYSA-N 352.415 4.466 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2-c2ccsc2)c1 96122959 LNAWHVHVPPTMLN-UHFFFAOYSA-N 371.483 4.096 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102233950 CHITUUTUOMFTAP-KYEXWDHISA-N 360.523 4.127 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1Cl 219055590 SPDFGIJPMXLFKI-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219502892 FVEYCJNUVUKWKP-DOTOQJQBSA-N 369.461 4.190 0 40 FIAB CCOc1ccc(CNC(=O)c2ccccc2OC(C)C)cc1OCC 219737972 BNCSEGMJWHSVPW-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 224015999 UGYWJNLKIOAWDN-UHFFFAOYSA-N 361.869 4.148 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)[nH]1 224416304 ZKGMQCDTPKXONO-QZTJIDSGSA-N 352.438 4.034 0 40 FIAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(OC)cc1 224603243 QZOJQYVAYONMKG-UHFFFAOYSA-N 371.477 4.449 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 225476757 IICCVYZLOWTWOC-KRWDZBQOSA-N 367.367 4.188 0 40 FIAB Cc1ccc(OCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225562359 RLLVJMQXPYOCNZ-UHFFFAOYSA-N 354.397 4.379 0 40 FIAB Cc1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C 225782247 AIOVTJMAAGNPJJ-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB COc1ccc(CCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1C 225791651 GIPVOBILDDXCJK-UHFFFAOYSA-N 367.474 4.402 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225821834 XVSZGIKPPJYRNN-FQEVSTJZSA-N 365.470 4.184 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccccc1-c1ccc(C(=O)O)o1 226350348 DWRQZFBKUXNTKL-UHFFFAOYSA-N 360.435 4.038 0 40 FIAB c1csc(-c2ccc3nc([C@H]4CCCN(Cc5ccoc5)C4)nn3c2)c1 306137420 QVXAZCFMWMRMMO-KRWDZBQOSA-N 364.474 4.430 0 40 FIAB Cc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccc(F)cc1 408614723 GVPPLXHMWILJAR-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB O=C(COc1ccccc1)NCCSCc1c(Cl)cccc1Cl 409027118 ABPSEPJTHSKAKF-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CCc1s/c(=N\C(=O)c2cccc(C)c2)n(C)c1-c1ccc(OC)cc1 409203601 YDEOTAWJLIPTJG-DQRAZIAOSA-N 366.486 4.374 0 40 FIAB C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)N=c1cc[nH]cc1 504150431 XVQRYYXZVBQHJH-VGOFRKELSA-N 357.457 4.114 0 40 FIAB CC(=O)N[C@H](c1nc(-c2ccc(C)c(N3CCCC3)c2)no1)C1CCCC1 582718308 GETQYMVISPRCCR-IBGZPJMESA-N 368.481 4.013 0 40 FIAB O=C(NC[C@H]1C[C@@H]1c1cccc(F)c1)c1cc(-c2ccc(F)cc2)on1 1775977283 SMDGHEVKTIZGDD-RHSMWYFYSA-N 354.356 4.153 0 40 FIAB CC(C)c1nc2ccccc2n1C1CN(C(=O)Nc2ccc(F)cc2)C1 1888962730 KJNOWFVKOSRWDI-UHFFFAOYSA-N 352.413 4.388 0 40 FIAB COc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC 822626 KSDNDVAZEXKIMZ-SFQUDFHCSA-N 365.429 4.346 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COc1ccc(Br)cc1 822924 HNOKHTWWZDKXFN-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB Nc1nc(SCc2ccc3c(c2)OCO3)nc2sc3c(c12)CCCC3 916002 NJZJTZWWSOROAH-UHFFFAOYSA-N 371.487 4.173 0 40 FIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1(C)C 1427357 UWCMSFXIYASZKA-HKUYNNGSSA-N 354.494 4.490 0 40 FIAB O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 3109684 VEIZBDWYVNVAST-CQSZACIVSA-N 361.631 4.364 0 40 FIAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C 3420905 CPYKUCFOSMJJCB-CQSZACIVSA-N 374.506 4.246 0 40 FIAB Nc1c(C=O)cc(C=O)c2nc(-c3ccccc3)c(-c3ccccc3)nc12 3845545 REMBNSSHYAZHRS-UHFFFAOYSA-N 353.381 4.171 0 40 FIAB biogenic Brc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 4061320 WFVWWRNDJBUIPZ-UHFFFAOYSA-N 374.307 4.385 0 40 FIAB CCOC(=O)c1sc2nc(NC(=O)c3cccs3)sc2c1C 4088255 GHQIAXYBGNZVAR-UHFFFAOYSA-N 352.462 4.157 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1 4201687 NRRJXXHETJEFHE-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB COc1cccc2cc(-c3cc(=O)oc4ccc(OCC(C)=O)cc34)oc12 4586266 HHBYOCHHRWGTSU-UHFFFAOYSA-N 364.353 4.183 0 40 FIAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc12 4743720 RFAHXYBNZIKQLE-UHFFFAOYSA-N 353.418 4.101 0 40 FIAB biogenic Cc1c(C)n(Cc2ccco2)c2ncnc(Nc3ccc4c(c3)OCO4)c12 4934818 BYFVIUOTFYRYLC-UHFFFAOYSA-N 362.389 4.162 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3)o2)cc1 5013739 VLKQRTYIDANHTN-UHFFFAOYSA-N 350.374 4.069 0 40 FIAB CC(C)COC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 5030394 WMMLBVSFASMNRE-UHFFFAOYSA-N 374.444 4.028 0 40 FIAB CCOc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 5043642 KZRZICWCOOMITB-KRWDZBQOSA-N 350.374 4.263 0 40 FIAB O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)s1 6238645 OLFHWIKZBYFSJF-UHFFFAOYSA-N 364.879 4.188 0 40 FIAB CCc1nnc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)s1 7063267 NOJDPKODJMCTOZ-UHFFFAOYSA-N 364.883 4.059 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)C1(c2ccccc2)CC1 7113810 KWNDSAZEDDTTGI-UHFFFAOYSA-N 354.793 4.165 0 40 FIAB C[C@H](NC(=O)COc1ccccc1Br)c1cc2ccccc2o1 7400049 OCBKEKZJZBKWPW-LBPRGKRZSA-N 374.234 4.452 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1c[nH]c2ccccc12 7651004 GHZXCBLLRUMHND-UHFFFAOYSA-N 362.212 4.443 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)c(C)c2)n1 8476991 RPQZOKPBSSOWEW-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(C)c1 8479330 PTEPSMKHUQQPMM-MRXNPFEDSA-N 368.477 4.238 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(C(F)(F)F)cc1 8776446 LKAYONSGDFOJEV-UHFFFAOYSA-N 360.379 4.478 0 40 FIAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 8844980 GNRURCFZDDRNOS-KRWDZBQOSA-N 365.452 4.340 0 40 FIAB O=C(COc1cccc(F)c1)Nc1c(-c2ccccc2)nc2sccn12 9417241 MTFFKYPIHLHZAZ-UHFFFAOYSA-N 367.405 4.219 0 40 FIAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccncc3)ccc2o1 9821968 BVSJDVBSQBXAOF-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB biogenic C[C@H](NC(=O)CCCCC(=O)N[C@H](C)c1ccccc1)c1ccccc1 12401928 XDJKYKRUABZEIO-HDICACEKSA-N 352.478 4.302 0 40 FIAB Cc1cccc(OCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1C 12773963 ZRAPVNCJAXBKGI-UHFFFAOYSA-N 367.489 4.259 0 40 FIAB COc1ccc(C)cc1NC(=O)COc1cccc(Oc2ccccn2)c1 12785203 FEWCTHYDHPRYKL-UHFFFAOYSA-N 364.401 4.208 0 40 FIAB CSc1ccc(CN(C)Cn2nc(-c3ccccc3)[nH]c2=S)cc1 12971870 ATMMRPLQOLZYKV-UHFFFAOYSA-N 356.520 4.419 0 40 FIAB O=C(O)CCCCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 12998806 OHLXLUJYHYSLLZ-UHFFFAOYSA-N 351.874 4.303 0 40 FIAB CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13131429 ARYOBPOTXHSXCA-HOTGVXAUSA-N 369.856 4.059 0 40 FIAB COc1ccccc1[C@H](CC(=O)N1CCN(c2ccccc2)CC1)C(C)C 13720698 GNJVGNSCVUZMMA-OAQYLSRUSA-N 366.505 4.174 0 40 FIAB C[C@@H](NC(=O)c1cc2c(s1)CCCCC2)c1ccc(-n2cncn2)cc1 13987230 CICQWRIXCZYNFG-CQSZACIVSA-N 366.490 4.089 0 40 FIAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 14219325 HGTIDEOHYOUDSZ-CYBMUJFWSA-N 368.296 4.105 0 40 FIAB Cc1nc(Nc2nc(C)c(C(=O)Nc3ccc(F)cc3)c(C)n2)sc1C 14607519 NPJOABOVQYHCMH-UHFFFAOYSA-N 371.441 4.302 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N[C@H](C)c3cc4ccccc4o3)cc2NC1=O 15040460 JRCWUVJXJIODAQ-NEPJUHHUSA-N 366.442 4.357 0 40 FIAB COc1ccc(-c2nc3cc(NC(=O)C(C)(C)C)ccc3o2)cc1OC 20411969 PJQHHCPBGCPIDJ-UHFFFAOYSA-N 354.406 4.497 0 40 FIAB CC(C)Oc1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1 20490557 OQRCNRSDLRYPEJ-UHFFFAOYSA-N 352.478 4.394 0 40 FIAB CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2cc(OC)ccc21 22235777 ZSVNXZNIIXPXEU-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB Cc1cccc(C)c1/N=c1\scc(-c2ccccc2)n1N1CCOCC1 22761435 KXXMIDRWVMLDSR-DQRAZIAOSA-N 365.502 4.034 0 40 FIAB Ic1ccc(-c2csc(-c3ccncc3)n2)cc1 23623466 CPQUAEDGCLIEAE-UHFFFAOYSA-N 364.211 4.477 0 40 FIAB CCC(=O)Nc1ccc(-c2csc(Cc3cn4ccccc4n3)n2)cc1 24988291 BXYFFQKBJBZQSS-UHFFFAOYSA-N 362.458 4.397 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1nc(-c2ccccc2)oc1C 27397982 VEJAOZMNONXYQM-UHFFFAOYSA-N 363.417 4.042 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 29115906 WHURTVKOAIJJGE-ZVVIPXAPSA-N 355.409 4.155 0 40 FIAB COc1ccc(OC)c(CCC(=O)N2CCC[C@@H]2c2ccc(C)cc2)c1 32754158 YNSNGYCCMNAMQP-HXUWFJFHSA-N 353.462 4.309 0 40 FIAB Cc1[nH]c2c(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)cccc2c1C 32778272 ISMIMGQFSWEQTP-LJQANCHMSA-N 369.896 4.471 0 40 FIAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CC=C(c2ccc(O)cc2)CC1 32907873 RLXNRXHLVFBQTG-INIZCTEOSA-N 373.456 4.057 0 40 FIAB COc1ccc2c(c1)c(/C=C1/OC(=O)c3c1cc(C)[nH]c3=S)cn2C 33338408 PVWNPACZNGVSFT-FRKPEAEDSA-N 352.415 4.221 0 40 FIAB CCOc1cc(Br)c(C(=S)N2CCCC2)cc1OCC 33774727 JZECSWVLCCQPJW-UHFFFAOYSA-N 358.301 4.018 0 40 FIAB CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)c2ccccc2OC)cc1 40120659 NFBFRYVMHOEDKU-CQSZACIVSA-N 371.437 4.489 0 40 FIAB Cc1ccsc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 40159993 JPAZWTJHTGQHHG-ZDUSSCGKSA-N 358.488 4.492 0 40 FIAB COc1ccc(CCNC(=O)CCc2ccc(Cl)cc2Cl)cc1 46569624 VVECVCUHINQUIZ-UHFFFAOYSA-N 352.261 4.294 0 40 FIAB CCc1nc(SCC(=O)Nc2nccs2)c2cc(CC)sc2n1 49545150 LDYLKTFZFDKCEI-UHFFFAOYSA-N 364.521 4.003 0 40 FIAB CCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)Cc1ccco1 57614107 XUXVUUBDVADVNV-UHFFFAOYSA-N 373.888 4.267 0 40 FIAB Cc1ccc(-n2c(S[C@H](C)c3cccnc3)nc3ccccc3c2=O)nc1 57858245 LPJWVCKFEIELNP-OAHLLOKOSA-N 374.469 4.337 0 40 FIAB CN(Cc1cccnc1)C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 58377572 SFNOEVJKFLXSJL-KRWDZBQOSA-N 372.900 4.111 0 40 FIAB Fc1ccc2c(c1)N(Cc1nc(-c3ccc(C(F)(F)F)cc3)no1)CC2 58979866 NAYBENDHDXSXKJ-UHFFFAOYSA-N 363.314 4.457 0 40 FIAB O=C(c1cc2sc3ccccc3c2s1)N1CCN(CC(F)F)CC1 61601237 IFCFVJHAEUDOPY-UHFFFAOYSA-N 366.458 4.139 0 40 FIAB COc1ccc(NC(=S)Nc2cccc(CN3CCCC3)c2)cc1F 71760493 OMFICKGGKPWDIP-UHFFFAOYSA-N 359.470 4.239 0 40 FIAB O=S(=O)(c1ccc(N2CCC[C@H]2c2cccs2)cc1)C(F)(F)F 84437152 ICNHGRPZPPQJAA-ZDUSSCGKSA-N 361.410 4.383 0 40 FIAB COc1ccc2nc(S[C@@H](C(=O)N3CCCC[C@@H]3C)C(C)C)[nH]c2c1 84692144 MALIGIDQISSWST-SUMWQHHRSA-N 361.511 4.089 0 40 FIAB CCN(CCNC(=O)c1oc(-c2ccccc2)nc1C)c1ccccc1C 84774770 AXRVKHGTEDYDKH-UHFFFAOYSA-N 363.461 4.215 0 40 FIAB Cc1nn(C)c2ncc(C(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)cc12 84839364 WFCZIILCAAENOF-DRUFCSCSSA-N 374.488 4.375 0 40 FIAB Cc1nc(CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)oc1C 89558336 HGTFNUHERUNCJK-IRXDYDNUSA-N 363.502 4.045 0 40 FIAB CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)CCC(=O)c1ccc(C)s1 95457864 ALFFADDILFGQSS-DJJJIMSYSA-N 363.454 4.051 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)COc1cccnc1OC(C)(C)C 97059197 MUKHHSJWJYOPHU-UHFFFAOYSA-N 368.886 4.011 0 40 FIAB O=C(c1ccc(CN2CCCC2)cc1)N1CCC(c2cccc(O)c2)CC1 97370421 RMFDFOXIWNVUJK-UHFFFAOYSA-N 364.489 4.008 0 40 FIAB COc1ccc(-c2c(C)nn3c(=O)c(Cl)c(-c4ccccc4)[nH]c23)cc1 101311688 ILXHIFYBKLLMIE-UHFFFAOYSA-N 365.820 4.327 0 40 FIAB CCOc1ccccc1-c1noc(COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)n1 103470371 MOEOQFXWDDOIOL-KKUMJFAQSA-N 356.422 4.005 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(Cc2ccc(Cl)cc2)CC1 107133994 YUPJRMFNSDBRKY-BZSNNMDCSA-N 360.929 4.247 0 40 FIAB CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OC 211503641 TVDUQQDPRCXVCT-BOPFTXTBSA-N 371.414 4.453 0 40 FIAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 219038955 IIFZPDSCHYSKRL-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1 224797271 RBFSJRCUCKBTFT-SNVBAGLBSA-N 371.915 4.346 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2C)cc1Cl 224959528 LDUMJRIRWPRSDX-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB O=C(CSCc1ccccc1)NCc1cccnc1-c1ccsc1 225645095 IPSZEURNGJHWKJ-UHFFFAOYSA-N 354.500 4.360 0 40 FIAB CCCC(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C(C)(C)C)nn32)CC1 257289782 QADVRVISRFKVEQ-WKILWMFISA-N 356.514 4.217 0 40 FIAB Cc1ccccc1OCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260844215 HIZYAXYGKADWGF-SFHVURJKSA-N 366.505 4.036 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc(F)c1 408619699 GYRQKIYKRVNBFU-UHFFFAOYSA-N 373.236 4.268 0 40 FIAB CCOc1ccccc1NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 408713266 QSTYJNJPEGDRPK-UHFFFAOYSA-N 370.836 4.326 0 40 FIAB Cc1ccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)cc1 409163805 YALLEYJSTXPUBE-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB C[C@@H](C(=O)Nc1c(-c2ccccc2)ncn1C)[C@@H]1OCCc2sccc21 585139593 FPFIOLWGALBMFG-ACJLOTCBSA-N 367.474 4.037 0 40 FIAB O=C(NCc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977235 HCJHEVKPMYGDAY-SFHVURJKSA-N 370.449 4.087 0 40 FIAB Cn1c([C@H](O)C2(c3cccnc3)SCCCS2)cc2ccccc21 633536 HSJHPWVNBPKEQJ-SFHVURJKSA-N 356.516 4.330 0 40 FIAB Cc1csc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)n1 1342879 NWKQONYITQZWAI-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB O=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCCC2)CCCCC1 1344898 RYQSONBSWUQHJI-UHFFFAOYSA-N 363.889 4.177 0 40 FIAB COc1ccc(Nc2ccc3nnc(-c4c(F)cccc4Cl)n3n2)cc1 1421280 MECKEVVEATWWRA-UHFFFAOYSA-N 369.787 4.336 0 40 FIAB CC(C)(C)C(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 3041626 TWWFWAXDFSKCSD-UHFFFAOYSA-N 353.249 4.188 0 40 FIAB COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 3314412 FZXGCTXUHRWOBL-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F 3503954 MZRUGPSCTWUQJB-UHFFFAOYSA-N 354.378 4.444 0 40 FIAB CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc1 4113561 AHUCDPRIRXLWBC-KDOFPFPSSA-N 374.481 4.081 0 40 FIAB O=C1OCC[C@H]1Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 4549084 IYRYVIFFMYUXFO-CQSZACIVSA-N 363.870 4.121 0 40 FIAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3F)n2)cc1 5117857 HCXKWKWVBSXMPW-UHFFFAOYSA-N 370.405 4.053 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c1 5269375 RJGCNMLCVQMFGN-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CC(=O)Nc1ccc(OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 5347174 HGCVQQQXBFMHPK-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCC1 6026159 JEVCMPFEMXXWOB-UHFFFAOYSA-N 353.919 4.334 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 6629515 UIPLJACRUPJWBP-LFIBNONCSA-N 355.463 4.244 0 40 FIAB Fc1cccc([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)Nc3nnnn32)c1 6759109 IJTRGPMZGAZHBC-CABCVRRESA-N 364.211 4.265 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)c1cccs1 6779388 ZTTJPNYAWHWECN-ZDUSSCGKSA-N 368.380 4.010 0 40 FIAB Cc1cc(C)c2nc(NC(=O)c3cncc(Br)c3)sc2c1 6903405 NMRKDNNMQMBDRP-UHFFFAOYSA-N 362.252 4.323 0 40 FIAB CC(C)Cn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 7545218 SMPXPBHXBFNDAA-IBGZPJMESA-N 361.489 4.251 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(Cl)c3cccnc23)c1C 8195880 ZEOFJLADKOCFSQ-UHFFFAOYSA-N 356.809 4.297 0 40 FIAB O=C(Cc1cn2ccsc2n1)NCc1ccc(-c2ccc(Cl)cc2)o1 8279976 QWCKBCHHBBKWAZ-UHFFFAOYSA-N 371.849 4.168 0 40 FIAB CCc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 8339338 AFCFNTLXEQTKCS-UHFFFAOYSA-N 374.897 4.479 0 40 FIAB CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(F)cc1 8575377 HXVFWUGAZHSSSX-UHFFFAOYSA-N 352.409 4.108 0 40 FIAB CCC[C@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1 9678673 DTCUVVLRSKSRLU-IBGZPJMESA-N 361.449 4.197 0 40 FIAB CC(C)c1cc(C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n(C)n1 12162238 FNIDLBATDPDDKU-USNOLKROSA-N 351.494 4.246 0 40 FIAB Cc1ccc(-n2nc(C)c(NC(=O)COc3ccc(F)cc3F)c2C)cc1 12552540 FUFCSRPNCBIJSP-UHFFFAOYSA-N 371.387 4.093 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1Cl 12978421 AEVRJKDNFVORAE-UHFFFAOYSA-N 369.852 4.004 0 40 FIAB Oc1ccc(Cl)cc1-c1nnc(S)n1-c1cccc2ncccc12 13571244 CBHRXADWCFETBF-UHFFFAOYSA-N 354.822 4.130 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Br)cn1 13684588 VOZMLKVUVKEGMZ-UHFFFAOYSA-N 374.263 4.149 0 40 FIAB C[C@H]1c2cccc(C(=O)NCc3ccc(CN4CCCC4)cc3)c2O[C@@H]1C 14252464 CROBDJARIVZMTP-IAGOWNOFSA-N 364.489 4.097 0 40 FIAB CCCOc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 15998104 VGPWTNIDZPHZOT-LBPRGKRZSA-N 356.447 4.160 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc12 16354797 OTQMYHYNVMSWEI-UHFFFAOYSA-N 354.837 4.269 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1Br 16780036 QLXQQUTUQHYYGF-QMTHXVAHSA-N 374.344 4.231 0 40 FIAB CCc1[nH]c2ccc(C(=O)N3CCC[C@H](CN(CC)CC)C3)cc2c1C 19521349 LLPCWCKIROKPHE-QGZVFWFLSA-N 355.526 4.233 0 40 FIAB COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)C(C)C)CC3)c2)c1 19691648 QIXRJUXNQRWVAJ-UHFFFAOYSA-N 366.505 4.351 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)ccc1Cl 20452995 UORPIJUAJAADEK-JTQLQIEISA-N 368.216 4.186 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc2cccnc12 21069590 WRUBSUZVJRJKBR-UHFFFAOYSA-N 350.466 4.275 0 40 FIAB COc1ccc(C(C)=O)c(OCc2cc(Br)ccc2OC)c1 22001511 JTGYKYXAWFPVFP-UHFFFAOYSA-N 365.223 4.248 0 40 FIAB COc1ccccc1CN(C)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 23594313 UIEUZHBBIMPXPW-UHFFFAOYSA-N 363.413 4.430 0 40 FIAB Cc1ccc([C@](O)(CCNc2nnc(C)c3ccccc23)C(F)(F)F)o1 25450785 ZYTCDBDNABQFNW-QGZVFWFLSA-N 365.355 4.092 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc4cccnc34)cc2)n1 27970542 SNCQSSJRCLSPEI-UHFFFAOYSA-N 356.429 4.349 0 40 FIAB Cc1cccc(Cn2nccc2NC(=O)c2cccc(OC(F)F)c2)c1 30528368 NVJLDZPWDWJZJV-UHFFFAOYSA-N 357.360 4.094 0 40 FIAB CC(C)C[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccccc1 30755009 CSCQZQPFINRNEK-JOCHJYFZSA-N 366.505 4.036 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1ccc(OC)cc1 30848754 NIONTADNNFXOJS-SFHVURJKSA-N 361.869 4.255 0 40 FIAB COc1cccc(CN(C)C(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)c1OC 31336674 XKPOCWOWLPEPSF-JCECQIOLSA-N 355.434 4.092 0 40 FIAB COc1ccc(-c2noc(-c3sc(NC(=O)CC(C)C)nc3C)n2)cc1 32073173 YHJIJBBOPFIKTL-UHFFFAOYSA-N 372.450 4.162 0 40 FIAB CNC(=O)Nc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1 32818048 DNXAYVPZCPWQSH-UHFFFAOYSA-N 353.422 4.012 0 40 FIAB COc1cc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)c(OC)cc1Cl 32820197 BJPWHQPIROQXQP-QWRGUYRKSA-N 361.825 4.494 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2C)ccc1Br 37375350 XGCPFQXRRFKDBK-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 38755077 LJSMSPYXAHMKBT-LJQANCHMSA-N 371.477 4.265 0 40 FIAB COc1cc(OC)c(NC(=O)N(C)Cc2cccc(F)c2)cc1Cl 40103509 URHDYUFVNLKHHY-UHFFFAOYSA-N 352.793 4.160 0 40 FIAB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccccc2)CC(O)=N3)cc1 40309063 DJSFLULJNZXIFS-MRXNPFEDSA-N 362.385 4.308 0 40 FIAB biogenic COCc1nc(-c2ccc(C)cc2)nc(-c2ccc(Br)cc2)n1 41097421 OXRCYQWFDIHCPP-UHFFFAOYSA-N 370.250 4.423 0 40 FIAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cccc(F)c1 44532495 DURZJCYEMUOIIV-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 44903787 BCVGICKXPSQFLY-FQEVSTJZSA-N 368.521 4.254 0 40 FIAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(OC)c(Br)c1 45889553 AWZXLQUGTWKJAE-UHFFFAOYSA-N 363.255 4.163 0 40 FIAB CCCC(=O)Nc1ccc(CNC(=O)CCn2ccc3ccccc32)cc1 48365020 DLFWFUJVIHCEMI-UHFFFAOYSA-N 363.461 4.086 0 40 FIAB Cc1cc(C)cc(-n2ccc(=O)c(-c3nc(-c4ccc(C)c(C)c4)no3)n2)c1 49006349 IQEDJQHYNIGKBW-UHFFFAOYSA-N 372.428 4.183 0 40 FIAB O=c1[nH]c(Cc2c[nH]c3ccccc23)nc2sc3c(c12)CCCS3 53844555 GCLYTZZFLRMTHX-UHFFFAOYSA-N 353.472 4.095 0 40 FIAB Cn1c(CSc2nc3cc(Cl)ccc3o2)nc2ccccc2c1=O 57880567 SAXKEAOQCIHINF-UHFFFAOYSA-N 357.822 4.020 0 40 FIAB CCOc1ccccc1OC(=O)c1ccc(Cn2nc(C)cc2C)cc1 58157320 ABXITPLABYMUQU-UHFFFAOYSA-N 350.418 4.166 0 40 FIAB COc1ccc(CCNC(=S)Nc2cccc(Cl)c2C)c(OC)c1 63565512 GEBKBMRDKQLNJR-UHFFFAOYSA-N 364.898 4.195 0 40 FIAB Cc1[nH]c2cccc(C(=O)N3CCC([C@H]4CCCCN4C)CC3)c2c1C 72354289 DMKOPSFLGUYRBY-HXUWFJFHSA-N 353.510 4.121 0 40 FIAB O=C(NCc1ccc2ccccc2c1)NC[C@@H]1CCN(c2ccccc2)C1 89845594 SQNXHEWZPRNSAQ-IBGZPJMESA-N 359.473 4.166 0 40 FIAB C[C@H](Cc1ccsc1)NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 92882825 NKYPCYYXSOCLSS-CQSZACIVSA-N 374.506 4.385 0 40 FIAB O=C(Nc1nnc(CCOc2ccc(Cl)cc2)s1)c1ccccc1 95116491 PLXVMSXIXAEPEB-UHFFFAOYSA-N 359.838 4.065 0 40 FIAB c1ccc(-c2ccc3c([C@H]4CCCN4Cc4nccs4)nnn3c2)cc1 96267881 WXXWTKSBEJBMPY-QGZVFWFLSA-N 361.474 4.190 0 40 FIAB COc1ccc(CN2CCC[C@@H]2CC(=O)c2ccc(F)cc2)c(OC)c1 97230571 GFNULJBVDNEMSE-GOSISDBHSA-N 357.425 4.080 0 40 FIAB CC(C)Oc1cccc(CNC(=O)COc2ccccc2C(C)(C)C)c1 222795872 KBGXSEQHOLKHQC-UHFFFAOYSA-N 355.478 4.467 0 40 FIAB Cc1ccc(OCC(=O)NCCCc2cccc(OC(C)C)c2)c(C)c1 222827360 UUSYYWMFNMTZIQ-UHFFFAOYSA-N 355.478 4.218 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223038113 XZRUCNICKHVUIA-LLVKDONJSA-N 359.838 4.265 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223173444 DMSTYPUJXQDBBO-MRXNPFEDSA-N 369.446 4.010 0 40 FIAB Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C 223445553 TYKPNOWBVLECAJ-HNNXBMFYSA-N 351.899 4.446 0 40 FIAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(OC)cc1 224595542 SLRFGBZJTBTBMX-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224623308 OIQURZKAQKACAJ-INIZCTEOSA-N 372.896 4.020 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 224836197 YTUOQLMJQPGKPY-IBGZPJMESA-N 366.505 4.065 0 40 FIAB Cn1c(/C=C2/SCCN2C(=O)c2ccc(Cl)cc2)nc2ccccc21 225236475 NLHYWAJCGPWKIA-LDADJPATSA-N 369.877 4.414 0 40 FIAB COc1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1 225564394 LPIGOHXMEMKPEX-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Br)cc3)cc2c1 226036510 WZUFHXNWTYMDCX-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 226267333 YLGBVFLQJSWBHN-UHFFFAOYSA-N 353.466 4.299 0 40 FIAB O=C(NC1CCCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257223770 DYUCUASGEBVHLI-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 408652585 DMZLPQJMZSOIOR-IBGZPJMESA-N 365.473 4.387 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1O 409131208 MKWJQSGPLCYFBH-GZTJUZNOSA-N 361.463 4.408 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)cc3)c(=S)o2)cc1 409153956 JJGDCILZGXKELW-UHFFFAOYSA-N 359.838 4.473 0 40 FIAB CN(C)[C@@H](CNC(=O)/C=C/c1ccsc1)c1csc2ccccc12 575622218 XVGQBIKNINYLDI-OZSKJFCKSA-N 356.516 4.395 0 40 FIAB CO[C@H](C)c1nc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 584293465 JASRBTDAPFAAES-OUAUKWLOSA-N 350.406 4.010 0 40 FIAB CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 684759373 CNMLKICHDRHLEI-QGZVFWFLSA-N 356.857 4.405 0 40 FIAB CCSc1ccc(C(=O)Nc2cc(C(F)(F)F)c3cn[nH]c3c2)cn1 1638798919 GEWQHGZAZSWHNV-UHFFFAOYSA-N 366.368 4.341 0 40 FIAB CC(=O)N(c1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 626557 SZBVJKWEHNAZHY-UHFFFAOYSA-N 359.834 4.235 0 40 FIAB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 706476 LQGDXFWJRJJQCZ-IBGZPJMESA-N 356.466 4.143 0 40 FIAB Cc1cccc2cc3c(N)c(C(=O)NCc4cccs4)sc3nc12 1342884 GEQPBCZQOHCVSW-UHFFFAOYSA-N 353.472 4.332 0 40 FIAB COc1cc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(C)C 1441825 IOAQZKGLQQJEBO-SFHVURJKSA-N 372.490 4.277 0 40 FIAB CSc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccccc4)C(=S)N23)cc1 1443758 TWRJHQMQDPNJKS-RDJZCZTQSA-N 372.540 4.156 0 40 FIAB O=C(NC(=O)c1c(F)cccc1F)Nc1nc2c(Cl)cccc2s1 1869741 MLSLHWYNKJTBHY-UHFFFAOYSA-N 367.764 4.190 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCCc1c[nH]c2ccccc12 2663298 GSXXNJCARSEPEY-UHFFFAOYSA-N 358.441 4.304 0 40 FIAB O=C(NC1=NCCS1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2741359 VGLQZLRVQMHFMD-UHFFFAOYSA-N 373.890 4.449 0 40 FIAB O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 2900040 WNZZWPLDDTWYBM-UHFFFAOYSA-N 358.390 4.172 0 40 FIAB COc1ccccc1NC(=S)NNc1ccnc2cc(Cl)ccc12 3225845 OOXAAQBZSHTEFK-UHFFFAOYSA-N 358.854 4.210 0 40 FIAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccs1 3530950 PFVMQTXAKZJBCF-KRWDZBQOSA-N 355.390 4.424 0 40 FIAB CN(C)CCN(C(=O)/C=C/c1ccccc1)c1nc2c(F)cccc2s1 4359275 XLJVQIHKOPKCKX-VAWYXSNFSA-N 369.465 4.043 0 40 FIAB COC(=O)c1ccc(COc2ccccc2C(=O)Nc2ccccc2)cc1 4610447 FYTUOCYUABNRLV-UHFFFAOYSA-N 361.397 4.305 0 40 FIAB O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 4682373 ZAFSGTPVXSJNOE-UHFFFAOYSA-N 369.671 4.229 0 40 FIAB O=S(=O)(Nc1ccccc1)c1ccc2oc(-c3ccccc3)nc2c1 4784538 PZPSYAPZNJETDA-UHFFFAOYSA-N 350.399 4.296 0 40 FIAB CCn1c(CNC(=O)N(c2ccccc2)c2ccccc2)nnc1SC 5001663 XNWVNEHTSOHIMC-UHFFFAOYSA-N 367.478 4.068 0 40 FIAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1C(C)(C)C 5472593 CWBWZJJSSTUTPN-KRWDZBQOSA-N 357.479 4.244 0 40 FIAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 6635797 DNKLPXZPFSYRNC-OQZOHAQUSA-N 369.895 4.185 0 40 FIAB COc1ccc(-c2nc3ccccc3c(=O)n2CCc2ccc(O)cc2)cc1 6759172 LRNKZGQTNFUBIM-UHFFFAOYSA-N 372.424 4.020 0 40 FIAB CC(C)CC(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1 7007208 NPWRYLXISPYXDC-UHFFFAOYSA-N 373.503 4.033 0 40 FIAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1OC 7191884 ORJISSFZRWSASQ-LJQANCHMSA-N 372.852 4.476 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1 7406625 VZAVAEIWPNWYIK-UHFFFAOYSA-N 367.430 4.029 0 40 FIAB CSc1ccc(CC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 7597728 XNSJBLDEAGGTMR-UHFFFAOYSA-N 359.838 4.293 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(C(F)(F)F)cc1 7923698 PUJDENUCIIHSFW-UHFFFAOYSA-N 362.395 4.231 0 40 FIAB CCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 8497221 BNFXFTDWFZNGDD-KRWDZBQOSA-N 372.515 4.385 0 40 FIAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)c1 8917231 CUYGGAWZKCDVCO-IBGZPJMESA-N 363.413 4.147 0 40 FIAB CC(C)Cc1cc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)n[nH]1 8992733 HYYOEWCJFPXAMV-UHFFFAOYSA-N 358.858 4.095 0 40 FIAB Cc1cccc(OCC(=O)N(Cc2cccc(F)c2)Cc2ccco2)c1 9204959 BAUCDLRVWDWYON-UHFFFAOYSA-N 353.393 4.335 0 40 FIAB Cc1cccc(-c2noc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c1 9318022 LVPHLJOFDQXTPL-CQSZACIVSA-N 353.809 4.219 0 40 FIAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1N 9914226 WGUYUWFNRIGGGR-SNVBAGLBSA-N 367.232 4.068 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 10684245 YGAJRIMODPVFTQ-UONOGXRCSA-N 374.868 4.274 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10768994 LVYIUCKCFJCYQM-HNNXBMFYSA-N 368.502 4.141 0 40 FIAB COc1ccc(NC(=O)[C@H](Sc2ncccc2Cl)C(C)C)cc1 11252120 CAXUNUQSCDAHES-OAHLLOKOSA-N 350.871 4.499 0 40 FIAB CCC(CC)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12604667 NYODTAGXSFEUCO-UHFFFAOYSA-N 374.506 4.023 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 12619514 USURSSWTWFPIIR-UHFFFAOYSA-N 365.433 4.242 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12755716 UHVUWZVUMRTKNQ-UHFFFAOYSA-N 352.438 4.153 0 40 FIAB COc1ccccc1CN(C)C(=O)c1sc(-c2ccsc2)nc1C 12855730 BFUDGLBFDQBMGB-UHFFFAOYSA-N 358.488 4.461 0 40 FIAB O=C(NCCC1CCCCCC1)c1ccccc1I 13632508 KZQFPCRNYNGGKY-UHFFFAOYSA-N 371.262 4.382 0 40 FIAB COc1ccccc1OCCNc1nc(C(F)(F)F)nc2ccccc12 14185293 POWQEDXXCVLGQR-UHFFFAOYSA-N 363.339 4.148 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1 14227418 DEBZUNNEVMKBGE-UHFFFAOYSA-N 369.490 4.030 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2c(C)cc(=O)oc2c1 14848155 YMKWMSGTMWYUIN-UHFFFAOYSA-N 374.396 4.246 0 40 FIAB Cc1csc2nc(CNc3ccc(Cl)c(C(F)(F)F)c3)cc(=O)n12 15294682 OQQXIRPASQJIEP-UHFFFAOYSA-N 373.787 4.349 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)cs2)cc1 15832530 WVKOWGJMMYUXMC-AWEZNQCLSA-N 370.449 4.341 0 40 FIAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2)o1 15881491 WYLMPKBQKCKANV-UHFFFAOYSA-N 360.417 4.453 0 40 FIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)OCCO2 16977716 KBVHQYXHANVNQQ-UHFFFAOYSA-N 372.833 4.487 0 40 FIAB Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1 19208607 BESDUMKPMJHYBD-UHFFFAOYSA-N 352.453 4.109 0 40 FIAB CCCCn1nc(C)c(CNCC2(c3ccccc3F)CCOCC2)c1C 19502415 PPIJTGVUASIQOT-UHFFFAOYSA-N 373.516 4.277 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 20729895 RZADCJWYUTYLES-PZJWPPBQSA-N 350.462 4.358 0 40 FIAB COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1Cl)N(C)C 21322235 UNZKHLZOPYWEOY-INIZCTEOSA-N 367.276 4.035 0 40 FIAB COC[C@@H](C)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 22624934 AYLGOFFEOVUFKK-CQSZACIVSA-N 352.459 4.242 0 40 FIAB Cc1cc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)nc(C)n1 24567702 JZNNVNNSUBBPGP-UHFFFAOYSA-N 370.522 4.205 0 40 FIAB FC(F)(F)c1cnc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 25177763 LQINVARMIBVUJZ-UHFFFAOYSA-N 355.791 4.076 0 40 FIAB O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1cccs1 26771296 SFLZEJGYKCIRRA-LBPRGKRZSA-N 350.654 4.253 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)s2)o1 30368793 JEMXEVMFGDUWOX-GWCFXTLKSA-N 371.911 4.471 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)Cc2cc(F)cc3cccnc23)c(C)c1 32825197 KWMJGABUWDQHES-UHFFFAOYSA-N 365.452 4.370 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1n[nH]c2ccccc12 32906187 OLWMKLXJYYAEKY-UHFFFAOYSA-N 370.384 4.141 0 40 FIAB CNC(=O)c1ccc(NC(=O)CSCc2cccc3ccccc23)cc1 32907784 RKPGGNLVIZPHRY-UHFFFAOYSA-N 364.470 4.071 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(Cl)c2)cc1O 36359242 PCPBROFRFRMYJW-AWEZNQCLSA-N 369.808 4.364 0 40 FIAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 36635876 QUSLUWBFJMIGAA-CQSZACIVSA-N 363.244 4.354 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCN(c2nc3ccccc3s2)CC1 38547781 GKAJFNAXCCIDEI-UHFFFAOYSA-N 372.881 4.304 0 40 FIAB COc1cc2ncnc(Nc3ccc(Br)c(C)c3)c2cc1OC 57524310 JJQKIIAMLVIQLT-UHFFFAOYSA-N 374.238 4.462 0 40 FIAB CCn1cc(C(=O)NCCc2coc(-c3ccccc3)n2)c2ccccc21 58202207 LBSCWRSGSVJFEF-UHFFFAOYSA-N 359.429 4.289 0 40 FIAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1 58366398 WKXWXLBQXKQGEE-UHFFFAOYSA-N 355.825 4.274 0 40 FIAB CC[C@H](C)NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289740 SSZDVDUDBKHOEO-HNNXBMFYSA-N 368.506 4.020 0 40 FIAB O=C(/C=C/c1cccs1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635393 BMIOMWVPXXWUCQ-WAVCKPEOSA-N 367.392 4.380 0 40 FIAB Cc1nc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)oc1C 72312462 HWHUXGJQYGMKGD-UHFFFAOYSA-N 353.397 4.224 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330118 HSCRRDOUWMDZGL-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)[nH]n2)cc1 72331543 BBOHNWUWPMIJAP-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN1CCc1ccccc1 72359245 GZCBYYKDEWLJKI-IBGZPJMESA-N 361.493 4.165 0 40 FIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414256 NTIJYPXBBRJMJK-UHFFFAOYSA-N 370.474 4.476 0 40 FIAB Cc1nc(SCc2nc([C@H](C)OCC(C)C)no2)c2ccccc2n1 75075275 SKCHENOZNYMTOA-LBPRGKRZSA-N 358.467 4.347 0 40 FIAB CC(C)(C)c1ccc(OCc2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)cc1 95534037 BRJWDKSQFPURIP-SFHVURJKSA-N 370.884 4.383 0 40 FIAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96116922 MEHUFAXDSCZKGH-GOSISDBHSA-N 370.884 4.288 0 40 FIAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1nccs1 100650217 RGRGPPANYBVCPS-WZWWUGBPSA-N 355.301 4.206 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 103717862 UDVHJBUGUJZWKV-JTQLQIEISA-N 367.207 4.124 0 40 FIAB CCCOc1ccc(C(=O)NCc2ccc(OCC)c(OCC)c2)cc1 218981403 CWHYIPBOFCNJEV-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB Cc1ccc(N2CCC(C(=O)NCCSCc3ccccc3)CC2)cc1 219851228 UWLBMIQCUWRUPI-UHFFFAOYSA-N 368.546 4.261 0 40 FIAB C[C@H](NC(=O)c1cnc(-c2ccc(F)cc2)nc1)c1ccc(Cl)cc1 222618160 VIZYUBLJBFMBDJ-LBPRGKRZSA-N 355.800 4.427 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CC1 222910200 WWMRMMXGLSOUAL-VQTJNVASSA-N 368.550 4.463 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)CCc1ccc(OC)c(C)c1 223216091 FRIHVIWNQORCPK-HXUWFJFHSA-N 353.462 4.139 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)c(C)c1 223794708 GQJRMBGPVXMDHQ-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1Cl 223928018 CRPWCZRXKWZXSC-UHFFFAOYSA-N 360.841 4.129 0 40 FIAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(Cl)cc1F 224699549 SOTLOSZGECBFCQ-UHFFFAOYSA-N 360.860 4.395 0 40 FIAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 225539611 GVXPRSNLPSTDGX-UHFFFAOYSA-N 372.468 4.360 0 40 FIAB Cc1cc(C)cc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 225820160 DCYNZEAEKKYZQT-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB CS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)c(Cl)c3)=N2)cc1 255188175 IWOATVBDMSLNLI-UHFFFAOYSA-N 369.273 4.011 0 40 FIAB COc1ccc(Cc2cnc([C@H]3CCCN3Cc3cscn3)o2)cc1 257325830 WUOYMOWDBFLJCI-GOSISDBHSA-N 355.463 4.068 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)n1 409412877 XOEIHHKRZIVWCQ-JLBAHBRCSA-N 351.494 4.150 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)c1ncco1)N[C@@H]1CCC[C@H](C2CC2)C1 654599768 SNUBXADCEKLBES-OTWHNJEPSA-N 353.466 4.226 0 40 FIAB CCc1oc2ccccc2c1CC(=O)N1CCC(c2cscn2)CC1 952994708 HAPXWZQWRWSOBT-UHFFFAOYSA-N 354.475 4.400 0 40 FIAB C[C@H](O)c1ccc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)cc1 1242647648 GTLDFMSRJGYPGD-HNNXBMFYSA-N 356.425 4.196 0 40 FIAB CC[C@@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C(=O)OC)C1 669295 HRFCWSHIIXXGKY-CYBMUJFWSA-N 373.474 4.067 0 40 FIAB CC1CCN(C(=O)Nc2cccc(NC(=O)N3CCC(C)CC3)c2)CC1 716716 FLQOXGXDWXMDAA-UHFFFAOYSA-N 358.486 4.214 0 40 FIAB Cc1ccc2ccc(S(=O)(=O)n3cnc4cc(C)c(C)cc43)cc2c1 836084 KJXSGHGHJISCBX-UHFFFAOYSA-N 350.443 4.352 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1nc2c(s1)CCc1ccccc1-2 912360 LPYAMQXMNFZJLW-UHFFFAOYSA-N 366.442 4.178 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c(C)c1 976205 XRFHLWRKZULTHM-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1 992783 GDDILYJIRFKYJZ-UHFFFAOYSA-N 361.397 4.228 0 40 FIAB CCc1ccc2nc3sc(C(=O)N4CCC[C@H](C)C4)c(N)c3cc2c1 1342788 RBQLNMLHLPVWFG-LBPRGKRZSA-N 353.491 4.466 0 40 FIAB CCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2cccc(C)c2)s1 1345411 URYANJHVDJIYFD-UHFFFAOYSA-N 367.474 4.118 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2cccc(Cl)c2)c1=O 1391133 TVNKAFMLXDTDNR-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB O=S(=O)(c1ccccc1)[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1 1624030 QWDDSJFANYSBPX-SFTDATJTSA-N 365.454 4.370 0 40 FIAB Cn1c(-c2ccccc2)c(NC(=O)Nc2cccc3ccccc23)c(=O)n1C 1793855 XDOGTHFBHKMRNM-UHFFFAOYSA-N 372.428 4.188 0 40 FIAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccnc1)nn3CC(C)C 2393306 ZSGMEWQZWLLIEW-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 2425813 KDHMIHALWSSLPX-GZTJUZNOSA-N 371.414 4.040 0 40 FIAB O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(F)cc1 2571002 QTVXWTLTKSGTTA-UHFFFAOYSA-N 370.492 4.462 0 40 FIAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccccc1 3283420 YJFHTEWCZVZMPQ-UHFFFAOYSA-N 368.437 4.150 0 40 FIAB C[C@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3309077 PCSXYMSRQIYMRW-JTQLQIEISA-N 355.287 4.029 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F 3385293 HQCIEYYLUXLYDT-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1F 3437957 LQQFUHBNZJYSJU-OAHLLOKOSA-N 363.388 4.463 0 40 FIAB COc1ccccc1Nc1nnc(SCCOc2ccccc2)s1 3494332 MSKBREXHILFCRY-UHFFFAOYSA-N 359.476 4.461 0 40 FIAB Cc1cc2cc(CNC(=O)c3cccc(Br)c3)ccc2n1C 4061512 TUUIRFDMGQGWAU-UHFFFAOYSA-N 357.251 4.179 0 40 FIAB COc1ccc(C(=O)CSc2ccc(-c3ccc(F)cc3)nn2)cc1 4356420 ALIPMPFIBIDHKK-UHFFFAOYSA-N 354.406 4.266 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CCSc3ccc(F)cc3)o2)cc1 4496875 CASZJZQVPCMYPC-UHFFFAOYSA-N 373.409 4.005 0 40 FIAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 4784226 MBJSGWVIACOMET-XMMPIXPASA-N 371.436 4.002 0 40 FIAB CCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 4910370 YVWNNNYSIIKFCW-HNNXBMFYSA-N 355.434 4.201 0 40 FIAB COC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2ccccc12 4936750 BMOIRTBMWMEOJV-UHFFFAOYSA-N 368.502 4.363 0 40 FIAB CCCC[C@H](CC)CN[C@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)O 5258236 XSCNERKRSDZAAY-WMLDXEAASA-N 368.905 4.236 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 6630074 HZQRKRYREHGCLH-UHFFFAOYSA-N 355.507 4.276 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 7387462 BWFXQEYSNCNLJE-UHFFFAOYSA-N 369.870 4.111 0 40 FIAB Cc1ccc(C)c(OCCC(=O)OCc2cn3cc(Cl)ccc3n2)c1 7983404 CCIRCWRQKSKDAJ-UHFFFAOYSA-N 358.825 4.117 0 40 FIAB O=C(COc1ccccc1Cc1ccccc1)Nc1nc2c(s1)CCC2 8327801 QQXNJNYZCAGMFE-UHFFFAOYSA-N 364.470 4.240 0 40 FIAB S=C1NC(c2cccs2)=C[C@H](c2ccc(Br)cc2)N1 8683728 QGFRSHALIWYLOH-LLVKDONJSA-N 351.294 4.071 0 40 FIAB aggregator COCCOC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc12 8783318 OSAAEZIFKNODQR-UHFFFAOYSA-N 373.836 4.160 0 40 FIAB biogenic,in-vitro CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 9062845 ZPUIJTOCKZNDRU-UHFFFAOYSA-N 352.478 4.325 0 40 FIAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1 9573854 CPTRHEKEESFRHF-UHFFFAOYSA-N 366.808 4.292 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 10260899 PGSXHJUANHQBDK-INIZCTEOSA-N 358.804 4.124 0 40 FIAB Cc1cc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1=O 10747074 BJWGNMQLJVYTDT-CQSZACIVSA-N 371.868 4.214 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ccccc2)C2CC2)cc1Cl 12677293 NYDXVNLXYTXEJP-YJYMSZOUSA-N 358.869 4.417 0 40 FIAB COc1ccc(NC(=O)CSCCc2ccccc2)cc1OC(F)F 12971406 LSLIMUPFDODVDU-UHFFFAOYSA-N 367.417 4.211 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1cccc(F)c1)c1ccc(NC(=O)C2CC2)cc1 12972665 MBDGSDMBWMUZKF-UONOGXRCSA-N 369.440 4.296 0 40 FIAB CCOC(=O)[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 13284550 BEYODDFYQGKQJX-AWEZNQCLSA-N 362.351 4.471 0 40 FIAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 13675122 QZJXZXADVDXCOS-UHFFFAOYSA-N 350.506 4.344 0 40 FIAB CCc1noc(C)c1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 14022001 OFBSDIUUEUBHBI-UHFFFAOYSA-N 356.451 4.440 0 40 FIAB Cc1csc2nc(CN[C@@H](c3ccc(Cl)cc3)C(C)C)cc(=O)n12 14084437 JTVZZHSJTJBUOO-QGZVFWFLSA-N 361.898 4.205 0 40 FIAB COc1c2c(cc3c1C=CC(C)(C)O3)OCC(c1ccc(O)cc1O)=C2 14613164 LDZFETFUTCHVSH-UHFFFAOYSA-N 352.386 4.224 0 40 FIAB biogenic Cc1noc(C)c1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 14662534 ANTIIXNORSLEQX-UHFFFAOYSA-N 363.133 4.325 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cnc2ccccc2n1 15094435 VZKGTFPCWWYTPK-GCZGRYASSA-N 374.469 4.472 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 16092960 MHUFYDNMGYRPCR-UHFFFAOYSA-N 368.410 4.449 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2cc(F)ccc2C)C1=O 17145688 RLPSKKOHOPCBPB-RQZCQDPDSA-N 372.421 4.249 0 40 FIAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCCC3)CC[C@@H]21 19406574 DCINHGMCVZHZFP-ACRUOGEOSA-N 372.578 4.497 0 40 FIAB Cc1c(CN2CCC(c3ccc(Cc4ccccc4)cn3)CC2)cnn1C 19690495 SAPOXCVTSGLVPG-UHFFFAOYSA-N 360.505 4.094 0 40 FIAB Cc1ncc(CN2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)s1 19693482 YMIOLRZOVDXINC-HXUWFJFHSA-N 369.465 4.226 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)cc1OC 20632741 NIAOBFQVCWCOBF-MRXNPFEDSA-N 362.429 4.111 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1cnc(SC)n1-c1ccccc1 21342295 SGDWOSMPLIVODQ-AWEZNQCLSA-N 367.474 4.094 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)cc1)SCC(O)=N2 21523826 QRSJVWZVHDQLFS-GOSISDBHSA-N 351.431 4.311 0 40 FIAB O=C(c1ccc(OCc2cccnc2)cc1)N1CC[C@H]2CCCC[C@H]2C1 23113965 IIZDIDKMIAESAL-QUCCMNQESA-N 350.462 4.313 0 40 FIAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2ccccc2c1 24829064 YRECIRMGSWWUFU-HNNXBMFYSA-N 362.429 4.440 0 40 FIAB Cc1cccc2c1N[C@H](c1c(C)nn(Cc3ccccc3)c1Cl)NC2=O 27577774 GNEUPXCIDGMXAP-IBGZPJMESA-N 366.852 4.056 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cn2ccnc2)cc1 30944267 YZRCOXSDOMWWNJ-UHFFFAOYSA-N 367.452 4.451 0 40 FIAB CCCC[C@H](CC)CNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C 40103828 DHDIGCPZMDOGKV-SFHVURJKSA-N 360.546 4.085 0 40 FIAB CCN(C(C)=O)c1nc(CN2CCC[C@@H]2CCc2ccccc2)cs1 48251734 WNKATZPANNULAE-LJQANCHMSA-N 357.523 4.113 0 40 FIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC[C@@H](O)c1ccccc1 48314283 HEDHJGGVDLCPCC-HSZRJFAPSA-N 370.452 4.158 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)NC[C@H]2CCCOC2)cc1C 55920670 JYBGZBMMPWYKQP-MRXNPFEDSA-N 356.491 4.006 0 40 FIAB CSc1nnc(SCc2cccc(OCC(F)(F)F)c2)s1 59832522 HCRYHROVBAKNHG-UHFFFAOYSA-N 352.428 4.493 0 40 FIAB Cc1ccc(-c2nnc(Cc3nc(-c4ccc(F)cc4)no3)o2)cc1C 65185476 IJEYXKOLYXNEBQ-UHFFFAOYSA-N 350.353 4.133 0 40 FIAB CN(CCc1ccc(F)cc1)C(=O)c1c[nH]nc1-c1ccc(Cl)cc1 65667159 BZZXBCAGGPSHND-UHFFFAOYSA-N 357.816 4.184 0 40 FIAB CSc1nc(C(=O)N2CCCSc3ccccc32)c2ccccn12 69325254 KDAQREOWJSXQNR-UHFFFAOYSA-N 355.488 4.199 0 40 FIAB O=C(CC[S@](=O)Cc1csc(-c2ccccc2)n1)Nc1ccccc1 71801187 NPXFLACWYMMMJH-RUZDIDTESA-N 370.499 4.088 0 40 FIAB C[C@H]1CCN(C(=O)c2cccc(N3CCOC3=O)c2)c2ccccc2S1 71919159 MDPVBIRXMCWIQV-AWEZNQCLSA-N 368.458 4.174 0 40 FIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C(F)(F)F)cc1 72328938 DGDKIXNUHLWEPE-UHFFFAOYSA-N 359.351 4.334 0 40 FIAB CCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1OCCC 72414216 DVZVDGDOOBZBFH-RDJZCZTQSA-N 369.527 4.121 0 40 FIAB Cc1ccc(NC(=O)C2CCN([C@H](c3ccccc3)C(C)C)CC2)nc1 84191597 ZCUCCSSGXWUSQG-NRFANRHFSA-N 351.494 4.438 0 40 FIAB c1ccc(Cn2ncc3c2CCC[C@@H]3Nc2cccc(-n3ccnc3)n2)cc1 84544567 IZHVQSKMYJRCSO-IBGZPJMESA-N 370.460 4.002 0 40 FIAB COc1ccc(-n2cnc3c2[C@H](c2ccc(O)cc2)SCC(O)=N3)cc1 95474503 VHSKZBDBDIZHJS-SFHVURJKSA-N 367.430 4.011 0 40 FIAB O=C(COc1ccccc1)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117895 PFGOSDKLSCHLQB-KRWDZBQOSA-N 354.837 4.394 0 40 FIAB Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(-n3cnnc3)cc2)cc1 133693946 NLRVRNDJCBCYKP-UWJYYQICSA-N 360.461 4.189 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N1CCS[C@H](c2ccccc2)CC1 208044061 XVQODFKWBINFDM-BAILOTOSSA-N 359.516 4.167 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(C)c1)c1ccc(OC)c(OC)c1 219318501 VSAGXPFFBCBHCT-RBUKOAKNSA-N 371.477 4.437 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222852907 XLDQQBYEOGLMTM-RBUKOAKNSA-N 354.523 4.379 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1C 222945595 IVSAXFNCMRVASH-SFHVURJKSA-N 355.434 4.276 0 40 FIAB Cc1ccc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 222956320 SXFWJQSKRPXNHE-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 222983144 DSROTMUZXGKUTJ-GFCCVEGCSA-N 373.324 4.425 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 223300888 JFFSIKHLVILTRU-OAHLLOKOSA-N 367.445 4.148 0 40 FIAB CCOc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1 224588875 BJYBKMPSQIDAPF-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CCN(c1cccc(Br)c1)S(=O)(=O)c1ccc(Cl)cc1 224702923 LUARAOLPVGLEJI-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccc(C)cc3)o2)cc1 224855534 USKMQZLBQGDKGN-UHFFFAOYSA-N 364.445 4.298 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225470314 OTKMYSXSDXAVKT-INIZCTEOSA-N 367.518 4.478 0 40 FIAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1C 225642931 SFEWSHSRNSFENC-UHFFFAOYSA-N 362.429 4.387 0 40 FIAB CCOc1cccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)c1 225704294 HJVPPYLTOCYHRZ-IBGZPJMESA-N 356.491 4.458 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225792317 OZVMBKDLUMMLND-HZPDHXFCSA-N 353.462 4.219 0 40 FIAB O=C(NCN1CCC(Cc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 226761399 XKDRIMHNYAUEJW-UHFFFAOYSA-N 366.549 4.231 0 40 FIAB Cc1nccc(N2CC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257273306 NGBLDFTWCUONAD-OAHLLOKOSA-N 354.841 4.011 0 40 FIAB CC(C)n1cc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1 257322989 WIHVKGGJULCXHZ-UHFFFAOYSA-N 371.485 4.036 0 40 FIAB Cc1c(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)nnn1CC1CCCC1 329909680 VFGRTCCQLIOTNF-FBRRREGBSA-N 364.493 4.095 0 40 FIAB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)c1ccccc1 409369821 ZFERVSFTGPIWMY-FHQLIMNDSA-N 371.436 4.090 0 40 FIAB CC(C)c1cc(C(N)=O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 648327 PVXWODGWGJNZDY-UHFFFAOYSA-N 371.289 4.458 0 40 FIAB COC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCCC2 879561 NWGCVEOKDIHMKR-UHFFFAOYSA-N 364.854 4.104 0 40 FIAB COc1ccccc1C(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl 1006499 CFZHWMWZDFITHE-UHFFFAOYSA-N 374.868 4.377 0 40 FIAB CC1(C)[C@]2(C(=O)NC(c3ccccc3)c3ccccc3)CC[C@@]1(C)C(=O)O2 1058379 WZPQMHUPXQPZOY-XZOQPEGZSA-N 363.457 4.014 0 40 FIAB CCC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1 1447905 HVRTXCHTFPGURL-UHFFFAOYSA-N 351.383 4.385 0 40 FIAB biogenic Fc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 2391801 QOTPMBKNQLZRQH-UHFFFAOYSA-N 366.421 4.413 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)SCC(=O)N2 2453151 JFHCYKCSDUIZKC-GOSISDBHSA-N 353.422 4.095 0 40 FIAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)NCCC1=CCCCC1 2644901 APQCJONPGIPDLQ-MRXNPFEDSA-N 351.446 4.392 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2nc1C 2699473 JAOHWHGCLIJUBG-UHFFFAOYSA-N 373.865 4.331 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)c1 2722898 YHKQOTRYRKEUSL-UHFFFAOYSA-N 363.442 4.087 0 40 FIAB Cc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2)c(C)c1 2736211 NLQJLSXSQJKFEC-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(OC)c1 2761088 GTLFWQCDZCWDKA-UHFFFAOYSA-N 367.426 4.463 0 40 FIAB C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 3309080 PCSXYMSRQIYMRW-SNVBAGLBSA-N 355.287 4.029 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCc1ccccc1 3336897 ZYAXLYHPFLAEHG-UHFFFAOYSA-N 353.853 4.197 0 40 FIAB O=C(NC1=NCCS1)c1ccc(CSc2ccc(Cl)cc2)cc1 3359854 VFLGBGNTPBIEKE-UHFFFAOYSA-N 362.907 4.465 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1C(F)(F)F 3367738 LVECOCVAEDTBRV-MRXNPFEDSA-N 366.383 4.255 0 40 FIAB Cc1ccc(NC(=O)[C@@H](Sc2nncn2C)c2ccccc2)cc1Cl 3395143 WETCUYFHJMSEJS-INIZCTEOSA-N 372.881 4.249 0 40 FIAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cn(C)c4ccccc24)N3)C1 4124925 SLKUAWZKJGNYQT-SFHVURJKSA-N 366.490 4.047 0 40 FIAB COc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)o2)c1 4276041 XPONUSBADRUEHK-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2ccncc2)nn1 4392136 XMMFUJDZLRLYAQ-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cccc(F)c1 4696199 ZZEQSRPUUCTBKD-UHFFFAOYSA-N 363.801 4.162 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2Br)o1 5102652 WSBPRZRSFXJWPW-UHFFFAOYSA-N 355.257 4.206 0 40 FIAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1ccco1 5146487 KIJNNRACSJIYIT-UHFFFAOYSA-N 371.849 4.168 0 40 FIAB CCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2)cc1OC 5558716 KVUGRWBTTQVREZ-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc2c(c1)OCO2 5971968 RJWKAJRNHQMMQU-UHFFFAOYSA-N 370.455 4.270 0 40 FIAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N2C(c3ccc(C)cc3)=CSC2=N1 6300049 PANGWJWBLGBGNF-LJQANCHMSA-N 361.470 4.212 0 40 FIAB O=S(=O)(Nc1cccc2ccccc12)c1cccc(Br)c1 6315933 DAVYRLXKCSLBNT-UHFFFAOYSA-N 362.248 4.403 0 40 FIAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccccc1F 6743448 FDUMCECUHIFHSG-UHFFFAOYSA-N 353.441 4.073 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 6852954 VWZCNLAZEHKBHE-BMIGLBTASA-N 355.290 4.402 0 40 FIAB CN(C(=O)NC1CCCCC1)c1ccccc1C(=O)NC1CCCCC1 8375214 AZLYSINTUCCGPF-UHFFFAOYSA-N 357.498 4.228 0 40 FIAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2cccnc2)cc1 9281307 VMHYFIXBIPJPPH-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB CC[C@H](c1ccccc1)c1nn2c(-c3ccc(OC)cc3)nnc2s1 9583273 HDUBKIUNKHZSAT-MRXNPFEDSA-N 350.447 4.403 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 9827697 HCWGUFBLCZJWHC-UHFFFAOYSA-N 362.351 4.257 0 40 FIAB Cc1nn2c(NCc3ccncc3)c3c(nc2c1-c1ccccc1)CCC3 12113374 OIDVNUDAKCEGFR-UHFFFAOYSA-N 355.445 4.201 0 40 FIAB CN(C)[C@H](CNc1ncnc2ccsc12)c1c(F)cccc1Cl 12780834 QHCVLWIFGFQULV-CYBMUJFWSA-N 350.850 4.199 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3cccc(-c4nnn[nH]4)c3)cc2)cc1 12789712 DXHDGZDTWMJDER-UHFFFAOYSA-N 371.400 4.220 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 12793273 FKIFADXSBZKFCI-HBAHQKBISA-N 367.445 4.089 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1OC(F)F 12800176 LGUHJFMLGJVFNB-SNVBAGLBSA-N 371.767 4.356 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)[C@@H](C(=O)NC1CC1)c1ccccc1 12853532 WYNYKVKJDKSQGE-GOSISDBHSA-N 363.288 4.445 0 40 FIAB CC(C)(C)c1nc(CSc2nnc(-c3ccc(Cl)cc3)o2)no1 12933558 RPVSAAOPXQTLEI-UHFFFAOYSA-N 350.831 4.363 0 40 FIAB C[C@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 12951601 LWPAOEPSIWUBML-CYBMUJFWSA-N 370.453 4.123 0 40 FIAB O=C(CCC1CCCC1)N[C@@H]1CCCc2nc(-c3cccnc3)ncc21 13266324 VAIWVMFKQAIEKB-GOSISDBHSA-N 350.466 4.003 0 40 FIAB Cc1cc(C(=O)O)ccc1NC(=O)c1cc(Br)ccc1Cl 13391167 NFFCVVKUFSAAIL-UHFFFAOYSA-N 368.614 4.361 0 40 FIAB COc1cc2[nH]c(=S)nc(NCCc3ccc(C)cc3)c2cc1OC 13660123 VIORPVHNIUUNAI-UHFFFAOYSA-N 355.463 4.273 0 40 FIAB COc1ccc(C(=O)CSc2nnc(C(C)C)n2Cc2ccco2)cc1 14094733 MIOBOMCJOCOUHP-UHFFFAOYSA-N 371.462 4.026 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 14398612 VFKYMKGSGKUQNS-HNNXBMFYSA-N 369.461 4.485 0 40 FIAB O=C(Nc1ccc(OC(=O)C2CC2)cc1)c1ccccc1Br 15597519 UMILZLUEARQNDO-UHFFFAOYSA-N 360.207 4.017 0 40 FIAB C[C@H]1CC(=O)c2c(OC(=O)c3ccccc3OC(F)F)ccc(F)c21 15635237 XPTJCLOZJKZUEI-VIFPVBQESA-N 350.292 4.336 0 40 FIAB COc1ccc(N2CCn3c(SCc4cccc(Cl)c4)nnc32)cc1 16954020 JIXSJAXAWGMKHJ-UHFFFAOYSA-N 372.881 4.384 0 40 FIAB Fc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 17200380 WACXQNTUEZMSSN-UHFFFAOYSA-N 374.423 4.298 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)n2)cc1F 18706947 JRAMFOJTFQUTHT-UHFFFAOYSA-N 363.439 4.283 0 40 FIAB CC(C)(C)N[C@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl 19228876 WXPXIYGXSAEIBV-NSHDSACASA-N 358.096 4.154 0 40 FIAB CC(=O)N[C@@H](c1ccccn1)C1CCN(CC[C@H](C)c2ccccc2)CC1 19455624 SOLADNXPSBPMSJ-FDDCHVKYSA-N 365.521 4.165 0 40 FIAB COc1cccc(O[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)c1 20037617 YCMHXXNDCIGCJF-QGZVFWFLSA-N 361.441 4.368 0 40 FIAB CCOc1ccccc1NC(=O)CCc1ccc(OCC)c(OCC)c1 20112185 ZQAFPKMXRNHNPL-UHFFFAOYSA-N 357.450 4.454 0 40 FIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)Nc1cccc2cccnc12 21653796 NZAMZYBYQJISMS-VOTSOKGWSA-N 366.804 4.311 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(C)c3)n2)cc1 21806591 PQDWNFFPKJWHII-AWEZNQCLSA-N 351.406 4.013 0 40 FIAB O=C(COc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 24606122 OZPVAPYGHCOYJI-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccccc1O 24986782 PZQOUOZHMDQWEX-UHFFFAOYSA-N 373.865 4.271 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)NCc2ccccc2Cl)o1 28237803 URKBTFPLUAEEBK-UHFFFAOYSA-N 371.820 4.451 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1 32623311 HPNJANLEKHAYJA-GFCCVEGCSA-N 371.824 4.358 0 40 FIAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1nnc(C)s1 35311953 FRTBVIHQJGIJIN-UHFFFAOYSA-N 372.519 4.305 0 40 FIAB Cc1c(C(=O)NCCCOc2ccccc2F)n(C)c2ccc(Cl)cc12 35322770 ZXRJUFWZSVNOME-UHFFFAOYSA-N 374.843 4.478 0 40 FIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc(-c2ccccc2)on1 36709469 CQQRIJIZLOTQDG-UHFFFAOYSA-N 366.764 4.297 0 40 FIAB Cc1nc(C2(NC(=O)CCSc3ccc(C)c(C)c3)CCCCC2)no1 40040097 HVUQMMDIBXFYCF-UHFFFAOYSA-N 373.522 4.453 0 40 FIAB CCOC(=O)c1cnc2ccc(Br)cc2c1N(CC)CC 40175586 SKEVHVLZQXLMAU-UHFFFAOYSA-N 351.244 4.020 0 40 FIAB Cc1ccc(-c2noc(CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 41097932 QXTBRTYGPLPDDH-UHFFFAOYSA-N 364.380 4.409 0 40 FIAB Fc1ccc(-c2cn3nc(N4CCc5sccc5C4)sc3n2)cc1 51621446 KODCHWOZJAIRIZ-UHFFFAOYSA-N 356.451 4.221 0 40 FIAB C[C@H]1CCN(C(=O)CSc2ccc(Cl)nn2)c2ccccc2S1 54514158 GWCQKMGILFUFFA-NSHDSACASA-N 365.911 4.140 0 40 FIAB O=C(CNc1cccc(OC2CCCC2)c1)N1CCc2ccccc2C1 58009897 ADMHBBFOFVFUAQ-UHFFFAOYSA-N 350.462 4.005 0 40 FIAB O=C(Nc1ccc2oc(=O)ccc2c1)N1CCCCC[C@@H]1c1ccncc1 65798008 DDNAJPCDRCBCOM-GOSISDBHSA-N 363.417 4.337 0 40 FIAB O=C(NC[C@@H]1COc2ccccc2C1)C1(c2cccc(F)c2)CCCCC1 71824178 YNHUFKIBXAJHKS-QGZVFWFLSA-N 367.464 4.395 0 40 FIAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72359325 NHUOEZUXUNBABJ-HXUWFJFHSA-N 357.457 4.472 0 40 FIAB CCn1c([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n[nH]c1=S 85400164 WTFFDWARWDIHCW-ZDUSSCGKSA-N 352.891 4.131 0 40 FIAB Cc1ccc(CNC(=O)c2ccc3ccc(N4CCC(C)CC4)n3c2)o1 96264103 KMLDFUQJVGCDBK-UHFFFAOYSA-N 351.450 4.007 0 40 FIAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 201084091 ATNVWFQBVAFQGA-AWNIVKPZSA-N 364.489 4.473 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SC)s1 223647127 XUWBSMQRXJAGFG-CYBMUJFWSA-N 359.476 4.209 0 40 FIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1C 224284479 FYRMAUCAUWALGS-VQTJNVASSA-N 362.502 4.214 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C 224421429 WKKPQINJODJBLV-ZDUSSCGKSA-N 373.324 4.283 0 40 FIAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225685831 SVVHZXBGCPKURA-QGZVFWFLSA-N 372.490 4.293 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCCC1 225706979 YSZSXPDIMYPHIZ-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB Cc1cccc(Nc2cncc(C3CCN(CCc4ccccc4)CC3)n2)n1 257279899 OIPNIPVWANMFGZ-UHFFFAOYSA-N 373.504 4.346 0 40 FIAB O=C(NCc1nccnc1-c1ccco1)c1ccc(-c2ccsc2)cc1 390829170 DEGYGXLEJDBSQG-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB CCOc1ccccc1-c1nnc(SCc2ccc(C(=O)O)cc2)o1 408527293 LVBFTDBFSAWXNY-UHFFFAOYSA-N 356.403 4.126 0 40 FIAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NC(C)(C)C 408564002 UGDIWCARPBMDAW-UHFFFAOYSA-N 370.518 4.395 0 40 FIAB O=C(Cc1ccn(-c2ccccc2)n1)Nc1ccc(Cl)c2cccnc12 531792599 IWVSVGTVOHMBLM-UHFFFAOYSA-N 362.820 4.255 0 40 FIAB O=C(O)[C@@H](c1ccccc1F)N1CCC(c2c[nH]c3ccccc23)CC1 565106531 ZAPLAJSBQWFMOP-HXUWFJFHSA-N 352.409 4.312 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccc(Cl)s1 1775968170 LOVQIXRCPPBFHC-VIFPVBQESA-N 353.852 4.186 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1 869921 LNADSTLLZDWGSM-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)c1 929469 RMGNVLLVNAWORM-UHFFFAOYSA-N 365.458 4.035 0 40 FIAB CC(=O)Oc1c(Br)cc(C(C)(C)C)cc1Br 1684271 DDIGGEXVVUFQGL-UHFFFAOYSA-N 350.050 4.434 0 40 FIAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NCCCOC)c23)CO1 2393568 UJAUVHYNANPOCQ-KRWDZBQOSA-N 367.540 4.103 0 40 FIAB Cc1cccc(-n2nnnc2SCc2cccc(C(F)(F)F)c2)c1 2642358 BWKHVUODQBEMCG-UHFFFAOYSA-N 350.369 4.282 0 40 FIAB CN(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3239354 NNSVZSRPZCECOW-JLHYYAGUSA-N 351.837 4.294 0 40 FIAB CN(C(=O)c1ccc(F)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078440 GVNRGEVJVSPSEE-UHFFFAOYSA-N 371.481 4.422 0 40 FIAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)CC(C)C 4122479 HUBROLYUXXPAEO-UHFFFAOYSA-N 368.462 4.057 0 40 FIAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)N(C)c2ccccc2)cc1 4835910 DRZOJYIKYCEWJK-HNNXBMFYSA-N 366.490 4.028 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)CN2CCC(N3CCCCC3)CC2)cc1 4968938 DLSSWGWEOYQVFS-SFHVURJKSA-N 357.542 4.089 0 40 FIAB Cc1cc(NC(=O)c2cccs2)c(=O)n(Cc2ccccc2Cl)c1 5000871 BQYDHDCONBXEEC-UHFFFAOYSA-N 358.850 4.172 0 40 FIAB CSc1ccccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268779 ADLHHHUIFBXYAR-UHFFFAOYSA-N 368.433 4.010 0 40 FIAB Cc1ccc(O)c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)c1 5343093 GQHNMWRHKQIMQC-UHFFFAOYSA-N 361.323 4.362 0 40 FIAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@H]1CCCc2ccccc21 5628413 JTVFFTHXOBMOKX-BBRMVZONSA-N 351.475 4.237 0 40 FIAB Cc1c(C(=O)N(C)CC(=O)Nc2ccccc2Cl)oc2ccccc12 5937398 QDIQRCNUXVIGMZ-UHFFFAOYSA-N 356.809 4.105 0 40 FIAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(Cl)c1 7007733 LVKLLECJQOJJFG-UHFFFAOYSA-N 356.834 4.420 0 40 FIAB CCN(CC)C(=O)[C@H](OC(=O)c1cc2ccccc2o1)c1ccccc1 7087974 GJRMOUACOOTBOI-LJQANCHMSA-N 351.402 4.199 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 7881825 GARRCBJNWYJSPE-QGZVFWFLSA-N 372.424 4.471 0 40 FIAB COc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8104423 LHBKVYALCDIMTJ-AWEZNQCLSA-N 352.459 4.325 0 40 FIAB C[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccccn1 8132132 CRXKIFFQNRFLNI-HNNXBMFYSA-N 374.469 4.487 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc2ccccc2c1 9038027 CTCRMBZGFZOSHQ-UHFFFAOYSA-N 370.452 4.387 0 40 FIAB Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 10184337 ORVFERNHZLMGLD-UHFFFAOYSA-N 350.491 4.448 0 40 FIAB CC(C)[C@H](NC(=O)CN(C)Cc1cccc(Cl)c1)c1cccs1 11228733 KPUPUVIAPDHYDL-SFHVURJKSA-N 350.915 4.347 0 40 FIAB COc1cc(NC(=O)c2occc2COc2ccccc2)cc(OC)c1 11424219 AAHMIPCQVRKDGG-UHFFFAOYSA-N 353.374 4.128 0 40 FIAB O=C(O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 11887923 FAMMJLSSKHNSJS-RTWAWAEBSA-N 357.409 4.252 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1C 11917202 FRRIZRCGHKLSOA-CYBMUJFWSA-N 371.437 4.367 0 40 FIAB COc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1OC 12188672 YTXUWZNFFBTWBH-UHFFFAOYSA-N 363.461 4.027 0 40 FIAB CSc1ccc(CN(C)Cc2nc(N)c3c(C)c(C)sc3n2)cc1 12536686 BKCUSPSAGRSOPW-UHFFFAOYSA-N 358.536 4.244 0 40 FIAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 12538595 LRPGNUGNFKGIBR-OAHLLOKOSA-N 358.445 4.148 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)COc3ccc(C)c(C)c3)cc2)cs1 12614432 DCENHLZXUCBNBO-UHFFFAOYSA-N 366.486 4.431 0 40 FIAB CN(C(=O)C1CCC(C(=O)N(C)c2ccccc2)CC1)c1ccccc1 12808077 IXKHCAWXUWNMPG-UHFFFAOYSA-N 350.462 4.119 0 40 FIAB CC(C)n1ncc2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cnc21 12860397 BPFRREKTSKLVGA-OAHLLOKOSA-N 362.477 4.382 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O 13070655 GJPFBLKAUHSBGA-CYBMUJFWSA-N 360.816 4.033 0 40 FIAB Cc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Cl)cc1 13613436 PTDAGHYTLXAQSK-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)c1nn2c(=O)c3ccccc3nc2s1 17076176 JIOIUQXZJLMLGQ-NSHDSACASA-N 371.849 4.406 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 17976026 SPWCGBXUJYRIPO-ROUUACIJSA-N 357.450 4.242 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Cl 20029810 YAYPZLOKTTYKNG-JTQLQIEISA-N 360.262 4.042 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)N(C)Cc2ccco2)cs1 22241292 AESWNHSHQDINEZ-UHFFFAOYSA-N 356.447 4.003 0 40 FIAB CCN(C(=O)CCc1cc(OC)ccc1OC)c1nc2ccccc2s1 24831171 CETXLESLYZVZBY-UHFFFAOYSA-N 370.474 4.299 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 25079804 USOYBXMNNQVNJI-UHFFFAOYSA-N 363.314 4.165 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1ccc(SC)cc1 27064690 ASYYZKRKKQZLAO-UHFFFAOYSA-N 369.486 4.359 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 29043889 IRCJFSBGVFTJNM-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1C 30752485 GAQQLYPGWVMJLY-SFHVURJKSA-N 355.478 4.137 0 40 FIAB COC(=O)c1ccc(CN2CCc3sccc3[C@@H]2c2ccccc2)o1 32797362 XPDFLXOFLUAURY-IBGZPJMESA-N 353.443 4.275 0 40 FIAB COc1ccc(NC(=O)CSc2nc3ccccc3cc2C)c(OC)c1 35292438 SORCGBZIXCJUSQ-UHFFFAOYSA-N 368.458 4.291 0 40 FIAB Cc1cc(C)c(C(=O)NC(C(=O)O)(c2ccccc2)c2ccccc2)c(C)c1 38337800 MAXKTXYKFWRSET-UHFFFAOYSA-N 373.452 4.370 0 40 FIAB CCOc1ccccc1NC(=O)CN[C@H](c1ccc(C)cc1)C(F)(F)F 40158318 JHHUEIAAVBHLID-GOSISDBHSA-N 366.383 4.225 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 43739993 CRXFWQDKXHCLLP-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2ccnc2)cc1 44900742 MEMPVFPBYVLSAN-KRWDZBQOSA-N 371.440 4.109 0 40 FIAB CC(C)c1ccc(-c2noc(CCC(=O)NCCc3ccccc3)n2)cc1 45326936 SULUBNIXZUTUGE-UHFFFAOYSA-N 363.461 4.152 0 40 FIAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)Cc1ccc(Cl)cc1 45888401 KRPYUIFVQHBGPJ-UHFFFAOYSA-N 360.870 4.033 0 40 FIAB O=C(NC1CCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078924 AQUGFLPYXGVYNQ-UHFFFAOYSA-N 366.436 4.091 0 40 FIAB Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1C(=O)N1CCCC1 46909778 JGTFOOGMDOCFCQ-UHFFFAOYSA-N 360.816 4.276 0 40 FIAB Cc1cc(-c2noc(CCC(=O)N3c4ccccc4C[C@H]3C)n2)ccc1F 57395544 MTGODMRXHROPBQ-CQSZACIVSA-N 365.408 4.095 0 40 FIAB CCOc1ccc2c(c1)CN(C(=O)Nc1ccccc1N1CCCC1)CC2 58416334 CUZQAQXOKWESTG-UHFFFAOYSA-N 365.477 4.276 0 40 FIAB COCc1c(C(=O)Nc2cccc(-c3noc(C)n3)c2)oc2ccccc12 64330109 FOTOSXLVFQXPJW-UHFFFAOYSA-N 363.373 4.190 0 40 FIAB CN(C)c1ccc(NC(=O)NOCc2ccccc2)c(C(F)(F)F)c1 65993594 AYDVEQNITUKTOH-UHFFFAOYSA-N 353.344 4.025 0 40 FIAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349785 RPMKFQXPSWYQII-OAHLLOKOSA-N 366.852 4.145 0 40 FIAB CCc1cc(N2C[C@H](C)OC[C@@H]2c2ccccc2)nc(-c2ccccn2)n1 75103575 LLZNGCYRUOJXSN-OXJNMPFZSA-N 360.461 4.067 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)NN(Cc1ccccc1)c1ccccc1 89832654 LQAVZKWBXNFSHI-UHFFFAOYSA-N 361.401 4.159 0 40 FIAB CCOc1ccc(CC(=O)NCc2sc(-c3cccs3)nc2C)cc1 90592625 PSKASFBEJLJNNO-UHFFFAOYSA-N 372.515 4.438 0 40 FIAB O=S(=O)(CCCC(F)(F)F)N1CCC(c2c[nH]c3ccccc23)CC1 95452572 QXIWYYMKTTXDLY-UHFFFAOYSA-N 374.428 4.020 0 40 FIAB COCCOc1ccc(CN2CCCCC[C@H]2c2ccncc2)cc1OC 95453817 NOCIBAJKDNGCEX-FQEVSTJZSA-N 370.493 4.233 0 40 FIAB COc1c(C)cccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1cccc(F)c1)C2 100763739 RMRYLCUBISVXIB-WOJBJXKFSA-N 355.453 4.157 0 40 FIAB CCOc1ccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc(OC)cc23)cc1 101170335 VHTVZGVTYHOSDH-XLIONFOSSA-N 370.474 4.028 0 40 FIAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 101277159 NMWJUABCXXSYCZ-INIZCTEOSA-N 363.244 4.354 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102233960 CHITUUTUOMFTAP-JLNYLFASSA-N 360.523 4.127 0 40 FIAB C[C@H]1CCC[C@@H](CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 102309832 IQEOQPCLNGNJLT-JKSUJKDBSA-N 368.481 4.054 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)[nH]2)c1 107618571 NLTITIFLYVTOLG-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB COc1cc(Br)c2[nH]c(-c3ccc(N)cc3Cl)nc2c1 216917691 LKIUPWQLHGAEAR-UHFFFAOYSA-N 352.619 4.237 0 40 FIAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218957020 FFWMAONQMGHJGK-IBGZPJMESA-N 353.462 4.355 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C 223911825 UHWNOQZRSRKIPF-UHFFFAOYSA-N 352.434 4.081 0 40 FIAB COc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c(C)c1C 224288704 BTTCEUXMABVBQF-UHFFFAOYSA-N 374.289 4.097 0 40 FIAB O=C(CCc1ccc(F)cc1)NCc1cccc(CN2CCCCC2)c1 224700555 RFXVQESDBHTPNN-UHFFFAOYSA-N 354.469 4.061 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COCC(C)C 224734876 JZYCYUUNYIMPBE-UHFFFAOYSA-N 371.477 4.197 0 40 FIAB Cn1c(/C=C2/SCCN2C(=O)c2ccccc2Cl)nc2ccccc21 225237618 XGSBRGZVPDWFSV-LDADJPATSA-N 369.877 4.414 0 40 FIAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1N1CCCC1=O 225409571 HPXHIUPXLMEVJV-UHFFFAOYSA-N 360.816 4.096 0 40 FIAB COc1ccc([C@@H](NC(=O)CN2CCc3sccc3[C@H]2C)C(C)C)cc1 245265340 GEVFUEGOLHSNEB-VFNWGFHPSA-N 372.534 4.189 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](Cc3ccncc3)C2)o1 257209942 BSMUZAFZHURPAO-QGZVFWFLSA-N 362.429 4.104 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 408624190 BLHYXPTWLZZBRS-UHFFFAOYSA-N 369.446 4.060 0 40 FIAB CC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C(C)C)ccc3o2)c1 408628156 QCKKYJIRXBGGTN-UHFFFAOYSA-N 369.446 4.157 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 408673411 WVDFPPKXANIHSL-LJQANCHMSA-N 365.473 4.387 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N2Cc3ccccc3-c3ccccc32)cc1 585145828 QLHDAULRHCDGSL-UHFFFAOYSA-N 356.425 4.401 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(Nc3ccc(Cl)nc3)n2)cc1 726975554 BBQHTCANPKHUJS-UHFFFAOYSA-N 372.881 4.281 0 40 FIAB Oc1ccc(Cl)c(CN2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)c1 1620479338 MXXKZVQDSVYYEH-IBGZPJMESA-N 357.816 4.056 0 40 FIAB O=C(O)CCCCCOC(=O)c1cc(-c2ccc(F)cc2F)ccc1O 2060993534 CJQGSIAGLJEOHR-UHFFFAOYSA-N 364.344 4.139 0 40 FIAB Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccc(C(F)(F)F)cc2)cc1 721428 NPEKWIFYQDQJPB-UHFFFAOYSA-N 370.338 4.047 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 1960626 YMXGNEBTBZKMSW-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1OCC 2197769 IFYJBDHACRYZNB-SFQUDFHCSA-N 351.402 4.137 0 40 FIAB CCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2411669 XXLCKHCFONKRND-UHFFFAOYSA-N 374.444 4.340 0 40 FIAB Cc1ccc(-n2ncc3c(SCc4nc5ccccc5[nH]4)ncnc32)cc1 2454158 OMQCGUGZZCTJHP-UHFFFAOYSA-N 372.457 4.293 0 40 FIAB COc1cccc(/C=C/C(=O)NCc2csc(-c3ccccc3)n2)c1 3231085 OFECXXUKSHGVJZ-ZHACJKMWSA-N 350.443 4.148 0 40 FIAB COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(C)cc1)N1CCCC1 3339980 XDMMMCAWRLXGAS-NRFANRHFSA-N 365.473 4.096 0 40 FIAB O=C(Nc1cccc(OC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1 4070465 SUGAOHRPTAMTPL-UHFFFAOYSA-N 353.324 4.436 0 40 FIAB CCOc1ccc(C2=C[C@@H](C(C(C)=O)C(C)=O)c3ccccc3O2)cc1 4116343 HQPCTBWEANYTSL-LJQANCHMSA-N 350.414 4.397 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 4675753 QRQABIYYCZKCRU-UHFFFAOYSA-N 374.824 4.275 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)O)c1 4825630 JNBJCUJCTGTLSM-SNVBAGLBSA-N 368.216 4.406 0 40 FIAB O=C(Nc1nccs1)[C@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1C(=O)O 4946257 UAEKMUHPIUFOAJ-UGUYLWEFSA-N 360.479 4.089 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 5156849 WYHDCTKPQCYJGS-UHFFFAOYSA-N 352.415 4.207 0 40 FIAB C[S@@](=O)c1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 5377751 ISCGHXAFXWZWEF-DEOSSOPVSA-N 352.337 4.160 0 40 FIAB CCN1C(=O)S/C(=C/c2cccc(OCCOc3ccccc3)c2)C1=O 6325799 FVUFZCRVFDRKBH-NBVRZTHBSA-N 369.442 4.201 0 40 FIAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1Cl 6926131 AXBXDJBLKAULHJ-VIZOYTHASA-N 363.797 4.421 0 40 FIAB COc1cc(NC(=O)c2cccc(Cl)c2Cl)cc(OC)c1OC 7006929 IBJXFWQYPYVRCQ-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB O=c1oc2ccccc2n1CN1CCC[C@H](c2nc3ccccc3s2)C1 7142605 SWKDFCZDSZXFTR-AWEZNQCLSA-N 365.458 4.041 0 40 FIAB CN(Cc1nc2ccccc2s1)c1ncnc2sc3c(c12)CCC3 7469543 MNAHMMJMABFSSM-UHFFFAOYSA-N 352.488 4.426 0 40 FIAB Cc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)c(Cl)c1 7535600 RZUYBQUIDRJZMQ-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB Cc1ccccc1CN(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl 7844995 FGXJBGBJAVEIJE-UHFFFAOYSA-N 372.317 4.208 0 40 FIAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1F 8289219 XQFSXVCHIUMTLV-UHFFFAOYSA-N 362.813 4.062 0 40 FIAB FC(F)(F)c1nc(Oc2ccc(-c3nnco3)cc2)c2ccccc2n1 8392606 LMKMJXDMTSNYAZ-UHFFFAOYSA-N 358.279 4.491 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(C)cc1 8477837 ADQZDAJMRCQQNX-SFHVURJKSA-N 361.482 4.341 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl 8704391 QZZVIVJTKMRZBU-LLVKDONJSA-N 361.228 4.447 0 40 FIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 8917100 UPFFRSLNJXJVBU-IBGZPJMESA-N 363.413 4.065 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCCN(Cc2ccc(Cl)cc2)CC1 10382240 FVJRORPMQPCOAZ-UHFFFAOYSA-N 361.848 4.219 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 10684238 DFFXJUBOHLKZCH-UZLBHIALSA-N 368.477 4.319 0 40 FIAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(OC(F)F)cc3)oc2c1 12062875 VFGKROGMYSYYMJ-UHFFFAOYSA-N 359.328 4.264 0 40 FIAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12220094 PZIVHVCYBVRCCG-UHFFFAOYSA-N 371.506 4.340 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 12517306 UQXLJDOATWWLKX-MRXNPFEDSA-N 365.477 4.378 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c(C)c1 12796800 PZGPRBWBHPNZSE-UHFFFAOYSA-N 362.477 4.043 0 40 FIAB CC(C)Cc1nc2oc3c(NCc4ccncc4)ncnc3c2c2c1CCC2 13207042 ARWVUJFVQLFTGY-UHFFFAOYSA-N 373.460 4.465 0 40 FIAB Fc1ccc(OCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)cc1 13682161 GCAWBVKQUPFJOP-UHFFFAOYSA-N 365.393 4.052 0 40 FIAB CCn1nnc2cc(C(=O)Nc3cccc(C4SCCS4)c3)ccc21 15037634 PLIGKQVOINCLEV-UHFFFAOYSA-N 370.503 4.182 0 40 FIAB COc1ccc(-c2noc(CN(C)Cc3ccccc3Cl)n2)cc1OC 15301883 DIARZIDEUSRGAR-UHFFFAOYSA-N 373.840 4.039 0 40 FIAB O=C(Nc1ccc(F)cc1F)N(Cc1cccs1)C[C@H]1CCCO1 18182460 ATZNOOIVQKETFE-CYBMUJFWSA-N 352.406 4.239 0 40 FIAB Cc1nc2nc(SCc3ccccc3)nn2c(O)c1Cc1ccccc1 18240905 ULCQDXMQYHAVBK-UHFFFAOYSA-N 362.458 4.021 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(CCc1cccc(F)c1)C3 20610104 IHGJEODHPXTIFW-UHFFFAOYSA-N 367.420 4.279 0 40 FIAB biogenic O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(Cl)sc1Cl 20627207 CPJNRWRLCUMMBM-UHFFFAOYSA-N 362.181 4.273 0 40 FIAB Cc1ccc(Cn2nc(C)c(NC(=O)c3c(F)cccc3F)c2C)cc1 21574219 ZYXAFPWSXBPMME-UHFFFAOYSA-N 355.388 4.387 0 40 FIAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)CC 22504734 XCGHDHDLLGKSDG-UHFFFAOYSA-N 367.449 4.419 0 40 FIAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23157490 CVLQERGHEUVADM-HSMVNMDESA-N 374.485 4.011 0 40 FIAB CCSc1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 23200082 JDGYRTIEQRNYIU-UHFFFAOYSA-N 354.475 4.077 0 40 FIAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)o1 23952129 BWJFMZJPHYUPFC-CABCVRRESA-N 359.495 4.317 0 40 FIAB C[C@H](NCc1ccccc1Br)c1ccc(-n2ccnc2)cc1 25356286 ZTKHMJOFQKNSIT-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB CC(=O)Nc1ccc(SCc2ccc(C(=O)N3CCCC3)cc2)cc1 25698754 UUTVSLUQNPQXIQ-UHFFFAOYSA-N 354.475 4.173 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCCCCC2)cc1 27989293 MPFBFMYFANYXDX-OAQYLSRUSA-N 354.469 4.481 0 40 FIAB Cc1cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc2n1 27998081 KCNCXMUPFSQMAH-UHFFFAOYSA-N 370.456 4.439 0 40 FIAB CCOCc1ccccc1CNC(=O)c1ccc(F)cc1Br 30178865 FPVTYFUZZWAVRP-UHFFFAOYSA-N 366.230 4.055 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(Cc3ccc(F)cc3)n2)cc1 32827806 LEUSYKMXKJJWPH-UHFFFAOYSA-N 354.450 4.219 0 40 FIAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39759676 SFVKPFIJSRSDQA-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB Cc1nc2ccc(NC(=O)NC[C@H](c3ccsc3)N(C)C)cc2s1 40103253 ZKEUYSDXPYJPBP-OAHLLOKOSA-N 360.508 4.091 0 40 FIAB Cc1noc(C)c1CN(C)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl 43037939 YILFBAPHBOCZKY-NSHDSACASA-N 357.237 4.024 0 40 FIAB CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 47946105 IYVWKGNBKHGFQA-LLVKDONJSA-N 363.364 4.416 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(F)c1 51364547 XGWPRSSOVYDSBW-MRXNPFEDSA-N 362.404 4.293 0 40 FIAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2)c1 52410564 IULPSIVDCJTIED-UHFFFAOYSA-N 367.232 4.359 0 40 FIAB Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1 53921065 GRMZYEZBEYWLGD-UHFFFAOYSA-N 373.481 4.441 0 40 FIAB CCOC(=O)c1c(CN(C)Cc2cccs2)nc2ccccc2c1C 57850707 BUBPYILSFZBFDK-UHFFFAOYSA-N 354.475 4.413 0 40 FIAB Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3cc(F)cc(F)c3)[nH]c2c1 61859953 GWQQEYZFMLCMHP-GOSISDBHSA-N 370.403 4.196 0 40 FIAB O=c1c2sccc2nc(SCc2ccncc2)n1-c1ccccc1 71327533 HXHOJWNFQRBJIW-UHFFFAOYSA-N 351.456 4.135 0 40 FIAB CCCOc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)c(C)c1 71989867 DTGLRZJPTCXITN-UHFFFAOYSA-N 367.474 4.484 0 40 FIAB Cc1nc2cc(C(=O)NC3(c4ccc(F)cc4)CCCC3)ccc2n1C 72346507 HUWCZPLKOWTONS-UHFFFAOYSA-N 351.425 4.220 0 40 FIAB COc1cc(Cl)cc2c1OCC(=O)N(c1cccc(Cl)c1C)C2 75165472 UBYJDGMZQQLUQU-UHFFFAOYSA-N 352.217 4.236 0 40 FIAB COCc1nc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cs1 78483844 WFCFIYJRSFUZKW-UHFFFAOYSA-N 360.385 4.487 0 40 FIAB Cc1cc(Br)cc(C)c1NC(=O)Cn1nc(C)c(Cl)c1C 78648313 TZYXZKLZAQTDTN-UHFFFAOYSA-N 370.678 4.171 0 40 FIAB O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H]1CCc2c(Cl)cccc21 84576643 SDHJRIRPXYHVSX-LJQANCHMSA-N 366.852 4.012 0 40 FIAB Cc1nc(NC(=O)c2cccnc2S)sc1Cc1ccccc1F 89562678 BKNCCHJUEHWZGI-UHFFFAOYSA-N 359.451 4.117 0 40 FIAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccc(Br)o1 90607217 PDDIZVAABVDGBR-UHFFFAOYSA-N 372.222 4.104 0 40 FIAB O=C(Nc1nc2c(s1)CCCCCC2)c1ncccc1C(F)(F)F 92336172 YPGAFFTWIUNGAV-UHFFFAOYSA-N 355.385 4.468 0 40 FIAB CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 95434419 AHSNUGAAJJGNSV-KRWDZBQOSA-N 368.477 4.047 0 40 FIAB Clc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)s1 96296167 FTXILANNUIASJD-AWEZNQCLSA-N 351.903 4.498 0 40 FIAB biogenic,in-vitro Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(Br)cc1 96323985 OSIUFKBENLISLQ-UHFFFAOYSA-N 368.234 4.467 0 40 FIAB CCc1oc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)cc1C 97102759 KEVFKFRQPGEKDF-PBHICJAKSA-N 368.260 4.188 0 40 FIAB Cc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3ncn(C)n3)cc2)c1C 183965800 FTYKZQBBVCTWKK-HXUWFJFHSA-N 360.461 4.076 0 40 FIAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)c(Cl)c1 216303811 DWYBBKWCDCXGFU-UHFFFAOYSA-N 374.849 4.117 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)CC(C)(C)O2 218973516 ONOPFGVITQDURP-HNAYVOBHSA-N 369.461 4.190 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(F)cc1 219038709 ZQDPYWBBBLJOQY-INIZCTEOSA-N 351.421 4.495 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 222869902 BVIWCAYWRJRJTI-MOPGFXCFSA-N 356.539 4.463 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223629952 AWSKCCSWIXRSLL-CVEARBPZSA-N 353.462 4.219 0 40 FIAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1F 223790199 WNBYFOVOSKHJML-UHFFFAOYSA-N 366.179 4.113 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NCCSC2CCCCC2)c1 225357604 YSNZUKWXAJTMRI-UHFFFAOYSA-N 366.552 4.134 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccccc2Cl)c(OC)c1 225539894 NUBPPNWNBYAKGG-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225734911 OJJHMCGEDXRJIB-NRFANRHFSA-N 364.530 4.187 0 40 FIAB COc1ccccc1NC(=O)NCCSCc1cccc(Cl)c1 225765643 ZSGHBVKOJVDYGW-UHFFFAOYSA-N 350.871 4.404 0 40 FIAB Clc1ccc(CN2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)nc1 257272651 NDHQLLXDEKXQRA-KRWDZBQOSA-N 366.856 4.001 0 40 FIAB Cc1cc(N2CCC(CNc3nccc4cc(Cl)ncc34)CC2)ccn1 328578363 JCPZVEYMUHSDQW-UHFFFAOYSA-N 367.884 4.315 0 40 FIAB COCCCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409236729 GYKHNASHOFZEFD-XNTDXEJSSA-N 369.870 4.200 0 40 FIAB O=C1N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)N1c1cccc2cccnc12 552774333 IADLBRMVZTZASR-PKOBYXMFSA-N 371.440 4.170 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(-c2cc[nH]n2)s1 574350795 BOXAFRGRTAFCAX-MRXNPFEDSA-N 354.479 4.234 0 40 FIAB CC[C@H](C(=O)NC[C@H](c1cccs1)n1nc(C)cc1C)c1ccccc1 575610889 QVCMRJZXKPASMO-RBUKOAKNSA-N 367.518 4.461 0 40 FIAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)N2CC[C@]3(CCCOC3)C2)cc1 671199218 IMRIWWFGFUQFTP-PGRDOPGGSA-N 374.525 4.007 0 40 FIAB Cc1nc(CN2CCC[C@H](COc3ncccc3C(F)(F)F)C2)cs1 1776000778 JKIRLMXTELFSBO-ZDUSSCGKSA-N 371.428 4.156 0 40 FIAB CCCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@](O)(C(F)(F)F)C1 845857 OTSPKTHHMGBQNH-KRWDZBQOSA-N 356.388 4.237 0 40 FIAB CCOC(=O)c1cnn2c(C)cc(-c3ccc(OCCC(C)C)cc3)nc12 998838 MSYONGOFLDTPEN-UHFFFAOYSA-N 367.449 4.306 0 40 FIAB CC1CCC(OC(=O)CCC(=O)Nc2ccc(Br)cc2)CC1 1085141 HMCNXCGEOPTOKH-UHFFFAOYSA-N 368.271 4.290 0 40 FIAB CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1Cl 1261441 IGFDWKFTWISJQF-KRWDZBQOSA-N 359.882 4.004 0 40 FIAB O=S1(=O)c2ccccc2N[C@H](c2ccccc2F)N1Cc1ccccc1 1430178 FYQQGKQFGZPPBY-FQEVSTJZSA-N 368.433 4.141 0 40 FIAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccccc3)cc12 1464486 QJAGAZYDEUVGLJ-UHFFFAOYSA-N 351.402 4.366 0 40 FIAB CN(C)CC(CN(C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 1607910 ISNJZZHGBBQZJI-UHFFFAOYSA-N 360.885 4.054 0 40 FIAB CC(C)Cc1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 1745787 YQXJLSDHFZAUED-UHFFFAOYSA-N 370.522 4.111 0 40 FIAB CCCOc1ccc([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)cc1OC 2126751 BSCXKXYPXYVBLR-OAQYLSRUSA-N 366.461 4.209 0 40 FIAB biogenic Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccncc1 2375391 BXLKENHJVAYXLM-UHFFFAOYSA-N 360.442 4.005 0 40 FIAB O=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCOCC1 2750524 TXUSYKMHBLRTCJ-UHFFFAOYSA-N 366.244 4.045 0 40 FIAB COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1 3249913 GTTXWKUJPOPWIF-UHFFFAOYSA-N 365.414 4.297 0 40 FIAB Cc1ccccc1Nc1nc(N)nc(CSc2ccc(Cl)cc2)n1 3279199 DMLHDYWHQWJXTB-UHFFFAOYSA-N 357.870 4.452 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cccc(Cl)c1Cl 3283594 MACFFHZVRFZDSV-NSHDSACASA-N 364.228 4.128 0 40 FIAB CCCC(=O)Nc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1 4704387 HBATZJKGRNOQBT-UHFFFAOYSA-N 369.446 4.296 0 40 FIAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 4816532 VPGIUGGPHWTHEZ-VQTJNVASSA-N 360.461 4.372 0 40 FIAB COc1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1Cl 5688283 BORNCQGHRQIKGS-UHFFFAOYSA-N 358.747 4.418 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1 5804782 XLZDUAINJYIEHW-INIZCTEOSA-N 359.495 4.237 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 6327939 FJRJSGWLLUECFY-UHFFFAOYSA-N 354.431 4.044 0 40 FIAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 6478676 IKOIOKANCNCUFS-WQRHYEAKSA-N 366.442 4.190 0 40 FIAB CN(C)Cc1ccccc1CNc1ncnc2sc3c(c12)CCCC3 6550937 OPGKJXURBXJTLC-UHFFFAOYSA-N 352.507 4.244 0 40 FIAB Cc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2Cl)cc1 7602662 KPEXWDWKHOQYDP-UHFFFAOYSA-N 360.870 4.225 0 40 FIAB CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)CC1 7882043 GIYDDDAWBNYBQL-MBHSVXNSSA-N 369.292 4.041 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(CN2CCCC2)cc1 8328393 PGRUAXKZBROKGR-UHFFFAOYSA-N 361.489 4.013 0 40 FIAB Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccccc1 8476553 FUZKIQPURRHDSN-UHFFFAOYSA-N 360.461 4.305 0 40 FIAB CCn1c(Sc2ncnc3ccsc23)nnc1-c1ccc(OC)cc1 8705964 WDIAEYZHSRACSF-UHFFFAOYSA-N 369.475 4.130 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 8728932 RMEKGLXYKYAWRS-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB C[C@H](Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1)c1ccccc1 9095468 QDRDYQFRLXCYKA-CYBMUJFWSA-N 355.438 4.205 0 40 FIAB Cc1cc(C(=O)Nc2cccc(Br)c2)c2cnn(C(C)C)c2n1 11764564 RCKBKEWJJANARZ-UHFFFAOYSA-N 373.254 4.335 0 40 FIAB O=C(Cc1ccc(F)cc1Cl)N1CCC(c2cc3cccnc3[nH]2)CC1 12133462 YOVFOJHOCTXKOR-UHFFFAOYSA-N 371.843 4.304 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@H](CC(CC(=O)NC(C)(C)CO)(C4)C2)C3)cc1 12528800 YQYNCQPCZQDQMP-WVKNIADZSA-N 355.522 4.110 0 40 FIAB Cc1cc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccc1Cl 12627242 DEODSCKRRRUWJL-SFHVURJKSA-N 369.852 4.267 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccccc1 12977341 NSERWAQYZMQFKR-MRXNPFEDSA-N 363.244 4.237 0 40 FIAB COc1ccc(Cc2nnc(SCc3ccccc3Cl)n2C)cc1 14091550 SIQLDPMLXZFYEO-UHFFFAOYSA-N 359.882 4.360 0 40 FIAB CCOc1c(Br)cc(C(=O)Oc2cccc(F)c2)cc1OC 14168673 MIAVKJFBKQZQHA-UHFFFAOYSA-N 369.186 4.215 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)c2cccnc12 15840784 MKGJMHZOBKRITI-CYBMUJFWSA-N 354.381 4.179 0 40 FIAB O=C(NCCc1ccc(N2CCCC2)cc1)c1ccccc1C(F)(F)F 16847204 XMHXAASHHBQAED-UHFFFAOYSA-N 362.395 4.278 0 40 FIAB C[C@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C[C@@H](C)O1 17325744 OERODXDUQZBQIX-GASCZTMLSA-N 359.853 4.168 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Cl)c(Cl)c1 18114250 LEWYTOHCCMDQJL-UHFFFAOYSA-N 362.216 4.440 0 40 FIAB Cc1ccc(NCC(=O)Nc2cccc3nsnc23)cc1C(F)(F)F 19101454 LFBVTVBRYBFKFH-UHFFFAOYSA-N 366.368 4.069 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(F)cc1 20459007 GAQUJNNNYYHQFL-AUUYWEPGSA-N 372.440 4.150 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)c1cc2ccccc2cc1OC 20491873 ANTQYNZBJCLIAU-LJQANCHMSA-N 354.494 4.233 0 40 FIAB Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(F)ccc21 22236284 JDNFGPLMSQRJPG-UHFFFAOYSA-N 365.191 4.237 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(Cl)ccc1C)cn2C 22237197 MYUBEVZLNRQMJI-UHFFFAOYSA-N 370.836 4.151 0 40 FIAB O=C(CCSc1ccc(F)cc1)NC1CCN(Cc2ccccc2)CC1 22407115 DSWILEAEKFHVCV-UHFFFAOYSA-N 372.509 4.089 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(C)c(C)n2C[C@@H]2CCCO2)c(C)c1 24513263 WKPZCXKZONTALG-KRWDZBQOSA-N 373.522 4.027 0 40 FIAB Cc1nc(SC2c3ccccc3-c3ccccc32)sc1CC(N)=O 24901860 BMINFYZPCRRIFW-UHFFFAOYSA-N 352.484 4.341 0 40 FIAB COCc1cccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1 25335195 UFRHULSFWAOUGE-UHFFFAOYSA-N 357.413 4.424 0 40 FIAB Cc1cnc2c(S(=O)(=O)N[C@@H]3CCSc4ccccc43)cccc2c1 32444902 WXGHUOIOEJFBEC-MRXNPFEDSA-N 370.499 4.059 0 40 FIAB Cc1nc2c(-c3cccs3)nc(=O)n(CCc3ccccc3)c2s1 32616324 IAEBWQQBXNYEAO-UHFFFAOYSA-N 353.472 4.133 0 40 FIAB COc1ccc(C(=O)NCc2ccccc2COCc2ccccc2)cc1 36395764 JZWNIYGKKPGDJV-UHFFFAOYSA-N 361.441 4.342 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)s1 39989148 JFXBESWVYYVCNL-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB O=C(CCc1nc2ccccc2s1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 40039835 MQEKCQWBLQGOSA-VXGBXAGGSA-N 356.413 4.466 0 40 FIAB C[C@@H](Cc1ccco1)NC(=O)c1ccccc1OCc1ccc(F)cc1 40074723 XYRCZYOPYUFQER-HNNXBMFYSA-N 353.393 4.359 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@@H](c1cccs1)C1CCCC1 40120986 FEHDKHOMWTVICY-GOSISDBHSA-N 367.478 4.382 0 40 FIAB Cc1cccc(NC(=O)NCC(=O)N[C@H](c2ccccc2)C2CCCC2)c1 40152022 NBYVHLDBNCUSHX-OAQYLSRUSA-N 365.477 4.164 0 40 FIAB Nc1oc(-c2ccccc2F)nc1-c1nnc(C(F)(F)c2ccccc2)o1 41154186 WZNGWAJITNTSCD-UHFFFAOYSA-N 372.306 4.253 0 40 FIAB COc1ccc(NC(=O)N[C@H](C)CCc2ccccc2)cc1OC(F)F 43995605 GRINLHZLMOPYAA-CYBMUJFWSA-N 364.392 4.439 0 40 FIAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3OC(C)C)CC2)c1 48193558 AODLHSQIFKMRRD-UHFFFAOYSA-N 353.466 4.136 0 40 FIAB C[C@H](Sc1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(F)cc1 48325681 NJENWBRFBMPXPE-ZDUSSCGKSA-N 356.422 4.278 0 40 FIAB CCn1cc(NC(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cn1 48350567 LNZKEEFAMHVZFX-UHFFFAOYSA-N 371.828 4.174 0 40 FIAB CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 48356517 JQSISRLYWWPFID-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB Cc1oncc1C(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 54269562 PHBNMTDTLGNWGF-UHFFFAOYSA-N 373.771 4.280 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)c3ccccc3Oc3ccccc3)C2)n1 54661506 VEIKKNXSTCLQTH-MRXNPFEDSA-N 363.417 4.190 0 40 FIAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc2nsnc2c1 57313369 NLYLXSJFFCEHIJ-UHFFFAOYSA-N 373.397 4.147 0 40 FIAB Cc1cc(C)n(Cc2cccc(C(=O)N[C@H](C)c3cccc(F)c3)c2)n1 58015830 SRZKLWMQVMGCKU-MRXNPFEDSA-N 351.425 4.178 0 40 FIAB CC[S@](=O)c1ccccc1C(=O)OCc1ccc(OC(F)(F)F)cc1 58634255 GNEDKBWJEAQNRR-RUZDIDTESA-N 372.364 4.070 0 40 FIAB CCN(C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1)c1cc(C)cc(C)c1 62582601 JDLDWMKSQAOUOX-NRFANRHFSA-N 352.478 4.232 0 40 FIAB Cc1cc(SCC(=O)Nc2ccccc2)nc(-c2ccc(F)cc2)n1 67257183 RIXDBMOUQQSXGP-UHFFFAOYSA-N 353.422 4.322 0 40 FIAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccccc3F)[nH]n2)cc1 72331556 FNGYOZVEZSPUCD-UHFFFAOYSA-N 367.424 4.325 0 40 FIAB CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1 72336008 CAWOBNGZOZSNFV-UHFFFAOYSA-N 356.514 4.416 0 40 FIAB COc1ccc(-c2nc3cnccn3c2NCc2cccs2)c(OC)c1 72341896 ODWBJFVDVMKLCA-UHFFFAOYSA-N 366.446 4.087 0 40 FIAB C[C@H](CO)N(Cc1ccccc1)Cc1c(C(C)(C)C)[nH]c2ncccc12 72393646 VBVGXFJXAIJNIO-MRXNPFEDSA-N 351.494 4.243 0 40 FIAB CCCCN(C)CC1CCN(c2ncc(Br)cc2C)CC1 75105850 XCZBXYXBMYJIBJ-UHFFFAOYSA-N 354.336 4.101 0 40 FIAB O=C(Nc1ccccc1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165909 YNSAUPOZPNVQDV-QZTJIDSGSA-N 353.422 4.368 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cnc(C)n1-c1ccccc1 78899820 IAEHLLAADLGENX-QGZVFWFLSA-N 351.475 4.392 0 40 FIAB Fc1cc(Br)ccc1NCc1noc(-c2ccsc2)n1 84501553 PSWOLRMIPSIUNK-UHFFFAOYSA-N 354.204 4.312 0 40 FIAB C[C@H](NC(=O)Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCO2 84651794 WQSMXNDVDXTEBE-LBPRGKRZSA-N 367.430 4.422 0 40 FIAB C[C@H]1CN(C(=O)c2csc(-c3cc4ccccc4o3)n2)CC(C)(C)O1 95957351 ZUWUZLCKJWNFKV-LBPRGKRZSA-N 356.447 4.196 0 40 FIAB Cc1cccc(-c2nn3c(O)cc([C@H](C)Cn4nccc4C)nc3c2C)c1 100775687 RBYVAXALVSZVBS-CQSZACIVSA-N 361.449 4.027 0 40 FIAB Cc1cc(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(C)n1C1CC1 103867585 HEEOVJYVPRPZIJ-VGSWGCGISA-N 372.509 4.024 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N2CCCC2=O)cc1 216291536 IWXNGECWZYDFDP-QGZVFWFLSA-N 372.852 4.263 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1C 218961504 QNJGARHQKFMNIP-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1 222737400 QVLWLOQNYJOFPX-UHFFFAOYSA-N 368.502 4.103 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(F)cc2)cn1 223947737 JOSQILOZSMLTPP-AWEZNQCLSA-N 358.486 4.086 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 223977620 GXSLHKQFSSRLMM-UHFFFAOYSA-N 353.399 4.395 0 40 FIAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)c1 224518098 UDBXGRHNGJVBOP-RBUKOAKNSA-N 365.458 4.169 0 40 FIAB COCc1cccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 224533544 NGTSYWVZLQFDAX-UHFFFAOYSA-N 372.896 4.337 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 225454862 NICFZAGPKZOGFR-UHFFFAOYSA-N 366.490 4.146 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccccc1 225817323 VPLIYQGVAAPQKO-GOSISDBHSA-N 359.491 4.004 0 40 FIAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2cccc(C)c2)cc1 408848614 XJZDBWMRZCDOCZ-RCCKNPSSSA-N 369.424 4.233 0 40 FIAB CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)c2ccccc21 409120513 WDQTVYKKBGMVCO-PTNGSMBKSA-N 358.235 4.365 0 40 FIAB Cc1cc2nc3s/c(=C\c4ccc(-c5ccccc5)o4)c(=O)n3c2cc1C 409389810 CIMKLHZACOBLLZ-NDENLUEZSA-N 372.449 4.334 0 40 FIAB CCS(=O)(=O)c1ccc(N2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)cc1 509479556 YZJZBWBPXMBWIS-FNLKRUPLSA-N 355.503 4.395 0 40 FIAB CC[C@H](C(=O)NC[C@H](c1ccsc1)n1nc(C)cc1C)c1ccccc1 575613334 FTXANIUVDACQJM-VQTJNVASSA-N 367.518 4.461 0 40 FIAB CCOC(=O)c1c(O)nc2ccccc2c1NCc1ccc(Cl)cc1 575615896 KUPNOSADCJISMH-UHFFFAOYSA-N 356.809 4.383 0 40 FIAB Cc1nc(Nc2ncc(-c3ccccc3)s2)cc([C@@H]2CCCNC2)n1 585263273 UMLRGCQGXBOHJB-OAHLLOKOSA-N 351.479 4.119 0 40 FIAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccccc1C(F)(F)F 585300113 KFCHGYRGRXGFHX-UHFFFAOYSA-N 363.383 4.087 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([C@@H](C)O)cc1 585655903 MIRGLMHHZWHYAJ-MNOVXSKESA-N 354.233 4.453 0 40 FIAB Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C 626502324 JYVBOMCKSPNAKB-TZMCWYRMSA-N 366.387 4.061 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)co1 682822152 MMKQACXPMWVTHF-GOSISDBHSA-N 353.397 4.485 0 40 FIAB O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc2cc(F)ccc2[nH]1 1629935249 XJJUZGWPKMRYJJ-UHFFFAOYSA-N 356.307 4.228 0 40 FIAB O=C(COc1ccc(F)cc1)NCCc1ccc(-c2cccs2)s1 1889278290 VRTJPVCDZBZGRW-UHFFFAOYSA-N 361.463 4.353 0 40 FIAB Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)cc1Cl 794536 SNOPWBIPXIYEHI-CYBMUJFWSA-N 351.233 4.091 0 40 FIAB CCc1nc(-c2ccc(OC)c(OC)c2)cc2cc(OC)c(OC)cc12 856168 ZPFSDHHSBZSESO-UHFFFAOYSA-N 353.418 4.499 0 40 FIAB biogenic Cc1ccc(S(=O)(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1 1040685 SMMQLXXXYAJFIU-UHFFFAOYSA-N 365.669 4.261 0 40 FIAB COc1ccc(/C=C/C(=O)N2c3ccc(F)cc3CC[C@@H]2C)cc1OC 1480309 QUVISSHTXPZZKX-MUAYPFOZSA-N 355.409 4.224 0 40 FIAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N1c2ccc(F)cc2CC[C@@H]1C 2782043 HYZRSSPMDBXJFS-VIFPVBQESA-N 371.790 4.290 0 40 FIAB COc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccncc3)cc2)no1 2931043 RGZKRVJTFPFIIY-UHFFFAOYSA-N 372.384 4.060 0 40 FIAB CCO/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 3220813 MNKBUXYWTDGDDQ-LFIBNONCSA-N 361.319 4.270 0 40 FIAB COc1cccc(/C=C/C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1OC 3229799 FASKUUAIQUVAIH-VOTSOKGWSA-N 373.277 4.051 0 40 FIAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1cccc(C(F)(F)F)c1 3249996 WGDJYIGFLWALDE-UHFFFAOYSA-N 374.318 4.049 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccccc1Br 3368701 DGBYYFVISUNRAK-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB O=C(COc1ccc(Br)cc1F)Nc1cccc(Cl)c1 3404380 QQTHYVBCUPAUHN-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB COCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C 3503870 UAZNIWWJUPYNTI-UHFFFAOYSA-N 360.504 4.336 0 40 FIAB O=C(Nc1nc2ccc(Br)cc2s1)[C@H]1C[C@H]2CC[C@@H]1C2 4162995 TXCYXHLIVICUCX-NGZCFLSTSA-N 351.269 4.434 0 40 FIAB C[C@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccccc1-c1ccccc1 4520569 LYZNJIQOYWFAJF-APWZRJJASA-N 365.477 4.313 0 40 FIAB O=C(c1ccccc1)n1c(-c2ccc(F)cc2)nc2cc3c(cc21)OCCO3 5531607 PGQHPKBQIHMJGB-UHFFFAOYSA-N 374.371 4.302 0 40 FIAB COc1ccccc1-c1nc2c3c(C)c(C)n(Cc4ccco4)c3ncn2n1 6759564 XZINAVAPWBWSCH-UHFFFAOYSA-N 373.416 4.013 0 40 FIAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 7882144 MVOCRKXGYOYJPB-VQIMIIECSA-N 358.441 4.388 0 40 FIAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1ccsc1 7927046 UNQOIPFTWCUWQW-LLVKDONJSA-N 358.385 4.106 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 8497826 YMTHKWPTRIQZFI-KRWDZBQOSA-N 368.477 4.095 0 40 FIAB C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccc2ccccc2c1 8987601 DAJFTAZTMRCHSV-MRXNPFEDSA-N 361.445 4.229 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)cc1 9952930 BVUPVNVNRZOXHD-IBGZPJMESA-N 363.413 4.169 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1csc(-c2ccccc2)n1 10898161 DVBZWVLDKXHEJP-UHFFFAOYSA-N 374.469 4.268 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cnn(Cc2ccccc2)c1 12553848 FUEXCEQJMGHHFL-UHFFFAOYSA-N 360.461 4.174 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1 12740777 BQBGPHGVTOGXRD-UHFFFAOYSA-N 351.446 4.047 0 40 FIAB CON(C)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 12809292 QYNLRTNYOHRIET-UHFFFAOYSA-N 371.234 4.298 0 40 FIAB Cc1cc(C)c(NC(=O)CCCNC(=O)c2cccs2)c(Cl)c1 12816731 MENKHDOIBZNZTN-UHFFFAOYSA-N 350.871 4.167 0 40 FIAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc(C)cc2C)cc1 14082956 PVEBJRSFKUUALY-UHFFFAOYSA-N 352.459 4.141 0 40 FIAB C[C@@H](OC(=O)c1ccnc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 14184351 YLNFWHLTYUCANB-MRVPVSSYSA-N 373.623 4.226 0 40 FIAB O=C(NCCSc1ccccc1)c1cc(Cl)c2c(c1)OCCCO2 15136968 PHVHMTBEWRQLAB-UHFFFAOYSA-N 363.866 4.023 0 40 FIAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)c1 17122786 YKSSBHDJIUVGOV-VBQJREDUSA-N 370.522 4.181 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(O)cc3)s2)cc1 18272517 PXIRQXSYOWGVMS-UHFFFAOYSA-N 372.475 4.027 0 40 FIAB Cc1cccnc1C(=O)N1CCC(c2nc(C)n3c(C)c(C)sc23)CC1 19237605 ODMMPISOGSKVSZ-UHFFFAOYSA-N 368.506 4.044 0 40 FIAB Cc1cccc(CN(Cc2ccccc2)C(=O)Cc2ccc3[nH]cnc3c2)n1 19654709 QPVMNJCRTKCIPX-UHFFFAOYSA-N 370.456 4.038 0 40 FIAB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1OCC 20035116 ZBDUIJQSNRAKCW-HNNXBMFYSA-N 359.441 4.433 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)C 20490424 FWAPNZFZMVXIGZ-MRXNPFEDSA-N 368.477 4.041 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)c1ccccc1 20890276 GTQFIKJHXPKZTG-UHFFFAOYSA-N 353.853 4.478 0 40 FIAB Cc1ccc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1C 23574971 NEOQXHQLZMVLDG-FQEVSTJZSA-N 350.487 4.483 0 40 FIAB COc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 24346685 FXNGJECLXXFEQC-UHFFFAOYSA-N 353.447 4.050 0 40 FIAB Cc1ccc(SCCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 24389495 JKXCGLALICJASE-UHFFFAOYSA-N 368.546 4.389 0 40 FIAB CCCc1noc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1 24753883 MMQNRFZCSWHKBZ-UHFFFAOYSA-N 351.406 4.386 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 26392443 YZCASZNJTOUOQL-OLZOCXBDSA-N 363.841 4.002 0 40 FIAB C[C@@H](Nc1ccc2c(c1)CCO2)C(=O)Nc1ccccc1C(F)(F)F 28343923 AFDMUIPBHIWCRI-LLVKDONJSA-N 350.340 4.079 0 40 FIAB CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@H](c2ccccc2)C1 30029009 KQXSLKPAQZJJQM-QFIPXVFZSA-N 361.489 4.006 0 40 FIAB Cc1[nH]c2ccc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2c1C 30129190 KBYKQEBWBHXXFC-UHFFFAOYSA-N 361.445 4.159 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CCOCC1 32657978 XAZBKRREBNXNKH-UHFFFAOYSA-N 364.272 4.358 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c(C)c1 32669922 KXHBZVIBPNZIGK-OIISXLGYSA-N 363.523 4.022 0 40 FIAB O=C(CCc1ccc(Cl)cc1)N(Cc1ccccn1)[C@@H]1CCSC1 32817463 KMOUJDXYNMDOJS-GOSISDBHSA-N 360.910 4.202 0 40 FIAB O=C(Cn1c2c(c3ccccc31)CCC2)N1CCCC[C@H]1c1cccnc1 36708620 QGLNILWYVUKLLB-FQEVSTJZSA-N 359.473 4.279 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(N2CCCC2=O)cc1 36748263 UQCGGKDYELZEPX-UHFFFAOYSA-N 361.445 4.256 0 40 FIAB CC(C)CCn1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 40397230 BNDXJOPFTGEKFJ-UHFFFAOYSA-N 366.852 4.411 0 40 FIAB COc1cccc(-c2nc(C)c(C(=O)Nc3nnc(C4CC4)s3)s2)c1 44901262 DYQIDHIUWNSAHH-UHFFFAOYSA-N 372.475 4.108 0 40 FIAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1 48341580 JMXFLRGCLQSYLY-HDICACEKSA-N 354.494 4.007 0 40 FIAB Cc1c(C(=O)Nc2ccc(N3CCCC3)c(F)c2)oc2c1C(=O)CCC2 55778040 DDIMFNMFWHNZFT-UHFFFAOYSA-N 356.397 4.099 0 40 FIAB O=C(Nc1cccc(CN2CCCC2=O)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 58224816 HYXKPJPRXAATPN-RBUKOAKNSA-N 368.864 4.205 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)n1 58343495 XURVBHNBPFDTRG-SNVBAGLBSA-N 355.225 4.096 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2)n1 61115482 FVBXCWDHMNVWEM-UHFFFAOYSA-N 367.880 4.474 0 40 FIAB Cc1ccc(-c2cc(NC(=O)c3cc(-c4cccs4)on3)[nH]n2)s1 65474916 DJBIRYJDAVTXEP-UHFFFAOYSA-N 356.432 4.415 0 40 FIAB Cc1cc(C)n(CC(=O)Nc2cccc(CO[C@@H]3CCC[C@@H](C)C3)c2)n1 68776209 HKWJPZOYDCWUBK-FOIQADDNSA-N 355.482 4.234 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)cc1 72229586 HQHZEGZXFVGHQF-UHFFFAOYSA-N 359.857 4.173 0 40 FIAB Cn1ccnc1-c1cnc(NCc2ccccc2F)nc1-c1cccs1 72340776 PUJGZFAYWMTRQI-UHFFFAOYSA-N 365.437 4.357 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 80330311 ZLVYCEWABNTTIP-MGPUTAFESA-N 374.481 4.025 0 40 FIAB COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccc(Cl)cc1 83314003 BEVMZHVZICPMOZ-ZHPXHHGESA-N 359.765 4.215 0 40 FIAB Cc1nn2c(COC(=O)/C=C/c3cccc4ccccc34)c(C)nc2s1 95444280 GEWFZFVKHMCREM-ZHACJKMWSA-N 363.442 4.317 0 40 FIAB COc1ccc([C@@H]2CCCCN(C(=O)c3ccc4nccnc4c3)C2)cc1 206884953 HAEUKGRVTPIYQG-GOSISDBHSA-N 361.445 4.048 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)n2cc(C(=O)O)c3ccccc32)c1 218739608 KRUIFVVEQQBOCY-UHFFFAOYSA-N 351.402 4.491 0 40 FIAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)c1 224518307 KHSJHZJXKMYXKG-ZWKOTPCHSA-N 367.499 4.329 0 40 FIAB CCCC(=O)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225257150 BIZGLDDUEZMIJA-GZTJUZNOSA-N 359.520 4.429 0 40 FIAB Cc1cccc2cc(C(=O)Nc3ccccc3Br)c(=O)oc12 226034604 XTAGGWSAYHJGMU-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@H](c2cc(-c3ccccc3C(=O)O)ccn2)C1 257240784 HVFIIUWCLNYRGG-INIZCTEOSA-N 366.461 4.199 0 40 FIAB COc1ccc(Oc2ccc(N=C/C(Cl)=C(/Cl)C(=O)O)cn2)cc1 257354291 WXNQMVWOXVTWIR-BRURQMTMSA-N 367.188 4.359 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2)C1 408657086 IKGCGGBTCZIAMW-DLBZAZTESA-N 351.446 4.467 0 40 FIAB Cc1ccc2cc(C(=O)Nc3ccc(N4CCCC4=O)c(F)c3)ccc2n1 533450554 BAUYXOLQBZWBQH-UHFFFAOYSA-N 363.392 4.061 0 40 FIAB COc1cccc(C[C@@H]2CCCN2C(=O)Nc2cnn(CC(C)C)c2C)c1 536580192 NEZISDOZMDJWPP-SFHVURJKSA-N 370.497 4.095 0 40 FIAB C[C@@H]1c2c(F)cccc2CCN1C(=O)Nc1cccc(OCC(F)F)n1 545908767 XJMDNTDEGNQKRW-LLVKDONJSA-N 365.355 4.016 0 40 FIAB Cc1cc(S(=O)(=O)Nc2cccc3cc[nH]c23)ccc1Br 547822238 OKLCTLAJNKXUJR-UHFFFAOYSA-N 365.252 4.040 0 40 FIAB CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(O)cc(C(F)(F)F)c1 566829668 WMXQYAYXVGOFEN-CQSZACIVSA-N 356.731 4.261 0 40 FIAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc(OC(F)(F)F)cc1 575618941 RSUZZOBFXVWOHO-UHFFFAOYSA-N 362.307 4.170 0 40 FIAB O=C(C[C@H]1CCCCO1)N1CCCCCCCc2ccccc2OCC1 643584434 MOHZDCNIORHYMX-HXUWFJFHSA-N 359.510 4.360 0 40 FIAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)N1CC2CCC1CC2 1116467366 AINXSPWWURYBFY-UHFFFAOYSA-N 359.473 4.028 0 40 FIAB Brc1ccc2c(c1)[C@H](C1=NCCN1)c1ccccc1CS2 717520 JEXBWNOUCUFHHS-MRXNPFEDSA-N 359.292 4.188 0 40 FIAB Cc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 1398442 WMFUNMBQFQPWFV-UHFFFAOYSA-N 363.486 4.440 0 40 FIAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc2cn[nH]c12 1430707 VERHIVLYHUAKRX-UHFFFAOYSA-N 373.478 4.060 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COc1ncnc2sc(C)c(C)c12 3305278 ZUDBDILDTZOOPI-UHFFFAOYSA-N 351.431 4.360 0 40 FIAB Cc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)s1 3326366 CTORZRALVDWNHD-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB Cc1ccc(-c2csc3nc(CN4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c23)cc1 3350338 KBDRHUZZQHFZJX-HUUCEWRRSA-N 367.518 4.438 0 40 FIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)o1 3407873 TUTWFXXBQLAGON-FNORWQNLSA-N 354.189 4.090 0 40 FIAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1F 3490905 RGKDKJSCCBEDQZ-UHFFFAOYSA-N 374.466 4.020 0 40 FIAB Cc1cccc(C)c1NC(=O)C1(NC(=O)c2ccccc2)CCCCC1 4592221 NEEFWAQQVLZYKK-UHFFFAOYSA-N 350.462 4.375 0 40 FIAB Cc1cc(C)cc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)c1 4857738 LVOUSKOBBRMXTP-UHFFFAOYSA-N 373.566 4.161 0 40 FIAB O=C(CCn1c(=O)sc2ccccc21)Oc1ccc(Cl)cc1Cl 5234828 XHODPJBHIJPCML-UHFFFAOYSA-N 368.241 4.366 0 40 FIAB COc1ccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1OC 5321597 HNHWUUZVRGYAAB-HIGJEIRPSA-N 359.510 4.407 0 40 FIAB O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 5882617 MJDPELULEMYNCS-QBTDHISASA-N 356.425 4.338 0 40 FIAB CCC(=O)Nc1ccc(C2=NN=C(N[C@H]3CCCC[C@@H]3C)SC2)cc1 5981394 DCNNMMRVBTWAFT-BBRMVZONSA-N 358.511 4.010 0 40 FIAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccc(Cl)c(Cl)c1 6004842 QOYSNDDIBRHQBM-UHFFFAOYSA-N 373.257 4.062 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 6206807 HJPLWCUMDKFEGN-UHFFFAOYSA-N 360.822 4.379 0 40 FIAB CCOc1ncccc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 6300855 GWRUNWUGIKEJGJ-UHFFFAOYSA-N 365.360 4.070 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 6623258 XJZXTUZMAOKIEE-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB Cc1[nH]c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1C 6672517 ZDNJZXOKTKIUND-UHFFFAOYSA-N 367.880 4.401 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(F)c1)S[C@@H](C)C(=O)N2 6678886 MGNGJNTUOUSTRJ-SCLBCKFNSA-N 367.449 4.483 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1CCCC2 6706920 MHGZYFHPCFLDLX-UHFFFAOYSA-N 351.855 4.028 0 40 FIAB COc1cccc(CNC(=O)c2sc(-c3ccc(C)cc3)nc2C)c1 6764208 WPSZLAIDXGWGEU-UHFFFAOYSA-N 352.459 4.366 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7471662 GQNHLPSGWXOGKP-UHFFFAOYSA-N 363.389 4.264 0 40 FIAB Cc1cc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)n1C1CC1 7642061 GLIXSVUBLNIFEK-LFYBBSHMSA-N 363.461 4.219 0 40 FIAB CCc1ccc(-c2noc(CSc3nnc(NC4CC4)s3)n2)cc1 7720649 HNFFYVNNSBDCEK-UHFFFAOYSA-N 359.480 4.017 0 40 FIAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 8782402 GYBNDMDHOMFUQB-UHFFFAOYSA-N 368.433 4.085 0 40 FIAB Cc1nc(=O)c(-c2ccccc2)c(C)n1CCc1c[nH]c2ccc(F)cc12 9183903 JVPXBQVPWMHHNE-UHFFFAOYSA-N 361.420 4.390 0 40 FIAB CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2c(C)cc(C)cc21 9938171 DFEBOVQQDOOYJY-UHFFFAOYSA-N 355.507 4.358 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 10684222 SYPWGNAFOWRAJG-IAGOWNOFSA-N 368.477 4.238 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842487 DNATXBOTDWKVEI-CYBMUJFWSA-N 371.868 4.436 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 11656809 FYBCOHJUPZYOEF-UHFFFAOYSA-N 351.406 4.004 0 40 FIAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)O)cc1 11666862 SUWFEZOGTNKAEH-UHFFFAOYSA-N 353.349 4.355 0 40 FIAB COc1ccc(C2(NCc3cncn3Cc3ccccc3)CCCC2)cc1 12143847 HRVLLJRIOVCJTN-UHFFFAOYSA-N 361.489 4.499 0 40 FIAB O=C(Cc1ccc2ccccc2c1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12538615 KHUZMGFEKCLQFW-NRFANRHFSA-N 355.441 4.206 0 40 FIAB Cc1nc(C(C)(C)C)nc2sc(C(=O)N[C@@H](C)c3cccnc3)c(C)c12 12588041 SFKJYYXTNNUYQN-LBPRGKRZSA-N 368.506 4.492 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1OC[C@H]1CCCO1 12749627 UYNVVDUIZLPCFN-OAHLLOKOSA-N 363.360 4.098 0 40 FIAB O=C(c1ccc2ccccc2c1)N1CCCN(Cc2ccc(F)cc2)CC1 12765327 ODQULQFRXRHSFA-UHFFFAOYSA-N 362.448 4.327 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccccc1C(F)(F)F)c1ccccc1 12778419 IDDORQSOLHCVAY-CQSZACIVSA-N 350.384 4.015 0 40 FIAB CCn1c(SCC(=O)c2cc(C)ccc2C)nc2ccsc2c1=O 12888710 SEIBIWSAJHGKPM-UHFFFAOYSA-N 358.488 4.070 0 40 FIAB Cc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1C(F)(F)F 12913990 ZCTQWFSQHJAJDG-UHFFFAOYSA-N 350.340 4.422 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccccc2Cl)c1 13709799 IZCYDVYOFUKWFM-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccs1 13777823 SXEDWOFPDSQIOH-UHFFFAOYSA-N 354.475 4.341 0 40 FIAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1cccc(Br)c1 15363575 KTGIKWDIIADDFT-LBPRGKRZSA-N 364.239 4.254 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N(C)C)o1 15860359 ONNUATXKSSOXNI-HNNXBMFYSA-N 360.841 4.329 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N[C@@H](C)c3ccccc3Cl)cc2NC1=O 16017363 LNNMOTFUKZTEJW-QWRGUYRKSA-N 360.866 4.264 0 40 FIAB C[C@@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F 16538102 GBCLJEKJWQSION-GFCCVEGCSA-N 371.339 4.409 0 40 FIAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[C@@H]2CCCC[C@@H]2C1 19405572 RESBUGNCGFBAKO-FUHWJXTLSA-N 372.472 4.344 0 40 FIAB CCCN1CCC[C@@](O)(c2nc(C)c(COc3ccccc3)s2)CC1 19705248 IUJBFXBXCAPILP-FQEVSTJZSA-N 360.523 4.114 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCCSC2CCCCC2)cc1 20460250 AKGGLQVBGYXMTB-AWEZNQCLSA-N 353.553 4.358 0 40 FIAB CN(C)CCNCc1ccccc1OCc1ccc(Cl)cc1Cl 22075035 FPTJGQMZRXVFSI-UHFFFAOYSA-N 353.293 4.224 0 40 FIAB COC(=O)CSc1nc(-c2cccs2)nc2sc(C)c(C)c12 22342412 UDBYVVGAJZYHBO-UHFFFAOYSA-N 350.490 4.302 0 40 FIAB COc1cccc(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)c1 27662809 XXWKHPOMZPVWDD-UHFFFAOYSA-N 367.405 4.032 0 40 FIAB COC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1-c1ccc(F)cc1 27698738 LHOPWNINFSTDFY-UHFFFAOYSA-N 370.405 4.297 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1cc2cc(Br)ccc2o1 28250444 JHCZOZICBMEJKF-UHFFFAOYSA-N 364.224 4.177 0 40 FIAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 28411333 GPJYGZUBVNPOAA-MRXNPFEDSA-N 364.445 4.065 0 40 FIAB O=C(NC(C1CC1)C1CC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 29384050 DBTZHIXUAOCJQX-FQEVSTJZSA-N 361.441 4.059 0 40 FIAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 30757541 RRWQOZJLISDOSN-QGZVFWFLSA-N 355.478 4.335 0 40 FIAB C[C@@H](OCC(F)(F)F)C(=O)NCC(C)(c1ccccc1)c1ccccc1 31711499 NKZCMGAYCODXGH-OAHLLOKOSA-N 365.395 4.076 0 40 FIAB CC(=O)Nc1ccc(CC(=O)NCc2cccc(Oc3ccccc3)c2)cc1 32362309 RQTLIRWSERCQJY-UHFFFAOYSA-N 374.440 4.296 0 40 FIAB COc1ccc(CCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 32772459 ABSROIFUGUGEEY-UHFFFAOYSA-N 372.515 4.438 0 40 FIAB Cc1ccc2nc(C)c(C(=O)N(C)CCOc3ccccc3F)cc2c1 32854593 UHVHJBQVVFSARS-UHFFFAOYSA-N 352.409 4.142 0 40 FIAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104735 IVZDMQKTPQAUAG-WMLDXEAASA-N 370.522 4.189 0 40 FIAB Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)cc2)cc1 36293982 XCBCVFOAJDITJV-UHFFFAOYSA-N 367.426 4.161 0 40 FIAB COc1ccc(C2(CNC(=O)c3cccc(N(C)C)c3)CCCC2)cc1 38593555 IAPHULPWJMJEBS-UHFFFAOYSA-N 352.478 4.003 0 40 FIAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 40128520 BDCXLNFGAGSENM-UHFFFAOYSA-N 369.446 4.095 0 40 FIAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cc[n+]([O-])cc1 69621176 WKOTVQUAGZJIJG-UHFFFAOYSA-N 373.437 4.363 0 40 FIAB COc1ccccc1OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 71794094 WEORGADDWAHTDM-UHFFFAOYSA-N 366.392 4.118 0 40 FIAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2Cl)cc1 72329172 OJEPDBJQOSIYIC-UHFFFAOYSA-N 357.816 4.362 0 40 FIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 72378884 VQMQWVGQTKFCOU-FQEVSTJZSA-N 374.488 4.297 0 40 FIAB CSc1ccc(-c2c3cnn(C(C)C)c3nc3[nH]c(=O)sc23)cc1 72403343 MASLILNGZYTFOU-UHFFFAOYSA-N 356.476 4.304 0 40 FIAB Cc1cccc(C)c1OC1CCN(C(=S)NCc2cccs2)CC1 84225260 MUDNQGONAMKPHH-UHFFFAOYSA-N 360.548 4.283 0 40 FIAB C[C@H](OC(=O)c1ccc2[nH]ncc2c1)c1nc2ccccc2n1C(F)F 84667854 AWOZHHVRHBCMTR-JTQLQIEISA-N 356.332 4.226 0 40 FIAB CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 96024862 WOFWKVSYWXJCMQ-GOSISDBHSA-N 374.481 4.187 0 40 FIAB COc1ccc(CN(CC(=O)Nc2ccccc2F)[C@@H](C)C2CC2)cc1 96981757 MWUWQSWAMAJVHE-HNNXBMFYSA-N 356.441 4.074 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1ccccc1 102189189 QNIDKPSAVPMQPT-FDCMFXBMSA-N 362.311 4.427 0 40 FIAB Cc1cccc(OCCNC(=O)CSCc2ccc(Cl)cc2)c1C 223899685 KZXYTJNHDAJJPL-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB COC(=O)c1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225322748 NARPBHPRFKRSNZ-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1ccc(OCCNC(=O)CCc2c(Cl)cccc2Cl)cc1 225359315 LQJCZHSBMGEQEZ-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCc2cccc(C)c2)ccc1Cl 225427850 JHVCQYGAOVENNZ-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB O=C(NCc1cncc(-c2cccs2)c1)C1(c2ccc(F)cc2)CC1 225667649 QUUKXTPLKAZCSI-UHFFFAOYSA-N 352.434 4.297 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(F)cc1)CC(C)(C)O2 225681937 SLPQSWJARQPRCQ-INIZCTEOSA-N 360.454 4.423 0 40 FIAB CCOC(=O)c1c(Nc2ncnc3ccccc23)sc2c1CCCC2 226819535 RCXFBJKHSDYPRY-UHFFFAOYSA-N 353.447 4.490 0 40 FIAB Cc1cc(C)n(C[C@H](C)C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)n1 247981106 HFTQNSKJEYXYGC-WVFSVQOHSA-N 369.484 4.212 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 260764218 KEMSSROHPFNYAC-AZUAARDMSA-N 372.553 4.104 0 40 FIAB CC(C)CNc1nn(Cc2ccccc2)c2nnc(-c3cccnc3)cc12 306129363 IBIRTLWZMPVEFL-UHFFFAOYSA-N 358.449 4.005 0 40 FIAB Cc1cccc(CN2CCC[C@@]3(CC2)CN(Cc2cccs2)CCO3)c1 306137749 REZYCWRPAQXHKK-JOCHJYFZSA-N 370.562 4.314 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2c(C)cccc2CC)n1CC 408560168 CFIYOEVFNUDJLC-UHFFFAOYSA-N 360.527 4.242 0 40 FIAB CSC[C@H](C)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 518734452 KSPFGEIEZVXXLA-ZETCQYMHSA-N 360.426 4.473 0 40 FIAB COc1ccccc1[C@H](C)CC(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21 529674232 KEVVHZZQOYLNSN-MWKWAHRJSA-N 355.865 4.297 0 40 FIAB CSc1ccccc1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 575611562 WUPXIXDKKRLPIB-AWEZNQCLSA-N 359.472 4.193 0 40 FIAB Cc1cc(C(=O)N2CC(C)(C)Oc3cc(Br)ccc32)ns1 585114438 VWQQIAJTUYPMSY-UHFFFAOYSA-N 367.268 4.032 0 40 FIAB CCO[C@H]1CC2(CCN(C(=O)c3csc(C)n3)CC2)c2ccc(C)cc21 2055806689 YTEOXKGJNNVULZ-IBGZPJMESA-N 370.518 4.415 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@H]1CCCO1 952945 SLYNZJVHBWCBMA-OAHLLOKOSA-N 359.447 4.018 0 40 FIAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 1013132 MPGBHQNKNBISPG-WQRHYEAKSA-N 366.442 4.190 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(-n3cccc3)cc2)cc1 1426644 QFSJVIISLFITKO-UHFFFAOYSA-N 362.473 4.470 0 40 FIAB COc1ccc(OCCSc2nnc3ccc4ccccc4n23)cc1 1924123 NLMSUHJJXPSNGE-UHFFFAOYSA-N 351.431 4.062 0 40 FIAB CC(C)OCCCNc1ncc2c(n1)C[C@@H](c1ccccc1Cl)CC2=O 2348094 RWPXXXUEHPJOGF-CQSZACIVSA-N 373.884 4.270 0 40 FIAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)/C=C/c1ccccc1 3098002 OOBXDHXAKNCUBC-FMIVXFBMSA-N 364.401 4.005 0 40 FIAB O=C(Nc1cccc(OC(F)(F)[C@H](F)C(F)(F)F)c1)c1cccnc1 3175155 WZMAUENYRLOMHO-CYBMUJFWSA-N 364.245 4.206 0 40 FIAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1c(C)cc(C)cc1C 3237022 WHRNPGZNPAFIQX-UHFFFAOYSA-N 373.474 4.138 0 40 FIAB O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1c(Cl)cccc1Cl 3480495 XJOAVEISJJVFBW-MRXNPFEDSA-N 363.244 4.047 0 40 FIAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1F 3500543 OBNPMQXWBKHJQG-VIFPVBQESA-N 356.180 4.317 0 40 FIAB COc1ccc(/C=C/c2nn3c(CCc4ccccc4)nnc3s2)cc1 5032162 JROKYTLQQQJYMW-GXDHUFHOSA-N 362.458 4.150 0 40 FIAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 5228502 REXFWMANWYNMPV-CLOMZQOJSA-N 370.445 4.040 0 40 FIAB O=C(C[S@@](=O)c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 5249079 OJTODKFSOVRSFZ-QHCPKHFHSA-N 361.772 4.105 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccc(F)c(F)c1)C3 5516269 TWYCGEZSBAVNAT-UHFFFAOYSA-N 369.367 4.307 0 40 FIAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(Cc2ccccc2)s1 5549564 KMFNEVNBLCIEOO-ZHACJKMWSA-N 355.850 4.434 0 40 FIAB O=C1OCCN1c1nnc(SCc2ccc(Cl)cc2Cl)s1 5749459 NFXSHPQBLJLLEI-UHFFFAOYSA-N 362.263 4.094 0 40 FIAB O=C(NCc1nc2ccccc2n1CCOc1ccccc1)c1ccccc1 6753131 GRNVKJWYWQZNFM-UHFFFAOYSA-N 371.440 4.045 0 40 FIAB CC(C)Oc1cccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 6762745 URLMWSULNHDOMB-UHFFFAOYSA-N 372.534 4.047 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3ccc(OC(C)C)cc3)s2)cc1 7345104 OOINPKSSXDERKX-UHFFFAOYSA-N 369.446 4.253 0 40 FIAB O=C(CSc1nccn1-c1cccc(F)c1)N1CC[C@@H]2CCCC[C@H]2C1 7738159 JLXLOHCSFKRAMK-HOTGVXAUSA-N 373.497 4.142 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2cccs2)cc1 7987861 GXVWTEWFWGPBPZ-AWEZNQCLSA-N 370.474 4.352 0 40 FIAB CC(=O)N[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C)cc21 8047471 FUGZWALXCJISKL-KRWDZBQOSA-N 363.244 4.026 0 40 FIAB O=C(CCOc1ccccc1)Nc1ccc(-c2cn3ccsc3n2)cc1 8280294 GDIAZOPFCFWNJA-UHFFFAOYSA-N 363.442 4.470 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1C 8336368 AUYBYEFMRZNWMQ-VCHYOVAHSA-N 364.426 4.112 0 40 FIAB Cc1cc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)no1 8880280 LPUOUCKOSSQGLV-UHFFFAOYSA-N 350.403 4.150 0 40 FIAB Cc1ccc(C(C)(C)C)cc1SCC(=O)Nc1ccccc1C(N)=O 8938672 BWEZADPETFPSMN-UHFFFAOYSA-N 356.491 4.122 0 40 FIAB COc1cccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 10184241 IFGCMIWGHVUSON-CQSZACIVSA-N 366.490 4.148 0 40 FIAB Cc1ccc2oc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc(=O)c2c1 10964984 BJUBSTKCROILTK-OAHLLOKOSA-N 369.417 4.207 0 40 FIAB O=C(O)c1cc2c(c(CSc3nc4ccccc4s3)c1)OCOC2 11945281 GSZMGLYMIRTKDW-UHFFFAOYSA-N 359.428 4.153 0 40 FIAB COc1ccc([C@@H]2[C@@H](NC(=O)c3sc(C)nc3C)[C@H]3CCCC[C@H]32)cc1 12162299 IEDNEAYEDOGXHB-XWSJACJDSA-N 370.518 4.471 0 40 FIAB CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)C4CC4)n3)ccc21 12220050 NENFOIJXJIYPCM-UHFFFAOYSA-N 369.490 4.094 0 40 FIAB COc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(C)n1 12225776 HELJMJWWQRMCBT-UHFFFAOYSA-N 367.384 4.320 0 40 FIAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 12637244 CTFJFAHGJMJPLR-MRXNPFEDSA-N 363.461 4.366 0 40 FIAB O=C(CN1CCCCCC1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12681282 PVZNHLFRCMXBBM-UHFFFAOYSA-N 369.431 4.120 0 40 FIAB CCc1ccc(OCC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 12988210 JHOFLOUOIQUTSI-FQEVSTJZSA-N 369.461 4.009 0 40 FIAB C[C@H]1Oc2ccc(NC(=O)c3cc4cc(F)ccc4s3)cc2NC1=O 13007806 FMFAGZDKLRDHED-SECBINFHSA-N 356.378 4.012 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1C 13667631 QVLIWHMOJQQXAG-UHFFFAOYSA-N 362.223 4.187 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c(C)c1 14898336 CDECYOINRQDYBD-UHFFFAOYSA-N 360.417 4.406 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 16020536 CILPMUULHKNTEQ-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1ccc(-c2nnc(C3CCN(C(=O)CCC4CCCC4)CC3)o2)cn1 19215219 CIIXFXDUDBKJQV-UHFFFAOYSA-N 368.481 4.116 0 40 FIAB Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1ccccc1F 19239601 OZTPEDQPWDVGGM-IBGZPJMESA-N 364.424 4.287 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2CCc2ccccc2)n1 19572875 TVXSSYGRWCOLIU-TZIWHRDSSA-N 353.510 4.465 0 40 FIAB Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20612072 CXKNKLRPXHOASD-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB Cc1c([C@H](Nc2ccccn2)c2ccccc2)c(=O)n(-c2ccccc2)n1C 20790026 QNVGAHIRDVXXEW-JOCHJYFZSA-N 370.456 4.081 0 40 FIAB CC1CCN(c2nc3nccc(-c4cccc5ccccc45)c3c(=O)[nH]2)CC1 22606928 SWCOLGITUBACAI-UHFFFAOYSA-N 370.456 4.375 0 40 FIAB COc1cc(C(=O)Nc2cccc(Br)c2)cc(OC)c1C 22696688 MHBKAGNCPQFMPO-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB CCN1CCCc2cc(CCNC(=O)c3ccc(OC(C)C)cc3)ccc21 22732582 DZEJJTSLCAYMDJ-UHFFFAOYSA-N 366.505 4.219 0 40 FIAB CCc1ccc(OCCCC(=O)Nc2nccs2)c(Br)c1 28232603 CDGBQTRKJCDKLV-UHFFFAOYSA-N 369.284 4.266 0 40 FIAB O=C(CSc1ccccc1)Nc1cnn(Cc2cccc(Cl)c2)c1 28303748 ULTUHBNOZUFUJZ-UHFFFAOYSA-N 357.866 4.316 0 40 FIAB CC(C)c1ccc([C@@H](NCC(=O)NCC(F)(F)F)c2cccs2)cc1 30246062 ZUHRHDMWPYJZNP-QGZVFWFLSA-N 370.440 4.229 0 40 FIAB CN(Cc1cccs1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 31529399 IATXTHJMISRFAG-UHFFFAOYSA-N 353.418 4.390 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 32740675 VUNXLYFOJIXFAC-UHFFFAOYSA-N 363.417 4.066 0 40 FIAB COc1ccc(NC(=O)Cc2ccccc2C)cc1OCc1ccncc1 32832294 PMEVPLFDJZMTJK-UHFFFAOYSA-N 362.429 4.159 0 40 FIAB O=C(c1cc(Br)ccc1Cl)N1CCC[C@H]1c1ccncc1 32909730 HJUKHZCCYFQBIH-HNNXBMFYSA-N 365.658 4.475 0 40 FIAB CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 32978681 ITIJOHGVCKROIB-QWHCGFSZSA-N 354.475 4.173 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2C(F)(F)F)c1 36392825 XEJQLVXGZHJORR-UHFFFAOYSA-N 357.397 4.143 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCC[C@H]1c1ccncc1 36700776 IVHDZLGLVFOCJR-SFHVURJKSA-N 365.408 4.172 0 40 FIAB Cc1ccc(Cc2nnc(NC(=O)Nc3c(F)cccc3F)o2)c(C)c1 38551240 WTIIUPBUXFWVRY-UHFFFAOYSA-N 358.348 4.199 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccc4oc(C)nc4c3)o2)cc1 39995578 SXKRMVXWSFQWLY-UHFFFAOYSA-N 362.389 4.066 0 40 FIAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)c(N)c1 40308054 BMVBGJDFNHUKLU-UHFFFAOYSA-N 369.646 4.336 0 40 FIAB CCOC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc2c1CC[C@@H](C)C2 44827176 SLEWNICQLQCODZ-PIGZYNQJSA-N 371.458 4.331 0 40 FIAB CCCN(Cc1ccccc1)Cn1nc(-c2ccc(OC)cc2)[nH]c1=S 45295656 VPILWLBHANFACS-UHFFFAOYSA-N 368.506 4.486 0 40 FIAB CCC(=O)Nc1c(C)c(Br)c(N)c(Br)c1CC 45890764 GUKAHHGVHCACHV-UHFFFAOYSA-N 364.081 4.013 0 40 FIAB CCCc1nc(CSc2nc3ccsc3c(=O)n2CC)cs1 48310792 UZYSUYYPUQHIHK-UHFFFAOYSA-N 351.522 4.179 0 40 FIAB Cc1ccc(NC(=O)CSc2cc(-c3nc(C)no3)ccn2)c(Cl)c1 49405374 FUOBHHAOJIEARW-UHFFFAOYSA-N 374.853 4.133 0 40 FIAB C[C@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1ccc(-n2ccnc2)cc1 56793375 JQPHAWQRBVEUBO-JXFKEZNVSA-N 352.482 4.298 0 40 FIAB O=C(NO[C@H]1CCCCO1)c1sc(-c2ccco2)nc1-c1ccccc1 60333196 IYVZRYYZNTYZBO-HNNXBMFYSA-N 370.430 4.258 0 40 FIAB CC(C)(C)c1ccc(C(=O)C(=O)NCc2nc3ccccc3s2)cc1 64289800 FKXLBSUQALHPDT-UHFFFAOYSA-N 352.459 4.093 0 40 FIAB COc1ccc(C)cc1CCNC(=O)N(C)Cc1ccc(Cl)s1 71812164 UICRBRKCGQBKHL-UHFFFAOYSA-N 352.887 4.103 0 40 FIAB CCCCN(Cc1cccc(OCC(N)=O)c1)[C@H](CC)c1ccccc1 72285250 LHMMMGDLQPNQPC-OAQYLSRUSA-N 354.494 4.304 0 40 FIAB C[C@H](NC(=O)c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)no1 72303653 ATOZLGWJMSSXMB-VIFPVBQESA-N 363.751 4.159 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330137 WANHMOOZVLHIIG-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165836 BFXFDKMEMDEOQY-QZTJIDSGSA-N 352.434 4.285 0 40 FIAB O=C1CCCN1CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc21 81644802 JWADUOUUZKZCLF-MRXNPFEDSA-N 368.864 4.097 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Cn2cccn2)CC1 85436386 NRZRDZDHLSFGDM-UHFFFAOYSA-N 353.253 4.134 0 40 FIAB O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ncoc1-c1cccs1 89836656 WWIUHOOFAOJUIO-HZPDHXFCSA-N 368.458 4.271 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1 95462299 BEBZDZXMTDZZQR-XJKSGUPXSA-N 365.449 4.125 0 40 FIAB COc1ccc(Nc2ccccc2C(=O)N[C@H]2CCO[C@H](C(C)C)C2)cc1 95983688 GFHBNQLGUCNSRK-UWJYYQICSA-N 368.477 4.372 0 40 FIAB CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCO1 95994313 CRAISVQOLBJBRX-SFHVURJKSA-N 360.454 4.007 0 40 FIAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OCc2cscn2)cc1 96991211 JRAWVESKEUNDNZ-VCHYOVAHSA-N 362.410 4.067 0 40 FIAB C[C@H](NC(=O)Cc1csc(Cc2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 105634760 GPAQCAYSFDMSNQ-XPYUAMARSA-N 354.519 4.217 0 40 FIAB COc1cccc(-c2nc(CC(=O)Nc3cccc4[nH]ccc34)cs2)c1 218493723 HCSUWBGOLBRGBD-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218973127 FYDWRSVDHORQKO-QFBILLFUSA-N 353.462 4.489 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN(C)c1ccccc1 219383527 UYTVJYIZBJAWBN-FQEVSTJZSA-N 354.494 4.104 0 40 FIAB Cc1ccc(N2CCC(C(=O)N[C@H](C)COc3ccccc3C)CC2)cc1 219864443 ZXPBFYIBEKMBQW-LJQANCHMSA-N 366.505 4.104 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2ccccc12 222626366 PONBSQPLRDVWFJ-OAHLLOKOSA-N 351.402 4.152 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Cc3cc(C)ccc3C)s2)cc1 223949221 KEIJCMULYCXSLS-UHFFFAOYSA-N 353.447 4.012 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 225305154 UMMKZBDOQNKWDO-UHFFFAOYSA-N 358.869 4.441 0 40 FIAB CC[C@@H](CNC(=S)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 225631489 GQNBTLLMKWEYNL-OAHLLOKOSA-N 356.491 4.013 0 40 FIAB CCOc1ccc(C(=O)NCc2nc(-c3ccccc3C)no2)cc1Cl 225753516 GDCOFVDMVWJHIO-UHFFFAOYSA-N 371.824 4.027 0 40 FIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225824524 YXRTVSPZZZEOPD-HXUWFJFHSA-N 365.470 4.184 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1 225864773 QUJKHMKUQCOTKD-QGZVFWFLSA-N 369.530 4.382 0 40 FIAB CCO[C@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1)C1CC1 260816787 QGCZSMREDLHKSB-VGSWGCGISA-N 374.525 4.084 0 40 FIAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@H](c3ccccc3C)C[C@@H]2C)c1 565105826 OCBGAKJHVIAQTK-LUQKVYGDSA-N 369.461 4.016 0 40 FIAB CC[C@@H](C(=O)NC[C@@H](c1cccs1)n1nc(C)cc1C)c1ccccc1 575610887 QVCMRJZXKPASMO-MOPGFXCFSA-N 367.518 4.461 0 40 FIAB O[C@@H]1[C@@H](NCc2ccccc2Cl)CCC[C@H]1Oc1cccc(Cl)c1 585289356 QEVYACHKGSROGE-IPMKNSEASA-N 366.288 4.444 0 40 FIAB Cc1nn(C)c2cc(N[C@H]3CCN(Cc4ccccc4)C4(CC4)C3)ccc12 648037019 CXRBYDQLJZSWMY-FQEVSTJZSA-N 360.505 4.491 0 40 FIAB COc1cccc2c1OC1(CCN(C3CCCC3)CC1)[C@@H]1CCCO[C@@H]21 1615155743 PZBXCEFLHNSVQO-QUCCMNQESA-N 357.494 4.333 0 40 FIAB Cc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)n1 1615160913 UOWYDYYCZRYYAI-UZLBHIALSA-N 367.468 4.049 0 40 FIAB Cc1nc(CN2CCC[C@@H](COc3ncccc3C(F)(F)F)C2)cs1 1776000777 JKIRLMXTELFSBO-CYBMUJFWSA-N 371.428 4.156 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2cc(Cl)ccc2Cl)c1 647097 YJKFYDVUGMFPCU-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CC[C@@H](C)C2 816663 LCPXMWUJJAQMPF-YPUOHESYSA-N 359.447 4.295 0 40 FIAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 842018 GXYZPRKXMHEHHK-NFJKTXFASA-N 365.432 4.257 0 40 FIAB biogenic C[C@@H]1CCCN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 2629978 RVYRCWQGNYGBBM-CYBMUJFWSA-N 362.267 4.240 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(Cc2ccccc2)o1 3451527 BCVZHYQVEPRLBJ-UHFFFAOYSA-N 363.442 4.425 0 40 FIAB Cc1ccc(NC(=S)N(CCCN(C)C)Cc2ccccc2)c(C)c1 3477545 IWKKLGPYSLSLME-UHFFFAOYSA-N 355.551 4.454 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1ccccc1Cl)C(C)C 3517788 QHPGACHEWTVADT-SFHVURJKSA-N 374.868 4.132 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)CSCc2ccccc2)s1 4087709 KHEGFNYFHMPKBQ-UHFFFAOYSA-N 371.487 4.086 0 40 FIAB COC(=O)CCc1sc(Nc2ccccn2)nc1-c1ccc(OC)cc1 4608027 LDQOFXZDQNITFO-UHFFFAOYSA-N 369.446 4.063 0 40 FIAB CCOC(=O)[C@H](Sc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 4776377 XBJMFRNSJKOJGQ-MRXNPFEDSA-N 354.431 4.442 0 40 FIAB COc1ccc(CNCC[C@@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1 4785491 RTMYNEJVZJZFHI-YOSAUDMPSA-N 366.549 4.473 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(C)cc2)c1 4854541 PEZFZXKWUHMIHJ-NRFANRHFSA-N 361.445 4.442 0 40 FIAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCCCC1 5146463 OFUKAWJDMNTKFQ-UHFFFAOYSA-N 359.882 4.271 0 40 FIAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4Cl)cc1c32 5153730 RHEWRSVZMORIHX-SNVBAGLBSA-N 358.800 4.128 0 40 FIAB O=C(O)c1cccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)c1 5234094 ABDUJGQVEGIHPI-UHFFFAOYSA-N 368.366 4.052 0 40 FIAB C[C@H](Sc1nnc(-c2cccnc2)o1)c1nnc(-c2cccs2)o1 5473652 MALPPVJKKCGVBG-VIFPVBQESA-N 357.420 4.096 0 40 FIAB O=C(NCCCCCCCCNC(=O)c1ccccc1)c1ccccc1 5515576 VZOBEKIDBCXHAH-UHFFFAOYSA-N 352.478 4.187 0 40 FIAB O=C(CSc1ccc2ccccc2n1)Nc1ccc2c(c1)OCCCO2 5626698 GNQIUFKNLLVYOU-UHFFFAOYSA-N 366.442 4.127 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2)ccc1Br 5925284 YTEZMOHXHQHVHP-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB CCOC(=O)c1ccccc1OC(=O)COc1ccc(Cl)cc1Cl 5953289 LJNUCRAUCQOTGP-UHFFFAOYSA-N 369.200 4.155 0 40 FIAB Cc1cccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)c1 6079511 HPSAKHGTYPTPBN-UHFFFAOYSA-N 371.234 4.163 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(=O)c2ccccc2o1 7308498 SCWQGGLYQSWBIW-UHFFFAOYSA-N 355.393 4.312 0 40 FIAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1COc2ccccc2O1 7346364 MTDMKCJPJCLIDM-QHCPKHFHSA-N 373.452 4.165 0 40 FIAB CCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 7542979 VZWWRAKUUGQMNI-INIZCTEOSA-N 351.425 4.102 0 40 FIAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 7970177 GLNRKYHMQNNOTL-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB Brc1ccc(-c2csc3ncnc(-n4ccnc4)c23)cc1 8723814 RVJIXBUXHHDPKZ-UHFFFAOYSA-N 357.236 4.307 0 40 FIAB CCOc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OC 10540354 RUSQINKEBNRJAW-UHFFFAOYSA-N 365.433 4.149 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnc(Cl)c(Cl)c1 11003370 CKGOVKZKIJCRIK-UHFFFAOYSA-N 373.623 4.455 0 40 FIAB Cc1cc(C)c2nc(NC(=O)c3cc(=O)c4cc(F)ccc4o3)sc2c1 11614448 RLDYTQBKJIUHPD-UHFFFAOYSA-N 368.389 4.411 0 40 FIAB COc1ccc(CCC2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1 12551219 CGSHGXUUWVPEPK-UHFFFAOYSA-N 363.461 4.057 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)c1C 12557645 AWLDBFMOSWCLKH-UHFFFAOYSA-N 353.510 4.265 0 40 FIAB Cc1ccc([C@]2(O)c3ccccc3NC(=S)N2Cc2ccccc2)cc1 12558092 QKMJSXYVMRTQNY-QFIPXVFZSA-N 360.482 4.401 0 40 FIAB CCOc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12601834 NOCYAYUUWAZEBH-KQDNUWKFSA-N 361.445 4.339 0 40 FIAB Cc1cc(C)cc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12787583 HJWNPVFYJDUDQD-UHFFFAOYSA-N 352.463 4.172 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H](C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12866696 UEUINMMDZQCLDT-LRYXAPPNSA-N 368.521 4.470 0 40 FIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(Cl)cc1 13006411 GLTBXPBYVVUKIW-JXMROGBWSA-N 371.824 4.435 0 40 FIAB CCOc1ccc(Br)cc1C(=O)Oc1ccccc1C(C)=O 14782487 KVKNKQFKCQPQCM-UHFFFAOYSA-N 363.207 4.270 0 40 FIAB CCOc1ccc(CN(CC)CC(=O)Nc2c(C)cccc2C)cc1OC 14813463 WZOGNNTYEPSKNB-UHFFFAOYSA-N 370.493 4.171 0 40 FIAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1C[C@H]1CC1(Cl)Cl 14857550 HEULCBVRFRZIHF-SNVBAGLBSA-N 369.248 4.458 0 40 FIAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1Cl 15577674 CSNQYLOWUOEECA-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB CCn1cc(C(=O)OCc2cc(C(C)=O)ccc2OC)c2ccccc21 16402641 QKBZVNBKZDDLIA-UHFFFAOYSA-N 351.402 4.229 0 40 FIAB COc1ccc(-c2csc(NC(=O)CSc3ccc(N)cc3)n2)cc1 17076121 FQAOVOUTFGQLFY-UHFFFAOYSA-N 371.487 4.132 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 17916094 DTXYMRYBDCJQPW-NEPJUHHUSA-N 366.230 4.233 0 40 FIAB O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(CC3CCCCC3)CC[C@@H]21 19406583 OYRAKWUKNGTAMK-ACRUOGEOSA-N 372.578 4.355 0 40 FIAB COc1ccc2[nH]c(CN3CCC(N(C)Cc4ccccc4)CC3)cc2c1 19586519 OFLJSEJOBURQLH-UHFFFAOYSA-N 363.505 4.273 0 40 FIAB Cc1nc2ccc(F)cc2cc1C(=O)N[C@@H](CCN(C)C)c1ccccc1 19718066 HPIJMDVWZUMQBO-NRFANRHFSA-N 365.452 4.105 0 40 FIAB COc1cccc(CN(C)Cc2nnc(-c3ccc(Cl)cc3)o2)c1OC 23820324 NJKABZGYBUWMRM-UHFFFAOYSA-N 373.840 4.039 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 24752080 FGVOAARYLJJZJE-ZJUUUORDSA-N 354.294 4.260 0 40 FIAB O=C(c1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cc1)N1CCCC1 25652697 SUFLRIPHPCYZMR-NRFANRHFSA-N 352.453 4.399 0 40 FIAB CCCCn1nc(C)c(/C=C/C(=O)Nc2ccc(Cl)cn2)c1Cl 26088224 UBNFKTHHKPEFJE-SOFGYWHQSA-N 353.253 4.345 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(F)c(F)c1F 26766457 NDUGCIXIOCQAID-UHFFFAOYSA-N 359.351 4.088 0 40 FIAB COc1ccc2cc(CN3CCO[C@@H](c4ccccc4)C3)c(Cl)nc2c1 29534589 YMDRKQYRMQGEDK-HXUWFJFHSA-N 368.864 4.470 0 40 FIAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3-c1ccccc1)C(=O)N2 32088592 MHKKYXNFTVCZGE-JOCHJYFZSA-N 372.428 4.226 0 40 FIAB O=C(CCc1ccsc1)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 32931851 ZJZFOSFAVKDPBR-HXUWFJFHSA-N 364.470 4.177 0 40 FIAB CCN(CC)c1ccc2cc(C3N(C)c4ccccc4N3C)c(=O)oc2c1 33986442 RAKLMTFFTWJJAI-UHFFFAOYSA-N 363.461 4.224 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(CN3CCCCCC3)cc2)c1 38834795 PANRYNRFJIAVNH-UHFFFAOYSA-N 368.477 4.332 0 40 FIAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1ccc(Br)cc1 40107163 DHHCIWVPHNHDQI-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB Cc1c(Br)c(C)c(Br)c(N)c1Br 45889858 NIFOLKXNFGFBCX-UHFFFAOYSA-N 357.871 4.173 0 40 FIAB CCOc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 47322817 UPZDKIAXPANZOC-UHFFFAOYSA-N 371.456 4.011 0 40 FIAB CC(=O)Nc1ccc2c(CN3CCC[C@@H]3c3ccsc3)cc(=O)oc2c1 52803358 GGVOSUGYHRPDKS-GOSISDBHSA-N 368.458 4.150 0 40 FIAB Cc1cc(-c2noc(CCC(=O)N3c4ccccc4C[C@@H]3C)n2)ccc1F 57395542 MTGODMRXHROPBQ-AWEZNQCLSA-N 365.408 4.095 0 40 FIAB Cc1nc2ccc(C(=O)N(Cc3ccccc3)CC(F)(F)F)cc2nc1C 58161506 OEXOUIZQOGRMDI-UHFFFAOYSA-N 373.378 4.451 0 40 FIAB CCc1nc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cs1 58171381 SFICXQOZNZPRTR-UHFFFAOYSA-N 369.465 4.387 0 40 FIAB CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1(C)C 74383752 ZDUZOGXXGBEYNL-AVBTWRTFSA-N 371.481 4.248 0 40 FIAB CCCC1(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CCC1 79102063 MFXDALZWXXFCRS-UHFFFAOYSA-N 361.873 4.409 0 40 FIAB CCc1ccc(-c2ccc(C(=O)Nc3ccccc3C(=O)N(C)C)o2)cc1 79507328 NOMMZECMOMYZIG-UHFFFAOYSA-N 362.429 4.463 0 40 FIAB CC(=O)Nc1ccc(CNc2c(C)cnn2Cc2cc(F)ccc2F)cc1 89702566 WLRRVYQTRGPINQ-UHFFFAOYSA-N 370.403 4.089 0 40 FIAB O=C(CSCc1ccccc1)NCc1cc(C2CC2)n(C2CCCC2)n1 96104078 OVMXLDNVIDBIGN-UHFFFAOYSA-N 369.534 4.425 0 40 FIAB COc1ccc2cc(C(=O)NCC3(c4cccs4)CCCC3)[nH]c2c1 96120206 QMSBSQWAZSBOBV-UHFFFAOYSA-N 354.475 4.480 0 40 FIAB CN(Cc1ccccc1)[C@H]1COC2(CCN(Cc3cccs3)CC2)C1 96220946 TUYMCDZNQIQHEL-LJQANCHMSA-N 356.535 4.004 0 40 FIAB Clc1ccc2[nH]c(CN(Cc3cccs3)C[C@H]3CCCO3)nc2c1 96997344 AYHHULZLSLHCSE-CQSZACIVSA-N 361.898 4.459 0 40 FIAB C[C@H]1CCC[C@H](CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)C1 102309824 IQEOQPCLNGNJLT-HOTGVXAUSA-N 368.481 4.054 0 40 FIAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccccc4)C3=C(O)C2)cc1 102674263 COWFTLXHROQOOR-HRAATJIYSA-N 372.428 4.352 0 40 FIAB Cc1cccc(CSCCNC(=O)COc2cc(C)cc(C)c2C)c1 218965322 MIICXAOIZHYYSP-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB CC(C)Oc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580565 SSLODWHSBGZBEB-JVPBZIDWSA-N 353.491 4.458 0 40 FIAB CC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 223595550 QNYKUDGAWFAMCM-GOSISDBHSA-N 371.477 4.221 0 40 FIAB COc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C 223676538 HLFRPAZEGDHBLJ-UHFFFAOYSA-N 371.487 4.400 0 40 FIAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 223745662 HNWAQRJYLLYGPM-OALUTQOASA-N 365.458 4.169 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc1 224592141 FACZTIVZLOJTRL-GOSISDBHSA-N 368.546 4.388 0 40 FIAB CC1(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)CCCCC1 225871258 OZWHSSISOFRDGR-UHFFFAOYSA-N 359.539 4.322 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2cc(Cl)ccc2oc1=O 226041519 XWQOYUCTTKYOKI-UHFFFAOYSA-N 352.148 4.491 0 40 FIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(Br)cc1 226366641 WTAKKBIDNPYDKA-UHFFFAOYSA-N 358.191 4.099 0 40 FIAB COc1ccc([C@@H](NC(=O)Nc2c(C)cc(OC)c(C)c2C)C2CC2)cn1 529097782 KEVFTWSPEXKQFO-FQEVSTJZSA-N 369.465 4.297 0 40 FIAB Cc1noc(C[C@H](NC(=O)CC2CCC(C)(C)CC2)c2ccccc2)n1 562369654 VQNYJNDORVFIAI-SFHVURJKSA-N 355.482 4.385 0 40 FIAB Cn1ncc(C2CCC2)c1C(=O)Nc1cc(Cc2ccccc2)ccc1O 613035177 LBFNCPVGFCYOGA-UHFFFAOYSA-N 361.445 4.236 0 40 FIAB Cc1oncc1CN1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 1888901154 CPDQZOBWWXVZOA-CYBMUJFWSA-N 358.442 4.020 0 40 FIAB Fc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 719327 DEMCQVJFWWRPQC-UHFFFAOYSA-N 368.481 4.036 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 724396 HMOPAQLISXDPHM-UHFFFAOYSA-N 353.447 4.354 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(O)cc2)sc2c1CC[C@H](C)C2 936525 HOGQJTCLJPYAQI-NSHDSACASA-N 359.447 4.008 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)n1 1069158 FXEUXGJGTLZYPZ-FEUHOPSXSA-N 358.554 4.110 0 40 FIAB COC(=O)c1cc(C[C@@H]2Cc3cc4c(cc3C2=O)CCC4)cc2c1CCC2 1855503 PHOXEIVVUWMYIC-LJQANCHMSA-N 360.453 4.048 0 40 FIAB O=S(=O)(Nc1ncnc2scc(-c3ccccc3)c12)c1cccs1 2659894 XAAFJIKQDAVUPC-UHFFFAOYSA-N 373.484 4.221 0 40 FIAB COc1ccc(C)cc1C(=O)CCC(=O)N[C@@H]1CCCc2ccccc21 3418226 UOLZVIHSPGNQFK-LJQANCHMSA-N 351.446 4.160 0 40 FIAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C[C@@H]1CCCO1 3426677 FMPHHVFXOVHBPR-HNNXBMFYSA-N 370.474 4.400 0 40 FIAB CN(C)[C@H](CNc1ncnc2sc3c(c12)CCCCC3)c1ccco1 3452417 UTCLMQXWTSEECY-CQSZACIVSA-N 356.495 4.268 0 40 FIAB CC(CNC(=S)NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1 4655683 VCRUFUOQAKQJTJ-UHFFFAOYSA-N 374.509 4.297 0 40 FIAB CCn1cc(NC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 5265956 ZLPLSWNIBVHRLV-UHFFFAOYSA-N 366.440 4.154 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c1C 5361775 PGEVTOYYBLZPFF-UHFFFAOYSA-N 373.474 4.204 0 40 FIAB CCOc1ccc(N/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 5796728 GLNZDDVWWWXAOM-ATVHPVEESA-N 354.431 4.234 0 40 FIAB O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccc(F)cc1 6085041 SGUARZPJRPMIAW-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccc2ncccc2c1 6258184 GVRFPXWLYUSTFH-UHFFFAOYSA-N 355.426 4.319 0 40 FIAB CSc1cccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 6584980 OTRGBTICGLMQEO-UHFFFAOYSA-N 369.273 4.084 0 40 FIAB COCCN(Cc1ccccc1)C(=O)c1oc2ccc(OC)cc2c1C 6850047 PPIOIBDJEVYCLC-UHFFFAOYSA-N 353.418 4.039 0 40 FIAB Cc1c(Cl)cccc1NC(=S)N(C)C[C@@H]1COc2ccccc2O1 6869254 PGHGVYISGDYPOX-CYBMUJFWSA-N 362.882 4.117 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 7594345 GNNBCMIVYZYHAF-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2)c1 7717523 BONLQKZBYGWSLY-GOSISDBHSA-N 374.868 4.133 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Cl)cc1F 7825103 VCYCEDSQOFABDN-UHFFFAOYSA-N 371.843 4.271 0 40 FIAB O=C(COc1cccc(F)c1)N[C@H](c1ccc(F)cc1)c1cccs1 7885483 FGLRRWFZGXZGDD-LJQANCHMSA-N 359.397 4.311 0 40 FIAB Cc1ccc(Cl)cc1NCC(=O)Nc1ccccc1Br 7975689 LHPZDMWZMTZLOM-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB CSc1nc(C)c(CCC(=O)Nc2ccc3nc(C)sc3c2)c(C)n1 8185909 RXENVJSNOCDUBE-UHFFFAOYSA-N 372.519 4.305 0 40 FIAB C[C@@H]1C[C@@H](Sc2nc(C3CCCCC3)n(-c3ccccc3)n2)C(=O)O1 8271441 ASUVOWMTWCNDPO-CZUORRHYSA-N 357.479 4.111 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCCCn1nc(C)c(Cl)c1C 8274048 WGLNLCMMRLXZPH-UHFFFAOYSA-N 371.268 4.027 0 40 FIAB Cc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc3c(c2)OCO3)cc1 8411420 FYRHAOZTKORAIK-UHFFFAOYSA-N 364.445 4.386 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 8479243 DNBKRBBCFOCOSN-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB COc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 8924131 IUKZCYMMYAHCIH-HNNXBMFYSA-N 368.458 4.047 0 40 FIAB COc1ccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9012749 HCQOUEDSEOVONZ-HNNXBMFYSA-N 353.809 4.213 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OCC(F)(F)F)cc1 9338966 UOJNWBICUHTIBW-GFCCVEGCSA-N 368.355 4.075 0 40 FIAB C[C@H](CCc1ccco1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9485139 HJQYGWFUKCVIRY-CQSZACIVSA-N 365.458 4.431 0 40 FIAB COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cccc(O)c3)C[C@H]21 10216040 HXNLCIWLBFJBPL-DENIHFKCSA-N 373.412 4.038 0 40 FIAB C[C@H]1CN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CCO1 11495607 OTNUAMOKQDFBQB-ZDUSSCGKSA-N 364.367 4.310 0 40 FIAB COc1ccc(OC)c(NC(=O)CNc2ccccc2-c2ccccc2)c1 11618627 VOEWBJIHDWTVGK-UHFFFAOYSA-N 362.429 4.421 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2Cn2c(C)nc3ccccc32)c1 12541288 YBYOCKDQBCEQEQ-IBGZPJMESA-N 351.450 4.157 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1N1CCCC1=O 12613182 DVLIHDQHFBQCKX-UHFFFAOYSA-N 361.401 4.029 0 40 FIAB CCc1ccccc1NC(=O)CN(C)c1ncnc2c1oc1ccccc12 12614308 QQQGBPGIVVTZOX-UHFFFAOYSA-N 360.417 4.013 0 40 FIAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccc(C)cc3C)ccc12 12734431 MYVMNHNCXLXVHQ-OAHLLOKOSA-N 365.429 4.378 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(OC)cc2OC)cc1 12760683 JKUAGOHSDBMUNV-CWUFLNSKSA-N 367.445 4.089 0 40 FIAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 12787295 ORUFBVTXUCGRNU-AWEZNQCLSA-N 355.388 4.043 0 40 FIAB C[C@@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccc(Br)cc1 12912858 MFCMKHUZMXHTQT-LBPRGKRZSA-N 365.246 4.220 0 40 FIAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1C 13668629 QOEWVRVSRXDGQB-UHFFFAOYSA-N 369.442 4.126 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccccc1F 13694926 PDLYALPOUCHBKD-UHFFFAOYSA-N 366.417 4.342 0 40 FIAB COc1ccc(-c2nc(/C=C/C(=O)N(C)Cc3ccco3)cs2)cc1 14134554 VTHQAIPBHPXZLG-JXMROGBWSA-N 354.431 4.084 0 40 FIAB COc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC 14168512 LERQPJMSRREWOE-LLVKDONJSA-N 353.340 4.214 0 40 FIAB Cc1cccc(-c2noc(CCC(=O)Nc3cc(C)cc4cccnc34)n2)c1 19656241 YBMYGERPVCDATE-UHFFFAOYSA-N 372.428 4.473 0 40 FIAB Cc1ccn2c(CN3CCC(Oc4ccccc4F)CC3)c(C)nc2c1 19658992 ZMLKTTIODNEFNZ-UHFFFAOYSA-N 353.441 4.134 0 40 FIAB O=C(CC[C@@H]1C(=O)Nc2ccccc21)Nc1nnc(C2CCCCC2)s1 19714361 VZDKICRKHKGVBX-AWEZNQCLSA-N 370.478 4.040 0 40 FIAB CC[C@H](CN1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1 19719498 QRYISQGATPNWRW-OAQYLSRUSA-N 363.509 4.232 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20143867 JEMKBXWUPLFTGD-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC 20456129 RRUIOAOWLISBCL-OLZOCXBDSA-N 363.454 4.201 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnnn1C1CCCC1 21732410 RNIURFDEBUNZGF-UHFFFAOYSA-N 374.901 4.228 0 40 FIAB CNc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)nc2ccccc12 24928765 BKYIRPCBPBQNBN-JTQLQIEISA-N 374.416 4.069 0 40 FIAB c1cnc2c(CN3CCN(c4nc5ccccc5s4)CC3)cccc2c1 25045763 UTVYYDJXGJSPFC-UHFFFAOYSA-N 360.486 4.167 0 40 FIAB COc1ccc(OC)c(CNCc2ccc(OCc3cscn3)cc2)c1 25073730 GRIXDJYLBLTCGW-UHFFFAOYSA-N 370.474 4.029 0 40 FIAB Cc1ccn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1 28303507 SDEZUQXYWLVDTC-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB COC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1C 29157131 NOGPAZITUKILNQ-UHFFFAOYSA-N 360.413 4.460 0 40 FIAB CC(=O)Nc1ccc2c(CN[C@@H](c3ccccc3)C(C)C)cc(=O)oc2c1 29189379 SZKFXBAZICPVTP-JOCHJYFZSA-N 364.445 4.238 0 40 FIAB CCCCOc1ccc(S(=O)(=O)NCc2ccccc2)c2ccccc12 30768827 OIPDOGUBBFJGLW-UHFFFAOYSA-N 369.486 4.497 0 40 FIAB Cc1ccc(C(=O)N[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cn1 36393401 DVZYADLJZJJLBH-FQEVSTJZSA-N 374.419 4.050 0 40 FIAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccc3cccnc23)o1 36740252 HZHLDXGQYQZRJZ-UHFFFAOYSA-N 360.461 4.425 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)c1ccc(F)cc1Br 37652491 BDIRHRGOAOBDCJ-UHFFFAOYSA-N 351.219 4.215 0 40 FIAB Cc1ccc(CN(C)S(=O)(=O)c2ccccc2OC(F)(F)F)c(C)c1 40039921 SXYBHLFCLXQBRL-UHFFFAOYSA-N 373.396 4.023 0 40 FIAB COc1cccc(-n2cc(C(=O)OCCC(C)C)c3ccccc3c2=O)c1 44168157 GEWIIVCTENPAMM-UHFFFAOYSA-N 365.429 4.202 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44908939 NYVBQIDUXRVCLY-UHFFFAOYSA-N 366.505 4.180 0 40 FIAB Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1ccc(OCC(F)(F)F)cc1 45034314 WZMZDVXXWPFSQB-UHFFFAOYSA-N 369.387 4.448 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(C(C)=O)cc1 49546703 GSHHMZXIRYNPRN-UHFFFAOYSA-N 353.447 4.341 0 40 FIAB Cc1c(C(=O)NCc2ccc(C(C)C)cc2)nnn1-c1ccc(Cl)cc1 51318086 IAZFQWUEXGVZJV-UHFFFAOYSA-N 368.868 4.283 0 40 FIAB O=C1OCCN1CCc1nc(-c2ccccc2)c(-c2ccccc2)s1 55049639 HERHLMYZWFZUKD-UHFFFAOYSA-N 350.443 4.472 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N3CCc4ccc(O)cc4C3)c2)oc1C 56731972 HAYPKGLHTULCEQ-UHFFFAOYSA-N 363.417 4.254 0 40 FIAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1 58168499 LLPBTGIRKMIDBK-NSHDSACASA-N 350.340 4.347 0 40 FIAB O=C([C@H]1Cc2ccccc2S1)N(CCc1ccccc1)Cc1ccncc1 58277469 AOTIDWMECRNGAG-JOCHJYFZSA-N 374.509 4.370 0 40 FIAB COc1cc(CN2CCC(COCc3ccccc3)CC2)cc(OC)c1 70655726 ZQQDWCZJMPCKSE-UHFFFAOYSA-N 355.478 4.133 0 40 FIAB COc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(SC)nn32)cc1 100132643 JUKQCOJRZUVGMU-QGZVFWFLSA-N 350.447 4.065 0 40 FIAB C[C@@H](NC(=O)NCc1nc(-c2ccccc2Cl)no1)[C@@H]1C[C@H]2CC[C@H]1C2 104255021 KBULHZYEUFTCIW-OSFYFWSMSA-N 374.872 4.014 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1ccc(Cl)c(C)c1 218939241 DAZZBORIRLPSQW-UHFFFAOYSA-N 361.869 4.175 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccccc1F 219054940 TTYDXAABQWWRKD-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB O=C(CSc1nc2ccccc2o1)N1CCS[C@H](c2ccco2)CC1 219367136 XJNQTJIMLGINHM-INIZCTEOSA-N 374.487 4.220 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)c(C)o1 220912743 JUEPBKIYUPAHCB-AWEZNQCLSA-N 371.462 4.103 0 40 FIAB Cc1ccc(SCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 222657640 LQCFVYNYEVTHDW-HNNXBMFYSA-N 357.475 4.126 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223616247 YWMYVKLHEBPYJI-GOSISDBHSA-N 363.457 4.419 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 225266039 CVJWTHQNBRXZHN-LLVKDONJSA-N 368.861 4.242 0 40 FIAB COc1cccnc1NC(=S)N[C@@H](c1ccccc1)c1cccc(C)c1 225701858 KUJPEMIPEZBAGR-IBGZPJMESA-N 363.486 4.475 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225792361 OZVMBKDLUMMLND-CVEARBPZSA-N 353.462 4.219 0 40 FIAB Cc1ccc(Cc2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1C 227143239 YVGASMSLMZAYDG-UHFFFAOYSA-N 374.473 4.017 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2cnc3ccccc3c2)C1 257238891 HMZJYCKAXGBVKH-HNNXBMFYSA-N 351.475 4.095 0 40 FIAB CCCOc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257246617 IUXGSNLPTXUGHW-CSSXWCHRSA-N 371.521 4.494 0 40 FIAB Cc1nc(C2(C)CCN(C(=O)c3ccccc3F)CC2)c2sccn12 257267021 MFQIAGQPLORSLI-UHFFFAOYSA-N 357.454 4.037 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(C)c(OC)cc1C 409374922 BQYPEEREECCHMU-QGZVFWFLSA-N 358.463 4.080 0 40 FIAB CN1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)c2ccccc21 518929903 TYQSLDSNRYUNRN-UHFFFAOYSA-N 371.893 4.365 0 40 FIAB Cc1csc(NC2CCN(C(=O)c3cccc(C(F)F)c3F)CC2)n1 529053974 KAPLWGXTPNJZSX-UHFFFAOYSA-N 369.412 4.245 0 40 FIAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1 660364402 CBHZPSBFAQNCRY-KSZLIROESA-N 362.514 4.004 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C)c(Cl)c3)sc2c1 814040 BCLLDXVVXPEAKP-UHFFFAOYSA-N 359.838 4.469 0 40 FIAB COc1cccc(-c2nnc(SCC(=O)c3ccc(C)c(C)c3)o2)c1 882368 BQEXSLCSJXVNCJ-UHFFFAOYSA-N 354.431 4.337 0 40 FIAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CC(C)(C)C)cs1 1366798 WVWMLNVWRVITOM-UHFFFAOYSA-N 371.506 4.484 0 40 FIAB O=C(CSCCSCC(=O)c1ccc(F)cc1)c1ccc(F)cc1 2093270 KBLFAVITWZVKOR-UHFFFAOYSA-N 366.454 4.497 0 40 FIAB Cc1oc(CSCCSCc2cc(C(=O)O)c(C)o2)cc1C(=O)O 2276490 YBAGYLWUKHBFTF-UHFFFAOYSA-N 370.448 4.052 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)N3CCCC[C@@H]3C)s2)cc1 2623264 NXHZGUSTMIDRSW-ZDUSSCGKSA-N 362.524 4.083 0 40 FIAB Cc1ccc(NC(=O)COc2ncnc3sc(C)c(C)c23)cc1Cl 2644691 FAQLXGUIWNDYOR-UHFFFAOYSA-N 361.854 4.287 0 40 FIAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cnccn1 2645215 FZHOVTTUEVKXAI-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB O=C(C[C@@H](SCCO)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 2708527 XATKNMVXXHFTEM-GOSISDBHSA-N 364.850 4.108 0 40 FIAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 3433664 ZMVWQIALVFQGSU-GFCCVEGCSA-N 363.255 4.287 0 40 FIAB CCCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12 4267286 RXAVABVIJRHRBX-UHFFFAOYSA-N 352.390 4.432 0 40 FIAB Clc1ccccc1CSc1ccc2nnc(-c3cccnc3)n2n1 4327800 WTFRULIJAWWKEI-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB CCCCCCOCCOCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 4691957 MQUDMBQELAOGLO-RTBURBONSA-N 353.547 4.345 0 40 FIAB CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816639 XXSXIFCHVGPLHS-ROUUACIJSA-N 366.852 4.409 0 40 FIAB Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 4965443 QPGZKSYVGUZBSH-UHFFFAOYSA-N 355.413 4.017 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5864715 UKAYKPOWXJODBZ-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB Cn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 6171001 TXRJHSFHJWHLAZ-UHFFFAOYSA-N 366.490 4.150 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nnc2[nH]c3ccccc3n12 6503555 BZEQDDRDABVFKI-UHFFFAOYSA-N 365.462 4.065 0 40 FIAB CCc1ccc(Nc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 6590160 FYBDKSIWDGTSCP-UHFFFAOYSA-N 361.445 4.013 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2ncccc12 6657412 PEFZIWGOXIMHTB-UHFFFAOYSA-N 370.334 4.242 0 40 FIAB COC(=O)c1ccc(COC(=O)CSc2ccc3ccccc3c2)cc1 6735115 IOTMNIILPFWJHE-UHFFFAOYSA-N 366.438 4.462 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)Sc2cc(C)c3ccccc3n2)cc1 6792949 DXZZGELICBPJBI-HNNXBMFYSA-N 366.486 4.349 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)c2ccccc2n1 6852168 BAIBGCCKRAVUTC-UHFFFAOYSA-N 373.456 4.468 0 40 FIAB Cc1ccc(-n2ccnc2SCC(=O)N(C)Cc2ccsc2)cc1C 7153127 AGPWPYAYIYWBFG-UHFFFAOYSA-N 371.531 4.301 0 40 FIAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(OC)c1 7388430 CXXDHDQXJPHMSO-UHFFFAOYSA-N 354.450 4.192 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 8040847 TZJILKPCTXMSGO-NSHDSACASA-N 354.233 4.086 0 40 FIAB CCOc1cc(/C=C/C(=O)NOCc2ccccc2)cc(Cl)c1OC 8096897 MDUVJUXNXFXRRQ-MDZDMXLPSA-N 361.825 4.009 0 40 FIAB NC(=O)CCSc1ncc(-c2ccccc2)n1-c1ccccc1Cl 8344924 AIMAQDCSGMZZMI-UHFFFAOYSA-N 357.866 4.160 0 40 FIAB O=C(Cn1c(SCc2ccccc2)nc2ccccc21)N1CCCCC1 8361832 ASZVWQKMNDXYGS-UHFFFAOYSA-N 365.502 4.341 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 8497832 YMTHKWPTRIQZFI-QGZVFWFLSA-N 368.477 4.095 0 40 FIAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCC(C)C 8772120 UGDLVOIFTIGRRH-UHFFFAOYSA-N 366.874 4.135 0 40 FIAB COc1cccc2cc(C(=O)Nc3nc(-c4ccncc4)cs3)oc12 8960479 XQETWQNRNCZWDW-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB O=C(CCc1cccnc1)Nc1nc2ccc(Br)cc2s1 9117763 ICWUICGBDMCTHX-UHFFFAOYSA-N 362.252 4.025 0 40 FIAB COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cccs3)C[C@H]21 10216093 GRYAVIDOWGSROK-UZLBHIALSA-N 363.442 4.394 0 40 FIAB O=C(Cc1ccc(Br)cc1)NCC1(c2ccccc2)CCC1 10221367 DSWZSHQJKUWNIC-UHFFFAOYSA-N 358.279 4.230 0 40 FIAB Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)NCc2ccccc2)c1 10878365 BMDIDKORTDTUSL-QGZVFWFLSA-N 365.502 4.286 0 40 FIAB COc1cccc(OCc2noc3cc(OC(=O)c4ccco4)ccc23)c1 11854112 DYVWTKSCCXEMKC-UHFFFAOYSA-N 365.341 4.228 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C 12795673 ZZDBDSYPSVEWJB-IBGZPJMESA-N 351.446 4.442 0 40 FIAB CCOc1ccccc1OCC(=O)c1cc(C)n(-c2nccs2)c1C 12903867 VEVSOKSTPUZIKG-UHFFFAOYSA-N 356.447 4.211 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c1 12998266 GCWBKHLVJDWCNK-UHFFFAOYSA-N 360.413 4.400 0 40 FIAB CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H]2CO[C@@H]1C2 13527423 LQANGKSBLPMBTJ-PHSMZDPJSA-N 350.499 4.336 0 40 FIAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 13634731 WRUNLJOJPCHHHV-GOSISDBHSA-N 365.458 4.220 0 40 FIAB O=c1c(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)coc2ccccc12 13993906 UMJDRBHCOJNTDW-LJQANCHMSA-N 367.420 4.113 0 40 FIAB Cc1cc(NCC(=O)NCc2ccc(Cl)cc2)ccc1Br 15122529 DOCOYSHBTVPXBY-UHFFFAOYSA-N 367.674 4.139 0 40 FIAB NC(=O)c1ccc(COC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 16122672 DXSITKILCGJXET-UHFFFAOYSA-N 355.777 4.056 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(Nc3ccc4c(c3)OCO4)nc2O)cc1 16806940 IBRXIRIPAGPYET-UHFFFAOYSA-N 364.405 4.014 0 40 FIAB Fc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1 16807823 KSOQJTWLXPQAJI-UHFFFAOYSA-N 366.421 4.413 0 40 FIAB Cc1cccnc1-c1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 19237875 PZOJMSSVGPKBKO-UHFFFAOYSA-N 350.809 4.434 0 40 FIAB COc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2)cc(OC)c1OC 21835436 UOSZKSRYQAHZIQ-GOSISDBHSA-N 371.477 4.159 0 40 FIAB O=C(COc1ccccc1)Nc1ccccc1-c1nc(-c2ccco2)no1 22460292 LIYBZJJGCYTSPK-UHFFFAOYSA-N 361.357 4.014 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 24752089 FGVOAARYLJJZJE-UWVGGRQHSA-N 354.294 4.260 0 40 FIAB Cc1occc1-c1nn(CN2CC=C(c3ccccc3)CC2)c(=S)n1C 24766066 TUMNPPFZRDIGBO-UHFFFAOYSA-N 366.490 4.266 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 24976356 QYPHGIBPCWHCKT-OQJZXCMRSA-N 362.558 4.039 0 40 FIAB CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H]1Cc1ccccc1 25439352 ZERCMJQPEDDOLL-OAQYLSRUSA-N 350.506 4.457 0 40 FIAB Cc1ccccc1-n1ccnc1S[C@@H](C(=O)N(C)C)c1ccccc1 26704059 GAYPPZNXNNDGCN-GOSISDBHSA-N 351.475 4.102 0 40 FIAB CCOc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222481 CLLNOMBKVSVWEX-QFIPXVFZSA-N 361.489 4.497 0 40 FIAB Cc1cccc(Cn2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)cn2)c1 28577209 LSMXEVZTAIVMMM-UHFFFAOYSA-N 369.490 4.164 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1-n1ccnc1 30849670 UDOIUOMZCFJEEF-CQSZACIVSA-N 371.893 4.323 0 40 FIAB COc1ccc(C)cc1CN(c1ccccc1)S(=O)(=O)c1ccccc1 31080926 RRVMIDXKKMOAQQ-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB COc1ccc(C)cc1C(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 33018867 MKCWHMOXWSPUHW-UHFFFAOYSA-N 355.478 4.052 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N(C)[C@H](C)c2ccccc2)cc1 34801133 CQONTXQPANSLNX-DYESRHJHSA-N 352.478 4.052 0 40 FIAB CC(C)(C)NC(=O)[C@H](OC(=O)c1cccs1)c1ccc2ncccc2c1 35311512 IFHVRAONRNHUFM-QGZVFWFLSA-N 368.458 4.109 0 40 FIAB Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2c(C)nn(C(C)C)c2n1 36612502 WZUDJESTPGPRRL-UHFFFAOYSA-N 366.509 4.328 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(CC)cc1 38500739 GABPILQJCYPPBK-UHFFFAOYSA-N 353.397 4.225 0 40 FIAB O=C(NCc1ccco1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849027 XWCVSSIPGGFVMW-ZDUSSCGKSA-N 367.276 4.115 0 40 FIAB CC[C@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccccc1 40119572 ZZAMLVUKENKQBI-OAHLLOKOSA-N 351.475 4.458 0 40 FIAB Cc1nc2ccccc2nc1COC(=O)C1(c2ccc(F)cc2)CCC1 48250535 ROFGXVVJVQCBKW-UHFFFAOYSA-N 350.393 4.242 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(N(C)C)c(F)c1 48309551 SUOIKZCKOAIFOX-UHFFFAOYSA-N 369.484 4.154 0 40 FIAB O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1nc(C(F)(F)F)cs1 48374816 SZMOGVVFHNZAFK-UHFFFAOYSA-N 370.274 4.242 0 40 FIAB Cc1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1c1ccc(F)cc1)C(=O)N2 58157424 ZJGVKNARKZBDOR-QFIPXVFZSA-N 373.387 4.012 0 40 FIAB CC(=O)Nc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1 58163613 ANUMHWDHTJWWBI-UHFFFAOYSA-N 365.408 4.261 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)Nc2cccc(-c3noc(O)n3)c2)cc1 58315282 PWYDYAOIWUVFAA-UHFFFAOYSA-N 365.433 4.311 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)c(OC)c1OC 71282750 WIWNHANYKDQTJC-AWEZNQCLSA-N 371.437 4.148 0 40 FIAB COc1ccc(-c2nnc(-c3cnc4onc(C(C)C)c4c3)o2)c(OC)c1 71890743 YHIFEKUGKRNUHB-UHFFFAOYSA-N 366.377 4.080 0 40 FIAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1nc(-c2ccc(Cl)cc2)no1 72303654 ATOZLGWJMSSXMB-SECBINFHSA-N 363.751 4.159 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(C=O)cc2)C1 72360815 SCNRUQWXJBLDPD-INIZCTEOSA-N 355.438 4.004 0 40 FIAB CCc1nccn1-c1cccc(C2CCN(CCc3ccccc3)CC2)n1 72378699 ZZNJSBIYQCXGFR-UHFFFAOYSA-N 360.505 4.252 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)cc1 72427467 XAOJSFCHPWGVDE-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB CC(C)C(=O)NC[C@@H]1CCCN([C@@H]2CCc3c(Cl)cc(Cl)cc32)C1 89775683 CQUSTFONQRXFHY-SCLBCKFNSA-N 369.336 4.465 0 40 FIAB O=C(CCCn1ccnc1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 89830384 HOXCUSDIGXOKMK-QFIPXVFZSA-N 359.473 4.032 0 40 FIAB C[C@H]1CC(=O)CC[C@H]1c1nc(-c2ccc(OCc3cccnc3)cc2)no1 95943506 RMHVKRNROVIXOB-IFXJQAMLSA-N 363.417 4.183 0 40 FIAB COc1ccc(CN[C@@H](C)[C@@H](OC)c2ccccc2F)cc1OCC1CC1 95989240 FGOSSAKNMKYADT-OYHNWAKOSA-N 373.468 4.489 0 40 FIAB COc1cc(/C=C(/C(=O)N2CCC[C@@H](C)C2)c2ccccc2)ccc1O 96004268 YKJMBBGPIUFTCC-CXDFQFJYSA-N 351.446 4.200 0 40 FIAB Nc1ccc(Br)cc1-c1nc(C2C3CC4CC(C3)CC2C4)n[nH]1 97105530 WZFLLHQVQZLRPC-UHFFFAOYSA-N 373.298 4.356 0 40 FIAB Cc1ccccc1-n1c(SCc2cnoc2C)nnc1-c1cccnc1 97107162 NRCBNPAHJVFBTJ-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB O=C(Cn1cnc2ccccc21)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206876235 HMTZRSPZYVCZHD-KRWDZBQOSA-N 367.880 4.486 0 40 FIAB COc1ccc2cc(S(=O)(=O)NCCCc3ccc(C)cc3)ccc2c1 223618313 UIJCKCUTGGEYJJ-UHFFFAOYSA-N 369.486 4.068 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=S)Nc1cccc(Cl)c1 225448880 KFGUEVWPVGNYGR-UHFFFAOYSA-N 356.882 4.321 0 40 FIAB COC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCC1 225628439 CPYRHSSQBXDIAE-SFHVURJKSA-N 374.525 4.228 0 40 FIAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N)cc3Br)o2)C1 226304588 KQDCPYPJSGXFCU-NSHDSACASA-N 363.255 4.163 0 40 FIAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)o1 226338748 SZMYJDLAIMGVRI-BJMVGYQFSA-N 372.222 4.164 0 40 FIAB CC[C@H](C)NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257222658 DUFGWHZQEUPELV-KRWDZBQOSA-N 352.478 4.003 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 260767657 OFLDMKVEOKGHNJ-GHTZIAJQSA-N 372.553 4.104 0 40 FIAB O=C(NCCc1cc2ccccc2[nH]1)N[C@H]1CCCOc2cc(F)ccc21 537455207 RWMZDSQHOJMJER-IBGZPJMESA-N 367.424 4.063 0 40 FIAB O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)C1(C(F)F)CCCC1 572219141 CUMCCEXXBWWYGH-HZPDHXFCSA-N 353.409 4.133 0 40 FIAB CCOC(=O)CCCC(=O)c1ccc(Br)c(C(F)(F)F)c1 575362657 SHHTWNKHLLNCSS-UHFFFAOYSA-N 367.161 4.384 0 40 FIAB CCC[C@@H](C)c1cc(NC(=O)c2ccc(Nc3ccn(C)n3)cc2)n[nH]1 616447497 ZYYMAUVSISOWQK-CYBMUJFWSA-N 352.442 4.043 0 40 FIAB O=C(O)CCC1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 656604480 YDSPVLHZHZHFPW-UHFFFAOYSA-N 360.788 4.386 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCC(c4ncc(C)s4)CC3)on2)cc1 683349976 ZWEXPTLDMJYYAT-UHFFFAOYSA-N 367.474 4.435 0 40 FIAB C[C@H]1CSc2ccc(Cl)cc2N(Cc2ccc(S(C)(=O)=O)o2)C1 1327393404 JDZVEABHXONYTI-LLVKDONJSA-N 371.911 4.085 0 40 FIAB C[C@]1(C(=O)N2CCC3(CCN(Cc4cccnc4)CC3)CC2)CC=CCC1 1614948286 XYMZRKBFEUUJQN-QFIPXVFZSA-N 367.537 4.033 0 40 FIAB O=C(Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CC2)c1ccco1 1035674 BTLLATDEVWSWGD-UHFFFAOYSA-N 357.365 4.037 0 40 FIAB O=C(Nc1ccc(Br)cc1Cl)C(Cl)(Cl)Cl 1041914 VVXMPXQGTZFFQU-UHFFFAOYSA-N 351.842 4.411 0 40 FIAB COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)OC3)ccc1O 1442003 UFZIWWNZEIKMCA-OAQYLSRUSA-N 359.381 4.031 0 40 FIAB COc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(C(C)C)cc1 1787453 AWZQOIHAMVLYBI-JLHYYAGUSA-N 353.418 4.014 0 40 FIAB CCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1 2063014 SVLGTVNCBKQLQD-UHFFFAOYSA-N 364.445 4.244 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2cccc(C)c2C)c(=O)c2ccccc21 2071953 YWEWTWWNOLJQLD-UHFFFAOYSA-N 364.445 4.376 0 40 FIAB COC(=O)c1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1 2305664 ASQQSYXQQGXDBY-UHFFFAOYSA-N 356.385 4.222 0 40 FIAB CCn1c(SCc2cccc(OC)c2)nc2sc(C)c(C)c2c1=O 2374798 VKFVQDGPSKKDJH-UHFFFAOYSA-N 360.504 4.396 0 40 FIAB FC(F)(F)c1cccc(-n2c(S)nnc2-c2ccc(Cl)nc2)c1 2570661 FUKJFXCFGLNMAL-UHFFFAOYSA-N 356.760 4.290 0 40 FIAB COc1ccc(C(=O)OCCCC(=O)Nc2c(C)cc(C)cc2C)cc1 2635242 IWOVUKQXYFWHPC-UHFFFAOYSA-N 355.434 4.196 0 40 FIAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)c1ccc(F)c(F)c1 3285865 BAUHTEWCMFHQEV-MRVPVSSYSA-N 352.387 4.440 0 40 FIAB COCCN(CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccccc1 3411764 OGEYFYMLGDDTNU-UHFFFAOYSA-N 354.494 4.206 0 40 FIAB Cc1ccc([C@@]2(CC(=O)NCc3ccco3)CCO[C@@H](C(C)C)C2)cc1 4042826 GKUGLSVBBRHENY-IRLDBZIGSA-N 355.478 4.367 0 40 FIAB biogenic O=C(c1cccs1)N1C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc21 4051057 CJUPNVRNRUXRQN-LBPRGKRZSA-N 352.381 4.396 0 40 FIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(=O)c2ccccc2o1 4194478 UVTTVJFSGSEUOR-UHFFFAOYSA-N 366.373 4.308 0 40 FIAB CCOc1ccc(C(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 4375421 GVUGPELAYOSKQI-UHFFFAOYSA-N 370.449 4.320 0 40 FIAB COCc1c(C(=O)OCC(=O)c2ccc(Cl)s2)oc2ccccc12 5203330 JGCBEGXBSHIWDF-UHFFFAOYSA-N 364.806 4.334 0 40 FIAB COc1cc(OC)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 5454344 LCGZHRGXGFXCCX-QRYOHXEKSA-N 373.493 4.047 0 40 FIAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 5838845 IIBOHIYOSCJVPJ-CQSZACIVSA-N 365.351 4.381 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 7070720 YUJKFVFXGKRWPA-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB COc1ccccc1-n1cnnc1SCc1cc(-c2cccs2)on1 7371223 ICIGKYIIQWGUKA-UHFFFAOYSA-N 370.459 4.285 0 40 FIAB C[C@H](O)c1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)cc1 7540992 PDSVHZRPUVFCPV-AWEZNQCLSA-N 351.402 4.018 0 40 FIAB Cc1ccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 7921720 LIHCLCRUUSATRW-UHFFFAOYSA-N 352.459 4.269 0 40 FIAB COc1ccc(C)cc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 8060959 KWIAEVCJRSLWNF-FNORWQNLSA-N 373.836 4.470 0 40 FIAB CC(=O)N[C@H](C(=O)Nc1nc(-c2cc(C)ccc2C)cs1)C1CCCC1 8778424 RZERMOKJQHMBOD-SFHVURJKSA-N 371.506 4.060 0 40 FIAB CC1(C)COc2cc(NC(=O)c3cccc4ccccc34)ccc2NC1=O 8959212 UBKGQNSRKZMEFW-UHFFFAOYSA-N 360.413 4.449 0 40 FIAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccco1 9141424 USHFVADMAFNSAR-CMDGGOBGSA-N 362.364 4.113 0 40 FIAB COc1ccc([C@H](NC(=O)c2ccc3ccccc3c2)c2nccn2C)cc1 9219858 VXAZKJAJFGQRJH-NRFANRHFSA-N 371.440 4.101 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccnc3)cccc2c1=O 9305949 ODGBHJMZEBKMTQ-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB COc1cccc(N2CCN(C(=S)Nc3ccccc3C(C)C)CC2)c1 9367698 ZGJQFJKTDRNBCA-UHFFFAOYSA-N 369.534 4.338 0 40 FIAB COc1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)c(OC)c1 9388383 LRAZLSOQJAGKCR-QMMMGPOBSA-N 361.250 4.040 0 40 FIAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)cc1C 10214278 LTDNHEONAPFICU-NRFANRHFSA-N 361.489 4.269 0 40 FIAB COc1ccc(SCCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1 10219547 SGSAJJQIRNMPTO-GFCCVEGCSA-N 362.520 4.397 0 40 FIAB COc1ccc(SCCC(=O)Nc2nc(-c3ccncc3)cs2)cc1 10219586 MOTFTJDWIHHYPQ-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)cc1 12760253 DHXSJHBQROIDPE-ZIAGYGMSSA-N 369.436 4.334 0 40 FIAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(Cl)ccc1Cl 12946150 HTVDLWYKXWUHFF-UHFFFAOYSA-N 356.152 4.212 0 40 FIAB Cc1ccc(SCCNC(=O)c2cc(F)ccc2Br)cc1 12980896 UFBIJHBESNVPFA-UHFFFAOYSA-N 368.271 4.419 0 40 FIAB Cc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 13058173 QGRAXCPMBXOFCW-UHFFFAOYSA-N 363.788 4.146 0 40 FIAB COc1ccc(CN(Cc2cccnc2)Cc2cccs2)c(OC)c1 13569718 RTTFFPXXBDDFMD-UHFFFAOYSA-N 354.475 4.363 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 13708919 KWBABOWDAQEHLG-OAHLLOKOSA-N 363.413 4.423 0 40 FIAB CC(C)n1c(S[C@H]2CCCCC2=O)nc2sc3c(c2c1=O)CCC3 14111029 KGWAWHRBXQGNQA-AWEZNQCLSA-N 362.520 4.131 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc(F)cc(F)c1 15081903 PLXXQYRSBJCINQ-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 16476927 AZKTVSANDDIZDL-HZPDHXFCSA-N 367.832 4.251 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCCSCc1ccccc1F 17604346 HFSKSNPVVBSEIV-UHFFFAOYSA-N 353.846 4.151 0 40 FIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 19345305 LQNRLUMTRYVNGN-ZDUSSCGKSA-N 362.408 4.203 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 20110688 QTVYYECJUNOXBI-CYBMUJFWSA-N 361.463 4.140 0 40 FIAB Nc1cc(Br)ccc1NC(=O)c1cccc(Br)c1 20520842 XPBZRASZKYOIBE-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)c(OC)c1 20632732 CKEQYWRFFPHGPD-HNNXBMFYSA-N 362.429 4.111 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(Cl)c2)n1 21168547 KVPFVHGSVFICMP-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB Oc1nc(CN2CCC(Cc3ccccc3)CC2)nc2cc(Cl)ccc12 21822730 HDGPBBHDYVNHJG-UHFFFAOYSA-N 367.880 4.444 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(OC)c1 22514283 VULKLXDLMQKQGN-UHFFFAOYSA-N 368.477 4.188 0 40 FIAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)cc1 27581622 WPUHVIGBUQQYAQ-JOCHJYFZSA-N 366.505 4.026 0 40 FIAB Cc1ccsc1C(=O)Nc1ccc(-n2cc(Br)cn2)cc1 27918108 QEGWEAICDAIKNU-UHFFFAOYSA-N 362.252 4.257 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccn(COc2ccccc2Cl)n1 27972488 OVSKKBCCRMPOTD-AWEZNQCLSA-N 367.836 4.164 0 40 FIAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCc2ccccc21 30946781 SSWSQGVQTKSPIH-IBGZPJMESA-N 352.453 4.017 0 40 FIAB COC(=O)c1cc(NC(=O)COc2ccccc2C(C)C)ccc1Cl 31056728 WTNRKBXWRGPYOI-UHFFFAOYSA-N 361.825 4.268 0 40 FIAB C[C@@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccccc1F 32083930 HIVUSRICLLNTQR-OAHLLOKOSA-N 350.393 4.291 0 40 FIAB CC(=O)Nc1cccc(CNC(=O)c2ccccc2Nc2ccccc2)c1 32359694 VORFKPZRWCKSLA-UHFFFAOYSA-N 359.429 4.319 0 40 FIAB O=S(=O)(c1ccc(F)cc1F)N(Cc1ccco1)c1ccc(F)cc1 32632656 URAKYARBUOCZAR-UHFFFAOYSA-N 367.348 4.092 0 40 FIAB O=C(Cc1csc(-n2cccc2)n1)NCc1ccc(Cl)cc1Cl 32646409 FHPXWAPDNFBXMZ-UHFFFAOYSA-N 366.273 4.100 0 40 FIAB Cc1ccnc(N2CCC[C@@H](C(=O)Nc3ccccc3-c3ccccc3)C2)n1 35313372 JNIXBNUWWQKGJF-LJQANCHMSA-N 372.472 4.307 0 40 FIAB O=C(Nc1cccs1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 35597713 CBIVDWFBWVYTMU-UHFFFAOYSA-N 372.425 4.349 0 40 FIAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 39932764 IIMXQGONZFSONR-GOSISDBHSA-N 352.434 4.100 0 40 FIAB Cc1cc(NC(=O)[C@H](SCCOc2ccccc2)c2ccccc2)no1 40012659 NZXLAUOSKLATOY-LJQANCHMSA-N 368.458 4.475 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1OC 40107075 WEHXWGPGPNBQBM-UHFFFAOYSA-N 368.364 4.283 0 40 FIAB O=C(O)[C@H](Cc1ccc(Br)cc1)Oc1ccc(Cl)cc1 40845376 BUNLZJBBDDYASB-AWEZNQCLSA-N 355.615 4.177 0 40 FIAB COc1ccc(NC(=O)c2csc(NCc3ccccc3)n2)c(OC)c1 44901967 SKBJAVQSQQFDHW-UHFFFAOYSA-N 369.446 4.025 0 40 FIAB CC(C)c1nccn1Cc1cccc(NC(=O)Cc2ccccc2F)c1 48367489 ZMPAQBWBZSGYIJ-UHFFFAOYSA-N 351.425 4.375 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H]1CCOc2ccccc21 57974089 VEKQUVATMNMVIQ-OAHLLOKOSA-N 356.472 4.054 0 40 FIAB CCc1n[nH]c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)n1 58018054 XOTXULJHXDBRMZ-ZDUSSCGKSA-N 352.463 4.473 0 40 FIAB COc1ccc(-c2n[nH]c(SCc3cccc(Cl)c3)n2)c(OC)c1 66006075 PFQJBHZJTNOQCD-UHFFFAOYSA-N 361.854 4.435 0 40 FIAB Cc1cc(-c2cnc(NCc3cccnc3)nc2-c2ccc(C)s2)on1 72337395 WBCMOBRUWRUAHR-UHFFFAOYSA-N 363.446 4.484 0 40 FIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 72379057 NMOVLGNDHLNDOK-GOSISDBHSA-N 361.493 4.165 0 40 FIAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc2cccc(Cl)c2s1 72404236 PFPAHHHAVLEFMY-UHFFFAOYSA-N 368.849 4.447 0 40 FIAB O=C(OC1CN(c2nc3c(Cl)cccc3s2)C1)c1ccsc1 75172332 UOQONUZAAARXDO-UHFFFAOYSA-N 350.852 4.057 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)Nc1ccc(Oc2ncccn2)cc1 84595075 XIGFUYLOLOAKRK-JLHYYAGUSA-N 368.396 4.469 0 40 FIAB O=C1CCC(=O)N1C1CCC(N[C@H]2CCCC[C@H]2C2=CCCCC2)CC1 90854797 WUBLBBMREYEIKM-GUMHCPJTSA-N 358.526 4.095 0 40 FIAB Cc1ccc(C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C)cc1 100313267 LIPCTGGFOGLSIF-DYVFJYSZSA-N 361.363 4.382 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@H](C(C)=C[C@@H]1C)[C@@H]2C 100648864 UFMOTNAISQKEDK-LOUMZVKCSA-N 357.494 4.222 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)[nH]1 224416355 ZKGMQCDTPKXONO-MSOLQXFVSA-N 352.438 4.034 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1Cl 224470212 UIGZABDIXCANBH-KRWDZBQOSA-N 361.869 4.309 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccccc1OC 224573274 NZJZOUQQLBZNJF-OAHLLOKOSA-N 357.450 4.201 0 40 FIAB O=C(NCc1ccco1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265458 SUKBYIOYMLMADR-UHFFFAOYSA-N 351.793 4.406 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)N[C@@H](C)CC 225612508 FOXXMCLIMDGXCM-YOEHRIQHSA-N 352.906 4.162 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccccc2C)c1 225753864 FFIIRXCKCPCOHQ-LBPRGKRZSA-N 362.882 4.483 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225838587 RZBZPYLOGNYFHK-JLTOFOAXSA-N 365.470 4.184 0 40 FIAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(/C=C/C(=O)O)c2)cc1 226323012 PLQQVIBATZRSRR-IZZDOVSWSA-N 368.458 4.035 0 40 FIAB Cc1ccc(-c2nnc([C@H]3CCCN3C(=O)CCc3ccccc3)o2)s1 257269914 MRYJCGCRASLBPQ-MRXNPFEDSA-N 367.474 4.403 0 40 FIAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1ccc2nsnc2c1 390827506 YXERNHPTFGXCPP-HNNXBMFYSA-N 357.485 4.334 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)cc1 408680209 PVCHDFDVWRSTLK-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB COc1ccc(CCCC(=O)N[C@H]2NC(c3ccccc3)=C(C)S2)cc1 408908090 DMPNGGSQDXVVII-NRFANRHFSA-N 368.502 4.143 0 40 FIAB CCOc1cc(/C=C\C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 409416187 UNFAVXXUUYOSCQ-YWEYNIOJSA-N 366.244 4.470 0 40 FIAB COc1cnccc1[C@H](C)NC(=O)N1CCC[C@@H]1c1c(C)cccc1C 661053020 ZSEOHCGPQIWMHF-FUHWJXTLSA-N 353.466 4.315 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCc2ccco2)N1c1cccc(F)c1 1615122047 PEKPINRIIAQSMF-PMACEKPBSA-N 370.468 4.400 0 40 FIAB CCOc1ccc2nc(SCC(=O)NCc3ccccc3)sc2c1 811259 SEZIVXOOYNJNCY-UHFFFAOYSA-N 358.488 4.104 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(Cl)c1 812078 GRTBBPGUQXESCD-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccccc1Cl 930760 FVRKTBJECNUBQQ-UHFFFAOYSA-N 369.852 4.009 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 934656 NSZYOQFORVICMU-GFCCVEGCSA-N 364.239 4.254 0 40 FIAB C[C@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1923033 KTZMGMACZNOXBH-VIFPVBQESA-N 356.180 4.317 0 40 FIAB CSc1nc2nc3c(cc2c(=O)n1-c1cccc(Cl)c1)CCCC3 2374500 BWKIUVVYOXNPDT-UHFFFAOYSA-N 357.866 4.035 0 40 FIAB CC(C)(C)c1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1 2435937 JUIFHBNRYBVQCB-UHFFFAOYSA-N 361.236 4.068 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(F)cc(F)c1 2638773 UDOZGGJPPJVMRM-UHFFFAOYSA-N 368.387 4.202 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)ccc2C)c1 2723131 KCLXFYCHDHCFJA-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 2760883 IALKDVQCLHQWAN-AWEZNQCLSA-N 355.434 4.397 0 40 FIAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)n1nnc2ccccc21 3217390 KQBZTTHWHDYGHQ-UHFFFAOYSA-N 371.425 4.034 0 40 FIAB Cc1ccc([C@]2(CC(=O)NCc3ccco3)CCO[C@@H](C(C)C)C2)cc1 4042821 GKUGLSVBBRHENY-IFMALSPDSA-N 355.478 4.367 0 40 FIAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)Cc2cccs2)CSC3)c(C)c1 4087555 ASZGKUINXVXLKK-UHFFFAOYSA-N 369.515 4.479 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc4c(c3)CCCC4)sc2c1 4088364 HPBVYNIRPAVKFM-UHFFFAOYSA-N 365.458 4.386 0 40 FIAB CCc1cccc2sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)nc12 4348362 AUAMXSLKNSMXAS-UHFFFAOYSA-N 372.446 4.137 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 4921159 PXMCIMRDCAETLR-KRWDZBQOSA-N 363.461 4.115 0 40 FIAB CCCOc1ccc(-c2nc(NCCC(=O)OC)c3ccccc3n2)cc1 5046984 AKCWAJHRSZUXAW-UHFFFAOYSA-N 365.433 4.061 0 40 FIAB CC(=O)NCCCc1ccc(C(=O)CSc2ccc(C)cc2C)cc1 5085043 XZSFVNZJXXNUMW-UHFFFAOYSA-N 355.503 4.347 0 40 FIAB COc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 5515212 WRAIYKMZAGHETK-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6295976 RMZGNTIBXZALBK-YVLHZVERSA-N 370.405 4.021 0 40 FIAB CCCCc1ccc(C(=O)CSc2nnc3nc(C)cc(C)n23)cc1 6326366 JSAGOWXNKJUMBD-UHFFFAOYSA-N 354.479 4.059 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 6881641 KPZPSEICMXVKNF-UHFFFAOYSA-N 353.447 4.085 0 40 FIAB CN(C)c1cccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)c1 6983694 XMPKHVVOIPEERU-UHFFFAOYSA-N 356.809 4.418 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nncs2)c2ccccc2)c1 7194240 YJCFSDYQHINULI-INIZCTEOSA-N 369.471 4.213 0 40 FIAB COc1ccc2cc(C(=O)NCc3ccccc3CN3CCCC3)ccc2c1 8039921 PZDKFVOFPGYELB-UHFFFAOYSA-N 374.484 4.374 0 40 FIAB C[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1Br 8088469 NBQKQJXVJVVUSZ-LLVKDONJSA-N 368.658 4.359 0 40 FIAB O=C(NC1CC1)c1ccccc1NCCOc1ccc(Cl)cc1Cl 10765880 DPWIOVWZCHMJEV-UHFFFAOYSA-N 365.260 4.377 0 40 FIAB COc1ccc(CCC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc1 12235700 ISLSIXQWVQJWRO-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1cccs1 12341983 FHDJPFJEHKSAKG-UHFFFAOYSA-N 361.426 4.066 0 40 FIAB CSc1ncc(C(=O)OCc2nc3ccccc3o2)n1-c1ccccc1 12535472 AUSLXRHVJSEZQM-UHFFFAOYSA-N 365.414 4.092 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(C)c(F)c2)cc1Br 12822726 GIAYVAFMZGJYNL-UHFFFAOYSA-N 366.230 4.477 0 40 FIAB C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc(Br)cc1 12885302 DRGGEXIIJYRJAU-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(Cl)cc1F 12979835 OWYOGAKBCYACFP-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(F)cc3F)cc2)cs1 12993496 FACCKLXORBUJFP-UHFFFAOYSA-N 358.413 4.369 0 40 FIAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(NCc3ccco3)n2)cc1 14229361 BSNOXBWNXZXVPT-AWEZNQCLSA-N 369.490 4.472 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14235677 WKDVOSINHSVWIW-CJNGLKHVSA-N 369.431 4.012 0 40 FIAB CCN1C(=O)[C@@H](Cc2cc(Br)ccc2OC)c2ccccc21 15018163 XSPSJMDAEFTULK-HNNXBMFYSA-N 360.251 4.151 0 40 FIAB Cc1c(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)sc2ccccc12 17735803 YPHAVXUMYOZBMY-UHFFFAOYSA-N 368.845 4.456 0 40 FIAB CCCC(=O)N1CCC(c2noc3nc(CC)cc(C(F)(F)F)c23)CC1 19501149 MSBFXCBXKNWLDG-UHFFFAOYSA-N 369.387 4.310 0 40 FIAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CN2CCCC2=O)c1 19717161 QUTYOUIDLVHCOY-HXUWFJFHSA-N 368.452 4.171 0 40 FIAB COc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1Cl 21170967 SUALCRQTHBXZJO-KRWDZBQOSA-N 364.917 4.219 0 40 FIAB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCCC1 21935743 GSCYDTZKUGHBJO-QGOAFFKASA-N 366.848 4.448 0 40 FIAB CS(=O)(=O)c1cccc(C(=O)OCc2ccc(-c3ccccc3)cc2)c1 22529309 JAYYOSOLINIMMD-UHFFFAOYSA-N 366.438 4.114 0 40 FIAB O=C(NCC1CCN(Cc2ccco2)CC1)c1ccc(Cl)c(Cl)c1 23128020 QUERJOXTHUAUGF-UHFFFAOYSA-N 367.276 4.228 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)C1CCC(C(C)(C)C)CC1)N(C)C 23985071 JXEBDYHZPXWUAY-FAFZWHIHSA-N 360.542 4.267 0 40 FIAB Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)on1 24504152 KFDGQOJQWJCRDH-HNNXBMFYSA-N 363.417 4.069 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2ccccc2s1 25919225 ZOLOKBYEWONVPH-AWEZNQCLSA-N 362.458 4.315 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)cc1 28291885 IIECWIZMVMLGPE-JOCHJYFZSA-N 366.505 4.431 0 40 FIAB CC(C)c1cccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)c1 29275328 RGRSKGWNHBOGJU-UHFFFAOYSA-N 361.825 4.024 0 40 FIAB Cc1cccc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)c1 32610457 GVBZTUMAMWSESM-UHFFFAOYSA-N 353.397 4.236 0 40 FIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1OCC)C2 35291735 GNZXPUPDECYQNH-ALOPSCKCSA-N 361.555 4.167 0 40 FIAB CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104727 RLVVRAFICHNSJZ-LRDDRELGSA-N 374.485 4.019 0 40 FIAB Cc1ccc(OCc2nc(COC(=O)/C=C/c3ccncc3)cs2)cc1 51176330 OSCSLJPJGDQUIW-QPJJXVBHSA-N 366.442 4.182 0 40 FIAB CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)c2cc(F)ccc2F)c1 56283759 AFPYRZWFPQMQAJ-LLVKDONJSA-N 374.416 4.357 0 40 FIAB O=C(NCc1ccccn1)N1CCc2sccc2[C@@H]1c1cccs1 57768720 AETYWJDJAPDBGH-QGZVFWFLSA-N 355.488 4.062 0 40 FIAB COC(=O)c1cc2ccccc2cc1NC(=O)C1=NO[C@@H](c2ccccc2)C1 64805735 RUTOTJJJFYBUQK-HXUWFJFHSA-N 374.396 4.083 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(N2CCCCCC2)nc1 65593348 DFMFSCMYKGCDKH-XYOKQWHBSA-N 369.896 4.445 0 40 FIAB COCCn1c(SCc2ccc(C)c(C)c2)nc2ccsc2c1=O 67259777 FHWRDFSLEICMBU-UHFFFAOYSA-N 360.504 4.014 0 40 FIAB CCCCCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 67323922 FEVKUWZAPGPAAW-UHFFFAOYSA-N 368.481 4.179 0 40 FIAB CCN(CC)Cc1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn12 71260558 CQYYHGCWYDIFJY-UHFFFAOYSA-N 363.490 4.362 0 40 FIAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccccn3)N1CC2 72342211 XDKQIQFOFMJEQJ-PKTZIBPZSA-N 373.456 4.171 0 40 FIAB Cc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)n1C1CCCCC1 95423316 MYISKFYYPGHLQT-GCJKJVERSA-N 358.526 4.377 0 40 FIAB CCCNC(=O)CCCC(=O)O[C@H](C(F)(F)F)C(C)(C)c1ccccc1 95458086 PTBRQWWDTPSCRS-KRWDZBQOSA-N 373.415 4.135 0 40 FIAB CC[C@@H](C)CN(C)C(=O)NCc1cccc(Cn2cnc3ccccc32)c1 95958312 MPQBCYCXMNCJDQ-QGZVFWFLSA-N 364.493 4.272 0 40 FIAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)c1 96183730 SCDKXFPLJTYLNR-HSZRJFAPSA-N 374.484 4.444 0 40 FIAB COc1ccc(C(=O)CCc2cccc(OC(F)(F)F)c2)cc1OC 199729001 KQNSDKFFPXPZAR-UHFFFAOYSA-N 354.324 4.418 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1Cl 219055668 SPDFGIJPMXLFKI-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB CCCc1ccc(OCCNC(=O)CCCOc2ccc(OC)cc2)cc1 224146948 NHUDYOSWBJENOF-UHFFFAOYSA-N 371.477 4.002 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)C1(c2ccccc2)CCCC1 224518148 SULVREMVKNHPBJ-UHFFFAOYSA-N 362.517 4.411 0 40 FIAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccccc1OC 224573156 ZWMWZWMKCMDRMD-UHFFFAOYSA-N 357.450 4.059 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 225379346 IMSRSKULAWRFPC-HNNXBMFYSA-N 367.445 4.148 0 40 FIAB CC(C)OC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 225485740 JCKLHJDZRKYWDC-UHFFFAOYSA-N 352.478 4.293 0 40 FIAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc3c(c2)OCO3)c1 225564794 KAUKQYGWBNTMML-UHFFFAOYSA-N 372.490 4.122 0 40 FIAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1C 225738716 UXPRJKDNKLWZPC-KRWDZBQOSA-N 353.535 4.431 0 40 FIAB CCn1nc(C)c2nc(C(C)C)nc(Nc3cc(OC)ccc3OC)c21 226688476 NXNYGXAHXCIKRE-UHFFFAOYSA-N 355.442 4.039 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(OC)cc(OC)c1 408625736 FJFZIEDLZTUUNJ-CYBMUJFWSA-N 372.490 4.344 0 40 FIAB Cc1cc(C)cc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)c1 409384079 ZPMRRIBZKDEPQL-UHFFFAOYSA-N 368.296 4.032 0 40 FIAB CNc1nnc(CC(=O)N[C@@H](c2ccccc2C)C2CCC(C)CC2)s1 680580075 ORFWLCXVVPXTNR-TYJKZOGGSA-N 372.538 4.115 0 40 FIAB Cc1ccc2cccc(NC(=O)N3CC[C@H](N(C)c4ccccc4)C3)c2n1 1623041063 PGUKCAKNCZJILG-IBGZPJMESA-N 360.461 4.286 0 40 FIAB CSc1nnc2c(n1)O[C@H](/C=C/c1cccs1)Nc1ccccc1-2 688785 XJIATFXAZKNUNA-MYSGNRETSA-N 354.460 4.166 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)o2)c1 856429 OXQQPPSRWDECKW-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB COc1cc(C(C)=O)ccc1OC(=O)COc1ccc(Cl)cc1Cl 940126 YZKNPZJUMQHZRV-UHFFFAOYSA-N 369.200 4.189 0 40 FIAB CCOC(=O)c1sc2ncnc(N(CC)Cc3ccccc3)c2c1C 957766 IASMDWGZFMOVGT-UHFFFAOYSA-N 355.463 4.203 0 40 FIAB CCOC(=O)[C@@H](C)Oc1c(-c2ccco2)oc2c(C)cc(C)cc2c1=O 1292024 BZKFEXGAGHJWJH-CYBMUJFWSA-N 356.374 4.000 0 40 FIAB O=C(Nc1ccccc1)NC1(C(=O)Nc2cccc(F)c2)CCCCC1 1346970 KXYXJKGDWBVGHK-UHFFFAOYSA-N 355.413 4.289 0 40 FIAB COc1ccc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1OC 1518344 XWNSYKWTDIIXGE-UHFFFAOYSA-N 366.442 4.178 0 40 FIAB COc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2ccc(C)cc2)S3)cc1 2338043 XIWUCXVWFDNPOY-MRXNPFEDSA-N 351.431 4.139 0 40 FIAB Cc1nc2oc3c(N4CCC[C@H](C)C4)ncnc3c2c2c1COC(C)(C)C2 2437797 PMKZPCOATNBQOU-LBPRGKRZSA-N 366.465 4.167 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 2627838 MALZSPIUFLUITG-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB COc1ccc(C)cc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 2628260 MQQQPSSFXKVTHA-UHFFFAOYSA-N 369.852 4.463 0 40 FIAB O=C(C[C@H](SCCO)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 2708525 XATKNMVXXHFTEM-SFHVURJKSA-N 364.850 4.108 0 40 FIAB Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccc(F)cc1 3111126 LFDAFOQMQFDTOQ-UHFFFAOYSA-N 365.195 4.274 0 40 FIAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1cccc(Br)c1 3314851 QGNMHDSQWCWSDA-AWEZNQCLSA-N 362.267 4.126 0 40 FIAB COc1cc(/C=C/C(=O)OCc2c(Cl)cccc2Cl)ccc1O 3337516 YFDMEOZDHFKLNC-SOFGYWHQSA-N 353.201 4.464 0 40 FIAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccccc1 3356371 DINKHPOPEIXZHG-CYBMUJFWSA-N 370.503 4.270 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C(N)=O)C1 3358080 OLVAUNIOIAFQMH-GFCCVEGCSA-N 374.531 4.093 0 40 FIAB COc1ccc(Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 3500604 MOJHQKQAFCEAOH-UHFFFAOYSA-N 357.460 4.265 0 40 FIAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1cccc(Br)c1 3904931 PDIXGTGFDXWHMR-MELADBBJSA-N 354.288 4.257 0 40 FIAB CCOc1ccccc1C(=O)N1CCN=C1SCc1ccccc1C 4120007 DKJVGVARPYKXQD-UHFFFAOYSA-N 354.475 4.139 0 40 FIAB CCCNC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 4221098 CWRJQUWNUHCNOI-UHFFFAOYSA-N 373.909 4.356 0 40 FIAB CC(C)(C)C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 4389731 XWVLVENCMHWSMU-UHFFFAOYSA-N 368.458 4.373 0 40 FIAB CC(C)C(=O)N1CCCc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 5099453 BEGYZTILIPWUDC-UHFFFAOYSA-N 370.880 4.456 0 40 FIAB O=C(O)c1ccccc1Nc1ncc(-c2nc3cc(Cl)ccc3o2)cn1 5338244 JQWMJBDDPPMZMH-UHFFFAOYSA-N 366.764 4.380 0 40 FIAB CC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 6415526 QNSRPIGSKYPQKV-UHFFFAOYSA-N 350.248 4.058 0 40 FIAB C[C@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 6454928 JBVTWEBCQFQXDE-LBPRGKRZSA-N 372.881 4.095 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc(C)c(C)c2)cc1F 7077826 BLCHCDQLDGHLHC-OAHLLOKOSA-N 357.425 4.291 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(OC(F)F)cc2)cc1 7421157 XOESRIAKSXBXPD-AWEZNQCLSA-N 362.420 4.309 0 40 FIAB CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=S)NC1CC1 7659971 CILGQZQCMGHSHS-UHFFFAOYSA-N 364.467 4.180 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 7928675 WRJWNKMZFLKRNU-SJORKVTESA-N 351.446 4.467 0 40 FIAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8434233 OZDFQKNDVVJVQM-UHFFFAOYSA-N 370.408 4.302 0 40 FIAB COc1ccc(-c2noc(COC(=O)c3ccc(C(C)C)cc3)n2)cc1 8492248 XVHCKPFIHRLZSV-UHFFFAOYSA-N 352.390 4.226 0 40 FIAB O=C(Nc1c(F)cccc1F)C1CCN(Cc2ccccc2Cl)CC1 9063247 FCFATKRJQISXFY-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 9198922 SHRPBORZWGQUCG-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB Cc1cccc(C)c1OCC(=O)NCc1csc(-c2ccccc2)n1 10893572 PMIGYOLGRYCKEZ-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB O=c1cc(NCCC(c2ccccc2)c2ccccc2)nc2ccccn12 10973453 CRTXSSNRBHSZSD-UHFFFAOYSA-N 355.441 4.329 0 40 FIAB Cc1cc(NC(=O)Cc2c(F)cccc2Cl)ccc1N1CCCC1=O 11740378 VLZDQDXUAWKRRR-UHFFFAOYSA-N 360.816 4.096 0 40 FIAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)N1CCSCC1 12389807 HDVXALIRWKMHRV-UHFFFAOYSA-N 373.330 4.235 0 40 FIAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(Cl)cn3)cc2)CC1 12629540 WWBUSTJSMBRZLH-HNNXBMFYSA-N 372.900 4.410 0 40 FIAB CN(Cc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 12752572 QNZRARYMSBSCML-UHFFFAOYSA-N 357.413 4.405 0 40 FIAB O=C([C@@H](N[C@@H]1CCSc2c(F)cccc21)c1ccccc1)N1CCCC1 12794177 NUTWLMSUYROVEI-MOPGFXCFSA-N 370.493 4.316 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 13012468 HDSNKIPXQIMZJN-UHFFFAOYSA-N 358.441 4.232 0 40 FIAB CCOc1ccc(C(=O)N(CC)Cc2cc3cc(C)ccc3nc2O)cc1 13479877 IGXGIYAXEOVKQX-UHFFFAOYSA-N 364.445 4.310 0 40 FIAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NCc1ccc(Cl)cc1 13732241 VOBGZZAFOJJBEP-KRWDZBQOSA-N 374.893 4.292 0 40 FIAB COc1cc(NC(=O)CN(C)Cc2ccc(C(C)(C)C)cc2)cc(OC)c1 16585248 SSUCSRGXNOMCJJ-UHFFFAOYSA-N 370.493 4.072 0 40 FIAB COC(=O)c1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1 16722413 PUBQENAJRPYWBO-FMIVXFBMSA-N 371.462 4.024 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 16753975 OBUGSZQWOXUWIW-FQEVSTJZSA-N 372.896 4.306 0 40 FIAB biogenic Cc1[nH]c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc1Cc1ccccc1 17704267 GSPHVEOVAVQIIU-LJQANCHMSA-N 365.502 4.231 0 40 FIAB CCCNc1nnc(S[C@H](C)C(=O)Nc2ccccc2SC)s1 19298704 NRHBTEYAVFEEGC-SNVBAGLBSA-N 368.553 4.201 0 40 FIAB COCCCN(Cc1ccccn1)Cc1c[nH]nc1-c1ccc(Cl)cc1 19593274 QALLUBRPAAAPPX-UHFFFAOYSA-N 370.884 4.164 0 40 FIAB CCN(C(C)=O)[C@@H]1CN(C(=O)c2cc3ccccc3o2)C2(CCCCC2)C1 19703826 GREKOBQILSGDOR-SFHVURJKSA-N 368.477 4.219 0 40 FIAB CC[C@@H](CN1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1 19719497 QRYISQGATPNWRW-NRFANRHFSA-N 363.509 4.232 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20143729 AFKBDVBCONTIHT-UHFFFAOYSA-N 357.793 4.110 0 40 FIAB Cc1sc(NC(=O)c2ccccc2)c(CN2C[C@H](C)O[C@@H](C)C2)c1C 20193320 ZJNRPIARPYQOCU-KBPBESRZSA-N 358.507 4.226 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(OC)cc1 20492603 ULGARGVQSXSAJH-OAQYLSRUSA-N 363.457 4.365 0 40 FIAB Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C)cc2)cs1 24210754 YQBMJOHBXGHPDG-LJQANCHMSA-N 365.458 4.227 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1occc1-c1ccccc1 24836685 HCFPLKQDHCHXPE-IBGZPJMESA-N 364.445 4.497 0 40 FIAB Cc1ccc(OS(=O)(=O)c2ccc(F)cc2Cl)c2c1[C@@H](C)CC2=O 24839132 ANFUSZKNVKERFT-JTQLQIEISA-N 368.813 4.245 0 40 FIAB Cc1c(C(=O)NCc2ccccc2Cn2ccnc2)oc2c(F)cccc12 25666034 QYWBOJAOVIMBAG-UHFFFAOYSA-N 363.392 4.055 0 40 FIAB CC(C)CCOc1ccc(C(=O)[C@H](c2ccccc2)N2CCOCC2)cc1 26532590 LDPNGDKPVIUPAM-QFIPXVFZSA-N 367.489 4.368 0 40 FIAB Cc1nn(-c2ccc(NC(=O)COc3ccccc3)cc2)c(C)c1Cl 27925162 NQLJIKIMVZAZBS-UHFFFAOYSA-N 355.825 4.160 0 40 FIAB Cc1nc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 32787328 ALYGPQSAHVMKNO-LBPRGKRZSA-N 372.831 4.201 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)Cc1coc(-c2ccc(OC)cc2)n1 36394301 OBTUMPDRPBGJKF-UHFFFAOYSA-N 366.417 4.101 0 40 FIAB O=C(CC[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 40073777 POIUUSSWKGMCJN-AWEZNQCLSA-N 356.388 4.203 0 40 FIAB CN(c1ccc(NC(=O)NCC[C@H]2CCCO2)cc1F)C1CCCCC1 40145372 MIEUXWGEAAGLDY-QGZVFWFLSA-N 363.477 4.285 0 40 FIAB Cc1nccn1-c1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCC4)cn1 40150098 VEZKXIUNFWJOOA-UHFFFAOYSA-N 371.444 4.188 0 40 FIAB O=C(Nc1cc(F)ccc1C(=O)Nc1nc(C2CC2)cs1)c1ccoc1 48251906 ZGSBGVLMTZDPKI-UHFFFAOYSA-N 371.393 4.257 0 40 FIAB C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)C[C@@H](c2ccccc2)O1 48355314 LZXNERIFFIEZDF-CLCXKQKWSA-N 359.853 4.096 0 40 FIAB Cc1ccc(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c(C)c1 49007097 INSGPRDUMZWROA-UHFFFAOYSA-N 364.474 4.195 0 40 FIAB C[C@H]1C[C@H]1c1ccc(CN(Cc2nc(-c3cccnc3)no2)C2CC2)o1 51183328 PXIXDKHMCISIEW-SUMWQHHRSA-N 350.422 4.013 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@@H]1CCc1ccccc1 55486804 MEWNLPVDEORCSB-GZKZCVOOSA-N 357.885 4.019 0 40 FIAB CCn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2ccccc21 57354768 UMGIGRAYBZVUFC-UHFFFAOYSA-N 351.793 4.392 0 40 FIAB O=C(NC1CCCCCC1)NC1CCN(c2nc3ccccc3s2)CC1 62539883 AAOIPHQOTUAOCX-UHFFFAOYSA-N 372.538 4.287 0 40 FIAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1cccs1 71326499 IHTNGLOSOQCUND-UHFFFAOYSA-N 357.504 4.098 0 40 FIAB Cc1cc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c(F)cc1F 72313249 VXPYWVSGLJCKLG-UHFFFAOYSA-N 363.389 4.183 0 40 FIAB c1ccc(CCN2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 72375936 PXOYXFBPHYHAMA-LJQANCHMSA-N 359.477 4.037 0 40 FIAB OC1=Nc2c(cnn2Cc2cccs2)[C@H](c2ccc(O)c(Cl)c2)C1 72405075 ZLPFEVXOYWULNH-LBPRGKRZSA-N 359.838 4.476 0 40 FIAB C[C@@H]1C[C@@H]1[C@H](NC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1 74747838 PPVRBMPYYOTJTK-HUHSQHJXSA-N 372.900 4.349 0 40 FIAB O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2cnn(Cc3ccco3)c2N1 78549359 WNSDVEAMEZARRH-GFCCVEGCSA-N 362.216 4.305 0 40 FIAB O=C(Nc1cccc(CC(F)(F)F)c1)c1ccc(Cn2ccnc2)cc1 81265021 UGIWZPVZTNLTQO-UHFFFAOYSA-N 359.351 4.289 0 40 FIAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](C)CC(=O)c1ccccc1F 84131457 IYOOLUFDYNEYMU-CABCVRRESA-N 357.425 4.229 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2C2CCCCC2)[C@H](c2ccc3c(c2)OCO3)S1 85411978 PFHJTRFTPKVTLI-KRWDZBQOSA-N 371.462 4.296 0 40 FIAB CN(Cc1cccc(C(F)(F)F)c1)Cc1csc(-c2ncccn2)n1 89361500 IFCKQKVRGMPCEJ-UHFFFAOYSA-N 364.396 4.251 0 40 FIAB Cc1ccc(N(C)C(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 95959098 ZZWIXSXELASHCD-UHFFFAOYSA-N 361.844 4.499 0 40 FIAB Cc1cccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193878 OICXWZLNFFGVFY-UHFFFAOYSA-N 362.414 4.486 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C)N=O 100362891 YRZPDZKJZDPQIF-FVZVSQOCSA-N 374.525 4.253 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102123962 TXZJCTHXXPCYDM-BHPKHCPMSA-N 374.550 4.373 0 40 FIAB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1cccc(Cl)c1 216906797 ZYFNGISVCHCXJU-SOFGYWHQSA-N 357.797 4.063 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1C 219068255 KBYCPCJCWKRRSG-INIZCTEOSA-N 355.434 4.195 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C 224991265 YWYFIGNYIPRBJH-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB CCOC(=O)c1cc(NC(=O)CCc2ccc(OC)cc2)ccc1Cl 225315764 CISZLBSUBAEANE-UHFFFAOYSA-N 361.825 4.097 0 40 FIAB CN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 226285832 MXWAEFBYRJFLHW-UHFFFAOYSA-N 362.307 4.210 0 40 FIAB CC[C@H](C)NC(=O)CC12C[C@@H]3C[C@H](C1)CC(CC(=O)N[C@H](C)CC)(C3)C2 248238832 NPNUTFMKWBAEBC-SHFBKJGYSA-N 362.558 4.183 0 40 FIAB O=C(N[C@H](c1ccsc1)c1cccs1)c1ccc2nsnc2c1 390827507 YXERNHPTFGXCPP-OAHLLOKOSA-N 357.485 4.334 0 40 FIAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408668935 RKYSLNWTJJTBAC-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB O=c1cc(-c2ccccc2)[nH]c2cc(-c3cccc(Br)c3)nn12 408947856 DGLDSJYYZGCJSO-UHFFFAOYSA-N 366.218 4.119 0 40 FIAB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)NC1=S 409084453 VKUFZPBIXAUQRA-UYRXBGFRSA-N 366.486 4.042 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)c1cc2ccccc2s1 1775965444 RFLNJJAQDKONHD-ZDUSSCGKSA-N 353.399 4.218 0 40 FIAB Cc1nc2ccccc2c(=O)n1CC1CCN([C@@H](C)c2ccccc2)CC1 1888930392 BWFKSIYIAJEGKX-KRWDZBQOSA-N 361.489 4.178 0 40 FIAB COc1cccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c1 1088611 URECFEJDTJKWFR-UHFFFAOYSA-N 373.474 4.453 0 40 FIAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2ccc(F)cc2)s1 1342183 YZSXDOPRBNYHHX-UHFFFAOYSA-N 374.481 4.291 0 40 FIAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCc1c[nH]c2ccccc12 2087546 OBLAUFQDSRJZNV-UHFFFAOYSA-N 362.820 4.255 0 40 FIAB biogenic COC(=O)c1ccc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)o1 2101321 FKXSVZXWDJGBTE-UHFFFAOYSA-N 372.373 4.265 0 40 FIAB biogenic CC(C)CCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21 2254214 NGBRBFNCHBABBL-UHFFFAOYSA-N 354.454 4.026 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 2295090 YGDOCPYWPSUIRU-SJKOYZFVSA-N 356.491 4.459 0 40 FIAB COc1cc(C(=O)Nc2cc(C(C)C)c(O)cc2C)cc(OC)c1OC 3078400 KRFIDALXOQNKRT-UHFFFAOYSA-N 359.422 4.102 0 40 FIAB CCc1cccc(C)c1NC(=O)COc1ccc(F)cc1Br 3519535 MMACSVRHJFVOTF-UHFFFAOYSA-N 366.230 4.477 0 40 FIAB CC(C)NC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 4085394 UJOZVXJGYMEIBS-UHFFFAOYSA-N 373.412 4.250 0 40 FIAB biogenic CCSc1nc2c(c(=O)n1-c1cccc(C(F)(F)F)c1)SCC2 4358856 SRMDXGLWEKBMCU-UHFFFAOYSA-N 358.410 4.012 0 40 FIAB COc1ccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 4433425 WAGZUQJAEBOUDY-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4504992 PWVCWYOKBWHQDQ-INIZCTEOSA-N 365.216 4.134 0 40 FIAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc2c(s1)CCC2 4581513 ZALDRKXUWOOUMX-UHFFFAOYSA-N 350.823 4.114 0 40 FIAB Clc1ccc(/C=C/c2nc3ccccc3nc2N2CCOCC2)cc1 4648772 IETXOCNXMZDFCB-JXMROGBWSA-N 351.837 4.290 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4ccccc4OC)nnc3s2)cc1 4664941 QUTCMDIQERSYDW-FMIVXFBMSA-N 364.430 4.040 0 40 FIAB Cc1cccn2c(NCc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc12 4848437 QCEYSMAZGGLLOY-UHFFFAOYSA-N 373.412 4.356 0 40 FIAB CCN(CC)CCCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12 4969539 LZTRIVPSCQFFFA-UHFFFAOYSA-N 351.498 4.157 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(-c2nnco2)cc1 5209270 UGOXAXWBLSEULX-CQSZACIVSA-N 351.406 4.268 0 40 FIAB Cc1cccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)c1 5269474 MNXBSUBJDGCDDT-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB COc1ccc(C)cc1CSc1nnc(-c2ccccc2OC)n1C 5319393 IRIOOTAGLATZQS-UHFFFAOYSA-N 355.463 4.100 0 40 FIAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccco1 5487992 USSAXBXPUIWTPI-VQHVLOKHSA-N 361.357 4.143 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1 5538939 QLZCUBKZNOJELH-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB CC(=O)c1ccc(OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 5654262 QMDAERKIBYPYNR-UHFFFAOYSA-N 353.418 4.136 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)c1ccc(Cl)cc1 6066274 GGOAWAYAVOJQAA-SOFGYWHQSA-N 369.598 4.135 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(Br)cc1 6200293 QGRSOGCHFFLVAA-ZHACJKMWSA-N 362.223 4.118 0 40 FIAB CCOCCCNC[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 6537357 OKAAAOOABNJQNS-LJQANCHMSA-N 365.558 4.156 0 40 FIAB COCCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C 7028272 DESHPPPJVGVNFL-UHFFFAOYSA-N 374.506 4.075 0 40 FIAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(C)C 8041052 XWMYVTXUOSWIGD-UHFFFAOYSA-N 363.523 4.066 0 40 FIAB O=S(=O)(Nc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 8132332 RVVYQPLURRLHLR-UHFFFAOYSA-N 367.455 4.159 0 40 FIAB COc1ccccc1N1C(=O)S[C@H](Cc2ccc(SC)cc2)C1=O 8169267 YKOXKZLNAQTKHG-MRXNPFEDSA-N 359.472 4.228 0 40 FIAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 8332457 HHJFLGREFRZPSK-VZCXRCSSSA-N 372.877 4.465 0 40 FIAB CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1OC 8776804 MNNLTQUJZLCWBE-AWEZNQCLSA-N 367.474 4.337 0 40 FIAB C[C@H](CNC(=O)Nc1ccc(F)cc1)c1nc2ccccc2n1C(F)F 8778879 WJHOJKIAAVDMFB-LLVKDONJSA-N 362.355 4.496 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9038851 PALLGCRUWPOIEL-INIZCTEOSA-N 365.477 4.159 0 40 FIAB COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1OC 9052939 JQZQWFBFEKYYMW-UHFFFAOYSA-N 363.841 4.463 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(NC(C)(C)C)s1 9446366 XJXQCUFOQCKGAG-LLVKDONJSA-N 350.513 4.176 0 40 FIAB CCc1ccccc1NC(=O)c1cc2c(cc1Br)OCCO2 9668235 MPCZGEPERRSURX-UHFFFAOYSA-N 362.223 4.035 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)s1 10517988 MDKWQDYGZKKKRD-SECBINFHSA-N 355.868 4.307 0 40 FIAB COC(=O)C1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 10541839 CBWKOVQDBFKCML-UHFFFAOYSA-N 369.486 4.004 0 40 FIAB CN(C)c1ccc(CCCNC(=O)c2ccccc2C(F)(F)F)cc1 11693648 FUTWZQMFJRWYCQ-UHFFFAOYSA-N 350.384 4.134 0 40 FIAB COc1cc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC(C)C 12366544 WFSJJVRSVHNOOD-PKOBYXMFSA-N 358.482 4.280 0 40 FIAB CC(C)c1ccccc1OCC(=O)N[C@H](Cc1ncc[nH]1)c1ccccc1 12531936 QVOYUTUNDDQRFQ-LJQANCHMSA-N 363.461 4.012 0 40 FIAB CC(=O)N1CCc2cc(Nc3nc(C(F)(F)F)nc4ccccc34)ccc21 12777600 OLJILQAQZBPGLY-UHFFFAOYSA-N 372.350 4.301 0 40 FIAB O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(C(=O)NC2CC2)cc1 12811241 XWMJMFUAEBQECE-ZHACJKMWSA-N 358.800 4.023 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(C)cc2F)cc1Br 12825049 DMHRXTLWUUUJKI-UHFFFAOYSA-N 366.230 4.477 0 40 FIAB COCCN(Cc1cccs1)C(=O)Cc1coc2cc3c(cc12)CCC3 12873928 IQBAAMZJKUWUCM-UHFFFAOYSA-N 369.486 4.201 0 40 FIAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1cccc(Cl)c1Cl 13040449 ZVBLFRBQQFAWAW-NSHDSACASA-N 362.260 4.423 0 40 FIAB Cc1cnc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)s1 13624479 SMOZQVIOTYXOIH-UHFFFAOYSA-N 368.414 4.102 0 40 FIAB Cc1nc(SCC(=O)N2CCCc3ccccc32)[nH]c1-c1ccccc1 13843036 SGDJTVGFQMOYHJ-UHFFFAOYSA-N 363.486 4.457 0 40 FIAB Cc1ccc(NC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c(Cl)c1 14075942 PJTCICFGXHMQHW-OAHLLOKOSA-N 366.248 4.040 0 40 FIAB Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N(C)C)o1 15860151 XZBCBXQUKUPNIA-HXUWFJFHSA-N 362.473 4.139 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@@H](C)C(C)C)cc12 17054494 FZVFITMMPZMGQB-LBPRGKRZSA-N 359.470 4.368 0 40 FIAB CCOCCCNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 17400921 RLTGDJPLWQDZEF-UHFFFAOYSA-N 369.490 4.012 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccc(F)cc2)cs1 17524513 HZYSPTXZLXMWQU-UHFFFAOYSA-N 367.449 4.259 0 40 FIAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(F)cc1 17916088 DTXYMRYBDCJQPW-NWDGAFQWSA-N 366.230 4.233 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2c(C)nc3c(C)cccn23)cc1OC 19658980 FAVGLHLLQACRIO-SFHVURJKSA-N 365.477 4.305 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc4c(c3)ncn4C3CC3)cc2nc1C 19663243 OODAHZKMLIFOQL-UHFFFAOYSA-N 357.417 4.184 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Cc3nc4cc(C)ccc4[nH]3)cc2)cn1 19719156 NYLPYIBSWFTQOI-UHFFFAOYSA-N 372.428 4.118 0 40 FIAB C[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1cccc(Br)c1 20029704 ILBMDSLNEGMMME-MRVPVSSYSA-N 358.157 4.357 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20144080 ONZHBDGSKYLDAZ-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB CCCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(OCC(=O)O)c1 20158157 JPBRSFLNDVIADB-UHFFFAOYSA-N 370.430 4.165 0 40 FIAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccccc1 20492079 YVOGPWKKUIAUKD-NRFANRHFSA-N 369.461 4.343 0 40 FIAB CCOC(=O)c1c(C)nc(Nc2nc(-c3ccccc3)cs2)nc1C 20799712 NIYRNXPSOQJRHW-UHFFFAOYSA-N 354.435 4.137 0 40 FIAB CC(=O)c1ccc(SCC(=O)Nc2cnc3ccccc3c2)c(F)c1 21137156 DRRJAFSMWHCLJK-UHFFFAOYSA-N 354.406 4.307 0 40 FIAB CCCc1nc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2s1 22254897 YKCWBIYFEJZLPT-UHFFFAOYSA-N 354.431 4.272 0 40 FIAB COc1ccc(SCC(=O)Nc2cccc(OC(C)C)c2)cc1OC 22525505 BIBAMHPEEIOERG-UHFFFAOYSA-N 361.463 4.222 0 40 FIAB O=C(NOCc1ccccc1)c1ccc(-c2ccc3c(c2)OCCO3)s1 25036945 DTQJHAGOLMFMGY-UHFFFAOYSA-N 367.426 4.048 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cnn(Cc2cccc(C)c2)c1 28574426 PPRWOQBQQOHKAU-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1cc(C2CC2)[nH]n1 29914039 NWKPTCFDLMCUSU-IBGZPJMESA-N 351.837 4.460 0 40 FIAB CN(C)[C@H](CNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1Cl 32755176 DNNZLQUKLXGWOE-YLJYHZDGSA-N 356.897 4.179 0 40 FIAB COc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 35310805 XQBGYRXWGCVURQ-CQSZACIVSA-N 366.490 4.148 0 40 FIAB O=C(Nc1ccccc1CN1CCCC1)c1ccccc1Br 40090877 LHTHTWNYHHFPBE-UHFFFAOYSA-N 359.267 4.297 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@H](C)Sc2nncs2)c2ccccc2)cc1 55006615 MGYZZIMNRUHYOJ-YOEHRIQHSA-N 369.515 4.233 0 40 FIAB CC(=O)c1cccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1 56540567 SGJAZYOIEIIWAG-UHFFFAOYSA-N 364.445 4.324 0 40 FIAB Clc1ccccc1N1CCN(Cc2cc(-c3ccccc3)no2)CC1 57373540 ULULPPJTHAZSIA-UHFFFAOYSA-N 353.853 4.317 0 40 FIAB Cc1cc(Br)ccc1N(C)C(=O)COc1ccc(Cl)cc1 58033629 WCRDKQVZDRTIDO-UHFFFAOYSA-N 368.658 4.453 0 40 FIAB CC[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(OC)cc1 58118046 RMRWGFMHIPJBOU-OAHLLOKOSA-N 371.462 4.007 0 40 FIAB CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)c(C)c1 58201731 NUDUXOQTGULKGT-KGLIPLIRSA-N 357.541 4.036 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 61997310 KLVVKHWAJQXVHJ-GOSISDBHSA-N 356.853 4.146 0 40 FIAB CCOc1ccccc1NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63890213 BBFFLOXSQYFYPJ-UHFFFAOYSA-N 366.417 4.320 0 40 FIAB CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-c2cccs2)[nH]c1=O 63927674 DQXNUWFWTRDBOK-UHFFFAOYSA-N 374.412 4.044 0 40 FIAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H]1CN1CCCC1 66945369 NRSNCPLMVSMSCR-HNNXBMFYSA-N 358.869 4.300 0 40 FIAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)NCc1ccccc1 71328124 SXEBKUUZUPHGCR-UHFFFAOYSA-N 374.469 4.033 0 40 FIAB O=S(=O)(c1ccc(F)cc1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 78572222 ASJBFTNYAKONHH-LJQANCHMSA-N 358.438 4.223 0 40 FIAB CCc1cccc(CC)c1NC(=S)N1CCC[C@@H](c2nc(C)no2)C1 83827683 GYIHWTFBCMIIKE-MRXNPFEDSA-N 358.511 4.079 0 40 FIAB COc1cc(OC)c(NCc2nc(-c3ccc(Cl)cc3)no2)cc1F 88534618 AATPVVLIALRGGJ-UHFFFAOYSA-N 363.776 4.158 0 40 FIAB c1ccc(CN2COc3ccc4c(c3C2)CN(Cc2ccccc2)CO4)cc1 90751662 SZQLABXYFDDCOE-UHFFFAOYSA-N 372.468 4.391 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 95395348 QWOFVBNVGJVANF-HNNXBMFYSA-N 354.454 4.143 0 40 FIAB CC1=NN(c2ccc(C(=O)Nc3cccc(OC(F)F)c3C)cc2)CC1 95396997 FBMISTBXOFIWRN-UHFFFAOYSA-N 359.376 4.435 0 40 FIAB CO[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)s1 96104733 RYPOZKQDLKQNQF-HNNXBMFYSA-N 367.898 4.371 0 40 FIAB Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4sccc4C)C3)C2)o1 96215926 RJDOQJFUXJEGNM-FQEVSTJZSA-N 358.507 4.086 0 40 FIAB Cc1cc(C)cc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c1 98212923 DVALNOKMMZANBL-UHFFFAOYSA-N 374.488 4.092 0 40 FIAB CCc1ccc(Cn2c(=S)[nH]c3c(sc4ncccc43)c2=O)cc1 101275619 NKBPUTNYSODFSN-UHFFFAOYSA-N 353.472 4.279 0 40 FIAB COc1cc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)ccc1NC(=O)OC(C)(C)C 103395989 DUJSZOPUILEHPC-YDHLFZDLSA-N 358.438 4.193 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(F)cc1 223787496 JVFOOCIWURIZDW-UHFFFAOYSA-N 361.482 4.378 0 40 FIAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(Cl)cc1 225467059 NPZNFICPYUDZQW-UHFFFAOYSA-N 360.910 4.375 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226041665 TZBVFPHHRVQJJM-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB COC(=O)c1cc(Br)ccc1OCc1ccccc1Cl 226319193 DNIOJJISIQXCIQ-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1ccc(Cl)s1 253406071 UDMYKQFDJUEOCJ-HNNXBMFYSA-N 369.920 4.190 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2ccc3cnccc3c2)CC1 257205060 AXLPPLPTRVAIGA-SFHVURJKSA-N 366.505 4.223 0 40 FIAB Cc1nc(C(=O)N2Cc3ccccc3[C@H](c3nccn3C(C)C)C2)cs1 306125936 DGIBPORVWBBRFV-QGZVFWFLSA-N 366.490 4.017 0 40 FIAB Cc1c(CCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccccc2[nH]1 390822422 WBFLKSFKXLTTNC-VWLOTQADSA-N 367.396 4.069 0 40 FIAB Fc1ccc(N=c2[nH]c(Nc3ccc(F)cc3F)ncc2F)c(F)c1 408544817 VKHBIXAOWXQPJC-UHFFFAOYSA-N 352.266 4.081 0 40 FIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Br)cc1C 408709897 ZCFMYROBIWATDE-CYBMUJFWSA-N 369.303 4.029 0 40 FIAB COc1c(Cl)cc(Cl)cc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409080344 NENHDUFRYQNRCH-ZSOIEALJSA-N 369.248 4.227 0 40 FIAB CC(C)(C)OC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@H]2[C@]1(O)C(F)(F)F 409098272 KVLZVMXVRGYYFW-USBNGQNGSA-N 364.408 4.306 0 40 FIAB Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1CCN([C@H]2CCOC2)CC1 624015224 SJHCHQGDEQWRGE-OXJNMPFZSA-N 373.928 4.042 0 40 FIAB O=C1N[C@@H](c2ccccc2F)C(=O)N1c1cccc(-c2cccs2)c1 683610581 WWWFFNICDJMXMF-KRWDZBQOSA-N 352.390 4.352 0 40 FIAB Cc1ccsc1CCC(=O)N1CCC(c2ccc3cccnc3n2)CC1 1888897860 QUPODOLKRBTZPX-UHFFFAOYSA-N 365.502 4.339 0 40 FIAB CCCc1ccc(OCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 851375 RBDNPIIPAXCLPQ-UHFFFAOYSA-N 363.841 4.327 0 40 FIAB COc1ccc2nc(C)cc(SCC(=O)Nc3ccccc3OC)c2c1 915664 CDOSNWUHHXTMLP-UHFFFAOYSA-N 368.458 4.291 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)c(OC)c1 929431 FONSMJOUIMEXFL-UHFFFAOYSA-N 370.430 4.037 0 40 FIAB Cc1nc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)sc1C 1332656 YQTYFOVHPRYUCD-UHFFFAOYSA-N 370.503 4.311 0 40 FIAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)CC(C)C)n3)ccc21 1365709 IISVDAMUWZPZID-UHFFFAOYSA-N 371.506 4.484 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 1377724 XPTPURYEAYOIHR-RTBURBONSA-N 369.534 4.460 0 40 FIAB Cc1c(Nc2nc(-c3ccccc3)cs2)c(=O)n(-c2ccccc2)n1C 1463616 WFCJBRPHZOOQGI-UHFFFAOYSA-N 362.458 4.352 0 40 FIAB COc1ccc(CN(C)C(=O)COc2ccccc2-c2ccccc2)cc1 2619456 ZSSBTSVWCWSLQS-UHFFFAOYSA-N 361.441 4.400 0 40 FIAB O=C1CSC2=NC(c3ccc(OC(F)F)cc3)=C[C@@H](c3ccccc3)N12 3192727 ZMLKSIZDOQEJHC-INIZCTEOSA-N 372.396 4.315 0 40 FIAB O=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1cccc(Cl)c1 3229995 RJNJODRAWQARHU-UHFFFAOYSA-N 354.818 4.061 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)c1c(F)cccc1Cl 3234525 ATRSMGOWCHHBQG-UHFFFAOYSA-N 363.816 4.399 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1C)c1ccccc1 3556794 PVHXFISNKOFGQR-OAHLLOKOSA-N 366.490 4.016 0 40 FIAB COc1ccc(C(=O)CSc2nc(-c3ccccc3C)ns2)cc1 4167502 LJFKMCLVQQRHSW-UHFFFAOYSA-N 356.472 4.497 0 40 FIAB O=C(OCc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1 4328947 YIUAIYGINOEOQM-UHFFFAOYSA-N 352.817 4.319 0 40 FIAB Cc1ccccc1-n1ncc2c1ncn1c(-c3cccc(Cl)c3)nnc21 5267076 DWZFJPJPTHWNKD-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)c(C)c1 5570757 UCDGTAFSMQBQAV-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB COc1ccc(C[C@@H]2SC(Nc3ccc(C(C)C)cc3)=NC2=O)cc1 5807926 YTMCNMNODNXHII-SFHVURJKSA-N 354.475 4.471 0 40 FIAB C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)C12CC3CC(CC(C3)C1)C2 6053984 HWBTWTKBNMJLGC-LDWCXNJISA-N 373.444 4.100 0 40 FIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 6965716 YXLYFRWTGOJDFH-CSODHUTKSA-N 360.413 4.422 0 40 FIAB CCSc1nnc(NC(=O)c2sc(-c3ccccc3)nc2C)s1 7996167 FPOOZFORZLUTCV-UHFFFAOYSA-N 362.505 4.334 0 40 FIAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1c[nH]c2ccccc12 8230658 JYEODADCKXRYQO-SNVBAGLBSA-N 354.460 4.378 0 40 FIAB CC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N1CCc2ccccc21 8404878 BPDAKYOKIMTTOV-UHFFFAOYSA-N 364.228 4.164 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(C)c1 8683909 BUOCHIBEJUTSRW-UHFFFAOYSA-N 353.447 4.462 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1ncn(-c2ccc(Cl)cc2)n1 8715365 WJGWEZXTDCCTJF-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CCOc1ccc(NC(=O)c2nc(SC(C)C)ncc2Cl)cc1 8916193 GHCQGSSRHOJKMS-UHFFFAOYSA-N 351.859 4.282 0 40 FIAB Clc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)[nH]1 9198391 PHKIQVSHWWSLCF-UHFFFAOYSA-N 369.837 4.467 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1 10111060 IEFYAKXCGWKUCW-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB CCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280071 DWABIZDXOXSCSG-UHFFFAOYSA-N 366.461 4.400 0 40 FIAB C[C@H]1SC(=N)N(c2ncc(Cc3ccc(Cl)cc3Cl)s2)C1=O 11689754 CPNIXUAETWIPBI-SSDOTTSWSA-N 372.302 4.444 0 40 FIAB Cc1cc(-c2snnc2C2CCN(C[C@@H](C)c3ccccc3)CC2)on1 12223970 RYTDIAUTYAMEDD-CQSZACIVSA-N 368.506 4.485 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3sccc3-n3cccc3)cnc21 12816012 LRCZZXYWWPXICY-UHFFFAOYSA-N 351.435 4.117 0 40 FIAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)Cc3ccccc3C)c2C)no1 12927198 FSKYIYXDHOSFHY-ZHACJKMWSA-N 363.461 4.371 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(SC(F)F)cc2)c(OC)c1 14163042 LAUULGBMSLERNL-UHFFFAOYSA-N 367.417 4.291 0 40 FIAB O=C(CSc1ccccc1Br)c1ccc2c(c1)OCCO2 16360467 ZALLKEGZFCQVSP-UHFFFAOYSA-N 365.248 4.195 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2cc3ncccc3[nH]2)C1 19559006 LTCSZLMEYDBYJW-ZDUSSCGKSA-N 369.852 4.245 0 40 FIAB CCCc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)sc1C 23877714 UHXDVCXTUHPCAV-AWEZNQCLSA-N 371.502 4.139 0 40 FIAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)c(F)c1 31967400 GTELNJYOOCAYOK-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB Cc1ccc(-c2nc(CSCc3nnnn3-c3ccccc3)co2)cc1 32772143 KNZOPVJNDQBCFI-UHFFFAOYSA-N 363.446 4.059 0 40 FIAB O=C(Cn1c2c(c3ccccc31)CCC2)N1CCCC[C@@H]1c1cccnc1 36708618 QGLNILWYVUKLLB-HXUWFJFHSA-N 359.473 4.279 0 40 FIAB O=C(Nc1c(F)cccc1F)C1CCN(Cc2cccc(Cl)c2)CC1 39772767 IJARFIJNNUGROD-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c(C)s1 40074217 VTFQPNOJJMXVCA-MLGOLLRUSA-N 364.536 4.058 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)Nc1cc(Cl)cc(Cl)c1 43176821 WAKDBUSRPNPOAU-AWEZNQCLSA-N 361.175 4.127 0 40 FIAB CCCOc1ccc(/C=C/C(=O)NC2(c3noc(C)n3)CCCCC2)cc1 44404371 GPSVFSAXKSFXGZ-FMIVXFBMSA-N 369.465 4.156 0 40 FIAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCCC(C)C)ccc32)cc1 46078609 PGSGAKYQOPYFNW-UHFFFAOYSA-N 364.489 4.364 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Oc1cccnc1 48333500 MLZIJENNUNUCJT-UHFFFAOYSA-N 362.216 4.161 0 40 FIAB CC(C)(C)C[C@H](NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccc(F)cc1 48345866 MYCXOFWHVHTSCL-IBGZPJMESA-N 374.500 4.068 0 40 FIAB O=C(NCCc1ccc(O)cc1)c1ccc(SCc2cccnc2)cc1 54116644 AWOXGMHRLVMECX-UHFFFAOYSA-N 364.470 4.052 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)C)c3)n[nH]2)c(OC)c1 57412843 LKPYSNLLNWBLAM-UHFFFAOYSA-N 365.433 4.470 0 40 FIAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(N(C)C)cc3)cs2)cc1 58173995 HEYYSSCJLGJOBQ-UHFFFAOYSA-N 365.502 4.157 0 40 FIAB Cn1c(=O)oc2cc(-c3csc(Nc4ccc(Cl)nc4)n3)ccc21 65567904 ALGBQSLEUJZMFJ-UHFFFAOYSA-N 358.810 4.047 0 40 FIAB CCCCc1noc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2ccccc2)n1 70038884 YCNPNNCYPGNXTO-PMACEKPBSA-N 368.525 4.041 0 40 FIAB C[C@H](Cc1ccc2c(c1)OCO2)c1nc2cnccn2c1NC1CCCC1 72342044 GALOKXUERUKTRR-CQSZACIVSA-N 364.449 4.159 0 40 FIAB O=c1c2snc(-c3ccc(Cl)cc3)c2ncn1-c1ccc(F)cc1 72347173 ONTKXUWZOAFGIC-UHFFFAOYSA-N 357.797 4.302 0 40 FIAB c1cc2c(cc1[C@H](NCc1cnc([C@@H]3CCCO3)s1)C1CC1)OCCO2 89800378 QNYAUIHIQVATKF-PKOBYXMFSA-N 372.490 4.007 0 40 FIAB COc1ccc(C(=O)Nc2cccc3c2CN(c2nccs2)C3)c(F)c1 95444061 YKRODYGLNJTBHV-UHFFFAOYSA-N 369.421 4.063 0 40 FIAB CCOC(=O)CC[C@@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 95974303 SNDRKPXXNGPOPX-ZDUSSCGKSA-N 357.903 4.059 0 40 FIAB CC(C)(C)NC(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 96266710 ZTNLRFJZMRQDCF-UHFFFAOYSA-N 350.466 4.446 0 40 FIAB C/C(=C\C(=O)NCc1ccc(N2CCC(C)CC2)nc1)c1ccccc1F 98055229 CRYMFHSQJLCDGJ-GHRIWEEISA-N 367.468 4.177 0 40 FIAB COc1ccc(/C=C/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 100316417 HSOSVSZDIDTWRQ-NBGHIYOXSA-N 354.793 4.002 0 40 FIAB ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](C[C@H]4O[C@H]34)[C@@]1(Cl)C2(Cl)Cl 100353273 VMNNMBZKONGDDQ-BMNWGQGISA-N 354.875 4.235 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CC(=O)NC5=NCCS5)(C4)C2)C3)cc1 100864047 YEWJWJQVKNAHTJ-UOBYYGQQSA-N 368.546 4.442 0 40 FIAB C[C@]12CC3CC(C(=O)N4CCN(Cc5ccccc5)CC4)(C1)C[C@](C)(C3)C2 101024200 VGQXJASAXVAFKB-LQBIAYRMSA-N 366.549 4.327 0 40 FIAB O=C(NC1CCN(C2CC2)CC1)c1cc(-c2ccccc2)ccc1Cl 110614086 ZNRQGCRIMNNTGQ-UHFFFAOYSA-N 354.881 4.364 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 219298527 LPABHJFYINSICD-QZTJIDSGSA-N 355.478 4.469 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccccc2OC)cc1 219499921 WCIARJPEFXCBCG-QFBILLFUSA-N 371.477 4.375 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCCSCc1ccccc1F 222834585 QCYRHZDWUOETIY-UHFFFAOYSA-N 369.461 4.407 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1C 223559939 CNXMHPSSTMVCIE-HNNXBMFYSA-N 353.871 4.087 0 40 FIAB O=C(Cc1cccc(Cl)c1)NCc1ccc(CN2CCCCC2)cc1 224536471 GSMWGSAKZWBPAR-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB COc1ccc(CCCNC(=S)Nc2cccc(OC(C)C)c2)cc1 225557518 LVIFRAAQOWCUQQ-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)OCCO2 225700418 HORSMZDNXBJGFP-IBGZPJMESA-N 367.445 4.133 0 40 FIAB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 225736719 VCYVZZKSXAITJA-ZDUSSCGKSA-N 359.461 4.114 0 40 FIAB COc1ccccc1-c1noc(C)c1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 252013828 UMHHMTLZIXLVEC-DYWXZXKOSA-N 354.450 4.213 0 40 FIAB C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253623279 OAZITJUUAWYFTF-RYTRFYDISA-N 360.494 4.066 0 40 FIAB O=C(c1ccccc1)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 257295538 QYTDFOZOLKBJDP-OAQYLSRUSA-N 362.404 4.101 0 40 FIAB COCCn1c(Cc2ccccc2)nnc1SCc1ccc(C)cc1 409095179 HHVOYDLBUNGPEL-UHFFFAOYSA-N 353.491 4.116 0 40 FIAB Cc1nc(CC(=O)Nc2ccccc2-c2ncc3n2CCCC3)c(C)s1 568081453 KGEWTLQZOJZWNK-UHFFFAOYSA-N 366.490 4.141 0 40 FIAB O=C1CC[C@@]2(CCCN(Cc3ccncc3)CC2)N1CC1CCCCC1 585100864 ZLIZZQZOROVUHP-JOCHJYFZSA-N 355.526 4.009 0 40 FIAB N[C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(-c4ccccc4F)s3)C2)C1 650706805 SOWKFFSQKQLNQZ-RZQQEMMASA-N 374.525 4.273 0 40 FIAB CN(CCOC[C@@H]1CO1)C(c1ccccc1)(c1ccccc1)c1ccccc1 669368906 PVIOSHAXSOMCLM-XMMPIXPASA-N 373.496 4.326 0 40 FIAB CC(C)(C)CC(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775968107 PRGGLUVYMYGKSU-UHFFFAOYSA-N 358.404 4.154 0 40 FIAB CC(C)c1ccc(NC(=O)C(=O)NCc2cc(-c3ccoc3)cs2)cc1 1775969665 FJWMOZZAUDVOJM-UHFFFAOYSA-N 368.458 4.386 0 40 FIAB O=C(CSCc1ccccc1)NC[C@H](O)c1ccc(-c2cccs2)o1 1888979426 IWJOOXVWRYGJAS-HNNXBMFYSA-N 373.499 4.091 0 40 FIAB Cc1cc(=O)oc2cc(OC(=O)c3ccccc3Br)ccc12 846556 MHKCRSAKRRJJFP-UHFFFAOYSA-N 359.175 4.083 0 40 FIAB biogenic O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccccc1Cl 849058 TULCJACHERWGRK-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)c(OC)c1 936276 UXKXJQMZPRKFLL-ONNFQVAWSA-N 362.223 4.118 0 40 FIAB COC(=O)C1=C(Nc2ccccc2)S/C(=C/c2ccccc2Cl)C1=O 1162476 VCMFBWQHBSGNNT-RVDMUPIBSA-N 371.845 4.494 0 40 FIAB CCc1cc(I)ccc1NC(=O)c1ccccc1 1262427 PCLNFSMFVDDFSB-UHFFFAOYSA-N 351.187 4.106 0 40 FIAB COC(OC)[C@@]1(C)Nc2ccccc2C(=O)N1c1ccccc1C(C)C 1422676 CRLPSXKNCBPZOS-NRFANRHFSA-N 354.450 4.217 0 40 FIAB CCCc1cc(=O)oc2c(C)c(OC(=O)c3cccc(OC)c3)ccc12 2145939 XUJHEGOVSIXOFQ-UHFFFAOYSA-N 352.386 4.282 0 40 FIAB biogenic Cc1cc(I)ccc1NC(=O)/C=C/c1cccs1 3273423 GQJIYDDKAGZOLQ-FNORWQNLSA-N 369.227 4.313 0 40 FIAB CCOc1ccc2oc(C(=O)Nc3cccc(C(=O)OC)c3)c(C)c2c1 3331087 PXYNQDKHSFKHGU-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB O=C(CCSc1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1 4303402 QSEHKGBRXHKXDZ-UHFFFAOYSA-N 359.451 4.465 0 40 FIAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OCC(=O)OC(C)(C)C)cc12 4340688 QWQMQJUEVVJHRO-UHFFFAOYSA-N 366.413 4.489 0 40 FIAB biogenic Cc1ccc(-c2nnc(NC(=O)c3nc4ccccc4s3)o2)c(C)c1 4479449 LXLXQJQVPCNMJK-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1F 4703961 GIRQWICJPSZHEI-UHFFFAOYSA-N 373.236 4.268 0 40 FIAB CC(=O)OC(Cc1nc2ccccc2s1)(C(F)(F)F)C(F)(F)F 5022243 RNEXSZDWTVBFCU-UHFFFAOYSA-N 357.275 4.265 0 40 FIAB Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c1 5652617 HIJNBOXTIYQBKR-UHFFFAOYSA-N 351.642 4.151 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(Br)cc1F 6377187 BQIXRFDPBLMUJB-UHFFFAOYSA-N 364.214 4.094 0 40 FIAB O=C(C[C@@H]1Sc2ccccc2NC1=O)c1ccc(Br)cc1 6890505 NCTOKRGIQIDKEM-HNNXBMFYSA-N 362.248 4.135 0 40 FIAB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1 6946052 KXQIKELYNYRFSF-GXDHUFHOSA-N 356.809 4.293 0 40 FIAB C[C@H](Sc1nncs1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 7195068 KHYRYFCECOGJOJ-YUMQZZPRSA-N 362.307 4.203 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 7265111 JTNNRAHGBHIMDS-UHFFFAOYSA-N 352.434 4.466 0 40 FIAB C[C@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(-n2ccnc2)cc1 7276913 TUCVRUUCOISRIH-KRWDZBQOSA-N 371.440 4.282 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 7696852 HXQPTCGSHQIQEB-UHFFFAOYSA-N 373.378 4.440 0 40 FIAB Cc1ccc(-c2cc(NC(=O)CN3CCC[C@@H]3c3cccs3)on2)cc1 7983667 KXJLKEXJVFCHQF-QGZVFWFLSA-N 367.474 4.487 0 40 FIAB C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 7990661 IUAMHEXUQIXPPM-LLVKDONJSA-N 360.335 4.038 0 40 FIAB CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(C)c1-c1ccc(OC)cc1 8080323 CHFBXRNRIGBBLJ-XDOYNYLZSA-N 370.449 4.205 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccc(C)c(C)c2)cc1 8412709 LSNBAROIMPYOAQ-UHFFFAOYSA-N 368.502 4.494 0 40 FIAB CCCc1cc(=O)[nH]c(SCc2cc(Cl)ccc2OC(F)F)n1 8665930 ONHRFCYUQPVJBD-UHFFFAOYSA-N 360.813 4.270 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nc2ccccc2[nH]1 8764772 JYNUPVQOPSAPEU-HXUWFJFHSA-N 358.445 4.341 0 40 FIAB biogenic O=S(=O)(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cccs1 8777093 KXAYGOXDRJTFTH-HNNXBMFYSA-N 353.465 4.017 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc3ccc4ccccc4n23)cc1 8845912 LABUCPHSUDZGSI-AWEZNQCLSA-N 362.458 4.310 0 40 FIAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9280852 YWZACFYKWVCIQI-UHFFFAOYSA-N 354.837 4.232 0 40 FIAB O=C(Nc1ccccc1)Nc1nc(C(=O)Nc2ccc(F)cc2)cs1 9317266 UBSYATYDUDCSSL-UHFFFAOYSA-N 356.382 4.179 0 40 FIAB Cc1nc2cc(NC(=O)c3sc(NC(=O)C4CC4)cc3C)ccc2o1 9709856 ARWPTLQXKYTPDG-UHFFFAOYSA-N 355.419 4.107 0 40 FIAB CN(Cc1ccc(Br)s1)C(=O)CCC(=O)c1ccccc1 9742727 CWRHEIHUTLUNCE-UHFFFAOYSA-N 366.280 4.132 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccc(NC(=O)c2ccco2)cc1 10874109 JKQXNDOJBJXALN-UHFFFAOYSA-N 352.365 4.242 0 40 FIAB O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccc(F)c(F)c1 11620672 CXVBSOZTYNBSOE-UHFFFAOYSA-N 365.811 4.269 0 40 FIAB Cc1cccc(N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c1C 12534463 KQBLQZRZIKVBKS-SFHVURJKSA-N 362.477 4.237 0 40 FIAB Cc1ccc(-c2nc(CN(Cc3cccs3)C[C@H]3CCCO3)no2)cc1 12777631 WFIJGRZHRSXESF-QGZVFWFLSA-N 369.490 4.288 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 12778765 DDQAODLITQYTBY-KRWDZBQOSA-N 352.478 4.172 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 12920168 YFQGOFCSDYLAOR-UHFFFAOYSA-N 363.498 4.437 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2)cc1 12979147 KNAUPZTYFHTKJH-OAHLLOKOSA-N 366.490 4.184 0 40 FIAB COc1ccc(NC(=O)CNc2cc(Cl)ccc2Cl)cc1OC 15086145 KWROCDLHYSUUGK-UHFFFAOYSA-N 355.221 4.061 0 40 FIAB C[C@H](Sc1nnnn1C1CCCCC1)c1nnc(-c2ccccc2)o1 16295493 QFIOLBZJJHKPJU-LBPRGKRZSA-N 356.455 4.082 0 40 FIAB COc1ccc(OCCCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 16301384 SILCSQHEZQGJBV-UHFFFAOYSA-N 367.367 4.189 0 40 FIAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(-c4ccccc4)nn3cc21 20632581 SFHPONZQNQLIDE-HNNXBMFYSA-N 374.831 4.357 0 40 FIAB CC(=O)NC(=S)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C 21596464 OVZRVSHFYJLBDB-UHFFFAOYSA-N 353.447 4.253 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 22516960 SKBYLQFESLHDED-IBGZPJMESA-N 372.440 4.008 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1CNC[C@@H](c1ccco1)N1CCCC1 22933797 NYNSTQNZNNDBCV-KRWDZBQOSA-N 364.921 4.021 0 40 FIAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1Cl 25561351 LFKQZIVSGJMYDW-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB Cc1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)cc1 27017850 IKDDKDWALWQJDB-LJQANCHMSA-N 350.443 4.107 0 40 FIAB CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2C(F)(F)F)c1 27266212 VJCLBYKCGYUBCI-UHFFFAOYSA-N 364.367 4.230 0 40 FIAB O=C(c1ccn(COc2c(Cl)cccc2Cl)n1)N1CCCCCC1 28234929 SDEIDZZSJRKWAR-UHFFFAOYSA-N 368.264 4.243 0 40 FIAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(-c4ccccc4)n[nH]3)c2)n1 28240259 CNPXCSIMARPUGK-UHFFFAOYSA-N 371.444 4.191 0 40 FIAB COc1ccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 28305100 WVOJTFBGAVYBEK-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB Cc1c(C(=O)Nc2nc3c(s2)CCCC3)[nH]c2c1C(=O)CC(C)(C)C2 30767170 GVUSBGWKATVTMS-UHFFFAOYSA-N 357.479 4.066 0 40 FIAB COC(=O)c1cccc(CSCc2nc(-c3ccccc3C)no2)c1 31423391 GPGWSZXICIYNLK-UHFFFAOYSA-N 354.431 4.265 0 40 FIAB O=C(Cc1cccc(F)c1)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967536 RACPIJIYZGDIFD-UHFFFAOYSA-N 363.314 4.211 0 40 FIAB O=C(Cn1ccc2ccc(F)cc21)NCCc1c[nH]c2ccc(Cl)cc12 32105526 LNWBLCQQMXEZNK-UHFFFAOYSA-N 369.827 4.274 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)NC(c1ccccc1)c1ccccc1 32450948 URWJNQLUNMGUBE-UHFFFAOYSA-N 373.452 4.296 0 40 FIAB Cc1ccnc2nc(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)nn12 32983177 MNFLRIFQOVLANG-UHFFFAOYSA-N 369.384 4.098 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3C)cc2C)CC1 33239047 NNQYFLSGUIQHQS-UHFFFAOYSA-N 351.494 4.006 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2cccs2)c1 40287132 OIQYEFIKWGAVJK-GFCCVEGCSA-N 355.419 4.075 0 40 FIAB Fc1ccc(-c2noc(CCCc3nc(-c4ccc(F)cc4)no3)n2)cc1 41154624 LHALDWBABICERX-UHFFFAOYSA-N 368.343 4.240 0 40 FIAB C[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 45413523 ISIFZWCETWYMOH-LIRRHRJNSA-N 351.446 4.463 0 40 FIAB COc1ccc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1OC(F)F 46667453 DNCBEVIKHYNJQD-UHFFFAOYSA-N 373.359 4.109 0 40 FIAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 48374732 OOQCHNFDWYBCQO-SNVBAGLBSA-N 367.232 4.358 0 40 FIAB CCOc1ccc(-c2nc(N)cc(Nc3ccccc3OCC)n2)cc1 49468106 GLAAGXJNYRLEQT-UHFFFAOYSA-N 350.422 4.267 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)n[nH]2)c(OC)c1 57413057 ORJIUEMRBIJZSB-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC1CCN(Cc2ccccc2F)CC1 58134425 BODUZZPXZWVQJJ-UHFFFAOYSA-N 374.887 4.193 0 40 FIAB COc1ccc(C2(c3nnc(-c4ccccc4C)o3)CCOCC2)cc1 71889738 WAUPEXGRFYPSML-UHFFFAOYSA-N 350.418 4.150 0 40 FIAB O=C(c1cc(F)ccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 72331382 UXRRBFULNJMBIJ-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB NC(=O)c1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccc4)C3)n2)c1 72348544 OYXNXWLHJOSDOS-OAQYLSRUSA-N 371.484 4.227 0 40 FIAB COc1cccc2cc(C(=O)N3CCC(c4ccc(O)cc4)CC3)oc12 73900118 ZROWUFWWHZEWOY-UHFFFAOYSA-N 351.402 4.167 0 40 FIAB CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)cc1 75512574 LSBIJRUQSXVFPZ-FQEVSTJZSA-N 353.462 4.011 0 40 FIAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 79069406 DROXZUWREZZQSB-MRXNPFEDSA-N 369.465 4.114 0 40 FIAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@@H](c2ccccc2)C1 84525519 YYFYMSZPVVTMOB-NQIIRXRSSA-N 366.461 4.266 0 40 FIAB CO[C@H](CNC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C)c1ccccc1 84718138 TXYXTWGHOZQXMX-FOIQADDNSA-N 363.461 4.184 0 40 FIAB O=C(/C=C/c1ccsc1)NCc1ccc([C@H](O)c2cccs2)s1 85562208 KKNVARLJOCAEAD-ZNNBYXKUSA-N 361.513 4.282 0 40 FIAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Br)c(F)c1 95067926 SMIAIMLUODNVGF-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB CC(C)(C)Sc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 95468903 ASZODZVVDDLMBU-HNNXBMFYSA-N 359.499 4.454 0 40 FIAB COc1ccc(F)cc1C(=O)Nc1ccc(NCc2ccccn2)cc1 95959010 QSXVJFAFTAXMMS-UHFFFAOYSA-N 351.381 4.094 0 40 FIAB Cc1cc(S(=O)(=O)NCc2ccccc2-c2ccsc2)ccc1F 96122956 PUOBNBDLGFVIIU-UHFFFAOYSA-N 361.463 4.341 0 40 FIAB Cc1ccnn1C[C@@H](C)c1cc(O)n2nc(-c3cccc(Cl)c3)cc2n1 100775465 HKRFCUXMYVLTJO-GFCCVEGCSA-N 367.840 4.064 0 40 FIAB CCN(C(=O)Nc1ccccc1OC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106924961 GCNFOUSLLJUFNE-IEBWSBKVSA-N 367.493 4.385 0 40 FIAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(Cl)c1Cl 108858527 NPHYUTHOZNFNDY-SRVKXCTJSA-N 356.249 4.301 0 40 FIAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1C 136530515 ZBRMPJJEHATJFC-BGYRXZFFSA-N 374.440 4.011 0 40 FIAB Fc1c(Br)ccc(C(F)(F)F)c1I 167703008 JMYJYKACMOEEMD-UHFFFAOYSA-N 368.893 4.212 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2ccccc2C(C)C)cc1 222811642 JMBMTVFLCUGXCY-UHFFFAOYSA-N 355.478 4.337 0 40 FIAB CCOc1ccc(S(=O)(=O)NCc2cccc3ccccc23)cc1C 222995682 VDJWPAXHSONXFB-UHFFFAOYSA-N 355.459 4.025 0 40 FIAB CCc1ccc([C@@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 223368279 GOQVQRFUPCAPCS-OAHLLOKOSA-N 373.518 4.176 0 40 FIAB S=C(NCCCOC1CCCC1)Nc1ccc(Br)cc1 225619093 ZZGHFEYOOLIXCR-UHFFFAOYSA-N 357.317 4.085 0 40 FIAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCCCC2)cc1)C1CC1 225723731 JQDGUIXZZFHVJS-JOCHJYFZSA-N 374.525 4.085 0 40 FIAB COC(=O)c1cccc(NC(=S)NC2(c3ccco3)CCCC2)c1C 225859090 MXJQYRSDJISLOK-UHFFFAOYSA-N 358.463 4.131 0 40 FIAB CCOc1ccc(C2(NC(=S)Nc3ncccc3OC)CCCC2)cc1 225875323 DYCAEAPGOCQBMS-UHFFFAOYSA-N 371.506 4.245 0 40 FIAB Cc1ccc(N)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 255190720 YZCFAXUTSWEZCY-UHFFFAOYSA-N 354.431 4.170 0 40 FIAB CCCC(=O)NC[C@H]1CC[C@H](c2nc(C)ncc2-c2ccncc2)CC1 257226642 FLNLIIQDRLHARF-SAABIXHNSA-N 352.482 4.037 0 40 FIAB CCCn1c(Cc2ccccc2)nnc1SCCOc1ccccc1 409094480 FEMPGTLTOBSJCJ-UHFFFAOYSA-N 353.491 4.450 0 40 FIAB O=C(NC[C@H](c1ccsc1)n1cccn1)c1cc2ccccc2s1 575614492 UUFPRBBKUGLRAZ-OAHLLOKOSA-N 353.472 4.179 0 40 FIAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)n1 585182533 GCBJPMYMECXTLG-KRWDZBQOSA-N 372.476 4.036 0 40 FIAB C[C@@H]1CN(C(=O)c2cccnc2C(F)(F)F)CCc2ccc(F)cc21 650906096 AQXPJQTYMNLMLS-LLVKDONJSA-N 352.331 4.042 0 40 FIAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCC3)cc1 716649 NYZZDFRTJCFCCK-UHFFFAOYSA-N 368.502 4.424 0 40 FIAB Cc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 841754 CFRFKYCUWGHREK-RGEXLXHISA-N 362.454 4.466 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c1C 848229 PHWFRYQVPKTYMS-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB O=C(COc1ccccc1Cl)Nc1ncc(Cc2ccccc2)s1 848398 GHMVPSMRPALULF-UHFFFAOYSA-N 358.850 4.405 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1 858870 AOWNRWZXFQOWQL-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB Cc1cc(C)nc(SCc2nc3cccc(C)n3c2Br)n1 939018 DYDGXACYLKMVSP-UHFFFAOYSA-N 363.284 4.104 0 40 FIAB CCN(Cc1ccccc1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 2199173 SMKBKIOCCYAWAR-UHFFFAOYSA-N 369.852 4.371 0 40 FIAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccncc1 2250896 CAJVGEKDPVOQGR-UHFFFAOYSA-N 358.444 4.301 0 40 FIAB COc1ccc(-c2noc(COc3cc(C)cc(C)c3C)n2)cc1OC 2497422 BORPFHCLXMSJEK-UHFFFAOYSA-N 354.406 4.258 0 40 FIAB O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCCC1 2515568 KPQWNNZFDLFGCK-UHFFFAOYSA-N 362.242 4.415 0 40 FIAB O=C(Nc1cc(F)ccc1F)c1ccn(COc2ccccc2Cl)n1 2786662 VKHCYOIOOCEELZ-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@@H](C)[C@H](C)[C@@H]3O 3809864 YPUTYHJWWMYIGF-PZROIBLQSA-N 372.461 4.300 0 40 FIAB Cc1ccccc1-n1cnnc1SCc1cc(Cl)cc2c1OCOC2 4501104 JSCPNGQUVNNMDH-UHFFFAOYSA-N 373.865 4.388 0 40 FIAB O=C(CNCCc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 4896508 FJKPPGRKZYPYII-UHFFFAOYSA-N 371.912 4.101 0 40 FIAB COCCn1cc(NC(=O)NCc2ccc(Cl)cc2)c2ccccc21 5266407 TYPSKRUUCHATLS-UHFFFAOYSA-N 357.841 4.263 0 40 FIAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCCC3)s2)c(C)c1 5889194 GFQADQBVFDEQBB-CYBMUJFWSA-N 362.524 4.002 0 40 FIAB COc1ccc(OC)c(C(=O)Nc2nc(-c3ccccc3)c(C)s2)c1 6184922 OXFOKCICVODZHS-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 6327977 ZABIFMKJVZZYAQ-UHFFFAOYSA-N 360.822 4.379 0 40 FIAB COc1ccc(C(=O)OCc2ccccc2CN2CCCC[C@@H]2C)cc1 6494948 MJEUFNXDZGUHPY-KRWDZBQOSA-N 353.462 4.427 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCC(C(C)(C)C)CC1 6500335 XIIWTAZMWCFPEN-FHERZECASA-N 361.482 4.418 0 40 FIAB O=C(COc1nncc2ccccc12)Nc1ccccc1-c1ccccc1 6542252 QKDVGSKKCMXLRI-UHFFFAOYSA-N 355.397 4.314 0 40 FIAB c1ccc(Cn2c(SC[C@H]3CCCCO3)nnc2-c2ccco2)cc1 6606212 FBUZCGLBKKLGBI-MRXNPFEDSA-N 355.463 4.248 0 40 FIAB CCn1c(=O)n(CC)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21 6759562 CAJABPAGUHKWCO-UHFFFAOYSA-N 358.829 4.140 0 40 FIAB COc1ccc(NC(=O)COc2ccccc2Cl)cc1Br 6846871 LSYSIGBSWJLORM-UHFFFAOYSA-N 370.630 4.129 0 40 FIAB CC[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 6847765 KILYKFVYOLZGAD-KBXCAEBGSA-N 358.869 4.116 0 40 FIAB Cc1ccc(-c2noc(-c3nnn(-c4ccc(F)c(Cl)c4)c3C)n2)cc1 7006582 NOTDMLXCEVXXIH-UHFFFAOYSA-N 369.787 4.394 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)o1 7167994 IFFBUAMQIIFANX-GFCCVEGCSA-N 369.446 4.246 0 40 FIAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882014 UVEBCZPRQIJIHK-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1Cl 7882104 MDOWNJDNVLPJSH-HOCLYGCPSA-N 356.853 4.197 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)Nc3cccc(F)c3)ccc2c1 7926681 BBWWUCSZCJBRCP-UHFFFAOYSA-N 352.409 4.058 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8041577 WWJCUXICQMZKCM-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB CCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 8227153 ZCMMVOOCZLNBSA-UHFFFAOYSA-N 368.246 4.285 0 40 FIAB Cc1[nH]c(S[C@H](C)C(=O)NCc2ccccc2)nc1Cc1ccccc1 8719817 CBGBBIUDKBQPOE-MRXNPFEDSA-N 365.502 4.106 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)CCC3)c1 9313756 PJYCKDCFXQUQBR-UHFFFAOYSA-N 364.474 4.044 0 40 FIAB O=C(CCC(=O)c1cccs1)Nc1ccccc1OCC(F)(F)F 10115347 HMPWBBYOMLVAHP-UHFFFAOYSA-N 357.353 4.291 0 40 FIAB COc1cc(NC(=O)CN2CCC[C@@H]2c2ccccc2)c(OC)cc1Cl 10340821 UPKNMXMNOWZYCT-QGZVFWFLSA-N 374.868 4.133 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 10729967 BIPPEAZEEUOLGP-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB O=C(CCC(=O)c1cccs1)Nc1cccc(NC(=O)c2ccco2)c1 11177459 JSKUOSRAZOHVQI-UHFFFAOYSA-N 368.414 4.195 0 40 FIAB O=C1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188183 GUUKTXJDCKLVRA-YLJYHZDGSA-N 364.489 4.480 0 40 FIAB O=C(CCc1nc2ccccc2s1)Nc1ccccc1N1CCCC1 12641247 SMOFWQXMVOEQMY-UHFFFAOYSA-N 351.475 4.468 0 40 FIAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(Br)ccc1F 12740256 IQUMHMMWFYUSCT-WCBMZHEXSA-N 368.168 4.439 0 40 FIAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(F)cc1 13676148 VOFFOSYTCUEEKR-UHFFFAOYSA-N 353.368 4.474 0 40 FIAB COc1cc(NC(=O)c2cccc(F)c2)ccc1C(=O)Nc1cccs1 13946268 RNJXIKIOWKSMQJ-UHFFFAOYSA-N 370.405 4.400 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)Sc1ccc(C)cc1 14023432 HXIJIXYTFGPHFQ-CYBMUJFWSA-N 358.463 4.081 0 40 FIAB COc1ccc(-c2nc(C)c(C(=O)N[C@H](C)c3ccco3)s2)cc1OC 14093890 UOMUKEZQNQHKDD-LLVKDONJSA-N 372.446 4.220 0 40 FIAB Cc1nc2ccc(NC(=O)C3(CC(=O)NC(C)C)CCCC3)cc2s1 14187457 SNRSFOPYDFDKKG-UHFFFAOYSA-N 359.495 4.018 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1 14796234 HSWVOVVIGZWWCU-JXFKEZNVSA-N 368.477 4.319 0 40 FIAB CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690042 IVZDMQKTPQAUAG-PBHICJAKSA-N 370.522 4.189 0 40 FIAB N[C@H](CSC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O 16923381 COCBSHSLZGLMNC-HXUWFJFHSA-N 361.466 4.104 0 40 FIAB CC(C)(CO)NCC(C)(C)N[C@@H](Cc1ccccc1Cl)c1ccccc1 19367531 JHHSEALESJWYCK-FQEVSTJZSA-N 374.956 4.353 0 40 FIAB Cc1ncsc1-c1nnc([C@H]2CCCN2C(=O)CC2CCCCC2)o1 19562899 BLHMOQOEQNDLQK-CQSZACIVSA-N 360.483 4.135 0 40 FIAB Cc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 20045131 HHUHPHLEIQNHDL-UHFFFAOYSA-N 356.469 4.488 0 40 FIAB COc1ccc(-c2cc(C(=O)Oc3cccc(Br)c3)no2)cc1 20896727 DNUTUCJAIYVLSW-UHFFFAOYSA-N 374.190 4.332 0 40 FIAB COc1ccc(Cc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1OC 23624864 KGDCGPLZGGBKES-UHFFFAOYSA-N 368.458 4.312 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)nc1)c1sc2ccccc2c1Cl 25009821 KDVNERNZEDGTCD-UHFFFAOYSA-N 354.822 4.388 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@H]1CCCc2ccccc21 27447204 MYESKXYFIPFODG-SFHVURJKSA-N 371.864 4.238 0 40 FIAB Cc1cc(NC(=O)Cc2ccc(Br)cc2)n(C2CCCC2)n1 28305071 UHLHKSZIYYCMSS-UHFFFAOYSA-N 362.271 4.250 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc(C)c1Cl 32593352 ATGNSQRISUWBPG-AWEZNQCLSA-N 373.840 4.201 0 40 FIAB COc1ccccc1Nc1ncccc1C(=O)OCCOc1ccccc1 32666291 MCWJTZLTGRKWSA-UHFFFAOYSA-N 364.401 4.070 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)c1 32933206 BVPIVEXVKBIHST-KRWDZBQOSA-N 373.456 4.442 0 40 FIAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@@H]1c1ccsc1 40110461 NFKRCRBUQNCKON-QGZVFWFLSA-N 350.447 4.259 0 40 FIAB Cc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2F)s1 40140562 CLCNKKPRCCEOBY-UHFFFAOYSA-N 366.421 4.241 0 40 FIAB O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1ccc(Cl)nc1 40156287 RUIDLLISMJIEJC-UHFFFAOYSA-N 352.825 4.187 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H]1c1ccsc1 46913147 FIIMRDHLOGTDIA-WOJBJXKFSA-N 366.486 4.376 0 40 FIAB O=C(CCc1cccnc1)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 48369209 SQSATBBSQNNNOG-UHFFFAOYSA-N 363.392 4.044 0 40 FIAB FC(F)(F)c1ccc([C@H]2NCc3cc4c(cc3-n3cccc32)OCO4)cc1 55231398 VOWXBKZFZNUCMS-LJQANCHMSA-N 372.346 4.417 0 40 FIAB CCSCc1ccc(C(=O)Nc2[nH]nc(-c3ccncc3)c2C)cc1 58225901 XWQDJYVZIMWREO-UHFFFAOYSA-N 352.463 4.286 0 40 FIAB O=C(Cc1cccc2cccnc12)Nc1cccc(OCc2cccnc2)c1 58293803 XMVHLZYTUHDKFI-UHFFFAOYSA-N 369.424 4.390 0 40 FIAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NC1CCCCCCC1 58406605 KSZQVOMNPGWWFE-GFCCVEGCSA-N 371.308 4.341 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NCc1nc(C(C)(C)C)no1 69002922 KTSIDEGSCVYJDH-CQSZACIVSA-N 370.497 4.160 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635387 QBAARDMWPGVHCT-PMQIGOLDSA-N 361.363 4.319 0 40 FIAB Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72218770 NZNIIVQAXRBYAV-IBGZPJMESA-N 353.466 4.320 0 40 FIAB COc1ccc2ncc(S(=O)(=O)c3cc(F)cc(F)c3)c(Cl)c2c1 72329767 FRGGADIIQXWBTN-UHFFFAOYSA-N 369.776 4.008 0 40 FIAB Cc1cc(-c2cc(=O)n(Cc3cccc(F)c3)nc2-c2cccs2)on1 72337059 FFLCMYDPAZAMIZ-UHFFFAOYSA-N 367.405 4.123 0 40 FIAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)n2)c1 72349459 NJDYILFDHFATPU-FQEVSTJZSA-N 371.484 4.401 0 40 FIAB CCCN1CCCC[C@@H]1Cc1c(C(=O)NCCOC)sc2ccccc12 72370383 OUVKQPKMPCPJIJ-MRXNPFEDSA-N 374.550 4.085 0 40 FIAB Cc1ccccc1C(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 72390069 KMOVUMPGBWDRIZ-AWEZNQCLSA-N 353.447 4.126 0 40 FIAB Cc1cccc(NC(=O)CCNC(=O)Cc2coc3c(C)c(C)ccc23)c1 72427625 PKQBXTWHFYSSJC-UHFFFAOYSA-N 364.445 4.046 0 40 FIAB COc1ccc(-c2nsc(NC(=O)/C=C/c3ccc(F)cc3)n2)cc1 72427762 SQVVAOLJXKJBEN-NYYWCZLTSA-N 355.394 4.005 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 80330299 ZLVYCEWABNTTIP-FOIQADDNSA-N 374.481 4.025 0 40 FIAB Cc1ccc(-n2ncc(C(=O)OCC(F)(F)F)c2C2CC2)cc1Cl 84183132 OITWULDQMFUBMK-UHFFFAOYSA-N 358.747 4.431 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1cccc(-c2cnc3n2CCC3)c1 86071847 PAZOXQHVFGLMKF-UHFFFAOYSA-N 351.837 4.331 0 40 FIAB Cc1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1 89583137 RMPMKFCEOSREAL-IBGZPJMESA-N 353.491 4.090 0 40 FIAB CC[C@H](CC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)SC 89942961 OMIFZEPYHBKRKB-SECBINFHSA-N 350.267 4.007 0 40 FIAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1c(C)n[nH]c1C(F)F 95468041 WCWJCQDPMMZOSU-UHFFFAOYSA-N 371.453 4.371 0 40 FIAB Cc1cc(I)ccc1NC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 100226226 VMSFOQJSTHLYQG-UPJWGTAASA-N 369.246 4.364 0 40 FIAB CC(C)Oc1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc1 100816073 RIWQTUCDFPGCCF-ZZEZOPTASA-N 360.866 4.422 0 40 FIAB O=C(NCc1cc(O)n(-c2ccccc2)n1)c1ccc(-c2ccccc2)cc1 102710163 HGNJXENMXLDHSP-UHFFFAOYSA-N 369.424 4.175 0 40 FIAB C[C@](O)(CNC(=O)c1sccc1-c1ccccc1)c1ccc(F)cc1F 114553532 KMHABLCMWZDURX-FQEVSTJZSA-N 373.424 4.331 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)NCCc1cn(C)c3ccc(F)cc13)n2C 141574634 DBTGLPNBFLOYKT-UHFFFAOYSA-N 363.436 4.090 0 40 FIAB CCOc1cc(C)ccc1CNC(=O)NC1CCC(C(F)(F)F)CC1 156959607 XPCKNHOWGYHKBY-UHFFFAOYSA-N 358.404 4.314 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)c1 219302063 DRFDEDZXEXFGEB-PKOBYXMFSA-N 355.478 4.271 0 40 FIAB Cc1ccccc1CNC(=O)CCCN1C(=O)c2cccc3cccc1c23 219455892 DOIVOLUUQRMFEW-UHFFFAOYSA-N 358.441 4.205 0 40 FIAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222572288 RPXQTCDVLRFWPJ-MJXNMMHHSA-N 369.490 4.078 0 40 FIAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222730644 NZGDXHGHXPXPNX-QZTJIDSGSA-N 368.893 4.128 0 40 FIAB C[C@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 222950835 QLMAMKNOIUHAMY-AWEZNQCLSA-N 363.910 4.399 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC(C)C 222953755 KOYZSHYZFLPZLA-IBGZPJMESA-N 368.477 4.238 0 40 FIAB COc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1Cl 224699623 DEFDVGWHSFWIOF-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB CCOc1cc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)ccc1OC 225669003 OXACDRMUPFZWLH-UHFFFAOYSA-N 371.477 4.464 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3cccc(Cl)c3)n2)cc1 225815943 DMNCOIHETOWIJZ-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1Cl 244446997 YZNBCYLJZUYQIQ-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)c(O)c(C)c3)N21 260753145 BMPKATLNICCAHK-NXHRZFHOSA-N 353.491 4.383 0 40 FIAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1 409107545 WTIVCWDJBONDHN-UHFFFAOYSA-N 366.490 4.394 0 40 FIAB O=C(Nc1cccc2c1CCCC2)N[C@@H]1CCO[C@@H](c2ccncc2)C1 566544901 WIWORPZISCZIMJ-YLJYHZDGSA-N 351.450 4.002 0 40 FIAB O=C(O)c1oc2ccccc2c1CN1CCC(COc2ccccc2)CC1 570639166 VYPZAOVUNKNLEC-UHFFFAOYSA-N 365.429 4.422 0 40 FIAB O=C(NCc1nccnc1-c1ccsc1)NCc1cccc2ccccc12 575618075 DQFSGMITJPXDIH-UHFFFAOYSA-N 374.469 4.358 0 40 FIAB Cc1ccccc1C1(C(=O)N[C@H](CO)c2ccc(F)cc2)CCCCC1 622480555 RBTYTOWVXRLGPY-HXUWFJFHSA-N 355.453 4.186 0 40 FIAB CC(C)c1ccc(NC(=O)C(=O)NCc2cc(-c3ccco3)cs2)cc1 1775968614 HDSQBDJERGWTOW-UHFFFAOYSA-N 368.458 4.386 0 40 FIAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccccc1Cl 640995 QNIZFEHUXPHRSQ-SFHVURJKSA-N 370.836 4.448 0 40 FIAB O=C1C(Cl)=C(Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 944184 MXUNZHXMFQYDEU-UHFFFAOYSA-N 367.619 4.429 0 40 FIAB CC1(C)CC(Nc2ncnc3ccc(Br)cc23)CC(C)(C)N1 951939 ZEAOPKYYJHGEJF-UHFFFAOYSA-N 363.303 4.113 0 40 FIAB COc1cc(OC)c(C(=O)OCc2cccc3ccccc23)cc1OC 2634420 FAQCIDCZTCGTQK-UHFFFAOYSA-N 352.386 4.223 0 40 FIAB COc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1 2930843 WPNIJQGMUSJUNC-UHFFFAOYSA-N 361.357 4.258 0 40 FIAB Cc1nnc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)n1-c1ccccc1 3349870 MAICFTMXTXWOKW-NSHDSACASA-N 359.401 4.217 0 40 FIAB O=C1c2ccccc2N[C@H](c2cccs2)N1c1ccc2c(c1)OCCO2 3388587 VADICCBVJSPFAR-IBGZPJMESA-N 364.426 4.290 0 40 FIAB COc1ccc2nc(NC(=O)CCc3c[nH]c4ccccc34)sc2c1 3538404 FDRWYXANZBLSTI-UHFFFAOYSA-N 351.431 4.358 0 40 FIAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCC(Cc2ccccc2)CC1 4230365 JWNNXUBXAUBATN-FQEVSTJZSA-N 369.557 4.470 0 40 FIAB CCOC(=O)[C@H](C)Oc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340335 AETUZPKHLDPNFH-AWEZNQCLSA-N 352.386 4.099 0 40 FIAB biogenic CC[C@@](C)(Nc1cccc(OC)c1)c1nnnn1-c1c(C)cccc1C 4936418 UYQORDJNBSDXCS-HXUWFJFHSA-N 351.454 4.025 0 40 FIAB CCCC[C@@H](CC)CN[C@H](CC(=O)Nc1cc(Cl)ccc1C)C(=O)O 5258234 XSCNERKRSDZAAY-RHSMWYFYSA-N 368.905 4.236 0 40 FIAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C 5628720 DTKRMXWVVCFBFV-ZDUSSCGKSA-N 358.463 4.429 0 40 FIAB COc1ccc(Cc2nnc(SCC(=O)c3cc(C)ccc3C)o2)cc1 5788575 FZXLYATYLZVZRG-UHFFFAOYSA-N 368.458 4.261 0 40 FIAB Clc1ccc(-c2nnc(CSc3nnc4n3CCCCC4)o2)cc1 6097122 KNABQARAARCMLI-UHFFFAOYSA-N 361.858 4.000 0 40 FIAB O=C(NC[C@H]1CCCO1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 6112298 HXHDEWGIHBJWNI-MRXNPFEDSA-N 371.440 4.292 0 40 FIAB biogenic O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc(Oc2ccccc2)c1 6881684 XTQVMMHMYKNBNS-UHFFFAOYSA-N 361.397 4.431 0 40 FIAB Cc1ccccc1Nc1nnc(SC[C@@H](O)COc2ccccc2)s1 7032346 DZQHILVEEAQRAF-AWEZNQCLSA-N 373.503 4.122 0 40 FIAB C[C@@H](SCC(=O)NCCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 7942352 VUVLCNGVVUCRFQ-CYBMUJFWSA-N 373.909 4.369 0 40 FIAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccccc2)cc1 8476486 RWEUNMYRVVFBHY-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB CCCOC(=O)c1ccc2nc(C)c(CN3CCC(C)CC3)c(O)c2c1 8717196 MFAUSTDDNGMOEN-UHFFFAOYSA-N 356.466 4.048 0 40 FIAB O=C(CSc1nccn(-c2ccc(F)cc2)c1=O)c1ccc(Cl)cc1 9639603 RDONPHTXMZVSMG-UHFFFAOYSA-N 374.824 4.000 0 40 FIAB Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2 9871171 JMYKTAGFWBWLBW-QGZVFWFLSA-N 357.841 4.027 0 40 FIAB COc1ccc2oc(-c3csc(NC(=O)c4cc(C)on4)n3)cc2c1 11027650 WWZNMGYSVOILBJ-UHFFFAOYSA-N 355.375 4.114 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1cc2c(cc1Cl)OCCO2 11230547 BCKNNOAYPVJXDC-UHFFFAOYSA-N 369.804 4.282 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)N=C(O)CO3)cs1)c1cccs1 11967384 VDXYYAMJJUNIJM-UHFFFAOYSA-N 357.416 4.104 0 40 FIAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NCc1ccco1 12569088 LXLJWQCSDFHQNX-QMMMGPOBSA-N 364.776 4.144 0 40 FIAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccc(F)cc1 12760020 XBGGVSAKVVPEPR-UHFFFAOYSA-N 350.796 4.221 0 40 FIAB O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1ccc(Cl)c(Cl)c1 13577288 OGMFOOKQZDXNPO-INIZCTEOSA-N 374.227 4.219 0 40 FIAB COc1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13724987 QSYYDNWIUYPXCR-UHFFFAOYSA-N 359.414 4.077 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14235686 WKDVOSINHSVWIW-CZUORRHYSA-N 369.431 4.012 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCc1csc(-c2ccccc2)n1 15832403 KLBPZFQKAGQROO-KRWDZBQOSA-N 370.449 4.423 0 40 FIAB COc1ccc([C@H](O)c2nc(-c3ccncc3)cc3ncccc23)c(C)c1 19570535 OUKMFIFBPSNIHA-QFIPXVFZSA-N 357.413 4.091 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20143797 KWTAYSKPALLIPZ-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB Cc1cccc(COc2ccccc2C(=O)OCc2nnsc2Cl)c1 21604667 DACSLFKLPWNDDX-UHFFFAOYSA-N 374.849 4.436 0 40 FIAB Clc1ccc(COc2ccc3ccccc3c2CNc2nnn[nH]2)cc1 22111614 GWZNIJMSTZLFCA-UHFFFAOYSA-N 365.824 4.197 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2cccs2)cs1 24691526 UDHNOLWYNJKALL-UHFFFAOYSA-N 358.444 4.172 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2cc(C)cc(C)c2)c1 25079129 HSHGVNGNUHJFPX-INIZCTEOSA-N 373.518 4.431 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c1 25816412 JNBNMFVADGZAAN-UHFFFAOYSA-N 367.449 4.089 0 40 FIAB COC(=O)C1CCN(Cc2cc(-c3ccc(Cl)cc3Cl)no2)CC1 28634268 KOAIKJSOROGZIL-UHFFFAOYSA-N 369.248 4.033 0 40 FIAB COc1cccc(CO[C@@H](C)C(=O)N2CCCSc3ccccc32)c1 31700574 IFUOCMFJBOCYIT-HNNXBMFYSA-N 357.475 4.129 0 40 FIAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@H]1c1ccc(F)cc1 32901272 IQAOXWARCHSBGB-HXUWFJFHSA-N 357.450 4.280 0 40 FIAB Cc1nc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)sc1C 32932193 DXYXEIJSHSMVID-CYBMUJFWSA-N 372.519 4.225 0 40 FIAB CC(=O)c1c(C)cc(C)c(CSc2nnc3cc(C)nc(C)n23)c1C 33033316 HVOLCRLDMMLADF-UHFFFAOYSA-N 354.479 4.161 0 40 FIAB O=C(CSC1=N[C@@H]2CCCC[C@@H]2O1)N1c2ccccc2[C@H]2CCCC[C@@H]21 37613813 CVBUAWPIJKKUHS-FPAYPSAMSA-N 370.518 4.490 0 40 FIAB COc1ccccc1CNC(=O)CCOc1cccc(Cl)c1Cl 40140268 XKDCGESYUBBLCN-UHFFFAOYSA-N 354.233 4.087 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)c2sc(Cc3ccccc3)nc2C)on1 40154749 MVHYEUNRTHXPFN-MRXNPFEDSA-N 367.474 4.316 0 40 FIAB COCCOCc1cccc(NC(=O)N(C)Cc2ccc(Cl)s2)c1 47590549 JKYBYTNHYKNYRY-UHFFFAOYSA-N 368.886 4.228 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 48374800 AJVWIWARFDYOHV-MRXNPFEDSA-N 365.477 4.254 0 40 FIAB Fc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nc2ccc(Cl)cn12 66089218 XVJYBUYKHDADKO-UHFFFAOYSA-N 363.179 4.421 0 40 FIAB O=C(NC[C@H]1COc2ccccc2C1)C1(c2cccc(F)c2)CCCCC1 71824179 YNHUFKIBXAJHKS-KRWDZBQOSA-N 367.464 4.395 0 40 FIAB O=C(c1ccncc1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349137 BBTLAZQKQSVWES-SFHVURJKSA-N 361.420 4.303 0 40 FIAB O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72357814 MPHSVUABMFROGC-NRFANRHFSA-N 361.420 4.184 0 40 FIAB CCN(CC)[C@@H]1Oc2cc3c(cc2[C@@H](c2ccc(OC)cc2)[C@H]1C)OCO3 73336484 WWDZZJZRKOMCFQ-KHIBUBOWSA-N 369.461 4.252 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c(Cl)c1 78899961 DBYIGEZSKJQUPV-UHFFFAOYSA-N 365.760 4.174 0 40 FIAB CN(C(=O)c1cccn(Cc2ccccc2)c1=O)C1CCCCCCC1 83855656 QXWQDUGVNHMLLZ-UHFFFAOYSA-N 352.478 4.082 0 40 FIAB COc1ccc2oc(C)c(C(=O)Nc3c(C)cnn3-c3ccccc3)c2c1 84564118 BLUWNXKHHOOMMB-UHFFFAOYSA-N 361.401 4.496 0 40 FIAB Cc1nn(C)c(C)c1CCNC(=O)c1cc2sc3ccccc3c2s1 95349621 ZXLGLETUKFFQEI-UHFFFAOYSA-N 369.515 4.439 0 40 FIAB CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1 95400016 YJNGQTLXGZBXKQ-ZDUSSCGKSA-N 371.437 4.139 0 40 FIAB COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 95959444 XJWPOUSGHFEUKQ-RTBURBONSA-N 373.456 4.112 0 40 FIAB CCOC(=O)CCCCCCSc1nnc2c3ccccc3ccn12 96191802 VNJNWWSRRUCTHY-UHFFFAOYSA-N 357.479 4.488 0 40 FIAB Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1 97077504 INVWMWBKFWUMCN-OAHLLOKOSA-N 368.393 4.072 0 40 FIAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 100396982 FTAWKVYXFPFRCC-QFIPXVFZSA-N 366.505 4.473 0 40 FIAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(C(F)(F)F)cc1 102148445 IMMIBVVDQIFTAZ-RWMBFGLXSA-N 355.356 4.013 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCc2ccccc21 219063931 QSTROHKVZUSBFM-MRXNPFEDSA-N 372.896 4.066 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(C)cc2C)c2ccccc12 222626547 HZWPGJWWYWFEBX-OAHLLOKOSA-N 351.402 4.152 0 40 FIAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1Cl 222757423 SGNXEIJOEPYBDW-MRXNPFEDSA-N 372.896 4.030 0 40 FIAB CN(Cc1nc(-c2cccs2)no1)C(=O)C1(c2ccccc2)CCCC1 222805581 HRYZWAMTHLBXAB-UHFFFAOYSA-N 367.474 4.269 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)cc1C 223367561 DNFRHIMKJYASLV-UHFFFAOYSA-N 368.260 4.184 0 40 FIAB Cc1ccc(CCC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 223767191 OPSGKLLXKITFSQ-UHFFFAOYSA-N 369.852 4.256 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cccc(C)c1C 223963985 HMDLGWAUGGAQGA-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCSC2CCCCC2)c1 225358390 NHUYDMIYCZQHPS-UHFFFAOYSA-N 366.552 4.216 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)Cc1cccc(Cl)c1)CC(C)(C)O2 225496436 MFDDLDIUTSOCGH-QGZVFWFLSA-N 359.853 4.310 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(F)(F)F 243786028 QIAOJRUJRQMHPU-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)ccc1Cl 408678089 FHJNXVGNLBJNDI-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB Cc1cccc(C2=N/C(=C\c3ccc(C(=O)OCC(C)C)cc3)C(=O)O2)c1 408731112 KORPPZWFWWAGAQ-UNOMPAQXSA-N 363.413 4.152 0 40 FIAB Cc1cc(NC(=O)NC[C@@H](C)c2nccs2)cnc1N1CCCC[C@H]1C 580379439 ANVZTXUERJLDFE-HUUCEWRRSA-N 373.526 4.151 0 40 FIAB Cc1cc2nccc(Nc3ccc(OCc4ccccn4)c(Cl)c3)n2n1 643550471 IHRQNUOCECXODM-UHFFFAOYSA-N 365.824 4.409 0 40 FIAB CC[C@H](C)[C@H](N)Cc1nc(-c2cc(C)c(Br)c(C)c2)no1 1247821696 PYKWJIJVPPRGOF-TVQRCGJNSA-N 352.276 4.032 0 40 FIAB CC1(C)N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N(c2ccccc2)C1=O 1333384621 HOOTZMHCGFESQU-GOSISDBHSA-N 366.852 4.144 0 40 FIAB CC[C@@H](NC(=O)c1onc2ccccc12)c1nc(C(F)(F)F)cs1 1566023139 MUGIPYOBCATWNZ-SECBINFHSA-N 355.341 4.184 0 40 FIAB CCc1cc(I)ccc1NC(=O)c1ccc(F)cc1 725031 CHGJMEHVHNGSDT-UHFFFAOYSA-N 369.177 4.245 0 40 FIAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1 883944 LWYDHIFSDUAOND-NRFANRHFSA-N 359.477 4.249 0 40 FIAB Cc1ccc(C(=O)N[C@H](Nc2ccccc2F)C(=O)c2ccccc2)cc1 1086648 ZXCSKENHNVTZNQ-NRFANRHFSA-N 362.404 4.185 0 40 FIAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1cccc(Br)c1 1512089 CVARMYJIZFPQTO-HMSDUJDUSA-N 354.203 4.459 0 40 FIAB Cc1ccc2oc(-c3ccc(Cl)cc3)c(O[C@@H](C)C(=O)O)c(=O)c2c1 1942123 DGUBFLHVMPTWJI-NSHDSACASA-N 358.777 4.274 0 40 FIAB C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N21 2140162 ALBUDBJWMWNMKJ-PIGZYNQJSA-N 365.820 4.276 0 40 FIAB biogenic COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(C)cc3)cc12 2419307 WVODTERVJVIBJA-UHFFFAOYSA-N 354.402 4.432 0 40 FIAB biogenic Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)c(C)c1 2887817 FNJLXJSNUKWQGK-UHFFFAOYSA-N 351.475 4.401 0 40 FIAB COP(=O)(OC)c1nc(-c2ccccc2)oc1NCc1ccccc1 2908113 VEMCFPVNDMUGAZ-UHFFFAOYSA-N 358.334 4.065 0 40 FIAB CCCCC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 3116946 JZWKQLCFGOAPPQ-UHFFFAOYSA-N 355.457 4.281 0 40 FIAB CN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 3317355 AMPANEAQYNGAEU-UHFFFAOYSA-N 359.425 4.025 0 40 FIAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)cc3)cc12 3902766 HDPYHOXKNWBLSN-UHFFFAOYSA-N 354.358 4.146 0 40 FIAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)CCc2ccccc2)CSC3)cc1 3912424 OXBTYSYJULJVFJ-UHFFFAOYSA-N 363.486 4.499 0 40 FIAB CC1(C)C2=C(Cl)[C@H](O)[C@](Cl)(c3ccccc3)C(=O)N2c2ccccc21 4280427 IPYGTHFYUOHJQC-FXAWDEMLSA-N 374.267 4.270 0 40 FIAB Cc1cccc(N2C(=O)c3ccc(NC(=O)CC(C)C)cc3C2=O)c1C 4670591 CERBCOVVXIELAV-UHFFFAOYSA-N 350.418 4.089 0 40 FIAB Cc1cccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)c1 4740417 NEBFXNHKHVNTIO-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB Cc1cc2ccccc2nc1NCCNC(=O)C12CC3CC(CC(C3)C1)C2 4886215 QNFDHEJFWQFQKE-UHFFFAOYSA-N 363.505 4.288 0 40 FIAB CCN(C(=O)COC(=O)CSc1cc(C)ccc1C)C1CCCCC1 5020618 KVXIWIRSVFOPLR-UHFFFAOYSA-N 363.523 4.120 0 40 FIAB Cc1cc(NC(=O)CSCc2c(C)noc2C)ccc1Br 5678846 NWCAPYGMIWDBCF-UHFFFAOYSA-N 369.284 4.234 0 40 FIAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(F)c1 6219348 CBDJKLFJDKUNHL-UHFFFAOYSA-N 363.414 4.361 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1OC 6274250 IAWSGNQQMMGJTC-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)[C@H]1C 6795020 APIOFWMIYQNSTG-WMDIELAYSA-N 364.574 4.429 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/c1nc2ccccc2c(=O)[nH]1 6908645 KLTRIMUJPXWNEG-VAWYXSNFSA-N 362.820 4.241 0 40 FIAB Cc1cc(C)cc(-n2c(SC[C@@H]3CCCO3)nc3ccccc3c2=O)c1 6992636 WFIDOKPOROMJLD-KRWDZBQOSA-N 366.486 4.274 0 40 FIAB CCc1nnc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)s1 7347544 NHEPVGMDJOPACW-UHFFFAOYSA-N 369.874 4.050 0 40 FIAB c1csc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)c1 7523953 JXYUKNQIRWYZPV-UHFFFAOYSA-N 353.443 4.346 0 40 FIAB CCOc1c(Br)cc(CNCc2ccc(C)cc2)cc1OC 7538048 ATBMYNRUMWRQQN-UHFFFAOYSA-N 364.283 4.455 0 40 FIAB CCCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC 7886172 PCWPVULPZWTTMT-FQEVSTJZSA-N 352.434 4.213 0 40 FIAB Cc1cccc(/C=C/C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)c1 8009767 CAWIJQPIXDALTQ-BUHFOSPRSA-N 359.473 4.469 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1 8205999 CDSZNCNJPLDRLZ-UHFFFAOYSA-N 350.187 4.190 0 40 FIAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccnn1Cc1ccccc1 9500380 MKRDUNFBTVEKSC-UHFFFAOYSA-N 363.486 4.151 0 40 FIAB CC(C)c1nc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nn1-c1ccccc1 9723131 FWQDLPFWOJRSAK-HOTGVXAUSA-N 372.538 4.272 0 40 FIAB Cc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@H](c1ccccc1)C2 10156839 MUXCILDUCRHDBY-GOSISDBHSA-N 355.441 4.392 0 40 FIAB CC(C)[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1cccs1 11212827 HKNGFLHLPPLMCO-SFHVURJKSA-N 350.915 4.347 0 40 FIAB CC(C)(C)c1ncc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)cn1 12188245 YJUSCEHHILCLHG-GOSISDBHSA-N 374.488 4.342 0 40 FIAB O=C(C1=CCCCC1)N1CCC[C@@H]2CN(CCc3ccccc3)CC[C@@H]21 12245461 FACMIUMELWZFRC-YADHBBJMSA-N 352.522 4.042 0 40 FIAB CC[C@H](C)Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 12419388 WRWIDMGFPNZCQL-ZDUSSCGKSA-N 360.435 4.286 0 40 FIAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(C(C)C)CO4)cc1 12442397 VSAOOOMWWCOXJC-UHFFFAOYSA-N 351.402 4.029 0 40 FIAB biogenic Cc1ccc(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)nc1 12535905 OHKTYJRUHLUZQV-UHFFFAOYSA-N 366.490 4.430 0 40 FIAB COc1ccc(CN(C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)cc1F 12779410 ZSCGXVRKWHICFD-CQSZACIVSA-N 355.413 4.386 0 40 FIAB CSc1ccc(CN(C)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1 12780066 XAUDKESQMGQERK-UHFFFAOYSA-N 360.504 4.091 0 40 FIAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3cccc(F)c3)oc12 12997924 UXBYRVHEOQBOEI-LBPRGKRZSA-N 363.410 4.010 0 40 FIAB COc1ccc2oc(-c3csc(NC(=O)c4cc(C)no4)n3)cc2c1 13006960 HVPVGGJSVKHGEV-UHFFFAOYSA-N 355.375 4.114 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNC3CCCCC3)cc12 13564686 TXPQUCUUYCZGCE-UHFFFAOYSA-N 370.884 4.098 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1nccc(-c2ccco2)n1 13644780 KFSWRFVCDDPAIX-UHFFFAOYSA-N 364.188 4.061 0 40 FIAB COc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 14220718 UZOWHNHUNMQYOT-SNVBAGLBSA-N 360.262 4.042 0 40 FIAB CCCC(=O)N1CCCC[C@H]1c1nc(CCC)ncc1-c1cc(C)no1 19525511 ONTKRLJFXVMDFV-INIZCTEOSA-N 356.470 4.246 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1OC 20454080 IWFSIEOFDCYUJF-IRXDYDNUSA-N 371.477 4.274 0 40 FIAB CCOCc1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 29281770 ZMXDJXVQLORHCW-UHFFFAOYSA-N 352.261 4.389 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1Cl 31054630 WHGFFMLZALDQGP-JTQLQIEISA-N 368.216 4.186 0 40 FIAB Cc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@@]2(O)C(F)(F)F)cc1 32100781 JEBNWCXOKCCXTE-QGZVFWFLSA-N 354.372 4.028 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(-c2nc(-c3ccccc3)no2)c1 33012717 VBHUFOGCJPUEPT-UHFFFAOYSA-N 371.396 4.421 0 40 FIAB COc1ccc(C(=O)Nc2cccnc2Oc2ccccc2)cc1OC 36391409 BMVJMYFOTUXJOD-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB COc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1OCc1ccncc1 36394622 MXXDVXGYKKPIKJ-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB CC(=O)N[C@@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C1CCCC1 36394990 CVVXULHLVZSSAZ-HXUWFJFHSA-N 351.450 4.064 0 40 FIAB CC(C)CCNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38859128 YMLAAJAPWHDSGG-AWEZNQCLSA-N 357.325 4.368 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 44515839 AQGKLFHMQJFRNE-HOCLYGCPSA-N 356.853 4.197 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)c2sc(-c3ccsc3)nc2C)on1 47266631 NWAAMJRUCNEBPE-CYBMUJFWSA-N 359.476 4.454 0 40 FIAB CCOc1ccccc1C(=O)N(C)Cc1cc(Br)cs1 48069487 DVDFYEFBCDHRAD-UHFFFAOYSA-N 354.269 4.182 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)N3CCN(c4ccc(F)cc4)CC3)o2)cc1 57290013 PXZXJABWNQUMET-INIZCTEOSA-N 366.440 4.067 0 40 FIAB Cc1cc(NCCc2nc(-c3ccccc3)oc2C)nc(-c2cccnc2)n1 58139803 UWUUDKWAZRSFHO-UHFFFAOYSA-N 371.444 4.465 0 40 FIAB CC(=O)N1CCC(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)CC1 58172364 KPSMSCBCSPNQCP-MRXNPFEDSA-N 365.477 4.057 0 40 FIAB COc1cc(C(=O)N(C2CC2)[C@H](C)c2ccccn2)ccc1OC(C)C 58223464 RYNPZDFGBROTIU-OAHLLOKOSA-N 354.450 4.243 0 40 FIAB O=C(NCc1cc2ccccc2[nH]1)c1cc(-c2cccc(Cl)c2)on1 58438765 IPOVWBDQLGAZJX-UHFFFAOYSA-N 351.793 4.406 0 40 FIAB Cc1ccc(-c2nnc(Cc3nc(-c4cccc(Cl)c4)no3)o2)cc1F 65185427 MQVHHEGDWLRVGV-UHFFFAOYSA-N 370.771 4.478 0 40 FIAB C[C@@H](C(=O)O[C@H](C)c1nc2ccccc2s1)n1c(=O)oc2ccccc21 71793366 CKTCOOZAGRZIOF-NWDGAFQWSA-N 368.414 4.070 0 40 FIAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)c1 72359326 NHUOEZUXUNBABJ-FQEVSTJZSA-N 357.457 4.472 0 40 FIAB CCC(CC)n1nccc1C(=O)NC[C@H](c1ccccc1)N(CC)CC 89943224 CTZKYNYAZNMUEN-HXUWFJFHSA-N 356.514 4.057 0 40 FIAB COc1ccccc1NC(=O)NCc1ccc(C(=O)c2cccs2)s1 90610606 HEMKIBRETXZUQJ-UHFFFAOYSA-N 372.471 4.371 0 40 FIAB O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1c[nH]c2ccccc2c1=O 95465933 DRETXYQHKXHWAF-QGZVFWFLSA-N 362.404 4.033 0 40 FIAB FC(F)(F)c1ccc(N2CCC[C@@H](Oc3ccccc3Cl)C2)nn1 95981620 QXUDPKIMGSRKFU-LLVKDONJSA-N 357.763 4.197 0 40 FIAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccsc2)C3)c1 96046635 GEIVRMGSIPNTKW-UHFFFAOYSA-N 356.535 4.245 0 40 FIAB Cc1nc(C)c2c(C)c(/C=C3\N=C(c4ccc(C)s4)OC3=O)sc2n1 96991213 KWDMVEPCNZKEGM-GHXNOFRVSA-N 369.471 4.331 0 40 FIAB Cc1nn2c(O)c3c(nc2c1-c1ccc(Br)cc1)CCCC3 101083931 ZHURIQMQEPAKNC-UHFFFAOYSA-N 358.239 4.052 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(F)ccc1-n1cccn1 106663701 NNISPVMRSBIBGB-UHFFFAOYSA-N 364.355 4.259 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 195529349 PQEFVWPSUOALNZ-RADWXHQJSA-N 371.525 4.295 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)s1 223521828 KVLHPRSGKXEQIC-ZWKOTPCHSA-N 366.515 4.019 0 40 FIAB CC(C)(C)c1ccc(OCCNC(=O)COc2cccc(Cl)c2)cc1 223657961 LCXVKFXHUGRQDC-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 224288862 JXTKOEWOKHEYFY-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCCCC1 226266581 VKYSIYALWWOJLF-UHFFFAOYSA-N 374.282 4.274 0 40 FIAB COc1ccc(NC(=O)c2ccc(C)cc2)cc1-c1ccc(C(=O)O)o1 226355987 MOPZOMUYYKMGGY-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ccccc1F 408627955 RXGWWQBKNRJXHI-UHFFFAOYSA-N 359.397 4.360 0 40 FIAB CC1(C)C[C@@H](O)c2c(OCc3cccnc3C(F)(F)F)cccc2O1 530164733 LEACHSMPZJZAMK-GFCCVEGCSA-N 353.340 4.274 0 40 FIAB CSc1ccc(CCC(=O)NCc2nccnc2-c2cccs2)cc1 575621617 ZGJSNBISJVTBKQ-UHFFFAOYSA-N 369.515 4.176 0 40 FIAB Cc1cnc(-c2nccnc2[C@@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)[nH]1 585182544 INLWCACNIRGWOT-GOSISDBHSA-N 372.476 4.036 0 40 FIAB CC(=O)N1CCC[C@H](NCc2ccccc2Cl)[C@@H]1Cc1ccc(F)cc1 585269216 LXADPFJLQZMUIO-SFTDATJTSA-N 374.887 4.191 0 40 FIAB COc1ccc([C@H](O)CNC(=O)C2(c3ccc(C(C)C)cc3)CCC2)cc1 1115927151 MUXLCKKBNNZTBR-OAQYLSRUSA-N 367.489 4.090 0 40 FIAB C[C@@H]1C[C@H]1c1cc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)n[nH]1 1570721342 UDGXOJBWCSTFJJ-RGCMKSIDSA-N 358.511 4.465 0 40 FIAB Clc1ccccc1-c1cc(CSc2n[nH]c(-c3ccccn3)n2)no1 1656013008 MJRBIJCSXNEYNT-UHFFFAOYSA-N 369.837 4.467 0 40 FIAB CC(C)(C)c1nccc(N2CCC(COc3ccncc3Cl)CC2)n1 2298192543 JZYUCLCRIQLRNB-UHFFFAOYSA-N 360.889 4.118 0 40 FIAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 869103 NVKGERPBZAOUQK-UHFFFAOYSA-N 356.516 4.475 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccccc1 925434 LZLBPCVFENKBCK-HNNXBMFYSA-N 366.490 4.393 0 40 FIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(C(C)=O)cc1 953660 KGPATGWKILSFCV-UHFFFAOYSA-N 364.401 4.366 0 40 FIAB COc1ccc(-c2cc3nc4c(c(N5CCCCC5)n3n2)CCCC4)cc1 1341519 GOSBIOAQIOUMMQ-UHFFFAOYSA-N 362.477 4.274 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1 1346931 UOQMMSKIEULLSM-SFHVURJKSA-N 355.413 4.078 0 40 FIAB Cc1ccc(C)c(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1 1452570 WTYZDYKUSJEZMH-FQEVSTJZSA-N 364.470 4.416 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)OCCOc2cc3c(cc2Cl)OCO3)C1(C)C 1664942 YRGBXDMEYIOTGS-SJKOYZFVSA-N 366.841 4.229 0 40 FIAB CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN1CCCC1 2037162 XPSOFSIDLMRECY-XXBNENTESA-N 351.490 4.420 0 40 FIAB in-man Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 2361327 ZBWQWUSXRGQIQO-HWKANZROSA-N 366.273 4.223 0 40 FIAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc(C)nc2ccccc12 2630546 HIRLEACXOHRZHX-UHFFFAOYSA-N 362.429 4.210 0 40 FIAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NC1CCCCC1 2970199 ZNDLNCDSVCFFER-UHFFFAOYSA-N 373.522 4.068 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1C 3344218 NBWXHOHFYXQVON-UHFFFAOYSA-N 366.490 4.336 0 40 FIAB COc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)cc1OC 4590303 YEDGPUANHURMPE-PDGQHHTCSA-N 359.381 4.202 0 40 FIAB Cc1cc(C)c2nc3s/c(=C/c4cccc5ccccc45)c(=O)n3c2c1 4596763 ZGFLUDSXNSUINF-XDHOZWIPSA-N 356.450 4.227 0 40 FIAB Fc1ccc(OCc2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 4667826 DTWWOMNQMCSOJY-UHFFFAOYSA-N 374.828 4.148 0 40 FIAB CC(C)Oc1ccc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4680645 IOMCDXYHQFOLLN-UHFFFAOYSA-N 356.462 4.416 0 40 FIAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1C(=O)c1ccc(F)cc1 5604853 UWRYUTWWYCXIKS-CXUHLZMHSA-N 366.373 4.184 0 40 FIAB CN(C)C(=O)Oc1c(Br)cc(Br)c2ccccc12 5674749 HRUCAXULBIMERZ-UHFFFAOYSA-N 373.044 4.425 0 40 FIAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1cccc2ccccc12 6252859 LNNZOTGNUUKEQC-UHFFFAOYSA-N 371.425 4.258 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 6350352 FJJOFLJTZSCASF-UHFFFAOYSA-N 352.415 4.239 0 40 FIAB CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)C(C(=O)OC)=C1C 6654691 MWJPTPBEURMNAR-XFXZXTDPSA-N 354.233 4.076 0 40 FIAB CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1CCC 6947916 JCLLCORBXGWQQR-UHFFFAOYSA-N 374.554 4.020 0 40 FIAB CSc1ccc2cc(COc3ccc(C(N)=O)cc3)c(Cl)nc2c1 7510012 SFWWXJOYOJYWTO-UHFFFAOYSA-N 358.850 4.288 0 40 FIAB CCOC(=O)c1ccc(-c2ccc(CNCc3ccc(OC)cc3)o2)cc1 7538612 NIMFQUCTJOMUDI-UHFFFAOYSA-N 365.429 4.422 0 40 FIAB C[C@@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 7966138 YNZFFODOXFQVFY-BXUZGUMPSA-N 350.245 4.422 0 40 FIAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cc(Cl)ccc1N1CCCC1 7987004 ZZVBYNZAKJETTH-GOSISDBHSA-N 370.836 4.181 0 40 FIAB Fc1ccc(OCc2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1 8393379 ORURSBKFKNBYQO-UHFFFAOYSA-N 374.828 4.148 0 40 FIAB CNC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 8428108 NGOZVWCRAVKKGW-UHFFFAOYSA-N 354.413 4.400 0 40 FIAB Clc1ccccc1COc1cccc2ccc(N3CCOCC3)nc12 8769711 UPSSVGQDIXUJGA-UHFFFAOYSA-N 354.837 4.304 0 40 FIAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1c(F)cccc1Cl 8771882 CXOCSWSGMWCFGM-UHFFFAOYSA-N 364.785 4.112 0 40 FIAB CC(C)(C)c1cc(-c2nnc(S)n2-c2ccccc2C(F)(F)F)[nH]n1 9013005 QGJMQHKIDABKNC-UHFFFAOYSA-N 367.400 4.262 0 40 FIAB CC(C)(C)CC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 9038584 LACJQGKATUWDTK-UHFFFAOYSA-N 350.462 4.260 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccccc2Cl)CC1 9063248 YEIRBONYEZNXJZ-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc2[nH]nnc2c1 9749558 AYNPTQQURSCLNF-IBGZPJMESA-N 362.820 4.131 0 40 FIAB NC(=O)c1oc2ccccc2c1NC(=O)CCCSc1ccccc1 10217827 PXWBNLNZNMASKZ-UHFFFAOYSA-N 354.431 4.043 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(Cl)c(Cl)c1 10234918 FZMAGGSZSXIXBF-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB O=C(CSc1nncc2ccccc12)Nc1cccc(C(F)(F)F)c1 12138988 DSALEPASVMCNDY-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(Cc1ccc2c(c1)OCO2)C3 12236770 HEKDOBABBMLSIV-UHFFFAOYSA-N 362.385 4.095 0 40 FIAB O=C(COc1cccc(Oc2ccccn2)c1)N(Cc1ccccc1)C1CC1 12537828 SYNWWQNKNRGRDL-UHFFFAOYSA-N 374.440 4.444 0 40 FIAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cn1 12603933 ZVVGHNVRNFJPGH-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1Br 12727876 LOGMSRMQBLLAHA-UHFFFAOYSA-N 361.195 4.160 0 40 FIAB CCc1c(C)sc2nc(SCCO)n(-c3cc(C)ccc3C)c(=O)c12 12732768 HEHMAXXOZHEVJE-UHFFFAOYSA-N 374.531 4.019 0 40 FIAB O=C(COc1ccccc1)Nc1nc2ccc(OC(F)(F)F)cc2s1 12764187 JEGSJBABNIBMAY-UHFFFAOYSA-N 368.336 4.212 0 40 FIAB CC[C@H](NC(=O)COc1cccc(C)c1)c1ccc(Br)cc1 12777505 VCAXCTISWIIPPN-KRWDZBQOSA-N 362.267 4.404 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)n2)c(C)c1 12792627 IQMVILOAKUQAOS-AWEZNQCLSA-N 373.522 4.225 0 40 FIAB CC(C)N(CCNC(=O)Cc1coc2ccc3ccccc3c12)C(C)C 12983323 MDTCBEQKEYXTNX-UHFFFAOYSA-N 352.478 4.364 0 40 FIAB COc1cc2cc(CNc3ccc(C(C)C)cc3)c(=O)[nH]c2cc1OC 13561398 WHZQOTWCINYLCC-UHFFFAOYSA-N 352.434 4.281 0 40 FIAB O=C(CSCc1c(F)cccc1Cl)NCCCN1CCCCCC1 13669254 GCAFIFGXINFCLZ-UHFFFAOYSA-N 372.937 4.095 0 40 FIAB COc1ccccc1CCNC(=O)c1ccc(C2SCCS2)cc1 14136650 MWKWLSJODKHMPF-UHFFFAOYSA-N 359.516 4.146 0 40 FIAB Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1ccncc1 14138924 ZSIMAJGWTSEKNM-UHFFFAOYSA-N 350.369 4.188 0 40 FIAB CSc1cccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 14141639 MWLQXBPLQZQTHR-UHFFFAOYSA-N 367.474 4.405 0 40 FIAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccco3)n(C)c2=S)cc1 14159010 GXPKPIVEKKRDIU-MRXNPFEDSA-N 370.478 4.014 0 40 FIAB O=C(Oc1cccc2cccnc12)c1ccc(NC(=O)c2ccco2)cc1 15575175 YUXJKBVDWLUCJF-UHFFFAOYSA-N 358.353 4.299 0 40 FIAB CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 17334308 MNPZOKLAGUGKPC-UHFFFAOYSA-N 350.443 4.273 0 40 FIAB O=C1CC[C@]2(C(=O)Nc3ccc(F)c(Cl)c3)Sc3ccccc3N12 17579730 XPXBRIVJCUJZQC-QGZVFWFLSA-N 362.813 4.047 0 40 FIAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCCO2 18109316 XIPHGKWTIMBJAP-OAHLLOKOSA-N 369.461 4.012 0 40 FIAB Cc1noc(C(C)C)c1C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 19298338 XYWBQWAFKFYURV-UHFFFAOYSA-N 365.813 4.278 0 40 FIAB C[C@@H](CN1CCOCC1)OC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 19897291 YNAIBQUOBOLUOZ-INIZCTEOSA-N 361.526 4.159 0 40 FIAB O=C(NCc1ccc(F)cc1)[C@H](Sc1ccccn1)c1ccccc1 19926808 WQMWCIRWJKCCEP-LJQANCHMSA-N 352.434 4.371 0 40 FIAB O=C(NCc1ccc(F)cc1)[C@H](SC1=NCCS1)c1ccccc1 19926849 ZJIVQLAHLOMJKB-MRXNPFEDSA-N 360.479 4.019 0 40 FIAB COc1ccc(SCC(=O)Nc2cc(Cl)ccc2C)cc1OC 20455249 MGGANICPJBVJNZ-UHFFFAOYSA-N 351.855 4.396 0 40 FIAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 20632377 IJWGAQKYYALYMS-OAHLLOKOSA-N 366.490 4.175 0 40 FIAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4)nc32)c1 21801286 IVWISOAVOVFZHP-UHFFFAOYSA-N 369.428 4.361 0 40 FIAB COc1ccc(NC2(c3nnnn3-c3ccccc3)CCC(C)CC2)cc1 22437039 MQKHVKHFHVMDQS-UHFFFAOYSA-N 363.465 4.188 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OC)c(OC)c2)cc1 22526056 JUVCTRLKMFZCPD-SFHVURJKSA-N 357.450 4.230 0 40 FIAB CC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1 22620356 WDMSZBJXFVEZBV-YADHBBJMSA-N 366.505 4.142 0 40 FIAB Cc1ccc(-n2ncc3c(C)nnc(SCc4ccccn4)c32)cc1C 23137770 SSXZMCNXVLKCPT-UHFFFAOYSA-N 361.474 4.428 0 40 FIAB O=C(CCN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1cccc(F)c1 24668260 ZNOCGZQNPSSOAI-HNNXBMFYSA-N 367.424 4.175 0 40 FIAB CCc1ccc(-[n+]2cc(-c3ccc(OC)cc3)n3c2SCCC3)cc1 27788708 SUONRPKAQYAESI-UHFFFAOYSA-N 351.495 4.499 0 40 FIAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(Cl)cc1Cl 29838626 FWPFRHIUTVNRSM-UHFFFAOYSA-N 363.288 4.172 0 40 FIAB CCOC(=O)c1c(NCc2ccccc2F)c2ccc(Cl)cc2[nH]c1=O 33256892 KZDKPBSZEGYLKV-UHFFFAOYSA-N 374.799 4.109 0 40 FIAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cc(-c2ccc(F)cc2)no1 35322659 KRPDMIAVJNNGJT-UHFFFAOYSA-N 365.408 4.329 0 40 FIAB O=c1[nH]c(-c2cc(Br)cs2)nc2sc3c(c12)CCCC3 36611514 QCZMIOFSFPVDKG-UHFFFAOYSA-N 367.293 4.354 0 40 FIAB Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(Cl)cc3)no1)cn2C 38487627 YJBBHZDCOCVXHW-UHFFFAOYSA-N 351.793 4.217 0 40 FIAB NC(=O)c1c(NC(=O)C2(c3ccccc3)CCCC2)sc2c1CCCC2 41091667 BZNLCVIYMINUSS-UHFFFAOYSA-N 368.502 4.176 0 40 FIAB O=C(NCCc1ccc(F)cc1)Nc1ccc(Oc2ccccc2)nc1 48310976 ZRBXSIQTPQAXSS-UHFFFAOYSA-N 351.381 4.377 0 40 FIAB CC(C)(C)c1nnc(NC(=O)c2csc(NCc3ccccc3)n2)s1 49551086 XNHOUAODOBBXFE-UHFFFAOYSA-N 373.507 4.157 0 40 FIAB Cc1ccccc1-c1noc(CSc2nc(Cc3cccs3)n[nH]2)n1 55043681 OWYVCFVMSQCLPT-UHFFFAOYSA-N 369.475 4.108 0 40 FIAB CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)N3CCCCCCC3)cc21 56736251 CBVDGKJDNUFOMA-UHFFFAOYSA-N 373.497 4.256 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 69140062 RZEPRTVUQMGPHV-ABSDTBQOSA-N 368.477 4.205 0 40 FIAB CC(C)Cc1nnc(NC(=O)CCn2ccc3c(Cl)cccc32)s1 71279126 POVDPOMCHZPOHY-UHFFFAOYSA-N 362.886 4.374 0 40 FIAB O=C1N=C(Nc2ccc(F)cc2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 71288473 OKLVMQCDRDNTBX-YBEGLDIGSA-N 365.389 4.386 0 40 FIAB CCn1c2ccccc2c2cc(CN3CCc4c(O)nc(C)nc4C3)ccc21 72347440 DDMYPNSTQFTRCH-UHFFFAOYSA-N 372.472 4.177 0 40 FIAB C[C@H](Sc1ccc(Cl)nn1)C(=O)N1CCC[C@H]1c1cccs1 73930902 ONOBJJWLQMLSCQ-QWRGUYRKSA-N 353.900 4.036 0 40 FIAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N[C@H]1CCSc2c(F)cccc21 78882272 FCIADXZUTIJXEH-HNNXBMFYSA-N 361.486 4.361 0 40 FIAB CC(C)Oc1nnc(SCc2nn(-c3ccccc3)c3c2CCC3)s1 84622082 MQYKZDWXBSTEMB-UHFFFAOYSA-N 372.519 4.292 0 40 FIAB O=C1CCC(=O)N1C1CCC(N[C@@H]2CCCC[C@H]2C2=CCCCC2)CC1 90854801 WUBLBBMREYEIKM-GHBBCFCZSA-N 358.526 4.095 0 40 FIAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(F)cc(F)c1 95067993 CMNSIFFDHBXVAK-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB Cc1cnc([C@@H](C)CNC(=O)CCc2ccccc2OC(F)(F)F)s1 96014060 DNDDZRNEQAANHD-NSHDSACASA-N 372.412 4.203 0 40 FIAB Cc1ccccc1NC(=O)NCC1(Sc2ccccc2)CCOCC1 96331350 OAXILMVPHHVYBZ-UHFFFAOYSA-N 356.491 4.458 0 40 FIAB CCCO[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 97117626 XMFMOFVIYXTPQB-GFCCVEGCSA-N 360.285 4.389 0 40 FIAB O=C(Nc1cccc2ccccc12)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102831724 XRHUCSLLVCMLJM-PQJGELLGSA-N 372.472 4.366 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104092227 WNGRBYIXSNVYFL-ZOBORPQBSA-N 365.857 4.045 0 40 FIAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 169547367 DVKYXRVKMMZZBP-UHFFFAOYSA-N 353.443 4.091 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)n2cc(C(=O)OC)c3ccccc32)cc1 222642632 NMBNCMSOFQCKAJ-HXUWFJFHSA-N 365.429 4.488 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 222823533 LIPXAMLSILCIQY-RTBURBONSA-N 354.523 4.379 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223325586 QKYXMBMEMNEXCN-INIZCTEOSA-N 369.446 4.010 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCOCc1ccccc1 223377838 RNONKVLYPAVSTI-VQHVLOKHSA-N 350.245 4.340 0 40 FIAB CN(C(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1 225581948 NCKGWHWPWGXAJF-UHFFFAOYSA-N 360.860 4.354 0 40 FIAB COc1ccc(NC(=O)N2CCC(c3ncc(C(C)(C)C)o3)CC2)cc1 227167175 JCKTXYROHRZRQE-UHFFFAOYSA-N 357.454 4.392 0 40 FIAB CC(C)n1nccc1-c1ccc(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn1 257216642 CVMQHQLEMKYLLL-SFHVURJKSA-N 368.525 4.353 0 40 FIAB COCCC(=O)N[C@]1(C)C[C@H](c2c(C)cccc2C)O[C@@H]2C[C@H](C)CC[C@H]21 257230319 GBSHGFOIXAGMJF-PVIGCVSNSA-N 373.537 4.481 0 40 FIAB CC[C@@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(Cl)cc1 257302680 SDVLPXXZHHCXPL-QGZVFWFLSA-N 370.836 4.340 0 40 FIAB Cc1ccccc1CSCC(=O)N1CCN(c2cccc(C)c2C)CC1 408573975 GOLFHZFMCJPBJV-UHFFFAOYSA-N 368.546 4.194 0 40 FIAB Oc1nc(SCc2ccc(Br)cc2)nc2sccc12 408597871 VPJRWVMIEPNPGL-UHFFFAOYSA-N 353.266 4.452 0 40 FIAB O=C1S/C(=C/c2ccc[nH]2)C(=O)N1Cc1cccc(Br)c1 409332720 LTSUNHSEEKGBHK-MDWZMJQESA-N 363.236 4.014 0 40 FIAB Cc1cc2nc3s/c(=C\c4cccc(C(F)(F)F)c4)c(=O)n3c2cc1C 409394370 ZMKAHDGVWGJHAL-SXGWCWSVSA-N 374.387 4.093 0 40 FIAB C[C@H](Cc1csc2ccccc12)NS(=O)(=O)Cc1ccccc1F 575619527 GUOQZFZYYZUKCM-CYBMUJFWSA-N 363.479 4.091 0 40 FIAB Cc1ccc(N[C@@H](C)c2ccc(C(F)F)nc2)cc1-c1nnnn1C1CC1 657973687 SXXLEAFTJSOOLB-LBPRGKRZSA-N 370.407 4.489 0 40 FIAB CC(C)(C)c1nnc(N2CCC(COc3ccncc3Cl)CC2)s1 1889108794 QDVNOHYKFVNECC-UHFFFAOYSA-N 366.918 4.179 0 40 FIAB CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2c1CCCC2 670381 XPKRBSLUWFSEHC-UHFFFAOYSA-N 365.401 4.334 0 40 FIAB O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)[C@@H]1CCCO1 887369 KLFDZHWXMVWEBY-ZDUSSCGKSA-N 357.262 4.158 0 40 FIAB Cc1cccc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)c1C 1000853 HBOFPRKVHXULRL-UHFFFAOYSA-N 374.238 4.156 0 40 FIAB CC(C)C[C@H]1CC(=O)O[C@]1(C)C(=O)CSc1nc2ccccc2s1 1245875 FJRZRDBOYWONFI-SGTLLEGYSA-N 363.504 4.325 0 40 FIAB COc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 1336608 UXQGJOGBIHMDHQ-UHFFFAOYSA-N 357.837 4.084 0 40 FIAB CC[C@H]1CCCCN1C(=O)c1cccc(C(=O)N2CCCC[C@@H]2CC)c1 1456458 VEZYPIKUKOILMY-PMACEKPBSA-N 356.510 4.496 0 40 FIAB C[C@H]1CCc2c(sc3ncn(CCCOc4ccccc4)c(=O)c23)C1 1791511 HYSGNKPJNUSZAO-AWEZNQCLSA-N 354.475 4.052 0 40 FIAB CN(C(=O)CSc1nnc(Nc2ccccc2)s1)c1ccccc1 2626007 JOHGYYKMULPPPN-UHFFFAOYSA-N 356.476 4.037 0 40 FIAB CCN(CC)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3244110 ASVQOVADEOROSD-UHFFFAOYSA-N 366.490 4.207 0 40 FIAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 3340166 GXEWWVPPNYIPLM-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB Cc1cc(C)cc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)c1 4593171 ZMQGQDKSKVKHNZ-LPTDTENNSA-N 359.425 4.407 0 40 FIAB N=C1SCC(=O)N1c1ncc(Cc2ccc(Cl)c(Cl)c2)s1 5001306 KBKUNMBQGMDTTG-UHFFFAOYSA-N 358.275 4.055 0 40 FIAB Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@@H](c2ccccc2)C1=O 5451193 BVRNMEZLLCAGQF-QHCPKHFHSA-N 370.452 4.425 0 40 FIAB CCC1CCC2(CC1)NC(=O)N(CCSc1ccc(Cl)cc1)C2=O 5472379 ONFACPXZNRILOR-UHFFFAOYSA-N 366.914 4.323 0 40 FIAB COc1cc(OC)cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 5497048 CRMNJBIRQICKLI-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB C[C@@H](Sc1nncn1-c1ccccc1F)C(=O)c1c[nH]c2ccccc12 6129129 MLPSGHMWGWLRBH-GFCCVEGCSA-N 366.421 4.251 0 40 FIAB CC(=O)Nc1ccc(C2=NN=C(Nc3ccccc3Cl)SC2)cc1 6875163 JAYUEVDIUMMWOY-UHFFFAOYSA-N 358.854 4.217 0 40 FIAB COc1ccc(NC(=O)COc2ccc(-c3nc(C)cs3)cc2)cc1 7995232 DHSGSMPLSYGDNQ-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2c(s1)CCCCCC2 8303498 XVLNBXLXGSALFS-UHFFFAOYSA-N 374.481 4.257 0 40 FIAB Cc1cc(CSc2nc3ccccc3c(=O)n2-c2ccccc2C)no1 8344894 HPKFATRTXFHRHA-UHFFFAOYSA-N 363.442 4.283 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(C(C)C)cc2)cc1 8429087 BWMNWGPDDLUZJK-UHFFFAOYSA-N 374.550 4.130 0 40 FIAB Cc1nc(SCC(=O)N[C@H](C)c2ccco2)c2c(C)c(C)sc2n1 8560514 LDPHJYBGXFUIRI-SNVBAGLBSA-N 361.492 4.179 0 40 FIAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccc2c(c1)OCO2 9827862 ZVMACPPDEAYNMS-UHFFFAOYSA-N 374.352 4.026 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1cccc2c1CCC2=O 11100751 RPITVEIDQZXGEQ-GFCCVEGCSA-N 373.836 4.192 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(Oc2ccccn2)cc1 12540979 PNOKCXINMCGWRW-INIZCTEOSA-N 360.413 4.231 0 40 FIAB CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 12865355 MTDVLONNEKESDI-UHFFFAOYSA-N 372.273 4.429 0 40 FIAB Cc1ccccc1OCc1nn2c(-c3ccc(Cl)cc3)nnc2s1 13956866 AURXZLHVPCNJNV-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(C)[nH]1 14196925 MUZPNUDQBHDEPH-UHFFFAOYSA-N 370.453 4.339 0 40 FIAB COc1ccc(-c2ccnc(S[C@H](C(=O)O)c3ccccc3)n2)cc1 16217446 WSTJJSCVVNPTBN-KRWDZBQOSA-N 352.415 4.070 0 40 FIAB O=C(Nc1ccccc1)NC1CCC(OC(=O)Nc2ccccc2)CC1 16489495 VXEBLSXGQIHWES-UHFFFAOYSA-N 353.422 4.368 0 40 FIAB CCOc1ccc(OCCNC(=O)c2cc(Cl)ccc2Cl)cc1 18130872 NCQJFHQNRURPQB-UHFFFAOYSA-N 354.233 4.201 0 40 FIAB CC1(C)CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 19461213 VJYIDIHFEJATLQ-HXUWFJFHSA-N 372.553 4.167 0 40 FIAB Cn1cc(-c2csc(NC(=O)c3ccccc3)n2)c(-c2ccccc2)n1 19696573 QNMIGQVFMZTZBY-UHFFFAOYSA-N 360.442 4.463 0 40 FIAB COc1ccc(-n2ncc3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)cc1 20633069 ZBMPLNKDCUBFJF-CQSZACIVSA-N 352.821 4.447 0 40 FIAB CN(C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 21840333 NBQXTAYQCIPDCT-UHFFFAOYSA-N 356.223 4.116 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)CCc1nc(-c2ccsc2)no1 21916438 JZODDEKOFPUYBY-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB CC(C)c1c(C(=O)NCCc2cccs2)cnn1-c1ccc(F)cc1 24538091 RLRBUGHFSOVAJM-UHFFFAOYSA-N 357.454 4.169 0 40 FIAB COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(OC)c1C 26487744 JQJPAMJQCVKDPI-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCc2ccccc2C1 27979308 AWWDILBRGIGLSH-UHFFFAOYSA-N 359.473 4.007 0 40 FIAB Cc1cccc(C(=O)Nc2cc(C)c(NC(=O)c3cccc(C)n3)cc2C)n1 32909368 CHFUTBLENGOWBQ-UHFFFAOYSA-N 374.444 4.215 0 40 FIAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 36112647 AMJRXPHUVLONCQ-UEXGIBASSA-N 364.489 4.052 0 40 FIAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(F)cc2Cl)cc1OC 36394882 VYYFSASKAOPXAW-LLVKDONJSA-N 351.805 4.296 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@H](C)c1cccc(F)c1 40130442 KKYQHTDGPXRPFX-CYBMUJFWSA-N 369.415 4.187 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N[C@@H](CC)c3ccc(C)cc3)ccc21 40142795 UVNGXJPQWDYPAQ-IBGZPJMESA-N 350.462 4.175 0 40 FIAB Cc1nc(S[C@@H](C)c2nc(C(C)(C)C)no2)n(C[C@H]2CCCO2)c1C 48331602 NWBDRPPEJWWPKY-UONOGXRCSA-N 364.515 4.213 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2cccs2)C1 54135904 FFXVFSIMKRQTAO-CABCVRRESA-N 364.511 4.059 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)Nc3cccc(-n4cccc4)c3)ccc21 58332042 RBEXZNYYKLGZKE-UHFFFAOYSA-N 359.429 4.029 0 40 FIAB COC(=O)c1cccc(Nc2c(-c3ccc(C)cc3)nc3cnccn23)c1 65322766 PWKVBJDVLATILI-UHFFFAOYSA-N 358.401 4.235 0 40 FIAB COc1ccc(COCc2cccc(NC(=O)/C=C/c3ccncc3)c2)cc1 66347801 OOJDKXTZKSJBRR-JXMROGBWSA-N 374.440 4.459 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)[C@H]1C[C@@H]1C)C(F)(F)F 72307895 ZCXLGURUDBOKSL-FSBGKCOPSA-N 352.356 4.292 0 40 FIAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)c1 72349236 XOVOVMQQENKXGQ-FQEVSTJZSA-N 371.484 4.396 0 40 FIAB CCc1ccc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)O)cc1 96997105 BQEOFTZQVOAPMC-ATVHPVEESA-N 358.441 4.481 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102324756 FJMSYYOGRQLFID-NZUILWFCSA-N 357.885 4.389 0 40 FIAB Cc1ccc(N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)nc1 113734665 PSXYEDRXNLLMAZ-UHFFFAOYSA-N 354.841 4.477 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1F 216288436 YXNYIVUXLOJQLP-HNNXBMFYSA-N 361.482 4.205 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 218939403 CFTFDPUQIWGBCP-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 219024262 SGISYWPYXIYUPN-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 224107355 HGHOFXGULZZXEX-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccccc1 224412176 BYZTXUFGFACLHB-VGOFRKELSA-N 367.489 4.307 0 40 FIAB S=C(NCCCSC1CCCCC1)Nc1ccc2c(c1)OCO2 225590241 LQPBSAFVXFJYOW-UHFFFAOYSA-N 352.525 4.158 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861402 SWRZTBGIYROHCW-UHFFFAOYSA-N 353.443 4.138 0 40 FIAB CC(C)n1nccc1C(=O)N1C[C@H]2[C@@H](Oc3ccccc3Cl)CC[C@H]2C1 257231458 GGTUORDBRMKHSW-DAYGRLMNSA-N 373.884 4.047 0 40 FIAB CC(C)(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257254680 KEFCFCQHTCQPRU-UHFFFAOYSA-N 352.478 4.003 0 40 FIAB CCn1ccc2cc(C[C@@H]3CCCN(C(=O)C4CCCC4)CC3)cnc21 257287329 PPMPXTMAJYJLJF-QGZVFWFLSA-N 353.510 4.418 0 40 FIAB O=C(c1ccco1)N1CCC2(CCc3ncc(-c4ccsc4)n3C2)CC1 306131657 KLKRLIXSRSHMPY-UHFFFAOYSA-N 367.474 4.073 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc1 408548738 UHBVIZNQQBPDBV-AWEZNQCLSA-N 360.413 4.226 0 40 FIAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Cl 409127021 CCQPDKITVKEHBZ-HGLKBHAMSA-N 369.870 4.200 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CCCc3nc(C)sc32)c(C)c1 600783472 KHRZEHDOVAJQGB-MRXNPFEDSA-N 364.536 4.075 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2nc3cnccc3s2)cc1 665587904 DAPALEHXLJSBFI-MRXNPFEDSA-N 353.447 4.067 0 40 FIAB COc1cccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)n1 2037988788 IEYUAALSAJMKOT-UZLBHIALSA-N 369.484 4.109 0 40 FIAB CCOc1cc(/C=C2\N=C(C)OC2=O)ccc1OCc1cccc(C)c1 842762 NEINYEMFALMRGF-WQRHYEAKSA-N 351.402 4.289 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1)c1c[nH]nc1-c1ccc(Cl)cc1 1031945 FOWBYBFUHLUNSF-UHFFFAOYSA-N 353.230 4.216 0 40 FIAB O=S(=O)(c1ccccc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 1056399 QTDUMJZISDJPDJ-UHFFFAOYSA-N 362.410 4.236 0 40 FIAB COc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(OC)c1 1084847 HWNGDVVGQFUCPK-LDADJPATSA-N 365.429 4.346 0 40 FIAB CCOC(=O)c1cn2ncc(-c3ccc(Cl)cc3)c2nc1C(F)(F)F 1390354 PYBXVRVARBOOBP-UHFFFAOYSA-N 369.730 4.245 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3ccccc3Br)sc2C1 1510184 FMQWBKIHIWPEBN-SECBINFHSA-N 351.269 4.283 0 40 FIAB O=C(/C=C/c1cccs1)Nc1ccccc1I 2708264 DQXJHWIDPHMAAL-BQYQJAHWSA-N 355.200 4.005 0 40 FIAB CC(C)(C)c1cc(C(=O)OCC(=O)NC2CCCC2)cc(C(C)(C)C)c1 3216521 BJFNOQMUVRKREM-UHFFFAOYSA-N 359.510 4.497 0 40 FIAB Cc1ccc(-c2csc(=S)n2CC(=O)NCCCOC(C)C)cc1 3311234 DHGYIDNHNYDRKM-UHFFFAOYSA-N 364.536 4.186 0 40 FIAB O=C(COC(=O)c1cccs1)Nc1ccc(Cl)cc1C(F)(F)F 3316818 OFWYYDJEQYVVCU-UHFFFAOYSA-N 363.744 4.216 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](Sc1nncs1)c1ccccc1 3389452 MHLWVSLPKOMEQV-MRXNPFEDSA-N 371.487 4.409 0 40 FIAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(O)cc1 3530714 HZJUCDQXHCIMDG-IBGZPJMESA-N 365.360 4.068 0 40 FIAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)C1 3908211 MBEBGJJODCPCRB-QKKBWIMNSA-N 368.433 4.111 0 40 FIAB Cc1ccc([C@]2(CC(=O)NCc3ccco3)CCO[C@H](C(C)C)C2)cc1 4042815 GKUGLSVBBRHENY-RBBKRZOGSA-N 355.478 4.367 0 40 FIAB biogenic NC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCCCC2 4155676 VYBGMWJXJARLQH-UHFFFAOYSA-N 363.870 4.413 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCCc2ccccc21 4406937 ADABWJMMBHAFAR-UHFFFAOYSA-N 357.866 4.288 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)c1cccn(Cc2ccccc2)c1=O 4940262 JPJKBMSXEBAVDS-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB C[C@@H](Nc1cccc(Br)c1)C(=O)Nc1ccc(F)c(F)c1F 5689033 RXHQWTPPGMNTPS-MRVPVSSYSA-N 373.172 4.306 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)Nc2ccc(-c3ccccc3)cc2)cc1 5938994 TTWOICPULZTFDI-KRWDZBQOSA-N 360.457 4.479 0 40 FIAB Cc1cc(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)ccc1Cl 5960302 QHQZGPVZCCKCGC-UHFFFAOYSA-N 360.841 4.260 0 40 FIAB N=c1sccn1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 6890075 GKMONRSASOZVEV-UHFFFAOYSA-N 359.838 4.113 0 40 FIAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 7091851 GVRZWRZKLUHWER-GFCCVEGCSA-N 360.841 4.299 0 40 FIAB COc1ccc2nc3n(c2c1)CN(Cc1ccccc1)CN3Cc1ccco1 7496222 URVMVDAEGVTUCW-UHFFFAOYSA-N 374.444 4.075 0 40 FIAB CCN(c1ccc(-c2csc(-c3cccs3)n2)cc1)S(C)(=O)=O 8209663 FEZMDGASWILMTP-UHFFFAOYSA-N 364.517 4.325 0 40 FIAB CCn1nnc2cc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)ccc21 8269186 STTIBJLOGDFTBH-HXUWFJFHSA-N 370.456 4.165 0 40 FIAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1Cl 8707109 MQEDHOUKJKLYMW-VIFPVBQESA-N 353.205 4.161 0 40 FIAB Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(Cl)cc1 9142758 UWMCACIPZQWEBG-UHFFFAOYSA-N 351.262 4.367 0 40 FIAB Cc1n[nH]c2c1[C@H](c1cccs1)N(CCc1c[nH]c3ccccc13)C2=O 9421626 JSHZAJHDWRVZGK-IBGZPJMESA-N 362.458 4.049 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2csc(-c3ccccc3F)n2)cc1 11867519 RDDUYQMGQQOTON-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB CCOc1ccc(C(=O)N2CCC(c3onc4c3C[C@@H](C)CC4)CC2)cc1 12120327 KEACWQFYNNGXEZ-HNNXBMFYSA-N 368.477 4.218 0 40 FIAB CNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Cl)cc1 12419034 FYZGOPDQMLHKFK-UHFFFAOYSA-N 362.838 4.178 0 40 FIAB COc1ccccc1-c1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 12796033 OUDVABBFPFAJPY-UHFFFAOYSA-N 353.447 4.050 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12984421 PGLXOYWWIVWWTB-HNNXBMFYSA-N 364.445 4.101 0 40 FIAB Cc1cc(-c2csc(NC[C@@H]3CCCO3)n2)c(C)n1-c1nccs1 14234390 VKIKRPFWHQRCPK-ZDUSSCGKSA-N 360.508 4.265 0 40 FIAB Cc1ccc(-c2noc(CSc3ncnc4sccc34)n2)cc1F 14236759 FUGSXBMOEQPQHI-UHFFFAOYSA-N 358.423 4.481 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 14898759 HHLICMMNDYSXQT-UHFFFAOYSA-N 368.343 4.067 0 40 FIAB COc1cccc(-c2nn3c(-c4cc(Cl)ccc4OC)nnc3s2)c1 15107807 TXMHXUGUAHYIGL-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB CCN(C(=O)CSc1nnc(-c2cccs2)o1)c1cccc(C)c1 15669906 HDTBJKIKUDVOOS-UHFFFAOYSA-N 359.476 4.252 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 16601534 GAJRLMVYLYFPFD-INIZCTEOSA-N 374.506 4.023 0 40 FIAB C[C@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)C[C@H](C)O1 17325753 KLQRPACVHLIESS-GJZGRUSLSA-N 359.853 4.168 0 40 FIAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2[C@@H]2CCCO2)on1 19122703 FJEGNHHTMXMMEO-INIZCTEOSA-N 354.385 4.043 0 40 FIAB Clc1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCNC3)n2)cc1 19335641 FMMNBAMVBVNZET-OAHLLOKOSA-N 365.868 4.403 0 40 FIAB CCOc1ccc(CCC(=O)NCCCc2cccc(C)c2)cc1OCC 19934592 BONFBVGTHBDSCP-UHFFFAOYSA-N 369.505 4.474 0 40 FIAB COc1ccc(Nc2cc(C)nc3cc(-c4ccccc4OC)nn23)cc1 21150508 YSDFTGXIDDHEQM-UHFFFAOYSA-N 360.417 4.466 0 40 FIAB COc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1Cl 24778155 KLNUNJDZNIWSKA-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB C[C@H](c1nc2ccccc2s1)N1CCN(Cc2cccc(F)c2F)CC1 29160350 GDGBGGRDRLVZFP-CQSZACIVSA-N 373.472 4.453 0 40 FIAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)C1=O 36635562 YFDUAJKWLCCNRC-HNNXBMFYSA-N 363.244 4.300 0 40 FIAB CCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)c2ccco2)s1 40039901 PXOQYYKPDFZADB-UHFFFAOYSA-N 354.431 4.256 0 40 FIAB CC(C)n1c(SCCn2c(=O)oc3ccccc32)nc2ccccc21 40071071 NDKSMNSPAYJIAR-UHFFFAOYSA-N 353.447 4.317 0 40 FIAB CC[C@H](C(=O)Nc1nn2c(C3CCCCC3)nnc2s1)c1ccccc1 41108821 ATIFLHNYVKJWJX-HNNXBMFYSA-N 369.494 4.366 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1Cl 44103727 BTVFNUKTUDAYDO-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB CCOC(=O)c1c(NCc2ccc(Cl)cc2)c2cccc(C)c2[nH]c1=O 49001450 SFRWOCQWLLZOSM-UHFFFAOYSA-N 370.836 4.279 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)noc1C)c1nc2ccccc2[nH]1 54635671 LFLHPLQNTARSHE-CWTRNNRKSA-N 354.454 4.004 0 40 FIAB CC(C)N(C(=O)COc1ccc2c(c1)OC(C)(C)CC2=O)c1ccccc1 58378101 XMYDEIOEGFFLSF-UHFFFAOYSA-N 367.445 4.251 0 40 FIAB O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1ccccn1 61718905 BYHXQNMDQIIXQT-UHFFFAOYSA-N 372.453 4.366 0 40 FIAB CCCO[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 65550325 VNTZINZTVBOJDS-LBPRGKRZSA-N 352.887 4.428 0 40 FIAB C[C@@H](OC(=O)Cc1noc2ccccc12)c1nc2ccccc2n1C(F)F 71804480 OKYRNDKZSWICDJ-LLVKDONJSA-N 371.343 4.420 0 40 FIAB CN(Cc1cscn1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 71826975 KGRUNQOHJFJQCB-UHFFFAOYSA-N 360.442 4.026 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccco1 75106797 CSXPHXYIORGQMY-SFHVURJKSA-N 371.868 4.097 0 40 FIAB O=C(Nc1cccs1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165917 BNHJKWNVAUOELG-HUUCEWRRSA-N 359.451 4.430 0 40 FIAB COCCn1cc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c2ccccc21 83912153 MREIORXNKFKUAL-RCCFBDPRSA-N 354.494 4.376 0 40 FIAB COc1ccccc1-c1nc(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cs1 83982716 CTKCUOCDRATUEA-CVEARBPZSA-N 368.433 4.244 0 40 FIAB O=C(NCc1ccc(F)cc1)N(CCc1cccs1)Cc1ccoc1 90612438 PXNSPSPZSRYRHH-UHFFFAOYSA-N 358.438 4.435 0 40 FIAB CC[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccncc1 95961923 ZCNYZOFCIZIBQF-INIZCTEOSA-N 353.447 4.175 0 40 FIAB O=C(NC1CCCC1)N1CCS[C@H]1c1ccc(F)c(Br)c1 217645183 FXKCFTAVCRCHHA-AWEZNQCLSA-N 373.291 4.288 0 40 FIAB COCCCNC(=S)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223890700 QWAPHROEAXVRNW-UHFFFAOYSA-N 366.490 4.301 0 40 FIAB COc1cccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 224290022 WARHSIWZEQRTHC-UHFFFAOYSA-N 354.341 4.061 0 40 FIAB Cc1cccc(CN2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c1 224528054 RNLLIOCVBZFYEP-UHFFFAOYSA-N 370.924 4.219 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 225485105 GSOVODZTIIITSC-CQSZACIVSA-N 351.368 4.406 0 40 FIAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(C)cc3C)n2)c1 225814271 IJLHHHPRTQEXFM-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB C[C@@H](CCN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2)c1ccccc1 248080453 PJJFJMCYGGLNNR-AVRDEDQJSA-N 364.537 4.185 0 40 FIAB COc1ccc2c(Nc3ncc(C)s3)nc([C@H]3CCCNC3)cc2c1 257225596 FGXREQHZAXQAOH-ZDUSSCGKSA-N 354.479 4.219 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)S1 260755919 CGWOACRLYMMXIH-CDHQVMDDSA-N 360.486 4.462 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](n2cnc3ccccc32)C1 575617014 MGAATPYSZIPASY-INIZCTEOSA-N 373.378 4.071 0 40 FIAB Cc1cncc(CNC(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c1 677694726 KQKHDIQVFJJFDX-JOCHJYFZSA-N 357.457 4.247 0 40 FIAB CC(C)[C@H]1CCc2nc(NC(=O)c3c[nH]nc3-c3ccco3)sc2C1 1180109540 BXZAXVAMHCHCLE-NSHDSACASA-N 356.451 4.139 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 843804 YZIBVLGBTJZSEY-ZDUSSCGKSA-N 362.351 4.005 0 40 FIAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2Cl)o1)C(C)C 882325 UOPOVXFHNCKJNP-UHFFFAOYSA-N 353.875 4.128 0 40 FIAB CCCCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2207659 DKFAGAGTROCPSL-UHFFFAOYSA-N 366.465 4.456 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4cccc(O)c4)nn12)[C@@H](C)CCC3 2337421 YTLZLDBZHYXTRP-JTQLQIEISA-N 350.447 4.460 0 40 FIAB C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N(C)Cc1ccccc1 2648829 IFDLRNVIOGVINV-GOSISDBHSA-N 373.452 4.344 0 40 FIAB CCOc1ccc(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 2666996 JXADKRHJLQXCAF-CQSZACIVSA-N 367.704 4.356 0 40 FIAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccco1 3305347 FPCSTOKABRZNDB-FQEVSTJZSA-N 354.333 4.384 0 40 FIAB O=C(Nc1cccc(I)c1)c1ccc2ccccc2n1 3448976 GYCLZIURFRPSDC-UHFFFAOYSA-N 374.181 4.092 0 40 FIAB COc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl 3615700 MSVFRZOWSPHOIJ-INIZCTEOSA-N 361.825 4.159 0 40 FIAB O=C(NCc1ccco1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 4435236 NZURENPOHMCHIX-UHFFFAOYSA-N 367.276 4.115 0 40 FIAB COC(=O)c1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc12 4682229 ZPFCDUIXXUEBAV-UHFFFAOYSA-N 356.809 4.028 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c(C)c1 4898425 MFKPEPTVDSQOPI-QGZVFWFLSA-N 366.461 4.082 0 40 FIAB CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@@H](c2ccccc2)NC(=S)N1 4953336 VODXRTRGMDOUHD-QGZVFWFLSA-N 371.893 4.080 0 40 FIAB Clc1ccc(-c2nn3c(CN4CCCC4)nnc3c3ccccc23)cc1 5321492 IESRWYVRYLLYRZ-UHFFFAOYSA-N 363.852 4.194 0 40 FIAB Clc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1Cl 5577003 XIQNLINVHLOIAV-UHFFFAOYSA-N 362.245 4.005 0 40 FIAB CC(C)N(C(=O)CSc1nnc(-c2cccs2)o1)c1ccccc1 6358266 URIRVRFLDFLQCO-UHFFFAOYSA-N 359.476 4.332 0 40 FIAB CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 6415951 XFANMKKCJOJPLF-UHFFFAOYSA-N 363.382 4.108 0 40 FIAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F 6623195 FPQFUBCAVLJKRJ-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113341 ZBBMSJOXHGGMPC-INIZCTEOSA-N 350.340 4.214 0 40 FIAB Cc1csc(SCC(=O)N[C@@H](C)c2ccccc2Br)n1 7195461 IRMBDPKKHBDSLG-JTQLQIEISA-N 371.325 4.184 0 40 FIAB Cc1nc(SCC(=O)N[C@H](C)c2ccco2)c2c3c(sc2n1)CCC3 7480810 FJSIDGSAOVKUAN-SNVBAGLBSA-N 373.503 4.051 0 40 FIAB Cc1cc(OCC(=O)Oc2ccc(-c3nnco3)cc2)ccc1C(C)C 7780612 IHSTUMDKVAZJHA-UHFFFAOYSA-N 352.390 4.153 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1 7882468 GPJGBDOBCOJLBY-SFHVURJKSA-N 358.441 4.448 0 40 FIAB COc1ccc(CCN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1OC 8144287 DUBPLMJCUKIYGK-CQSZACIVSA-N 373.518 4.205 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1 8650136 SURNHXSSYOHBJK-UHFFFAOYSA-N 364.445 4.406 0 40 FIAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1 9204864 WVHXWFMNYPWIEC-UHFFFAOYSA-N 369.392 4.035 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2cccs2)n1 9385093 PUNZZUATYMKOSE-UHFFFAOYSA-N 373.459 4.091 0 40 FIAB Cc1cc(C)cc(-c2nnc(S[C@@H](C)C(=O)NC3CCCCC3)o2)c1 9691931 OWWFFZGVEIYJPZ-AWEZNQCLSA-N 359.495 4.283 0 40 FIAB O=C(NCCc1ccc(Br)s1)c1ccc2ncsc2c1 10821611 XVSHRCPTWILFOE-UHFFFAOYSA-N 367.293 4.093 0 40 FIAB Cc1ccc(C)c2c1C(=O)C(=O)N2CCCOc1ccc2ccccc2c1 11692645 PEFPQNFMNVHLJT-UHFFFAOYSA-N 359.425 4.455 0 40 FIAB CC(C)CCNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12922949 LQEXPWSCUPVEKD-UHFFFAOYSA-N 352.887 4.080 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2)cc1 12979148 KNAUPZTYFHTKJH-HNNXBMFYSA-N 366.490 4.184 0 40 FIAB Cc1ccccc1N1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 13071956 COWHCLBRIDISCW-VQHVLOKHSA-N 358.844 4.150 0 40 FIAB C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccs1 14123897 FHYMXDVHBCQHKL-CQSZACIVSA-N 372.490 4.469 0 40 FIAB C[C@@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)C(=O)Nc1ccccc1 14166259 FGXZWAFPGHICHK-CNELAYHGSA-N 368.437 4.234 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 14249892 WQWYVIXELUUEQX-MRXNPFEDSA-N 370.518 4.095 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCSc2ccc(F)cc21 15199657 YLVWEWBJKWRPDA-AWEZNQCLSA-N 351.830 4.455 0 40 FIAB C[C@@H](OC(=O)c1ccoc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 16157898 FADGVHIRARORSS-QGZVFWFLSA-N 363.413 4.054 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)c1nn2c(=O)c3ccccc3nc2s1 17073869 UPMQOHUJFCUXFM-JTQLQIEISA-N 357.822 4.098 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 18210588 YFPSEFOIZBUWGR-MRXNPFEDSA-N 370.518 4.429 0 40 FIAB COc1ccc([C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2c2cc[nH]n2)cc1 19557229 PIBRAUCGCLZXLE-ZWKOTPCHSA-N 369.415 4.080 0 40 FIAB O=C1OC(c2ccccc2)=NC1=C(Nc1ccccc1)Nc1ccccc1 19862538 TWLVULRXEPOJDH-UHFFFAOYSA-N 355.397 4.383 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(F)c(F)c1F 20030045 GKNCCDCQSJOKLI-UHFFFAOYSA-N 359.369 4.037 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1cccc(Cl)c1 21598598 ZRSLRWPHWGKUOM-LLVKDONJSA-N 361.854 4.262 0 40 FIAB Cc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 22913870 SISSTYWEWAWTRK-UHFFFAOYSA-N 370.496 4.483 0 40 FIAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1cccs1 23435198 URLPGZYEJZZIOJ-GFCCVEGCSA-N 359.882 4.446 0 40 FIAB C[C@@H](NCc1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 25356140 FGBMBYJJNUFPSZ-CQSZACIVSA-N 356.267 4.486 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCc1ccc(C(C)C)cc1 30866539 YMKXTQSLCAGZRN-OAQYLSRUSA-N 355.478 4.335 0 40 FIAB CNC(=O)c1ccc(C)c(NC(=O)/C=C/c2cccc(Cl)c2Cl)c1 32809968 PTEAVRQATUUEOC-CMDGGOBGSA-N 363.244 4.313 0 40 FIAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(F)cc3F)cc2)n1 32901996 IXGIIDOWQCBMKO-UHFFFAOYSA-N 361.373 4.201 0 40 FIAB COc1ccc(-n2nc(C)c3sc([C@@H]4CCC[C@H](C(=O)O)C4)nc32)cc1 32918832 IXVBQRMTQVQOBH-OLZOCXBDSA-N 371.462 4.157 0 40 FIAB O=C(NCc1nc2ccccc2s1)c1cc(-c2cccc(F)c2)no1 32922823 UUIMOKPQPKIABD-UHFFFAOYSA-N 353.378 4.020 0 40 FIAB Cc1cc(C)nc(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)n1 36394509 HXKQJWXREGGFEE-KRWDZBQOSA-N 361.486 4.228 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2F)cc1Cl 36621085 NJELNNUBNQSFQW-MRXNPFEDSA-N 369.845 4.014 0 40 FIAB COc1ccc(CN(C[C@H](O)c2ccccc2Cl)C2CC2)c(OC)c1 40105717 BTFNCFFZWYFVPD-IBGZPJMESA-N 361.869 4.055 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cc1 43492676 MWUTZSFDAHLUBB-GOSISDBHSA-N 364.470 4.219 0 40 FIAB Cc1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)c2ccc(F)cc2n1 57995648 BDLVLPWEUNQQIN-UHFFFAOYSA-N 374.419 4.488 0 40 FIAB Cc1noc(C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)n1 58179658 VTLNAJRMQZGSBS-UHFFFAOYSA-N 363.417 4.190 0 40 FIAB CC(=O)c1cccc(NC(=O)N2CCc3cc(Br)ccc32)c1 58300512 JINBZQSWDHKUPK-UHFFFAOYSA-N 359.223 4.246 0 40 FIAB CC(C)(NC(=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 60241392 YOVQRLXYYQGFKV-UHFFFAOYSA-N 351.324 4.099 0 40 FIAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1c1cccc2ccccc12 66321167 SSLDQSRNMZXLGP-JLMWRMLUSA-N 367.489 4.478 0 40 FIAB Cc1noc(C)c1CNc1cccc(CS(=O)(=O)C2CCCCC2)c1 69802338 XPIJTXWJGQBYID-UHFFFAOYSA-N 362.495 4.151 0 40 FIAB Cc1ccccc1-c1cncc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 72359441 AOLBXXFLOSWJJR-UHFFFAOYSA-N 371.484 4.401 0 40 FIAB CCCn1c(C)cc(C(=O)COC(=O)/C=C/SCc2ccco2)c1C 79110349 METHIVQJLDWHMU-JXMROGBWSA-N 361.463 4.281 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(-c2ccccc2)cn1 84012359 NUEFGSVBDXBLGZ-PKNBQFBNSA-N 352.825 4.096 0 40 FIAB O=C(N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cnn(-c2ccccc2F)c1 89821312 MWZCSMURFARLHU-QUCCMNQESA-N 371.456 4.012 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1ccoc1)Cc1cccs1 90612166 OTRHTEWGEMJCPJ-GQCTYLIASA-N 367.426 4.312 0 40 FIAB O=C(OCc1ccccc1)N1CCCC[C@@H]1COC(F)(F)C(F)(F)F 91252513 IQVLWCGOQKTESS-CYBMUJFWSA-N 367.314 4.349 0 40 FIAB COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3cccc(Cl)c3)C2)c1 96012479 JMXKJNVWDXOURG-IBGZPJMESA-N 358.825 4.055 0 40 FIAB O=C(Nc1ccccc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100789334 XGQJJHMAEVRMPC-VURPSTOHSA-N 351.494 4.114 0 40 FIAB biogenic COC(=O)c1ccc(OCc2ccccc2Cl)c(Br)c1 216818432 ADHKBHLJCJFWJA-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 222951062 VWNZKVRYWFZPAS-CQSZACIVSA-N 363.910 4.399 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3ccccc3Cl)n2)cc1 225815919 GTZOOVVRRQXXCT-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB CC(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 257257782 KRBCCUOSZQJWSX-UHFFFAOYSA-N 366.505 4.432 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1 325119134 RPYKMJMYNVUMNP-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1F 408616401 YPNIFXDEITXOJK-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CCC[C@H](C)NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674990 FRXDGKFSZKQDRN-AWEZNQCLSA-N 352.409 4.233 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)c1 408706742 CYBFNGYMIAJKNQ-WWDZGPRUSA-N 356.510 4.069 0 40 FIAB CC(C)c1ccc(NC(=O)CSc2ccc3nnc(C(C)C)n3n2)cc1 524732704 LHOZPZUVGUJOBH-UHFFFAOYSA-N 369.494 4.102 0 40 FIAB CSc1ccccc1C(=O)NCCn1nc(C)c(-c2cccs2)c1C 575612528 GRQLHAVOCRDANM-UHFFFAOYSA-N 371.531 4.380 0 40 FIAB CN(C)[C@H](CNC(=O)c1nc2ccccc2s1)c1cc2ccccc2o1 575618675 AWDHGVAYLARJQU-OAHLLOKOSA-N 365.458 4.075 0 40 FIAB O=C1COc2c(NCCCOc3ccc(Cl)cc3)cc(Cl)cc2N1 576979086 JUUXTYPOBMENFW-UHFFFAOYSA-N 367.232 4.205 0 40 FIAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cc2ncccn2n1 643920871 GTNBQCCEPJPEDW-CQSZACIVSA-N 364.449 4.061 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)Nc2cn(C)nc2-c2ccccc2)o1 679438346 UTILYDIJTQAZLO-KRWDZBQOSA-N 350.422 4.358 0 40 FIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 1615546984 RBOOLDAVAHSLHP-UHFFFAOYSA-N 363.479 4.327 0 40 FIAB Fc1cccc(Cl)c1Cc1nn2c(Cc3ccccc3)nnc2s1 632780 ZOEKXZDCIKGXHD-UHFFFAOYSA-N 358.829 4.160 0 40 FIAB O=C(Oc1ccc(OC(=O)c2cccc(F)c2)cc1)c1cccc(F)c1 682393 KNQKTHZCRBFQNG-UHFFFAOYSA-N 354.308 4.403 0 40 FIAB Cc1cccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1C 728979 OELRGCVHRLKYHN-UHFFFAOYSA-N 364.474 4.414 0 40 FIAB COC(=O)c1ccc(NC(=O)NC(=S)c2cccc3ccccc23)cc1 1096152 CBTWQNGQEPOETF-UHFFFAOYSA-N 364.426 4.124 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CC[C@@H](C)C2 1930451 FVIYLBUYORQGBV-GCZGVDRJSA-N 373.449 4.451 0 40 FIAB Cc1ccc(NC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)cc1 2251095 KKHMYSNPVOFERE-UHFFFAOYSA-N 351.402 4.044 0 40 FIAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc2c(c1)OCCO2 2483656 PQDCHERGUANHJB-UHFFFAOYSA-N 362.410 4.473 0 40 FIAB CCn1ccc(CN(C)C(=O)c2ccc(COc3ccccc3Cl)o2)n1 2796273 AIWJDVBAVHTIIG-UHFFFAOYSA-N 373.840 4.001 0 40 FIAB CC[C@H](C(=O)OCC(=O)c1ccc(Br)s1)c1ccccc1 3341882 ZFBJKFOMJBTSPE-LBPRGKRZSA-N 367.264 4.430 0 40 FIAB Cc1cccc(N2CCN(C(=O)Cc3coc4cc(C)ccc34)C[C@@H]2C)c1 3413540 FNJHBBSRKSNDAT-SFHVURJKSA-N 362.473 4.329 0 40 FIAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCCO2 3503896 PGNRAIRMIGYEIL-NSHDSACASA-N 372.471 4.187 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1Cl 3558533 YSTHGHNHORDECO-UHFFFAOYSA-N 357.793 4.081 0 40 FIAB CCOC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc(C)c1C 3893408 DTULRYVKVPDPQE-UHFFFAOYSA-N 360.460 4.404 0 40 FIAB Cc1cc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c2cc1C 4231053 OXDKNMZZJBXEOY-UHFFFAOYSA-N 364.445 4.323 0 40 FIAB Cc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O 4320276 YRACKUQUTDCSKZ-UHFFFAOYSA-N 355.397 4.151 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2ccc(-c3ccco3)nn2)c(C)c1 4357748 ICQPQYIZNIFOMQ-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB COc1ccc(-c2cnc(NCc3cccc(Br)c3)n2C)cc1 4678623 AOYDHLQHLYTJCY-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1CCO 4731421 OQOYAZZPUVJJLX-HSZRJFAPSA-N 368.436 4.372 0 40 FIAB O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)c1cc(Cl)ccc1Cl 4850558 JBBUWVCPXFEQLR-UHFFFAOYSA-N 361.228 4.081 0 40 FIAB COc1ccc(OC)c(NC(=S)NCCc2c(C)[nH]c3ccccc23)c1 4904780 MUJWIODXCBKXSK-UHFFFAOYSA-N 369.490 4.023 0 40 FIAB CSc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 5176705 BFZAORNMSTXTEO-IWGBCORSSA-N 350.487 4.046 0 40 FIAB CCn1c(=O)c(C(=O)Nc2ccccc2-c2ccccc2)cc2cccnc21 5304058 PFYYVMRDYQSMJL-UHFFFAOYSA-N 369.424 4.336 0 40 FIAB CCOc1c(-c2ccc(OC)c(OC)c2)oc2cc(C)c(C)cc2c1=O 5580411 KRQAACYQNDZHGQ-UHFFFAOYSA-N 354.402 4.493 0 40 FIAB COC(=O)c1cc(COC(=O)Cc2coc3cc(C)c(C)cc23)oc1C 5628061 XXCGAVQGNXWZEA-UHFFFAOYSA-N 356.374 4.024 0 40 FIAB CC(=O)c1ccc(NCC(=O)NC(c2ccccc2)c2ccccc2)cc1 5689619 NAQYEBJEFKXTHR-UHFFFAOYSA-N 358.441 4.207 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980763 YMSUSMNMWFPGOV-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 6747697 CTSKAMIXZITUFR-UHFFFAOYSA-N 371.824 4.333 0 40 FIAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 6779547 KPFVHZNBFGHUGF-SFHVURJKSA-N 364.470 4.036 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1 6811305 DDLXTWLKHGJTPF-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB CCCOc1ccc(C(=O)Nc2c(NCC)c3ccccc3oc2=O)cc1 6823344 TTWPNIZFFHSNJD-UHFFFAOYSA-N 366.417 4.266 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 6965997 VLCZFDPGNRVEJH-UHFFFAOYSA-N 367.518 4.108 0 40 FIAB CC(C)Cn1c(SCC(=O)NCc2ccccc2F)nc2ccccc21 7030280 MNTFYISABXMPMK-UHFFFAOYSA-N 371.481 4.240 0 40 FIAB Cc1ccc(Oc2ccccc2NS(=O)(=O)c2c(C)noc2C)cc1 7051279 MTQRYPCPCYUTKE-UHFFFAOYSA-N 358.419 4.193 0 40 FIAB C[C@H](NS(=O)(=O)c1ccccc1Br)c1cccc(Cl)c1 7305292 HOLQKFKEYXRYJB-JTQLQIEISA-N 374.687 4.142 0 40 FIAB Cc1ccc(-c2noc(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 7605037 KWNBWZGQTGJROL-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc4ccccc4c3)CC2=O)cc1 7653983 FNLDXWCGTSUTCT-HXUWFJFHSA-N 358.441 4.135 0 40 FIAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 7759729 UCCVFHYETOSWMI-UHFFFAOYSA-N 371.824 4.061 0 40 FIAB Fc1ccccc1OCCSc1ncnc2c1cnn2-c1ccccc1 7982087 QEDNJQWXUQSUNM-UHFFFAOYSA-N 366.421 4.126 0 40 FIAB Cc1ccccc1OCC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 8130839 NNPVDXSAZKMYKK-JOCHJYFZSA-N 369.461 4.049 0 40 FIAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1 8156346 KWPGRYDQBIIDEW-UHFFFAOYSA-N 355.777 4.016 0 40 FIAB Cc1nn(C)c(C)c1/C=C/C(=O)OCc1nc2ccccc2c(C)c1Cl 8332244 ZJIXNBZBGFSEKF-MDZDMXLPSA-N 369.852 4.304 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc(Br)c1 8478360 IGWSJGQPKFHDKI-CQSZACIVSA-N 352.203 4.384 0 40 FIAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1Cl 8707112 MQEDHOUKJKLYMW-SECBINFHSA-N 353.205 4.161 0 40 FIAB Cc1ccc(-c2csc(NC(=O)CCCn3c(C)csc3=O)n2)cc1 8981724 MJGKPLPHMUYULA-UHFFFAOYSA-N 373.503 4.069 0 40 FIAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C(C)C)cc1 9463179 BFSJKUJXRYTWCR-UHFFFAOYSA-N 364.445 4.034 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 9888655 QTOATLXQMTXJDS-UHFFFAOYSA-N 366.505 4.098 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 9992247 CNLVOZDGUJBERE-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB COc1cc(/C=C/C(=O)N2CCc3sccc3C2)cc(Cl)c1OC 10922800 AIMVYVLAWKXAGT-ONEGZZNKSA-N 363.866 4.017 0 40 FIAB Cc1cc(C)c2c(N)c(-c3cc(=O)oc4cc(C)c(O)cc34)sc2n1 11865328 XHIQLDQVXAHGDK-UHFFFAOYSA-N 352.415 4.283 0 40 FIAB biogenic CCOCCCNc1c(C)c(C)nc2c(-c3ccc(OC)cc3)c(C)nn12 12113357 WQJVWURETPHDDW-UHFFFAOYSA-N 368.481 4.169 0 40 FIAB CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)[nH]n1 12116196 VODUYPXSDCRTJT-ZXFUBFMLSA-N 355.457 4.397 0 40 FIAB CCn1/c(=N\C(=O)c2ccc(N(C)C)cc2)sc2cc(Cl)ccc21 12180835 BKYAFNICCZFRSI-CZIZESTLSA-N 359.882 4.183 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(-c2ccccc2)cc1 12683498 XVYMUVKAVZTXEI-UHFFFAOYSA-N 354.409 4.419 0 40 FIAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C)cc1)O[C@@H](C)C2 12811417 QAYZWAFBEKPOSY-LSDHHAIUSA-N 354.450 4.156 0 40 FIAB CN(Cc1ccccc1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12870635 XDAAJXMACQGZIO-UHFFFAOYSA-N 371.868 4.030 0 40 FIAB C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 12918252 PUCCKHQLFBKERQ-LLVKDONJSA-N 366.244 4.185 0 40 FIAB O=C(NCC1(c2cccs2)CCCC1)C1(c2ccccc2)CCOCC1 13803247 LBCFHQUQICQDSW-UHFFFAOYSA-N 369.530 4.425 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1ccccc1C(=O)N1CCCC1 13995878 HJEUIUDLUKVCGF-UHFFFAOYSA-N 374.440 4.093 0 40 FIAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N(Cc1ccccc1)c1ccccn1 14119323 OAIOJKYGDTZSSU-LJQANCHMSA-N 364.832 4.272 0 40 FIAB CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2OC)cc1OC 15653933 QKIOLHANYXFXPB-UHFFFAOYSA-N 365.813 4.017 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccc(C)c2)c(OC)c1 15830652 UXJOUDVJQBESHO-JTPHSUOKSA-N 351.446 4.389 0 40 FIAB Cc1cc(=O)n2c(n1)SC[C@@H](Sc1ccccc1)[C@@H]2c1ccccc1 16779225 HGXZWQHZFSDANB-MJGOQNOKSA-N 366.511 4.408 0 40 FIAB COc1ccc(N2CCn3c(SCc4ccccc4Cl)nnc32)cc1 16954026 ARSZKMBCBDLJTJ-UHFFFAOYSA-N 372.881 4.384 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)CC2CCN(C(=O)C(C)C)CC2)cc1C 19748186 PGKSERZXRBUNQB-NRFANRHFSA-N 370.537 4.252 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1 20481534 YBELHFPKHBCIJJ-SFHVURJKSA-N 355.478 4.483 0 40 FIAB CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 22931812 MDFJGFSMTZUUKP-JOCHJYFZSA-N 360.505 4.116 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Sc2ccccc2)c(OC)cc1Cl 23996014 LESBNXLPNIWZCJ-LLVKDONJSA-N 351.855 4.477 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1Cl 30331749 SAJNXWNYNVHXOV-MRXNPFEDSA-N 369.845 4.014 0 40 FIAB O=C(CSCc1ccc(F)cc1)NCCCc1ccc(Cl)cc1 30758193 MFPCWSBHLHWCMZ-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB C[C@H](NC(=O)c1ccccc1OCc1ccncc1)c1ccccc1F 32083932 HIVUSRICLLNTQR-HNNXBMFYSA-N 350.393 4.291 0 40 FIAB COc1ccc([C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C2CC2)cc1 40062290 LPCWJHDXCFSRSR-HXUWFJFHSA-N 350.418 4.066 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c(C)s1 40074240 IYIRKOBKIUVYLH-DNVCBOLYSA-N 372.534 4.305 0 40 FIAB Cc1[nH]c2c(C(=O)Nc3ccc(F)c(N4CCCC4=O)c3)cccc2c1C 40094647 HFRGBQLQQHGMHQ-UHFFFAOYSA-N 365.408 4.303 0 40 FIAB CCOc1ccc([C@H]2CCCN2Cc2nc(Cc3ccccc3)no2)cc1 40118763 YPNYIYPQMZWZMV-HXUWFJFHSA-N 363.461 4.396 0 40 FIAB Cc1sc2ncnc(SCCC(=O)N(C)Cc3ccccc3)c2c1C 40267707 ZZLLFJCQFGQYIH-UHFFFAOYSA-N 371.531 4.449 0 40 FIAB Cc1c(NC(=O)CC(C)(C)CC(=O)O)cccc1NC(=O)c1ccccc1 55150961 VSYFYUIWEHSHIE-UHFFFAOYSA-N 368.433 4.077 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1NCc1cnc(-c2ccccc2)s1 75103463 CVFUNXCJJMJOTH-UHFFFAOYSA-N 351.475 4.432 0 40 FIAB CC(C)n1cc(CC(=O)NCCc2nc3ccccc3n2C)c2ccccc21 79481130 XVIVFNZDMGOTNT-UHFFFAOYSA-N 374.488 4.010 0 40 FIAB CC(C)Cc1nc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)cs1 84713540 LGJORDVBTVNMIU-GASCZTMLSA-N 373.522 4.208 0 40 FIAB Cc1nc(C(=O)NCCc2nccs2)c(-c2ccccc2Cl)s1 95478919 JBPZQMYAFFAHHQ-UHFFFAOYSA-N 363.895 4.201 0 40 FIAB COc1ccc(C(=O)Nc2c(C)cnn2-c2ccccc2)cc1OC(F)F 95964537 UUBQJDUDYMIBCW-UHFFFAOYSA-N 373.359 4.043 0 40 FIAB CN1C(=O)c2cc(NC(=O)c3ccsc3)ccc2Sc2ncccc21 96231598 IATMKLVQUOWPEQ-UHFFFAOYSA-N 367.455 4.137 0 40 FIAB O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2ccsc2)s1 98001827 RQOMVVNIFZCHOC-MDWZMJQESA-N 361.879 4.267 0 40 FIAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cl)cc1Cl 102179032 HTTPRUSVTODKIG-SDDRHHMPSA-N 356.249 4.301 0 40 FIAB CSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1=C(O)CC(C)(C)CC1=N2 102672219 SFSVDKIHMOMHBY-HNNXBMFYSA-N 356.451 4.013 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cccc(OC(F)(F)F)c1 102893663 WNTMKUQZDNGTNW-LGBHXNNWSA-N 369.383 4.245 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 222822141 RHUOCUZJJXBPSY-ROUUACIJSA-N 367.489 4.225 0 40 FIAB CSc1ccc(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 223440875 CKXACLMTFIHWDF-NSHDSACASA-N 353.896 4.202 0 40 FIAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2Cl)cc1 225264106 KUTNYXXJUXZANT-LBPRGKRZSA-N 350.871 4.103 0 40 FIAB CC[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 225482054 UDBVZBVNNVBJRK-GOSISDBHSA-N 353.491 4.251 0 40 FIAB Cc1ccc2oc(C(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)cc2n1 329517493 PJPQGEIZYNZOIY-MRXNPFEDSA-N 364.449 4.255 0 40 FIAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 408621938 MXIMIKXAHPZQMR-UHFFFAOYSA-N 371.651 4.177 0 40 FIAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C 408709447 TWGKMYKBIAPXLN-UHFFFAOYSA-N 368.477 4.026 0 40 FIAB Cc1ccc2cc(C(=O)CCC(=O)Nc3ccc(C(=O)O)cc3)ccc2c1 408826776 KTGNYUKXASGLKV-UHFFFAOYSA-N 361.397 4.448 0 40 FIAB Cc1[nH]nc2ncc(NC(=O)[C@@H](Oc3ccccc3)c3ccccc3)cc12 516780730 DQFSAIUPSZTBJH-IBGZPJMESA-N 358.401 4.025 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)s1 575619808 MEWGRMOFXLKSPR-UHFFFAOYSA-N 373.503 4.057 0 40 FIAB C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccccc1COc1ccccc1 579477653 IQWSFKVOELCWRY-GOSISDBHSA-N 366.505 4.068 0 40 FIAB O=C(c1ccc(-c2cccc(Cl)c2)s1)N1CCC[C@@]2(CCNC2)C1 585089113 AUPBNVOFCISKPO-IBGZPJMESA-N 360.910 4.284 0 40 FIAB Cc1cc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c2c(C)noc2n1 591254965 RBSPEFFSTUHQSR-UHFFFAOYSA-N 371.387 4.138 0 40 FIAB Cc1csc([C@H](C)NC(=O)NCc2ccccc2CC(F)(F)F)n1 623558165 RPYIUOAXSUZXQK-NSHDSACASA-N 357.401 4.117 0 40 FIAB Cc1c(F)ccc2c1N(C(=O)c1cc(O)nc3cc(F)ccc13)CCC2 1129808395 SJOMUCXAEWSRCC-UHFFFAOYSA-N 354.356 4.120 0 40 FIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc2cccnc12 1616026736 MEZVEOPMJFWICA-UHFFFAOYSA-N 370.474 4.476 0 40 FIAB O=C(c1ccc2cccnc2c1)N1CCO[C@H](c2ccccc2Cl)C1 1628739944 LCKGQOJRERKSPN-IBGZPJMESA-N 352.821 4.102 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)/C=C/c3ccccc3Cl)cc2)cn1 1889299302 OQGYGFPTNPMKAM-ZHACJKMWSA-N 365.864 4.113 0 40 FIAB CC(C)(C)c1cc(C(=O)Nc2ccccn2)n(Cc2ccc(F)cc2)n1 2037846702 VYCMFMXWSXMOGB-UHFFFAOYSA-N 352.413 4.015 0 40 FIAB CC[C@H]1CCc2c(sc(NC(=O)COc3ccccc3)c2C(=O)OC)C1 669292 HRFCWSHIIXXGKY-ZDUSSCGKSA-N 373.474 4.067 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)c(OC)c1 936312 UDPIOZYBDUONEH-NTUHNPAUSA-N 366.461 4.346 0 40 FIAB CCOc1ccc2[nH]/c(=N\C(=O)c3ccc(OC(C)C)cc3)sc2c1 1314000 PNPBFUOEQOVCDU-UHFFFAOYSA-N 356.447 4.156 0 40 FIAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 1380671 OOMRLRDQMPXJCE-UHFFFAOYSA-N 369.856 4.262 0 40 FIAB CC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O 2110763 GBOBWLUFIBYMHX-WMLDXEAASA-N 365.477 4.497 0 40 FIAB biogenic COc1ccc(-c2nc(-c3cc4ccc(O)cc4oc3=O)cs2)cc1 2195116 AZSFLDOKLAAQJP-UHFFFAOYSA-N 351.383 4.298 0 40 FIAB Cc1cccc(C)c1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 2725272 LESHROZHNPIPKP-UHFFFAOYSA-N 352.312 4.112 0 40 FIAB CC[C@H](C)c1ccc([C@H](CC)NS(=O)(=O)c2cnn(CC)c2C)cc1 2804391 YMGVURIVHPCKJU-KSSFIOAISA-N 363.527 4.155 0 40 FIAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1 3312427 MUZICRWAGMBIPK-MRXNPFEDSA-N 369.436 4.058 0 40 FIAB COc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1 3908356 XYPFUCMRLGNLML-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB O=C(N1CCN=C1SCc1ccccc1)C12CC3CC(CC(C3)C1)C2 4119792 XBTYJOWOKFWKEK-UHFFFAOYSA-N 354.519 4.334 0 40 FIAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1 4120061 QXHFDTRUCNYXMY-UHFFFAOYSA-N 374.893 4.484 0 40 FIAB COCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccccc2C)s1 4982443 WBXXUDJEHPLGLR-UHFFFAOYSA-N 367.474 4.115 0 40 FIAB Cc1nnc(NC(=O)CCSCc2ccc(Cl)c(Cl)c2)s1 4983136 MCIJEFUTZXHXKC-UHFFFAOYSA-N 362.307 4.415 0 40 FIAB Fc1cccc(Cl)c1CSc1nnc2ccc(-c3ccccn3)nn12 5168384 YZQNELKVOFICMF-UHFFFAOYSA-N 371.828 4.271 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc2ccccc2o1 6060991 BKBFQMNSRMCPKG-LSDHHAIUSA-N 354.475 4.446 0 40 FIAB Cc1ccccc1[C@H](OC[C@@H](O)CN1CCC[C@H](C)C1)c1ccccc1 6451863 XDHLIZFUNBHEKF-AVCGJXAMSA-N 353.506 4.194 0 40 FIAB Cc1ccc2sc(NC(=O)c3cc(=O)c4ccccc4o3)nc2c1C 6478530 SUGYBOICQSSNKE-UHFFFAOYSA-N 350.399 4.272 0 40 FIAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(-c2ccccc2F)o1 6604851 ZZAIBMXYUNCJFO-UHFFFAOYSA-N 364.376 4.230 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Cl)nc1 6628159 YXVHBLNZGLASLV-UHFFFAOYSA-N 362.867 4.131 0 40 FIAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCc4ccccc43)ccc21 6881805 DNPVECJXKXLBBV-QFIPXVFZSA-N 369.420 4.344 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2Br)c(C)c1 6964517 JQLXDAVOWVUHIS-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB COc1cccc(OC)c1C(=O)OCC(=O)c1ccc(Cl)cc1Cl 7184164 KELCXNHEEPBNIV-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccco3)sc2c1 7424672 SAGRJZZCYPEVPH-UHFFFAOYSA-N 366.446 4.131 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)c1C 7610036 FETBQMFAAFKKIQ-UHFFFAOYSA-N 368.502 4.270 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(C)c2C)CC1=O 7928215 UZBBTCSCHRRHEV-LJQANCHMSA-N 364.489 4.420 0 40 FIAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 8382847 MRXFYTYAGLASRU-UHFFFAOYSA-N 350.871 4.430 0 40 FIAB CCNC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(C)C)cc3)c2C)C1 8636070 QKXZFPFCHAMCDS-RTBURBONSA-N 366.509 4.344 0 40 FIAB biogenic,in-vitro C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Cl)cc1 9390162 SRGYDPYZRXFHMV-CYBMUJFWSA-N 355.829 4.146 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccco1 9883593 AFGUOSMULMIEOW-VBKZILBWSA-N 361.397 4.225 0 40 FIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccccc3OC(F)F)ccc2o1 12517272 RHMYRGWZJOUFML-JTQLQIEISA-N 361.348 4.177 0 40 FIAB COc1ccc(OCCN(C)Cc2csc(Nc3ccccc3)n2)cc1 12595667 UOXNLZPGSVYMDZ-UHFFFAOYSA-N 369.490 4.406 0 40 FIAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccccc2OC)cc1OC 12807289 HLCKKKNWSIYWBM-MDZDMXLPSA-N 361.825 4.408 0 40 FIAB CCc1cccc(N2C[C@@H](C(=O)Nc3c(C)cccc3CC)CC2=O)c1 12823625 LVNPYNTUEROSQH-SFHVURJKSA-N 350.462 4.111 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 12906874 GSYAKCQAZXDDBU-UHFFFAOYSA-N 354.494 4.370 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cc3cc(C)ccc3nc2C)nc1C 12923415 ZTDNUBKBMJSRAR-UHFFFAOYSA-N 369.446 4.046 0 40 FIAB CC(C)[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1 13109493 ZNYKMKWDYPZGEJ-CQSZACIVSA-N 374.868 4.132 0 40 FIAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)n1 13228240 BQZDCQDOTLDXED-FQEVSTJZSA-N 368.392 4.246 0 40 FIAB Cc1cc(CSc2nc3sccc3c(=O)n2-c2ccccc2)on1 14182385 NIWFKPPQLYQOLT-UHFFFAOYSA-N 355.444 4.036 0 40 FIAB CCN(Cc1ccccc1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 14186136 MUDNVIWLKUCSRI-UHFFFAOYSA-N 363.461 4.093 0 40 FIAB CC(C)c1cc(Br)ccc1OCC(=O)Nc1nccs1 14831744 NKMJQBDTNBHSKY-UHFFFAOYSA-N 355.257 4.047 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)CSc2ccccc21 18116156 VRHFLJVJEWALIS-UHFFFAOYSA-N 354.475 4.196 0 40 FIAB CC(C)c1nccn1CCC(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19454499 MTIHHIXXDLWOPI-WKDRNLAYSA-N 365.521 4.485 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1ccnc1 20459397 FIBRVRVOBHYQPK-KRWDZBQOSA-N 371.440 4.109 0 40 FIAB COc1ccc(NC(=O)c2csc(Nc3ccccc3)n2)cc1OC 23136789 RNSYDLWBEMJUJB-UHFFFAOYSA-N 355.419 4.156 0 40 FIAB C[C@@H]1CCCCN1CCCNc1nc(-c2ccncc2)nc2ccccc12 24102868 ZOPIEBLDHXABNY-QGZVFWFLSA-N 361.493 4.368 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)cc1F 27978641 CQMQXUYHKYNFIZ-CQSZACIVSA-N 351.761 4.004 0 40 FIAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)[C@H]1C[C@H]1c1ccccc1 28245951 OFQKQDQIDHUMIR-VXKWHMMOSA-N 364.489 4.294 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 30867174 GUGAKZXLKDQVEZ-AEFFLSMTSA-N 371.477 4.355 0 40 FIAB CCC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 40023932 FAFBLKUXBPFABZ-MRXNPFEDSA-N 358.438 4.375 0 40 FIAB CSc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 40104741 MYQPDZRPPCNGFD-UHFFFAOYSA-N 369.490 4.421 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)ccc21 40144424 ZUYUUQUZWYRZQS-CYBMUJFWSA-N 372.415 4.097 0 40 FIAB O=C(NCc1ccsc1-n1cccc1)C1(c2ccc(F)cc2)CCC1 40155029 KLAWUIBLWZYRTF-UHFFFAOYSA-N 354.450 4.416 0 40 FIAB Cc1cc(OCC(=O)NCCOc2ccc(Cl)cc2)cc(C)c1Cl 41157541 NRDSPHLXRXWOEC-UHFFFAOYSA-N 368.260 4.184 0 40 FIAB CCc1ccccc1NC(=O)COc1cc(C)nc(-c2ccc(F)cc2)n1 49006914 ADNCXVSIJAVWAC-UHFFFAOYSA-N 365.408 4.171 0 40 FIAB Cc1ccc(NC(=O)c2cn3c(C)cccc3n2)c(OCC(F)(F)F)c1 56313134 YUMAZYRLNVFHSP-UHFFFAOYSA-N 363.339 4.145 0 40 FIAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)c1ccc[nH]c1=S 57112704 CPWXABVEZBOKGH-MRXNPFEDSA-N 358.463 4.082 0 40 FIAB O=S(=O)(c1csc(-c2ccc(F)cc2)n1)N1CC[C@H]1c1ccccc1 58412853 SWOPVDBBRJUDOC-INIZCTEOSA-N 374.462 4.085 0 40 FIAB C[C@H]1CN(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C[C@H](C)O1 60368537 UNPMEYMQKWGFIN-HOTGVXAUSA-N 370.459 4.027 0 40 FIAB Cc1cc(Cl)ccc1NC(=S)Nc1ccc(N2CCOCC2)cc1 71760665 JHDATRKSHGAFGB-UHFFFAOYSA-N 361.898 4.294 0 40 FIAB COC(=O)c1ccc(NC(=O)c2occc2COc2ccccc2)c(F)c1 72271976 GYVDKZSGCYVJLP-UHFFFAOYSA-N 369.348 4.037 0 40 FIAB COc1ccccc1-c1cccc([C@H]2CCCN(C3CCOCC3)C2)n1 72350077 PIZRGAROLMUFNT-KRWDZBQOSA-N 352.478 4.116 0 40 FIAB Cc1ccc(NC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 95349985 ZOGYECKZENYPSF-UHFFFAOYSA-N 361.848 4.137 0 40 FIAB CCOc1ccc(C2(CNC(=O)N3[C@H](C)CCC[C@H]3C)CCOCC2)cc1 95984098 WMAJQVPUBUPXDR-QZTJIDSGSA-N 374.525 4.106 0 40 FIAB COc1ccc(CN(CC(=O)Nc2ccccc2F)[C@H](C)C2CC2)cc1 96981758 MWUWQSWAMAJVHE-OAHLLOKOSA-N 356.441 4.074 0 40 FIAB COc1ccc(CN(Cc2cccnc2)C(=O)C2[C@@H]3CCCC[C@@H]23)cc1 100731439 JYPSDDOCUHUUOY-WOJBJXKFSA-N 350.462 4.055 0 40 FIAB CCn1/c(=N/C(=O)c2cc(C)ccc2C)sc2c(OC)ccc(OC)c21 100909149 UDGBOJZIEHHSJR-MRCUWXFGSA-N 370.474 4.098 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)n1cc(CO)c2ccccc21 216748858 ZSQIXISCVGXVLB-UHFFFAOYSA-N 350.201 4.160 0 40 FIAB CCCOc1ccccc1CCCNC(=O)COc1ccccc1Cl 218849554 VNIODXMBAHVOOF-UHFFFAOYSA-N 361.869 4.257 0 40 FIAB O=C(c1ccc2nsnc2c1)N1CCS[C@H](c2ccccc2F)CC1 219112502 FXSIEJXKGOCMMQ-KRWDZBQOSA-N 373.478 4.151 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1C 224820344 XFUFFRXGQSOMSE-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3)o2)cc1 224857203 SMRXSQZZUMIWKG-UHFFFAOYSA-N 354.381 4.451 0 40 FIAB C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H](n2ccnn2)CC1 639816319 DJFFQFZGCZFPLB-WMLDXEAASA-N 371.872 4.375 0 40 FIAB O=C(CC[C@@H]1CCCO1)N1CCCCCCCc2ccccc2OCC1 643584497 OSDNEYNPJXPGGU-FQEVSTJZSA-N 359.510 4.360 0 40 FIAB COCC[C@@H](Nc1ncnc2onc(C)c12)c1ccc(Cl)c(Cl)c1 672295330 GMWZMMOXGJLOJI-CYBMUJFWSA-N 367.236 4.423 0 40 FIAB Cc1cncc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1 1615156112 KAYQQPRBZNNKAJ-XLIONFOSSA-N 367.468 4.049 0 40 FIAB O=C(N1CC2(CC(c3ccccc3)C2)C1)C1(c2ccccc2)CCOCC1 1775971044 VBWXHJOUZSXRTG-UHFFFAOYSA-N 361.485 4.141 0 40 FIAB CN(c1ccccn1)C1CCN(Cc2csc(-c3ccccc3)n2)CC1 2086889424 WLEFGQFWDBUJNR-UHFFFAOYSA-N 364.518 4.306 0 40 FIAB Cc1ccc(NC(=O)CCSc2nnc(-c3ccc(C)cc3)o2)cc1 645145 RQAJTAYMSXKNAO-UHFFFAOYSA-N 353.447 4.474 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)c1 717184 RRIGGDRHANRTKC-SFHVURJKSA-N 350.462 4.418 0 40 FIAB CC(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 1424700 BUQILGOZIRIVFA-UHFFFAOYSA-N 362.260 4.070 0 40 FIAB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccccc2)cc1 1510479 KFXNRGOZFJCVQR-QHCPKHFHSA-N 370.452 4.487 0 40 FIAB Clc1cccc(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)c1 2425761 CGKMAWYPHFPANN-UHFFFAOYSA-N 352.829 4.164 0 40 FIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1 2723027 CKQPOXKLBLWGOP-UHFFFAOYSA-N 359.401 4.190 0 40 FIAB O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1ccccc1 3137046 DBBPIJGRBXCZGN-UHFFFAOYSA-N 351.471 4.187 0 40 FIAB CC(C)(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3293892 BBNGVJCBQKXWMJ-UHFFFAOYSA-N 369.465 4.443 0 40 FIAB CCCCN(CCCC)C[C@H](O)COc1ccc(Br)cc1 3401564 DHAMFUBSTHXWDX-INIZCTEOSA-N 358.320 4.091 0 40 FIAB O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 3440430 GVTWDRBTPLGLNR-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB COc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)cc(OC)c1C 3452274 VPCYKAWPGWDRIE-UHFFFAOYSA-N 353.374 4.024 0 40 FIAB CCn1cc(SCC(=O)Nc2cc(OC)ccc2OC)c2ccccc21 4060557 HFUKBEPZKHBNHF-UHFFFAOYSA-N 370.474 4.409 0 40 FIAB COc1ccccc1C(=O)N1CCN=C1SCc1ccccc1Cl 4120257 GIYACWQISPBPIJ-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB Cc1cc(C)c2nc(NC(=O)c3coc4ccccc4c3=O)sc2c1 4194643 SBVIMSXGLQUMAS-UHFFFAOYSA-N 350.399 4.272 0 40 FIAB COc1ccc(-c2nc(S)c3c(n2)Oc2c(cccc2OC)C3)cc1 4315655 JKPMBOSQWBUSOS-UHFFFAOYSA-N 352.415 4.146 0 40 FIAB CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 4402382 ZWJOPARHMLJVSM-UHFFFAOYSA-N 372.380 4.238 0 40 FIAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O 4470641 LANVUXPDLOQIJX-NTEUORMPSA-N 372.471 4.040 0 40 FIAB CCc1ccc(C2=N/C(=C\c3cn(C(C)=O)c4ccccc34)C(=O)O2)cc1 5178266 DNKSKOICRPWLON-UNOMPAQXSA-N 358.397 4.208 0 40 FIAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)cc2)cc1 5256169 HNYGEUHVJKOUTQ-NRFANRHFSA-N 361.445 4.442 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2nc3c(SC)cccc3s2)c1 5299222 SRJLSDLEENWUDE-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB O=C(CSc1ccc2ccccc2n1)NC12CC3CC(CC(C3)C1)C2 5627348 ZIXSOMTZKGMLDQ-UHFFFAOYSA-N 352.503 4.412 0 40 FIAB CCc1cc2c(cc1OC(C)C)OC[C@@H](c1cccc3c1OCCO3)C2=O 5719350 QCDLNGTUPPJPBD-KRWDZBQOSA-N 368.429 4.166 0 40 FIAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1 5842087 LLSVHLKJVSTBGP-UHFFFAOYSA-N 361.239 4.296 0 40 FIAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 6067133 MHWUMZUIMRPPKU-QGZVFWFLSA-N 366.486 4.176 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(F)cc2)n1 6501213 LCBTYUBJIBNAHA-UHFFFAOYSA-N 353.422 4.322 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 6531562 DQJVQOVMNAFLHZ-UHFFFAOYSA-N 366.490 4.096 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 6566177 OAWFPIZGCPVACK-JXFKEZNVSA-N 351.446 4.205 0 40 FIAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc4n3CCCCC4)o2)cc1 7081608 AEEGMTAHJBSEQI-CYBMUJFWSA-N 355.467 4.216 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 7594343 HAYGPIROGDRSLN-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CC(C)c1ccc(-c2nc(CSc3nnc(C4CC4)n3N)cs2)cc1 8134838 GZCSKJRXWWWFGP-UHFFFAOYSA-N 371.535 4.409 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nnc(C(C)C)n1C1CC1 8754958 YOLCPONZUIUBCU-ZDUSSCGKSA-N 374.510 4.173 0 40 FIAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 9584769 CBLFCPQXKKCJID-UHFFFAOYSA-N 354.406 4.012 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N2CCCc3ccccc32)cc1 10025432 VUTUOCXQHDMZIJ-UHFFFAOYSA-N 362.429 4.463 0 40 FIAB COc1ccccc1-c1ccnc2[nH]n(-c3ccc(Cl)cc3)c(=O)c12 10157169 OYFKMKMXKMRYHK-UHFFFAOYSA-N 351.793 4.043 0 40 FIAB CCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(C)(C)C 10434261 KRTLQOWEKURTSR-UHFFFAOYSA-N 373.518 4.130 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 10473100 JUYJDAOKDFSATE-KRWDZBQOSA-N 368.477 4.239 0 40 FIAB Cc1ccc(S(=O)(=O)NCc2ccccc2COc2ccccc2)cc1 10680858 IJDHMOANSZTCBU-UHFFFAOYSA-N 367.470 4.053 0 40 FIAB Cc1cc2nnc(SCC(=O)NC3CCCCC3)n2c2c(C)cccc12 11903159 FVOJDVLYXYEFPB-UHFFFAOYSA-N 368.506 4.040 0 40 FIAB Cc1cc2oc(C(=O)NC[C@H](c3ccco3)N(C)C)c(C)c2cc1Cl 12062860 ZUTGUVHEJLTNQN-OAHLLOKOSA-N 360.841 4.329 0 40 FIAB CN(Cc1cc(-c2ccccc2)c[nH]c1=O)Cc1cccc2ncccc12 12325988 QRQNYFQUZLJIDA-UHFFFAOYSA-N 355.441 4.222 0 40 FIAB CN(Cc1ccccc1NS(=O)(=O)Cc1ccccc1)C1CCCCC1 12521137 FNDFVWLCSMIXKV-UHFFFAOYSA-N 372.534 4.393 0 40 FIAB COc1cccc(CCC(=O)Nc2ccccc2OC(F)(F)F)c1OC 12798132 ZZTCPTLBKOMPHL-UHFFFAOYSA-N 369.339 4.174 0 40 FIAB CC(=O)Nc1cccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 12813944 UHQXJCSRDTUFOF-UHFFFAOYSA-N 371.487 4.068 0 40 FIAB CC[C@H](C)c1ccc([C@@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12971948 YZIYRYZCMQGJML-ORAYPTAESA-N 364.478 4.296 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 13020441 WJQCNQSWQZMSCE-LLVKDONJSA-N 366.845 4.032 0 40 FIAB CCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1 15880940 GWWYCFSXFUWZIN-UHFFFAOYSA-N 365.458 4.139 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1C 15936092 QDPJNRJFQRZCLK-INIZCTEOSA-N 369.440 4.325 0 40 FIAB Cc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144203 CVLQERGHEUVADM-OZVIIMIRSA-N 374.485 4.011 0 40 FIAB O=C(/C=C\c1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 17178087 ZOUHRUFUDAVHPX-WDZFZDKYSA-N 365.433 4.410 0 40 FIAB O=C(Cc1ccccc1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19841722 MSXYSZWIJJHNJS-UHFFFAOYSA-N 362.517 4.100 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1 20412312 ZUBRMFKMRCSHCJ-UHFFFAOYSA-N 370.430 4.122 0 40 FIAB O=C(Nc1nnc(-c2ccncc2)s1)c1cc(Cl)cc(Cl)c1 20534622 QRFKSVTXFLPWCK-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB CC[C@H](CNC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1ccccc1 22243461 WKBOBCLBPBGEJB-MRXNPFEDSA-N 366.490 4.021 0 40 FIAB CCCCSc1nnc2n(-c3ccccc3C)c(=O)c3ccccc3n12 25048444 TUUPTYBAGYOIRP-UHFFFAOYSA-N 364.474 4.234 0 40 FIAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)C1CCC1 28226714 WDHYZYFYGROPHJ-UHFFFAOYSA-N 362.271 4.049 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccn(Cc2ccccc2)n1 28247414 ABRONFFASQEGTM-HNNXBMFYSA-N 369.852 4.299 0 40 FIAB O=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2F)c1 28306412 NHMJETXXJHSRCF-UHFFFAOYSA-N 357.816 4.295 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(N2CCCC2=O)c1 31245595 QYAHFWOFKGXTED-UHFFFAOYSA-N 364.445 4.387 0 40 FIAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1ccccn1 31626633 NWVSBBGQESMICV-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB CN(C)c1ccc(NC(=O)c2cccc(OCc3cccs3)c2)cn1 32914413 BOSIWHQHMZKKOJ-UHFFFAOYSA-N 353.447 4.040 0 40 FIAB O=C(O)c1cc(-c2ccccc2F)nc2cc(-c3ccc(F)cc3)nn12 36615693 ULIWACCPWPPAAU-UHFFFAOYSA-N 351.312 4.040 0 40 FIAB C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1nc(C(C)(C)C)no1 40086306 YQHINERMEAJVGL-NSHDSACASA-N 362.861 4.320 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCc2ccc(O)cc2C1 40120633 ZQYFGGDLKKAZPJ-UHFFFAOYSA-N 352.434 4.304 0 40 FIAB COc1ccc([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 44845125 BWLAOJBYRBGHEQ-NSHDSACASA-N 354.233 4.258 0 40 FIAB CCn1c(C)cc(C(=O)CSCc2nc(-c3cccs3)no2)c1C 45011198 NOTLBMNZNNWDGX-UHFFFAOYSA-N 361.492 4.352 0 40 FIAB CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1 48280105 NOAVQULJLIGBIH-IBGZPJMESA-N 372.900 4.253 0 40 FIAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C[C@@H](C)c2ccccc2)c1 48345080 GEDQQKQTTUBOPF-IAGOWNOFSA-N 352.478 4.025 0 40 FIAB c1ccc2c(Cc3nnc([C@H]4CCN(C5CCCCC5)C4)o3)c[nH]c2c1 49169746 SBUJKRFLVTYJKO-HNNXBMFYSA-N 350.466 4.264 0 40 FIAB biogenic,in-vitro Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3cc(F)ccc23)n(C)n1 53799990 VVPXXAIOMWBFKW-UHFFFAOYSA-N 360.392 4.335 0 40 FIAB O=C(NC[C@@H]1CCCOC1)c1oc2ccccc2c1COc1ccccc1 55919771 CJXXBKFOTAXJPD-INIZCTEOSA-N 365.429 4.168 0 40 FIAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)C1 58137653 OBIUXTJZLQHPOG-QGZVFWFLSA-N 371.525 4.264 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 58179713 OJWXWBJGZIUQQN-UHFFFAOYSA-N 358.441 4.278 0 40 FIAB CC1CCN(Cc2cccc(CNC(=O)NCc3ccccc3F)c2)CC1 58265054 RVWLNXJTCCSFCJ-UHFFFAOYSA-N 369.484 4.057 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(-c4cccnc4)nc3c2)cc1 71279770 IHTLJHAESITFGU-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(Br)c2)cc1 72328934 YMWIWFBLDUGNAW-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB CCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1 72329159 MHPDJTRJSYOUJC-UHFFFAOYSA-N 363.461 4.358 0 40 FIAB COc1ccccc1Cc1cccc([C@@H]2CCCN(C3CCOCC3)C2)n1 72350103 XKRLPJRKUPYDFR-LJQANCHMSA-N 366.505 4.039 0 40 FIAB CC(C)n1c(C(=O)NCCc2ccncc2)cc2c1c1ccccc1n2C 96146290 WGNFIGBNZPAOSW-UHFFFAOYSA-N 360.461 4.081 0 40 FIAB COc1ccc(-c2nnc(S/C(=C\c3ccc(F)cc3)C(=O)O)o2)cc1 96833583 YCSVGYSVBVXNSY-GDNBJRDFSA-N 372.377 4.102 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 100620887 GQMANWRTWLKWFJ-MGTDTEAMSA-N 352.478 4.436 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)CC2=O 100931844 SOUKUVDXRWCDMF-IAGOWNOFSA-N 355.356 4.309 0 40 FIAB COc1ccc(SCC(=O)NCCSCc2cccc(C)c2)cc1 216331866 AUKXJDUEABAJMO-UHFFFAOYSA-N 361.532 4.145 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CCc2ccc(OC)c(C)c2)c1C 223038008 VBJHNTRQHUYMQQ-UHFFFAOYSA-N 355.434 4.060 0 40 FIAB COc1ccc(CCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1C 223389300 NRXXPJABXKZAHO-UHFFFAOYSA-N 369.505 4.472 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223629823 AWSKCCSWIXRSLL-HZPDHXFCSA-N 353.462 4.219 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCCOCc2ccccc2)cc(C)c1Cl 224138552 MLFWIONVJZCGAD-MRXNPFEDSA-N 361.869 4.057 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)COc1ccc2c(c1)CCCC2 224842647 CSSLKXGKRLKXSF-JOCHJYFZSA-N 365.473 4.147 0 40 FIAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225007476 VYLMYIFEWYIVEN-MOPGFXCFSA-N 354.523 4.379 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc(F)cc3)ccc21 225179661 CMOUWQFOUQYMDC-UHFFFAOYSA-N 358.438 4.354 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257307493 SYWGCDUSZKRLEK-GOSISDBHSA-N 367.836 4.291 0 40 FIAB COc1ccc(S(=O)(=O)NC2(c3cccs3)CCCC2)cc1Cl 390828766 UDEJTHPATOSRGK-UHFFFAOYSA-N 371.911 4.158 0 40 FIAB Cn1ccc([C@H]2CCCN(C(=O)C3c4ccccc4Oc4ccccc43)C2)n1 390830409 KXCKMAOXVJKYGZ-INIZCTEOSA-N 373.456 4.064 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(OC)cc(OC)c1 408625739 FJFZIEDLZTUUNJ-ZDUSSCGKSA-N 372.490 4.344 0 40 FIAB COc1ccccc1C1=N/C(=C/c2ccncc2)C(=O)N1c1ccc(C)cc1 408842783 KWVUBOLZZZEAOU-HMMYKYKNSA-N 369.424 4.233 0 40 FIAB Cc1cc(NC(=O)NC[C@@H](C)c2nccs2)cnc1N1CCCC[C@@H]1C 580379437 ANVZTXUERJLDFE-CABCVRRESA-N 373.526 4.151 0 40 FIAB COc1ccc2cc(C(=O)NC[C@@H](c3ccsc3)c3ccco3)[nH]c2c1 670382979 TXWGNTYMUNMADV-INIZCTEOSA-N 366.442 4.393 0 40 FIAB C[C@H](C(=O)N1CCC[C@H](c2ccccc2)CC1)n1ccc(C(F)(F)F)n1 1584586179 SSNDGJJHWVQWPT-ZBFHGGJFSA-N 365.399 4.259 0 40 FIAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccc(-c2ccco2)s1 1889046850 FSLDGBJMWRLHIL-HNNXBMFYSA-N 373.499 4.340 0 40 FIAB CCOC(=O)c1sc2nc(-c3ccc(Br)cc3)cn2c1C 637406 BZOWTILQBMNFFR-UHFFFAOYSA-N 365.252 4.310 0 40 FIAB CC(=O)c1c(OC(=O)c2cccc(Br)c2)c2ccccc2n1C 897436 MAOSQOFNQIORBF-UHFFFAOYSA-N 372.218 4.363 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)N(C(C)C)C(C)C)OCO3 930021 AKGBKHREXUVVMU-UHFFFAOYSA-N 360.479 4.009 0 40 FIAB COc1cccc(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 1385879 OSLDAYANRGPHKC-OAQYLSRUSA-N 371.440 4.285 0 40 FIAB CC(C)Oc1ccc([C@H]2NC(=O)c3c(sc4c3CC(C)(C)OC4)N2)cc1 2394066 XNCRWCQTSIRBFN-KRWDZBQOSA-N 372.490 4.241 0 40 FIAB COc1ccc([C@@H](CC(=O)Nc2nccs2)c2ccc(F)cc2)cc1 2450278 IXBCPDITHIIKHR-KRWDZBQOSA-N 356.422 4.452 0 40 FIAB CN(C)CCOC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 2750667 XCPSJSPFOHDFLZ-UHFFFAOYSA-N 355.478 4.282 0 40 FIAB CCOc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 3273471 MIMLSUZBNGDJLH-UHFFFAOYSA-N 373.474 4.211 0 40 FIAB O=C1OCC[C@@H]1Sc1nc2cc(Cl)ccc2n1Cc1ccccc1 3534166 RLWJVMPRIWVGGZ-INIZCTEOSA-N 358.850 4.146 0 40 FIAB COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@H]23)cc1 4028461 HSKOMYSWFSXSNI-LUBSMZHTSA-N 367.489 4.019 0 40 FIAB biogenic CCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H](C)CCC)cc1 4065722 ZSHDARVIUKPAED-KUHUBIRLSA-N 374.481 4.083 0 40 FIAB O=C(COc1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 4076033 FMENFNZBECAEBK-UHFFFAOYSA-N 358.850 4.405 0 40 FIAB CN(C)CCN(C(=O)Cc1ccccc1)c1nc2c(Cl)cccc2s1 4478816 KTYGSKJLZPGOFJ-UHFFFAOYSA-N 373.909 4.087 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc3c(s2)CCCCC3)[C@@H]1C 4768058 TVEUJATXEMQPRR-IIAWOOMASA-N 363.523 4.115 0 40 FIAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2ccc(C)cc2)NC(=O)N1 4953308 MGLMWHSYLFTYTC-SFHVURJKSA-N 369.852 4.223 0 40 FIAB Cc1cccc2c1N(Cc1ccccc1OCc1ccccc1)C(=O)C2=O 5152244 CEHUDYABUQDLSD-UHFFFAOYSA-N 357.409 4.304 0 40 FIAB CCC(=O)Nc1ccc(C2=NN=C(N[C@@H]3CCCC[C@H]3C)SC2)cc1 5981395 DCNNMMRVBTWAFT-CZUORRHYSA-N 358.511 4.010 0 40 FIAB C[C@@H](O)c1nc2ccccc2n1C(=O)c1ccc(OCc2ccccc2)cc1 6381978 GKUUEEKAVAUTIP-MRXNPFEDSA-N 372.424 4.357 0 40 FIAB C=CCOc1ccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)cc1 6564837 MNMPIFACRLMZQX-CZGNVTRDSA-N 371.487 4.083 0 40 FIAB CC(=O)c1oc2ccccc2c1NC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 8230155 QEGYJOMFQBBOCW-JKSUJKDBSA-N 354.450 4.086 0 40 FIAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1cccc2ccccc12 8230700 HWJNICKAFNVZCN-ZDUSSCGKSA-N 367.478 4.061 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)nc2c1CCC2 8300420 YOVUUASFAXTNKD-UHFFFAOYSA-N 368.289 4.311 0 40 FIAB COc1ccccc1Nc1nnc(SCc2nccn2C(F)F)s1 8778760 RZZPQLJOJHCLFK-UHFFFAOYSA-N 369.422 4.174 0 40 FIAB COc1cc(Cl)cc2cc(C(=O)Nc3cccc(C)c3C)c(=O)oc12 9028049 SGYUXRHHBKYYRN-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3ccccc3)c12 11246745 CFQNASMZEPFEEX-UHFFFAOYSA-N 361.376 4.267 0 40 FIAB c1coc(-c2cnc(NCCCN3CCCCC3)nc2-c2ccco2)c1 12253479 JMGKURGRKFEMKE-UHFFFAOYSA-N 352.438 4.285 0 40 FIAB O=C(COc1cccc(Br)c1)N[C@H](c1ccccc1)C1CC1 12800648 FUGPOJLKUUBCKO-GOSISDBHSA-N 360.251 4.095 0 40 FIAB O=C1C[C@H](c2cc(F)ccc2F)c2c(-c3ccc(Cl)cc3)n[nH]c2N1 13569456 KYTCMLAZRNPMHL-CYBMUJFWSA-N 359.763 4.482 0 40 FIAB CC1CCN(c2ccc(N[C@H](C(=O)N(C)C)c3ccccc3)cc2)CC1 15497697 MFYLPJINCHLRSM-NRFANRHFSA-N 351.494 4.164 0 40 FIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(O)c1 15669605 VIKHJMXKDXSIRF-UHFFFAOYSA-N 357.797 4.057 0 40 FIAB Cc1cccc(C(=O)N[C@@H](NC2CCCCC2)C(Cl)(Cl)Cl)c1 16790943 JULRPVNIQGAHCW-OAHLLOKOSA-N 363.716 4.343 0 40 FIAB Cc1ccc(Nc2nn3c(=O)c4cc(Cl)ccc4nc3s2)cc1C 17053016 AHDRBDMJFFDALV-UHFFFAOYSA-N 356.838 4.318 0 40 FIAB COc1ccccc1C(=O)N1CC[C@H](c2cc(-c3ccc(C)cc3)n[nH]2)C1 19212098 DEMJYQWXDNZARJ-KRWDZBQOSA-N 361.445 4.023 0 40 FIAB O=C(Cc1cccc2cccnc12)NCc1cccc(N2CCCCC2)c1 19716238 VVYJAXVYVNZVFR-UHFFFAOYSA-N 359.473 4.084 0 40 FIAB Cc1nc([C@@H]2CCCCN2C2CCCCC2)ncc1C(=O)N1CCCCC1 19765737 OHYQRKXRAWIOEZ-FQEVSTJZSA-N 370.541 4.271 0 40 FIAB CCCCc1nnc2n1N1C(=CS[C@H]1c1c[nH]c3ccccc13)S2 20722007 VFYILSLOIOXUFU-INIZCTEOSA-N 355.492 4.390 0 40 FIAB Cc1ccc2nc(NC(=O)CSc3ncnc4ccsc34)sc2c1 22188215 ANCCTPOTLXFDQX-UHFFFAOYSA-N 372.500 4.340 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccco3)no2)c1 22459695 UXZQCPMPJAFZHQ-UHFFFAOYSA-N 361.357 4.258 0 40 FIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 22738591 LRSDJOAFDGXLPW-UHFFFAOYSA-N 360.439 4.015 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(F)c2)c1 24987286 ATYBLIMEPBJQSQ-UHFFFAOYSA-N 356.426 4.084 0 40 FIAB O[C@H](Cn1c(COc2ccccc2)nc2ccccc21)c1ccc(F)cc1 25052656 NSBRKYFWESPILU-OAQYLSRUSA-N 362.404 4.488 0 40 FIAB COc1cccc(OCc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)o2)c1 28224913 RSWSCBLWUUBDLR-HNNXBMFYSA-N 363.413 4.459 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 31850788 PMFJEYBUOMGXNL-OAHLLOKOSA-N 360.910 4.169 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccc2[nH]ccc12)C1CC1 32101683 VUWQEDWFRXDCFC-UHFFFAOYSA-N 358.397 4.079 0 40 FIAB O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(O)nn1 38680140 LEFIIEFTFCMNIN-UHFFFAOYSA-N 374.425 4.225 0 40 FIAB Cc1cc(C)n2nc(S[C@H](C)c3nc4ccccc4n3C(F)F)nc2n1 40018122 NQGCCIQWSPEHEW-LLVKDONJSA-N 374.420 4.339 0 40 FIAB CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 40117449 LKRMRNHUYXFMBD-OAQYLSRUSA-N 368.452 4.123 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1cc(C)ccc1C 43667883 DUFQTICQXASRHD-AWEZNQCLSA-N 355.438 4.153 0 40 FIAB COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccoc2)cn1 48238999 ZIOKJMDVAWPLGN-UHFFFAOYSA-N 353.378 4.106 0 40 FIAB CC1=NN(c2ccc(C(=O)N(C)CCCOc3ccccc3C)cc2)CC1 48374776 LAVKPLFGHOPRIK-UHFFFAOYSA-N 365.477 4.122 0 40 FIAB CCc1noc(CCCC(=O)Nc2ccccc2SCC(F)(F)F)n1 56454575 AAQFDVLQSNZUDM-UHFFFAOYSA-N 373.400 4.248 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 63068224 XUHWJFDASOPIRJ-KUPHYXKRSA-N 358.530 4.002 0 40 FIAB COc1ccc(CCCNC(=S)Nc2cc(C)ccc2C)cc1OC 64936525 QHSWWSUGCNKHJP-UHFFFAOYSA-N 358.507 4.240 0 40 FIAB O=C(NCCc1ncc(-c2ccccc2)[nH]1)c1cc2c(F)cccc2s1 65549336 GTHFNAPBYFDUSV-UHFFFAOYSA-N 365.433 4.403 0 40 FIAB CO[C@H](C(=O)N1CCCc2cc(OC(F)(F)F)ccc21)c1ccccc1 69414426 PRRHHYNIQBPSSJ-KRWDZBQOSA-N 365.351 4.252 0 40 FIAB COc1ccccc1Cc1cccc(C2CCN(C3CCOCC3)CC2)n1 72350102 QIEPZZBTYPEEFD-UHFFFAOYSA-N 366.505 4.039 0 40 FIAB O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358457 DMWSVEFPBKYUDZ-KRWDZBQOSA-N 361.420 4.303 0 40 FIAB Cc1ccn(-c2ccc(N3CCC(c4c(C)[nH]c5ccccc45)CC3)nn2)n1 77931387 RUZDYLIKAFIKOU-UHFFFAOYSA-N 372.476 4.144 0 40 FIAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCc3ccccc3C2)c1 78762418 OLSBEHMQEYVSFX-AREMUKBSSA-N 370.518 4.324 0 40 FIAB c1cc2c(cc1[C@H](NCc1cnc([C@H]3CCCO3)s1)C1CC1)OCCO2 89800380 QNYAUIHIQVATKF-IEBWSBKVSA-N 372.490 4.007 0 40 FIAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)Nc1ccc(F)c(Cl)c1 96098651 QGAYXGRDIOCOKV-UHFFFAOYSA-N 363.824 4.130 0 40 FIAB O=C(c1ccc(-c2ncon2)cc1)N1CC2(CCCC2)c2c(F)cccc21 107137987 VIKBFFQZFZHVEF-UHFFFAOYSA-N 363.392 4.348 0 40 FIAB CC(=O)Nc1c(C)ccc(N[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107336993 MKXKTCBAYJNTNS-PTGCCPEKSA-N 371.525 4.003 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Oc1ccc(C(=O)Nc2cccnc2)cc1 107344098 JICCEVXAGDGHPX-XIRDDKMYSA-N 350.418 4.066 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)CCc2ccc3c(c2)OCO3)cc1 222652599 GEGUTIPRHUIWRW-IBGZPJMESA-N 369.461 4.260 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(C)c1 223320040 YBTIYHXXUPZHJI-UHFFFAOYSA-N 368.477 4.105 0 40 FIAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 223328383 IJZOOWUNFLXJEL-LBPRGKRZSA-N 359.297 4.037 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(OC)c(C)c2)sc2c1CCCC2 223679077 VITCWUROPUITSX-UHFFFAOYSA-N 373.474 4.373 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)NCCc1ccc(F)cc1 225127383 MOFGOSDJLBEGOU-UHFFFAOYSA-N 355.837 4.210 0 40 FIAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1ccccc1C(F)(F)F 225604760 GFWMLYSJLBQHID-LBPRGKRZSA-N 364.367 4.393 0 40 FIAB COc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1Cl 225853636 MJWFLEIPWZMUNQ-UHFFFAOYSA-N 361.898 4.500 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 245228429 XQZSITUXVFULFY-QQURRQIPSA-N 357.538 4.342 0 40 FIAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)C12CC3CC(CC(C3)C1)C2 408529601 MUIODNOXLUNFRM-UHFFFAOYSA-N 352.409 4.405 0 40 FIAB Cc1cccc(CS(=O)(=O)N[C@H](C)Cc2csc3ccccc23)c1 575620597 LDYVIRDADXOPPH-OAHLLOKOSA-N 359.516 4.260 0 40 FIAB CCc1c(C)nc2sc(C(=O)c3ccc4c(c3)OCO4)c(N)c2c1C 968915 VMUYOJHYBKZOPL-UHFFFAOYSA-N 354.431 4.017 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4cccc(O)c4)nn12)CC[C@@H](C)C3 2194580 YAJVODJKGQSCON-SNVBAGLBSA-N 350.447 4.145 0 40 FIAB O=C1OCC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12 2492600 ZKPDEPPSJLBIIL-NRFANRHFSA-N 357.365 4.046 0 40 FIAB COc1cc(SC)ccc1C(=O)Nc1nnc(Cc2ccccc2)s1 2617088 DZENTTMKYNMRLM-UHFFFAOYSA-N 371.487 4.112 0 40 FIAB COc1ccc2c(COC(=O)c3cccc4ccccc34)cc(=O)oc2c1 3323470 DWYZOLQCRGSTMR-UHFFFAOYSA-N 360.365 4.312 0 40 FIAB COC(=O)c1ccc(COc2nnc(-c3ccccc3)c3ccccc23)o1 3369417 FQVUUFIWTILISZ-UHFFFAOYSA-N 360.369 4.255 0 40 FIAB O=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1cccc(F)c1 4119906 QHXWUIIVZIIRNB-UHFFFAOYSA-N 362.857 4.153 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](Cc2ccc3ccccc3c2)C[C@H]1C(=O)O 4241428 MXRLDJPRHLSJSL-QAPCUYQASA-N 355.434 4.093 0 40 FIAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O 4308457 JNDGGRCIKBWXML-JOCHJYFZSA-N 368.452 4.481 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccoc1C 4860455 YXZFRDLGCUYMHQ-UHFFFAOYSA-N 370.478 4.214 0 40 FIAB COc1ccc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)oc2c1 5125384 PFILOESTCJQKCL-UHFFFAOYSA-N 363.291 4.073 0 40 FIAB CC(=O)N1CCCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 5154239 WTEHHZOCLHPTBV-UHFFFAOYSA-N 362.351 4.257 0 40 FIAB CCOc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cs2)cc1 5156825 SDJLGERYFCLGOP-UHFFFAOYSA-N 367.430 4.283 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C 5262089 KWIGLLZBJZWQCD-CYBMUJFWSA-N 370.453 4.049 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2)CC1 5977785 UFRGTOHRTUYGKL-UHFFFAOYSA-N 350.890 4.390 0 40 FIAB CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)Nc1ccccc1 6137832 FICCFRMBYYPAKP-WMZOPIPTSA-N 368.452 4.343 0 40 FIAB biogenic,in-vitro CC(C)Oc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 6762728 OUPXPELMNLUNON-UHFFFAOYSA-N 372.534 4.047 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Sc1ccccc1 6841527 CGHSAHMBDRLILK-UHFFFAOYSA-N 350.399 4.214 0 40 FIAB Cc1ccc(NC(=O)[C@@H](NCc2cn3ccccc3n2)c2ccccc2)cc1 7001917 NYJRGSJYKGRWFI-QFIPXVFZSA-N 370.456 4.112 0 40 FIAB CCN1CCN(c2ccccc2NC(=O)c2oc3ccccc3c2C)CC1 7107216 GNTVNRRQELVNQD-UHFFFAOYSA-N 363.461 4.135 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 7573912 OHRNFZIRSSDGDW-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)c(F)c3)s2)cs1 7820699 CAEPEAVWXMUUTH-UHFFFAOYSA-N 350.415 4.388 0 40 FIAB CC(=O)c1ccc(N2CCN(C(=S)Nc3cc(C)ccc3C)CC2)cc1 8684944 SKYONKIESRJGFF-UHFFFAOYSA-N 367.518 4.025 0 40 FIAB Cc1[nH]c(S[C@@H](C)C(=O)NC2CCCCC2)nc1Cc1ccccc1 8719255 YBUNDSMIXDTLBE-HNNXBMFYSA-N 357.523 4.238 0 40 FIAB CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792383 XVMRCJSQSBFQJV-MGPUTAFESA-N 354.450 4.215 0 40 FIAB CCSc1nnc(NC(=O)C2(c3ccc(F)cc3)CCCC2)s1 9867513 OBFUQVSEBPDEOS-UHFFFAOYSA-N 351.472 4.240 0 40 FIAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(OC(F)F)cc2)cc1C 11517342 ZFSCTPMCOAWDRH-UHFFFAOYSA-N 361.388 4.184 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(CC3CCCC3)n[nH]2)cc1 11886292 DPNYQXRWKCHSPQ-CYBMUJFWSA-N 374.510 4.055 0 40 FIAB COc1cc(CCC(=O)N2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1 12779903 IMWMLOJHCDBLGM-FQEVSTJZSA-N 357.425 4.139 0 40 FIAB CC(C)c1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)o1 12815381 ZTROTHGLICDGQI-VIFPVBQESA-N 355.257 4.319 0 40 FIAB O=C(COc1cccc(F)c1)N1CCC(c2nc3ccccc3s2)CC1 12852916 NNKUPOKENRQKPR-UHFFFAOYSA-N 370.449 4.220 0 40 FIAB COC(=O)CCS[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 12982987 VPGIRNXMTAMWNR-HXUWFJFHSA-N 353.443 4.388 0 40 FIAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1 12990208 RCEMSBPXKZZYTG-UHFFFAOYSA-N 360.885 4.001 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)c1 14257664 FFIUFPRWKYPMDI-UHFFFAOYSA-N 355.488 4.348 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCCCn2cnc3ccccc32)c1 15137385 GVKQBBPAEKAVRS-UHFFFAOYSA-N 359.882 4.232 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 15641517 AKMZFTXMONIVTE-CYBMUJFWSA-N 373.815 4.130 0 40 FIAB CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1NCc1ccoc1 19018150 ABTGFVZSGKQTGW-FQEVSTJZSA-N 352.459 4.447 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1C 19647642 LUIWSVZMSDKACT-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCCN(C)c1ccccc1 19666583 RYOWKXYHQIWQCE-UHFFFAOYSA-N 369.852 4.170 0 40 FIAB COc1ccc(OC)c(CC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 20029787 LUMGZGLSFJMFCC-UHFFFAOYSA-N 357.303 4.043 0 40 FIAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2ccc(Cl)cc2)o1 20139880 VXGDNGBCSQODRO-UHFFFAOYSA-N 357.749 4.256 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20144095 ZDKVJNNBELUDNH-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB CCCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C 20611267 TYEUXWXZTJZGTI-UHFFFAOYSA-N 352.438 4.256 0 40 FIAB COc1ccc(-c2c(C(C)C)nc3nc(-c4ccccc4)nn3c2N)cc1 20638511 GWXFCUKJCQEKKN-UHFFFAOYSA-N 359.433 4.173 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 21378980 CMDBKDMQVBFXPB-CVEARBPZSA-N 365.429 4.055 0 40 FIAB COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1 24760008 BIJIXDFAKGOEML-UHFFFAOYSA-N 352.434 4.466 0 40 FIAB Cc1cc(CSc2nccn2-c2ccc(Br)cc2)on1 24837429 WSCRCYIHHTYPGB-UHFFFAOYSA-N 350.241 4.224 0 40 FIAB Cc1ccc(-c2nnc(CN(C)Cc3nc4ccccc4s3)o2)cc1 25927330 IKZUPNWYKRNVFX-UHFFFAOYSA-N 350.447 4.287 0 40 FIAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cccc(C(F)(F)F)c1 27916707 VBXGPRNBYWGKLR-UHFFFAOYSA-N 363.314 4.342 0 40 FIAB COCCOc1ccc(N[C@@H](C)C(=O)Nc2ccc3ccccc3c2)cc1 30505946 BWLNNTOPHZVLAF-INIZCTEOSA-N 364.445 4.304 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(F)cc2)c1 30848496 CQDSWXMEBZWHGO-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB CCOc1cc(C(=O)N2CCc3ccccc32)ccc1OCc1ccncc1 31899176 CDWFSBZDMNFMPI-UHFFFAOYSA-N 374.440 4.262 0 40 FIAB CN(C)[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1Cl 32732098 URHDNTPCRCJBRV-KXDMBUCYSA-N 360.929 4.275 0 40 FIAB CNC(=O)c1ccc(NC(=O)CS[C@@H](C)c2ccccc2Cl)cc1 32907794 SQYNOPVKLCKVBM-LBPRGKRZSA-N 362.882 4.133 0 40 FIAB CCOc1ccccc1-n1nnc(C(=O)Nc2ccccc2)c1C(C)C 36636104 UKIJDGHGCLEWFG-UHFFFAOYSA-N 350.422 4.042 0 40 FIAB COCc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2[nH]1 44893150 SIWAZSBCFZSVKM-UHFFFAOYSA-N 350.205 4.268 0 40 FIAB C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 46172856 VDGIHMAVCAPTEF-CYBMUJFWSA-N 364.511 4.341 0 40 FIAB CCN1CCc2c(c3ccccc3n2CCC(=O)Nc2ccc(F)cc2)C1 49546937 DNFFSZQYLIWAHH-UHFFFAOYSA-N 365.452 4.187 0 40 FIAB CN(Cc1ccc(O)cc1)C(=O)c1ccc2noc(-c3ccccc3)c2c1 52962813 VEAGPCIGUGOVPY-UHFFFAOYSA-N 358.397 4.473 0 40 FIAB c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1 58157926 PEDPSDFRMOIWTL-UHFFFAOYSA-N 361.474 4.465 0 40 FIAB COc1ccccc1CN1CCC[C@H]1c1nnc(-c2ccc(C)s2)o1 60016737 LGAAWQLKVAXRPO-HNNXBMFYSA-N 355.463 4.452 0 40 FIAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H]2CCCO2)c1 61997245 LYMOLWFFOVIOEG-KRWDZBQOSA-N 364.401 4.111 0 40 FIAB Cc1ccn2c(C(=O)NC(c3ccccc3)c3ccccc3)c(C)nc2c1 71476270 BCJNHRJEJQXANC-UHFFFAOYSA-N 355.441 4.471 0 40 FIAB COc1ccccc1-c1noc([C@H](C)NC(=O)C[C@@H](C)c2ccccc2)n1 72303537 GISUYFRALLGHDH-CABCVRRESA-N 365.433 4.116 0 40 FIAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc2ccccc2c1 80345116 MNJYWJSPVKEQBA-INIZCTEOSA-N 358.463 4.088 0 40 FIAB CC(C)(CN1CCCCC1)CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100763505 HUVFVNHPKPNYQK-OALUTQOASA-N 374.544 4.152 0 40 FIAB CN1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C[C@H]1CC2 100924593 QNDXPYLMSWGOGQ-NHCUHLMSSA-N 364.464 4.261 0 40 FIAB CN1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)[C@@H](c2ccccc2)C1 109076678 AJGAGVPIDJBFLL-JOCHJYFZSA-N 373.456 4.003 0 40 FIAB C[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc2c(c1)CCC2 223204831 QXGQJCPFCFNJEV-CYBMUJFWSA-N 374.278 4.194 0 40 FIAB COc1ccc(CCC(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223735644 ALDGTNWOXSOQCE-UHFFFAOYSA-N 369.505 4.429 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1cccc(C)c1C 223945796 XEAMBHXUGJNREF-LJQANCHMSA-N 355.478 4.273 0 40 FIAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 224553941 XMHHXZJHJJDAHS-ZWKOTPCHSA-N 367.499 4.329 0 40 FIAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)N1CCCCC1 224879344 QUFQLRNGQNHUMC-UHFFFAOYSA-N 363.255 4.049 0 40 FIAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224947205 MMOYOKRESCCZGX-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 224976357 HDEOZZDZCQDVOI-LBPRGKRZSA-N 359.297 4.037 0 40 FIAB COC(=O)c1cccc(NC(=O)CCc2c(Cl)cccc2Cl)c1 225354000 BJADLZKZOPPKOU-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225366028 SHFOJPAKRSYGFZ-UHFFFAOYSA-N 359.809 4.152 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(F)c1 225686519 HLJVRIZGTXXFID-MRXNPFEDSA-N 360.454 4.423 0 40 FIAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(OC)c(Cl)c1 242461972 BQZSPPYNEGODLG-UHFFFAOYSA-N 353.871 4.274 0 40 FIAB CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 257217594 CZQPNSGUSHGNEK-INIZCTEOSA-N 353.466 4.258 0 40 FIAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)C1CCCC1 257322259 WFFHPISWNPYWQY-CTYIDZIISA-N 359.495 4.378 0 40 FIAB Cc1ccc(CN2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 257337593 YTKVDLUFUIXLGS-CZAYHTPWSA-N 364.489 4.282 0 40 FIAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)cc1C 260742299 UXPRJKDNKLWZPC-QGZVFWFLSA-N 353.535 4.431 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3nc4cnccc4s3)cn2)cc1 646788104 CREGBEUXDHOQNW-UHFFFAOYSA-N 362.414 4.439 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(-c2ccccc2)ccn1 1532314702 HYVWSCAGTKUUOO-UHFFFAOYSA-N 357.413 4.349 0 40 FIAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(C4CCN(C(C)C)CC4)C[C@@H]32)nc1 2037976184 XKTCNMNIBOHWCR-TXTKFYIRSA-N 355.570 4.153 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1C1CCCCC1 793592 QBFWAGXEPYWRCF-UHFFFAOYSA-N 374.510 4.085 0 40 FIAB O=C(NCc1ccccc1)c1ccc(NCCC(=O)c2cccs2)cc1 1438693 ADQOWRYAQOHIMS-UHFFFAOYSA-N 364.470 4.363 0 40 FIAB CC(C)OC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 2358870 JAVRUKYFOYPQFO-AWEZNQCLSA-N 374.444 4.341 0 40 FIAB Cc1cccc(-c2nc3c4cnn(-c5ccc(C)c(C)c5)c4ncn3n2)c1 2410547 WWFONHTZWGUIMJ-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1Cl 3072846 DISBMUGUWPOPKM-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CC(=O)[C@H]1C[C@H](CC(=O)NC(=S)Nc2ccc3ccccc3c2)C1(C)C 3171863 BSAOKGVTDZDSLM-SJLPKXTDSA-N 368.502 4.294 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccc(COc3ccccc3)cc2)c1 3415292 ISBVWURMWDQSCV-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB COc1cc(C)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1 3510640 BDZXORGGYVKNHD-UHFFFAOYSA-N 361.441 4.288 0 40 FIAB CC(C)(C)OC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 4340196 JFUHPTSGQCWZSH-UHFFFAOYSA-N 352.386 4.181 0 40 FIAB biogenic O=C(O)/C(=C\c1ccccc1OCc1ccccc1)NC(=O)c1ccccc1 4526081 NPDLEOREOPQTOA-HMMYKYKNSA-N 373.408 4.121 0 40 FIAB O=C(c1ccccc1)N1CCC(Nc2cccc(Br)c2)CC1 4749387 NSXMIFBVGAPCMQ-UHFFFAOYSA-N 359.267 4.166 0 40 FIAB COc1ccc(CNCC[C@]2(c3ccccc3)C[C@@H](C)N(C)C[C@H]2C)cc1 4785493 RTMYNEJVZJZFHI-REHUZNOOSA-N 366.549 4.473 0 40 FIAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3cccc4ccccc34)C2)n1 4967662 FGXSGJBVBPRHEP-GOSISDBHSA-N 360.461 4.102 0 40 FIAB CCN(CC)CCCNc1cc(C)nc2cc(-c3cccc(C)c3)nn12 4969560 KRMIUEWCMRNQCF-UHFFFAOYSA-N 351.498 4.157 0 40 FIAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 5184637 HMMCOXWOXIAEOB-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB Cc1nc(=O)c(-c2ccccc2)c(C)n1CCc1c[nH]c2cc(F)ccc12 5274884 KIPLGORKAXTPKC-UHFFFAOYSA-N 361.420 4.390 0 40 FIAB CC[C@H](C(=O)Nc1nnc(-c2cccc(OC)c2)s1)c1ccccc1 5562290 YWCYOQXNYKMQMY-INIZCTEOSA-N 353.447 4.346 0 40 FIAB CCC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 5748426 ZVMZFGYBGKVCFK-UHFFFAOYSA-N 366.417 4.245 0 40 FIAB CCOC(=O)c1c(NC(=O)Cc2ccc(C)cc2)sc2c1CCCC2 6386777 OCTJGTKWRAAURA-UHFFFAOYSA-N 357.475 4.293 0 40 FIAB CCOC(=O)/C(C#N)=C(\C=C\c1ccc2c(c1)OCO2)c1ccc(F)cc1 6497353 KINMDOVYYDOCIN-VIFNPUCCSA-N 365.360 4.108 0 40 FIAB COc1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1Cl 6729170 XMWUOYQPINEVAT-UHFFFAOYSA-N 363.826 4.031 0 40 FIAB Cc1ccc(C2=NN(C(=O)CSc3ccccn3)[C@@H](c3ccco3)C2)o1 6822313 BXUCIHPLGNKHSF-OAHLLOKOSA-N 367.430 4.046 0 40 FIAB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 6965752 RGASXMCYOZSXGO-FTRWYGJKSA-N 363.413 4.306 0 40 FIAB COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(OC)c1 7602948 YXQYGUNMFKLYIQ-SXGWCWSVSA-N 357.387 4.063 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 7651883 NZYXAYVNWXUMPJ-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB CCc1cccc2c(C3=Nn4cnnc4S[C@@H]3c3ccccc3)c[nH]c12 7784558 YADUUPIEVVDREE-LJQANCHMSA-N 359.458 4.421 0 40 FIAB CC(=O)c1ccccc1NC(=O)CNc1ccc(Br)c(C)c1 7972504 QYCGYAHKABFOMH-UHFFFAOYSA-N 361.239 4.011 0 40 FIAB CCc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8284330 OQHQFKILXKPVTK-UHFFFAOYSA-N 368.521 4.300 0 40 FIAB CCCCCn1nc(C(=O)Oc2ccc(C)c(C)c2)c2ccccc2c1=O 8395061 YWUCBCKKECQAQY-UHFFFAOYSA-N 364.445 4.423 0 40 FIAB CCCCOC(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 8903204 ZDVRLBDVVOYXSY-UHFFFAOYSA-N 368.458 4.434 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c(C)c1 9137675 JKLINIAVFGFQIQ-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)CCc1c[nH]c2ccccc12 9616386 IYHLLCYUBFTPNH-UHFFFAOYSA-N 361.489 4.359 0 40 FIAB O[C@]12CCCC[C@@H]1C1(CCCCC1)NC(=S)N2Cc1ccc(F)cc1 12323506 NCYQTZQZSFZWFX-YLJYHZDGSA-N 362.514 4.098 0 40 FIAB Cc1nc2cc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nn2c(O)c1C 12337039 CGEZXCNKQKYHAC-KRWDZBQOSA-N 356.857 4.042 0 40 FIAB CCOc1cccc2cc(C(=O)Nc3nnc(-c4cccc(C)c4)o3)oc12 12515889 XTUBRCQPOAWPSD-UHFFFAOYSA-N 363.373 4.442 0 40 FIAB Cc1ccc(-c2nn(C[C@H](O)c3ccccc3)c(=O)c3ccccc23)cc1 12788213 UCMABOPGFVKRKX-NRFANRHFSA-N 356.425 4.106 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1cccc(Cl)c1Cl)c1cccs1 12884562 QCIZQLONABBDOE-NSHDSACASA-N 357.306 4.364 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12998627 LBAVGNMQFBDOJY-LLVKDONJSA-N 367.232 4.077 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCc2ccc(-n3cccn3)cc2)c1 14678768 PNUXUGFQSBABGC-UHFFFAOYSA-N 361.474 4.362 0 40 FIAB Cc1cc(OCC(=O)Nc2c(Cl)ccc3nsnc23)ccc1Cl 16282321 WSQYFWYKJDUPNI-UHFFFAOYSA-N 368.245 4.324 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCCC[C@@H](C(=O)Nc2ccccc2)C1=O 16921515 YQIUJBKGGXUMMG-KDURUIRLSA-N 364.445 4.029 0 40 FIAB O=C(Nc1cc2ccccc2cc1C(=O)N1CCc2ccccc21)C1CC1 16960166 QKAIXJWYTSLABB-UHFFFAOYSA-N 356.425 4.391 0 40 FIAB O=C1O[C@H](Oc2ccccc2O[C@@H]2OC(=O)c3ccccc32)c2ccccc21 17142951 JDJZNSVKURNQJL-SZPZYZBQSA-N 374.348 4.183 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@H]1c1cc(Cc2ccccc2C)cc(C)n1 19691972 NBEVRSMGBDPTTE-NRFANRHFSA-N 366.505 4.378 0 40 FIAB O=C(COc1cccc(F)c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 21205736 FPIZZEXZXLZKAB-UHFFFAOYSA-N 357.381 4.275 0 40 FIAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1cccc(Cl)c1 23144110 RSZXRZDIHHUTAS-UHFFFAOYSA-N 362.820 4.390 0 40 FIAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccccc2C)o1 23952133 BWJFMZJPHYUPFC-GJZGRUSLSA-N 359.495 4.317 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc(Cl)cc1F 27318461 PHBGZSITXRRMBX-UHFFFAOYSA-N 372.783 4.254 0 40 FIAB C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 28652483 YEZIJIYWOAGXRQ-XMSQKQJNSA-N 372.468 4.425 0 40 FIAB Cc1ccc(-c2cc(CSc3nnc(-c4ccncc4)o3)on2)cc1 32324421 ORIHRTLMUDFPBO-UHFFFAOYSA-N 350.403 4.387 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2noc(-c3cccc(Cl)c3)n2)c1 32624180 QTUDIMJMTUTPDQ-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB COC[C@@H](C)NC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 32841451 IALSLNFXEOPMIW-GFCCVEGCSA-N 353.340 4.262 0 40 FIAB COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 35325471 CTZXMBQSLRUNDU-OAHLLOKOSA-N 354.406 4.432 0 40 FIAB Cn1nc(C(=O)Nc2ccccc2C(F)(F)F)cc1-c1ccc(F)cc1 36178123 CHALYHYHZRGTBA-UHFFFAOYSA-N 363.314 4.497 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)o1 36697609 RUPTYKLQBBRNLK-KQSIBHDWSA-N 352.478 4.055 0 40 FIAB Cc1noc([C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)n1 37149645 NBEYWGNJQOQSLN-VIFPVBQESA-N 364.858 4.176 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O 39918136 WDMNHMKYCCKFPT-CYBMUJFWSA-N 362.351 4.005 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 44934104 QOEGIPJGEUPJSC-QAPCUYQASA-N 358.432 4.054 0 40 FIAB Cc1noc(-c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)n1 46012437 VLTHTRWBDCEAPM-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB COc1cccc([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)N(C)C)c1 57288417 FXIDENPXKJZLRW-QGZVFWFLSA-N 367.276 4.035 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1 57416755 NTBKMWZMSMLEAE-UHFFFAOYSA-N 354.519 4.206 0 40 FIAB C[C@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 57620367 SSIFODYPXIUDGD-HNNXBMFYSA-N 357.885 4.230 0 40 FIAB Cc1ccc(OCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 58725887 AWEMRYNCNWHZBD-UHFFFAOYSA-N 354.397 4.379 0 40 FIAB Cc1noc(C)c1NC(=O)COc1ccc(C2SCCCS2)cc1 63447393 SDANVWKWROTKHE-UHFFFAOYSA-N 364.492 4.178 0 40 FIAB Cc1cc(C)cc(C2(C(=O)Nc3ncn(Cc4ccccc4)n3)CCC2)c1 64808308 JREUSPVFTDIDEL-UHFFFAOYSA-N 360.461 4.004 0 40 FIAB COc1cccc([C@@H](C)N(C)Cc2ccc(OC)c(OC(F)F)c2)c1 72309097 IAJLYLUEIQNBPH-CYBMUJFWSA-N 351.393 4.498 0 40 FIAB Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2)n1 72353322 OILYTJVHLROMOK-GOSISDBHSA-N 364.493 4.425 0 40 FIAB CCc1oc2ccccc2c1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 91949335 DTKDMABNYUEURE-QGZVFWFLSA-N 368.521 4.466 0 40 FIAB CCCCn1c2nc(S)nnc2c2cc(Br)cc(CC)c21 96319349 LCSWBPWADWYGBG-UHFFFAOYSA-N 365.300 4.393 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CCCN3C(=O)Cc3cccc(C)c3)n2)cc1 98212207 UOEBMXHCMDNTPA-IBGZPJMESA-N 361.445 4.260 0 40 FIAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc3[nH]ccc3c2)CC1 101496263 DSWMGDJVLGDBRV-GASCZTMLSA-N 371.481 4.438 0 40 FIAB CC(=O)[C@H]1[C@H](N(C)C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118917578 KIIFJDKQTHOFGN-XKMUXQCMSA-N 359.554 4.055 0 40 FIAB COC(=O)Nc1ccccc1OCc1coc(-c2c(F)cccc2F)n1 154421376 MLBFHDMEBAIFHN-UHFFFAOYSA-N 360.316 4.377 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccccc2F)cc1 219579170 MNYYAKUONURDKZ-LJQANCHMSA-N 359.441 4.131 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2ccc(C)cc2C)ccc1Cl 222828301 ARUCWZOOOWPOCS-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C 223092158 QANXSSDXYKDYPK-WOJBJXKFSA-N 368.550 4.342 0 40 FIAB CCc1ccc(CC)c(CNC(=O)COc2cccc3c2CCCC3)c1 223270629 ONMASLDOZISWER-UHFFFAOYSA-N 351.490 4.385 0 40 FIAB O=C(CSCc1ccc(Br)cc1)NCC1CCCCC1 223455140 FLRDNNBVIUFANC-UHFFFAOYSA-N 356.329 4.379 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc2ccccc2c1 223616051 DQGBHTAPPRUBLN-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)o2)cc1 223745714 HNWAQRJYLLYGPM-MOPGFXCFSA-N 365.458 4.169 0 40 FIAB CCC[C@@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 224680700 XVOFLRHXRQKZCF-QLENYVDCSA-N 356.491 4.132 0 40 FIAB O=C(NC[C@@H](c1ccsc1)N1CCC1)Nc1cccc(C(F)(F)F)c1 225595981 CQNIVMHVOHEKNK-HNNXBMFYSA-N 369.412 4.335 0 40 FIAB Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(F)cc1C)CC(C)(C)O2 225598461 PKYDRDVAAVVFKB-MRXNPFEDSA-N 363.454 4.023 0 40 FIAB CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c2ncccc12)C1CC1 225902847 XJSMBHGCMRNMMA-OAQYLSRUSA-N 356.466 4.413 0 40 FIAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc2sc(N)nc12 226310569 QKMFVOJFUHEBJG-UHFFFAOYSA-N 368.245 4.446 0 40 FIAB CC(C)OC(=O)CSC[C@](O)(COc1ccc(Cl)cc1)C(C)(C)C 255190080 UWRTUBQBJQRIHM-GOSISDBHSA-N 374.930 4.181 0 40 FIAB Cc1cc(C)c(CN2CCO[C@@]3(CCCC[C@@H]3N3CCCC3)C2)cc1C 306136511 PVQOTSXUDFCBDQ-GOTSBHOMSA-N 356.554 4.221 0 40 FIAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(C)(C)C)cc1 408675844 LEIVYHBYWRTEJB-UHFFFAOYSA-N 364.445 4.102 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 408779458 XADSJMJLVDRCKW-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB CC(C)Cn1c(SCCOc2ccccc2)nnc1-c1ccncc1 409101145 ABHMYFUUWUMTNJ-UHFFFAOYSA-N 354.479 4.167 0 40 FIAB COc1ccc2sc(C(=O)N3CCOC[C@H]3c3ccc(C)o3)c(C)c2c1 524665253 PYIKJOPIFPPYQM-INIZCTEOSA-N 371.458 4.333 0 40 FIAB CCO[C@@H]1C[C@H](O)C12CCN(CCCc1cccc3ccccc13)CC2 524990193 HCDJGANVXMLJJR-FCHUYYIVSA-N 353.506 4.024 0 40 FIAB CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)N1CCC(n2ccnn2)CC1 585082015 PUBHOUJRIVQCHD-JGCRXCKMSA-N 358.530 4.074 0 40 FIAB CCC[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(Oc2ccccc2)cc1 624017685 COTOKFKFXFBSMO-RTWAWAEBSA-N 365.477 4.377 0 40 FIAB Cc1ccc2c(c1)[C@H]1NC(=O)N(Cc3cccs3)[C@@]3(CCSC[C@H]13)O2 1776004497 SKLLTHNFZDQGKJ-SUMDDJOVSA-N 372.515 4.165 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)O)n2-c2ccc(C)cc2)cc1 916880 NBITUMBDGQZXNW-CQSZACIVSA-N 353.447 4.116 0 40 FIAB Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)o2)c(C)c1 925231 QPKWNEWUSVXGHE-UHFFFAOYSA-N 353.447 4.274 0 40 FIAB CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccc(OC)c3)cc12 1323564 GCQLFKYAUNIWTG-UHFFFAOYSA-N 354.358 4.146 0 40 FIAB biogenic CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2cc1OC 2223864 LVUGMLXXPVMYGH-UHFFFAOYSA-N 366.413 4.419 0 40 FIAB Brc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 2397986 ZDISUQYYBPFDRJ-CVEARBPZSA-N 355.239 4.187 0 40 FIAB CCCn1nc(NC(=O)COc2ccccc2)c2cc3cc(C)ccc3nc21 2443544 DMCPFUVYQOMWRM-UHFFFAOYSA-N 374.444 4.320 0 40 FIAB CCCNC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2729012 ULGJNAHVRCQGLU-UHFFFAOYSA-N 356.429 4.203 0 40 FIAB NC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2737289 XXCUZYLSDLYCSI-UHFFFAOYSA-N 367.408 4.253 0 40 FIAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(OC(F)F)cc1 3261885 VNDKOHZGQKIMQP-UHFFFAOYSA-N 374.431 4.181 0 40 FIAB COc1cccc(/C=C/C(=O)OCc2cccc(C(F)(F)F)c2)c1OC 3343516 ZKPJUMKEFDWGED-MDZDMXLPSA-N 366.335 4.479 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(-n2cccc2)cc1 4628835 OFVATSVGGPWBJB-OAHLLOKOSA-N 354.837 4.214 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1 5749828 LPIQMYHGQBCZCO-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1OC 6247983 SVSRJNBTOFUXMG-UHFFFAOYSA-N 360.841 4.210 0 40 FIAB CC(=O)c1cccc(NC(=S)N2CCN(c3ccc(C)cc3)[C@@H](C)C2)c1 6573460 LYCBRWLUDONWNP-INIZCTEOSA-N 367.518 4.105 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2C1 6606636 UQFWAXRTFCCCSK-CJNGLKHVSA-N 372.490 4.078 0 40 FIAB O=C(COc1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 6747507 JCOCLCJUYCNQKD-UHFFFAOYSA-N 357.356 4.166 0 40 FIAB COc1cccc(-n2cnnc2SCc2cc(-c3ccccc3)on2)c1 7020213 WQPVHVHJTSXZOZ-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1c1cccs1 7309931 AUSOHVGNRZOOGQ-CYBMUJFWSA-N 372.309 4.036 0 40 FIAB Cc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)cc1 7641646 WMEFIVFHZIQLFH-UHFFFAOYSA-N 366.442 4.071 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc3c(c2)OCCCO3)c1C 7773614 UPHFTJIWIUSWOW-AWEZNQCLSA-N 373.474 4.359 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccccc1OCC 7778708 VJAZGWAYMBHSPJ-UHFFFAOYSA-N 368.385 4.365 0 40 FIAB COc1ccc(OCCSC2=Nc3ccccc3[C@H]3CC=NN23)cc1 7780837 AKYFGOMQTSMJRI-GOSISDBHSA-N 353.447 4.241 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)cc1 8117558 JFDQXXNLGLRINN-HXUWFJFHSA-N 356.381 4.015 0 40 FIAB COc1ccccc1NCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 8211071 GMHXEDRDHCPPDG-LLVKDONJSA-N 353.249 4.291 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1 8270238 JCEJARZYXVOZFY-UHFFFAOYSA-N 367.880 4.392 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(Cl)c2C)n1 8476692 IHAFIFFPNJYKLV-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccn3)cccc2c1=O 9306056 VZYFZVRGAGLMCJ-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB COCCCNc1nc(Nc2ccccc2)c2cnn(-c3ccccc3)c2n1 9573535 ATHPMZSBHKVEDA-UHFFFAOYSA-N 374.448 4.008 0 40 FIAB Cc1ccc(C2=CCN(C(=O)c3ccc(Cn4cccn4)cc3)CC2)cc1 10202159 XNCYGOTUVJGSKU-UHFFFAOYSA-N 357.457 4.169 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccc(C)cc3)n2)cc1OC 10696870 RXJXWJDUPVBJFO-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB Cc1ccccc1-c1noc([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)n1 12416183 QPEUBEMDDQUJRI-CYBMUJFWSA-N 353.809 4.219 0 40 FIAB Cn1ncc2c(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ncnc21 12484966 UOGVTRROBFNHOP-UHFFFAOYSA-N 362.233 4.193 0 40 FIAB O=C(Nc1ccccc1I)c1ccc2c(c1)CCC2 12850736 QFRJXCDTVUKVMJ-UHFFFAOYSA-N 363.198 4.032 0 40 FIAB Cc1ccc(-c2nc(Cn3cnc4sc(C)c(C)c4c3=O)co2)c(C)c1 12901231 OSWMZYQRDFUHRS-UHFFFAOYSA-N 365.458 4.395 0 40 FIAB CCOc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2Cl)cc1 13058060 VYXYMXJHPZGTKW-UHFFFAOYSA-N 360.885 4.426 0 40 FIAB O=C1NC(=O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)S1 13560374 QZGIBSQRUJENCA-GHXNOFRVSA-N 350.193 4.033 0 40 FIAB CSc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)C(C)C)s1 13984368 NPNXCLGOSHRXJK-NSHDSACASA-N 357.501 4.155 0 40 FIAB COc1ccc(CN(C(=O)c2cnc(Cl)c(Cl)c2)C2CC2)cc1 15034358 FDNORAXUEWEPHR-UHFFFAOYSA-N 351.233 4.202 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3c(C)cccc3C)cs2)cc1 15832510 RCUUFNWZCQQPJR-UHFFFAOYSA-N 366.486 4.431 0 40 FIAB CCN1CCc2cc(-c3cncn3[C@H](C)Cc3c(C)nn(C)c3C)ccc21 19719387 WCIGEGYTFSAQBF-OAHLLOKOSA-N 363.509 4.087 0 40 FIAB Cc1nc(NC(=O)c2ccc(F)cc2F)sc1-c1nccn1C(F)F 22472626 UQFNNLSPNKAVDR-UHFFFAOYSA-N 370.331 4.241 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 22516955 SKBYLQFESLHDED-LJQANCHMSA-N 372.440 4.008 0 40 FIAB O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCc2ccccc2C1 29504201 BQAUDVUNMYTHAX-UHFFFAOYSA-N 359.400 4.255 0 40 FIAB O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1 31663788 RHFZDWOGHXMZIM-UHFFFAOYSA-N 359.788 4.491 0 40 FIAB Cc1cc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc2[nH]1 31721892 MIWCEVGSVJZJED-UHFFFAOYSA-N 354.353 4.296 0 40 FIAB Cc1nn(C)c2ncc(NC(=O)c3ccccc3COc3ccccc3)cc12 32899798 ZIJJNOUMVVFEPG-UHFFFAOYSA-N 372.428 4.108 0 40 FIAB CCc1nnc(CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)o1 32905000 BKPTUHIBMITGDJ-UHFFFAOYSA-N 356.813 4.150 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(F)c(Cl)c2)[C@@H](c2ccc(O)cc2)C1 36358304 YAXRTDZEGJFXIY-CYBMUJFWSA-N 357.772 4.494 0 40 FIAB Cc1csc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n1 40057300 BZMUXWYCPTWGAU-UHFFFAOYSA-N 370.503 4.245 0 40 FIAB CSCc1cccc(C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)c1 40106915 JYXWQAJUUKQMEL-UHFFFAOYSA-N 354.475 4.459 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 40478356 WHALKBIQODMSOL-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078840 WSBAETLWXVUBQR-CQSZACIVSA-N 370.880 4.461 0 40 FIAB CCOC(=O)CCN(CC1CC1)C(=O)/C=C/c1cccc2ccccc12 48332752 SEVREPXAQAYVSM-OUKQBFOZSA-N 351.446 4.045 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCC(n2cccc2)CC1 58609384 VOZXOHYHWNSWLV-UHFFFAOYSA-N 352.463 4.481 0 40 FIAB C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)c3c[nH]c(=O)c(Cl)c3)c2)C1 68777316 ORCKUGYXSSUOFL-SUMWQHHRSA-N 374.868 4.376 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3c(C)nn(C(C)C)c3C)cc2)n1 72272906 VBCVYJLVONUSRD-UHFFFAOYSA-N 351.454 4.136 0 40 FIAB COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(C)C)C=C3C)[nH]c2n1 72320904 DBDBZDUDXMZOSU-BZSNNMDCSA-N 370.541 4.362 0 40 FIAB biogenic,in-vitro NC(=O)c1cccc(-c2cccc([C@H]3CCCN(C4CCCCC4)C3)n2)c1 72348540 XUFFMQBLEYUMFT-IBGZPJMESA-N 363.505 4.360 0 40 FIAB CC(C)N(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCC1 78185977 QASKYRKLTGQTKB-UHFFFAOYSA-N 353.344 4.159 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)[C@H]1C[C@@H]1c1ccco1 84017159 XWSKKPPINKKQHT-GJZGRUSLSA-N 356.809 4.274 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)[C@H]1CCCN(C2CCC2)C1 95469083 DRDXYSTUTPLKGV-ZFWWWQNUSA-N 373.522 4.094 0 40 FIAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3cccc(C)c3)n2)cc1 98212226 DGEGFUKSXVIJAN-SFHVURJKSA-N 363.417 4.031 0 40 FIAB Brc1cccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)c1 100755679 QXIGIPWWUSRRGS-ZDUSSCGKSA-N 359.252 4.158 0 40 FIAB CCc1ccccc1[C@H]1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1=S 101646677 QVZNOQCGOPFJCF-PMACEKPBSA-N 360.482 4.151 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)OCc1ncc(-c2ccccc2)o1 104176296 ZGBHCINHEMQTIP-KILAXVPQSA-N 367.445 4.106 0 40 FIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSCc1ccc(-n2cccn2)cc1 107327048 YNMLNTGNIOVRJB-JTDSTZFVSA-N 357.523 4.046 0 40 FIAB COc1cc(C(=O)Nc2cccc(C)c2C)cc(Br)c1OC 107646148 XKIXHKQJFAVNET-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)nc1)NC1(c2nccs2)CCCC1 132457564 PVEJNHDRCVEKDC-UHFFFAOYSA-N 356.373 4.148 0 40 FIAB NC(=O)c1cn(C(=O)C(c2ccccc2)c2ccccc2)c2ccccc12 216952280 RHYATIMLSITFAE-UHFFFAOYSA-N 354.409 4.213 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)cc3OC)N21 222646403 YTHBGVFCAFESIK-UPRAQXHNSA-N 369.490 4.078 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 222794962 RABUOTXTNNMQJC-PMACEKPBSA-N 362.502 4.173 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 222868214 WGARSZHGISTKLB-MSOLQXFVSA-N 357.450 4.129 0 40 FIAB COC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224966207 XVNAYWXABJTNHU-CYBMUJFWSA-N 370.836 4.427 0 40 FIAB O=C(CCc1cccc2ccccc12)Nc1ccc(N2CCOCC2)cc1 225014930 PJKAGOQUGMHDSJ-UHFFFAOYSA-N 360.457 4.248 0 40 FIAB Fc1ccccc1NC(=S)NCc1nc(-c2ccccc2Cl)no1 225818840 QQAPTNFZRAUSLG-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB CC1(c2ncc(Cl)s2)CCN(C(=O)CCc2cccs2)CC1 257329133 XIQFGQRGFIOMMS-UHFFFAOYSA-N 354.928 4.371 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2nc3ccc(F)cc3s2)c(F)c1F 408621973 OCECBRLCMWCAIO-UHFFFAOYSA-N 374.290 4.253 0 40 FIAB O=C(c1ccccc1Nc1ccc(F)cc1)N1CC[C@H](OC(F)F)C1 585080634 VYNHUBBQTQPGQO-AWEZNQCLSA-N 350.340 4.023 0 40 FIAB Cc1csc(C(=O)N2CCC(COc3ccncc3Cl)CC2)c1 1889136206 BJRYBQPBYRICFH-UHFFFAOYSA-N 350.871 4.036 0 40 FIAB COc1ncc(CN2CCCc3ccccc3N(C)c3ccccc3C2)cn1 2037988649 BWEJXFFOOSDPTG-UHFFFAOYSA-N 374.488 4.202 0 40 FIAB CCOc1ccc([C@@H]2CC(=O)n3nc(-c4ccccc4)nc3S2)cc1 1468039 OBGGRJMEZBTICY-INIZCTEOSA-N 351.431 4.221 0 40 FIAB CCc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCCC2 2271991 CGYXOLMHFCZZPP-GFCCVEGCSA-N 368.506 4.272 0 40 FIAB CSc1ccc(C(=O)c2cccc(I)c2)cc1 2392626 DPMYODBZYIZLNY-UHFFFAOYSA-N 354.212 4.244 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccnc1Cl 2635208 KEVFEFLJBWQDAM-UHFFFAOYSA-N 366.804 4.198 0 40 FIAB CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1 2759838 UXAKCKFTBZHCRI-UHFFFAOYSA-N 370.456 4.357 0 40 FIAB O=S(=O)(c1ccc(Cl)c(Cl)c1)c1snnc1-c1ccccc1 3111151 FYICUJZMVZVTIF-UHFFFAOYSA-N 371.270 4.345 0 40 FIAB COc1cccc(CC(=O)Nc2ccc(Br)cc2Cl)c1 3437599 LZFWQFBCUWKQLO-UHFFFAOYSA-N 354.631 4.292 0 40 FIAB Cn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 3442985 YVWXWJASBPPKKP-UHFFFAOYSA-N 362.907 4.429 0 40 FIAB Cc1cc(F)ccc1NCC(=O)Nc1ccc(Br)cc1C 3487005 LIOJYAGOGJOEBZ-UHFFFAOYSA-N 351.219 4.256 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CSC3)cc1 3912426 GAUNZAVAMCWYNK-UHFFFAOYSA-N 359.495 4.424 0 40 FIAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 4385253 AADLEJXDQFNUIT-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1cc(C)cc(C(=O)N(C(=O)c2cc(C)cc(C)c2)c2ncccn2)c1 4734860 FEVOTFQQXFGYJG-UHFFFAOYSA-N 359.429 4.197 0 40 FIAB COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3)C[C@H]21 4878400 FQVNKYMUYMAJBB-KNQAVFIVSA-N 357.413 4.333 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)OCc1nnc(-c2ccccc2)o1 5184275 JBDWILJAVGTAAP-UHFFFAOYSA-N 361.401 4.284 0 40 FIAB O=C(Nc1ncnc2sccc12)c1ccc(C(=O)c2ccccc2)cc1 5299400 YBPLYWGVQDTWKK-UHFFFAOYSA-N 359.410 4.175 0 40 FIAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)NC1CCCCC1 5391924 FDFOUIXQCRYFFJ-LLVKDONJSA-N 365.886 4.320 0 40 FIAB CSC1=NC(C)=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)N1 5520791 IQHYIWSRFCTXCY-SFHVURJKSA-N 351.475 4.271 0 40 FIAB O=C(CCOc1ccccc1)Nc1ncc(Cc2ccc(F)cc2)s1 5774849 ZFMZSUPNZRRMOP-UHFFFAOYSA-N 356.422 4.281 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1F 6057075 QULGOHOQBPMTOC-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C1=O 6654933 MPUBLXDXZSTXAZ-UKTHLTGXSA-N 355.843 4.194 0 40 FIAB Cc1c(C)n(CC(C)C)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 6719248 GCULVEQDSPQHTB-UHFFFAOYSA-N 362.481 4.085 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 6747688 OSIUXTCDHOZAPZ-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1OCC 7361222 MXAVJZYSLIGPFU-UHFFFAOYSA-N 363.479 4.408 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1F 7458970 JWJQCOOWKMOMFZ-JTQLQIEISA-N 363.439 4.365 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1cc(C)c2cccc(C)c2n1 7768134 MDTDVZHUAHBLMN-HNNXBMFYSA-N 368.506 4.321 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1O 7884110 IEFWARHFORRTDB-NRFANRHFSA-N 360.413 4.168 0 40 FIAB c1ccc2c(c1)oc1c(N3CCC[C@H]3c3ccc4c(c3)OCCO4)ncnc12 8131913 JPARAZMAAQPQKM-INIZCTEOSA-N 373.412 4.489 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 8939005 RLNWRXGCUGNBRM-LLVKDONJSA-N 352.203 4.303 0 40 FIAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1N 9914224 WGUYUWFNRIGGGR-JTQLQIEISA-N 367.232 4.068 0 40 FIAB COC(=O)c1cccc(NC(=O)CSCc2c(F)cccc2Cl)c1 10295475 GONWLDANGDFCLO-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1 11198304 MTLBDXJENKINEH-UHFFFAOYSA-N 371.396 4.040 0 40 FIAB CS(=O)(=O)Nc1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 11362157 DANPXFSOEOTNLT-UHFFFAOYSA-N 372.471 4.039 0 40 FIAB COc1ccc(Nc2nnc(SCC[C@H]3CCCCN3C)s2)cc1 12527673 UEBPCMUWLCMQHV-CQSZACIVSA-N 364.540 4.257 0 40 FIAB C[C@H]1CN(C(=O)[C@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@@H](C)O1 12543715 JAYYSEHOJJNLGI-ZNMIVQPWSA-N 352.434 4.022 0 40 FIAB Cc1ccc(-c2noc(CSc3nc4ccccc4n3C)n2)cc1F 12547158 MFDRDRXMMZIIKG-UHFFFAOYSA-N 354.410 4.363 0 40 FIAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CNCc1ccc(F)cc1 12659869 RQMDDMBXJIFXNQ-BAYUQKDNSA-N 357.469 4.374 0 40 FIAB biogenic O=C(Nc1ccc(OCc2cc(-c3ccco3)on2)cc1)c1ccco1 12768592 XLMYBASIOFQMHL-UHFFFAOYSA-N 350.330 4.359 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 12853646 IIJLVWVGQSDHMB-UHFFFAOYSA-N 350.443 4.239 0 40 FIAB COc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1 12998675 DBZBEOFSBWRUBH-UHFFFAOYSA-N 358.488 4.161 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c(OC)cc1Cl 13710009 NHGFRHVHDVUBNB-SNVBAGLBSA-N 370.232 4.417 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NCC1(N2CCCCC2)CCCCC1 13987855 NHCHMSDGSHJTFU-UHFFFAOYSA-N 366.908 4.327 0 40 FIAB COc1ccccc1CNC(=O)c1ccccc1SCc1cc(C)no1 14093099 LUIKPSYRIGWQSW-UHFFFAOYSA-N 368.458 4.214 0 40 FIAB COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)N(C)C 14168819 HJEWZKORHYJONF-INIZCTEOSA-N 367.276 4.035 0 40 FIAB Cc1nc2sc([C@H](c3cccc(F)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 15357139 LCHHKAQCJBIDHU-OZVIIMIRSA-N 374.485 4.011 0 40 FIAB Cc1ccc(Cl)c(O[C@@H](C)c2nn3c(=O)c4ccccc4nc3s2)c1 17076173 AAPVZAQPAYHGTI-NSHDSACASA-N 371.849 4.406 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3N3CCCC3)cc2)n1 19660079 BNGKYIFGYNITOL-UHFFFAOYSA-N 374.488 4.019 0 40 FIAB FC(F)(F)c1ccccc1CN1CCN(CCCc2ccccc2)CC1 19889617 DVZKYFFHULYTCN-UHFFFAOYSA-N 362.439 4.456 0 40 FIAB O=C(Nc1cccc2cnccc12)c1cnn(Cc2ccccc2Cl)c1 21219654 WMOIYSJNZXDQLR-UHFFFAOYSA-N 362.820 4.385 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2noc(-c3cccc(C)c3)n2)c1 21806548 PSYXSTSAQHEDEM-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB COc1ccc(CNC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22245702 LTVMKTHQGNVMAE-UHFFFAOYSA-N 371.437 4.273 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 22535026 FBMWWOHDULDOEM-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](OC(=O)[C@H](C)CC)c1ccccc1 24131928 MUFJFRUCONTSQV-DNVCBOLYSA-N 355.434 4.354 0 40 FIAB O=C(NOCc1ccccc1)c1c(-n2cccc2)sc2c1CCSC2 25285099 UHPWMJDJWSUKJL-UHFFFAOYSA-N 370.499 4.190 0 40 FIAB CCC(=O)c1ccc(OC(=O)c2cccc(NC(=O)C(C)(C)C)c2)cc1 27981898 IYUSRYYXLGYFBA-UHFFFAOYSA-N 353.418 4.483 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1)c1ccccc1 30754866 ODIRIUFTUBUWTI-WMLDXEAASA-N 359.491 4.452 0 40 FIAB C[C@@H](SC[C@H]1CCCO1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 32778806 NYSXFWVBPPKYFJ-GHMZBOCLSA-N 362.476 4.218 0 40 FIAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(Cl)c(C)nn12 36615738 ZWXWOBOQBXMAJO-UHFFFAOYSA-N 370.623 4.452 0 40 FIAB O=C(Cc1ccc(F)cc1)N1CCc2nc(-c3ccccc3F)sc2C1 36752108 SMJACCMAHZNIBG-UHFFFAOYSA-N 370.424 4.216 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(OC)cc1 38754218 NDZDOKDYNKPZKY-QFIPXVFZSA-N 363.457 4.365 0 40 FIAB CC(C)[C@H](CNC(=O)COCc1nc2ccccc2s1)c1ccccc1 40089104 KSZPKWJBHLAENO-KRWDZBQOSA-N 368.502 4.369 0 40 FIAB O=C1C[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2N1 40117524 TUZQJNZPCCLCCC-WIYYLYMNSA-N 366.436 4.299 0 40 FIAB CC(=O)Nc1cc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1F 44016120 CXAANRLWJSGCAA-NSHDSACASA-N 355.369 4.413 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44904485 XRCMPJWIQIIMHQ-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB COc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1OC1CCCC1 45585574 WOKILJDCYGJCFX-UHFFFAOYSA-N 374.525 4.056 0 40 FIAB CCCCn1c(S[C@H](C)c2nnc(C)o2)nnc1-c1ccc(OC)cc1 48186594 DDPDKTYSMBHASN-GFCCVEGCSA-N 373.482 4.299 0 40 FIAB Clc1ccc(-c2nnc(CN(Cc3ccco3)C[C@@H]3CCCO3)o2)cc1 58180167 UHRFXMMIQLUWRW-KRWDZBQOSA-N 373.840 4.164 0 40 FIAB CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(N2CCCC2=O)c1 58699828 UHWYVZXLWMMVFL-UHFFFAOYSA-N 356.853 4.129 0 40 FIAB O=C(Nc1ccc(Cl)cn1)C1(c2cccc(Br)c2)CC1 69456276 ZWRGMOSYLNXZSS-UHFFFAOYSA-N 351.631 4.168 0 40 FIAB CC(=O)Nc1cc(Cl)c2nc(-n3nc(C)cc3C)sc2c1Cl 72228990 PYJZGPRHSBDVCQ-UHFFFAOYSA-N 355.250 4.364 0 40 FIAB CN(Cc1ccccn1)C(=O)Nc1cccnc1Sc1ccccc1 78690540 XQYMBJVDPWCCNA-UHFFFAOYSA-N 350.447 4.292 0 40 FIAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C 84752685 IZNWRQQWJMOICG-SESVDKBCSA-N 367.489 4.058 0 40 FIAB CC(=O)c1ccc(O)c(NC(=O)c2cc3cc(Br)ccc3o2)c1 95465018 ALRVDSCTFDOHBZ-UHFFFAOYSA-N 374.190 4.356 0 40 FIAB CC1(C)C[C@@H](NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)CCO1 95475621 XTONVRDRXGIJOV-MJGOQNOKSA-N 374.912 4.389 0 40 FIAB O=C(O)[C@H](O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 96028934 QFDZZZLJDKSWSE-HXUWFJFHSA-N 364.466 4.157 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@@H](OC)c1ccsc1 96097414 NWMDOSWXKZYUKV-GOSISDBHSA-N 355.459 4.418 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 96625624 GMCDNWORFIQLEZ-UHFFFAOYSA-N 374.887 4.050 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)N1[C@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 100166255 IKQBVBCRAZQDLL-OALUTQOASA-N 367.420 4.148 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1nc(C2CC2)n(-c2ccccc2)n1 102211209 DQQKVMFILSCOHW-UHFFFAOYSA-N 372.350 4.416 0 40 FIAB CC(C)C(=O)NC[C@H]1CCCN([C@H]2CCc3c(Cl)cc(Cl)cc32)C1 107533992 CQUSTFONQRXFHY-ACJLOTCBSA-N 369.336 4.465 0 40 FIAB CCc1ccc(OCC(=O)N(C)C2CCCCC2)c(Br)c1 216263748 RWXZOEBKRAEQNN-UHFFFAOYSA-N 354.288 4.181 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC(C)C 222751228 KUZNJOBUVNIJNM-MRXNPFEDSA-N 373.324 4.425 0 40 FIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1cccnc1 223447859 MAJNTTFWPJAIJT-SJORKVTESA-N 366.515 4.019 0 40 FIAB CCOc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)c(N)c1 226349770 FFGIYQITTRCEAL-UHFFFAOYSA-N 355.221 4.235 0 40 FIAB O=C(c1cncs1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257327256 XARORERFUXDFOK-HNNXBMFYSA-N 373.865 4.353 0 40 FIAB Nc1ccccc1SCC(=O)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 408531051 LQZXIQQFMAJNIY-YJBOKZPZSA-N 366.511 4.363 0 40 FIAB O=S(=O)(Nc1nc2cc(Cl)ccc2s1)c1cccc(Cl)c1 524298007 KGEATPMDXPEPPZ-UHFFFAOYSA-N 359.259 4.404 0 40 FIAB CC(=O)N(CCc1noc(C[C@@H]2C[C@@H](C(C)C)c3ccccc32)n1)C(C)C 585084259 UEMJRMQMPFGUPI-PXNSSMCTSA-N 369.509 4.339 0 40 FIAB Cc1cc(C)nc(N2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)n1 585100127 GFYFIUXRBQWVIY-QFIPXVFZSA-N 370.541 4.025 0 40 FIAB O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CC[C@@]2(C1)CC2(F)F 653005059 CYRWXDGCJBLNOR-IBGZPJMESA-N 353.372 4.101 0 40 FIAB Cc1c(-c2ccccc2)[nH]c2cccc(I)c2c1=O 685938547 NVIJZPNYABSOTL-UHFFFAOYSA-N 361.182 4.108 0 40 FIAB O=C(NCc1ccc(C2CC2)nc1)c1cccc(OCc2ccccc2)c1 1565523239 JZHOZMXKOCAXSI-UHFFFAOYSA-N 358.441 4.468 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1 712779 VOYOKTYMEHICLN-IBGZPJMESA-N 352.434 4.043 0 40 FIAB biogenic Cc1cccc(C)c1OCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 802336 BCRBOISTTLVWDF-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB CCCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)s1 815613 CKXOWRRUYLSLMQ-QMMMGPOBSA-N 360.266 4.203 0 40 FIAB O=C(Cc1ccc(Br)cc1)Nc1ccc(Br)cc1 862258 NIYPINMAZGVRJK-UHFFFAOYSA-N 369.056 4.393 0 40 FIAB CCC(=O)Nc1sc(C(=O)Nc2cc(C)cc(C)c2)c(C)c1C(=O)OC 871329 JTWWFTXGRLZUKM-UHFFFAOYSA-N 374.462 4.061 0 40 FIAB O=C(CCSc1nc2ccccc2s1)n1c(=O)oc2ccccc21 1275452 IMZWKTVXATWNLL-UHFFFAOYSA-N 356.428 4.027 0 40 FIAB O=C1[C@@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1C1CCCCC1 1443248 LVDKTQXCQGIPRP-HOCLYGCPSA-N 366.939 4.216 0 40 FIAB O=C1C[C@H](c2ccccc2Cl)Cc2c1cnn2-c1nc2ccccc2[nH]1 1459838 YSBYATNABVTAKP-GFCCVEGCSA-N 362.820 4.315 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCCC[C@@H](C(=O)Nc2ccccc2)C1=O 1710578 YQIUJBKGGXUMMG-RTBURBONSA-N 364.445 4.029 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 1961968 IYXZJYXIESEHMF-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 2260559 BWCAEEOFTRVQSB-UHFFFAOYSA-N 372.515 4.329 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c(C)c1 3008377 QUARCQAGGNKQGT-UHFFFAOYSA-N 363.486 4.417 0 40 FIAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OC(C)C 3317942 PUXLCKHBEDGORV-UHFFFAOYSA-N 362.809 4.176 0 40 FIAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21 4026174 ZZLUZIDJVCYWKL-DZGLEASBSA-N 374.521 4.345 0 40 FIAB biogenic CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC5(C4)OCCO5)C3=CC[C@@]21C 4073497 IABDMPHKMZWPIN-MLNNCEHLSA-N 354.490 4.121 0 40 FIAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCC2 4079551 TUAPJNQRHAGXEY-UHFFFAOYSA-N 373.474 4.453 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2C)cc1 4130440 CEOYTZPKJXBSKL-OAHLLOKOSA-N 366.490 4.218 0 40 FIAB Cc1ccccc1-c1nsc(SCC(=O)Nc2cccc(F)c2)n1 4167446 QWVPUOXLNSQRAL-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB Clc1ccccc1CSc1ccc2nnc(-c3ccncc3)n2n1 4328129 RMZRPKPHOMBLRI-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB COc1cccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1 4346986 ITIKDGAPYJTRIK-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB CC(C)(C)c1ccc(COC(=O)C[C@H](CC(N)=O)c2ccccc2)cc1 4721153 PPIUGRZFEXWKAU-SFHVURJKSA-N 353.462 4.077 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@H]32)C1 4731244 GWZAVXCYXHGFFE-QIRQPCKNSA-N 372.505 4.217 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)c(C)c1 5215469 OYNAIKYWBSJWTA-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Cc1ccc(C)c(-c2ccc(SCC(=O)Nc3nc(C)cs3)nn2)c1 5411880 PPLFWHUCUBVNJW-UHFFFAOYSA-N 370.503 4.256 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2Cl)CC1 5425801 DBPDHFWBWJNZSI-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB O=C(CCCC(=O)OCC(F)(F)F)Nc1ccc(Cl)cc1Cl 5749466 JIJVFRNRYYVDQF-UHFFFAOYSA-N 358.143 4.208 0 40 FIAB CC(C)c1ccccc1-n1c(-c2ccccc2)cnc1SCC(N)=O 5968248 NNBZWCGCNDRJGX-UHFFFAOYSA-N 351.475 4.240 0 40 FIAB COc1ccccc1-n1cnnc1SCCCC(=O)c1cccs1 6082013 XVVUSFYWZJFOLF-UHFFFAOYSA-N 359.476 4.093 0 40 FIAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(C)cc2)cc1 6630451 IBGGTMAXRDCRRA-UHFFFAOYSA-N 374.440 4.414 0 40 FIAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 7785800 PIGPTHGHFJNPTL-ROUUACIJSA-N 364.449 4.140 0 40 FIAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1cc2ccccc2nc1Cl 7985123 WNLPRNLQHVGZQR-UHFFFAOYSA-N 371.868 4.423 0 40 FIAB Cc1ccc(CC(=O)NCCCCCc2nc(-c3cccs3)no2)cc1 8013698 RKLNWUYLGLVYQW-UHFFFAOYSA-N 369.490 4.178 0 40 FIAB CC(CNC(=O)COc1ccccc1F)(c1ccccc1)c1ccccc1 8117267 YJWKGVRREWXVFG-UHFFFAOYSA-N 363.432 4.327 0 40 FIAB COc1ccc(CCN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)cc1OC 8144289 DUBPLMJCUKIYGK-AWEZNQCLSA-N 373.518 4.205 0 40 FIAB c1ccc(-n2c(SCc3ccc4c(c3)OCO4)nnc2C2CC2)cc1 8390296 AWZBVVXOSBARPZ-UHFFFAOYSA-N 351.431 4.166 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 8497879 BMYGTMCQEFEVQZ-INIZCTEOSA-N 368.477 4.238 0 40 FIAB O=C1CCSc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2N1 10489610 XIOGCYSFKJDAQK-UHFFFAOYSA-N 350.802 4.166 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nnc(Cc3cccs3)o2)cc1 11694632 JIKBJZGAQPZWHJ-UHFFFAOYSA-N 357.435 4.153 0 40 FIAB COc1ccc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1 11708902 ISTQPYSQUSVLFW-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1ccccc1OC)c1ccccc1Cl 11917286 RJTBNQGKLBYREH-SFHVURJKSA-N 360.885 4.162 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 14399801 UYYBKZCRWYOUGS-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB NC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 15581160 VJCFRMQTBBFCQP-UHFFFAOYSA-N 373.437 4.315 0 40 FIAB Cc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 17135952 QTBPFQBZRVMHNP-UHFFFAOYSA-N 374.469 4.436 0 40 FIAB O=c1c(CN(Cc2ccccc2F)C[C@@H]2CCCO2)coc2ccccc12 19348734 JRDPQCYPPRYWMF-SFHVURJKSA-N 367.420 4.113 0 40 FIAB C[C@@H]1CCN(C(=O)c2cncc(Br)c2)c2ccccc2S1 22256056 NKBTZEDDRHEWBE-LLVKDONJSA-N 363.280 4.375 0 40 FIAB c1coc(-c2cc(CN3CCN(Cc4cccc5ccccc45)CC3)no2)c1 22790456 BZMMOIYUOSVGRY-UHFFFAOYSA-N 373.456 4.406 0 40 FIAB CC(C)OCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 23141627 GAIMNCRYVPIDLB-UHFFFAOYSA-N 354.450 4.458 0 40 FIAB CCOc1cc(/C=C/C(=O)N(C)Cc2ccsc2)cc(Cl)c1OC 24384326 XCMOQRVGYSBOPP-AATRIKPKSA-N 365.882 4.481 0 40 FIAB CC(=O)c1cccc(OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 24584943 ZJVRNIGACQMODN-AWEZNQCLSA-N 355.459 4.186 0 40 FIAB Cc1cc(C)cc(N[C@@H](c2ccc(OC(F)F)cc2)P(=O)(O)O)c1 24769725 ONEQRTZDJVTDFG-OAHLLOKOSA-N 357.293 4.193 0 40 FIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NOCc2ccccc2)s1 25286875 CZGVTKSQEAKJSJ-UHFFFAOYSA-N 356.422 4.048 0 40 FIAB COc1ccc2ccc(OC(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)cc2c1 25905589 BHZCCWSHBROLDL-SFHVURJKSA-N 365.360 4.019 0 40 FIAB CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27664280 WKRVMPWLUKBBMS-LJQANCHMSA-N 372.896 4.306 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCC)cc1C 27741046 ZDVBDLIMGVZGAS-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB CCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289289 RSDLSTZTZHZNLZ-HXUWFJFHSA-N 368.521 4.416 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc2ccccc2c1 30397640 IOXRXTKBAHGXDZ-BEFAXECRSA-N 368.477 4.417 0 40 FIAB Cc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1C 32097326 JMVQHCYALHZWBT-CQSZACIVSA-N 367.840 4.365 0 40 FIAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(Nc2ccccc2)cc1 32904335 KNFVIJDERGKWFP-FQEVSTJZSA-N 373.412 4.159 0 40 FIAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1F 32930336 MBJUIOCGCAKLSS-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3c(C)noc3n2)cc1 36614252 RJDCOLQLXKWXAD-CYBMUJFWSA-N 365.433 4.079 0 40 FIAB COc1cc(C(=O)OCc2ccccc2C)ccc1OCc1cscn1 40066950 YKURWZPDKUGHPN-UHFFFAOYSA-N 369.442 4.396 0 40 FIAB CCOC(=O)COc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 40074596 NCEIDAKSOQXJFX-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CCn1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccc2)c(C)n1 44901698 FVBYDAWBDVFBQE-SFHVURJKSA-N 367.478 4.130 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1nnc(-c2cc(C)oc2C)o1 56905815 ZXYANOJDKRLTEA-UHFFFAOYSA-N 362.773 4.252 0 40 FIAB CCOc1cc(F)ccc1NC(=O)NC1CCN(CC2CCCC2)CC1 58407482 WNMPTFIDFCFOQS-UHFFFAOYSA-N 363.477 4.001 0 40 FIAB Cc1c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc(=O)n1C1CCCCCC1 59707475 BFQBBACJEGGNRB-UHFFFAOYSA-N 371.868 4.338 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C[C@H](C)O)c1ccccc1 65514905 FUBPTGLOGHVYJN-HNNXBMFYSA-N 355.869 4.222 0 40 FIAB Cc1cc(SCC(=O)Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1 67257452 SSJASDYLFFMGMZ-UHFFFAOYSA-N 371.412 4.461 0 40 FIAB O=C(Nc1cccnc1Cl)N(Cc1cccs1)C[C@@H]1CCCO1 68578910 KLORNJACSCMQDW-LBPRGKRZSA-N 351.859 4.010 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)nc2)o1 70005774 XHBQIBBCNLQLRN-QAPCUYQASA-N 353.466 4.360 0 40 FIAB COc1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)c(Br)c1 71853664 GTGVONVCPTZGCL-LLVKDONJSA-N 364.239 4.417 0 40 FIAB Cc1cccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)c1 78441980 ILJKGPBBFKIHKD-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB Cc1nc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cs1 84272026 UDEMNWQPEIRCSQ-UHFFFAOYSA-N 364.511 4.102 0 40 FIAB CCN(CC)CCn1cc(N[C@H](C)c2cc(Cl)c(N)c(Cl)c2)cn1 95992462 URXYDFFNBHCXHH-GFCCVEGCSA-N 370.328 4.287 0 40 FIAB CC(C)NC(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 96154323 ZVDDLAQXWRDWOL-UHFFFAOYSA-N 365.364 4.427 0 40 FIAB COc1ccccc1[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)OC 96385385 JKDKGGWYAVHYFL-INIZCTEOSA-N 368.355 4.223 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 97165276 MCWYNIBCVQTIQU-SFHVURJKSA-N 371.868 4.097 0 40 FIAB c1ccc(CN[C@H]2CC[C@H]3S[C@H]2CC[C@H]3NCc2ccccc2)cc1 101171728 LLRPUFMACFGFPY-COPRSSIGSA-N 352.547 4.361 0 40 FIAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)c(OC)c1 187957056 QCMLUCBVHOSZPC-UHFFFAOYSA-N 369.845 4.368 0 40 FIAB CCCSc1nnc(NC(=O)CSCc2ccccc2F)s1 222615346 GBBMBVFTJYBDIY-UHFFFAOYSA-N 357.501 4.051 0 40 FIAB COc1ccc(-c2ncc(C(=O)Nc3ccccc3SC)c(C)n2)cc1 223145709 DDSGSTRBJQJBFF-UHFFFAOYSA-N 365.458 4.435 0 40 FIAB COc1ccc(CCCNC(=O)C2(c3ccccc3)CCCC2)cc1OC 224405002 LSRKETCPDVMIDE-UHFFFAOYSA-N 367.489 4.265 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCOc2ccc(Cl)cc2)c1 224424355 FTFZYAVTQCQJFF-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB O=C(c1cccs1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262556 LRRWKQLMYWDXCH-OQLLNIDSSA-N 371.512 4.454 0 40 FIAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1 225264270 HXPOXIAIVWXOEP-LBPRGKRZSA-N 350.871 4.103 0 40 FIAB O=C(c1ccccc1Oc1ccccc1)N1CC[C@@H](Oc2ccccn2)C1 238836289 GUBVQFBIVXQIFK-GOSISDBHSA-N 360.413 4.167 0 40 FIAB Cc1cccc(O[C@H]2CCN(C(=O)Cc3ccc(SC(C)C)cc3)C2)n1 238840642 HTMXADQQHBQNRU-SFHVURJKSA-N 370.518 4.113 0 40 FIAB CCCCC/C=C/C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)N(C)C 299888232 BBJRTSLPWQUASB-LHXLXQNRSA-N 363.542 4.162 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)CC1 408707561 OJMYDRZNSSUKFQ-IPJUCJBFSA-N 358.526 4.018 0 40 FIAB COc1ccc(CCCC(=O)N[C@@H]2NC(c3ccccc3)=CS2)cc1C 408907626 BVXNYLAGXRDRNZ-NRFANRHFSA-N 368.502 4.061 0 40 FIAB C[C@H](NCCCCN(C)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 532479214 YVKHZCOKLRWTMZ-KRWDZBQOSA-N 351.494 4.139 0 40 FIAB O=C(c1cc2ccccc2s1)N1CC[C@H](Oc2ccncc2Cl)C1 575604979 DRKFNCWIEBSFMA-ZDUSSCGKSA-N 358.850 4.243 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc2ncsc2c1)c1cc2ccccc2o1 575620022 HPPQKJJMEWALJL-MRXNPFEDSA-N 365.458 4.075 0 40 FIAB CCN(CC)C(=O)c1cccc(N[C@@H]2CCc3c2ccc(OC)c3F)c1 585083706 VZRPVUDQXQHOTH-GOSISDBHSA-N 356.441 4.416 0 40 FIAB O=C(Nc1nc([C@H]2CCCN2Cc2ccccn2)cs1)c1ccccc1 585268828 ZYFRPXGXMJTYLT-GOSISDBHSA-N 364.474 4.128 0 40 FIAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242820 SMRRRZPDAFWGRU-TWWGPRNNSA-N 369.484 4.071 0 40 FIAB CCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1 778566 CWKAMDYAZQXJBS-UHFFFAOYSA-N 353.374 4.016 0 40 FIAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)OC3CCCCC3)n21 882959 VWCRHCRVKUFEPK-UHFFFAOYSA-N 371.506 4.204 0 40 FIAB CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(OC)c1 1061378 ABKKDJGCCVCVEJ-UHFFFAOYSA-N 369.339 4.374 0 40 FIAB Cc1cc2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc12 1223178 SUXXNJBESWCQBU-GJZGRUSLSA-N 368.506 4.073 0 40 FIAB C[C@]1(C(=O)Nc2scc(-c3ccccc3)c2C(N)=O)CC1(Cl)Cl 2104794 RZAYRZMLWQJPQK-OAHLLOKOSA-N 369.273 4.036 0 40 FIAB CC(C)(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2386113 RPLVCXKSSXJFDS-LJQANCHMSA-N 367.445 4.415 0 40 FIAB CCOc1ccc2nc(NC(=O)c3cc(OC)c(C)c(OC)c3)sc2c1 2650664 HVXJJWMZRWZYBU-UHFFFAOYSA-N 372.446 4.273 0 40 FIAB COC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CC[C@H](C(C)(C)C)C2 2748534 DLUOMOAAYVCOQZ-QMMMGPOBSA-N 363.401 4.187 0 40 FIAB CCc1c(C)nn2c(c1C)c(-c1ccccc1)[n+]1c(C)c(CC)c(C)nc21 3111482 JHSMPCJZVLBZGX-UHFFFAOYSA-N 359.497 4.493 0 40 FIAB C[C@@H](OC(=O)c1oc2ccccc2c1CSC1CCCCC1)C(N)=O 3421547 FVZNXYBJTOJCLY-GFCCVEGCSA-N 361.463 4.029 0 40 FIAB Cc1sc2nc(-c3cccnc3)nc(NCC(C)(C)CN(C)C)c2c1C 3459630 MVCQVXTUENYWDG-UHFFFAOYSA-N 369.538 4.370 0 40 FIAB COC(=O)c1sccc1NC(=S)N1CC=C(c2ccccc2)CC1 3906880 OTWBWURPEWAMKZ-UHFFFAOYSA-N 358.488 4.021 0 40 FIAB COc1ccc(CNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 4049845 YSSARJFUIRUSSZ-UHFFFAOYSA-N 350.443 4.332 0 40 FIAB Cc1sc2nc([C@@H](C)OC(=O)c3cc4c(s3)CCC4)[nH]c(=O)c2c1C 4274931 ZZMMKVWLRLNKBB-SECBINFHSA-N 374.487 4.070 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1c(F)cccc1Cl 5252324 CWXIUDFEXXENIW-UHFFFAOYSA-N 372.827 4.421 0 40 FIAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cccc(F)c1 5358764 IVBQHBFWLSQSRV-UHFFFAOYSA-N 374.466 4.211 0 40 FIAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccccc1C(F)(F)F 5483770 TWPWQVXLSBTBHG-UHFFFAOYSA-N 366.364 4.111 0 40 FIAB CCOc1ccccc1/C=C/C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 6009615 GGKSZEFGPVIRBO-OUKQBFOZSA-N 363.413 4.314 0 40 FIAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1 6615775 CVLAHFCQNWQRSY-UHFFFAOYSA-N 373.909 4.457 0 40 FIAB Cc1cc(Br)ccc1NC(=S)Nc1ccc2c(c1)OCO2 6963937 GPTRXOGXSRBNQY-UHFFFAOYSA-N 365.252 4.295 0 40 FIAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CCc1c[nH]c2ccccc12 7059442 IQLVRDMJCUGRFU-UHFFFAOYSA-N 358.388 4.361 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCOc2ccccc21 7268893 BBUQVUANSMDEDV-IAQYHMDHSA-N 366.244 4.401 0 40 FIAB C[C@@H](NC(=O)CN1CCSc2ccccc21)c1cc2ccccc2o1 7355575 FEQYMHZAGXBRSX-CQSZACIVSA-N 352.459 4.222 0 40 FIAB Cc1cc(=O)n2c(n1)NC(Nc1ccc(C(C)C)cc1)=N[C@H]2c1ccccc1 7495785 MRXXDKIGFZIWBC-HXUWFJFHSA-N 373.460 4.116 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1nnc(SCc2ccccc2)s1 7688041 FVCYUPKLRMYFRT-VAWYXSNFSA-N 353.472 4.482 0 40 FIAB O=C(CSc1ccccc1)NCc1ccccc1CN1CCCCC1 7850478 BVRWOXSVUFWGDV-UHFFFAOYSA-N 354.519 4.081 0 40 FIAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1Cl 7927203 SUXMBJMDQFIILI-AWEZNQCLSA-N 364.898 4.021 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 8041664 BLPZXBPYGNZFKT-MRXNPFEDSA-N 355.434 4.358 0 40 FIAB COc1ccccc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8073023 AEYZKRGWNAXBLV-UHFFFAOYSA-N 361.445 4.031 0 40 FIAB Cn1c(CNC(=O)CC(c2ccccc2)c2ccccc2)nc2ccccc21 9378344 IRWWAFXGYMMSCL-UHFFFAOYSA-N 369.468 4.412 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 10338576 DXCQVVMGIJXHGO-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB CCc1cc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)sc1C 11456821 DBEBNHHDOCJNQR-UHFFFAOYSA-N 370.396 4.163 0 40 FIAB CCOc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(C)n1 11613254 VTIHGEDYXGNWLR-UHFFFAOYSA-N 366.396 4.319 0 40 FIAB COc1cccc(-c2cc(CC(=O)Nc3ccccc3SC)no2)c1 11693181 BGNGEKAWEAIUER-UHFFFAOYSA-N 354.431 4.253 0 40 FIAB CCOC(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)OCC 11865311 HCIRGCXDVVZGEP-UHFFFAOYSA-N 354.402 4.238 0 40 FIAB biogenic O=C(Nc1nc(-c2ccccn2)cs1)c1ncoc1-c1cccs1 12338291 NENYPMODTNZBSL-UHFFFAOYSA-N 354.416 4.174 0 40 FIAB O=C(CNc1ccc(C(F)(F)F)cc1)N1CCSc2ccccc21 12561803 HDRHEEGEKYXXOO-UHFFFAOYSA-N 352.381 4.256 0 40 FIAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1F 12614801 LNUBRWMHLRNKTA-UHFFFAOYSA-N 356.422 4.196 0 40 FIAB Cc1cc(NC(=O)COc2cccc3cccnc23)ccc1Br 14737473 KWVHBYYJLHTQOB-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)o2)cc1C 20196858 RTEQIUBOYYHDBD-UHFFFAOYSA-N 371.437 4.147 0 40 FIAB CC1CCN(Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1 20893147 JBHBAEDOEXMZOF-UHFFFAOYSA-N 368.525 4.324 0 40 FIAB Cc1cc(NC(=O)c2cccc(F)c2)cc(C)c1I 21595503 WHAQGZUEUAEINN-UHFFFAOYSA-N 369.177 4.299 0 40 FIAB CCCc1n[nH]c(Sc2nc3c(Cl)c(C)nn3c3ccccc23)n1 22420845 ZQBJNDBCJQXFEM-UHFFFAOYSA-N 358.858 4.066 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1OC 22519637 UOTVJYWNELFXED-HZPDHXFCSA-N 371.477 4.472 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCCc1ccc(Cl)cc1 22527694 SXIFNVKSYNFXTM-IBGZPJMESA-N 361.869 4.255 0 40 FIAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2cccc(C)c2C)c1 28183341 UHKKCOKOGHYUIM-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB CCc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1 32578673 RQVBSKXCSRVBLO-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cc1C 32578678 CSFODPKDEUEMOO-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Br)cc2F)cc1 32752810 PJWFWYHYRKMMCI-LLVKDONJSA-N 366.230 4.430 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@H](C)c2cc3ccccc3o2)c1C 32754480 DCRNTXRRWQTWPM-CQSZACIVSA-N 368.433 4.040 0 40 FIAB O=C(NCc1cc(F)cc(F)c1)c1sc2ncccc2c1-n1cccc1 33297996 GTOGYXJFPGROID-UHFFFAOYSA-N 369.396 4.295 0 40 FIAB Cc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 35648346 XLZODVCJINYNHZ-SFKKXYGYSA-N 369.467 4.022 0 40 FIAB O=C(c1cc(Br)cc(Br)c1Cl)N1CCCC1 41127298 QVWRROMJNWBOIO-UHFFFAOYSA-N 367.468 4.101 0 40 FIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2cc(Cl)ccc2C)cc1C 57510751 FXBBZNTVAVBNGW-UHFFFAOYSA-N 355.829 4.379 0 40 FIAB CC(C)c1csc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)n1 58015047 KLHRMKQGNQJPQI-UHFFFAOYSA-N 372.368 4.081 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2Cc2ccn(-c3ccccc3)n2)c1 58151169 BNKFIAOIUNFOFH-OAQYLSRUSA-N 363.461 4.227 0 40 FIAB Cc1ccc(C)c(OCc2nnc(SCc3nc4ccccc4[nH]3)o2)c1 58293597 HNXBHIXSCFZHTM-UHFFFAOYSA-N 366.446 4.434 0 40 FIAB CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(C)c(CC)s2)cc1 60091754 TXTDOXKRNPVDEF-UHFFFAOYSA-N 366.508 4.023 0 40 FIAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)ccc1O 71279317 IDLCHYKPXVFPNH-MRXNPFEDSA-N 359.451 4.304 0 40 FIAB Clc1ccc([C@@H]2CN(Cc3cccc(-n4cccn4)c3)CCO2)cc1 71419584 PGHCKGOGLKUHRV-FQEVSTJZSA-N 353.853 4.099 0 40 FIAB Nc1nc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc3c(c2)OCO3)n1 71977927 RZSXPQBNZBAJFW-UHFFFAOYSA-N 360.200 4.428 0 40 FIAB Cc1cc(-c2cnc(N3C[C@@H](C)O[C@H](C)C3)nc2-c2ccc(C)s2)on1 72337392 NISARHOANDYHCE-CHWSQXEVSA-N 370.478 4.091 0 40 FIAB Cn1cc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cn1 72358130 PRUYVGZBZTUSDK-OAQYLSRUSA-N 366.896 4.396 0 40 FIAB Cc1nnc(Nc2cncc([C@@H]3CCCN3Cc3ccccc3C)n2)s1 72376312 XESWQWRKEXUGFG-KRWDZBQOSA-N 366.494 4.026 0 40 FIAB C[C@@H](Cc1ncc[nH]1)OCc1cn(-c2ccccc2)nc1-c1ccccc1 89904130 YIGGKFWNFFKMKX-KRWDZBQOSA-N 358.445 4.410 0 40 FIAB CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 96904562 MAZMFIUTSYKEDU-HRKXOBMBSA-N 364.489 4.240 0 40 FIAB Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)c1 100423615 LHDQWAIRSMDBRU-QZTJIDSGSA-N 369.534 4.378 0 40 FIAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 102888377 WHKWALOBTNYKKI-VGWMRTNUSA-N 354.475 4.021 0 40 FIAB CCn1c(C)c(C(C)(C)C)s/c1=N/S(=O)(=O)c1ccc(Cl)cc1 105833046 XOIRUHWXJYQXOR-OBGWFSINSA-N 372.943 4.118 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccccc1C 219289491 MODWBVBOWORESA-FUHWJXTLSA-N 353.462 4.489 0 40 FIAB C[C@@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc2c(c1)OCCO2 222734043 RNHBBWAQNKOLRZ-OAHLLOKOSA-N 369.461 4.012 0 40 FIAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222757149 UKQNQLJCNVRHGM-ZWKOTPCHSA-N 353.422 4.083 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccccc2C)cc1Cl 224119008 PNNKETQJYCXEJA-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(Cl)cc3F)n2)c1 224688244 NKMHIQMTMVHENU-UHFFFAOYSA-N 359.788 4.110 0 40 FIAB O=C(O)[C@@H](Cc1ccc(Br)cc1)Oc1ccccc1Cl 225065375 KRPDIRFKMJNAIN-CQSZACIVSA-N 355.615 4.177 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)c(C)c1 225799040 JGLPZXOHPHQQTE-ZDUSSCGKSA-N 353.871 4.005 0 40 FIAB O=C(O)c1cc(Cl)c(OCc2cccc(Br)c2)cc1O 226346737 ZRCDAFOMRPBVSH-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB CSc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 408612258 VBXAOLKRMVMGFX-UHFFFAOYSA-N 366.530 4.071 0 40 FIAB Cc1ccc(CCC(=O)N2Cc3ccccc3[C@@H](c3cnn(C)c3)C2)cc1C 585410170 WULBGLFTQHHNPN-HSZRJFAPSA-N 373.500 4.144 0 40 FIAB CC1(C)[C@]2(C(=O)N3CCC[C@@H](c4ccc(F)cc4)CC3)CC[C@@]1(C)C(=O)O2 1331523083 CLZGUQIOECVBSN-KBJGYGKASA-N 373.468 4.044 0 40 FIAB Cc1cc(C)cc(OS(=O)(=O)c2ccc(Br)c(C)c2)c1 1474765078 AXFOLCVEDQZTCL-UHFFFAOYSA-N 355.253 4.142 0 40 FIAB C[C@H](C(=O)Nc1ccccc1OC1CCCC1)n1ccc(C(F)(F)F)n1 1534186806 YYEWYMIHXPBGRC-GFCCVEGCSA-N 367.371 4.423 0 40 FIAB Cc1ccc(-c2ccc(C(=O)N3CC[C@H](C)c4cccc(O)c43)cc2)nn1 1638060432 ZHVSTORDOWLJAC-AWEZNQCLSA-N 359.429 4.312 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3C[C@H]2C)o1 882267 AQYQYUDVYWHFGE-CQSZACIVSA-N 365.458 4.115 0 40 FIAB CC(C)C(=O)N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 973345 JXTDDEJCCDPIGB-NSHDSACASA-N 367.685 4.388 0 40 FIAB COc1ccc(-c2nnc(SCc3cccc4ccccc34)n2N)cc1 2207243 DARGYPVPIRPKQG-UHFFFAOYSA-N 362.458 4.113 0 40 FIAB CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3OCC)nc2c1 2221790 VPHDBHWXYVALMY-UHFFFAOYSA-N 371.462 4.091 0 40 FIAB CCCCCCn1c(N)c(C(=O)NCC(C)C)c2nc3ccccc3nc21 2372011 SXWQBZIFGOVUIT-UHFFFAOYSA-N 367.497 4.133 0 40 FIAB CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cnccn1 2395593 YBECESRULSXHAZ-UHFFFAOYSA-N 366.277 4.354 0 40 FIAB O=C(CSc1nccn1-c1cccc(Cl)c1)N1CCc2ccccc21 2468245 NHTMJEBCCYHFJL-UHFFFAOYSA-N 369.877 4.207 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 2623230 JZXRSMOAQJPEIW-UHFFFAOYSA-N 373.449 4.271 0 40 FIAB O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)NC1CCCCC1 2806460 YAOCVZJXXXESKH-UHFFFAOYSA-N 361.898 4.338 0 40 FIAB OCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2974751 IFKWLBZYMBOKGJ-UHFFFAOYSA-N 364.836 4.145 0 40 FIAB CC[C@H](COC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)OC(C)C 3149656 GYAFVFAGJZOFGN-SNVBAGLBSA-N 363.241 4.455 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 4676083 NXABHEBOBMFRQC-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB Cc1nn(CC(=O)Oc2ccc3ccccc3c2)c(C)c1Br 4988379 HBIPAMABRRDJCT-UHFFFAOYSA-N 359.223 4.021 0 40 FIAB COCc1c(C(=O)Nc2cc(OC)c(OC)cc2C)oc2ccccc12 5616611 RUYLJZKWPVZEGL-UHFFFAOYSA-N 355.390 4.157 0 40 FIAB Cc1sc2ncn3nc(-c4cc(-c5ccc(F)cc5)[nH]n4)nc3c2c1C 6413301 PHZIHCVEQZKRQW-UHFFFAOYSA-N 364.409 4.152 0 40 FIAB COCCc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 7062652 JPNHWGYUZHYBOK-UHFFFAOYSA-N 354.233 4.200 0 40 FIAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1ccc(F)c(F)c1 7975831 ZIDMTPKMERTYBC-UHFFFAOYSA-N 362.710 4.270 0 40 FIAB CC(C)[C@@H](NC(=O)N(C)C[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 9871122 ACNFXIFOTXOCNO-YLJYHZDGSA-N 372.440 4.004 0 40 FIAB COc1cccc(C2(NC(=O)CCn3cnc4ccccc43)CCCC2)c1 12117313 LAQMNMMCSAAZLZ-UHFFFAOYSA-N 363.461 4.021 0 40 FIAB CCc1[nH]c2ccc(C(=O)N(C)c3ccc4c(c3)OCCO4)cc2c1C 12206304 RCPPIVJTPHDSJK-UHFFFAOYSA-N 350.418 4.087 0 40 FIAB COc1ccc2[nH]c(CN3CCC(O)(c4ccccc4F)CC3)c(C)c2c1 12240442 OYCQWRHBNAMVJS-UHFFFAOYSA-N 368.452 4.108 0 40 FIAB O=C(NCc1ccncc1)c1ccccc1-c1ncc(-c2ccccc2F)o1 12521825 GUSGOOIETMURSC-UHFFFAOYSA-N 373.387 4.473 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(Cl)c(N)c1 12653750 VNQLIMPBSFXHNV-IFIJOSMWSA-N 367.873 4.083 0 40 FIAB Cc1cc(NC(=O)CCN(Cc2ccc(F)cc2)C2CCCCC2)no1 12766702 TWMRFRDGFNMBSF-UHFFFAOYSA-N 359.445 4.286 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)c12 12781326 GHTRLFJIFIHELM-SECBINFHSA-N 357.360 4.178 0 40 FIAB CCc1ccc2c(CN(C)CCOc3ccccc3F)cc(=O)oc2c1 12793213 MWNBWZQPBVIMPR-UHFFFAOYSA-N 355.409 4.005 0 40 FIAB Cc1ccc2c(CC(=O)NC[C@H](c3cccs3)N(C)C)coc2c1C 12986719 LQGYNCJCLJMQSS-QGZVFWFLSA-N 356.491 4.073 0 40 FIAB Clc1ccc(Nc2nc(NCc3ccco3)nc3nccnc23)cc1 13010709 MDTIPYPWFPQGQO-UHFFFAOYSA-N 352.785 4.022 0 40 FIAB Cc1cc(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)ccc1Cl 13167794 PCIXASJFMOKGHE-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB CC[C@H](C)NC(=O)CC12CC3CC(C1)CC(CC(=O)N[C@H](C)CC)(C3)C2 15906760 NPNUTFMKWBAEBC-CMXHAEJISA-N 362.558 4.183 0 40 FIAB CO[C@H](C(=O)NCCSCc1c(F)cccc1Cl)c1ccccc1 16194327 YTRAFTUZTNOMRR-KRWDZBQOSA-N 367.873 4.216 0 40 FIAB Cn1ncc2c(Nc3ccccc3)nc(NCc3ccccc3Cl)nc21 17148979 SRNAZRFXKFZAJJ-UHFFFAOYSA-N 364.840 4.372 0 40 FIAB CO[C@H]1c2ncc(-c3ccccc3)cc2Sc2nc(-c3cccnc3)nn21 19592688 BYFZGURRUZJEFW-IBGZPJMESA-N 373.441 4.060 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20744427 ZQUYTLKWZFYIBQ-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB O=C(COc1cccc2[nH]ccc12)Nc1cccc(OC(F)(F)F)c1 20746120 QNHDFFSUWGJWNU-UHFFFAOYSA-N 350.296 4.084 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 22407130 DANPEBWPZWGEJK-PXNSSMCTSA-N 364.489 4.405 0 40 FIAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1CCOCC1 23272218 XFWTWBCMLFAUEQ-UHFFFAOYSA-N 371.289 4.406 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(C)cc2)ns1 27742303 LTYNDDOYHXVSDS-INIZCTEOSA-N 371.437 4.449 0 40 FIAB Cc1ccsc1C(=O)Nc1cnn(COc2ccc(F)cc2Cl)c1 32610239 QKZDWWLIFVKYCG-UHFFFAOYSA-N 365.817 4.334 0 40 FIAB O=C(Cc1ccccc1)Nc1nn(Cc2ccccc2Cl)cc1Cl 32647586 OLSZQXUNKGXAMJ-UHFFFAOYSA-N 360.244 4.419 0 40 FIAB CCc1ccc(NC(=O)CSCc2cc(=O)c3cccc(F)c3[nH]2)cc1 33064184 IEQNKHATAGPINX-UHFFFAOYSA-N 370.449 4.102 0 40 FIAB CC(C)(C)C1CCC(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)CC1 40030747 KSBGLLSXHBLDNP-LXPRWKDFSA-N 368.525 4.288 0 40 FIAB COc1ccc(NC(=O)c2ccc(F)cc2)cc1OCc1cccnc1 40087959 BZFRNIWXICHZLX-UHFFFAOYSA-N 352.365 4.061 0 40 FIAB CN(CC(=O)N(C)C1CCCCC1)C(=O)Nc1ccccc1C(C)(C)C 40119945 SVWSGZBAYIBRTG-UHFFFAOYSA-N 359.514 4.239 0 40 FIAB CSc1nccn1-c1cccc(C(=O)N(Cc2cccs2)C2CC2)c1 40141854 FBGSXATYRGRNFZ-UHFFFAOYSA-N 369.515 4.461 0 40 FIAB O=C(Cc1nc(-c2ccc3c(c2)CCCC3)cs1)NCc1ccco1 41873633 HPPYIPJGVSUKQU-UHFFFAOYSA-N 352.459 4.141 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(CC)cc2)cc1 61997309 HYFMOAGEMQXDKE-FQEVSTJZSA-N 350.462 4.055 0 40 FIAB C[C@](O)(CN1CC[C@H](Nc2ccccc2)C1)c1cccc(C(F)(F)F)c1 70009401 JTDMWLQTBXHRFN-OALUTQOASA-N 364.411 4.099 0 40 FIAB Cc1nc(CN(C(=O)/C=C/c2ccccn2)c2ccc(F)cc2)cs1 70040085 ZCBCCXDFFKRAJP-JXMROGBWSA-N 353.422 4.232 0 40 FIAB CCn1ccnc1CN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72350273 KNFNMJSITWRIPX-SFHVURJKSA-N 364.468 4.484 0 40 FIAB Cc1cc(C)nc(N2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)n1 72353074 HOTJHAUVJIHAIU-GOSISDBHSA-N 364.428 4.108 0 40 FIAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 77200115 ZOORNZZERQEHOT-JKSUJKDBSA-N 374.387 4.255 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502228 HVIZVCUDRUQZBQ-MNOVXSKESA-N 353.369 4.177 0 40 FIAB O[C@@H](CNc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccco1 95949194 UEBCDBZBMBJOCN-AWEZNQCLSA-N 355.394 4.236 0 40 FIAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCCc1ccncc1)n2C 96146407 XCPIDMHRLWYKKS-UHFFFAOYSA-N 360.461 4.081 0 40 FIAB CN(Cc1ccccc1C(F)(F)F)[C@@H](C(=O)NC1CC1)c1ccccc1 96993561 XBBZRGRVMVMUCD-GOSISDBHSA-N 362.395 4.157 0 40 FIAB O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)no1 98212251 XQIXGFFHKIXITI-KRWDZBQOSA-N 367.836 4.296 0 40 FIAB COc1cccc(C2=C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c1 100957971 RVGHPPGXGODBCF-INIZCTEOSA-N 356.788 4.135 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(C)C 222844382 IYJJVYSWQIPQCC-CQSZACIVSA-N 365.470 4.306 0 40 FIAB O=C(CSCc1ccccc1Cl)NCCOc1ccccc1Cl 223402617 VWZKPZKUBZCVIS-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1)CCCC2 223454472 BTJGVNSTAGXCEV-UHFFFAOYSA-N 365.882 4.337 0 40 FIAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(N3CCCC3=O)cc2)cc1C 223457225 PLHDOJWMHDMATE-KRWDZBQOSA-N 350.462 4.230 0 40 FIAB Cc1ccc(OCCNC(=O)COc2cccc3ccccc23)cc1Cl 224155087 LEKHXTVHEFMBRQ-UHFFFAOYSA-N 369.848 4.376 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C)c(C)c1 224453021 MXRTXYQGTFVZAQ-OAQYLSRUSA-N 355.478 4.273 0 40 FIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 225162279 XOIVZHKCRWZQLM-INIZCTEOSA-N 353.462 4.048 0 40 FIAB FC(F)(F)c1cc(NC(=S)NCCCN2CCCC2)ccc1Cl 225433238 YTDXBDUTQSPPSZ-UHFFFAOYSA-N 365.852 4.131 0 40 FIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225603065 YHIMEIWZTBNRQX-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3cc(C)ccc3C)n2)cc1 225815806 ANMJEQBNTUDWHS-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB CCOc1ccc2c(c1)OC1(CCN(Cc3ccc(F)cc3)CC1)CC2=O 225820496 SELKWMSTMOMGCG-UHFFFAOYSA-N 369.436 4.224 0 40 FIAB O=C(NCc1cccn1-c1ccccc1)c1ccc2nc(Cl)oc2c1 225984515 AVWPXZQBPRQHGS-UHFFFAOYSA-N 351.793 4.202 0 40 FIAB COc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)c(Cl)c1 226322328 KTTUOLLLTJKNFO-UHFFFAOYSA-N 366.204 4.213 0 40 FIAB CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)CCc2ccccc2)c1 257214619 CMQREXZKMJEOFH-UHFFFAOYSA-N 373.500 4.125 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408607258 KIAUHVOCZWDVKS-FQEVSTJZSA-N 354.881 4.003 0 40 FIAB O=C(NC(=S)NCc1ccccc1)c1ccc(-c2cccc(Cl)c2)o1 408628152 QBWJNIRAZGICJY-UHFFFAOYSA-N 370.861 4.405 0 40 FIAB COc1cccc(C2=CCN(C(=O)C(C)(C)Oc3cccc(Cl)c3)C2)c1 501648137 QJWSTRNNAYBKCN-UHFFFAOYSA-N 371.864 4.432 0 40 FIAB C[C@@H](Cc1ccc(O)cc1)N(C)Cc1c[nH]nc1-c1cccc(Cl)c1 539830583 GNXSFQSYLRZUTG-AWEZNQCLSA-N 355.869 4.499 0 40 FIAB Cc1cccc2nc(C3CCN(C(=O)CO[C@@H]4CCCC[C@@H]4C)CC3)oc12 548714638 VJWUKHPLONLVFK-HNAYVOBHSA-N 370.493 4.438 0 40 FIAB CN(Cc1c(C(=O)O)oc2ccccc12)[C@@H]1CCCN(c2ccccc2)C1 571097020 OBBOGECXYRWMEX-QGZVFWFLSA-N 364.445 4.232 0 40 FIAB COc1ccc(NC(=O)[C@H](CC(C)C)n2cccc2)cc1-c1nnc(C)o1 575443256 RRAXSFAIGXVOSE-KRWDZBQOSA-N 368.437 4.081 0 40 FIAB COCc1cc(Cl)ccc1NC(=O)N[C@H]1[C@@H]2c3ccc(F)cc3C[C@H]21 667276974 UPZXNCPWZIKDRL-KBAYOESNSA-N 360.816 4.085 0 40 FIAB COc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775967406 QLCLUMVSBRJVQS-AWEZNQCLSA-N 374.487 4.340 0 40 FIAB CCOC(=O)c1ccc(-n2c(C)c3c(OCC)cccc(=O)c3c2C)cc1 1106352 AEOPCSPQTFPYAZ-UHFFFAOYSA-N 365.429 4.183 0 40 FIAB biogenic CCOc1ccc2nc(Cl)c(CN(Cc3ccco3)C(C)=O)cc2c1 1367885 KQHPVLXBVJYAEA-UHFFFAOYSA-N 358.825 4.429 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 1377659 DWZJFQZNAPEGLD-VXKWHMMOSA-N 366.480 4.450 0 40 FIAB CC[C@@H]1CCCCN1C(=O)c1cccc(C(=O)N2CCCC[C@H]2CC)c1 1456457 VEZYPIKUKOILMY-WOJBJXKFSA-N 356.510 4.496 0 40 FIAB CC1(C)c2ccccc2N(CC(N)=O)[C@@]12C=Cc1c(ccc3ccccc13)O2 2255560 MDPBVMGGIPXQNK-XMMPIXPASA-N 370.452 4.225 0 40 FIAB CC(C)(C)OC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 2620919 PCGRHDZMZHNKIM-UHFFFAOYSA-N 369.442 4.462 0 40 FIAB O=C(Cc1cccs1)Nc1nnc(COc2ccc(Cl)cc2)s1 2792958 HMVZSRXGACCAGA-UHFFFAOYSA-N 365.867 4.013 0 40 FIAB O=C(COc1ncnc2ccccc12)Nc1ccccc1-c1ccccc1 3277206 JBZHHQMUHJCXGW-UHFFFAOYSA-N 355.397 4.314 0 40 FIAB Cc1ccc(CNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 3313442 YCWVPMMSFFKBQE-UHFFFAOYSA-N 357.504 4.025 0 40 FIAB CC(C)(C)NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 3394538 VTRCJXPOSFKCOU-UHFFFAOYSA-N 365.882 4.043 0 40 FIAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCCC1 3428199 NMJJSNIOCDVOON-NRFANRHFSA-N 364.489 4.387 0 40 FIAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1Cl 3552939 PHDCMBOEVDOPDI-HWPZZCPQSA-N 352.217 4.011 0 40 FIAB CCCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(C)ccc21 4193409 BTZLXMJFTQSARV-UHFFFAOYSA-N 369.486 4.251 0 40 FIAB COc1ccc(OC)c(CNc2ncc(-c3ccc(C)c(C)c3)n2C)c1 4678788 NCKRAFWSZZEONA-UHFFFAOYSA-N 351.450 4.333 0 40 FIAB CCC[C@H](CN1CCCCC1)[C@@H](OC(=O)c1ccc(N)cc1)C(F)(F)F 4707340 RURYPWLSKRBBFD-NVXWUHKLSA-N 372.431 4.259 0 40 FIAB CC(=O)OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 4965202 GPBSMWIJEGEZJS-QFIPXVFZSA-N 372.424 4.081 0 40 FIAB Cn1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 5265604 MNLNKXNMCPEETA-UHFFFAOYSA-N 368.868 4.186 0 40 FIAB CC[C@@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 5287903 QNUUYPTUBFCXDV-GFCCVEGCSA-N 357.504 4.365 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 5406247 ZSTDYEJFNGSSOO-UHFFFAOYSA-N 366.461 4.287 0 40 FIAB CCCCC(=O)Nc1c(-c2ccccc2F)c(=O)c2ccccc2n1C 5423150 DOSLXWFCGSSFHB-UHFFFAOYSA-N 352.409 4.473 0 40 FIAB O=C(c1cccs1)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5478028 WYSKVKOLVZYRPG-KPFFTGBYSA-N 359.466 4.396 0 40 FIAB Cc1cccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c1 5740271 CRLNPCBAPUOAQH-HNNXBMFYSA-N 355.459 4.069 0 40 FIAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1 6046164 GFOUGZWYAHMSHF-UHFFFAOYSA-N 361.869 4.428 0 40 FIAB O=C(NCCc1ccc(F)cc1)c1cc(-c2ccncc2)nc2ccccc12 6191240 LQLMKCMWMLAWAH-UHFFFAOYSA-N 371.415 4.408 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccn1 6244360 XQMVZEVBUFSOOI-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(Cl)c(C)c2)cc1 6336525 ZNUOIGOAMDIPRW-UHFFFAOYSA-N 360.841 4.405 0 40 FIAB CC(=O)Nc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1 6651708 BVTQBGYIXNILNS-GXDHUFHOSA-N 352.415 4.270 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ncccc1OCc1ccccc1 6898804 UXOASOWSERTJAD-UHFFFAOYSA-N 368.820 4.332 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)OC)c1C 8041601 BDCOZSULOFRSCD-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)N[C@H](C)c1ccccc1)O[C@H](C)C2 8181745 XHCKPONNVHGQQI-NUPWCOBBSA-N 351.446 4.299 0 40 FIAB CC[C@H](C)NCc1cc(Br)cc(Br)c1OC 8326682 CKTVLMBUWRAVIT-QMMMGPOBSA-N 351.082 4.108 0 40 FIAB COc1cc(C)ccc1O[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 8943505 JZQLGJSIZLHXRK-IBGZPJMESA-N 352.390 4.059 0 40 FIAB CC(C)C(=O)Nc1cccc(NC(=O)COc2ccccc2C(C)C)c1 9231665 AQRZRTYVVQTJOR-UHFFFAOYSA-N 354.450 4.422 0 40 FIAB CC(C)Cc1cc(-c2nn3c(-c4ccccc4Cl)nnc3s2)[nH]n1 9421657 BAJZNNLOSLSRAP-UHFFFAOYSA-N 358.858 4.095 0 40 FIAB CC(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)s1 9582734 ZYXPVDNBCYKXIT-HNNXBMFYSA-N 371.458 4.089 0 40 FIAB CC(=O)Nc1ccc(C(=O)OCc2nc(-c3cccs3)oc2C)s1 10886139 HIJGPJIVNDHDDY-UHFFFAOYSA-N 362.432 4.088 0 40 FIAB CSc1ccc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)cc1 12119080 ZVTKEBXJTREFMV-INIZCTEOSA-N 354.475 4.154 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(F)cc2)cs1 12852283 CWJOSUZKXGGQTL-UHFFFAOYSA-N 374.462 4.009 0 40 FIAB COc1ccc(-c2noc(CSCCOc3ccccc3)n2)cc1OC 12996639 LQYORLNEBPQODU-UHFFFAOYSA-N 372.446 4.066 0 40 FIAB Fc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1 13010680 VAXJLLMOWSSMRW-UHFFFAOYSA-N 350.332 4.185 0 40 FIAB O=S(=O)(Nc1ccc(OC2CCCC2)cc1)c1ccc(Cl)cc1 13648416 GSGMKYMQTPPIBC-UHFFFAOYSA-N 351.855 4.462 0 40 FIAB CN(C(=O)c1ccc(Br)cc1)c1ccc(N2CCCC2)cc1 13670184 YRVOXYDASYYCAP-UHFFFAOYSA-N 359.267 4.326 0 40 FIAB C[C@@H](SCc1cc(Cl)c2c(c1)OCO2)C(=O)NCc1cccs1 14158383 QZQMVCLRCDUGTK-SNVBAGLBSA-N 369.895 4.068 0 40 FIAB COC[C@@H](C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 14250246 LBRWEJIVIMKDFY-CYBMUJFWSA-N 372.415 4.197 0 40 FIAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 14609398 VNFWDMISARGDFW-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB COc1ccccc1CNC(=O)Cc1sc(C)nc1-c1cccs1 15840083 CWODTAICKGWUHJ-UHFFFAOYSA-N 358.488 4.048 0 40 FIAB Cc1nn(-c2nc3ccccc3[nH]2)c2c1C(=O)C[C@H](c1ccc(F)cc1)C2 19817365 CWARCWGWSFEGTE-CQSZACIVSA-N 360.392 4.109 0 40 FIAB Cc1cc(C)c2c(n1)N(Cc1ccccc1)[C@@H]1c3ccccc3C(=O)N1C2=O 19933514 VYYQENCNXYPRMJ-NRFANRHFSA-N 369.424 4.013 0 40 FIAB Nc1cc(Br)ccc1NC(=O)c1ccccc1Br 20520952 JPRYYOUEZGXSAA-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccccc3)ccc21 22508695 CTJGKQLXKVPNPK-UHFFFAOYSA-N 367.449 4.492 0 40 FIAB O=C(Cc1cc(-c2ccco2)on1)Nc1ccc(OC(F)(F)F)cc1 23127245 KFZYTYDGYXMZAK-UHFFFAOYSA-N 352.268 4.014 0 40 FIAB CC(=O)NCCCc1ccc(C(=O)CSc2ccc(F)c(F)c2)cc1 24983030 RATRKVVROOHXNS-UHFFFAOYSA-N 363.429 4.009 0 40 FIAB COc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27664508 AEAGEPPJKCNHEZ-LJQANCHMSA-N 372.896 4.306 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NCc2cc(Cl)c3c(c2)OCCCO3)c1 28925136 YDKJNOAACQZTOK-ZDUSSCGKSA-N 374.868 4.311 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@H](c3ccccc3)C3CC3)c12 31041501 MYVWTSXUEOFHFZ-HXUWFJFHSA-N 360.461 4.035 0 40 FIAB Nc1nc(SCC(=O)c2ccc3ccccc3c2)nc2sccc12 31787463 ZQYNKCCXXMLCEN-UHFFFAOYSA-N 351.456 4.402 0 40 FIAB Cc1ncsc1CCOC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 32675817 SAEVCTGTDJAEEQ-UHFFFAOYSA-N 370.478 4.054 0 40 FIAB C[C@@H](OC(=O)CCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 32744859 UQPDFTVVFZXWLV-CYBMUJFWSA-N 365.351 4.208 0 40 FIAB CCCCCc1nnc(NC(=O)c2cc(-c3cccc(F)c3)no2)s1 32833301 DJYRUAUTASCFSO-UHFFFAOYSA-N 360.414 4.317 0 40 FIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc(SC(F)F)cc1 32903420 YDUJTZHTOQGBDG-UHFFFAOYSA-N 365.401 4.045 0 40 FIAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(Cl)cc1 36398348 PFMCGJPCBBFVGV-UHFFFAOYSA-N 363.866 4.309 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(Cl)c1 38772120 WVIHJZKBLGIZOO-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)c(C)s1 40074220 VTFQPNOJJMXVCA-LRDDRELGSA-N 364.536 4.058 0 40 FIAB COc1ccc2cc(C(=O)NCc3ccnc(Oc4ccccc4)c3)[nH]c2c1 40110638 BPLWEUNDNUDSQY-UHFFFAOYSA-N 373.412 4.294 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)c1 44950102 VMNCDBVKFVYTCK-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB C[C@@H](NC(=O)NCc1cccc(N2CCCC2=O)c1)c1cccc(Cl)c1 47893173 UJJVMJJSBWOSOT-CQSZACIVSA-N 371.868 4.027 0 40 FIAB Cc1ccc(OCc2csc(-c3cnn(C)c3)n2)c2c1[C@H](C)CC2=O 48314057 LXBDACLAZHAUQH-GFCCVEGCSA-N 353.447 4.121 0 40 FIAB O=C(/C=C/c1ccncc1)OCC(=O)c1ccc(Oc2ccccc2)cc1 51174123 PUKDBBJLXHNTKC-IZZDOVSWSA-N 359.381 4.313 0 40 FIAB C[C@H]1c2cccn2CCN1C(=O)Nc1ccc(CCN2CCCCC2)cc1 56764428 NTLVWWYCZCZJBD-SFHVURJKSA-N 366.509 4.125 0 40 FIAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)C1(c2cccc(F)c2)CCC1 57252907 OZZSOYFGPANWBJ-SFHVURJKSA-N 369.484 4.393 0 40 FIAB Cc1cc2oc(=O)cc(CNc3ccc(-n4nccn4)cc3)c2cc1C(C)C 58413397 MNGAXVYHOLBILM-UHFFFAOYSA-N 374.444 4.418 0 40 FIAB O=C(c1ccc(-c2cnco2)cc1)N1CCC(Nc2ccc(F)cc2)CC1 63583947 SIGORLLVAHFGGN-UHFFFAOYSA-N 365.408 4.197 0 40 FIAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1c1cccc(Cl)c1 70036986 KTUWBWUNVMHASP-QFBILLFUSA-N 368.864 4.057 0 40 FIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccs2)cc1 71115860 MGQUGCMEKIVCEU-UHFFFAOYSA-N 355.463 4.247 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348861 DMPADAJIEMLWRE-OAQYLSRUSA-N 373.500 4.456 0 40 FIAB Cc1cc(-n2cnnc2)cc2nc(-c3ccc(Br)cc3)oc12 73639458 VHKNBVMWNPMSEA-UHFFFAOYSA-N 355.195 4.146 0 40 FIAB NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(F)c1 80915151 UJKQXCYVCKYPRD-UHFFFAOYSA-N 358.756 4.090 0 40 FIAB Cc1cnn(-c2ccccc2)c1NC(=O)c1ccc(OC(F)(F)F)cc1 84563403 SBUNFMSUFDEGDL-UHFFFAOYSA-N 361.323 4.332 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)CCCC(=O)N2 84736554 KALZQUAJDTWZQE-KRWDZBQOSA-N 354.475 4.173 0 40 FIAB O=C(NC1CCCCC1)c1ccc(NC(=O)c2scnc2C2CC2)cc1 89779101 MOYPSXZIOHSBFA-UHFFFAOYSA-N 369.490 4.335 0 40 FIAB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(-c2ccc(F)cc2)s1 89793821 BQBLCMOUPZAGIN-UHFFFAOYSA-N 366.417 4.092 0 40 FIAB O=C(c1cc(C2CC2)on1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 90613838 BPIRDJUACVEIIQ-INIZCTEOSA-N 367.232 4.073 0 40 FIAB c1ccc(COc2ccccc2CN2CCCC[C@H](N3CCCC3)C2)nc1 92785669 DAKXDXFQNQELOC-QFIPXVFZSA-N 365.521 4.111 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(CC)cc1 101084929 RSDTTYWNKIRHHH-UTKZUKDTSA-N 352.434 4.417 0 40 FIAB CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717930 JAHOTELJSKUPFG-AWEZNQCLSA-N 372.852 4.120 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1Cl 103718014 FOQMZJRPXMQVAZ-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCn1c(-c2cc(OC)ccc2OC)cs/c1=N/c1ccc(O)cc1 105828135 OXOOGJKEXUKVJL-FMQUCBEESA-N 356.447 4.192 0 40 FIAB CC[C@H](NC(=O)COc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 222771770 WDASIWGIHROAKC-INIZCTEOSA-N 363.841 4.004 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1ccccc1OC 222993318 NUUDXDDVZOGPPK-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB O=C(OCc1ccc(Cl)c(Cl)c1)c1snnc1-c1cccnc1 223852090 OSXQSYRWTDSZGP-UHFFFAOYSA-N 366.229 4.264 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)c(Cl)c1Cl 224611232 KQNATSRGSMENAR-UHFFFAOYSA-N 374.289 4.444 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 224705988 XOMHBCLUQZUUKX-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 225162249 XOIVZHKCRWZQLM-MRXNPFEDSA-N 353.462 4.048 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225619085 NLEWATRLALFBFX-NRFANRHFSA-N 364.530 4.331 0 40 FIAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cc1C(=O)OCC 225821795 QPUQVPLLJOVDMB-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB CCOC(C)(C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260818231 YGLQFVSWJUOHAV-QGZVFWFLSA-N 362.514 4.084 0 40 FIAB Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408572574 KINGYKXQIZYWDT-CSKARUKUSA-N 363.442 4.176 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1C 408627099 KBUQSSPEJHZOQW-UHFFFAOYSA-N 369.273 4.443 0 40 FIAB COC(=O)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409128969 QDHSRTZNQCJUTO-LFIBNONCSA-N 359.447 4.090 0 40 FIAB CCN(C(=O)c1cccc(C(F)F)c1F)[C@@H](C)[C@H](O)c1ccccc1 529407727 IHYBOZSUHWXXAE-SJCJKPOMSA-N 351.368 4.348 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=O)c1coc(-c3ccccc3Cl)n1)CO2 540631731 CWTXKOOFEYDVEJ-OAHLLOKOSA-N 354.793 4.167 0 40 FIAB COc1cc([C@H](C)NC2CCC(O)(c3cccc(Cl)c3)CC2)ccn1 585082886 GHXLMZXOOXYHEY-KLOIUYPJSA-N 360.885 4.225 0 40 FIAB CC(C)c1ccccc1OCC(=O)N(C)Cc1ccccc1N1CCCC1 590621623 MJEGZRQYUQOOMB-UHFFFAOYSA-N 366.505 4.448 0 40 FIAB Cc1nc([C@H](C)NC(=O)N2CCC3(C=Cc4ccccc4O3)CC2)cs1 664036598 RKHWFXYRTMMFDA-AWEZNQCLSA-N 369.490 4.163 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc2ncccc2c1)c1nc(-c2ccccc2)no1 1775976746 PGDRMRYACBERFW-LJQANCHMSA-N 372.428 4.412 0 40 FIAB Cc1ccc(O)c(C(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2)c1 2038068542 RBSSRMLAAFLBFI-UHFFFAOYSA-N 361.376 4.089 0 40 FIAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c(Cl)c1 804961 VXFYSSNGIPLMBK-UHFFFAOYSA-N 362.882 4.330 0 40 FIAB Cc1cccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)c1C 941802 NPJUKYUUUWSATJ-UHFFFAOYSA-N 354.837 4.356 0 40 FIAB Cc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)c1 1114816 VMNBCZKMCSEKFG-UHFFFAOYSA-N 361.401 4.269 0 40 FIAB Cc1ccc(-c2noc([C@H]3CCCN(C(=O)Cc4cccs4)C3)n2)cc1 1363287 UZXHOZVQEMAMDR-INIZCTEOSA-N 367.474 4.055 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C(C)C 1364241 SYLMYFPGNAQJLV-UHFFFAOYSA-N 352.891 4.196 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 2722869 OLGQPGHBDAMSCP-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3cccc(Br)c3)sc2C1 3107647 YHBKXEIPHKCAAQ-VIFPVBQESA-N 351.269 4.283 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C1/C(=O)Nc2ccccc21 3253232 IJCCCECHCMFWBK-MHWRWJLKSA-N 353.784 4.466 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3294410 ISBOZGFBDAYIRU-UHFFFAOYSA-N 368.742 4.193 0 40 FIAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)NCc1ccccc1 3312609 HTMOZPOUKYDORR-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB CCOc1cc([C@@H](O)c2nnc(-c3ccccc3)o2)ccc1OCC(C)C 3329681 VVTPFFISODTTIQ-LJQANCHMSA-N 368.433 4.252 0 40 FIAB O=S(=O)(Nc1cccc2ccccc12)c1ccccc1Br 3348235 LSOKWJIMCSVKBL-UHFFFAOYSA-N 362.248 4.403 0 40 FIAB C[C@@H]1Cc2ccccc2N1CC(=O)NC(c1ccccc1)c1ccccc1 3397926 WXBJGZGJDLUJIO-GOSISDBHSA-N 356.469 4.343 0 40 FIAB O=C(CCCSc1ccccc1)Nc1ccc(N2CCOCC2)cc1 3413411 GGYURRYANDBOOQ-UHFFFAOYSA-N 356.491 4.034 0 40 FIAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(Cl)cc1 3479215 DMBQWAWMUGCFIA-SNVBAGLBSA-N 360.822 4.134 0 40 FIAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2)cc1 3488264 RIRIOXALQZENCC-UHFFFAOYSA-N 373.408 4.022 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1snnc1-c1ccccc1 4050394 FZHNYAOJRGULFP-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB C[C@@H](Sc1ncnc2c1nnn2Cc1ccc(F)cc1)c1ccccc1 4166470 CCXJXCSAOIBVSR-CYBMUJFWSA-N 365.437 4.262 0 40 FIAB O=c1c2ccccc2n2c(-c3cccs3)nnc2n1CCc1ccccc1 4335275 ZSYKHXCCEPCEKT-UHFFFAOYSA-N 372.453 4.015 0 40 FIAB Cc1ccc(SCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 4496516 ZEHOKONKHZXZTF-UHFFFAOYSA-N 374.531 4.155 0 40 FIAB COc1ccc(/C=C2\SC(=N)N(c3ccc(C)c(C)c3)C2=O)cc1OC 4524467 AQUGRCDVCIOJBY-RYBWPTGJSA-N 368.458 4.376 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCCCC1 4667252 AUUNQCNTNWUROL-UHFFFAOYSA-N 359.919 4.438 0 40 FIAB Cc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)C2CC2)cc1 4732710 WZPWWKSFDDGUIE-NHCUHLMSSA-N 372.472 4.372 0 40 FIAB Cc1nn(-c2ccccc2)c2ncc(C(=O)NC3CCCCC3)c(Cl)c12 4941107 YXDWESABLKXTJU-UHFFFAOYSA-N 368.868 4.445 0 40 FIAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4CCCCC4)[C@@H]3C2=O)cc1 5024035 UHPFMGZMAVKYRF-YHELAOLJSA-N 363.457 4.267 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)SC2=Nc3ccccc3CS2)cc1 5325384 XXTUHFVUPJYLIY-CYBMUJFWSA-N 372.515 4.368 0 40 FIAB CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1ccccc1 5336010 XOKBPODWFQPDFN-UHFFFAOYSA-N 368.433 4.085 0 40 FIAB COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccccc3)n2)cc1 5559044 KMUJNUNNNQWHKU-ZDUSSCGKSA-N 354.431 4.225 0 40 FIAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 6206351 HRXDVOZAODXJPP-UHFFFAOYSA-N 368.842 4.018 0 40 FIAB CCCCCC(=O)N(Cc1cccnc1)c1ccc(C(=O)OCC)cc1 6594988 KVTDRJUKPXPHSX-UHFFFAOYSA-N 354.450 4.372 0 40 FIAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 7057923 HZHOIGAJYAYNLK-CQSZACIVSA-N 369.465 4.216 0 40 FIAB COc1cccc(CN(C)Cc2c(C)nn(-c3ccccc3)c2Cl)c1 7443013 QQNXRIUZHWRSPI-UHFFFAOYSA-N 355.869 4.475 0 40 FIAB CN(CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(Cl)cc1 7444098 OWUXRSUHRLPKTD-UHFFFAOYSA-N 354.784 4.012 0 40 FIAB COc1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc(OC)c1 7474684 HDVSRJYNYGHBBG-UHFFFAOYSA-N 363.417 4.019 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 7495438 AWYOHTVTURTEEB-FQEVSTJZSA-N 366.505 4.036 0 40 FIAB O=C(NC1CC1)[C@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1 7538849 RRZXZDJTGCCKMI-MRXNPFEDSA-N 357.479 4.229 0 40 FIAB Cc1cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)n1C(C)C 7786323 UHHLKBHEOLROGF-UHFFFAOYSA-N 374.790 4.403 0 40 FIAB COc1ccc(CC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 7820598 UVNPBMFQFLRSEV-UHFFFAOYSA-N 358.488 4.048 0 40 FIAB COc1cc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc(OC)c1 7969887 BWBNLIFUXYYJSC-UHFFFAOYSA-N 365.385 4.419 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1OC 8704967 DPFCIMCGKBQHKW-BBRMVZONSA-N 374.506 4.065 0 40 FIAB COc1ccc2c(CC(=O)Nc3c(F)c(F)c(F)c(F)c3F)coc2c1 8986842 KVBYKFHKMJFYSH-UHFFFAOYSA-N 371.261 4.318 0 40 FIAB CC(C)C(=O)N1CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2C1 9035784 UDFBIIFOSGXDTE-UHFFFAOYSA-N 370.880 4.062 0 40 FIAB CC[C@@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc(C)cc1 9313493 DQYXAMACINJFHJ-QGZVFWFLSA-N 366.490 4.140 0 40 FIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)NCc1ccccn1 9468839 BXWPVAQWSRVRPI-UHFFFAOYSA-N 352.821 4.097 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2C)n[nH]1 9698932 WULWBVANMUXGSI-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB C[C@@H](Oc1ccccc1)c1nn2c(CCc3ccccc3)nnc2s1 10311923 WVRFRSHREZIYPV-CQSZACIVSA-N 350.447 4.111 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1 10641124 QWXICKIYSLECLW-UHFFFAOYSA-N 350.340 4.479 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 10761421 GHPFBLVLWXDEEO-UHFFFAOYSA-N 370.880 4.150 0 40 FIAB COc1cc(OC)c(OC)cc1CNC(=O)Nc1cccc2ccccc12 11005943 KLJWVCUIUJOPTM-UHFFFAOYSA-N 366.417 4.187 0 40 FIAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc2ccccc2n1 11360992 VNTMUFZTNZNIEN-UHFFFAOYSA-N 357.369 4.332 0 40 FIAB COc1ccc(C(=O)Oc2ccc(/C=C/c3ccncc3)cc2)cc1OC 11858533 WYBBGRMHVDVJGF-ONEGZZNKSA-N 361.397 4.488 0 40 FIAB COc1ccc(-c2cn3c(C(=O)NCc4ccccc4)csc3n2)cc1 11902741 RGCSIOXMUZWBBF-UHFFFAOYSA-N 363.442 4.001 0 40 FIAB C[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 11922000 KFYGULPSRCJSAD-GOSISDBHSA-N 359.473 4.471 0 40 FIAB CC(=O)c1c(C)[nH]c([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c1C 12680642 TXKLRAYTWVZYCA-INIZCTEOSA-N 368.380 4.242 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1 12792139 VQKHRKFQHZDWJE-UHFFFAOYSA-N 372.471 4.400 0 40 FIAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@@H](C)c2ccccc2)CC1 12887637 CGENTNPAESHWQL-KRWDZBQOSA-N 351.446 4.152 0 40 FIAB CCCCC/C=C\C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1 13704101 JNBOAUIJLDEICX-YVRJFAEXSA-N 361.526 4.048 0 40 FIAB in-vitro COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 16753972 OBUGSZQWOXUWIW-HXUWFJFHSA-N 372.896 4.306 0 40 FIAB biogenic COc1ccccc1NC(=O)CCn1c(C(F)(F)F)cc2cccnc21 19571219 DSCUKZXWJLRHFK-UHFFFAOYSA-N 363.339 4.093 0 40 FIAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 20488188 CQVOCDVBOYVKKL-LBPRGKRZSA-N 358.290 4.482 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)c1 20611368 ZHWOLTSIMJJYKU-UHFFFAOYSA-N 368.462 4.137 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C(F)(F)F)c1 22311822 BFKYUSOZVSVYKG-GFCCVEGCSA-N 369.170 4.186 0 40 FIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)c(C)c1 22525031 PSZGVTGJUYHXOI-AWEZNQCLSA-N 362.267 4.322 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)nc1)c1sc2ccccc2c1Cl 24032424 CXAUIIBBUDZKOT-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(Cl)c2ncccc12 26083541 VVRJWBKODPRRNQ-UHFFFAOYSA-N 373.865 4.098 0 40 FIAB C[C@H](C(=O)Nc1cccc2ncccc12)N(C)Cc1c(F)cccc1Cl 26333049 HRXQHWQNZLCXPV-CYBMUJFWSA-N 371.843 4.486 0 40 FIAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(Cl)c1 27978567 CBCQTCNHOQSKMR-AWEZNQCLSA-N 351.761 4.004 0 40 FIAB O=c1nc(SCc2ccc(F)cc2)c2c(n1Cc1ccccc1)CCC2 27992634 ZIIVQIKIUCTSTN-UHFFFAOYSA-N 366.461 4.212 0 40 FIAB O=C(COc1cccc(NC(=O)c2ccco2)c1)NC1CCCCCCC1 32817765 OGZRVCYMDRKZGS-UHFFFAOYSA-N 370.449 4.140 0 40 FIAB O=C(c1nc(Cl)ccc1Cl)N1CCC(OCc2ccccc2)CC1 32850872 MZYDBCMRIZTXSJ-UHFFFAOYSA-N 365.260 4.210 0 40 FIAB CC(C)N(C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(C)C 32945349 GVWZJPZWQBXPFA-HNNXBMFYSA-N 370.493 4.095 0 40 FIAB Fc1cccc(-c2noc(CSc3nccn3-c3ccccc3)n2)c1 33278084 YWUQBGLKYLYDAM-UHFFFAOYSA-N 352.394 4.354 0 40 FIAB CCOc1cc(C(=O)N(C)C2CCCC2)ccc1OCc1cccnc1 40069907 RYXMZQSDMMYMOZ-UHFFFAOYSA-N 354.450 4.074 0 40 FIAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)Nc1cccc(Cl)c1 40105479 QNUGTLWMWPWGKE-GOSISDBHSA-N 360.841 4.220 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)c1 40267333 OSRWOZMNOWCCOS-AWEZNQCLSA-N 355.344 4.283 0 40 FIAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 44847607 HPOWOJHEMMWOOU-GFCCVEGCSA-N 358.290 4.482 0 40 FIAB CCN(CC)C(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1Cl 47273076 GHWPBAUHCYZGMK-UHFFFAOYSA-N 374.828 4.077 0 40 FIAB Cc1ccc(CNCc2nc(N(C)C)n(-c3ccccc3)c2Cl)cc1 48302025 WGJUAPQZZXVLHS-UHFFFAOYSA-N 354.885 4.190 0 40 FIAB Nc1cc(Nc2ccc(Br)cc2)nc(-c2ccc(F)cc2)n1 49467944 UCOPJRLORVRVGP-UHFFFAOYSA-N 359.202 4.371 0 40 FIAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1 53837639 GVSPDIKMMMUGDR-UHFFFAOYSA-N 358.401 4.093 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(C[S@](C)=O)c1 54225108 FRIJXRKWQZOXRA-HSZRJFAPSA-N 370.301 4.144 0 40 FIAB CCOc1ccc(OS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 60378923 VLPRBHSKMQHHPZ-UHFFFAOYSA-N 360.353 4.013 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 65475956 GEPAAGSGSGUKEN-LBPRGKRZSA-N 358.492 4.486 0 40 FIAB O=C(Nc1cnc2ccccc2c1)C(=O)NC1CCC(c2ccccc2)CC1 70952537 IFBYGUJUNZIERY-UHFFFAOYSA-N 373.456 4.016 0 40 FIAB CCOc1ccc(O[C@@H](C)c2nnc(-c3cnc4onc(C)c4c3)o2)cc1 71889537 RSUJEHKZEDREGT-LBPRGKRZSA-N 366.377 4.120 0 40 FIAB CCO[C@H]1C[C@@H](NC(=O)Nc2cccc3cnccc23)C12CCCCC2 72306083 ZFVDFYCYCNJRGU-MOPGFXCFSA-N 353.466 4.484 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NCC2CCCCC2)cc1Cl 72329347 YDIUWKKXOFRXLN-UHFFFAOYSA-N 361.873 4.439 0 40 FIAB C[C@H](OC(=O)c1cccn1Cc1cccs1)c1nc2ccccc2[nH]1 84647268 FWYVCOJJNFDBJF-ZDUSSCGKSA-N 351.431 4.392 0 40 FIAB COc1cc(C)c(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)cc1OC 87082443 QDIWFMIKKSRQLI-UHFFFAOYSA-N 365.433 4.067 0 40 FIAB CC[C@@H](CSC)N(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 95459557 BSEQUWVWKKECNP-AWEZNQCLSA-N 373.547 4.225 0 40 FIAB Cc1cc(NC(=O)C[C@@H]2CCOc3ccccc32)cnc1N1CCCCC1 95462448 MCIZIBCZUJYFAV-KRWDZBQOSA-N 365.477 4.275 0 40 FIAB Cc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]c3=O)c2)c1 96012518 WFYCKZZMIKMKNZ-UHFFFAOYSA-N 355.397 4.151 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2nc(Cl)sc2CC(C)C)c1 96230772 RUAMTBRONUPNDM-UHFFFAOYSA-N 351.859 4.206 0 40 FIAB COc1cccc2c1O[C@@]1(C)[C@@H](C)[C@H]2NC(=S)N1c1ccc(F)cc1 101390498 SREWWGKHLTUDGE-MAAWUACBSA-N 358.438 4.015 0 40 FIAB CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 116078219 ZUSDIXVXKSYBLT-GOSISDBHSA-N 355.434 4.216 0 40 FIAB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccc(Cl)cc1 216906670 GFYBWLKADLPZMI-WEVVVXLNSA-N 357.797 4.063 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1C 218912839 YLNDVXGWSFVRKR-UHFFFAOYSA-N 363.413 4.342 0 40 FIAB CCOc1ccc(CCCNC(=O)CCSCc2ccccc2)cc1 218997655 NTRITEDIIFMKGV-UHFFFAOYSA-N 357.519 4.458 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)s1 223717524 PMMOOCUPZMKGPP-NSHDSACASA-N 359.476 4.209 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c(C)c1 224289053 JOEVPCZSIJZLTF-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 224292490 IQCORXVIAHXQLO-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2cccc(Cl)c2C)cc1 224593915 COIVAWDZUTVUJX-UHFFFAOYSA-N 353.871 4.262 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(F)cc1 225190201 YPXNPKXXMZGFFH-OAQYLSRUSA-N 371.452 4.057 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccnc1-c1ccco1 225662021 VDLWIXHXLDMUEQ-UHFFFAOYSA-N 360.335 4.219 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225695034 HHKYWICSJIKDOZ-FZKQIMNGSA-N 357.878 4.288 0 40 FIAB Cc1cc(C)nc(Nc2cccc(C(=O)N3c4ccccc4C[C@H]3C)c2)n1 225914299 GUTXHSJFYIEVPD-MRXNPFEDSA-N 358.445 4.428 0 40 FIAB O[C@@H](COCC[C@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 252506168 RDXQFUZNRUQJIT-NEWJYFPISA-N 371.565 4.145 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCC1 260814464 ISAUOBOSQCFHNR-GOSISDBHSA-N 374.525 4.228 0 40 FIAB Cc1csc2nc(SCC(=O)Nc3ccc(Cl)cc3)nc(O)c12 408596474 PZEIUJXEWCIQGE-UHFFFAOYSA-N 365.867 4.090 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 408674109 YKESFTGFGXCLGJ-DOTOQJQBSA-N 351.446 4.467 0 40 FIAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2)c1 408697175 FQRAGZSLORIKAW-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2F)cc1C 409107317 QVSUAQOBRWZWNJ-UHFFFAOYSA-N 370.453 4.062 0 40 FIAB O=C(NCC[C@@H](CCO)c1ccsc1)Nc1cccc(C(F)(F)F)c1 575608141 PSEYOXRHEHHPEI-LBPRGKRZSA-N 372.412 4.445 0 40 FIAB O=C(NCc1nccnc1-c1ccco1)c1ccc(-c2cccs2)cc1 575619766 PVNXWNDQIODZOH-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)CC1 624745115 INCIZUAVGIXRSV-PWNAHLAVSA-N 372.512 4.015 0 40 FIAB C[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1nc2ccccc2[nH]1 1529693936 QXCKVKKMHJJNLG-LLVKDONJSA-N 363.339 4.279 0 40 FIAB Cc1ccc(C)c(OS(=O)(=O)c2cc(C)c(Br)cc2C)c1 1653303324 OXXWAYRRIHLMSU-UHFFFAOYSA-N 369.280 4.450 0 40 FIAB O=C(Nc1ccc(Nc2ccccc2)cn1)N[C@@H](c1ccncc1)C1CC1 1679359677 IMRGCIOYZAKIOT-HXUWFJFHSA-N 359.433 4.493 0 40 FIAB O=C(Oc1ccc(I)cc1)c1cccc(Cl)c1 647344 VTXYARLVLGVMNQ-UHFFFAOYSA-N 358.562 4.164 0 40 FIAB Cc1ccc(N(C)C(=O)Oc2ccc(I)cc2)cc1 936203 WXDCELSVRIXHCE-UHFFFAOYSA-N 367.186 4.235 0 40 FIAB COc1ccc(-c2cc3ccccc3n2C[C@H](O)CN2CCCCC2)cc1 938476 FSLBETMIUNCTHO-HXUWFJFHSA-N 364.489 4.164 0 40 FIAB Cc1ccccc1CSc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1 1298616 NGOGNHXTMINKMI-KRWDZBQOSA-N 364.474 4.394 0 40 FIAB CC(C)c1nc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc2n1 1355979 IQSKWGUIHRDBQY-HUUCEWRRSA-N 357.523 4.350 0 40 FIAB Cc1ccc2cc(CN(C(=O)c3cccs3)C3CCCC3)c(=O)[nH]c2c1 1358553 ISLMKFMHWWEBJT-UHFFFAOYSA-N 366.486 4.483 0 40 FIAB CC(=O)N1c2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc2C[C@H]1C 1365627 IRIACFXCWXQJHX-LLVKDONJSA-N 357.479 4.092 0 40 FIAB Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)nc1-c1ccc(F)cc1 2737983 HZCIMJLAYGKQHT-KGLIPLIRSA-N 362.426 4.087 0 40 FIAB CCC1CCC2(CC1)NC(=O)N(Cc1csc(-c3ccccc3)n1)C2=O 3317882 LQBMNESZRRNUJT-UHFFFAOYSA-N 369.490 4.201 0 40 FIAB Cc1cccc(C(=O)NCCC(=O)NC(c2ccccc2)c2ccccc2)c1 3326611 PUSNUBJOKMNLLB-UHFFFAOYSA-N 372.468 4.021 0 40 FIAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2ccc(F)cc2)cc1 3343428 FOSWODUZKMMYFL-UHFFFAOYSA-N 358.409 4.318 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCC1CCCCC1 3402122 JEPDKMOYSCMGEH-UHFFFAOYSA-N 351.446 4.207 0 40 FIAB O=C(COc1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1 3514821 IJMRZDYHRCHCIM-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccco3)C2)c1 4302486 GPNDXVSXCVXLTJ-MRXNPFEDSA-N 352.415 4.341 0 40 FIAB CCCCN1C(=O)[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 4554908 QXWOXOKOUXPHMK-HSZRJFAPSA-N 365.473 4.219 0 40 FIAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1CCO 4731420 OQOYAZZPUVJJLX-QHCPKHFHSA-N 368.436 4.372 0 40 FIAB COc1ccc(C(=O)/N=c2/[nH]c3c(ccc4ccccc43)s2)c(OC)c1 5329749 UGXJWCXGULIYOW-UHFFFAOYSA-N 364.426 4.141 0 40 FIAB CCc1ccc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)cc1 5700673 NUVIQWPXRDVVIX-UHFFFAOYSA-N 352.217 4.178 0 40 FIAB Cc1ccc2c(COC(=O)c3cn(C)c4ccccc34)cc(=O)oc2c1C 5703522 DVQXMQMOBAAHMA-UHFFFAOYSA-N 361.397 4.259 0 40 FIAB CCCCN1C(=O)/C(=C\c2c(O)ccc3ccccc23)C(C(=O)OC)=C1C 6428015 MIAYBDYWUIRTCU-AQTBWJFISA-N 365.429 4.018 0 40 FIAB C[C@@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1CCCCC1 7108458 FWIAFAZBTQOTHQ-LLVKDONJSA-N 358.265 4.235 0 40 FIAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7221727 FPFNBBUVMPDJFR-NSHDSACASA-N 365.355 4.103 0 40 FIAB O=C(OCc1nc(-c2ccc(F)cc2)no1)C1(c2ccccc2)CCCC1 7293420 NLQLAXNUOJNQNN-UHFFFAOYSA-N 366.392 4.431 0 40 FIAB CCSc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 7684446 DXZLPZXMVSOJMX-UHFFFAOYSA-N 373.865 4.432 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)cc1C 7702038 KOYPUYLMSJSAML-LJQANCHMSA-N 357.500 4.433 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cc(C)ccc2C)C1 7882296 SHESCAMDSIABLJ-IBGZPJMESA-N 364.489 4.420 0 40 FIAB CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c1 8429502 VZOVMKHLXYUQGQ-UHFFFAOYSA-N 366.490 4.084 0 40 FIAB CCCCc1nnc(SCCCOc2ccc(C=O)cc2OCC)o1 8731636 ARVZTOCXFKHRHP-UHFFFAOYSA-N 364.467 4.185 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ncnc3ccsc23)c1 9478059 BKKAGJYWRVHVIJ-NSHDSACASA-N 357.460 4.013 0 40 FIAB Cc1csc(-n2c(C)cc(C(=O)CN3CCc4ccccc43)c2C)n1 9607781 NBHUSHIZOKDWRS-UHFFFAOYSA-N 351.475 4.104 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3o2)c(OC)c1 9753477 LSZKMPVGCQERPC-QGZVFWFLSA-N 351.402 4.427 0 40 FIAB O=C1c2ccccc2N[C@H](c2cccc3cccnc23)N1CC(F)(F)F 11376545 FGMNGZJXWPXBQB-KRWDZBQOSA-N 357.335 4.364 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12 11613805 IWOPLJDQIBJAQH-UHFFFAOYSA-N 373.474 4.480 0 40 FIAB Cc1cc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)ccc1Cl 11975936 COAJQSLRVKFDHV-UHFFFAOYSA-N 354.837 4.093 0 40 FIAB O=C(c1ccc(F)cc1F)N1CCC(c2onc3c2CCCCC3)CC1 12121217 LIKGYPHZEGMUFH-UHFFFAOYSA-N 360.404 4.242 0 40 FIAB O=C(NCc1ccco1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 12683476 VSCVRSWMYMRAFH-UHFFFAOYSA-N 369.730 4.068 0 40 FIAB O=C(c1cnn(-c2ccccc2)c1)N(Cc1ccco1)Cc1cccs1 12774997 MCZUNLZLFCPNFP-UHFFFAOYSA-N 363.442 4.369 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2csc3c2CCCC3)cc1 12821260 PSIGIJMVRVTGHK-UHFFFAOYSA-N 356.491 4.361 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12929335 FYLNPICWRQUABG-MRXNPFEDSA-N 366.461 4.261 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccc(CSC)cc1)O[C@H](C)C2 12929953 NNFVGWLPFXJRED-CQSZACIVSA-N 371.502 4.202 0 40 FIAB CCN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1nc2ccccc2s1 12950033 NQJXOJWEQWVPGB-HNNXBMFYSA-N 358.850 4.306 0 40 FIAB Cc1nc(C)c(CCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(=O)[nH]1 12975238 RNVWDUCHJCURFD-UHFFFAOYSA-N 355.482 4.205 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 15083045 JLJYUENZMCIYHS-UHFFFAOYSA-N 373.478 4.332 0 40 FIAB COC(=O)Cc1ccc(OC(=O)c2oc3c(Cl)cccc3c2C)cc1 15325075 LBWLEZFNUOTEAO-UHFFFAOYSA-N 358.777 4.329 0 40 FIAB C[C@@H](Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccccc1 16577001 WBDLWPXLYBRVFY-VBFRANPASA-N 359.425 4.138 0 40 FIAB Cc1ccccc1-c1cc(CC2(C(=O)NC3CCCC3)CCOCC2)on1 19237431 DZDAJKCAXVOCSX-UHFFFAOYSA-N 368.477 4.048 0 40 FIAB CCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(Cl)cc1)C3 20403852 VTUZKZXIOPCLSM-UHFFFAOYSA-N 369.848 4.403 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(N2CCCC2=O)cc1 20481884 XBLJZOUOSRGEGG-MRXNPFEDSA-N 374.440 4.373 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCc2ccccc21 20489553 KMERTYCRKGLGQC-OAQYLSRUSA-N 366.505 4.030 0 40 FIAB O=C(CCc1cn(CN2CCCCC2)c2ccccc12)N1CCCCCC1 20624868 OBYOCDUNHZFAHY-UHFFFAOYSA-N 367.537 4.420 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccc(Cc2c(C)n[nH]c2C)cc1 21596161 FJGBZBYGMFCYIW-UHFFFAOYSA-N 358.511 4.011 0 40 FIAB Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2cc(F)ccc21 22236293 IJTAKSTYEXMMDD-UHFFFAOYSA-N 365.191 4.237 0 40 FIAB CCOc1ccc(CC(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 24691362 CVDLLUFWOMUIDM-KRWDZBQOSA-N 364.445 4.175 0 40 FIAB Cc1csc(=O)n1CCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 26790939 DAJBVPJGVFGCFV-UHFFFAOYSA-N 364.470 4.208 0 40 FIAB O=C(N[C@@H](Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccccc1 27987792 HWZMHLZRNAEEQX-HXUWFJFHSA-N 364.832 4.391 0 40 FIAB CCOP(=O)(OCC)[C@@H](NC(=O)/C=C\c1ccco1)c1ccccc1 33584570 KISICDDZZFNCDM-MENFKHAKSA-N 363.350 4.374 0 40 FIAB CCOc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 35289363 YCMWTUFAZXCLKQ-IBGZPJMESA-N 367.449 4.029 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2Cl)cc1OC 38753478 LRVVPUDEXMXNGS-LBPRGKRZSA-N 365.882 4.154 0 40 FIAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCCCC1 38832690 XRRXYNAOSYOMSQ-OAHLLOKOSA-N 355.309 4.218 0 40 FIAB COc1cccc(SCC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 40141258 FNQJLIUGRNGXMQ-OAQYLSRUSA-N 364.470 4.088 0 40 FIAB COc1cccc(NC(=O)CN(C(=O)[C@H]2CC=CCC2)c2ccccc2)c1 40146263 QMDSYVNQKAYXOF-KRWDZBQOSA-N 364.445 4.023 0 40 FIAB O=C(C1CCN(Cc2ccc(Cl)s2)CC1)N1CCc2ccccc2C1 45771252 WXNZVKZNEGYQRD-UHFFFAOYSA-N 374.937 4.198 0 40 FIAB O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1 47081101 CSLZAZJGPPYCTP-UHFFFAOYSA-N 373.861 4.296 0 40 FIAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Cl 48344206 CQTNKEPMSXERNR-UHFFFAOYSA-N 361.722 4.350 0 40 FIAB CC(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)n(C)c1 53674713 SIAYUCPOYDSTRW-QFIPXVFZSA-N 372.424 4.493 0 40 FIAB CN(C(=O)C1(c2ccc(F)cc2)CCOCC1)c1nc2ccccc2s1 57260456 WJQFHQDMOCNEAD-UHFFFAOYSA-N 370.449 4.147 0 40 FIAB C[C@H](c1ccco1)N(C(=O)Cc1csc(-c2cccnc2)n1)C1CC1 58192775 NKKLTUDNOKSKCN-CYBMUJFWSA-N 353.447 4.093 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CNC[C@H](c1ccccc1)N(C)C 61012463 AQRRROXWGQEYFM-HXUWFJFHSA-N 368.912 4.227 0 40 FIAB C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 64326165 FQASUUAEZORVRD-AFAVFJNCSA-N 351.377 4.225 0 40 FIAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCc1ccco1 71279455 DJLQLQSTUNCRDF-HNNXBMFYSA-N 368.260 4.415 0 40 FIAB CCn1c(SCCOc2ccccc2)nnc1-c1cccc(OC)c1 72190883 NVZKMWZBTXIRAS-UHFFFAOYSA-N 355.463 4.145 0 40 FIAB Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc(F)ccc1Cl 72330167 NWJZSXYUNFNMIV-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3ccccc3)nn2)n1 77197127 OXCOOFSHAWTBPZ-UHFFFAOYSA-N 369.428 4.198 0 40 FIAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc3sccc3c2)cc1 79384040 NIQHPHKPMFDUDF-SFHVURJKSA-N 364.470 4.339 0 40 FIAB C[C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N1CCCCCC1 83888859 DKICMPYINKQUTK-NSHDSACASA-N 371.428 4.465 0 40 FIAB Cc1cc(Oc2ccc(NC(=O)CCc3cccc(F)c3F)cc2)n[nH]1 84111476 IAYCCMAGNHQRAT-UHFFFAOYSA-N 357.360 4.360 0 40 FIAB O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(-n2cccc2)c1 96013951 MANFIIOCWHNJAM-PZJWPPBQSA-N 364.420 4.267 0 40 FIAB COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=O)cc1 105419452 LXHMHVQYNXFWCI-CGXNFDGLSA-N 351.446 4.075 0 40 FIAB CC(C)(O)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2C(N)=O)c1 117027649 XOUVTIGDGKTSAA-UHFFFAOYSA-N 371.440 4.019 0 40 FIAB Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@H](C)n3cnc4ccccc43)nc2c1 194531898 SVTVVPNWNWTTOD-MGPUTAFESA-N 373.460 4.146 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCCc2cccc(OC(C)C)c2)c1 218950908 IJFAUGWPNFVWKP-UHFFFAOYSA-N 355.478 4.218 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 222795457 BIYGJBNFRSTFCQ-WOJBJXKFSA-N 362.502 4.173 0 40 FIAB O=C(Cc1ccc(Cl)cc1F)NCCOc1ccc2ccccc2c1 223641594 UNONGHULVHTXPN-UHFFFAOYSA-N 357.812 4.370 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 224054123 SRSUQEPHJNSONH-UHFFFAOYSA-N 363.417 4.082 0 40 FIAB CCC[C@@H](C)NC(=S)Nc1nc(C)cc(Nc2ccc(OCC)cc2)n1 225200933 UCVCDMVRTRYGHD-CYBMUJFWSA-N 373.526 4.402 0 40 FIAB Cc1ccc(C)c(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 225229617 POMARZHLXYDURG-UHFFFAOYSA-N 359.564 4.316 0 40 FIAB O=C(c1ccc(Cl)s1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225738980 KCGVXZMTGZNRCV-ZDUSSCGKSA-N 358.850 4.243 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NCc1cccnc1-c1cccs1 225762093 BTKBVNKLJOQZGT-UHFFFAOYSA-N 357.866 4.463 0 40 FIAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCCc1ccccc1 225827431 VMAAQZNQKLVYIF-UHFFFAOYSA-N 371.440 4.181 0 40 FIAB Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(Br)c1 227157922 WZXFYMNRWJGWMJ-FPYGCLRLSA-N 351.631 4.337 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 257283753 OZTBKIFIMHORHU-IBGZPJMESA-N 373.456 4.221 0 40 FIAB CCOc1ccccc1-c1nnc(SCc2cccc(C(=O)O)c2)o1 408526615 FRCSAEJKANTPSJ-UHFFFAOYSA-N 356.403 4.126 0 40 FIAB COCc1ncsc1C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 585080958 GRLSNDYIAHFRNF-UHFFFAOYSA-N 370.396 4.118 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCC(C)CC2)cc1 1505840627 INVPBCICZDFZKD-LBXVMSDZSA-N 374.525 4.381 0 40 FIAB O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cc2c(F)cccc2[nH]1 1635639510 FPLRJMOPPSYSMI-UHFFFAOYSA-N 356.307 4.228 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1 674483 AGEGEGSMIRPFKF-UHFFFAOYSA-N 362.223 4.187 0 40 FIAB COc1ccc2cc(NC(=O)c3ccc(Cl)cc3Cl)c(=O)oc2c1 1391223 YSIYZGSXGDWAMP-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB O[C@H]1c2cc(Br)ccc2-c2c(F)cc(Br)cc21 1692048 JOOPMXLJLQLGJA-ZDUSSCGKSA-N 358.004 4.413 0 40 FIAB CC(C)COC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2249456 QHMCCEVAEQNSPJ-UHFFFAOYSA-N 366.465 4.485 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4)nc32)c(C)c1 2441854 UXEFKNBSAYONTQ-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB COc1ccc(OC)c(NC(=O)/C=C/c2cccc(Br)c2)c1 2534672 MZJXMPSCXOFUAV-RMKNXTFCSA-N 362.223 4.118 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(c3cccc(C)c3)C2=O)cc1OC 2916403 REHNYPKKMBVVDV-BOPFTXTBSA-N 355.415 4.253 0 40 FIAB Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)cc1 4121722 ZJGZNGOPWMRDGK-PRLPJYAQSA-N 359.425 4.489 0 40 FIAB CCCCCCc1cc2c3c(c(=O)oc2cc1O[C@@H](C)C(=O)OC)CCC3 4151975 WDCRBXKCSKPKOD-AWEZNQCLSA-N 372.461 4.345 0 40 FIAB O=C(O)c1cc(-c2ccco2)nc2c1cnn2Cc1ccc(Cl)cc1 4207126 AUFXIGADXYZBAI-UHFFFAOYSA-N 353.765 4.091 0 40 FIAB Oc1cc(-c2ccccc2)n2c(SC/C=C/c3ccccc3)nnc2n1 4292310 HYPFGNYZDFTAOS-JXMROGBWSA-N 360.442 4.302 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccs2)c1 4585471 FHMQTKVULKWLAJ-UHFFFAOYSA-N 361.426 4.008 0 40 FIAB O=C(c1cccs1)N1CCC(Nc2ccc(Br)cc2)CC1 4749400 CLFSOWOOSPXYSC-UHFFFAOYSA-N 365.296 4.227 0 40 FIAB COc1ccc(CNCC[C@@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1 4785492 RTMYNEJVZJZFHI-JXALWOEJSA-N 366.549 4.473 0 40 FIAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N1CCc2ccccc21 5175102 LEJMQTVFEQNKCP-OAHLLOKOSA-N 363.486 4.157 0 40 FIAB COc1ccc(NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)c(OC)c1 5191824 QPSCSUCCLRXWJG-LBPRGKRZSA-N 371.462 4.013 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cccc(C)c2C)c1 5359672 HDDBBLOUBHFURJ-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 5477288 CNXKFGPQDGBKKK-KRWDZBQOSA-N 350.462 4.364 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 6234559 XWTBWXWWWMWBLR-UHFFFAOYSA-N 355.246 4.134 0 40 FIAB Cc1ccc(-n2c(C)cc(/C=C(\Sc3nnc(C)[nH]3)C(=O)O)c2C)cc1 6332356 DCDIHYPWXRFJLC-YVLHZVERSA-N 368.462 4.047 0 40 FIAB C[C@H](Sc1nc(-c2ccccc2)cn1N)c1nnc(-c2cccs2)o1 6649930 QHSQWQGYBFVGDM-NSHDSACASA-N 369.475 4.229 0 40 FIAB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)cc3C)CC2=O)cc1 6880940 QUXKLKLOHOWUBY-QGZVFWFLSA-N 366.461 4.084 0 40 FIAB COc1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc(OC)c1C 6947958 AUJAHVQEUMJIIV-UHFFFAOYSA-N 369.442 4.493 0 40 FIAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 7071064 UCDYRIURWHUXCP-BVTUPMQUSA-N 361.463 4.188 0 40 FIAB Cc1c(C(=O)NCCCn2cnc3ccccc32)oc2ccc(F)cc12 7256645 WGTKBWKRECKNHY-UHFFFAOYSA-N 351.381 4.050 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Br)c(C)c1 7306149 JSXMAZDNIBGXQF-CYBMUJFWSA-N 368.296 4.105 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCOCC2)cc1 7504778 WDBYWPQIZHBRSB-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB COc1ccc([C@@H]2CCCCCN2Cn2c(=O)oc3ccccc32)cc1 8338850 GBULUPXKWJAEGK-SFHVURJKSA-N 352.434 4.178 0 40 FIAB CN(C(=O)C1CCC(C(=O)N(C)C2CCCCC2)CC1)C1CCCCC1 8374552 XMZJGMYNADZBJS-UHFFFAOYSA-N 362.558 4.375 0 40 FIAB Cc1ccccc1N(CC(=O)c1ccc2c(c1)OCCO2)C1=NCCCC1 8415742 GZCSUMNLCZVYTI-UHFFFAOYSA-N 364.445 4.038 0 40 FIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(C(F)(F)F)c1 8735458 FQOQJRWQBHLRCO-UHFFFAOYSA-N 360.335 4.161 0 40 FIAB CN(C)c1ccc([C@@H](CNC(=O)C2CCC2)c2c[nH]c3ccccc23)cc1 8744966 OTGSWDZNDLKQHP-HXUWFJFHSA-N 361.489 4.282 0 40 FIAB COc1ccccc1-c1nc(CSc2nnc3n2CCCCC3)cs1 9218620 XEKGEZQMZNCLAE-UHFFFAOYSA-N 372.519 4.429 0 40 FIAB Cc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O)[nH]1 9360274 INSAVBKVMGKBDP-ZSOIEALJSA-N 361.810 4.244 0 40 FIAB COc1ccccc1CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 9484816 VTYSZHYTTUUOHS-UHFFFAOYSA-N 363.442 4.026 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 9741457 MTUDPZFCDZCASW-OAQYLSRUSA-N 371.864 4.361 0 40 FIAB CN(Cc1cccs1)C(=O)CSc1ncc(-c2ccc(F)cc2)o1 10715253 VSAJUAXZPHIVRZ-UHFFFAOYSA-N 362.451 4.293 0 40 FIAB Cc1c(C(=O)OCc2cccc(Cl)c2)nnn1-c1ccc(Cl)cc1 12415634 LRMMKPLYTRTFHM-UHFFFAOYSA-N 362.216 4.240 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccc2F)o1 12536625 IOYYOSZEAMLQFH-UHFFFAOYSA-N 366.392 4.175 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3csc(-c4ccsc4)n3)ccc21 12915144 ZIQCAZQGOHIWGT-UHFFFAOYSA-N 369.471 4.033 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)cc1OC 12997974 OJQCBELWJSIEGR-IBGZPJMESA-N 362.429 4.229 0 40 FIAB COc1ccc(C(C)=O)cc1CSCCC(=O)N1CCc2ccccc21 13017176 UKTTXIBFQNBLRT-UHFFFAOYSA-N 369.486 4.110 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccccc2OC(F)F)cc1Cl 14716418 XMICHJXAOXYXAX-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3F)c12 14898704 KEFAIVVWNDQLRL-UHFFFAOYSA-N 368.343 4.067 0 40 FIAB O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1c1ccccc1 15011689 DDHDHNDVTXHFMQ-VIZOYTHASA-N 359.790 4.310 0 40 FIAB CCn1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)n1 19690579 LMTYTEXKMXAINI-UHFFFAOYSA-N 374.488 4.293 0 40 FIAB CC(=O)N1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2C(=O)CC(C)C 19712944 RZJQMVLGWUKEOK-VSKRKVRLSA-N 370.537 4.036 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(O)=N2 20745384 KACXGKLUONGXAZ-GFCCVEGCSA-N 374.231 4.401 0 40 FIAB Cc1ccc(C)c2sc(NC(=O)c3cncc(Br)c3)nc12 24553151 PWBSAHUXVYEOCX-UHFFFAOYSA-N 362.252 4.323 0 40 FIAB C[C@H]1CCc2ccccc2N1CC(=O)N(C)Cc1nc2ccccc2s1 26852299 NYXOTWOQGGLBPK-HNNXBMFYSA-N 365.502 4.096 0 40 FIAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1cccs1)C1CC1 28041300 LOZGICSWQBENOD-UHFFFAOYSA-N 362.303 4.408 0 40 FIAB CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)CC)c2)cc1 29544041 WSNBUWOWQWHDCZ-UHFFFAOYSA-N 360.479 4.043 0 40 FIAB O=C(CSCc1ccccc1)NCCOc1ccc2ccccc2c1 30447159 UYIZOFOGLJNKJW-UHFFFAOYSA-N 351.471 4.268 0 40 FIAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@@H](c1ccc(F)cc1F)O2 30819470 TVYWTLKCWSSEPR-HNNXBMFYSA-N 356.324 4.395 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 32409258 CFWZQCKIFFUKSG-NSHDSACASA-N 359.838 4.265 0 40 FIAB Cc1cc(NC(=O)CSc2ccccc2N)ccc1Br 32691268 JIYUMPKTNBNMCH-UHFFFAOYSA-N 351.269 4.071 0 40 FIAB O=C(NCc1ccc(OCc2cccnc2)cc1)c1ccc(Cl)cc1 32930326 ASVQTLVONXBKRP-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB CC1=C[C@@H](CNC2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442646 RNKJZGUSKFXGOD-BJLQDIEVSA-N 366.509 4.281 0 40 FIAB biogenic,in-vitro COCc1ccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)o1 36740509 QKXHJJNDAVQQSU-UHFFFAOYSA-N 371.525 4.132 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccs1 38629338 IXJUTVBEAZDPJW-CYBMUJFWSA-N 357.401 4.191 0 40 FIAB CC(=O)c1cc(CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)oc1C 40017191 CCJQBVFAIKNSGI-UHFFFAOYSA-N 365.433 4.164 0 40 FIAB COc1cc(C(=O)N2CCCCC[C@H]2c2cccn2C)cc(OC)c1C 40047335 PULOUFBUYCYDIP-SFHVURJKSA-N 356.466 4.108 0 40 FIAB COc1ccccc1[C@H]1CC(O)=Nc2c(C(=O)O)cn(-c3ccccc3)c21 40313128 SKLPYNHYIQLYBX-OAHLLOKOSA-N 362.385 4.308 0 40 FIAB biogenic O=C(c1ccc(Cl)c(Cl)c1)c1ccccc1CN1CCOCC1 43211489 APTKQCHHRAHMNY-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccccc1F 44902002 NPNQQNZIIPFKBB-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB CCCCNC(=O)C1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 46893742 LDEIKWUAELDURB-IBGZPJMESA-N 373.541 4.112 0 40 FIAB COc1ccccc1NC(=O)C1CCN([C@H](C)c2ccccc2F)CC1 48365085 FPGIBIPZOYIMSI-OAHLLOKOSA-N 356.441 4.246 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(CN(Cc2nc(-c3cccnc3)no2)C2CC2)o1 51183327 PXIXDKHMCISIEW-CXAGYDPISA-N 350.422 4.013 0 40 FIAB Cc1ccc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)c(O)c1 57139357 LXKGNHLGMUFBTD-UHFFFAOYSA-N 361.323 4.157 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 57179508 SCPAEAQVRFIVLM-UHFFFAOYSA-N 359.853 4.426 0 40 FIAB COCCn1cc(C(=O)N2CCC[C@H]2c2cccs2)c2ccccc21 57427679 NHTNCHPAHCBSMZ-SFHVURJKSA-N 354.475 4.327 0 40 FIAB O=C(NCc1ccccc1F)c1ccc(N2CCc3ccccc3C2)cc1 63897712 DOJBGMYYTWSBKD-UHFFFAOYSA-N 360.432 4.318 0 40 FIAB CO[C@@H](CNCc1c(C)nn(-c2ccccc2)c1Cl)c1ccccc1 71821860 JDMMOYXAOWMHHU-IBGZPJMESA-N 355.869 4.311 0 40 FIAB CN(C)[C@@H](CNC(=O)CCc1ccc(Cl)s1)c1ccc(Cl)cc1 72309359 UTYGFBHIRGWICE-HNNXBMFYSA-N 371.333 4.407 0 40 FIAB Cc1ccccc1Cc1cccc(C2CCN(C3CCOCC3)CC2)n1 72350090 DNPFLKOLSOSNPG-UHFFFAOYSA-N 350.506 4.339 0 40 FIAB COc1cccc(OC)c1C(=O)NCc1sc(-c2ccccc2)nc1C 85470936 YPZNLGVUALCDHH-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB Cc1ccc(C)c(OCCc2nnc(NC(=O)Nc3ccccc3)s2)c1 95116423 GMLSCVKEGGBHOW-UHFFFAOYSA-N 368.462 4.420 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 95408094 DZTMCLXCPWOPNP-TZIWHRDSSA-N 370.468 4.297 0 40 FIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1nccs1 95475777 CDDFLXASYGNSRY-MRXNPFEDSA-N 373.909 4.131 0 40 FIAB COCCn1cc(CCC(=O)Nc2cccc3ncccc23)c2ccccc21 95480942 LKAPBIYEAQHTDE-UHFFFAOYSA-N 373.456 4.407 0 40 FIAB Cc1noc(C)c1CN1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110286 MJUBNLIENVDITI-RBBKRZOGSA-N 354.494 4.151 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)Nc3ccc4nc(C)oc4c3)c2C)no1 124704991 KFCVUKXBFUWNSL-UHFFFAOYSA-N 350.378 4.092 0 40 FIAB CCn1c(Cl)nc2cc(C(=O)N(Cc3cccnc3)C(C)C)ccc21 222545629 MKOYRVSGLUNHJE-UHFFFAOYSA-N 356.857 4.155 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222627244 CAXLRYFWDJLVNF-IBGZPJMESA-N 351.402 4.234 0 40 FIAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)c1ccccc1 222933279 ZXCJUYAUKIPIAL-OAQYLSRUSA-N 368.521 4.394 0 40 FIAB COc1cccc(OCc2cc(C(=O)N3CCC(C)CC3)ccc2OC)c1 224256876 BQHXEHBEKVJVAP-UHFFFAOYSA-N 369.461 4.155 0 40 FIAB O=C(COc1ccc(Br)cc1Cl)NCC1=CCCCC1 224262094 SBTANNBGUBWVLL-UHFFFAOYSA-N 358.663 4.098 0 40 FIAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1Cl 224474778 HTDCDPMEWOTZJM-UHFFFAOYSA-N 372.896 4.318 0 40 FIAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 225361638 VQXDJPCPASPDNY-INIZCTEOSA-N 373.324 4.427 0 40 FIAB O=C(NCc1ccc(-c2cccnc2)nc1)NCc1cccc2ccccc12 225766329 PHFKRQYCNKUZCJ-UHFFFAOYSA-N 368.440 4.296 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2cccc3ncccc23)CC1 257201268 AGYXVHYNLWWUHP-GOSISDBHSA-N 366.505 4.223 0 40 FIAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c(C)c1 260742516 WTZJTOYVZBGKOT-QGZVFWFLSA-N 353.535 4.431 0 40 FIAB Cc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)c1 306143208 XWJYUFVRTKFMEG-NRFANRHFSA-N 365.502 4.095 0 40 FIAB S=C(NC[C@H]1CCCO1)c1cccc(OCc2ccc(Cl)cc2)c1 408575240 NIVNLCOHNFTUAH-GOSISDBHSA-N 361.894 4.363 0 40 FIAB Cc1ccc(NCc2ccccc2OS(=O)(=O)c2ccccc2)cc1 409110296 BEYGEOVGYZGJCW-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB CCN[C@H]1C[C@H](c2ccccc2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 616575865 MPVCQHXWLZYJJL-RBUKOAKNSA-N 374.525 4.286 0 40 FIAB Cc1ncc(NC(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c(C2CC2)n1 626552206 LGPRKEHOHHWVTK-OAHLLOKOSA-N 372.419 4.352 0 40 FIAB CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccccc23)c1 953621 QNMREXHAGPYAQB-UHFFFAOYSA-N 364.401 4.332 0 40 FIAB FC(F)(F)c1cnc(-n2cnc(CSc3ccccn3)n2)c(Cl)c1 1387918 VAKQQNVSUZYFIT-UHFFFAOYSA-N 371.775 4.022 0 40 FIAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1OC 1934639 GVMIQSSZLIAYAQ-PKNBQFBNSA-N 353.418 4.339 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1(c2ccc(C)cc2)CC1 2366398 LPMQXNNLYFDULP-UHFFFAOYSA-N 362.429 4.323 0 40 FIAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(C(C)C)cc3)N2C1=O 2463386 TXEIIHQNBNFWGE-DOTOQJQBSA-N 372.490 4.022 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)nc(C)c1C 2623353 NLSIHACHZFGTTQ-UHFFFAOYSA-N 356.278 4.439 0 40 FIAB O=C1C[C@](Cl)(Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 3135007 BODIEARJSLECPO-KRWDZBQOSA-N 366.269 4.326 0 40 FIAB CSc1ncccc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 3306464 YXRPPGSLLNVVNH-UHFFFAOYSA-N 367.401 4.393 0 40 FIAB CC(C)(C)OC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 3430617 QUJWDOISGJAYTP-UHFFFAOYSA-N 374.487 4.085 0 40 FIAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)c1 4019097 SBJCNDYDDCGNTH-GFOFROLCSA-N 370.474 4.112 0 40 FIAB Cc1ccccc1CSC1=NCCN1C(=O)COc1ccc(Cl)cc1 4120036 WLQSGQAHTVJSRT-UHFFFAOYSA-N 374.893 4.159 0 40 FIAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC(C)(C)NC2(C)C 4281233 AHDYUUWTXUQKMN-UHFFFAOYSA-N 366.527 4.069 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)CC2CCCC2)c1 4585486 RWHDLKGWPBEIKE-UHFFFAOYSA-N 361.445 4.213 0 40 FIAB C[C@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1 5113119 QLTJBYCXQBOWOO-YEZKRMTDSA-N 354.189 4.170 0 40 FIAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(C)c2)cc1 5277323 WBZMDFUWSGUNDY-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB CCOc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1cccnc1)=N2 5444635 GDZQMMREGVDGQG-UHFFFAOYSA-N 360.392 4.053 0 40 FIAB O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1cccc(Cl)c1Cl 6224300 YKBJLATUOLNJNB-UHFFFAOYSA-N 369.233 4.102 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCC2=O)cc1 6248963 WFVODQNFYGREME-UHFFFAOYSA-N 363.461 4.056 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(Br)c1 6583637 CWXNOIBBBWXOMG-MDZDMXLPSA-N 362.223 4.118 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(Cl)cc2F)c1C 7566165 XJHHGGKEFAHJFE-NSHDSACASA-N 365.788 4.055 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 7723918 CSYSQQWFRIONDB-LLVKDONJSA-N 360.385 4.494 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)CCOc1ccccc1 7981602 GYGHFCNBNSUKNQ-UHFFFAOYSA-N 368.385 4.122 0 40 FIAB CC(C)(C)N1C[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1=O 8218924 IJQHWBWROUARGH-MRVPVSSYSA-N 363.672 4.232 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N(Cc1ccco1)Cc1ccco1 8428425 WFETWYUFXUJOGA-UHFFFAOYSA-N 363.772 4.273 0 40 FIAB Cc1ccc(-c2nc(Cn3cnc4cc(F)ccc4c3=O)cs2)cc1 8485785 FPTYLAXLEOOSFH-UHFFFAOYSA-N 351.406 4.016 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CCOc2ccc(Cl)cc2)c1 8532500 APWMIDGEJVEKID-MRXNPFEDSA-N 360.885 4.295 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nccn1C(C)C 9116064 XPXSJXLCUIIUHO-UHFFFAOYSA-N 353.875 4.165 0 40 FIAB COc1ccc(-c2n[nH]c(SCc3cn4cc(Cl)ccc4n3)n2)cc1 9126362 HNZPCKCCIYJCSB-UHFFFAOYSA-N 371.853 4.074 0 40 FIAB COc1ccccc1OCC(=O)Nc1cc(-c2ccc(Cl)cc2)no1 9183901 JITDUCQGCYQZLG-UHFFFAOYSA-N 358.781 4.021 0 40 FIAB Clc1cccc(NC2=NN=C(c3ccc4c(c3)OCCCO4)CS2)c1 9253205 QDGQPPICUPAKOB-UHFFFAOYSA-N 373.865 4.420 0 40 FIAB CC[C@@H](Sc1ncnc2c1oc1ccccc12)C(=O)Nc1cc(C)on1 9390136 DLQYISWMBONEJR-CYBMUJFWSA-N 368.418 4.182 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1ccc(O)c2ccccc12)c1ccc(C)cc1 10321138 WPLZGTQDCALDMT-HXUWFJFHSA-N 362.429 4.060 0 40 FIAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccn1 11565860 GJGVNQHKLSENEP-UHFFFAOYSA-N 362.495 4.359 0 40 FIAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 12198496 GTFKFOBBVOOASM-UHFFFAOYSA-N 372.490 4.046 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c(C)c1 12885710 QJPIWMFRXCODGA-MRXNPFEDSA-N 365.495 4.266 0 40 FIAB CCOc1c(Cl)cc(/C=C/C(=O)N(C)Cc2ccsc2)cc1OC 12893881 JIAUSOMVKCMKJD-AATRIKPKSA-N 365.882 4.481 0 40 FIAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)cc1 12940507 LETOAUDYCOIPEE-GFCCVEGCSA-N 368.260 4.128 0 40 FIAB COC(=O)CCS[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 12982989 VPGIRNXMTAMWNR-FQEVSTJZSA-N 353.443 4.388 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13689103 GMEQTZOTLKEKIG-OAHLLOKOSA-N 363.413 4.423 0 40 FIAB COc1cc(NC(=O)c2oc3ccc(F)cc3c2C)cc(OC)c1OC 14085462 IJXNHTQPFSFMJR-UHFFFAOYSA-N 359.353 4.158 0 40 FIAB Cc1cc(COC(=O)c2ccccc2SCc2csc(C)n2)on1 14846731 VTXKNXRRJXOJBQ-UHFFFAOYSA-N 360.460 4.397 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1ccccc1F)C1CC1 19358447 MBTBPGFTISXNCS-UHFFFAOYSA-N 367.449 4.457 0 40 FIAB C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)C3CCCC3)cc2N1 19574658 GIBBRCVJIYFOFF-KCPJHIHWSA-N 370.419 4.044 0 40 FIAB COc1cccc2cc(CN3CC[C@@]4(C)[C@@H]3CCCCCN4C(C)=O)oc12 19713373 LWRMMDTUAWNVAB-UNMCSNQZSA-N 370.493 4.197 0 40 FIAB CC(C)C(=O)N1CCC([C@]2(C)CCCCN(Cc3ccccc3)C2=O)CC1 19745024 HRPSXHGFMKISDW-QHCPKHFHSA-N 370.537 4.100 0 40 FIAB CCOc1cc(OCC)cc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 20143331 JNJMRLWOGLNKJA-UHFFFAOYSA-N 363.797 4.088 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC 20492358 WJNUECIGRZSGBP-NSHDSACASA-N 351.855 4.477 0 40 FIAB COc1ccc(Cc2nnc(SCc3ccc(C)cc3)o2)cc1OC 20759899 NVUXADRMXGVEIV-UHFFFAOYSA-N 356.447 4.278 0 40 FIAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1c[nH]c2ccccc2c1=O 22233995 QCBVKSYKGDVCDV-UHFFFAOYSA-N 366.726 4.453 0 40 FIAB CCn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)c2cc(C)ccc21 22234786 XCMNKMZWSMUPCX-HXUWFJFHSA-N 360.457 4.137 0 40 FIAB COc1cc(OC)c(C2=CCN(c3nc4ccccc4o3)CC2)c(OC)c1 22760432 KIXCIVYJWNWAKL-UHFFFAOYSA-N 366.417 4.147 0 40 FIAB Cc1ccccc1CN1CCN(C(=O)c2cc3ccccc3s2)CC1 23638813 BOUXGLMAJOIMGO-UHFFFAOYSA-N 350.487 4.168 0 40 FIAB CCCCNC(=O)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 28221640 UJKPLGJFFBBLAY-UHFFFAOYSA-N 354.385 4.464 0 40 FIAB O=C(CCc1ccccc1Cl)NCc1ccc(CN2CCCC2)cc1 29705890 RWYWWUJVDXLTKU-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB Cc1ccccc1NCCC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 30394152 IBPFRECVCUWSMN-MRXNPFEDSA-N 365.477 4.023 0 40 FIAB CCCc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)sc1C 32721932 ZKGDGMMIKZXIIU-UHFFFAOYSA-N 356.535 4.403 0 40 FIAB Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)c(Br)c1 32770579 NJPPPGXLTJOVOV-UHFFFAOYSA-N 367.264 4.014 0 40 FIAB COc1ccc(-c2nnc(N(C)C(=O)c3ccc(Cl)cc3)s2)cc1 34791621 LBSLYRFRMYUNLH-UHFFFAOYSA-N 359.838 4.144 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 35312988 DGCVAXIAXLGJAN-MRXNPFEDSA-N 369.440 4.271 0 40 FIAB O=C(NCC1CCN(Cc2cccs2)CC1)Nc1ccccc1Cl 38584972 WCCXCVDTIDXHPG-UHFFFAOYSA-N 363.914 4.435 0 40 FIAB Cc1cccc(OCCCC(=O)Nc2ccc(N3CCCCC3)nc2)c1 40034430 DELWMVIZSWFBRV-UHFFFAOYSA-N 353.466 4.178 0 40 FIAB O=C(COc1ccc(Cl)cc1C1CCCCC1)Nc1nncs1 44397458 ACVASMXZLYHYGJ-UHFFFAOYSA-N 351.859 4.257 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 46894230 VSXKETLXWTYGQG-OAHLLOKOSA-N 355.434 4.423 0 40 FIAB Cc1ncsc1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2F)s1 53281267 USCIDBRAKUQSFN-UHFFFAOYSA-N 369.393 4.168 0 40 FIAB CCOc1ccc(O[C@H](C)c2nnc(-c3cnc4onc(C)c4c3)o2)cc1 71889538 RSUJEHKZEDREGT-GFCCVEGCSA-N 366.377 4.120 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C=O)C1CCCC1 72215609 VSKCILWGQNIZNB-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB O=C(NCC[C@H](O)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 77114252 PXUYXHDPHZZUBX-INIZCTEOSA-N 363.910 4.453 0 40 FIAB Cc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@H]2CC(=O)O 91302774 DJBYYBPDMALLJK-OAHLLOKOSA-N 359.466 4.226 0 40 FIAB in-vitro Cc1ccc(CN(C(=O)[C@H]2CC(c3ccc(Cl)s3)=NO2)C(C)C)o1 95364849 UHACCIRYWJLAGA-CQSZACIVSA-N 366.870 4.233 0 40 FIAB O=C(c1ccncc1)N1CCC[C@]2(CCCN2Cc2ccc(Cl)cc2)C1 96214607 SMESZIZIHBFYRB-NRFANRHFSA-N 369.896 4.006 0 40 FIAB Cc1occc1-c1nc(N(C)CCc2ccccc2)ncc1-c1cnccn1 105870762 BNTADMPYFPEJQK-UHFFFAOYSA-N 371.444 4.181 0 40 FIAB CO[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 206851455 IGIHSIQQZSVPSN-OAHLLOKOSA-N 373.758 4.356 0 40 FIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 216242587 HEHICHVATLIJRL-MRXNPFEDSA-N 355.478 4.419 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccccc1Cl)CC(C)(C)O2 218850254 DJPMGVGNURTCID-INIZCTEOSA-N 359.853 4.446 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225078231 PXJWQPWJNPRTCA-QZTJIDSGSA-N 367.489 4.225 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225107449 ZNXPWKAUEQWKLH-ZDUSSCGKSA-N 370.474 4.051 0 40 FIAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225107765 LFPNOBUWLJVGNI-UHFFFAOYSA-N 357.834 4.011 0 40 FIAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2cccc(Cl)c2)c1 225365664 MBQXDOCDWQTUST-UHFFFAOYSA-N 351.899 4.084 0 40 FIAB Cc1cc(F)ccc1S(=O)(=O)NCCCc1cccc2ccccc12 225600140 AVVSHQLQKRDDMU-UHFFFAOYSA-N 357.450 4.198 0 40 FIAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 225714696 DKEJASXHTQGJHX-GCJKJVERSA-N 374.525 4.085 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)c(F)c2)cc1C 225790695 PRIRLPPRXZWKJN-ZDUSSCGKSA-N 350.434 4.336 0 40 FIAB C[C@H]1[C@H](C)CCCN1C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)C(C)(C)C 245227114 AOWYYPBYAPIMFX-LLGFUMIMSA-N 372.553 4.166 0 40 FIAB Cc1cc(C)nc(N2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)n1 257213078 CGCCOXOOWFHJHN-NRFANRHFSA-N 358.489 4.463 0 40 FIAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 328844550 WXUOTEXGSDYLCK-UXHICEINSA-N 372.472 4.255 0 40 FIAB O=C(O)c1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccncc2)cc1 409417472 GZYDEICJUQYZRY-HXUWFJFHSA-N 361.376 4.275 0 40 FIAB Cc1cccc(-c2n[nH]cc2CN2C[C@@H](C)O[C@H](c3ccsc3)C2)c1 539850068 CZBSLBUPAKZVDO-BEFAXECRSA-N 353.491 4.409 0 40 FIAB CCC[C@@]1(CO)CCN(C(=O)c2ccccc2Oc2cccc(C)c2)C1 585085165 PKCNIOHLPSSFCU-JOCHJYFZSA-N 353.462 4.412 0 40 FIAB O=C(c1ccccc1)N1CC[C@@H](C(=O)N2CCC[C@@H]2CCC2CCCC2)C1 626182453 LJUCVXBXRSAMHD-NHCUHLMSSA-N 368.521 4.110 0 40 FIAB Cc1ccc(CN(C)CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)nc1 1654560454 RVGMCPHXKWKUPG-QHCPKHFHSA-N 365.521 4.260 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccc2ncsc2c1 1775967314 LVGXFHLDLCPNHE-CYBMUJFWSA-N 370.455 4.081 0 40 FIAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(Cl)c(F)c2)O[C@@H]2CCCC[C@@H]12 2037844572 XMUVGVHYOWXTCW-OKDNKWQNSA-N 369.864 4.021 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](Cc2cc(C)cc(C)c2)[C@H](C)C(=O)O)cc1 1088595 AOVBKLOZAUDWCY-JXFKEZNVSA-N 369.461 4.220 0 40 FIAB CCc1cc(I)ccc1NC(=O)c1ccc(C)cc1 1262700 HZBYYWOPXMULES-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB O=S1(=O)c2ccccc2N[C@@H](c2ccccc2F)N1Cc1ccccc1 1430180 FYQQGKQFGZPPBY-HXUWFJFHSA-N 368.433 4.141 0 40 FIAB Cc1cccc(NC(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1 2057689 FGVCGUZRNWLYAE-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB c1ccc2c(c1)CC1(CCCC1)c1c-2ncn2nc(-c3ccncc3)nc12 2246743 DDEZWPBYTZMCRA-UHFFFAOYSA-N 353.429 4.221 0 40 FIAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C)cc3)cc12 2267647 AYBFWLNYDFDCIJ-UHFFFAOYSA-N 368.385 4.072 0 40 FIAB biogenic COC(=O)c1[nH]c2ccc(F)cc2c1NC(=S)Nc1ccc(F)cc1 2348633 FSIIHRBUVFCOMX-UHFFFAOYSA-N 361.373 4.042 0 40 FIAB COC(=O)c1ccccc1NC(=S)N1CCC(Cc2ccccc2)CC1 2686558 PORFCYNSMKEVOQ-UHFFFAOYSA-N 368.502 4.125 0 40 FIAB O=C(NC1CCCCCC1)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12 2777981 RRSMULVZJKXSNT-UHFFFAOYSA-N 366.387 4.078 0 40 FIAB COc1cc(OC)cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c1 3286168 FYROULKZBYZKEC-UHFFFAOYSA-N 362.381 4.154 0 40 FIAB COc1cccc(CN(C)CC(=O)Nc2cc(Cl)ccc2Cl)c1 3584066 RKCFEYJGVXWUQJ-UHFFFAOYSA-N 353.249 4.073 0 40 FIAB Clc1ccc(Nc2nc3nonc3nc2NCCc2ccccc2)cc1 3671106 MWEJXMHTKRXQRZ-UHFFFAOYSA-N 366.812 4.064 0 40 FIAB CC[C@]1(CN2CCCCC2)COc2c(Br)cc(C)cc2C1=O 5468353 UEIBHXXTWOQDDB-SFHVURJKSA-N 366.299 4.215 0 40 FIAB COc1ccccc1[C@H](CCN[C@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccco1 5478518 IRQFLDPUVMQMKX-JYBIWHBTSA-N 356.510 4.129 0 40 FIAB COc1ccc(NCc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1 6510752 WZERKFLOLKHAHQ-UHFFFAOYSA-N 363.442 4.044 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)c1C 6667889 MZIYMWPYTDKLBZ-UHFFFAOYSA-N 353.871 4.465 0 40 FIAB O=C(CCc1ccsc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 6882216 HHUDODWRQSFMOL-UHFFFAOYSA-N 366.490 4.304 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c(OC)c1 7270749 ZYBKSEJBVUAKSU-UHFFFAOYSA-N 368.477 4.265 0 40 FIAB Cn1ncc2c(NCc3ccccc3)nc(Nc3cccc(Cl)c3)nc21 7449179 CKYHGGSJQYRXDE-UHFFFAOYSA-N 364.840 4.372 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7882242 QVBHFXVPTLOISZ-INIZCTEOSA-N 370.880 4.456 0 40 FIAB O=C(NCCc1ccco1)c1cn(-c2ccccc2)nc1-c1cccs1 8183605 FMKUXVJAJNKEOM-UHFFFAOYSA-N 363.442 4.166 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1cccc2ccccc12 8349245 TXCXHBKCUZKCKA-QGZVFWFLSA-N 370.456 4.183 0 40 FIAB C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)NCCC1=CCCCC1 9483127 LTQDJZVVHUFIPS-ZDUSSCGKSA-N 374.485 4.098 0 40 FIAB C[C@@H](Sc1nnc(N)s1)C(=O)n1c2ccccc2c2ccccc21 9489157 FHENDIHUHBBIDK-SNVBAGLBSA-N 354.460 4.049 0 40 FIAB CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 9987927 YKLBIFDJNDYQCK-JLHYYAGUSA-N 363.457 4.220 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 10260898 PGSXHJUANHQBDK-MRXNPFEDSA-N 358.804 4.124 0 40 FIAB CCCOc1ccc(-c2csc(NC(=O)c3cc(C)nn3CC)n2)cc1 11696036 MONCWXAPXKYDIX-UHFFFAOYSA-N 370.478 4.376 0 40 FIAB CC[C@H](C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088963 XFLHJQFIXIYMOI-KRWDZBQOSA-N 352.478 4.003 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1sccc1C 12147000 AQZCJTUEGQMIPZ-UHFFFAOYSA-N 355.507 4.354 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@H](C)c3ccncc3)cc12 12534852 XLSMYYKDECKBSP-CYBMUJFWSA-N 362.458 4.281 0 40 FIAB Cc1cc(SCC(=O)NCCCc2ccccc2)nc2ccccc12 12648742 ZMCSWPAVJZRIAJ-UHFFFAOYSA-N 350.487 4.384 0 40 FIAB Cc1sc(NC(=O)c2ccncc2)c(C(=O)NC2CCCCC2)c1C 13329626 MRNVEOWPJMVIJU-UHFFFAOYSA-N 357.479 4.075 0 40 FIAB C/C=C/C(=O)Nc1cccc(C(=O)Nc2c(C)nn(CCCC)c2C)c1 14405487 CVROSHUOMFCSCG-RMKNXTFCSA-N 354.454 4.067 0 40 FIAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)N(C(C)C)C(C)C)o1 15881539 SYYVEQYTFNKXJY-UHFFFAOYSA-N 368.481 4.460 0 40 FIAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 15992164 OGJPMPAQQLXQRL-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)Nc2nc3ccc(C)cc3s2)cc1 16246588 YEUKWPKFYNSGKK-UHFFFAOYSA-N 371.487 4.294 0 40 FIAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1sccc1-c1ccccc1 18005911 HSDCORQMGHNNGV-UHFFFAOYSA-N 368.433 4.265 0 40 FIAB COc1ccc(OC)c(CN[C@H](Cc2cccs2)c2nccs2)c1 19551709 CJVAATPSZBXOCV-MRXNPFEDSA-N 360.504 4.295 0 40 FIAB CCN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CNC2(CCCCC2)C1 19704030 RZHCAIXUCGKIRC-SFHVURJKSA-N 353.510 4.014 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)c1 20112320 FOZYVTJWLIXMKD-INIZCTEOSA-N 361.825 4.313 0 40 FIAB COc1ccc2c(ccn2CC(=O)Nc2cccc(OC(F)(F)F)c2)c1 20735493 PNTRSDBDXJAENN-UHFFFAOYSA-N 364.323 4.187 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 23709920 ZDGFODQKNFQARW-UHFFFAOYSA-N 362.429 4.421 0 40 FIAB Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)c2ccccc2)n1 24262024 JPRWXDZFUWVYFY-ZDUSSCGKSA-N 353.447 4.161 0 40 FIAB COc1ccc(CN(C(=O)c2ccc(Cl)cc2F)C2CC2)c(OC)c1 25292592 ZGHQRVBHXFOMPF-UHFFFAOYSA-N 363.816 4.301 0 40 FIAB Cc1nc(-c2ccccc2)c(C(=O)N2CCO[C@@H](c3ccccc3)C2)s1 27908485 ZMDKTNUBFJYCCH-GOSISDBHSA-N 364.470 4.332 0 40 FIAB CN1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1 30029057 FHWVMLRCTOZPNT-VYENPZKTSA-N 374.406 4.234 0 40 FIAB Cn1nccc1/C=C/C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 32451649 DOOUPRPQSAKCGH-MDZDMXLPSA-N 360.442 4.349 0 40 FIAB CCCCC/C=C/C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)N(C)C 35024821 BBJRTSLPWQUASB-FTJHYYFMSA-N 363.542 4.162 0 40 FIAB COc1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1 35290289 USHZXABXYKOHRR-UHFFFAOYSA-N 367.474 4.160 0 40 FIAB COc1cccc([C@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c1OC 35316379 FNFRADOLMFJCAJ-CQSZACIVSA-N 366.442 4.301 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1Cl 38753237 HTNGRVKJYSSISU-INIZCTEOSA-N 361.825 4.313 0 40 FIAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(OC(F)F)cc1 48202240 LIVRRZBNSOZZFI-UHFFFAOYSA-N 357.316 4.123 0 40 FIAB Cc1nc(SCC(=O)Nc2cccc(C)c2C)cc(-c2ccccn2)n1 49007095 QAQQTIJUFHLDNK-UHFFFAOYSA-N 364.474 4.195 0 40 FIAB O=C(NCc1ccccc1)N1CCC(Oc2nc3ccccc3s2)CC1 49442872 OFDLMMKRLOHHCC-UHFFFAOYSA-N 367.474 4.049 0 40 FIAB CC(C)CN1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1 54333080 CTCVVEYRPNYFSA-UHFFFAOYSA-N 353.393 4.407 0 40 FIAB biogenic Cc1cc(C(=O)N(C)c2nccs2)c2ccc(Br)cc2n1 55320742 DZJACBCYTBUVLK-UHFFFAOYSA-N 362.252 4.039 0 40 FIAB COCCCNC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C 61717883 OLRXSQDFQGAYLT-UHFFFAOYSA-N 359.278 4.192 0 40 FIAB CNC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 68373655 DCKWLYOQKJTVPZ-UHFFFAOYSA-N 360.417 4.116 0 40 FIAB Cc1cc(NC(=O)[C@H](C)SCc2csc(C3CCCC3)n2)no1 69158330 WAOWNLJWSVVRRD-NSHDSACASA-N 351.497 4.358 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(OCc2ccccc2)nc1 72212003 HPHWFEXFFFXUDA-UHFFFAOYSA-N 370.449 4.148 0 40 FIAB O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358945 GTVJHEVYCGZASS-QGZVFWFLSA-N 353.441 4.179 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NC1CCN(CCc2ccccc2)CC1 73954752 BOEPDCHGFGLBNX-UHFFFAOYSA-N 370.924 4.096 0 40 FIAB COc1cc(NC(=O)c2cc3cccc(OC)c3o2)c(OC)cc1Cl 78700786 PKQDUXKIBODISY-UHFFFAOYSA-N 361.781 4.364 0 40 FIAB C[C@@H](NC(=O)N1CCc2cc(F)ccc2C1)c1nc(C(C)(C)C)cs1 93792400 CRPOUECHAOHKTF-GFCCVEGCSA-N 361.486 4.409 0 40 FIAB CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 96024864 WOFWKVSYWXJCMQ-SFHVURJKSA-N 374.481 4.187 0 40 FIAB CCOc1ccc(CNC(=O)CCSCc2ccccc2)cc1OCC 218993863 IEXIPISTYDMGPF-UHFFFAOYSA-N 373.518 4.424 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3OC(C)C)n2)cc1 219746873 HXJOXWYCBVDVNN-UHFFFAOYSA-N 365.433 4.104 0 40 FIAB O=C(CCc1cccc2ccccc12)N1CCN(c2ccccc2F)CC1 222663507 HJOTXXOMLNABRA-UHFFFAOYSA-N 362.448 4.260 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 222928245 INIAEQGFUZIXPC-OAHLLOKOSA-N 359.491 4.004 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1cc(C)ccc1C 224024477 ZCESLLKALVRPLC-KRWDZBQOSA-N 361.869 4.309 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccccc3C)ccc2c1 224028447 KCZZOJSHRXOEQJ-OAHLLOKOSA-N 355.459 4.196 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c(C)c1 224422885 DYGQRFPAWSZCCO-SFHVURJKSA-N 355.478 4.389 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1 224852299 IBZKBMPIZWHXKP-UHFFFAOYSA-N 369.442 4.313 0 40 FIAB CCOc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 224942689 FHNNCUUDMNNYCY-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB COc1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 225182600 FEHCNIDAYSVGDE-UHFFFAOYSA-N 369.505 4.429 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCC(C)CC1 225640730 JZOBIONPLZGRKS-UHFFFAOYSA-N 374.525 4.085 0 40 FIAB Cc1cc(C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)n1 225991897 VLZGEUFNXVTDQE-UHFFFAOYSA-N 372.513 4.421 0 40 FIAB S=C(NC[C@@H]1CCCO1)c1ccc(OCc2ccc(Cl)cc2)cc1 408575263 NMVOZUJUQILVDZ-SFHVURJKSA-N 361.894 4.363 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 409103234 XNEXUTXRXHMTQX-UHFFFAOYSA-N 370.453 4.225 0 40 FIAB Cn1cc([C@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)o2)cn1 548015924 ZWDWYXLDLZBCAS-QGZVFWFLSA-N 351.406 4.173 0 40 FIAB CN(C)[C@@H](CNC(=O)/C=C/c1cccs1)c1csc2ccccc12 575621553 POGUPFCIZBMNCZ-FVNWOWOISA-N 356.516 4.395 0 40 FIAB CCN(Cc1cn2ccc(Br)cc2n1)[C@H](C)c1cccc(O)c1 579416994 WIPBMGJGGDAGAI-CYBMUJFWSA-N 374.282 4.386 0 40 FIAB C[C@H]1N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)c2ccccc2C1(C)C 619020962 AFSROHHOCZJYCA-OAHLLOKOSA-N 362.473 4.217 0 40 FIAB Cc1ccc(NC(=O)N2CCC(Oc3cncc(Cl)c3)CC2)cc1C 629475718 WWCPKEUQMBXKLS-UHFFFAOYSA-N 359.857 4.427 0 40 FIAB CC(C)=CCCn1c(-c2cccnc2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1706207930 WEUBYEWDCAZAQH-HKUYNNGSSA-N 351.498 4.465 0 40 FIAB Fc1ccc(-n2nnnc2SCc2ccc(Cl)cc2Cl)cc1 677625 MWVMEUGQTJQXAI-UHFFFAOYSA-N 355.225 4.401 0 40 FIAB COC(=O)c1ccccc1SCC(=O)Nc1cccc(C(F)(F)F)c1 984233 ZVHXMFQCRPVUEV-UHFFFAOYSA-N 369.364 4.223 0 40 FIAB CCSc1nnc2c3c4c(sc3nc(SC)n12)C[C@@H](C)CC4 1244227 WIPKGKCACPXOSQ-QMMMGPOBSA-N 350.538 4.298 0 40 FIAB Cc1ccccc1Cc1nnc2sc(Cc3c(F)cccc3Cl)nn12 2183306 ORGGHYQXTJRHOM-UHFFFAOYSA-N 372.856 4.468 0 40 FIAB Cn1cc([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)c2ccccc21 2322044 XUPCBVCKGKWKPI-GOSISDBHSA-N 354.409 4.379 0 40 FIAB O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1c1cc(Cl)ccc1Cl 2788773 RKSFBGBZFCTSGC-HNNXBMFYSA-N 363.269 4.052 0 40 FIAB O=C(CNC(=O)c1cccc(Cl)c1)OCc1ccc(Cl)cc1Cl 3224399 XNSYEXTWNUEWAU-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1cc2ccccc2o1 3228591 XOWRAWSLPIHOPU-UHFFFAOYSA-N 370.788 4.475 0 40 FIAB COc1cccc(/C=C(/C(=O)OCC(=O)OC(C)(C)C)c2ccccc2)c1 3325332 ZGLMESXTGGLWSE-XMHGGMMESA-N 368.429 4.121 0 40 FIAB CCc1n(CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccccc2[n+]1C 3878729 FXJNAOPQWIPEMZ-SQGPQFPESA-N 357.518 4.032 0 40 FIAB COc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1 4339985 INRQZCMQQZCUGB-UHFFFAOYSA-N 354.745 4.228 0 40 FIAB biogenic CCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 4816503 XIHMFWRVXCIHMQ-PMACEKPBSA-N 360.461 4.454 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)c1 4854362 VIBHAUASHBNRJJ-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB O=C(COC(=O)c1ccc2ccccc2c1O)Nc1cc(Cl)ccc1F 5039261 OIWYKHZZXNHCSW-UHFFFAOYSA-N 373.767 4.133 0 40 FIAB CCOC(=O)c1csc(Nc2nc3ccc(SC)cc3s2)n1 5122789 GPGBWPMCMNMARX-UHFFFAOYSA-N 351.478 4.395 0 40 FIAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)N(C)c1ccccc1 5263545 UMOZIBCQKMSBLU-CQSZACIVSA-N 355.438 4.155 0 40 FIAB CCSc1nnc(NC(=O)CCCOc2ccc(Cl)c(C)c2)s1 5443177 BORDRMAHDBCGQX-UHFFFAOYSA-N 371.915 4.410 0 40 FIAB CCOC(=O)[C@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 5870322 DTZQLRWEZWETGP-QMMMGPOBSA-N 362.398 4.268 0 40 FIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(OC)c(OC)c2)n1 5960121 RPWHLBVLRZFEBV-UHFFFAOYSA-N 362.385 4.187 0 40 FIAB biogenic COc1ccc(-c2ncncc2-c2ccc(Br)cc2)c(O)c1 6754741 YDMFGEPKYIJEGQ-UHFFFAOYSA-N 357.207 4.287 0 40 FIAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1cccc2ccccc12 6886676 QOSZXISYIIOXCG-BUHFOSPRSA-N 361.397 4.044 0 40 FIAB CCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccccc1 7262137 PHIAUEMNIXAQCH-UHFFFAOYSA-N 371.872 4.318 0 40 FIAB CN(CC(=O)Nc1cc(Cl)ccc1F)Cc1nc2ccccc2s1 7690235 UUUVWDYDNLEAFM-UHFFFAOYSA-N 363.845 4.159 0 40 FIAB COc1ccc2cc(CNCCc3ccc(OC)c(OC)c3)ccc2c1 8775626 QRTZDXMFLPMVJQ-UHFFFAOYSA-N 351.446 4.198 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 9668155 GPIIQKXXVNXEBW-IBGZPJMESA-N 355.434 4.358 0 40 FIAB C[S@@](=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 10372522 LTWDKCJFEOEEFU-CPJLOUKISA-N 370.499 4.011 0 40 FIAB COc1ccc2cc(CNC(=O)NCCc3cccc(F)c3)ccc2c1 10466102 AHMYAWILLMLEKA-UHFFFAOYSA-N 352.409 4.029 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1nnc(Cc2cccs2)o1 11694660 OLPHBGLKDYNOBR-UHFFFAOYSA-N 365.414 4.136 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1 11914654 GJZSDTBPDTWMPV-UHFFFAOYSA-N 367.405 4.175 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccccc2)ns1 11914973 ABCNYFOXJSJOAT-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB O=C(CCc1ccccc1)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 12128788 CLFZWJHXBRUSAS-UHFFFAOYSA-N 351.425 4.041 0 40 FIAB O=C1CCCN1CC[C@@H]1CCCCN1CC1(c2ccc(Cl)cc2)CC1 12364609 WWFFRYGFAUPCII-IBGZPJMESA-N 360.929 4.239 0 40 FIAB COc1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)c(OC)c1 12999501 FNUWWMOTMFZIDO-UHFFFAOYSA-N 363.413 4.459 0 40 FIAB CCc1cc2c(CN(C)Cc3ccccc3Cl)cc(=O)oc2cc1O 13058054 BYKBQNGVDAWCHH-UHFFFAOYSA-N 357.837 4.346 0 40 FIAB Cc1cc(C(=O)COc2ccc(CC(=O)O)cc2)c(C)n1CCC(C)C 13421151 MFQZIOVGQOCHIA-UHFFFAOYSA-N 357.450 4.040 0 40 FIAB CCOc1ccc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1 13668228 MKCBTDWKOISXTE-UHFFFAOYSA-N 354.233 4.087 0 40 FIAB O=c1[nH]c(=S)[nH]c2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13712322 QMXNOVONJRCDNX-UHFFFAOYSA-N 351.456 4.351 0 40 FIAB O=C(NCC12CC3CC(CC(C3)C1)C2)N1CC=C(c2ccc(O)cc2)CC1 14075570 NJXFCCBBJOHULE-UHFFFAOYSA-N 366.505 4.407 0 40 FIAB C[C@H]1CC(=O)c2cn3nc(SCc4cccc5ccccc45)nc3nc2C1 20632300 AHJRXFNWEPVUFC-CYBMUJFWSA-N 374.469 4.335 0 40 FIAB CCCCCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O 20673174 HKDYUGNYJWZVDY-UHFFFAOYSA-N 365.481 4.423 0 40 FIAB CCOc1ccc(CCC(=O)Nc2ccc(OC)c(OC)c2)cc1OCC 22531150 VGNUKNFLXJRMKG-UHFFFAOYSA-N 373.449 4.073 0 40 FIAB CSc1nc2ccc(NC(=O)c3ccc(OC(C)=O)cc3)cc2s1 23120669 IWTILCATSGDKLR-UHFFFAOYSA-N 358.444 4.196 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccccc1NC(=O)c1ccccc1 25879093 AVKGNODMGVKATL-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB C[C@@H]1CCc2ccccc2N1CC(=O)N(C)Cc1nc2ccccc2s1 26852294 NYXOTWOQGGLBPK-OAHLLOKOSA-N 365.502 4.096 0 40 FIAB Cc1c(C(=O)Nc2ccnn2Cc2ccco2)oc2ccc(Cl)cc12 32594236 MDLRAJLNIUZJDT-UHFFFAOYSA-N 355.781 4.485 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(Cl)cc1 32911586 WBYAJIPQSMAZFR-UHFFFAOYSA-N 353.853 4.197 0 40 FIAB CC(=O)c1ccccc1NC(=O)c1sc(Cc2ccccc2)nc1C 33150015 RQGOTJXDFWIHJT-UHFFFAOYSA-N 350.443 4.497 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)N1CC[C@@H](C)Sc2ccccc21 36619847 XSGGKDBIZLIPFJ-CQSZACIVSA-N 369.486 4.358 0 40 FIAB CCC[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 40071285 PYRRTGVVQWFBCJ-IBGZPJMESA-N 352.482 4.022 0 40 FIAB O=C(Nc1nc(C2CC2)cs1)c1cccc(OCc2cccnc2)c1 40141921 BAVGQIYFYRYQEU-UHFFFAOYSA-N 351.431 4.247 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 40946221 UJSDRLAFHDIMQO-INIZCTEOSA-N 354.450 4.092 0 40 FIAB COC(=O)C[C@@H](NC(=O)Nc1cccc2c1CCCC2)c1cccs1 43316773 UUWMZDYFXCMKHL-MRXNPFEDSA-N 358.463 4.053 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1)c1cccs1 48342967 GBAFUODTMXXELB-KRWDZBQOSA-N 365.458 4.306 0 40 FIAB CC[C@@H](C)NC(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58178065 SNVPBQPGSZIOKQ-GFCCVEGCSA-N 362.424 4.042 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 60575057 CEBLUTLGPWMKDF-GOSISDBHSA-N 366.461 4.369 0 40 FIAB CCc1nc(C)c(C(=O)N2CCCc3cccc(OC(F)F)c32)s1 64935069 KOAPMAHXABWELX-UHFFFAOYSA-N 352.406 4.208 0 40 FIAB O=C(CNc1ccccc1Cl)N1CCC[C@H](c2nc3ccccc3o2)C1 69006391 AGPLMXNXFLTYJN-AWEZNQCLSA-N 369.852 4.299 0 40 FIAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2c(C)nn(C(C)C)c2C)C1 72277763 PENRFRCKWYTOQB-KRWDZBQOSA-N 363.550 4.103 0 40 FIAB C[C@@H](CO)N(Cc1ccccc1)Cc1c(C(C)(C)C)[nH]c2ncccc12 72393645 VBVGXFJXAIJNIO-INIZCTEOSA-N 351.494 4.243 0 40 FIAB O=C(Cc1cccc2ccccc12)NCCc1nc(-c2cccs2)c[nH]1 86071831 SLEIYWNINAURKF-UHFFFAOYSA-N 361.470 4.193 0 40 FIAB Cc1ccc(-c2ncc(CN3CCO[C@H](c4nccs4)C3)s2)cc1 92832029 BUYYDLNYZQFJAG-INIZCTEOSA-N 357.504 4.149 0 40 FIAB Cc1cc(-c2noc([C@@H]3CCCNC3)n2)cc(C)c1OCc1ccccc1 95095393 SXMJNEUMSGXMEE-GOSISDBHSA-N 363.461 4.399 0 40 FIAB Cn1c(C2CCN(C(=O)CCCc3ccccc3)CC2)nc2ccccc21 96232153 ZOSLRGYFEXGYTN-UHFFFAOYSA-N 361.489 4.302 0 40 FIAB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(SC)nn32)cc1 100132638 JUKQCOJRZUVGMU-KRWDZBQOSA-N 350.447 4.065 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCCc1nnc(-c3ccccc3)o1)C2 107490469 QICIGKVDXYRERX-HOIFWPIMSA-N 367.493 4.390 0 40 FIAB Cc1nc2[nH]n(-c3ccccc3)c(=O)c2c2c1C[C@H](c1ccccc1)CC2 170622726 UESMUQNXQANOQH-QGZVFWFLSA-N 355.441 4.295 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 219316859 DWHOONBBTRQIFC-OAQYLSRUSA-N 355.478 4.300 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 219609271 MRXSFMKYEPHABK-SFHVURJKSA-N 372.852 4.263 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCCOc2ccccc2C(C)(C)C)c1 223699204 FEVPLZSRUVSTOG-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 224017625 XGEFCMHCUCXOFU-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccccc1Cl 224466251 HWCYALJLSNIFKM-KRWDZBQOSA-N 361.869 4.309 0 40 FIAB CC1CCN(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 225331084 VJWRWGPGFCTYOR-UHFFFAOYSA-N 357.325 4.164 0 40 FIAB Cc1ccccc1[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 225400744 MRIXKQNAJQHADY-JOCHJYFZSA-N 359.425 4.286 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(C)cc2)c1 225469131 UFHJQBJMDYJYJS-GFCCVEGCSA-N 362.882 4.483 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1C 225708448 HSLPZRUTAAQHMR-OAHLLOKOSA-N 355.507 4.053 0 40 FIAB COc1ccc(C2(NC(=S)Nc3cc(C)ccn3)CCCC2)cc1OC 225873459 UGIUFXJGIQBZDC-UHFFFAOYSA-N 371.506 4.163 0 40 FIAB O=C(NCC1CCN(C2CCSCC2)CC1)Nc1ccccc1Cl 252536606 IYPPIOWZSKNGTK-UHFFFAOYSA-N 367.946 4.069 0 40 FIAB Cc1ccsc1CN1CC2(C[C@@H](CCOCc3cccnc3)CCO2)C1 253599514 QTABPLVDMGRWQJ-SFHVURJKSA-N 372.534 4.039 0 40 FIAB Cc1nccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1 257309428 UAWXOTMTJXGFSG-QFIPXVFZSA-N 373.456 4.487 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)c(OC)c1OC 408564161 SCTHNZOUHQLQJV-NTUHNPAUSA-N 371.433 4.152 0 40 FIAB COc1cccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)c1 408655247 GRYBDFWWOKWRSB-MRXNPFEDSA-N 367.445 4.086 0 40 FIAB Cc1nc(-c2cccc(-c3noc([C@@H]4C[C@@]45CCc4ccccc45)n3)c2)n[nH]1 546465389 FGADILSTPYGGRL-PGRDOPGGSA-N 369.428 4.202 0 40 FIAB C[C@@H](C1CC1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 722982829 OYBQZMFDYOVZDB-RBZFPXEDSA-N 365.429 4.024 0 40 FIAB CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)CCCC2 1185524186 NOJQBPNXKAUWTC-UHFFFAOYSA-N 363.910 4.430 0 40 FIAB CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CCN1c1ccnc(C)n1 1642498523 LNQULZLNURSJGJ-QGZVFWFLSA-N 364.415 4.299 0 40 FIAB CC(C)c1nsc(N2CCC[C@H](COc3ncccc3Cl)C2)n1 2298192555 PTSHQTCOUHWUSD-LBPRGKRZSA-N 352.891 4.005 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 676572 YKECOWKKDWZLET-UHFFFAOYSA-N 366.490 4.258 0 40 FIAB Cc1cccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccccc2)c1C 938161 OUMBTAOFAJJUDT-UHFFFAOYSA-N 371.483 4.401 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3ccccc3n12 1223199 NMUUGAXJOQMUIV-INIZCTEOSA-N 368.506 4.074 0 40 FIAB CCc1cc(I)ccc1NC(=O)c1cccc(C)c1 1263737 FUHGPRXLQPJWSA-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1C 1379428 MZZURSSWVJLKBD-GOSISDBHSA-N 355.413 4.078 0 40 FIAB CC(C)CO[C@H](C)OC[C@H](C)Cc1cc2c(cc1Br)OCO2 1848592 BPJPRYBHLYSZHZ-OLZOCXBDSA-N 373.287 4.392 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2ccc(F)cc2)sc2c1CC[C@H](C)C2 1930449 FVIYLBUYORQGBV-JXPAYYINSA-N 373.449 4.451 0 40 FIAB Clc1ccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 2206186 AAXJMUFDZSTZSG-AWEZNQCLSA-N 370.821 4.019 0 40 FIAB CCCCn1c(N)c(C(=O)OC[C@H](C)CC)c2nc3ccccc3nc21 2399154 TUJQZFYKIBIYHC-CYBMUJFWSA-N 354.454 4.170 0 40 FIAB CCOC(=O)c1ccc(C(=O)CCc2cccc(Br)c2)cc1 2516704 DMMKYFWMLMHMRB-UHFFFAOYSA-N 361.235 4.441 0 40 FIAB COc1ccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 3549505 VCMWODBKQATOFA-UHFFFAOYSA-N 353.340 4.294 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1ccc(F)cc1 4393826 BYYXWVMJDRYRBQ-UHFFFAOYSA-N 355.390 4.297 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)CSc2ccc(Br)cc2)[C@@H]1C 4964261 ZLMSUHHWPVTRPX-LALPHHSUSA-N 356.329 4.482 0 40 FIAB CSC1=NC(C)=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)N1 5520785 IQHYIWSRFCTXCY-GOSISDBHSA-N 351.475 4.271 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccc(C)c3)o2)c1C 5901103 DSKHCOCEDAKNNW-UHFFFAOYSA-N 369.446 4.168 0 40 FIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2c(s1)CCCCC2 6111657 PUMHFAQXKNKDRY-UHFFFAOYSA-N 357.475 4.060 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C(=O)c2cccc3cccc1c23 6467798 GGGVBVMPIBHIDA-LBPRGKRZSA-N 350.805 4.481 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(OC)c1 6478737 RWDPMUIBRUVADV-VCHYOVAHSA-N 369.442 4.249 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)S[C@@H](C)C(=O)N2 6678969 XUFKYBCXCJSITN-LRDDRELGSA-N 355.488 4.405 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccs1 6883879 BKFRGPRUMFFOKY-UHFFFAOYSA-N 353.881 4.138 0 40 FIAB O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1ccc(Cl)cc1Cl 7058809 UKSAPZFBOIXFHD-QAQURRIXSA-N 370.320 4.292 0 40 FIAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1F 7235888 BOWONWGVFACDKB-UHFFFAOYSA-N 361.829 4.250 0 40 FIAB CC(C)Sc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 7381214 VMJLXXUDSPUUAA-UHFFFAOYSA-N 358.482 4.289 0 40 FIAB COc1cccc(Oc2ccc(NC(=O)c3cccnc3Cl)cn2)c1 7382563 MWEHFHKDCBAZTP-UHFFFAOYSA-N 355.781 4.183 0 40 FIAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC3CC3)cc12 7952755 UIONGHWHUZRSCY-UHFFFAOYSA-N 365.380 4.306 0 40 FIAB O=C(COc1ccc(Cl)cc1C1CCCCC1)NC[C@H]1CCCO1 8512633 PGCPQXARHXIRFM-MRXNPFEDSA-N 351.874 4.062 0 40 FIAB CCCOc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCCC1 8613232 UMWLAEMMHADFSW-LJQANCHMSA-N 358.526 4.346 0 40 FIAB CCCCNc1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)s1 9140689 FTHHCEKIEQMHJP-GFCCVEGCSA-N 350.513 4.178 0 40 FIAB CC(C)[C@H]1C[C@](CC(=O)NCc2ccco2)(Cc2ccccc2)CCO1 9575957 IFMHOVMPUCDZOD-IFMALSPDSA-N 355.478 4.350 0 40 FIAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)n1 10056677 DHTIRARFTBJWPN-IBGZPJMESA-N 358.397 4.097 0 40 FIAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)N2CCC(C)CC2)cc1C 11395008 JBSFIKKDXGCCBB-QGZVFWFLSA-N 357.523 4.228 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCc1nc2ccccc2[nH]1 11564426 XBHSZLYRGNWEAT-UHFFFAOYSA-N 362.260 4.461 0 40 FIAB Cc1ccc2nc(CNc3ccccc3Cc3ccccc3)cc(=O)n2c1 11623548 SREWFIKCXXCDKG-UHFFFAOYSA-N 355.441 4.206 0 40 FIAB Cc1cc(-c2cncnc2-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)on1 12158910 PYFGKNTUJXHHLY-SFHVURJKSA-N 374.444 4.080 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cnn(-c2ccccc2)c1 12271348 VDIVMOFUHUHJGN-FQEVSTJZSA-N 359.454 4.453 0 40 FIAB Cc1cc(OCCCC(=O)Nc2nnc(C(C)C)s2)ccc1Cl 12807725 JDRRDVSTCAUIIB-UHFFFAOYSA-N 353.875 4.421 0 40 FIAB Cc1c(C(=O)Nc2ccccc2O)cnn1-c1cccc(C(F)(F)F)c1 12909817 XSYLLWAFSHRKBL-UHFFFAOYSA-N 361.323 4.157 0 40 FIAB Cc1nc(C)c2c(C)c(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)sc2n1 12983417 RJQIXVDUSTUTSZ-MRVPVSSYSA-N 372.519 4.450 0 40 FIAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1Cl 13678074 RXNRRNXZXORKDI-UHFFFAOYSA-N 364.681 4.266 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)c(OC)c1 14170681 PGQBCXXEGKVFLJ-LJQANCHMSA-N 350.418 4.162 0 40 FIAB Cc1nc2cc(NC(=O)c3cccc(OCc4cscn4)c3)ccc2o1 14201343 UMDFVPHFTQJFSO-UHFFFAOYSA-N 365.414 4.424 0 40 FIAB COc1cc(CCC(=O)Nc2nc3ccc(C)cc3s2)cc(OC)c1 15582404 NLMHADLTZDEEQT-UHFFFAOYSA-N 356.447 4.193 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)c2cc(-c3cccc(F)c3)no2)c1 19718168 SRARVRQOLZQGDX-LJQANCHMSA-N 366.392 4.467 0 40 FIAB Cc1cccc(-c2n[nH]c(SCc3nnc(-c4cccc(C)c4)o3)n2)c1 19927577 ZNDMCZDVQUOAIB-UHFFFAOYSA-N 363.446 4.431 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Cl)cc1 20138243 QYBUQQFKULURCM-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB Cc1ccc(CCC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 22061855 GCWFNYVWCODXAS-UHFFFAOYSA-N 351.446 4.209 0 40 FIAB CCCc1cc(=O)oc2cc(Oc3nccc(C(F)(F)F)n3)ccc12 24053166 XTJNITRQGOMWLG-UHFFFAOYSA-N 350.296 4.347 0 40 FIAB CCN(Cc1nc(-c2cccs2)oc1C)C[C@H]1COc2ccccc2O1 31174691 FTIYIWWLBJBPII-HNNXBMFYSA-N 370.474 4.373 0 40 FIAB Cc1nc2ccccc2nc1COC(=O)c1cccnc1Oc1ccccc1 32666189 PCOAEEZRFZNMNH-UHFFFAOYSA-N 371.396 4.483 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(OCc2ccncc2)c1 32916050 INYYIEUIEOWHEA-UHFFFAOYSA-N 372.428 4.108 0 40 FIAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 35311812 GYDVNFIYICUFSG-UHFFFAOYSA-N 371.868 4.075 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)cc2F)c1 36357828 NJOMSAYGLUYIJI-OAHLLOKOSA-N 355.344 4.283 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2)c1 40106528 ZVZDUULERNIXOX-CYBMUJFWSA-N 363.841 4.004 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N(C)c1ccccc1 40130810 AXLYYIOIYVIPKS-UHFFFAOYSA-N 353.853 4.348 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44845363 NWYFHXLPVBUSLJ-INIZCTEOSA-N 371.477 4.129 0 40 FIAB COc1ccc(NC(=O)CCN2CCCCC2)cc1Cc1ccccc1 48263984 MPSNGUODYRHWEM-UHFFFAOYSA-N 352.478 4.101 0 40 FIAB Cc1noc(C)c1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccccc1Cl 49548487 RZRZHTSFAINDQJ-CYBMUJFWSA-N 356.813 4.313 0 40 FIAB Cc1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c(Br)c1 59423304 LIJIZQWIWSKNQQ-INIZCTEOSA-N 359.223 4.214 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1C 63848658 PJTCHSLZGGBEMS-UHFFFAOYSA-N 367.470 4.496 0 40 FIAB CCCN(Cc1cc(F)cc2c1OCOC2)[C@H]1CCc2ccccc2C1 64632570 UZGQJIWFMADQEH-NRFANRHFSA-N 355.453 4.462 0 40 FIAB CC[C@H](C)n1c(SCC(=O)Nc2ccccc2)nc2ccsc2c1=O 67335128 QQJDZICQNDGJAL-LBPRGKRZSA-N 373.503 4.160 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c(OC)c1 72405622 ZAEBYFPNDYHJTD-OAHLLOKOSA-N 369.446 4.134 0 40 FIAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)CCc1cccc(Cl)c1Cl 84637130 LGGWVMZCZCFPEZ-SMDDNHRTSA-N 356.249 4.147 0 40 FIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCC1 216345277 GXMSGDIVFOOPDI-KRWDZBQOSA-N 354.947 4.203 0 40 FIAB Cc1ccccc1OCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 224331305 ZWAFFFQYTINBDB-UHFFFAOYSA-N 366.505 4.036 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCC(C)C)s1 225009513 DNKWSRPRMXNINN-LBPRGKRZSA-N 351.497 4.001 0 40 FIAB CCOc1ccc(CNC(=S)Nc2ccc(OC)c(Cl)c2)cc1 225430250 XKJQMJRPZAQPBU-UHFFFAOYSA-N 350.871 4.234 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225734167 YWRPLAXPEUTHHJ-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225847502 OJBJTMSGKJIAFS-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)c1ccccc1 253562147 CXQXXKTZHUAVKS-UHFFFAOYSA-N 353.491 4.248 0 40 FIAB COc1cccc(Cc2cnc([C@H]3CCCN3C(=O)c3cccs3)o2)c1 257318780 VPIFXQIIZXJUTE-QGZVFWFLSA-N 368.458 4.313 0 40 FIAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 408561507 JAGSLBMCTCPYSO-MRCUWXFGSA-N 352.459 4.295 0 40 FIAB S=C(NC[C@H]1CCCO1)c1cccc(OCc2ccccc2Cl)c1 408578596 ZCVQIJLPYMRFJN-QGZVFWFLSA-N 361.894 4.363 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1C 408705713 LUOBYSMWVUFPAY-HXUWFJFHSA-N 373.518 4.211 0 40 FIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 408707460 BKIUHBMBEFHQKB-UHFFFAOYSA-N 352.478 4.362 0 40 FIAB CCCn1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 409328996 BXCYDALAQUPTKT-UYRXBGFRSA-N 359.429 4.144 0 40 FIAB COc1cccc(CN2CCc3sc(-c4csc(C)n4)cc3C2)n1 538996831 DOPFUWIYNIWBRK-UHFFFAOYSA-N 357.504 4.142 0 40 FIAB COc1cccc(OCC(=O)NCCc2ccc(-c3ccsc3)s2)c1 575414101 VBAFNKVIDAMRGX-UHFFFAOYSA-N 373.499 4.223 0 40 FIAB Cc1c(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CCCC2 607949972 DVAALKBJTDHWBA-AWEZNQCLSA-N 358.438 4.139 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775976750 FCOQMAYWYTWBFR-BEFAXECRSA-N 367.470 4.032 0 40 FIAB FC(F)(F)c1ccnc(OC2CCN(C/C=C/c3ccccc3)CC2)n1 1888864408 HBHXNLDCYAYABU-QPJJXVBHSA-N 363.383 4.052 0 40 FIAB Cc1cc(OCC(=O)Oc2ccc(Cl)cc2)ccc1Br 676627 RVMMIRKJTCHJPE-UHFFFAOYSA-N 355.615 4.395 0 40 FIAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1cccs1 781961 PFCXVERUKHUNEM-UHFFFAOYSA-N 365.410 4.003 0 40 FIAB Cc1cccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1 826198 CABNKXINDRVAJY-BBITVKMKSA-N 365.432 4.392 0 40 FIAB biogenic O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 1400073 UQJGWQRUQMBGJO-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1cc(Cl)ccc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O 1776997 JRWFBPFKJGDWJC-UHFFFAOYSA-N 361.228 4.080 0 40 FIAB CCC[C@@H](NC(=O)c1ccc(Br)o1)c1nc2ccccc2[nH]1 2369003 DFTAXIZNTZXFKI-GFCCVEGCSA-N 362.227 4.190 0 40 FIAB COc1ccc(CCNc2ncnc3c2[nH]c2ccc(Cl)cc23)cc1 2405847 AJNIJQDKVYMOLF-UHFFFAOYSA-N 352.825 4.428 0 40 FIAB NC(=O)c1ncc(C(F)(F)F)cc1Oc1cc(Cl)cc(Cl)c1 2567110 LZTNLGISCZBLKJ-UHFFFAOYSA-N 351.111 4.298 0 40 FIAB CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccs1 2626214 BQCLBLQFQWFJEA-UHFFFAOYSA-N 365.430 4.280 0 40 FIAB Clc1cccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)c1 3326007 QSBDBAOYONGTHK-UHFFFAOYSA-N 370.909 4.160 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)cc1 3331236 UMIVZEROEVTDML-UHFFFAOYSA-N 358.394 4.046 0 40 FIAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(Cl)cc2)c1Cl 3512120 UWXYEAQRAHKUFF-UHFFFAOYSA-N 373.623 4.146 0 40 FIAB COc1ccc2nc(SCC(=O)c3cc(C)n(C4CC4)c3C)[nH]c2c1 4274585 SEOZUXHIJJOXKK-UHFFFAOYSA-N 355.463 4.300 0 40 FIAB Cc1ccc(Cl)c2sc(NC(=O)[C@@H]3COc4ccccc4O3)nc12 4331452 AJINNJMOEOZJEO-ZDUSSCGKSA-N 360.822 4.037 0 40 FIAB COc1ccc(-c2nc(COC(=O)c3cccc(N(C)C)c3)cs2)cc1 5403346 QFDSGHQAHPBWNO-UHFFFAOYSA-N 368.458 4.242 0 40 FIAB CN(C(=O)COc1ccc(NC(=O)c2ccccc2)cc1)C1CCCCC1 5935661 QMGPTISZTBMGCD-UHFFFAOYSA-N 366.461 4.109 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c(C)c1 5961328 NRBOMDWTULAWMF-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 5980646 VXZQZCBQALHONX-AGHHOFFYSA-N 369.461 4.187 0 40 FIAB biogenic Cc1cc2oc(=O)cc(CSc3nnc4n3CCCCC4)c2cc1C 6097797 UOQBTPIWYWCHOX-UHFFFAOYSA-N 355.463 4.020 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)COc1cc(OC)ccc1C(C)=O 6561202 BJMAHUQFMBIGLP-AWEZNQCLSA-N 355.434 4.429 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)N(C)c3ccccc3)s2)c1 6654444 NYSQQZNZWAPASE-UHFFFAOYSA-N 370.503 4.345 0 40 FIAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)CCC4)c2)cs1 7109259 CWZOMXFNGMEIIB-UHFFFAOYSA-N 370.499 4.408 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(Br)ccc1Cl 7214862 DWCUXVXLQMSAQL-CQSZACIVSA-N 366.642 4.356 0 40 FIAB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 7262872 GVQJJJYGHRRUMG-GWQWUEFDSA-N 363.504 4.265 0 40 FIAB Cc1[nH]c(C(=O)Nc2ccc(Cl)cc2F)c(C)c1C(=O)OC(C)C 7474789 JMIJLGDEENIFDQ-UHFFFAOYSA-N 352.793 4.242 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1cc(Cl)ccc1Cl 7709441 CJDYTYROWWYHIX-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB COc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)cc1Cl 7807711 QICHWCCHHPKSHM-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB C[C@H](SCC(=O)NCCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 7942344 VUVLCNGVVUCRFQ-ZDUSSCGKSA-N 373.909 4.369 0 40 FIAB CC(C)c1ccc(-c2nnc(NC(=O)c3cn4ccccc4n3)s2)cc1 7987558 OLKZVIUXZRYKLO-UHFFFAOYSA-N 363.446 4.229 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8041578 WWJCUXICQMZKCM-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc2ccccc2c1 8163756 RWLSVGJFXANRRJ-INIZCTEOSA-N 373.456 4.406 0 40 FIAB Cn1c(SCc2ccc(Cl)cc2)nnc1[C@@H]1COc2ccccc2O1 8427983 VNNMTQLBDWOOIT-INIZCTEOSA-N 373.865 4.273 0 40 FIAB CC(C)c1nn2c(NC(=O)c3ccco3)c(-c3ccccc3)nc2s1 8845683 MYCRIISYLJORAS-UHFFFAOYSA-N 352.419 4.427 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(F)c1 8993599 FYHKBBWKJVAJDP-HXUWFJFHSA-N 362.360 4.326 0 40 FIAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(OC)cc2)no1 9061511 GNLUFNHSAGIBGR-UHFFFAOYSA-N 365.433 4.187 0 40 FIAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)NC1CCCCCC1 9155932 OESBHHUFJOKNRJ-LLVKDONJSA-N 351.497 4.118 0 40 FIAB Cc1nnsc1C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 9250884 QTZWIRBJAYGJRB-UHFFFAOYSA-N 363.398 4.076 0 40 FIAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(F)c(Cl)c1 9997031 ONQXJOYNPQYYLQ-UHFFFAOYSA-N 360.860 4.372 0 40 FIAB Cc1ccn2c(=O)cc(CSc3ncc(-c4ccc(F)cc4)o3)nc2c1 10714925 UPMFIFSMDCTVQD-UHFFFAOYSA-N 367.405 4.089 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)cc1 11637200 WIIUKEJGAONETA-LJQANCHMSA-N 355.434 4.276 0 40 FIAB O=C(CCC1CCCC1)N1CCC(c2cc3ncccc3c(O)n2)CC1 12232127 WOMFFSNPAFKODO-UHFFFAOYSA-N 353.466 4.012 0 40 FIAB CC(C)Cc1csc2nc(SCC(=O)Nc3ccccc3)nc(N)c12 12322347 BNXWXWILOLVJSU-UHFFFAOYSA-N 372.519 4.203 0 40 FIAB CCOC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 12396658 WNROUFJPPNTKLW-UHFFFAOYSA-N 358.797 4.390 0 40 FIAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(F)cc1 12534350 LFRJZTHDZYOIIP-JTQLQIEISA-N 372.450 4.202 0 40 FIAB CN(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1N1CCCCC1 12562681 DTCNHWPRFVWMIN-UHFFFAOYSA-N 373.447 4.026 0 40 FIAB CCc1cccc2c(-c3csc(CC(=O)NCc4ccco4)n3)c[nH]c12 12756956 BYNGXTAJKJWCDB-UHFFFAOYSA-N 365.458 4.306 0 40 FIAB O=C([C@H]1Cc2ccccc2O1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 13006883 JCQCZEAYQGGPRS-FYYLOGMGSA-N 355.437 4.164 0 40 FIAB Cc1ccc2cc(CN(C(=O)c3ccco3)C3CCCCC3)c(=O)[nH]c2c1 13750856 APVDCLRCOYXPDX-UHFFFAOYSA-N 364.445 4.405 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(F)c(Cl)c1 14002066 INRCPZMKLGBAFZ-UHFFFAOYSA-N 357.237 4.188 0 40 FIAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 14406134 YJQAGEBUHDDZOQ-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB Cc1cccc(C)c1NC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 14633244 IVOHVLOLZICVPQ-UHFFFAOYSA-N 367.836 4.063 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCCc1nc(-c2cccnc2)no1 15669639 IZQOASCNKKODDP-UHFFFAOYSA-N 356.813 4.055 0 40 FIAB C[C@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)NC1CCCCCC1 15711168 GXRBESWOVWWIIQ-NSHDSACASA-N 358.265 4.378 0 40 FIAB Cc1cccc(N2CCN(C(=O)COc3ccccc3C(C)(C)C)CC2)c1 16297719 AIOBJPOIOBSMGQ-UHFFFAOYSA-N 366.505 4.020 0 40 FIAB Cc1ccccc1CN(CCCN1CCOCC1)Cc1sccc1C 19237140 XHZXCCGQPJZUML-UHFFFAOYSA-N 358.551 4.089 0 40 FIAB C[C@H]1CCCCN1Cc1cccc(NC(=O)Cc2ccc3[nH]cnc3c2)c1 19662481 RNJRIKYFABYWOX-INIZCTEOSA-N 362.477 4.119 0 40 FIAB CCCCC(=O)Nc1nc(-c2ccc3c(c2)N(CCC)C(=O)CO3)cs1 19820318 LXGKCCYKYXAJCD-UHFFFAOYSA-N 373.478 4.074 0 40 FIAB O=S(=O)(Oc1ccc2c(Cc3ccccc3)noc2c1)c1ccccc1 20745310 VGKYEJDRHQTVFC-UHFFFAOYSA-N 365.410 4.186 0 40 FIAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccccc1 22075080 QYURARINJHLONL-NRFANRHFSA-N 363.457 4.097 0 40 FIAB O=C1CCSc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2N1 22871775 YQNDHAJAWCLZOM-UHFFFAOYSA-N 350.802 4.166 0 40 FIAB O=C(Cc1noc2ccccc12)N1CCCc2cc(C(F)(F)F)ccc21 24471661 QNGXQUNODIDVCL-UHFFFAOYSA-N 360.335 4.369 0 40 FIAB Cc1nc2ccccc2nc1SCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 28191672 KRAAYWPHFJLXKI-AWEZNQCLSA-N 369.465 4.389 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1C 29151172 HLTFGDDLTZBNNG-UHFFFAOYSA-N 369.446 4.102 0 40 FIAB CCN(CC)c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29482552 RNJGSDJNVDGACI-OAQYLSRUSA-N 351.494 4.091 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)s2)o1 30368795 JEMXEVMFGDUWOX-ZWNOBZJWSA-N 371.911 4.471 0 40 FIAB Cc1cnc(C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cn1 31039523 ZPWAWXHWEORQSV-UHFFFAOYSA-N 360.442 4.238 0 40 FIAB CCn1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cn1 32610306 IXSLKSNBYDFVED-UHFFFAOYSA-N 368.293 4.298 0 40 FIAB Clc1ccc(CN2CCC(Nc3ncnc4sccc34)CC2)cc1 32806433 OEMGPJXLPYEJTF-UHFFFAOYSA-N 358.898 4.421 0 40 FIAB Cc1csc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1 33563051 BDYYEFBBTJSPNQ-UHFFFAOYSA-N 368.483 4.413 0 40 FIAB COc1cccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)nsc32)c1 35324488 LWDCHDYALMURLT-HNNXBMFYSA-N 354.406 4.432 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCC1(c2ccc(F)cc2)CC1 38591315 YFLHHCZZVQDZFN-UHFFFAOYSA-N 361.844 4.485 0 40 FIAB O=C(Oc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 40059799 KFADMMYAJBYSMQ-LLVKDONJSA-N 368.216 4.044 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 40097876 XRYZCJKXWNWSMZ-UHFFFAOYSA-N 352.312 4.098 0 40 FIAB O=C(NCCCn1cnc2ccccc21)N1CCC[C@@H]1c1ccsc1 43857978 GTSWXYLRLGMBPU-QGZVFWFLSA-N 354.479 4.035 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)c1cnn(C(C)(C)C)c(=O)c1Cl 48325356 SAJGUMBOTNURGC-UHFFFAOYSA-N 373.806 4.307 0 40 FIAB CN(C)[C@H](CNC(=O)c1sccc1-c1ccccc1)c1ccccc1 48354459 IUTZZOOEIAERSG-LJQANCHMSA-N 350.487 4.448 0 40 FIAB CSc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1 51319188 WFFMSMJSFLCMTJ-UHFFFAOYSA-N 363.489 4.251 0 40 FIAB Cc1ccc2c(CN3CCC[C@@H]3CN(C)c3ccccc3)cc(=O)oc2c1 58156865 QSICZGJWEAZIIK-HXUWFJFHSA-N 362.473 4.202 0 40 FIAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccccc1Cl 58213348 MSNKEEWKNGSSEK-UHFFFAOYSA-N 361.779 4.424 0 40 FIAB O=C(CC1CCCC1)NCC(=O)Nc1ccc(SC2CCCC2)cc1 58228870 LKTZQHOODJFXNX-UHFFFAOYSA-N 360.523 4.356 0 40 FIAB COc1ccc(CCCNC(=S)Nc2cccc(Cl)c2)cc1OC 64936483 ROKVTGYBTMEQJB-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)N(Cc1ccccn1)c1ccc(F)cc1 65529690 WZQMRRSNGSMVDG-UHFFFAOYSA-N 359.404 4.478 0 40 FIAB COc1c(F)cc(NC(=O)c2cnc(-c3ccccc3F)s2)cc1F 67752974 SPSVVRHLBKIUNT-UHFFFAOYSA-N 364.348 4.488 0 40 FIAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2cccs2)CC1 75157073 MRAKMWCVZSCKKQ-UHFFFAOYSA-N 355.912 4.278 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1cc(OCc2ccccc2)no1 85558505 OJOGHAONQPGAGP-MRXNPFEDSA-N 350.418 4.005 0 40 FIAB O=C(OCc1c(Cl)cccc1Cl)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102351169 WUHWORIZMJHGNX-SKLAPFLYSA-N 355.261 4.368 0 40 FIAB Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc(-n3cnnc3)cc2)cc1 133693766 NLRVRNDJCBCYKP-DYESRHJHSA-N 360.461 4.189 0 40 FIAB Cc1ccc(CCCC(=O)NCC2(c3ccccc3)CCOCC2)s1 175606250 VNBROFZBJKJHAL-UHFFFAOYSA-N 357.519 4.244 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)COc1ccccc1C 219323961 VVNGPPUKMPWUJW-YJBOKZPZSA-N 361.869 4.390 0 40 FIAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 224419702 NNAOUKOXDPFPMI-DLBZAZTESA-N 355.463 4.459 0 40 FIAB CCSc1nnc(NC(=O)CSCc2cc(C)cc(C)c2)s1 225053261 WBABADNIXWEPPJ-UHFFFAOYSA-N 353.538 4.139 0 40 FIAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)N1CCCCCC1 227153266 VRABKOMPSUGVJY-UHFFFAOYSA-N 361.873 4.086 0 40 FIAB Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCCN2Cc2ccc(F)cc2)n1 257326159 WWBHAXZQXLUISR-LJQANCHMSA-N 351.429 4.041 0 40 FIAB O=C(c1ccsc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826224 FTCIYFVDKIBQGX-UHFFFAOYSA-N 366.490 4.092 0 40 FIAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccc(F)c1 408615372 PNZOVCADSVTTNS-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CCCCc1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1 408623093 QSRZLEJTANMAFU-UHFFFAOYSA-N 372.490 4.173 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OC 409024936 ZOANKPYYEAHJBC-MDWZMJQESA-N 355.843 4.192 0 40 FIAB COc1ccc(-c2noc([C@@H](NC(=O)c3cccc(C)c3)C(C)C)n2)cc1 585152258 HKBRGQQOCXZBNC-SFHVURJKSA-N 365.433 4.181 0 40 FIAB COc1cc(NC(=O)NC[C@@H]2CCC3(CCCC3)O2)ccc1OC(C)C 654039745 KERZDFJVXDGVKQ-INIZCTEOSA-N 362.470 4.096 0 40 FIAB c1cc(-c2nnc(-c3cccc([C@@H]4CCOC4)c3)o2)cc([C@@H]2CCOC2)c1 1614621758 KWRRDLKSFUOPKY-WOJBJXKFSA-N 362.429 4.411 0 40 FIAB O=C(Nc1ccc(Nc2ccccc2)cn1)N[C@H](c1ccncc1)C1CC1 1679359676 IMRGCIOYZAKIOT-FQEVSTJZSA-N 359.433 4.493 0 40 FIAB CCSCc1nnc2sc(COc3cc(C)ccc3C(C)C)nn12 1776111097 ZCKUZGMNBZCFPK-UHFFFAOYSA-N 362.524 4.450 0 40 FIAB COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1Cl 652598 UJMVNZOYCGKKDC-UHFFFAOYSA-N 373.762 4.080 0 40 FIAB c1ccc(Oc2nc(NCc3ccco3)nc(NCc3ccco3)n2)cc1 856764 AMKVHBJHDVSIQE-UHFFFAOYSA-N 363.377 4.074 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c1 869058 KJGZKNGZEPOXOA-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB COc1ccc(C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1OC 878129 XEZRENGLSWDGMD-UHFFFAOYSA-N 368.458 4.312 0 40 FIAB O=c1c2ccccc2nc(C(Cl)(Cl)Cl)n1Cc1ccccc1 984132 ARYAXCHOMAXIHW-UHFFFAOYSA-N 353.636 4.272 0 40 FIAB O=C(OC1[C@H]2CC[C@@H]1[C@H]1CN(CCc3ccccc3)C[C@@H]21)c1ccccc1 1009788 MWVAYBRVMWOVBX-UKTKTSIOSA-N 361.485 4.043 0 40 FIAB C=C(c1ccc(OC)c(OC)c1)c1nccc2cc(OC)c(OC)cc12 1036943 XAJQQWJXGJCHBQ-UHFFFAOYSA-N 351.402 4.331 0 40 FIAB COc1ccc(-n2nnnc2SCc2ccc(Cl)cc2Cl)cc1 1101513 HQNIBQMWTCMLNZ-UHFFFAOYSA-N 367.261 4.270 0 40 FIAB CCC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O 1359350 QZQHSQWTLFMLEO-UHFFFAOYSA-N 362.473 4.338 0 40 FIAB Clc1ccc2[nH]c3c(N4CCN(c5ccccc5)CC4)ncnc3c2c1 2354262 KDHCXQQJMRTJBR-UHFFFAOYSA-N 363.852 4.091 0 40 FIAB CC[C@@H](C)OC(=O)c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 2407014 DBCZUJTZMCCGFE-GFCCVEGCSA-N 352.438 4.237 0 40 FIAB CCN(CC)CCNC(=O)c1cc(-c2cccs2)nc2ccccc12 2460361 HQLLPYXBPXDTCN-UHFFFAOYSA-N 353.491 4.035 0 40 FIAB Cc1cc(C(F)(F)F)nn1C(=O)COc1ccc(Cl)cc1Cl 2762052 MWCKNIASWKJHNC-UHFFFAOYSA-N 353.127 4.236 0 40 FIAB Cc1nn(C)cc1CNC(=O)c1sc2cc(Cl)ccc2c1Cl 2769266 VJGJSOWEAHURPA-UHFFFAOYSA-N 354.262 4.180 0 40 FIAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1F 3008112 HCTWNXKAKBKBQX-UHFFFAOYSA-N 357.385 4.150 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2ncsc2c1 3516858 ORAYICAVCQYWFU-UHFFFAOYSA-N 355.415 4.255 0 40 FIAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccco1 4120886 DHPJQMQDKYOJHJ-UHFFFAOYSA-N 351.189 4.480 0 40 FIAB Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1 4128233 LWYDHIFSDUAOND-OAQYLSRUSA-N 359.477 4.249 0 40 FIAB CCCCn1cc(S(=O)(=O)c2ccc(F)cc2)c(=O)c2cc(C)ccc21 4193411 PSHIGQZOKMTBIH-UHFFFAOYSA-N 373.449 4.082 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 4856767 UPPFCJZRJAQWLZ-SEJPIABJSA-N 365.546 4.477 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 4893586 JLXSXEZFDXMHTO-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccccn1 4909783 IRELIELMQOTRNT-GOSISDBHSA-N 352.825 4.080 0 40 FIAB CCOCCSc1nc2c(c(=O)[nH]1)[C@@H](C1CCCC1)Cc1ccccc1-2 5690554 NBHYGBWSQKKJJN-QGZVFWFLSA-N 370.518 4.395 0 40 FIAB N=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc2c(c1)OCO2 5766397 HSLPRMSWCIIZBV-ZSYAZXSUSA-N 358.806 4.124 0 40 FIAB C[C@@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1 5828933 ZJFKCIJCQBUXTR-QGZVFWFLSA-N 359.425 4.461 0 40 FIAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1 5859310 IGVDXKCBSLQSRV-UHFFFAOYSA-N 355.434 4.097 0 40 FIAB CCOc1ccccc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 6303785 ASHOQDVNJHWOAQ-UHFFFAOYSA-N 368.477 4.141 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1Cl 6322862 ZUFXPRNYJAETDO-UHFFFAOYSA-N 372.833 4.487 0 40 FIAB CC1(C)CC(=O)c2c(O)c(-c3ccccc3)c(=O)n(-c3ccccc3)c2C1 6394414 KRRMSSNFWTWVAT-UHFFFAOYSA-N 359.425 4.365 0 40 FIAB Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 6526900 WCUKARAFPSIBFX-DJCSNXPJSA-N 371.859 4.429 0 40 FIAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4ccccc4O)nc3c12 6669345 RNWHALNSAPOLAI-UHFFFAOYSA-N 355.401 4.058 0 40 FIAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc2ccccc2n1 6822730 UUJZRGORTKUQMH-ZRDIBKRKSA-N 374.440 4.068 0 40 FIAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1Cc1ccccc1 7344680 AWVBTVHTXWOMIH-UHFFFAOYSA-N 359.351 4.131 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1C(C)C 7361173 HCHAPZDHHJBQKI-UHFFFAOYSA-N 363.479 4.407 0 40 FIAB COc1ccc(-n2c(N)c(C(=O)Nc3ccc(C)cc3)sc2=S)cc1 7499934 JZKSGOGYPBFYFF-UHFFFAOYSA-N 371.487 4.420 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)NC12CC3CC(CC(C3)C1)C2 7608277 IAKBKNSYRVASGE-UHFFFAOYSA-N 352.503 4.438 0 40 FIAB O=C1CCCN1c1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1 7612782 PUNVFJWUVAHASE-UHFFFAOYSA-N 350.447 4.050 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 7719602 VJUNIXBRUYTAEY-FQEVSTJZSA-N 368.477 4.096 0 40 FIAB Cc1cccc(OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 7889934 JVHZDSMVSBGQJL-FQEVSTJZSA-N 355.434 4.480 0 40 FIAB CN(CC(=O)Nc1ccccc1Br)[C@H]1CCCc2ccccc21 8126858 LJDOBVVWYOYWNL-SFHVURJKSA-N 373.294 4.397 0 40 FIAB COc1ccc(Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 8208873 PTDOGELCCXFEEL-UHFFFAOYSA-N 351.431 4.447 0 40 FIAB Cc1nc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2o1 8406555 HJTKYNUUDYROBT-UHFFFAOYSA-N 351.189 4.461 0 40 FIAB COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 8497963 FEPWRAFNAHUJLC-LBPRGKRZSA-N 370.276 4.051 0 40 FIAB CCCC(=O)Nc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 10120204 OCTOMIGCFSAKNP-UHFFFAOYSA-N 370.405 4.259 0 40 FIAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2cccnc2)N1c1ccccc1 10950701 UKOJPDVBSYRVRV-OAQYLSRUSA-N 367.412 4.243 0 40 FIAB COc1cccc(-c2cc(CC(=O)Nc3ccc(F)c(Cl)c3)no2)c1 11693184 GPLNTQGLUUOWLH-UHFFFAOYSA-N 360.772 4.324 0 40 FIAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 12020198 LLFJRAVCSWXZCL-UHFFFAOYSA-N 374.868 4.091 0 40 FIAB CCCCC1CCC(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)CC1 12180782 RJLJOIXCKOOSBX-UHFFFAOYSA-N 355.482 4.246 0 40 FIAB CC(=O)c1cccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 12592283 KYKYBYCKTDDOGM-OAQYLSRUSA-N 364.470 4.268 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1cccc(Cl)c1 12601177 FVVOYDQCSOGAEN-DBTPVHCXSA-N 371.864 4.034 0 40 FIAB O=C1CCC[C@H]1Sc1nnc(Cc2cccs2)n1-c1ccccc1 12635460 FXZGZMLXEKPJEH-MRXNPFEDSA-N 355.488 4.133 0 40 FIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cc1cccc(C(F)(F)F)c1 12760479 XDECQRDTWMIJEN-LBPRGKRZSA-N 362.351 4.012 0 40 FIAB CC(=O)c1ccc(OC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 12787701 FHJSVXHXHPSKGD-UHFFFAOYSA-N 371.389 4.283 0 40 FIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1F 12792598 IVRUBVMFZVLOTN-STQMWFEESA-N 361.486 4.321 0 40 FIAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCC2)cc1 12852425 HUQCFJJSXZZBLX-UHFFFAOYSA-N 352.434 4.466 0 40 FIAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cccc(Br)c1 12868316 QPRLDAKSECMSPZ-VIFPVBQESA-N 356.166 4.133 0 40 FIAB COCCN(Cc1ccccc1)C(=O)Cc1coc2c(C)c(C)ccc12 12901830 AUOUJWLZJYSDBW-UHFFFAOYSA-N 351.446 4.267 0 40 FIAB CN(C(=O)Cc1csc(-c2ccccn2)n1)c1nc2ccccc2s1 12923902 OJTQLMJVPLMFDO-UHFFFAOYSA-N 366.471 4.020 0 40 FIAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1 12985093 TVQKUKDOQMWSMF-KRWDZBQOSA-N 365.882 4.265 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl 15608616 CWLSMDSAQJBRMC-GFCCVEGCSA-N 362.832 4.189 0 40 FIAB CCc1ccc(-n2c(C)nnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 17971113 NHRFYMXHFGBQHD-GASCZTMLSA-N 372.538 4.020 0 40 FIAB Cc1cnc2[nH]c(C(F)(F)F)c(CN(C)CCOc3ccccc3)c2c1 19124946 UPKGDQWRXIQRDR-UHFFFAOYSA-N 363.383 4.401 0 40 FIAB COc1ccc(C2(C(=O)Nc3ccc4c(C)c(C)c(C)nc4n3)CC2)cc1 19581598 OYDHUJDOCFKKAF-UHFFFAOYSA-N 361.445 4.234 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1OC 20045936 SNAOCJPFXXXZFO-CHWSQXEVSA-N 363.841 4.002 0 40 FIAB CCC[C@@H](O)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)OCCO2 20096374 YSCGFLXRFKEKAG-MRXNPFEDSA-N 361.825 4.197 0 40 FIAB Cc1cnc2c(S(=O)(=O)N3CCC[C@@H]3c3cccs3)cccc2c1 26112447 GBKMCUCAMCQECF-OAHLLOKOSA-N 358.488 4.131 0 40 FIAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c1 35142338 WPOZRAXLPOUEII-KDOFPFPSSA-N 359.853 4.475 0 40 FIAB Cc1cccc(C(=O)N[C@H](C(=O)N[C@@H](C)c2cc(C)ccc2C)C(C)C)c1 36062695 HSOGSXNBVWPQCD-RXVVDRJESA-N 366.505 4.244 0 40 FIAB CCn1ncc(-c2cc(C(F)F)nc(N3CCc4ccccc4C3)n2)c1C 36618588 CBMXRZOKYOKRMA-UHFFFAOYSA-N 369.419 4.169 0 40 FIAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2Cl)C1=O 36635561 TXPGAASVPBKMON-HNNXBMFYSA-N 363.244 4.300 0 40 FIAB Cc1nc2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2nc1C 39980529 WIUIFAHZLDYYLT-UHFFFAOYSA-N 373.378 4.238 0 40 FIAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cn2ccccc2=O)cc1 40134833 TVAFMSSOXWCJII-JLHYYAGUSA-N 364.832 4.202 0 40 FIAB CCN(Cc1ccccc1NC(=O)[C@H](C)SCc1ccccc1)C(C)=O 44507094 WSMAASNZPIFSSE-INIZCTEOSA-N 370.518 4.315 0 40 FIAB Cc1ccc([C@H](C)N(C)Cc2nc(COc3ccc(F)cc3)no2)s1 48302897 NWGMPBNMVVLXNV-ZDUSSCGKSA-N 361.442 4.351 0 40 FIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)CCc1cccs1 48342532 BTVJKNGZTROLRJ-LBPRGKRZSA-N 352.297 4.191 0 40 FIAB O=C(NCc1ccco1)c1csc(-c2cc(Br)cs2)n1 48754098 RWMQAWWCRXBTEY-UHFFFAOYSA-N 369.265 4.157 0 40 FIAB CSc1ccc(Nc2ncccc2S(=O)(=O)Nc2ccccc2)cc1 49402332 QCYHQAYEHFAIOU-UHFFFAOYSA-N 371.487 4.348 0 40 FIAB Cc1nc(-c2cccc(NC(=O)[C@H]3CC(c4ccccc4)=NO3)c2)oc1C 54235224 MIMIPNVBRJXPKU-LJQANCHMSA-N 361.401 4.090 0 40 FIAB Cc1nc(Cc2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)[nH]2)cs1 55501921 AGUARJRETQNXRD-UHFFFAOYSA-N 371.462 4.455 0 40 FIAB C[C@@H](NCC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1 57620369 SSIFODYPXIUDGD-OAHLLOKOSA-N 357.885 4.230 0 40 FIAB CC(C)N(C)c1ccc(NC(=O)[C@@H](C)n2cnc3ccccc32)cc1F 58405748 DRAFNHVWAZQQDK-CQSZACIVSA-N 354.429 4.220 0 40 FIAB C[C@@H](O)CNc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 65547888 BSHIYUCLZAXQHS-LLVKDONJSA-N 350.249 4.184 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(Cc3ccc(F)cc3)n2)c(O)c1 65617185 MLXKHJQZUQYTOO-UHFFFAOYSA-N 356.422 4.068 0 40 FIAB Cc1cccc(-c2ccc(C(=O)N(C)C[C@@H](C)c3ccccc3)c(=O)[nH]2)c1 66458557 SFMZVAFYTWEULR-QGZVFWFLSA-N 360.457 4.226 0 40 FIAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3cccnc3)N1CC2 72342184 OJAGPSSJVXJAAQ-PKTZIBPZSA-N 373.456 4.171 0 40 FIAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)c1ccc2c(c1)OCO2 72404618 QPGIGBHYOOXEHH-UHFFFAOYSA-N 373.368 4.336 0 40 FIAB O=C(Nc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165906 YNSAUPOZPNVQDV-ROUUACIJSA-N 353.422 4.368 0 40 FIAB O=C(c1c(F)cccc1Cl)N1CCC(CSC2=NCCS2)CC1 77101459 GOYLVYODZQXUBB-UHFFFAOYSA-N 372.918 4.167 0 40 FIAB CC(C)c1nncn1CCNc1ncnc2scc(-c3ccccc3)c12 80759152 KZAOVYMMZSYJEV-UHFFFAOYSA-N 364.478 4.185 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccccc2-n2cccn2)s1 84205071 WOARNLWZMNACEI-OAHLLOKOSA-N 367.474 4.083 0 40 FIAB COCc1cccc(OCC2(COc3ccccc3NC(C)=O)CC2)c1 95453229 UVACQEYHXZVVDJ-UHFFFAOYSA-N 355.434 4.029 0 40 FIAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(C(F)(F)F)cc1 95473411 PYRAQPIWKWVDOX-CYBMUJFWSA-N 371.384 4.200 0 40 FIAB CCOC(=O)CC[C@H]1CCCCN1C(=O)CCc1ccc(Cl)s1 95974304 SNDRKPXXNGPOPX-CYBMUJFWSA-N 357.903 4.059 0 40 FIAB CO[C@@H]1CCN(c2ccc(NC(=O)CCSc3ccccc3)cc2)C1 96122219 FWJUZFCAUHAWHR-GOSISDBHSA-N 356.491 4.033 0 40 FIAB O=C1OC(c2ccccc2F)=N/C1=C/C1=Cc2cc(Cl)ccc2OC1 96935622 CCJYAWOXPCHMBZ-LZYBPNLTSA-N 355.752 4.142 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 102465889 MJMHIKIDQMCPJC-FHWLQOOXSA-N 351.494 4.274 0 40 FIAB Cc1ccc(OC2CCN(C(=O)c3oc(CC(C)C)nc3C)CC2)cc1 188832119 GWLCRLUGFYHCRV-UHFFFAOYSA-N 356.466 4.174 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1cc(C)ccc1C 224025377 UOXRMJBKINLZOK-IBGZPJMESA-N 355.478 4.273 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NC[C@@H](C)c2ccccc2)CC1 224526793 NSVSTAKGKFBFMN-LJQANCHMSA-N 350.506 4.127 0 40 FIAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 224590487 FIYAVGRBOLLEEI-IAGOWNOFSA-N 353.472 4.026 0 40 FIAB CCCCCNC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224889631 MSXVBJMUCMILLQ-UHFFFAOYSA-N 365.271 4.343 0 40 FIAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl 225265814 YTDPZLUDPKVOGF-NSHDSACASA-N 374.289 4.183 0 40 FIAB COc1cc(CNC(=O)c2ccc(Cl)cc2F)ccc1OC(C)C 225524216 FSHTUBLXEPVISJ-UHFFFAOYSA-N 351.805 4.205 0 40 FIAB COc1ccc(SCCCNC(=S)Nc2ccc(F)cc2F)cc1 225803097 VYXCWKGHUNURAV-UHFFFAOYSA-N 368.474 4.442 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 225813851 LEEKUIWOAKLFAT-UHFFFAOYSA-N 368.462 4.010 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(C)COC(C)(C)OC2)c2ccccc12 225915446 XBMBTKCPBUPMCT-UHFFFAOYSA-N 357.450 4.355 0 40 FIAB O=C(Cc1c(F)cccc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390830442 LDQKUSPCNJUSGD-KBPBESRZSA-N 374.843 4.018 0 40 FIAB CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccccc1 408577620 UBLOQECVNXPXKX-SFHVURJKSA-N 371.502 4.108 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2N(C)CC1CCN(C(=O)CC(C)C)CC1 585080494 IMTMDDZGUDBNGC-QFIPXVFZSA-N 372.553 4.289 0 40 FIAB O=C([C@@H](Nc1ccc2c(c1)CCCO2)c1ccccc1)N1CCCCC1 725843393 VDCKOQYIZXMCKS-NRFANRHFSA-N 350.462 4.177 0 40 FIAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccc2ncsc2c1 1775969111 XYOYQARPLRVYNN-CQSZACIVSA-N 370.455 4.081 0 40 FIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(=O)O)cc1 80998 YRIAFHAAAPIKCE-UHFFFAOYSA-N 350.374 4.162 0 40 FIAB CCOC(=O)COc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1 956079 QNUZPMSHLURJND-UHFFFAOYSA-N 355.434 4.006 0 40 FIAB CCOC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 1447927 MSFCWHWGMSSYQV-UHFFFAOYSA-N 372.804 4.364 0 40 FIAB biogenic Cc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1 2497164 SAFFQXIHUBKGDX-UHFFFAOYSA-N 371.439 4.117 0 40 FIAB CCN(CC)C(=S)SCC(=O)Nc1c(Cl)cccc1Cl 2680050 IYCCGQVAYDEOOE-UHFFFAOYSA-N 351.324 4.292 0 40 FIAB c1ccc2c(c1)ncn1nc(Cn3c4c(c5ccccc53)CCCC4)nc21 2806570 IVZULKHAJYANQK-UHFFFAOYSA-N 353.429 4.159 0 40 FIAB O=C(CSc1ccc(Br)cc1)NCCCc1ccccc1 3264273 XADLCOMAURNVSV-UHFFFAOYSA-N 364.308 4.290 0 40 FIAB CC[C@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 3515533 DUNDKOAGOJMBRK-INIZCTEOSA-N 365.351 4.381 0 40 FIAB Cc1nc(Cc2ccccc2)c2c(c1OCCCCNC(C)C)COC2 3643459 KXSKBNFNSAMNEZ-UHFFFAOYSA-N 354.494 4.168 0 40 FIAB in-man CCN(CC)CCCNC(=O)C[C@H](CCC(C)C)[C@@H]1CCOC(C)(C)C1 4086210 OVLXPNIOIDLIFE-VQTJNVASSA-N 368.606 4.482 0 40 FIAB biogenic Cc1cccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)CSC3)c1 4223333 RDEVCGZMLOAPIE-UHFFFAOYSA-N 371.412 4.458 0 40 FIAB COc1ccc(-n2nnnc2C2(Nc3cccc(C)c3)CCCCC2)cc1 4868309 IWTIYYLWTLZNEF-UHFFFAOYSA-N 363.465 4.251 0 40 FIAB COc1ccc(-c2nc(CSc3nnc4ccccn34)cs2)cc1 5213012 BXKJTNSFZBVIGU-UHFFFAOYSA-N 354.460 4.154 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)Cc1c[nH]c2ccccc12 5400729 VUUMEDWGZQKTRT-CQSZACIVSA-N 360.413 4.315 0 40 FIAB C[C@H](OC(=O)c1ccc(F)cc1Cl)C(=O)Nc1ccc(F)cc1Cl 5897557 RWOYAEDFUDLXNS-QMMMGPOBSA-N 374.170 4.456 0 40 FIAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)c1 6419028 BPVZKAPMNKDULJ-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)c1 6478753 CFOBTQVBBAAKBP-MHWRWJLKSA-N 354.387 4.140 0 40 FIAB CCc1ccc(CC)c(C(=O)CSc2nnc(-c3ccoc3C)n2C)c1 7236406 SXOGPYXSVRRSKA-UHFFFAOYSA-N 369.490 4.483 0 40 FIAB COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1F 7271227 JLWJMAGGLXKUEA-UHFFFAOYSA-N 353.846 4.151 0 40 FIAB COc1ccc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[nH]c2c1 7286834 LGOWVMWOSXNYOO-NSHDSACASA-N 352.419 4.475 0 40 FIAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1 7424964 GTKYCKKYAXPPFB-IBGZPJMESA-N 367.376 4.072 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cs1 7773981 FCBGHDRFHXZURG-CYBMUJFWSA-N 372.519 4.280 0 40 FIAB Cc1cccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 7889888 FAVVHELMCCOUPR-UHFFFAOYSA-N 366.486 4.390 0 40 FIAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1Br 8088515 RJAYVSPUAJCWLM-GFCCVEGCSA-N 355.235 4.488 0 40 FIAB O=C(/C=C/c1cccs1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8316508 PMKNHZJKQIMOIW-CSKARUKUSA-N 355.459 4.461 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nccs2)cc1)c1ccccc1 8324038 REIZQOMIIDTEHO-GOSISDBHSA-N 365.458 4.016 0 40 FIAB Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCC(=O)O)c1 8367945 KEQBENQGLZJCLJ-DJKKODMXSA-N 362.223 4.280 0 40 FIAB CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(F)cc3)nc12 8462958 IFKJVJZEQLROJF-UHFFFAOYSA-N 350.441 4.437 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N(CC)CC 8480812 SSCCFBPJRDBIIL-GOSISDBHSA-N 372.440 4.104 0 40 FIAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCC2CCCC2)cc1 8494386 QVXCOTGYFWRYOZ-HNNXBMFYSA-N 359.466 4.366 0 40 FIAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccc(Cl)cc1Cl 8533917 VUPYPMFGTXCJSJ-LLVKDONJSA-N 357.306 4.192 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2occc2COc2ccccc2)cc1 8728914 GKWVDIAWFBIKPO-UHFFFAOYSA-N 350.374 4.069 0 40 FIAB Cc1sc2ncnc(N[C@@H](c3cccc(F)c3)c3nccn3C)c2c1C 9335793 QHENZELKFKQTLT-INIZCTEOSA-N 367.453 4.382 0 40 FIAB COc1cccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2F)c1 10227653 COMCFGREGQVWDR-GOSISDBHSA-N 362.832 4.263 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544913 XXSNFYKACTVGFC-CQSZACIVSA-N 362.458 4.192 0 40 FIAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cnn(C)c3)no2)cc1 12186585 MVCAXIDUXPTHOT-HXUWFJFHSA-N 366.465 4.201 0 40 FIAB Cc1noc(C)c1C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12873727 MGQPXKHRZMVHRK-ZFAMOUDISA-N 358.441 4.319 0 40 FIAB COc1cc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc(OC)c1OC 12895083 HLAFMMPXZUAISS-UHFFFAOYSA-N 354.406 4.063 0 40 FIAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1ccc(Cl)cc1 13080386 UQZQCUVQMFBFNH-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(F)cc1 13551952 XBIZKORCQLRGDL-UHFFFAOYSA-N 363.801 4.162 0 40 FIAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(-c3ccccc3)cc2)C1 13674520 SLXIHUDESNWVTR-OALUTQOASA-N 350.506 4.451 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1C 13709280 RVGPIPJRHFEVCG-OAHLLOKOSA-N 363.413 4.341 0 40 FIAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14184638 PWTVVIRYCWHNDG-LJQANCHMSA-N 362.429 4.307 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCSCc1cccs1 15583820 VIFQOQGPSIKZGH-UHFFFAOYSA-N 374.535 4.045 0 40 FIAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 15646844 DAVLRHPMCYKSFE-KRWDZBQOSA-N 368.458 4.291 0 40 FIAB COc1ccc(/N=c2\sc(C)c(-c3ccc(C)cc3)n2CCO)cc1 16949846 IXWHKKSJCSCEHB-MRCUWXFGSA-N 354.475 4.067 0 40 FIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccccc1F)C3 19890889 WBXPGPDTMMDISL-UHFFFAOYSA-N 367.420 4.252 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1Cl 20481324 CPZKQDCPWRDZOV-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)Cc2ccc(OC)c(OC)c2)cc1 22509022 YGKJQQKFABLXSC-IBGZPJMESA-N 371.477 4.159 0 40 FIAB CCc1nc(C)c2c(C)c(C(=O)N[C@@H](C)c3ccccc3OC)sc2n1 22609215 AGFURRYKCPKFGN-LBPRGKRZSA-N 369.490 4.370 0 40 FIAB CC(C)NC(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 24548695 TXXNVQSDCQRYMR-UHFFFAOYSA-N 365.355 4.488 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc2c(cc1Cl)OCO2 25043947 ZWGSOGNKAWDUNI-UHFFFAOYSA-N 357.715 4.269 0 40 FIAB Cc1cc([C@@H](C)NC(=O)NC2CCN(Cc3ccccc3)CC2)c(C)s1 31662754 ZFHMZAWRTZKBDT-MRXNPFEDSA-N 371.550 4.390 0 40 FIAB Cn1nc(C(C)(C)C)c2c1-c1ccc(NC(=O)c3cccs3)cc1C2=O 33808210 RRMIKUCCYOVWHM-UHFFFAOYSA-N 365.458 4.243 0 40 FIAB CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](NC(=O)OC)C[C@H]1CC 34270159 SEYVRRKNFKPZAE-YPMHNXCESA-N 374.359 4.248 0 40 FIAB in-vitro COCCOc1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 40096051 HCJWCPAOJDYMNP-UHFFFAOYSA-N 368.355 4.052 0 40 FIAB CC(=O)NCc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 40117451 LKRMRNHUYXFMBD-NRFANRHFSA-N 368.452 4.123 0 40 FIAB COc1cc([C@@H](C)NC(=O)Cc2cccs2)ccc1OC1CCCC1 40121435 VJQVXCFUARPASL-CQSZACIVSA-N 359.491 4.498 0 40 FIAB C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)[nH]1 49581011 ZXDWMKBGXXQLFV-NEPJUHHUSA-N 361.367 4.354 0 40 FIAB CC(C)c1noc(CNc2ccc(F)c(NC(=O)Cc3ccccc3)c2)n1 55874694 YYAOORHNOLZOQZ-UHFFFAOYSA-N 368.412 4.125 0 40 FIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccc(Cl)cc1)CO3 61997702 KSFADTVTUIVXSD-UHFFFAOYSA-N 355.821 4.415 0 40 FIAB biogenic Cc1cccc(C)c1NCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 70946205 XKVKXYRSSWJJCA-KRWDZBQOSA-N 363.417 4.279 0 40 FIAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc3c(c2)OCO3)c1 71761442 QSRPNKSTRQMHQP-UHFFFAOYSA-N 360.435 4.022 0 40 FIAB CC1CCN(C[C@H]2CCCN(C(=O)[C@H]3CCCc4ccccc43)C2)CC1 71847911 HBIVBXZRGKDDIS-KNQAVFIVSA-N 354.538 4.077 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C=O)cn1)C1CCCC1 72215594 WBNYGDNFZHQTNO-SFHVURJKSA-N 373.497 4.449 0 40 FIAB COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nc2ccccc12 72329580 RVMZRTXUJJFFKN-UHFFFAOYSA-N 360.335 4.192 0 40 FIAB CCCCOc1ccccc1-c1cc(C(=O)NCc2cccc(C)c2)[nH]n1 72331608 DXGDGDOACJNQPR-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4c[nH]nc4C)C3)n2)c1 72349743 FNNIWVVEYTVOHE-SFHVURJKSA-N 360.461 4.108 0 40 FIAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2Cc2cccnc2)n1 72354668 YYILGALBTFFQKU-GOSISDBHSA-N 365.868 4.111 0 40 FIAB Cc1cccc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)n1 72376235 LYYIDLHWLJGYPX-FQEVSTJZSA-N 359.477 4.303 0 40 FIAB C[C@](O)(CNC(=O)NCc1cccs1)c1ccc(-c2ccccc2)cc1 75155403 QVYSHSFAWJPTHO-NRFANRHFSA-N 366.486 4.122 0 40 FIAB CCc1noc(C)c1C(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1 76176759 SXXQXKRAVCQAJV-UHFFFAOYSA-N 354.450 4.065 0 40 FIAB c1ccc(CCc2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 80346462 OBWRCNHVVDYOJB-UHFFFAOYSA-N 364.518 4.439 0 40 FIAB CS[C@@H]1CCC[C@H](NC(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)C1 83854312 MZOQUGZPPZSUKI-AZUAARDMSA-N 369.534 4.219 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 84025364 YMPCRJWOKRSZMV-FQEVSTJZSA-N 365.433 4.176 0 40 FIAB COc1ccc(CCNC(=O)c2cccc3c2ccn3C(C)C)cc1OC 85878684 ZSGBJNXWZIXARQ-UHFFFAOYSA-N 366.461 4.212 0 40 FIAB biogenic O=C(C[C@@H]1CCOc2ccccc21)Nc1cccc(CCN2CCCC2)c1 94122672 QUMGIKKLCXBLGW-IBGZPJMESA-N 364.489 4.220 0 40 FIAB c1cc(-c2nc(CNc3cnn(CCN4CCCCC4)c3)cs2)cs1 95462161 DFLGDWHGLKNHOD-UHFFFAOYSA-N 373.551 4.166 0 40 FIAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 96052699 IOSAZBZMQGNOHX-GOSISDBHSA-N 368.546 4.248 0 40 FIAB CC(C)NC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154368 WHPUPDMQSVTDOE-UHFFFAOYSA-N 353.403 4.350 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2Cl)[C@H](C)CO1 107054184 GLBBLPNUAROKSF-GUXCAODWSA-N 373.880 4.404 0 40 FIAB Nc1nnc(-c2ccc(OCc3ccc(F)cc3Cl)c(Cl)c2)o1 216816090 UMRASBYKBCCWOX-UHFFFAOYSA-N 354.168 4.344 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 222868292 ZJRVZZOWPCXFAQ-MOPGFXCFSA-N 354.523 4.381 0 40 FIAB CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(SC)cc1 224976481 VSYBSTDLEGWPCQ-UHFFFAOYSA-N 351.493 4.022 0 40 FIAB CCCc1ccc(OCCNC(=O)CCc2ccc(OC)c(C)c2)cc1 225194968 DTYRYDRSBQGLMD-UHFFFAOYSA-N 355.478 4.084 0 40 FIAB Cc1cccc(CCCNC(=S)Nc2cccc(N3CCCC3=O)c2)c1 225393856 AFXIRFLOIPTIRC-UHFFFAOYSA-N 367.518 4.041 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 225799002 ACPHXIRPBSQXKX-MSOLQXFVSA-N 366.505 4.418 0 40 FIAB CCOc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@H](CC)N21 260784129 UYDQDJDBWUKODL-ZOCIIQOWSA-N 353.491 4.460 0 40 FIAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccnc1Cl 408621992 OQCNRWJRQCBBNL-UHFFFAOYSA-N 363.808 4.030 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 408706771 DLIVLZOKIAMGKW-VIQWUECVSA-N 370.537 4.459 0 40 FIAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2-n2cnnc2)cc1 409379019 UEWWFMSUBAUOKZ-FXBPSFAMSA-N 353.838 4.005 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](Oc2ccncc2Cl)C1 575607634 VKLPUZUEKIZVCP-ZDUSSCGKSA-N 370.758 4.047 0 40 FIAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccc(OC(F)(F)F)cc1 575610913 QXMCGOCROKEJFI-UHFFFAOYSA-N 351.280 4.368 0 40 FIAB Cc1cc(OCC2(O)CCN(C3CCCCC3)CC2)cc(C)c1Cl 585281187 GCKCSYXZDTWIQC-UHFFFAOYSA-N 351.918 4.495 0 40 FIAB Cc1ccccc1[C@H](C)N(C)S(=O)(=O)c1ccccc1Br 616020701 ZHDVSOMZYLDGGE-ZDUSSCGKSA-N 368.296 4.139 0 40 FIAB CCC[C@H](N[C@@H](CO)c1ccnn1C)c1ccc(Oc2ccccc2)cc1 624017686 COTOKFKFXFBSMO-SFTDATJTSA-N 365.477 4.377 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC[C@H]4C[C@@H]43)nn2-c2ccccc2)cc1 672121197 BDXBGXSAFQNOIW-UWJYYQICSA-N 373.456 4.172 0 40 FIAB O=C1CCCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@H]43)ccc2N1 672163496 IPSDMIRDIMHPHG-TUNNFDKTSA-N 374.484 4.370 0 40 FIAB Cc1ccc(CN2CCC(Nc3ccccc3)(C(=O)NC(C)C)CC2)s1 2055756541 UNGHAASAIASHGY-UHFFFAOYSA-N 371.550 4.028 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1 676558 YTHXXVJIUJEHRK-UHFFFAOYSA-N 372.881 4.349 0 40 FIAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N(C)C)CCCCC2 722350 ZGBWDIMVAVINAR-UHFFFAOYSA-N 356.491 4.280 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)N2CCc3ccccc3C2)o1 800738 WNLZHVLETKNLBW-UHFFFAOYSA-N 363.413 4.066 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(Cl)c2)NC(=S)N1 862551 VHENYYIJTIIMBC-KRWDZBQOSA-N 371.893 4.080 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)OC(C)C)n2-c2ccccc2)cc1 868881 ROWNNXDDZJIISI-UHFFFAOYSA-N 367.474 4.286 0 40 FIAB O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 939250 JUYPNMDNNOQYCK-UHFFFAOYSA-N 373.667 4.193 0 40 FIAB Cn1cccc1-c1nnc(SCc2ccc(Br)cc2)o1 1387106 WLBDRAVXQNFDII-UHFFFAOYSA-N 350.241 4.130 0 40 FIAB CCCOc1cccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)c1 2109765 HJXPMFKSPYFNQR-OTOIZHKDSA-N 362.473 4.113 0 40 FIAB biogenic Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccccc3)s2)c1 2353406 ZJYRDLLIVFXLAG-UHFFFAOYSA-N 354.435 4.378 0 40 FIAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c1 2716077 IHPAUPJNRFJNJO-UHFFFAOYSA-N 358.804 4.237 0 40 FIAB CCN(CC)c1ccc(C(=O)OCC(=O)c2c(C)cc(C)cc2C)cc1 3329960 LGCRTARZSBLKHM-UHFFFAOYSA-N 353.462 4.498 0 40 FIAB CCOc1ccc2oc(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)c(C)c2c1 3520402 IBAUCWJGKZYMNE-ZIAGYGMSSA-N 373.449 4.086 0 40 FIAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccco3)C[C@@H]21 4039680 PGCHGQULJAVVAW-KKSFZXQISA-N 368.433 4.117 0 40 FIAB biogenic O=C(NCc1ccccc1-n1cccc1)c1ccc(OC(F)(F)F)cc1 4054799 BEUMBXORDQDPDJ-UHFFFAOYSA-N 360.335 4.306 0 40 FIAB CCOC(=O)Cc1c(C)nc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1C 4351824 XBGSTHPTALDDQC-UHFFFAOYSA-N 365.477 4.416 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2C)cc1 4581799 UMILKMGAAPDZAN-CQSZACIVSA-N 365.385 4.128 0 40 FIAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 4616789 QUWCLTQEVDYAPW-CQSZACIVSA-N 354.425 4.115 0 40 FIAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1 4784223 MBJSGWVIACOMET-DEOSSOPVSA-N 371.436 4.002 0 40 FIAB CC1(C)[C@]2(C(=O)Nc3ccc(SC(F)F)cc3)CC[C@@]1(C)C(=O)O2 4807464 IHAZLNLKKPLWCB-DLBZAZTESA-N 355.406 4.062 0 40 FIAB COc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c(OC)c1 5191834 QPSCSUCCLRXWJG-GFCCVEGCSA-N 371.462 4.013 0 40 FIAB Cc1nc(NCCCn2ccnc2)c2c(-c3cccs3)csc2n1 5266938 YWDDXCGOKDFAFH-UHFFFAOYSA-N 355.492 4.427 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1OC 5549325 IXACDZFEQFLOKL-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3ncn[nH]3)cc2)c1 5737340 YAGDETSZSNVFIS-UHFFFAOYSA-N 370.503 4.304 0 40 FIAB CC[C@@H](NC(=O)CSc1nnc(-c2ccccc2)o1)c1ccc(C)cc1 6054540 XRYLUAKVMXFPQB-QGZVFWFLSA-N 367.474 4.405 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)cc1 6178318 BVVUZXAGYQKXRA-CYBMUJFWSA-N 352.463 4.153 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)Cc3c[nH]c4ccccc34)c2cc1C 6384073 WIRMIGVYGGKRPB-UHFFFAOYSA-N 361.397 4.177 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc2c(c1)CCC2 6648327 AYPVZCDYTYOQEH-UHFFFAOYSA-N 372.472 4.413 0 40 FIAB CCOc1cc(C(=S)N2CCC(C)CC2)c(Br)cc1OC 6656347 FVYSSVWMAFICCB-UHFFFAOYSA-N 372.328 4.264 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1N1CCOCC1 6830955 GRACJUXSTSKSKM-UHFFFAOYSA-N 365.260 4.011 0 40 FIAB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6952883 VNRDLACUBIICSX-PZROIBLQSA-N 366.373 4.128 0 40 FIAB CCOCc1cc(C(=O)Nc2cccc(Br)c2)ccc1OC 7069785 UIKBTJVWMREQBD-UHFFFAOYSA-N 364.239 4.247 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc2c(s1)CCC2 7089277 GUXLWXFMASOTLI-UHFFFAOYSA-N 360.822 4.297 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1cc(Cl)ccc1F)O[C@H](C)C2 7116975 RPAHBOBIMFPVJG-LLVKDONJSA-N 363.816 4.131 0 40 FIAB COc1ccc(CCNCc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1 7541082 MJHXDBYSRAUFNN-MRXNPFEDSA-N 351.446 4.341 0 40 FIAB Cc1nnc(SCc2nc(-c3ccc(C(C)C)cc3)no2)n1C1CC1 7618013 JIXHCUVMSUSIKX-UHFFFAOYSA-N 355.467 4.387 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCCO2 7644371 GJGDMZIMDROFBU-UHFFFAOYSA-N 351.324 4.048 0 40 FIAB Cc1ccc(CN(Cc2ccco2)S(=O)(=O)c2cccc(C)c2)cc1 7780503 XRBYFRFJMUTXGZ-UHFFFAOYSA-N 355.459 4.288 0 40 FIAB C[C@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 7966139 YNZFFODOXFQVFY-FZMZJTMJSA-N 350.245 4.422 0 40 FIAB Cc1csc(N(C(=O)C[C@H]2OC(=O)c3ccccc32)c2ccccc2)n1 7986140 DXGSFGKPDJCWTC-QGZVFWFLSA-N 364.426 4.418 0 40 FIAB COc1ccc2nc(N3C(=O)CS[C@@H]3c3ccc(F)cc3)sc2c1 8715612 CNHKHVKXXMURDO-MRXNPFEDSA-N 360.435 4.223 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CC(C)C)C2=O)cc1Br 9236574 DNUPCUUEBITCKO-NTUHNPAUSA-N 370.268 4.150 0 40 FIAB CCOc1ccc(OCCCC(=O)N[C@@H](C)c2ccccc2OC)cc1 9376777 UFTBSQCBUJCGTG-INIZCTEOSA-N 357.450 4.130 0 40 FIAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1 10511411 ADKNKMXISSSKQP-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)o1 11703802 VTMHWDAWUXQBHW-GFCCVEGCSA-N 371.487 4.258 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ccccc1C(=O)O 12517322 IVRNNQUNGOMDMR-UHFFFAOYSA-N 370.474 4.024 0 40 FIAB Cc1cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)on1 12869910 YJMRGBGDSZFASN-UHFFFAOYSA-N 351.387 4.218 0 40 FIAB CSc1cccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1 12907276 JXJPLHGEPXCPPV-UHFFFAOYSA-N 365.458 4.032 0 40 FIAB Cc1ccc(C(=O)[C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)s1 13996999 FJUWDCZKRRCCPC-LBPRGKRZSA-N 371.849 4.409 0 40 FIAB Cc1cc(C)c(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)c1 14128815 SMPGIMYNTFTFHZ-UHFFFAOYSA-N 365.502 4.306 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cccc(N2CCCC2=O)c1 14136827 QQEHTMOMGZQLQB-UHFFFAOYSA-N 361.401 4.029 0 40 FIAB CC(C)n1ncc2cc(C(=O)Nc3ccc(-c4nccs4)cc3)cnc21 14184047 HRVMQWUKEZLTBY-UHFFFAOYSA-N 363.446 4.388 0 40 FIAB O=C(COc1ccc(F)cc1Cl)Nc1nc2c(s1)CCCCC2 14554410 DJWGQZUEEAJSNL-UHFFFAOYSA-N 354.834 4.222 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(=O)n(Cc2ccccc2F)c1 15883180 HCOQORSECLXSTO-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 15992608 GNGMEMCGFMDNTR-QGZVFWFLSA-N 370.880 4.448 0 40 FIAB Cc1cc(C)cc(OCn2ccc(C(=O)Nc3cc(Cl)ccc3O)n2)c1 17076158 DZCKYSKOYHUMHV-UHFFFAOYSA-N 371.824 4.148 0 40 FIAB Cc1cc(C)cc(OCc2nnc(SCc3cccc(C(=O)O)c3)o2)c1 19928317 PBRGYSLXJCWUQC-UHFFFAOYSA-N 370.430 4.256 0 40 FIAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)Sc2ccc(Cl)cc2)CC1 20459937 DFLYRPQPRBIUHH-MRXNPFEDSA-N 369.914 4.012 0 40 FIAB O=C(NCc1cccs1)c1cc2ccccc2cc1NC(=O)C1CC1 21328977 UYKSUHREWVFZOU-UHFFFAOYSA-N 350.443 4.180 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2noc(-c3ccccc3)n2)cc(C)c1Cl 21800356 HLRQEKHCWUXXNS-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCO2 21818125 KKNIILLTSUNGOY-LSDHHAIUSA-N 354.450 4.410 0 40 FIAB CC1(C)CC(N2CCN(Cc3ccccc3)CC2)=CC(=[N+]2CCCCC2)C1 23230324 YUQBQMYRWOFRLV-UHFFFAOYSA-N 366.573 4.146 0 40 FIAB CC[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(F)cc1 23819710 LBMXOLJBYVRYQE-OAHLLOKOSA-N 356.426 4.120 0 40 FIAB O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N1CCCCC1 24261268 KZQQPIZSXLEDPG-UHFFFAOYSA-N 351.475 4.253 0 40 FIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccccn2)n1 26873847 UVLSJPARDMVDHZ-CYBMUJFWSA-N 355.438 4.106 0 40 FIAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)n(Cc2ccccc2)n1 28243943 ZYAGZVINWPDCNJ-UHFFFAOYSA-N 371.440 4.411 0 40 FIAB COc1ccc([C@@H](CNc2nc3ccccc3o2)N2CCCCC2)cc1 29319911 LDOJUIYKFGCCMD-LJQANCHMSA-N 351.450 4.476 0 40 FIAB CC(=O)c1cccc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 30289220 ZNMWWRUTSAWOBJ-CQSZACIVSA-N 354.475 4.219 0 40 FIAB C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1cccc(Br)c1 30839914 PKJZBMXUNAYZIL-UONOGXRCSA-N 362.267 4.232 0 40 FIAB O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc2c(c1)-c1ccccc1C2 31813447 LLIPGAMWJOTOGE-UHFFFAOYSA-N 369.342 4.321 0 40 FIAB Cc1nc(S)sc1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 32800863 JIMOBAGQXORPNB-UHFFFAOYSA-N 371.487 4.454 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F 32817116 BIOVASVFWILSTF-UHFFFAOYSA-N 361.438 4.103 0 40 FIAB O=C(c1ccc(Cn2cccn2)o1)N(Cc1ccccc1)c1ccccc1 32913083 XGJTWBHMUVXANI-UHFFFAOYSA-N 357.413 4.371 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccsc2)c1 40288430 NVXPKUQABYTOTD-ZDUSSCGKSA-N 355.419 4.075 0 40 FIAB O=C(c1ccc(C2SCCCS2)cc1)N1CCO[C@@H]2CCCC[C@H]21 46494299 KCYZZPZTISEPKQ-IAGOWNOFSA-N 363.548 4.339 0 40 FIAB COCCn1c(S[C@H](C)c2nc(-c3ccccc3)no2)nc(C)c1C 48355461 SUYZTKURGQUJCM-CQSZACIVSA-N 358.467 4.050 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCCCC4)CN(Cc1ccco1)CO2 55393780 DFMUMUMMYJWJSV-UHFFFAOYSA-N 365.429 4.315 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2noc(-c3cccs3)n2)cc1OC 58324616 SMQUNJSSELXRND-AWEZNQCLSA-N 371.462 4.152 0 40 FIAB CC(C)=C[C@H]1[C@@H](C(=O)N[C@@H](c2ccccc2F)c2nccn2C)C1(C)C 58413641 GEYYXHYCGBGAQJ-SZMVWBNQSA-N 355.457 4.003 0 40 FIAB C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc([S@](C)=O)cc1)C1CC1 69351260 ZNLAMMCUVKKHSB-YEBMWUKDSA-N 361.894 4.443 0 40 FIAB COC(=O)c1cc2c(nc(C(F)(F)F)n2C)c(F)c1Nc1ccccc1 71405497 BJTPUGNURRLBFL-UHFFFAOYSA-N 367.302 4.261 0 40 FIAB COc1ccc2ccccc2c1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 72233829 OFLBYJOSQVJXDN-MAUKXSAKSA-N 371.433 4.026 0 40 FIAB FC(F)n1ccnc1CNc1cc(Cl)ccc1OC[C@@H]1CCCO1 72312469 ZLIGNZHEHXJXQM-LBPRGKRZSA-N 357.788 4.102 0 40 FIAB Cc1cc(-c2cc(=O)n(Cc3ccccc3F)nc2-c2cccs2)on1 72337009 MDDMONIXRPCMAD-UHFFFAOYSA-N 367.405 4.123 0 40 FIAB O=C1C[C@H](c2cccc(C(F)(F)F)c2)c2cnn(Cc3ccco3)c2N1 85412039 QFJLEMQMFQAREQ-CQSZACIVSA-N 361.323 4.017 0 40 FIAB CCC1(NC(=O)Nc2cccc(-c3ccccc3OC)c2)CCOCC1 95460949 XDJQAFWTBWBRJS-UHFFFAOYSA-N 354.450 4.443 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1N1CCCC1=O 95476831 CALVPWFNINRALG-UHFFFAOYSA-N 367.836 4.129 0 40 FIAB Cc1cc(COC(=O)C[C@H]2OCCc3ccsc32)c2ccccc2n1 95960386 WDQQLIHTOGISPH-GOSISDBHSA-N 353.443 4.352 0 40 FIAB Cc1ccccc1N(C(=O)c1sc(-c2ncccn2)nc1C)C(C)C 105583018 OSSCQVGQOIGAEX-UHFFFAOYSA-N 352.463 4.272 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2Cl)[C@@H](C)CO1 107054187 GLBBLPNUAROKSF-FTRWYGJKSA-N 373.880 4.404 0 40 FIAB CN(CCNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 218987093 CANOFWAIHVMWHM-UHFFFAOYSA-N 360.457 4.132 0 40 FIAB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 222170350 WCQJVVFITSEHIG-QUMQCBJBSA-N 369.895 4.041 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 222801843 HBKJMNVIFNAMHC-RBUKOAKNSA-N 367.449 4.473 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCN(C)c1ccccc1 223036128 XJFAGBUQCCKZJL-FQEVSTJZSA-N 374.912 4.449 0 40 FIAB O=C(Nc1cccc(Br)c1)c1cc(-c2ccc(F)cc2)on1 224066404 GJYHSNJFAAQHHM-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1C 224979699 HAVYDKUAQBDEIU-UHFFFAOYSA-N 374.506 4.103 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)s1 225184405 DBTIMCLGZMHLBC-NSHDSACASA-N 357.888 4.100 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(F)c1)CC(C)(C)O2 225682358 XTPLBQFCBUUJEJ-INIZCTEOSA-N 360.454 4.423 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2C[C@H](C)C[C@@H](C)C2)c(C)cc1N 226331667 VWJUMBVLMGVQAK-HUUCEWRRSA-N 367.493 4.320 0 40 FIAB Cc1c[nH]c(-c2cc([C@@H]3CCCN(Cc4ccccc4F)C3)nc(C)n2)n1 257238445 HLABVOMIDUOOHK-QGZVFWFLSA-N 365.456 4.002 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1Cl 408585842 JXKMBTOJKPQWLW-UHFFFAOYSA-N 353.871 4.410 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC[C@H](Oc2ccncc2Cl)C1 575614138 XAIRTPHOCFIDEK-ZDUSSCGKSA-N 373.865 4.028 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)s1 624546312 UCCITNFKCIQRHZ-AWEZNQCLSA-N 371.437 4.265 0 40 FIAB O=C(NCc1cc(Cl)sc1Cl)N1CCC(c2ccon2)CC1 1548452879 RHSWLNKPTWISFI-UHFFFAOYSA-N 360.266 4.132 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C)c1CC 671626 AJGDHMZQFAVQNI-UHFFFAOYSA-N 352.843 4.096 0 40 FIAB COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(C)=O)s1 858476 RCKMEVFXBIWMSL-UHFFFAOYSA-N 373.459 4.091 0 40 FIAB aggregator O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CNc1cccc(Cl)c1 990329 GOWVIGPKJUXDFN-UHFFFAOYSA-N 355.608 4.312 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)c(C)c1 1924270 FXWBBASUDTWPRF-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 3231720 KNMPHDIURGAOLC-UHFFFAOYSA-N 373.623 4.025 0 40 FIAB CN(CCOc1ccccc1)CC(=O)Nc1ccccc1-c1ccccc1 3441179 DXFGADPURCHHPN-UHFFFAOYSA-N 360.457 4.303 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc4c(cc23)CCC4)c1 3525006 PWFDGTODQUGYHA-UHFFFAOYSA-N 363.413 4.198 0 40 FIAB CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)CCCc2ccccc2)cc1 3623820 AYDTVZATYCOWPA-HXUWFJFHSA-N 369.461 4.129 0 40 FIAB c1ccc2c(c1)OC1(CCNCC1)N1N=C(c3cccc4ccccc34)C[C@H]21 4812513 HZOPGDLJKXQZMH-JOCHJYFZSA-N 369.468 4.463 0 40 FIAB O=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 4854451 WKSOOTZDGKJXIQ-FQEVSTJZSA-N 367.399 4.081 0 40 FIAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)N1CCc2ccccc21 5263576 NAVKDIXJSFMCMX-AWEZNQCLSA-N 367.449 4.081 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1OC 5549334 OCULBQRMLVGCPI-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)Nc1ccc(F)cc1 6340559 JNQNRXMSNPEOPW-VAWYXSNFSA-N 353.372 4.419 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1C 6393448 BVRISWIPIWKXSF-UHFFFAOYSA-N 354.328 4.079 0 40 FIAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)CC1 6515752 PKALCEBQLZGDTR-UHFFFAOYSA-N 353.491 4.050 0 40 FIAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 6542176 KZUCVPDKOBHDTC-OAHLLOKOSA-N 361.825 4.024 0 40 FIAB CC(C)[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 6939737 ZFYWQROJOKSYDZ-APWZRJJASA-N 359.853 4.036 0 40 FIAB CCCSc1nsc(NC(=O)CCCc2c[nH]c3ccccc23)n1 6941651 NZXIZQDDDHNCHF-UHFFFAOYSA-N 360.508 4.483 0 40 FIAB Clc1ccccc1-c1noc(CSc2nncn2-c2ccccc2)n1 6974867 LGAYDJJXLKNUAI-UHFFFAOYSA-N 369.837 4.263 0 40 FIAB COc1cc(C(=O)Nc2cccc(Cl)c2)cc(OC)c1Br 7071652 UNQYZJGKPKMCJJ-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB COc1ccc(-c2nnc(SCCOc3cc(C)cc(C)c3)[nH]2)cc1 7214669 WXZXHHPXMVMCBQ-UHFFFAOYSA-N 355.463 4.268 0 40 FIAB COc1ccccc1-c1nnc(S[C@@H](C)c2ccccc2Cl)n1N 8157342 IKPSLIISIHRJSG-NSHDSACASA-N 360.870 4.174 0 40 FIAB O=c1ccc2ccc(OCc3nc(-c4ccc(Cl)cc4)no3)cc2o1 8919717 DVYXIGYVGXABGA-UHFFFAOYSA-N 354.749 4.075 0 40 FIAB C[C@@H](c1ccccc1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 10035566 YUTFJUOPHYREMP-HNNXBMFYSA-N 363.436 4.333 0 40 FIAB CCC(CC)C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11914065 BWPPXJDYFVRKKI-UHFFFAOYSA-N 354.273 4.342 0 40 FIAB Cc1cc(C(F)(F)F)c2c(NCC3=Cc4ccccc4OC3)n[nH]c2n1 12115921 DZIDWOLCDVUNKD-UHFFFAOYSA-N 360.339 4.173 0 40 FIAB CN(C)[C@@H](CNc1ncnc2ccsc12)c1c(F)cccc1Cl 12780830 QHCVLWIFGFQULV-ZDUSSCGKSA-N 350.850 4.199 0 40 FIAB CCc1cccc(N2C[C@H](C(=O)Nc3c(C)cccc3CC)CC2=O)c1 12823627 LVNPYNTUEROSQH-GOSISDBHSA-N 350.462 4.111 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1Cl 13011170 MNOFCYYAOLHEOI-INIZCTEOSA-N 355.240 4.165 0 40 FIAB Cc1ccccc1C(=O)N1CCC(C(=O)OCc2ccccc2Cl)CC1 13162730 IDXRADLPOLVJKF-UHFFFAOYSA-N 371.864 4.244 0 40 FIAB O=C(COc1ccccc1C1SCCS1)N[C@H]1CCc2ccccc21 14140453 KECZAUZKOPGLGK-KRWDZBQOSA-N 371.527 4.348 0 40 FIAB Cc1cc2ncc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)c(C)n2n1 14168905 GLZOWZUTYALCDK-JTQLQIEISA-N 363.248 4.144 0 40 FIAB CC[C@H](NC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C)cc1 14241779 ZSJKIRVAJQJDDQ-PKOBYXMFSA-N 365.395 4.403 0 40 FIAB Cc1c(C(=O)NCCCCOc2ccc(Cl)cc2)[nH]c2c1C(=O)CCC2 14249186 JDOUJMGQRNGKQF-UHFFFAOYSA-N 374.868 4.085 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)cc1Cl 15882980 QFYGDYQZGLEOHM-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(C)c(C)c3)S2)cc1 17015653 IJFWYTFLPWQMGL-QGZVFWFLSA-N 367.474 4.051 0 40 FIAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 18516430 SKTFFXICKHBSRX-OAHLLOKOSA-N 361.511 4.007 0 40 FIAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1 20121057 KCPMRCVJQHGUNU-QFIPXVFZSA-N 373.504 4.244 0 40 FIAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1F 21901035 UFXKMIIJMAIZFE-UHFFFAOYSA-N 370.302 4.064 0 40 FIAB O=C(O)c1cc(/C=C/c2ccncc2)nc2ccc(Br)cc12 22142371 KKNHYSSJHQAITJ-HNQUOIGGSA-N 355.191 4.261 0 40 FIAB CSc1ncccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 22587951 LHCFDCTWZCAQOB-UHFFFAOYSA-N 360.442 4.371 0 40 FIAB O=C(CSCc1ccccc1Br)Nc1cccc(F)c1 22612424 PMISHAZWCRNGLW-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCC(C)CC3)c(O)n2n1 22853303 XFDDOUBOHDYDAY-MRXNPFEDSA-N 374.485 4.019 0 40 FIAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(Cl)c2cccnc12 25181106 SKLXOFMKPXUROK-UHFFFAOYSA-N 362.820 4.385 0 40 FIAB Cc1ccn(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1 28219725 UHGPMTMVJJUGQX-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB Cc1ccc2nc(NC(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)sc2c1 28235359 PWCXKIIRUZDSPK-JTQLQIEISA-N 368.384 4.328 0 40 FIAB COc1cc(C2SCCS2)ccc1OC(=O)[C@H]1Cc2ccccc2O1 29763509 SOQYRSVZEMLDBD-QGZVFWFLSA-N 374.483 4.083 0 40 FIAB C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc2c(c1)NC(=O)CO2 32776481 BHPAAJUMWXHYPW-PXRHCINRSA-N 371.502 4.291 0 40 FIAB COc1ccc(NC(=O)Cc2ccccc2C)cc1OCc1cccnc1 32832234 CHMNBJIEPDMLJL-UHFFFAOYSA-N 362.429 4.159 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)cc1OC 38755707 XTQZFXRCJCABCW-JTQLQIEISA-N 353.390 4.101 0 40 FIAB Cc1cc(Br)c(S(=O)(=O)NC2CCCCCC2)cc1C 41095386 SBRLMGDFSPUATF-UHFFFAOYSA-N 360.317 4.067 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)c2ccccc12 41096794 CAAYMHPXOGBXFQ-UHFFFAOYSA-N 356.447 4.215 0 40 FIAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cccnc1N1CCCC1 48080757 KOODDMPYLKAHDL-LJQANCHMSA-N 350.466 4.359 0 40 FIAB O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 49568613 AUBASQUVLJYPAO-PMOQBDJRSA-N 374.528 4.151 0 40 FIAB Cc1cccn2cc(CC(=O)N(C)Cc3cccc(Cl)c3Cl)nc12 58223910 YCUCPVRYPZPEHJ-UHFFFAOYSA-N 362.260 4.151 0 40 FIAB COc1nc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc2ccccc12 65543104 ZKHFRDBDDMNXMT-NRFANRHFSA-N 369.424 4.158 0 40 FIAB CN1CCC(N[C@H]2C[C@@H](Cc3cc(-c4ccc(F)cc4)on3)C2(C)C)CC1 67889830 HTMARMHTKJFYOP-IERDGZPVSA-N 371.500 4.122 0 40 FIAB biogenic,in-vitro CCCn1nc(C)c(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)c1C 79474717 NRYGAISJPWNWIX-UHFFFAOYSA-N 355.482 4.195 0 40 FIAB COc1ccc(C[C@H](C)N(C)C(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 84274902 JJIOTQKATJSMIV-ZDUSSCGKSA-N 369.490 4.158 0 40 FIAB O=C(NCc1ccc(OC2CCCC2)nc1)c1ccc(OCC2CC2)cc1 84388092 KDOHEGACHIJYQD-UHFFFAOYSA-N 366.461 4.122 0 40 FIAB O=S(=O)(Nc1ccc2sncc2c1)c1cccc(C(F)(F)F)c1 97165700 HAGMFYRCDNQTNY-UHFFFAOYSA-N 358.366 4.116 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccccc2F)c1 218967910 XBBPDFXLJPHHPD-UHFFFAOYSA-N 361.482 4.179 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cc2ccccc2o1 219951037 UMQZIUOBIZFJPJ-UHFFFAOYSA-N 367.792 4.408 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222898188 JBZANHJFJUXWDT-RTBURBONSA-N 354.523 4.381 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCSC1CCCC1 224169991 HIPYPHQAKSQENI-UHFFFAOYSA-N 368.351 4.089 0 40 FIAB CCOc1cccc(CNC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)c1 225527359 BTBQICKNMKNELS-QFIPXVFZSA-N 367.489 4.438 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1C 225708324 UFVTVMMUIUVURN-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@@H](C)C3)c(C)cc2N)cc1 226331333 HRNAIMGUFRYHIM-GASCZTMLSA-N 367.493 4.320 0 40 FIAB CCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226352709 UAUWYBKNWAYSTG-UHFFFAOYSA-N 352.184 4.146 0 40 FIAB COC(=O)c1cc(C)c(OC(=O)c2ccccc2Br)c(C)c1 256051535 JNOCDGQOGJDZSX-UHFFFAOYSA-N 363.207 4.072 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2CCC[C@H](C)C2)c1 260747045 ZSRULTRFQGDXPX-OALUTQOASA-N 360.542 4.124 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1C 408644983 UCKZDHZOXOVNON-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408668934 RKYSLNWTJJTBAC-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB Cn1cc([C@@H]2CCCCN2C(=O)c2ccc(Oc3ccccc3)o2)cn1 548015922 ZWDWYXLDLZBCAS-KRWDZBQOSA-N 351.406 4.173 0 40 FIAB O=C(c1cc(Cl)sc1Cl)N1CC[C@H](n2cnc3ccccc32)C1 575617915 SMNYUANDAFPNFT-JTQLQIEISA-N 366.273 4.492 0 40 FIAB CN(C)[C@H](CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2o1 575622522 ZKKWGAQMJUDNQM-QGZVFWFLSA-N 371.868 4.188 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(OCc2cccc(F)c2)c1 614978501 OORLDKYTGHKGRW-UHFFFAOYSA-N 351.377 4.422 0 40 FIAB CC(=O)N1CCCN(Cc2ccc3c(c2)COC(C)(C)O3)c2ccccc21 685475651 ZAIPOSCNXCDFMR-UHFFFAOYSA-N 366.461 4.095 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)c(Cl)c1Cl 983179 MVPTXPYPLDJLNY-UHFFFAOYSA-N 368.188 4.081 0 40 FIAB Cc1ccc(-c2csc3ncn(Cc4c(C)noc4C)c(=O)c23)cc1C 1290742 OPNAYESJWIWCAK-UHFFFAOYSA-N 365.458 4.395 0 40 FIAB COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1293638 LKRUAISOKYTTNW-NSHDSACASA-N 372.515 4.303 0 40 FIAB COc1ccccc1[C@@H](OC(=O)c1cccs1)C(=O)NC1CCCCC1 1381169 YUJQOZVYLOCVBG-GOSISDBHSA-N 373.474 4.104 0 40 FIAB Cn1nc(C(F)(F)F)c(COC(=O)Nc2ccc(Cl)cc2)c1Cl 1389383 RIRRAWXJBASJDY-UHFFFAOYSA-N 368.142 4.494 0 40 FIAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCO3)s1 2358466 NTHRTTPDQVSYIK-UHFFFAOYSA-N 374.809 4.231 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C)cc1 2443061 BAMHAAGTZXBSNJ-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB COc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(Cl)c1OC 3333896 YPDZRJVMVXHWCV-UHFFFAOYSA-N 373.880 4.452 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)o1 3538423 UTTQOCPYEWNLQW-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cc(Cl)ccc2Cl)C1 4241656 YYYFXBNGYFROJG-NWDGAFQWSA-N 360.237 4.029 0 40 FIAB CC[C@H](OC[C@H](O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 4264067 GUYVJQTTYAHQEU-RPWUZVMVSA-N 367.533 4.470 0 40 FIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(OCCc2ccccc2)cc1 4598955 FHSBIDGOYLEMNL-WOJBJXKFSA-N 367.445 4.138 0 40 FIAB CCOc1ccc(-c2cnc(NCc3cccc(F)c3)n2CCOC)cc1 4679227 KTECPDOBEJWKEA-UHFFFAOYSA-N 369.440 4.346 0 40 FIAB CC(C)CC(=O)n1nc(NCc2ccccc2)nc1NCc1ccccc1 4723808 YTZOXHHQTYPRDS-UHFFFAOYSA-N 363.465 4.189 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)Oc1ccccc1 5136238 UCCUBNFWIZYKRL-UHFFFAOYSA-N 362.385 4.484 0 40 FIAB COc1ccc2c(c1)[C@@]1(C)CCCc3c(O)c(-c4ccccc4)c(=O)n-2c31 5433534 VAONZJWVEWYLQU-HSZRJFAPSA-N 359.425 4.174 0 40 FIAB C[C@H]1CCc2c(sc3ncn(CC(=O)c4ccc(Cl)cc4)c(=O)c23)C1 5483105 ICRHXEOALNSJIQ-NSHDSACASA-N 372.877 4.119 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)OC2c3ccccc3-c3ccccc32)cc1 5586024 XYKDFCKSRQTHRT-UHFFFAOYSA-N 364.422 4.017 0 40 FIAB CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2[C@@H](C)CC 5676982 ZOQBVMFKJDLGCC-ZBEGNZNMSA-N 361.467 4.383 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2cccc3ccccc23)c1 6034776 KAXGFQCHDPDYNP-UHFFFAOYSA-N 364.470 4.459 0 40 FIAB Cc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)c1 6087313 MQOAPLQRSAWVSV-UHFFFAOYSA-N 361.228 4.203 0 40 FIAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1ccccc1F 6111789 JQMAOCFBIQBSFU-UHFFFAOYSA-N 364.401 4.147 0 40 FIAB Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 6151995 HYCDSPCEIMDVDW-OAQYLSRUSA-N 358.441 4.495 0 40 FIAB COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)C(C)C 6357773 XKQCQNXXCKDZCC-UHFFFAOYSA-N 370.449 4.329 0 40 FIAB CN(C)C(=O)[C@H](OC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 6842768 DMVDZQZCCWUNFD-GOSISDBHSA-N 357.475 4.003 0 40 FIAB O=C(Nc1nc(-c2cccs2)cs1)c1ccc(N2CCCC2=O)cc1 6968507 CDPIGSIBJFHQFJ-UHFFFAOYSA-N 369.471 4.251 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 7072433 XXTAQWMPUMUXHV-WBVHZDCISA-N 366.461 4.200 0 40 FIAB Cc1cccc(C)c1OC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 7657926 IVJCKEQJMCJHNN-VAWYXSNFSA-N 363.457 4.161 0 40 FIAB O=C(N1CCN(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCC1 7780084 BLVFUKMVRJTVRT-UHFFFAOYSA-N 354.881 4.111 0 40 FIAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2ccccc2)nc1 8146763 YODIISKFXXWBJM-UHFFFAOYSA-N 370.499 4.448 0 40 FIAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1C 8434162 ZBRMPJJEHATJFC-WOJBJXKFSA-N 374.440 4.011 0 40 FIAB CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1 8845754 IRFDXWXDLZKXTQ-OAQYLSRUSA-N 361.445 4.471 0 40 FIAB CCOCc1c(C(=O)Nc2ccccc2C(=O)OC)oc2ccccc12 8855868 IFNYEGDSZROKOT-UHFFFAOYSA-N 353.374 4.008 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1C 8915671 JBMCMDPWWBKORX-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB CC1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2Cl)CC1 9064323 YJPJJDARQMWKSN-UHFFFAOYSA-N 353.919 4.045 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)Cc3ccc(F)cc3)ccc21 9136890 HUHLANQMZQCYKY-UHFFFAOYSA-N 354.425 4.086 0 40 FIAB CCCCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)s1 9140684 FTHHCEKIEQMHJP-LBPRGKRZSA-N 350.513 4.178 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2nc3ccccc3s2)c(F)c1F 9141215 PHDPMANBVZNDFF-UHFFFAOYSA-N 356.300 4.114 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1ccc(O)c2ccccc12)c1ccc(C)cc1 10321139 WPLZGTQDCALDMT-FQEVSTJZSA-N 362.429 4.060 0 40 FIAB Cc1cc(C(=O)CCC(=O)NCc2coc(-c3cccs3)n2)c(C)s1 10882914 MNLJHLMOKGUBOV-UHFFFAOYSA-N 374.487 4.361 0 40 FIAB CSc1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 12039853 IKZVPRTZQNYRJL-UHFFFAOYSA-N 365.458 4.032 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NC2CC2)cc1 12419658 OWANWYHDIOCJFQ-UHFFFAOYSA-N 360.460 4.119 0 40 FIAB O[C@@H](CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccccc1 12543062 YXFCSXMGVIFGPO-IBGZPJMESA-N 374.469 4.155 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c1 12613129 YXYPOZAYKHIMJD-UHFFFAOYSA-N 363.413 4.184 0 40 FIAB CC(C)[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccc2c(c1)OCCO2 12794175 XTRQIOGSZGGCMJ-FQEVSTJZSA-N 368.408 4.205 0 40 FIAB COc1cc(SC)ccc1C(=O)Nc1cc2c(cc1Cl)OCO2 14229851 VYWYERILDTZUBL-UHFFFAOYSA-N 351.811 4.052 0 40 FIAB Cc1ccc(CNc2nc(Nc3ccccc3C)c3cnn(C)c3n2)cc1 17041629 LJMMAPKCYZCMAE-UHFFFAOYSA-N 358.449 4.336 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3ccccc3F)c2C1 17072683 MPHOJFDFIMEUPR-CQSZACIVSA-N 350.393 4.241 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1ccccc1OCC(C)C)CC(=O)N2 20154628 WBKDIXSDFVLXAF-OAHLLOKOSA-N 355.434 4.213 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC 20456127 RRUIOAOWLISBCL-STQMWFEESA-N 363.454 4.201 0 40 FIAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCc2sccc2C1 21419856 RTULWPNRLZJOFX-LLVKDONJSA-N 354.397 4.152 0 40 FIAB O=C(OCCOc1ccccc1F)c1csc(NCc2ccccc2)n1 22375178 MIRIOFCUPHKGHZ-UHFFFAOYSA-N 372.421 4.130 0 40 FIAB COc1cccc(NC(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)c1 22767043 QDUUVFCGIHTNSJ-IBGZPJMESA-N 373.522 4.496 0 40 FIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc2ccccc2c(=O)[nH]1 22993523 ZAVXWMQWWIDWOS-UHFFFAOYSA-N 352.393 4.352 0 40 FIAB c1ccc(CSc2nnc(N3CCN(c4ccccc4)CC3)s2)cc1 23140113 GLBPVZVTZIKQKE-UHFFFAOYSA-N 368.531 4.157 0 40 FIAB C[C@H]1CCCCN1CCCNc1nc(-c2ccncc2)nc2ccccc12 24102870 ZOPIEBLDHXABNY-KRWDZBQOSA-N 361.493 4.368 0 40 FIAB Cc1ccccc1OCn1ccc(C(=O)N[C@@H]2CCCc3ccccc32)n1 27972284 MKTGLLVGJAKRCD-LJQANCHMSA-N 361.445 4.035 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2)c1 28224895 ZHCNVFXPQWSJLV-HNNXBMFYSA-N 369.852 4.299 0 40 FIAB CCOCc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 30519290 UHFXYIYTDUCHNP-UHFFFAOYSA-N 374.289 4.008 0 40 FIAB COc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1Cl 32641573 MJZJXXAPROICDH-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 32738054 DLCQDHDKTBQZRZ-UHFFFAOYSA-N 365.458 4.317 0 40 FIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cncc(Br)c1 32818712 WWWYHFKKMOFQGR-UHFFFAOYSA-N 358.195 4.115 0 40 FIAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1 36390669 SUDBWGGEYXBZSD-MRXNPFEDSA-N 364.420 4.220 0 40 FIAB Cc1cc(C)c(C(=O)NC(CO)(c2ccccc2)c2ccccc2)c(C)c1 38337786 VZMNHABUSGFMGZ-UHFFFAOYSA-N 359.469 4.278 0 40 FIAB COc1ccc(OC)c(-c2nc(COc3ccc(C=O)cc3)c(C)o2)c1 39321190 NZNKQJVRJMUKHE-UHFFFAOYSA-N 353.374 4.059 0 40 FIAB COc1cc(OC)c(C2=CCN(Cc3ccc(Cl)nc3)CC2)c(OC)c1 40049399 DKOBFIYCYALRIC-UHFFFAOYSA-N 374.868 4.050 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 40150734 QIQVDIOCJUUKDP-MJGOQNOKSA-N 365.477 4.116 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cc3occc3n2Cc2ccccc2)cc1 40288585 PPDWVBZTDNFIER-UHFFFAOYSA-N 374.396 4.322 0 40 FIAB COc1cc(CN(C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1O 43177091 FMRCDTNROIXQDD-UHFFFAOYSA-N 355.221 4.372 0 40 FIAB COc1ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1 44949151 BKCVMAGDUQRLSV-IERDGZPVSA-N 371.477 4.375 0 40 FIAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 45715968 RDZCUPNOZUFSTO-FQEVSTJZSA-N 370.452 4.269 0 40 FIAB CCN(CC)c1ccc(-c2nnc(SCc3noc(C4CC4)n3)o2)cc1 52889963 ZHBNYINUAAERIT-UHFFFAOYSA-N 371.466 4.136 0 40 FIAB O=c1c(Cl)c(Cl)cnn1CN1CCC[C@H]1c1cccc2ccccc12 57105216 PXRAETFRDARTNE-KRWDZBQOSA-N 374.271 4.498 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccc[nH]2)C[C@@H]1c1ccc2nccnc2c1 58047348 GUTBXLUJGADJFV-GOSISDBHSA-N 373.441 4.011 0 40 FIAB Cc1ncc(CN(C)C(=O)c2c[nH]cc2-c2ccc(Cl)s2)s1 64026704 DSAYNBBUQTZLPZ-UHFFFAOYSA-N 351.884 4.434 0 40 FIAB CCN1C[C@H](CN(C)C(=O)Nc2ccccc2Cl)Oc2ccccc21 65474605 IVLOQWFDGHOHMG-AWEZNQCLSA-N 359.857 4.091 0 40 FIAB Cc1cc(-c2cnc(N3C[C@H](C)O[C@H](C)C3)nc2-c2ccc(C)s2)on1 72337391 NISARHOANDYHCE-BETUJISGSA-N 370.478 4.091 0 40 FIAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccn3)n2)cc1 80341537 XULKFEZPEXRKIL-SDNWHVSQSA-N 370.412 4.214 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)CCCC(=O)N2 84736553 KALZQUAJDTWZQE-QGZVFWFLSA-N 354.475 4.173 0 40 FIAB COCOc1ccc(OC)cc1CN[C@@H](C)c1ccc2c(c1)CCCC2 89905090 IFBKYWDEFIUWPG-INIZCTEOSA-N 355.478 4.408 0 40 FIAB O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1C[C@@H]1c1ccccc1F 95385710 QISMVLZLSDWPSV-CVEARBPZSA-N 374.253 4.497 0 40 FIAB O=C(CSc1nc2ccccc2o1)Nc1cc(F)cc(N2CCCC2)c1 95393784 MVGGCWYHKKTHQE-UHFFFAOYSA-N 371.437 4.298 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 95481660 MDJGZFZCCFHQBG-LBPRGKRZSA-N 373.865 4.187 0 40 FIAB CO[C@](C)(CNC(=O)c1ccc(OC(C)C)cc1)c1cccc(Cl)c1 96392505 UGVAWIGGBDJUHX-HXUWFJFHSA-N 361.869 4.419 0 40 FIAB C[C@H]1CCN(C(=O)Nc2ccn(-c3ccccc3)n2)[C@@H](c2ccco2)C1 154060189 CWOZDYBEFCMQGW-DOTOQJQBSA-N 350.422 4.470 0 40 FIAB O=C(COc1cccc(Cl)c1)NCCSCc1cccc(Cl)c1 222764400 PFXZUUOVDJCWGM-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CCOc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1Cl 224078536 VUCQAOMDPCKAMZ-UHFFFAOYSA-N 369.852 4.163 0 40 FIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 224342217 XNPRBOJGBKSHFF-WOJBJXKFSA-N 362.502 4.160 0 40 FIAB COC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224966244 XVNAYWXABJTNHU-ZDUSSCGKSA-N 370.836 4.427 0 40 FIAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1c(F)cccc1F 225808461 PCMRECLHPCNYNT-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB Cc1cccc(-c2noc(CNC(=S)Nc3cccc(Cl)c3)n2)c1 225814387 BEZQNPSAENNWGP-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB CC(C)Oc1ccc(NC(=O)C(C)(C)Br)c2cccnc12 225880618 PKTSNNOGHMOVQY-UHFFFAOYSA-N 351.244 4.134 0 40 FIAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225962331 UVJZHLKSPVMJCH-HOTGVXAUSA-N 369.538 4.211 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1C 408707934 MSWHJEBTORLWEE-VIQWUECVSA-N 370.537 4.377 0 40 FIAB O=C(O)c1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccncc2)cc1 409417471 GZYDEICJUQYZRY-FQEVSTJZSA-N 361.376 4.275 0 40 FIAB O=C(Cc1ccccc1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 519327669 JJWQZWFIAPRRLD-KRWDZBQOSA-N 368.235 4.275 0 40 FIAB Clc1cc(Br)c(Br)nc1Br 575433980 BCOBOCJHOOSAPE-UHFFFAOYSA-N 350.235 4.023 0 40 FIAB COc1ccc(CC(=O)N[C@H](C)Cc2csc3ccccc23)cc1OC 575619323 DCZPDONVWOQWLM-CQSZACIVSA-N 369.486 4.208 0 40 FIAB CCOc1cccc(CN2CCC(c3ccncc3)CC2)c1OC(F)F 585084429 BZAMYBPZTXXJNY-UHFFFAOYSA-N 362.420 4.461 0 40 FIAB Cc1sc(CCNC(=O)c2cncc(Cl)c2)nc1-c1ccccc1 1544146093 LGPYECXHRSFWGK-UHFFFAOYSA-N 357.866 4.139 0 40 FIAB COC(=O)c1ncnc(Oc2ccc([C@@H](C)c3ccccc3)cc2)c1OC 1650733266 UYJMWIGYQFIODR-AWEZNQCLSA-N 364.401 4.216 0 40 FIAB CC(=O)N1CCN(c2ccc(NCc3ccc(C(C)C)cc3)cc2)CC1 679205 YPSOIWDVVYFYDP-UHFFFAOYSA-N 351.494 4.091 0 40 FIAB CCOc1cccc2cc(C(N)=O)/c(=N/c3cccc4ccccc34)oc12 685729 DBEVSQMJRHUKQB-GYHWCHFESA-N 358.397 4.316 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 816195 DXFJKOIBDLEEQS-JTQLQIEISA-N 352.217 4.485 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)n1-c1ccccc1 907556 FBIGASTYDZCBTB-CQSZACIVSA-N 352.463 4.003 0 40 FIAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3)n2)cc1 939575 RAIMZYNSIPKKKN-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc2c1CCCC2 941467 NNROUQKYDPMXSU-VAWYXSNFSA-N 371.458 4.074 0 40 FIAB CCN(CC)C(=O)c1ccc(COc2ccccc2Br)o1 1083481 LAVLCOBDPUMJDX-UHFFFAOYSA-N 352.228 4.103 0 40 FIAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 1266412 FTPMFUUDIYQONQ-DHZHZOJOSA-N 369.896 4.134 0 40 FIAB O=C(NC(=O)c1c(F)cccc1F)Nc1nc(-c2ccccc2)cs1 1869742 XVYUGWUTPICLIU-UHFFFAOYSA-N 359.357 4.050 0 40 FIAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 2388804 ADSOTOKRHKLAKG-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB CSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 2394683 ONSQCXUDCOLLSS-AWEZNQCLSA-N 374.466 4.081 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)NC1C2CC3CC(C2)CC1C3 3260288 VVPPKYMEHMREHZ-UHFFFAOYSA-N 353.384 4.025 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 3592994 BONVISJYCCMAFJ-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(C)cc3)nc1-2 3651685 BVKHVUZELWXEFK-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB Cc1cccc(CC(=O)N2CCN=C2SCc2ccccc2Cl)c1 4120285 VQXVHMXWELCYSI-UHFFFAOYSA-N 358.894 4.323 0 40 FIAB O=C(CSC1=NCCS1)Nc1nc(-c2ccc(Cl)cc2)cs1 4668936 CIMPYJIIXVZHKR-UHFFFAOYSA-N 369.924 4.238 0 40 FIAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5347147 ZKYBVFAAEPBYGG-NSHDSACASA-N 366.339 4.070 0 40 FIAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 6056477 CWCQKODYKDVSHN-HNNXBMFYSA-N 366.490 4.312 0 40 FIAB C[C@H](Sc1nncn1-c1ccccc1F)C(=O)c1c[nH]c2ccccc12 6129128 MLPSGHMWGWLRBH-LBPRGKRZSA-N 366.421 4.251 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3ccc4c(c3)CCCC4)sc2c1 6145392 GKOHOOUXPXFIQV-UHFFFAOYSA-N 366.442 4.214 0 40 FIAB CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2C)CC1 6418203 YRIGKSWNKQYWEY-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB Cc1nn2c(Br)c(C34CC5CC(CC(C5)C3)C4)nc2s1 6550203 ZEVPPSTZUOKLOV-UHFFFAOYSA-N 352.301 4.330 0 40 FIAB CSCc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 6652030 KNYKZQCYMSEAHH-UHFFFAOYSA-N 354.519 4.129 0 40 FIAB COc1ccc2c(C)cc3nnc(SCCOc4ccccc4)n3c2c1 6830997 TVWAYYZNOGWRIR-UHFFFAOYSA-N 365.458 4.371 0 40 FIAB O=C(CCc1cccnc1)N1CCc2sccc2[C@H]1c1cccs1 7258426 ZCXOMNOSOJUUKI-IBGZPJMESA-N 354.500 4.312 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 7593682 GTVIFRZLTKYQJQ-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)C[C@H]2C=CCC2)cs1 8328222 DAQUCMLYPQRHII-HNNXBMFYSA-N 370.474 4.032 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 10402193 LRKWRTVLRRDUAM-UHFFFAOYSA-N 352.482 4.019 0 40 FIAB CCCc1n[nH]c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1 11463664 XTFYGJZSQFVDLD-UHFFFAOYSA-N 352.463 4.155 0 40 FIAB Cn1nccc1C(=O)Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1 11695071 WXOKSXFCUNFQBR-UHFFFAOYSA-N 374.469 4.387 0 40 FIAB C[C@@H]1CCCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)[C@@H]1C 12365437 SGHMKUYXKPWNIZ-HZPDHXFCSA-N 370.497 4.464 0 40 FIAB O=C(CNc1ccccc1N1CCCCC1)N1CCSc2ccccc21 12549500 WSZXRFCKXWWSLL-UHFFFAOYSA-N 367.518 4.228 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)c(OC)c1 12770583 RJRLFWOQDNKPNQ-XEDBTPMOSA-N 351.446 4.389 0 40 FIAB COc1cccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)c1 12777139 FBSDGUMWOBYPBJ-UHFFFAOYSA-N 354.431 4.291 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1cccs1 13014701 HBWZUOHWKBDZKD-AWEZNQCLSA-N 366.845 4.174 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 14019932 COUTXYFKBNYAMI-OAHLLOKOSA-N 350.871 4.231 0 40 FIAB Cc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15317939 OTGURPKCGYOWGA-UHFFFAOYSA-N 363.486 4.262 0 40 FIAB Clc1ccc(CNCc2cc(Br)c3c(c2)OCO3)cc1 15566006 KVOUAMYOYOGHTG-UHFFFAOYSA-N 354.631 4.121 0 40 FIAB COc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc(OC)c1OC 18131188 HVKGWGKFNMJXLE-KRWDZBQOSA-N 357.450 4.230 0 40 FIAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCC3)CC[C@@H]21 19406566 DOQJBJRYOBEKIQ-UFYCRDLUSA-N 358.551 4.107 0 40 FIAB COc1ccc2oc(C(=O)N(Cc3ccccn3)C3CCCC3)cc2c1 19563572 LXUZILLYAAESTF-UHFFFAOYSA-N 350.418 4.421 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)[C@H]2CCCO2)n1 19691468 ZFYRLCXPJIOJPQ-VQTJNVASSA-N 354.425 4.039 0 40 FIAB c1ccc(-c2nnc(SCCN3CCCC3)nc2-c2ccccc2)cc1 19797040 HYEYHIJEHTULJS-UHFFFAOYSA-N 362.502 4.394 0 40 FIAB Clc1cccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)c1 19892002 BMJHJRINWVSJKW-HNNXBMFYSA-N 364.836 4.479 0 40 FIAB Fc1ccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)cc1 19929035 PTYIRKZODMUQBJ-UHFFFAOYSA-N 368.393 4.142 0 40 FIAB Fc1cccc(Cl)c1CN1CCN(c2nc3ccccc3s2)CC1 20405010 JNRDKMLQIYZVBV-UHFFFAOYSA-N 361.873 4.411 0 40 FIAB CCc1noc(CSc2nc(-c3ccccc3)c3c(C)cc(C)nn23)n1 22750986 HYQFZZQTTGYIAO-UHFFFAOYSA-N 365.462 4.251 0 40 FIAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 23186791 ARQIQXGIRJSBBM-QHCPKHFHSA-N 374.415 4.460 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1c(C)[nH]c3ccccc13)O[C@H](C)C2 24396985 QDQRBTNVGNUWNB-CYBMUJFWSA-N 364.445 4.128 0 40 FIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-n2ccnc2)nc1 24548064 HJBBNHMZGNPYKF-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CCCn1c(SCC(=O)N2CCCC2)nc2ccc(C(F)(F)F)cc21 24750571 FMQPMDFUTYYVMH-UHFFFAOYSA-N 371.428 4.180 0 40 FIAB C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccccn1 24978682 XVAGXROAXCAMQK-VGOFRKELSA-N 370.456 4.266 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccsc2)N(C)C)sc2cccc(F)c12 25330782 BFXGMPBECVBQSS-AWEZNQCLSA-N 362.495 4.443 0 40 FIAB COc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 27749583 ONAOQTQZSDQEFK-SFHVURJKSA-N 358.507 4.104 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccccc2C(F)(F)F)c1 27975018 OMMKZPNSHYIUBZ-CQSZACIVSA-N 351.368 4.406 0 40 FIAB Cc1ccccc1Cn1nc(C)c(NC(=O)Cc2ccc(F)cc2)c1C 28226420 VQXARAPYDJBQCP-UHFFFAOYSA-N 351.425 4.177 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(F)cc3F)c2C)c1 32609745 LYJYNXBDUNCDPV-UHFFFAOYSA-N 371.387 4.087 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCCOc1cccc(Cl)c1 32957572 NKNAZMCIWIHGML-UHFFFAOYSA-N 370.836 4.378 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 32978676 ITIJOHGVCKROIB-OLZOCXBDSA-N 354.475 4.173 0 40 FIAB CCCc1nc(SCC(=O)Nc2ccccc2OC)c2ccccc2n1 35291569 MBIXKWYKFPIEQG-UHFFFAOYSA-N 367.474 4.322 0 40 FIAB CN1CCC(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)CC1 36611119 WDXOAIWVSRFNEP-UHFFFAOYSA-N 374.484 4.243 0 40 FIAB CC(=O)c1sc(NC(=O)NCc2cccs2)nc1-c1ccccc1 36709306 XXARTUKVSVMMKF-UHFFFAOYSA-N 357.460 4.396 0 40 FIAB CC(=O)c1ccc(OCC(=O)N(C)C2CCC(c3ccccc3)CC2)cc1 40070344 YYEVSJWRSRUYQG-UHFFFAOYSA-N 365.473 4.453 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C(C)C 41095693 MXWDSHOPANCECR-UHFFFAOYSA-N 354.859 4.058 0 40 FIAB CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 57301801 XVELDBZHBLEZHS-ONTIZHBOSA-N 353.462 4.465 0 40 FIAB Cc1cc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)ccc1N1CCCC1 57935289 YLQCNVOMQRKCMR-JXFKEZNVSA-N 359.514 4.312 0 40 FIAB Cc1ccccc1-c1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 58019914 RMWOOOXFRSFTTH-UHFFFAOYSA-N 368.868 4.021 0 40 FIAB COc1cc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 58160988 PEFFXSJBARLOFG-NSHDSACASA-N 364.829 4.249 0 40 FIAB Cc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)on1 58218610 CRIOJDIIKQTAJF-UHFFFAOYSA-N 367.232 4.025 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)N[C@H](c3cccs3)C3CCCC3)C2)n1 61865101 PSQXHFJSZPFJDM-WBVHZDCISA-N 374.510 4.260 0 40 FIAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc1 64301441 JRKHWTKPKJETBL-UHFFFAOYSA-N 365.408 4.130 0 40 FIAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@@H](c1cccc(O)c1)CC(O)=N2 71282782 FUHGUFGBJYYGAU-MRXNPFEDSA-N 355.438 4.291 0 40 FIAB CCc1ccccc1Nc1nc(C)c(C(=O)NCCCOC(C)C)s1 71326583 OTMMDISLSJOVGS-UHFFFAOYSA-N 361.511 4.302 0 40 FIAB Fc1cccc(Cc2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)c1 72350099 QSJBIRLDVRRXAX-SFHVURJKSA-N 354.469 4.170 0 40 FIAB Cc1cc(=O)oc2cc(Oc3ncccc3NC(=O)C3CCC3)ccc12 72403538 NEEVCWTYDOFUOT-UHFFFAOYSA-N 350.374 4.027 0 40 FIAB biogenic Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nccn4C)c3)on2)cc1 84171850 UKNAHUFOZGFAOY-UHFFFAOYSA-N 358.401 4.303 0 40 FIAB Cn1c(C(=O)Oc2ccc(NC(=O)c3ccco3)cc2)cc2ccccc21 84313926 OUOFZLISYKXVAU-UHFFFAOYSA-N 360.369 4.243 0 40 FIAB Cc1cc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)nc(N2CCCCC2)n1 95450169 MOBGAMXCEBYJTA-QVKFZJNVSA-N 368.500 4.328 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(CCN2CCCC2)c1 95455580 ZZIYWSXLXVDJDS-UHFFFAOYSA-N 358.869 4.239 0 40 FIAB COc1cccc2c1ccn2CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21 96223517 LBZGRURPMLPSSW-LJQANCHMSA-N 373.456 4.325 0 40 FIAB Fc1ccc([C@H]2Cn3nc(-c4nc(C5CCCCC5)no4)cc3CO2)cc1 97078051 ZDTNJGSZHUIXNC-GOSISDBHSA-N 368.412 4.391 0 40 FIAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C(=O)C[C@@]2(C)C1 118914879 XJADJSSOKJQZDB-XGSMODIZSA-N 360.494 4.099 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1OC 216251271 HJRXXIVSJNXINL-KBXCAEBGSA-N 371.502 4.378 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 216251695 QWUBSZVAYHEODR-MRXNPFEDSA-N 361.825 4.313 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)c1cc3ccccc3o1)CC(C)(C)O2 219948738 JWOHGKYKBIMFTQ-INIZCTEOSA-N 351.402 4.474 0 40 FIAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222730473 NZGDXHGHXPXPNX-ROUUACIJSA-N 368.893 4.128 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 222752670 WNKHZFMGOGAUOC-INIZCTEOSA-N 372.896 4.174 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 222845731 FMZNOSIKQVCKLY-CQSZACIVSA-N 374.868 4.194 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)s1 223972791 MADKLDXDLPGIQQ-NSHDSACASA-N 351.497 4.180 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccc(OC)cc1 224595472 HBTLHQWSECJPMA-OAHLLOKOSA-N 357.450 4.201 0 40 FIAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cccc(C)c1 226288135 VTTYKVWJBYZZIE-UHFFFAOYSA-N 372.424 4.416 0 40 FIAB COc1cccc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)c1OC 228952304 XDNMHZUSCOOWQY-UHFFFAOYSA-N 358.438 4.349 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C(=O)[C@H]2C1 408681387 JFZZKXJCEBEYSR-PMACEKPBSA-N 374.440 4.093 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 409099485 NSPQCJWRVFIZRF-LDADJPATSA-N 369.442 4.330 0 40 FIAB Cc1csc(CNC(=O)c2cnc(OC3CCCCC3)c(Cl)c2)n1 549570777 BZXAPXDDXVJYJZ-UHFFFAOYSA-N 365.886 4.141 0 40 FIAB C[C@H](O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 585655905 MIRGLMHHZWHYAJ-WDEREUQCSA-N 354.233 4.453 0 40 FIAB COc1cc(NC(=O)NC[C@H]2CCC3(CCCC3)O2)ccc1OC(C)C 654039746 KERZDFJVXDGVKQ-MRXNPFEDSA-N 362.470 4.096 0 40 FIAB O=C(Nc1ccc(C2CCC2)cn1)N[C@H](Cc1ccccc1)c1ncco1 654104310 NMDDDQKKBFEGED-GOSISDBHSA-N 362.433 4.443 0 40 FIAB Cn1ccc(Nc2ccc(C(=O)Nc3ccn(C4CCCCC4)n3)cc2)n1 1118760153 YNSMLJARBRHGAR-UHFFFAOYSA-N 364.453 4.118 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(Br)cc1 678340 LAUUQIJEWHKTJV-UHFFFAOYSA-N 374.259 4.311 0 40 FIAB O=C1CC[C@@](C(=O)Nc2ccccc2)(c2ccccc2)N1Cc1ccccc1 888662 FPJYCGQJANAKGP-DEOSSOPVSA-N 370.452 4.343 0 40 FIAB Cc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1 1436607 HXRMWDRPSLHBPD-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB CCCc1nc(N2CCOCC2)c2sc(=S)n(-c3ccccc3)c2n1 1444442 VQKUYVMRAIGQSK-UHFFFAOYSA-N 372.519 4.001 0 40 FIAB O=C1C(=O)N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 1618580 WFKJZQQXVCQTGQ-UHFFFAOYSA-N 354.576 4.017 0 40 FIAB COc1ccc(CN(CC[C@@H](c2ccco2)C(C)C)C(C)=O)cc1OC 2212082 CYYIUYNNUCBPQI-GOSISDBHSA-N 359.466 4.475 0 40 FIAB biogenic COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCCC2)cc1 2301032 QLXRHXFJDXCFTM-UHFFFAOYSA-N 366.461 4.400 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C)c1 2446624 NKZJHPPHBUODIS-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB O=C(CSc1nnc2ccccn12)Nc1ccccc1Cc1ccccc1 2643376 GZCVSCBICDIBKL-UHFFFAOYSA-N 374.469 4.051 0 40 FIAB O=C(OCCOc1cccc(Br)c1)c1ccc2ccccc2n1 3523564 RQEDNSNWKMPIKB-UHFFFAOYSA-N 372.218 4.233 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1 3555930 MWVMYJAWZGSYPA-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 4224039 HKCSCGKYTKQMSB-UHFFFAOYSA-N 350.399 4.157 0 40 FIAB CCn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 4224507 HSYREQQOFWOFAC-UHFFFAOYSA-N 368.458 4.163 0 40 FIAB COc1cccc(OCc2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 4511679 APQBCSYEUQCRJW-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2F)cc1 4675236 PXKUDZOMFVTVPI-UHFFFAOYSA-N 370.453 4.008 0 40 FIAB Cc1cccc(-c2noc(CN(C(=O)/C=C/c3ccccc3)C(C)C)n2)c1 4723540 BHEQNJDXAVFERO-OUKQBFOZSA-N 361.445 4.495 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136182 UMQIGFSHVQHPGO-UHFFFAOYSA-N 374.440 4.444 0 40 FIAB CCN(CC)C[C@@H](O)Cn1c(-c2ccc(OC)cc2)cc2ccccc21 5568011 WFIKGFWNMNPRGR-LJQANCHMSA-N 352.478 4.020 0 40 FIAB COc1ccccc1CC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 5607451 KATQVGSOXWIEGA-UHFFFAOYSA-N 366.442 4.203 0 40 FIAB CCCCCn1nc(C(=O)Nc2cc(F)ccc2C)c2ccccc2c1=O 5688191 CKFUFOPBEIQXKP-UHFFFAOYSA-N 367.424 4.287 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1 6429968 OOPSQTAHKVFAOH-UHFFFAOYSA-N 359.447 4.143 0 40 FIAB O=C(CSC(c1ccccc1)c1ccccc1)OCC(=O)c1ccc[nH]1 6508627 FHLNAWHRVVHIPB-UHFFFAOYSA-N 365.454 4.263 0 40 FIAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CC[C@@H]2OC(C)=O 6614824 QNJIISBPAUAVAF-VXKWHMMOSA-N 352.430 4.374 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccccc2OC)cc1 7275451 WLDMYQQVOHXSRH-UHFFFAOYSA-N 366.461 4.366 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 7495595 AXDRBQJPTZZVOB-QFIPXVFZSA-N 366.505 4.118 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3Cc2nnc(-c3ccco3)o2)cs1 7989684 WLYUSWOIYMAJKI-UHFFFAOYSA-N 364.430 4.324 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c(OC)cc1Cl 8041259 KIZNAIBCSNJTOR-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB C[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(-n2ccnc2)cc1 8163521 UYPOFRUHAHYWEB-KRWDZBQOSA-N 356.429 4.154 0 40 FIAB COc1ccc(COc2ccc(-c3nnco3)cc2)cc1Br 8222472 PZYZNBOHMNKCIP-UHFFFAOYSA-N 361.195 4.087 0 40 FIAB O=C(OCc1nc(-c2ccccc2)no1)c1csc(-c2ccsc2)n1 8544656 BYZGJGKYMKOAHY-UHFFFAOYSA-N 369.427 4.279 0 40 FIAB O=C(COc1ccccc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10692157 UQYWSHOSLKMPHC-NRFANRHFSA-N 370.452 4.495 0 40 FIAB O=c1[nH]c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 11990967 KJYQVBAPQBRDHD-UHFFFAOYSA-N 364.257 4.431 0 40 FIAB COCCn1c(SCc2cc(-c3ccco3)on2)nc2ccccc21 12529415 KWXGYIMASIAQTJ-UHFFFAOYSA-N 355.419 4.223 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2cn3ccc(C)cc3n2)cc1 12529717 GYZWHHALEHRRBU-HXUWFJFHSA-N 363.461 4.409 0 40 FIAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccccn1 12770785 ZMVZPOZTFQLWDM-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB CC(C)[C@H](NC(=O)N(C)Cc1ccccc1)c1ccc2c(c1)OCCCO2 12782514 CTAOJPRMPRRKFF-NRFANRHFSA-N 368.477 4.387 0 40 FIAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2oc(C(=O)OC)cc12 12788434 FFDDNODMSOCVFH-UHFFFAOYSA-N 359.765 4.112 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 12810181 CRLAIAQPBJRWEB-PGRDOPGGSA-N 366.505 4.326 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nc3ccc(F)cc3s2)c(OC)c1 12880664 FWMAGVDGJJWMQP-XBXARRHUSA-N 358.394 4.105 0 40 FIAB Cc1ccc(OCC(=O)NCCSCc2cccc(Cl)c2)cc1C 14396394 JEJKIPZXZRKTNQ-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCC(=O)Nc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 14405184 SULLULTWBFHZMR-UHFFFAOYSA-N 362.433 4.090 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 15796888 KPQORZDJBNDBSG-JLTOFOAXSA-N 356.466 4.108 0 40 FIAB C[C@H](OC(=O)c1ccc(-n2cccc2)cc1)C(=O)N1CCCc2ccccc21 16131692 IDWNSNXAPRPJQW-KRWDZBQOSA-N 374.440 4.002 0 40 FIAB C[C@H]1CN(C2(n3nnc4ccccc43)CCC(C(C)(C)C)CC2)C[C@H](C)O1 19830964 HEBZANDPEIGMJC-TWTVVONZSA-N 370.541 4.430 0 40 FIAB CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(C)cc1 20486386 DCWWGUOXAYRZBZ-QGZVFWFLSA-N 362.267 4.404 0 40 FIAB Cc1nc2cc(C(=O)Nc3ccc(N(C)C)nc3)ccc2n1-c1ccccc1 22394613 UKQDOBTVOOQCKX-UHFFFAOYSA-N 371.444 4.047 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1C 22524540 MDMKDDDEDLUACA-QGZVFWFLSA-N 357.519 4.374 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)[C@@H]1C 29373239 MJFMMCHSQSUGQZ-GPMSIDNRSA-N 354.450 4.194 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 30853571 LGJTYDXBFDRAMT-AWEZNQCLSA-N 374.481 4.226 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2cc1C 32670198 UGICOPXFTGTHBJ-URKNILKWSA-N 371.477 4.076 0 40 FIAB C[C@@H](NC(=O)CCc1ccccc1)c1ccc(OCc2cccnc2)cc1 32676842 QRDILKHPWHLIOT-GOSISDBHSA-N 360.457 4.471 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCn1ccc2ccccc21 33028393 QCOCFHSWSVBLNJ-OAHLLOKOSA-N 356.853 4.269 0 40 FIAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)cc1 36635809 HEQBEOUJLBVXPZ-ZDUSSCGKSA-N 369.635 4.391 0 40 FIAB COC(=O)CCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C 41107638 ORLHUZNSPDBWFI-UHFFFAOYSA-N 354.431 4.163 0 40 FIAB CCn1cc(C(=O)Nc2cccc(Oc3cnccn3)c2)c2ccccc21 43773235 VLNPKESOFCDFMR-UHFFFAOYSA-N 358.401 4.496 0 40 FIAB Cc1ccc(-c2ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1C 44319099 YYZHCJCBVQQBDD-IBGZPJMESA-N 369.461 4.491 0 40 FIAB Cc1ccsc1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44892890 KTTYEITXBOAONT-INIZCTEOSA-N 356.476 4.370 0 40 FIAB COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccco2)cn1 48239896 MJAZNGCVRISHTO-UHFFFAOYSA-N 353.378 4.106 0 40 FIAB COc1cc(CNC(=O)[C@]2(C)CC2(Cl)Cl)ccc1OC1CCCC1 48282162 GKBWBVIUUCVQAV-KRWDZBQOSA-N 372.292 4.217 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)Cc1cnn(-c2ccccc2)c1 48355095 VCWJGCRGRLYMHG-UHFFFAOYSA-N 359.882 4.178 0 40 FIAB Cc1ccc2c(Nc3ccc(C)c(F)c3)c(C(=O)N3CCCC3)cnc2n1 49004563 BTYBZIUCPIQVIS-UHFFFAOYSA-N 364.424 4.365 0 40 FIAB O=C(Nc1cccc(OC(F)F)c1)c1c[nH]c(=S)n1-c1ccccc1 53434120 CDNAFFHUJFKFQY-UHFFFAOYSA-N 361.373 4.389 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(-n2ccc(C)n2)c1 58014222 VKPBWUHIEHOBRO-SFHVURJKSA-N 351.475 4.392 0 40 FIAB C[C@@H](CC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1ccc(F)cc1 58197146 FCLUKRPVWPKJAF-INIZCTEOSA-N 374.500 4.007 0 40 FIAB O=C(NC1(c2ccc(F)cc2)CCCC1)c1ccc(Br)o1 58430220 ULPYZPIVHZKWIN-UHFFFAOYSA-N 352.203 4.381 0 40 FIAB CSCc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)o1 62581439 VEBDRQZNNHKCLP-UHFFFAOYSA-N 368.483 4.479 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCCC(C)C 62714880 PSBIYQMFRNBIOH-VZUCSPMQSA-N 355.434 4.478 0 40 FIAB Cc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 68301844 GNLLDNSXICUPCN-UHFFFAOYSA-N 373.391 4.029 0 40 FIAB C[C@H]1Sc2ccc(C(=O)Nc3ccnn3C3CCCCC3)cc2NC1=O 72967782 BIYUBUJBYVOSQW-GFCCVEGCSA-N 370.478 4.073 0 40 FIAB COc1cc(CNc2nccs2)ccc1OCc1ccc(Cl)nc1 95472047 NHNYDCHUWCLGDS-UHFFFAOYSA-N 361.854 4.391 0 40 FIAB O=c1cc(-c2ccccc2)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12 100232452 VOEYZLGQTVUCPN-UHFFFAOYSA-N 355.319 4.375 0 40 FIAB CCCNC(=O)OC[C@@]12CO[C@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 100568334 GXXFHMDMWMPTFR-FKNUBERRSA-N 373.493 4.324 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 102146630 LEJMRXFTGSUPAV-JYJNAYRXSA-N 373.493 4.301 0 40 FIAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(Cl)s1 211090611 JNPZJONUMATIHC-INIZCTEOSA-N 363.891 4.475 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219502799 AEHZNTXUMPFLSU-WBVHZDCISA-N 369.461 4.190 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 224078959 YARDZDNMPNYOPN-UHFFFAOYSA-N 366.505 4.098 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCN1CCc2ccccc21 224977540 YSOBFQLZEWPIIC-UHFFFAOYSA-N 370.496 4.465 0 40 FIAB COc1cccnc1NC(=S)N[C@@H](c1ccccc1)c1ccc(C)cc1 225513019 JBZNTFGIZOCBOY-IBGZPJMESA-N 363.486 4.475 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC(C)CC1 225721828 MAEZGXPUJFNSNH-UHFFFAOYSA-N 369.889 4.289 0 40 FIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225801635 YBVOPOLAPQNBDF-HXUWFJFHSA-N 365.470 4.184 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)cc1 226092819 AXBMCJQAZJNHCD-UHFFFAOYSA-N 351.406 4.045 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 408626502 HQPHIHJKEHMKMD-ZDUSSCGKSA-N 372.490 4.344 0 40 FIAB CCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 408751065 VZRZKBDAZZMAEF-RYUDHWBXSA-N 364.492 4.238 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)n1 409412878 XOEIHHKRZIVWCQ-QYWQTSRKSA-N 351.494 4.150 0 40 FIAB CCc1cc(=O)n(CC(=O)C(C)(C)c2ccccc2)nc1-c1ccccc1 576279314 SDAOQZCOKPPKSR-UHFFFAOYSA-N 360.457 4.020 0 40 FIAB Cc1noc2ncc(C(=O)N3CCC[C@H]3Cc3c(F)cccc3Cl)cc12 617463917 CKMDEWHHQCXEQJ-ZDUSSCGKSA-N 373.815 4.171 0 40 FIAB Cc1oc2c(C)c3o/c(=N/NC(=S)NC4CC4)c(C)c(C)c3cc2c1C 1775970838 DPYNGXFUEMQCBN-ZBJSNUHESA-N 369.490 4.163 0 40 FIAB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Cl)cc1 644720 JCTRZHRQZRMUNS-MRXNPFEDSA-N 370.619 4.060 0 40 FIAB O=C(CCCc1ccccc1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 706710 GPWDVJLXAABBSV-MAUKXSAKSA-N 368.399 4.039 0 40 FIAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccccc1 945266 HKODPZBPODONGO-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB in-vivo N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2F)o1 1237189 PAFPXMSEPAVMTQ-INIZCTEOSA-N 368.437 4.225 0 40 FIAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2cccc(F)c2)s1 1342194 HANQZJXVVMNIAL-UHFFFAOYSA-N 374.481 4.291 0 40 FIAB COc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1370455 LIEKUNYYPLIGRD-PMACEKPBSA-N 364.489 4.011 0 40 FIAB COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccccc2)CC3=O)cc1 1459821 SCRKZYIKSLIHLJ-GOSISDBHSA-N 373.456 4.053 0 40 FIAB Cc1ccc(-c2nc3c4c5c(sc4nc(C)n3n2)COC(C)(C)C5)cc1 2212727 STOZOMBWVYMQKY-UHFFFAOYSA-N 364.474 4.474 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc21 2291836 YYMQBXWNLGHKDW-UHFFFAOYSA-N 364.445 4.376 0 40 FIAB COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1cc(C)c(C)cc1C 2319468 AFZNJMWUBKPYIE-UHFFFAOYSA-N 354.381 4.271 0 40 FIAB Cc1cccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1C 2725263 XFNMNSMEHLRDQW-UHFFFAOYSA-N 352.312 4.112 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 2764189 VTVYSBUMKZVHRW-UHFFFAOYSA-N 360.244 4.419 0 40 FIAB O=C(CC1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3218093 BJRREIDEKMQESS-UHFFFAOYSA-N 356.388 4.061 0 40 FIAB O=C(COC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1 3235588 GMEPTNBZOKHIRI-UHFFFAOYSA-N 359.834 4.028 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 3290396 GQDGYTUWDKUSRS-UHFFFAOYSA-N 372.852 4.126 0 40 FIAB CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2Cl)NC(=O)N1 4030866 DMJSOBIAKIYHDR-BTJLNZGRSA-N 362.857 4.090 0 40 FIAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)Cc2cccs2)CSC3)c1 4087658 PSDQCMIXGOGZOT-UHFFFAOYSA-N 369.515 4.479 0 40 FIAB COc1ccc(CN(C(=O)c2ccccc2)c2ccccc2C(=O)O)cc1 4155043 DXBBEGNOXILMTA-UHFFFAOYSA-N 361.397 4.240 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)o2)cc1 5021039 MHRFJQHEJQICSN-CYBMUJFWSA-N 353.447 4.418 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 5277321 NLJFJIDZVZNCPY-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB COCCSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3 5561032 AHWHCPKUAPYBGP-UHFFFAOYSA-N 374.535 4.111 0 40 FIAB CCCc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 7055801 FZGONEXWQZKWAG-UHFFFAOYSA-N 354.269 4.202 0 40 FIAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 7221730 FPFNBBUVMPDJFR-LLVKDONJSA-N 365.355 4.103 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccccc2)cc1OC 7276029 WTBJRKNHDVGSCB-UHFFFAOYSA-N 366.461 4.366 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882474 QDMOEVWZZKUEJP-SFHVURJKSA-N 372.424 4.034 0 40 FIAB Cc1ccc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1C 7942424 VBDIGSIHLRWJOL-UHFFFAOYSA-N 356.429 4.349 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 8280312 JCIZTFIUJCCUKI-UHFFFAOYSA-N 366.446 4.239 0 40 FIAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1 8289476 LKJSFTVRJUTXBA-UHFFFAOYSA-N 372.273 4.104 0 40 FIAB Cc1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3cccc(C)c3n2)cc1 8471996 SETREQMOYCORBN-SFHVURJKSA-N 360.457 4.427 0 40 FIAB Clc1cccc(COc2cccc3ccc(N4CCOCC4)nc23)c1 8769721 QPCZUHZACOLTJO-UHFFFAOYSA-N 354.837 4.304 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)c(OC)c1 8776346 OSYDQCYCGDRQPP-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(F)cc1 10139752 BUANXJQWFMQNBP-UHFFFAOYSA-N 351.425 4.125 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 10260881 LQNVDWXHEGWUFU-INIZCTEOSA-N 358.804 4.124 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1 10440823 MFUCHWDTARJVIY-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 10684216 PJIILXILAZDDML-APWZRJJASA-N 368.477 4.319 0 40 FIAB CCOc1ncccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12531070 QPWUYAFSAXPWRH-UHFFFAOYSA-N 358.401 4.276 0 40 FIAB COc1cccc(CC(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 12541030 UOBNFDGZPGXZQD-UHFFFAOYSA-N 357.413 4.191 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12754587 QIJIQQOGTLVNDM-UHFFFAOYSA-N 366.461 4.028 0 40 FIAB COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1OCc1ccccc1 12754904 JZEVLGIRSCPREN-IRXDYDNUSA-N 353.462 4.392 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CCCCC3)o2)cc1 12810571 ZDHXLGXUZMLLHK-GFCCVEGCSA-N 373.478 4.439 0 40 FIAB C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccccc1Cl 12924534 JDMYJVDKQCAHJG-MEDUHNTESA-N 360.866 4.020 0 40 FIAB CN(Cc1cccc(Cl)c1)c1cnn(-c2ccccc2)c(=O)c1Cl 13096441 BRAXDXQGKHOOAV-UHFFFAOYSA-N 360.244 4.176 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 14072370 OXPLJLSDVVUNFG-LBPRGKRZSA-N 374.362 4.009 0 40 FIAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)cc1 14177819 QWAVMZMBWQGAIJ-XYOKQWHBSA-N 350.852 4.493 0 40 FIAB O=C1S/C(=C\C=C\c2ccco2)C(=O)N1CCOc1ccc(F)cc1 15010894 BUYKGVSGKGHAHF-QOSQHLEFSA-N 359.378 4.090 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c(N(C)Cc3ccccc3)ncnc21 17121502 QJLRKWPJVBULFN-UHFFFAOYSA-N 363.852 4.414 0 40 FIAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3ccccc3F)C2)on1 19120800 UFDRLUHGLYVDTL-AWEZNQCLSA-N 358.442 4.020 0 40 FIAB CCCC1C(C(=O)OC(C)(C)C)=C(C)NC(C)=C1C(=O)OC(C)(C)C 19594072 XGZQMGKQSIMQSW-UHFFFAOYSA-N 351.487 4.237 0 40 FIAB C[C@]12C[C@@H](Cc3ccccc3)N[C@H]1CCCCCN2C(=O)C1CCCC1 19713480 UDKBLMHXNXWUEP-GIWBLDEGSA-N 354.538 4.311 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Oc3ccc(C)cc3C)o2)cc1 20899648 JGOUJLXPBBZOKS-UHFFFAOYSA-N 370.430 4.060 0 40 FIAB O=C(COc1ccc(F)cc1Cl)OCc1nc2ccccc2s1 21439808 KIEMKTVNILBYCL-UHFFFAOYSA-N 351.786 4.211 0 40 FIAB Cc1c(C(=O)Nn2cnc3ccccc32)oc2ccc(Br)cc12 24830577 MGRYHUGXLAFHRJ-UHFFFAOYSA-N 370.206 4.237 0 40 FIAB CC[C@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(C)cc1 25320435 OYVSSWJUBYTOFT-FQEVSTJZSA-N 350.462 4.393 0 40 FIAB O=C(Nc1cccc(COc2cccc(F)c2)c1)[C@@H]1Cc2ccccc2O1 26009850 IBTLHEQBFMWXCA-NRFANRHFSA-N 363.388 4.347 0 40 FIAB CCOc1ccccc1C(=O)Nc1c(C)nn(Cc2ccc(F)cc2)c1C 28230319 VSWPLJHASVVCSN-UHFFFAOYSA-N 367.424 4.338 0 40 FIAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)cc1 28535116 CJKOGIKHCRKLBS-UHFFFAOYSA-N 369.424 4.473 0 40 FIAB COC(=O)[C@H]1CCCCN1Cc1cc(-c2ccc(Cl)cc2Cl)no1 28635222 WYHCWEDPEGUXGG-MRXNPFEDSA-N 369.248 4.176 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 29116017 ZTAKRCVJZQPUML-GOSISDBHSA-N 366.392 4.003 0 40 FIAB O=C(c1c(F)cccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 29269045 MSCMDFOLHCWNGL-UHFFFAOYSA-N 357.816 4.375 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc2NC1=O 32970131 BZVQTBXEKRWMNG-HUBLWGQQSA-N 370.474 4.108 0 40 FIAB COc1cc(C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC 33718881 XDTVAJVTGHMDOC-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB Cc1nc2ccc3nc(NC(=O)COc4ccccc4F)sc3c2s1 35586194 PDXDMUFEEQGBKT-UHFFFAOYSA-N 373.434 4.371 0 40 FIAB O=C(CCSc1ccccc1)NCC1CCN(Cc2ccccc2)CC1 38583354 ICMGWHDNPNPLIL-UHFFFAOYSA-N 368.546 4.197 0 40 FIAB C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccccc1C(F)(F)F 40051442 SKXPDPVXGYEOQW-GFCCVEGCSA-N 354.347 4.304 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)NC1CCCCCCC1)c1ccc(F)cc1 40071887 JCRMKUIMETWABZ-SFHVURJKSA-N 358.461 4.061 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1cccs1 40103885 RJXKLLHTWUOLBU-HNNXBMFYSA-N 372.519 4.296 0 40 FIAB CC(C)N(C(=O)CN1CCSC1=O)c1ccc(Nc2ccccc2)cc1 40157883 DSOGUQFOVFNZBQ-UHFFFAOYSA-N 369.490 4.340 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478263 RMSHOXTYTWGJKT-UHFFFAOYSA-N 369.808 4.159 0 40 FIAB Cc1ccc(Cn2c3ccccc3n3c(=O)cc(-c4ccccn4)nc23)cc1 40484771 SQZKSFSFSMUTIN-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(Sc3cc(Cl)nc(N)n3)o2)cc1 45026175 GEFFMIRJCISNQO-UHFFFAOYSA-N 361.858 4.211 0 40 FIAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47188594 QNAORRSSHGQACD-SNVBAGLBSA-N 373.865 4.012 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)cc2c1 48368616 ZRNOAAOYAWZINO-NSHDSACASA-N 374.387 4.297 0 40 FIAB CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 49581172 ABTDFUTXOQNWBE-NRFANRHFSA-N 361.489 4.498 0 40 FIAB Cc1cc(=O)oc2cc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)ccc12 49833605 DFSRMHLOQXJRMJ-UHFFFAOYSA-N 367.449 4.429 0 40 FIAB C[C@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)CN1CCCC1 58227203 CSTZEVYKYOUBIF-CQSZACIVSA-N 373.324 4.001 0 40 FIAB NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 59960912 IJNKFJWTZOPROM-UHFFFAOYSA-N 362.454 4.330 0 40 FIAB Cc1cc(C)n(Cc2cccc(CNC(=O)c3nccc4ccccc34)c2)n1 63505910 JTCGMGKPLSIZEU-UHFFFAOYSA-N 370.456 4.026 0 40 FIAB COc1ccc(CNC(=O)NCc2sc(-c3ccccc3)nc2C)cc1 67034891 PCISWRBTDGOTRI-UHFFFAOYSA-N 367.474 4.127 0 40 FIAB O=C(CCn1ccc2ccc(F)cc21)Nc1nc(-c2ccncc2)cs1 71284524 KOYIHGBBFNOVOZ-UHFFFAOYSA-N 366.421 4.328 0 40 FIAB CCOC(=O)c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2c1O 72414077 YTNVVCRPNAHFJM-UHFFFAOYSA-N 353.218 4.155 0 40 FIAB O=C(NC[C@](O)(c1cccs1)C1CC1)Nc1ccccc1C(F)(F)F 77099552 FGNALQNQZUHYRC-MRXNPFEDSA-N 370.396 4.186 0 40 FIAB COCC1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 78669795 IALNVOOTBRKVSP-UHFFFAOYSA-N 357.523 4.310 0 40 FIAB O=C1COc2c(cccc2C(=O)N2CCC[C@@H]2c2cccc3ccccc23)N1 84598320 ALWADIUBXGIVBE-HXUWFJFHSA-N 372.424 4.148 0 40 FIAB Fc1ccccc1N1CCN(C(=S)Nc2ccc3ccccc3c2)CC1 84605939 QQILPBDSNPVWQQ-UHFFFAOYSA-N 365.477 4.498 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 89212629 SVYRSMAAZQQJIN-AWEZNQCLSA-N 355.276 4.261 0 40 FIAB O=C(c1ccccc1SC(F)F)N1CCN(C2CCCCC2)CC1 89809709 SVURCQGJJUILKZ-UHFFFAOYSA-N 354.466 4.092 0 40 FIAB Cn1cc(-c2cccs2)nc1CCNC(=O)/C=C/c1ccccc1Cl 90606954 IKBPERSUQBOBQO-CMDGGOBGSA-N 371.893 4.174 0 40 FIAB C[C@H]1C[C@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCO1 95458143 BSKXJXVEXSPGMT-LSDHHAIUSA-N 360.454 4.055 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CC=C(c2ccc(F)cc2)CC1 101085774 CLWBOQIJDZBCGB-TWVWUCKLSA-N 369.480 4.163 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cncn1)(C3)C2 102833700 KKAGALZTOVTWOT-SNEKZUEESA-N 370.884 4.174 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 168139513 YUAJRYVPKJFWGD-UHFFFAOYSA-N 373.371 4.415 0 40 FIAB CC[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 223124719 KFXOFHFABPWGRD-HXUWFJFHSA-N 365.473 4.494 0 40 FIAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2Cl)cc1C 223445197 WNVWUDWCTCSQAP-OAHLLOKOSA-N 351.899 4.446 0 40 FIAB CC(C)Sc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 223471193 BQLQKAXJUZWPPX-UHFFFAOYSA-N 351.497 4.180 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccccc1OC 223828576 BJIFIEVGCOBFEV-NRFANRHFSA-N 367.489 4.390 0 40 FIAB Cc1cccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1C 223936686 BWFUHHKWTNYLLM-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccccc2F)cc1Cl 224182471 KFULWHHKTOJPMT-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CCc3ccc(C)c(C)c3)ccc21 225123792 TXFWRHCHYUFFAG-UHFFFAOYSA-N 354.475 4.271 0 40 FIAB CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1 225133032 AQCRSOLRLSPODT-UHFFFAOYSA-N 355.790 4.245 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225157161 ATARJRCNVHHRBR-UHFFFAOYSA-N 370.474 4.224 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(OC)cc2)c1C 225465541 CQBZKBLFTXQLDF-CQSZACIVSA-N 372.490 4.228 0 40 FIAB Cc1ccc(C2=N/C(=C/c3ccncc3)C(=O)N2c2ccc(F)cc2)cc1 408841857 IBNWEEFVFNGQMC-XSFVSMFZSA-N 357.388 4.364 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NCC2CCN(CC(F)(F)F)CC2)cc1 444046527 ZCFUAELZRRYGCO-UHFFFAOYSA-N 371.447 4.380 0 40 FIAB CC(C)c1nc2n(n1)CCC[C@H]2Nc1ncc(F)c(-c2ccsc2)n1 557246078 FURZMIVFKXNTFX-CYBMUJFWSA-N 358.446 4.006 0 40 FIAB CC[C@@H](C(=O)NC[C@H](c1ccsc1)n1nc(C)cc1C)c1ccccc1 575613335 FTXANIUVDACQJM-WOJBJXKFSA-N 367.518 4.461 0 40 FIAB CCC(CC)c1cc(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)on1 585080130 QCGYEGNFJPSDLG-QGZVFWFLSA-N 361.873 4.018 0 40 FIAB FC(F)(F)c1ccc(-c2n[nH]cc2CN2CC[C@@]3(CCCOC3)C2)cc1 585081409 AKHPAJOQQJFUBA-SFHVURJKSA-N 365.399 4.098 0 40 FIAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(CCC(C)C)C[C@H]23)o1 585109604 CWXCQSHHOFHTGY-IRFCIJBXSA-N 352.478 4.134 0 40 FIAB CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CCCC12CCCCC2 661432932 FPCJDABISJQBJO-CQSZACIVSA-N 372.435 4.083 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1772491878 VMDWSMDCEKVFLR-ICWWQFESSA-N 374.521 4.201 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCC1(c2ccsc2)CC1 1889015943 NQWRVSOQSCCRAX-UHFFFAOYSA-N 356.274 4.282 0 40 FIAB O=C(Nc1cccc(C2OCCCO2)c1)c1cc(F)c(F)cc1Cl 645773 RNOLZVRUNXYCCZ-UHFFFAOYSA-N 353.752 4.306 0 40 FIAB COc1ccc([C@@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 803148 FXEYVUGHTJFIQK-PMACEKPBSA-N 371.444 4.168 0 40 FIAB CC(C)C(=O)N[C@H](Nc1cccc2cccnc12)C(Cl)(Cl)Cl 833047 SWLMOECQHBGGSD-AWEZNQCLSA-N 360.672 4.115 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2c3c(cccc13)CC2 848907 INOHXFNDZDTDTF-UHFFFAOYSA-N 358.441 4.027 0 40 FIAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1 976183 ZNEDVUNMTAGXHV-UHFFFAOYSA-N 372.403 4.390 0 40 FIAB Cc1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 1321084 BGEMQHVYMBCSCE-HNNXBMFYSA-N 367.518 4.361 0 40 FIAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)c2ccccc12 3009719 BFJGQBNQTLPPFP-RGEXLXHISA-N 361.397 4.094 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3217272 MAHZKSKRUDLPMU-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB CCCSc1nnc2n(-c3c(C)cccc3C)c(=O)c3ccccc3n12 3524641 VOZZTIABBVKIFH-UHFFFAOYSA-N 364.474 4.152 0 40 FIAB C[C@H]1CCC[C@H](C)N1C[C@@H](C)OC(=O)c1ccc(Br)cc1 3904940 JPIQNXLYUCFYCE-MELADBBJSA-N 354.288 4.257 0 40 FIAB CCc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1 3908132 UMIXMHHSIJPAJK-UHFFFAOYSA-N 352.390 4.174 0 40 FIAB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C(=O)c1ccc(C(C)(C)C)cc1 4319465 COMJMBRCSJVLCU-NAZJXLNTSA-N 370.489 4.494 0 40 FIAB CCOc1ccc2nc3sc(C(=O)N4CCCCCC4)c(N)c3cc2c1 4848829 JLOYSSYDPNOLPA-UHFFFAOYSA-N 369.490 4.447 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccccc1F 4888076 YPDHCYGCTJHXTM-MQVJKMGUSA-N 358.482 4.203 0 40 FIAB C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C 5109670 ZDXFHPRAOBICQB-RYUDHWBXSA-N 361.800 4.002 0 40 FIAB CCSc1c(-c2ccccc2)nc2c(C(=O)O)cccc2c1C(=O)O 5673878 YAHAVISFZRHLAU-UHFFFAOYSA-N 353.399 4.410 0 40 FIAB Cc1cc(C)c2[nH]cc(-c3nnnn3-c3ccc(Br)cc3)c2c1 5792872 BMVDLCKKAKPHGX-UHFFFAOYSA-N 368.238 4.190 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(O)cc2)CC1 6045235 TWDSWKUWADMFEI-UHFFFAOYSA-N 366.248 4.053 0 40 FIAB Cc1ccc2c(COC(=O)COc3ccc(Cl)cc3)cc(=O)oc2c1C 6302197 FYZIZYQJXIQUGI-UHFFFAOYSA-N 372.804 4.185 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](NCc1ccco1)c1ccccc1 6638983 CSHXLKZJDZUMHS-FQEVSTJZSA-N 350.418 4.148 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccccc2Cl)cc1 6652354 ADZPGVXACYCDLU-UHFFFAOYSA-N 372.896 4.074 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nonc2-c2ccc(F)cc2)c1 6661251 QJVYDWYXXBYATH-UHFFFAOYSA-N 369.396 4.325 0 40 FIAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1 6810671 OIKVMYDNEZCYEP-UHFFFAOYSA-N 353.393 4.335 0 40 FIAB COc1ccccc1OCC(=O)N(Cc1ccc(C)cc1)Cc1ccco1 6810673 ZNMDFXDBRRVBKR-UHFFFAOYSA-N 365.429 4.204 0 40 FIAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(F)c1 6885779 RDFQTLCYLFIOPT-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB O=C(O)/C(=C\c1ccc(N2CCCC2)cc1)Sc1nc2ccccc2[nH]1 7342974 ZUPVTTTWBIEUAI-QGOAFFKASA-N 365.458 4.381 0 40 FIAB CCN(CC)C(=O)[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 7419759 MEUHKPSWWJPOED-KRWDZBQOSA-N 370.522 4.192 0 40 FIAB C[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1Cl 7492256 PEIXGQYAIOYVQL-JTQLQIEISA-N 370.207 4.245 0 40 FIAB C[C@@H](NC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 7966140 YNZFFODOXFQVFY-RISCZKNCSA-N 350.245 4.422 0 40 FIAB CCOc1ccccc1NCC(=O)Nc1ccc(Br)cc1C 7975025 HMWKYSYAPQQASF-UHFFFAOYSA-N 363.255 4.207 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8041559 PCVVCMVFGIQPSY-HNNXBMFYSA-N 365.788 4.062 0 40 FIAB C[C@@H]1C[C@H](Sc2ncnc3cc(-c4ccc(F)cc4)sc23)C(=O)O1 8156985 QUPCMNIAANPPNV-OTYXRUKQSA-N 360.435 4.294 0 40 FIAB O=C(CSCc1ccccc1Cl)Nc1ccc(N2CCCC2=O)cc1 8242913 VCFBJHILKNAHOK-UHFFFAOYSA-N 374.893 4.339 0 40 FIAB COc1ccc(NC(=O)COc2c(Cl)cccc2Cl)cc1OC 8756983 JSYPCSCAMQOOQX-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB COC(=O)N(C)Cc1nc2ccccc2n1Cc1c(F)cccc1Cl 9002097 LEYMESNGMVVDEL-UHFFFAOYSA-N 361.804 4.075 0 40 FIAB CC(C)[C@H]1C[C@](CC(=O)NCc2cccnc2)(Cc2ccccc2)CCO1 9423753 ZLVSCYXXHREPGG-FYYLOGMGSA-N 366.505 4.152 0 40 FIAB Cc1cc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2cc1C 10157414 DZRIPQAZXVNYSR-UHFFFAOYSA-N 371.444 4.357 0 40 FIAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc23)c1 10253454 LWCWWYBEMVKOHT-UHFFFAOYSA-N 353.443 4.274 0 40 FIAB O=C(Nc1ccccc1O)c1cn(-c2ccccc2)nc1-c1ccccc1 13005434 XVNDXMHJOTVIHE-UHFFFAOYSA-N 355.397 4.497 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 13006852 CCNKGIYKGRGJKG-KUHUBIRLSA-N 359.853 4.480 0 40 FIAB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)c1ccoc1 13012547 YQDBWLQCZUJSIT-UHFFFAOYSA-N 363.236 4.342 0 40 FIAB Fc1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1 13788519 BGSMFXOKBGRIHZ-UHFFFAOYSA-N 357.223 4.214 0 40 FIAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(C)c(C)c1 15670753 DSLGQUSKXYNVSU-UHFFFAOYSA-N 351.406 4.395 0 40 FIAB CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)c1 15860318 NNRAIZCYVHVKIG-FQEVSTJZSA-N 370.493 4.190 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1Cc1ccccc1 16010947 PHMZQBQJIGHNDM-UHFFFAOYSA-N 372.468 4.263 0 40 FIAB Cc1ccc(-c2cnn3c(O)cc([C@@H](C)n4ccnc4C(C)C)nc23)cc1 19212934 YWGRCYASQCMFFY-OAHLLOKOSA-N 361.449 4.340 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1Cl 20035140 LADPENJIFCFOGB-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CC(C)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 20107275 KTQUKWVJFKDFJG-UHFFFAOYSA-N 366.870 4.087 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20144111 GAVXAEVHEYTXKQ-UHFFFAOYSA-N 361.825 4.488 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1cccs1 20400237 JJXIBEOFJNGLHO-ZDUSSCGKSA-N 369.273 4.298 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 20730705 CIUUUWGQCCXODA-INIZCTEOSA-N 366.808 4.375 0 40 FIAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3ccccc3s2)n1 21684362 VPCUNEAMNZMTIX-UHFFFAOYSA-N 354.460 4.033 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 24968612 OPDGFLXEFWKFMO-QRWLVFNGSA-N 361.445 4.018 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1N1CCCC1=O 27759968 NNQAXCDLFJXOTB-HNNXBMFYSA-N 370.880 4.218 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N(C)c3ccccc3)cc12 32642681 JLMQQCRFIJWYAM-UHFFFAOYSA-N 360.392 4.145 0 40 FIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 32740543 IWLZYDJEDWPVIB-UHFFFAOYSA-N 356.378 4.015 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 35597393 PZAOLSYXJUWSET-UHFFFAOYSA-N 371.404 4.050 0 40 FIAB CCOC(=O)c1c(O)cc(O)cc1/C=C/c1ccc(Br)s1 35973561 QXSYGIOVULQOSQ-ONEGZZNKSA-N 369.236 4.269 0 40 FIAB CCOc1ccc(NC(=S)NCc2ccccc2CN(C)C(C)C)cc1 36847605 IMNBJMGQVKSFSA-UHFFFAOYSA-N 371.550 4.412 0 40 FIAB O=C(c1ccc(Br)o1)N1CCSc2ccc(Cl)cc21 40071174 LAVYREXJNFYKQF-UHFFFAOYSA-N 358.644 4.448 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)c1 40267334 OSRWOZMNOWCCOS-CQSZACIVSA-N 355.344 4.283 0 40 FIAB O=C(NCCc1ccccc1F)N1CCC[C@H](c2nc3ccccc3o2)C1 43480453 BWKRGBZFZHQKDI-INIZCTEOSA-N 367.424 4.099 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2C)c(C)c1 44903391 XAFDOGKQODQQJZ-GOSISDBHSA-N 355.434 4.276 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Sc2nncs2)cc1 47407757 BZGZQYZLXJDZTM-XCVCLJGOSA-N 357.435 4.480 0 40 FIAB Cc1ccc(S(C)(=O)=O)cc1NCc1csc(-c2cccs2)n1 48300867 IQZBSVRNMGSCCI-UHFFFAOYSA-N 364.517 4.196 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(Cc1ccc(F)cc1)C3 55393796 KMUBNSNPVKKWBE-UHFFFAOYSA-N 365.404 4.163 0 40 FIAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nc2ccccc2s1 56342989 FWNPKUIEMJRGNI-UHFFFAOYSA-N 372.469 4.031 0 40 FIAB COC(=O)Nc1cc(NC(=O)N[C@@H]2CCCc3ccccc32)ccc1F 67323321 TTZFHGNIQFJNFW-MRXNPFEDSA-N 357.385 4.203 0 40 FIAB FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)cc1 67898602 UXMJXOZNMQAXCX-INIZCTEOSA-N 351.372 4.021 0 40 FIAB biogenic,in-vitro CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)C12CCCCC2 71285235 PQCCFCTUQIKRFY-KXBFYZLASA-N 354.494 4.006 0 40 FIAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214952 VJQMJSZTGLBEIR-KRWDZBQOSA-N 361.486 4.305 0 40 FIAB COc1ccc(CNC(=O)c2ccc(Oc3ccccc3OC)o2)cc1 72265334 JBXNDCLUFSEKHL-UHFFFAOYSA-N 353.374 4.019 0 40 FIAB O=C(OCc1ccc(Oc2cccnc2)cc1)[C@H]1COc2ccccc2C1 95350487 YNBNLERLPNEVEZ-GOSISDBHSA-N 361.397 4.168 0 40 FIAB OC1=Nc2ncn(-c3cccc(F)c3)c2[C@@H](c2ccc(O)cc2)SC1 95477446 RMKRIZMAYRYQIW-QGZVFWFLSA-N 355.394 4.141 0 40 FIAB C[C@@H](NC(=O)Nc1ccccc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96297075 NFKAQRGWLRABPB-LLVKDONJSA-N 369.352 4.062 0 40 FIAB biogenic,in-vitro O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1Cl 96308982 UOTFHZJURHFINW-GFCCVEGCSA-N 369.635 4.391 0 40 FIAB O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)NC1=NCCS1 100775354 UJHKGXHQEDZQMK-AJHHTPGJSA-N 354.519 4.134 0 40 FIAB C[C@@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2CC[C@H]1C2 103112253 RTXZBUSSCJLHIH-OBYXPLBJSA-N 360.567 4.018 0 40 FIAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)[C@H]1C[C@H]2CC[C@H]1C2 105148816 XRVZTHZDHJVNRN-ZQIUZPCESA-N 360.885 4.341 0 40 FIAB CC(=O)NC(C)(C)c1noc([C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1 113760241 ZAFMOZILROEWNA-NWDGAFQWSA-N 354.237 4.019 0 40 FIAB CCc1ccc(OCC(=O)NCCCc2cccc(OC(C)C)c2)cc1 218956055 RKCKCNBKQVSQKI-UHFFFAOYSA-N 355.478 4.164 0 40 FIAB O=C(NCc1ccccc1Cl)c1cnc(-c2ccc(Cl)cc2)nc1 222601142 BVNXFHAAGVUPEO-UHFFFAOYSA-N 358.228 4.380 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccco1 223014006 BRHKWWWVZCVZMW-KRWDZBQOSA-N 367.898 4.448 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccccc1F 223631366 OOMYLZGUDPTQDU-UHFFFAOYSA-N 373.815 4.120 0 40 FIAB CCc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1OC 223679914 FHQZRVCNHOGGFO-UHFFFAOYSA-N 359.369 4.077 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C)cc1C 224452774 ZVNPZLOSNSYEOO-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052634 OEJGDBSQYOZHJJ-CYBMUJFWSA-N 370.474 4.129 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053827 JMHTVUPEPGNLBK-MRXNPFEDSA-N 370.474 4.013 0 40 FIAB Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 257342590 ZPHZCTQIFUVXMQ-SFHVURJKSA-N 369.513 4.329 0 40 FIAB CN1CCN(Cc2ccoc2)C[C@@H]1c1ncn2cc(-c3ccccc3)ccc12 306143126 XTUHQIOZNRMKRG-JOCHJYFZSA-N 372.472 4.083 0 40 FIAB COc1cccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c1O 409136872 YTGKCRBHLRDMND-LGMDPLHJSA-N 369.442 4.070 0 40 FIAB O=C(O)Cc1c(-c2ccc(Cl)cc2)oc2c1c(=O)oc1ccccc12 524730878 APQFQXIKDSGSIG-UHFFFAOYSA-N 354.745 4.487 0 40 FIAB biogenic c1ccc([C@H]2c3ccccc3CCN2Cc2nnc3n2CCCCC3)cc1 550345296 YAAQCOIRARWYGW-QHCPKHFHSA-N 358.489 4.152 0 40 FIAB O=S(=O)(NCc1ccc(-c2ccoc2)o1)c1cccc(C(F)(F)F)c1 575609473 CAOPWBPWAFUAPH-UHFFFAOYSA-N 371.336 4.037 0 40 FIAB Cc1cc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@@H]2CCCO2)c(C)o1 670300045 FQEFCZZEYDUMPX-SJORKVTESA-N 372.513 4.206 0 40 FIAB C[C@@H](NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1)c1ccco1 2037846455 YQZQGZOKVNACQR-CQSZACIVSA-N 369.440 4.452 0 40 FIAB CCOC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O 812673 FSGQEEMFAWMSNU-CYBMUJFWSA-N 370.474 4.174 0 40 FIAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Cl 1782215 TZIJTLKRPXOWSV-UHFFFAOYSA-N 370.836 4.135 0 40 FIAB COc1cccc(N2COc3c(Cl)cc4c(C)c(C)c(=O)oc4c3C2)c1 2209449 JNVOOVSKUVEZRW-UHFFFAOYSA-N 371.820 4.428 0 40 FIAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)NC[C@@H]1CCCO1 2718357 WEWWDDQVCCWQTF-INIZCTEOSA-N 366.486 4.222 0 40 FIAB C[C@@H](OC(=O)c1ccccn1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3271833 LWYBXZKGLKMEIU-OAHLLOKOSA-N 362.385 4.058 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc2ccccn12 3504382 WRRUGHPCBNPRSH-UONOGXRCSA-N 354.479 4.362 0 40 FIAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C)cc2)C1=O 3659246 NOXJNUOMTIDVEI-BOPFTXTBSA-N 370.836 4.140 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccccc1Cl 4776887 ZZLVLBMMWNMYRX-UHFFFAOYSA-N 369.273 4.194 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1 4816832 COCVLHXZMBTEAY-ZWKOTPCHSA-N 352.825 4.019 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)c(Cl)c1 5126664 SPRLYWGRZFNWQU-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB Cc1ccc2cccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)c2n1 5198615 OYJUFCIHEDAXFA-UHFFFAOYSA-N 374.484 4.403 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(C)cc2C)c1 6610747 IRTVEXBLQSTZGO-UHFFFAOYSA-N 363.866 4.474 0 40 FIAB Cc1cc(C)nc(SCCCNCc2ccc(Br)cc2)n1 6678427 CWQUQPMTPLWLIB-UHFFFAOYSA-N 366.328 4.128 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 8029414 HYQBNTBTNXASDV-QGZVFWFLSA-N 368.433 4.287 0 40 FIAB COCCOc1ccc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc12 8091823 PZRJGBCOWLCMKA-HMMYKYKNSA-N 359.425 4.382 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1cccc2ccccc12)c1cccc(F)c1 8216450 VUDMMVHCXIXDPV-JOCHJYFZSA-N 373.431 4.161 0 40 FIAB COc1ccc(OCCCC(=O)N(C)Cc2nc3ccccc3s2)cc1 8265925 JCJOKPBZVGHFTN-UHFFFAOYSA-N 370.474 4.123 0 40 FIAB CC[C@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)c1ccc(C)cc1 9313492 DQYXAMACINJFHJ-KRWDZBQOSA-N 366.490 4.140 0 40 FIAB O[C@H]1c2cc(-c3ccccc3)cnc2Sc2nc(-c3cccs3)nn21 12336919 LIBNGLYNXZPROP-KRWDZBQOSA-N 364.455 4.072 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C)c1 12761110 LZDVUNRXHAUZRN-YPNIWSFNSA-N 351.446 4.389 0 40 FIAB O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1cccs1 12779401 HVXLCWVBQHXOJC-UHFFFAOYSA-N 351.353 4.264 0 40 FIAB CN(C(=O)CN1CCc2sccc2[C@H]1c1ccccc1)c1ccccc1 12901580 VMAJUHUIVFGLBF-JOCHJYFZSA-N 362.498 4.359 0 40 FIAB c1coc(Cn2c(SCc3cc(-c4ccco4)on3)nnc2C2CC2)c1 14110654 JSIKBDQUNLDJPU-UHFFFAOYSA-N 368.418 4.337 0 40 FIAB Cc1cccc(-n2c3c(c(SCc4ccc(F)cc4)nc2=O)CCC3)c1 15840549 RFGZLQMKSATVKI-UHFFFAOYSA-N 366.461 4.461 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)c1C 16644425 WSQOWGHNAOBHAY-UHFFFAOYSA-N 364.823 4.197 0 40 FIAB COc1ccc2nc(N3C(=O)CS[C@H]3c3ccccc3F)sc2c1 17198284 AMIUSWDOAGDUCF-INIZCTEOSA-N 360.435 4.223 0 40 FIAB Cc1ccc([C@H](Cc2ccsc2)NCc2nc3ccccc3n2C)nc1 19215657 SXUODWXEJDGDBS-IBGZPJMESA-N 362.502 4.412 0 40 FIAB Cc1nn2c(NCc3cccnc3)c3c(nc2c1-c1ccc(F)cc1)CCC3 19582121 MEEKOWQTTZFOPL-UHFFFAOYSA-N 373.435 4.340 0 40 FIAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)C3CCCCC3)CC2)C1 19590845 XRCMIIZEPADCEX-UHFFFAOYSA-N 370.537 4.231 0 40 FIAB O=C(CCCc1cn(CN2CCCC2)c2ccccc12)N1CCCCC1 20648629 AJCMCNBKCKCVIQ-UHFFFAOYSA-N 353.510 4.030 0 40 FIAB C[C@@H]1c2cccn2CCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 21315348 RJODNZAMAQVUPE-GFCCVEGCSA-N 362.355 4.134 0 40 FIAB CCC(CC)C(=O)n1c(N)nnc1-c1ccccc1-c1ccc(F)cc1 27914220 WBYJAYQTRJKAMB-UHFFFAOYSA-N 352.413 4.410 0 40 FIAB Cc1nc2c(cc1C(=O)Oc1cccc(Cl)c1Cl)c(C)nn2C 29754452 ZMQAAPSEQFLFNP-UHFFFAOYSA-N 350.205 4.111 0 40 FIAB O=C(CCc1ccccc1Cl)Nc1cccc(CN2CCCC2=O)c1 30127912 ONDWGOUOAPQSDG-UHFFFAOYSA-N 356.853 4.034 0 40 FIAB O=S(=O)(Nc1cccc(O)c1)c1cc(Cl)c(Cl)cc1Cl 32601909 ZJJINTNJLYQLHN-UHFFFAOYSA-N 352.626 4.153 0 40 FIAB CC(C)(C)c1cn2nc(NCc3cccc(NC(=O)C4CC4)c3)sc2n1 32895072 WFPSAXHGRNUTNV-UHFFFAOYSA-N 369.494 4.049 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2cc(Cl)sc2Cl)o1 35586435 KWKSJYSVMVIQLT-UHFFFAOYSA-N 372.208 4.425 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccccc2NC(=O)c2cccs2)o1 36714378 ILQLWVFPSFIXGI-UHFFFAOYSA-N 354.431 4.174 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)cc1 38500751 HABUNVSYYWKPAX-UHFFFAOYSA-N 359.788 4.316 0 40 FIAB COc1ccc(-c2ccc(SCc3cc(OC)cc(OC)c3)nn2)cc1 38718836 HPSJGQILIUHNAE-UHFFFAOYSA-N 368.458 4.462 0 40 FIAB CO[C@H](CNc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1 40051154 ROUIVYWFDFMEHJ-HXUWFJFHSA-N 356.429 4.491 0 40 FIAB Cc1ccc(C)n1-c1nc(CC(=O)N[C@@H](C)c2ccccc2F)cs1 40130367 NNNQKOLENVPHLW-AWEZNQCLSA-N 357.454 4.110 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 47196294 KCDIVMWOWWPORP-AWEZNQCLSA-N 363.454 4.058 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)c2sc(-c3cccs3)nc2C)on1 47287843 LVHHQANHDHJTOY-LBPRGKRZSA-N 359.476 4.454 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 47320602 OYXWOWDBURXTIU-GFCCVEGCSA-N 357.797 4.104 0 40 FIAB Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CC[C@@H]1CCCO1 58175355 ZVGVJIJMNFDUPS-PKOBYXMFSA-N 353.466 4.015 0 40 FIAB COc1ccccc1NC(=O)NCc1cccc(CN2CCCCCC2)c1 58216197 VVBUPLAXFSCWNP-UHFFFAOYSA-N 367.493 4.393 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 59291562 GLTHBKDRZSRCLI-UHFFFAOYSA-N 374.937 4.167 0 40 FIAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2C(=O)C2CCCCC2)n1 72376271 SBAQGLHBWJYOLB-SFHVURJKSA-N 365.481 4.167 0 40 FIAB C[C@@H](CNc1ccccc1)NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 79110582 NDJUZXYKZPRBFO-AWEZNQCLSA-N 374.435 4.187 0 40 FIAB CC(C)(C)c1ccc(Oc2cc(N3CCOCC3)cc3nonc23)cc1 85409399 TUMUKKCEHWGEJP-UHFFFAOYSA-N 353.422 4.149 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)NCCn1ccc2ccccc21 85431275 ZMFWYCHMAJSDRR-UHFFFAOYSA-N 359.429 4.045 0 40 FIAB Nc1ccc(F)c(NC(=O)CCN[C@@H](c2ccc(Cl)cc2)C2CC2)c1 95409278 PYANRDIOODUMIH-LJQANCHMSA-N 361.848 4.131 0 40 FIAB COc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)cc1 96046530 NQPVYIQEOLVJAL-UHFFFAOYSA-N 356.535 4.245 0 40 FIAB O=C(Nc1ccccc1)OCCOc1ncc(C(F)(F)F)cc1Cl 96179445 KEFBHSISGFPTAK-UHFFFAOYSA-N 360.719 4.381 0 40 FIAB Cc1nn(C)c(C)c1CNC(=O)c1ccc(Oc2ccccc2Cl)o1 96183813 DMFCLDVVRQXMRM-UHFFFAOYSA-N 359.813 4.006 0 40 FIAB Cc1cc(C(=O)NCc2ccc(Br)cc2)c(C(F)(F)F)o1 97162916 LOKQBUKJZPGDQD-UHFFFAOYSA-N 362.145 4.299 0 40 FIAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c[nH]c(=S)n1-c1ccccc1 97597495 MPWWENFOHXNERH-NEPJUHHUSA-N 369.412 4.386 0 40 FIAB Fc1ccccc1[C@H]1C=C(c2cccc(Br)c2)Nc2ncnn21 101100320 LUWDGXOGUQDDEY-MRXNPFEDSA-N 371.213 4.236 0 40 FIAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(Cl)cc1Cl 102179028 HTTPRUSVTODKIG-SRVKXCTJSA-N 356.249 4.301 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 110538356 DCYXTQSPAOVLME-COJSNBRMSA-N 358.482 4.433 0 40 FIAB Cc1ccc(CNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219455989 TVDVJWOLGHUQRY-UHFFFAOYSA-N 358.441 4.205 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1OC 219500926 LUOMUVVODAXCGF-QGZVFWFLSA-N 371.477 4.000 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1Cl 225282449 RNQCWBGNXAQZGG-UHFFFAOYSA-N 362.882 4.046 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(OC)cc2)c1 225465625 OQFGKUPELKRMKB-CQSZACIVSA-N 372.490 4.228 0 40 FIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N[C@@H](C)c2ccc(F)cc2)n1 225916785 GWCUDDJWVXAPGS-HNNXBMFYSA-N 364.424 4.467 0 40 FIAB Cc1cc(CN(C(=O)c2ccc3[nH]c(Cl)nc3c2)C(C)C)c(C)n1C 225985374 SBPBULUJDJNZDG-UHFFFAOYSA-N 358.873 4.222 0 40 FIAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(OC(C)C)cc1 226763350 WBBQXZYYJBAGPD-UHFFFAOYSA-N 363.255 4.379 0 40 FIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812511 DOWNRSPLJKBICN-UTKZUKDTSA-N 362.514 4.084 0 40 FIAB S=C(NC[C@@H]1CCCO1)c1ccccc1OCc1ccc(Cl)cc1 408577900 VOOYSWHIQWFAJW-INIZCTEOSA-N 361.894 4.363 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CCc1ccccc1 408587333 UAKNLWDFWGDOIF-AWEZNQCLSA-N 367.898 4.038 0 40 FIAB Cc1cc(Br)cc(C)c1NC(=O)CSc1ccccc1N 408600036 RRONOPGWORNQJX-UHFFFAOYSA-N 365.296 4.379 0 40 FIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 408707613 PBDPXQQYFNGSFU-UHFFFAOYSA-N 365.260 4.372 0 40 FIAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2sccc2C)C1=O 409168661 NWZWMJYQCDORAU-OQLLNIDSSA-N 372.471 4.040 0 40 FIAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 409329955 JBXZDOXJWLPIIF-PDGQHHTCSA-N 351.427 4.168 0 40 FIAB CC(C)c1ccc(OCCC(=O)NCc2cccc(-n3ccnc3)c2)cc1 523733401 ZYQLRNVTBUVKEX-UHFFFAOYSA-N 363.461 4.081 0 40 FIAB O=C(N[C@H]1CCC12CCOCC2)c1cccc(Oc2ccc(F)cc2)c1 585410246 YJJDQWDUPYFJSJ-IBGZPJMESA-N 355.409 4.307 0 40 FIAB CSCc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 608989864 KKJWOVYWJAPLLN-CRAIPNDOSA-N 368.502 4.098 0 40 FIAB Cc1nc([C@@H](C)NC(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)cs1 623585814 BMDINASPCROYSU-RISCZKNCSA-N 365.449 4.380 0 40 FIAB Brc1cc(C2CCC2)cnc1NCc1cn(C2CCC2)nn1 656776886 QJWKYASLQGUKNQ-UHFFFAOYSA-N 362.275 4.040 0 40 FIAB CN1C(=O)CN=C(c2cc(Cl)cc(Cl)c2)c2cc(Cl)ccc21 675082255 ORODBYYLACJZLD-UHFFFAOYSA-N 353.636 4.461 0 40 FIAB CC(C)c1c(C2CC2)[nH]c2cccc(I)c2c1=O 685938597 PVILEBNOLJHXOB-UHFFFAOYSA-N 353.203 4.134 0 40 FIAB Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)CCCc1cccnc1 1128439499 WRPVLMQYPMBNPK-UHFFFAOYSA-N 354.841 4.191 0 40 FIAB CC1CCC(O)(CNc2nc(-c3ccccn3)nc3sccc23)CC1 1163817518 KOABFRQXYGYXMQ-UHFFFAOYSA-N 354.479 4.106 0 40 FIAB CC(C)(C(=O)N1CC[C@@H]2OCCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 1333757604 SHUHQNFJWKZLRC-WBMJQRKESA-N 356.293 4.299 0 40 FIAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccnc4Cl)cc3n2)cc1 803440 IRKKEDANJGFPMF-UHFFFAOYSA-N 363.808 4.030 0 40 FIAB COc1cccc(CSc2nnc(-c3ccc(OC)cc3OC)o2)c1 929457 NRXXQDHMCCPLNH-UHFFFAOYSA-N 358.419 4.055 0 40 FIAB CCCC(=O)Nc1ccc2nc(C)n(Cc3ccccc3Cl)c(=O)c2c1 930652 ATVHGHYIVNLGSV-UHFFFAOYSA-N 369.852 4.145 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2cccc(C)c2C)c1C 2713241 ONAUSBRTDFXMPL-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB C[C@@H]1CN=C(N(Cc2ccc(F)cc2)C(=O)NCc2ccccc2)S1 3114453 ATDSEEFBRZSIAY-CQSZACIVSA-N 357.454 4.029 0 40 FIAB C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)C1 3230797 BOIRPHWCNBBKHF-IAGOWNOFSA-N 360.457 4.294 0 40 FIAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(OC(F)F)cc1 3282385 UALFRYZOJXXVQW-UHFFFAOYSA-N 371.339 4.237 0 40 FIAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 3364995 KHWMUOKROPCAHB-GOSISDBHSA-N 363.244 4.269 0 40 FIAB COc1ccccc1-c1nnc2sc(COc3ccc(Cl)cc3)nn12 4295403 IJJROUKUNBRYSI-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)Cc1c(Cl)cccc1Cl)OCO2 6260416 YSVUJFKEAKDVPS-UHFFFAOYSA-N 366.200 4.106 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c1 6326944 PYQNBTOAURKERG-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COC(=O)c1c(COC(=O)/C=C/c2ccsc2)nc2ccccc2c1C 6606588 QSZUOIHAMWCSRP-BQYQJAHWSA-N 367.426 4.148 0 40 FIAB COc1ccccc1-c1nn(CN2CCC[C@H]3CCCC[C@@H]32)c(=S)n1C 7143078 WNZOLRAMEQYPEJ-WBVHZDCISA-N 372.538 4.239 0 40 FIAB C[C@H]1Cc2cc(-c3csc(-c4ccccc4)n3)ccc2N1S(C)(=O)=O 7273320 UTOLOWLGWTZRKV-ZDUSSCGKSA-N 370.499 4.188 0 40 FIAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Br)s1 7404670 CEAJBGVOOFWMRY-SNVBAGLBSA-N 372.309 4.041 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(OCc2ccccc2)c1 7598678 AGOMUCOIOPZGDH-UHFFFAOYSA-N 361.397 4.289 0 40 FIAB O=C(Nc1ccc(Cl)c2ncsc12)c1cc2ccccc2oc1=O 7598859 MPLVGKHBJKIMOL-UHFFFAOYSA-N 356.790 4.308 0 40 FIAB O=C(OCC(=O)c1ccc[nH]1)/C(=C/c1ccc(F)cc1)c1cccs1 7980559 XOVDUGPDXZOHME-RVDMUPIBSA-N 355.390 4.182 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C 8434174 QNSSRVZDEKBXGL-IAGOWNOFSA-N 374.440 4.011 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)cc1 8496229 PXSZHVWYPDAAQC-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB COc1ccc(CN[C@@H](C)c2ccc3c(c2)CCCC3)c(OC)c1OC 8750677 HWPFSAWYKARLIE-HNNXBMFYSA-N 355.478 4.442 0 40 FIAB Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc4ccccc4o3)n2)cc1 8995134 MSWCELXHFSYHCR-UHFFFAOYSA-N 364.430 4.255 0 40 FIAB Nc1c(C(=O)Nc2ccccc2F)c2ccccn2c1C(=O)c1ccccc1 9316967 OUSWBSVXMRVGHT-UHFFFAOYSA-N 373.387 4.144 0 40 FIAB CSc1ncc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)n1-c1ccccc1 9367201 ODKZDALKIFJDGT-HZPDHXFCSA-N 355.507 4.247 0 40 FIAB C[C@@H](NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccccn1 9885552 UDIWTIQWDRNSCY-OAHLLOKOSA-N 350.393 4.291 0 40 FIAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc2c(c1)OCO2 10120073 GUICYACGFPXRSI-UHFFFAOYSA-N 372.380 4.400 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 10368273 PMCRWEYYEWVYGK-UHFFFAOYSA-N 365.214 4.171 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(C)c1 10447355 DKKJVUNSAXDGDF-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB O=C(COc1ccccc1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10692152 UQYWSHOSLKMPHC-OAQYLSRUSA-N 370.452 4.495 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)o3)n2)c(F)c1 10967221 KNKUYVROUCHVQY-UHFFFAOYSA-N 359.382 4.061 0 40 FIAB CCCn1c(SCC(=O)N[C@@H](C)CC)nnc1-c1ccc(Cl)cc1 11421817 VKHANESMHLOOOK-LBPRGKRZSA-N 366.918 4.015 0 40 FIAB CCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)c2ccccc12 11613826 UGCXHKABOWSYKK-UHFFFAOYSA-N 355.459 4.025 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 11709501 SWYDDYPSNCSNJI-HOTGVXAUSA-N 353.462 4.219 0 40 FIAB Cc1noc(C)c1CSc1nnc(-c2cccnc2)n1-c1ccccc1 12608023 KQNYARVCJULDSU-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB Cc1ccc(-c2nnn(Cc3csc(-c4ccccc4Cl)n3)n2)cc1 12920031 YSNHDTVNCQHTEI-UHFFFAOYSA-N 367.865 4.474 0 40 FIAB O=C1C[C@@H](C(=O)Nc2cccc(C3SCCS3)c2)c2ccccc2N1 14528119 QNVCRIOHQVXQQG-OAHLLOKOSA-N 370.499 4.230 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3nc4ccccc4s3)c12 14815321 YZKANMVXYLALJF-UHFFFAOYSA-N 363.446 4.016 0 40 FIAB Cc1cc(S[C@H](C)C(=O)N2CCCc3ccccc32)nc(C(C)C)n1 16454221 RFWUFHDKJYYFRP-OAHLLOKOSA-N 355.507 4.368 0 40 FIAB Cc1scc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)c1C 19561868 SRBDAIHDLYEPGK-ZDUSSCGKSA-N 373.503 4.496 0 40 FIAB Cc1nc2ccc(Cl)cn2c1CN[C@H](CCN(C)C)c1ccccc1 19715705 AWQUQSWBYHADRD-GOSISDBHSA-N 356.901 4.079 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2cnc(Nc3ccc(F)cc3)nc2C1 19973869 MXPZPZWFXYLXJT-CYBMUJFWSA-N 363.392 4.281 0 40 FIAB OC(CNCc1ccccn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365355 VZDSKXHEDHBMKW-UHFFFAOYSA-N 373.283 4.414 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 20490808 IRQLHEZKUDGEKQ-AEFFLSMTSA-N 371.477 4.355 0 40 FIAB O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2Cl)o1 20746078 ALADPKYKADQVFX-OAHLLOKOSA-N 371.849 4.436 0 40 FIAB CCc1ccc(-c2nc(CC(=O)NCCc3ccccc3F)cs2)cc1 24653487 HOMDVTITNCKBAD-UHFFFAOYSA-N 368.477 4.413 0 40 FIAB O=C(NCc1ccc(Br)s1)c1cccc(C(F)(F)F)c1 25472093 HFMCXKWNTQIOGO-UHFFFAOYSA-N 364.186 4.459 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(C)c(C)n2CC(C)C)cc1 26051501 HIBVSXMMKUFFBT-OAHLLOKOSA-N 373.522 4.478 0 40 FIAB COc1ccc2cc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)c(C)nc2c1 29788864 VPPHUXYDUBLZIO-NSHDSACASA-N 367.474 4.385 0 40 FIAB O=C(CSc1nc2ccccc2n1C(F)F)c1ccc2c(c1)OCO2 31781864 HAWCOWXMQCPJCI-UHFFFAOYSA-N 362.357 4.135 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(c2ccccc2)CC1 32366667 HKHGQARBYKADOB-HSZRJFAPSA-N 374.484 4.357 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1[nH]nc2c1CCCC2 32809866 IBWLPBLOCOMPLX-KRWDZBQOSA-N 355.438 4.009 0 40 FIAB COc1ccc(CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC 32845011 CLJFDUPWYCANOO-CQSZACIVSA-N 357.475 4.164 0 40 FIAB CCCC[C@@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 33657849 YGVYDWADHKYSHH-WKOLOUIMSA-N 358.522 4.443 0 40 FIAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 35146936 KHVICWGWZOQXSX-UHFFFAOYSA-N 356.853 4.147 0 40 FIAB COc1ccc(-c2cc3nc(CN4CCC[C@@H](C)C4)nc(O)c3s2)cc1 36383194 LCBOCXOSLXMFGA-CYBMUJFWSA-N 369.490 4.304 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1 40150018 DHSFGXOXVRMPIC-MRVPVSSYSA-N 365.220 4.046 0 40 FIAB Cc1ccc2c(CC(=O)Nc3nccn3Cc3ccccc3)coc2c1C 40151741 VEHKWUMDRWRXEB-UHFFFAOYSA-N 359.429 4.476 0 40 FIAB O=C(c1ccc2nsnc2c1)N(Cc1ccsc1)Cc1ccco1 42382028 OUWVAUCGIKYZRR-UHFFFAOYSA-N 355.444 4.188 0 40 FIAB CC(C)(C)NC(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 44017271 BLDUOPMYDAGJIW-UHFFFAOYSA-N 365.477 4.068 0 40 FIAB C[C@@H](Nc1ccc(NC(=O)CNC(=O)C2CCCC2)cc1)c1ccccc1 50004853 LUAGKJFRNOECCC-MRXNPFEDSA-N 365.477 4.105 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364552 LKCZYLVFIDOYRY-KRWDZBQOSA-N 362.404 4.293 0 40 FIAB COc1ccccc1-c1nc(COC(=O)c2c(F)ccc(C)c2N)cs1 64184694 HLXUPCDHVOAKAG-UHFFFAOYSA-N 372.421 4.205 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)c1cn[nH]c1-c1cccc(Cl)c1 72328873 GINDJTKESOOUTP-UHFFFAOYSA-N 360.244 4.356 0 40 FIAB COc1ccc(-c2cc(C(=O)O)nc3c2c(C)nn3-c2ccccc2)cc1 72333497 HLSXELDJNMQUEP-UHFFFAOYSA-N 359.385 4.103 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)/C=C/SCc1ccco1 75109299 PBJILYAGOCZATB-ZRDIBKRKSA-N 367.474 4.145 0 40 FIAB CC(C)[C@H]1CCCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 95442918 KUNXTMTVLBYPPV-ROUUACIJSA-N 366.546 4.308 0 40 FIAB O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc(F)c(F)c1 96006638 JKLGTSWRZDOMIY-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB COc1ccc(-n2nc(C)c(Cc3ccc(Br)cc3)c2O)cc1 100139176 TUPOMRPYIJZQHZ-UHFFFAOYSA-N 373.250 4.248 0 40 FIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1 100664043 JHMZBEBSHAZNNI-OYSQMQRMSA-N 371.436 4.345 0 40 FIAB Cc1c(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)oc2ccccc12 102029235 QFOHZUWRXJWYHQ-QRQCRPRQSA-N 369.461 4.325 0 40 FIAB CSc1ccc(/C=C/C(=O)NC[C@H](O)c2cccc3ccccc23)cc1 206701862 HKZIBIJNVAHNND-KVDXNUTJSA-N 363.482 4.425 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(F)c(F)c2)c(Br)c1 218862418 LFXQYVBJTVSWKZ-UHFFFAOYSA-N 370.193 4.307 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccccc1C(C)(C)C 222800507 PPZIVMLPACDGJS-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)cc1C 224644065 YITHRWZRQJGFDY-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(OC(C)C)cc1 225583267 BLRHSACWFSVAON-SFHVURJKSA-N 363.571 4.415 0 40 FIAB COc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)cc1Cl 225635306 ZBUDURTVJMLOTK-CYBMUJFWSA-N 364.898 4.411 0 40 FIAB CCCO[C@]1(C(=O)Nc2ccc(OCCOCC)cc2)CCC[C@H](C)C1 225664737 CNVNCQZYEJJIOG-LAUBAEHRSA-N 363.498 4.416 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2ccc3sncc3c2)cc1 225887331 KAEJDZIYBBNHSZ-UHFFFAOYSA-N 368.443 4.076 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257292817 QNBMSHSBSPKUCB-INIZCTEOSA-N 368.383 4.173 0 40 FIAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1ccc(Br)cc1 306145626 KXQPKEYQTSDNRZ-NSHDSACASA-N 373.130 4.341 0 40 FIAB CC(C)c1ccccc1N(C)S(=O)(=O)c1ccccc1Br 574477201 GJGXXKWPRGZGLG-UHFFFAOYSA-N 368.296 4.398 0 40 FIAB O=C(c1cccc2oc(O)nc12)N1CC2(CCCC2)c2c(F)cccc21 584730065 NQYMFUCDOABYSQ-UHFFFAOYSA-N 352.365 4.145 0 40 FIAB Cc1nc([C@@H]2CCCCN2C(=O)c2cccc3c2ccn3CC(C)C)no1 683621947 PISFBGVQYRUGOU-IBGZPJMESA-N 366.465 4.356 0 40 FIAB O=C(NCCc1c(F)cc(O)cc1F)c1ccccc1-c1ccccc1 1304014689 XNDLCUQXRGELTH-UHFFFAOYSA-N 353.368 4.310 0 40 FIAB Cc1cc2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 902892 ZWJBXITZRQOSGY-UHFFFAOYSA-N 352.415 4.003 0 40 FIAB COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 2297154 XMAFTFIGOJVYSK-UHFFFAOYSA-N 355.825 4.420 0 40 FIAB CCOc1ccc(N2C(=O)S/C(=C\c3ccc(O)c(OC)c3)C2=O)cc1 2402814 XPDLBMFYTFUHOC-BOPFTXTBSA-N 371.414 4.040 0 40 FIAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc2ccccc2c1 2632949 RDLFTDKJHJGVBE-UHFFFAOYSA-N 372.424 4.436 0 40 FIAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)NC[C@H]1CCCO1 2718356 WEWWDDQVCCWQTF-MRXNPFEDSA-N 366.486 4.222 0 40 FIAB CCCCn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721411 VKDKBNNEJBIYQK-UHFFFAOYSA-N 355.869 4.462 0 40 FIAB COc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(C)C 2721541 IBTCQUYTFULXFY-UHFFFAOYSA-N 365.477 4.064 0 40 FIAB O=c1cc(CSc2nc3ccccc3o2)nc2sc3ccccc3n12 3350422 MXQDHNCUJDEPQS-UHFFFAOYSA-N 365.439 4.343 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)OCc2ccccc2F)c1 3470153 IBCMIJCJMKQICF-UHFFFAOYSA-N 355.365 4.367 0 40 FIAB Cc1ccc(NC[C@H](O)Cn2c3c(c4cc(C)ccc42)CCCC3=O)cc1 3628134 QISBRAZOEQPAIX-SFHVURJKSA-N 362.473 4.250 0 40 FIAB Cc1cc(NCCc2ccccc2)c(N=O)c(=O)n1CCc1ccccc1 3849548 OAGGCJQTPCZXEU-UHFFFAOYSA-N 361.445 4.452 0 40 FIAB biogenic Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccc(Cl)cc1Cl 4475991 JBDJZJGNSPRGCZ-UHFFFAOYSA-N 364.228 4.300 0 40 FIAB O=C(CSc1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 4496637 HZSBXOQPQMRBCY-UHFFFAOYSA-N 370.455 4.270 0 40 FIAB Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccsc2)c1 4537810 KIVJMLHPSWVEPP-GZTJUZNOSA-N 352.415 4.059 0 40 FIAB Cc1sc2ncnc(N3CCN(C)CC3)c2c1-c1ccc(Cl)cc1 4748092 NOVNOIHFDMVDNC-UHFFFAOYSA-N 358.898 4.072 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc3ccccc23)n2ncnc2N1 4814192 FIHWODWCXBQOKK-LJQANCHMSA-N 362.433 4.064 0 40 FIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 5080310 AIBWHDYZKNWYQQ-RSFSFSNISA-N 354.490 4.453 0 40 FIAB CCOc1ncccc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 5171483 QDZSJBGZMQCGRP-UHFFFAOYSA-N 373.865 4.433 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3)n2)cc1 5179991 SVWBDRJYRHQKOP-ZDUSSCGKSA-N 352.463 4.153 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 5864739 CCUZBSHQKXVRKY-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1F 6603736 CIGYSXSWKBZYRK-KSSFIOAISA-N 358.413 4.105 0 40 FIAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882469 YMZADOFZFQLJJF-QGZVFWFLSA-N 374.440 4.230 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1OCC 8294683 HFXAQIRVOIFFPG-HNNXBMFYSA-N 366.461 4.385 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 8558370 IQZKUTIPKBMYKC-SFHVURJKSA-N 357.519 4.429 0 40 FIAB Cc1ccnc(NC(=O)[C@H](C)SCc2ccc(Br)cc2)c1 8708060 GILDSKQHKDMVGW-LBPRGKRZSA-N 365.296 4.413 0 40 FIAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)C(C)(C)C)ccc2o1 9659971 LRXFOXRMUUENIF-UHFFFAOYSA-N 351.402 4.453 0 40 FIAB biogenic CN(Cc1ccco1)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 10030385 ZXSAVRFONHCGFR-UHFFFAOYSA-N 363.442 4.466 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10260362 HWJROBFYYKTODL-LBPRGKRZSA-N 356.376 4.253 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2Br)c2cnn(C(C)C)c2n1 10808759 HXQYNYNTMRFSDV-UHFFFAOYSA-N 373.254 4.335 0 40 FIAB Cn1/c(=N\C(=O)c2cc(Cl)sc2Cl)sc2cc(F)ccc21 11847463 BEAWZVQRIXDNRI-GHRIWEEISA-N 361.250 4.488 0 40 FIAB Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1C 11914722 UYJMQCYGRXSDSV-UHFFFAOYSA-N 364.420 4.450 0 40 FIAB Cc1cc(C(F)F)nn1CC(=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 12162291 GTGIEPOLBKQNOI-LPWQTFTOSA-N 373.447 4.218 0 40 FIAB CCc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 12549090 JTRFRGISYLHDPQ-UHFFFAOYSA-N 374.366 4.409 0 40 FIAB CN(C(=O)Nc1ccc(F)cc1)[C@H](c1ccc(Cl)cc1)c1nccn1C 12560361 NWNDEMQVYPZYPY-QGZVFWFLSA-N 372.831 4.466 0 40 FIAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 12567135 CZULXELSONAUEB-LJQANCHMSA-N 365.521 4.444 0 40 FIAB Cc1nc(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)cs1 12780470 BNQOHJDMNZQAIL-UHFFFAOYSA-N 361.854 4.041 0 40 FIAB Cc1ccc(-n2nnnc2SCc2ccccc2OC(F)F)cc1C 14571175 DUPLHSGEPSHQFG-UHFFFAOYSA-N 362.405 4.173 0 40 FIAB COc1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cn1 15302282 PFLIFRQGSOMMBW-UHFFFAOYSA-N 367.019 4.351 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nonc1-c1ccc(C)c(C)c1 15670751 LWRMWUOQNHBHEI-QGZVFWFLSA-N 369.396 4.289 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 15883235 YTNGAERHTMHYKV-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB O=C(Cn1nc(-c2ccncc2)oc1=S)c1ccc(Cl)c(Cl)c1 16768851 AUCCNKXKESQGNY-UHFFFAOYSA-N 366.229 4.457 0 40 FIAB CCOC(=O)c1sc(-c2ccc(C)cc2)cc1NC(=S)NC1CC1 18166297 BNWTTWNCZBLDJH-UHFFFAOYSA-N 360.504 4.349 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)c2cccc(F)c2)c1C 19557885 YTTUUVJVBXWPHL-KRWDZBQOSA-N 368.412 4.188 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1 19932312 BLBNVBMYVLFONA-DHZHZOJOSA-N 351.837 4.164 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1C 20108985 GYCFXBKPMQMNRR-OAHLLOKOSA-N 355.434 4.311 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 20238557 ODJBPWCOHXCUEX-INIZCTEOSA-N 374.937 4.165 0 40 FIAB CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 20858399 HZSKYSWJICNDIS-RBUKOAKNSA-N 370.518 4.211 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(C)c(C)s1 23497216 COFQNUCIQNUCHO-UHFFFAOYSA-N 368.296 4.408 0 40 FIAB Cc1csc2nc(CN[C@H](c3ccccc3)c3cccs3)cc(=O)n12 23995988 OVGYQQUONWXSAW-GOSISDBHSA-N 367.499 4.005 0 40 FIAB O=C(Nc1nc2ccc(F)cc2s1)c1cccnc1SC(F)F 24761624 QBADQODGJRFWQI-UHFFFAOYSA-N 355.366 4.397 0 40 FIAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1c(Cl)cccc1Cl 27974375 GJXDCWJHEQIKGG-SECBINFHSA-N 354.189 4.128 0 40 FIAB CC(C)(C)c1ccc2cc(C(=O)OCc3nc(-c4ccco4)no3)[nH]c2c1 31447085 QNUNWPGBDMJKKC-UHFFFAOYSA-N 365.389 4.465 0 40 FIAB Cc1ccccc1CC(=O)N[C@H](C)c1ccc(OCc2cccnc2)cc1 32677186 QPFRCROEBRJESX-GOSISDBHSA-N 360.457 4.389 0 40 FIAB Clc1cccc(-c2cnc(COn3nnc4ccc(Cl)cc43)o2)c1 32764998 VPIRZVHVRYVOIB-UHFFFAOYSA-N 361.188 4.022 0 40 FIAB CCCCCc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 32900236 BFFXCPHUZAFVMO-UHFFFAOYSA-N 374.506 4.067 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1F 33019705 DIUPMQDGCOPAAU-LBPRGKRZSA-N 353.846 4.155 0 40 FIAB O=C(O[C@H](C(=O)NC1CCCCC1)c1ccccc1)c1ccc(Cl)nc1 35312463 RWHCFZZPUCXMGD-SFHVURJKSA-N 372.852 4.082 0 40 FIAB O=C(CSc1nc2ccccc2s1)N1CCC[C@@H]1c1ccncc1 36393758 VAKOPCMXZMWHQZ-OAHLLOKOSA-N 355.488 4.147 0 40 FIAB Cc1ccccc1NC(=S)NCCOc1cccc2c1OC(C)(C)C2 40073270 UJPIDDANJZFXFQ-UHFFFAOYSA-N 356.491 4.074 0 40 FIAB O=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/c3ccc(Cl)cc3)c12 40388475 DPYLOWJDTAIEQF-QPJJXVBHSA-N 366.852 4.132 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)NCCOc2ccc(Cl)cc2)cc1 41157535 WRECMZSTFKDSAB-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB O=C(c1ccccc1NC(=O)N1CCC[C@H]1c1cccs1)N1CCCC1 43797657 UXTQQFICNYKONG-KRWDZBQOSA-N 369.490 4.353 0 40 FIAB COc1cccc2ccn(CCC(=O)N[C@H](C)CCc3ccccc3)c12 44920520 JJYBKCGPJQMENC-QGZVFWFLSA-N 350.462 4.178 0 40 FIAB COC(=O)c1ccc(N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)nn1 48229658 PZICXSDVSZLDKN-ZDUSSCGKSA-N 367.380 4.368 0 40 FIAB O=C(CC[S@@](=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1 58098649 RZALJEMYRVMCQH-VWLOTQADSA-N 373.371 4.122 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1Nc1cccc(F)c1)N1CCCC1 64471794 AMJMDRQBMSPIHC-UHFFFAOYSA-N 353.372 4.493 0 40 FIAB Cc1cc(SCC(=O)Nc2ccccc2F)nc(-c2cccc(F)c2)n1 67257361 CFUKKEBHRJTQGV-UHFFFAOYSA-N 371.412 4.461 0 40 FIAB Cc1c(NC(=O)N[C@@H](C)c2ccncc2)cccc1OCC(F)(F)F 69688423 HRNMDDLOSKSUPD-LBPRGKRZSA-N 353.344 4.214 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2-c2ccccc2C1 72078304 RJLYNLBKJAQANK-OAHLLOKOSA-N 366.461 4.109 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc3ccccc3c2)cc1 72219604 GMXOZFUGMUQEQW-NRFANRHFSA-N 366.486 4.459 0 40 FIAB Cc1cc(N2CCC[C@@H]2c2nc3ccccc3n2C)nc(-c2cccnc2)n1 75109640 JLKBIJWWVTXJQF-LJQANCHMSA-N 370.460 4.075 0 40 FIAB CO[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 78877235 AVMWLWZOBKQSDM-MRXNPFEDSA-N 371.786 4.405 0 40 FIAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C1(C)C 84213310 XWQAUUUIXIFMIN-LPHOPBHVSA-N 354.494 4.408 0 40 FIAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C[C@@H]2CCCC2=O)cc1 95478259 IYEGJWLPZNFHGJ-YOEHRIQHSA-N 365.429 4.069 0 40 FIAB CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 96309273 KAGFUPHJTPNZSD-KBHCHJSJSA-N 354.450 4.203 0 40 FIAB CSc1ccsc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 97001591 AZDRBQKORQGFRJ-UHFFFAOYSA-N 355.488 4.397 0 40 FIAB C[C@@H]1C(=O)Nc2ccc(-c3csc(NC(=O)[C@H]4CC=CCC4)n3)cc21 101469354 XVHOPZDLXDGZNC-RYUDHWBXSA-N 353.447 4.161 0 40 FIAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 214354806 AHWCKLBDSZPHET-LICLKQGHSA-N 373.405 4.079 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1)CCCC2 222715606 HRRSUHARJWFVAG-UHFFFAOYSA-N 351.855 4.028 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223616191 YWMYVKLHEBPYJI-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc(C)c1C 223945173 JIUHGAMORUUJEY-SFHVURJKSA-N 361.869 4.309 0 40 FIAB O=C(NCc1cccnc1-c1ccco1)c1cccc(OC(F)(F)F)c1 225661909 RNKTUYSLTQDFJG-UHFFFAOYSA-N 362.307 4.170 0 40 FIAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)c1 226267504 WGQMCWJTVGYRDF-UHFFFAOYSA-N 353.466 4.300 0 40 FIAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc2sc(NN)nc12 226309285 NTDOFCJXRGDRIB-UHFFFAOYSA-N 354.479 4.440 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)S1 260755923 CGWOACRLYMMXIH-UIAACRFSSA-N 360.486 4.462 0 40 FIAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 408721611 JYCMNMJDCTZAGT-UHFFFAOYSA-N 372.465 4.474 0 40 FIAB Cc1cccc(NC(=O)Cn2nc(COc3ccccc3C)oc2=S)c1 409165615 AFCWEBFFKXREHB-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCCc2cc(F)c(F)cc21 502824618 DRMCSEGKQOVIDP-KRWDZBQOSA-N 357.400 4.452 0 40 FIAB CCc1nc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cs1 579562634 BWXBTKSAJOTNIX-MRXNPFEDSA-N 369.494 4.019 0 40 FIAB O[C@@H]1[C@@H](NCc2ccccc2Cl)CCC[C@H]1Oc1ccc(Cl)cc1 585288436 AINSRMMTNGQOFO-IPMKNSEASA-N 366.288 4.444 0 40 FIAB C[C@H](c1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1cnn(C(C)(C)C)c1 663249115 DPAGZOVNFRYKBX-GFCCVEGCSA-N 374.428 4.333 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cccc(I)c2)c1 670280 KGVMWYHEROJLKO-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 887484 RNHKTEHEPDNBEV-BXKDBHETSA-N 355.809 4.216 0 40 FIAB COc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 888532 UIXXPBIGFNUOEG-UHFFFAOYSA-N 359.476 4.048 0 40 FIAB CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc2ccccc12 992784 JKLSBDTXFBNFNN-UHFFFAOYSA-N 361.397 4.228 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccccc4F)c(=O)c23)C1 1321110 JWVYZFBTRKAUPH-ZDUSSCGKSA-N 371.481 4.191 0 40 FIAB COc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(C)cc2)CC1 1336861 QWQRALVQAOTCKI-UHFFFAOYSA-N 368.502 4.295 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(N)=O)C1 1934915 XEWVGKWVBHBYRI-NKLKJHRZSA-N 374.893 4.277 0 40 FIAB Cc1cccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c1 2083577 BBFAPKNIXFDHNO-UHFFFAOYSA-N 370.456 4.227 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1 3134447 KIIBDEDJTKUEHG-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB CC(C)(C)C1CCC(C(=O)OCC(=O)NCc2ccc(Cl)cc2)CC1 3311144 FWHYVIXJXDZLFN-UHFFFAOYSA-N 365.901 4.352 0 40 FIAB CCCSc1nnc(NC(=O)c2ccccc2Br)s1 4086594 PAMSRGLMKSJVLR-UHFFFAOYSA-N 358.286 4.055 0 40 FIAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 4385252 AADLEJXDQFNUIT-GOSISDBHSA-N 358.441 4.448 0 40 FIAB CCOc1ccccc1NC(=S)NC(=O)Cc1cccc2ccccc12 4621844 SQVKGQBBBXOBPP-UHFFFAOYSA-N 364.470 4.294 0 40 FIAB O=C(NC1CCN(c2nc(-c3ccccc3)cs2)CC1)c1cccs1 5002096 HZQDXZKSENOQFA-UHFFFAOYSA-N 369.515 4.270 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3C)o2)cc1 5032976 MBUZQBCVMNACPD-UHFFFAOYSA-N 364.401 4.378 0 40 FIAB CNC(=O)O[C@@H]1CCC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 5082898 MTSKCWQNZUQOHN-LEWJYISDSA-N 352.478 4.356 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)c3ccccc3Br)ccc21 5099235 DTSFCCSARSGLDE-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB C[C@@H]1CCc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c(C(N)=O)c2C1 5192743 FASQYVHYZDCWAU-TWSLPJAOSA-N 372.534 4.127 0 40 FIAB C[C@@H](Sc1nccn1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5358381 QRTVNROVYFQOOZ-MRVPVSSYSA-N 363.792 4.212 0 40 FIAB O=C(Nc1ccc(N2CCCCC2=O)cc1)c1ccc(C(F)(F)F)cc1 5441288 UDKQTSYCNIIAHQ-UHFFFAOYSA-N 362.351 4.475 0 40 FIAB CCCn1c(NC(=O)CCc2ccc(OC)c(OC)c2)nc2ccccc21 6610613 TUOGXJQNGCBQAJ-UHFFFAOYSA-N 367.449 4.035 0 40 FIAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NCc3ccco3)sc2n1 6780458 AXUZTUOJQCUKCY-UHFFFAOYSA-N 351.431 4.227 0 40 FIAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)c(F)c1 6843792 UNYKFOQQQVERSO-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)cc1 6887335 ZKGDEPQLMUYRCF-UHFFFAOYSA-N 370.503 4.189 0 40 FIAB COC(=O)c1cc(COc2ccc(C(=O)c3ccccc3)cc2)oc1C 7263806 SLXDLTWOGQKCKT-UHFFFAOYSA-N 350.370 4.185 0 40 FIAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)cc2)c1 7795681 PMISEMRDLOAFHC-RUDMXATFSA-N 370.257 4.049 0 40 FIAB CCOc1cc(CNCCc2ccc(OC)cc2)cc(Cl)c1OCC 8253893 PPEGDIVCMWUIRE-UHFFFAOYSA-N 363.885 4.478 0 40 FIAB Cc1sc2nc([C@@H](C)Sc3ncnc4ccsc34)[nH]c(=O)c2c1C 8981746 NEELXOOCZQMUGT-SECBINFHSA-N 374.516 4.459 0 40 FIAB COc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1 9058005 DNCAFMLWIDPCHY-UHFFFAOYSA-N 352.415 4.261 0 40 FIAB COc1ccc2c(CC(=O)N[C@H](c3ccccc3)c3ccncc3)coc2c1 9156182 GQZALWYNAFRDTG-HSZRJFAPSA-N 372.424 4.285 0 40 FIAB O=c1c(Cl)c(Cl)cnn1Cc1csc(-c2ccc(Cl)cc2)n1 9499770 FPGLXBQDNSMPRN-UHFFFAOYSA-N 372.664 4.375 0 40 FIAB Cc1ccc(CNC(=O)CN(C)Cc2ccc3ccccc3c2)cc1F 10128577 OPMCMROIAZORSL-UHFFFAOYSA-N 350.437 4.036 0 40 FIAB Fc1ccccc1-n1cnnc1SCc1cc(-c2ccccc2)on1 12533269 IYCCAEYURDVSEH-UHFFFAOYSA-N 352.394 4.354 0 40 FIAB O=C(Cc1cccc(F)c1)Nc1c(-c2ccccc2)nc2sccn12 12604501 DWPNQGSMFCLSHB-UHFFFAOYSA-N 351.406 4.383 0 40 FIAB COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)cc(Cl)c1OC 12764261 IFTCXCQLBHXTJY-UHFFFAOYSA-N 366.870 4.335 0 40 FIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)Nc1ccc(F)cc1 12973541 XWGHQFDZTZIJDB-GOSISDBHSA-N 361.848 4.438 0 40 FIAB CCn1nccc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 13698813 MIJZOGLSIXLGJU-UHFFFAOYSA-N 364.430 4.138 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)ccc1Cl 13710740 HJFWXIBRTBPOND-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(=O)c1ccccc1 15349931 QZXCMFUUEJOUMO-QGZVFWFLSA-N 370.452 4.307 0 40 FIAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 15372991 PWHATNUHBOTBBW-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1Cl 16312714 GOGJBAUXRAILEB-LRDDRELGSA-N 374.790 4.291 0 40 FIAB CCC(=O)N1CCCc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 17248042 AFGVFNDBYLDELN-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB Cc1ccsc1CN(Cc1cccc(Oc2ncccn2)c1)C[C@@H](C)O 19238593 GDRAHUQFNOFUEK-MRXNPFEDSA-N 369.490 4.022 0 40 FIAB Cc1nc2ccccc2n1CCCC(=O)N1CCc2cc(Cl)ccc21 19665173 BICFYSNARBSKLO-UHFFFAOYSA-N 353.853 4.368 0 40 FIAB Cc1ccc(Cn2c(=N)n(CC(=O)c3ccccc3)c3ccccc32)cc1 19832397 TYYNFOWWQJZOBF-UHFFFAOYSA-N 355.441 4.162 0 40 FIAB COc1ccc(CN(C)C(=O)CSCc2cc(C)cc(C)c2)cc1OC 20106248 JWLYEDQJKKCIRE-UHFFFAOYSA-N 373.518 4.212 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 22131931 XCXFZSQMDIYEOI-KRWDZBQOSA-N 357.837 4.479 0 40 FIAB COc1cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)ccc1C 22295705 BFJYYPJIGYJWMX-KBPBESRZSA-N 373.522 4.190 0 40 FIAB O[C@H](c1ccccc1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 22760519 KKLWEKBHSZZHQE-HXUWFJFHSA-N 359.429 4.326 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140258 LGCXLPUCJWNDNC-CYBMUJFWSA-N 373.865 4.471 0 40 FIAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1c(F)cccc1F 24931278 FUHBLOTYKKEXIB-GOSISDBHSA-N 367.399 4.017 0 40 FIAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1 25063512 RCQSJWFAKCOAJU-AWEZNQCLSA-N 374.554 4.270 0 40 FIAB Cc1ccc(C)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)c1 26771249 PLHSGXWFMTWGLG-JOCHJYFZSA-N 358.441 4.354 0 40 FIAB Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 27793103 PAOGETRXILQXDJ-FQEVSTJZSA-N 356.897 4.144 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCC2)o1 27984126 OAJDZPLNXINIAV-UHFFFAOYSA-N 367.218 4.029 0 40 FIAB Cc1cc2nc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)[nH]c2cc1C 30953073 TVSSDTDBGBGJQJ-UHFFFAOYSA-N 369.534 4.357 0 40 FIAB C[C@H](SC[C@@H]1CCCO1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 32778805 NYSXFWVBPPKYFJ-QWRGUYRKSA-N 362.476 4.218 0 40 FIAB COc1ccc2nc(NC(=O)CCn3ccc4ccccc43)sc2c1 40020014 BHJRMEVAUZZQLA-UHFFFAOYSA-N 351.431 4.288 0 40 FIAB Cc1sc2ncnc(SCCC(=O)NCc3cccs3)c2c1C 40266218 BCMSYUPOJHFGCH-UHFFFAOYSA-N 363.533 4.168 0 40 FIAB CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(Br)cc1 40446600 BBNHGHWEZAEAFP-UHFFFAOYSA-N 370.268 4.037 0 40 FIAB Cc1cccc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)c1C 46012491 UEOHDRIBRHEZDT-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB O=C(CCOc1ccccc1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 47345550 FFMPJICYURQBRW-UHFFFAOYSA-N 364.420 4.392 0 40 FIAB COCCn1c(SCC(=O)c2cc(C)n(C(C)C)c2C)nc(C)c1C 48375358 PHNZTDAVYIWNOK-UHFFFAOYSA-N 363.527 4.121 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(O)c(Cl)c2)c1 52842815 XJNHGWGXWXPJSW-MRXNPFEDSA-N 361.825 4.040 0 40 FIAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccccc2Cl)CC1 57452419 AQIUILOXPXQORB-ZDUSSCGKSA-N 374.897 4.335 0 40 FIAB COc1nc2cc(C)ccc2cc1CN(Cc1sccc1C)C[C@@H](C)O 57810260 PIOMBKORSABMEY-MRXNPFEDSA-N 370.518 4.305 0 40 FIAB O=C(Cc1csc(-c2cccnc2)n1)N[C@@H]1CCc2cc(Cl)ccc21 58208707 WZORLWOKFVYGRD-QGZVFWFLSA-N 369.877 4.205 0 40 FIAB CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](CO)c1cccc(F)c1 58357145 XBUCBQZUBPOCGL-HNNXBMFYSA-N 356.319 4.042 0 40 FIAB COc1ccc(-c2nnc(Cc3nc(-c4cccc(Cl)c4)no3)o2)cc1 65185387 WGLCFSCJECZIAB-UHFFFAOYSA-N 368.780 4.039 0 40 FIAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCc1ccco1 71279456 DJLQLQSTUNCRDF-OAHLLOKOSA-N 368.260 4.415 0 40 FIAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227542 UFEYVZRYSCCQAN-UONOGXRCSA-N 374.284 4.139 0 40 FIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1ccccn1 95479095 QSLMEOXULJQKKP-KRWDZBQOSA-N 353.853 4.027 0 40 FIAB COc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 100424976 SCAGAINRVULABU-SFTDATJTSA-N 364.489 4.011 0 40 FIAB Cc1ccc(N2C(=O)/C(=C/Nc3ccccn3)c3ccccc3C2=O)cc1 101275702 RYNISDAOLULULX-XMHGGMMESA-N 355.397 4.030 0 40 FIAB Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1C 102301560 XDGOWFKTDWVCOZ-OALUTQOASA-N 374.440 4.011 0 40 FIAB O=C(COc1ccnc2c1CCCC2)NC(c1ccccc1)c1ccccc1 207012113 BPNPVHLGVUWLJZ-UHFFFAOYSA-N 372.468 4.245 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccccc1C)CC(C)(C)O2 219289354 IJGHJLJWMHFFIG-FUHWJXTLSA-N 353.462 4.489 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219502731 AEHZNTXUMPFLSU-RDJZCZTQSA-N 369.461 4.190 0 40 FIAB CC(C)Oc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580439 SSLODWHSBGZBEB-KYNGSXCRSA-N 353.491 4.458 0 40 FIAB Cc1ccc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 222808415 PUMLVEPRMGFSFT-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 222963031 LBRKQCJZCAWJKG-AWEZNQCLSA-N 367.474 4.482 0 40 FIAB Cc1cccc(C)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 224330410 NBGMWWZYVQTVFC-RGEXLXHISA-N 360.413 4.306 0 40 FIAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225622619 YBISHAYBQRPIMI-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB Fc1ccccc1-c1noc(-c2cncnc2N2CCc3ccccc32)n1 245015211 LRJIGHWNSJIIKM-UHFFFAOYSA-N 359.364 4.027 0 40 FIAB c1coc(CN2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)c1 306128541 HDDLVMDHMMUDTP-INIZCTEOSA-N 364.474 4.430 0 40 FIAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1 408637788 ABVRVLAMGSXBNA-SFHVURJKSA-N 358.441 4.448 0 40 FIAB COc1cccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)c1 408800495 MZYPQJVPRCGFTE-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB C[C@H]1c2ccccc2CCN1C(=O)c1csc(Nc2ccccn2)n1 530647247 FETYXAIXPQPBKM-ZDUSSCGKSA-N 350.447 4.041 0 40 FIAB CC(C)c1csc([C@@H]2CCCN([C@@H](C(=O)O)c3ccc(F)cc3)C2)n1 565485387 CWGROWMDRNPMTH-RHSMWYFYSA-N 362.470 4.411 0 40 FIAB CC(F)(F)c1ccccc1NC(=O)N1CCC2(C1)Oc1ccccc1O2 585140691 GJTWSYAJBYEPPV-UHFFFAOYSA-N 360.360 4.204 0 40 FIAB CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 585145933 HZUPBUBHNXSQLK-OAHLLOKOSA-N 359.420 4.175 0 40 FIAB COc1cnccc1[C@H](C)NC(=O)N1CCC[C@H]1c1c(C)cccc1C 661053024 ZSEOHCGPQIWMHF-WMZOPIPTSA-N 353.466 4.315 0 40 FIAB OC[C@@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCc2c1[nH]c1ccccc21 675748015 YSYYMXQAOXHKJH-OPAMFIHVSA-N 359.473 4.220 0 40 FIAB O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCCO[C@@H](c2ccccc2)C1 679469556 PWWGMKBJLFBSLT-FCHUYYIVSA-N 365.473 4.184 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)co1 682822154 MMKQACXPMWVTHF-SFHVURJKSA-N 353.397 4.485 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)n1 1615122811 RUQRSHJMWFSTGN-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccc(Br)cc1 947945 BNHQVDVFXVGSKA-UHFFFAOYSA-N 361.195 4.351 0 40 FIAB O=C(O[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1)c1cccs1 1381249 FWUZOUUISKKGME-SFHVURJKSA-N 369.417 4.102 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2C)cc1 1892713 UEPRPVDBKWPIMO-UHFFFAOYSA-N 356.491 4.176 0 40 FIAB CCc1ccc(O[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 2072710 YMVIAZZYQKTQEA-CQSZACIVSA-N 352.689 4.486 0 40 FIAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2368487 RJTNCDOUERVZFM-GAJHUEQPSA-N 353.786 4.037 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)c1 2723142 XKRAJTKUKCOWEC-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB COc1cc(NC(=O)Cc2c(F)cccc2Cl)c(OC)cc1Cl 3339486 MRKACNFBOFWXQK-UHFFFAOYSA-N 358.196 4.331 0 40 FIAB Cc1cccc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O 3647810 PESHQZFOQZCWKC-UHFFFAOYSA-N 351.446 4.291 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)cc1 4163539 MMKOILUKSWELQU-KBXCAEBGSA-N 368.399 4.237 0 40 FIAB COc1ccccc1/C=C(\NC(=O)c1ccccc1)c1nc2ccccc2[nH]1 5400721 BWMXBPDFIMVACS-HKWRFOASSA-N 369.424 4.500 0 40 FIAB COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c2ccccc12 5513397 GGLPLZILUCNVFY-FPOVZHCZSA-N 372.424 4.018 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)c2c(O)c3ccccc3oc2=O)c1 5578503 QXXBLYPYEPFKFS-UHFFFAOYSA-N 352.386 4.192 0 40 FIAB Cc1c(C(=O)O[C@@H]2CCCCC2=O)oc2ccc(Br)cc12 6085374 NAKSEFQWEOPJJJ-CQSZACIVSA-N 351.196 4.172 0 40 FIAB CC(C)Cn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccccc1 6327403 PCAOJMWLSIHMCM-UHFFFAOYSA-N 372.538 4.096 0 40 FIAB Cc1nnc(S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)O)[nH]1 6455878 QEGOELREGXFTCT-LCYFTJDESA-N 359.432 4.075 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccccc2OC(F)F)N1CC(F)(F)F 7113247 GQYBAWIKHGYDMJ-CQSZACIVSA-N 372.293 4.417 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 7218181 VWEFCFQVCKQLOD-UHFFFAOYSA-N 372.273 4.017 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(-c2ccccc2)[nH]n1 7775661 JRPIEMAMSYRIQW-UHFFFAOYSA-N 359.351 4.368 0 40 FIAB Cc1noc(C)c1CSc1nc2sccc2c(=O)n1-c1ccccc1 7783469 QZSFGMPANZAIHU-UHFFFAOYSA-N 369.471 4.344 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)c(C)c1 7928053 VKSWYHNLHKZUBK-GOSISDBHSA-N 358.441 4.448 0 40 FIAB CCOc1c(Br)cc(Br)cc1CNCC(C)C 8253305 DXVKCJUHDPTSEE-UHFFFAOYSA-N 365.109 4.356 0 40 FIAB CC(C)c1cc(C(=O)NCc2ccc(F)cc2)c2cnn(C(C)C)c2n1 8330120 VXBZGRLXNONOOK-UHFFFAOYSA-N 354.429 4.205 0 40 FIAB Cc1ccc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1F 8777653 SSKSXQKMUWUJGV-UHFFFAOYSA-N 351.360 4.014 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)c1cccc(F)c1 9038433 PALXLRUUOHOGAK-UHFFFAOYSA-N 374.415 4.277 0 40 FIAB O=C(Nc1nnc(CCCOc2ccccc2)s1)c1ccccc1Cl 9227158 IERHHGLIZYFFNA-UHFFFAOYSA-N 373.865 4.455 0 40 FIAB Cc1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(F)c4)C3)n2)cc1 9318712 HXYSFHZEFOCKIU-HNNXBMFYSA-N 351.381 4.013 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 9827694 ZRPPFXLQJYZBSB-UHFFFAOYSA-N 352.478 4.141 0 40 FIAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCc2ccccc21 9915560 ZJNMCCQRQKQXRW-UHFFFAOYSA-N 369.424 4.116 0 40 FIAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cccnc1 10127789 GVPBQXNUTDQWES-UHFFFAOYSA-N 353.381 4.425 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)NCCCc1ccccc1Cl 10543239 GVJOAUHNANFNHN-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(C)c(F)c1 11694366 RUNUANQVPXKQIM-UHFFFAOYSA-N 357.360 4.110 0 40 FIAB Cc1ccc(C[C@H]2SC(=O)[C@@H](Cc3ccc(C)cc3)SC2=O)cc1 12274146 GJHSVDMBPUEPNR-QZTJIDSGSA-N 356.512 4.359 0 40 FIAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1ccc2ccc(F)cc21 12321268 VRZJUQNNHLBIQS-HNNXBMFYSA-N 363.436 4.399 0 40 FIAB COc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCCC1 12558340 PZKHGQSASXPIPE-UHFFFAOYSA-N 373.884 4.390 0 40 FIAB Cc1ccc(-c2cnc(S[C@@H]3CCOC3=O)n2-c2ccccc2F)cc1 12604152 KDCRKUBXIOSJPA-GOSISDBHSA-N 368.433 4.394 0 40 FIAB COc1ccc(-c2cc(CNC(=O)c3ccc(OC(C)C)cc3)no2)cc1 12637745 UDKUOLHGGGYROF-UHFFFAOYSA-N 366.417 4.067 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1ccc(C)cc1C)O[C@H](C)C2 12875904 KXHWAMTZQHPUQF-OAHLLOKOSA-N 355.434 4.043 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccc(Cl)cc1 12879579 CYQJPWCXRXRHMX-UHFFFAOYSA-N 354.841 4.464 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2Br)s1)C1CCC1 12917766 SYBGSANWSIOPBP-UHFFFAOYSA-N 351.269 4.235 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2N2CCCC2=O)o1 16261651 HRNBHVDYNLVUQF-ASVHUPRUSA-N 350.418 4.182 0 40 FIAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 16865794 NGNQFOYCXJSQQA-LURJTMIESA-N 367.805 4.330 0 40 FIAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@@H](C)n2ccnc2C(C)C)C1 19237324 QDXXLWVVLPCAFZ-RTBURBONSA-N 369.509 4.194 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)c2ccccc2)c1C 19557892 YGYDLENRPIJYHE-QGZVFWFLSA-N 350.422 4.049 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCc1cccc(OC)c1 20041357 DYNHRSPJXMFRBZ-SFHVURJKSA-N 361.869 4.255 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)c2cccc(OCn3cc(Cl)cn3)c2)[C@@H]1C 20606041 GBTJPCJCYMIAES-PMUMKWKESA-N 361.873 4.128 0 40 FIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cccc(Cn2ccnc2)c1 25182241 UFNSYHBDAMFMCU-UHFFFAOYSA-N 362.408 4.041 0 40 FIAB CC[C@H](O)Nc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 28406127 UQJOKYWERRSEMM-SFHVURJKSA-N 374.448 4.008 0 40 FIAB O=C(Nc1ccccc1O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 29441128 LGAIZLHJULEWMS-HXUWFJFHSA-N 357.413 4.338 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 29509353 BUNGUFKPLYLSQJ-CYBMUJFWSA-N 358.360 4.043 0 40 FIAB COc1ncccc1CNC(=O)Cc1coc2cc(C)c(C(C)C)cc12 31318674 LUHLWDMDUFRBKC-UHFFFAOYSA-N 352.434 4.127 0 40 FIAB COc1ccc(NC(=O)c2cc(F)ccc2F)cc1OCc1cccnc1 31410078 CWAOHOWRLZKMOB-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC[C@@H](c1cccs1)N(C)C 33026541 STWWCCUZLUPTTK-DOMZBBRYSA-N 368.955 4.301 0 40 FIAB O=C([C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCCCC1 38832693 POFDSRRVVUOTFI-AWEZNQCLSA-N 355.309 4.218 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccc4ccccc4n3)o2)cc1 40012887 UDDYBBILZRPTNO-UHFFFAOYSA-N 358.401 4.165 0 40 FIAB COc1ccccc1CCNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 40067799 VIIBEJQSBQDOKA-OAHLLOKOSA-N 352.434 4.387 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCC(C)CC3)c12 40128649 XVCFXMVNZCZIMQ-UHFFFAOYSA-N 354.498 4.244 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nnc(-c3sc(C)nc3C)o2)cc1 41097828 BJYORYVUJOBUNL-UHFFFAOYSA-N 372.450 4.241 0 40 FIAB COc1cccc(CN(CCCn2ccnc2)Cc2ccccc2F)c1 43277826 LPLKKSCDWXIDIA-UHFFFAOYSA-N 353.441 4.123 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1cccc(C)c1C 44883359 SMWRSRGFXSAXFI-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cn1cnnc1Sc1ccc(NC(=O)Cc2cccc3ccccc23)cc1 54730728 JOFXQCNMTRRABM-UHFFFAOYSA-N 374.469 4.301 0 40 FIAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N(C1CCCC1)C1CCCC1 57793062 XTXHXBBBNHQTQH-GOSISDBHSA-N 358.507 4.203 0 40 FIAB O=c1oc2ccccc2n1CCCN1CCC[C@@H]1c1ccccc1Cl 58179753 DVXPSEJKBORILN-QGZVFWFLSA-N 356.853 4.475 0 40 FIAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCO[C@@H](c2ccc(F)cc2)C1 58576508 BQSXSAUMFVHXPS-KBXCAEBGSA-N 353.397 4.010 0 40 FIAB Cc1ccccc1S[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 60430423 XREDMCNWTXEQDP-SFHVURJKSA-N 357.450 4.448 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(F)cc3F)o2)cc1 63888827 CHHSJLVVUWJIMT-UHFFFAOYSA-N 358.344 4.200 0 40 FIAB Nc1cc(Cl)c(NC(=O)c2ccccc2Cl)cc1N1CCCC1 72229201 MRLPYTWTEHCJEO-UHFFFAOYSA-N 350.249 4.428 0 40 FIAB CN(Cc1cc(Br)ccc1F)C(=O)C=C(C1CC1)C1CC1 77599523 LITZYQBCCJOLRS-UHFFFAOYSA-N 352.247 4.293 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)[C@H](C)CSc1ccc(F)cc1 79068963 WTYHWSHTPBCNTC-CQSZACIVSA-N 371.481 4.028 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F 89518706 KCOGXKFFDUKDBC-LBPRGKRZSA-N 354.397 4.470 0 40 FIAB Cc1nc(-c2cccc(C(=O)OCC3CCC4(CC3)OCCO4)c2)cs1 95942837 YYTLAMJMWGEKBX-UHFFFAOYSA-N 373.474 4.209 0 40 FIAB Cc1cccc(C(=O)N[C@H]2CCCSC2)c1NC(=O)c1ccccc1F 95963617 WNOLHSVFACAWFZ-AWEZNQCLSA-N 372.465 4.012 0 40 FIAB CO[C@@](C)(CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1F 96123554 GZJVWAGIALRBMB-YPNIWSFNSA-N 359.466 4.239 0 40 FIAB Cc1sc(Cl)nc1C(=O)NCCc1nc(-c2ccccc2)cs1 96231040 DTMQEMLXWRTCLE-UHFFFAOYSA-N 363.895 4.201 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 206713265 ORLCPXRFYJDLGA-MRXNPFEDSA-N 371.786 4.141 0 40 FIAB C[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 216338549 VYNXFWPHPHYIEX-SNVBAGLBSA-N 362.253 4.313 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c(C)c1 224169030 NNUJLEFMCQWENH-INIZCTEOSA-N 361.869 4.228 0 40 FIAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224219068 MOIYODSWXWOKLV-PMACEKPBSA-N 362.502 4.389 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccccc1Cl 224450997 YIIVOIDTEYMEMI-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CCOc1cccc(N(CC)S(=O)(=O)c2ccc3ccccc3c2)c1 225064803 PFJKENAKEDMBJM-UHFFFAOYSA-N 355.459 4.454 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(OC)c(C)c2)cc1OCC 225856386 DHHYERLCUFAILM-MRXNPFEDSA-N 371.477 4.221 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 242861408 GFMYVRZRIMKBMD-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccnc(CN2CCCC2)c1 257259037 KWOLHYKVHAMMBI-GOSISDBHSA-N 355.507 4.025 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC)c(C)c3)N21 260762833 HNAMTAANIYPADF-MNEFBYGVSA-N 353.491 4.378 0 40 FIAB Cn1ncc(Br)c1-c1nc(C(C)(C)C2=CCCCC2)no1 333879950 WDNAKHDONNBFOG-UHFFFAOYSA-N 351.248 4.011 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)N3CCCC4(CCCCC4)C3)cn2)n1 523614059 ZLNODVISNKCEIW-UHFFFAOYSA-N 367.497 4.462 0 40 FIAB CCn1c(CN2CC[C@H](c3ccccc3C)C2)nc2cc(C(=O)O)ccc21 572609639 WZVNQBFHLSYINN-KRWDZBQOSA-N 363.461 4.052 0 40 FIAB COc1cc(C(=O)Nc2cc3cc[nH]c3cn2)ccc1OC1CCCC1 653956154 KQDYDLXCESVFIX-UHFFFAOYSA-N 351.406 4.145 0 40 FIAB N[C@@H]1C[C@H]2C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@H]2C1 1535640730 XSFCIYTUDZJMFK-ZYGGUILKSA-N 362.473 4.041 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3cc4c(nn3)CCCC4)c2)cs1 1888913089 GQFUZJKBFOAITH-UHFFFAOYSA-N 350.447 4.040 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)C2CC(F)(F)C2)CN1c1cccc(F)c1 2037988685 DKMTZJUUCFPRKV-LJQANCHMSA-N 366.427 4.221 0 40 FIAB CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 644983 RRUBTBFQYLNXHO-MRXNPFEDSA-N 369.273 4.104 0 40 FIAB CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c1 687372 NZYBLJNAVGDMJA-UHFFFAOYSA-N 357.460 4.189 0 40 FIAB O=C(/C=C/c1cccs1)NC(=S)Nc1ccccc1Br 863621 AUENHHFIYNIGOS-BQYQJAHWSA-N 367.293 4.037 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)Nc4ccc(F)cc4)sc3nc2c1 872633 PMQPXESVLBCKKI-UHFFFAOYSA-N 367.405 4.432 0 40 FIAB COc1ccc(NC(=O)c2ccccc2Cl)c(NC(=O)c2ccco2)c1 1223621 DIHOXFIZKARWOZ-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB O=C(CSc1ncc(-c2ccc(Cl)cc2)[nH]1)N1CCc2ccccc21 1355673 CSSNMGBLHPIVDY-UHFFFAOYSA-N 369.877 4.412 0 40 FIAB COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)cc1 1513257 BERHJDJZGHMAFN-MRXNPFEDSA-N 364.264 4.236 0 40 FIAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc2c(c1)OCO2 1516104 IZLLLCFLXOOOSN-WLRTZDKTSA-N 362.168 4.067 0 40 FIAB CC1(C)C[C@H](C(=O)NCC[C@H](Cc2ccccc2)c2ccco2)CCO1 2094156 DPJASJFVYICKJL-RTBURBONSA-N 355.478 4.317 0 40 FIAB biogenic Oc1ccc(-c2nn3c(-c4ccc(O)cc4)nnc3c3ccccc23)cc1 2209638 LUELVLZTWBCJRT-UHFFFAOYSA-N 354.369 4.023 0 40 FIAB Fc1cccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 2422015 DNGSCZQEFSBFDI-UHFFFAOYSA-N 366.421 4.413 0 40 FIAB Oc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2ccccc12 3309550 IVIHQSUKOXQJBH-UHFFFAOYSA-N 370.821 4.331 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2)cc1 3453141 IQEUXHOQNTVBJW-CQSZACIVSA-N 353.447 4.030 0 40 FIAB O=c1ccc(/C=C/c2ccccc2)nn1Cc1cccc(C(F)(F)F)c1 4060028 NHGHKIONPSKYMD-MDZDMXLPSA-N 356.347 4.481 0 40 FIAB Cc1cc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)ccc1Br 4163726 SBNUZSNGOBLPHS-UHFFFAOYSA-N 371.234 4.369 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 4667199 LTGPDWFGOLJXJT-CYBMUJFWSA-N 365.882 4.187 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(Cl)cc1 4815069 XTMUERKEFYWZCR-ROUUACIJSA-N 352.825 4.019 0 40 FIAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816500 OZCDJXRYMOPDTN-VQTJNVASSA-N 360.461 4.310 0 40 FIAB CCCCCCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(C(F)(F)F)C1 4904993 IMNLQFLASXPIGU-QGZVFWFLSA-N 356.388 4.418 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(SC)c3)n2)cc1 4933283 UTKVWSFNDDKTJO-UHFFFAOYSA-N 369.446 4.038 0 40 FIAB Cc1cccc(-c2cc3nc(C)c(C)c(NCC(C)(C)CN(C)C)n3n2)c1 4980196 RFDIHFHRGSEQMO-UHFFFAOYSA-N 365.525 4.321 0 40 FIAB Cc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCC2)cc1 5451432 QVSPZRKOSQVEPS-QDEBQFNMSA-N 374.484 4.243 0 40 FIAB COc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1 5562498 PHYBEKMRWBQCQO-UHFFFAOYSA-N 362.458 4.176 0 40 FIAB Cc1c([C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c2ccccc2n1C 6235720 AMYVUJTUBHRBQA-OPAMFIHVSA-N 360.457 4.211 0 40 FIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1OC 6652151 RDBSSJQWTZMZGU-LLVKDONJSA-N 368.260 4.431 0 40 FIAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1F 6930318 IDNHHCQJQUTFIP-UHFFFAOYSA-N 374.799 4.075 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)Sc2nccn2-c2cccc(F)c2)c1 6972911 BXAJJKGRRZKCJL-AWEZNQCLSA-N 355.438 4.439 0 40 FIAB CCOc1ncccc1C(=O)Nc1ccc(Br)cc1Cl 7016342 PCWYFCNOLSVONV-UHFFFAOYSA-N 355.619 4.149 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(-n3ccnc3)cc2)N1CC(F)(F)F 7043671 RQKVWKLIECPBCM-KRWDZBQOSA-N 372.350 4.001 0 40 FIAB CC(C)[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccs1 7120151 KBXRDMKXGVXAHH-RDJZCZTQSA-N 360.504 4.065 0 40 FIAB Clc1ccc(COc2ccc3ccccc3c2CNn2cnnc2)cc1 7602388 VNPUTRIKPQBLPA-UHFFFAOYSA-N 364.836 4.407 0 40 FIAB CCOc1cc(C(=O)Nc2cccc([C@@H](C)O)c2)cc(OCC)c1OCC 8382865 CKCQGBZIWDTIQO-CQSZACIVSA-N 373.449 4.188 0 40 FIAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 8389357 IZAVQSAXUYZLKH-UHFFFAOYSA-N 374.441 4.064 0 40 FIAB COc1ccc2[nH]c(=O)c(COC(=O)c3ccc(C(C)(C)C)cc3)cc2c1 9159377 UOWAEURSZWSMLB-UHFFFAOYSA-N 365.429 4.191 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-n2cncn2)cc1 9515314 SHXDWGPFUNKOCC-UHFFFAOYSA-N 370.412 4.099 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 10473033 DEHCGLRUXHOGMI-UHFFFAOYSA-N 368.477 4.357 0 40 FIAB CN(Cc1nc2ccccc2n1Cc1ccccc1F)C(=O)c1ccco1 11667116 WYWFAYVRUNJJLH-UHFFFAOYSA-N 363.392 4.089 0 40 FIAB C[C@H](NC(=O)Cn1c(-c2cccs2)cc2cccnc21)c1ccncc1 12148107 ADRGOTOXLFDIDK-AWEZNQCLSA-N 362.458 4.037 0 40 FIAB O=C(CCn1c(C(F)F)cc2cccnc21)N[C@@H]1CCc2ccccc21 12187291 OVOZNAHCJGOYMP-MRXNPFEDSA-N 355.388 4.168 0 40 FIAB Cc1cccc(Nc2ccccc2C(=O)NCc2nnc3ccccn23)c1C 12526974 BIXXSNCMABAYBE-UHFFFAOYSA-N 371.444 4.020 0 40 FIAB CCCc1noc(CSc2nnc(-c3ccco3)n2-c2ccccc2)n1 12647999 OBISVVQXBPDHNP-UHFFFAOYSA-N 367.434 4.155 0 40 FIAB COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1C 12795707 YXXGIZQDXBOEFK-GOSISDBHSA-N 367.445 4.142 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(F)c(F)c1 12853447 IKAUTCVBHXSNBT-SNVBAGLBSA-N 359.401 4.283 0 40 FIAB O=C(CCCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695385 RTITUKOQYOQOGQ-UHFFFAOYSA-N 374.440 4.444 0 40 FIAB CSc1ccc(CN(C)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 14168473 NEYBDPMIXJMERZ-UHFFFAOYSA-N 365.502 4.483 0 40 FIAB Cc1cccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1C 15103716 XPXGJUCSGHAUMS-UHFFFAOYSA-N 365.521 4.364 0 40 FIAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(-c3ccccc3)cc2)n1 15379028 KNRHVSKAJBLCNT-UHFFFAOYSA-N 364.470 4.364 0 40 FIAB CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](c2ccccc2)C1 15554119 AHRBUAXAVMRQAS-GOSISDBHSA-N 363.288 4.051 0 40 FIAB O=c1nc(SCc2ccccc2F)c2c(n1-c1ccccc1)CCC2 15840399 LTAAVIQMODMSNV-UHFFFAOYSA-N 352.434 4.153 0 40 FIAB Cc1ccc(O[C@H](C)c2nn3c(=O)c4ccccc4nc3s2)c(C)c1 17072917 CBHFWAZWHBUCFN-CYBMUJFWSA-N 351.431 4.061 0 40 FIAB CC(C)c1ccc(CN2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 19453240 GLLXPWNXOZROPB-SFHVURJKSA-N 363.465 4.030 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)Cc2ccc(-c3csnn3)cc2)cc1 19854924 IYFCTXRUJQTBMW-UHFFFAOYSA-N 372.515 4.477 0 40 FIAB COc1ccc(-c2csc3nc(CNc4ccccc4)[nH]c(=O)c23)cc1 19926586 INCLLCAFCMPQTD-UHFFFAOYSA-N 363.442 4.272 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC 20456130 RRUIOAOWLISBCL-CHWSQXEVSA-N 363.454 4.201 0 40 FIAB CCCCC(=O)Nc1ccc2nn(-c3ccc(OC)c(Cl)c3)nc2c1 20610774 HLIUYODDUVBFPF-UHFFFAOYSA-N 358.829 4.211 0 40 FIAB Cc1cccc(NC(=O)c2sc(=S)n3c2[nH]c(=O)c2ccccc23)c1 20617730 ONPDOXCSFHKNMF-UHFFFAOYSA-N 367.455 4.133 0 40 FIAB c1ccc(CN2CCC(NC[C@@H](c3ccco3)N3CCCCC3)CC2)cc1 22934050 SLJDKNNRKFJUPL-QFIPXVFZSA-N 367.537 4.061 0 40 FIAB Cc1nc(COc2ccccc2C(=O)N[C@@H](C)c2cccc(Cl)c2)no1 23074868 NITUIKCZODGXNH-LBPRGKRZSA-N 371.824 4.101 0 40 FIAB O=C(NCCOc1ccc(Cl)cc1)c1cc(Br)ccc1F 24651446 WWLCQONUOJBFIR-UHFFFAOYSA-N 372.621 4.050 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc2c(c1)CCCC2 27316957 LOGOBOWNZZIKNR-UHFFFAOYSA-N 374.440 4.341 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc(Cl)cn1 28234276 LNZZAZYNBCENGI-ZETCQYMHSA-N 367.158 4.112 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(CN(CCC(=O)N2CCc3ccccc32)C2CC2)o1 30152794 SNIDRVQYHGVCNS-OXQOHEQNSA-N 364.489 4.347 0 40 FIAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1nc(C2CC2)cs1 30850665 JTEUQULUFQETDK-UHFFFAOYSA-N 355.488 4.249 0 40 FIAB COc1ccc(CN(C)C(=O)CCSc2ccc(C)cc2)cc1OC 30854536 UCWQAPFTUVZUPO-UHFFFAOYSA-N 359.491 4.153 0 40 FIAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 32753275 WUXZRKFAIHVFAT-SNVBAGLBSA-N 354.237 4.145 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccccc1)CCC2 36704281 VPAWRIINDQHNPB-UHFFFAOYSA-N 351.837 4.196 0 40 FIAB CC(C)(C)SCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38852172 SILAZCKKSKLMSZ-INIZCTEOSA-N 368.974 4.200 0 40 FIAB CC(C)c1ccc(NC(=O)NCC(C)(C)N2CCOCC2)c(C(C)C)c1 40104926 GGPMCYRXWZCOEH-UHFFFAOYSA-N 361.530 4.166 0 40 FIAB O=C(NCc1nnc2n1CCCCC2)Nc1ccccc1-c1cccs1 43910822 VZCJLTPYPNLSFA-UHFFFAOYSA-N 367.478 4.055 0 40 FIAB CCOc1cccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 48120466 FMHYZUPJCJCXJM-UHFFFAOYSA-N 371.456 4.011 0 40 FIAB Cc1ccc(NCc2nc(-c3ccsc3)no2)c(Br)c1 48429060 CTHSBXDXWJBJTA-UHFFFAOYSA-N 350.241 4.481 0 40 FIAB Cc1cc(C(=O)N2CCC(c3nnc(-c4ccco4)s3)CC2)c(C)o1 49363062 BGXINUFCSUZXAD-UHFFFAOYSA-N 357.435 4.028 0 40 FIAB O=C(O)c1cccc(Cc2nc3scc(-c4cccs4)c3c(=O)[nH]2)c1 54751838 NGURTHVTQYZKTD-UHFFFAOYSA-N 368.439 4.002 0 40 FIAB CCN1C[C@@H](CN(C)Cc2cc(-c3ccccc3)no2)Oc2ccccc21 69923223 UDCQZUUYBPHXKM-LJQANCHMSA-N 363.461 4.061 0 40 FIAB COC(=O)c1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)cc1 71284379 MBGNIEMSIZWLMZ-MRXNPFEDSA-N 371.462 4.377 0 40 FIAB Cc1nc(-c2ccncc2)sc1C(=O)Nc1nc2c(s1)CCCC2 71285481 AYURJKNUGOPPDZ-UHFFFAOYSA-N 356.476 4.101 0 40 FIAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4c[nH]nc4C)C3)n2)c1 72349742 FNNIWVVEYTVOHE-GOSISDBHSA-N 360.461 4.108 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](Sc2cccc(Br)n2)C1 83323392 WZLRUWJLMBWKHE-LLVKDONJSA-N 373.316 4.336 0 40 FIAB CC[C@H](C)n1ncc(C(=O)OCc2ccc(OC)c(OC)c2)c1C1CC1 89718779 SBIVCUWEHDTBAG-ZDUSSCGKSA-N 358.438 4.106 0 40 FIAB CCCCOc1ccc(CN2CCCN(Cc3csc(C)n3)CC2)cc1 95453839 MJOHLZYPDJSVEG-UHFFFAOYSA-N 373.566 4.338 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C)n1C1CCCCC1 95456563 QDCBTDXQFVYGOQ-SFHVURJKSA-N 355.486 4.096 0 40 FIAB C[C@H](ONC(=O)c1cccc(Br)c1)c1ncc(C(C)(C)C)o1 95972261 WJAFXGGUUHZRAM-JTQLQIEISA-N 367.243 4.157 0 40 FIAB COc1cccc([C@@H](CNC(=O)C2(c3cccs3)CCCC2)OC)c1 96389984 SYZLAHWXMMBPFX-QGZVFWFLSA-N 359.491 4.072 0 40 FIAB CCCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21 100498429 WCDIVWRUBAJMFT-UHFFFAOYSA-N 350.418 4.068 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(F)cc2)C[C@H](c2ccccc2)C1 102614994 VIXMCWSMAMARFX-MGPUTAFESA-N 360.392 4.482 0 40 FIAB O=C(c1cccc(OC(F)(F)F)c1)N1CCS[C@H](c2ccco2)CC1 219417322 NZMDYALAMXICFU-HNNXBMFYSA-N 371.380 4.499 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222700937 OQAWZMLLHHOPDC-UHFFFAOYSA-N 374.481 4.083 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1C(C)C 223789045 JBUFTUISTBYATN-QGZVFWFLSA-N 355.478 4.335 0 40 FIAB O=C(NCC1=CCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 224548628 OFEZJPVCLYLIFH-UHFFFAOYSA-N 364.892 4.308 0 40 FIAB COc1ccc(Nc2ncncc2-c2nc(-c3cccs3)no2)cc1F 225579126 SCGQLUDWJPIKTN-UHFFFAOYSA-N 369.381 4.146 0 40 FIAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1 226344098 NRSWCHWMPATFIQ-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB Cc1ccc(CNc2cc(-c3c[nH]nc3[C@@H]3CCN(C)C3)ccn2)cc1C 257259057 KWQXNQLLTHTHRB-LJQANCHMSA-N 361.493 4.120 0 40 FIAB Cc1nc2c(n1C(C)C)CN(C1CCC1)CC21CCN(CC(C)C)CC1 306144516 ZHMBPVYTPBDQMW-UHFFFAOYSA-N 358.574 4.130 0 40 FIAB CCc1nc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)co1 329474010 BMDWUMDJIYACFF-QGZVFWFLSA-N 356.466 4.226 0 40 FIAB O=C(Nc1ccccc1Cl)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390831607 SUUDGYGBOWXCFP-KBPBESRZSA-N 357.841 4.341 0 40 FIAB C[C@H](Cc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 557901924 YJPCBELPPLTHNV-LJQANCHMSA-N 350.506 4.168 0 40 FIAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c2ccccc2C(=O)N1 558369541 ALDMCMABYWVRQR-IPHXSNPTSA-N 370.452 4.108 0 40 FIAB CCOC(=O)c1c(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)noc1C 574608562 ZDCISVJRRVTHFT-BCDXTJNWSA-N 354.450 4.070 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCCn2nc(C3CC3)cc2C2CC2)cc1 585300162 MJOGOKNOEPGXHH-UHFFFAOYSA-N 351.494 4.365 0 40 FIAB CSCCc1ccccc1NC(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 603088312 HZAQQXMKYVOOBE-GOSISDBHSA-N 372.538 4.274 0 40 FIAB O=C(CC[C@H]1CCCO1)N1CCCCCCCc2ccccc2OCC1 643584498 OSDNEYNPJXPGGU-HXUWFJFHSA-N 359.510 4.360 0 40 FIAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N2CC[C@]3(CCCOC3)C2)cc1 671199219 IMRIWWFGFUQFTP-XMSQKQJNSA-N 374.525 4.007 0 40 FIAB CC(=O)C(C)(C)CCc1nc(-c2ccc(C)c(Br)c2)no1 682678806 AINUEFKUVFCAQA-UHFFFAOYSA-N 351.244 4.355 0 40 FIAB CCOc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1 888533 CVZKIOFVBHLPJI-UHFFFAOYSA-N 373.503 4.438 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3ccccc3C)n2)cc1 929057 PFSLFNIYNSDURM-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB O=C(CSc1nc(C2CC2)nc2ccccc12)N1CCc2ccccc21 1332645 VRBQJRVIVBWAOV-UHFFFAOYSA-N 361.470 4.189 0 40 FIAB COc1ccccc1C(=O)Nc1cnc(NC(=O)C2CCCCC2)cc1C 1358185 TUVFYHKNEJFOCY-UHFFFAOYSA-N 367.449 4.170 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccco1 1364355 WKROAGGDSOSEJE-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB O=C(NC1CCCCC1)Oc1cc2sc(=O)oc2cc1Br 1444164 CKXALMOPEZXTCN-UHFFFAOYSA-N 372.240 4.038 0 40 FIAB CC(C)(C)c1ccc(CSc2nnc(-c3ccc(F)cc3)n2N)cc1 2614793 HQODZWDVRSTTNP-UHFFFAOYSA-N 356.470 4.388 0 40 FIAB O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(Cl)cc1 2798177 AFRJNZAGSOJVAE-UHFFFAOYSA-N 365.195 4.025 0 40 FIAB CCC[C@H](C)NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3576024 WLGXIRVHTCZGQF-ZDUSSCGKSA-N 364.540 4.295 0 40 FIAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 4731443 YMZDWRUIOYFQER-QGZVFWFLSA-N 353.809 4.152 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(Cl)ccc1O 4926666 JYUUWIGJZNVFNX-HACGYAERSA-N 368.857 4.206 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccoc2C)n1C 4947710 FZPIAJDSMWOTQM-UHFFFAOYSA-N 366.446 4.148 0 40 FIAB O=C(NCCCCCCCCCCNC(=O)c1ccco1)c1ccco1 5042667 PMKBDGYUEPDZHB-UHFFFAOYSA-N 360.454 4.153 0 40 FIAB CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@H]1C 5047932 QLRZGUBJCXPDGG-ZWZGKBJOSA-N 367.574 4.255 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 5136218 SDCDNRWGVAPPEW-UHFFFAOYSA-N 360.413 4.433 0 40 FIAB CCOc1ccc(C2=Nc3ccc(F)cc3C(c3cccnc3)=NN2)cc1 5444495 BDGRTTYBPSGKLL-UHFFFAOYSA-N 360.392 4.053 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]1C 5834484 XTOLYXKPYLHHQR-HSMVNMDESA-N 372.292 4.020 0 40 FIAB Cc1sc2ncnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)c2c1C 5902441 RQKGVIVCNSZOOS-LLVKDONJSA-N 368.487 4.398 0 40 FIAB O=C(Nc1cccc2ccccc12)N[C@H](Cc1ccc(Cl)cc1)C(=O)O 5905167 KAZVDCKTQQACPO-GOSISDBHSA-N 368.820 4.311 0 40 FIAB O=C(COc1cccc2cccnc12)Nc1cccc(Br)c1 6127918 RUJLZYCQVSWNAR-UHFFFAOYSA-N 357.207 4.015 0 40 FIAB Cc1cc(C(=O)NCc2cccs2)c2c(C)nn(-c3ccccc3)c2n1 6772734 MKKHTMIQCNLAJV-UHFFFAOYSA-N 362.458 4.029 0 40 FIAB CCOc1ccc(CNC(=S)Nc2ccc(F)cc2F)cc1OCC 6964409 UKCKLFRNEZUQTH-UHFFFAOYSA-N 366.433 4.249 0 40 FIAB CCOc1ccc(CN(C)Cn2nc(-c3cccs3)[nH]c2=S)cc1 7077237 HINJOGUWKQHBTQ-UHFFFAOYSA-N 360.508 4.157 0 40 FIAB CCc1ccc(C(=O)COc2ncnc3ccc(Br)cc23)cc1 7653047 HIPNZWYRBJHSLK-UHFFFAOYSA-N 371.234 4.216 0 40 FIAB C[C@H](NC(=O)CSc1ccc2c(c1)OCCO2)c1cccc(Cl)c1 7779272 DKIRAQSTYOUIRA-LBPRGKRZSA-N 363.866 4.081 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccccc2Cl)CC1=O 7928184 JASKJGZNNTYWGY-INIZCTEOSA-N 370.880 4.456 0 40 FIAB CS(=O)(=O)c1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 7990311 ZZFWQOFYWXFHRT-UHFFFAOYSA-N 357.456 4.071 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 8074031 NNRAOHKVAIJKET-UHFFFAOYSA-N 354.793 4.231 0 40 FIAB COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCSc3ccccc32)cc1 8328997 LVPYIAZWVJZZBR-KBXCAEBGSA-N 356.491 4.239 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)NCCSc1ccc(Cl)cc1 8496478 LSXPMRRYLUNZPB-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c(C)c1 8945469 HUOMULHWRNCKMA-RMKNXTFCSA-N 363.866 4.012 0 40 FIAB COc1cccc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)c1 9108897 ARZYZJWMLSPBGL-HNNXBMFYSA-N 353.809 4.213 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccco1 9883597 AFGUOSMULMIEOW-VLIAUNLRSA-N 361.397 4.225 0 40 FIAB COc1ccccc1Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O 9939272 MSHAXQQOHFMTGM-CQSZACIVSA-N 363.392 4.281 0 40 FIAB Cc1ccc(OCc2nn3c(-c4cccc(F)c4)nnc3s2)cc1C 10311605 DQZUYJAITQMGQX-UHFFFAOYSA-N 354.410 4.188 0 40 FIAB COc1cc(CCC2CCN(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1 11128335 DESQHSWISPIGQM-UHFFFAOYSA-N 367.489 4.497 0 40 FIAB COC(=O)c1sccc1NC(=O)CSC12CC3CC(CC(C3)C1)C2 11572370 MXWUONQHNUUWMT-UHFFFAOYSA-N 365.520 4.175 0 40 FIAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)cc1F 12772310 GJSGERRNVOZAEL-HNNXBMFYSA-N 358.432 4.442 0 40 FIAB Cc1ccc(C(=O)[C@@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)s1 13996995 FJUWDCZKRRCCPC-GFCCVEGCSA-N 371.849 4.409 0 40 FIAB C[C@@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 15608363 BOWOBHHZUWLUNX-LLVKDONJSA-N 365.330 4.072 0 40 FIAB COc1cc(OC)c(NC(=O)Cc2c(F)cccc2Cl)cc1Cl 15949146 NABPRCXHMOMIBE-UHFFFAOYSA-N 358.196 4.331 0 40 FIAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1 16780643 CNYMWFZDDGWWON-UHFFFAOYSA-N 363.479 4.192 0 40 FIAB Cc1ccc(CCC(=O)N2CCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)o1 19216395 ZVLAZGSHDVEAQA-LJQANCHMSA-N 351.450 4.377 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20451468 YAWARCUBOVDMAF-UXHICEINSA-N 360.542 4.150 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1Cc2ccccc2S1 21410814 XMONQDLIUVBEND-NRFANRHFSA-N 366.530 4.006 0 40 FIAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(Nc3ccccn3)n2)cc1 22421030 AXUBWPXMRODLOQ-AWEZNQCLSA-N 366.490 4.406 0 40 FIAB CCCCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 22757461 MWRVBKNSXZZZIN-UHFFFAOYSA-N 363.874 4.153 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Oc1cccc2ccc(C)nc12 26843802 WENWZCJILXRXLM-UHFFFAOYSA-N 371.458 4.443 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C(F)(F)F 27974218 CDNHZBMLJAMWNE-LLVKDONJSA-N 357.759 4.443 0 40 FIAB Cc1ccc(-c2cc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)n[nH]2)s1 29860639 SLRJTSRVIMIXAK-FQEVSTJZSA-N 374.469 4.361 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3cc(-c4ccco4)[nH]n3)c2)cs1 30606151 JQARZWOWEUNVLT-UHFFFAOYSA-N 350.403 4.354 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 30946186 LDMATMQBEHRHAL-UHFFFAOYSA-N 366.505 4.199 0 40 FIAB Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cs2)o1 31285723 ODTAXDBSIVJCQB-UHFFFAOYSA-N 350.403 4.354 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(OC[C@H]2CCCO2)c1 32776622 OAYJGSKYQXLFNV-OAHLLOKOSA-N 363.816 4.218 0 40 FIAB COc1ccc(OC)c(CN(C(=O)[C@H]2CCCc3ccccc32)C2CC2)c1 32800816 UWVADBJKPLPJSM-NRFANRHFSA-N 365.473 4.315 0 40 FIAB O=C(NCc1cnn(-c2ccccc2)c1)C1(c2ccc(Cl)cc2)CCC1 32904585 SUVWEQPSICOJPX-UHFFFAOYSA-N 365.864 4.264 0 40 FIAB NC(=O)Nc1cccc(NC(=O)c2ccc(OCc3cccs3)cc2)c1 40079901 MSXSTGVIUOJKCR-UHFFFAOYSA-N 367.430 4.070 0 40 FIAB COc1cccc(NC(=O)CN(C(=O)[C@@H]2CC=CCC2)c2ccccc2)c1 40146264 QMDSYVNQKAYXOF-QGZVFWFLSA-N 364.445 4.023 0 40 FIAB CCCCCCOc1ccc(C(=O)NCc2cnc(C)s2)cc1OC 40158530 RJYMQTJQECRGTO-UHFFFAOYSA-N 362.495 4.349 0 40 FIAB O=C(O)c1cn(-c2ccc(F)cc2)c2c1N=C(O)C[C@@H]2c1ccsc1 40287878 HZHGTFKQCLJRNG-CYBMUJFWSA-N 356.378 4.500 0 40 FIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1csc(-c2cnccn2)n1 44123650 UPEIEFHGWDJIBW-UHFFFAOYSA-N 370.437 4.424 0 40 FIAB Fc1ccc(-c2nnc3sc(C4CCC4)nn23)cc1Br 44900731 UTLYOVMWPFZVOV-UHFFFAOYSA-N 353.220 4.022 0 40 FIAB CCCCn1c(S[C@@H](C)c2nnc(C)o2)nnc1-c1ccc(OC)cc1 48186593 DDPDKTYSMBHASN-LBPRGKRZSA-N 373.482 4.299 0 40 FIAB COc1cc(C(=O)N2CCCCCCC2)ccc1OCc1c(C)noc1C 49950405 NIGHBVLUSWNQLC-UHFFFAOYSA-N 372.465 4.285 0 40 FIAB O=C(Nc1cc(-c2cccnc2)n[nH]1)c1ccc2[nH]c3c(c2c1)CCCC3 58175597 OGOWWIRBIHAUFW-UHFFFAOYSA-N 357.417 4.084 0 40 FIAB Cc1cc(C(=O)OCC(=O)N2CCC[C@@H]2c2cccs2)c(C)n1C1CC1 60901993 FUOQMMPLXVRVKH-QGZVFWFLSA-N 372.490 4.022 0 40 FIAB O=C1COc2ccc(Cl)cc2CN1Cc1cccc(C(F)(F)F)c1 65184389 KCPVGPFPMZMLII-UHFFFAOYSA-N 355.743 4.280 0 40 FIAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)C12CCCCC2 70666473 QYESQEDVDNPDIU-QFBILLFUSA-N 356.510 4.252 0 40 FIAB biogenic CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(Br)cc1C 72414355 QKZHDLXONFVDQA-UHFFFAOYSA-N 368.296 4.281 0 40 FIAB O=C(NCCc1ccccc1)N1CCC(COCc2ccc(F)cc2)CC1 75156570 BDBKQOPSNRMFGY-UHFFFAOYSA-N 370.468 4.007 0 40 FIAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([C@@H](C)CCO)CCC1 95463266 ZZLFDZQLMTVILV-IRXDYDNUSA-N 361.526 4.056 0 40 FIAB CC[C@](CNC(=O)c1cc(Br)cs1)(OC)c1ccccc1 96123741 OXUJCMAFICECHG-MRXNPFEDSA-N 368.296 4.192 0 40 FIAB FC(F)(F)c1ccc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 96245614 VYQLLCDAZLDPDV-OALUTQOASA-N 360.423 4.269 0 40 FIAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1Cl 101277132 IISCNRHUMLDEPC-CYBMUJFWSA-N 369.635 4.391 0 40 FIAB O=C(O)CCCCCn1c(=S)[nH]c2c(oc3ccc(Cl)cc32)c1=O 101416214 BRBGZSMLHPRPQE-UHFFFAOYSA-N 366.826 4.104 0 40 FIAB C[C@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 103813742 RTXZBUSSCJLHIH-SICTXDDSSA-N 360.567 4.018 0 40 FIAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 106547793 VNEQFRUUMQUHJH-RYQLBKOJSA-N 363.436 4.212 0 40 FIAB O=C(C[S@](=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 107930259 SOVHFCSVGZRTGF-HSZRJFAPSA-N 361.772 4.105 0 40 FIAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 164901605 IMZBXMURKNPQBG-UHFFFAOYSA-N 363.288 4.275 0 40 FIAB Cc1nc(-c2nnsc2C(=O)OCc2ccc(Cl)c(Cl)c2)co1 223861080 AVUCTHAMJCONLN-UHFFFAOYSA-N 370.217 4.165 0 40 FIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 224137854 BGYJGQQMIQOFTA-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C 224161539 JDHCJCGWSNZIIJ-PMACEKPBSA-N 362.502 4.214 0 40 FIAB COc1cccc(CCCNC(=S)Nc2ccc(OC(C)C)cc2)c1 225554494 PEONUHKOYCOXKN-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)c1 225632367 VXRCVKFZUOSFOZ-INIZCTEOSA-N 370.518 4.419 0 40 FIAB Cc1nn(CCNC(=O)Nc2c(F)cccc2F)c(C)c1-c1ccccc1 238942090 WBSUWHXWWGUXFH-UHFFFAOYSA-N 370.403 4.267 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 243759583 QBABJYUAFZSZIO-UHFFFAOYSA-N 370.880 4.068 0 40 FIAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 257304874 SNMDIRNDGXSROL-RACICXKXSA-N 370.512 4.089 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nc(O)c3c(C)csc3n2)c1 408594070 FAIMQGZXKGRDIE-UHFFFAOYSA-N 359.476 4.053 0 40 FIAB Cc1ccncc1CCNC(=O)CCCOc1cccc(Cl)c1Cl 617657430 DNIVOWZVWICKJG-UHFFFAOYSA-N 367.276 4.215 0 40 FIAB Cn1cc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c(C2CCCCC2)n1 678979362 BFIPOYPEODJGBA-UHFFFAOYSA-N 361.829 4.072 0 40 FIAB F[C@@H]1CCCN(Cc2cc(Br)ccc2Br)C1 1140633332 SMEXRZGIFASISH-LLVKDONJSA-N 351.057 4.146 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615126693 MUUZEZIGWNLGJF-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB CC(C)COc1cccc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)c1 1652476439 OAYKZTCLRLMMOP-NRFANRHFSA-N 370.468 4.098 0 40 FIAB Cc1noc(C)c1CN1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 2087044169 QAJSKIOTTOYIGT-UHFFFAOYSA-N 362.477 4.492 0 40 FIAB CCOc1ccc(NC(=O)CSc2nnc(C)n2C2CCCCC2)cc1 640319 JPCMEDQAMLEDPL-UHFFFAOYSA-N 374.510 4.221 0 40 FIAB COc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1Cl 950131 WZVXBDRUVZTLII-UHFFFAOYSA-N 361.854 4.410 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1cccnc1 1061287 ZHNBNBGWEFEACO-UHFFFAOYSA-N 356.403 4.141 0 40 FIAB O=C1C[C@@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1F 1095887 UOJTVSMAVLSATP-CQSZACIVSA-N 353.777 4.042 0 40 FIAB CCCc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)cc1 1346944 MRDQXVGYRJAJHJ-LJQANCHMSA-N 369.440 4.413 0 40 FIAB CC(C)(C)[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 1389070 RLYKWMRVLAFKOJ-KRWDZBQOSA-N 365.882 4.342 0 40 FIAB CCOC(=O)[C@H](Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1 2269332 HYYVXHULDMWTTA-CQSZACIVSA-N 373.250 4.215 0 40 FIAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccccc4)sc3nc2C1 2309392 BNLWRMKPOGAWGH-UHFFFAOYSA-N 365.458 4.286 0 40 FIAB Cc1cc(C)c(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)c1 2634362 XWUTTWYOIJAJOI-UHFFFAOYSA-N 372.774 4.084 0 40 FIAB COC(=O)c1cc(N2C(=O)c3cccc4cccc(c34)C2=O)ccc1Cl 2740633 QEEOPTAYDATUML-UHFFFAOYSA-N 365.772 4.080 0 40 FIAB O=C(CSC1=NCCS1)Nc1ccc(Cl)cc1C(F)(F)F 3226511 CODJPBZWBSNDOH-UHFFFAOYSA-N 354.806 4.133 0 40 FIAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NC1CCCCC1 3383174 XLLHDUABVFVFSH-UHFFFAOYSA-N 352.434 4.036 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C 3895707 BJUSMSYCTXERJD-UUKMXZOPSA-N 358.526 4.002 0 40 FIAB CCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H](C)CCC)cc1 4065719 ZSHDARVIUKPAED-AUUYWEPGSA-N 374.481 4.083 0 40 FIAB Cc1ccc2sc(N(CCCN(C)C)C(=O)c3ccco3)nc2c1C 4359800 QYSBTMVSMKVLFI-UHFFFAOYSA-N 357.479 4.105 0 40 FIAB CCCc1cc(=O)oc2cc(C)cc(O[C@H](C(=O)OC)c3ccccc3)c12 4747477 ZWAZOABOJOZVQQ-NRFANRHFSA-N 366.413 4.347 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)cc1 5269475 NCRJKNNSNZWOKL-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)C3CCC3)ccc21 5399210 WKJOPEMGYRICCL-CQSZACIVSA-N 364.445 4.485 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 5476791 MOCSPHSWORPUIA-HOCLYGCPSA-N 354.425 4.331 0 40 FIAB COc1cc(C=O)cc(Br)c1OC(=O)c1ccccc1Cl 5661072 AKTLXFARNQTODS-UHFFFAOYSA-N 369.598 4.143 0 40 FIAB COc1cc(C(=O)OCc2c(Cl)cccc2Cl)cc(OC)c1OC 6078580 AXBLZQCCXFIJMT-UHFFFAOYSA-N 371.216 4.376 0 40 FIAB O=C(CCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6344167 YCYWOCYVRHSSPN-UHFFFAOYSA-N 366.442 4.153 0 40 FIAB COc1cccc(/C=C(/C#N)c2cccc3ccccc23)c1OCC(=O)O 6452161 MADNRDWQLWZGDR-ATVHPVEESA-N 359.381 4.376 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cc(C)ccc1C)C(C)C 6617912 OXBDBFRXWWMHBR-FQEVSTJZSA-N 368.477 4.095 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)n2C)c1 7007514 ARVFOBYRXNZQIM-UHFFFAOYSA-N 362.458 4.247 0 40 FIAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1Br 7306134 ISJWXIGZCCKUNI-XZHRJIJLSA-N 366.280 4.100 0 40 FIAB CC[C@H](CO)NCc1c(OCc2ccccc2F)ccc2ccccc12 8326999 HBGWQFHUJRYYBY-GOSISDBHSA-N 353.437 4.418 0 40 FIAB CC[C@H](CO)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8337113 IUAGYMHVMUIQSI-MRXNPFEDSA-N 354.277 4.433 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CC=C(c2ccccc2)CC1 8346125 FDZBMWGNRWYYCG-CSKARUKUSA-N 361.441 4.177 0 40 FIAB Cc1ccc(Cc2nn3c(COc4ccc(F)cc4)nnc3s2)cc1C 8393376 HSABMFFUPQMESQ-UHFFFAOYSA-N 368.437 4.112 0 40 FIAB O=c1nc(-c2ccccc2)cc(C[C@@H](O)c2ccc(Cl)c(Cl)c2)[nH]1 8653008 URBUFALGLHDPKQ-QGZVFWFLSA-N 361.228 4.020 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccc(Cl)cc2Cl)C1 8699256 RWQXYYSHOCDDIC-VXGBXAGGSA-N 360.237 4.029 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2ccc(Cl)cc2Cl)C1 8699259 RWQXYYSHOCDDIC-RYUDHWBXSA-N 360.237 4.029 0 40 FIAB CCCCNc1nnc(SCC(=O)Nc2ccc(F)cc2Cl)s1 8852217 QMEYMHSXXGXTOB-UHFFFAOYSA-N 374.894 4.273 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 9198967 JBCKHZMCUDTHMS-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB COc1cc(NC(=O)CNc2ccccc2C(C)(C)C)cc(OC)c1OC 11041986 MPIXFFQCWSYMSK-UHFFFAOYSA-N 372.465 4.061 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCCC2)cc1 11915574 DFBWOCVBVVAHGW-NRFANRHFSA-N 370.468 4.181 0 40 FIAB biogenic Cc1nc(-c2ccc(CNC(=O)c3c(F)cccc3F)s2)cs1 12927344 KLXMEIIHWYMFNL-UHFFFAOYSA-N 350.415 4.388 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13708929 IGVLVXDLGHLSGZ-HNNXBMFYSA-N 363.413 4.423 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 13734820 YKFDOIPDCNGRGN-KRWDZBQOSA-N 362.477 4.047 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1 15599699 NKEFDONATCPNPF-QGZVFWFLSA-N 364.367 4.220 0 40 FIAB Cn1c(CNC(=O)C(c2ccccc2)c2ccccc2)nc2ccccc21 16694918 IBUCGJYDKQRBAQ-UHFFFAOYSA-N 355.441 4.022 0 40 FIAB CC(C)c1csc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)n1 19717282 ROESGAMMTVWSCJ-UHFFFAOYSA-N 363.446 4.229 0 40 FIAB CCCC[C@@H](CC)CNC(=O)/C(=C\c1ccc(F)cc1)n1ccccc1=O 19810271 BPGMBZOTFMPQQR-FABDANFUSA-N 370.468 4.318 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC(C)C 20456574 FYBYEKRSSLSGDC-LJQANCHMSA-N 368.477 4.238 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 20490802 IRQLHEZKUDGEKQ-FUHWJXTLSA-N 371.477 4.355 0 40 FIAB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 23163074 GQUDUXSHFUCJFR-CPNJWEJPSA-N 374.440 4.260 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](c1ccccc1)C1CC1 24027471 SSGJTAFVDJZFQF-GGAORHGYSA-N 360.457 4.218 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CNc1ncnc2c1oc1ccccc12 24071359 PHZUJLPGNJNXKP-UHFFFAOYSA-N 366.808 4.388 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)CCNc2ccc(OC)cc2)cc1 24969381 OKRZENRJZDEWNU-OAQYLSRUSA-N 368.477 4.260 0 40 FIAB COC(=O)Nc1c(Sc2ccc(Cl)cc2)nn2c(C)cc(C)nc12 27562731 RLSYAQPWUCQQKI-UHFFFAOYSA-N 362.842 4.329 0 40 FIAB O=C(Cc1ccccc1F)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967621 VNTLVLSPYFWJOW-UHFFFAOYSA-N 363.314 4.211 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1 33028470 FMCTVMXLMBKXQZ-IBGZPJMESA-N 360.885 4.160 0 40 FIAB Cc1nc(Cc2nn3c(-c4cc(Cl)ccc4F)nnc3s2)cs1 36359278 VRZMVYQNQZXYCG-UHFFFAOYSA-N 365.846 4.001 0 40 FIAB Cc1nc(Cc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cs1 36392880 ISYGLSBQJHLMSP-UHFFFAOYSA-N 355.488 4.293 0 40 FIAB CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1ccccn1 40156130 CTQFUBMNBWNXCW-UHFFFAOYSA-N 366.440 4.096 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 46894227 VSXKETLXWTYGQG-HNNXBMFYSA-N 355.434 4.423 0 40 FIAB COc1ccc(CN(C)Cn2ncn([C@H](C)c3ccccc3)c2=S)cc1 54424983 RJFYKHIPZDIIQA-MRXNPFEDSA-N 368.506 4.121 0 40 FIAB CCCN(C(=O)c1cc(-c2cccnc2)on1)[C@@H]1CCc2ccccc2C1 56351420 RBDGIDIGABHMTG-LJQANCHMSA-N 361.445 4.146 0 40 FIAB COCCNC(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 65477915 IMZPXSLQNPRUSH-UHFFFAOYSA-N 372.318 4.405 0 40 FIAB C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc([S@@](C)=O)cc1)C1CC1 69351262 ZNLAMMCUVKKHSB-OZAJXLCCSA-N 361.894 4.443 0 40 FIAB Cn1cc(/C=C2\SC(=O)N=C2Nc2ccc(OC(F)(F)F)cc2)cn1 72401640 GFZBDNNNHAZSRR-SDQBBNPISA-N 368.340 4.037 0 40 FIAB COc1cc(-c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)ccc1O 85384255 AUGKJFAFFJRHEW-UHFFFAOYSA-N 353.422 4.062 0 40 FIAB Cc1cc(-c2nn3c(-c4cc(Cl)ccc4Cl)nnc3s2)on1 95475867 QGXBNMCICQZDTK-UHFFFAOYSA-N 352.206 4.123 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@H](OCc2ccccc2)CO3)s1 96047856 QBVIBMMRHXUEFK-IBGZPJMESA-N 357.519 4.397 0 40 FIAB C[C@@H](c1ccc(F)c(F)c1)[S@](=O)c1cc2c(cc1Cl)OCCO2 97011069 UUCVYRXMIAZVFS-YGWIHHTISA-N 358.793 4.258 0 40 FIAB Cc1ccc(C[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2C)cc1 100313258 LIPCTGGFOGLSIF-SUMWQHHRSA-N 361.363 4.382 0 40 FIAB COc1ccc([C@H]2C=C(c3ccccc3Cl)Nc3ncnn32)cc1OC 101134624 PTRNSUFXSKSWMY-MRXNPFEDSA-N 368.824 4.005 0 40 FIAB O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(-c2ncn[nH]2)c1 156505606 OUORCAGNMMFPSV-GOSISDBHSA-N 374.444 4.038 0 40 FIAB O=C(CCc1ccccc1Br)c1ccc(N2CCOCC2)cc1 199765342 OUJKOXVUTSRCFJ-UHFFFAOYSA-N 374.278 4.101 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1ccc2cccnc21 206659986 RILNOKNRUCMNPJ-UHFFFAOYSA-N 371.868 4.054 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C 223004977 GDVWATVWSMCLNB-MRXNPFEDSA-N 373.518 4.230 0 40 FIAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223119341 OHTJFBIZCDWXNW-OALUTQOASA-N 354.523 4.208 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1cccc2ccccc12 223544821 GSJDORVOTDAANG-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)COc2ccc(Cl)cc2Cl)c1 223975163 VWCNITOXLWPMDR-UHFFFAOYSA-N 368.260 4.184 0 40 FIAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 224120042 ATXOEXBTDANDBR-GOSISDBHSA-N 353.462 4.355 0 40 FIAB CC1(C)C[C@H](NC(=O)COc2ccc3c(c2)CCCC3)c2ccccc2O1 224194706 NDHLWUDWPKUNEZ-FQEVSTJZSA-N 365.473 4.363 0 40 FIAB CCCC[C@H](CC)CNC(=O)COc1ccc(Br)c(C)c1 224241579 QICWOIGSGACIDV-AWEZNQCLSA-N 356.304 4.469 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 225537598 CTWILZZQJWOPEI-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc2c(c1)OCO2 225677716 LKYBYNNHBKCKRL-HNNXBMFYSA-N 370.474 4.313 0 40 FIAB Nc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCCC1 226266322 YQUOMFUSDWRBQM-UHFFFAOYSA-N 374.282 4.274 0 40 FIAB COc1ccc2c(ccn2CCC(=O)N2CCCC[C@@H]2c2cccnc2)c1 247956697 ORTXJQZLUBQEOG-OAQYLSRUSA-N 363.461 4.189 0 40 FIAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCc3ccccc3C2)c1 257216215 CTPDFKJAUHACCV-UHFFFAOYSA-N 371.484 4.009 0 40 FIAB O=C1CN(C(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2N1 408576322 SIPSTXLACYQJQD-XDJHFCHBSA-N 354.409 4.213 0 40 FIAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 408652595 DNYPJWSAJCDWLU-QGZVFWFLSA-N 351.446 4.385 0 40 FIAB O=C(NCc1ccc(-c2ccco2)cc1F)N[C@H]1CCOC2(CCCC2)C1 572946612 WFAORGUAPHFDEW-KRWDZBQOSA-N 372.440 4.377 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C1(c2ccc(F)cc2)CC1 575611291 UNXLTCCLHIPXRA-MRXNPFEDSA-N 371.433 4.029 0 40 FIAB CC(C)(C)N1CCC(NC(=O)c2cccc(Nc3ccccc3)c2)CC1 605298509 VUQOZJXSVJYYCP-UHFFFAOYSA-N 351.494 4.423 0 40 FIAB C[C@]1(C(=O)OCc2ccccc2)CCCCN1C(=O)OCc1ccccc1 675082844 YYCMHDXTZPNRIU-JOCHJYFZSA-N 367.445 4.311 0 40 FIAB Cc1nc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc(C(F)(F)F)n1 1776009743 PDFWLZHZYZKITN-RYUDHWBXSA-N 371.794 4.026 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)o2)c1 863300 VDCGGOSGMCGRDK-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCSc1nnc(CNc2ccc(F)cc2)n1-c1ccc(OC)cc1 925256 WKDUTGQAJKCXMD-UHFFFAOYSA-N 358.442 4.139 0 40 FIAB COc1ccc(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)cc1 993070 QLFVZJXHLINWKD-UHFFFAOYSA-N 367.426 4.271 0 40 FIAB COc1ccc(C2=N/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)O2)cc1OC 1513277 BVXAJDZECFFBTA-SFQUDFHCSA-N 365.429 4.346 0 40 FIAB COc1ccc(SCc2cc(OC)c(OC)c(OC)c2)cc1OC 1856891 BXNSQDHDQJLOBU-UHFFFAOYSA-N 350.436 4.022 0 40 FIAB CCn1/c(=N\C(=O)c2cccs2)sc2cc(Br)ccc21 2641837 JTJYNPDGCKFGAH-JQIJEIRASA-N 367.293 4.288 0 40 FIAB CC(C)(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)cc1 2777970 XSFCDLKFUSEBDD-UHFFFAOYSA-N 363.339 4.411 0 40 FIAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccc(Cl)cc1 3327639 MJCGBPIXDBGEMZ-SNVBAGLBSA-N 356.775 4.216 0 40 FIAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1OC 3363787 NTCVSOYXWAEMSR-UHFFFAOYSA-N 354.233 4.283 0 40 FIAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)o1)c1ccccc1 3477865 QPMQLMPNJMNAGK-UHFFFAOYSA-N 353.447 4.270 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc(-n2nncc2C(C)(C)C)cc1 3582140 YUDSSQGWZYWOBC-UHFFFAOYSA-N 364.449 4.216 0 40 FIAB CSc1cccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c1 4648677 UVHHQIZOAODUNO-UHFFFAOYSA-N 359.491 4.107 0 40 FIAB O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1nccs1 4735834 SRTPCGKNHXKROM-UHFFFAOYSA-N 368.443 4.077 0 40 FIAB CC[C@](C)(CCNC(=O)CCOc1ccccc1O)c1ccccc1OC 5265971 XNLNPUDXBDFPCT-JOCHJYFZSA-N 371.477 4.044 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 5310253 GXBLUIZBYUOAHR-UHFFFAOYSA-N 367.261 4.304 0 40 FIAB COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c2ccccc12 5513395 GGLPLZILUCNVFY-CTNGQTDRSA-N 372.424 4.018 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2cccc(Cl)c2)cc1 5781879 AGLUSUGIXDJKDH-BRADTZPFSA-N 357.837 4.486 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 6063757 YSZWUVJVERNIND-UHFFFAOYSA-N 351.446 4.419 0 40 FIAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(F)c1 6551381 OSUAMAQQKOSLTB-UHFFFAOYSA-N 362.404 4.051 0 40 FIAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 6656436 GFICSRMNJGGKCZ-UHFFFAOYSA-N 361.825 4.186 0 40 FIAB CCN(CC)c1ccc2cc(-c3nc(-c4cccs4)no3)c(=O)oc2c1 6868037 ADOHVZWIBNACAZ-UHFFFAOYSA-N 367.430 4.418 0 40 FIAB O=c1oc2ccccc2n1CN1CCC[C@@H](c2nc3ccccc3s2)C1 7142602 SWKDFCZDSZXFTR-CQSZACIVSA-N 365.458 4.041 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(OC)cc1)O[C@@H](C)C2 7652288 GYQANPADJRPORK-SEIPJRMCSA-N 353.418 4.069 0 40 FIAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7905361 WZCCOIBQGHGWAQ-NSHDSACASA-N 352.463 4.335 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 8071851 ZBOABBUYUGXGBS-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB Cc1cc(/C=C/C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c(C)n1C1CC1 8327557 DRDRSODUQUVVGO-FMIVXFBMSA-N 374.488 4.297 0 40 FIAB O=C(CCc1ccccc1)Nc1cccc(NC(=O)Cc2ccccc2)c1 8471416 FQPSVBCEJVTFFZ-UHFFFAOYSA-N 358.441 4.439 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 8499037 LOGVPWJUDRIXST-UHFFFAOYSA-N 368.477 4.141 0 40 FIAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)cc(Cl)c1 8734961 IALFNEUXMGQXBW-UHFFFAOYSA-N 361.228 4.449 0 40 FIAB O=C(CSc1ncnc2ccsc12)Nc1ccccc1OC(F)F 9478022 PWCYLZRSKQHAQR-UHFFFAOYSA-N 367.402 4.024 0 40 FIAB CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792387 XVMRCJSQSBFQJV-QRWLVFNGSA-N 354.450 4.215 0 40 FIAB Cc1noc(C)c1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 10219426 SISHYIGDMFWMSJ-GOSISDBHSA-N 358.488 4.131 0 40 FIAB COc1ccccc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 11646040 DCGBQLANEIWSOF-UHFFFAOYSA-N 353.447 4.157 0 40 FIAB Cc1cc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)ccc1Cl 11917335 AJCUVWPMYKYMIL-JTQLQIEISA-N 350.871 4.247 0 40 FIAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCC(C)CC1 12222782 SJRCPFCITUQOSA-UHFFFAOYSA-N 362.477 4.055 0 40 FIAB CCC(C)(C)NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12792115 RSXIYSRUKDUKKR-KRWDZBQOSA-N 373.884 4.389 0 40 FIAB CSc1cccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12863665 NQGOBRFVWMCSCX-UHFFFAOYSA-N 370.503 4.277 0 40 FIAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 13012775 FADDOULIXFIEQH-UHFFFAOYSA-N 364.401 4.030 0 40 FIAB O=C(Cn1cc(Br)ccc1=O)c1ccc(-c2ccccc2)cc1 14183681 URFZHOZEFSHWQZ-UHFFFAOYSA-N 368.230 4.161 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 14814605 DCTPSENYKAPDGC-UHFFFAOYSA-N 364.380 4.237 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)cc2s1 16468519 FAZYUIVCFJCYQI-HNNXBMFYSA-N 368.458 4.415 0 40 FIAB Nc1c(C(=O)N2CCCCCC2)sc(=S)n1-c1ccccc1F 17178044 FLEJJRJWYOTBDD-UHFFFAOYSA-N 351.472 4.006 0 40 FIAB Cc1cc2nc([C@H]3CCN(Cc4ccccc4)C3)cc(C(F)(F)F)n2n1 19129117 QCZMLHBEXBICMJ-HNNXBMFYSA-N 360.383 4.046 0 40 FIAB C[C@H]1CN(CCCOC(=O)Nc2ccc(Cl)cc2)CCN1C(C)(C)C 19365092 ADBGGFMEKSYLLE-HNNXBMFYSA-N 367.921 4.083 0 40 FIAB CCc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1 19842160 IUJIURWHXRMQHJ-UHFFFAOYSA-N 373.338 4.329 0 40 FIAB Cc1cccc(OCCNC(=O)c2cc(Br)ccc2Cl)c1 21785048 LQXMZVAIKWGJRD-UHFFFAOYSA-N 368.658 4.220 0 40 FIAB Cc1cc2cc(NC(=O)c3ccc(CN4CCCCC4=O)cc3)ccc2[nH]1 25129259 YJHQYIJQODVGHD-UHFFFAOYSA-N 361.445 4.241 0 40 FIAB CCc1cc(C(N)=O)c(NC(=O)c2cccc(Oc3ccccc3)c2)s1 27921392 PXIKATVEYSVRRF-UHFFFAOYSA-N 366.442 4.454 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(-n2ccnc2C)cc1 28306062 XNWFDNJJSLBXHE-UHFFFAOYSA-N 356.813 4.487 0 40 FIAB Cc1nc(CSCCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cs1 29215079 OLRXCBJCLZANCN-UHFFFAOYSA-N 372.418 4.035 0 40 FIAB CC(=O)c1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)s1 32774154 GJBWONIWMGKNFY-UHFFFAOYSA-N 356.491 4.213 0 40 FIAB COc1cc(COC(=O)c2cccc3ncccc23)ccc1OC(F)F 32872085 ZQVDKFWNWYKNNX-UHFFFAOYSA-N 359.328 4.202 0 40 FIAB CC(C)CNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182070 RADHDNQUWKVXHG-UHFFFAOYSA-N 351.475 4.187 0 40 FIAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC[C@H](C(F)(F)F)C1 40087386 BLCUOSLLIJXHAN-NSHDSACASA-N 358.747 4.410 0 40 FIAB Cc1ccnc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c1 40143955 HQYIEBGATABALN-UHFFFAOYSA-N 363.465 4.328 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 40145717 NQECBXJDTPVCAB-MSOLQXFVSA-N 370.518 4.139 0 40 FIAB CCOC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 48416021 NMVLTTCRGREURD-UHFFFAOYSA-N 352.818 4.465 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)N[C@@H](CC(F)(F)F)c1ccccc1 56344936 AGSXEHBNGGATMD-AWEZNQCLSA-N 366.339 4.273 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 58010716 DIYYEUWUXRGHME-NSHDSACASA-N 365.886 4.294 0 40 FIAB O=C(CCSc1ccc(Br)cc1)Nc1ccc(F)cn1 60380951 OFIJITCQHGGQFC-UHFFFAOYSA-N 355.232 4.104 0 40 FIAB FC(F)(Cl)c1nnc2sc(-c3ccc4cccc(Cl)c4n3)nn12 61721289 DIXSGMNOHZBWGI-UHFFFAOYSA-N 372.187 4.343 0 40 FIAB Cc1cc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)no1 62292227 ZQPXRAFGBYSYQI-UHFFFAOYSA-N 369.490 4.402 0 40 FIAB c1ccc(CCCN2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 72377916 ZJTDBHAXBNQBJR-FQEVSTJZSA-N 373.504 4.427 0 40 FIAB O=C(NCc1ccc(-c2ccccc2)o1)N1CCO[C@H](c2ccccc2)C1 84562718 UJXDNBBYKKPRSO-NRFANRHFSA-N 362.429 4.230 0 40 FIAB Cc1nc(-c2ccco2)sc1CNC(=O)Cc1cn(C)c2ccccc12 90593414 SVWJFUMBHSQSEQ-UHFFFAOYSA-N 365.458 4.062 0 40 FIAB COc1cc([C@H](C)Nc2ccn(Cc3ccccc3)n2)cc(OC)c1OC 95462751 AJVACZIVSPXNQS-HNNXBMFYSA-N 367.449 4.130 0 40 FIAB CC(C)N1Cc2cccc(NC(=O)c3sccc3Br)c2C1 95464814 QOEUROZXAHYWEW-UHFFFAOYSA-N 365.296 4.487 0 40 FIAB O=C(NCC[C@H](O)c1cc2ccccc2o1)c1ccccc1C(F)(F)F 96097244 VBXBQBVVPHVTHU-HNNXBMFYSA-N 363.335 4.305 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cc(C(C)C)nc(N3CCCCC3)n2)cc1 96101112 BRUUKMOJZRAHAS-UHFFFAOYSA-N 366.465 4.045 0 40 FIAB Cc1cccc(N(C)C(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211476 JPTDINHMJIOQHO-UHFFFAOYSA-N 372.428 4.177 0 40 FIAB COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(C)cc2)C3)s1 100172312 CFQOQRHRNXQVGC-IRXDYDNUSA-N 369.486 4.394 0 40 FIAB Brc1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100236993 WWTQCEGKJIISHR-INIZCTEOSA-N 353.223 4.097 0 40 FIAB Cc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C 218812658 HEKCUFKVKNAPRV-UHFFFAOYSA-N 369.852 4.208 0 40 FIAB CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)cc1C 219232586 CSZFCTGBKBGTMH-NRFANRHFSA-N 364.489 4.307 0 40 FIAB CC1(C)C[C@H](NC(=O)CSCc2ccccc2F)c2ccccc2O1 222708877 AIRVKPUQMOAROT-KRWDZBQOSA-N 359.466 4.478 0 40 FIAB CCCOc1ccccc1CCCNC(=O)COc1cccc(C)c1C 222820607 ONVFGLLMNDQOIJ-UHFFFAOYSA-N 355.478 4.220 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)COc1ccccc1C 222969860 ZOVLKIOYAOWSJC-RTBURBONSA-N 355.478 4.353 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=O)COc1cc(C)ccc1C(C)C 223683051 BYTXSRYUQYLQKY-KRWDZBQOSA-N 371.477 4.090 0 40 FIAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)nc1 223930139 KNXPZKLRBMHGLY-UHFFFAOYSA-N 360.914 4.212 0 40 FIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1C 223944440 PBCSFSCXGXGFNX-GOSISDBHSA-N 355.478 4.389 0 40 FIAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1 225467636 WEYRUWOJQPPKEO-CYBMUJFWSA-N 367.474 4.300 0 40 FIAB COC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCCC1 225628580 NIIBXHKRIBCDFR-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225701923 PETFOARQHXKVGG-HNNXBMFYSA-N 367.445 4.148 0 40 FIAB O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 227632061 OCWDSBUMWJLWAD-FHLIZLRMSA-N 360.429 4.158 0 40 FIAB Cc1cc(-c2nccs2)nc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 257288201 PTHVFIMRKYADTO-CYBMUJFWSA-N 360.483 4.023 0 40 FIAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2F)c1 408614913 JRCQKGPYEGJZAP-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB Cc1ccc(CNC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 408618269 FKRGABPBULAZFY-UHFFFAOYSA-N 368.436 4.414 0 40 FIAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1O 408625486 DPCLUHSYTURPQO-VOTSOKGWSA-N 367.257 4.225 0 40 FIAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc4ccccc4c3)o2)cc1 408714216 LNJSGZMDESJQPM-UHFFFAOYSA-N 357.413 4.470 0 40 FIAB CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)C1=O 409021750 WVXARLHUJYOLTG-OQLLNIDSSA-N 357.387 4.090 0 40 FIAB CC1(C)CCc2cc(CC(=O)N3CCCC[C@H]3c3cccnc3)ccc2O1 524731920 PAZWXNAXZMZPGL-FQEVSTJZSA-N 364.489 4.482 0 40 FIAB biogenic COc1cc(Cl)cc(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)c1 550099420 RKLMGICUCUTQRB-UHFFFAOYSA-N 370.836 4.285 0 40 FIAB CC1(C)CC[C@@H](c2noc(C3(S(C)(=O)=O)CCCC3)n2)c2ccccc21 574863024 BPOXSJFEHGKPBX-OAHLLOKOSA-N 374.506 4.087 0 40 FIAB Clc1cncc(OC2CCN(c3cc(-c4ccccc4)ncn3)CC2)c1 1186881404 QIVYNTVSWSCZNU-UHFFFAOYSA-N 366.852 4.240 0 40 FIAB Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc12 629561 KCIYLAOSWYEYHQ-UHFFFAOYSA-N 363.442 4.111 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(C)c1 661069 HWPMPEZCYNZMLU-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)sc2c1 811260 YDZIAYNTWOBRDT-UHFFFAOYSA-N 374.487 4.434 0 40 FIAB CC(C)CCOC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 885212 BKIGWJWPWZKNDY-WHSGIHJSSA-N 366.457 4.474 0 40 FIAB CC(C)c1nc(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc2n1 1355976 IQSKWGUIHRDBQY-GASCZTMLSA-N 357.523 4.350 0 40 FIAB CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccco1 1364344 XMVXNPYHLHUKCE-UHFFFAOYSA-N 370.478 4.241 0 40 FIAB CSc1ccccc1NC(=O)CN1CCC(Cc2ccccc2)CC1 2664985 HQHTXOMIVDTVDT-UHFFFAOYSA-N 354.519 4.302 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1ccc2nc(SC)sc2c1 2726282 IBSJNXGANMDIRO-UHFFFAOYSA-N 374.487 4.434 0 40 FIAB Fc1cccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)c1 2914625 LAGFBBHYKOWLFK-CVEARBPZSA-N 373.229 4.326 0 40 FIAB CCOC(=O)COn1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc21 3063584 WMRFBMZJZSZQCA-UHFFFAOYSA-N 365.216 4.002 0 40 FIAB CCc1ccc(CN(C)CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3455769 RHXUESBSCKWYES-UHFFFAOYSA-N 350.384 4.338 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nc3c(C)cccc3s2)cc1OC 3558901 IFRLKTUYQFJZJF-CSKARUKUSA-N 354.431 4.274 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1 4174437 GMJMDKBGCXPFRD-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB CSc1nsc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1 4434163 KIPFCRWLZMXKED-UHFFFAOYSA-N 366.320 4.298 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 4585386 HJPJUMCHZCOCLT-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB CCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(Cl)cc1 4670738 MEVUQPCFMOQTLX-UHFFFAOYSA-N 370.276 4.053 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 4837927 VRBPCJNEUJVHER-UHFFFAOYSA-N 358.401 4.072 0 40 FIAB CCc1nn2c(NCc3cccnc3)cc(C)nc2c1-c1ccc(F)cc1 4930089 QSPOQUKXCWKYEC-UHFFFAOYSA-N 361.424 4.413 0 40 FIAB CSc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 5222797 VHRLWYCOJIGNCR-UHFFFAOYSA-N 360.504 4.090 0 40 FIAB C[C@@H](Sc1nnc(-c2cccnc2)o1)c1nnc(-c2cccs2)o1 5473656 MALPPVJKKCGVBG-SECBINFHSA-N 357.420 4.096 0 40 FIAB C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)c1nc2ccccc2c(=O)[nH]1 5640329 JYKKMFJUXVKWTB-NFOMZHRRSA-N 356.466 4.380 0 40 FIAB COc1ccc([S@](=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1C 5721616 JLTKVONZULWTDU-XMMPIXPASA-N 359.369 4.166 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3n2)c(C)c1 5848560 KWUHFTYVNXDWFA-MRXNPFEDSA-N 362.429 4.344 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 6510081 NYFPYMXXVDMQDJ-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB CC(C)c1ccccc1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 6633852 ZZEMYOFAUCZBHM-UHFFFAOYSA-N 372.774 4.283 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccc(C)c2)n1C 6653289 QMJXCBFJEHTWKU-UHFFFAOYSA-N 367.474 4.294 0 40 FIAB CC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)CN(C)C1CCCCC1 6832118 YAFONUONAMYSED-UHFFFAOYSA-N 373.522 4.319 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7724217 OTGGLDCIALFDSY-SFHVURJKSA-N 358.441 4.394 0 40 FIAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)o1 7885127 ZNGHKSPZKDSBFI-HXUWFJFHSA-N 362.385 4.083 0 40 FIAB CCCNC(=O)[C@@H](C)NCc1ccc(-c2cccc(Cl)c2Cl)o1 7985276 VGLRVZYIJZTIAY-LLVKDONJSA-N 355.265 4.258 0 40 FIAB CSc1ccc(CN(C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 8188184 VEAFCFXDONUIOT-SIKLNZKXSA-N 371.546 4.295 0 40 FIAB Cc1ccc(-c2csc3ncnc(S[C@@H]4C[C@@H](C)OC4=O)c23)cc1 8271082 JHRCTBRNKRCGBM-BXUZGUMPSA-N 356.472 4.463 0 40 FIAB O=C(NCc1cccs1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8277734 GHEFWOHAUVVWAX-IBGZPJMESA-N 363.438 4.132 0 40 FIAB O=C(COc1ccc(C2SCCS2)cc1)NC1CCCCCC1 8304178 QXAAVBXMUYEHNU-UHFFFAOYSA-N 351.537 4.383 0 40 FIAB Cc1ccccc1Nc1nnc(SCc2cc(C(=O)O)c(C)o2)s1 8721036 CPTIRCRVNNLTQW-UHFFFAOYSA-N 361.448 4.482 0 40 FIAB Cc1nc2c(=O)n(Cc3ccccc3C)nc(-c3ccc(F)cc3)c2s1 8955540 FWVKIAKRUDXJEH-UHFFFAOYSA-N 365.433 4.324 0 40 FIAB Cc1ccccc1[C@@H]1CC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C1 8992448 BQNAWKDCWXZCIS-KRWDZBQOSA-N 368.440 4.321 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1C 9137684 DWWCQOQZDPTKDD-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccccc3F)sc2c1 9140761 JZOKCBOZMFOYMJ-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB O=C1O[C@@H](C(=O)Nc2nc3c(ccc4ccccc43)s2)Cc2ccccc21 9313854 RLZABWRMUDVWJD-MRXNPFEDSA-N 374.421 4.170 0 40 FIAB Cc1ccc(C(=O)[C@H](Sc2nc3ncccn3n2)c2ccc(C)cc2)cc1 10073457 PJETWZVJUMWFPS-LJQANCHMSA-N 374.469 4.457 0 40 FIAB Cc1ccc(C(=O)CCC(=O)NCc2coc(-c3cccs3)n2)s1 10878604 DLOSJVJHRBLLKR-UHFFFAOYSA-N 360.460 4.052 0 40 FIAB COc1ccc(-c2n[nH]c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 12357680 VRJVHSRMDTVYKG-UHFFFAOYSA-N 354.406 4.087 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 12506571 PNTIGADMPXPPIB-MRXNPFEDSA-N 360.244 4.246 0 40 FIAB COc1cc(CNC(=O)/C=C/c2ccc(-c3ccccc3)s2)ccn1 12633004 IJJMHMMFYVBPMK-CSKARUKUSA-N 350.443 4.148 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC[C@H](C)C3)c12 13641948 LENVSJOOPZRRCK-LBPRGKRZSA-N 353.397 4.209 0 40 FIAB CC1(C)Cc2sc3c(=O)n(Cc4ccccc4Cl)cnc3c2CO1 13688065 UHLIEIUQFRPZPQ-UHFFFAOYSA-N 360.866 4.011 0 40 FIAB CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 14234638 OSIIFBKWFNZJEY-HNNXBMFYSA-N 374.444 4.268 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 14397326 KBMNOQXLAQUVNF-UHFFFAOYSA-N 374.868 4.276 0 40 FIAB O=C(CSc1nnnn1C1CCCCC1)C12CC3CC(CC(C3)C1)C2 16294829 JLRWVRIJDNUMGA-UHFFFAOYSA-N 360.527 4.056 0 40 FIAB CC(C)CNC(=O)Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1 16850154 CWFVEKXBSBTSMO-UHFFFAOYSA-N 373.400 4.100 0 40 FIAB COc1ccc2cc(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)[nH]c2c1 19563778 PYVNVJOLGKTVNA-HNNXBMFYSA-N 374.444 4.073 0 40 FIAB COc1ccccc1CN(Cc1cccnc1)C(=O)C1[C@H]2CCCC[C@@H]12 19569956 AWUPXPWPHACSGA-PMSBKCLSSA-N 350.462 4.055 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccccc2CC)c1 19932101 YAIWFRNOLLFFRV-OAHLLOKOSA-N 355.434 4.140 0 40 FIAB COc1ccc2cc([C@@H](C)C(=O)NCCc3ccc(F)cc3)ccc2c1 23055084 GTXZUGFVJFZEHU-OAHLLOKOSA-N 351.421 4.450 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCOc3ccccc32)c1)c1cccs1 24585784 SBWZQNHIWSDZSA-UHFFFAOYSA-N 364.426 4.040 0 40 FIAB Clc1cc(CSc2nnc(Cc3ccccc3)o2)cc2c1OCCO2 26041632 XBJNELVCDZBFHM-UHFFFAOYSA-N 374.849 4.377 0 40 FIAB COc1ccc(CN(C(=O)COc2cccc(C)c2)c2ccccn2)cc1 27991586 ZAMMLIFUSPVYLM-UHFFFAOYSA-N 362.429 4.011 0 40 FIAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@H]1c1ccc(F)cc1 32901271 IQAOXWARCHSBGB-FQEVSTJZSA-N 357.450 4.280 0 40 FIAB Cc1cc(C(=O)Nc2ccc(F)cc2)c2c(C)nn(Cc3ccccc3)c2n1 36615787 STHGLWITWJSUTC-UHFFFAOYSA-N 374.419 4.488 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N1CCC(C)CC1 39486889 KVQWNUPGCSUMLS-NRFANRHFSA-N 352.478 4.497 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)c(C)s1 40074219 VTFQPNOJJMXVCA-WBMJQRKESA-N 364.536 4.058 0 40 FIAB CC(C)[C@@H](CNC(=O)COCc1nc2ccccc2s1)c1ccccc1 40089103 KSZPKWJBHLAENO-QGZVFWFLSA-N 368.502 4.369 0 40 FIAB COc1cc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)ccc1C 40106725 CAYOMWQDCHFDFS-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB COc1ccccc1[C@@H]1CC(O)=Nc2c1ncn2-c1cc(F)cc(F)c1 40286497 NYLOIPJCLIYBHN-HNNXBMFYSA-N 355.344 4.283 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCCOc3cccc(C)c3C)no2)cc1 41156682 ABWSKSOSZWTKGT-UHFFFAOYSA-N 350.418 4.076 0 40 FIAB Cc1cccc(OCC(=O)NCCSCc2ccc(Cl)cc2)c1C 41303075 WCJNTUAPRYDFLG-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NCCSCc3ccco3)cc2)CC1 44786541 SLGMWBPJCLGXCB-UHFFFAOYSA-N 372.534 4.175 0 40 FIAB CCCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21 49002281 YLAUNNGRKZXMOR-UHFFFAOYSA-N 363.461 4.491 0 40 FIAB CCCNc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213233 ZHATVGNJCHYEBE-LJQANCHMSA-N 373.522 4.128 0 40 FIAB Cc1ccc([C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)s1 72311316 AOVGWZPZSRBNRP-CQSZACIVSA-N 365.458 4.446 0 40 FIAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CC2CCCC2)c1 72380336 NZPJPJUEZIOOBA-LJQANCHMSA-N 353.466 4.329 0 40 FIAB COc1ccc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)cn1 95479599 OQVFSBGMSHOMOE-MRXNPFEDSA-N 369.852 4.358 0 40 FIAB O=C(Cc1ccsc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 96103571 WMRHZEUSUIAHGV-UHFFFAOYSA-N 350.399 4.287 0 40 FIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=S)Nc1ccc(OCC)cc1)C2 100424162 ASKZNOIPHOZQED-QZTJIDSGSA-N 361.555 4.167 0 40 FIAB C[C@]12c3ccccc3[C@@](C)(c3c1ccc1ccccc31)[C@H](C(=O)O)[C@@H]2C(=O)O 101184814 HVVHKPSSUDYJIU-SHBJFUFKSA-N 372.420 4.180 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 103718038 GTSIGZBQYKJPJB-HNNXBMFYSA-N 356.853 4.455 0 40 FIAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214337779 AOXJJTVAGZDVCR-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC)c(OC)c3)N21 222646686 OQOJDEFNAWCCCX-NIKGAXFTSA-N 369.490 4.078 0 40 FIAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 222739678 OVUCKMQNCYHZLE-UHFFFAOYSA-N 370.518 4.395 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cccc(C)c1C 223945322 DRTLNXSRKVNTRP-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CCCc1ccc(OCCNC(=O)CCSCc2ccccc2)cc1 224278908 RBDKBVNLACPRJC-UHFFFAOYSA-N 357.519 4.458 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1 224591477 LNITZTMCMOHPGQ-SFHVURJKSA-N 368.546 4.221 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COCC(C)C 224738981 ROWKYDYHKBYXEN-UHFFFAOYSA-N 371.433 4.239 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSc1ccccc1 224897287 QAVPOLWERWSMCS-INIZCTEOSA-N 355.503 4.241 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 225473451 PWTFZPMCUSZNLX-ZDUSSCGKSA-N 360.454 4.358 0 40 FIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225650433 DOWNRSPLJKBICN-UWJYYQICSA-N 362.514 4.084 0 40 FIAB COc1ccc(SCCCNC(=S)Nc2cccc(F)c2)cc1 225802991 JYHDACJRGBDFTH-UHFFFAOYSA-N 350.484 4.303 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1cc2cccc(Cl)c2oc1=O 226040834 RXPAUIKJGVTBPT-CYBMUJFWSA-N 355.821 4.198 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cc(-c2ccc(C(=O)O)o2)ccc1C 226351039 YKLQDSYBFXRIGP-UHFFFAOYSA-N 374.462 4.347 0 40 FIAB CCCOc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)cc1 226763378 CUXKPGGFQLNTMN-UHFFFAOYSA-N 363.255 4.381 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)[C@H](Br)CBr 382728906 SPJXYFVUUHBXLV-MRVPVSSYSA-N 359.967 4.047 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 409233467 KQKWZAZQYAVXQZ-CPNJWEJPSA-N 358.397 4.348 0 40 FIAB Oc1nc2ccccc2cc1CN1CC=C(c2c[nH]c3ncccc23)CC1 506649108 PWHMJIZNXDUKLL-UHFFFAOYSA-N 356.429 4.106 0 40 FIAB CCN(C(=O)c1cccc(C(F)F)c1F)[C@H](C)[C@H](O)c1ccccc1 529407724 IHYBOZSUHWXXAE-PXAZEXFGSA-N 351.368 4.348 0 40 FIAB O=C(c1ccccc1Br)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585149127 ZMWUFWOWTGNDAT-HNNXBMFYSA-N 372.262 4.014 0 40 FIAB Cc1ccc(-c2nc(CC(=O)N3Cc4ccccc4OC[C@@H]3C)cs2)o1 679862898 UZKDRUDDTPHJJD-ZDUSSCGKSA-N 368.458 4.064 0 40 FIAB O=C(c1ccc2cccnc2c1)N1CCO[C@@H](c2ccccc2Cl)C1 1628739945 LCKGQOJRERKSPN-LJQANCHMSA-N 352.821 4.102 0 40 FIAB O=S(=O)(c1cccc(OC(F)F)c1)N1CCC[C@H](C2CCCCC2)C1 1656161494 FGXGDUBXNQFZGI-HNNXBMFYSA-N 373.465 4.269 0 40 FIAB Cc1ccc(NC(=O)Oc2ccccn2)cc1NC(=O)Oc1ccccn1 640672 YLRPMMFPXMXHRD-UHFFFAOYSA-N 364.361 4.007 0 40 FIAB COc1ccc([C@H]2CC(=O)n3nc(-c4ccc(Cl)cc4)nc3S2)cc1 935548 RHDYEWQHKIKGIE-OAHLLOKOSA-N 371.849 4.484 0 40 FIAB CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1ccccc1 988026 IAQSAORYOACSGK-UHFFFAOYSA-N 369.218 4.068 0 40 FIAB aggregator CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(F)cc2F)c1 1004673 HLERDNHOTVYMGD-UHFFFAOYSA-N 364.417 4.126 0 40 FIAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2c(c3ccccc3oc2=O)O1 1427557 OCSZVVVFWWLWHB-ZDUSSCGKSA-N 360.287 4.253 0 40 FIAB O=C(NCCOc1ccccc1F)c1ccc(Oc2ccccc2)cc1 3085322 MBMOTFONXSQDRW-UHFFFAOYSA-N 351.377 4.427 0 40 FIAB CCN(C(=O)CSc1nnc2ccccn12)c1cccc2ccccc12 3297121 LEUXOZKYBUTEKZ-UHFFFAOYSA-N 362.458 4.028 0 40 FIAB CCC(=O)c1ccc(OCCOCCOc2ccc(C(=O)CC)cc2)cc1 3388049 DXLILJSBDCNHNT-UHFFFAOYSA-N 370.445 4.346 0 40 FIAB CCc1cc(=O)oc2cc(OC(=O)COc3ccc4ccccc4c3)ccc12 3459349 QAHNZPHWJDEEMB-UHFFFAOYSA-N 374.392 4.493 0 40 FIAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c1 3521401 ZMEJFPKIYYHADX-CQSZACIVSA-N 367.445 4.371 0 40 FIAB COc1cc2ccnc(-c3c[nH]c4cc(OC)c(OC)cc34)c2cc1OC 4520631 XEKLURIWFBUGNS-UHFFFAOYSA-N 364.401 4.418 0 40 FIAB O=C1CS[C@@H](c2ccc(F)cc2)c2c(O)nn(C3CCCCC3)c2N1 4717462 ZJYQUPOXFJPUHC-INIZCTEOSA-N 361.442 4.008 0 40 FIAB CC(C)Cn1c(SCC(=O)C(C)(C)C)nc2ccc(Cl)cc2c1=O 4779369 AJOQUCLCXHNWLM-UHFFFAOYSA-N 366.914 4.413 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 5373567 GGVUBRCUXWBOKB-UHFFFAOYSA-N 352.434 4.025 0 40 FIAB Cc1cc(C)n2nc(SCc3cnc(-c4ccccc4)s3)nc2n1 5825547 AYNKOYZUXBVNPF-UHFFFAOYSA-N 353.476 4.157 0 40 FIAB O=S(=O)(Nc1ccc2ccccc2c1)c1ccccc1Br 5885565 HXOYMVCNCLPQSO-UHFFFAOYSA-N 362.248 4.403 0 40 FIAB CC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 6116531 OFFICISTRSUNPL-CQSZACIVSA-N 364.445 4.447 0 40 FIAB CCCOc1ccnc(SCC(=O)c2ccc(Br)cc2)n1 6204752 VVWAVDGQKAZHOY-UHFFFAOYSA-N 367.268 4.003 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)OCC(=O)c1ccc(Cl)s1 6559001 FZCCTJHYWSKNMG-JXMROGBWSA-N 357.818 4.389 0 40 FIAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2c(F)cccc2F)CC1 7006637 YCZZZBXOWZBVJW-UHFFFAOYSA-N 353.409 4.299 0 40 FIAB COc1cc(OC)cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 7112861 AWCCKZUNMHPSRI-HXUWFJFHSA-N 364.401 4.064 0 40 FIAB C[C@H](NC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(Cl)cc1 7966137 YNZFFODOXFQVFY-SMDDNHRTSA-N 350.245 4.422 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1 8395532 IQEWZLOEMIFMJX-MRXNPFEDSA-N 364.367 4.099 0 40 FIAB COc1cccc(OC)c1OCCCCN1CCCC[C@@H]1c1cccnc1 8739613 APOOIRABIOCBJH-LJQANCHMSA-N 370.493 4.485 0 40 FIAB biogenic CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3F)ccc21 8958891 ZWXRMVBGAQVAJB-UHFFFAOYSA-N 370.424 4.240 0 40 FIAB O=C(COC(=O)CC1CCCC1)Nc1ccc(OC(F)F)c(Cl)c1 9048694 RUIGPVJMQZEUNW-UHFFFAOYSA-N 361.772 4.003 0 40 FIAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl 9142115 IDBWBGYUOJQEAR-SECBINFHSA-N 362.882 4.186 0 40 FIAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1ccccc1O2 9827806 DBVFSMFHPUZYDL-UHFFFAOYSA-N 374.396 4.330 0 40 FIAB COc1cccc(-n2ccnc2SCCOc2ccccc2C(C)=O)c1 11198918 XVPAFBAZPWGBLF-UHFFFAOYSA-N 368.458 4.255 0 40 FIAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1 11437053 PUDJQBQOMFZULQ-UHFFFAOYSA-N 357.460 4.472 0 40 FIAB COC(=O)c1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c(C)c1 12527849 LZZBMDSLUMRYQV-UHFFFAOYSA-N 362.429 4.128 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)c1cc(Br)ccc1Cl 12546597 AEXVTSUMPHPMNA-UHFFFAOYSA-N 350.603 4.231 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)Nc3cc(F)ccc3F)cs2)cc1 12599371 QQFHBYJBCIUXJQ-UHFFFAOYSA-N 374.412 4.490 0 40 FIAB CCc1nnc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)s1 12776215 DDICWKNRXBYQSK-YOGCLGLASA-N 369.581 4.042 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)Cc2ccccc2)cs1 12815826 OJQOYOJIQOGCNX-UHFFFAOYSA-N 370.499 4.011 0 40 FIAB Nc1nc(COC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc12 18264919 GXUJZAHBQRJDBT-UHFFFAOYSA-N 369.424 4.165 0 40 FIAB C[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)c1ccccc1 19425908 NTBMQMCVYOLUDL-CQSZACIVSA-N 369.417 4.462 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(=O)OC)c1C 20107697 YQGAVBVQSHOOCB-SFHVURJKSA-N 355.434 4.195 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc(F)cc2)c(CC(=O)O)s1 21005996 DOEFHOXIFDEZCF-UHFFFAOYSA-N 358.394 4.329 0 40 FIAB CCC(=O)N1CCCc2cc(NC(=O)Nc3cccc(OC)c3)ccc21 22504669 AJTWZQAHTWKHCM-UHFFFAOYSA-N 353.422 4.028 0 40 FIAB COc1ccc2cc(CNC[C@H](c3ccco3)N3CCCC3)ccc2c1 22928630 JVWTTZPFDHKBOF-OAQYLSRUSA-N 350.462 4.368 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc2c3c(cccc13)CC2 24871975 UQZGTZOPLWGQEG-UHFFFAOYSA-N 359.425 4.281 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Br)cc1 28303599 KPPBYLYZYNDRSQ-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB C[C@@H](Sc1ccc(F)c(Cl)c1)C(=O)NC(=O)Nc1ccccc1 29444249 LTQFDZHSVRUHQA-SNVBAGLBSA-N 352.818 4.308 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccc4nsnc4c3)no2)cc1C 35671132 RMCHJSQQNOQEMF-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 44847611 HPOWOJHEMMWOOU-LBPRGKRZSA-N 358.290 4.482 0 40 FIAB Cn1c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2ccccc21 54665958 KPVMVPPUAHNDAE-IBGZPJMESA-N 351.425 4.009 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1CCCC[C@H]1C(F)(F)F 57142946 XJSDCZATCBJUDR-ZIAGYGMSSA-N 352.356 4.327 0 40 FIAB CCOc1ccccc1NCC(=O)N1CC[C@@H](C)Sc2ccccc21 57688618 IQKQRGXHIMYMOH-OAHLLOKOSA-N 356.491 4.415 0 40 FIAB Cc1cc(C)n(CC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)n1 59307831 ACDMNZUVJQSTGD-UHFFFAOYSA-N 358.461 4.047 0 40 FIAB CC[C@@H](Oc1ccccc1)c1nn2c(CN3CCCCCC3)nnc2s1 71260608 YSRGWZSQGSRVNI-MRXNPFEDSA-N 371.510 4.092 0 40 FIAB Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)n2C(C)C)n1 72191795 XAWDAAWOWMLSRU-UHFFFAOYSA-N 373.507 4.022 0 40 FIAB C[C@H]1CN(C(=O)c2ccc3[nH]c(=S)oc3c2)C[C@H](c2ccccc2)O1 72289352 MKPJZKCXKKGNQF-YVEFUNNKSA-N 354.431 4.093 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(C1CCCC1)C(=O)O3 72396593 SNYJBCJSLGOAHZ-UHFFFAOYSA-N 366.396 4.125 0 40 FIAB CN(c1ccccc1)c1ccccc1C(=O)OCc1ncc(Cl)n1C 84303885 YQOVSHXFVZXYCR-UHFFFAOYSA-N 355.825 4.198 0 40 FIAB CCOC(=O)[C@]1(C(F)(F)F)N=C(C(F)(F)F)Nc2cc(C)c(C)cc21 84460065 JTHPEOLIMNPVGT-CYBMUJFWSA-N 368.277 4.010 0 40 FIAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1n[nH]c(=S)n1C 85400140 DEGULNNWCJGILG-GFCCVEGCSA-N 373.309 4.302 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2ccccn2)CC1 85556930 YRMLZOMTPNIQEO-UHFFFAOYSA-N 365.355 4.176 0 40 FIAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C 89505744 DKNKBEGMDURAME-VBKZILBWSA-N 353.510 4.045 0 40 FIAB O=S(=O)(Nc1cccc2ccc(O)cc12)c1ccc(Cl)cc1F 95431811 OQIUTYFTDMHJAQ-UHFFFAOYSA-N 351.786 4.139 0 40 FIAB O=C(CCSc1ccccc1)NCc1nc(-c2ccccc2Cl)no1 95481671 LBQXIRAKOYCAPB-UHFFFAOYSA-N 373.865 4.189 0 40 FIAB CC(C)(CN1CCCCC1)CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100763498 HUVFVNHPKPNYQK-RTBURBONSA-N 374.544 4.152 0 40 FIAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4Cl)cc1c32 101078624 RHEWRSVZMORIHX-JTQLQIEISA-N 358.800 4.128 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102086439 DCYXTQSPAOVLME-MMQJMDILSA-N 358.482 4.433 0 40 FIAB FC(F)(F)c1ccnn1-c1cccc(-c2nc(-c3ccccn3)no2)c1 109502749 CMPLDPUCUPXOCJ-UHFFFAOYSA-N 357.295 4.003 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCOC3CCCCC3)cc2)n1 139657002 KYGOHVMWZUEGDJ-UHFFFAOYSA-N 369.509 4.017 0 40 FIAB Cc1nc(C)c(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)s1 151626422 LUAWHXVRXRGXCB-KRWDZBQOSA-N 356.491 4.418 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NCc1cncc(-c2ccsc2)c1 206946900 WJGXPMOJJJEDON-UHFFFAOYSA-N 360.841 4.462 0 40 FIAB CCc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 223291100 AWXYKALRHONURY-IBGZPJMESA-N 353.462 4.219 0 40 FIAB CCc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2)cc1 223406753 BTGSRGJZWOPUNY-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2cccc(C)c2)c2ccccc2O1 224597807 JWNUAFYFVNBYSO-LJQANCHMSA-N 373.518 4.497 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCc1ccc(Cl)cc1 225094455 CWSHZQIXDIMERG-OAHLLOKOSA-N 357.881 4.345 0 40 FIAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCC(C)(C)C)ccc32)c1 226092031 YMXYHWMMXPDDCE-UHFFFAOYSA-N 364.489 4.364 0 40 FIAB COc1ccc(Cc2cnc([C@@H]3CCCN3Cc3cncs3)o2)cc1 257258452 KTXPAMPCPPTWSL-SFHVURJKSA-N 355.463 4.068 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](c3cnccn3)C2)cc1 257296384 RCORKHQPTCYODW-LJQANCHMSA-N 373.456 4.221 0 40 FIAB CCc1noc2ncc(C(=O)NCc3ccccc3OC3CCCC3)cc12 516438832 NVHMQQDYTVIJEU-UHFFFAOYSA-N 365.433 4.037 0 40 FIAB CC(C)c1ccc(-c2cc(=O)c3cc(NC4=CC(=O)NC4)ccc3o2)cc1 524731214 OEJRWWJGCAAXMH-UHFFFAOYSA-N 360.413 4.009 0 40 FIAB biogenic O=C1Nc2cc(Cl)ccc2C([C@@H]2CCCOC2)=N[C@@H]1Cc1ccccc1 1615058776 WRYNJYJHYNINRP-DNVCBOLYSA-N 368.864 4.119 0 40 FIAB Cc1cc(N)nc(SCCCCOc2ccc(Br)cc2)n1 1640766179 NYEZPBLPYSOCHB-UHFFFAOYSA-N 368.300 4.081 0 40 FIAB Cc1ccc(-c2nn3c(CSCCc4ccccc4)nnc3s2)cn1 1772491199 LIFAUDQRMWZHLA-UHFFFAOYSA-N 367.503 4.032 0 40 FIAB Cc1nc(C)c(CN2CCC[C@H](COc3ncccc3Cl)C2)s1 2298192544 OCHFVKMLTVNHDK-AWEZNQCLSA-N 351.903 4.099 0 40 FIAB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 672845 ZUXWODGPAFDQDS-YGNAEDSMSA-N 354.475 4.014 0 40 FIAB O=S(=O)(NCc1ccccc1)c1cc(Cl)c(Cl)cc1Cl 855887 LKBQRBKMICACMR-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB O=C(Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1)C1CCCCC1 911949 UCSDZRQWTKEKAG-UHFFFAOYSA-N 371.506 4.441 0 40 FIAB O=C(COC(=O)CCc1ccccc1)Nc1cc(Cl)ccc1Cl 952118 JIBZRWFMZNDXNB-UHFFFAOYSA-N 352.217 4.108 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 1199290 KRXHDKYXIDHSTN-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB CC(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 1284158 KHZSVPQIRWJHMY-GFCCVEGCSA-N 356.491 4.348 0 40 FIAB O=C(c1ccccc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363907 VVKWQAVOHBADKM-INIZCTEOSA-N 367.836 4.410 0 40 FIAB COc1ccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1OC 2399544 YMZISSAMNUYIDY-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB CCOc1cc(C=O)c(Br)c(Br)c1OC(C)C 2766987 KKXRHLZNMPHMKJ-UHFFFAOYSA-N 366.049 4.210 0 40 FIAB CCOc1cc(/C=C2/SC(=S)N=C2O)cc(Br)c1OC 2855121 DJKXWNHRSJDIDW-UXBLZVDNSA-N 374.281 4.186 0 40 FIAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 3370128 XLXZTYCWVMQLLH-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)o2)c(C)c1 3602719 LRXKCTDHIHXHPF-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CCc1nnc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)s1 4125529 YCXIZZCBGJKBGK-UHFFFAOYSA-N 369.475 4.006 0 40 FIAB CCc1cc2cc(OC)ccc2nc1SCC(=O)NCc1ccccc1 4849340 RPMFONCPETUNTM-UHFFFAOYSA-N 366.486 4.214 0 40 FIAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)n2ncnc2N1 4875886 YEALNUGCLYQSFE-KRWDZBQOSA-N 372.856 4.096 0 40 FIAB Cc1cc(C)cc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 5583705 FDJNUWSLBNUDTK-UHFFFAOYSA-N 358.445 4.251 0 40 FIAB COc1cccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1OC 6409641 NUGAFEYWJCYUQD-BMLIUANNSA-N 358.463 4.319 0 40 FIAB O=C1CN(C(=O)Cc2coc3ccc4ccccc4c23)c2ccccc2N1 6561003 WWDLJGHYWAHFJB-UHFFFAOYSA-N 356.381 4.114 0 40 FIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCc2ccccc2C1 6667937 XIXMPMRIUBDJKA-UHFFFAOYSA-N 356.274 4.049 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 6747686 JDBXFVQQIPNJGP-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB COC(=O)c1cn([C@@H](C)C(=O)Nc2ccc(C)cc2C)c2ccccc12 6964553 BBRKUHXEKWHASG-HNNXBMFYSA-N 350.418 4.244 0 40 FIAB CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc1 7113340 ZBBMSJOXHGGMPC-MRXNPFEDSA-N 350.340 4.214 0 40 FIAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)NC(c1ccccc1)c1ccccc1 7221252 PKBFTIAABIDLBP-MRXNPFEDSA-N 374.440 4.122 0 40 FIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 7266280 RNQYWXPCABXUJP-MRXNPFEDSA-N 370.493 4.286 0 40 FIAB COc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1F 7274074 WIGYBGLCKXKRKH-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB COCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 7525635 FQLIBCIAXBBARW-QGZVFWFLSA-N 366.486 4.463 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)/C=C/c1ccccc1 7689253 FNZPHRUWVCHSHP-XTZCOPOCSA-N 358.488 4.290 0 40 FIAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882470 YMZADOFZFQLJJF-KRWDZBQOSA-N 374.440 4.230 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1CN(C)C 7941766 FHVJEIUXOMAVIO-UHFFFAOYSA-N 371.531 4.172 0 40 FIAB CCc1s/c(=N\C(=O)c2ccccc2F)n(C)c1-c1ccc(F)cc1 8080549 WVUGCJVFWRIAKV-QOCHGBHMSA-N 358.413 4.335 0 40 FIAB CCc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 8086221 FZLDICXKYDUPJA-UHFFFAOYSA-N 353.447 4.382 0 40 FIAB C[C@@H](O)CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 8177661 RVMBOKLYWGIXJH-CYBMUJFWSA-N 362.458 4.213 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NCC3CCCCC3)n2)cc1 8393877 NYLVJTXYPYIHQZ-CQSZACIVSA-N 372.538 4.211 0 40 FIAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1C1CCCC1 8720928 GXFQLMUVXZYGFO-NRFANRHFSA-N 358.445 4.381 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(CCC(=O)NCC(C)C)cc2)cc1C 8908449 CJNQRBXTYWJFLM-UHFFFAOYSA-N 352.478 4.261 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 9690199 CHJYKUJFQVQGLU-UHFFFAOYSA-N 356.853 4.147 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 10313791 IYDMDWLBHPGLPE-UHFFFAOYSA-N 363.288 4.193 0 40 FIAB O=C(CNC(=O)c1ccco1)Nc1ccc(Oc2ccccc2Cl)cc1 11513060 BZDBQCNXUIDVLT-UHFFFAOYSA-N 370.792 4.094 0 40 FIAB CCOc1ccccc1C(=O)N(Cc1ccc(F)cc1)c1ccccn1 11915860 MRBHUIXCEITFNV-UHFFFAOYSA-N 350.393 4.466 0 40 FIAB COc1cccc(-c2ocnc2C(=O)N[C@H](C)CCc2ccccc2)c1 12144665 PHGHRIYSVYDHBA-OAHLLOKOSA-N 350.418 4.101 0 40 FIAB COc1ccc(Oc2coc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1 12442532 LMODTNVTETXMHQ-UHFFFAOYSA-N 367.401 4.154 0 40 FIAB biogenic COc1ccc([C@H]2CCCN2Cc2nc(-c3ccc(F)cc3)no2)cc1 12755494 AKRPZBFXYMBAPS-GOSISDBHSA-N 353.397 4.221 0 40 FIAB C[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)NC(=O)c1ccccc1 12935792 HZBWRDNQXUOSRU-LLVKDONJSA-N 351.233 4.141 0 40 FIAB CC(C)[C@H](O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2 13946023 TVYIINSEZLQBTR-SFHVURJKSA-N 361.825 4.053 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1SC(F)F 14023420 PEFSXAGLBQRCSW-UHFFFAOYSA-N 366.389 4.221 0 40 FIAB Cc1cc(/C=C/C(=O)OCc2cccc(F)c2)c(C)n1-c1nccs1 14074831 IKUUPCMMMNFOGV-VOTSOKGWSA-N 356.422 4.446 0 40 FIAB COc1cc(OC)cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1 14349182 IRTZYZZTBCJMFB-UHFFFAOYSA-N 362.429 4.115 0 40 FIAB N[C@@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957636 SGHXFHRRWFLILP-RRFGBZISSA-N 370.456 4.077 0 40 FIAB O=C(OC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 16477817 HQLGKXQVIAUCIS-FQEVSTJZSA-N 371.436 4.372 0 40 FIAB OC1(c2ccccc2F)CCN(Cc2c(C3CC3)[nH]c3ncccc23)CC1 19347963 TZWUZHSRTLWDNJ-UHFFFAOYSA-N 365.452 4.063 0 40 FIAB COc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1OC 19561243 AOSPIRDVFZZSIV-OAHLLOKOSA-N 360.504 4.295 0 40 FIAB O=C(CCc1cccnc1)N1CCCC[C@H]1c1nc2ccccc2s1 24386092 KQHPCIRGFWCGOG-KRWDZBQOSA-N 351.475 4.378 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)NCCc1cccs1 25072752 HWINQPKNMAUCDO-UHFFFAOYSA-N 357.523 4.123 0 40 FIAB O=S(=O)(Nc1ccccc1N1CCc2ccccc2C1)c1cccs1 26546967 YJINHAXZHUCCAI-UHFFFAOYSA-N 370.499 4.112 0 40 FIAB CC(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 30752773 OYILRDRGWNWIIZ-UHFFFAOYSA-N 366.870 4.087 0 40 FIAB Cc1ccsc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(Cl)nn1 36352805 XAZOEADPILFGET-SNVBAGLBSA-N 359.842 4.118 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)Nc2cccc(Br)c2)cc1 38833967 HUUWWEGNKGYHEM-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB COc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 40140091 SSYPINBTYUDFTQ-UHFFFAOYSA-N 361.445 4.402 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCCC2=O)cc1 44844676 IGKMLIZONIPGHC-UHFFFAOYSA-N 350.462 4.186 0 40 FIAB CC1(C)N=C(c2cccc(Cl)c2)C(=S)N1C(=O)c1cccc(F)c1 45933202 PWXLAVCDSAJTCS-UHFFFAOYSA-N 360.841 4.488 0 40 FIAB CSc1ccc([C@H](C)NC(=O)C[C@](O)(c2ccco2)C(F)(F)F)cc1 48355717 WUVHOFGUBAHHIO-ZBEGNZNMSA-N 373.396 4.019 0 40 FIAB Cc1cccc(C2(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CC2)c1 50382059 CMTMUQUHIQCRLX-UHFFFAOYSA-N 364.489 4.360 0 40 FIAB CCCCN(C)C(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487278 MLOHUDQSPAATGT-UHFFFAOYSA-N 372.856 4.117 0 40 FIAB O=C(NCc1nccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58380427 AMXGPOMBIBHWAL-UHFFFAOYSA-N 354.275 4.111 0 40 FIAB CS(=O)(=O)Nc1cc(C(=O)Nc2cccc3ccccc23)ccc1Cl 61367926 QJCGPLGICDNHGP-UHFFFAOYSA-N 374.849 4.117 0 40 FIAB Fc1ccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)c(Cl)c1 71761772 OYGCMPWFCHUOGA-UHFFFAOYSA-N 365.861 4.125 0 40 FIAB C[C@@](O)(CNC(=O)c1ccccc1Nc1ccccc1)c1cccs1 76018951 IWLAOOFPCPDPAI-HXUWFJFHSA-N 352.459 4.129 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1cnc(Oc2ccccc2F)nc1 77101357 OHYYWEUHRALKLU-UHFFFAOYSA-N 373.771 4.079 0 40 FIAB CC1=NN(c2ccc(C(=O)Nc3cc(Cl)ccc3N(C)C)cc2)CC1 95381708 ZAPROXQKXOOFAZ-UHFFFAOYSA-N 356.857 4.244 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1cnc(-c2ccccc2)s1)c1ccsc1 95454277 GUPKYCJEUCKJDY-OAHLLOKOSA-N 372.519 4.296 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC=C(c2cccnc2)CC1 95454754 ATABXASPALOBED-HNNXBMFYSA-N 355.869 4.160 0 40 FIAB CC(C)n1cc(CCCC(=O)NCCc2nccs2)c2ccccc21 95476346 QFRYIFFBNYXMEK-UHFFFAOYSA-N 355.507 4.360 0 40 FIAB CC(=O)O[C@@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100227153 CIRUKACHYPJCFT-WDZBIPAOSA-N 358.863 4.154 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccccc1F 101183368 BAEOPDQVJBHQSO-KUHUBIRLSA-N 358.438 4.159 0 40 FIAB C[C@H]1[C@@H](OC(=O)COc2cccc(NC(=O)C3CC3)c2)C[C@H]2C[C@H]1C2(C)C 102595714 MRWXYYIEMJFQBF-LRHNDGHRSA-N 371.477 4.028 0 40 FIAB O=C(NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1cc(=O)c2ccccc2o1 102898011 HKLRTCHZKYCAKE-RKOMNEFPSA-N 371.864 4.101 0 40 FIAB O=C(OCc1ccc(Cl)cc1)c1cccc(I)c1 107748482 YCSGIECCXIUJNM-UHFFFAOYSA-N 372.589 4.302 0 40 FIAB C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccccc1 219449856 HTPNURIDEJMUKV-INIZCTEOSA-N 358.441 4.458 0 40 FIAB COC(=O)c1cn(C(=O)COc2cc(C)cc(C)c2C)c2ccccc12 222611156 IBSJWPFERHUPKR-UHFFFAOYSA-N 351.402 4.072 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(C)c(C)c3)s2)cc1 223199269 YOIZNMTZCMXMIX-UHFFFAOYSA-N 353.447 4.012 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1C 223544750 FSSDYDYYRPATCL-GFCCVEGCSA-N 351.497 4.061 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)ccc21 225111698 APEZDIRLIBJKAL-CQSZACIVSA-N 370.474 4.106 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225167549 SOZXLIRTUYLVML-QZTJIDSGSA-N 351.490 4.470 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)Nc1ccccc1OC)CC(C)(C)O2 225769598 GBCFZPLVHLFXGO-MRXNPFEDSA-N 356.422 4.128 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)ccc2c1 225775376 WFLZMDLUPLCHDZ-OAQYLSRUSA-N 367.470 4.204 0 40 FIAB O=C(CCc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1 225824207 XAONMQXXFJESKJ-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2c(Br)cc(N)cc2Br)C1 226300920 QGYOXUYFOQRDFY-DTORHVGOSA-N 362.109 4.276 0 40 FIAB O=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257254060 KBJRDNCQRKZEAM-INIZCTEOSA-N 371.437 4.228 0 40 FIAB Cc1c(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)nnn1CC1CCCC1 329909675 VFGRTCCQLIOTNF-AIGDTVQASA-N 364.493 4.095 0 40 FIAB CCC[C@@H](C)NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408675562 ITWFYSQUUNZPSA-OAHLLOKOSA-N 364.445 4.102 0 40 FIAB CC[C@H](C)N(C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 575421028 MAFLQVRDBZMBBE-PXNSSMCTSA-N 357.519 4.064 0 40 FIAB c1cc(COCC[C@H]2CCOC23CCN(CC2CCCC2)CC3)ccn1 585105514 YSSVDNACMYAPII-NRFANRHFSA-N 358.526 4.050 0 40 FIAB COCc1csc(NC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)n1 626411857 BGLWHYGCRLKONV-CQSZACIVSA-N 351.859 4.142 0 40 FIAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1185853379 FOSYCPCVHJCVDC-INIZCTEOSA-N 356.274 4.268 0 40 FIAB CCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)cc1 1505840628 INVPBCICZDFZKD-UHYCVJNDSA-N 374.525 4.381 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 1615126694 MUUZEZIGWNLGJF-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB CC(C)CCOc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 1651130320 IMEPSURHUWHVDE-GOSISDBHSA-N 370.468 4.146 0 40 FIAB COc1cccc2cc(C(=O)N3CCS[C@@H]3c3ccccc3F)oc12 1775966594 NRKFOGNYVHXAHQ-LJQANCHMSA-N 357.406 4.468 0 40 FIAB COc1ccc(C)c2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888914049 NCMYNIZXACUHTM-UHFFFAOYSA-N 370.478 4.258 0 40 FIAB O=C1C[C@@](/C=C/c2ccccc2)(C(=O)NC2CCCCC2)N1c1ccccc1 800277 AOIGFRCRSRUIGA-JOPBRCQMSA-N 374.484 4.324 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C)c(C)c1 812055 PWSOWLVLAZLDAO-UHFFFAOYSA-N 364.401 4.410 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3C)n2C)cc1 917779 ODXBTDRXWDMLGQ-UHFFFAOYSA-N 367.474 4.083 0 40 FIAB Cc1ccc(C)c(N(C(=O)CC(C)(C)C)S(=O)(=O)c2ccccc2)c1 938793 VJMJVIQACICMNA-UHFFFAOYSA-N 359.491 4.462 0 40 FIAB COc1ccccc1NC(=O)c1sc2nc(C(F)F)cc(C)c2c1N 1002800 DVXCLMRBOVDQBT-UHFFFAOYSA-N 363.389 4.385 0 40 FIAB COc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 1095882 BJKGTOVCEIPUKV-UHFFFAOYSA-N 352.253 4.189 0 40 FIAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)c1 1377861 RANWOBBCXMYUCK-YQQQUEKLSA-N 354.519 4.372 0 40 FIAB C[C@H]1C(=O)N(Cc2cccc(F)c2)c2ccccc2N1C(=O)c1ccccc1 1381834 VGFCLKMLUAYMLY-INIZCTEOSA-N 374.415 4.408 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 1936076 OZAOJLVMESNORJ-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB CCCCCCNC(=O)c1c(N)n(CCCC)c2nc3ccccc3nc12 2196557 CGZCKCPQKWQEJF-UHFFFAOYSA-N 367.497 4.277 0 40 FIAB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccco1 2236081 ZJBYMJSDTDTMKG-UHFFFAOYSA-N 363.398 4.215 0 40 FIAB CCn1nc(NC(=O)c2cccc(OC)c2)c2cc3ccc(C)cc3nc21 2400023 KOERRALKFRSZQF-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB O=C(CCC(=O)c1cccs1)NCC1(N2CCCCC2)CCCCC1 3324977 SGLOIQHABUDTRO-UHFFFAOYSA-N 362.539 4.016 0 40 FIAB CC(C)c1ccccc1NC(=S)NCCc1ccc2c(c1)OCCO2 3409972 LVZCVSZNYKODDB-UHFFFAOYSA-N 356.491 4.110 0 40 FIAB CCSc1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 3592211 ZWGYYKGJYIXMLC-UHFFFAOYSA-N 371.487 4.481 0 40 FIAB CCOc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3CC)C2=O)cc1 3953620 PLLYOIBZXKSUPA-UHFFFAOYSA-N 370.836 4.083 0 40 FIAB O=C(c1ccncc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 4131487 OHOCTXCSWJOYOO-QGZVFWFLSA-N 351.406 4.274 0 40 FIAB Cc1ccc(-c2nsc(SCC(=O)N3CCc4ccccc43)n2)cc1 4167321 MKTOTIRCJJBEJI-UHFFFAOYSA-N 367.499 4.195 0 40 FIAB Cc1ccc(Cl)c2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12 4264289 ZIEYMMUGWUEAPA-UHFFFAOYSA-N 360.822 4.282 0 40 FIAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cc(Cl)cc(Cl)c1 4771621 QADZKHDKMWRSJX-UHFFFAOYSA-N 371.220 4.148 0 40 FIAB CC[C@H]1CO[C@@](O)(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 4792087 SZEDYAYEVMUROK-BZSNNMDCSA-N 352.261 4.278 0 40 FIAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)c1 4854285 MBVKDUSEHOWUAT-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB O=C(NCC1CCCCC1)C1CCN(c2nc3ccccc3s2)CC1 4965338 UFEWJTYXOCWGDC-UHFFFAOYSA-N 357.523 4.209 0 40 FIAB COc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 4966506 AIUWOSMNPVLRKA-UHFFFAOYSA-N 352.459 4.325 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(C)c3)n2)cc1 5180056 ZTGWXFPQEWEWDM-AWEZNQCLSA-N 366.490 4.462 0 40 FIAB CCc1ccccc1NC(=O)CNc1ncnc2sc3c(c12)CCCC3 6627227 DIERATBVLCUTNF-UHFFFAOYSA-N 366.490 4.183 0 40 FIAB COc1ccccc1-n1c(SC[C@H]2CCCO2)nnc1-c1cccs1 6975491 PBZGPQXOEDPKGX-CYBMUJFWSA-N 373.503 4.276 0 40 FIAB COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1Br 7008931 JIAQNFWWYDJEAL-IFRROFPPSA-N 374.160 4.318 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1cccs1 7356988 SRDJFOYGKCHFPY-LLVKDONJSA-N 357.306 4.364 0 40 FIAB O=C(/C=C/c1c(F)cccc1Cl)NCc1ccc(CN2CCCC2)cc1 8430575 SXGVQPTZTBELEW-ZHACJKMWSA-N 372.871 4.405 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 8493167 MLQBJTKUGATIDT-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1cc(-c2ccco2)on1 8559152 RSPYZODNOPLMCG-UHFFFAOYSA-N 350.330 4.255 0 40 FIAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccccc1F 8748316 OZDBVHQNKPHUHU-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCC(C)C 8771739 POWCSAAAXOTEHK-UHFFFAOYSA-N 366.874 4.135 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@@H](O)C[C@]1(CCC[C@H](C)C1)O2 8879241 QUENKKPOINSKLX-BPGAAWKESA-N 354.446 4.355 0 40 FIAB CC1=C(C)[C@H](c2c[nH]c3ccccc23)N(Cc2ccc3c(c2)OCO3)C1=O 9668383 PRDWRUIVDNRCBD-OAQYLSRUSA-N 360.413 4.317 0 40 FIAB Cc1cccn2cc(COc3ccc(C(=O)NCc4ccccc4)cc3)nc12 10356052 RQFWAHXFWWRCMH-UHFFFAOYSA-N 371.440 4.152 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl 10743514 TXCSRTQWTIFEJU-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1cc2ccccc2o1 11694692 APDQUJMFFQJLEQ-UHFFFAOYSA-N 359.794 4.374 0 40 FIAB Cc1cc(C(F)F)nn1CC(=O)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 12162281 GTGIEPOLBKQNOI-FVCZOJIISA-N 373.447 4.218 0 40 FIAB Cc1ccc2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 12462545 KSGGAEDZOKHNCZ-UHFFFAOYSA-N 351.353 4.458 0 40 FIAB c1ccc(-n2c(SC[C@H]3COc4ccccc4O3)nnc2C2CC2)cc1 12552392 HYDGXPJUTCFXOZ-MRXNPFEDSA-N 365.458 4.077 0 40 FIAB Cc1nnc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)s1 12601137 ZOMSFPDFFGQYQZ-UHFFFAOYSA-N 358.492 4.198 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1ccc(F)cc1F 12773939 CNKWJJUCFUNXFX-KRWDZBQOSA-N 365.426 4.094 0 40 FIAB Cc1cccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)c1 12877574 CASPOFRDDGNIKS-UHFFFAOYSA-N 352.463 4.253 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CNc2ccccc2Cl)C1=O 13305278 XAYPWDQJFXKGKJ-YBEGLDIGSA-N 374.849 4.455 0 40 FIAB O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccc2noc(-c3ccccc3)c2c1 13655735 MRLXGFHSOCPFLJ-LJQANCHMSA-N 372.380 4.051 0 40 FIAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 14110963 XWMAZDVPKSLDKJ-OAHLLOKOSA-N 361.397 4.488 0 40 FIAB Cc1ccc2cc(COC(=O)COc3ccccc3F)c(Cl)nc2c1 15223140 KVRJMOKDXUHNOM-UHFFFAOYSA-N 359.784 4.458 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 15585426 LYXZSEUGLJYVNT-UHFFFAOYSA-N 356.429 4.349 0 40 FIAB COc1ccc(NC2=NN=C(c3c(C)[nH]c4ccccc34)CS2)cc1 15973792 VAWDTHUFYXSXEK-UHFFFAOYSA-N 350.447 4.404 0 40 FIAB aggregator CCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 17976038 WVTUIEPYZBDKPE-HOTGVXAUSA-N 357.450 4.242 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 19234406 KUURWELRVABWMQ-OAHLLOKOSA-N 353.447 4.126 0 40 FIAB CCc1cc(C(=O)Nc2nnc([C@H](C)Oc3cccc(C)c3C)s2)no1 19522692 KIJFHUQUXVFEAW-LBPRGKRZSA-N 372.450 4.098 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1O 22259842 UYDHTWXVXHTJDH-UHFFFAOYSA-N 361.825 4.139 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 22514963 UCEVFCWLSIDVFI-CYBMUJFWSA-N 361.463 4.222 0 40 FIAB C[C@H](NC(=O)CCNC(=O)c1ccsc1)c1ccc(Cl)c(Cl)c1 23295016 KEKVOHTUDMUCFS-JTQLQIEISA-N 371.289 4.052 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2cccnc2)cs1 25393134 DZJLUSLVTDBYJD-CQSZACIVSA-N 367.474 4.024 0 40 FIAB Cc1cccc(OCCSc2nnc([C@@H]3COc4ccccc4O3)o2)c1 26436037 FKZJWUUQERRCOK-KRWDZBQOSA-N 370.430 4.062 0 40 FIAB CCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27604133 YXQCQKILRCHKQQ-GOSISDBHSA-N 358.507 4.104 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1 30854191 KCMUSQWEKYTELW-SFHVURJKSA-N 374.868 4.276 0 40 FIAB Cn1ncc2c1CCC[C@@H]2NCc1ccc(OCc2ccccc2F)cc1 30908858 YJGKOHOZCLNSCC-NRFANRHFSA-N 365.452 4.305 0 40 FIAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1ccccc1 32604127 JJOXMRTWTMXAHA-UHFFFAOYSA-N 368.437 4.150 0 40 FIAB COc1ccc(CCN(C)[C@@H](C)c2nnc(-c3cccs3)o2)cc1OC 32739719 HPRCSQRZMJAQOS-ZDUSSCGKSA-N 373.478 4.051 0 40 FIAB Cc1ccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)cc1-n1cccc1 32915538 NOCMOFZCZZKQEN-IBGZPJMESA-N 357.457 4.415 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccccc1Cn1cccn1 36759897 DDFMULRXEQSGQU-ZHACJKMWSA-N 369.371 4.185 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccc(OC)cc1 38757284 AGQMBFKQHJBJKQ-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB COc1ccc(-n2cc(C(=O)O)c3c2[C@H](c2cccs2)CC(O)=N3)cc1 40266269 NDCSIXDFOQQFCZ-ZDUSSCGKSA-N 368.414 4.369 0 40 FIAB CCCc1cc(=O)n2c3ccccc3n(Cc3ccccc3Cl)c2n1 40484697 IZHLMPGYCJPEQU-UHFFFAOYSA-N 351.837 4.303 0 40 FIAB Cc1cc(CN(CCCn2ccnc2)Cc2ccccc2F)cc(C)c1O 43277852 OTTIGKMPCDLQMB-UHFFFAOYSA-N 367.468 4.437 0 40 FIAB O=C(NCC1CCN(Cc2ccsc2)CC1)Nc1ccccc1Cl 43972195 FRETWLPHNISOOG-UHFFFAOYSA-N 363.914 4.435 0 40 FIAB Cc1cn2c(CCC(=O)Nc3ccc4sc(C)nc4c3)csc2n1 49422466 SWFUYKZLYSNRKQ-UHFFFAOYSA-N 356.476 4.194 0 40 FIAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccccn1)CO3 57120756 HQJAQJUGJGHYOM-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB biogenic Cc1ccc(-c2cc(NC(=O)CN[C@H](C)c3ccc(F)cc3F)on2)cc1 58158043 NIFBAZOKNACEPQ-CYBMUJFWSA-N 371.387 4.218 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Nc2c(CC)cccc2CC)CC1=O 59227224 SOEJBVMTVQGMCA-LJQANCHMSA-N 364.489 4.365 0 40 FIAB O=C(Nc1ccccc1OCc1cscn1)C1=Cc2ccccc2OC1 65474901 BLMKBPXJGNIXCM-UHFFFAOYSA-N 364.426 4.137 0 40 FIAB C[C@@H](OC(=O)[C@@H](C)n1c(=O)oc2ccccc21)c1nc2ccccc2s1 71793364 CKTCOOZAGRZIOF-VXGBXAGGSA-N 368.414 4.070 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@](O)(c2ccccc2)C(F)(F)F)C1 72208780 QLWMCCNWGANNFP-RHSMWYFYSA-N 359.388 4.084 0 40 FIAB C[C@@H]1COc2ccccc2N1C(=O)c1ccc(OCC(F)(F)F)cc1 72531867 GUWNJFUUVAXPCQ-GFCCVEGCSA-N 351.324 4.055 0 40 FIAB Cc1ccc(CCC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 75108375 LYKNMMQCDVERBA-OAQYLSRUSA-N 363.457 4.283 0 40 FIAB CC(C)Cn1ccnc1CNC(=O)c1ccccc1Nc1ccc(F)cc1 76022678 OWBZRGLONZLRRK-UHFFFAOYSA-N 366.440 4.352 0 40 FIAB CCc1c(C(=O)N2CCCCC[C@@H]2c2cccn2C)[nH]c(C)c1C(C)=O 79444193 WXIHARRPPCXPCR-GOSISDBHSA-N 355.482 4.184 0 40 FIAB Cc1cccc(Oc2ncccc2NC(=O)N(C)C[C@H]2CCCO2)c1C 89688767 NXGQMPXUYAQZIY-MRXNPFEDSA-N 355.438 4.133 0 40 FIAB O=C(NCCc1cscn1)Nc1cc(F)ccc1SCC(F)F 89769665 KUCYIQIIWJPHNJ-UHFFFAOYSA-N 361.414 4.004 0 40 FIAB C[C@H](C(=O)Nc1ccccc1I)c1ccccc1 95470991 YYATYKUDSRQSLX-NSHDSACASA-N 351.187 4.033 0 40 FIAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc3cc[nH]c3c2)CC1 101494456 FAAGJDNTKLQZOY-FZNQNYSPSA-N 371.481 4.438 0 40 FIAB COc1ccc2c(c1)C(=O)N(C)[C@H](c1csc(-c3ccc(C)cc3)n1)N2 102417547 MRVCUTOZOKAICS-GOSISDBHSA-N 365.458 4.323 0 40 FIAB COc1ccccc1-c1noc(-c2ccc(N3CCC(C)CC3)nc2)n1 109454830 QJILWXHGCMBMGF-UHFFFAOYSA-N 350.422 4.044 0 40 FIAB O=C(O)c1cc(Br)c(OC(F)(F)F)c(C(F)(F)F)c1 169796961 GNVQMNXZSZIPLB-UHFFFAOYSA-N 353.012 4.065 0 40 FIAB COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 219024084 NBJUWMLQOHKUNL-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(OC)c1 219305739 SPIVSBHPQWMONI-KRWDZBQOSA-N 371.477 4.000 0 40 FIAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc2c(c1)OCO2 222921566 AJPSROUARXTGKI-SFHVURJKSA-N 369.461 4.187 0 40 FIAB O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1ccccc1 223640929 VFQGATIRMLZUAL-UHFFFAOYSA-N 353.443 4.109 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1C 225130082 AUEOTEAKGQHIHY-OAQYLSRUSA-N 367.489 4.226 0 40 FIAB COc1ccc(CCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1 225316506 HSFXICJQHLUASF-UHFFFAOYSA-N 355.478 4.164 0 40 FIAB ClC1=C(Cl)[C@]2(Cl)[C@@H]3C[C@@H]4O[C@H]4[C@H]3[C@@]1(Cl)C2(Cl)Cl 256006976 VMNNMBZKONGDDQ-KMFWDHLBSA-N 354.875 4.235 0 40 FIAB Clc1cccc(Cc2cnc([C@@H]3CCCN(c4ccncn4)C3)o2)c1 257234393 GTIBMAZWKOLPGW-OAHLLOKOSA-N 354.841 4.093 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2cnc3ccccc3c2)CC1 257312262 UNCGFXGZZWAGIY-GOSISDBHSA-N 366.505 4.223 0 40 FIAB N=c1[nH]nc(/C(=C/c2ccc(Br)cc2)c2ccccc2)s1 408718030 CQQXIVAMGGJLJS-GXDHUFHOSA-N 358.264 4.302 0 40 FIAB O=S(=O)(Nc1ccc(CC(F)(F)F)cc1)c1ccc(Cl)s1 525020788 MXGVYPBHLPLAHG-UHFFFAOYSA-N 355.790 4.307 0 40 FIAB Cn1c(O)nc2ccc(NC(=O)[C@@H]3CC[C@@H]3c3ccc(Cl)cc3F)cc21 563863705 HNHZSBUOHMPFAH-TZMCWYRMSA-N 373.815 4.204 0 40 FIAB Fc1ccc(-c2cnc(Nc3ccc(C[C@H]4CCNC4)cn3)s2)cc1 585262866 MPPGLFSGYSXSFK-CQSZACIVSA-N 354.454 4.240 0 40 FIAB Cc1nn(C)c(C)c1CNC(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 678950755 VAURWXIAIMHNJG-BEFAXECRSA-N 366.509 4.136 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(N(C)C)cc2)cc(OCC)c1OCC 668991 KDXNZIOYNIZXQB-UHFFFAOYSA-N 372.465 4.201 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc23)c(C)c1 1074502 DZFATNLIXMYBNZ-UHFFFAOYSA-N 374.481 4.062 0 40 FIAB Cc1ccc2nc3sc(C(=O)Nc4nc(C)cs4)c(N)c3cc2c1 1342763 SJFBNCPWJKASFZ-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB CCCCOc1ccc2c(C)c(C)c(=O)oc2c1I 2365696 PJBPPDLHSZUBCI-UHFFFAOYSA-N 372.202 4.193 0 40 FIAB NCCSc1cc(C(F)(F)F)nc2ccc(Br)cc12 2525204 ODRCXBVIZHXSQF-UHFFFAOYSA-N 351.191 4.067 0 40 FIAB biogenic CN(Cc1ccc(Cl)cc1Cl)C[C@@H](O)COCc1cccs1 2630957 UQZYMTXFQCSEBR-CQSZACIVSA-N 360.306 4.064 0 40 FIAB COc1ccc(-c2nc(S)c3c(n2)Oc2c(C)cccc2C3)cc1OC 2693962 VPEYFCFDORREDZ-UHFFFAOYSA-N 366.442 4.454 0 40 FIAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C)c2)cc1 2723208 QAAHXBNUKKIZFO-UHFFFAOYSA-N 367.474 4.310 0 40 FIAB C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)N(C)c1ccccc1 3485909 YFVCHFQHKNJIQP-LBPRGKRZSA-N 369.515 4.324 0 40 FIAB O=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 4207431 NKVVZGCELFOGBD-UHFFFAOYSA-N 363.804 4.498 0 40 FIAB Cc1ccc(-c2cnc(SCCNC(=O)c3cccc(F)c3)[nH]2)cc1 4315433 KMQQOJJDOWMTAL-UHFFFAOYSA-N 355.438 4.046 0 40 FIAB CCCCC(=O)NC(NC(=O)CCCC)c1ccc(C(F)(F)F)cc1 4744658 QZBGUSCXLLBKCC-UHFFFAOYSA-N 358.404 4.317 0 40 FIAB CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1C(F)(F)F 5000645 YAJRSUVPQCSPTE-UHFFFAOYSA-N 350.340 4.224 0 40 FIAB CC(=O)c1c(-c2ccc(Br)cc2)nc2n(C)c3ccccc3n12 5260815 XCQSYEZHSAQTEY-UHFFFAOYSA-N 368.234 4.458 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccoc1C 5364823 KSJYLAQZEYQBBK-GFCCVEGCSA-N 374.441 4.125 0 40 FIAB Cc1c([C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c2ccccc2n1C 6235712 AMYVUJTUBHRBQA-ZHRRBRCNSA-N 360.457 4.211 0 40 FIAB COc1cc(C)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC 6259157 OTZUKAOSFUDEJW-UHFFFAOYSA-N 363.841 4.462 0 40 FIAB COc1cccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cccs3)C2)c1 6470563 RAQHOUVBKPSFRM-MRXNPFEDSA-N 352.415 4.341 0 40 FIAB COc1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c(OC)c1 6785436 ITDKLBSIMGIBFJ-UHFFFAOYSA-N 365.385 4.419 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1 7616990 SBGRURSQHZPEMQ-UHFFFAOYSA-N 364.474 4.267 0 40 FIAB COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2ccc(C)o2)cc1 7884432 GXAXAJFUMNTLFU-OAQYLSRUSA-N 362.429 4.406 0 40 FIAB COc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1 7909574 OYLLRROHENDDFH-KRWDZBQOSA-N 367.474 4.081 0 40 FIAB C[C@@H](Sc1nnc2n(C)c(=O)c3ccccc3n12)c1ccccc1Cl 8746962 UFJIVSVNMKDRMX-LLVKDONJSA-N 370.865 4.088 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccccc1F 9226207 KHQIDFZHECSPLC-UHFFFAOYSA-N 366.367 4.147 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(OCC(C)C)cc1 9535693 CIUMFGWBLWSIQT-INIZCTEOSA-N 355.434 4.214 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(Cl)cc1Cl 9694920 FEEGSCLKMFPPTH-UHFFFAOYSA-N 364.681 4.266 0 40 FIAB CCOC(=O)[C@@H]1CCCN(C(=O)c2oc3c(ccc4ccccc43)c2C)C1 10640643 HSYVCTNOPCZBRM-MRXNPFEDSA-N 365.429 4.310 0 40 FIAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1cccc2ccccc12 11122622 UPUXXSVYIYSUIS-OAHLLOKOSA-N 359.429 4.016 0 40 FIAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4nccs4)ccc3C(=O)O2)cc1 11666576 INVADQPKYPVBSK-KRWDZBQOSA-N 364.426 4.158 0 40 FIAB COc1cccc(/C=C/C(=O)O)c1OCc1ccc(Br)cc1 11827462 JRQFXKYLOXCVRU-JXMROGBWSA-N 363.207 4.135 0 40 FIAB COc1ccc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc1 12122565 KZBYKLCJNVIUPH-UHFFFAOYSA-N 367.489 4.011 0 40 FIAB CN(CCc1ccccc1)c1ncc(-c2ccncc2)c(-c2ccco2)n1 12144353 CPZSZTWNCBRFBL-UHFFFAOYSA-N 356.429 4.478 0 40 FIAB CC(C)c1cc(C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n(C)n1 12162248 FNIDLBATDPDDKU-SEONNTABSA-N 351.494 4.246 0 40 FIAB Cc1c(CN(C)Cc2cc(O)nc3ccccc23)cnn1Cc1ccccc1 12188438 JRRZQUXOSFYRER-UHFFFAOYSA-N 372.472 4.126 0 40 FIAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc3[nH]nnc3c2)n1 12540416 KFVDUXRNXXXZEV-UHFFFAOYSA-N 374.429 4.123 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(C(F)(F)F)cc1 12777035 XLQXTVYXBFVRCB-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccc(F)cc3F)c12 12778194 OALMJDFKHVSYMD-SECBINFHSA-N 357.360 4.178 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCSc3ccc(F)cc32)c(C)c1 12885718 QJPIWMFRXCODGA-INIZCTEOSA-N 365.495 4.266 0 40 FIAB CC(C)CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 13007672 WAVVURXINMQVLF-HNNXBMFYSA-N 357.473 4.445 0 40 FIAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1C 17052902 YEKREYNMVXPCPK-OKILXGFUSA-N 364.497 4.206 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 19677778 GSQVORFSMBQHES-UHFFFAOYSA-N 358.246 4.039 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20143803 LFCAJGCPUMJIOA-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB Cc1[nH]c2ccc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc2c1C 23383364 HYERAELDFWJWQH-QFIPXVFZSA-N 362.473 4.371 0 40 FIAB CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27664281 WKRVMPWLUKBBMS-IBGZPJMESA-N 372.896 4.306 0 40 FIAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)C1CCC1 28305386 CHTAGCPZKTVTDL-UHFFFAOYSA-N 367.371 4.294 0 40 FIAB CCSCn1nnc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C)cc1 32611804 DFTKQZFJERGNMO-UHFFFAOYSA-N 370.453 4.356 0 40 FIAB COc1ccc(C)cc1NC(=O)CN1CCC[C@@H]1c1ccc(Cl)cc1 32777597 NFBJHPZPRXSFNC-GOSISDBHSA-N 358.869 4.433 0 40 FIAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1Br 36396845 NWDJJUFXPFFTTN-LLVKDONJSA-N 352.659 4.464 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1ccsc1 38673457 BCXMEMQHLJBLHL-CQSZACIVSA-N 357.401 4.191 0 40 FIAB COc1ccc(OC)c(NC(=O)CN(C2CC2)[C@@H](C)c2ccccc2F)c1 40155712 RBVLEJMDVHIZJJ-AWEZNQCLSA-N 372.440 4.007 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)c1 40288006 NSTTVCOGCAHFRQ-HNNXBMFYSA-N 367.380 4.152 0 40 FIAB Cc1ccc(C(=O)CCC(=O)NCCCO[C@@H](C)c2ccccc2)cc1 42805740 NMALWCNCHTZQGU-SFHVURJKSA-N 353.462 4.242 0 40 FIAB O=S(=O)(NCCCc1ccccc1)c1ccc(Oc2ccccc2)cc1 44948337 JUPMJFYJOYVCPI-UHFFFAOYSA-N 367.470 4.390 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 45383271 IIWVFSRGTVMGEA-HUUCEWRRSA-N 359.491 4.370 0 40 FIAB c1ccc(Cc2noc(CN3CCn4cccc4[C@H]3c3ccccc3)n2)cc1 48365014 HISOASFEHDJTNT-HSZRJFAPSA-N 370.456 4.067 0 40 FIAB O=C(c1cccs1)N1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)C1 49171099 CIDDRTRVYCSJRY-LBPRGKRZSA-N 359.838 4.081 0 40 FIAB biogenic,in-vitro Cc1ccc(SCC(=O)Nc2cccc(CN3CCSCC3)c2)cc1 58173185 FNQGBYQGDTXOKG-UHFFFAOYSA-N 372.559 4.275 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NCc1nc(C(C)C)no1 58217578 VQBSXCFETZXERO-HNNXBMFYSA-N 356.470 4.128 0 40 FIAB COc1nc(C(=O)Nc2cc(F)cc(N3CCCC3)c2)cc2ccccc12 65543257 RPCANPCGRWXLNF-UHFFFAOYSA-N 365.408 4.235 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3c(O)cc(F)cc3F)n2)c(C)o1 66049899 HNHOEYZVGGMZEJ-UHFFFAOYSA-N 350.346 4.256 0 40 FIAB CC(C)Cn1cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc2c1=O 70666603 CSMRQGNJGOIEQI-UHFFFAOYSA-N 359.429 4.391 0 40 FIAB biogenic C[C@H]1CN(Cc2ccc(Br)cc2)c2ccccc2N(C)C1=O 72305665 SJBAEFVQLDROQE-ZDUSSCGKSA-N 359.267 4.068 0 40 FIAB CCOc1cc2c(cc1OCC)C(Cc1ccc(OC)c(OC)c1)=NCC2 73633094 BDUGQWXHGOKJHP-UHFFFAOYSA-N 369.461 4.089 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 84171889 QDFYBRYDQDSVMY-CQSZACIVSA-N 368.424 4.090 0 40 FIAB C[C@H]1CSC(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)=N1 95980504 XZQWKLLASSBMOY-NWDGAFQWSA-N 369.581 4.422 0 40 FIAB O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 96103577 IJHIYZIOFMYJJD-ZZXKWVIFSA-N 364.426 4.196 0 40 FIAB CC(C)c1ccc(-c2ncc(CN(C)CC(=O)NC(C)(C)C)s2)cc1 96954330 IYFVTRMPWBSGBZ-UHFFFAOYSA-N 359.539 4.280 0 40 FIAB c1ccc(-c2cc3c(NCc4ccnc(N5CCCC5)c4)ncnc3o2)cc1 97020931 FVZBSSRRNDFVJU-UHFFFAOYSA-N 371.444 4.497 0 40 FIAB Fc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 107752090 YINWRGIHERSHJW-VXKWHMMOSA-N 361.501 4.404 0 40 FIAB CC(C)[C@@H](C(=O)Nc1nc2c(ccc3ccccc32)s1)N1CCCC1=O 109687955 NNFJORVKAKMCSM-SFHVURJKSA-N 367.474 4.035 0 40 FIAB O=C(CSCc1ccccc1F)NCc1cccc(C(F)(F)F)c1 222667739 GPDGOPMVDXKVGV-UHFFFAOYSA-N 357.372 4.394 0 40 FIAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1C(C)C 223303973 ZNNRYMLLYIZRJO-INIZCTEOSA-N 361.507 4.475 0 40 FIAB O=C(CSCc1ccc(F)cc1)Nc1nnc(-c2ccccc2)s1 224525151 NISYXICDIRAYII-UHFFFAOYSA-N 359.451 4.216 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924805 NKSPSKCJVZRCDO-FQEVSTJZSA-N 354.450 4.092 0 40 FIAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(OC)cc1 225624664 LLDCHPXQQYNCJQ-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)N[C@@H](C)CC 225640427 BQPYENKINLZMSO-YOEHRIQHSA-N 352.906 4.162 0 40 FIAB COc1ccccc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225828697 MNMKCHRTQYBIKP-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1N 226359270 JYODRWIUUZEWPK-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB COc1ccc(-c2ccc(C(=O)Nc3cc(N)ccc3OC)o2)cc1Cl 226765727 YVXAHTHWAXCGDN-UHFFFAOYSA-N 372.808 4.452 0 40 FIAB NCc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1 228926714 CZZWNLSTVTXFRE-UHFFFAOYSA-N 362.273 4.435 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCCC[C@H]1CC 260458017 MOBUYNKVVRHSQH-UXHICEINSA-N 360.542 4.232 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(I)cc2F)cc1 408621185 KFPFYGAUYVGZCV-UHFFFAOYSA-N 369.177 4.245 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)NCc3ccc(C(C)C)cc3)CC2=O)cc1C 408707237 IFSQVBJXTUUSTR-HXUWFJFHSA-N 364.489 4.096 0 40 FIAB COc1ccccc1C(=O)/N=c1\sc(C)c(-c2ccc(C)cc2)n1C 409194313 JWLNWBQOGUOVMS-MRCUWXFGSA-N 352.459 4.120 0 40 FIAB COc1ccc(-c2ccc(C(=O)N(C)Cc3ccc(O)cc3)c(F)c2)cc1 532366145 DFLOURMHUSITOR-UHFFFAOYSA-N 365.404 4.479 0 40 FIAB O[C@@H]1[C@@H](NCCCc2ccccc2)CCC[C@H]1Oc1cccc(Cl)c1 585290313 UWDRDQCOLXXYEW-PWRODBHTSA-N 359.897 4.223 0 40 FIAB CCO[C@H](c1nc(-c2ccc(Br)cc2OC)no1)C(C)C 624540527 ITVDFRUNMRNXJN-ZDUSSCGKSA-N 355.232 4.241 0 40 FIAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1OC(C)=O 630533 GTTRADUUWOUDMW-UHFFFAOYSA-N 366.369 4.067 0 40 FIAB biogenic COc1ccccc1NC(=S)C(=O)Nc1cccc(C(F)(F)F)c1 1083941 IHZWBVXGSKEZKM-UHFFFAOYSA-N 354.353 4.092 0 40 FIAB COc1ccc(CCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1OC 1462327 FBDZFTGKDFKNFN-UKTHLTGXSA-N 367.489 4.373 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1 2091236 RGCGHJMMRRYERX-GOSISDBHSA-N 369.490 4.182 0 40 FIAB biogenic O=c1c2c3c(sc2ncn1-c1ccc(Br)cc1)CCCC3 2286957 FEAVXGGMRXXDCP-UHFFFAOYSA-N 361.264 4.089 0 40 FIAB CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1 2390129 VAODZZBDMCCPGO-UHFFFAOYSA-N 350.422 4.000 0 40 FIAB O=c1c2ccccc2nc(CN2CCCCC2)n1-c1ccccc1Cl 3030913 JEPZPAWFKVTDQO-UHFFFAOYSA-N 353.853 4.025 0 40 FIAB C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 3237384 AKBPTJHQWGRUPG-MRVPVSSYSA-N 373.623 4.226 0 40 FIAB Cn1c(SCCOc2ccccc2F)nnc1-c1ccccc1Cl 3450542 ZCVXWICZAITLSV-UHFFFAOYSA-N 363.845 4.446 0 40 FIAB COc1ccc(OCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 3566635 FDPPNFAWXFBVRQ-UHFFFAOYSA-N 350.370 4.472 0 40 FIAB OC1=N[C@@H](c2ccco2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 3667909 UKSLYZYXDRYUGK-GOSISDBHSA-N 365.458 4.328 0 40 FIAB aggregator O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c(F)cccc1F 4072466 YSFPDARVNXQRSB-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)Cc2cccs2)CSC3)cc1C 4088827 YOMQIJKDDKTCQQ-UHFFFAOYSA-N 369.515 4.479 0 40 FIAB Cc1cccc2sc(N(CCCN(C)C)C(=O)C3CCCCC3)nc12 4359697 BUKADQQIXQFBEA-UHFFFAOYSA-N 359.539 4.470 0 40 FIAB COc1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc1OC 4511706 LMURIRSWIXHYPM-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1C 4767398 SKFIXQKYQYTXKH-NSHDSACASA-N 352.217 4.433 0 40 FIAB CC(=O)N1CCCc2ccc(NC(=O)c3ccc(Br)cc3)cc21 5252263 KQOSJCIYAKHHJZ-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB Cc1ccccc1-c1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)o1 5435177 UPPLZSVMHOUFEH-GFCCVEGCSA-N 364.430 4.135 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)c3ccccc3C)c2C(N)=O)C1 6046039 KFJMVAQQITULSI-ZDUSSCGKSA-N 356.491 4.313 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1OC 6201405 WLTIRKGFOOMABG-UKTHLTGXSA-N 355.434 4.488 0 40 FIAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCO2 6326650 COJQZKVJRVCZSC-UHFFFAOYSA-N 374.805 4.094 0 40 FIAB Cc1ccc2c(c1)NC(SCc1ccccc1Cl)=NS2(=O)=O 6918624 QCOHSNOPWQVJAC-UHFFFAOYSA-N 352.868 4.052 0 40 FIAB CCN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 6951758 NXZAQEMOVKYKNZ-MDWZMJQESA-N 351.189 4.166 0 40 FIAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1CCc2ccccc21 7359820 YKJFOIGXCJTKLK-GOSISDBHSA-N 363.486 4.023 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1 7705464 UKMBHJJWUCUFGQ-HXUWFJFHSA-N 368.502 4.491 0 40 FIAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N1CCCCCC1 7754176 UKMMGCWIFNKOOE-VAWYXSNFSA-N 357.885 4.309 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)NCc1cccc(C(F)(F)F)c1 7755922 VNXYPMURWPVVFG-UHFFFAOYSA-N 357.759 4.362 0 40 FIAB CCOc1ccccc1C(=O)OCc1nc(-c2cccc(Cl)c2)no1 8293373 KHYPNYYGEYHWFP-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB O=C(Cc1ccsc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 8339259 ZXWIRKMIKNNCLU-UHFFFAOYSA-N 373.865 4.185 0 40 FIAB CN(C)C(=O)[C@@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 8707469 MJWXQCOYMBGJFY-NRFANRHFSA-N 370.456 4.471 0 40 FIAB COc1cc(OC)c(N[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1Cl 9154168 JUKPOEKJCBOTRD-ZDUSSCGKSA-N 362.857 4.413 0 40 FIAB CCc1ccccc1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 9417283 LCDHAPQWKMQZGV-UHFFFAOYSA-N 371.487 4.201 0 40 FIAB CC(C)[C@H](NC(=O)CN(C)Cc1ccccc1Cl)c1cccs1 11213664 UVMIWYKFGUEGPV-SFHVURJKSA-N 350.915 4.347 0 40 FIAB CC1(C)Oc2ccc(C(=O)c3ccco3)cc2N(Cc2ccccc2)C1=O 12220924 RHAZPNJXPFMEHN-UHFFFAOYSA-N 361.397 4.215 0 40 FIAB Cc1c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)oc2ccc(F)cc12 12436084 BJJMQDSGZACGBG-UHFFFAOYSA-N 352.365 4.481 0 40 FIAB COc1ccc2nc(-c3ccc(C)c(NC(=O)CC4CCCC4)c3)cn2n1 12441196 BSSJKSVMSZLKFU-UHFFFAOYSA-N 364.449 4.232 0 40 FIAB c1nc(Nc2ccc(-c3nnc4n3CCCCC4)cc2)c2ccsc2n1 12534439 AHSCFLLLAIXZBV-UHFFFAOYSA-N 362.462 4.420 0 40 FIAB Cc1ccc2nc(COc3cccc(C(=O)NC4CCCCC4)c3)cn2c1 12556746 AKSDRWDDOUVUGS-UHFFFAOYSA-N 363.461 4.284 0 40 FIAB Cc1nc(COc2cccc(C(=O)Nc3nc(C)c(C)s3)c2)cs1 12615823 LKTKKDSRORBYKO-UHFFFAOYSA-N 359.476 4.356 0 40 FIAB COc1ccc2cc(CN(C)C(=O)c3cccc(NC(C)=O)c3)ccc2c1 12680870 DVEIBMDPTRRIEX-UHFFFAOYSA-N 362.429 4.079 0 40 FIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)N(CC)CC 12690479 PJZDXUVBIDWVTP-CQSZACIVSA-N 374.506 4.261 0 40 FIAB Cc1cccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 13676301 PMLXEUQSAHQXSI-UHFFFAOYSA-N 350.506 4.344 0 40 FIAB O=C(/C=C/c1ccc(Cl)s1)NC1CCN(Cc2ccccc2)CC1 14261201 ODHYQXCGVWRVAB-VQHVLOKHSA-N 360.910 4.196 0 40 FIAB Cc1cc(-c2cnc(C3CCN(C(=O)C(C)(C)C)CC3)nc2C(C)C)on1 19121596 KWXFFPRZARBHMX-UHFFFAOYSA-N 370.497 4.316 0 40 FIAB Cc1ccccc1[C@@H]1CC(=O)c2cnc(N3CCc4ccccc43)nc2C1 20101624 QYJGHWPOSOMZQL-KRWDZBQOSA-N 355.441 4.392 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)c(C)c3)o2)cc1 20196854 PAYIGGUDUKVFPI-UHFFFAOYSA-N 367.474 4.316 0 40 FIAB c1ccc(C2CCC(NCc3ccccc3CN3CCOCC3)CC2)cc1 23702946 ODHAPHCVZVLNQA-UHFFFAOYSA-N 364.533 4.335 0 40 FIAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)ccc1F 24562174 HFXGNQHDGYGKHY-IBGZPJMESA-N 367.399 4.017 0 40 FIAB C[C@H](NC(=O)c1ccc(OCc2ccncc2)cc1)c1ccc(F)cc1F 27580248 PTXYKFLWMDODFP-AWEZNQCLSA-N 368.383 4.430 0 40 FIAB CC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)cc1 28224820 CREMWECIODCIPP-KRWDZBQOSA-N 357.450 4.065 0 40 FIAB CCOC(=O)c1ccc(N(C)Cc2ccc3cc(OC)ccc3c2)nc1 29426527 DSNBSLMPNMTRMB-UHFFFAOYSA-N 350.418 4.057 0 40 FIAB O=C(CCc1ccccc1)NCc1cccnc1Oc1cccc(F)c1 32924719 QZMHJKOPJALAID-UHFFFAOYSA-N 350.393 4.262 0 40 FIAB O=C(COc1ccccc1)NCc1ccccc1COCc1ccccc1 32925114 IKUGHVQJVRHKSH-UHFFFAOYSA-N 361.441 4.099 0 40 FIAB Cc1noc(C)c1CSCC(=O)Nc1nc2c(F)cc(F)cc2s1 32976276 WCVJYOKIOFSCFA-UHFFFAOYSA-N 369.418 4.051 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289595 JIMSXPDCJXNJHU-MRXNPFEDSA-N 361.804 4.114 0 40 FIAB Clc1cccc(Cl)c1Cc1nnc2sc(-c3ccco3)nn12 36357985 DLQBTUZYLOYMOK-UHFFFAOYSA-N 351.218 4.343 0 40 FIAB COc1ccc(N2CN(Cc3ccccc3)CN=C2c2ccccc2)cc1 38784178 DXGUVAQGVYGPQW-UHFFFAOYSA-N 357.457 4.379 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)o1 40060445 WHURTVKOAIJJGE-DQERGGDNSA-N 355.409 4.155 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)Cc2csc(-c3ccsc3)n2)on1 47265515 TZRFTULZTLJZFO-CQSZACIVSA-N 359.476 4.074 0 40 FIAB COCCn1c(S[C@@H](C)c2nc(-c3ccccc3)no2)nc(C)c1C 48355460 SUYZTKURGQUJCM-AWEZNQCLSA-N 358.467 4.050 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1F 48374112 GTULHBLGUDQYFM-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)n[nH]2)c(OC)c1 57413055 XZSKJHDPTJJLCW-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB CC(C)(NCc1ccc(Br)cc1F)c1ccc2c(c1)OCO2 58141938 CJEHNAWRQALHDI-UHFFFAOYSA-N 366.230 4.342 0 40 FIAB C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]c(=O)c(Cl)c3)c2)C1 62922967 ORCKUGYXSSUOFL-DYVFJYSZSA-N 374.868 4.376 0 40 FIAB C[C@@H](Sc1ccc(O)cc1)C(=O)N(C)Cc1nc2ccccc2s1 64038660 OUBSCSTWWJPIFD-GFCCVEGCSA-N 358.488 4.141 0 40 FIAB COc1ccccc1CNC(=O)/C=C/c1cc2cc(Cl)cc(OC)c2o1 67339919 IWDRLKXRIFUDAI-BQYQJAHWSA-N 371.820 4.433 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635384 QBAARDMWPGVHCT-QKIXSCASSA-N 361.363 4.319 0 40 FIAB Cc1ccsc1[C@@H](O)CNC(=O)C1c2ccccc2Oc2ccccc21 70635691 POGGDLPHCHTNSO-INIZCTEOSA-N 365.454 4.144 0 40 FIAB CCOc1ccccc1-c1noc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 71768125 PSUAYOGSKOGFQD-UHFFFAOYSA-N 373.453 4.250 0 40 FIAB CN(C)c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1N 72229194 QPBKXOAJDQXDSK-UHFFFAOYSA-N 368.662 4.003 0 40 FIAB Cc1csc(C2(NC(=O)CCc3ncc(-c4ccccc4)o3)CCC2)n1 72286073 VEIVPCXYGNEGQR-UHFFFAOYSA-N 367.474 4.235 0 40 FIAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3cccnc3)N1CC2 72342183 OJAGPSSJVXJAAQ-GOTSBHOMSA-N 373.456 4.171 0 40 FIAB O=C(CCc1cccc(F)c1)Nc1cccc(-c2noc(C3CC3)n2)c1 79071251 FXFFMNFVUYZXHY-UHFFFAOYSA-N 351.381 4.324 0 40 FIAB CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@@H]3c3ccccn3)cc12 79722947 KKXIKLPQDVVINH-OAHLLOKOSA-N 354.479 4.131 0 40 FIAB FC(F)(F)COc1cccc(CSc2nnc3n2CCCCC3)c1 79817095 MKQGSADAOMXWAI-UHFFFAOYSA-N 357.401 4.238 0 40 FIAB COc1ccc([C@@H](CNc2cc(C)nc3ccccc23)N(C)C)cc1OC 89583099 UXBXREGAYUZMQH-HXUWFJFHSA-N 365.477 4.275 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3ccc4[nH]ncc4c3)cc(C3CC3)nc21 89894005 PXRSIUNAVCSATM-UHFFFAOYSA-N 360.421 4.018 0 40 FIAB O=C(c1ccc2nsnc2c1)N1CCC(CSCc2ccco2)CC1 90608401 GVVRNKAQZSQWEZ-UHFFFAOYSA-N 373.503 4.070 0 40 FIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1c(C)nc2ccccc21 95945980 HDZLRVGJQPJHKK-UHFFFAOYSA-N 358.463 4.022 0 40 FIAB O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(Cc1cccs1)CC2 96100261 NJZACTVQUDBXFM-FQEVSTJZSA-N 366.530 4.324 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)cc1F 98072698 ZJYSRTPNFGFMFD-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB CC12CC3(CC(=O)O)C[C@@](Br)(C1)C[C@](Br)(C2)C3 100811390 JSXBEUDVOWCUCG-TYUFSLCMSA-N 366.093 4.103 0 40 FIAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1csc(-c2ccc(C)o2)n1 105778760 PYGKCWRXBUSJAP-KBMXLJTQSA-N 360.479 4.018 0 40 FIAB CCOC(=O)N1CCC(N(C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 108157371 WSVFEFZCVUBJEG-LSDHHAIUSA-N 352.906 4.385 0 40 FIAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCc1c(C)noc1C 110918460 UJHXMQOSQTXAHA-ZIAGYGMSSA-N 355.482 4.330 0 40 FIAB CC(C)c1nc2c(n1C)CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)C2 112671248 VWLOUBCXKOQNNL-UHFFFAOYSA-N 373.500 4.338 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1OC 219501011 LUOMUVVODAXCGF-KRWDZBQOSA-N 371.477 4.000 0 40 FIAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 222757569 QHXAZAQXPYKXLL-MRXNPFEDSA-N 372.896 4.030 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)ccc1F 224888122 UBODJCNOZZHLJV-ZWKOTPCHSA-N 353.422 4.299 0 40 FIAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC1CCCCC1 225097846 HKXKTGPGXZKTBC-FQEVSTJZSA-N 358.526 4.351 0 40 FIAB O=C(C1CC1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254656 MJEDPYANVIKHCF-OQLLNIDSSA-N 361.467 4.310 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1snnc1-c1cccs1 225788249 LSJXCWQHZIBBFQ-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1 225876764 LNFMTJGAQFJKGD-SECBINFHSA-N 357.888 4.100 0 40 FIAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2cscn2)n1 257269416 MPWFYPZJHNZEGT-QGZVFWFLSA-N 366.494 4.107 0 40 FIAB COc1cccc(OC)c1C(=O)NCCSCc1ccccc1Cl 408563134 JQHZOHPOTYUPCP-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1C 408614694 GMPLQIMPTULHSF-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 409108127 RYJFKTLVNGLHAB-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB COCCOCc1ccc(CN2CCc3sc(Cl)cc3C2)cc1 516293058 BUAOYHDIGCMKOG-UHFFFAOYSA-N 351.899 4.123 0 40 FIAB Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc(C(=O)Nc3ccccc3)nn2)C1 523088112 SDBMSGRZGCIZQS-ZWKOTPCHSA-N 372.472 4.420 0 40 FIAB Cc1ccccc1[C@H](C)Cc1nc(-c2cccnc2OCC(F)F)no1 547257387 UHNJNNHLXRRIMC-CYBMUJFWSA-N 359.376 4.430 0 40 FIAB O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(-c2ccncc2)c(F)c1 572811059 SBPAWQAEHQSBQC-SFHVURJKSA-N 368.452 4.499 0 40 FIAB OC1CCN(Cc2ccccc2CNCc2ccc(C3CCC3)cc2)CC1 585085923 VAZPKTPJYAWZGO-UHFFFAOYSA-N 364.533 4.201 0 40 FIAB C[C@H]1CN(C(=O)[C@H](C)c2ccccc2C(F)(F)F)c2cccnc2O1 677046069 YAAVXAHGGODCTE-NWDGAFQWSA-N 350.340 4.018 0 40 FIAB O=C(NCc1cc(-c2ccco2)cs1)c1cncc(Br)c1 1775968503 OXXBFCHMNSMNEE-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB CCOc1cc(/C=C\C(N)=O)ccc1OCc1ccc(Cl)c(Cl)c1 1776111108 AADGSLCZJDGDRM-YVMONPNESA-N 366.244 4.470 0 40 FIAB Cc1cnccc1OCC1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 1889160442 DGJALNYLIDEWDX-UHFFFAOYSA-N 362.832 4.114 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1Cl 636230 OBUYHORMCLZEDS-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 819303 SMTJULKZAXWLGY-HNNXBMFYSA-N 368.443 4.176 0 40 FIAB O=C(NC1CCCCCCC1)c1ccc(I)cc1 826230 VQWYLINMIWUMGC-UHFFFAOYSA-N 357.235 4.134 0 40 FIAB Cc1cc(Br)ccc1OCC(=O)Oc1ccc(Cl)cc1 1141997 VNHVZOUNZJGMOC-UHFFFAOYSA-N 355.615 4.395 0 40 FIAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12 2094126 NUSVUTFCQWFVSL-UHFFFAOYSA-N 372.804 4.351 0 40 FIAB biogenic CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 4084047 XEKDDLIAJWEAHP-SMOYVKEESA-N 374.521 4.347 0 40 FIAB biogenic COc1ccc(Cl)cc1C(=O)N1CCN=C1SCc1ccc(C)cc1 4120385 NLMLLHRDYPQDIU-UHFFFAOYSA-N 374.893 4.402 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccc(Cl)c(Cl)c1)C(=O)O 4241095 WSEOQKALYMEIPL-QGZVFWFLSA-N 374.264 4.390 0 40 FIAB O=C(c1ccccc1)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 4666647 JHWGWFYREQTXAW-UHFFFAOYSA-N 372.829 4.339 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)CSc2ccc(Br)cc2)[C@@H]1C 4964258 ZLMSUHHWPVTRPX-JMSVASOKSA-N 356.329 4.482 0 40 FIAB CC(=O)N[C@H]1CCCC[C@H]1c1ccc([C@@H]2CCCC[C@H]2NC(C)=O)cc1 4995128 HOAWBXFLPWAFLR-MYGLTJDJSA-N 356.510 4.011 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)Cc1ccccc1-3)OC(=O)C2 5066785 BJJKZMROLWEYET-DEOSSOPVSA-N 372.420 4.464 0 40 FIAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1 5841930 AFSMIDMUQZSSJU-UHFFFAOYSA-N 361.239 4.296 0 40 FIAB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 6451837 FNQXUDAOHQMDLA-NTEUORMPSA-N 362.838 4.236 0 40 FIAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(O)c(O)c1 6476396 OIAMDDXTLHTNRM-YRNVUSSQSA-N 371.801 4.310 0 40 FIAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 6586971 GDUZCGDKCSGHBP-MRVPVSSYSA-N 373.623 4.226 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 6628255 HGDVFKGJWFIQCT-UHFFFAOYSA-N 358.290 4.431 0 40 FIAB CCN(C(=O)c1nccnc1-c1nc2ccccc2s1)c1ccccc1 6661289 VWGZFQJIWBNAMT-UHFFFAOYSA-N 360.442 4.420 0 40 FIAB O=C(CSc1nncn1-c1ccccc1)Nc1ccc2ccccc2c1 6788442 BVTJLOXEFWXPBO-UHFFFAOYSA-N 360.442 4.151 0 40 FIAB C[C@@H](NC(=O)CN1CC=C(c2ccccc2)CC1)c1ccc(Cl)cc1 6882076 KFPFYERRPNHLAS-MRXNPFEDSA-N 354.881 4.307 0 40 FIAB Cc1nc2ccc(NC(=O)[C@@H](C)NC(=O)c3ccccc3Cl)cc2s1 7975867 IMOLWFCJUFEEFW-SNVBAGLBSA-N 373.865 4.015 0 40 FIAB CCCOc1ccc(S(=O)(=O)NCc2cccs2)c2ccccc12 8132965 HXFDHPMHEQXYGE-UHFFFAOYSA-N 361.488 4.169 0 40 FIAB O=C(COc1ccccc1F)N1N=C(c2cccs2)C[C@H]1c1ccco1 8189530 BFPYXSKVWOCZLK-HNNXBMFYSA-N 370.405 4.237 0 40 FIAB Cc1ccc(N2C[C@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1F 8605302 DLABYWSEJKIFEJ-CYBMUJFWSA-N 371.799 4.358 0 40 FIAB COc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 8719322 JEBVPEMPWRWTOL-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB C[C@@H]1c2cccn2CCN1CC(=O)Nc1ccccc1Cc1ccccc1 8762253 QMAVDDXVZXEYIN-GOSISDBHSA-N 359.473 4.094 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 8775499 FQXFQNARNGFESS-LLVKDONJSA-N 368.487 4.168 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccccc2)CC1 9062855 BTSSTDRUTRLEIP-IBGZPJMESA-N 350.506 4.036 0 40 FIAB Cc1ccc(-n2ccnc2S[C@H](C(=O)N(C)C)c2ccccc2)c(C)c1 9338250 QUBPLGAWYWGRTG-IBGZPJMESA-N 365.502 4.411 0 40 FIAB Cn1ccnc1[C@H](Nc1ncnc2c1oc1ccccc12)c1ccccc1F 9477368 IJFYDFCYBQJJHH-GOSISDBHSA-N 373.391 4.450 0 40 FIAB COc1cccc(-c2nnc(SCCSC)n2-c2ccccc2)c1 10250116 URXLKUXGCBILKK-UHFFFAOYSA-N 357.504 4.398 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc3ccccc23)CC1 10445533 FSKOTJBXBNWOFZ-UHFFFAOYSA-N 358.441 4.331 0 40 FIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c2cnn(C(C)C)c2n1 10966014 XMUNEFSQPKMQHO-LBPRGKRZSA-N 358.392 4.090 0 40 FIAB O=C(COC(=O)c1sccc1-c1ccccc1)Nc1cccc(F)c1 10985566 MGXYZADYLLSKSU-UHFFFAOYSA-N 355.390 4.350 0 40 FIAB Cc1ccc(OCC(=O)OCc2cc(-c3ccc(F)cc3F)on2)cc1 11613689 VTZWLNHOTYIPCS-UHFFFAOYSA-N 359.328 4.050 0 40 FIAB C[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 11914849 HDCZYACLPZDWET-JTQLQIEISA-N 362.307 4.165 0 40 FIAB CCCCN(C)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 12523308 JPFPQCANXHXDDT-UHFFFAOYSA-N 353.495 4.155 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnnn1C1CCCCC1 12855858 ZPHXDKYKRWHYFL-CYBMUJFWSA-N 369.494 4.332 0 40 FIAB COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 12885032 MGQIFKHONMWWNJ-UHFFFAOYSA-N 365.408 4.151 0 40 FIAB Cc1ccccc1OCC[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 13001075 DLXYTMXBHSCEGL-VWLOTQADSA-N 359.422 4.117 0 40 FIAB COc1ccc(CN(Cc2cccnc2)Cc2ccccc2F)c(OC)c1 13568995 NYFAEDQMQNNIGD-UHFFFAOYSA-N 366.436 4.440 0 40 FIAB O=C(NCc1nc(-c2ccccc2)no1)c1cc2cc(Cl)ccc2o1 13626616 LFDOLNSXQRSYPS-UHFFFAOYSA-N 353.765 4.066 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)c3ccccc3)cc2c1 13689649 QGNAHMGQZJCDHC-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c(C)c1 15009379 IIGLPBMNGPMJEK-OQLLNIDSSA-N 372.471 4.040 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 15960594 NNSYLELNCFGORK-LBPRGKRZSA-N 354.475 4.496 0 40 FIAB C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc(Br)s1 16341681 WJPFDCMBTBCBQM-SNVBAGLBSA-N 371.275 4.109 0 40 FIAB Clc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2Cl)cc1 16450573 ZAGFNQDOGZVPRD-UHFFFAOYSA-N 358.188 4.291 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1nc2ccccc2s1 16708418 XQOANYYUZLSXIZ-UHFFFAOYSA-N 374.849 4.292 0 40 FIAB O=C(c1cncn1-c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 17166655 IHZMWRBZWPMENP-UHFFFAOYSA-N 363.436 4.106 0 40 FIAB CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 19499206 COCDWLASLFUSME-VAMGGRTRSA-N 372.509 4.114 0 40 FIAB CCc1nccn1CCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 19523660 RTKPFWPKQZJQJR-UHFFFAOYSA-N 358.442 4.045 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20143737 GXGNHVDFJQQDDV-UHFFFAOYSA-N 357.793 4.110 0 40 FIAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 23692271 UHYXTEWBDLRAML-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB O=C1C[C@@H](C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c2ccccc2N1 24472883 IJCLHLMHEHTKBR-OAHLLOKOSA-N 374.362 4.111 0 40 FIAB CC(C)[C@@](O)(c1ccccc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 27235109 STAKUSLBPQYKBA-FCHUYYIVSA-N 373.924 4.300 0 40 FIAB CCCCc1nnc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)s1 28964765 WAXSPJKUEWFPRO-UHFFFAOYSA-N 361.858 4.177 0 40 FIAB O[C@H](CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccccc1 32934935 CPEQISGBPFTTCD-LJQANCHMSA-N 374.469 4.155 0 40 FIAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccccc1 33012313 MCEMNXGMXFDRTD-UHFFFAOYSA-N 371.396 4.421 0 40 FIAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccccc2Cl)S1 35043308 SNQFRBGXFAWSLI-OQLLNIDSSA-N 372.833 4.429 0 40 FIAB O=C(CC(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1 35586057 ACVUOHPHFKWDGS-UHFFFAOYSA-N 353.201 4.170 0 40 FIAB CC[C@@](C)(Nc1ccc(C)cc1C)c1nnnn1-c1ccc(OC)cc1 35622538 AETNQJQXIXKXCQ-HXUWFJFHSA-N 351.454 4.025 0 40 FIAB O=C(/C=C/c1ccccc1OC(F)F)NCCOc1ccc(Cl)cc1 36648080 KTHXIOGGAXZKAY-BJMVGYQFSA-N 367.779 4.150 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38849374 SHFKTSJJUPFLKY-INIZCTEOSA-N 358.869 4.199 0 40 FIAB O=C(COc1ccc2ccccc2c1)N(Cc1cccnc1)Cc1ccco1 40050055 DVLQYCKOMKRTPV-UHFFFAOYSA-N 372.424 4.436 0 40 FIAB Cc1ccc2[nH]c(C(=O)OCC(=O)N(c3ccccc3)C(C)C)cc2c1 40051818 QQZVLSLZVRWVKX-UHFFFAOYSA-N 350.418 4.075 0 40 FIAB CCN(CC)Cc1ccccc1CNC(=O)N(C)Cc1ccc(C)cc1 40069045 XRPDIHSKLUCZDZ-UHFFFAOYSA-N 353.510 4.178 0 40 FIAB C[C@@H](OCCCNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 40121019 VNFRXRUBIJGSFH-QGZVFWFLSA-N 364.449 4.162 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)N2CCCc3ccccc32)o1 40128038 DYIFGNHSLMAVMW-UHFFFAOYSA-N 363.413 4.460 0 40 FIAB COc1cccc(-c2nc(C)c(C(=O)Nc3nnc(C(C)C)s3)s2)c1 44917032 OLCNOTFODONGOJ-UHFFFAOYSA-N 374.491 4.354 0 40 FIAB Brc1ccc(OCc2nnc(C3CC3)o2)c(Br)c1 48986990 IPUQOYRZKJNDFQ-UHFFFAOYSA-N 374.032 4.051 0 40 FIAB CN(C)CCCNCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 58143303 HMAVCDJMIVNSAW-UHFFFAOYSA-N 374.488 4.327 0 40 FIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(Oc2cccnc2)cc1 58324456 OSXNUQSWKPYWFS-UHFFFAOYSA-N 358.401 4.022 0 40 FIAB O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(Oc2cccc(F)c2)nc1 58413434 UGOMIXYPTVHYRN-UHFFFAOYSA-N 364.376 4.129 0 40 FIAB O=C(NC(=S)Nc1cccnc1Cl)c1cc(Cl)ccc1Cl 59294481 NWTDRUVDDCGTLG-UHFFFAOYSA-N 360.653 4.169 0 40 FIAB CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CCC)cc2)c1C 63181297 YCAUFYXBZWVMHL-UHFFFAOYSA-N 374.506 4.487 0 40 FIAB CCOc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1CCCN(CC)C1 63865905 BZZVFZSAXLVLJD-MRXNPFEDSA-N 372.534 4.276 0 40 FIAB CC(C)[C@@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F 67319107 WSTRFIXCEYFMSI-LLVKDONJSA-N 357.322 4.379 0 40 FIAB Cc1ccccc1CNC(=O)c1sc(Nc2ccc(Cl)cn2)nc1C 71326386 OWFKPUPGTJLQRR-UHFFFAOYSA-N 372.881 4.482 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C3CCCCC3)C2)n1 72345885 UNIUSKAODJUITJ-INIZCTEOSA-N 354.473 4.377 0 40 FIAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NC(C)C)sc2ccccc12 72370671 PPPDETLTIFOGET-INIZCTEOSA-N 372.534 4.373 0 40 FIAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccc2c(c1)OCO2)C(=O)O3 72396337 VSTXNWQWRWFOKV-UHFFFAOYSA-N 362.385 4.095 0 40 FIAB Cc1c([C@H](C)NC(=O)/C=C/c2ccsc2)cnn1-c1ccc(F)cc1 84044854 LUQJGMWEMBECPE-UTPRNQHHSA-N 355.438 4.272 0 40 FIAB FC(F)(F)c1ccc(N2CCC[C@H](Oc3ccccc3Cl)C2)nn1 95981621 QXUDPKIMGSRKFU-NSHDSACASA-N 357.763 4.197 0 40 FIAB COc1ccc(CC(=O)NCc2sc(-c3ccccc3C)nc2C)cc1 96024497 OKMPIVAYBKCNHG-UHFFFAOYSA-N 366.486 4.294 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(-c3nc(CC)no3)cc2)cc1 96346765 DYCLHFJVZNOEKY-UHFFFAOYSA-N 351.406 4.340 0 40 FIAB OCc1ccccc1-n1cccc1C(O)(c1ccccc1)c1ccccc1 98174891 WIPMFHALRCNGKM-UHFFFAOYSA-N 355.437 4.254 0 40 FIAB CC(=O)c1cccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCC2)c1 100424316 XZBXXWDSLSEQTN-SFTDATJTSA-N 369.509 4.339 0 40 FIAB COc1ccccc1/C=C/CN1[C@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 100763434 VKKLZTLWEHZEPN-QSTNGILNSA-N 367.464 4.362 0 40 FIAB C[C@H]1CCc2nc(NC(=O)CSCc3ccc(F)cc3)sc2C1 106887450 WOHWTKITHUUGAP-NSHDSACASA-N 350.484 4.279 0 40 FIAB O=C(c1ccc2nsnc2c1)N1CCS[C@@H](c2ccccc2)CC1 211143576 LFIZMWMLZHUTEY-QGZVFWFLSA-N 355.488 4.012 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN(C)c1ccccc1 219301188 HKYBNTVMBQYOMD-SFHVURJKSA-N 354.494 4.220 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c(C)c1 219544678 UINXJVDNAAXLLY-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)c1 223556383 VFIMBDJXLBYLDT-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 223775637 BITAGKZSGRDCLD-OAHLLOKOSA-N 361.869 4.426 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCCOc2cc(C)cc(C)c2)c1 224054580 RMCRSAIQNBNAIS-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(C)c(Cl)c1 225786109 FUFBZYLGTVFQOG-CYBMUJFWSA-N 364.898 4.411 0 40 FIAB Clc1cccc(Cc2cnc([C@H]3CCCN(c4ncccn4)C3)o2)c1 257213498 CHUZFZVMCRFNPO-HNNXBMFYSA-N 354.841 4.093 0 40 FIAB CCCNc1nc([C@H]2CCCN2C(=O)CC2CCCC2)c2sccn12 257218414 DDBFICFYSJYSAY-OAHLLOKOSA-N 360.527 4.462 0 40 FIAB O=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 408625873 FWJZRPVQMODARW-UHFFFAOYSA-N 371.849 4.231 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccc(Cl)cc1 409311721 HGZZNAHWQOWZDO-MHWRWJLKSA-N 357.818 4.259 0 40 FIAB Cc1ccc2oc(N3CCC[C@@H](c4ncc(C(F)(F)F)[nH]4)C3)nc2c1 579194426 WPTAVSYRHRDPQH-LLVKDONJSA-N 350.344 4.262 0 40 FIAB Nc1c2c(nc3c1cnn3-c1cccc(F)c1)C[C@@H](c1ccccc1)CC2=O 584906222 MWSWGMYZFZJAKM-CQSZACIVSA-N 372.403 4.055 0 40 FIAB Cc1ccc2cc(CNC(=O)c3cc(C)nc4c(C)cccc34)c(O)nc2c1 585295205 PRSNUDAXRSPDEB-UHFFFAOYSA-N 371.440 4.344 0 40 FIAB CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](Cc2ccccc2)[C@H]1C(=O)O 601013342 IUXAQXHMVAZGGR-MOPGFXCFSA-N 367.445 4.217 0 40 FIAB C[C@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(C(F)F)nc1 657924682 DYRDVQLPBNYANJ-BONVTDFDSA-N 371.225 4.166 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 641303 GGZOFJTYIRJMCA-SFHVURJKSA-N 369.852 4.223 0 40 FIAB C[C@@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2ccc(Cl)cc2)S1 2292297 DGTDJJHTNYXTGY-GFCCVEGCSA-N 360.870 4.260 0 40 FIAB C[C@H](Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3)C(=O)O 2295008 UCFGYCUDWCHFTK-LBPRGKRZSA-N 367.474 4.046 0 40 FIAB CCCCCn1cnc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2304309 WQIKWVCHHQPJCC-UHFFFAOYSA-N 357.479 4.048 0 40 FIAB CCCc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCC2 2434260 JIELKZYGFKEEGQ-LBPRGKRZSA-N 368.506 4.272 0 40 FIAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NCc1ccc(Cl)cc1 3239045 HBZSKNHICKBRIY-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 3263090 AANSYTZFKSSMJE-UHFFFAOYSA-N 364.445 4.017 0 40 FIAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccc(Cl)cc1 4072934 BPXXTYRHDJXKBC-UHFFFAOYSA-N 367.758 4.063 0 40 FIAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCC[C@H]1C(=O)O 4124276 BHUNQJMULPCDTQ-DTWKUNHWSA-N 370.883 4.355 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)c1ccc(F)cc1)OCCO3 4170934 NSCRCNQFUTVCGS-UHFFFAOYSA-N 369.417 4.429 0 40 FIAB Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c12 4230925 VLFOGKMOGVQPQO-UHFFFAOYSA-N 350.418 4.015 0 40 FIAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccccc3)cs2)cc1 4676168 XUGVXZZSXSBECP-UHFFFAOYSA-N 352.415 4.235 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4835030 SLJTYJWNXXXMAW-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1F 5269907 LEBIMOQCKRSXAN-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB CC/C=C/C/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 5447620 GGJRAQULURVTAJ-GJSRIBRXSA-N 352.515 4.472 0 40 FIAB biogenic,in-vitro Cc1nn(C)c(Oc2ccccc2)c1CCNC(=O)c1cccc(Cl)c1 5724185 SKVUNNILGRMIAP-UHFFFAOYSA-N 369.852 4.147 0 40 FIAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 5984726 PSRDVMWPVHMVKG-AWEZNQCLSA-N 374.444 4.359 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(C)c1 6266469 RSAHBYOGTJTTNK-UHFFFAOYSA-N 367.518 4.421 0 40 FIAB Cc1cc(C)n2nc(C(=O)Nc3c(C(C)C)cccc3C(C)C)nc2n1 6647949 KPEZFHPEBOFHCI-UHFFFAOYSA-N 351.454 4.240 0 40 FIAB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6963496 FFSUWKYGGVMWDH-NJSLBKSFSA-N 350.374 4.428 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)o1 7194242 OXNPJQQRDZRCBR-UHFFFAOYSA-N 354.431 4.492 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)COc2ccc(Cl)cc2C)cc1 7828466 POKCNGHSZYHBQE-UHFFFAOYSA-N 374.912 4.185 0 40 FIAB CCc1cccc(C)c1NC(=O)CN(Cc1cccs1)C[C@H]1CCCO1 7927332 UBHNNLJPKNIBLE-GOSISDBHSA-N 372.534 4.239 0 40 FIAB C[C@@H]1CCCCN1C(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989852 DOYRQQKXEWTAMU-QGZVFWFLSA-N 362.477 4.049 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H]1CCOc2ccccc21 8061768 FIFAJMMJVFSHQW-MRXNPFEDSA-N 350.443 4.372 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8087793 TYMLEDHXIVEQAS-LJQANCHMSA-N 364.489 4.420 0 40 FIAB Cc1ccc(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 8330644 JSTILOVZCVVFFL-UHFFFAOYSA-N 350.466 4.374 0 40 FIAB CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(=O)[nH]1 9311867 QUKUISNKDPDCNN-UHFFFAOYSA-N 365.483 4.410 0 40 FIAB CC(C)N1CCC(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 9726768 PMSARVFHIXNSMA-UHFFFAOYSA-N 354.519 4.116 0 40 FIAB CCSc1ccc(CC(=O)Nc2nc(-c3ccccn3)cs2)cc1 10252475 VSQHUJXWHOAFPB-UHFFFAOYSA-N 355.488 4.498 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc2c(c1)CCCC2 11083850 CWQKVHAKLXQKQD-UHFFFAOYSA-N 359.473 4.082 0 40 FIAB CN(CCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1 11604982 CWMJUPCFLQCSRI-UHFFFAOYSA-N 370.452 4.154 0 40 FIAB Cc1nc(SCCCOc2ccc(F)cc2)n(C[C@@H]2CCCO2)c1C 12520228 QZWXWVGVPCSMLX-SFHVURJKSA-N 364.486 4.379 0 40 FIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@H](C)C3)cs2)cc1C 12767094 JDGNNLYHBSSCAP-KBPBESRZSA-N 357.523 4.490 0 40 FIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)c(Cl)c1 12779597 OFBHEABIFJHWKB-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(=O)[nH]c2ccccc12 12980800 XDUVABISIXOZAV-UHFFFAOYSA-N 370.408 4.359 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cc(C)ccc3O)n[nH]2)cc1Cl 13126959 UFFPZLFXEUYHIT-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1O 15010426 ABBJCAKSUYVHMR-NVNXTCNLSA-N 361.806 4.295 0 40 FIAB COc1ccc(N(CCC(N)=O)Cc2sc3ccccc3c2Cl)cc1 15513480 BDQHYMSXMDAOAT-UHFFFAOYSA-N 374.893 4.445 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2ncccc12 15979590 PGOJNMQPMZRZAQ-LBPRGKRZSA-N 371.234 4.403 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20451598 AWTBUSKOHFWLSM-SFHVURJKSA-N 366.505 4.247 0 40 FIAB Cc1cc(C)c2nc(Nc3nc(C)c(CCC(C)C)c(=O)[nH]3)nc(C)c2c1 20673186 IGPYUXUUPUEYMO-UHFFFAOYSA-N 365.481 4.279 0 40 FIAB Cc1ccc(-n2c(SCCc3ccccn3)nnc2-c2ccncc2)cc1 22284051 ATMFTSAUOQYTQQ-UHFFFAOYSA-N 373.485 4.368 0 40 FIAB Cc1ccccc1OCC(=O)N(Cc1ccc(F)cc1)c1ccccn1 27581977 JASRGCINGXNMCW-UHFFFAOYSA-N 350.393 4.141 0 40 FIAB COc1cc(NC(=O)c2c(-c3ccc(F)cc3)noc2C)cc(OC)c1 31874053 HYESITHWGPKPTQ-UHFFFAOYSA-N 356.353 4.059 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)SCc2nc(-c3ccccc3)no2)c1 32778902 CGEQPISGDOOVFW-AWEZNQCLSA-N 353.447 4.305 0 40 FIAB Clc1ccccc1-n1ncc2c(NCCc3cccs3)ncnc21 35681894 YRGDONRMVNUPGY-UHFFFAOYSA-N 355.854 4.185 0 40 FIAB c1cc2c(cc1[C@H]1O[C@H]3CCCC[C@H]3c3cc4c(cc31)OCO4)OCO2 35741613 WDHGTNCMVJMBMN-UYTHQXMGSA-N 352.386 4.290 0 40 FIAB C[C@@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)c1nc(C(C)(C)C)no1 40086307 YQHINERMEAJVGL-LLVKDONJSA-N 362.861 4.320 0 40 FIAB C[C@@H](OC(=O)/C=C/c1nccs1)C(=O)Nc1cccc(Cl)c1Cl 40151868 YLJBDKMRJNHSII-VUHVRTRXSA-N 371.245 4.034 0 40 FIAB C[C@H]1C[C@@H](C)CN(Cc2nc(-c3cc(Br)cs3)no2)C1 40157190 VCEYGQJBHBYKPN-AOOOYVTPSA-N 356.289 4.039 0 40 FIAB Brc1ccc2c(Br)c(O[C@@H]3CCNC3)ccc2c1 42774549 UTFBYWWNVMSCJT-LLVKDONJSA-N 371.072 4.106 0 40 FIAB CC(C)c1ccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)cc1 44222085 CFALBPTXLOQHIT-UHFFFAOYSA-N 368.550 4.156 0 40 FIAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 44842499 OIOHPBASPKYWSR-OAHLLOKOSA-N 371.477 4.258 0 40 FIAB CSc1ncccc1C(=O)N1CCCc2cc(Br)ccc21 48279534 PXRLWCGORKIUHH-UHFFFAOYSA-N 363.280 4.159 0 40 FIAB CCc1ccc(CNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364586 YSQKKOZQWUTOAA-FQEVSTJZSA-N 372.468 4.085 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2ncccn2)n1)c1ccc2ccccc2c1 54057730 UYSDNJQHXZAZPS-AWEZNQCLSA-N 374.469 4.173 0 40 FIAB O=C(CNc1ccc(Cl)cc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 57523890 OQSLYTXUZYYHES-MRXNPFEDSA-N 369.808 4.316 0 40 FIAB CCN(CCC(F)(F)F)C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 58140435 BHUUXJTVJSDWSO-UHFFFAOYSA-N 365.399 4.084 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C(F)(F)F)no2)cc1 58266334 LYBHTEHDELXRIT-GFCCVEGCSA-N 355.316 4.071 0 40 FIAB CC(C)[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCCC1=O 60291186 LTAQMWGEXDXLNA-AWEZNQCLSA-N 363.672 4.232 0 40 FIAB O=C(c1cnc2ccccc2c1Nc1ccc(F)cc1)N1CCSCC1 64471737 LOUYPBWNAJIQDL-UHFFFAOYSA-N 367.449 4.307 0 40 FIAB Cc1cccc(C)c1NC(=O)C[S@@](=O)Cc1cccc(C(F)(F)F)c1 66298169 PSOPVHBGUVQISB-RUZDIDTESA-N 369.408 4.210 0 40 FIAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)Nc1ccccc1 71328106 PQSMMYTZHPDHJJ-UHFFFAOYSA-N 360.442 4.356 0 40 FIAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCN1C=O 72215850 ZYOAWYUQOODUMB-GOSISDBHSA-N 367.449 4.448 0 40 FIAB COc1ccc(CNC(=O)c2ccc(-c3nc(C)cs3)cc2)c(OC)c1 84271375 YITCOHGLNYYIJZ-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 84636456 MVIYCFGXXOCZHT-ZBFHGGJFSA-N 372.465 4.198 0 40 FIAB CN(C)c1cccc(C(=O)N(CCc2cccs2)Cc2ccoc2)c1 90612319 UHMYMFXDFXRJNN-UHFFFAOYSA-N 354.475 4.292 0 40 FIAB N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)n[nH]1 95534004 BEYXYCCQWXMRCH-CYBMUJFWSA-N 352.747 4.192 0 40 FIAB Cc1cccc(NC(=O)[C@]2(C)CCCCN2C(=O)c2ccccc2)c1C 96006669 HUINIVHGJBHRBR-QFIPXVFZSA-N 350.462 4.327 0 40 FIAB COc1ccc(CN2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)cc1 96061591 RQCGRMYAHXPNHF-XZOQPEGZSA-N 351.490 4.307 0 40 FIAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 96625887 WUYKZMXNRLJHPF-UHFFFAOYSA-N 374.887 4.050 0 40 FIAB CCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1Cc1ccccc1 97998272 BKVHRQPQIFPQOR-QGOAFFKASA-N 352.459 4.188 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21)c1ccccc1 101027705 LEDICCZEMWYWPH-VURPSTOHSA-N 359.400 4.221 0 40 FIAB O=C1Cc2cc(-c3csc(-c4ccc(F)cc4)n3)cc3c2N1CCC3 101089445 PQUDUFGUFGDGIQ-UHFFFAOYSA-N 350.418 4.452 0 40 FIAB C[C@@H](NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@H]2CC[C@H]1C2 102185653 COSPCVFARKWNSE-PYOGQTELSA-N 363.542 4.323 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 219039085 ZSNBKSZWODCJGM-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 222849732 HEIYGZUILCZODV-HNNXBMFYSA-N 361.869 4.173 0 40 FIAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCC 223808966 XMYGGPCXSFACIP-QGZVFWFLSA-N 352.906 4.164 0 40 FIAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 225122464 BFXIXTRUADTEBA-SFHVURJKSA-N 355.478 4.389 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225167585 SOZXLIRTUYLVML-ROUUACIJSA-N 351.490 4.470 0 40 FIAB COc1ccc(NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1Cl 225360728 GBVFZKKHCHNTES-UHFFFAOYSA-N 361.825 4.398 0 40 FIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225842227 GKQLAVODGWVWQA-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1CCCC1 226330622 DIVQUWBJTGGPHQ-UHFFFAOYSA-N 374.282 4.192 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3CCCC[C@H]3C)nc2)cc1 260692638 QGWYAXMTQBZTSG-MRXNPFEDSA-N 354.523 4.255 0 40 FIAB O=C(c1ccccc1Cl)N1CCC(N2CCc3ccccc3C2)CC1 408604910 FUPCFROMGOZMAW-UHFFFAOYSA-N 354.881 4.003 0 40 FIAB COc1ccc(Cl)cc1/C=C1\S[C](Nc2ccccc2F)NC1=O 408794673 AQJWWXSCHSDSRH-UHFFFAOYSA-N 363.821 4.251 0 40 FIAB C[C@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 524734260 NQQODBDWMJAXEP-KBXCAEBGSA-N 364.474 4.283 0 40 FIAB CC1(C)CN(C(=O)c2nn(-c3ccc(F)cc3)cc2O)[C@@H]1c1cccs1 574189302 MUEUBHMPBXTBIC-QGZVFWFLSA-N 371.437 4.002 0 40 FIAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3cccs3)o2)cc1 575609443 VCBHQLJKDPVSOB-UHFFFAOYSA-N 368.458 4.386 0 40 FIAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H](n4ccnc4)C3)c2c1 674548485 BGXHOQIUYZOSML-SFHVURJKSA-N 374.488 4.403 0 40 FIAB O=C(CC1(CN2Cc3ccccc3C2=O)CCCCC1)N1CCCCCC1 1565525058 ZEFMIADXPLLWJF-UHFFFAOYSA-N 368.521 4.386 0 40 FIAB CSCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 702121 GAXJQSWXWFQSNG-UHFFFAOYSA-N 354.866 4.135 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCCC2 795308 VNJZNYPIQKZILO-UHFFFAOYSA-N 350.871 4.471 0 40 FIAB COc1cccc2c1OCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)=C2 1391454 MHYAROMCBLFQQB-UHFFFAOYSA-N 365.307 4.008 0 40 FIAB Cc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)c1ccc(C(C)(C)C)cc1 2488054 FWUBANQNDVWNLG-OAQYLSRUSA-N 371.864 4.359 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCCC2)cc1 3214534 YUOOMGBDSHXYSM-UHFFFAOYSA-N 368.458 4.083 0 40 FIAB O=C(c1ccccc1OCCOc1ccccc1)N1CCc2ccccc21 3533684 ABVCGGSCMJNUOD-UHFFFAOYSA-N 359.425 4.347 0 40 FIAB CC(C)(C)n1nc2c(c1NC(=O)c1c(F)cccc1Cl)CSC2 3892349 ULABYJABDOZHTM-UHFFFAOYSA-N 353.850 4.430 0 40 FIAB Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccccc2)CCCC1 4751968 NBEBGANIKFCLRA-UHFFFAOYSA-N 362.437 4.236 0 40 FIAB CC1CCN([C@H](c2ccc(F)cc2)c2nnnn2C2CCCCC2)CC1 4847665 KFEFKQCYNZAUHV-LJQANCHMSA-N 357.477 4.139 0 40 FIAB Cc1ccc(C)c(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)c1 5205328 YWBMJWOCDOJMBI-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)n2)cc1 5211053 NBVRMBSHQVRMAU-KKUMJFAQSA-N 358.511 4.050 0 40 FIAB COc1ccc2c(COC(=O)c3ccc4ccccc4c3)cc(=O)oc2c1 5461168 FSVUJQCDCFGCRM-UHFFFAOYSA-N 360.365 4.312 0 40 FIAB Cc1cc(OCc2nc3ncc(Br)cc3[nH]2)ccc1Cl 5800446 VTTDTVBGIRDTNB-UHFFFAOYSA-N 352.619 4.261 0 40 FIAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1C(F)(F)F 5814074 NZFXHPAZQGZZLK-UHFFFAOYSA-N 369.324 4.079 0 40 FIAB O=c1c2cc(-c3cccs3)c(C(F)(F)F)nc2[nH]n1-c1ccccc1 6229439 FNPHVXJHPGNOGK-UHFFFAOYSA-N 361.348 4.461 0 40 FIAB CCOc1c(Br)cc(C(=S)N2CCC(C)CC2)cc1OC 6595444 VVLCVUZFZSZZQR-UHFFFAOYSA-N 372.328 4.264 0 40 FIAB Cc1nc2ccc(NC(=O)CCNC(=O)c3ccc(Cl)cc3)cc2s1 6608555 IJJOZCUHLLFFKQ-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc1 6961986 RRMJZJMAPOXYMZ-NBVRZTHBSA-N 353.443 4.364 0 40 FIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 6965675 UBYYSLONYKTYSY-YZVOILCLSA-N 350.374 4.428 0 40 FIAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)c1ccc(-c2ccccc2)cc1 7046740 ORBKGRZLCQUBMS-UHFFFAOYSA-N 361.441 4.246 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1Cl 7428347 BKMVBKMTTSEIRJ-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB COc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Br)cc1 7603935 SBTMKWMOBZCDAW-UHFFFAOYSA-N 371.614 4.388 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 7882150 KIVABQVMIVRHHP-UZLBHIALSA-N 364.489 4.360 0 40 FIAB CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 7928950 PTFICAMHZJSJBY-AWEZNQCLSA-N 355.409 4.082 0 40 FIAB Cc1noc(C)c1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 7990706 ZYMGKQTZNAODRQ-UHFFFAOYSA-N 358.825 4.406 0 40 FIAB Cc1c(F)cccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 8300099 JPRFCWULGULWMH-SFHVURJKSA-N 372.440 4.209 0 40 FIAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NCC1CCCCC1 8724737 KABDCIBLVLPIKB-UHFFFAOYSA-N 356.514 4.258 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1 10473105 SZEUERYMLBKFBJ-HXUWFJFHSA-N 368.477 4.321 0 40 FIAB COc1ccc(-c2ccc(CCC(=O)n3cccc/c3=N\C(C)C)o2)cc1 11374698 JCNJNBLZMVFEQK-XTQSDGFTSA-N 364.445 4.339 0 40 FIAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)C4CCCC4)c3)cn2n1 12441260 XLNRQJUOTSSFCY-UHFFFAOYSA-N 370.840 4.187 0 40 FIAB CCCSc1nc2ccccc2n1[C@H](C)C(=O)NCc1ccccc1 12520342 YYMDHHZYPUYJSP-OAHLLOKOSA-N 353.491 4.416 0 40 FIAB COc1ccc(CN(CCc2ccccc2)Cc2ccncc2)c(OC)c1 13989826 OFTMJPGPQPLLQP-UHFFFAOYSA-N 362.473 4.344 0 40 FIAB O=C(COc1ccccc1-c1ccccc1)N1CCC(c2ccccc2)=N1 14216212 YLAZOBPYFNKIQW-UHFFFAOYSA-N 356.425 4.369 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)cc1 15222952 JZSOMORUYCNUSJ-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB COc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)cc1F 16967855 FAZZWUQHOMCSGL-QGZVFWFLSA-N 355.413 4.228 0 40 FIAB COc1ccccc1NC(=O)NCc1ccccc1CN1CCCCC1 18177324 HQXGTJHDWKFHRB-UHFFFAOYSA-N 353.466 4.003 0 40 FIAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4[nH]3)c2C1 19817379 CAXUWORWFHYYAE-OAHLLOKOSA-N 356.429 4.278 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20139173 TVDNBSJJDTVVKI-UHFFFAOYSA-N 355.777 4.452 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccccc1 22907811 XZCNJFNHMVXHAQ-FQEVSTJZSA-N 362.498 4.278 0 40 FIAB O=C(CCCc1nc2ccccc2s1)N1CCC[C@H]1c1ccncc1 23076406 VXXSCBGQMWJFEA-KRWDZBQOSA-N 351.475 4.378 0 40 FIAB CC(=O)c1c(C)cc(C)c(CSCc2cc(=O)n3ccsc3n2)c1C 23413647 SJGTZRNEZVQJKI-UHFFFAOYSA-N 372.515 4.317 0 40 FIAB Cc1cccc(C2(C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)CCC2)c1 25044247 ZHBDRMRBZQNPIV-UHFFFAOYSA-N 364.489 4.097 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1ccc2noc(-c3ccccc3)c2c1 25444751 QGINVUMNCFGXFS-UHFFFAOYSA-N 362.414 4.476 0 40 FIAB Cc1cccc2sc(NC(=O)CCn3nc(C(F)(F)F)cc3C)nc12 27969425 JTMQMFDLVWTXMM-UHFFFAOYSA-N 368.384 4.157 0 40 FIAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1ccc(C(F)(F)F)cc1 28328201 FIEYQYABBNZTKT-YLSINNKHSA-N 355.381 4.357 0 40 FIAB O=C(Oc1ccc(Cl)c2cccnc12)c1cncc(Br)c1 32814135 UPTQBGWUSARBCS-UHFFFAOYSA-N 363.598 4.265 0 40 FIAB O=C(CSc1nc2ccc(F)cc2c2c1CCCC2)NCc1ccco1 35313304 FAJOYBVNSSGMBI-UHFFFAOYSA-N 370.449 4.254 0 40 FIAB Cc1ccc(CN(C(=O)Cc2csc(-c3ccc(C)o3)n2)C2CC2)o1 40145568 MSWVWCCSAOIKGG-UHFFFAOYSA-N 356.447 4.347 0 40 FIAB Cc1cccc(N2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)c1C 57449622 BVONNVUUNDHCGG-INIZCTEOSA-N 368.506 4.298 0 40 FIAB O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1csnn1 58330689 HMPSIIHBIJRKMY-UHFFFAOYSA-N 367.217 4.285 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CCCC[C@@H]1C(F)(F)F 65652906 GQUDDXBNUDRGSD-HOTGVXAUSA-N 351.372 4.239 0 40 FIAB C[C@H](OC(=O)Cc1noc2ccccc12)c1nc2ccccc2n1C(F)F 71804479 OKYRNDKZSWICDJ-NSHDSACASA-N 371.343 4.420 0 40 FIAB O=C(c1ccccc1-n1cccn1)N1CCC(Cc2cccc(F)c2)CC1 71816301 ORSSDULLICHMJZ-UHFFFAOYSA-N 363.436 4.106 0 40 FIAB CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(F)cc3[nH]2)C[C@H]1C(C)C 72320856 DQNBOIXYERNBME-BQFCYCMXSA-N 357.473 4.235 0 40 FIAB biogenic,in-vitro COc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)cc1 72329780 HJYXJAAMLKKZMB-UHFFFAOYSA-N 368.241 4.383 0 40 FIAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1cccs1 72396942 PURNKTZFSHXTBW-INIZCTEOSA-N 371.893 4.454 0 40 FIAB CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)c(C)c1 72414593 IIBAYHNJACIITN-UHFFFAOYSA-N 374.245 4.028 0 40 FIAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(-c2ccccc2)s1 95381629 YFQWPNVFECATEP-RTBURBONSA-N 369.534 4.176 0 40 FIAB O=C(O)[C@@H](O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 96028933 QFDZZZLJDKSWSE-FQEVSTJZSA-N 364.466 4.157 0 40 FIAB O=C(c1cccs1)N1CCC2(CCN(Cc3ccsc3)CC2)CC1 96047294 NCMGKNCTCMBIBG-UHFFFAOYSA-N 360.548 4.328 0 40 FIAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2nnn3cc(C4CC4)ccc23)c1 96267860 CVSJDLWQSOGOSR-GOSISDBHSA-N 361.449 4.284 0 40 FIAB CCN1C(=O)[C@H](Cc2cc(OC)ccc2Br)c2ccccc21 101014993 FAYOZULSNSEEIS-OAHLLOKOSA-N 360.251 4.151 0 40 FIAB C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 110191455 WGRHVAMXNMXCDS-OAHLLOKOSA-N 367.880 4.340 0 40 FIAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCC 223341988 MPGGKCQZFASZPP-NRFANRHFSA-N 352.478 4.083 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1Cl 224147496 XJHTXRIHEDEVGB-UHFFFAOYSA-N 372.896 4.053 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 224219428 COLDBPQGJRDABN-KRWDZBQOSA-N 367.898 4.228 0 40 FIAB C[C@H](NC(=S)Nc1nccc(-c2cccs2)n1)c1ccc(F)cc1 225186581 QRBFTTVMZGXCSV-NSHDSACASA-N 358.467 4.392 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCCSCc2ccco2)cc1 225348716 JWTXNOMTAKXXNH-UHFFFAOYSA-N 350.509 4.287 0 40 FIAB CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 225714748 DKEJASXHTQGJHX-AVRDEDQJSA-N 374.525 4.085 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225730779 HDWYSZWIFFICRU-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 409181176 YLTDLAKWQUAWCJ-UHFFFAOYSA-N 362.381 4.306 0 40 FIAB Cc1ccncc1C(=O)Nc1cccc(COCCOc2ccccc2)c1 525136260 MDBACJSLXKBOKI-UHFFFAOYSA-N 362.429 4.238 0 40 FIAB c1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)cc1 585105302 SPWOICCOVKUTRW-JOCHJYFZSA-N 366.505 4.060 0 40 FIAB O=C(O)CCc1nc2cc(-c3cccc4c3OCCCO4)ccc2s1 657207929 UJVNKGSWLWHGHL-UHFFFAOYSA-N 355.415 4.142 0 40 FIAB CC(=O)c1ncc(C(=O)NCc2ccccc2Oc2cccc(C)c2)s1 1521095077 PVPUTKDIBDBCNO-UHFFFAOYSA-N 366.442 4.376 0 40 FIAB Cc1ncsc1CN1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 1615153278 DPJGXGAMEXWOOQ-UHFFFAOYSA-N 371.550 4.089 0 40 FIAB COc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 797230 XMAUTJPFCQTDOW-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(Cl)cc2)c1Cl 1395063 PUCGDVPTFARFEL-UHFFFAOYSA-N 350.205 4.212 0 40 FIAB CC1(C)C(=O)CC[C@@]2(C)[C@H](OC(=O)c3ccc(C(=O)O)cc3)CCC[C@@H]12 1766585 HLCQFDVUPLXRDK-LUQKVYGDSA-N 358.434 4.106 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1 2221248 MVDNDPZAKHRULK-FMIVXFBMSA-N 368.458 4.035 0 40 FIAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@H](c1cccc(Cl)c1)CC2=O 2400632 DGWMIOXUOBTHQH-AWEZNQCLSA-N 371.868 4.417 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccccc3)nc21 2403173 KLDCQNGVTKFPQW-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1sc2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2c1C 2500394 UUNITQYFWXXREC-UHFFFAOYSA-N 358.898 4.288 0 40 FIAB Nc1c(Br)cc(Br)cc1C(=O)c1ccccc1 2556134 IMLLZDZNMSFUSJ-UHFFFAOYSA-N 355.029 4.025 0 40 FIAB biogenic C[C@@]12C[C@@H](NC(=O)N1c1ccc(Br)cc1)c1ccccc1O2 2601933 MUNYKKGQXDJTRI-RHSMWYFYSA-N 359.223 4.219 0 40 FIAB COCCn1c(SCC(=O)c2ccc(C)cc2C)nc2ccccc21 2623733 OYBGXWOFCWLKMN-UHFFFAOYSA-N 354.475 4.275 0 40 FIAB COc1ccc(-c2nc(S)c3c(n2)Oc2c(C)cccc2C3)cc1O 2693960 NSTRSPIPLQVMNE-UHFFFAOYSA-N 352.415 4.151 0 40 FIAB CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(CC)cc1 4278778 CXOAFPGCPKCIEQ-IBGZPJMESA-N 366.461 4.354 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2ccccc21 4484490 XFCUVSAUEDYMSH-ZDUSSCGKSA-N 355.463 4.184 0 40 FIAB O=C1CS[C@H](c2ccc(F)cc2)c2c(O)nn(C3CCCCC3)c2N1 4717460 ZJYQUPOXFJPUHC-MRXNPFEDSA-N 361.442 4.008 0 40 FIAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 4927691 SDLXULNZSDDLHI-GOSISDBHSA-N 367.518 4.492 0 40 FIAB COc1cc(C)ccc1O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 5198521 BTFLHVMIAUMUCV-QGZVFWFLSA-N 368.477 4.400 0 40 FIAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(C)cc1)C[C@@H](c1ccccc1)N2 5344994 BXNNXZZJJMGKNJ-ROUUACIJSA-N 361.449 4.081 0 40 FIAB O=C(N[C@@H](CC(=O)N1CCCCC1)c1ccccc1)c1ccccc1Cl 7736768 VBOYZMIDIXDBIT-IBGZPJMESA-N 370.880 4.214 0 40 FIAB CN(CC(=O)Nc1cccc(F)c1)Cc1csc(-c2ccccc2)n1 8119715 UFFFCOAUVJDNCH-UHFFFAOYSA-N 355.438 4.020 0 40 FIAB Cc1ccsc1CN(Cc1ccco1)C(=O)COc1ccc(F)cc1 9204507 PBSWRDVLQWHTCJ-UHFFFAOYSA-N 359.422 4.396 0 40 FIAB Cc1[nH]c2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2c1C 9219836 JCTPYWXBGFTDEO-INIZCTEOSA-N 358.445 4.461 0 40 FIAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(C2CCCCC2)cc1 9365905 BJOZIIZXKAPGBV-UHFFFAOYSA-N 353.462 4.236 0 40 FIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cnn(Cc2ccccc2)c1 10965476 UKKCSKPJGKGQCM-GOSISDBHSA-N 367.449 4.037 0 40 FIAB Cc1cccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c1C 11073244 GKGUGYUJSIBHPG-UHFFFAOYSA-N 360.457 4.479 0 40 FIAB O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1cccnc1S 11808166 LYPJAJGSQCFEGL-UHFFFAOYSA-N 371.365 4.131 0 40 FIAB Cc1occc1-c1nnc2sc(-c3ccc(Br)cc3)nn12 12653889 AGZQORHDAKDYBM-UHFFFAOYSA-N 361.224 4.184 0 40 FIAB O=C(O)c1ccc(OCc2cccc3cccnc23)c(Br)c1 12785558 QDXXIBMKILWIML-UHFFFAOYSA-N 358.191 4.275 0 40 FIAB O=C(O)Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 13813411 NTZUNWMSSLGDRR-UHFFFAOYSA-N 355.246 4.429 0 40 FIAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1O 14197507 IPSAGZKPZPHOAW-UHFFFAOYSA-N 358.394 4.128 0 40 FIAB O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)Oc2ccc(F)cc21 15083917 XRUDZRXZKCYWEP-HNNXBMFYSA-N 354.164 4.105 0 40 FIAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2ccsc2)cc1 19336214 FRLIDQQTFWEXLA-LEWJYISDSA-N 368.477 4.467 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2c[nH]nc2C)n1 19691276 BNZVRMVYVTXKBT-HXUWFJFHSA-N 364.424 4.205 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20141614 NVFKBCBVDKQVDR-UHFFFAOYSA-N 351.402 4.478 0 40 FIAB CC[C@H](C)[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccccc1 24830908 PJBZUHLRYOTGLJ-LIRRHRJNSA-N 359.491 4.167 0 40 FIAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1CCOCC1 24935585 CJJZYVLBMWZMDK-OAQYLSRUSA-N 363.413 4.062 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cccs1 26242932 VQCXMMGMONKKHH-OLZOCXBDSA-N 357.479 4.218 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)c1 27793894 ZGDWPPYLFCKPAN-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220814 HTRMDCTWRJAVFF-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB Cc1cnc2c(S(=O)(=O)N[C@H](C)c3ccccc3Cl)cccc2c1 29326288 FDUJZHCJVDXCLN-CYBMUJFWSA-N 360.866 4.236 0 40 FIAB CCOc1ccc(CCC(=O)NCCSc2ccccc2)cc1OCC 30860782 UNYVXPWNJAMWEU-UHFFFAOYSA-N 373.518 4.325 0 40 FIAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCc2ccccc2C1 32633439 ILGPXJGCUPSQRC-UHFFFAOYSA-N 366.461 4.380 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c1 33727901 IZJZUWZQSGTUNE-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccccc1N1CCCC1=O 34867732 GPPFNYTYIYGSMD-MBOZVWFJSA-N 372.509 4.229 0 40 FIAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc2C1 38835856 JZGPOQCJYSGGSE-HXUWFJFHSA-N 368.908 4.137 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)N3CCC[C@H]3c3ccc[nH]3)c(=O)oc2c1 40088259 VQJWEUBJVBMRPZ-IBGZPJMESA-N 364.445 4.034 0 40 FIAB COc1cccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1OC 40107066 UHCVVLXCDRNRDL-UHFFFAOYSA-N 368.364 4.283 0 40 FIAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1Cl 40108464 WALBPDFNDOPUKR-NSHDSACASA-N 352.659 4.464 0 40 FIAB Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC[C@H]1CCCO1 41778854 ZHVYRLJWQQWIAR-GOSISDBHSA-N 360.457 4.048 0 40 FIAB COc1ccc(CN(C)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1F 43673855 HVOVOEPMVARUHP-UHFFFAOYSA-N 373.428 4.093 0 40 FIAB O=C(NCCc1cccc(F)c1)c1ccccc1C(=O)c1ccc(F)cc1 45527386 HRIHMGYEHNZEAO-UHFFFAOYSA-N 365.379 4.168 0 40 FIAB COc1ccc(NC(=O)c2cnn(-c3ccccc3C)c2C2CC2)cc1F 45989957 WKGQSRNCONQRRY-UHFFFAOYSA-N 365.408 4.458 0 40 FIAB CCOc1ncccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 48207797 JSIYYHSLMWPINP-CQSZACIVSA-N 366.421 4.033 0 40 FIAB O=c1c2ccccc2cnn1CN(Cc1ccccc1C(F)(F)F)C1CC1 54547720 DXEDMDIIWFPTNV-UHFFFAOYSA-N 373.378 4.037 0 40 FIAB Cc1noc(CNc2ccccc2C(=O)Nc2ccc(F)cc2Cl)n1 55855529 DFOPVOKVNYAARE-UHFFFAOYSA-N 360.776 4.035 0 40 FIAB CSc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(O)ccc23)cc1 58143503 YZQJRLCHUHHLAZ-UHFFFAOYSA-N 355.459 4.161 0 40 FIAB CN(Cc1ccc(OCc2cccs2)cc1)C(=O)NCc1cccnc1 58208862 MVRVSDIJLGFYNM-UHFFFAOYSA-N 367.474 4.064 0 40 FIAB COc1ccc(C2=NO[C@@](C)(C(=O)OC34CC5CC(CC(C5)C3)C4)C2)cc1 66091612 BSYWBPKJICNAKZ-CVNMFNKSSA-N 369.461 4.090 0 40 FIAB CCn1ccnc1CN1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72350278 DYKMXGWQVCSVKC-GOSISDBHSA-N 364.468 4.484 0 40 FIAB CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@@H]3CC(=O)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@]21C 78584782 WDXFAOOXKQDOOG-YRRJUKRHSA-N 374.521 4.345 0 40 FIAB CCc1c(C(=O)N2CCCCC[C@H]2c2cccn2C)[nH]c(C)c1C(C)=O 79444195 WXIHARRPPCXPCR-SFHVURJKSA-N 355.482 4.184 0 40 FIAB COCCc1noc(CN(C2CC2)[C@@H]2CCCC[C@@H]2C2CCCCC2)n1 89420259 CXLMQGMRXLCXSQ-RTBURBONSA-N 361.530 4.362 0 40 FIAB Cc1nn(-c2ncc(NC(=O)Nc3ccc(F)c(Cl)c3)cn2)c(C)c1C 90584071 DFLBWGWXMUKLIF-UHFFFAOYSA-N 374.807 4.024 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(CCOc3cccc(C)c3)s2)cc1 95116372 JBJPWMKSUCHFJC-UHFFFAOYSA-N 353.447 4.029 0 40 FIAB O=C(Oc1ccc(Cl)c2ccccc12)[C@@H]1CCCN(C(=O)C2CC2)C1 95393502 IQXMTBFMMSWOJG-CQSZACIVSA-N 357.837 4.047 0 40 FIAB CC[C@@](CNC(=O)c1ccc(OC(F)(F)F)cc1)(OC)c1ccccc1 96123738 MTWDJKIMLZPXNV-SFHVURJKSA-N 367.367 4.267 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCCCC[C@@H]1c1ncon1 184161108 NXHVVCCUFMTAJV-GFCCVEGCSA-N 374.491 4.321 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 222868097 WGARSZHGISTKLB-QZTJIDSGSA-N 357.450 4.129 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(OC)c(C)c1 223345970 SETCEZKGNLEYOT-WBVHZDCISA-N 357.450 4.047 0 40 FIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccncc1 223483501 DQEGTSDBROCQQW-DLBZAZTESA-N 366.515 4.019 0 40 FIAB CC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(OC)c(C)c1 224391054 YGSDQBJKTRBYRL-BHMZLHOFSA-N 353.418 4.013 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1Cl 225099971 SAFUBJHFHIZJQQ-UHFFFAOYSA-N 357.888 4.343 0 40 FIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1C 225897792 HIIPVJMOAORUSP-FQEVSTJZSA-N 366.502 4.119 0 40 FIAB COc1cc(-c2nc3cc(-n4cccc4)ccc3o2)cc(OC)c1OC 226247709 SBDKQMAOHIABRH-UHFFFAOYSA-N 350.374 4.311 0 40 FIAB COc1cc(C(=O)O)cc(CSC)c1OCc1ccc(Cl)cc1 226288434 CMNQQUVWSKSBPC-UHFFFAOYSA-N 352.839 4.489 0 40 FIAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(C)cc2)cc1 408849421 ZWTIDEHLLGLGBM-RCCKNPSSSA-N 369.424 4.233 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1C 409119217 SDJFVUSFEQCHQD-INIZCTEOSA-N 370.518 4.395 0 40 FIAB COc1ccc2c(c1)CCCN(C(=O)N[C@@H](c1ncccc1C)C(C)C)C2 522396342 YAMFSKSUIUOHOR-HXUWFJFHSA-N 367.493 4.254 0 40 FIAB Cc1cccc(-c2n[nH]cc2CN2C[C@H](c3ccsc3)O[C@H](C)C2)c1 539850070 CZBSLBUPAKZVDO-DNVCBOLYSA-N 353.491 4.409 0 40 FIAB COC(=O)c1ncnc(Oc2ccc([C@H](C)c3ccccc3)cc2)c1OC 1650733267 UYJMWIGYQFIODR-CQSZACIVSA-N 364.401 4.216 0 40 FIAB O=C(NCc1ccccc1)c1cnc(-c2cnc3ccc(Cl)cn23)s1 2037838350 FONMIBWBONXMQG-UHFFFAOYSA-N 368.849 4.041 0 40 FIAB Cc1ccc(C(=O)NC(NC(=O)c2ccc(C)cc2)c2ccccc2)cc1 657598 KLZUKLUWPGUDPC-UHFFFAOYSA-N 358.441 4.162 0 40 FIAB COc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1OC 2240221 PIDCDMWMZXJCQL-UHFFFAOYSA-N 372.384 4.246 0 40 FIAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccncc2)nc2ccccc12 3044566 PEFXJLLRQHHPCS-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB Cc1cc(C)c(NC(=O)c2ccccc2I)c(C)c1 3127778 BVPDKPRXUIHIGA-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2F)c1Cl 3394527 TXCADAVQJWLCGN-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(OCc2ccccc2)cc1 3415726 OGQIAJLJVAVIMV-CYBMUJFWSA-N 371.487 4.236 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3429747 GDRJVMAFTHJJPM-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB CCCOc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1 4169067 UAADIQOKFJAYOB-UHFFFAOYSA-N 370.405 4.218 0 40 FIAB Cc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(Br)c2C)cc1 4666997 ORVLSECWBZTSKO-LLVKDONJSA-N 350.260 4.161 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc(Cl)c1 4800599 ADNYAARMIIJAGR-UHFFFAOYSA-N 372.881 4.349 0 40 FIAB Cc1cccc(CC(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 5146306 OGCIQHAEGVIUHW-UHFFFAOYSA-N 354.450 4.159 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2cc(Cl)ccc2Cl)c1C 6079002 VASZBCDCONAZDL-UHFFFAOYSA-N 370.232 4.377 0 40 FIAB Cc1cccn2cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc12 6105358 RPKWXZYROMFLFF-UHFFFAOYSA-N 361.474 4.393 0 40 FIAB C/C(=C(/NC(=O)c1ccccc1)C(=O)NC1CCCCC1)c1ccccc1 6373491 JEQKNPOGKJENKB-FXBPSFAMSA-N 362.473 4.297 0 40 FIAB O=C(NCCc1nc2ccccc2n1Cc1ccccc1)C1CCCCC1 6446427 IWCDOYUUJFXBCE-UHFFFAOYSA-N 361.489 4.324 0 40 FIAB COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc1Cl 6648682 HWFTWBZQDWTKJP-SFHVURJKSA-N 374.868 4.050 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 6954738 YCFRQXYPWGNVII-UHFFFAOYSA-N 360.841 4.210 0 40 FIAB CN(C)c1cccc(C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 7434985 JDHYQEWKWPEHIQ-UHFFFAOYSA-N 374.440 4.362 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(F)cc2)c1 7601329 HPSUIXRLCQGWMN-UHFFFAOYSA-N 372.469 4.355 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2cccs2)cc1 7601430 ILTOULMSJMQKGR-UHFFFAOYSA-N 360.508 4.277 0 40 FIAB COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1cccs1 8470599 OPKCURUFXHLWPB-AWEZNQCLSA-N 367.898 4.258 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)nc3ccccc23)c1 8718582 BTDSBGJYCOPBHR-UHFFFAOYSA-N 361.445 4.278 0 40 FIAB Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)cnn1-c1ccccc1 8935831 JCXAKJNARGLGQH-UHFFFAOYSA-N 374.271 4.460 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 9198954 HVDNJUZHUFQXCK-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB Clc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)s1 9637621 RFOIHMKCRHNSHD-UHFFFAOYSA-N 350.900 4.434 0 40 FIAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccc(F)cc1 9690647 BIVAXTMCVGWYSP-CWTRNNRKSA-N 357.406 4.059 0 40 FIAB CC(C)[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1ccc(F)cc1 9691817 AFSKYPWVVXFQKZ-HNNXBMFYSA-N 372.425 4.026 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 11008560 UXABAZLWQLXONX-CQSZACIVSA-N 373.888 4.069 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2nc(-c3ccccc3F)sc2C)cc1 11691896 MGQWMIPOXLEHEX-UHFFFAOYSA-N 369.421 4.468 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12549956 LCQKOLOGYGQZDI-OAHLLOKOSA-N 369.852 4.090 0 40 FIAB COc1ncccc1C(=O)NC1=NC2=C(CCCC2)C2(CCCCC2)S1 12914512 BOAXXLGORGSWSE-UHFFFAOYSA-N 371.506 4.454 0 40 FIAB Cc1cc(C(=O)O)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 13391071 PNWWORNLXOCJOT-JTQLQIEISA-N 368.216 4.406 0 40 FIAB O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1c(Cl)cccc1Cl 13577274 USINDGUKZSPZEZ-HNNXBMFYSA-N 374.227 4.219 0 40 FIAB Cc1ccc([C@@H](NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 14577312 RVOBKEPNELPKAF-QFIPXVFZSA-N 359.425 4.286 0 40 FIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 16751663 OSYCMSDGKPBOEE-GOSISDBHSA-N 351.377 4.277 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3Cl)[nH]c2c1 16765202 ZCUJFLYUMMSDBS-SNVBAGLBSA-N 361.854 4.344 0 40 FIAB CCc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cs1 19522120 CTSYUTXRHGOQMI-LBPRGKRZSA-N 373.503 4.442 0 40 FIAB COc1cccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 20486235 IAWRAEZFJYFNEX-LLVKDONJSA-N 354.233 4.086 0 40 FIAB CCOc1ccc2nc(NC(=O)c3cncn3-c3ccccc3)sc2c1 22024668 XCHVXIOPBCQJCQ-UHFFFAOYSA-N 364.430 4.133 0 40 FIAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1 22506857 CZNOBDFYTRQYCM-UHFFFAOYSA-N 367.449 4.419 0 40 FIAB O=C(NCc1ccncc1)c1cccc(-c2ccc(C(F)(F)F)cn2)c1 22996630 PEBDUIHJVNCIHN-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB NC(=O)c1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1Cl 32769477 ARQDSRVGFLVCTF-UHFFFAOYSA-N 366.804 4.484 0 40 FIAB O=C(Nc1ccc(C(=O)NC2CCCCCCC2)cc1)c1ccncc1 32815844 JNRSWEKJUDRGJS-UHFFFAOYSA-N 351.450 4.177 0 40 FIAB Cc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 35648348 XLZODVCJINYNHZ-RBFDBLARSA-N 369.467 4.022 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1[nH]c2ccccc2c1Cl 36398491 BPXGXAHPTDZGQQ-LBPRGKRZSA-N 356.809 4.314 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1oc2c(c1C)C(=O)CCC2 40132081 CWYUYJINEFUJTR-UHFFFAOYSA-N 363.417 4.162 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)ccc21 40143195 NMFVKCIZWSTFLO-CYBMUJFWSA-N 356.853 4.130 0 40 FIAB C[C@H](CC(=O)N[C@H](c1ccccc1)C1CCCC1)NC(=O)c1ccccc1 40152026 DXWZAEXYGOTBFI-VGOFRKELSA-N 364.489 4.243 0 40 FIAB CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1 43194409 NCWZOASIUQVOFA-NSCUHMNNSA-N 359.441 4.280 0 40 FIAB fda C[C@@H]1C[C@H]1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1 45209795 XVAUQMOGZLUEQB-WIYYLYMNSA-N 354.538 4.125 0 40 FIAB biogenic Cc1cc(NC(=O)Nc2cccc(COCCOc3ccccc3)c2)no1 56329759 KXWSMPUZUBAWPG-UHFFFAOYSA-N 367.405 4.223 0 40 FIAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Nc2ccccc2)cc1 56423689 VCYMWFHNHKOLJN-LJQANCHMSA-N 351.450 4.160 0 40 FIAB Cc1nc(NCCCCNc2ccccn2)c2c3c(sc2n1)CCC3 58223375 VXQKLNSRWPFVAA-UHFFFAOYSA-N 353.495 4.188 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 59960822 BABIFPODNNKDGQ-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB CCOC(=O)c1cccc(NC(=S)Nc2ccc(OC)c(Cl)c2)c1 71761823 MUFFYHZTXJTHOV-UHFFFAOYSA-N 364.854 4.334 0 40 FIAB O=C(NCC1(CCO)CCCCC1)Nc1ccccc1N1CCCCC1 75108957 UPBFVOPXLUDPNI-UHFFFAOYSA-N 359.514 4.131 0 40 FIAB Cc1ccc([C@@H]2CSCCN2C(=O)CSc2ccc(F)cc2)o1 76067475 DBXFAQRRENVSSH-HNNXBMFYSA-N 351.468 4.136 0 40 FIAB Clc1cnc2oc(-c3ccc(I)cc3)nc2c1 78406991 NXHHHMLAHZGCDG-UHFFFAOYSA-N 356.550 4.148 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=S)N1CCC2(CC1)OCCO2 84625300 FBIJMMMUTQVYGY-UHFFFAOYSA-N 362.539 4.469 0 40 FIAB c1cc2c(cc1[C@@H](NCc1cnc([C@@H]3CCCO3)s1)C1CC1)OCCO2 89800379 QNYAUIHIQVATKF-HKUYNNGSSA-N 372.490 4.007 0 40 FIAB C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2ccccc2n1 89921976 KMFUGPPUSVCDKO-SWLSCSKDSA-N 363.392 4.221 0 40 FIAB C[C@@H](ONC(=O)c1cccc(Br)c1)c1ncc(C(C)(C)C)o1 95972262 WJAFXGGUUHZRAM-SNVBAGLBSA-N 367.243 4.157 0 40 FIAB c1ccc2c(c1)C1C[C@@H](CNc3ncnc4nccnc34)C2c2ccccc21 95973295 XFAQNFPQNJPHJN-JAGHRAMZSA-N 365.440 4.129 0 40 FIAB Cc1c(C(=O)O)oc2c1C(=O)/C(=C/c1csc(-c3ccccn3)n1)CC2 96310729 LIGHWWXCWNBLFR-DHZHZOJOSA-N 366.398 4.017 0 40 FIAB Cc1ccc(COc2ccc(CNC[C@@H]3CCN(C4CC4)C3)cc2)cc1 97287792 MHKCOHSLJVIFPA-NRFANRHFSA-N 350.506 4.148 0 40 FIAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 98211474 ZSHVAKOSXNZIDM-UHFFFAOYSA-N 358.401 4.152 0 40 FIAB Cc1cccc(C2=C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)c1 101352749 WFHMOANIOJIBMY-KRWDZBQOSA-N 367.250 4.405 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 108889434 LESLNBQDZZRTFF-HRCADAONSA-N 366.427 4.180 0 40 FIAB COc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222581115 XAGDBFWIAPNSND-GOPGUHFVSA-N 359.882 4.333 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)s1 222831734 RKXAVSCTYMIEFR-CYBMUJFWSA-N 351.497 4.145 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 222964873 AHDONPZXYSHBIH-FXAWDEMLSA-N 371.477 4.053 0 40 FIAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224415362 YTWJVCKQQLANJS-MOPGFXCFSA-N 366.465 4.219 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(C)cc1C 224442008 WRLKAWYKMNVCQT-KRWDZBQOSA-N 361.869 4.309 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 224706038 XOMHBCLUQZUUKX-SFHVURJKSA-N 355.478 4.389 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COC(C)C 224718917 WFVBELJWFDSARV-UHFFFAOYSA-N 370.449 4.221 0 40 FIAB CCCCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 225401851 KZXCBQNDNKKZGJ-JXAWBTAJSA-N 356.491 4.134 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)C 225631052 YAAXMCZYZUHYJB-LBPRGKRZSA-N 359.297 4.035 0 40 FIAB Cc1cc(N)cc(Br)c1NC(=O)COc1ccc(Cl)cc1 227145382 BFAUMQHNLLBXHG-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB COc1ccc(CC(=O)N[C@@H](c2ccsc2)c2cccs2)cc1OC 390826202 FJWCQBOMJOTOPO-IBGZPJMESA-N 373.499 4.275 0 40 FIAB CC(C)C(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 408629301 VZWDORARUMBGQO-UHFFFAOYSA-N 371.912 4.257 0 40 FIAB O=S(=O)(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc(Cl)cc1 408713052 IILKWHNSMNYSMA-UHFFFAOYSA-N 368.245 4.184 0 40 FIAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCCC1 408999876 SSPJGJHPVRQVGX-IBGZPJMESA-N 360.498 4.167 0 40 FIAB O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCC[C@H]1c1ccncc1 508918553 SQNPJZLXXKJMBS-NRFANRHFSA-N 364.470 4.274 0 40 FIAB O=C(O)c1cccc(Cl)c1CN1CCO[C@@H](c2cccc(Cl)c2)C1 574922424 SJCOURUBQJEURU-QGZVFWFLSA-N 366.244 4.265 0 40 FIAB C[C@@H]1C[C@H](NC(=O)N[C@H](c2ccccc2)[C@H]2CCCc3ccccc32)CO1 1230722320 FGHHLQHNBORZEV-JJJJLYANSA-N 364.489 4.324 0 40 FIAB CCOC(=O)Nc1ccc(NC(=O)C[C@H]2CCc3sccc3C2=O)cc1 1333733605 HMICRPRPLPFDTG-GFCCVEGCSA-N 372.446 4.090 0 40 FIAB CC1(C)CC(Nc2nc(-c3ccccn3)nc3sccc23)CC(C)(C)N1 1650175978 ZAUSZGYLSLILAV-UHFFFAOYSA-N 367.522 4.474 0 40 FIAB COc1cccc(CN2CCC(c3cn4cccc4c(C)n3)CC2)c1F 2037838359 FVNSALZFWGQCER-UHFFFAOYSA-N 353.441 4.170 0 40 FIAB Cc1ccnc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c1 2037988678 DGAZVIKLRLBKGY-UZLBHIALSA-N 367.468 4.049 0 40 FIAB Cc1cc2ncn(S(=O)(=O)c3cc(Cl)ccc3Cl)c2cc1C 677947 DVJCPXLUKIDECK-UHFFFAOYSA-N 355.246 4.197 0 40 FIAB Cc1ccc(NCc2nnc(SCC(=O)c3ccc(C)cc3)n2C)cc1 862137 ITPGPCQVZAAIRZ-UHFFFAOYSA-N 366.490 4.019 0 40 FIAB CCC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OC 871353 LRPGOGJKGVHTNR-UHFFFAOYSA-N 374.462 4.061 0 40 FIAB COc1ccc2nc(-c3ccc(NC(=O)CN4CCCC4)cc3)sc2c1 1083934 FFMOLIFHHBJQFY-UHFFFAOYSA-N 367.474 4.006 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nnc3sc4ccccc4n23)c1 1465855 VGZWXIZKLXTNFS-UHFFFAOYSA-N 368.487 4.292 0 40 FIAB COc1cc(NC(=O)c2cc(-c3cccs3)on2)c(OC)cc1Cl 2465667 IESAZOXEIHGUPG-UHFFFAOYSA-N 364.810 4.326 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccc(I)cc1 3127781 UOFVMBRVSGUUJV-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB CCN(C(=O)COc1ncnc2ccccc12)c1cccc2ccccc12 3267014 XLHKWNJIZVXONV-UHFFFAOYSA-N 357.413 4.215 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CNc1cccc(Br)c1 3427309 ZYYFQUGLBQGWFW-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)Cc4ccccc4)[C@H]3C=C12 4084382 XXGSVFUSBZGYSU-LUBSMZHTSA-N 351.490 4.353 0 40 FIAB biogenic O=C(OCC(=O)c1ccc(Br)s1)c1cc2ccccc2o1 4332587 JYFZGFNQRKELPI-UHFFFAOYSA-N 365.204 4.297 0 40 FIAB Cc1cc(C)c(C)c(C(=O)C[C@]2(O)C(=O)N(C(C)C)c3ccccc32)c1C 4554716 LZDKDWWHGPCWRC-HSZRJFAPSA-N 365.473 4.136 0 40 FIAB CCOc1ccc(-c2nnc(SCc3cn4ccccc4n3)o2)cc1 5170214 CXARVYOMJBGQDE-UHFFFAOYSA-N 352.419 4.075 0 40 FIAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc3ccccc23)C1=O 5791964 WJVAUHLLALTYJK-OAQYLSRUSA-N 366.367 4.085 0 40 FIAB COc1ccc(-c2nc3c(s2)CN(C(=O)/C=C/c2ccco2)CC3)cc1 6719912 IATMTSQJWCXKKA-CMDGGOBGSA-N 366.442 4.010 0 40 FIAB Cc1cc(OCC(=O)Nc2nonc2-c2ccccc2)cc(C)c1Cl 6747672 NNZMTIYBXIATLZ-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 7977618 AAEXVOQNHYXARI-SFHVURJKSA-N 363.244 4.351 0 40 FIAB O=C(Nc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1)c1ccco1 8095423 WNWQNZJPBGJGMQ-NVXWUHKLSA-N 352.434 4.184 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2cccc(C)c2C)cc1 8415098 GVNQAUHQRMMPEK-UHFFFAOYSA-N 368.502 4.494 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2C)n1 8476485 YCALRLRFHLMAMQ-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccs3)ccc21 8958914 KCMCJVJHCDUIJP-UHFFFAOYSA-N 358.463 4.162 0 40 FIAB CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccccc1C 9499890 LCMKTTAWFSYTLT-UHFFFAOYSA-N 366.490 4.029 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1nc2ccccc2s1 10405966 CDLWZEGDDPYGAA-UHFFFAOYSA-N 355.419 4.079 0 40 FIAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc2c(c1)OCO2 10427339 MNWIUKQHMPBMRN-UHFFFAOYSA-N 357.369 4.007 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1F 11428716 LGCYKGXGGSPADJ-UHFFFAOYSA-N 353.372 4.200 0 40 FIAB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1cccc(Cl)c1Cl 11719729 ALVXLLNPAMCULC-QMMMGPOBSA-N 357.266 4.039 0 40 FIAB Cc1ccc(CCC(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c(C)c1 12532083 HPAZDOHXQWTBQS-NRFANRHFSA-N 365.452 4.014 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc4cc(C)ccc4nc3C)CC2)c1 12554800 MNKFCQIERVUSMT-UHFFFAOYSA-N 359.473 4.122 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 12562557 QTPMIBYOJKNBJL-AWEZNQCLSA-N 371.868 4.214 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(Cl)c1 12597528 SGMBIXCLVYNWDM-IBGZPJMESA-N 372.877 4.111 0 40 FIAB O=C(NCCCc1nc2ccccc2s1)c1cccc(OC(F)F)c1 12976835 WGPBLLSOGBTEHQ-UHFFFAOYSA-N 362.401 4.260 0 40 FIAB Cc1cccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2C)c1 12983239 ISDJJLFGYABNMO-UHFFFAOYSA-N 356.520 4.004 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 14085748 FJYUKUCVBINDMF-HNNXBMFYSA-N 374.506 4.139 0 40 FIAB Cc1ccc(CSCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 14115501 YTVRQUXKZSRSMA-UHFFFAOYSA-N 353.443 4.282 0 40 FIAB COc1ccccc1CNC(=O)N[C@H](c1ccccc1)c1cccs1 14142081 BIDUXEILEDYWSL-LJQANCHMSA-N 352.459 4.346 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2NC1=O 14171321 LOYFEVGRMRQBJK-GFCCVEGCSA-N 370.449 4.063 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(C)cc2C)cc1 15300706 ARXYRURWNPXBGV-JOCHJYFZSA-N 366.505 4.108 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N(C)C)o1 15860347 NPOJNQVTOLGFKN-ZDUSSCGKSA-N 362.882 4.489 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2ccccc21 15978849 IAQZTQUYCNHIGH-UHFFFAOYSA-N 361.417 4.455 0 40 FIAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1cc(F)cc(F)c1 16305324 GZTQZAAUDSHDHP-UHFFFAOYSA-N 368.177 4.329 0 40 FIAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc(Cl)c1 17073727 JSKWBEZVWWBKSP-UHFFFAOYSA-N 356.834 4.326 0 40 FIAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2ccccc2OC)s1 17208688 WKUOAULFFPWXNY-AWEZNQCLSA-N 353.447 4.341 0 40 FIAB COc1ccc2c(c1)C[C@@H](c1cccnc1OC)N[C@H]2[C@H]1CC=CCC1 19562557 AFKBBASLJUWZNQ-JHVJFLLYSA-N 350.462 4.383 0 40 FIAB COc1cc(CN[C@@H](Cc2ccsc2)c2nccs2)cc(OC)c1 19595150 LWGAUOJKCBHMIK-KRWDZBQOSA-N 360.504 4.295 0 40 FIAB O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(F)c(F)c1F 19683111 XFUWLFVWSBMIJA-UHFFFAOYSA-N 373.739 4.073 0 40 FIAB Cc1cc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc(C)c1Cl 21800378 QDXKBLSRWNGKTB-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(C)(C)C 22259110 VTAOFRMHVWMFIW-UHFFFAOYSA-N 353.871 4.447 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 22509523 HSTPUTPPMNTTKO-SFHVURJKSA-N 355.478 4.483 0 40 FIAB COc1ccc(SCC(=O)NCCSc2ccc(C)c(C)c2)cc1 23299716 MMZIHEWZBRSPGF-UHFFFAOYSA-N 361.532 4.313 0 40 FIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc2c(c1)CCCC2 25275645 JEUFEBVBTLLLMC-UHFFFAOYSA-N 365.433 4.261 0 40 FIAB O=C(CCc1cccnc1)Nc1ccccc1N1CCc2ccccc2C1 25799726 JNGTUOMSXSORQO-UHFFFAOYSA-N 357.457 4.216 0 40 FIAB COc1ccccc1-c1noc(CNc2cccc(-c3ccnc(C)n3)c2)n1 31785672 ZJOMKASUYMUWSJ-UHFFFAOYSA-N 373.416 4.123 0 40 FIAB O=C(/C=C/c1ccccc1Cl)N1CCC(c2nnc(C3CC3)o2)CC1 38518635 ZHEQUMZQCFNLQC-BQYQJAHWSA-N 357.841 4.020 0 40 FIAB CCc1n[nH]c(SCc2cc(Cl)ccc2OCc2cccnc2)n1 42571607 TXNBPDZKTDPGJS-UHFFFAOYSA-N 360.870 4.287 0 40 FIAB O=C(Nc1ccccc1Cn1cccn1)N1CCC[C@H]1c1ccsc1 46007563 FKEFBLTYQKDMAK-SFHVURJKSA-N 352.463 4.362 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1)c1ccccn1 47248078 PQCBOLIFWXXIDL-UZLBHIALSA-N 363.461 4.129 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(-c2nc(C3CC3)n[nH]2)c1 47420934 YXNCUJOYYFLZKA-AWEZNQCLSA-N 362.433 4.064 0 40 FIAB O=C(Cc1ccccc1)Nc1cc(NC(=O)N2CCCCCC2)ccc1F 47627654 HGCZMXSIMRDSCJ-UHFFFAOYSA-N 369.440 4.415 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@@H](c1ccccc1)C1CCCC1 48332132 BDALJBYBVCFFOG-FQEVSTJZSA-N 361.449 4.320 0 40 FIAB CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1csc(-c2ccccn2)n1 48366246 JPZYXICMIXLBJC-MRXNPFEDSA-N 370.865 4.445 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N3CCc4sccc4[C@H]3C)c2)no1 64545256 NXBQWATZBFWQHW-LLVKDONJSA-N 354.435 4.258 0 40 FIAB C[C@H](C(=O)Nc1ccc(F)cc1F)n1c(-c2cccs2)n[nH]c1=S 65576720 OBSKDLMLNXUWID-MRVPVSSYSA-N 366.418 4.147 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)SCc2csc(-c3cccs3)n2)no1 71798139 ORUCKMBULUMOJW-SNVBAGLBSA-N 365.505 4.428 0 40 FIAB Cc1noc2ncc(-c3nnc(COc4ccc5ccccc5c4)o3)cc12 75134628 ZUKJFQNZTRHVHC-UHFFFAOYSA-N 358.357 4.313 0 40 FIAB CCCCNC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 78233062 FHTUSSAJPVQWSU-UHFFFAOYSA-N 360.454 4.086 0 40 FIAB Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(C)c1 79067561 WLJBDVAYXGYXQO-IAGOWNOFSA-N 361.486 4.261 0 40 FIAB CC(C)c1nc2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2s1 89893728 LORCKMOQSYOFOD-CYBMUJFWSA-N 371.506 4.149 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)COc1ccc(Br)cc12 91301877 BIPDNNVZTQRXHY-UHFFFAOYSA-N 368.271 4.110 0 40 FIAB COc1ccc(C(=O)N(Cc2cnc3ccccn23)c2ccccc2)cc1 96102990 QIEVLBDCVUSOTK-UHFFFAOYSA-N 357.413 4.190 0 40 FIAB COc1cccc(NC(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 100419679 OAZFBDGMELALPH-PMACEKPBSA-N 365.477 4.012 0 40 FIAB C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 105578869 FFHZCMYOVZVFAH-FZCLSBEQSA-N 353.466 4.000 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 216224814 YVEDIMCPONMQIM-QRVBRYPASA-N 360.542 4.062 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1-n1ccnc1 216257555 YMKXWMPAVYZCPP-KRWDZBQOSA-N 371.440 4.109 0 40 FIAB Ic1cccc(-c2nc(-c3cccs3)no2)c1 216667696 RVWSSYYKSDNNGU-UHFFFAOYSA-N 354.172 4.070 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(OC)c1 218973997 GDXRRPKONZDDKS-CRAIPNDOSA-N 357.450 4.047 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 222808404 RECKQXBVNQRXJM-RTBURBONSA-N 354.523 4.381 0 40 FIAB Cc1cc(Br)cnc1NC(=S)NCc1ccccc1Cl 223933781 JFADRZVMDZAWEF-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1cccc(C(F)(F)F)c1 224438744 FCZVSJGSYWVIOK-MRXNPFEDSA-N 351.368 4.488 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)CCCOc3ccccc3)s2)cc1 224489425 PQHZYMNPTRGCQN-UHFFFAOYSA-N 353.447 4.311 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1 224530089 VKXULQWDYDCXGE-UHFFFAOYSA-N 370.924 4.219 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2NC(=O)COc1cccc2c1CCCC2 225027441 JIRMTJPLJINSAX-OAQYLSRUSA-N 365.473 4.147 0 40 FIAB CC[C@H](CNC(=S)Nc1ccc(OC)cc1OC)Cc1ccccc1 225630314 VWTKGFUPHAOMKR-HNNXBMFYSA-N 358.507 4.259 0 40 FIAB COc1cccnc1NC(=S)N[C@H](c1ccccc1)c1cccc(C)c1 225701880 KUJPEMIPEZBAGR-LJQANCHMSA-N 363.486 4.475 0 40 FIAB COc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225763631 XFIOVHAMQDITIB-QGZVFWFLSA-N 356.422 4.128 0 40 FIAB C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(C(F)(F)F)c1 225781963 AQPVKDVXCUWKIT-LBPRGKRZSA-N 354.397 4.459 0 40 FIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1F 225810821 JVQRZEYXEMKQCC-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1C[C@H]2C=C[C@H]1C2 255189255 ORKPRBPGVPXTQO-MWODSPESSA-N 351.777 4.065 0 40 FIAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2Cc2ccccc2F)n1 257319524 VSXQVKMJXQJSNB-SFHVURJKSA-N 351.429 4.041 0 40 FIAB S=C(NC[C@@H]1CCCO1)c1cccc(OCc2ccccc2Cl)c1 408578595 ZCVQIJLPYMRFJN-KRWDZBQOSA-N 361.894 4.363 0 40 FIAB O=C(NCc1cc(F)c(C(F)(F)F)cc1F)[C@H]1CCc2cccc(O)c21 552146447 IAELYHQGEXRDRB-NSHDSACASA-N 371.305 4.035 0 40 FIAB O=C(c1ccc(Oc2cccnc2)cc1)N1CCC=C(c2cccnc2)C1 556882579 ANCRGJWXNMKBPM-UHFFFAOYSA-N 357.413 4.198 0 40 FIAB O=C(c1cccnc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442935 KMQXXRVZUKULGO-UHFFFAOYSA-N 355.401 4.454 0 40 FIAB Cn1cc(CC(=O)N[C@H](c2cccs2)C2CCOCC2)c2ccccc21 585149438 SCNYQMZEBJCAMX-NRFANRHFSA-N 368.502 4.066 0 40 FIAB C[C@H](C1CC1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 722982831 OYBQZMFDYOVZDB-XCLFUZPHSA-N 365.429 4.024 0 40 FIAB O=C(c1ccc(OCc2ccccc2)cn1)N1CC(Cc2cccs2)C1 1170080553 NPYCAFMSMXYPGQ-UHFFFAOYSA-N 364.470 4.037 0 40 FIAB CC1(C)CC[C@H](Sc2nc(CN3CCOCC3)nc3ccccc23)C1 1188547156 MWVPIVNDSZCDPW-HNNXBMFYSA-N 357.523 4.133 0 40 FIAB COc1cccc2nc(NC(=O)C(C)(C)Cc3ccc(O)cc3)sc12 1639251266 YXOMUHNCYFCBND-UHFFFAOYSA-N 356.447 4.218 0 40 FIAB O=C(Nc1nc(Sc2ccccc2)ns1)N1C[C@H]2CC=CC[C@H]2C1 1669742219 RYNKYEPBMGRQLO-BETUJISGSA-N 358.492 4.119 0 40 FIAB CCN(CC)c1ccc2cc(C(=O)Nc3cccc(F)c3)c(=O)oc2c1 659352 FDKSPYRKIZLSKY-UHFFFAOYSA-N 354.381 4.031 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)c(C)c1 797517 JUWXFWGYPXWSDE-UHFFFAOYSA-N 358.511 4.210 0 40 FIAB CN(Cc1ccccc1)C(=S)NC(=O)/C=C/c1cccc2ccccc12 1097556 VSCFWCOGWBJNHR-CCEZHUSRSA-N 360.482 4.386 0 40 FIAB Cc1cccc(N2C(=O)C=C(Sc3nc4ccccc4s3)C2=O)c1 2350130 PSCIUDXZQRLORK-UHFFFAOYSA-N 352.440 4.154 0 40 FIAB CCCCCCn1c(N)c(C(=O)N[C@H](C)CC)c2nc3ccccc3nc21 2367706 LEOVMQSTUDQXAY-CQSZACIVSA-N 367.497 4.275 0 40 FIAB CC(C)c1nc2sc3c(=O)[nH]c(=S)[nH]c3c2c2c1COC(C)(C)C2 2415252 ZXLSVWGSRDHMEM-UHFFFAOYSA-N 361.492 4.170 0 40 FIAB O=C(CSc1ncnc2ccccc12)c1ccccc1Br 3298878 MMSXMWZFODQHMA-UHFFFAOYSA-N 359.248 4.367 0 40 FIAB CCn1c([C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)nc2ccccc21 4033579 QOJGJBHQSUYDAB-CYBMUJFWSA-N 369.852 4.239 0 40 FIAB CCc1nnc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)s1 4125372 VLABLQSIEJAMNT-UHFFFAOYSA-N 369.475 4.006 0 40 FIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)cc1 4188733 GLGNKIVYVUVPRK-PRLPJYAQSA-N 359.425 4.489 0 40 FIAB CN(C)CCCN(C(=O)c1cccs1)c1nc2ccc(F)cc2s1 4359583 CVZKWPXEQNKXQL-UHFFFAOYSA-N 363.483 4.095 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3c(Cl)cccc3Cl)c2c1 4487689 LSQLXACFFFIFGB-UHFFFAOYSA-N 363.244 4.456 0 40 FIAB biogenic CC1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 4535935 VQHPTMNAPFTMFI-UHFFFAOYSA-N 361.077 4.084 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1C 4903280 FQKABNNLCMHZJY-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(F)cc3)n2)cc1 5061897 VJTDJGCDWUSWFQ-UHFFFAOYSA-N 370.405 4.053 0 40 FIAB C[C@@H](OC(=O)c1cc2ccccc2s1)c1nc2ccccc2c(=O)[nH]1 5088280 CYTFPERLRLDBAN-LLVKDONJSA-N 350.399 4.056 0 40 FIAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 5374074 GLZADQBUEFWFIU-UHFFFAOYSA-N 358.388 4.152 0 40 FIAB S=c1oc(-c2ccccc2Br)nn1CN1CCCCCC1 5680149 KZXNHIUHZDFQNZ-UHFFFAOYSA-N 368.300 4.469 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccco1 6881219 XCADQBWHCPRCRK-UHFFFAOYSA-N 361.850 4.324 0 40 FIAB Cc1ccc(C)c(C(=O)COc2ncnc3ccc(Br)cc23)c1 6999564 YQVUGKOYCDVIQC-UHFFFAOYSA-N 371.234 4.271 0 40 FIAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 7058001 BOVXRQNBEOXQDA-ZDUSSCGKSA-N 365.433 4.127 0 40 FIAB O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)c1ccc(Cl)s1 7062642 ZZHPKWAOJFVAAS-FPYGCLRLSA-N 372.776 4.442 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)C1(c2ccc(Cl)cc2)CCC1 8037706 JFFPPKDNXRWWRD-UHFFFAOYSA-N 357.837 4.149 0 40 FIAB CCN1CCC(NCc2cn(-c3ccccc3)nc2-c2cccs2)CC1 8190652 TXGYUDPLOIZOCJ-UHFFFAOYSA-N 366.534 4.175 0 40 FIAB COc1ccc2cc(CN(C)C(=O)COc3ccc(F)cc3)ccc2c1 8360923 SHBYTYLYDHQGMU-UHFFFAOYSA-N 353.393 4.025 0 40 FIAB CCN(CC)C(=O)COc1ccc(-c2ccccc2)cc1Br 8566722 BHLANEIOWUFWNO-UHFFFAOYSA-N 362.267 4.363 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 10372274 WNDKLVGYWLOUBD-UHFFFAOYSA-N 372.468 4.496 0 40 FIAB COc1ccccc1N(C(C)=O)c1nc(COC(=O)C2CCCC2)cs1 10809170 KRBKMDISXMIIHC-UHFFFAOYSA-N 374.462 4.070 0 40 FIAB O=C1CCCN1c1cccc(C2=Nn3cc(-c4ccccc4)nc3SC2)c1 11126706 QUJGKQVFCWHVFE-UHFFFAOYSA-N 374.469 4.035 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 11517285 CCBDWOFMUMYVGD-UHFFFAOYSA-N 360.373 4.011 0 40 FIAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2cccs2)C1 12238732 FYSUUDKUGRLFSN-INIZCTEOSA-N 364.474 4.044 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 12521073 RFHUXQDIEHNCNC-UHFFFAOYSA-N 354.269 4.202 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COc1cccc(Oc2ccccn2)c1 12527615 DTAKCDSUHSJHMC-INIZCTEOSA-N 360.413 4.231 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1C(C)C 13995576 RBGRPNQJDQFVEC-UHFFFAOYSA-N 373.309 4.459 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)c2cc3c(ccc4ccccc43)o2)cc1 14197495 ICJDUTRMDPOHOF-UHFFFAOYSA-N 350.395 4.221 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1cnn(-c2ccccc2)c1 14796457 KZAQPWKYNAJXKI-UHFFFAOYSA-N 360.186 4.026 0 40 FIAB COc1ccc(NCC(=O)Nc2cc(C)c(Cl)cc2OC)cc1Cl 15124225 DCBWZGZLJVYPRB-UHFFFAOYSA-N 369.248 4.370 0 40 FIAB CC1(C)c2nc(N3CCCC3)sc2Cc2sc(N3CCCC3)nc21 16605491 DDBLCAOIPNOINQ-UHFFFAOYSA-N 360.552 4.030 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1 18078607 LPBSISDMIBDSCG-UHFFFAOYSA-N 352.478 4.069 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 20459013 GAQUJNNNYYHQFL-KUHUBIRLSA-N 372.440 4.150 0 40 FIAB CCOc1ccc(CCC(=O)N2c3ccccc3C[C@@H]2C)cc1OCC 20485838 YVEMXXPGYPCKMP-INIZCTEOSA-N 353.462 4.394 0 40 FIAB Cc1nc(Nc2ccccc2)[nH]c(=O)c1Cc1ccc(Br)cc1 20634963 WIHYELMHQMUVDT-UHFFFAOYSA-N 370.250 4.175 0 40 FIAB O=C(Nc1ccccc1-c1cccs1)c1ccc(Cn2cncn2)cc1 21899336 UKHNRXVKDRQGRX-UHFFFAOYSA-N 360.442 4.307 0 40 FIAB COc1ccc(-c2csc(Nc3nc(Cl)nc(Cl)n3)n2)cc1 27788819 IURHXJACUBOSNS-UHFFFAOYSA-N 354.222 4.054 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3Cl)cs2)cc1 27993798 HFIAPSQVEWHACE-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc2c(c1)OCCCO2 29412434 MSFVSJOZYGBAAC-UHFFFAOYSA-N 351.446 4.090 0 40 FIAB CCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2)cc1 32766798 RNLDSHXKPBWNCI-INIZCTEOSA-N 355.434 4.440 0 40 FIAB COc1ccc(F)cc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 32898843 WDYMICGTJQVRLP-UHFFFAOYSA-N 352.409 4.335 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2c1 40050929 UFABFWMYXHCBKO-IBGZPJMESA-N 350.418 4.066 0 40 FIAB CN(C[C@@H]1CCCN1C(=O)Nc1cccc2cccnc12)c1ccccc1 58161380 LSSFAWXGJGOGHM-IBGZPJMESA-N 360.461 4.368 0 40 FIAB O=C(C[C@@H]1OC(=O)c2ccccc21)N[C@H](c1cccs1)C1CCCC1 65474876 ORASRYNIYYMWMT-LPHOPBHVSA-N 355.459 4.397 0 40 FIAB CN(Cc1cccc2ccccc12)C(=O)c1ccn(-c2cccc(F)c2)n1 65529309 BRSDROKIDLZJDA-UHFFFAOYSA-N 359.404 4.437 0 40 FIAB O=C(C1=Cc2ccccc2OC1)N(Cc1ccccn1)c1ccc(F)cc1 65565528 LJAAMRLAOJNXRN-UHFFFAOYSA-N 360.388 4.230 0 40 FIAB NC(=O)c1ccc(Cl)cc1NCc1csc(-c2ccccc2F)n1 72312454 NDTNUTAKOAUGOR-UHFFFAOYSA-N 361.829 4.314 0 40 FIAB COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)c2ccccc2)C1 72358462 BOBNYQFLGDIRDV-SFHVURJKSA-N 373.456 4.172 0 40 FIAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(F)c(Cl)c3)n2)c1 75359552 QCTXAURBGAGIEB-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB CC(C)(Oc1ccc2c(c1)CC/C(=C\c1cccc(F)c1)C2=O)C(=O)O 84139917 FYHRQLPSDCNKKO-XNTDXEJSSA-N 354.377 4.280 0 40 FIAB O=C(NCCCn1ccnc1-c1ccccc1)c1cc(-c2ccccc2)on1 90583278 CMDRBZOIMFNUEE-UHFFFAOYSA-N 372.428 4.025 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c(C)c1 95953086 ICXRZBKZMLANLR-UHFFFAOYSA-N 359.369 4.137 0 40 FIAB COCCn1ccc(N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 95991419 VFGUVQPPXPUVSI-LJQANCHMSA-N 357.404 4.204 0 40 FIAB COc1ccc(-c2cc(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)no2)cc1 101222399 WUTOMWQZPOYRFL-YCRPNKLZSA-N 354.450 4.391 0 40 FIAB CCO[C@@H]1C[C@@H](N[C@H](C)c2cc3c(s2)SCC(=O)N3)C12CCCC2 108172350 WJYFAQYBMUXADQ-KCPJHIHWSA-N 366.552 4.181 0 40 FIAB Cc1nnc(SCC(=O)c2ccc3c(c2)CCO3)n1[C@H]1CCC[C@@H](C)C1 127161303 MCQJJIQEBPWOOM-DYVFJYSZSA-N 371.506 4.248 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1cccc2ccccc12 223551770 HSSZGDBNNOPLNY-HXUWFJFHSA-N 367.420 4.332 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cc(C)ccc1C 224024560 OISGDQLGDMAGJI-GOSISDBHSA-N 361.869 4.309 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1 224455673 AYWIWHLIPDIDMR-HXUWFJFHSA-N 351.421 4.495 0 40 FIAB CC[C@@H](NC(=O)CCc1ccc(OC)c(C)c1)c1ccc(OC)c(OC)c1 225326021 LWYKULOHCGVWHJ-GOSISDBHSA-N 371.477 4.221 0 40 FIAB O=C(NCCn1ccnc1C1CC1)C1(c2ccc(Cl)cc2)CCCC1 225566495 IRKWDBPVSRLVBP-UHFFFAOYSA-N 357.885 4.042 0 40 FIAB O=S(=O)(NCCc1ccc(-c2ccoc2)s1)c1ccccc1Cl 390828650 BNDKAXGSINSVOE-UHFFFAOYSA-N 367.879 4.183 0 40 FIAB CSc1ncc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cn1 408527067 AMZFXGZKUWYWGB-UHFFFAOYSA-N 371.274 4.367 0 40 FIAB O=C(NCc1ccccc1)c1ccccc1NC(=O)c1c(F)cccc1F 408616399 YOJIRPQZOGPXKV-UHFFFAOYSA-N 366.367 4.147 0 40 FIAB Cc1ccc(-c2nc(Nc3ccc(C(=O)O)cc3)sc2CC(=O)O)cc1 408897676 ZIUXQFZUVFUGPW-UHFFFAOYSA-N 368.414 4.187 0 40 FIAB CCN(C(=O)CN[C@@H](COC)c1ccccc1)c1cccc2ccccc12 537110673 ODOIJMUDBSTACW-NRFANRHFSA-N 362.473 4.170 0 40 FIAB CN(C)C(=O)c1cccc(-c2nc(-c3ccc(OC(C)(C)C)cc3)no2)c1 573887912 FHCPWUPQBXMLQA-UHFFFAOYSA-N 365.433 4.283 0 40 FIAB CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@H]1CCc2c(Cl)cccc21 584387417 GIKLFDHRXPTMNT-ZWKOTPCHSA-N 372.900 4.481 0 40 FIAB O=C(O)c1cccc(OCCN2CCC(c3ccc(Cl)cc3)CC2)c1 584638628 OPVJQRYSSNYLFO-UHFFFAOYSA-N 359.853 4.297 0 40 FIAB O=C(NCc1cccc2ccccc12)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148988 PIOUNHICIWJAAA-NRFANRHFSA-N 372.468 4.474 0 40 FIAB Cc1cc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)ccc1Oc1cccnc1 639425336 NTFDIBPXAZRRHV-IBGZPJMESA-N 367.493 4.437 0 40 FIAB C[C@@H]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@H](c2ccco2)C1 676164105 AAMFVWLLWQQFFS-DYVFJYSZSA-N 352.434 4.123 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 650411 YUUCKVRWWVMSTJ-UHFFFAOYSA-N 372.881 4.349 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1F)OCO3 930011 ANSORIQPYMDUPJ-UHFFFAOYSA-N 370.405 4.142 0 40 FIAB CC(C)Cc1cc(C(=O)OCC(=O)NC2CCCCC2)c2ccccc2n1 1361197 NRYGOJNZOGBGKI-UHFFFAOYSA-N 368.477 4.039 0 40 FIAB O=C(COC(=O)c1cc2ccccc2o1)c1ccc(Br)cc1 1926065 SJLDLSCWCLVKPT-UHFFFAOYSA-N 359.175 4.235 0 40 FIAB CC(=O)[C@@H](C)OC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3440896 IJERJRPNKVNKOF-CQSZACIVSA-N 368.820 4.327 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1C 4548379 DFPIAJVUZZANOA-AWEZNQCLSA-N 366.417 4.052 0 40 FIAB CCCC(=O)Nc1cc2nn(-c3ccc(N(CC)CC)cc3)nc2cc1C 4739335 YVRILEPHRMVRCR-UHFFFAOYSA-N 365.481 4.314 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2ccc[nH]2)n1-c1ccccc1 4840898 OCLSGZKHGHKONT-UHFFFAOYSA-N 364.430 4.139 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 4998818 YMNLXYPYDNUPOM-OAHLLOKOSA-N 354.450 4.284 0 40 FIAB CCc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)cc1 5111716 UNQSCSAXPDEHSY-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB Clc1ccccc1-n1ncc2c1ncn1c(C3CCCCC3)nnc21 5321687 NGFCTKFJFHYKDQ-UHFFFAOYSA-N 352.829 4.164 0 40 FIAB CC1(C)C(=O)CC[C@]2(C)[C@@H]1CCC[C@H]2OC(=O)c1ccc(C(=O)O)cc1 5369679 HLCQFDVUPLXRDK-QLVMHMETSA-N 358.434 4.106 0 40 FIAB C[C@H](NC(=O)c1sc2ccccc2c1Cl)c1nnc2ccccn12 5485280 AMRCNKISJVBATG-JTQLQIEISA-N 356.838 4.088 0 40 FIAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 5980708 PSRDVMWPVHMVKG-CQSZACIVSA-N 374.444 4.359 0 40 FIAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1C(C)C 6324961 AIPIQXJGMRSBFB-DSJJYHEDSA-N 361.511 4.359 0 40 FIAB CCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccccc2F)C1=O 6952483 WREQCQBYKJPPEU-KRWDZBQOSA-N 359.422 4.031 0 40 FIAB C[C@H](Sc1nncs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 7195071 KHYRYFCECOGJOJ-SFYZADRCSA-N 362.307 4.203 0 40 FIAB CC(=O)c1c(C)[nH]c(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c1C 7845561 UKEJCQBJKARYQG-UHFFFAOYSA-N 367.474 4.447 0 40 FIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)O)cc2)cc1 7883990 RIOBGVZRZLIRRM-OAQYLSRUSA-N 372.424 4.460 0 40 FIAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(C)C 7886232 YELZVQICRQWQQI-HXUWFJFHSA-N 352.434 4.211 0 40 FIAB CCc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1ccc(OC)cc1 7987542 VXHKGVWDQLPPMF-FQEVSTJZSA-N 350.418 4.073 0 40 FIAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 8339212 JFZYWOKGJSUJMA-UHFFFAOYSA-N 374.897 4.479 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2C)c(C)c1 8492825 OLLILOQFUYKJPT-GOSISDBHSA-N 357.519 4.429 0 40 FIAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 8844979 GNRURCFZDDRNOS-QGZVFWFLSA-N 365.452 4.340 0 40 FIAB O=C(c1ccc2ccccc2c1)N1CCc2n[nH]c(-c3ccccc3)c2C1 8997019 XKDOCUYNTDSXMP-UHFFFAOYSA-N 353.425 4.428 0 40 FIAB Cc1cccc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 9062665 RXESPPAQLHUWKR-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccncc4)o3)c[nH]c12 9722478 ITDZAWINYABJRC-UHFFFAOYSA-N 364.430 4.150 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10314543 WFWCHPCVGDHCCO-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB Cc1oc(-c2cccs2)nc1COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 10389664 AHQGZJGQXYYVFM-PBWFPOADSA-N 359.447 4.150 0 40 FIAB CCc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 10701246 ISXMHFMMRIHENE-UHFFFAOYSA-N 357.475 4.157 0 40 FIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c2cnn(C(C)C)c2n1 10965449 FDFMPYLSDJGSFQ-ZDUSSCGKSA-N 356.857 4.465 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C)nc3c2CCC3)c(C)c1 12016729 CFWBIXMDHIDTIA-CQSZACIVSA-N 355.507 4.318 0 40 FIAB CCCn1cc(C(=O)N2CCC(c3cc4ccccc4cn3)CC2)c(C)n1 12144038 JJEQEYJXRKBMFL-UHFFFAOYSA-N 362.477 4.170 0 40 FIAB CC[C@@H]1c2ccc(C)n2CCN1C(=O)c1cc(=O)c2cc(C)c(C)cc2o1 12290100 MWQAPONIGXWOBE-QGZVFWFLSA-N 364.445 4.127 0 40 FIAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccc(F)cc1 12534349 LFRJZTHDZYOIIP-SNVBAGLBSA-N 372.450 4.202 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c(C)o1 12761295 HWZNMIYNWQGQBM-UHFFFAOYSA-N 362.429 4.121 0 40 FIAB Cc1noc(C)c1CSCC(=O)Nc1nc(-c2ccccc2)cs1 12790009 VNOGSKXNERLRTP-UHFFFAOYSA-N 359.476 4.287 0 40 FIAB Cc1cccc(Oc2ccccc2NC(=O)CCn2c(C)csc2=O)c1 12892581 YEYZSHISUPZCME-UHFFFAOYSA-N 368.458 4.348 0 40 FIAB Cc1nn2c(nc(Oc3ccc4c(c3)OCO4)c3ccccc32)c1Cl 12997220 HIUIMHRPQPZESR-UHFFFAOYSA-N 353.765 4.365 0 40 FIAB C[C@H](Nc1nc2nonc2nc1N[C@H](C)c1ccccc1)c1ccccc1 13617629 XXWLNPQINRPUAG-OKILXGFUSA-N 360.421 4.359 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 14404544 MYZIZIKXVLAFAS-UHFFFAOYSA-N 368.824 4.185 0 40 FIAB Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccncc2)o1 14845976 KULIZWSLZIOAPH-UHFFFAOYSA-N 350.403 4.387 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OC 15008790 CTZQXUVKXOBHHZ-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB COc1ccc(-c2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)cc1 15084389 PIVKVCIBSQUWEU-LLVKDONJSA-N 350.447 4.139 0 40 FIAB Cc1cc(C)cc(-n2ccnc(NCCc3ccc(Cl)cc3)c2=O)c1 15732408 KFEUBNNTPXDLOX-UHFFFAOYSA-N 353.853 4.157 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(C)(C)C)c1 16780638 VJXNYLHMJMQMCF-UHFFFAOYSA-N 363.479 4.192 0 40 FIAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 17075763 BPRCXEVJRQAGFU-UHFFFAOYSA-N 369.490 4.169 0 40 FIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1 20458114 PEQRRCVJEQIXEL-AWEZNQCLSA-N 362.267 4.322 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)CN(C)Cc3ccco3)n2)cc1C 22240952 ZGDBQCKPNWAYNU-UHFFFAOYSA-N 369.490 4.399 0 40 FIAB O=C1CCSc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2N1 22328694 DZURYSSFDNNKOZ-KRWDZBQOSA-N 352.459 4.098 0 40 FIAB CCn1c(C)cc(C(=O)COC(=O)c2csc(-c3ccsc3)n2)c1C 25187483 IOXXLZBRNJCDON-UHFFFAOYSA-N 374.487 4.350 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(SC(F)(F)F)cc1)c1ccsc1 25331221 YPELVQTXGAXXJD-AWEZNQCLSA-N 374.453 4.393 0 40 FIAB CCOc1ccc(-c2nsc(NC(=O)c3cccc(C)c3)n2)cc1OC 28286747 LWAYOZKEACKHCM-UHFFFAOYSA-N 369.446 4.173 0 40 FIAB Cc1cccc(C)c1OCC(=O)N(Cc1ccccc1F)c1ccccn1 28287762 PZJLXVLVUSGMDW-UHFFFAOYSA-N 364.420 4.450 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1OC 30754679 HENJRDMAKLLXAW-HZPDHXFCSA-N 373.518 4.322 0 40 FIAB O=C(c1ccc(Br)o1)N(Cc1cccc2[nH]ccc12)C1CC1 32074410 MGGYLIIGCVAJEC-UHFFFAOYSA-N 359.223 4.328 0 40 FIAB COc1ccc(C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)c2ccccc12 32736625 GNELJECIIYJTEN-HNNXBMFYSA-N 369.461 4.185 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)n1 40042973 UTPCIRDQEORQBW-CYBMUJFWSA-N 365.458 4.262 0 40 FIAB CCc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccccc2)cc1 41366566 XPKIMZNATOHWFW-UHFFFAOYSA-N 352.459 4.040 0 40 FIAB CC[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 44014425 OEJIFJBLPHUOQI-QGZVFWFLSA-N 365.477 4.238 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)cc1 44846774 OKRGLWFUBIEZCN-INIZCTEOSA-N 364.239 4.254 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@@H]1C[C@H]1c1ccccc1Cl 51411683 LOCYRPXJUGQORX-JKSUJKDBSA-N 351.837 4.150 0 40 FIAB CN(C(=O)c1cc2sc3ccccc3c2s1)c1ccc(C(N)=O)cc1 55985123 GZAIATFZPPJAFQ-UHFFFAOYSA-N 366.467 4.492 0 40 FIAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CC=CCC1 58080484 HILAEPVABMSUJD-INIZCTEOSA-N 366.427 4.142 0 40 FIAB CCN(Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1ccccc1C 59423140 FLLNKYMCUSXEJJ-UHFFFAOYSA-N 361.371 4.016 0 40 FIAB CC(C)(C)c1ncc(NC(=O)c2ccccc2SC[C@H]2CCCO2)cn1 64328232 ONCVCKKHTRPCSU-OAHLLOKOSA-N 371.506 4.298 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cccc(-c2nccs2)c1 64833759 ZVOPRIQTQUCULC-VOTSOKGWSA-N 358.854 4.157 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 64982259 SUBRZEBHGMZJCA-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CC(C)OCCCNC(=O)c1cc2ccccc2n1Cc1ccccc1 71184902 RALHISWDBFNALP-UHFFFAOYSA-N 350.462 4.235 0 40 FIAB Cc1cc([C@H](O)CCNC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)o1 85562128 ZHVCQQWDGWLPDF-OAHLLOKOSA-N 357.237 4.448 0 40 FIAB CC(C)(C)Oc1cc(F)ccc1NC(=O)C(=O)Nc1ccc(Cl)cc1 95451955 JIQJPSBBSYTMPS-UHFFFAOYSA-N 364.804 4.234 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H]1C[C@H]1C[C@@H]2CC[C@@H]1C2 100713633 KUQSARIONLCSRO-QBPKDAKJSA-N 366.461 4.066 0 40 FIAB CCOc1ccc2c(c1)s/c(=N/C(=O)Nc1cccc(Cl)c1)n2C 100814223 YOHLXIYCRDPWMD-LVZFUZTISA-N 361.854 4.425 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=S)N1Cc1ccccc1 101184787 XZANZUXSZCETEM-OXJNMPFZSA-N 354.475 4.015 0 40 FIAB C[C@H](NC(=O)CSc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102159442 MFOACQKXBLKPFX-WFGGJUAMSA-N 368.340 4.482 0 40 FIAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)NN(Cc1ccccc1)c1ccccc1 102230881 RJHLNVMBUUJFCV-BJLQDIEVSA-N 351.519 4.261 0 40 FIAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)Cc1cccc2cccnc12 109843584 QUEVOQZZRUBLSD-KRWDZBQOSA-N 372.515 4.136 0 40 FIAB Fc1cccc(OC2CCN(c3ncccc3Br)CC2)c1 117758461 WMXCWVDWELTIHX-UHFFFAOYSA-N 351.219 4.031 0 40 FIAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1C 214382392 VZPJJDQOZRCKGV-LICLKQGHSA-N 357.406 4.379 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)c1 219555336 YPGGQOMXGJRVHA-LJQANCHMSA-N 366.505 4.030 0 40 FIAB Cc1cc(F)ccc1S(=O)(=O)N1CCS[C@H](c2cccs2)CC1 219559441 MZGCZKUEAYMHSA-HNNXBMFYSA-N 371.524 4.065 0 40 FIAB CSc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1 223606881 QHXCSBSRUBXREP-UHFFFAOYSA-N 355.488 4.421 0 40 FIAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cccc3ccccc23)c1C 223938092 YBQNQIISTFZOBF-GOSISDBHSA-N 363.457 4.419 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC1CCCC1 224323708 YJOMCTGLLGLHDP-GOSISDBHSA-N 364.917 4.306 0 40 FIAB CCCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 224831684 RNVMUWDRYDRXKY-UHFFFAOYSA-N 366.505 4.391 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)NCCSC1CCCCC1 225810647 NMAYJQINWXYGEY-UHFFFAOYSA-N 361.429 4.266 0 40 FIAB CCc1cc(Br)cc(CC)c1NC(=O)c1cnc(C)nc1C 226095561 YXOOKLDJRCQMFF-UHFFFAOYSA-N 362.271 4.233 0 40 FIAB CC[C@H](C(=O)N1CC[C@H](Oc2cccc3cccnc23)C1)c1ccccc1 244975069 IALABEHBFKFDSI-PMACEKPBSA-N 360.457 4.408 0 40 FIAB Cc1cccnc1[C@H](NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1)C(C)C 246323031 DFYBLAUOMIAAQU-CGTJXYLNSA-N 373.522 4.320 0 40 FIAB Cc1cccc(NC(=O)c2nc(-c3ccn(C(C)C)c3)n3ccccc23)n1 306125722 CZUVNCHJULQVDI-UHFFFAOYSA-N 359.433 4.339 0 40 FIAB Cc1n[nH]cc1C1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 585082138 MZMVQVFJAIQKMW-OAQYLSRUSA-N 367.493 4.125 0 40 FIAB COc1cc(-c2noc(Cc3cnccc3C)n2)cc(Cl)c1OC(C)C 664735789 ZJLXAIUFJBJVLU-UHFFFAOYSA-N 373.840 4.480 0 40 FIAB COc1cccc2cc(C(=O)NCC(c3ccco3)c3ccco3)oc12 670473971 CKQLZEQBSZSJKG-UHFFFAOYSA-N 351.358 4.189 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2cccs2)N1c1cccc(F)c1 1615154436 GHJJWLNNBZXGEU-OALUTQOASA-N 372.509 4.478 0 40 FIAB Cc1ccc(N2C(=O)c3ccc(C(=O)OC4CCCCC4)cc3C2=O)cc1 991329 VQYNQJWDGOTOHK-UHFFFAOYSA-N 363.413 4.285 0 40 FIAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)s1 1342240 NMFFWOPVRHIWTI-UHFFFAOYSA-N 370.518 4.148 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)c1cccc(F)c1 1377865 SXKFSURZHWVYKU-ROUUACIJSA-N 358.482 4.203 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(N(C)C)c1 2621730 DWSMDLJQZSNKCO-HNNXBMFYSA-N 354.450 4.062 0 40 FIAB CCc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 2725244 JOEBTBPOXHAAJG-UHFFFAOYSA-N 352.312 4.058 0 40 FIAB CCCCNC(=S)Nc1nn(Cc2ccccc2Cl)cc1Cl 2793670 ZFKUXXDDDKVEBD-UHFFFAOYSA-N 357.310 4.325 0 40 FIAB O[C@H](CNCCc1ccc(Cl)cc1)COc1ccc2ccccc2c1 3383816 HTUFETLGSIIEPM-HXUWFJFHSA-N 355.865 4.065 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)cc1Br 3961548 WSVCXGNAHAKUDO-AMLHFVAASA-N 352.272 4.166 0 40 FIAB O[C@]1(c2ccc(F)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 4086880 HSUAXACORVUTNN-FQEVSTJZSA-N 359.852 4.129 0 40 FIAB CCOc1ccc(-c2csc(NC(=O)C(F)(F)F)c2C(=O)OC)cc1 4369469 WHFRUWYTNJBARL-UHFFFAOYSA-N 373.352 4.101 0 40 FIAB CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC[C@H](O)CO 4411080 RVNAQNUKCZKJCP-VQTJNVASSA-N 374.562 4.115 0 40 FIAB biogenic Cc1cccc(C(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1 4585483 RTJCRQVUGISBLF-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB Cc1ccc(-c2nnc3sc(COc4ccccc4Cl)nn23)cc1 4664988 SFLMXCMZLSNZDY-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB Cc1cc2nc(C(F)(F)F)n(S(=O)(=O)c3ccc(F)cc3)c2cc1C 4981485 OPTIXCUJZASAOR-UHFFFAOYSA-N 372.343 4.048 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1 5391824 KKTQPIORZQYEKS-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCc1ccccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 6258765 NGONQHOWHBHNQU-UHFFFAOYSA-N 369.424 4.200 0 40 FIAB c1ccc(-c2csc3nc(-c4cccnc4)nc(N4CCOCC4)c23)cc1 6399599 JMMKPESJAQYETA-UHFFFAOYSA-N 374.469 4.257 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1n[nH]c2nc3ccccc3n12 6504124 OBDONYZCQWFCOJ-UHFFFAOYSA-N 366.446 4.104 0 40 FIAB O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1ccc(Cl)cc1Cl 7058798 UKSAPZFBOIXFHD-SFIVQVFOSA-N 370.320 4.292 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Br 7306107 BDNZTURZAVDCSB-JTQLQIEISA-N 374.687 4.142 0 40 FIAB CCc1nnc(S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)O)[nH]1 7342502 RQUULZRNVRBOHP-RAXLEYEMSA-N 373.459 4.329 0 40 FIAB CC[C@H](O)c1nc2ccccc2n1CCCCOc1ccccc1OC 7548290 CIMHYOPTOVGTMG-SFHVURJKSA-N 354.450 4.348 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NC1CC1 7596992 JLXVSKAAYHTVDM-UHFFFAOYSA-N 363.244 4.067 0 40 FIAB Cn1c(SCc2ccccc2C(F)(F)F)nc2ccccc2c1=O 7737412 DNHDSHWZPCNQOZ-UHFFFAOYSA-N 350.365 4.245 0 40 FIAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc2nsnc2c1 8072171 WAUSMCYVIDVMAV-UHFFFAOYSA-N 373.397 4.147 0 40 FIAB CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(Br)cc1 8300093 CLZDJZYBHMNIKP-HEHGZKQESA-N 367.287 4.118 0 40 FIAB biogenic,in-vitro CC(=O)NC(=S)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl 9140729 JUHKJGJNVVSXIQ-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nc(N)c2ccsc2n1 9647690 QOYWHYDWFPGVII-UHFFFAOYSA-N 358.492 4.128 0 40 FIAB COc1ccccc1CN(C)c1nc(-c2cccnc2)nc2ccccc12 9691757 LREIQWAKRVPUAT-UHFFFAOYSA-N 356.429 4.337 0 40 FIAB Cc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 9791822 SUKPDOKHXANGQP-OAQYLSRUSA-N 368.477 4.305 0 40 FIAB O=C(O)c1ccccc1-c1ccc(/C=N/NCc2ccc(Cl)cc2)o1 10118929 UTVQTLYHUIJCJM-WSDLNYQXSA-N 354.793 4.422 0 40 FIAB Cc1ccc(CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1F 10496541 MGARBQMOXZIKHB-UHFFFAOYSA-N 374.362 4.316 0 40 FIAB O=C(COc1ccccc1C(F)(F)F)Nc1cc2c(cc1Cl)OCO2 11722766 BAULBOHQZBSCDR-UHFFFAOYSA-N 373.714 4.105 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)on2)sc(C)c1C 11917144 ZKLXKTLSWZFNQC-UHFFFAOYSA-N 370.430 4.449 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)cc1C 12145521 MVJJMACPUAKOAX-UHFFFAOYSA-N 367.380 4.390 0 40 FIAB COc1ccccc1NC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 12805324 VVEDLVWJPZEPJK-UHFFFAOYSA-N 364.449 4.162 0 40 FIAB O=C(CSc1ccccc1C(=O)N1CCCCC1)NCC1CCCCC1 12886992 ZUTLTYLGQMZNGR-UHFFFAOYSA-N 374.550 4.101 0 40 FIAB Cc1ccc(CCCNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 13668770 KYOQOFSXKLDFJH-UHFFFAOYSA-N 358.290 4.213 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccccc1 13991587 KBTNIIKSCNYXPM-NTCAYCPXSA-N 374.415 4.408 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CCc1nc2ccccc2s1 14142267 HKNWWDSTAIHGLZ-UHFFFAOYSA-N 368.458 4.006 0 40 FIAB COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OC(C)C 15636913 QDFGBMGLIFZAFQ-UHFFFAOYSA-N 366.870 4.333 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3Cl)c2C(N)=O)C1 17246190 LHGNMRGVZCTCDL-DJYGCBNOSA-N 374.893 4.277 0 40 FIAB Cc1nc2ccccc2c(C)c1CC(=O)NCCc1c[nH]c2ccccc12 17295062 VDXGBDBOCLUVLN-UHFFFAOYSA-N 357.457 4.234 0 40 FIAB O=C(C1[C@H]2CCCC[C@@H]12)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19294280 SNMDIRNDGXSROL-PUNYKABCSA-N 370.512 4.089 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 19691159 FFBBIIDQEVQUFB-OAQYLSRUSA-N 368.452 4.081 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 20105935 GIYFOQGWWPUVNE-APWZRJJASA-N 371.477 4.355 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)N[C@@H](c3cccs3)C(C)C)CC2=O)c1C 21494401 WFGNTDWCZZNSOQ-OXQOHEQNSA-N 370.518 4.231 0 40 FIAB Cc1cc(OCC(=O)Nc2noc(-c3ccccc3C)n2)ccc1Cl 21806670 CXAHBVDPKPYPAY-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB Cc1noc(C)c1COC(=O)COc1ccc2oc3c(c2c1)CCCC3 23475690 GTGADHDSFTVYNV-UHFFFAOYSA-N 355.390 4.039 0 40 FIAB C[C@@]1(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1(Cl)Cl 26984659 FYDPFBRTTSAXGN-ZDUSSCGKSA-N 350.629 4.024 0 40 FIAB O=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc2ccccc2c1 28248306 MNVRJMYVQDZRTA-UHFFFAOYSA-N 358.419 4.389 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCCCCN2CCC[C@H](C)C2)c1 46991132 UCFYMDOEGRIWPB-AWEZNQCLSA-N 354.947 4.304 0 40 FIAB O=C(Nc1ccc2ccccc2n1)c1cc(Cl)c2c(c1)OCCCO2 48310222 WOEGCVWUVVAFEE-UHFFFAOYSA-N 354.793 4.302 0 40 FIAB Cc1ccc([C@H](NC(=O)COc2ccc(F)cc2F)C(F)(F)F)cc1 48324141 XCIFGCLUHFVGLJ-INIZCTEOSA-N 359.294 4.072 0 40 FIAB COc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)c(C)c1 51315252 VMPQKXLRLWDSFV-UHFFFAOYSA-N 358.781 4.064 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(OC(F)(F)F)c2)cc1 51354298 KJSSCZGBTWZXJO-UHFFFAOYSA-N 368.311 4.406 0 40 FIAB CCSc1nnc(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)s1 58201033 UGTCHRDMMRNELL-SECBINFHSA-N 370.521 4.031 0 40 FIAB CCn1c(SCc2ccccc2)nnc1-c1sc2ncccc2c1N 64370090 KKSKZOHFFFNQMF-UHFFFAOYSA-N 367.503 4.449 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccnc2N2CCSCC2)o1 70007414 OBROBMPCVIWCND-HMQGTJFBSA-N 369.490 4.003 0 40 FIAB CC[C@@H](C)c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889940 INBDFVHFEBWNRP-GFCCVEGCSA-N 365.271 4.442 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1ccc2cc(C)ccc21)CC3 79192806 JURJZZRGGSEZHJ-UHFFFAOYSA-N 373.456 4.025 0 40 FIAB biogenic COc1cccc(C(=O)Nc2cc([C@@H]3C[C@@H]3C)nn2-c2ccccc2)c1F 89236208 HTTQBJNVUZBGRG-XJKSGUPXSA-N 365.408 4.396 0 40 FIAB O=C(/C=C/c1cnccn1)Nc1nc(-c2ccc(F)c(Cl)c2)cs1 89773169 JERSGPPWWCCZDE-DUXPYHPUSA-N 360.801 4.045 0 40 FIAB Cc1ccc(N2CCC3(CCN(Cc4ccc(C)s4)CC3)CC2)nn1 96047351 MHXGPXUCNNZPOF-UHFFFAOYSA-N 356.539 4.038 0 40 FIAB c1cncc(CN2CCC3(CC2)C[C@@H](NCc2ccco2)c2ccccc23)c1 96241458 UKEWFGIFROVAKO-HSZRJFAPSA-N 373.500 4.443 0 40 FIAB CCCC(=O)N[C@@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 96242827 JHRUVSXLCGSVSI-LJQANCHMSA-N 368.477 4.054 0 40 FIAB Cc1ccccc1CNCc1ccccc1NS(=O)(=O)c1ccccc1 97101469 QQCBUDGZNYMZSU-UHFFFAOYSA-N 366.486 4.086 0 40 FIAB Cc1nn2c(=O)c(Cl)c(-c3ccccc3)[nH]c2c1-c1ccc(F)cc1 101311684 GSIXOSCRNFIUTF-UHFFFAOYSA-N 353.784 4.458 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 219074421 VDHVSOCPZWDYPG-AEFFLSMTSA-N 371.477 4.355 0 40 FIAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)cc1C 219216100 SZIBMOOIRVFDPW-FQEVSTJZSA-N 350.462 4.311 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222709885 FBPVGBXZEBHOKB-CVEARBPZSA-N 369.461 4.226 0 40 FIAB CCOc1ccc(CCCNC(=O)CSCc2cccc(C)c2)cc1 222744548 PTGJDCDJZQSBFY-UHFFFAOYSA-N 357.519 4.376 0 40 FIAB CC[C@H](NC(=O)c1cc(OC)cc(OC)c1)c1ccc2c(c1)CCCC2 223023155 LVEUPFYOVFBUFX-NRFANRHFSA-N 353.462 4.464 0 40 FIAB CCc1ccc(CC)c(CNC(=O)[C@H](CC)Oc2cccc(OC)c2)c1 223138497 VJHOZKLHNIDSOL-NRFANRHFSA-N 355.478 4.294 0 40 FIAB O=C(COc1cccc2c1CCCC2)NCCCc1ccc(Cl)cc1 223211952 HAEURZRHKQMHJS-UHFFFAOYSA-N 357.881 4.347 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(C)c1 223769070 PZAZDWBZLCJTNM-DNVCBOLYSA-N 357.450 4.047 0 40 FIAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(Cl)cc1 224454237 WTYGJRVVEJTVDD-IAGOWNOFSA-N 354.866 4.240 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1cc(C)cc(C)c1 224538683 FIRTUTDKBABHKZ-QGZVFWFLSA-N 371.477 4.046 0 40 FIAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1cccnc1 225370011 BQBLGHHQTXMMLA-UHFFFAOYSA-N 355.891 4.094 0 40 FIAB O=C(CSCc1ccccc1)NCc1ccc(Oc2nccs2)cc1 225647058 CWQPAIZUJONANL-UHFFFAOYSA-N 370.499 4.485 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccccc1Cl 225785305 AIKSRHDUBICTQA-GFCCVEGCSA-N 350.871 4.103 0 40 FIAB COC(=O)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 226343917 TXMNEBBRWJSKAJ-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB CC(C)Oc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781361 SSLODWHSBGZBEB-MDASCCDHSA-N 353.491 4.458 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3Cl)CC2=O)cc1Cl 408669833 SDGCDTOOVAMWPR-LBPRGKRZSA-N 364.228 4.260 0 40 FIAB CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408707959 MVPMEHCUKPMIIX-QGZVFWFLSA-N 370.880 4.133 0 40 FIAB O=Cc1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 408852546 HKVPAEIIGANYIM-UHFFFAOYSA-N 369.598 4.223 0 40 FIAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409246116 FFEVKRXKOOJQFH-RBYWHNRPSA-N 364.445 4.265 0 40 FIAB Cc1cccc(N2C[C@H](c3nc(-c4ccc5c(c4)CCC5)no3)CC2=O)c1C 558521380 NGQKJCLPDWKUST-LJQANCHMSA-N 373.456 4.363 0 40 FIAB O=C(c1cc2cc(F)ccc2o1)N1CCC[C@](CO)(Cc2ccccc2)C1 643307092 FTSWDKGHJLREEP-QFIPXVFZSA-N 367.420 4.029 0 40 FIAB COCC1(C2CCC2)CN(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)C1 664134383 ZAJVVKXXEDMVDX-GOSISDBHSA-N 364.917 4.495 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC(C)C)c(OC)c1 1322538 VERCWWZLHSTYDY-NRFANRHFSA-N 366.461 4.207 0 40 FIAB biogenic CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1 1336652 YIQQMPPPWVRPLW-UHFFFAOYSA-N 370.424 4.351 0 40 FIAB CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1Cl 2057294 CFGUTMHMENXDAK-MRXNPFEDSA-N 350.846 4.044 0 40 FIAB COc1cc(CNCC2(c3ccccc3)CCCC2)cc(OC)c1OC 2116275 XZNPCPYOZXXTPH-UHFFFAOYSA-N 355.478 4.314 0 40 FIAB biogenic O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccc2c(c1)OCO2 3120637 FLSNVJAZFWHMHU-PKTZIBPZSA-N 374.392 4.317 0 40 FIAB CCCOc1ccc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C)oc2c1 3171814 BRNKUTOBMPTFRI-UHFFFAOYSA-N 356.374 4.245 0 40 FIAB Cc1ccc2c(=O)cc(-c3cc(Br)cc4c3OCOC4)oc2c1 3189437 GDHILNCQCXVSJT-UHFFFAOYSA-N 373.202 4.397 0 40 FIAB O=C(NC(=S)Nc1ccccc1Cc1ccccc1)c1cccs1 3225713 NRQCYLYRTISRNJ-UHFFFAOYSA-N 352.484 4.466 0 40 FIAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1ccccc1C(F)(F)F 3463631 FZDLUEJHFRWJHZ-UHFFFAOYSA-N 354.372 4.240 0 40 FIAB Cc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1Cl 4357953 XPKDVTVNUDMWRH-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O 5015608 OUTQFXQXAOGJMV-UHFFFAOYSA-N 370.449 4.212 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 5136330 OIXRKVRPKBZPNU-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB CC(=O)[C@H]1SC2=NC3=C(CCCC3)[C@H](c3ccc(Cl)cc3)N2C1=O 5379075 PGCXVMRPCRCHNS-JKSUJKDBSA-N 360.866 4.112 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1cccc(F)c1)CO2 5516526 YDXIVRFMCJGXCX-UHFFFAOYSA-N 351.377 4.086 0 40 FIAB CCCSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 5878357 JUJSNMUFSMANQI-GFCCVEGCSA-N 364.536 4.018 0 40 FIAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(CC)oc2cc1O 5904270 RJNHFPYEGPPHDO-UHFFFAOYSA-N 352.386 4.409 0 40 FIAB biogenic CCN(C(=O)[C@@H](C)n1cc(C(=O)OC)c2ccccc21)c1ccccc1 6630126 CGBGLIRXBOFRNJ-OAHLLOKOSA-N 350.418 4.042 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)CC(C)C)cc1OCCC 6811509 APLGVMSHQACWSF-UHFFFAOYSA-N 361.442 4.299 0 40 FIAB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc2ccccc2c1 6961944 CLAUCMUMWIXCLM-UDWIEESQSA-N 355.441 4.433 0 40 FIAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc2ccccc2s1 7412817 HHVWYZRBBFTMJG-UHFFFAOYSA-N 352.367 4.070 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)cc1 7504541 AJQIZGPDWIFJFB-UHFFFAOYSA-N 372.468 4.043 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)c1C 7504817 UBBWMEPEVDYQEC-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB COc1ccccc1CNC(=O)CCc1ccc(-c2ccccc2F)o1 8114440 JBAXESXPFYNJIP-UHFFFAOYSA-N 353.393 4.343 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)s1 8131951 HCJWGULAMXRSDN-UHFFFAOYSA-N 374.217 4.457 0 40 FIAB CCc1cc2c(S[C@H](C)C(=O)N3CCc4ccccc43)ncnc2s1 8641186 NSUFSYVMXRZPHA-GFCCVEGCSA-N 369.515 4.324 0 40 FIAB COc1ccc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC 8727545 JLBCLEMTQHSCJB-UHFFFAOYSA-N 373.412 4.295 0 40 FIAB c1ccc2c(-c3nnc(Nc4ccc(N5CCOCC5)cc4)[nH]3)cccc2c1 8904559 CCCJJOPXQTVRKM-UHFFFAOYSA-N 371.444 4.205 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 9314595 PRIMGDVGLYHIRK-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB COc1ccc(C)cc1CN(C)C(=O)c1csc(-c2cccs2)n1 9918830 NJZZDZFEKRPJBR-UHFFFAOYSA-N 358.488 4.461 0 40 FIAB O=C(COc1ccccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 11072323 XAHCASHYZDWRED-UHFFFAOYSA-N 350.393 4.002 0 40 FIAB COc1ccc2oc(C(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2c1 11689977 HKICNGNACZSUOJ-UHFFFAOYSA-N 363.291 4.073 0 40 FIAB Cc1csc(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)n1 11902169 DUWYITSWOGGGPE-UHFFFAOYSA-N 358.423 4.219 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 11975956 KBBJMNVSMSHJFW-UHFFFAOYSA-N 362.473 4.429 0 40 FIAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)c2ccccc2F)CC1 12087987 SNKYXNKXDSNFOX-UHFFFAOYSA-N 367.399 4.115 0 40 FIAB Fc1cc(F)cc(Cc2nnc3sc(-c4ccc(Cl)cc4)nn23)c1 12389516 YFQJAIYJVXGSNZ-UHFFFAOYSA-N 362.792 4.375 0 40 FIAB CC[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccccc1 12567814 IMHJJKOEUFCRJE-OAHLLOKOSA-N 356.426 4.120 0 40 FIAB FC(F)(F)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nc1 12797984 UHEFTMVTBPURNC-UHFFFAOYSA-N 364.396 4.037 0 40 FIAB CCCC(=O)N1N=C(c2ccccc2C)C[C@H]1c1ccc2nccnc2c1 13014100 MELFUAPVPRCYBX-NRFANRHFSA-N 358.445 4.416 0 40 FIAB CCOc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccc(Cl)cc1 13040478 YPBHBIDZRJNYBM-UHFFFAOYSA-N 374.868 4.012 0 40 FIAB CCCn1nc(C)c(CN(Cc2ccccn2)Cc2ccc(C)o2)c1C 13991046 NBVVOOBNDGPHHP-UHFFFAOYSA-N 352.482 4.409 0 40 FIAB C/C=C/C(=O)Nc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 14405195 JTIBDMLPKXWMIN-ONNFQVAWSA-N 374.444 4.256 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 14909648 QQCJPCGUNCDOCD-AWEZNQCLSA-N 356.853 4.455 0 40 FIAB O=C(NCc1cccc(Cl)c1)N1CCC(OCc2ccccc2)CC1 17068306 OELJNZVNSQEOBH-UHFFFAOYSA-N 358.869 4.231 0 40 FIAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1)CO3 19890870 JMPFUQBRJKNDIO-UHFFFAOYSA-N 363.457 4.449 0 40 FIAB biogenic CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 20372293 SISYVAVUTPIHBH-GOSISDBHSA-N 350.462 4.329 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC 20456128 RRUIOAOWLISBCL-QWHCGFSZSA-N 363.454 4.201 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 20722794 HLFISSGDOSZDSK-SIKLNZKXSA-N 364.489 4.360 0 40 FIAB COCc1ccc(CNC(=O)c2sc(Cc3ccccc3)nc2C)cc1 25275614 SVTVFWZHVMLQPN-UHFFFAOYSA-N 366.486 4.119 0 40 FIAB Cc1cc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)no1 25323326 LHSQACNUHWXPRR-UHFFFAOYSA-N 368.780 4.334 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1ccn(Cc2cccc(F)c2)n1 27916681 XAEYYCFHPMOGJM-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB O=C(CCc1ccccc1Cl)N1CCC[C@H]1c1ccc2c(c1)OCCO2 28307396 LPKAQLMIUXSGGS-SFHVURJKSA-N 371.864 4.408 0 40 FIAB O=C(Nc1cccc(OC2CCCC2)c1)c1cccc(N2CCCC2=O)c1 31206454 YUIOSRSOLGYRGX-UHFFFAOYSA-N 364.445 4.387 0 40 FIAB O=C(Cc1cnc(-n2cccc2)s1)NCc1ccc(Cl)cc1Cl 32073192 JMGSUFYHSUTNRM-UHFFFAOYSA-N 366.273 4.100 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](c2cccs2)C2CCCC2)c1C 32397296 PWKYNPBTWTYKRY-QGZVFWFLSA-N 360.479 4.141 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C)cc2)cc1OC 32895142 ASYXNPXZFLBKRC-LPHOPBHVSA-N 369.461 4.143 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314157 PTMWLTHWYQOOCG-HOCLYGCPSA-N 357.523 4.208 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(C(F)(F)F)cc1 40097865 RLTCAEGGWRHTFK-UHFFFAOYSA-N 374.366 4.272 0 40 FIAB CC[C@H](C)c1ccccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 42783175 WFEGKQDJVJBDSU-DZKIICNBSA-N 363.454 4.042 0 40 FIAB CN(Cc1cccs1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 44243098 DFXTZSPDCROHBU-UHFFFAOYSA-N 363.870 4.192 0 40 FIAB O=C(CN1CCC[C@H]1c1ccsc1)Nc1ccccc1Br 48356418 JEZSEYJJKLDPHM-HNNXBMFYSA-N 365.296 4.286 0 40 FIAB CCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 57301803 XVELDBZHBLEZHS-URVUXULASA-N 353.462 4.465 0 40 FIAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(Cl)c1N(C)C 58305005 BVHYZUKLXFXGOW-CJNGLKHVSA-N 353.894 4.123 0 40 FIAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)NC(C)(C)C)n2)cc1 64579643 JQIYAOMXHWKTEJ-UHFFFAOYSA-N 365.433 4.006 0 40 FIAB Cc1cc(C(=O)COc2ccc3ncccc3c2)c(C)n1-c1nccs1 65205915 RMUFNDDAXBEFPK-UHFFFAOYSA-N 363.442 4.361 0 40 FIAB O=C(Cn1ccc2c(Cl)cccc21)N1CCc2[nH]c3ccccc3c2C1 72324575 FYXHFBXMLSPJBV-UHFFFAOYSA-N 363.848 4.361 0 40 FIAB biogenic CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NC(C)C)sc2ccccc12 72370672 PPPDETLTIFOGET-MRXNPFEDSA-N 372.534 4.373 0 40 FIAB CC(=O)N1CCCCC[C@H]1C1CCN(Cc2c(F)cccc2Cl)CC1 75134598 YJOXMRKKOUXAGW-FQEVSTJZSA-N 366.908 4.482 0 40 FIAB C[C@@](O)(CNC(=O)c1c(F)cccc1F)c1ccc(-c2ccccc2)cc1 75155390 JNHGJNQTOPXXDF-JOCHJYFZSA-N 367.395 4.269 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@@H]32)C1 83261252 NNMJHVBZUSISMC-CQDYRIEUSA-N 374.521 4.345 0 40 FIAB biogenic Cc1nc(Cl)ccc1CC(=O)Nc1nc2ccc(Cl)cc2s1 89536913 FIGJKWGBNUAPGL-UHFFFAOYSA-N 352.246 4.488 0 40 FIAB C[C@H](c1cccc(F)c1)N1CCN(Cc2ncc(-c3cccs3)o2)CC1 95435053 PDUPVMPOYISKSM-OAHLLOKOSA-N 371.481 4.421 0 40 FIAB Cc1cc(OC(F)F)c(C(=O)Nc2ccc(C(F)(F)F)nc2)s1 95445730 JYPWCIXGJBBSGM-UHFFFAOYSA-N 352.284 4.324 0 40 FIAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 114564779 ODQBLLLYCDMKCT-OAHLLOKOSA-N 366.387 4.425 0 40 FIAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1cccc(C(F)(F)F)c1 199524861 IOJFAMZQIPLFTC-GFCCVEGCSA-N 354.261 4.186 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccsc1-c1nc(C2CC2)no1 206666890 DJZJKQMXVJOZGR-LLVKDONJSA-N 355.419 4.082 0 40 FIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@H](c2cccs2)CC1 219515706 AFIPIZUEEREXCT-ZDUSSCGKSA-N 372.437 4.482 0 40 FIAB CCOc1ccccc1CNC(=O)CSCc1ccc(Cl)cc1F 223291259 DXXSWPOUIULZAN-UHFFFAOYSA-N 367.873 4.427 0 40 FIAB CSc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(Cl)cc1 223432576 WVAVCPHICPEFHC-UHFFFAOYSA-N 362.303 4.194 0 40 FIAB CCc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC 223678940 LJAPFTKHXAIUGL-UHFFFAOYSA-N 359.369 4.077 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COC(C)C 224718498 ACQIAZKIFACTCY-UHFFFAOYSA-N 371.433 4.049 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=S)Nc1cccc(N2CCCC2=O)c1 225516067 SLXCCRPEDOSIIL-INIZCTEOSA-N 367.518 4.121 0 40 FIAB COc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1Cl 225728095 CHLQNXMHHFDUBI-OKILXGFUSA-N 369.962 4.003 0 40 FIAB CCC[C@](C)(OC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225796684 KZWSCPTZYAMSGC-VLIAUNLRSA-N 365.470 4.184 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225827911 BBXOIIRSFNBBEX-APWZRJJASA-N 371.477 4.355 0 40 FIAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)C1(c2ccccc2)CC1 225988623 QANAEOCNDSNDGO-ZDUSSCGKSA-N 356.263 4.459 0 40 FIAB COc1ccc(CC(=O)N[C@H](c2ccsc2)c2cccs2)cc1OC 390826203 FJWCQBOMJOTOPO-LJQANCHMSA-N 373.499 4.275 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408607319 KUQVQQWXJFKEDN-HXUWFJFHSA-N 354.881 4.003 0 40 FIAB CCN(C(=O)CN[C@H](COC)c1ccccc1)c1cccc2ccccc12 537110674 ODOIJMUDBSTACW-OAQYLSRUSA-N 362.473 4.170 0 40 FIAB CCn1c(CN2C[C@@H](c3ccccc3)C[C@@H]2C)nc2cc(C(=O)O)ccc21 568404188 HNQVMMAJGOZWJY-YJBOKZPZSA-N 363.461 4.132 0 40 FIAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc[nH]c1C1CCC1 585084050 CDZUGOZUHGVUKU-UHFFFAOYSA-N 366.509 4.056 0 40 FIAB C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1csc(N(C)c2ccccc2)n1 626727003 OLVXLYGRMYZLOH-DGCLKSJQSA-N 369.412 4.324 0 40 FIAB Cc1ccc(-c2nn(C)cc2CN2CCC(c3ccc(O)cc3)CC2)o1 648000616 VKUSWNIHKQXZOA-UHFFFAOYSA-N 351.450 4.074 0 40 FIAB COc1ccc(OCC(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 848378 IRTIUCJARJNASE-UHFFFAOYSA-N 368.458 4.068 0 40 FIAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)o1 934773 PVQUUIHYNIBRRC-KRWDZBQOSA-N 371.868 4.207 0 40 FIAB O=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1N1CCOCC1 1426255 ZGSHCPTTXFBOHD-UHFFFAOYSA-N 366.248 4.474 0 40 FIAB O=C1C[C@@H](c2ccccc2Cl)Cc2c1cnn2-c1nc2ccccc2[nH]1 1459837 YSBYATNABVTAKP-LBPRGKRZSA-N 362.820 4.315 0 40 FIAB CCCC1(CCCNC(=O)c2ccccc2)OCc2ccccc2CO1 1627638 XVFQPNIHAWWEOV-UHFFFAOYSA-N 353.462 4.440 0 40 FIAB CC[C@@]1(Br)C(=O)C(C)(C)C(=O)O[C@H]1c1ccc(Cl)cc1 2294246 NNPNNSVEUUORNH-NHYWBVRUSA-N 359.647 4.077 0 40 FIAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccc(F)cc2F)c1Cl 3231742 KKMKXOCJGDSPHH-UHFFFAOYSA-N 374.170 4.376 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccco2)nc2ccccc12 3244530 UZJCVNSOTRQACC-UHFFFAOYSA-N 358.353 4.476 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1ccccc1Cc1ccccc1)c1ccccc1 3435503 XCFUTFQAPMSHND-HSZRJFAPSA-N 372.468 4.483 0 40 FIAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 3893225 ZCRVNLNWFQWNLG-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB COc1ccc(-c2nnc(Nc3nc4ccc(OC)cc4s3)o2)cc1 4137755 GQIOGLSHEGFMHD-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB CCc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)O)cc1 4264220 ZLKLJIPSAHOWBA-FQEVSTJZSA-N 364.445 4.182 0 40 FIAB O=C(Nc1nnc(-c2ccccc2F)s1)C12CC3CC(CC(C3)C1)C2 4655859 DZBLRGLEDOIBKC-UHFFFAOYSA-N 357.454 4.499 0 40 FIAB CC(C)(C)C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 4732421 MVCNIVQEKPYPAT-UHFFFAOYSA-N 369.856 4.292 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1ccncc1 6831773 VZJHWKMEIBCVOD-UHFFFAOYSA-N 358.850 4.131 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1O 6959982 MTDQSBLCVKWYCB-WOJGMQOQSA-N 369.442 4.336 0 40 FIAB O=C(CSCCOc1ccc(Br)cc1)NC1CCCCC1 7094533 CIFKIXVNPSSPBO-UHFFFAOYSA-N 372.328 4.010 0 40 FIAB COc1cccc(OCCn2c(CN3CCCCC3)nc3ccccc32)c1 7425479 KULQFZPGFHHKGO-UHFFFAOYSA-N 365.477 4.110 0 40 FIAB COc1ccccc1-c1nnc(SCC(=O)c2cc(C)sc2C)n1C 7834307 DQMSWAJHGCXDTL-UHFFFAOYSA-N 373.503 4.144 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1ccc(Cl)cc1 8062736 HJPZMKVRRPDSSF-UHFFFAOYSA-N 353.853 4.001 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1c1ccccc1 8129895 QLCPMGRMWGTBLY-OAQYLSRUSA-N 358.397 4.229 0 40 FIAB Cc1ccc([C@@H](NC(=O)c2ccc(-n3cncn3)cc2)c2ccccc2)cc1 8133529 AXUPILRPNJFIBM-QFIPXVFZSA-N 368.440 4.095 0 40 FIAB COc1cccc(-c2nc(-c3ccc(CCNC(C)=O)cc3)cs2)c1 8209639 BFQKSUFDOCNQBA-UHFFFAOYSA-N 352.459 4.164 0 40 FIAB Cc1nnc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)o1 8753975 RBDCMVHCJUXNJU-SWLSCSKDSA-N 370.482 4.075 0 40 FIAB CC(=O)c1cccc(NCC(=O)Nc2ccccc2SC(F)F)c1 9645709 RCQZRUWKUZHBQN-UHFFFAOYSA-N 350.390 4.255 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2cccc(F)c2)CCCC1 9909895 UOJFSHCWSQWNJR-UHFFFAOYSA-N 368.452 4.113 0 40 FIAB CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 10285106 IOCVLPBLAUYBPJ-YWZLYKJASA-N 354.450 4.215 0 40 FIAB CCc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 10358781 LODAFKGAKIWHTQ-UHFFFAOYSA-N 356.897 4.184 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(CSc3ccccc3)o2)c(C)c1 10690159 WKBIBHWRBPYOJB-UHFFFAOYSA-N 353.447 4.160 0 40 FIAB C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccncc1 11594052 MCFLXVIPZJOERC-HNNXBMFYSA-N 370.412 4.290 0 40 FIAB CC[C@@H]1c2ccsc2CCN1Cc1ccc(OCCOC)c(OC)c1 12241234 PZTFYUFOKPUDDS-QGZVFWFLSA-N 361.507 4.291 0 40 FIAB C[C@H]1C[C@@H](Sc2nc(Nc3ccccc3)c3ccccc3n2)C(=O)O1 12524961 GLRWBKLADARQIB-BLLLJJGKSA-N 351.431 4.170 0 40 FIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)[C@H]1COc2ccccc2O1 12535760 KXMWZVVRQMHPMY-HXUWFJFHSA-N 371.396 4.008 0 40 FIAB Cc1ccc([C@@]2(O)c3ccccc3NC(=S)N2Cc2ccccc2)cc1 12558093 QKMJSXYVMRTQNY-JOCHJYFZSA-N 360.482 4.401 0 40 FIAB COc1cc2nc(NC(=O)c3cc4cc(F)ccc4[nH]3)sc2cc1OC 12755732 YVMNREQFQKEHOF-UHFFFAOYSA-N 371.393 4.186 0 40 FIAB C[C@@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)NC1CCCCC1 12806668 XTXVJWKBBIWTDW-CNELAYHGSA-N 374.485 4.044 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 12976313 LJLLZWZLAKJPDM-IXDOHACOSA-N 361.363 4.449 0 40 FIAB CC(=O)Nc1nc(-c2cccc(NC(=O)/C=C/c3ccccc3)c2)cs1 13855784 AFCZIQOXKGCRIC-ZHACJKMWSA-N 363.442 4.420 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN(Cc2ccc(Cl)cc2)CC1 15698718 UHCOQJRTPFLMLQ-UHFFFAOYSA-N 354.837 4.044 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccc(-n3cccc3)cc2)cc1Cl 15711472 VNVABSFZJATQSU-UHFFFAOYSA-N 356.809 4.400 0 40 FIAB Cc1c(C(=O)COC(=O)c2n[nH]c3ccccc23)sc2ccccc12 16218844 YMYCQOIVNWGMML-UHFFFAOYSA-N 350.399 4.126 0 40 FIAB COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 16311744 GGUZTLPJSSWGGH-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2)n1 19661394 FAESPCTWDDEIRF-OAHLLOKOSA-N 353.397 4.034 0 40 FIAB COc1ccc(Cn2c(-c3ccccc3F)nc3ccccc3c2=O)cc1 20799344 AZQXQQJKNNWAEJ-UHFFFAOYSA-N 360.388 4.260 0 40 FIAB Cc1[nH]c2c(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cccc2c1C 24556042 CISIHSWHAQLLCK-NRFANRHFSA-N 361.489 4.352 0 40 FIAB Cc1cccc(C2(C(=O)N(C)CC(=O)Nc3ccccc3Cl)CCC2)c1 24647513 HDSHDWFOKDOHOL-UHFFFAOYSA-N 370.880 4.167 0 40 FIAB O=C(c1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1)N1CCCC1 25652702 SUFLRIPHPCYZMR-OAQYLSRUSA-N 352.453 4.399 0 40 FIAB Cc1ccc2nc(NC(=O)[C@H]3CCCN3Cc3ccccc3)sc2c1 28233445 JCSGNJOLCJJHHW-QGZVFWFLSA-N 351.475 4.208 0 40 FIAB CCC[C@@H](NC(=O)[C@H](C)Nc1ccc(OC)cc1OC)c1ccccc1 28795633 MXGSXRLZKWSQRK-MAUKXSAKSA-N 356.466 4.162 0 40 FIAB COc1ccc([C@@H]2C[C@](C)(N3CCCC3)Oc3cc4c(cc32)OCO4)cc1 31430144 LCJBLLVQLVLEMH-PGRDOPGGSA-N 367.445 4.150 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 32609934 ZUTMITBWKKALNH-UHFFFAOYSA-N 352.369 4.166 0 40 FIAB CC(C)Sc1ncccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32933522 FKQHNGXUTAVVAD-UHFFFAOYSA-N 352.362 4.156 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c1OC(F)F 36696940 LZWLNHJJYCYJLW-YGTVFWJQSA-N 353.409 4.251 0 40 FIAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38834223 SGAUYZKONJXAOH-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB CCOC(=O)C1(C(=O)OCC)Cc2ccccc2[C@](C)(c2ccccc2)C1 38932498 CPXRMUJPSIXIIL-QFIPXVFZSA-N 366.457 4.051 0 40 FIAB CN(CCOc1ccccc1F)C(=O)Nc1ccccc1OC(F)(F)F 40104279 SSHLBSBGXQLAOM-UHFFFAOYSA-N 372.318 4.267 0 40 FIAB CCN1C/C(=C/c2cccc(O)c2)c2nc3ccccc3c(C(=O)O)c2C1 40161458 GWYZUYUEOZZMJM-GDNBJRDFSA-N 360.413 4.015 0 40 FIAB COCc1c(C(=O)Nc2nc(-c3ccccc3)ns2)oc2ccccc12 48375144 MWQSEMTXVHBCDQ-UHFFFAOYSA-N 365.414 4.350 0 40 FIAB Cc1sc(NC(=O)C2CC2)c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1C 52835853 GHFCOOJBRSPZSZ-LBPRGKRZSA-N 374.428 4.128 0 40 FIAB COc1ccccc1[C@@H](C)NCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 58163998 CZAMWNDPIXAQRG-JVRWENHQSA-N 370.537 4.067 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)CCC(=O)c3cccs3)CC2)cc1 58193019 KGOXLWKSWWAWLJ-UHFFFAOYSA-N 369.486 4.141 0 40 FIAB CCN(Cc1ccccc1Cl)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809945 FKELRVBCXFTUCK-UHFFFAOYSA-N 373.865 4.314 0 40 FIAB Cc1ccc2c(CC(=O)NC(C)(C)c3noc(C(C)(C)C)n3)coc2c1C 65498550 GPMYCDMVTWPBDP-UHFFFAOYSA-N 369.465 4.324 0 40 FIAB COc1ccccc1CN(Cc1ncc(C(C)(C)C)o1)C[C@H]1CCCO1 69699273 POSYANRQFVKUNF-QGZVFWFLSA-N 358.482 4.162 0 40 FIAB Cc1cc(NCCCCCCNc2cc(C)[nH]c(=S)n2)nc(=S)[nH]1 71775403 YMMGUYLMKZXGDR-UHFFFAOYSA-N 364.544 4.293 0 40 FIAB CC(=O)Nc1ccc(SC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 71795737 BEOSNDHEJPNLET-HNNXBMFYSA-N 364.511 4.384 0 40 FIAB CCc1nc(C)c([C@@H](C)OC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)s1 72294339 NVMQPCVMMCKELE-PBHICJAKSA-N 374.506 4.194 0 40 FIAB CCC[C@H]1SCCN1C(=O)c1c(Br)c2ccccc2n1C 76017302 SMTRMUGCXUILDB-CYBMUJFWSA-N 367.312 4.256 0 40 FIAB Cc1cc(C)c(-c2nc(NC(=O)C(C)(C)C)sc2CC(=O)O)c(C)c1 85397384 DZPCGYHSIQBNLA-UHFFFAOYSA-N 360.479 4.347 0 40 FIAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1cc(Cl)cc(Cl)c1 95634171 SWTACSLSGLONAU-UHFFFAOYSA-N 369.044 4.167 0 40 FIAB COc1cc(CNc2cc(CN(C)C)ccn2)ccc1OCCC(C)C 95992273 ABTLEHKANZASGK-UHFFFAOYSA-N 357.498 4.189 0 40 FIAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 100408971 ZKMLHDUYJWPQJS-NRFANRHFSA-N 352.478 4.083 0 40 FIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(C(C)=O)cc4[C@H]3CC[C@]12C 114929055 LSIKVDOGSASSRA-VLGZMJLESA-N 356.462 4.383 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SC(C)C)s1 222792545 VZAVLZUFXZKQFI-CYBMUJFWSA-N 365.524 4.452 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NCC(C)C 224876680 UUIZCXZJXIPKLZ-INIZCTEOSA-N 373.324 4.283 0 40 FIAB COc1ccccc1CCCNC(=S)Nc1ccc(F)c(Cl)c1 225550283 KUKGBKWOXJZQFP-UHFFFAOYSA-N 352.862 4.407 0 40 FIAB O=C(NCc1ccc(-c2cccnc2)nc1)Nc1ccc(C(F)(F)F)cc1 225766100 RNWORRGXCDAHSV-UHFFFAOYSA-N 372.350 4.484 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(C(=O)O)c2)c1 257259350 KXXTULSJJXEFIR-GOSISDBHSA-N 352.434 4.156 0 40 FIAB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C/[N+](=O)[O-] 408529291 CPLXWANTRBIBLR-GOKBKIRCSA-N 374.190 4.315 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC(N2CCc3ccccc3C2)CC1 408606596 IWHLZUBCFDSPLM-UHFFFAOYSA-N 354.881 4.003 0 40 FIAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)NCCc1ccc(O)cc1 524734921 JIYUFIFOYOOVNU-HXUWFJFHSA-N 368.864 4.186 0 40 FIAB Cc1cccc(NC(=O)CN2CCC(c3noc4cc(F)ccc34)CC2)c1 562046317 LOVOMLNHOMJSNC-UHFFFAOYSA-N 367.424 4.093 0 40 FIAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1 1081634 AIPTYIRKYHWKNZ-UHFFFAOYSA-N 350.374 4.183 0 40 FIAB CSc1cccc(NC(=O)COc2ccc(Br)cc2)c1 3608594 WZBCEKIDHNCYDS-UHFFFAOYSA-N 352.253 4.189 0 40 FIAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)c1 4019098 SBJCNDYDDCGNTH-OQUILHJVSA-N 370.474 4.112 0 40 FIAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 4166187 AEYZZIZNISPVTA-QFIPXVFZSA-N 351.446 4.027 0 40 FIAB COc1ccc(CCNCC(=O)N2c3ccccc3[C@@H](C)CC2(C)C)cc1 4894679 QUKFWESELZACCU-KRWDZBQOSA-N 366.505 4.146 0 40 FIAB C[C@H](NC(=O)COC(=O)C1(c2ccccc2)CCCC1)c1ccc(F)cc1 5015390 GAFOJARDLMQOHM-INIZCTEOSA-N 369.436 4.058 0 40 FIAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 5272362 DZQWGLDYIOCSLT-HIGJEIRPSA-N 359.510 4.407 0 40 FIAB C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cccc3cccc1c23 6128173 OPENFLFGWANTTE-GFCCVEGCSA-N 350.805 4.481 0 40 FIAB CC(C)(C)NC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 6159245 PRXGGAMILQUTMT-UHFFFAOYSA-N 359.433 4.148 0 40 FIAB CC(C)CCNC(=O)/C(=C/c1ccccc1F)c1nc2ccccc2[nH]1 6563658 IAALTRCBMOCYET-DTQAZKPQSA-N 351.425 4.405 0 40 FIAB O=C(Cc1ccc(F)cc1)N1CCc2nc(-c3ccccc3)sc2C1 6755781 UPONVRFMMWUVBC-UHFFFAOYSA-N 352.434 4.077 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 6957186 WEHKMIACFPLVLN-APWZRJJASA-N 366.461 4.282 0 40 FIAB Cc1c(Cl)cccc1NC(=S)N1CCN(c2ccccc2F)CC1 6960699 UQIDRHXBCAVQOR-UHFFFAOYSA-N 363.889 4.307 0 40 FIAB Cc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2N2CCCCC2)cc1 7104685 DMNQMOODADQEHX-UHFFFAOYSA-N 372.538 4.273 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Br)cc2)c1 7277526 NNEIUTVEVVEMQE-NSHDSACASA-N 361.239 4.091 0 40 FIAB Cc1nnc(S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)O)o1 7603666 YOYSKOODTDFKKC-LCYFTJDESA-N 360.416 4.340 0 40 FIAB O=C(NCCSCc1ccsc1)c1ccc(Br)cc1 7696917 PXDAZWHWJOLPMO-UHFFFAOYSA-N 356.310 4.174 0 40 FIAB O=C(CSc1nccn1-c1cccc(F)c1)N1CC[C@H]2CCCC[C@@H]2C1 7738158 JLXLOHCSFKRAMK-HZPDHXFCSA-N 373.497 4.142 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccc(C)c1 8112643 WKHQNXORPDJUEI-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB C[C@@H](NC(=O)CSc1ncnc2ccccc12)c1ccccc1Cl 8190610 IKEHACJKGBCUTA-GFCCVEGCSA-N 357.866 4.253 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1Cl 8218484 LBEWLENWDSXGMF-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(OC)cc1 8345111 AGHLNVICWPUINK-UHFFFAOYSA-N 361.463 4.384 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Cc1cccc2ccccc12)c1ccccc1 9637841 FNWXEHAZCRNDSM-JOCHJYFZSA-N 355.441 4.022 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)o2)cc1 10025191 WLZBDKWAXVFHRJ-UHFFFAOYSA-N 354.431 4.283 0 40 FIAB CC1CCN(C(=O)[C@@H](C)Sc2nccn2-c2ccc(Cl)cc2)CC1 10244337 RSFHMQJXSZXACL-CQSZACIVSA-N 363.914 4.265 0 40 FIAB Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1 10260891 CIPMSDOTVYMVMY-QGZVFWFLSA-N 354.841 4.293 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1cccc(Cl)c1 10447731 IFDITYXFRCLLJY-GFCCVEGCSA-N 356.857 4.465 0 40 FIAB Cc1cc(C(=O)N(C)Cc2ccccc2Cl)c2cnn(C(C)C)c2n1 10964139 PPHBIRQCIFQQCC-UHFFFAOYSA-N 356.857 4.246 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 12106861 QHGAKSDXHGJUAI-DHZHZOJOSA-N 372.424 4.472 0 40 FIAB C=COCCCNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 12219406 PLMWIFFZMWDETA-UHFFFAOYSA-N 355.829 4.149 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)c1cccnc1SC(F)F 12828867 NYSUBGAEOINKNP-UHFFFAOYSA-N 355.435 4.374 0 40 FIAB COc1ccc(CCCN(C)C(=O)c2ccc3ncsc3c2)cc1OC 12887693 NSHYGLYHYUXBMG-UHFFFAOYSA-N 370.474 4.018 0 40 FIAB CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3ccc(F)cc3)oc12 12922919 NLTXSGMWCNDTOF-LBPRGKRZSA-N 363.410 4.010 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(Cl)c1 12924261 MGRZEFDADVCMIG-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cccc(F)c1 12972660 MBDGSDMBWMUZKF-KGLIPLIRSA-N 369.440 4.296 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccccc2)C4)cc1 13634181 KZQGAOGCVAXZLU-KRWDZBQOSA-N 354.413 4.012 0 40 FIAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(Br)s1 13938903 UBTPNPXAZJICTI-SNVBAGLBSA-N 354.335 4.005 0 40 FIAB Cc1sc2ncnc(Sc3nnc(-c4ccccc4F)n3C)c2c1C 14159900 DNIJOAZXMLGWNB-UHFFFAOYSA-N 371.466 4.394 0 40 FIAB CCOc1ccc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1OC 19533806 DJPJZWYHPRQCIC-QGZVFWFLSA-N 365.477 4.350 0 40 FIAB O=C(O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 19933224 VXGUVZRCYJJEDA-UHFFFAOYSA-N 372.424 4.200 0 40 FIAB O=C(Nc1nccs1)C1(c2ccc(Br)cc2)CCCC1 22842955 RILGVIOGMWGIOJ-UHFFFAOYSA-N 351.269 4.356 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc2ccccc2cc1O 24226192 TVZVTAJKBMGARA-UHFFFAOYSA-N 371.440 4.062 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1 24356674 OTBGJEJLPDKDJM-UHFFFAOYSA-N 359.857 4.375 0 40 FIAB Cc1cc([C@@H](C)NC(=O)c2ccc(NC(=O)NC3CC3)cc2)c(C)s1 25015438 HARIRJXVHSOPGS-GFCCVEGCSA-N 357.479 4.140 0 40 FIAB COc1cc(/C=C/C(=O)NCCCO[C@@H](C)c2ccccc2)cc(OC)c1 25672724 DKBHXQSLDYPYTJ-DVQDXYAYSA-N 369.461 4.001 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc(N)cc(N)n1 32871078 AWEJPJQSZINRQW-UHFFFAOYSA-N 373.526 4.009 0 40 FIAB COc1cc(NC(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)cc1Cl 40103664 YWCBJWBCFILCND-JTQLQIEISA-N 352.793 4.379 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1 58137667 RADNGQKRKNQDLX-GFCCVEGCSA-N 363.889 4.467 0 40 FIAB COc1ccc(C2(NC(=O)CCc3ccccc3OC)CCCC2)cc1 58210587 OSMFDZGUSZNYFS-UHFFFAOYSA-N 353.462 4.222 0 40 FIAB COC(=O)c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 71761649 WVRWBNBOMGYQGS-UHFFFAOYSA-N 370.352 4.181 0 40 FIAB COc1ccc(-c2csc(CNC(=O)c3ccccc3Cl)n2)cc1 72264950 ZCALZFGDYCJDPW-UHFFFAOYSA-N 358.850 4.402 0 40 FIAB C[C@@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@H]1c1ccc(F)cc1)OCO3 73293782 WTOYXTZDCYEBQM-DYXDTQHNSA-N 355.409 4.137 0 40 FIAB C[C@@H](C(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)n1cccn1 83927635 ZDIYYGCBPOGMNJ-MGPUTAFESA-N 365.502 4.290 0 40 FIAB Cc1cc(-c2csc(NC(=O)[C@@H]3Oc4ccccc4O[C@@H]3C)n2)c(C)o1 84081693 OIYXLHJODVKYNJ-SJKOYZFVSA-N 370.430 4.187 0 40 FIAB CCc1noc(CC)c1CNC(=O)N1CCC[C@@H]1c1cccc(C)c1C 87170595 AKWIZCMJGCBTTJ-LJQANCHMSA-N 355.482 4.463 0 40 FIAB CC(C)CN1CCO[C@H](CNc2cc(C(F)(F)F)nc3ccccc23)C1 89840211 JEINXLAMQOMLIB-CQSZACIVSA-N 367.415 4.022 0 40 FIAB Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4cccs4)C3)C2)s1 96047018 SYCUZJGQAWOPAY-IBGZPJMESA-N 360.548 4.246 0 40 FIAB Fc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3ncnc3N2)cc1 100869056 QIJZPYNLIDTRQP-INIZCTEOSA-N 371.213 4.236 0 40 FIAB CCc1ccc([C@@H]2COCCN2C(=O)N[C@H]2CCCc3sccc32)o1 136622900 SDEQKRFQRZHVFZ-HOTGVXAUSA-N 360.479 4.064 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCc2ccccc21 219293890 ULIPLWAKSMPRFB-MRXNPFEDSA-N 372.896 4.066 0 40 FIAB CCCc1ccc(OCCNC(=O)CSCc2ccccc2C)cc1 223398616 JCZSCCHYECCWGE-UHFFFAOYSA-N 357.519 4.376 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)n1C 224427541 SXFNWZFHRNWXBC-MOPGFXCFSA-N 366.465 4.045 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(F)cc1 224459357 BGTYKGIOYIJHLM-NRFANRHFSA-N 351.421 4.495 0 40 FIAB O=C(CCc1ccccc1F)Nc1ccc(C(=O)N2CCCCC2)cc1 224887633 PJPSZXAISJRIKA-UHFFFAOYSA-N 354.425 4.023 0 40 FIAB COc1ccc(NC(=S)NCCSCc2ccco2)cc1Cl 225347638 RHMHPNACXVZCRS-UHFFFAOYSA-N 356.900 4.161 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C)n1 225873177 CMMKSHGWWWJVIN-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB Cc1ccc2c(c1)nnn2C(=O)COc1c(C)cc(Cl)cc1Cl 226359731 WKZPYLKZWKAVPV-UHFFFAOYSA-N 350.205 4.074 0 40 FIAB O=C(O)[C@H]1CS[C@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 408817434 WFIUUGHHKOHUKA-SJLPKXTDSA-N 372.877 4.131 0 40 FIAB COc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl 409014961 QYJZZCYODGWCFT-NTEUORMPSA-N 363.200 4.099 0 40 FIAB Cc1ccccc1CSCCNS(=O)(=O)c1ccc2ccccc2c1 409382202 PVLBJWYDCQNYOG-UHFFFAOYSA-N 371.527 4.360 0 40 FIAB CCc1oc(C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1C 646251803 UEXKOZKAYYBHRN-UHFFFAOYSA-N 351.450 4.122 0 40 FIAB Brc1ccc(N2CCC(c3ccc4cccnc4n3)CC2)nc1 656215061 SKHRCUBDOBHKIF-UHFFFAOYSA-N 369.266 4.171 0 40 FIAB C[C@@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(C(F)F)nc1 657924681 DYRDVQLPBNYANJ-BMIGLBTASA-N 371.225 4.166 0 40 FIAB C[C@@H]1CN(C(=O)[C@H](C)c2ccccc2C(F)(F)F)c2cccnc2O1 677046071 YAAVXAHGGODCTE-VXGBXAGGSA-N 350.340 4.018 0 40 FIAB O=C(c1ccc2nc(O)oc2c1)N1C[C@@H](c2ccccc2)c2ccccc21 683456712 JXVTXRLFGXGEDA-KRWDZBQOSA-N 356.381 4.326 0 40 FIAB CC1=CC(C)(C)N2C(=O)/C(=C\N=c3[nH]c4ccccc4[nH]3)c3cc(C)cc1c32 2033970185 XIPZRYVXOKQDAA-ATVHPVEESA-N 370.456 4.288 0 40 FIAB Cc1c(Cl)cccc1N1C(=O)c2ccc(Br)cc2C1=O 649710 YZSBARKNIXFKLW-UHFFFAOYSA-N 350.599 4.212 0 40 FIAB O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccccc1 1015136 VOEUKFCBCKEDDO-QHCPKHFHSA-N 353.421 4.326 0 40 FIAB Cc1ccc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)s1 1330238 DMXZHOKSIPVOMZ-UHFFFAOYSA-N 370.518 4.379 0 40 FIAB CCCN(C(=O)COc1ccccc1)c1nnc(-c2ccccc2C)s1 1345298 JIMVZICUJAPWFL-UHFFFAOYSA-N 367.474 4.336 0 40 FIAB Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)n2)cc1 1363404 KECDBRHCPFRYFL-KRWDZBQOSA-N 365.408 4.204 0 40 FIAB CCn1c(COc2ccc(Cl)c3cccnc23)nnc1SC(F)F 1452056 WYIUJOBIBVJKDN-UHFFFAOYSA-N 370.812 4.393 0 40 FIAB O=S(=O)(CCCN1CCCCC1)C(c1ccccc1)c1ccccc1 1665083 KTTGQWFWLZTOJZ-UHFFFAOYSA-N 357.519 4.067 0 40 FIAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1C(F)(F)F 2347227 MSIZHHPCSLBMDW-UHFFFAOYSA-N 361.323 4.327 0 40 FIAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1nccs1 3007346 WHXUHNMFTSWNDO-UHFFFAOYSA-N 368.896 4.046 0 40 FIAB O=c1c2sccc2nc(SCc2cccnc2)n1-c1ccccc1 3059304 QLKPODLKVOTOSS-UHFFFAOYSA-N 351.456 4.135 0 40 FIAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)c1ccco1 3135907 QRHWEKKLMPCUEQ-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB Cc1ccc(Nc2nnc(SCc3cn4cccnc4n3)s2)c(C)c1 3276797 CQDXPOQBOAFEPC-UHFFFAOYSA-N 368.491 4.234 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 3329896 UXKFAXOCSWEDEB-UHFFFAOYSA-N 358.441 4.339 0 40 FIAB c1coc([C@H](CNc2ncnc3sc4c(c23)CCC4)N2CCCC2)c1 3349313 MXYGIZIIOCUYNR-AWEZNQCLSA-N 354.479 4.022 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)s2)cc1 4087768 LFZUFRULWZGKHT-UHFFFAOYSA-N 357.410 4.384 0 40 FIAB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)CC(C)C)c1 4091639 ZVDGNBWHHNHVOX-UHFFFAOYSA-N 369.490 4.106 0 40 FIAB O=c1nc(/C=C/c2ccc(-c3cccc(F)c3)o2)cc(C(F)(F)F)[nH]1 4094599 HVGHDGIWVBOZAF-SNAWJCMRSA-N 350.271 4.358 0 40 FIAB COc1ccc(CCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166992 ACSCJOSRWIVQCC-UHFFFAOYSA-N 366.486 4.110 0 40 FIAB biogenic COc1ccccc1NC(=O)NCCSCc1ccccc1Cl 4390626 ZZQFXEYXHVFBIB-UHFFFAOYSA-N 350.871 4.404 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2cccc(Cl)c2)c(C)c1 4539351 QWSJOOFWMNTZSL-KRWDZBQOSA-N 367.923 4.393 0 40 FIAB Cc1cccc(NC(=O)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 4888169 HUBJJRMFVGTSHN-AYHJJNSGSA-N 357.498 4.075 0 40 FIAB C/C=C/C(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 5106979 CNWMOTYCERJYMG-GORDUTHDSA-N 356.328 4.478 0 40 FIAB O=C(C1CCCCC1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181921 JMPDNHQNAIAWNW-UHFFFAOYSA-N 363.914 4.179 0 40 FIAB CC[C@]1(C)C[C@](CCNS(=O)(=O)c2ccc(C)cc2)(C(C)C)CCO1 5478104 DXAOAYWMNMKZIG-WOJBJXKFSA-N 367.555 4.285 0 40 FIAB COc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1OC 5577508 RQVRHGIYDFLCGO-UHFFFAOYSA-N 370.232 4.200 0 40 FIAB O=C(CSc1nc2ccccc2o1)Nc1ncc(Cl)cc1Cl 5628662 ZOZZROHUETZJKT-UHFFFAOYSA-N 354.218 4.260 0 40 FIAB CCCCc1ccc2c(c1)sc(=N)n2CC(=O)Nc1ccc(C)cc1 5693799 XZGPWWVPTHTTNW-UHFFFAOYSA-N 353.491 4.472 0 40 FIAB CCOc1cc2c(cc1C/C=C\c1cc(OC)c(OC)c(OC)c1)OCO2 5765681 WCWUKQRHYLJJDN-SREVYHEPSA-N 372.417 4.096 0 40 FIAB O=C(c1cccc2ccccc12)N1CCN(CCCc2ccccc2)CC1 6061070 DUEWLPPMISKJNW-UHFFFAOYSA-N 358.485 4.230 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cccc(SC)c2)c(OC)c1OC 6170320 UOLNGVMLVVRQOI-PKNBQFBNSA-N 359.447 4.086 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 6183409 RMFVCOCCPINQGL-CQSZACIVSA-N 354.450 4.349 0 40 FIAB CSc1ncc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cn1 6425830 YWRGKOWDYZAHAI-UHFFFAOYSA-N 350.856 4.022 0 40 FIAB O=C(/C=C/c1ccco1)Oc1cccc(OC(=O)/C=C/c2ccco2)c1 6828869 ACACKGZUIZADJO-GFULKKFKSA-N 350.326 4.110 0 40 FIAB CN(C)C(=O)[C@H](Oc1ccc(Br)cc1Cl)c1ccccc1 6842051 ZCBWUXZXKSIIAR-OAHLLOKOSA-N 368.658 4.311 0 40 FIAB COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OC 8534228 BYWQEZSARHEXQS-LBPRGKRZSA-N 350.256 4.317 0 40 FIAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccccc2Cl)cc1 8761848 NTDXVIHMQBSBNU-UHFFFAOYSA-N 358.850 4.177 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 8915640 KUQXCWPHGQXFNX-LBPRGKRZSA-N 357.797 4.104 0 40 FIAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 8931420 YFJXEBCXXGDKPQ-UHFFFAOYSA-N 373.865 4.161 0 40 FIAB COc1cc(CCC2CCN(C(=O)c3ccccc3C)CC2)cc(OC)c1 11128341 XQSYRTOTBJVQSP-UHFFFAOYSA-N 367.489 4.497 0 40 FIAB O=C(OCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccsc1 11418306 RUMVDPIQGVBRJD-UHFFFAOYSA-N 354.309 4.174 0 40 FIAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)c1ccccc1 11764424 BTGCECDBCHODFF-UHFFFAOYSA-N 358.445 4.095 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21 12327480 MJBYAVZRRUSJNO-KDOFPFPSSA-N 351.425 4.005 0 40 FIAB Cc1cc(I)ccc1NC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 12445905 VMSFOQJSTHLYQG-XQQFMLRXSA-N 369.246 4.364 0 40 FIAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc2ccccc2[nH]1 12756698 GUEBZDFFAXUFSD-HXUWFJFHSA-N 362.429 4.079 0 40 FIAB COCCn1c(SCc2cc(C)ccc2OC)nnc1-c1ccccc1 12794929 LCAZBTJZNUTEMP-UHFFFAOYSA-N 369.490 4.201 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1cnn(-c2ccccc2)c1 12918444 VEJFHNGURKDVOL-ZHACJKMWSA-N 369.827 4.337 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1 12925201 OTBJZSGZWWJSOA-INIZCTEOSA-N 355.240 4.165 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccnn3Cc3ccccc3)no2)cc1 13724044 QEXBOFIHCPSWMI-UHFFFAOYSA-N 358.401 4.147 0 40 FIAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccccc2)c1 14609615 IVEBMPUFBYBVHG-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB CN(Cc1csc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 15297090 IHRSTZXUFWQOOA-AWEZNQCLSA-N 358.488 4.143 0 40 FIAB C[C@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC(C)(C)C 18515605 CHDVEEUMQSIOEQ-VIFPVBQESA-N 370.931 4.330 0 40 FIAB CCCn1nc(C)c(-c2cncn2[C@H](CCN(C)C)c2ccccc2)c1C 19654622 LYJJZFACRXFYJO-HXUWFJFHSA-N 365.525 4.315 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)[C@H]2CCCO2)n1 19691469 ZFYRLCXPJIOJPQ-WOJBJXKFSA-N 354.425 4.039 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 20455707 REECVXRLMLLRKA-ZIAGYGMSSA-N 374.868 4.274 0 40 FIAB CC(C)c1ccc(-c2nc3c4c5c(sc4ncn3n2)CN(C)CC5)cc1 20677551 YVUXNOPJSIOBCR-UHFFFAOYSA-N 363.490 4.117 0 40 FIAB COc1cc([C@@H]2SCC(O)=Nc3n[nH]cc32)ccc1OC1CCCC1 20739046 XSQLQJGQWQHFOH-KRWDZBQOSA-N 359.451 4.164 0 40 FIAB CN(C)[C@@H](CNC(=O)NCc1cccc2ccccc12)c1ccsc1 22766924 OPLOWWZJMDBKMH-IBGZPJMESA-N 353.491 4.003 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)C12CC3CC(CC(C3)C1)C2 23238087 GRNJKRRGSGRWHK-UHFFFAOYSA-N 359.535 4.129 0 40 FIAB CN(Cc1ccc(F)cc1F)S(=O)(=O)c1c(Cl)cccc1Cl 24441154 ZHNYSUIPCGAAPV-UHFFFAOYSA-N 366.216 4.092 0 40 FIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccc(F)cc1 27663883 MTZCZBPNDFHPDA-IBGZPJMESA-N 360.860 4.436 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)(C)C 27823529 XIYUPASGHMFFFW-UHFFFAOYSA-N 362.495 4.359 0 40 FIAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)cc1 32843097 VYZQLPGQLLNUMB-QFIPXVFZSA-N 358.441 4.438 0 40 FIAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc2ccccc2[nH]1 32913925 SPFWLJNWKBUQOS-UHFFFAOYSA-N 366.421 4.310 0 40 FIAB Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 35290341 FSFPNTJCKHFHHB-FRIKZZABSA-N 366.480 4.450 0 40 FIAB CC(=O)N1CCCN(C(=S)Nc2c(C(C)C)cccc2C(C)C)CC1 44071133 IHBUGVSITPGJIW-UHFFFAOYSA-N 361.555 4.184 0 40 FIAB C[C@@H](C(=O)Nc1nc(-c2cccs2)cs1)n1cnc2ccccc21 46083346 BYOQAQZKDHMPRY-NSHDSACASA-N 354.460 4.421 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1)NC1CC1 55448627 RCIAORSHCGOGKI-GJZGRUSLSA-N 369.387 4.278 0 40 FIAB CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1C 58161796 PSIHIWCMXSSGFD-UHFFFAOYSA-N 366.508 4.213 0 40 FIAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1 72404200 DTGYPLOYLSFRBD-AWEZNQCLSA-N 369.446 4.134 0 40 FIAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(CC)cc3)ns2)cc1 72427645 HYZJZJAHAMZABP-UHFFFAOYSA-N 367.474 4.347 0 40 FIAB O=C1CCCCCN1CCNc1nc(-c2ccsc2)nc2ccccc12 84593331 IMPQFKZABQEMLO-UHFFFAOYSA-N 366.490 4.173 0 40 FIAB CC(C)(C)c1nc(C(C)(C)NC(=O)N[C@H](c2ccccc2)C2CC2)no1 89725270 LTNLWNPPLVGUAP-OAHLLOKOSA-N 356.470 4.053 0 40 FIAB O=C(Nc1cccs1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096598 AQFZQALGLHTHDM-UHFFFAOYSA-N 360.464 4.271 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96102815 WBGXDLMCBPSNCX-VOTSOKGWSA-N 365.458 4.218 0 40 FIAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccncc1 96305731 DTIPOBBHJBNHCQ-UHFFFAOYSA-N 362.495 4.493 0 40 FIAB OC1(c2ccccc2F)C[C@H]2CC[C@H](C1)N2CCCOc1ccccc1 100751145 GDJZQDGBGLRMFP-QZTJIDSGSA-N 355.453 4.109 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102833696 KKAGALZTOVTWOT-XSYNCLLFSA-N 370.884 4.174 0 40 FIAB O=C1[C@H]2[C@H]3CCC[C@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1 102963231 MJDPELULEMYNCS-VVVONTASSA-N 356.425 4.338 0 40 FIAB O=C(NCCCn1ccc2cccnc21)C1(c2cccs2)CCCC1 206660375 CLBGMDRSWRPDRE-UHFFFAOYSA-N 353.491 4.116 0 40 FIAB COc1cc(OC)cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 218893768 BZIABCXXSVONIZ-OAHLLOKOSA-N 371.477 4.258 0 40 FIAB CCOc1ccc(CNC(=O)CSCc2cccc(C)c2)cc1OCC 222740748 QKLUHQWJQRJBQR-UHFFFAOYSA-N 373.518 4.342 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(C(=O)OC)ccc1C 222951871 GZXZUBJANIJUJE-SFHVURJKSA-N 355.434 4.195 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2CCC(C)CC2)c1 223093529 UFTYUKRHGBVGRE-LJQANCHMSA-N 360.542 4.124 0 40 FIAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCC(C)(C)C)n2)cc1 225226396 TYYUGYCONMVONN-UHFFFAOYSA-N 373.526 4.260 0 40 FIAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257320087 VVIDZFUSQMQXJW-QGZVFWFLSA-N 367.474 4.398 0 40 FIAB CCOc1ccc(C(=O)NCCCN2CCCC[C@H]2CC)cc1Cl 260769628 PYFJBZPKRCTFHT-MRXNPFEDSA-N 352.906 4.123 0 40 FIAB Cc1ccc(NC(=O)c2nc(-c3ccn(C(C)C)c3)n3ccccc23)nc1 306142785 XJVDMKXPEMOVFG-UHFFFAOYSA-N 359.433 4.339 0 40 FIAB Cc1[nH]nc(C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1C 331546219 NOIGRJPOCXGCHH-GJZGRUSLSA-N 351.372 4.111 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)cc1 408615549 QMLVEAPCHBHLBM-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 408810085 SXTDURDGHAIHQD-UHFFFAOYSA-N 359.858 4.420 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H](n2cnc3ccccc32)C1 575617418 PQYIKAUBEUGCKU-HNNXBMFYSA-N 359.351 4.142 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 618255980 LUEWMRSNDVKNSD-UKRRQHHQSA-N 373.499 4.094 0 40 FIAB CCCCc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1 670417813 IHBMQKPBDWILCP-UHFFFAOYSA-N 362.832 4.190 0 40 FIAB Cc1ccc2nc([C@H]3CCCN3C(=O)NCc3cscc3C)[nH]c2c1 683847921 UBFNZUFMZFRHNO-QGZVFWFLSA-N 354.479 4.288 0 40 FIAB CC(C)(C)c1nccc(N2CCC(c3noc4cc(F)ccc34)CC2)n1 685922359 PITFUQGVWRRIPE-UHFFFAOYSA-N 354.429 4.438 0 40 FIAB O[C@]1(CNCc2c[nH]nc2-c2ccc(Cl)cc2)CCCc2ccccc21 1116018725 KNKAECXHHLDLIC-NRFANRHFSA-N 367.880 4.044 0 40 FIAB O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CC[C@H](C2CC2)C1 1319624607 RFKLLMLTUUHFMY-KRWDZBQOSA-N 367.468 4.288 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccnc1 846829 FHHUOMIASPLEJC-UHFFFAOYSA-N 352.415 4.239 0 40 FIAB COC(=O)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 957061 BIOOIWCYABACHI-MDZDMXLPSA-N 350.201 4.432 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C 1225064 AMEBRMNGWJWCHV-ZDUSSCGKSA-N 372.519 4.280 0 40 FIAB COc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1377876 ZUXJTOIUGBYYCU-IAGOWNOFSA-N 370.518 4.072 0 40 FIAB COc1ccc(-c2csc(-n3ncc(-c4cccs4)c3N)n2)cc1 1386172 CANUGVKYRMGANN-UHFFFAOYSA-N 354.460 4.315 0 40 FIAB CC(C)(SCc1ccccc1)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2035150 ZJJHGRDZZNAIKF-QGZVFWFLSA-N 373.474 4.078 0 40 FIAB CCC(C)(C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 2799760 LWPIYVSXTGJEDS-UHFFFAOYSA-N 359.319 4.333 0 40 FIAB Cc1cc(C)n2c(SCC(=O)c3ccc(Cl)c(Cl)c3)nnc2n1 3223382 YYUVYPQLICLVPC-UHFFFAOYSA-N 367.261 4.023 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nncn1-c1ccccc1 3546119 TUPMDFYAFRWQLG-UHFFFAOYSA-N 353.447 4.161 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccccc2SC)sc2c1CCC2 3901075 MQEZIVJMEZCTQZ-UHFFFAOYSA-N 361.488 4.388 0 40 FIAB CCCCOc1ccc(-c2nnn(Cc3c(F)cccc3Cl)n2)cc1 4183058 UMEZXCCTKIRKPA-UHFFFAOYSA-N 360.820 4.360 0 40 FIAB CCOCC(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 4341977 GDWJTVWHBWKQRV-UHFFFAOYSA-N 372.808 4.314 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)n1 4820430 FXEUXGJGTLZYPZ-FCHSOHFDSA-N 358.554 4.110 0 40 FIAB CCOC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc2c1CCCC2 5268329 VXYSWVMVJXOZGK-UHFFFAOYSA-N 361.438 4.124 0 40 FIAB COc1cccc(NC(=S)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)c1 5423204 CRLWGFFHUVDUHW-ZDUSSCGKSA-N 372.490 4.029 0 40 FIAB COC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CCC2 5526395 RYNGFPZKROYVBZ-UHFFFAOYSA-N 350.827 4.321 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3F)CC2=O)c1C 5688074 AUCKGNARDZDHAM-ZDUSSCGKSA-N 360.816 4.088 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)COc2ccccc2C(C)(C)C)c1 5749850 YWNDSYVVNTUPLF-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(N3CCC[C@@H](C)C3)sc2Cl)cc1 5936517 DGOUPJNKWSBXKZ-GFCCVEGCSA-N 370.927 4.174 0 40 FIAB Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c(C)o1 6657452 POYSKAMWZGGKRE-FQEVSTJZSA-N 359.429 4.487 0 40 FIAB CCN(CC)c1ccc(C(=O)OCc2nc(-c3cccs3)no2)cc1 6983645 CSAURIIAQKPGTK-UHFFFAOYSA-N 357.435 4.001 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Br 7306108 BDNZTURZAVDCSB-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 7737774 QVMMVWQNPFPGHC-HSZRJFAPSA-N 373.452 4.368 0 40 FIAB CCOc1ccccc1OCCCC(=O)Nc1cccc2ncccc12 7757870 LDRNZAVDJNCYAK-UHFFFAOYSA-N 350.418 4.431 0 40 FIAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1F 7988478 LEWTUGMZZVCFNJ-MRXNPFEDSA-N 353.846 4.177 0 40 FIAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccccc1F 8131277 NRDMIBJHTBQYBD-UHFFFAOYSA-N 354.429 4.339 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 8136845 LEJFGTQQZMKVTP-OAHLLOKOSA-N 350.418 4.242 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COc1ccc(-c2nnco2)cc1 8733997 XFNOEYDUDUAIOF-UHFFFAOYSA-N 364.357 4.239 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c(OC)c1 9762591 LRNKESJTCLOIDY-INIZCTEOSA-N 357.475 4.231 0 40 FIAB Cc1ccc(C)c(CSc2ncc(CO)n2Cc2ccc(F)cc2)c1 10336410 BETPYNYTDPFRPY-UHFFFAOYSA-N 356.466 4.472 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1Cl 11916842 TWSMIDFLXRNFSZ-UHFFFAOYSA-N 370.792 4.327 0 40 FIAB C[C@@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)c1ccc(F)cc1 12222727 HFBDTPRAAGXFDX-NSHDSACASA-N 365.330 4.013 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12547574 UFRACGFNRCJALJ-ACJLOTCBSA-N 369.852 4.347 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C(=O)C[C@@]2(C)C1 13399291 XJADJSSOKJQZDB-WYXXNSJISA-N 360.494 4.099 0 40 FIAB CCCc1cc(O)nc(S[C@@H](C(=O)NC2CCCC2)c2ccccc2)n1 13945435 BPIZMXKFKOGNBE-GOSISDBHSA-N 371.506 4.027 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NCCc4cn5ccccc5n4)c23)C1 14094094 DINAKOBVPKDXJP-CYBMUJFWSA-N 363.490 4.118 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)s1)NCCSc1ccccc1 15136988 YUDYQRNBWTUCAS-UHFFFAOYSA-N 353.896 4.273 0 40 FIAB Cc1ccc(CN(CCCN2CCOCC2)Cc2sccc2C)s1 19238576 MJKGKICUEPZEFD-UHFFFAOYSA-N 364.580 4.151 0 40 FIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20144170 SFHORXRHCRUWKW-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 20490969 LDOWNBAWXIXVPT-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CCN1CCc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 21295125 SDNIWZFRPVZQDP-UHFFFAOYSA-N 363.486 4.440 0 40 FIAB CCCC[C@@H](Sc1nc(C2CCCC2)n[nH]1)C(=O)Nc1cc(C)on1 21809285 WHMHNDSTNDNQTJ-CYBMUJFWSA-N 363.487 4.048 0 40 FIAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CCc3ccsc3)n2)C1 22294662 KVFLWCVCDWKDOE-OKILXGFUSA-N 363.552 4.254 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)n1C1CC1)Nc1nccs1 23505469 BOQRUTLXRMIDSM-UHFFFAOYSA-N 356.476 4.072 0 40 FIAB CCCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 24044695 IXCYZLMKJZJOAA-GFCCVEGCSA-N 372.494 4.340 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1F 24769396 DXAFXIZMJHMSID-UHFFFAOYSA-N 370.405 4.145 0 40 FIAB Cc1ccc(OCCNC(=O)Cc2nc(-c3cccs3)oc2C)c(C)c1 25038523 CEPYYKZZYNPJFT-UHFFFAOYSA-N 370.474 4.066 0 40 FIAB Cc1cc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c(C)o1 25549554 GVPYUSSNUGMSMD-UHFFFAOYSA-N 373.250 4.339 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2cccc3ccccc23)c1 26197488 NUONQNCLDCVHPS-UHFFFAOYSA-N 369.804 4.297 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1 27583243 HTAIYANUVRDAIT-UHFFFAOYSA-N 350.374 4.195 0 40 FIAB O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)N1CCCCCC1 28235083 IKLOIRDSCUFKOU-UHFFFAOYSA-N 368.264 4.243 0 40 FIAB Cc1ccccc1CSc1nnc(Nc2cccc(C)c2C)c(=O)n1C 28527349 LIHKAVGOILQGHI-UHFFFAOYSA-N 366.490 4.136 0 40 FIAB CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc(Cl)c1 33156394 XHDYIHURLSJNJB-CYBMUJFWSA-N 365.882 4.013 0 40 FIAB Cc1ccccc1NC(=O)c1sc2ncn(C3CCCC3)c(=O)c2c1C 35672675 BIKDYECMEUNWHL-UHFFFAOYSA-N 367.474 4.442 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCc2ccccc21 38500920 ALSIZUAFMUZUOV-UHFFFAOYSA-N 365.408 4.003 0 40 FIAB COc1c(C)cc(C(=O)c2cccc(I)c2)cc1C 43210142 OAJMNOHUHFRTNR-UHFFFAOYSA-N 366.198 4.148 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)Nc1cccc3c1CCCC3)CC2 43316331 BMJMHYNQPCEPLT-UHFFFAOYSA-N 366.461 4.173 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](C)c1cccc(Cl)c1 43669086 YMVSXBBJHRPRPI-LLVKDONJSA-N 361.829 4.190 0 40 FIAB O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 54136115 SYTAQOXLLBLSEX-IPMKNSEASA-N 367.420 4.064 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCc3cccc(Br)c3)n[nH]2)cc1 57477259 FHNQVEVKHPTSKA-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB Cc1nc(C)c(-c2nnc(SCc3nc(CCC(C)C)no3)o2)s1 58170883 YACDFBSQLMLQKC-UHFFFAOYSA-N 365.484 4.074 0 40 FIAB Cc1ccc([C@H](C)NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 67061089 HPHDPKXEJPARJC-IFXJQAMLSA-N 360.404 4.117 0 40 FIAB Cc1cc(NC(=O)N[C@@H]2CCSc3ccc(F)cc32)n(C(C)(C)C)n1 68579479 VQHUQXQCQHUGNA-CQSZACIVSA-N 362.474 4.444 0 40 FIAB COC(=O)C1CCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1 79092086 PAEVTQZOWKLKAL-UHFFFAOYSA-N 370.396 4.218 0 40 FIAB CN(C)c1ncccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 83854175 KFILNMMBSJCZJT-UHFFFAOYSA-N 358.401 4.208 0 40 FIAB CCn1c([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n[nH]c1=S 85400161 WTFFDWARWDIHCW-CYBMUJFWSA-N 352.891 4.131 0 40 FIAB CCOC(=O)CSc1cc(C)nc2c(C)cc(Br)cc12 95095270 RYNNMBIFZZJKSF-UHFFFAOYSA-N 354.269 4.269 0 40 FIAB CCN(C(=O)Nc1nnc(C(F)(F)F)s1)[C@@H](C)c1ccc(F)cc1 95351905 UDKGDZBYDGFNRY-QMMMGPOBSA-N 362.352 4.311 0 40 FIAB O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1ccccc1F 98086350 ZABJOCQZCGTARP-WOJGMQOQSA-N 369.417 4.387 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1cccc2ccccc12 223556659 BUBYSRHGYSMBCA-LJQANCHMSA-N 367.420 4.332 0 40 FIAB COc1ccccc1/C=C/C(=O)NCCOc1ccccc1C(C)(C)C 223666474 AISGNPNTPVWPJF-BUHFOSPRSA-N 353.462 4.201 0 40 FIAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 224590386 FIYAVGRBOLLEEI-SJORKVTESA-N 353.472 4.026 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COC(C)C 224718776 IFGMYLYOAOHIAI-UHFFFAOYSA-N 355.434 4.465 0 40 FIAB COc1ccc(CCNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 225657080 NLUAESXGXWCNKZ-UHFFFAOYSA-N 371.477 4.117 0 40 FIAB O=C(c1ccccc1C(F)(F)F)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225676371 UMUOEETVIZBVCD-ZDUSSCGKSA-N 363.335 4.064 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1C 225708473 HSLPZRUTAAQHMR-HNNXBMFYSA-N 355.507 4.053 0 40 FIAB Cc1cccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)c1 225832379 GOBRHFOEIKHSAV-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB COc1ccc(/C=C/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409244152 YQLDDRIDXLCYRH-GFJWLWTISA-N 354.793 4.002 0 40 FIAB O=C(Cc1cccc2ccccc12)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 553044031 RINJOORULABNNF-TZRRMPRUSA-N 371.480 4.413 0 40 FIAB CSCc1cccnc1C(=O)N(Cc1ccccc1)[C@@H]1COC(C)(C)C1 598854278 RXURFHVQCVFZKR-SFHVURJKSA-N 370.518 4.155 0 40 FIAB COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cnc(C2CC2)o1 628196897 IBBULXHZDJNSKE-UHFFFAOYSA-N 369.465 4.189 0 40 FIAB CC(C)c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2ccccc2)cc1 1661569574 XMOYVNPZAPFJAW-LJQANCHMSA-N 361.532 4.289 0 40 FIAB Cc1cccc(OC[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n1 1775969480 ULQAJCXJVQREBV-OAHLLOKOSA-N 359.857 4.366 0 40 FIAB COc1cc(C)c(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1C(C)C 683499 MMEGLBYDBDAKJI-LDADJPATSA-N 366.486 4.389 0 40 FIAB Cc1ccccc1Cn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1321113 KZHKDILEIYBFKX-OAHLLOKOSA-N 367.518 4.361 0 40 FIAB CCc1ccc(O[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 2072709 YMVIAZZYQKTQEA-AWEZNQCLSA-N 352.689 4.486 0 40 FIAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 2376393 QOVNMUHVDCGDOR-UQBPGWFLSA-N 365.385 4.159 0 40 FIAB COc1ccc(-c2ccc(-c3noc(-c4ccccc4)n3)c(OC)n2)cc1 2441501 MMOPLUDAOXDRCY-UHFFFAOYSA-N 359.385 4.483 0 40 FIAB CCCn1nc(NC(=O)COc2ccccc2)c2cc3ccccc3nc21 2446649 RKMYNAJGUCAQMS-UHFFFAOYSA-N 360.417 4.012 0 40 FIAB O=C(CCc1ccccc1)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305144 RZTBKYKQRGWYHE-NRFANRHFSA-N 360.457 4.132 0 40 FIAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 4742003 CQOPTNDOAGGXEC-KRWDZBQOSA-N 353.809 4.152 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)NCc3nc4ccccc4n3C)ccc2c1 6664259 PRUSNCGFAFHJCT-HNNXBMFYSA-N 373.456 4.155 0 40 FIAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1Cc1ccco1 7113094 QVOXLUCHWSTCHJ-NRFANRHFSA-N 370.412 4.232 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2c1 7344070 UIXREUICILLTJN-UHFFFAOYSA-N 361.854 4.264 0 40 FIAB O=C(OCc1csc(-c2ccccc2Cl)n1)c1ccc(CO)cc1 7430037 RTCKKESRCKGUJP-UHFFFAOYSA-N 359.834 4.313 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)c(C)c1 7702065 ZQZUTIIKQFQSLR-IBGZPJMESA-N 357.500 4.433 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 7778995 SRJVIKQVYSUVRB-NPUYYSGSSA-N 369.383 4.051 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)cc1 7904889 MYLSBWXJQIUDCD-LBPRGKRZSA-N 357.479 4.253 0 40 FIAB CSc1ccc(C[C@H]2SC(=O)N(CCOc3ccccc3)C2=O)cc1 8169617 DWKGTTUXDGXCQJ-QGZVFWFLSA-N 373.499 4.094 0 40 FIAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc(F)c(F)c1 8863150 HETOAMDALXHPFY-GOSISDBHSA-N 364.461 4.373 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)CSc1ncnc2sccc12 8878576 URCILLAPZDJGQI-UHFFFAOYSA-N 369.924 4.157 0 40 FIAB CC[C@@H](Oc1ccccc1)c1nn2c(-c3ccc(OC)cc3)nnc2s1 9227255 HNWVRHJPOZLKFH-MRXNPFEDSA-N 366.446 4.392 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nncn1-c1ccccc1C)c1ccccc1 9322694 XGKBABCBBKFVOJ-INIZCTEOSA-N 366.490 4.109 0 40 FIAB CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2Oc2ccccc21 9827802 AUZHNAYFWFFOLK-UHFFFAOYSA-N 350.399 4.383 0 40 FIAB C[C@@H]1CN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCO1 9854192 LLMZVSFXKYIXAD-OAHLLOKOSA-N 361.526 4.167 0 40 FIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(F)c(Cl)c1 10490281 QPZGSTPSLWFVLM-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB CC(C)c1nnc(SCC(=O)c2ccc(F)cc2)n1Cc1ccco1 10929093 BSEMSBUXMLECAE-UHFFFAOYSA-N 359.426 4.157 0 40 FIAB Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2F)c2cnn(C(C)C)c2n1 10966026 XMUNEFSQPKMQHO-GFCCVEGCSA-N 358.392 4.090 0 40 FIAB O=C(C1CCCCC1)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 12291532 RKZKJGOZRZTSJS-QFIPXVFZSA-N 370.537 4.065 0 40 FIAB Cc1nc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cs1 12389844 NXGWDRSSHBGGKT-UHFFFAOYSA-N 350.487 4.332 0 40 FIAB CCN(c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1)C(C)C 12527229 OMFXLHYTWYKCQR-UHFFFAOYSA-N 365.477 4.300 0 40 FIAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 12627460 IQWZHHCPIPTTMY-UHFFFAOYSA-N 374.227 4.210 0 40 FIAB Cc1csc(SCCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)n1 12753180 SKGSNXNSVPOJKI-UHFFFAOYSA-N 362.520 4.188 0 40 FIAB Cc1c(C(=O)N2CCC[C@@](O)(c3ccc(F)cc3)CC2)[nH]c2ccccc12 12755508 UBALFIJMRFIUEC-QFIPXVFZSA-N 366.436 4.129 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCc2ccccc21 12885045 ZJPCEHOOVWOSEC-SJKOYZFVSA-N 360.251 4.020 0 40 FIAB O=C(Nc1ccc(C(=O)Nc2cccc3cn[nH]c23)cc1)c1ccccc1 12906521 JRIGGNZPKITSKB-UHFFFAOYSA-N 356.385 4.068 0 40 FIAB O=C(COCc1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 12923733 HVCUJPVEJKMXRU-UHFFFAOYSA-N 364.470 4.129 0 40 FIAB CC(C)[C@H](C)NC(=O)COc1ccc(Cl)cc1C(=O)Nc1ccccc1 13109494 ZNYKMKWDYPZGEJ-AWEZNQCLSA-N 374.868 4.132 0 40 FIAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2cccs2)cc1 13146870 JOVMGMZFXVTCIX-FBBABVLZSA-N 371.502 4.265 0 40 FIAB COc1cccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)c1 14111995 RPPNRKFVOUXKHT-UHFFFAOYSA-N 370.456 4.233 0 40 FIAB Cc1cc(C)c2sc(N(CC(C)C)C(=O)c3cnc(C)cn3)nc2c1 16000765 PSKIYRONUPBLDA-UHFFFAOYSA-N 354.479 4.314 0 40 FIAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(F)c(Cl)c1 16493447 ITEBSXTUCUOPGS-UHFFFAOYSA-N 359.788 4.491 0 40 FIAB C[C@@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)NC(C)(C)C 18515604 CHDVEEUMQSIOEQ-SECBINFHSA-N 370.931 4.330 0 40 FIAB O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccccc2-c2ccccc2F)N1 19713222 LMFHXPAZFSYQHM-LEWJYISDSA-N 352.453 4.126 0 40 FIAB O=C(COc1ccccc1Cl)Nc1cccc(-c2ccc(CO)o2)c1 20144571 JIDNPBGLSVZUHW-UHFFFAOYSA-N 357.793 4.110 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)CC1 20489280 JVZGCNSTICJMCL-UHFFFAOYSA-N 368.496 4.420 0 40 FIAB CC(=O)c1c(C)cc(C)c(CNc2cc(S(C)(=O)=O)ccc2C)c1C 22906456 YYAWTNNDFZTYIB-UHFFFAOYSA-N 359.491 4.138 0 40 FIAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)cc(Cl)c1 24042012 CSESSRMNZANMFJ-UHFFFAOYSA-N 367.623 4.480 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(F)ccc1F 24991855 YDQMRVZPLRDJKW-UHFFFAOYSA-N 358.369 4.276 0 40 FIAB CN(CC(=O)Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cn1 25777699 OQHSHXDJDBMBMJ-UHFFFAOYSA-N 359.351 4.329 0 40 FIAB Cc1c(NC(=O)C2CCCC2)cccc1C(=O)N1CCc2sccc2C1 26045650 IQIKUQXMYKRTDC-UHFFFAOYSA-N 368.502 4.384 0 40 FIAB C[C@H]1CCCN(C(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)C1 26959437 ZEWJDBVDVMWWGN-HNNXBMFYSA-N 370.880 4.393 0 40 FIAB COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)c1 27584378 UUCMRMORDACGQJ-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB biogenic O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)NC1CCCCC1 28234057 HYYPVQCRZLXDTL-UHFFFAOYSA-N 350.825 4.178 0 40 FIAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1ccccc1Cl 28540299 MUNWVQLPXPKIFC-UHFFFAOYSA-N 362.820 4.390 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)Nc1ccccc1SC(F)F 29472840 MAATVKKCAVGZRP-UHFFFAOYSA-N 370.446 4.212 0 40 FIAB Cc1cc(SCC(=O)NC(C2CC2)C2CC2)c(C)cc1Br 30800997 TXYLRCHLHYHWNT-UHFFFAOYSA-N 368.340 4.463 0 40 FIAB CC[C@@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccccc1 40086813 KJWPWGSLXAIULA-KRWDZBQOSA-N 373.456 4.258 0 40 FIAB COc1cccc(CO[C@@H](C)C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 40094063 YZNZJHNBFQZYGM-ZDUSSCGKSA-N 366.417 4.258 0 40 FIAB COC(=O)c1c(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)sc(C)c1C 40140502 GTENEBYLYCHYGI-MNOVXSKESA-N 363.401 4.459 0 40 FIAB Cc1ccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)cc1Cl 45889165 GVURKDBCMUSUBU-UHFFFAOYSA-N 360.870 4.413 0 40 FIAB Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2C)cc1NC(=O)c1ccccc1 47456597 IXHUXNYVWZURBS-KRWDZBQOSA-N 373.456 4.266 0 40 FIAB CN(Cc1ccco1)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 47585140 FPPSGRDVMQLJRB-UHFFFAOYSA-N 374.334 4.361 0 40 FIAB COc1ccc(OC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@@H](C)O3 57719092 FVTCVWLMULDGRY-OAHLLOKOSA-N 364.445 4.035 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC[C@@H]1CCCN(Cc2ccccc2)C1 62231302 IPECTTDKKGVPAH-QFIPXVFZSA-N 372.512 4.411 0 40 FIAB CCC(=O)[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C 64033474 KKGFLVSEDZXXOE-DFBJGRDBSA-N 368.410 4.392 0 40 FIAB O=C(c1cccc(OCc2cccs2)c1)N1CCCC[C@@H]1c1ncc[nH]1 70006182 WRJDJYOWIWHBLC-GOSISDBHSA-N 367.474 4.418 0 40 FIAB Cc1cccc(-c2cc(NC(=O)C3CCOCC3)n(-c3ccccc3)n2)c1 73171117 UDDPTTGWKQNRHH-UHFFFAOYSA-N 361.445 4.213 0 40 FIAB O=Cc1ccc2nc(-c3ccc(I)cc3)sc2c1 73740322 WDWWGJLKWVQVOZ-UHFFFAOYSA-N 365.195 4.380 0 40 FIAB COc1ccc(OC)c(NC(=O)N[C@@H](C2CCCCC2)C(F)(F)F)c1 75109150 DHRCKWHUMRREFV-HNNXBMFYSA-N 360.376 4.337 0 40 FIAB Cc1nc(C(=O)N(C)[C@@H](C)c2ccco2)nn1-c1ccccc1C(C)C 84280560 ODZYWYCFAIGQJV-AWEZNQCLSA-N 352.438 4.125 0 40 FIAB COc1ccc(Br)c(CO)c1OCc1ccccc1Cl 95095086 PODVMOHHTWGLJD-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB CCOc1cc2c(cc1CN1[C@@H]3CC[C@@H]1c1cccnc1C3)O[C@H](C)C2 100198452 WWLQWJFBPPDZEB-WIBUTAKZSA-N 350.462 4.066 0 40 FIAB Fc1ccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101147997 QYMKYMQIRSPYGD-CQSZACIVSA-N 362.195 4.175 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@@H]1C(=O)Nc2ccc(F)cc21 101621785 VRJSVPZIFFYKNG-OAHLLOKOSA-N 370.405 4.061 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3C)n2)c1 169890707 UZJHJXLKZDJZGX-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB CSC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccc(-c2ccccc2)c1 206765117 CSHRHBYPLZWJCR-DFNIBXOVSA-N 373.543 4.401 0 40 FIAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(N)c12 215683087 VWXSLWIMEVKKNH-RKDXNWHRSA-N 371.428 4.324 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c2ccccc12 222605055 NAEBWEUNBZTIQZ-GFCCVEGCSA-N 357.793 4.189 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222800673 RYFQJKKWJGDVAO-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB CC(C)Sc1nnc(NC(=O)COc2cccc3ccccc23)s1 223057418 KLYSLOGCLXGWMH-UHFFFAOYSA-N 359.476 4.209 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1 224817685 MATSPOLZQNHMAM-HNNXBMFYSA-N 364.917 4.306 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCCCC2)cc1 224969187 HIWZNTUHWJHNRP-LJQANCHMSA-N 368.477 4.482 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cc(Cl)ccc3C)c2c1 225755115 NVUMYCDPUJQUDH-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB CC(C)N1CC[C@H](CCc2ccc(NC(=O)[C@H]3CCCO3)cc2)[C@H](C)C1 247980925 HCJTYJZVXXRLGC-SLYNCCJLSA-N 358.526 4.103 0 40 FIAB CCn1c([C@H](C)NC(=O)[C@@H]2CCCCN2C2CCCC2)nc2ccccc21 333531622 YDXCDYLUPQSNRK-JXFKEZNVSA-N 368.525 4.031 0 40 FIAB O=C(NCc1ccnc(-c2ccncc2)c1)C1(c2cccs2)CCCC1 390827080 DURQEGVRGQPPRG-UHFFFAOYSA-N 363.486 4.333 0 40 FIAB O=C(CSc1nc(O)c2ccccc2n1)Nc1ccc(C(F)F)cc1 408542911 LOOMOYSJDZIAGN-UHFFFAOYSA-N 361.373 4.004 0 40 FIAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2F)cc1 408843144 QNJUFWPRZDVSJK-XSFVSMFZSA-N 373.387 4.064 0 40 FIAB COC(=O)c1ccc(Nc2nc(-c3cccs3)c(CC(=O)O)s2)cc1 408893713 GXSAWVJRPXGXOV-UHFFFAOYSA-N 374.443 4.029 0 40 FIAB CCc1ccc(-c2n[nH]c(SC[C@H](Cc3ccccc3)OC)n2)cc1 1559331154 FAAHEYPGCXDXHM-SFHVURJKSA-N 353.491 4.384 0 40 FIAB CC(=O)c1sc2nc(SCC(=O)c3ccc(C)cc3)nc(O)c2c1C 1615588760 HGGVINBDDQDOGR-UHFFFAOYSA-N 372.471 4.191 0 40 FIAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cc2ccc(C)cc2nc1Cl 644931 LOBDCTATYQZJON-QGZVFWFLSA-N 353.809 4.487 0 40 FIAB CN(c1ccccc1)[C@H](c1ccc(F)cc1)c1nnnn1C1CCCC1 883964 AKPJZWIVEBEZFM-LJQANCHMSA-N 351.429 4.153 0 40 FIAB Cc1noc(C)c1Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 1290737 GHJTVBYSRDFSEL-UHFFFAOYSA-N 371.849 4.432 0 40 FIAB COc1ccccc1[C@]1(CC(=O)NCc2ccco2)CCO[C@@H](C(C)C)C1 1294620 BODULCBBZLXDPD-IFMALSPDSA-N 371.477 4.068 0 40 FIAB biogenic Cc1ccccc1Cn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1321112 KZHKDILEIYBFKX-HNNXBMFYSA-N 367.518 4.361 0 40 FIAB Cc1cccc(Cn2nc(C)c(NC(=O)COc3ccc(F)cc3)c2C)c1 1429802 KAAZYNJKWMOLHR-UHFFFAOYSA-N 367.424 4.013 0 40 FIAB COc1ccc2o/c(=N\c3ccc(-c4ccccc4)cc3)c(C(N)=O)cc2c1 1515987 VIQUNLMURMYVJW-BZZOAKBMSA-N 370.408 4.440 0 40 FIAB O=C(Cc1nc2ccccc2s1)C(=O)Nc1cccc(C(F)(F)F)c1 1617127 GQAUMDQDRZXYCL-UHFFFAOYSA-N 364.348 4.065 0 40 FIAB CC[C@@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccccc1 2359123 DOJWRLZSVSWXSE-OAHLLOKOSA-N 350.418 4.395 0 40 FIAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc(F)c1 2468310 QUOZYWOPCYHCLA-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cn1 2642780 WITQDWBAKDCSTL-GFCCVEGCSA-N 354.793 4.072 0 40 FIAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccccc1Cl 3240310 ATRTWEVWXSZUQF-UHFFFAOYSA-N 374.849 4.064 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3)s2)c1 3347220 PGPGZRBCXZBQQN-UHFFFAOYSA-N 356.476 4.321 0 40 FIAB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCc2ccccc21 3350925 LBLYJJLCEZTEJC-KRWDZBQOSA-N 371.436 4.274 0 40 FIAB Cc1ccccc1NC(=O)Cc1nc(C)c(C(=O)Nc2ccccc2)s1 3354947 HRFAKFOTEPQHSJ-UHFFFAOYSA-N 365.458 4.193 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 3418348 VVRINVVDGLCQRC-GFCCVEGCSA-N 365.882 4.154 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4079035 RVAKCLUIZRAFAW-UHFFFAOYSA-N 363.801 4.259 0 40 FIAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCCC(C)C)c(C)c32)c1C 4089354 FMLLDIYYYOMGKT-UHFFFAOYSA-N 369.461 4.478 0 40 FIAB biogenic CC[C@@H](C)c1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 4966110 UJODXHLRXZOHCC-OAHLLOKOSA-N 366.509 4.462 0 40 FIAB CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1 5070135 XPSWXINCISYNDW-UHFFFAOYSA-N 370.865 4.355 0 40 FIAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccccc2)N1 5072050 ONUUEDLGZFNHKH-FQEVSTJZSA-N 366.424 4.485 0 40 FIAB O=C(Cn1cnc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 5198876 AAITXDXNVZGPHN-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)cc1C 5268307 GCYIPVPGYRACJG-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H]1CCCc2ccccc21 5442828 FTISZWIYXQEWHO-ACJLOTCBSA-N 374.278 4.410 0 40 FIAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2[nH]1 5492300 MTIPREBHTHFJDM-UHFFFAOYSA-N 353.765 4.228 0 40 FIAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c1 5662020 APRVIIBGFPCQGZ-NRFANRHFSA-N 372.424 4.031 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@]3(C)CCc1ccc(Cl)nc1 5720903 VZBOJJWNLWHOCP-FQEVSTJZSA-N 355.869 4.219 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 5749814 WUBHEFCOGJCPTR-UHFFFAOYSA-N 361.869 4.148 0 40 FIAB C[C@@H](NC(=O)COC(=O)Cc1cccs1)c1ccc(Cl)cc1Cl 5786829 FGBNNDNCUBQAPC-SNVBAGLBSA-N 372.273 4.018 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2F)c(Br)c1 6127358 UVVOGWOHVYSSRL-NSHDSACASA-N 352.203 4.303 0 40 FIAB COc1ccccc1CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 6182050 SMKOOTWKLRZMQN-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB Cc1ccc(OCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 6784321 XQUSMXACDIRMHY-UHFFFAOYSA-N 350.443 4.235 0 40 FIAB CC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)nc1C 6790636 LNFJKKYVNLJIJW-VIFPVBQESA-N 373.261 4.367 0 40 FIAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(F)cc4)n3)ccc2N1 7036828 VTLHOBNKEPSRNX-UHFFFAOYSA-N 367.405 4.086 0 40 FIAB O=C(O)/C(=C/c1ccc(O)cc1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603269 RGXAKIUCBPDKRH-ZROIWOOFSA-N 373.821 4.049 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)cc1 8160602 RPQIPMMUJHSDHT-LLVKDONJSA-N 350.871 4.063 0 40 FIAB O=C1CCc2cc(C(=O)COc3ccc(Cl)cc3Cl)ccc2N1 8448893 SXUKVAKAWCEBJM-UHFFFAOYSA-N 350.201 4.140 0 40 FIAB C[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1cc(F)ccc1F 9338033 PEQZGAYFXFWQSX-ZETCQYMHSA-N 368.796 4.009 0 40 FIAB CC[C@@H](c1ccccc1)c1nn2c(-c3ccc(OC)cc3)nnc2s1 9583270 HDUBKIUNKHZSAT-INIZCTEOSA-N 350.447 4.403 0 40 FIAB Cc1ccc(C)c(OC(=O)CCCn2cnc3c(C)cccc3c2=O)c1C 10412869 HUTHUSDAXFYJOA-UHFFFAOYSA-N 364.445 4.016 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 10473116 LCOYQDMWRSFWMU-AWEZNQCLSA-N 374.868 4.276 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc2ccccc2n1 11483097 FQPXHWKPKNSWSH-UHFFFAOYSA-N 374.362 4.244 0 40 FIAB CCCSc1nnc(NC(=O)c2cc(Br)cs2)s1 11690089 CPMVWIXJEDENTA-UHFFFAOYSA-N 364.315 4.117 0 40 FIAB c1ccc(-c2nc(SCc3nnnn3C3CC3)[nH]c2-c2ccccc2)cc1 12738400 LSRCNQOJEKILPZ-UHFFFAOYSA-N 374.473 4.357 0 40 FIAB Cc1ccc(-c2nc(C(=O)NC[C@H](c3ccccc3)N(C)C)cs2)cc1 12889057 AYEGMQUYZCLNCG-LJQANCHMSA-N 365.502 4.151 0 40 FIAB O=C(COc1cccc(Br)c1)N1CC=C(c2ccccc2)CC1 13011934 YCPCVSSUXXLUDJ-UHFFFAOYSA-N 372.262 4.144 0 40 FIAB O=C(Nc1cccc(Cl)c1)C1(S(=O)(=O)c2ccccc2)CCCC1 14085274 NUKHKHZLGUQNFZ-UHFFFAOYSA-N 363.866 4.065 0 40 FIAB COc1cccc(C2=N/C(=C\c3csc(-c4ccccc4)n3)C(=O)O2)c1 14252987 JWTQELDQFDQUFE-BOPFTXTBSA-N 362.410 4.163 0 40 FIAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)cc3)c12 14814410 USTKYCQHKUOQQB-UHFFFAOYSA-N 366.808 4.442 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3ccccc3Cl)cs2)cc1 15832508 HTAFQFQZCFCPEX-UHFFFAOYSA-N 372.877 4.467 0 40 FIAB COc1cc(C)c(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1OC 19567088 BPQORRJGCFANIP-QGZVFWFLSA-N 365.477 4.268 0 40 FIAB CC(C)c1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 21170594 CFVULFRPYYPYGH-OAQYLSRUSA-N 372.553 4.446 0 40 FIAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(Cl)cc3)cccc2n1 21595973 SAGBLYDMAJTEKM-UHFFFAOYSA-N 355.850 4.323 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(Cl)cc3)n2)c1C 21800651 SDMRFYBILQCOOQ-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB O=C1CCSc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2N1 22328691 DZURYSSFDNNKOZ-QGZVFWFLSA-N 352.459 4.098 0 40 FIAB Cc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1-c1ccc(Cl)cc1 22500048 PIRJCDOCBRKGEE-UHFFFAOYSA-N 369.852 4.332 0 40 FIAB O=C(CSc1ccccc1F)Nc1ccc(F)c(NC(=O)C2CC2)c1 23054514 ASGDOQXIJJZAHW-UHFFFAOYSA-N 362.401 4.044 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(NC(=O)C2CC2)c1 23528833 FQRLNKKXVXTQGK-UHFFFAOYSA-N 360.816 4.100 0 40 FIAB COc1ccc(C(=O)OCc2c(C)cc(C)c(C(C)=O)c2C)c(OC)c1 24964503 WKIRCONZZONRLW-UHFFFAOYSA-N 356.418 4.189 0 40 FIAB COC[C@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 27473122 LRNCNKMZXNNIIC-INIZCTEOSA-N 364.445 4.092 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3cccc(C)c3)cs2)cc1 27994984 TYALVXIYVQVNEF-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB biogenic CCn1nnc2cc(C(=O)NCc3cccc(Oc4ccccc4)c3)ccc21 31795957 HBJLOIBLWDFKCF-UHFFFAOYSA-N 372.428 4.174 0 40 FIAB COc1ccc(-c2cc(NC(=O)[C@H]3CCCO3)ccc2OC(F)F)cc1 32721336 TZOMHQQYMDJYCX-QGZVFWFLSA-N 363.360 4.081 0 40 FIAB Cc1nc(NC(=O)/C=C/c2cc(Br)ccc2F)sc1C 32983757 QIUIRDUIPSALED-ZZXKWVIFSA-N 355.232 4.313 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)Nc1cnn(Cc3ccccc3F)c1)n2C 35316892 WYNJPDPWMCUTNA-UHFFFAOYSA-N 362.408 4.123 0 40 FIAB COc1ccc(-c2nc(-c3nnc(Nc4ccccc4)s3)c(N)o2)cc1 35681785 WRPFGYDQRRFJIM-UHFFFAOYSA-N 365.418 4.195 0 40 FIAB O=C(CNc1ccc(OC(F)F)cc1)N1CCC[C@H]1c1cccs1 39978277 MCDVBMWSACOLGZ-AWEZNQCLSA-N 352.406 4.125 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 44515843 AQGKLFHMQJFRNE-ZBFHGGJFSA-N 356.853 4.197 0 40 FIAB O=C(c1occc1-c1ccccc1)N1CCC[C@@H](c2nnc3ccccn23)C1 48253167 QVPIHLKZVULZCN-QGZVFWFLSA-N 372.428 4.009 0 40 FIAB O=C(NC1CCN([C@@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 57986634 UJMYDXIXYMUQJD-OAQYLSRUSA-N 352.453 4.098 0 40 FIAB O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(Br)s1 60643565 MVXGGMAZLZFDNH-MRXNPFEDSA-N 373.275 4.425 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c(OC)cc1Cl 64982960 GWAWCMJMASJBCI-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Cl)cc1 66803468 KMMLSLFCMLTSFI-UHFFFAOYSA-N 352.825 4.187 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCc3ncccc32)cc1 72232931 UICQOUQMNUTUSP-UHFFFAOYSA-N 372.428 4.319 0 40 FIAB Cc1cc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)no1 79891049 QAGSIASNZGSORM-UHFFFAOYSA-N 365.408 4.327 0 40 FIAB C[C@@H](NC(=O)C1CCCC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 96296946 BZEZSXYASVXHRP-SNVBAGLBSA-N 362.813 4.061 0 40 FIAB biogenic,in-vitro O=C(N[C@@H](SCc1ccccc1)C(=O)c1cccs1)c1ccco1 96346697 LSWBDDNXODILKT-SFHVURJKSA-N 357.456 4.213 0 40 FIAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(S[C@@H]3CCc4ccccc4C3=O)nnc12 100477039 IIGBRGNTEUXQLW-VTJXTGGHSA-N 365.502 4.336 0 40 FIAB Cc1nc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)oc1C 107495680 HGTFNUHERUNCJK-IAGOWNOFSA-N 363.502 4.045 0 40 FIAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 114564777 ODQBLLLYCDMKCT-HNNXBMFYSA-N 366.387 4.425 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)NCCc1ccc(C(F)(F)F)cc1)n2C 141572269 AGDIOSAWTYXDJB-UHFFFAOYSA-N 360.379 4.478 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(OC)c1 214357249 APOOURYXFFVBNI-RQZCQDPDSA-N 373.405 4.079 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 219327094 QVZFEGHDZZUAKM-FQEVSTJZSA-N 359.441 4.131 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(C)c(C)c2)c2ccccc12 222626454 PONBSQPLRDVWFJ-HNNXBMFYSA-N 351.402 4.152 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccco2)ccc1Cl 222842351 ZOIGZJFRLOWILV-CYBMUJFWSA-N 353.871 4.058 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)CCCC2 224854074 AOAZZWXGSFMGNG-UHFFFAOYSA-N 362.517 4.481 0 40 FIAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 225144986 NWCAHYQDEQPWSY-HNNXBMFYSA-N 361.507 4.421 0 40 FIAB O=C(c1cc(Br)ccc1Cl)n1cc(CO)c2ccccc21 226366829 YXXUNLNGYHBLBU-UHFFFAOYSA-N 364.626 4.238 0 40 FIAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cncs4)[C@@H]3C[C@H]21 257226310 FKCOKYHSIRSBML-RWQQGDIJSA-N 356.491 4.035 0 40 FIAB O=C(NCCOc1ccccc1)N[C@H](c1ccsc1)c1cccs1 390827261 VPIPDWNJSIQMHV-QGZVFWFLSA-N 358.488 4.277 0 40 FIAB Cc1ccc(-c2nc(CCNC(=O)c3cccc(OC(F)F)c3)co2)cc1 522576530 QOKUUBKJNPSOIR-UHFFFAOYSA-N 372.371 4.224 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)cc1)c1cccc(CN2CCCCC2)c1 571290463 BBWLFFVIDGNRBQ-UHFFFAOYSA-N 360.461 4.111 0 40 FIAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)o1 605004645 QBFLXTLWADSULF-GOSISDBHSA-N 372.446 4.077 0 40 FIAB Cc1ccc(CC2CN(C(=O)N[C@H](C)c3nccn3-c3ccccc3)C2)cc1 664901890 LIELZQSMYHRGFL-GOSISDBHSA-N 374.488 4.126 0 40 FIAB CC(C)(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)c1ccccc1 666732652 KSBRJJUXUFMDLO-AWEZNQCLSA-N 352.356 4.323 0 40 FIAB O=C(c1ccc([C@H]2CCCOC2)cc1)N1CCCO[C@H](c2ccccc2)C1 679469558 PWWGMKBJLFBSLT-VXKWHMMOSA-N 365.473 4.184 0 40 FIAB Cc1cccc(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)c1 942550 INZVIQAGTBLTNS-UHFFFAOYSA-N 368.385 4.224 0 40 FIAB biogenic Nc1c(C(=O)NCc2ccco2)sc2nc(-c3ccc(F)cc3)ccc12 968841 KSBMXSFUMZKSBG-UHFFFAOYSA-N 367.405 4.208 0 40 FIAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2ccccc2F)s1 1342197 SFXLYEQFXDAQHA-UHFFFAOYSA-N 374.481 4.291 0 40 FIAB CCc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2F)c1=O 1354051 FXVRYHPCTMBLTP-UHFFFAOYSA-N 365.408 4.242 0 40 FIAB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 1514606 AJPLQISUMVCPEE-QGZVFWFLSA-N 362.857 4.234 0 40 FIAB CCOc1ccccc1C(=O)Nc1nn(CC)c2nc3ccccc3cc12 2394182 VFRHHKVSVKSHJL-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB CSc1ncccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 2639620 DNWVTLAEEZIASY-UHFFFAOYSA-N 363.414 4.458 0 40 FIAB Cc1cccc(C)c1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2722955 IRJNANYKUJUOOX-UHFFFAOYSA-N 363.442 4.087 0 40 FIAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 3392164 LLFVCCVYZSIOBF-OAHLLOKOSA-N 351.475 4.307 0 40 FIAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 4327172 CUFUDVXHXJSFGT-KRWDZBQOSA-N 373.478 4.114 0 40 FIAB COc1ccc(-n2nnnc2-c2c[nH]c3c(Cl)cc(Cl)cc23)cc1 4568172 ZRYFEUAULDGXIE-UHFFFAOYSA-N 360.204 4.126 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)c1nc(S[C@@H]3CCc4ccccc4C3=O)nnc12 5060058 IIGBRGNTEUXQLW-PDSXEYIOSA-N 365.502 4.336 0 40 FIAB O=S(=O)(NC1CCCCC1)c1ccc(Br)c2ccccc12 5234554 FIFCLQQYRVANMV-UHFFFAOYSA-N 368.296 4.213 0 40 FIAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@H](C)C(=O)O 5554512 WSRJTPDVTHDDLA-CYBMUJFWSA-N 352.386 4.264 0 40 FIAB CC(C)CNC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 5573538 DXUQWBAKTULEQV-UHFFFAOYSA-N 355.825 4.443 0 40 FIAB COC(=O)c1ccccc1NC(=O)CSc1ccc2ccccc2c1 5776156 SJTVXICMAZHMFQ-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB CCc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 6057509 CECPPMDEWIJGQH-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NC1CCCCC1 6128727 YVQJNPJWXYCMAC-AWEZNQCLSA-N 370.522 4.074 0 40 FIAB Cc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCC2 6207983 SBUDWIWXFOMWIS-UHFFFAOYSA-N 367.396 4.023 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 6234371 FHIHQUQXRZLDSA-UHFFFAOYSA-N 355.246 4.134 0 40 FIAB CN1/C(=C\C=N/N=c2/sc3ccccc3n2C)C(C)(C)c2ccccc21 6473640 VSPXPZXDDLJRPS-FFIOGWEDSA-N 362.502 4.438 0 40 FIAB O=C(CSCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 6528744 QXZIDXRTHMQDLU-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB CCOc1ccccc1[C@H]1CC(=O)NC(C)=C1C(=O)OC1CCCCCC1 6820076 AZDJXFPRUIACBS-GOSISDBHSA-N 371.477 4.229 0 40 FIAB COc1cc(C)c(N[C@H](C)C(=O)Nc2ccc(F)cc2Cl)cc1OC 7057735 COEXPQSTKUSRRD-LLVKDONJSA-N 366.820 4.244 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nncs2)c2ccccc2)c1 7194239 YJCFSDYQHINULI-MRXNPFEDSA-N 369.471 4.213 0 40 FIAB COCCNc1oc2c(c1-c1cccc(F)c1)c(=O)oc1ccccc12 7636145 JTJYDZYBNSZNKA-UHFFFAOYSA-N 353.349 4.404 0 40 FIAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3cccc(Cl)c3)o2)cc1 7891859 PSMBMPGFOGFTBE-NSHDSACASA-N 358.781 4.317 0 40 FIAB Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1CCc1ccc(Cl)cc1 8042226 FUVXEQKKLQIKKW-UHFFFAOYSA-N 373.909 4.152 0 40 FIAB Cc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)n1C1CC1 8071610 JRCLCNHYZGJJMG-UHFFFAOYSA-N 351.859 4.028 0 40 FIAB CSCc1nc2sc(C(=O)Nc3ccc(C)cc3C)c(C)c2c(=O)[nH]1 8231320 LTHFFPBVBCFUAH-UHFFFAOYSA-N 373.503 4.025 0 40 FIAB CCOCCCNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 8253172 YBTIJIUVRAILJI-UHFFFAOYSA-N 363.885 4.444 0 40 FIAB Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1 8475581 ANTQSKWSKYNBAJ-UHFFFAOYSA-N 366.848 4.420 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1 8496012 HXUHXYSVHDRKRO-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 8699184 CPNNNTHMABGFLD-HUUCEWRRSA-N 350.245 4.294 0 40 FIAB C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCCc1cccs1 8728576 WNPCJPOASVJAQL-GFCCVEGCSA-N 356.413 4.316 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1 9314786 DBGIUMOBGHGWFX-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1COc2ccc(Cl)cc2C1 10430477 YUWDJHQVVJLEEL-OAHLLOKOSA-N 356.853 4.130 0 40 FIAB CN(CCc1ccccn1)c1ncc(-c2ccsc2)c(-c2cccnc2)n1 12222426 DURKIKDNUBREFJ-UHFFFAOYSA-N 373.485 4.341 0 40 FIAB COc1ccc(OCCS[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc1 12876024 KKSKPOUYRUFANU-OAHLLOKOSA-N 371.502 4.323 0 40 FIAB O=C(/C=C/c1cnc2ccccc2n1)NCCc1ccc(C(F)(F)F)cc1 12876873 DPELSQMZGAHGOQ-MDZDMXLPSA-N 371.362 4.021 0 40 FIAB O=C(CSc1nncc2ccccc12)Nc1ccc(C(F)(F)F)cc1 12907893 QTIHEIXIIAVBER-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)c1 12938744 HCLQHILRBKBGNF-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB CCc1cccc2c(C(=O)C(=O)Nc3cc(C)c(OC)cc3C)c[nH]c12 13843010 GVGUCGVADVYFPY-UHFFFAOYSA-N 350.418 4.177 0 40 FIAB Cc1ccc(CN2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)cc1 13945733 RBNOCTQXKJWHAC-FQEVSTJZSA-N 370.924 4.219 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCC1 14022790 VFMANOPIUITVBF-HXUWFJFHSA-N 366.461 4.027 0 40 FIAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 14095520 IWIMZIGKLAAWAP-QGZVFWFLSA-N 365.452 4.340 0 40 FIAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCC(C)CC2)o1 15860324 OYCFWBBRTOSQHH-LJQANCHMSA-N 374.912 4.373 0 40 FIAB CC(C)c1ccccc1OCC(=O)Nc1nnc(-c2ccccc2)s1 18702910 WAMXCFJIWSGUAX-UHFFFAOYSA-N 353.447 4.346 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCn1ccnc1C(C)C 19718674 ZUUQDXDAKJFZJQ-UHFFFAOYSA-N 370.884 4.337 0 40 FIAB Cc1cc(NC(=O)COc2cccc(C)c2C)ccc1-c1ccc(CO)o1 20144022 XOPZXHZSSBVQIU-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1C 20611986 KNSGMOAPZVFSED-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB Cc1cc2ncc(C(=O)Nc3ccccc3Oc3ccccc3)c(C)n2n1 22690552 YOIMILLQBGHCEH-UHFFFAOYSA-N 358.401 4.391 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(C(F)(F)F)cc1 24689986 OBGLXSWVRWFXBU-UHFFFAOYSA-N 351.324 4.048 0 40 FIAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCC[C@@H]1Cc1ccccc1 25169208 DWHLPIPKUOSEBI-HXUWFJFHSA-N 353.487 4.011 0 40 FIAB Cc1ccc(CN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C2CC2)cc1 25292784 JHHBKFRKVZJDRQ-CQSZACIVSA-N 366.486 4.233 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1 27748021 GYDYCOAHQNSLBM-FQEVSTJZSA-N 372.896 4.306 0 40 FIAB biogenic CC[C@H](NC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C)c1ccc(C)cc1 28236691 RDBRUBDNMDIPKP-ZFWWWQNUSA-N 353.388 4.347 0 40 FIAB O=C(NCc1csc(-c2ccccc2)n1)c1ccn(C2CCCC2)n1 28242477 CLCFVWJQSICYGV-UHFFFAOYSA-N 352.463 4.052 0 40 FIAB COc1ccc(NC(=O)COc2c(C)cc(C)cc2C)cc1OC(F)F 29197525 GCLATQLBLVHYPN-UHFFFAOYSA-N 365.376 4.239 0 40 FIAB Cc1[nH]c(SCc2nc(-c3ccco3)no2)nc1Cc1ccccc1 30005838 DVPLWGLRIATUJX-UHFFFAOYSA-N 352.419 4.244 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1F 32586423 ZAZTWJUAUWEXDS-UHFFFAOYSA-N 357.406 4.302 0 40 FIAB CC(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)O 32634051 VUBPPBPHRBMLDU-UHFFFAOYSA-N 352.386 4.264 0 40 FIAB biogenic CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(C)c1)O[C@@H](C)C2 32870492 WOAYPRORUBQHCX-LSDHHAIUSA-N 354.450 4.156 0 40 FIAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2)no1)CC3 32913689 KZMRNTXLGHIAAW-UHFFFAOYSA-N 357.413 4.330 0 40 FIAB Cc1ccccc1SCC(=O)Nc1ccc(Oc2cnccn2)cc1 32930790 HLBHKPGOTKGPBM-UHFFFAOYSA-N 351.431 4.308 0 40 FIAB CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 33010771 GJQPXPBYRDGEOO-UHFFFAOYSA-N 364.468 4.214 0 40 FIAB COc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 35310804 XQBGYRXWGCVURQ-AWEZNQCLSA-N 366.490 4.148 0 40 FIAB CC(C)COCCCNC(=O)Nc1ccc(OC(F)F)c(Cl)c1 40024045 YNNYSBDMRFWYDR-UHFFFAOYSA-N 350.793 4.126 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCCc2nc3ccccc3s2)C1 40118854 UOMLMFBWHHTDPJ-CALCHBBNSA-N 373.566 4.103 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 44017565 XAZGRUJZRZGISG-INIZCTEOSA-N 367.493 4.358 0 40 FIAB CC(=O)N1CCc2cc(C(=O)N[C@H](c3cccs3)C(C)(C)C)ccc21 44520583 MOHAFQCLUUTDSM-GOSISDBHSA-N 356.491 4.174 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(CN2CCCC2)c1 46375811 KSVOAGSJPVKKBU-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB O=C(C[C@@H]1C=CCC1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 48364082 JYCADVDFQQSAKY-OAHLLOKOSA-N 351.402 4.289 0 40 FIAB CCc1nc(CNCc2ccnc(Oc3ccc(OC)cc3)c2)cs1 58246592 UBAROLPNKSEFHU-UHFFFAOYSA-N 355.463 4.191 0 40 FIAB Cc1nc(C2(NCC(=O)Nc3c(C)cccc3C(C)C)CCCCC2)no1 58282238 OAQAOEZZIXAJAK-UHFFFAOYSA-N 370.497 4.198 0 40 FIAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)CCO2)c1cccc(OC(F)F)c1 60442008 ZWOJYDTXNDFKEF-STMXVASLSA-N 359.372 4.114 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccc(C)s2)c1 71819682 MNEWWYYVERYNKW-ZIAGYGMSSA-N 359.495 4.479 0 40 FIAB COc1ccc(CN2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2)cc1 72376772 MQHWPEWUECQJTB-NRFANRHFSA-N 374.488 4.462 0 40 FIAB CC(=O)N1C[C@H](C)CN(Cc2ccc(F)c3cccnc23)c2ccccc21 76093285 FCQNOTQDQYXCCC-OAHLLOKOSA-N 363.436 4.383 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)N(CCCO)[C@H]1CCCc2ccccc21 85580149 DQNGKOVCXPKNDU-NRFANRHFSA-N 363.461 4.462 0 40 FIAB CC(C)c1c(C(=O)Nc2ccc3c(c2)COC3)cnn1-c1ccc(F)cc1 92048745 WRTJJVKYWYBSPG-UHFFFAOYSA-N 365.408 4.417 0 40 FIAB CC(C)n1c(CCCCCNC(=O)c2cccnc2)nc2ccccc21 96232760 FDYGPOZMJVFYNT-UHFFFAOYSA-N 350.466 4.155 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1cccc(Cl)c1 96583602 YXLQIWDZJMZVED-OQLLNIDSSA-N 372.833 4.015 0 40 FIAB COc1cccc(C2=C[C@@H](c3cccc(Cl)c3Cl)n3nnnc3N2)c1 101108051 JZRZOCPULSMUIV-HNNXBMFYSA-N 374.231 4.045 0 40 FIAB CC(C)c1nc2c(n1C)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2 112666156 KDIVRFRLCURSSX-UHFFFAOYSA-N 352.265 4.049 0 40 FIAB O=C(COc1cccc2ccccc12)NCCCN1CCCc2ccccc21 218916891 NKUWAPAROGKQDO-UHFFFAOYSA-N 374.484 4.178 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 219514829 OPRGKJWCICIAKZ-APWZRJJASA-N 353.462 4.489 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1Cl 224163950 JBIDYXWHOWOZPO-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225012648 MVOZJMCLBIYVGG-UXHICEINSA-N 368.550 4.435 0 40 FIAB COC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1Cl 225641972 UKRNQDVBXOGKNX-SHYRYGCCSA-N 369.889 4.288 0 40 FIAB CCOC(C)(C)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225648826 DNFTVRULWDWCDQ-UHFFFAOYSA-N 357.878 4.288 0 40 FIAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)Nc1ccccc1Cl 240002267 PQUKWPGMFGNGEI-KRWDZBQOSA-N 362.838 4.052 0 40 FIAB Cc1ncsc1CN1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 257255910 KJJRRXWVGNGBPM-CIWUYKSXSA-N 370.518 4.343 0 40 FIAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257288516 PULJOYWHXSPTOL-QGZVFWFLSA-N 369.396 4.068 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(C)cc4)c3)C(=O)[C@H]2C1 408682722 LJCJXRWCARHQQE-PMACEKPBSA-N 374.440 4.093 0 40 FIAB CCOc1cc2c(cc1/C=C1/SC(=O)N(c3ccccc3)C1=O)OCO2 408966495 OTVAPNYGTCFDMU-RQZCQDPDSA-N 369.398 4.055 0 40 FIAB CCOc1ccc(F)c(NC(=O)N2CC(C)(C)[C@H]2c2ccncc2)c1F 562861395 SPQBZJPKQHXEKE-QGZVFWFLSA-N 361.392 4.374 0 40 FIAB CC[C@H](C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1 575611445 VHFRALLPEAUGIK-IRXDYDNUSA-N 355.459 4.352 0 40 FIAB CN(C)[C@H](CNC(=O)/C=C/c1cccs1)c1csc2ccccc12 575621555 POGUPFCIZBMNCZ-OAGJVSPASA-N 356.516 4.395 0 40 FIAB CC[C@@H](OC1CCCCC1)c1nc(CC(=O)Nc2ccc(C)cc2)no1 585083990 MVUAYNGLEIBEGT-QGZVFWFLSA-N 357.454 4.360 0 40 FIAB Nc1nc2n(n1)[C@@H](c1cccs1)C[C@H](c1ccc(Cl)cc1Cl)N2 803163 YKXHMELMOMONEH-VXGBXAGGSA-N 366.277 4.375 0 40 FIAB CCOc1ccc(N2C[C@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)cc1 969363 OSFANWOQVTYLOO-QGZVFWFLSA-N 366.461 4.002 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 2395546 RDOQPAPJTRQMHG-JTQLQIEISA-N 353.419 4.087 0 40 FIAB C[C@H]1CCCCN1C(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 3648891 DCHGXGVIYMCDCT-KRWDZBQOSA-N 360.457 4.273 0 40 FIAB Cc1ccccc1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 4696182 RYWJGTXIQYWFPR-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB CCc1ccc(NC(=O)c2sc3nc(C)cc(COC)c3c2N)cc1 4708780 MGLLLIOGCHFCCH-UHFFFAOYSA-N 355.463 4.148 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5186683 KRBMZSYRIJAAMS-PZSZKOGDSA-N 374.521 4.201 0 40 FIAB CCOc1ccc(CC(=O)Nc2ccc(N3CCCCC3=O)c(C)c2)cc1 5441354 DTPIXUWSKWMHOV-UHFFFAOYSA-N 366.461 4.092 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(N)=O)C1 5469905 LBKPEDRCLBQKHX-LBPRGKRZSA-N 363.527 4.206 0 40 FIAB Cc1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)c(C)c1 5937316 HYOMKBGNJNFZII-SFHVURJKSA-N 364.474 4.409 0 40 FIAB aggregator Cc1ccc2cccc(OCC(=O)Nc3ccccc3Br)c2n1 6865778 ZSAFUVNAOHLQHP-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB O=C(CSCCOCCSCC(=O)c1ccccc1)c1ccccc1 6884840 NIGXLMMWKJYFTR-UHFFFAOYSA-N 374.527 4.235 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](Sc1ncccn1)c1ccccc1 6910936 JKZRLESPOLUECN-GOSISDBHSA-N 365.458 4.347 0 40 FIAB COc1cc(C)c(N[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 7057853 FMNUUHWPPPCVIB-AWEZNQCLSA-N 352.434 4.485 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1OCC 7360488 YSOCEFGFJOOFTQ-UHFFFAOYSA-N 367.492 4.007 0 40 FIAB Cc1ccc2oc(C(=O)OCc3ccc(Br)cc3)cc(=O)c2c1 7622693 HOEVHTUDACJDGN-UHFFFAOYSA-N 373.202 4.221 0 40 FIAB C[C@H]1Cc2ccccc2N1Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 7674281 BQAVCRQEBZNYEX-LBPRGKRZSA-N 363.442 4.196 0 40 FIAB COc1ccc(Cl)cc1NCC(=O)Nc1ccccc1Br 7972097 LBRLNNUDWWCALO-UHFFFAOYSA-N 369.646 4.162 0 40 FIAB O=C(c1ccncc1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 8428190 OTTAQWKTASYUFI-QPJJXVBHSA-N 372.424 4.213 0 40 FIAB O=c1[nH]c(-c2ccc3c(c2)OCO3)nc2sc3c(c12)CCCCCC3 8553470 SXEUNTDNLQOMRS-UHFFFAOYSA-N 354.431 4.039 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nnc(C(C)C)n1C1CC1 8754950 YOLCPONZUIUBCU-CYBMUJFWSA-N 374.510 4.173 0 40 FIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 8917105 ZBUHPZKOEKZFHQ-LJQANCHMSA-N 363.413 4.065 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc1 8938997 RLNWRXGCUGNBRM-NSHDSACASA-N 352.203 4.303 0 40 FIAB Cc1ccccc1-n1c(SCCc2ccncc2)nnc1-c1ccncc1 9113898 NMMXXRLJHYLLSI-UHFFFAOYSA-N 373.485 4.368 0 40 FIAB O=C(CS(=O)(=O)c1ccccc1)c1ccc([C@H]2CC2(Cl)Cl)cc1 9614863 STLLSCLUBHZGGU-OAHLLOKOSA-N 369.269 4.004 0 40 FIAB Cc1nc2c(C)cccn2c(=O)c1NC(=O)c1ccc(-c2ccccc2)cc1 9617550 RXTFTBRHYYPTSJ-UHFFFAOYSA-N 369.424 4.231 0 40 FIAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)o1 9943466 VWPTXXIOWSNZLA-AWEZNQCLSA-N 365.458 4.197 0 40 FIAB Cc1[nH]c(S[C@H](C)C(=O)NCC2CCCCC2)nc1Cc1ccccc1 9946688 QVZPNJDEGJNWEK-MRXNPFEDSA-N 371.550 4.486 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c1C 9954898 OCWZITZIZRCZJP-UHFFFAOYSA-N 354.328 4.028 0 40 FIAB Cc1cc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c2c(C)noc2n1 10884834 SOKJAXVNDMMUSA-UHFFFAOYSA-N 374.444 4.341 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2sc(-c3ccccn3)nc2C)cc1 10978706 ZDGBAHVBTPYEIP-ZDUSSCGKSA-N 367.474 4.403 0 40 FIAB CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1 11613460 DHJLMZYFLLAPFM-UHFFFAOYSA-N 368.408 4.299 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12783997 QKDGQRRQHKJWNW-UHFFFAOYSA-N 366.465 4.462 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2sc3nc(C)nc(C)c3c2C)cc1F 12892315 OGPRRZFSQYRCTP-SNVBAGLBSA-N 373.453 4.255 0 40 FIAB COc1ccc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 13626683 HGOKBMCHOYYXMM-UHFFFAOYSA-N 366.295 4.223 0 40 FIAB COc1ccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 14257991 JVANEJQWMHIVEH-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(C(=O)C2CC2)CC1 14663927 NXANSVIZAIQKBA-UHFFFAOYSA-N 362.901 4.052 0 40 FIAB COc1ccc(-c2ccnc(S[C@@H](C(=O)O)c3ccccc3)n2)cc1 16217443 WSTJJSCVVNPTBN-QGZVFWFLSA-N 352.415 4.070 0 40 FIAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2)cs1 17075267 MWWNNLOZKYEYNY-UHFFFAOYSA-N 366.471 4.417 0 40 FIAB CCOc1ccc(N2CCn3c(SCc4ccccc4F)nnc32)cc1 17307802 BOKYWHPNJXSFPX-UHFFFAOYSA-N 370.453 4.260 0 40 FIAB CC(C)c1csc(NC(=O)c2cc(COc3ccccc3F)on2)n1 19714676 MWOIUUOJIPPTEM-UHFFFAOYSA-N 361.398 4.225 0 40 FIAB Cc1ccc(OCCn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1 19900376 ZYPWHFZLTVDJPQ-UHFFFAOYSA-N 357.457 4.358 0 40 FIAB CC(C)c1ccc(-c2noc(CCC(=O)N(C)Cc3ccccc3)n2)cc1 23735231 YJIRPSCGFYEBIH-UHFFFAOYSA-N 363.461 4.451 0 40 FIAB CN(Cc1ccccc1N1CCCCC1)C(=O)Cc1noc2ccccc12 24391927 HOVIULQLSJDQSE-UHFFFAOYSA-N 363.461 4.019 0 40 FIAB CN(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1 24586423 VSLDUTBYZMJCDV-UHFFFAOYSA-N 357.413 4.190 0 40 FIAB C(=C/c1ccccc1)\CSc1nnc([C@H]2COc3ccccc3O2)o1 26436493 LRFINJSEEIIQEW-RCMYXZNBSA-N 352.415 4.388 0 40 FIAB CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30940193 PDHKINVXKXBHCT-SFHVURJKSA-N 370.468 4.464 0 40 FIAB O=C(c1n[nH]c2ccccc12)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 31317820 QGNUFIFYROSSDR-UHFFFAOYSA-N 359.351 4.387 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Cc1noc(/C=C/c2ccccc2)n1 35316298 JPTPIFDSSFZBKC-JXMROGBWSA-N 369.808 4.083 0 40 FIAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1C 36635873 NIVRWDZPVCJPAO-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3c3ccc[nH]3)c(=O)oc2c1 40088258 VQJWEUBJVBMRPZ-LJQANCHMSA-N 364.445 4.034 0 40 FIAB C[C@H](OCc1ccccc1)C(=O)NCc1ccnc(Oc2ccccc2)c1 40107792 MZIPXYKLCMNCPS-KRWDZBQOSA-N 362.429 4.095 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872888 KPSMVVNAOAAVQA-JOCHJYFZSA-N 366.505 4.065 0 40 FIAB CC(=O)N[C@@H](CC(=O)N1CCCc2cc(C)ccc21)c1ccc(Cl)cc1 58171670 KSXLGVRAQVVZEO-IBGZPJMESA-N 370.880 4.195 0 40 FIAB CNc1ccc(Cl)c(CN(C)Cc2cc(Br)cs2)n1 61638392 IHQJBWMLDCKHIQ-UHFFFAOYSA-N 360.708 4.233 0 40 FIAB in-vitro C[C@@H](OC(=O)c1ccc2nc(N)sc2c1)c1ccc(OC(F)F)cc1 63640571 YHKZIBXVAIDGKE-SECBINFHSA-N 364.373 4.398 0 40 FIAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1 68430721 VBVBFDSOZMJIDE-VYKZEFQOSA-N 368.433 4.028 0 40 FIAB Cc1c(C(=O)NCC2(c3ccc(F)cc3)CC2)oc2c1C(=O)CC(C)(C)C2 71930278 DILSTWBYLWMORL-UHFFFAOYSA-N 369.436 4.344 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1Oc1ccccc1 72212183 TWLLCNUIMHCYOY-UHFFFAOYSA-N 356.422 4.362 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccn(CC(F)(F)F)n1 96003876 GBMAIWCPXAKUIB-LBPRGKRZSA-N 354.376 4.008 0 40 FIAB CC(=O)N1CCC[C@@]2(CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 96157128 YIXNCMZQTCSWOJ-KRWDZBQOSA-N 374.834 4.193 0 40 FIAB CC(C)(C)c1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 97077247 HTXNUXBSPDHYAO-OAHLLOKOSA-N 358.829 4.156 0 40 FIAB C[C@H]1CCN(C(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2S1 104006999 RXFLDNDUBDSTDE-LUKYLMHMSA-N 373.518 4.273 0 40 FIAB CC[C@@H](C(=O)NC[C@](C)(O)c1cc2ccccc2s1)c1ccccc1 217501426 XVEWJSQUMUFRDZ-UTKZUKDTSA-N 353.487 4.419 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219070059 YHMLDGBZJJYTNF-AEFFLSMTSA-N 353.462 4.489 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(C)cc2C)c2ccccc12 222626607 HZWPGJWWYWFEBX-HNNXBMFYSA-N 351.402 4.152 0 40 FIAB O=C(NCCCc1cccc2ccccc12)c1cccc(N2CCCC2=O)c1 222666268 DFVQKEVWPSANTC-UHFFFAOYSA-N 372.468 4.329 0 40 FIAB COc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1Cl 223414365 NIPGJTWZWYBHQL-UHFFFAOYSA-N 357.888 4.201 0 40 FIAB COc1cccc(OCc2cc(C(=O)NC3CCCCC3)ccc2OC)c1 224249857 VQGRNOWIIMFRDV-UHFFFAOYSA-N 369.461 4.345 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NCCSCc1ccccc1F 225305548 KKABRRISRFELSC-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225624988 XWSPHCSWGOGDMI-SFHVURJKSA-N 357.878 4.289 0 40 FIAB CCN(C(=O)C(F)(F)F)c1cccc(-c2cc3ccccc3oc2=O)c1 226285188 WDTFCIZOZUOIOM-UHFFFAOYSA-N 361.319 4.375 0 40 FIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN(C)Cc1ccc(Cl)cc1Cl 245284196 QMUCHQGAHUOBNQ-IIYDPXPESA-N 357.325 4.366 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1 257296383 RCORKHQPTCYODW-IBGZPJMESA-N 373.456 4.221 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775976930 FCOQMAYWYTWBFR-DNVCBOLYSA-N 367.470 4.032 0 40 FIAB COc1ccc(-n2ncc3c(Nc4ccc(Cl)cc4)ncnc32)cc1 756715 STDFKGNXIFLJHW-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB COc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCC2)c1 1370083 HZRCWJHNAMTTQK-OALUTQOASA-N 373.566 4.310 0 40 FIAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccccc1 2452290 RJRQTTROFMYOBS-UHFFFAOYSA-N 367.474 4.160 0 40 FIAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC1CCCCCC1 2621263 SVWNMRWUDFIPQZ-UHFFFAOYSA-N 370.522 4.076 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2ccc(Cl)cc2)n1 2786967 HFEPFSSKVIYRGW-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1cccc(F)c1 3300165 UPCBBRHXXFFSFJ-OUKQBFOZSA-N 369.436 4.209 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1c(Cl)cccc1Cl 3311417 KJSTUEHMGXDWTO-FNORWQNLSA-N 351.185 4.479 0 40 FIAB Cc1ccc(-c2csc3nc(CN4C[C@@H](C)C[C@@H](C)C4)[nH]c(=O)c23)cc1 3350334 KBDRHUZZQHFZJX-GASCZTMLSA-N 367.518 4.438 0 40 FIAB Cc1nn(-c2ccc(C(=O)NCc3ccccc3F)cc2)c(C)c1Cl 3422917 ZFKJJJOTDDXABR-UHFFFAOYSA-N 357.816 4.212 0 40 FIAB Cc1ccc(NC(=O)CN(C)Cc2ccc(Br)cc2)cc1C 3585201 CRWRYQCTCXNSEI-UHFFFAOYSA-N 361.283 4.136 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc(Cl)c1 4120627 UXRFPDKHSWEIGL-AWEZNQCLSA-N 374.893 4.239 0 40 FIAB COc1cccc(CNCc2cccnc2)c1OCc1ccccc1F 4168194 VINUKRKTJACTLK-UHFFFAOYSA-N 352.409 4.098 0 40 FIAB CC(C)Cn1c(SCC(=O)N(C)Cc2ccccc2)nc2ccccc21 4264665 IYHINHDQBNSXPT-UHFFFAOYSA-N 367.518 4.443 0 40 FIAB O=c1[nH]c2c(cc1C1=NN(c3ccccc3)[C@@H](c3ccco3)C1)CCCC2 4625067 AMIZAQUXJAXNFK-HXUWFJFHSA-N 359.429 4.202 0 40 FIAB CCc1nnc(NC(=O)CSc2nc3c(C)cccc3cc2CC)s1 4849295 IFXBITVRMBNYJE-UHFFFAOYSA-N 372.519 4.250 0 40 FIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)OCc3ccccc3)cc21 5136423 MTMXFXZLIJYHTQ-UHFFFAOYSA-N 352.434 4.371 0 40 FIAB CCCN(CCC)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147220 GXDCPFBLAVEXOC-UHFFFAOYSA-N 359.470 4.393 0 40 FIAB CC1(C)C(=O)CC[C@@]2(C)[C@@H](OC(=O)c3ccc(C(=O)O)cc3)CCC[C@@H]12 5369677 HLCQFDVUPLXRDK-HZUJVAHNSA-N 358.434 4.106 0 40 FIAB CCc1nnc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)s1 5674543 QTRAOHFGZFYQSR-UHFFFAOYSA-N 364.430 4.469 0 40 FIAB COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)c(OC)c1 5728286 KZOHPTRCKYNKPM-UHFFFAOYSA-N 370.474 4.328 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3F)n2)cc1 5867238 DCOKEEHAGQPTQD-GFCCVEGCSA-N 356.426 4.039 0 40 FIAB CCSc1nnc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)s1 6232381 ZJDBGZXRAHAPNO-VOTSOKGWSA-N 359.398 4.321 0 40 FIAB Cc1ccc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 6430741 CRXDWBIORFDGPA-HNNXBMFYSA-N 355.459 4.069 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C1=O 6655248 YHKSUYHSHISWME-UKTHLTGXSA-N 355.843 4.194 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2O)CC1 6831211 DEDWHAXYOVEVPI-UHFFFAOYSA-N 366.248 4.053 0 40 FIAB Cc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)o1 7603328 SCZLKTUZXBUQJL-JYRVWZFOSA-N 361.810 4.244 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1C 7609398 DNDBGIRXQYNLJP-UHFFFAOYSA-N 352.463 4.004 0 40 FIAB O=C1CCCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789518 QJCUANCVVFGDHF-KRWDZBQOSA-N 352.463 4.365 0 40 FIAB COc1ccc(Cc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393175 ZILOLOKULWXKCI-UHFFFAOYSA-N 368.487 4.078 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCc1ccc(CN2CCCC2)cc1 8429976 CAEDMWGFYQDEKG-UHFFFAOYSA-N 374.484 4.131 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1ccccn1)C3=O 8664931 POGHILMBWCRDES-HXUWFJFHSA-N 368.392 4.246 0 40 FIAB COc1ccc(/C=C/c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 9328489 MBJANDZRQRYWRG-DHZHZOJOSA-N 351.431 4.278 0 40 FIAB COc1ccc(CN(C)C(=O)CSc2ccc(C)c(C)c2)c(OC)c1 9512547 ZKQJLJCVEKTSIW-UHFFFAOYSA-N 359.491 4.071 0 40 FIAB Cc1ccccc1CCNC(=O)NCc1ccc(CN2CCCCC2)cc1 9867351 YDJSLMQEWQHJAG-UHFFFAOYSA-N 365.521 4.023 0 40 FIAB Cc1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C)c1 10299200 QLZPISSDGPESEN-UHFFFAOYSA-N 364.489 4.113 0 40 FIAB CCOCCCNc1ncc(-c2ccsc2)c(-c2nc(C)cs2)n1 12253019 PBWGWCCFOKUEOY-UHFFFAOYSA-N 360.508 4.476 0 40 FIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1N1CCCC1=O 12789772 XKMXKMPUBBOKEF-INIZCTEOSA-N 366.461 4.344 0 40 FIAB Cc1ccc(-c2nc(CSc3nnc(C(C)C)n3C3CC3)no2)cc1 12812060 MGJHXKOXFZDFRH-UHFFFAOYSA-N 355.467 4.387 0 40 FIAB CCCn1nc(C(=O)Nc2ccccc2Oc2cccc(C)c2)ccc1=O 12898766 HZMJPYMABHXEKE-UHFFFAOYSA-N 363.417 4.006 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 13013444 MCSMCDDPUJPCMH-INIZCTEOSA-N 356.491 4.110 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 13708942 QAASLCDGVICNES-AWEZNQCLSA-N 351.402 4.263 0 40 FIAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc3ccccc23)CC1 14014759 JSLDQFYUGMGBLO-UHFFFAOYSA-N 372.468 4.008 0 40 FIAB CCN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CNC2(CCCCC2)C1 19704031 RZHCAIXUCGKIRC-GOSISDBHSA-N 353.510 4.014 0 40 FIAB CC[C@H](C)NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 20427633 PPPZZTJVCRJORQ-LBPRGKRZSA-N 355.434 4.312 0 40 FIAB COc1ccc(C)cc1/C=C/C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 21556839 MZMMSHXNCSTBGW-RDELFYGPSA-N 372.896 4.089 0 40 FIAB CCCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3ccccc3nc21 21596649 FEZUNLBSLJHYTM-UHFFFAOYSA-N 374.444 4.320 0 40 FIAB COc1ccccc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22237762 PZNRAMDXYVKPMH-UHFFFAOYSA-N 353.447 4.480 0 40 FIAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 22518496 OQFABMQSKVXBRZ-OAHLLOKOSA-N 361.869 4.391 0 40 FIAB COc1cc(/C=C/C(=O)N(C)C2C3CC4CC(C3)CC2C4)cc(OC)c1 23185082 QYLCGYXMEJYNOB-SNAWJCMRSA-N 355.478 4.000 0 40 FIAB O=C(COc1cccc2ccccc12)NCCSCc1ccccc1F 24045769 WLIMTIVMGPZIPW-UHFFFAOYSA-N 369.461 4.407 0 40 FIAB CCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 27741237 QCVXQFZRGUKSOG-GOSISDBHSA-N 372.534 4.494 0 40 FIAB Cc1nn(CCC(=O)Oc2ccc3ccccc3c2)c(C)c1Br 28051430 FXFCCRBGODZCNE-UHFFFAOYSA-N 373.250 4.411 0 40 FIAB CCn1ncc(Br)c1C(=O)Nc1cccc(Cl)c1Cl 28223754 KEYHKQVMQKUDMI-UHFFFAOYSA-N 363.042 4.225 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1F 32817299 AGGGESBUOQTFIR-UHFFFAOYSA-N 361.438 4.103 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(C)c1)O[C@H](C)C2 32870487 WOAYPRORUBQHCX-CABCVRRESA-N 354.450 4.156 0 40 FIAB CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@@H]1c1ccccc1 34524566 VKLNFUJWXOUCAJ-LJQANCHMSA-N 366.486 4.457 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38834296 LTVHZMCCZHWTKY-QGZVFWFLSA-N 356.441 4.075 0 40 FIAB O=C(CCC1CCCC1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 39992639 RJJHIPUZMCSVRX-UHFFFAOYSA-N 369.431 4.110 0 40 FIAB O=C(c1ccc(Cl)cc1F)N(Cc1cccs1)C[C@@H]1CCCO1 39995600 DOTFWEKSHUNXNJ-ZDUSSCGKSA-N 353.846 4.362 0 40 FIAB CCC[C@@H](C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 40050280 CPNLOTIITZAOHQ-HXUWFJFHSA-N 350.462 4.445 0 40 FIAB CCCCNC(=O)Nc1cc(Br)ccc1Br 40104721 CABFRMKSEVUBKP-UHFFFAOYSA-N 350.054 4.133 0 40 FIAB Cc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccco3)cn2c1 40159143 TZVBZTZVAFVRGZ-UHFFFAOYSA-N 365.462 4.045 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(C)c1C 44900818 ONYJUIDMJSDYAR-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@H]2CCc3ccccc32)c1 45718974 JSQCMLWBYRZKMO-XOBRGWDASA-N 351.450 4.035 0 40 FIAB CC(C)CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078748 KMQJKOAANSGKHW-UHFFFAOYSA-N 370.880 4.319 0 40 FIAB CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1C1CC1 48324165 ZSPGFBHNONTQDT-UHFFFAOYSA-N 361.496 4.012 0 40 FIAB COc1ccc(NC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1 55104291 TUGAWJVUICYFMN-UHFFFAOYSA-N 357.460 4.111 0 40 FIAB O=C(CSCc1ccccc1)N1CCC[C@H](COCc2ccccc2)C1 56922559 DCNIZDKUEZPEOC-NRFANRHFSA-N 369.530 4.375 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 57413156 WMSHRBUMZSETKG-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CCOc1ccccc1CNC(=O)c1cc(-c2ccccc2Cl)[nH]n1 57413491 HGLHYDIKHBLVLC-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB Cc1c([C@H](C)NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)oc2ccccc12 58159836 NBJDJHUVNQKGSZ-ZOBUZTSGSA-N 357.498 4.222 0 40 FIAB CCSc1ccc(NC(=O)N2CC=C(c3ccc(O)cc3)CC2)cn1 58437547 RMWZUMDBGBDAIV-UHFFFAOYSA-N 355.463 4.220 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 68785102 BILZAZJUQUEDHX-KRWDZBQOSA-N 357.841 4.352 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2OC(C)C)cc1 72211998 JYDYVOITVXVHOS-IBGZPJMESA-N 374.506 4.093 0 40 FIAB Cn1c(C(=O)Nc2nc(-c3ccncc3)cs2)cc2cc(F)ccc21 72404308 CZOXEPMOBQFXJR-UHFFFAOYSA-N 352.394 4.088 0 40 FIAB Nc1nc(-c2ccc(OCc3cccc(Cl)c3)c(C(=O)O)c2)cs1 85397514 VUGKVKPZHWMPIE-UHFFFAOYSA-N 360.822 4.323 0 40 FIAB COC(=O)c1ccc(C2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 85473025 VHSXVJVOPJJQGU-UHFFFAOYSA-N 363.866 4.208 0 40 FIAB O=C(c1csc(-c2ccccn2)n1)N1CCC[C@H]1Cc1cccc(F)c1 89883981 CEEZZEGQNZEIKP-INIZCTEOSA-N 367.449 4.192 0 40 FIAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2cccc3[nH]ccc23)CC1 101407525 ZDNWIBWSLUREHK-GASCZTMLSA-N 371.481 4.438 0 40 FIAB CCOP(=O)(Cc1csc(NC(=O)OC(C)(C)C)n1)OCC 115308064 KMMKHTREJPFRMW-UHFFFAOYSA-N 350.377 4.256 0 40 FIAB in-vitro CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1C 219068183 KBYCPCJCWKRRSG-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2CC)cc1 219294426 LLQOXSRPMDTPON-KRWDZBQOSA-N 355.478 4.164 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1C 219309374 FGGNVJCRVNGZOC-AEFFLSMTSA-N 353.462 4.489 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219330452 JJVFNVAVQNRHFF-NQIIRXRSSA-N 355.478 4.353 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 222796241 RXXSLDXYNNFOMT-RTBURBONSA-N 366.465 4.004 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)COc1ccc(OC)cc1 222993916 GZUXXVCPDKCLTB-DYESRHJHSA-N 371.477 4.053 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C(F)(F)F)c1 223158063 XWJHKWOKWAPELS-ZDUSSCGKSA-N 351.368 4.352 0 40 FIAB Cc1nc(NC(=S)NCc2ccc(Cl)cc2)ccc1Br 223928681 PAVYKJMHWHYZCD-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C 223931960 QHSWEHKCAVXAEH-UHFFFAOYSA-N 368.477 4.119 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1 224016080 RVTPVRGPKDKGCU-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(=O)O)cc3)CCCCC2)cc1 225542033 ONIXBTVVKSBUMM-UHFFFAOYSA-N 367.445 4.299 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225693166 XBFHFBZINLYXPF-OAQYLSRUSA-N 364.530 4.331 0 40 FIAB C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)CC[C@H]1C(C)(C)C(=O)O 252516889 XOOCXRSGLCQNKY-UGKJUXRFSA-N 362.466 4.084 0 40 FIAB biogenic,in-vitro Cc1cccnc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257276250 NSZMGNLSAAVHJJ-IBGZPJMESA-N 361.445 4.336 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)c1cc2cccc(OC)c2o1 408701704 DFAHGZGCVZPEJD-UHFFFAOYSA-N 366.417 4.224 0 40 FIAB O=C(COc1ccc(C(=S)N2CCCC2)cc1Cl)Nc1ccccc1 409237784 JLDJISZJZFVPRA-UHFFFAOYSA-N 374.893 4.129 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccc(F)c(F)c1 575611306 UPCXTHKQNSPNQG-SFHVURJKSA-N 359.397 4.157 0 40 FIAB CC(C)C1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 608655972 NYOSOEQTUIFHAN-INIZCTEOSA-N 363.933 4.244 0 40 FIAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccccc1C 722908 AMANPFXFXDLQBV-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2Cl)CC1 785856 HZMVZJAKGVSLTF-UHFFFAOYSA-N 356.897 4.211 0 40 FIAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccccc1Cl 1262450 GZOZQVZVABEUDR-UHFFFAOYSA-N 365.842 4.216 0 40 FIAB c1ccc(N2CCN(c3ncc(Cn4ccc5ccccc54)s3)CC2)cc1 1396198 SZZIPUPIADJBQZ-UHFFFAOYSA-N 374.513 4.473 0 40 FIAB COc1ccccc1Oc1nc(-c2ccccc2)cc(C)c1S(C)(=O)=O 1403482 SWZODCNDDZTFCQ-UHFFFAOYSA-N 369.442 4.261 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)N3CCCC[C@H]3C)s2)cc1 2623263 NXHZGUSTMIDRSW-CYBMUJFWSA-N 362.524 4.083 0 40 FIAB CN(C)c1nc(Oc2cccc(C(F)(F)F)c2)cc(C(F)(F)F)n1 3469936 OZCWQYIBKQBFNS-UHFFFAOYSA-N 351.250 4.373 0 40 FIAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 3515536 DUNDKOAGOJMBRK-MRXNPFEDSA-N 365.351 4.381 0 40 FIAB COc1ccc2nc(SCC(=O)N(c3ccccc3)C(C)C)[nH]c2c1 4484701 AEJMPDUQTYGDHJ-UHFFFAOYSA-N 355.463 4.105 0 40 FIAB CC(C)c1ccc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 4518074 XKWOSKKZIHBAAE-UHFFFAOYSA-N 374.487 4.076 0 40 FIAB Cn1c(-c2ccccc2)c(C(=O)C(=O)NCc2ccccc2)c2ccccc21 4622682 LCFICARNKDYOKP-UHFFFAOYSA-N 368.436 4.344 0 40 FIAB O=C(O)C[C@H](NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1 4689329 YWWULYYWWBKCME-IBGZPJMESA-N 368.433 4.346 0 40 FIAB CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1nccn12 4864559 ZGYOHKNIYBCXKR-UHFFFAOYSA-N 351.793 4.380 0 40 FIAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 5228492 REXFWMANWYNMPV-HDGQQAJQSA-N 370.445 4.040 0 40 FIAB COc1cc2[nH]c(C(=O)Nc3cccc(Cl)c3)cc2c(OC)c1OC 5347618 DJHRYOHNYGOKOJ-UHFFFAOYSA-N 360.797 4.099 0 40 FIAB CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)OC)c(C)c2oc1=O 5548090 WEHRLTYEQAOXLC-OAHLLOKOSA-N 360.450 4.473 0 40 FIAB Cc1ccc(CNC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)cc1 6638955 MZUIZDXQCMOMBW-UHFFFAOYSA-N 351.277 4.050 0 40 FIAB Nc1cccc2c(Nc3ncnc4c3cnn4Cc3ccccc3)cccc12 6660330 YOOFCSTYCOYKQQ-UHFFFAOYSA-N 366.428 4.354 0 40 FIAB C=C1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1Cl)OCO3 6661216 CYDZJHGSNOUNHY-UHFFFAOYSA-N 362.212 4.391 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(Br)cc1Cl 6838273 FQVPJCMOOYRBSE-MFKMUULPSA-N 360.679 4.176 0 40 FIAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1 6939350 ICAGTMMIQVQMAE-ZDUSSCGKSA-N 372.490 4.344 0 40 FIAB Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C(=O)O)cc2)cc1 6966140 OAUTYTQRQXMFKF-LGMDPLHJSA-N 371.396 4.030 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)OCc1cc(-c2ccco2)on1 7097388 GYHSFWNUBHPQPK-UHFFFAOYSA-N 368.172 4.364 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(C)c1 7928108 RKQWIRQMYZYXAI-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CCOc1cc(CN[C@@H](CC)CO)ccc1OCc1ccc(Cl)cc1 8326356 HJRYDMAFUMZQJL-SFHVURJKSA-N 363.885 4.178 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N(C)c3ccccc3)n2)cc1 8484101 HTINTYHFNWTBAP-AWEZNQCLSA-N 366.490 4.178 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CCCC1 8988382 GYZLGGYVRDYXKZ-UHFFFAOYSA-N 361.445 4.022 0 40 FIAB O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@@H]1CCc2ccccc21 9112813 JPYGQEWXQOKSID-GOSISDBHSA-N 352.434 4.295 0 40 FIAB Cc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 10733096 UDNJMUXHXSCKMV-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB COc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(C)n1 11613250 HOUYPPURFFUZHU-UHFFFAOYSA-N 370.359 4.068 0 40 FIAB O=C1Nc2ccccc2NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 12377391 RQNUEBUHNMYSIQ-JQBYJRRVSA-N 366.420 4.101 0 40 FIAB C[C@@H](Sc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc(N(C)C)cc1 12535560 RDFXQPWATXCLKE-CQSZACIVSA-N 366.490 4.262 0 40 FIAB Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)c2cccs2)cc1 12538791 NVWAFDMPTUNHOH-UHFFFAOYSA-N 367.455 4.249 0 40 FIAB COc1cccc(NC(=O)[C@@H](C)Nc2ccc(N3CCC(C)CC3)cc2)c1 12601595 OCTGDZBTCHAUJB-QGZVFWFLSA-N 367.493 4.371 0 40 FIAB Cc1c(C(=O)N(CCC(N)=O)c2ccc(F)cc2)oc2ccc(Cl)cc12 12777603 QZBJYTBMVPSRSJ-UHFFFAOYSA-N 374.799 4.056 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3ncsc3c2)cc1OC 12940622 IOTWYHXHPNNJLR-INIZCTEOSA-N 368.458 4.291 0 40 FIAB C[C@@H]1CCc2sc(C(=O)NCCc3cccc4cccnc34)cc2C1 12974885 LPLQBBRPGHJXNR-CQSZACIVSA-N 350.487 4.394 0 40 FIAB Cc1cccc(-c2nc3c4c(C)c(C)n(Cc5ccco5)c4ncn3n2)c1 15842209 BMOIUTUJKBSTGW-UHFFFAOYSA-N 357.417 4.313 0 40 FIAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 16129659 HNSGXFQMPPYKBN-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)c2nn3c(=O)c4ccccc4nc3s2)c1 17072920 BMMMYQFLTGLASW-ZDUSSCGKSA-N 351.431 4.061 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 17073535 CPVAUVXVNODHPE-WAYYCVMKSA-N 355.743 4.060 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)N1CCN(c2ccccc2Cl)CC1 17116034 ZVUNNAYTWHAHSR-QGZVFWFLSA-N 371.912 4.193 0 40 FIAB COc1ccccc1OCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 18075639 VQRWKMXCIWMBKE-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB CCOc1cccc(CNC(=O)CCc2ccc(OCC)c(OCC)c2)c1 20106077 HVSYVUABMPFQLJ-UHFFFAOYSA-N 371.477 4.132 0 40 FIAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 20632635 DTOQDEJQLQQHEU-GFCCVEGCSA-N 372.881 4.193 0 40 FIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)Nc3ccc(F)cc3)cc21 22502665 PMSJOTOEHFJCRH-UHFFFAOYSA-N 355.413 4.405 0 40 FIAB COc1ccccc1NC(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 22767056 JTSMELITQJHGIO-SFHVURJKSA-N 373.522 4.496 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 24181948 FQBWPNJHFQFFTP-LJQANCHMSA-N 366.505 4.065 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 24705306 CEKQDNWVMXLGDG-CQSZACIVSA-N 358.869 4.440 0 40 FIAB COc1ccc(C[C@@H](NC(=O)C[C@@H]2C=CCC2)c2ccc(OC)cc2)cc1 25919524 UUKOIUFNSMGDEZ-VGOFRKELSA-N 365.473 4.460 0 40 FIAB O=C(Nc1ccc(OC[C@H](O)c2ccccc2F)cc1)c1cccs1 27213799 PCPPJFUVLAVFMT-KRWDZBQOSA-N 357.406 4.252 0 40 FIAB CCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCC2)c1 27662141 VVHNVGPCXIBMLI-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB O=C1CN(C(=O)C2CCCC2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28047920 PFJURTWSSZBWBD-HXUWFJFHSA-N 368.864 4.400 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CCn1nc(C)c(Br)c1C 28229590 VOYSYPCQALXQPK-UHFFFAOYSA-N 370.678 4.253 0 40 FIAB CC[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)Nc1cc(C)on1 28368022 WIFQBAIBQVTOBB-HNNXBMFYSA-N 371.437 4.244 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)N3CCC[C@H]3c3cccs3)c(C)n2n1 29797237 IXDXNTUGXFBXBH-KRWDZBQOSA-N 368.506 4.012 0 40 FIAB O=C(Nc1ccc(SC2CCCC2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 30183479 GIIWNBIKYKXLNK-OAHLLOKOSA-N 372.534 4.451 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 30853567 LGJTYDXBFDRAMT-CQSZACIVSA-N 374.481 4.226 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c(OC)c1 36358326 ATMBKTDJBGHWLE-AWEZNQCLSA-N 367.380 4.152 0 40 FIAB Cc1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(F)c(Cl)c2)cc1F 38654653 BCZWOMQJZGCQLA-UHFFFAOYSA-N 363.755 4.041 0 40 FIAB CCN(C(=S)Nc1ccc(NC(C)=O)cc1)[C@@H](C)c1cccc(O)c1 44198620 FVKHCVVLZYVMJY-ZDUSSCGKSA-N 357.479 4.131 0 40 FIAB Clc1ccc(-c2csc(Cc3nc(-c4ccncc4)no3)n2)cc1 49006143 BJJNUXLKGUVDLK-UHFFFAOYSA-N 354.822 4.499 0 40 FIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CN[C@H](C)c1ccccc1 57322909 CESVJSFVEKBZJB-CYBMUJFWSA-N 372.490 4.092 0 40 FIAB O=C(CN1CCc2sccc2C1)N[C@H](c1ccccc1)c1cccs1 57381124 QRDOBFSVRILIGP-HXUWFJFHSA-N 368.527 4.074 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)C1 57761939 DLVCWVSJJCRBNK-OKILXGFUSA-N 351.429 4.155 0 40 FIAB Cc1ccc(CCCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 57996091 VZRKBGKGFHOBOC-UHFFFAOYSA-N 350.506 4.230 0 40 FIAB Cc1ccc2c(CN3CCC[C@H]3CN(C)c3ccccc3)cc(=O)oc2c1 58156867 QSICZGJWEAZIIK-FQEVSTJZSA-N 362.473 4.202 0 40 FIAB CCCCCC[C@H](C)NC(=O)CS(=O)(=O)[C@H](C)c1ccccc1Cl 58196385 AWQCUMKBSRJORF-LSDHHAIUSA-N 373.946 4.291 0 40 FIAB CCN1C[C@@H](CN(C)Cc2cc(Cl)nc(Cl)c2)Oc2ccccc21 58421202 BVYAHNZTHPNKMW-CQSZACIVSA-N 366.292 4.108 0 40 FIAB CCOc1ccccc1-n1nnnc1S[C@H](C)c1ccc(F)cc1F 59927800 VHASXGBCYGZWSY-LLVKDONJSA-N 362.405 4.193 0 40 FIAB CCn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2ccccc21 64960883 ZAHOXNISBRKPPB-UHFFFAOYSA-N 351.793 4.392 0 40 FIAB CNc1nc2c(s1)[C@H](c1ccc(OC)c(OCC(C)C)c1)CC(O)=N2 71285633 CGGYYCUPLYGNLM-LBPRGKRZSA-N 361.467 4.352 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C=O)cn1 72215173 WKRDSQUDQOVTFE-WBVHZDCISA-N 361.486 4.305 0 40 FIAB CCC(CC)[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)OC 72300926 OAQNTHJRPALPAR-AWEZNQCLSA-N 353.871 4.262 0 40 FIAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72349145 KDCOFHALEWBGBG-IBGZPJMESA-N 373.456 4.172 0 40 FIAB COc1ccc(Oc2cncc([C@H]3CCCN3Cc3ccccn3)n2)cc1 72383650 YFGOXWSAJOTXIK-HXUWFJFHSA-N 362.433 4.010 0 40 FIAB Cc1ccc([C@H]2CSCCN2C(=O)CSc2ccc(F)cc2)o1 76067478 DBXFAQRRENVSSH-OAHLLOKOSA-N 351.468 4.136 0 40 FIAB O=C1COc2ccc(Br)cc2CN1c1cc(F)ccc1Cl 77100660 UDWCQJYIRCAVIE-UHFFFAOYSA-N 370.605 4.167 0 40 FIAB C[C@@](O)(CNc1ncnc2scc(-c3ccccc3)c12)c1ccco1 78376805 ACHWANMYNGDLCO-LJQANCHMSA-N 351.431 4.271 0 40 FIAB Cc1c(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)oc2c1C(=O)CCC2 81793090 CUOOBAFONOSIKA-HNNXBMFYSA-N 352.434 4.204 0 40 FIAB CC(C)c1cc(C(=O)NCCc2c[nH]c3ccccc23)n(-c2ccccc2)n1 85431210 ISLJIYIAJYHIIY-UHFFFAOYSA-N 372.472 4.450 0 40 FIAB O=[S@](Cc1cc(-c2ccccc2)on1)Cc1cc(-c2ccccc2)no1 95349431 MBJOEWYCZFUCIR-SANMLTNESA-N 364.426 4.446 0 40 FIAB Fc1ccc(F)c(C2=NO[C@@H](c3nc(-c4ccc(F)c(F)c4)no3)C2)c1 95959378 NIJGFHWOGRXJFO-OAHLLOKOSA-N 363.270 4.159 0 40 FIAB COc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1 95983686 GFHBNQLGUCNSRK-UTKZUKDTSA-N 368.477 4.372 0 40 FIAB COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3ccccc3Cl)C2)c1 96012482 NCBCIVLGBKYMOA-IBGZPJMESA-N 358.825 4.055 0 40 FIAB CCCn1cnc(-c2nc(C(=O)Nc3cc(C)ccc3C)c3ccccn23)c1 96155134 RSFMXCIHYGPDIR-UHFFFAOYSA-N 373.460 4.477 0 40 FIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1C=C[C@H]2CC1 100174687 CPVAUVXVNODHPE-WBRVRECLSA-N 355.743 4.060 0 40 FIAB Cc1ccc(N2C(=O)C[C@H]([C@H]3CCCC=C3N3CCCCC3)C2=O)cc1 101120739 PHLHBPIOWMXUBQ-RTBURBONSA-N 352.478 4.044 0 40 FIAB COc1cccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 102578864 JBHVJUIGZUBKLG-IERDGZPVSA-N 372.428 4.352 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(N2CCOCC2)cc1 109416088 FHUZKOXPJHLTHB-UHFFFAOYSA-N 358.441 4.027 0 40 FIAB c1cc(OCc2ccc3nccn3c2)cc(-c2[nH]ncc2-c2ccncc2)c1 212315234 YLDQINRBVJGXGR-UHFFFAOYSA-N 367.412 4.365 0 40 FIAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1ccccc1F 223080820 ZKTJYDAUFZMCDP-UHFFFAOYSA-N 373.815 4.120 0 40 FIAB COc1ccc(-c2ncc(C(=O)NC3CCCCCCC3)c(C)n2)cc1 223146270 ZIPZVDLKYFFCNL-UHFFFAOYSA-N 353.466 4.303 0 40 FIAB O=C(NCCOc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 224336120 ARENCLHYWBGSTB-UHFFFAOYSA-N 372.468 4.058 0 40 FIAB COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 224410306 LSLQGGZNYHOOHJ-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C)cc1C 224468447 RCWYSEYLMONPFA-IBGZPJMESA-N 355.478 4.273 0 40 FIAB O=C(COc1cccc(Cl)c1)NCc1cccc(CN2CCCCC2)c1 224696167 IPCHSUSSHDHXOM-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB Nc1ccc(Nc2cccc(Br)c2)c(C(=O)N2CCCC2)c1 225471453 TURTUCIBEQJCCG-UHFFFAOYSA-N 360.255 4.011 0 40 FIAB COc1ccc(NC(=S)NCCOc2ccc(C)cc2)cc1Cl 225562014 CKGSVVOAACUJEU-UHFFFAOYSA-N 350.871 4.022 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 225628636 IVSFVAMWSQPDMF-UHFFFAOYSA-N 350.462 4.348 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2c1 225755477 GLTWQMBDERPMJA-UHFFFAOYSA-N 374.362 4.276 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cccc(-c2ccc(C(=O)O)o2)c1 226350877 NOAFBSURAFUTCN-UHFFFAOYSA-N 360.435 4.038 0 40 FIAB Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)nc1 238821610 CTXYNCUYPFRLPK-ZDUSSCGKSA-N 366.248 4.382 0 40 FIAB Cc1nn(CCNC(=O)/C=C/c2cccs2)c(C)c1-c1ccccc1 253474690 JHSOMEWQLZIMSS-ZHACJKMWSA-N 351.475 4.058 0 40 FIAB Cc1cc(N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)ncn1 257243775 IIMSZHWCMLDYEQ-KRWDZBQOSA-N 354.841 4.359 0 40 FIAB Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408662167 MSMAAIQZHRMGQJ-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB COc1ccc(CCCC(=O)N[C@H]2NC(c3ccccc3)=CS2)c(C)c1 408916752 YZRFOSYKNXPUSJ-OAQYLSRUSA-N 368.502 4.061 0 40 FIAB O=C1N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)N1c1cccc2cccnc12 552774332 IADLBRMVZTZASR-MJGOQNOKSA-N 371.440 4.170 0 40 FIAB CC1(C)CN(C(=O)c2nn(-c3ccc(F)cc3)cc2O)[C@H]1c1cccs1 574189300 MUEUBHMPBXTBIC-KRWDZBQOSA-N 371.437 4.002 0 40 FIAB O=C(c1ccccc1Br)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149128 ZMWUFWOWTGNDAT-OAHLLOKOSA-N 372.262 4.014 0 40 FIAB CC(C)n1ncc2cc(NC(=O)N[C@H]3C[C@H](c4ccc(F)cc4)C3)cnc21 644985242 VOGQHRUFXHFEKQ-CZIWCDLHSA-N 367.428 4.219 0 40 FIAB CC1(C)[C@@H](CNC(=O)c2ccccc2-c2ccccc2C(=O)O)C1(F)F 659223956 YMCFPCHVGQUXBE-MRXNPFEDSA-N 359.372 4.073 0 40 FIAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccco3)C2)cc1 714263 NFKYJMVBHWIFAG-LJQANCHMSA-N 366.442 4.128 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 875857 AQBKKIJDBGDJKV-UHFFFAOYSA-N 354.431 4.240 0 40 FIAB c1ccc(-c2nc(CSc3nnnn3-c3ccccc3)cs2)cc1 944197 QURCXWCAAQQZCK-UHFFFAOYSA-N 351.460 4.078 0 40 FIAB O=C(NCc1ccncc1)c1ccc(COc2cccc3ccccc23)o1 1083436 QIIPUWAVOOVILW-UHFFFAOYSA-N 358.397 4.337 0 40 FIAB Cc1ccc(C)c(/C=C2/N=C(c3ccccc3Br)OC2=O)c1 1193439 PGWSMSYXZAYGSQ-MHWRWJLKSA-N 356.219 4.410 0 40 FIAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)Cc1ccccc1 1329990 LTYFHYMBOMMVQY-UHFFFAOYSA-N 350.443 4.490 0 40 FIAB Cn1nc(C(F)(F)F)c(COC(=O)c2cccc(Cl)c2)c1Cl 1389418 YICBUKWCXYRDEH-UHFFFAOYSA-N 353.127 4.103 0 40 FIAB N#CC(C(=O)COc1ccc(Cl)cc1Cl)=C1Nc2ccccc2N1 1937810 RDFIOCCBMBYKCQ-UHFFFAOYSA-N 360.200 4.214 0 40 FIAB Cc1ccc(CNC(=O)COc2ccc(OCc3ccccc3)cc2)cc1 2632303 KCGWECHLNLHEJO-UHFFFAOYSA-N 361.441 4.269 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1Cl 2644041 UKUCLABUUFTTMU-UHFFFAOYSA-N 353.853 4.132 0 40 FIAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(Br)cc1C 2696952 LZDHMQZZHFWFNA-ZDUSSCGKSA-N 360.317 4.019 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1ccn(COc2ccc(Cl)cc2)n1 2787052 SITFTRRQZOJPBJ-UHFFFAOYSA-N 362.216 4.479 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3250965 ANYIPBNQLNFYGN-UHFFFAOYSA-N 360.413 4.153 0 40 FIAB CCOc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)cc1OC 3417699 HJNCLACXNCZPMB-OAHLLOKOSA-N 356.418 4.139 0 40 FIAB CCc1cc2ccc(OC)cc2nc1SCC(=O)NCc1ccccc1 4849378 CDCQVIFPPRSVRT-UHFFFAOYSA-N 366.486 4.214 0 40 FIAB CCOc1cc([C@H]2C3=C(COC3=O)Nc3ccc4ccccc4c32)ccc1O 4930131 LFFMQZLQYKIVRX-HXUWFJFHSA-N 373.408 4.312 0 40 FIAB C[C@H](CO)Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3 5046942 PFXIAXZFHKORFS-GFCCVEGCSA-N 371.531 4.265 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cccc(Cl)c1 5373842 LJYDPTIIBSLCTR-UHFFFAOYSA-N 354.837 4.282 0 40 FIAB Cc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2O[C@H](C)C(=O)O)cc1 5557075 QYIIYLRDUQDSFB-CQSZACIVSA-N 352.386 4.237 0 40 FIAB CCN(CC)CCC[C@@H](C)NC(=S)Nc1ccc(OC(F)F)cc1 5689563 YALRSUWNXQHUIK-CYBMUJFWSA-N 359.486 4.085 0 40 FIAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccoc1C 6254734 OTNFNGHSOYPHQI-UHFFFAOYSA-N 359.378 4.495 0 40 FIAB Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2)nn1-c1ccccc1Cl 6551329 UINSVPSGKWZNSD-UHFFFAOYSA-N 374.227 4.100 0 40 FIAB CCc1ccc(NC(=S)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 6583907 HCIMHTLXSIFYIL-HNNXBMFYSA-N 350.491 4.482 0 40 FIAB CC(C)c1n[nH]c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1 6598903 WEKBYJQOMGEUQT-UHFFFAOYSA-N 352.463 4.326 0 40 FIAB Cc1cc(=O)oc2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc12 6627358 AGBCJGSTQCZXII-UHFFFAOYSA-N 363.291 4.252 0 40 FIAB CCCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3F)cc2)C1=O 6879238 PKXZEVATUHVFQS-SFHVURJKSA-N 373.449 4.421 0 40 FIAB COc1ccccc1/C=C/C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 6886917 DAKRZDWDQTXWFN-PKNBQFBNSA-N 364.397 4.175 0 40 FIAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc2ccccc2c1 7211906 OUJGYYZSSNPDSU-INIZCTEOSA-N 373.456 4.040 0 40 FIAB Cc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 7400948 YSJLYAQWEVFPBS-UHFFFAOYSA-N 374.912 4.310 0 40 FIAB COc1cc(C(=O)N(C)Cc2ccc(Br)s2)ccc1C 7435182 SSXXPWANZVYNNV-UHFFFAOYSA-N 354.269 4.100 0 40 FIAB CC(=O)c1c(F)cccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 7780091 YTONBACXCUPJFY-UHFFFAOYSA-N 366.358 4.374 0 40 FIAB CCOc1c(Cl)cc(/C=C/C(=O)NOCc2ccccc2)cc1OC 8096963 QDXJEOAUMPIZRF-MDZDMXLPSA-N 361.825 4.009 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2csc3ccccc23)c1C 8718825 YBQSMVFJRCDNIA-UHFFFAOYSA-N 352.459 4.229 0 40 FIAB CN(C(=O)c1cccc(F)c1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 8791274 XMYAPUVUQPXMNU-UHFFFAOYSA-N 371.481 4.422 0 40 FIAB COc1ccccc1NCC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 9221038 VTJBQLQXESCMBB-NRFANRHFSA-N 366.486 4.383 0 40 FIAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl 10763021 MCYOWXFBINWIPY-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB C[C@@H]1CN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)CCO1 11282395 JOGIARLRIQXUGE-OAHLLOKOSA-N 366.436 4.154 0 40 FIAB CC(C)Oc1ccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1 11613438 UNSPQHSLTOMEIJ-UHFFFAOYSA-N 354.381 4.198 0 40 FIAB Cc1ccc(CN(Cc2c[nH]nc2-c2cccs2)C[C@H]2CCCO2)o1 12147089 HRRMRSAYQDZDOI-MRXNPFEDSA-N 357.479 4.221 0 40 FIAB CSc1cccc(-n2nnc(C(=O)OCc3cc(C)ccc3C)c2C)c1 12416123 LDBDOGPQULVXAU-UHFFFAOYSA-N 367.474 4.271 0 40 FIAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1c(F)cccc1Cl 12543486 OGPIZUMTPNRGHE-UHFFFAOYSA-N 369.223 4.221 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 12547376 FAYYLBSIFUNVTQ-SFHVURJKSA-N 374.271 4.175 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(Cl)ccc1O 12572060 JYUUWIGJZNVFNX-MRRJBJDNSA-N 368.857 4.206 0 40 FIAB FC(F)n1c(CSc2nnnn2C2CCCCC2)nc2ccccc21 12629889 MZDLKTHMLSUMDS-UHFFFAOYSA-N 364.425 4.215 0 40 FIAB O=C(COc1ccccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 14171573 XZXOVYAZMFOPKR-AWEZNQCLSA-N 370.449 4.220 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 14197832 OYPPFGPMJPTUII-NRFANRHFSA-N 366.505 4.013 0 40 FIAB Cc1cccc(OC[C@@H](O)CN(Cc2ccco2)Cc2cccs2)c1 14202082 LDSBBZACBPGAMA-KRWDZBQOSA-N 357.475 4.092 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cnc2ccccc2n1 15094436 VZKGTFPCWWYTPK-GETOMWPZSA-N 374.469 4.472 0 40 FIAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3cccs3)[nH]c2=S)cc1 16359756 HHTIVEGPLITEOL-HNNXBMFYSA-N 372.519 4.472 0 40 FIAB O[C@H](CNCc1ccccc1OCc1ccc(F)cc1)c1ccccc1 16477544 UKZCSOSOSSBFNO-OAQYLSRUSA-N 351.421 4.228 0 40 FIAB CO[C@@H]1CCC[C@H](C(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)C1 19240135 ORCVWIMZKJXNBL-XHSDSOJGSA-N 364.536 4.118 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 20030036 XULKKTCIVZGHNP-GOSISDBHSA-N 359.491 4.175 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1N1CCCC1=O 20110870 VBIJUKCZXYLQLJ-UHFFFAOYSA-N 372.490 4.046 0 40 FIAB Cc1cccc([C@@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)c1 20796035 OWZRFJBCZBPHIC-KRWDZBQOSA-N 354.413 4.012 0 40 FIAB COc1ccccc1-c1cc(COC(=O)c2c(C)noc2C(C)C)on1 22187752 IXLXLLYJJKMCJX-UHFFFAOYSA-N 356.378 4.127 0 40 FIAB COc1ccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 23235132 RUKKSJSCAGQDDD-UHFFFAOYSA-N 368.355 4.096 0 40 FIAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C)c1 24830073 JEHDGEQTFVYHDC-SJFMBGHLSA-N 362.473 4.194 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 25898653 JKXHMJWYIWHMGY-OAQYLSRUSA-N 366.486 4.460 0 40 FIAB O=Cc1ccc(O/C(=C2\N=C(c3ccccc3)OC2=O)c2ccccc2)cc1 27026579 HQFIDYWYYMMWML-MRCUWXFGSA-N 369.376 4.250 0 40 FIAB COc1ccc2cc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)[nH]c2c1 28415134 RIVUOOGBBXFJBT-UHFFFAOYSA-N 360.360 4.050 0 40 FIAB Fc1cc(CSc2nnnn2-c2ccc(Cl)cc2)c2ncccc2c1 31612466 VWZGRVXJPYJSJJ-UHFFFAOYSA-N 371.828 4.295 0 40 FIAB CC(=O)N[C@H](C(=O)Nc1ccc(Nc2ccccc2)cc1)C1CCCC1 36394989 CVVXULHLVZSSAZ-FQEVSTJZSA-N 351.450 4.064 0 40 FIAB CC(C)n1ccc(C(=O)Nc2nnc(-c3cc(Cl)sc3Cl)o2)n1 36630128 FDTTWYIKJNZXJP-UHFFFAOYSA-N 372.237 4.135 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)Nc1cc(Cl)ccc1-n1cncn1 36846068 LRDQBCSLIKBNJU-LBPRGKRZSA-N 358.854 4.040 0 40 FIAB CCCc1ccc(C(=O)c2cccc(I)c2)cc1 37357000 PKCDFILYTAJFBU-UHFFFAOYSA-N 350.199 4.475 0 40 FIAB Clc1ccc(CN2CCN(Cc3cccc4cccnc34)CC2)s1 40024433 RDEVXAACFBXPKK-UHFFFAOYSA-N 357.910 4.268 0 40 FIAB CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(-c2ccccc2)no1 40090192 UXOQRQGQFJNASO-UHFFFAOYSA-N 370.430 4.395 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)c1sc(-c2ccccn2)nc1C 40111706 HXRKYLQHDVRFGH-UHFFFAOYSA-N 352.463 4.140 0 40 FIAB CCN(CC)CCN(C(=O)COc1ccc(Cl)cc1)c1ccccc1 46085547 CUETZRNDKHSIPH-UHFFFAOYSA-N 360.885 4.094 0 40 FIAB COc1cc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1NC(C)=O 48386199 DCPFPYCFODEGMI-LBPRGKRZSA-N 367.405 4.283 0 40 FIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1 49005553 FEWQTAPRJKSKOZ-UHFFFAOYSA-N 364.449 4.172 0 40 FIAB O=C(O[C@@H](c1ccccc1)c1ccncc1)c1c(Cl)nc2ccccn12 62680511 FRNGCLAZVJAOJR-SFHVURJKSA-N 363.804 4.329 0 40 FIAB COc1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1OC 65086386 PBOMHMLFXUWCOO-ZRDIBKRKSA-N 359.853 4.119 0 40 FIAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3cn4ccccc4n3)n2c1 65588944 NHTCWHKVLAOGRQ-UHFFFAOYSA-N 367.412 4.210 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1 69634196 HHFKMTLOTIJIIH-HNNXBMFYSA-N 355.434 4.296 0 40 FIAB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NNc1ccc(C)cc1C 75278369 GKKJZCDKBZNORH-GZTJUZNOSA-N 354.841 4.180 0 40 FIAB CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1cccc2ccccc12 83989797 SNCSXZQMOKLXBN-UHFFFAOYSA-N 351.471 4.196 0 40 FIAB CCN(Cc1cnc2ccccn12)C(=O)c1csc(-c2ccccc2)n1 96025057 JAYAYCWBIJHYLY-UHFFFAOYSA-N 362.458 4.120 0 40 FIAB CC(=O)N/C(=C/c1ccccc1)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 96904563 MAZMFIUTSYKEDU-HINJULBWSA-N 364.489 4.240 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 98073269 HDJZBHRJHQBJKK-KRWDZBQOSA-N 373.452 4.346 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(F)c(F)c1 101084928 SZLUZYGPVUSVCN-BEFAXECRSA-N 360.360 4.133 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 115251362 BDNJWLFAAVCQAM-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccc2c(c1)CCCC2 223049865 BLILJDWOSJFRMC-HXUWFJFHSA-N 373.518 4.312 0 40 FIAB CCc1cc(S(=O)(=O)N(C)Cc2cccc3ccccc23)ccc1OC 223752609 XLNTWSILQLXVKL-UHFFFAOYSA-N 369.486 4.232 0 40 FIAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 224855453 LFHQOQUEQBDDIS-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225066866 UQOXYTANEWZNIT-MRXNPFEDSA-N 370.474 4.013 0 40 FIAB COc1cccc2cc(C(=O)NCc3ccnc(-c4ccsc4)c3)oc12 225755193 HUQNHVIJSAQFBW-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB COc1ccc(C2(NC(=S)Nc3ccc(C)cn3)CCCC2)cc1OC 225872553 KBJAEWALZXHQOV-UHFFFAOYSA-N 371.506 4.163 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1 225914736 ORJYYHMDHYRHOH-UHFFFAOYSA-N 355.434 4.164 0 40 FIAB O=C(c1ccccn1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257304583 SMHYKGIBBCLCST-IBGZPJMESA-N 365.408 4.167 0 40 FIAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(C)c1-c1ccccc1 409197947 SLGQRFVSAPPDJB-MRCUWXFGSA-N 352.459 4.066 0 40 FIAB Cc1cc(C2CC2)nc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 571613055 HXFWQVUNIOUKSM-UHFFFAOYSA-N 372.277 4.078 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1csc2ccccc12 585148016 NKGYIWGVLXJRLF-KRWDZBQOSA-N 359.878 4.337 0 40 FIAB Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1C 605530820 RBJCMWQLFKNPLY-MRXNPFEDSA-N 369.856 4.047 0 40 FIAB CC(C)(CCNC1CCC2(CC1)C(=O)Nc1ccccc12)C(F)(F)F 606443973 NKRPBJSFFIBPNL-UHFFFAOYSA-N 354.416 4.387 0 40 FIAB CCN[C@@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 616575830 MPVCQHXWLZYJJL-MOPGFXCFSA-N 374.525 4.286 0 40 FIAB O=C(CCc1cccc(Cl)c1)NCC1(c2ccsc2)CCOCC1 1565523157 GXGAOGLIQATKQM-UHFFFAOYSA-N 363.910 4.199 0 40 FIAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NCC(C)C 628948 LCJFDQVBWGMSTF-UHFFFAOYSA-N 370.518 4.253 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)C3CCCC3)cc2c1 1359172 KMBHHOFBCFBAMT-UHFFFAOYSA-N 366.486 4.483 0 40 FIAB CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 2343887 LDQKWJPWQIXUSS-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB COc1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)cc1OC 2432306 ZZCBDTXGFZQVSD-VIFPVBQESA-N 361.250 4.040 0 40 FIAB CN(C)c1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1 2445404 IFEOXWGWFOMQDM-UHFFFAOYSA-N 355.854 4.239 0 40 FIAB O=C(c1cccc(CN2CCSCC2)c1)c1cccc(C(F)(F)F)c1 2515300 MQMSNZQSIXQJIK-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)C4CC4)cc3)sc2c1 2626212 LJCMLEIAHYSHRY-UHFFFAOYSA-N 366.442 4.163 0 40 FIAB COc1ccc2nc(NC(=O)c3ccc4nc(C)sc4c3)sc2c1 3175137 ZEIXMGCBDSMWRV-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 3241003 CDXVWJYKBZLYPG-AEZGRPFRSA-N 369.364 4.351 0 40 FIAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(Cl)cc1Cl 3496157 GOFSLSVDILMHHQ-VIFPVBQESA-N 367.261 4.155 0 40 FIAB O=C(c1ccco1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 4273312 JTMFOLNNLGPHHE-UHFFFAOYSA-N 371.368 4.410 0 40 FIAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 4517935 KVGKCSMOKQEOIV-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB Cn1c(-c2ccc3c(c2)OCO3)cn2cc(-c3cccc(Cl)c3)nc12 4678373 XYUMULSWQKGULU-UHFFFAOYSA-N 351.793 4.389 0 40 FIAB CCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(-c2ccncc2)s1 4881310 AFYWKLBZUXWKQG-UHFFFAOYSA-N 368.506 4.169 0 40 FIAB CCSc1ccccc1C(=O)Nc1nc2ccc(C(=O)OC)cc2s1 5240793 BWVIICDTMAYQHG-UHFFFAOYSA-N 372.471 4.447 0 40 FIAB CC(C)CNC(=S)NCc1cn(-c2ccccc2)nc1-c1ccccc1 6326429 OSAAZXNWNHNENY-UHFFFAOYSA-N 364.518 4.159 0 40 FIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccccc1F 6752994 FBFQCERIQVKZAB-FQEVSTJZSA-N 365.408 4.267 0 40 FIAB CCCCc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 7130096 LSPOEOILKQXGFB-UHFFFAOYSA-N 350.462 4.404 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)/C=C/c1cccc(OC)c1 7506781 YJCGODLNOGDISG-DHZHZOJOSA-N 354.402 4.053 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1 7641497 KWYPUWJLQMOMJK-UHFFFAOYSA-N 368.458 4.453 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7668701 ZGDTXCWEBROJKR-OXJNMPFZSA-N 360.523 4.326 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)COc1cccc(Br)c1 7829385 HTCMQAVOQUJVRG-NSHDSACASA-N 366.280 4.035 0 40 FIAB CCN(CC(=O)Nc1cccc2ccccc12)Cc1ccc(OC)c(F)c1 8214142 QZPULAHCNIEKRZ-UHFFFAOYSA-N 366.436 4.448 0 40 FIAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@](O)(CCCCO)[C@]3(C)CC[C@@H]21 8242860 FDLIAZXOUAVHRF-IACLWVNRSA-N 358.522 4.445 0 40 FIAB Cc1cccc2cc(CN(C(=S)NCC(C)C)C3CCCC3)c(=O)[nH]c12 8685677 ORNCDESNIHBXMQ-UHFFFAOYSA-N 371.550 4.112 0 40 FIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(C)nc2ccccc12 8745141 HMHZPHBUUCAOQR-OFNKIYASSA-N 371.484 4.300 0 40 FIAB CCCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)n1 8751012 YTZSPYQKBCBZKG-MRVPVSSYSA-N 359.282 4.183 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 8915639 KUQXCWPHGQXFNX-GFCCVEGCSA-N 357.797 4.104 0 40 FIAB O=C(Nc1ccccc1F)c1oc2cccnc2c1NC(=O)C1CCCC1 9108081 CLAAFZKADPXCML-UHFFFAOYSA-N 367.380 4.348 0 40 FIAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cccnc4)ccc3o2)cc1 9660039 KAKIPYCUBVEIIF-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB biogenic Cc1cc(C)c(NC(=O)CNC(=O)N[C@H](c2ccccc2)C2CC2)c(C)c1 9935918 ONYYXDJBSMKOMM-OAQYLSRUSA-N 365.477 4.001 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1ccccc1Br 10717314 BKSLTQYUTMLXDF-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB CCC(CC)C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl 12441276 IJTCTVUQPTXYOZ-UHFFFAOYSA-N 372.856 4.433 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)N1CCC(CCc2ccccc2)CC1 12532362 FMNFXRPFVVGHCW-UHFFFAOYSA-N 361.489 4.367 0 40 FIAB O=C1c2ccccc2N[C@@H](C2=Cc3ccccc3OC2)N1Cc1ccco1 12551737 WUYLYNXVFRHPPI-OAQYLSRUSA-N 358.397 4.150 0 40 FIAB CC(=O)[C@@H]1[C@H](N(C)C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12657114 KIIFJDKQTHOFGN-OAYRPIMLSA-N 359.554 4.055 0 40 FIAB biogenic COc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1 12940963 YUISSUSCHQSLLM-UHFFFAOYSA-N 356.809 4.200 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 12947067 QBRYQQBCRNHUKO-WBVHZDCISA-N 354.450 4.284 0 40 FIAB COc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c1O 13127748 FXGZOASXLBHBHB-GJZGRUSLSA-N 363.461 4.493 0 40 FIAB CC[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc2ccccc2c1 13572676 DYHIJWGNYRCHRT-HNNXBMFYSA-N 363.446 4.016 0 40 FIAB CC(=O)NCCCc1ccc(-c2csc(NCc3ccco3)n2)cc1 14183701 VJVRIGKECJQOSL-UHFFFAOYSA-N 355.463 4.084 0 40 FIAB COc1cccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)c1 14582726 JLFFHBBENJFSNG-UHFFFAOYSA-N 371.487 4.020 0 40 FIAB Cc1ccc(CNc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 18941196 XLAKBTHBXRIIHE-UHFFFAOYSA-N 373.503 4.102 0 40 FIAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1ccc(-c2ccccn2)cc1 19712368 WNCCWLVWBIZZQS-XZOQPEGZSA-N 363.505 4.114 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 20490293 ICKHUGQHUXWGSN-GOSISDBHSA-N 363.413 4.407 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1OC 22534203 DVVNVMLQLASSEL-CYBMUJFWSA-N 359.447 4.026 0 40 FIAB CCc1ccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 23053368 RJBFLPLEWNRYMR-CQSZACIVSA-N 364.367 4.057 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 24976341 QYPHGIBPCWHCKT-XGOAVSACSA-N 362.558 4.039 0 40 FIAB CCN(CC)[C@H](CNC(=O)Cc1ccc(OC)cc1)c1ccccc1Cl 27794421 KJXIUBZOMATXLF-HXUWFJFHSA-N 374.912 4.090 0 40 FIAB biogenic Cn1c(COc2ccccc2Cl)nnc1S[C@H]1CCCCCC1=O 29383143 YRRYABAGYYSVGC-HNNXBMFYSA-N 365.886 4.041 0 40 FIAB Cc1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c(Br)c1 29483251 CAANFQHZJYXZCG-GOSISDBHSA-N 373.294 4.315 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCn1ccc2ccccc21 33028394 QCOCFHSWSVBLNJ-HNNXBMFYSA-N 356.853 4.269 0 40 FIAB OCc1ccc(OCc2ccc(Cl)cc2)c(I)c1 34772820 FUDJUHPGFREKJW-UHFFFAOYSA-N 374.605 4.016 0 40 FIAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 36635899 WCMBXTBAAJEHEH-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 38754747 QVJVPMPYPQJMSM-GOSISDBHSA-N 372.440 4.150 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1cccs1 40119760 NFZUJCIWEAJNLW-UHFFFAOYSA-N 359.882 4.063 0 40 FIAB Cc1ccc([C@H](NC(=O)NCCc2ccc(F)cc2)C(F)(F)F)cc1 40158470 LOVGUQBUBHJYEC-INIZCTEOSA-N 354.347 4.279 0 40 FIAB CN(C)C(=O)[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 48309620 NUBLQVYZLHNSQV-PKTZIBPZSA-N 358.485 4.390 0 40 FIAB Cc1ccccc1[C@H]1CCCN1C(=O)CCCNC(=O)NC1CCCCC1 48356567 RCODAZRMMYCPMJ-HXUWFJFHSA-N 371.525 4.071 0 40 FIAB CCc1ccc(Nc2c(C(=O)N3CCCC3)cnc3nc(C)ccc23)cc1 49004605 AWXAKDWWTXRCHN-UHFFFAOYSA-N 360.461 4.480 0 40 FIAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)o2)cc1 49169906 DNAJRFKAWVNJIF-INIZCTEOSA-N 355.388 4.313 0 40 FIAB biogenic,in-vitro O=C1C[C@@H](c2ccc(C(=O)O)cc2)c2snc(-c3ccc(F)cc3)c2N1 49549089 UYASMFDKXNQPSG-AWEZNQCLSA-N 368.389 4.122 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccccc3Cl)o1)SCC(=O)N2 49549857 AWWJSVZHFBVWEK-MRXNPFEDSA-N 359.838 4.406 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 58080795 UMPNKNFUSUSDSA-ZDUSSCGKSA-N 367.836 4.300 0 40 FIAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cc(=O)c3ccccc3o2)c1 60859638 HROKADRBWYAOSZ-UHFFFAOYSA-N 373.412 4.156 0 40 FIAB CCn1c(CNC(=O)Cc2c(C)nc3ccccc3c2C)nc2ccccc21 61070984 JIIKQJMTOXNYEI-UHFFFAOYSA-N 372.472 4.080 0 40 FIAB CCc1cccc2c1N(C(=O)c1cnn(-c3ccc(Cl)cc3)c1)CC2 62582480 BUJMJWLPLUIEPO-UHFFFAOYSA-N 351.837 4.291 0 40 FIAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCC[C@@H]1c1cccs1 63809181 BQJGZGSWAFFAMP-CYBMUJFWSA-N 357.460 4.037 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@@H](C)OC(C)(C)C1 65609157 GDPIGZKXCHEUSV-SNVBAGLBSA-N 366.820 4.082 0 40 FIAB CC(=O)c1ccc(NC(=S)N2CCC(N(C)c3ccccc3)CC2)cc1 66008441 XJSLHVOTMUKLBQ-UHFFFAOYSA-N 367.518 4.187 0 40 FIAB O=C1C[C@H](C(F)(F)F)c2sc(C(=O)O)c(-c3ccccc3F)c2N1 66089634 OQXGYDRRJUUUDY-ZETCQYMHSA-N 359.300 4.241 0 40 FIAB CN(Cc1ccccc1)C(=O)Cn1ccc2cc(Br)ccc21 71279827 NLJRBDNUXBOJHF-UHFFFAOYSA-N 357.251 4.062 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1OCC 72331518 QXMGXPFSTLMGSW-UHFFFAOYSA-N 351.805 4.207 0 40 FIAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 72377052 IVGPOFNQGPRVDL-GOSISDBHSA-N 368.456 4.109 0 40 FIAB CN(C1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccc(F)c(F)c1 83855527 DVNMXFLCSBNNHM-UHFFFAOYSA-N 365.445 4.312 0 40 FIAB COc1ccccc1CN(c1nn2cc(C(C)(C)C)nc2s1)C1CC1 84284650 UJWQUGZMCOAEEY-UHFFFAOYSA-N 356.495 4.266 0 40 FIAB O=C1C[C@@H](c2cccc(C(F)(F)F)c2)c2cnn(Cc3ccco3)c2N1 85412038 QFJLEMQMFQAREQ-AWEZNQCLSA-N 361.323 4.017 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C)c1ccccc1 95408091 DZTMCLXCPWOPNP-FPOVZHCZSA-N 370.468 4.297 0 40 FIAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 101277174 RTGROAVSIVAIDJ-INIZCTEOSA-N 363.244 4.300 0 40 FIAB CC(C)C[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 101459290 JJPVXVQEVKCGAB-KRWDZBQOSA-N 350.397 4.082 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)C2 101744477 RDPKAXGUEATHLG-BOLBYERCSA-N 351.918 4.022 0 40 FIAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2c(Cl)cccc2Cl)CCC[C@H]1C 102167849 FSGGEQHZDBWFNL-SUNKGSAMSA-N 358.265 4.091 0 40 FIAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4)C3=C(O)C2)cc1 102674260 COWFTLXHROQOOR-KKSFZXQISA-N 372.428 4.352 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106701780 DOKSXRCCQQBRCI-WQRHYEAKSA-N 369.442 4.249 0 40 FIAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccccc1 107634854 DPPSJBHGORJGGX-UHFFFAOYSA-N 359.882 4.067 0 40 FIAB O=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CCOc2c(Cl)cccc21 108886849 VFOVMCHNJGRFSB-GUYCJALGSA-N 372.852 4.029 0 40 FIAB O=C(c1cccc(-n2cccn2)c1)N1CCS[C@@H](c2cccs2)CC1 219514182 BTCKAHKFXMWZQG-GOSISDBHSA-N 369.515 4.254 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C1CC1 222598857 YGDNRYJJWHXYCS-FASAQXTFSA-N 352.507 4.424 0 40 FIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222914181 ICDMRHAUGZVGNE-MSOLQXFVSA-N 356.539 4.267 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cn2c3c(cccc3c1=O)CC2 223092537 BYTWYPDDYGVKBQ-UHFFFAOYSA-N 359.212 4.117 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc2ccccc2c1 223622586 IJZRZMVEDYBTCL-OAQYLSRUSA-N 367.420 4.332 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1 224130993 KYJIXRWVMDXCBM-SECBINFHSA-N 357.888 4.100 0 40 FIAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224659478 MEIIBDZMPDJCPR-UHFFFAOYSA-N 363.479 4.006 0 40 FIAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224948208 SYZMGAJYGPVLSC-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCCc2ccc(C)cc2)c1C 225388175 OVKVOFFDXVGXSB-UHFFFAOYSA-N 356.491 4.009 0 40 FIAB Cc1cccc(CNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225428390 YNINYXUQHQPIJC-UHFFFAOYSA-N 367.518 4.108 0 40 FIAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(F)cc1 408572208 FPWFIJBBFHLOCC-UHFFFAOYSA-N 371.433 4.472 0 40 FIAB CCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 408588447 WGLSIJLIDOAZNL-UHFFFAOYSA-N 353.201 4.432 0 40 FIAB O=C(NC1CCCCC1)c1ccccc1NC(=O)c1c(F)cccc1F 408614849 IVSNUMXVNXAYEV-UHFFFAOYSA-N 358.388 4.280 0 40 FIAB C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(-c2ccncc2)cc1 521521002 PCPBMLOQCJOQFK-SFHVURJKSA-N 369.472 4.239 0 40 FIAB O=C(Cc1ccc(F)cc1F)NCc1nc(C2CCCCC2)cs1 575604808 FTOVEPLZSRQRHA-UHFFFAOYSA-N 350.434 4.328 0 40 FIAB Cc1ncccc1-c1noc([C@@H](C)N2CCC(Cc3ccccc3)CC2)n1 585084357 ORNSRGJAWIWXRZ-QGZVFWFLSA-N 362.477 4.456 0 40 FIAB CC(C)(C)[C@H](NC(=O)c1ccc(C(F)(F)F)c(O)n1)c1ccccc1 666732653 KSBRJJUXUFMDLO-CQSZACIVSA-N 352.356 4.323 0 40 FIAB Cc1ccccc1C(=O)Nc1c(C)cc(I)cc1C 638600 LMUKBPDJVUCDQX-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB Cc1nc(C)n([C@H](Oc2ccc(Cl)cc2Cl)C(=O)C(C)(C)C)n1 727402 GNNUATACUSZEFH-OAHLLOKOSA-N 356.253 4.395 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](c3ccsc3)C3=C2COC3=O)cc1Cl 1427615 BLLVGLVAYXADIY-CYBMUJFWSA-N 359.834 4.041 0 40 FIAB O=C(Oc1ccc(Br)cc1Br)c1ccccc1 1556494 WHWSHWZIJIZSIG-UHFFFAOYSA-N 356.013 4.431 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccc(F)c1 4305479 QDLGDFHMXLCUEN-LJQANCHMSA-N 366.461 4.421 0 40 FIAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 4838318 MLUDCXVGODJPKS-GOSISDBHSA-N 350.462 4.329 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1cccs1 4854597 JDASEERZNVSYQV-QGZVFWFLSA-N 359.401 4.465 0 40 FIAB Fc1ccccc1-n1cnnc1SCc1ccccc1Br 4890993 DNTHXHSRXDXLSA-UHFFFAOYSA-N 364.243 4.461 0 40 FIAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1 5256012 ROSBCGPCUYPKQK-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 5268495 DALIPOLPYZRMLS-UHFFFAOYSA-N 363.845 4.106 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(Cl)cc1Cl 5375311 LYGMSAJMWXZXOR-HNNXBMFYSA-N 354.189 4.292 0 40 FIAB C[C@H](NC(=O)COC(=O)Cc1cccs1)c1ccc(Cl)cc1Cl 5786827 FGBNNDNCUBQAPC-JTQLQIEISA-N 372.273 4.018 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1nnc(-c2ccccc2)o1 6353447 PYBWPYNDSMEDJL-UHFFFAOYSA-N 372.808 4.291 0 40 FIAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1CCCCCC1 6543621 SKBRLBUBGBETEJ-UHFFFAOYSA-N 365.549 4.158 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 6662608 SKWDZEOBWIUHJR-CQSZACIVSA-N 352.434 4.293 0 40 FIAB Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3Cl)n2)cc1 7759870 ZZZVXPMZUQDAPV-ZHACJKMWSA-N 353.809 4.028 0 40 FIAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1 8332474 ZETPJUXYTUXJQL-VZCXRCSSSA-N 372.877 4.465 0 40 FIAB Cc1ccc(O)c(NC(=O)CSc2ccc(Br)cc2)c1 8391343 DQJQSLBTLDYBMH-UHFFFAOYSA-N 352.253 4.194 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)Cc3cccc(F)c3)cc2)cs1 8987680 YMVMQNFVQQYBAX-UHFFFAOYSA-N 354.450 4.159 0 40 FIAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(F)c4)cc3n2)cc1 9141380 WMQGVJYPXCTRCW-UHFFFAOYSA-N 360.392 4.374 0 40 FIAB O=C(Nc1ccccc1Br)c1ccc(CN2CCCC2)cc1 10331748 MLLVYCILCGHORK-UHFFFAOYSA-N 359.267 4.297 0 40 FIAB COc1ccccc1CNc1ncc(-c2ccccn2)c(-c2ccco2)n1 12222701 RZLMVUITYDNNFQ-UHFFFAOYSA-N 358.401 4.419 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)COc3ccccc3C)cc2)cs1 12621040 CVCHKEDGFYGIGO-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 12787602 DLTNDSGDUDPDFT-UHFFFAOYSA-N 371.868 4.030 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2Br)cc1C 12906228 AKVYNFIEDDQZQA-UHFFFAOYSA-N 365.202 4.107 0 40 FIAB Oc1ccc(CCC2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 12949642 DWVUZWKZEKTPQC-UHFFFAOYSA-N 369.490 4.349 0 40 FIAB C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 14116443 AGZUGQQOFUFKAM-INIZCTEOSA-N 362.477 4.441 0 40 FIAB CSc1ccccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 14671008 PJKXRDJNOZYXHE-UHFFFAOYSA-N 357.410 4.169 0 40 FIAB Cc1cccc(N2CCN(C(=O)COc3cc(C)ccc3C(C)C)CC2)c1 16724166 POVVXIMVRUQOMC-UHFFFAOYSA-N 366.505 4.154 0 40 FIAB CCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3ccccc3nc21 16975251 IGIONYDVHLVPEZ-UHFFFAOYSA-N 374.444 4.184 0 40 FIAB CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(C)(C)C)CC3)ccc21 19498879 GZXCGAZOPVDIBN-NRFANRHFSA-N 372.553 4.167 0 40 FIAB Cc1ccc(SCCC(=O)NCc2ccccc2-n2ccnc2C)cc1 20111291 YFWQPAARWGUVRZ-UHFFFAOYSA-N 365.502 4.288 0 40 FIAB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccco3)sc2c1 20411493 UZWNMUURTUSNTF-VQHVLOKHSA-N 370.430 4.498 0 40 FIAB CN(C)CCNCC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 20572789 IMRVQAZSRCSPTM-IBGZPJMESA-N 372.475 4.074 0 40 FIAB O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(Cc2ccco2)CO1 20733870 JBJYEGCGKUROEH-UHFFFAOYSA-N 353.418 4.300 0 40 FIAB CCn1cc(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2cc(Cl)ccc21 22235065 INMCISZGJOBVLA-UHFFFAOYSA-N 362.763 4.205 0 40 FIAB CCc1nc2sc([C@@H](c3ccccc3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 22853869 KTKLQWDPJBNKQB-JKIFEVAISA-N 370.522 4.126 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 28291531 JVMREVHFTMUTPV-GOSISDBHSA-N 372.534 4.025 0 40 FIAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1cc(C2CC2)[nH]n1 29914044 NWKPTCFDLMCUSU-LJQANCHMSA-N 351.837 4.460 0 40 FIAB Cc1cccc(CNC(=O)COc2ccc(Cl)cc2Br)c1 31108340 WMCJTSGWGCJXSR-UHFFFAOYSA-N 368.658 4.106 0 40 FIAB CN(Cc1cccc(NC(=O)CCC2CCCC2)c1)C(=O)C(F)(F)F 31374110 RUHOAUWNAYAWRA-UHFFFAOYSA-N 356.388 4.116 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N(C)Cc2nc3ccccc3s2)s1 32740988 MALJAJSGENSTDT-UHFFFAOYSA-N 358.488 4.288 0 40 FIAB CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc2oc(=O)ccc2c1 32755328 RLMGOJZSXXSYNS-ZDUSSCGKSA-N 358.415 4.074 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccccc1Cc1ccccc1)Cc1ccccc1 32983497 YPNZHDILCLVMPJ-QHCPKHFHSA-N 372.512 4.180 0 40 FIAB COc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn12 35616192 IJMWFMVLYBDKRY-UHFFFAOYSA-N 359.433 4.215 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCc1ccccc1-n1ccnc1C 38755974 DNJWFXHUDZHPMF-UHFFFAOYSA-N 371.440 4.273 0 40 FIAB CN(c1ccc(NC(=O)N2CCSCC2)cc1F)C1CCCCC1 40151186 OCNHAAHFXAVVBA-UHFFFAOYSA-N 351.491 4.175 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)cc1 40283289 KEFXDTMDISHCOD-AWEZNQCLSA-N 355.344 4.283 0 40 FIAB CC(C)[C@H](NC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccs1 43874619 MTEQXIUVHUEWCU-KRWDZBQOSA-N 357.479 4.159 0 40 FIAB CCCC[C@H](CC)CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 48342213 CGBLYCSAKMZQSY-LBPRGKRZSA-N 360.907 4.081 0 40 FIAB Cc1cccc(-n2nnnc2SCCCc2nc3ccccc3o2)c1C 48356618 AVALUOPCCVAZNZ-UHFFFAOYSA-N 365.462 4.145 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1F 51364550 XLDSUOLRODEOTH-KRWDZBQOSA-N 362.404 4.293 0 40 FIAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(NC(=O)Nc2ccccc2)cc1 53261566 OUUWQXUIYVMHTR-BEFAXECRSA-N 367.449 4.077 0 40 FIAB CCC(C)(C)NC(=O)c1ccc(NCc2nc(C(C)C)no2)cc1Cl 55879341 XXSMYSITJATHOK-UHFFFAOYSA-N 364.877 4.377 0 40 FIAB Cc1ccc(N)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 57340357 KZDYFLLOMSMDIA-UHFFFAOYSA-N 363.255 4.136 0 40 FIAB CCc1nc([C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)no1 69219330 OPPJCNSIICYTNS-LLVKDONJSA-N 368.359 4.062 0 40 FIAB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H](c1ccccc1)n1cccc1 70636932 IRJQBUHPYVVKOW-GOSISDBHSA-N 374.362 4.293 0 40 FIAB Cc1nc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)sc1C 75110943 CURKYHOJPXGCAN-IRXDYDNUSA-N 367.478 4.007 0 40 FIAB C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cc(-c2cccc(Cl)c2)no1 84636958 CCLNDMGKJKBEDO-ZDUSSCGKSA-N 368.820 4.386 0 40 FIAB CC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2nc3ccccc3s2)cc1 84640998 AWZQQRIOITZDKK-LBPRGKRZSA-N 353.447 4.252 0 40 FIAB CC1(O)C[C@@H]2CC[C@H](C1)N2C(=O)CCCOc1ccc(C(C)(C)C)cc1 84673323 UBLWEJOVTMFHSU-VSOVRNOCSA-N 359.510 4.048 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Oc2ccc(Oc3ccccn3)cc2)c1C 95947802 ZUZTVJBLWSNCPF-UHFFFAOYSA-N 350.374 4.241 0 40 FIAB COc1ccc(C(=O)N(CCc2cccs2)Cc2ccco2)cc1F 96120276 SNOQLOOLYWXZJS-UHFFFAOYSA-N 359.422 4.374 0 40 FIAB CSc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96254769 PKBMYAIKTUNKRT-UHFFFAOYSA-N 373.865 4.384 0 40 FIAB O=C(C[S@@](=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 107930255 SOVHFCSVGZRTGF-QHCPKHFHSA-N 361.772 4.105 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2C)c(OC)c1 197409705 PEMFSAYHSZSQJT-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCCN(C)c2ccccc2)cc1 222903379 QLFXFEISTIKKOD-OAQYLSRUSA-N 354.494 4.049 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2CC)s1 223294047 RAQXJICAMJBHDM-LLVKDONJSA-N 351.497 4.009 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225130502 AHTIKFFVOZDKTO-IZZDOVSWSA-N 368.458 4.304 0 40 FIAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225317300 YEZGXSROXRHOQB-IBGZPJMESA-N 353.462 4.355 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCSC2CCCCC2)c1C 225357857 OPNOERBMIYVYNC-UHFFFAOYSA-N 366.552 4.134 0 40 FIAB COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1Cl 225573121 VQFSZDLARWPXGA-UHFFFAOYSA-N 363.816 4.175 0 40 FIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225612002 IMCKGRUPIIFJCN-NRFANRHFSA-N 362.514 4.085 0 40 FIAB CCOc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c2ccccc12 225927741 HHYUQRNBWMPEDQ-UHFFFAOYSA-N 370.449 4.234 0 40 FIAB COc1ccccc1OC(=O)N[C@@H]1c2ccccc2O[C@@H]2CCCC[C@@H]12 253575689 UXLAGYWHKLXIQR-WRWLIDTKSA-N 353.418 4.476 0 40 FIAB CC(C)(C)OC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257240033 HRTQMIOSEIOQRQ-JWPKLBNJSA-N 356.510 4.138 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(F)cc2)cc1 408849142 YXONFYNBEQKRNO-XSFVSMFZSA-N 357.388 4.364 0 40 FIAB CCc1nc(CN(C)C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)cs1 581929199 RFBGVKFRRCZLIV-INIZCTEOSA-N 365.449 4.203 0 40 FIAB CO[C@H]1CCCN(C(=O)NCc2ccc(Oc3ccccc3)cc2)CC1 679969508 MLNPXXVDPGAZMX-SFHVURJKSA-N 354.450 4.189 0 40 FIAB COc1ccc(OC(F)F)c(CNC(=O)c2cccc3cc(O)ccc23)c1 1622958190 VFEOJSJAINZVRA-UHFFFAOYSA-N 373.355 4.085 0 40 FIAB O=C(NCc1cc(-c2ccoc2)cs1)c1cc(=O)c2ccccc2o1 1775969671 FTIRERSDMUGBQJ-UHFFFAOYSA-N 351.383 4.045 0 40 FIAB CCCc1cc(-c2oncc2-c2ccc3c(c2)OCCO3)c(O)cc1OC 630496 NXTKEWHAZPGXFC-UHFFFAOYSA-N 367.401 4.447 0 40 FIAB biogenic CC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@@H]21 670026 QZQZISHGPPUQIL-GANFFNEQSA-N 372.262 4.015 0 40 FIAB Cc1ccc2nc3sc(C(=O)Nc4ncc(C)s4)c(N)c3cc2c1 907304 XVQGQHCCEGQIGY-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB COc1ccc(C(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc1 929987 YEPRMXSEDFBIIT-UHFFFAOYSA-N 367.426 4.256 0 40 FIAB Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccccc12 1068876 UNIQWRNNGXHAFO-HSZRJFAPSA-N 369.424 4.181 0 40 FIAB Cc1cc(C)c(S(=O)(=O)c2cc(F)ccc2C)c(OCC(C)C)n1 1392034 YTKPKDDMPBOWKE-UHFFFAOYSA-N 351.443 4.014 0 40 FIAB O=C(Nc1nc(C(=O)O)cs1)OCC1c2ccccc2-c2ccccc21 1420643 RVHMYRUAZBVNJG-UHFFFAOYSA-N 366.398 4.202 0 40 FIAB COc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c(N)ncnc32)cc1 1609266 IJWWSJUNKOKJGN-UHFFFAOYSA-N 350.809 4.332 0 40 FIAB CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(OC)cc3)ccc12 2236578 VKMDODARLQESPA-UHFFFAOYSA-N 366.413 4.324 0 40 FIAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(C)C)c2ccccc2n1 3364986 HSRWGUOPTWJNKA-UHFFFAOYSA-N 362.429 4.462 0 40 FIAB Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C[C@H]1CCCO1 3426672 FMPHHVFXOVHBPR-OAHLLOKOSA-N 370.474 4.400 0 40 FIAB COc1ccc(NCN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 5127488 DHFGSEQJGITWSA-HYZSBJHASA-N 366.442 4.357 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)n2)cc1 5211050 NBVRMBSHQVRMAU-ZNMIVQPWSA-N 358.511 4.050 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 5213549 HVIYEXUXTONCLQ-UHFFFAOYSA-N 360.822 4.374 0 40 FIAB CCCCN(CCCC)C(=O)NCCNC(=O)N(CCCC)CCCC 5298071 KEVOCRQDKXSFFM-UHFFFAOYSA-N 370.582 4.210 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1 5441749 GMSAVNSQGDFHLW-UHFFFAOYSA-N 366.461 4.092 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 5577524 GVJMPTHZEWGEHV-UHFFFAOYSA-N 367.401 4.127 0 40 FIAB O=c1c2c3c(sc2ncn1Cc1ccccc1C(F)(F)F)CCC3 6111640 HMHQFQHPOWVMRT-UHFFFAOYSA-N 350.365 4.014 0 40 FIAB Cc1ccc(C(=O)NCc2ccc(CNC(=O)c3ccc(C)cc3)cc2)cc1 6273586 WMKAWGQWMQCBBX-UHFFFAOYSA-N 372.468 4.163 0 40 FIAB CCCCCn1nc(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O 6650651 NQGLZCQKIWGADT-UHFFFAOYSA-N 369.852 4.492 0 40 FIAB Cc1csc(SCC(=O)N[C@H](C)c2ccccc2Br)n1 7195463 IRMBDPKKHBDSLG-SNVBAGLBSA-N 371.325 4.184 0 40 FIAB CCc1noc(C)c1C(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 7737057 FPCHBQAXTVKLRL-UHFFFAOYSA-N 360.417 4.445 0 40 FIAB COc1ccccc1CCC(=O)Oc1ccc(C(=O)c2ccccc2)cc1 7968447 BSQJYCYXXWDWBD-UHFFFAOYSA-N 360.409 4.464 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)c3cc(C)ccc3C)n2C)c1 7983135 SWOVTYRUHUQTDY-UHFFFAOYSA-N 351.475 4.382 0 40 FIAB COc1cccc(Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)c1 8209030 NEKVJGWEGUEEPW-UHFFFAOYSA-N 353.447 4.198 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)CSc1nnc(-c2cccs2)o1 8754992 WEONFHVLXWJNAN-LBPRGKRZSA-N 359.476 4.076 0 40 FIAB O=S(=O)(Cc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 9503416 JHBPLPVPHLFBLV-GOSISDBHSA-N 361.463 4.096 0 40 FIAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccc(F)cc1 9690646 BIVAXTMCVGWYSP-HXPMCKFVSA-N 357.406 4.059 0 40 FIAB COc1cc(Cl)c(NC(=O)c2cnc(Cl)c(Cl)c2)cc1OC 11014080 DHTNDRGATGYRGQ-UHFFFAOYSA-N 361.612 4.311 0 40 FIAB O=C(CN1CCC(CCc2ccccc2)CC1)Nc1c(F)cccc1F 11154959 FNEYNGSUJZRCPQ-UHFFFAOYSA-N 358.432 4.248 0 40 FIAB Cc1ccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)cc1Cl 11427605 ZLKKLPZKUGDIAY-UHFFFAOYSA-N 372.881 4.132 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C(C)C 11565828 KFMLRPKNYFJBBO-HZPDHXFCSA-N 353.528 4.265 0 40 FIAB Cc1ccccc1C(=O)Nc1nonc1-c1ccc(Br)cc1 11916342 YHFUNVJYQMRKFH-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(Cl)cc1N 12311693 IMCKYUQJVSZKCA-MRRJBJDNSA-N 367.873 4.083 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C[C@@H]1C=CCC1 12484478 FIRFGRQTOKWXAL-GFCCVEGCSA-N 355.265 4.137 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(F)cc1 12622137 TWTUZEPOJAWVCR-MRXNPFEDSA-N 370.453 4.131 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12685927 WOZDLMDNVBIXSE-YHWZYXNKSA-N 359.520 4.114 0 40 FIAB O=C(CCNC(=O)c1ccco1)Nc1ccccc1Sc1ccccc1 12799484 MASOHNSKSFRYFH-UHFFFAOYSA-N 366.442 4.189 0 40 FIAB Cc1ccc(O)c(C(=O)OCc2csc(COc3ccc(F)cc3)n2)c1 12907641 YGESFCQSBYKERD-UHFFFAOYSA-N 373.405 4.232 0 40 FIAB COC(=O)c1ccc(OC)cc1OCc1nc(-c2cccs2)oc1C 12943455 AKZQKDXURTVVIF-UHFFFAOYSA-N 359.403 4.086 0 40 FIAB CC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 14234635 OSIIFBKWFNZJEY-OAHLLOKOSA-N 374.444 4.268 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14396274 NVRMFEHMFZWDBD-CQSZACIVSA-N 374.868 4.276 0 40 FIAB Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(-c4ccco4)on3)[nH]c2c1 19221528 CNSZYRCXGZEKEH-MRXNPFEDSA-N 362.389 4.097 0 40 FIAB Cc1cc(NC(=O)CCn2c(C(F)F)cc3cccnc32)n(C(C)C)n1 19572670 JMAHEMFRZLFXFH-UHFFFAOYSA-N 361.396 4.089 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)NCc3cccc4ccccc34)ccc21 22507357 ADMAXNYMEJKUCX-UHFFFAOYSA-N 373.456 4.461 0 40 FIAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccnc1 22693032 MASFSSKWSMVFDV-ZDUSSCGKSA-N 355.825 4.200 0 40 FIAB c1coc(Cn2cnnc2SCc2csc(-c3ccsc3)n2)c1 22988943 RRDQMICGYLDVAJ-UHFFFAOYSA-N 360.489 4.397 0 40 FIAB Cc1cccc(COc2ccccc2C(=O)NC2CCN(C(C)C)CC2)c1 22989616 IAEKFTGVFFVKLG-UHFFFAOYSA-N 366.505 4.177 0 40 FIAB Cc1nc(SCc2noc(-c3ccco3)n2)c2c3c(sc2n1)CCC3 24045117 DAANVVPSJDRLSQ-UHFFFAOYSA-N 370.459 4.424 0 40 FIAB c1ccc(Cc2cc3ccccc3nc2SCCN2CCOCC2)cc1 26440399 HSJPNJALHQLZHL-UHFFFAOYSA-N 364.514 4.250 0 40 FIAB O[C@@H](CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1F 28915391 OHLSPYONVBTZHM-KDOFPFPSSA-N 356.466 4.348 0 40 FIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Cl)cc2)cc1 30862670 ZLAGCRKYZWNGKI-GOSISDBHSA-N 367.898 4.414 0 40 FIAB Cc1cccc(C(=O)N[C@H](C)c2cccs2)c1I 32475887 CSVIEZGMIVTZPT-SNVBAGLBSA-N 371.243 4.152 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1Cl 32763293 BZANGZFZOMLLAJ-OAHLLOKOSA-N 352.862 4.108 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1 32770877 GDPKJRLFZSBUMZ-UHFFFAOYSA-N 353.397 4.041 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)N[C@@H](C)CCc2ccccc2)c1 32862655 XJYHNEQCBBQBDE-HOTGVXAUSA-N 356.466 4.085 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 35312989 DGCVAXIAXLGJAN-INIZCTEOSA-N 369.440 4.271 0 40 FIAB C[C@H](O)c1ccc(-c2ccc(CN[C@@H](C)[C@H](O)c3ccccc3)o2)cc1 35539953 VYSXKPWWGYKNEV-WCJKSRRJSA-N 351.446 4.212 0 40 FIAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCC[C@H](C)C3)c(O)n2n1 36104714 SNCTYSFMSVVDKV-BLLLJJGKSA-N 374.485 4.019 0 40 FIAB CC(C)c1ccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36358548 AYJQVHCTQRTQJG-OAHLLOKOSA-N 357.479 4.227 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)cc1OC 36360583 MAMHRYALNCNDHQ-HNNXBMFYSA-N 367.380 4.152 0 40 FIAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 40373049 ZANHFFQEVFCQHR-MZKRTTBSSA-N 367.533 4.174 0 40 FIAB O=C(C1CC1)N1CCC(NCc2ccc(-c3ccccc3F)s2)CC1 42209286 XGUGEYUUQDJLJP-UHFFFAOYSA-N 358.482 4.045 0 40 FIAB CCSc1nnc(SCc2nc3cc(Cl)ccc3n2C)s1 43242956 LJCTVXMLCBGVPQ-UHFFFAOYSA-N 356.929 4.483 0 40 FIAB CSc1ccc([C@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 47103275 SFURRXNWQMNEDG-JTQLQIEISA-N 371.487 4.211 0 40 FIAB C[C@@H]1CCCC[C@H]1OCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 48237300 FYCYQQRHCFJUHJ-VGOFRKELSA-N 370.537 4.139 0 40 FIAB COc1ccc(CCCNC(=O)N(C)Cc2ccc(Cl)s2)cc1 56489361 KBMURCDVCADZBS-UHFFFAOYSA-N 352.887 4.184 0 40 FIAB COc1ccccc1NC(=O)c1cc(-c2cc(Cl)c(C)cc2O)n[nH]1 72238529 ZIJWCHJFOKKGHT-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB COc1ccc(-c2csc(CNC(=O)[C@@H]3C[C@@H]3c3ccccc3)n2)cc1 72264931 CQXATNFFOYFHBV-QZTJIDSGSA-N 364.470 4.239 0 40 FIAB Clc1ccccc1CNc1ncc(-c2cnccn2)c(-c2ccco2)n1 72338678 QUMYKZNZIDJMSH-UHFFFAOYSA-N 363.808 4.459 0 40 FIAB O=C(NCc1cnn(-c2ccccc2)c1)N[C@H]1CCc2c(Cl)cccc21 84576645 SDHJRIRPXYHVSX-IBGZPJMESA-N 366.852 4.012 0 40 FIAB CC(C)(C)OC(=O)NC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 94993179 ZEPORLSJGICBGQ-UHFFFAOYSA-N 374.403 4.074 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3c(C)cnn3-c3ccccc3)cc2)n1 95964530 OCCJPWSKSBLQEK-UHFFFAOYSA-N 371.444 4.236 0 40 FIAB CN(C(=O)c1ccc2ccccc2n1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 97112079 UWSWSPFTXYZBJW-NQIIRXRSSA-N 364.420 4.366 0 40 FIAB COCCCNC(=O)CC12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 100864058 XQYFAZOHBWWVOA-WSUXWNOTSA-N 355.522 4.376 0 40 FIAB Cc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 102575514 PAJBLMNPLBXPTD-BTYIYWSLSA-N 372.428 4.357 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)CC(C)(C)O2 218973446 ONOPFGVITQDURP-DNVCBOLYSA-N 369.461 4.190 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)c1C 219312405 JMZWEIBSONTDTD-IBGZPJMESA-N 366.505 4.030 0 40 FIAB Cc1cccc(CSCCNC(=O)CSCc2ccccc2F)c1 222700000 KRKSZSZKNQXJHM-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 222879079 KFDNVGWYPOHCFC-LJQANCHMSA-N 355.434 4.140 0 40 FIAB COc1ccc(CSCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 224855750 VIAYPNTVIRGYHA-UHFFFAOYSA-N 371.380 4.466 0 40 FIAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1cccc(Br)c1 225424362 ZGAFNADBVKPIOJ-UHFFFAOYSA-N 360.255 4.011 0 40 FIAB CCc1ccc2c(c1)C(=O)CC1(CCN(Cc3ccccc3F)CC1)O2 225817567 CPMUREIHAVBJPP-UHFFFAOYSA-N 353.437 4.388 0 40 FIAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(Br)c(N)c3)o2)C1 226305020 QWDXVCRHBYGQCZ-LLVKDONJSA-N 363.255 4.163 0 40 FIAB O=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 230041112 XGQJJHMAEVRMPC-QIJZPMMNSA-N 351.494 4.114 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 575620933 MVAIJYCVGHRZEP-ZDUSSCGKSA-N 373.499 4.013 0 40 FIAB CC1CCN(C(=O)c2cnc(Nc3ccccc3)nc2C(F)(F)F)CC1 650992878 VMWBXTQTWOUSFF-UHFFFAOYSA-N 364.371 4.111 0 40 FIAB CCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)c1 680901 UTTYANGMUUNYQT-UHFFFAOYSA-N 371.487 4.130 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccccn1 792636 IEGVCSINSHIKNC-NRFANRHFSA-N 373.456 4.150 0 40 FIAB O=C1N=C(O)/C(=C/c2cccc3ccccc23)C(=O)N1c1ccc(O)cc1 1173403 VZLRRACTUSPWHM-PDGQHHTCSA-N 358.353 4.052 0 40 FIAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nc2C)cc1 1385703 IGQXXPHGFFVSKC-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB Cc1cccc(C)c1NC(=O)C1(NC(=O)c2ccccc2O)CCCCC1 1511143 JKQHUUOVTOUATK-UHFFFAOYSA-N 366.461 4.080 0 40 FIAB CCOC(=O)c1cnc(SC)nc1Nc1cccc(C(F)(F)F)c1 1644887 DIFPCMCAVPQNBD-UHFFFAOYSA-N 357.357 4.138 0 40 FIAB Cc1cccc2c(Cc3nn4c(-c5ccc(F)cc5)nnc4s3)noc12 2183273 FCKRBRRJRAHWDS-UHFFFAOYSA-N 365.393 4.032 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2cccs2)cs1 2199938 KAXBVJGKJYZNRV-HNNXBMFYSA-N 374.443 4.170 0 40 FIAB Cc1nnc(SCc2nnc(-c3cccs3)o2)n1Cc1ccccc1 3332587 ZTCXNQOIWFVKOO-UHFFFAOYSA-N 369.475 4.039 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c2c1 3493612 JMFPWQGXQPDLME-UHFFFAOYSA-N 361.854 4.264 0 40 FIAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 4385235 AAPQOZAZHFXXBL-AWEZNQCLSA-N 372.852 4.039 0 40 FIAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(F)cc3)nn2)s1 4392217 YRDXMEHWIXPSIN-UHFFFAOYSA-N 374.466 4.087 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2ccccc21 4484491 XFCUVSAUEDYMSH-CYBMUJFWSA-N 355.463 4.184 0 40 FIAB Cc1n[nH]c2c1[C@H](c1cccs1)N(c1ccc(Br)cc1)C2=O 4625148 IHFACDUIWLZXIB-HNNXBMFYSA-N 374.263 4.292 0 40 FIAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)C1 5795169 XSGRTWSUPRQSSH-CQSZACIVSA-N 373.522 4.385 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 6713339 GUJXLNAOJQJGAN-LBPRGKRZSA-N 356.447 4.056 0 40 FIAB CCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1OCC 6969762 LFVNBKOSRZCDFL-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB CC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)cc1C 7471336 XUVAAOSHPASWQZ-UHFFFAOYSA-N 372.515 4.362 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1)c1cccs1 7496419 PISRUCYTWHAEDH-GFCCVEGCSA-N 356.413 4.076 0 40 FIAB COCCNc1oc2c(c1-c1ccc(OC)cc1)c(=O)oc1ccccc12 7636149 XPGAXWJBZWDTCD-UHFFFAOYSA-N 365.385 4.273 0 40 FIAB COc1ccc(OC)c(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c1 7643828 FECVKSWVFDKJEI-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB CCc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)C(C(=O)OC)=C2C)cc1 8085644 ROWXTJWVLGOXMS-UYRXBGFRSA-N 365.404 4.265 0 40 FIAB Nc1nc(CSc2ccccc2Cl)nc(Nc2ccc(F)cc2)n1 8540099 GVVCNXXTJDTOGN-UHFFFAOYSA-N 361.833 4.282 0 40 FIAB C[C@@H](Sc1nc2ccsc2c(=O)n1C)C(=O)c1ccc(Cl)cc1 9114330 QRMIAZIASLNIPO-SECBINFHSA-N 364.879 4.012 0 40 FIAB CCc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 9141398 DDWWANNWCFFKTL-UHFFFAOYSA-N 360.392 4.374 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2ccc(F)c(Cl)c2)c(F)c1F 9141674 FQTDVLLRLKLEQY-UHFFFAOYSA-N 351.658 4.296 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(Cl)cc1)c1cccc(F)c1 9317015 RUIFPGNIYPNLHA-MRXNPFEDSA-N 358.804 4.124 0 40 FIAB Cc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 10507924 SSWWHMPXNKXYPH-UHFFFAOYSA-N 358.445 4.379 0 40 FIAB CCCC(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](CC)N2 12242087 MXPRXKBFEKCESF-KWCYVHTRSA-N 358.408 4.044 0 40 FIAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Br 12362942 NTTBMJIADQIFRG-IHRRRGAJSA-N 354.288 4.257 0 40 FIAB COc1ccc(CNCc2ccc(OCc3cn4ccccc4n3)cc2)cc1 12541045 WYASGWKGRPKXLA-UHFFFAOYSA-N 373.456 4.212 0 40 FIAB CCOc1c(Br)cc(/C=C2/C(=O)Nc3ccccc32)cc1OC 13112889 DJCBQCZAMGBIHF-MDWZMJQESA-N 374.234 4.349 0 40 FIAB CCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccnc2)s1 13510124 OAMKRICYCPVHQW-UHFFFAOYSA-N 356.426 4.186 0 40 FIAB Fc1ccccc1CN(Cn1nc(-c2ccncc2)oc1=S)C1CC1 14139364 LKUINTWHRVSRBD-UHFFFAOYSA-N 356.426 4.029 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 14257652 OKIMYBSAZPSRQN-UHFFFAOYSA-N 355.488 4.348 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 16780161 VGDSWSFOWLKSEE-ZDUSSCGKSA-N 353.871 4.087 0 40 FIAB C/C=C/c1ccc(OCC(=O)Nc2ccccc2N2CCCC2)c(OC)c1 18839549 IUWMOPLFQMCEML-FPYGCLRLSA-N 366.461 4.346 0 40 FIAB Cn1nc([C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 19289487 XIFHYEVXMLBKIU-AWEZNQCLSA-N 358.848 4.140 0 40 FIAB Cc1c(NC(=S)NC(=O)C(C)C)cccc1-c1nc2ccccc2o1 21596306 RGQKRKDJHDVANL-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1C 21800646 QAJLKWLXDGUOIY-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB O=C(OCc1nc2ccccc2s1)c1ccc(NC(=O)C2CC2)cc1 24234880 COEAQMISZJWFFF-UHFFFAOYSA-N 352.415 4.002 0 40 FIAB Cc1ccc(NC(=O)c2nnc(CSc3nc(C)cs3)s2)cc1 25059515 KFQBUFVMRHEWQL-UHFFFAOYSA-N 362.505 4.156 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 27910504 SDFMBCGLSMTKLR-JOCHJYFZSA-N 358.441 4.271 0 40 FIAB COc1ccc(Cn2nccc2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 28292890 UHKHONUUIAMAAE-UHFFFAOYSA-N 365.477 4.095 0 40 FIAB CC(C)c1nc2oc(C(=O)N3CCCCC3)c(N)c2c2c1COC(C)(C)C2 31819401 MIFHLRQUEAOMAM-UHFFFAOYSA-N 371.481 4.011 0 40 FIAB Clc1cccc(Cl)c1Cc1nn2c(-c3ccco3)nnc2s1 32097355 QIHZNJPJIDYSMF-UHFFFAOYSA-N 351.218 4.343 0 40 FIAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2 35289806 AHJHZVDIVFVXOM-SEJPIABJSA-N 364.489 4.011 0 40 FIAB CC(C)n1ccc(NC(=O)c2cc(C3CC3)nc3onc(C4CC4)c23)n1 36617403 JSTWESYKPZVYQI-UHFFFAOYSA-N 351.410 4.007 0 40 FIAB CCn1cc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)c(C)n1 36618595 WUWNWJWSQZPCET-UHFFFAOYSA-N 361.371 4.299 0 40 FIAB O=C(c1cc2ccccc2[nH]1)N1CCC(Cn2cnc3ccccc32)CC1 36708701 LJZKWYMIIHJJPH-UHFFFAOYSA-N 358.445 4.070 0 40 FIAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3N)n2)cc1 38486898 JSYBOMWDYWBLAI-UHFFFAOYSA-N 351.410 4.088 0 40 FIAB CCOc1ccccc1CNC(=O)CCc1ccc(OCC)c(OCC)c1 38756094 VGQOXZSGTUDWLC-UHFFFAOYSA-N 371.477 4.132 0 40 FIAB Cc1cc(C(=O)Nc2nnc(-c3ccccc3)s2)c2ccc(F)cc2n1 40073781 ADEZSHDATBGWLW-UHFFFAOYSA-N 364.405 4.453 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@@H]3c2ccsc2)c1 40288429 NVXPKUQABYTOTD-CYBMUJFWSA-N 355.419 4.075 0 40 FIAB CCOc1ccccc1CNC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478407 YHYRAPFUDGZWJA-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccncc1)CO3 57122036 ZNAAHJIXYJIUNT-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB biogenic CCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1OCCC 72414218 DVZVDGDOOBZBFH-WBVHZDCISA-N 369.527 4.121 0 40 FIAB CC(C)(C)c1nc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)cs1 81258639 LZFJLQBMQOEDHQ-HNNXBMFYSA-N 366.490 4.081 0 40 FIAB COc1ccc([C@H]2CCCN2c2cnn(C(C)(C)C)c(=O)c2Cl)cc1 84325464 QXEZOTLHVPAFEW-OAHLLOKOSA-N 361.873 4.002 0 40 FIAB O=C(c1ccc(NCc2cc(Cl)cc3c2OCOC3)cc1)N1CCCC1 84387815 NAXOJQNGXVTKDL-UHFFFAOYSA-N 372.852 4.055 0 40 FIAB O=C(Nc1nc(-c2c(F)cccc2F)co1)C1=Cc2ccccc2OC1 84579368 VRZXJKICOVTAPR-UHFFFAOYSA-N 354.312 4.034 0 40 FIAB Cc1cc(N(Cc2ccccc2)C[C@@H]2CCCO2)nc(-c2ccccn2)n1 89600685 NIBGOQARKOVHLB-IBGZPJMESA-N 360.461 4.033 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cn1 95369233 GFUKXKGFFZIJCJ-QGZVFWFLSA-N 367.449 4.087 0 40 FIAB C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 95943501 HXVIOPYTQXPYCV-DNVCBOLYSA-N 353.466 4.195 0 40 FIAB COc1cccc([C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)OC)c1 96389987 VYPXQVTZYFPPNJ-QFIPXVFZSA-N 361.441 4.480 0 40 FIAB O=C(Nc1ccccc1Br)c1cc(-c2ccc(F)cc2)on1 123011192 PWPAUPIFWHEOAB-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB Cc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 222829285 RUCCGSVHKKPENT-GOSISDBHSA-N 353.462 4.409 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)COc2ccccc2C)cc1 222897749 SHZSHCYAJDOLOV-FXAWDEMLSA-N 355.478 4.299 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(F)cc2)cn1 223947683 JOSQILOZSMLTPP-CQSZACIVSA-N 358.486 4.086 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)C1(c2ccccc2)CCCC1 225354717 SXRGYWRMUUKLPK-UHFFFAOYSA-N 359.473 4.309 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225693261 YYFZWIUYGHGWEY-NRFANRHFSA-N 362.514 4.085 0 40 FIAB CCOc1cccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)c1 225704270 HJVPPYLTOCYHRZ-LJQANCHMSA-N 356.491 4.458 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccccc2Cl)no1)c1ccc(F)cc1 225812220 LKBVRRLAGZAFDG-LBPRGKRZSA-N 373.815 4.339 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 225894464 MFDBXKZNPNVCIN-UHFFFAOYSA-N 365.433 4.091 0 40 FIAB Cc1ccc(OCC2(O)CCN(Cc3ccc4[nH]ccc4c3)CC2)c(C)c1 257278290 OBQUHPVNXGINAM-UHFFFAOYSA-N 364.489 4.191 0 40 FIAB CC(C)n1ccc2c1CN(CC1CC1)Cc1cn(Cc3ccccn3)nc1-2 306126154 DOMOEVFOBMLXOC-UHFFFAOYSA-N 361.493 4.101 0 40 FIAB Cc1[nH]nc(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1C 331546220 NOIGRJPOCXGCHH-HUUCEWRRSA-N 351.372 4.111 0 40 FIAB CCOc1ccc(NC(=O)NC[C@H](OC)c2cc3ccccc3o2)cc1 390829167 DDUJWEQHONZFEF-IBGZPJMESA-N 354.406 4.341 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(I)cc2F)cc1C 408620004 GJQNRPGLICIZPK-UHFFFAOYSA-N 369.177 4.299 0 40 FIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 408706295 ZLAFPOJMXGHTSL-INIZCTEOSA-N 355.478 4.419 0 40 FIAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408842923 LWZSDURDFVWGIQ-CPNJWEJPSA-N 361.351 4.194 0 40 FIAB CCCNC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408976562 GFFOCEMHNDVBFG-UHFFFAOYSA-N 360.421 4.152 0 40 FIAB COc1ccc2[nH]c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cc2c1 524733766 NTPTZSXZACMOQZ-LJQANCHMSA-N 359.429 4.465 0 40 FIAB Cc1ccc(C2(NC(=O)[C@H](CC(C)C)NCC(F)(F)F)CCC2)cc1 1164590366 RUDOEBSIKLTAGP-INIZCTEOSA-N 356.432 4.057 0 40 FIAB CC(=O)c1c(C)cc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)cc1C 1176407913 OSOXQGMBRFBZJZ-OAQYLSRUSA-N 350.418 4.028 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 658125 PSCVAWZAUBUCTC-CQSZACIVSA-N 372.515 4.266 0 40 FIAB COc1cc(Cl)c(S(=O)(=O)Oc2ccc(C)cc2C)cc1Cl 2182588 GWOJZVAAZDJFTI-UHFFFAOYSA-N 361.246 4.387 0 40 FIAB O=C(Nc1nnc(COc2ccccc2Cl)s1)c1ccc(F)cc1 2308972 ROHNSHPRUWHAEZ-UHFFFAOYSA-N 363.801 4.162 0 40 FIAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2F)cc1 2723205 XTWXQPYXTAVSFP-UHFFFAOYSA-N 371.437 4.141 0 40 FIAB O=C(COC(=O)CCSc1ccccc1)Nc1ccc(F)cc1Cl 3263148 NZAAYDRJRWJJBD-UHFFFAOYSA-N 367.829 4.143 0 40 FIAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccc(Cl)s1 3311253 FCAHBKGHABCJQY-UHFFFAOYSA-N 356.152 4.118 0 40 FIAB Cc1cccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 3321594 OGDCHNWBNZKOKU-UHFFFAOYSA-N 362.216 4.263 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 3550404 FISSCDHZWPTBHB-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)c2cccs2)c(Br)c1 3613365 VRLUDDYQGSVRKL-UHFFFAOYSA-N 352.253 4.421 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(OCC)cc1 4162646 FMHFVVSVPGETEX-UHFFFAOYSA-N 367.401 4.189 0 40 FIAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)c1 4315637 DLTNHXVHWPCPMZ-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB COc1ccc(OC)c([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1 4571547 NXJHHZZPLVRTHF-BMLIUANNSA-N 358.463 4.319 0 40 FIAB CCC(=O)c1ccc(Br)cc1NC(=O)c1ccc(OC)cc1 4778399 RQERJTUMBQEQRI-UHFFFAOYSA-N 362.223 4.303 0 40 FIAB CCn1c(SCc2cccc(F)c2)nc2c([nH]c3ccccc32)c1=O 5106558 WGKLNMJBSDAGCH-UHFFFAOYSA-N 353.422 4.329 0 40 FIAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1c(F)cccc1Cl 5303260 LUQVYNVVWQLTDF-UHFFFAOYSA-N 361.800 4.166 0 40 FIAB Cc1cc(NC(=O)c2cccc(Br)c2)ccc1N1CCCC1=O 5440022 LPDANEMWISTBGC-UHFFFAOYSA-N 373.250 4.137 0 40 FIAB CCn1c([C@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n[nH]c1=S 6226030 VJCJDZKOHWPANG-GFCCVEGCSA-N 373.309 4.394 0 40 FIAB CSc1ccc(COC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 7315860 RKUVVLACOUXHDN-HXUWFJFHSA-N 367.470 4.416 0 40 FIAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 7928701 VTLUSCDIEHSRNM-LJQANCHMSA-N 357.409 4.312 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8050093 MNBQGOKAZOTRGQ-DLBZAZTESA-N 368.477 4.238 0 40 FIAB COc1ccccc1CCNC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 8133313 QCUOKIHOUKMYSP-UHFFFAOYSA-N 363.413 4.130 0 40 FIAB COc1cccc(-c2noc(COc3ccc(C(F)(F)F)cc3)n2)c1 8186646 SETQIWTUXDHQSF-UHFFFAOYSA-N 350.296 4.343 0 40 FIAB O=C(NCc1ccccc1Cl)c1ccc(OCc2cscn2)cc1 8273271 SQKQXTHBHOEWOQ-UHFFFAOYSA-N 358.850 4.306 0 40 FIAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2cc(Cl)ccc2C)n1 8476793 SLARKXJWDMNLEZ-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB COc1cccc(OC)c1OCCCCN1CCCC[C@H]1c1cccnc1 8739614 APOOIRABIOCBJH-IBGZPJMESA-N 370.493 4.485 0 40 FIAB biogenic O=C(Nc1cc2c(cc1Br)OCCO2)c1cc2ccccc2o1 8752220 RTIWIAOWBQYAKF-UHFFFAOYSA-N 374.190 4.219 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)N3CCCCCC3)s2)cc1 8771253 CMFQBLPOGIQWRB-UHFFFAOYSA-N 372.494 4.420 0 40 FIAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3O)cc12 9364374 ZYRORHBBPAMONV-UHFFFAOYSA-N 363.442 4.412 0 40 FIAB CC(=O)N[C@H](C)c1ccc(C2=NN=C(Nc3ccccc3C)SC2)cc1 9871828 LQSJYQWCBZAIHJ-CQSZACIVSA-N 366.490 4.111 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1ccco1 9883595 AFGUOSMULMIEOW-XOBRGWDASA-N 361.397 4.225 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1 10260880 LQNVDWXHEGWUFU-MRXNPFEDSA-N 358.804 4.124 0 40 FIAB Cc1cc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(C)no3)nc2c1 12422335 UZQCGVLMFFOCGL-AWEZNQCLSA-N 371.462 4.035 0 40 FIAB CCCSc1nc2ccccc2n1CC(=O)c1ccc(OC)c(OC)c1 12520443 ROUISKQPIIWJDT-UHFFFAOYSA-N 370.474 4.439 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCC3)cc2)c1 13632428 CTIBKPGHXMISSU-UHFFFAOYSA-N 366.461 4.020 0 40 FIAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC3CCCC3)c12 13961385 VFYWWFRTIPXGTH-UHFFFAOYSA-N 360.461 4.279 0 40 FIAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1OC 14654639 AYNMXKIEVZCAAW-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc2oc3ccccc3c2c1 14906353 LQNIDWLMKXODFN-UHFFFAOYSA-N 369.380 4.004 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccccc3OC[C@H]3CCCO3)cc2s1 16468520 FAZYUIVCFJCYQI-OAHLLOKOSA-N 368.458 4.415 0 40 FIAB COc1ccc(NC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)cc1 16746048 PKQUGMXYCUQOKU-GOSISDBHSA-N 367.426 4.294 0 40 FIAB CCOc1ccc(C(=O)NC(=S)Nc2cccc3c(O)cccc23)cc1 17075249 RPKSUBXHSHNTFY-UHFFFAOYSA-N 366.442 4.071 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H]1CC=CCC1 17974243 WENLKMBYBZOKKA-LLVKDONJSA-N 374.790 4.112 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 18080734 CMRAOXSNMWDXHT-UHFFFAOYSA-N 368.433 4.412 0 40 FIAB Cc1ccccc1C1(O)CCN(Cc2c(C(C)C)[nH]c3ncccc23)CC1 19236916 HQMNQIBQTKRPCI-UHFFFAOYSA-N 363.505 4.478 0 40 FIAB Cc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)cs1 19571946 YLZGNBPJWIZOGR-ZCNNSNEGSA-N 372.509 4.336 0 40 FIAB Cc1nc(NCc2cccc(F)c2)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 19717877 CAXVLIDJSSZXPI-CYBMUJFWSA-N 367.472 4.462 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4cccc(F)c4)nnc3s2)cc1 19909949 MIUACQVEAIIIGW-JXMROGBWSA-N 352.394 4.171 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 21347204 UQRLKRRWWKKJOH-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CCn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)c2cc(Cl)ccc21 22606028 OSNCPSSSUHXQQB-LBPRGKRZSA-N 372.827 4.305 0 40 FIAB CC(C)(C)N[C@@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 25501005 VJKQDRBPEMCVGJ-LLVKDONJSA-N 358.096 4.154 0 40 FIAB O=C1C[C@@H](C(=O)Nc2cccc(OC3CCCC3)c2)c2ccccc2N1 29021897 FJZRFPHOEDBISM-GOSISDBHSA-N 350.418 4.073 0 40 FIAB O=C(NCC1CC1)c1cc(Br)ccc1OCc1ccccc1 29792040 ZZMUUIFTHFHHMF-UHFFFAOYSA-N 360.251 4.168 0 40 FIAB C[C@H](NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1 32841391 JVCBOFCEETXWSU-INIZCTEOSA-N 351.446 4.147 0 40 FIAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1 36635879 DAQYJSQICGIPKG-OAHLLOKOSA-N 363.244 4.300 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)c(C)c1 38756779 XVTFDUGNWAASAR-UHFFFAOYSA-N 361.438 4.183 0 40 FIAB O=S(=O)(CCCc1ccccc1)Cc1coc(-c2ccc(F)cc2)n1 40051434 NVLJJWUQKDTSSC-UHFFFAOYSA-N 359.422 4.028 0 40 FIAB COc1ccc(Cc2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)o2)cc1 40068572 BIRHXIPGXSPQNP-LLVKDONJSA-N 374.466 4.203 0 40 FIAB O=C(Nc1cccc(CNc2ncnc3sccc23)c1)c1ccco1 48263080 SISBUJNIUVPAMG-UHFFFAOYSA-N 350.403 4.149 0 40 FIAB COc1ccc(CNC(=O)CN[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 57383321 ZFWYNXFALQQWRS-GOSISDBHSA-N 374.484 4.329 0 40 FIAB C[C@@H](c1ccccn1)N(C(=O)COc1cccc(C(F)(F)F)c1)C1CC1 57509635 DFWARXOKGDZBSL-ZDUSSCGKSA-N 364.367 4.231 0 40 FIAB FC(F)(F)c1cccc(-c2noc(Cc3nnc(-c4ccccc4)o3)n2)c1 65185346 JTHZKJOEDZEWGQ-UHFFFAOYSA-N 372.306 4.396 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C(F)(F)F)c1 71806523 VZKAPWSHZWQIIA-UHFFFAOYSA-N 357.759 4.396 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3cccn3Cc3cccs3)sc2C1 71819818 GSTDUQHOELMICA-GFCCVEGCSA-N 357.504 4.432 0 40 FIAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(C)cc3)s2)cc1 73240597 WXTYSLARVQHQFJ-KPKJPENVSA-N 351.431 4.174 0 40 FIAB O=C(c1ccnc(OC2CCCCC2)c1)N1CCO[C@@H](c2ccsc2)C1 92959846 CHHIXAOQZKBRHU-GOSISDBHSA-N 372.490 4.068 0 40 FIAB CO[C@](C)(CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1F 96123495 GRXLBTQNQMLKKK-QGZVFWFLSA-N 355.331 4.136 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccsc2)CC1 97094350 AONSQNIEJRTTSH-UHFFFAOYSA-N 369.412 4.117 0 40 FIAB COc1ccc(-n2ncc3c2C[C@@H]2CC[C@@H]3N2Cc2ccccc2F)cc1 100222730 HYGFABWNHCPDCR-UWJYYQICSA-N 363.436 4.282 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 109032622 PMFUBIXVSYKVSG-DWRORGKVSA-N 369.509 4.177 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)s1 223331049 IVVBTKXFZDJSIX-IAGOWNOFSA-N 355.488 4.217 0 40 FIAB COc1ccc(OCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 223384669 VOMYBKJLQNDBKD-VGOFMYFVSA-N 353.462 4.201 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC)c(OC)c1 224350527 TZPPFGBHTNSHKG-IBGZPJMESA-N 369.461 4.379 0 40 FIAB Cc1ccccc1-c1noc(CN(C)C(=S)Nc2ccc(F)cc2)n1 225461286 IDTAOIYZBINCDX-UHFFFAOYSA-N 356.426 4.013 0 40 FIAB CO[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(Cl)s1 225703611 DCGQPXCZCRIZKA-ZDUSSCGKSA-N 353.846 4.076 0 40 FIAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1C 225759047 BOSGUDKZRYWSAU-GOSISDBHSA-N 355.507 4.135 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2cccc(Cl)c2C)c1 225765992 WOMAYRYRKGVNGT-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(OC(C)C)cc1 225787581 LGWNRLJQELKFCF-HNNXBMFYSA-N 374.506 4.236 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ccnc2ncc(-c3ccc(F)cc3)n12 257292337 QLAMFNNIKNPNBA-MRXNPFEDSA-N 366.440 4.245 0 40 FIAB O=C(C[C@H]1C=CCC1)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257326547 WXPOWOIDWMQBRJ-KRWDZBQOSA-N 362.477 4.283 0 40 FIAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 257367436 QZIWBCHUTHBEAT-MCBQPRCJSA-N 365.521 4.225 0 40 FIAB O=C(NC1(c2cccs2)CCOCC1)c1ccc(Cl)c(Cl)c1 390828872 VAQGFEAMKNWXGZ-UHFFFAOYSA-N 356.274 4.491 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccccc1Cl 408703396 QUZZMVYBZGWQDC-CYBMUJFWSA-N 367.873 4.296 0 40 FIAB COc1cc(C)c(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1C(C)C 409077278 DPKNHZAPPIATLU-PDGQHHTCSA-N 356.466 4.352 0 40 FIAB CCCn1c(C)c(C(=O)N2CC[C@@]3(CCCOC3)C2)c2cc(OC)ccc21 585081177 LITHCAOZTGUIKR-QFIPXVFZSA-N 370.493 4.011 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@]3(CCCN3Cc3ccc(F)cc3)CC2)o1 585100413 RMVUSEMSJPKBAI-QFIPXVFZSA-N 370.468 4.388 0 40 FIAB O=C(NCC[C@H]1CC1(F)F)Nc1ncc(Cc2ccc(F)cc2)s1 621393201 IQENJMLQUCJQMJ-NSHDSACASA-N 355.385 4.040 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)CCc1nc2ccccc2o1 680495544 XRWGJIHUWRHCFA-GOSISDBHSA-N 351.450 4.243 0 40 FIAB C[C@H](Cc1csc2ccccc12)NC(=O)c1cccc2c1OCCO2 1889044882 RHUUTEKXSAEEGP-CYBMUJFWSA-N 353.443 4.034 0 40 FIAB COc1cccc(NC(=O)Cn2cc(C(=O)C(C)C)c3ccccc32)c1 811919 DPAKZXIOHBEWDG-UHFFFAOYSA-N 350.418 4.127 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(F)c1)OCO3 930012 LDYUMEASYYQLFG-UHFFFAOYSA-N 370.405 4.142 0 40 FIAB O=C1C[C@@H](c2c[nH]c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1 1392508 NRKAFBFGDDEYJC-AWEZNQCLSA-N 358.319 4.234 0 40 FIAB Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3ccc(F)cc3)cs2)n1 1402120 CZJYXRZKTKWDLU-UHFFFAOYSA-N 370.331 4.047 0 40 FIAB Cc1cc(Cl)cc(Br)c1OCCSc1ncccn1 2191214 UVCQWGNMSUBHHJ-UHFFFAOYSA-N 359.676 4.372 0 40 FIAB CCN(c1ccccc1)c1nc2nonc2nc1N[C@@H](C)c1ccccc1 2336790 XCRYNLJLPGOHHY-AWEZNQCLSA-N 360.421 4.344 0 40 FIAB COc1ccc(Nc2c3c4c(cccc4[nH]c2=O)C(=O)c2ccccc2-3)cc1 2361996 YTIARIJWCIYGIC-UHFFFAOYSA-N 368.392 4.492 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(c5ccccc5)CC4)c23)C1 2679642 UVYPWWVAKXCSGK-OAHLLOKOSA-N 364.518 4.143 0 40 FIAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2)cc1 2723202 UECPXPMUHPUHPA-UHFFFAOYSA-N 353.447 4.002 0 40 FIAB O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 3188491 QPKFCXWJIXKZHC-DHZHZOJOSA-N 369.218 4.400 0 40 FIAB in-vitro Cc1ccc(-c2nc(CSc3nnc4nc(C)cc(C)n34)cs2)cc1 3368250 XHAAFXKHNQKSTH-UHFFFAOYSA-N 367.503 4.465 0 40 FIAB Cn1c2c(s/c1=N\C(=O)c1cccc(Cl)c1)CCc1ccccc1-2 4834975 IJSUQLMPIMUXDS-VZCXRCSSSA-N 354.862 4.247 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 5441605 GYGFILTUJDHSNE-UHFFFAOYSA-N 352.434 4.243 0 40 FIAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c1 5778495 OIMIJSHZVSSLPV-KPKJPENVSA-N 353.418 4.014 0 40 FIAB Cc1[nH]c2ccc(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)cc2c1C 6758935 PXMFZXKYRCXXTG-FQEVSTJZSA-N 369.896 4.471 0 40 FIAB COc1cccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)c(C)s2)c1 7109590 SWVMYOZIZQMTBG-UHFFFAOYSA-N 374.487 4.166 0 40 FIAB C[C@@H](OC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)N(C)C1CCCCC1 7737864 FNXQTMWVSVASME-SNVBAGLBSA-N 374.264 4.035 0 40 FIAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OC 7787125 JRQPDAJHEDMJGJ-XNTDXEJSSA-N 357.793 4.092 0 40 FIAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1Br 8088649 DOVXGKJPUKXJFN-LLVKDONJSA-N 368.658 4.359 0 40 FIAB Cn1c(Cc2cccs2)nnc1SCc1cc(-c2ccco2)on1 8280237 DBEFQUUUCPSBMT-UHFFFAOYSA-N 358.448 4.008 0 40 FIAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Br)cc1 12788024 DMNDUPZFTARMOY-PXAZEXFGSA-N 359.267 4.053 0 40 FIAB O=C(NC[C@@H]1CCCc2ccccc21)c1ccc(F)cc1Br 12941300 QZOGDQGZFNUPDR-ZDUSSCGKSA-N 362.242 4.438 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC[C@@H]2CCCC[C@@H]21 12977640 HGLFRRFOBPATBB-RXVVDRJESA-N 374.488 4.274 0 40 FIAB CC1CCN(Cc2csc(NC(=O)c3cc(Cl)ccc3F)n2)CC1 12993569 PLAODMYGTXWSDM-UHFFFAOYSA-N 367.877 4.420 0 40 FIAB CC[C@@H](/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(C)cc12)C(=O)O 13144886 ONIINDPDHIFBGG-SFAXUQRRSA-N 351.402 4.181 0 40 FIAB Fc1ccc(/C=C/c2nn3c(Cc4cc(F)cc(F)c4)nnc3s2)cc1 20721120 OVFCLNCSHMXTSY-ZZXKWVIFSA-N 372.375 4.364 0 40 FIAB CC(C)c1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1 21123920 GTIQFYNKRHHNMK-UHFFFAOYSA-N 363.446 4.229 0 40 FIAB CCCCC[C@@H](C)NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 21248088 SQQPQJMYWOURAE-OAHLLOKOSA-N 358.482 4.498 0 40 FIAB CCc1ccc(NC(=O)c2ccccc2NC(=O)c2c(C)noc2C)cc1 24032515 MPCWZGICLMASBH-UHFFFAOYSA-N 363.417 4.358 0 40 FIAB Cc1nc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cs1 25727493 UWQZMIPAUASTGN-UHFFFAOYSA-N 369.412 4.252 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c1 27756123 CZELWMLKRHTQJP-UHFFFAOYSA-N 373.792 4.024 0 40 FIAB Cc1cc(C(=O)Nc2ncc(C)s2)c2c(C)nn(-c3ccccc3)c2n1 27934344 ZTFNKVPWJGOTRX-UHFFFAOYSA-N 363.446 4.055 0 40 FIAB Cc1ccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)cc1 32109990 WEFAQEVPHGHHQC-GDNBJRDFSA-N 373.275 4.020 0 40 FIAB CC(C)C(=O)Nc1cccc(NC(=O)c2csc(Br)c2)c1 32816774 YPUZILCGGIGBAL-UHFFFAOYSA-N 367.268 4.357 0 40 FIAB Cc1cccc(OCCNC(=O)CCCc2ncc(-c3ccccc3)o2)c1 32924191 FLCBGRJELJUNIV-UHFFFAOYSA-N 364.445 4.168 0 40 FIAB O=C(CSCc1cc(=O)c2ccccc2[nH]1)Nc1cccc(Cl)c1 33063938 UKFJPDWSGPMPBY-UHFFFAOYSA-N 358.850 4.053 0 40 FIAB CCCn1ccnc1SCc1nc2ccccc2c(C)c1C(=O)OC 40024324 RJNLDMPYXGHJQG-UHFFFAOYSA-N 355.463 4.229 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)N(Cc1cccs1)C[C@H]1CCCO1 43389714 ZNSMNVOWPWCFIE-GOSISDBHSA-N 356.491 4.450 0 40 FIAB CCc1ccc(NC(=O)CSc2ccc(N3CCCCCC3)nn2)cc1 49001659 CSTSOBLBLPREOU-UHFFFAOYSA-N 370.522 4.150 0 40 FIAB COC(=O)N(C)c1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cc1 56450264 CEPYRFRTQQBKHA-UHFFFAOYSA-N 371.824 4.287 0 40 FIAB Cc1nc(CN(C)C(=O)Cc2ccc3c(c2)CCCC3)nc2ccccc12 58343456 QAODWALWCVZRAX-UHFFFAOYSA-N 359.473 4.018 0 40 FIAB COc1ccccc1NC(=O)C1CCN([C@@H]2CCCc3ccccc32)CC1 62582089 VFYPDIKMYIIOSI-OAQYLSRUSA-N 364.489 4.423 0 40 FIAB O=C1Nc2ccccc2S[C@H]1CC(=O)N(CC1CC1)C1CCCCC1 68159239 MVORAYXDHLYJJE-SFHVURJKSA-N 358.507 4.061 0 40 FIAB COc1cccc2cc(C(=O)NC[C@@H](O)c3cccc4ccccc34)oc12 70636033 XDTRPVIWWKMHJI-GOSISDBHSA-N 361.397 4.058 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2CC2)C12CCCCC2 71285234 PQCCFCTUQIKRFY-BEFAXECRSA-N 354.494 4.006 0 40 FIAB O=S(=O)(Nc1cc(Cl)ccc1-n1cccn1)c1ccc(Cl)s1 71977554 SBJXYYDSTBWFBL-UHFFFAOYSA-N 374.274 4.041 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N(CCc1cccs1)Cc1ccoc1 90612337 GUMDMUDTLRVIME-UHFFFAOYSA-N 368.414 4.474 0 40 FIAB CC(C)(C)OC(=O)N1CC2(CCOCC2)c2cc(Br)ccc21 95740471 LKYRVUIMASOGGH-UHFFFAOYSA-N 368.271 4.252 0 40 FIAB in-vitro O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccoc1)CC2 96052526 CVRCGHPNJLUZKH-UHFFFAOYSA-N 372.468 4.360 0 40 FIAB COc1ccc2c(ccn2CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 96115407 NYAFDSNWSNKAMV-UHFFFAOYSA-N 373.456 4.106 0 40 FIAB biogenic CC(C)(C)c1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 97077249 HTXNUXBSPDHYAO-HNNXBMFYSA-N 358.829 4.156 0 40 FIAB Cc1ccc(O)c(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 97840727 LFDWRSDKHWPIAI-UHFFFAOYSA-N 363.295 4.022 0 40 FIAB Cc1c(-c2ccccc2)[nH]c2c(I)cccc2c1=O 128797551 AMXBWLCPZWIGKW-UHFFFAOYSA-N 361.182 4.108 0 40 FIAB CC(C)(C)c1nnc(NC(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)s1 147813479 SAFHQVNIRRKCIO-HUUCEWRRSA-N 374.510 4.125 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cccc(Cl)c2)c2ccccc12 222619229 DGJRCHAXVXOVRW-LBPRGKRZSA-N 357.793 4.189 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C(C)C 222824934 GHJGEJJRNCPCSA-RTBURBONSA-N 356.539 4.462 0 40 FIAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2ccccc2)n1 225203733 NEKFAKJIYIEKGF-UHFFFAOYSA-N 367.453 4.154 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2)c1 225598327 MHAZVVLPIPURTH-UHFFFAOYSA-N 374.531 4.083 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(F)c(Cl)c1 225786525 SCKPIIRNRHGDRN-LLVKDONJSA-N 368.861 4.242 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccccc2Br)S1 260769304 LLQQAKWFFISTAV-XFBWCDHKSA-N 374.307 4.433 0 40 FIAB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 408672625 VQYTXDVYDMONEP-IBGZPJMESA-N 359.425 4.415 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408706734 CWEOFKYYAIUPDS-DYEKYZERSA-N 369.292 4.041 0 40 FIAB COc1ccc(C2(C(=O)N(C)c3nc(C)cs3)CC3(CCC3)C2)cc1 585083824 YFHMXFQMRSWMQV-UHFFFAOYSA-N 356.491 4.325 0 40 FIAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)[C@H]3CCCCO3)c(C(C)(C)C)n2)cc1 679082161 HCZVRJAKFYPZRY-QFBILLFUSA-N 369.509 4.166 0 40 FIAB FC(F)(F)c1cccc(-c2nnnn2-c2cccc(C(F)(F)F)c2)c1 1402895 KFNFEKWPDWJILQ-UHFFFAOYSA-N 358.245 4.367 0 40 FIAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 1459937 FFRWXYWCXZOUAW-CQSZACIVSA-N 372.852 4.119 0 40 FIAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCCCC1 1935742 ZXNMXGFDPDJZGO-UHFFFAOYSA-N 369.515 4.463 0 40 FIAB CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1O 2069763 WKVZITYCXQQVCW-UHFFFAOYSA-N 354.189 4.128 0 40 FIAB COc1ccccc1-c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 2358670 DEOCDDPVWPATJT-LLVKDONJSA-N 350.447 4.139 0 40 FIAB O=C(CSc1ncnc2c1oc1ccccc12)N1CCc2ccccc21 2421013 CHPNQEFBWDVSFK-UHFFFAOYSA-N 361.426 4.057 0 40 FIAB CCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2ccc(C)nc21 2629701 PTLJXGIWEAFFBQ-UHFFFAOYSA-N 357.413 4.130 0 40 FIAB CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cc1Cl 2758519 SJVWGEOVNUKYBK-UHFFFAOYSA-N 363.042 4.225 0 40 FIAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 3239182 FRZXRCVQNYXETR-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 4140322 NDSMUUMNRYBCPP-NLFFAJNJSA-N 361.422 4.410 0 40 FIAB N=c1oc2ccc(Br)cc2cc1C(=O)Nc1ccc(F)cc1 4141137 LSRLKXQJZJBMEX-UHFFFAOYSA-N 361.170 4.066 0 40 FIAB biogenic,in-vitro CCCCC(=O)Nc1c(-c2cccc(OC)c2)c(=O)c2ccccc2n1C 5205811 BKCLJABTEHTQBV-UHFFFAOYSA-N 364.445 4.343 0 40 FIAB CCCCCOc1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1 6321221 KBBBPCPMFAJWMU-UHFFFAOYSA-N 362.451 4.059 0 40 FIAB c1ccc(C2=Nn3c(Cc4cccc5ccccc45)nnc3SC2)cc1 6566213 BBUHOFAFXZAWKZ-UHFFFAOYSA-N 356.454 4.380 0 40 FIAB CC[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 6847762 KILYKFVYOLZGAD-RDTXWAMCSA-N 358.869 4.116 0 40 FIAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1 7236735 UTQQHMRVFXCGDP-CYBMUJFWSA-N 371.462 4.146 0 40 FIAB CCCCn1nc(C)c([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1Cl 7364389 GWMHTYCQPSPPAM-GOSISDBHSA-N 358.873 4.374 0 40 FIAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc2c(c1)CCC2 7990535 GOJNQOSCLWECEY-UHFFFAOYSA-N 361.445 4.276 0 40 FIAB COc1ccc(CCNC(=O)c2cc3c(F)cccc3s2)cc1OC 8036371 FUHYVVNCWFDQFD-UHFFFAOYSA-N 359.422 4.030 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 8050470 DAATXLAKSMGWNK-MRXNPFEDSA-N 368.477 4.238 0 40 FIAB O=C(CSc1nccn1Cc1ccccc1)N1CCCc2ccccc21 8135498 NTAABODOIQIILT-UHFFFAOYSA-N 363.486 4.003 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3cc(Cl)ccc3o2)cc1 8246431 DYMARGSTXQFBPH-UHFFFAOYSA-N 356.809 4.105 0 40 FIAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)c(Cl)c1 8286799 QCPADEQJERCWKV-AWEZNQCLSA-N 367.257 4.435 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)c(C)c1 8915664 NHVNOCMETFBZHG-UHFFFAOYSA-N 371.824 4.333 0 40 FIAB COc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1 9074438 DQLGNDAEGGKRQG-UHFFFAOYSA-N 362.368 4.055 0 40 FIAB Cc1ccc2cc(CN(CC(C)C)C(=O)c3cccs3)c(=O)[nH]c2c1 9236800 AUNVGSCSJCLSER-UHFFFAOYSA-N 354.475 4.196 0 40 FIAB Cc1ccc(SCCCC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10217898 LASFWWNHITXLRX-UHFFFAOYSA-N 368.458 4.351 0 40 FIAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c(Br)c1 10411824 FEYHRYLIVFBHAK-UHFFFAOYSA-N 362.223 4.058 0 40 FIAB Cc1cc(OCC(=O)Nc2nc(-c3ccccc3)ns2)ccc1Cl 11914946 OPOWEZOOBGSGIP-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB CC(=O)NC1(c2ccccc2F)CCN(C/C(C)=C/c2ccccc2)CC1 12219344 YGYPCGVIEOHFHL-FBMGVBCBSA-N 366.480 4.356 0 40 FIAB CCCSc1nnc(SCC(=O)N[C@H](C)c2ccccc2C)s1 12918835 OPGCBRLVARIJFU-GFCCVEGCSA-N 367.565 4.318 0 40 FIAB CC(C)[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 12946931 QLYWFBPALBPHNY-QFIPXVFZSA-N 368.452 4.009 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)o2)cc1 12999578 WHDNGKFKKQYUBB-CYBMUJFWSA-N 350.212 4.028 0 40 FIAB C[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1c(Cl)cccc1Cl 13991886 ZDZJDMHPLBHLQB-LBPRGKRZSA-N 368.260 4.105 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14235690 WKDVOSINHSVWIW-XJKSGUPXSA-N 369.431 4.012 0 40 FIAB CC(=O)c1csc(NC(=O)CCCOc2ccc(Cl)cc2C)n1 15200468 ZTHBMNZQWLSQKM-UHFFFAOYSA-N 352.843 4.105 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-n2cncn2)cc1 15630909 ZVGJADQULAZXGN-UHFFFAOYSA-N 356.385 4.312 0 40 FIAB CCCN1CCN([C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)CC1 19359843 HQAFIUQKUPWCCZ-JOCHJYFZSA-N 365.521 4.011 0 40 FIAB CCOCCN1CCN([C@@H]2c3ccccc3CSc3ccccc32)CC1 19369493 ZGIUFOVBQWVHDX-JOCHJYFZSA-N 368.546 4.036 0 40 FIAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccccc1Cn1ccnc1 19498290 BAFLHSVNEPUKFN-MRXNPFEDSA-N 370.456 4.172 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20451466 YAWARCUBOVDMAF-WOJBJXKFSA-N 360.542 4.150 0 40 FIAB Cc1ccccc1-n1ccnc1S[C@H](C(=O)N(C)C)c1ccccc1 26704056 GAYPPZNXNNDGCN-SFHVURJKSA-N 351.475 4.102 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3C)n2)cc1 27795793 MQNSVSXTJLTYTJ-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB C[C@@H](N(C)S(=O)(=O)c1ccc(Br)cc1Cl)C(C)(C)C 28046086 MXRTWGXVJIIVTR-SECBINFHSA-N 368.724 4.158 0 40 FIAB CCCc1n[nH]c(=S)n1CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 30993215 BAOJRCBODHUTOP-UHFFFAOYSA-N 364.474 4.103 0 40 FIAB Cc1cccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)c1 31773490 ZGLXAAKJGGGPSI-HXUWFJFHSA-N 358.526 4.021 0 40 FIAB C[C@@H](NC(=O)c1cc(Br)ccc1F)c1ccc(F)c(F)c1 32983571 NMRJBJPKMCLWLF-MRVPVSSYSA-N 358.157 4.357 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2Oc2ccccc2)c1C 36694477 OWUGSXQGXCVKJV-UHFFFAOYSA-N 364.401 4.463 0 40 FIAB Cc1c(C(=O)Nc2ccc3c(c2)OCCCO3)oc2c1C(=O)CC(C)(C)C2 40115121 ULBDHFPBPPEFKM-UHFFFAOYSA-N 369.417 4.157 0 40 FIAB CC(C)COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40266444 YDPFCDGRPDBZLZ-SFHVURJKSA-N 362.433 4.426 0 40 FIAB COc1ccc(F)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1 43277854 AKNYAMXOBRGFAX-UHFFFAOYSA-N 371.431 4.262 0 40 FIAB O=C(NCc1ccccc1OC(F)F)Nc1ccccc1N1CCCC1 43457186 VBJYWDQOIUEGJB-UHFFFAOYSA-N 361.392 4.210 0 40 FIAB CSc1ccccc1CN1CCC(CNC(=O)c2cc(C)cs2)CC1 43991061 BJQXIXZJZYAFBJ-UHFFFAOYSA-N 374.575 4.420 0 40 FIAB Cn1c(Cc2ccccc2)nnc1SCCOc1ccccc1Cl 44176991 FRCUKKFSLMLMPM-UHFFFAOYSA-N 359.882 4.230 0 40 FIAB CCCOc1cccc(C(=O)Nc2c(C)cc3nc(NN)sc3c2C)c1 45889330 KKSMJGTXDPCXSY-UHFFFAOYSA-N 370.478 4.240 0 40 FIAB COc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1OC(F)F 47892285 FVRSGRKLPZEDBE-WDEREUQCSA-N 367.314 4.148 0 40 FIAB Cc1ccc(-c2csc3nc(Cc4ccc(O)cc4)[nH]c(=O)c23)s1 55490989 HQPKGPDYJUBLFN-UHFFFAOYSA-N 354.456 4.318 0 40 FIAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3C)n2)cc1 57486793 ILQOZZJVRLFXIT-UHFFFAOYSA-N 372.428 4.461 0 40 FIAB Cc1nc(Oc2ccc3ccc(C(F)(F)F)nc3c2)c2cnn(C)c2n1 58003652 CSZZNBJPVUUBKN-UHFFFAOYSA-N 359.311 4.031 0 40 FIAB O=C(CCCNC(=O)c1ccc(F)cc1F)O[C@H]1CCCc2ccccc21 58017835 WPBHJOJBJCLIGP-IBGZPJMESA-N 373.399 4.096 0 40 FIAB O=C(Nc1nc2c(s1)CCC2)c1cc2ccc(OC(F)(F)F)cc2[nH]1 58391140 JIPDZPXDRGBSEB-UHFFFAOYSA-N 367.352 4.264 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)Cc1c(C)nn(C(F)F)c1C 58402589 ZAMDZFAXTBJUQG-AWEZNQCLSA-N 353.438 4.035 0 40 FIAB CCc1nccn1CC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 62129800 BPSARBYDWGAZJH-UHFFFAOYSA-N 365.399 4.017 0 40 FIAB CCn1cnc2sc(-c3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1=O 67260317 SEYWVHXTDWFDNP-UHFFFAOYSA-N 372.837 4.157 0 40 FIAB CSc1nn(-c2ccccc2)c2ncnc(Nc3ccc(F)cc3)c12 68755704 GOFXKLYOCSHVQB-UHFFFAOYSA-N 351.410 4.420 0 40 FIAB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]2(C)[C@H]1O 71785109 IHDFXAYYAHEPNS-GKBVMXFFSA-N 364.489 4.036 0 40 FIAB CC(C)Oc1ccc([C@@H](O)CNCc2ccccc2C(F)(F)F)cc1 72286593 MPPSEMWUIGXGRV-SFHVURJKSA-N 353.384 4.316 0 40 FIAB CC(C)(C)c1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCCO4)cc2c1 72396083 DCCIBZBNDXPLPG-UHFFFAOYSA-N 364.445 4.209 0 40 FIAB CCCC(=O)Nc1ccc(OCc2ncc(C(C)(C)C)o2)c(C(C)=O)c1 79065214 GDICCWHDULKPRW-UHFFFAOYSA-N 358.438 4.492 0 40 FIAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(-n2cccn2)nc1 84553450 FDXZOXRDTQMHOR-UHFFFAOYSA-N 355.401 4.263 0 40 FIAB COc1ccc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1Cl 89457470 PATMKURMESDGRE-INIZCTEOSA-N 374.916 4.046 0 40 FIAB COc1ccc([C@H](NC(=O)c2ccc(-c3cnco3)cc2)C(C)C)cc1 95953974 KGSVZCFNQHHVIW-HXUWFJFHSA-N 350.418 4.477 0 40 FIAB CCOc1ccc(C2(CNC(=O)N3[C@@H](C)CCC[C@@H]3C)CCOCC2)cc1 95984097 WMAJQVPUBUPXDR-ROUUACIJSA-N 374.525 4.106 0 40 FIAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccn(C)n2)n2ccccc12 96037914 HKAFPXGXFNMBRT-UHFFFAOYSA-N 358.445 4.002 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)Cc1coc(-c2cccs2)n1 106011949 JHDLKWKUAFGWQE-KRWDZBQOSA-N 369.490 4.428 0 40 FIAB COc1cccc([C@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)c1 130237001 ZBNVUERESMQRHP-OAQYLSRUSA-N 364.445 4.007 0 40 FIAB O=C(NC[C@H]1CCCN1c1ccccc1)c1cc(-c2ccc(F)cc2)c[nH]1 206784561 WBLLEIUDXURYMZ-HXUWFJFHSA-N 363.436 4.220 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)COc1ccc(C)cc1 219367555 GZMSQOLHTRZTNI-YLJYHZDGSA-N 355.478 4.353 0 40 FIAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1O 222660538 SDASVQUPKJLZAI-MDASCCDHSA-N 369.490 4.165 0 40 FIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1C 222900641 VPZJUVQZHGKZQH-GOSISDBHSA-N 369.461 4.435 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1Cl 224050112 JQZOWMJBGDRJNI-LBPRGKRZSA-N 363.841 4.247 0 40 FIAB CCCCOCc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC 224439119 JWSDGYYHWLRTBH-UHFFFAOYSA-N 371.433 4.035 0 40 FIAB CCSc1ccccc1NS(=O)(=O)c1c(C)cc(OC)cc1C 224815491 JUIGIVNRZPPLEP-UHFFFAOYSA-N 351.493 4.225 0 40 FIAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCCCCC1 225804949 KQUXWQQBDQKXSN-UHFFFAOYSA-N 367.371 4.091 0 40 FIAB CC(C)n1nccc1-c1cccc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257220477 DKZOHGLQSPHLKW-MRXNPFEDSA-N 354.498 4.278 0 40 FIAB CCCc1ccc(OCc2ccccc2)c(CN2C[C@H]3C[C@H](O)C[C@H]3C2)c1 257248341 JDEUKQCQOYLIQR-SGRGSNTQSA-N 365.517 4.421 0 40 FIAB Cc1ccsc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCCC2)c1 257259038 KWOLHYKVHAMMBI-SFHVURJKSA-N 355.507 4.025 0 40 FIAB CCOc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(C)(=O)=O 408628476 YAJAOMSPAOAHRW-UHFFFAOYSA-N 374.289 4.358 0 40 FIAB O=C(CCSCc1ccc(-n2cccn2)cc1)N1CCc2ccccc21 507131341 HOPQSWQILTXZJY-UHFFFAOYSA-N 363.486 4.085 0 40 FIAB Cc1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(C)n1[C@H]1CCOC1 624720599 WMIZTCLCEBCIKU-ZDUSSCGKSA-N 370.346 4.477 0 40 FIAB CCOC1C[C@@H]2CC[C@H](C1)N2Cc1csc(-c2cccc(C(=O)O)c2)n1 1616041019 IERDNCWAQXMUCN-JWTNVVGKSA-N 372.490 4.040 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCC2 908789 LYFOHWPOCJRRDS-UHFFFAOYSA-N 364.854 4.104 0 40 FIAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCCc2ccccc21 948008 XSLMEVFHEQMPNC-HNNXBMFYSA-N 352.261 4.186 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c(C)c1 1263878 YJISUZRALPUMPS-UHFFFAOYSA-N 369.273 4.443 0 40 FIAB Cc1ccc(C[C@@H]2CN=C(N3CCN(c4ccc(C)cc4)CC3)S2)cc1 1440433 HTMRLCSZIIDUDL-OAQYLSRUSA-N 365.546 4.140 0 40 FIAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Cl)cc1 1509498 RARYJVOCSPRTIA-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1O 2160600 MXERTLFKBLXIRM-HXUWFJFHSA-N 364.376 4.311 0 40 FIAB C[C@H](C(=O)NCCC1=CCCCC1)n1nc(C(F)(F)F)cc1C1CC1 2782182 QPQJGOCWXUCHCS-GFCCVEGCSA-N 355.404 4.347 0 40 FIAB O=S(=O)(Nc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1 3343773 CPXNSSWGSZBBFK-UHFFFAOYSA-N 367.295 4.108 0 40 FIAB CC(=O)c1cccc(NC(=O)CSc2ccc(-c3ccccc3)nn2)c1 4355462 GTCWBHQCSWAADP-UHFFFAOYSA-N 363.442 4.077 0 40 FIAB CO[C@@H]1O[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C[C@@H]1NC(=O)c1ccccc1 4531122 DIXAXVFFZZXUJB-DDTUGOMQSA-N 365.473 4.130 0 40 FIAB Cc1ccc(SCCNC(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 5270233 LQXOUABHFGXXCY-UHFFFAOYSA-N 371.531 4.180 0 40 FIAB COc1ccccc1-c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 5544935 KGVYRPHDJURWHP-UHFFFAOYSA-N 367.404 4.426 0 40 FIAB O[C@H](CNCc1ccccc1)CN1c2ccccc2Sc2ccccc21 5741029 SVVXTNOUPDFZGK-GOSISDBHSA-N 362.498 4.440 0 40 FIAB O=C(Nc1ccsc1C(=O)NCc1ccccc1)c1ccc(F)cc1 5900353 VQBAAOSRAUHAOE-UHFFFAOYSA-N 354.406 4.070 0 40 FIAB CCCCC1=N[C@H]2Sc3c(ncn4c(SC)nnc34)[C@H]2C2=C1CCC2 6309805 MZLRSSBWLXQFJU-DYVFJYSZSA-N 371.535 4.487 0 40 FIAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1OC 7112542 VRIFQRMMVLVERF-FQEVSTJZSA-N 364.401 4.064 0 40 FIAB O=S(=O)(c1ccccc1Cl)N(Cc1ccco1)Cc1cccs1 7217307 CAYKHUPXJLKFEH-UHFFFAOYSA-N 367.879 4.386 0 40 FIAB Cc1ccc(NC(=O)CN(C)Cc2csc(-c3ccc(C)cc3)n2)cc1 7490409 DECULZPGXCGQND-UHFFFAOYSA-N 365.502 4.497 0 40 FIAB O=c1c(Cl)c(Oc2ccc(F)cc2Cl)cnn1-c1ccccc1 7737551 XNYSVGXNEJMBBW-UHFFFAOYSA-N 351.164 4.471 0 40 FIAB CC(=O)c1sc(NC(=O)Cc2cccc(F)c2)nc1-c1ccccc1 7799894 QSKREESJSXQABI-UHFFFAOYSA-N 354.406 4.333 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(C(F)(F)F)cc1 7830903 ZLOBNNKQUMCJKR-UHFFFAOYSA-N 359.351 4.163 0 40 FIAB COc1cc(C(=O)Nc2cccc(Br)c2)cc(Cl)c1OC 8206089 UGMIXZVAWVTSDQ-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB CCOCCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 8253146 TUNCPVJAPPHHNQ-UHFFFAOYSA-N 363.885 4.444 0 40 FIAB CCn1c(S[C@H](C)C(=O)c2ccccc2)nnc1-c1ccccc1OC 8776806 MNNLTQUJZLCWBE-CQSZACIVSA-N 367.474 4.337 0 40 FIAB CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(OCC)cc3)ccc21 9137122 KMFASOBXZDYAOF-UHFFFAOYSA-N 366.461 4.417 0 40 FIAB Brc1ccccc1-c1nnc(SCCc2ccncc2)o1 9157220 AZJFNWUXFZXSRY-UHFFFAOYSA-N 362.252 4.229 0 40 FIAB COc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 11654456 OJUJJUWETXOIJO-LLVKDONJSA-N 354.233 4.086 0 40 FIAB CCn1ccnc1SCC(=O)Nc1c(Cl)cccc1C(F)(F)F 11888989 VUYCCPLQIXQOCF-UHFFFAOYSA-N 363.792 4.306 0 40 FIAB Cc1ccccc1CN(Cc1cncn1C)C1CC(C)(C)NC(C)(C)C1 12116740 BRGLBXCAMSDRTN-UHFFFAOYSA-N 354.542 4.040 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)Cn1c(C(F)F)cc2cccnc21 12220691 YZQAGOFRLGROMN-CQSZACIVSA-N 357.404 4.111 0 40 FIAB CCN(CC)c1ccc(NC(=O)Cc2csc(-c3ccccn3)n2)cc1 12534270 ZQNQNZURLVWSMT-UHFFFAOYSA-N 366.490 4.233 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12551047 BPHSUNIMGGPPSR-CABCVRRESA-N 369.852 4.170 0 40 FIAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(F)cc1 12622439 GQOLKPVAXSRBCW-UHFFFAOYSA-N 357.410 4.370 0 40 FIAB COc1ccccc1CN(C)C(=O)c1csc(-c2ccc(C)cc2)n1 12776352 LGFDQOCPAVGPBH-UHFFFAOYSA-N 352.459 4.399 0 40 FIAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1Cl 12777076 OZPKQCLWQYWHOB-ZDUSSCGKSA-N 371.868 4.249 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cc(C)cc(C)c2)c1 12977731 KFXOBNYHAZASQA-FQEVSTJZSA-N 369.461 4.063 0 40 FIAB COc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1Cc1ccccc1 12996454 DSILHZVOAOGBEF-UHFFFAOYSA-N 374.440 4.497 0 40 FIAB CCn1c(/C(Cl)=C/c2ccc(OC)c(O)c2)nc2cc(C(=O)O)ccc21 13039601 BDZMAWHCXJAPGC-JYRVWZFOSA-N 372.808 4.206 0 40 FIAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 15180842 PZMYKUQKHAEYNU-JFDBYLHYSA-N 362.429 4.428 0 40 FIAB CCc1nnc2c3ccccc3nc(Nc3ccc(OC)c(Cl)c3)n12 15728351 ODFKXCXOHJEMOH-UHFFFAOYSA-N 353.813 4.246 0 40 FIAB CCCOc1ccc(NC(=O)COc2ccccc2C)c2cccnc12 15840925 JWYQHIMVVXHBDE-UHFFFAOYSA-N 350.418 4.350 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2cccc(OC)c2)cc1 15912204 AWQMZOFAMMOLDC-SDNWHVSQSA-N 367.445 4.233 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc3n2)o1 17324693 CIPMAIHFQCWOEW-HUUCEWRRSA-N 350.418 4.053 0 40 FIAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nn(C)cc2-c2ccncc2C)cc1 19209532 SPTDPBNVHXNTQO-OAQYLSRUSA-N 374.488 4.005 0 40 FIAB CCCc1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cn1 19525794 YALMPFORSXQCOG-VAPSRWTKSA-N 365.521 4.500 0 40 FIAB Cc1nn(C)c(C)c1C[C@@H](C)n1cncc1-c1ccc2c(c1)CCCN2C 19720035 RVVUWWCPVDSZIO-OAHLLOKOSA-N 363.509 4.087 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc(OC)cc2)cc1 20042923 QPAITJGLXMIFAE-FOIQADDNSA-N 357.450 4.129 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1Br 20107118 MDCLJHRWAHQDIT-MRXNPFEDSA-N 364.239 4.254 0 40 FIAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC[C@H](C(F)(F)F)C1 22766519 YWZOURDGZTUPMN-HNNXBMFYSA-N 361.363 4.332 0 40 FIAB CCC(CC)c1nnc(NC(=O)c2cnn(-c3ccccc3)c2C)s1 24706560 QOYCLAUJDYOJSY-UHFFFAOYSA-N 355.467 4.188 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2Cl)c1C 24738591 OPYCGZSQACAZJT-UHFFFAOYSA-N 365.260 4.321 0 40 FIAB CC(=O)Nc1cccc(-n2c(SCc3ccccc3)nnc2C2CC2)c1 26132028 SASWFZNWQPDVFP-UHFFFAOYSA-N 364.474 4.395 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)NCc2ccc(Cl)cc2)o1 27980268 VCRSVBUAENEMQG-UHFFFAOYSA-N 371.820 4.451 0 40 FIAB O=C1OC2=C(CCCCC2)[C@@H](N2CCCCC2)C12SCCCS2 31759458 LOXJREIATMNLGB-MRXNPFEDSA-N 353.553 4.182 0 40 FIAB CC(C)n1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 31903685 TUKBAUMFORHZFY-MRXNPFEDSA-N 351.425 4.272 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3ccc4c(c3)CCO4)sc2C)cc1 32795830 AMICUYKXRINLCM-UHFFFAOYSA-N 366.442 4.314 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CCN2CCCC[C@H]12 36390368 IUXWWYNSGXOWSA-FTXPIHLZSA-N 370.493 4.310 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)ccc21 40144422 ZUYUUQUZWYRZQS-ZDUSSCGKSA-N 372.415 4.097 0 40 FIAB Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 44912272 PARZGMHKKNMGQV-LJQANCHMSA-N 356.897 4.177 0 40 FIAB O=C(Nc1ccccn1)c1ccc(SCc2cn3ccccc3n2)cc1 45780861 CGUBBEAOLJRAAZ-UHFFFAOYSA-N 360.442 4.274 0 40 FIAB O=C(NC1CC1)N[C@H](c1ccccc1)c1ccc(Br)cc1F 55337351 JWIMBVILGPMANX-MRXNPFEDSA-N 363.230 4.139 0 40 FIAB Cc1cc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)ccc1N1CCCC1 57935297 YLQCNVOMQRKCMR-UZLBHIALSA-N 359.514 4.312 0 40 FIAB Cc1noc(Cl)c1CCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 65497429 ZKGRCOLYELQNGJ-LBPRGKRZSA-N 357.841 4.196 0 40 FIAB CCCCOc1ccccc1-c1cc(C(=O)NCCc2cccs2)[nH]n1 71113155 UCIJXYNNGRYGEN-UHFFFAOYSA-N 369.490 4.290 0 40 FIAB O=C(Nc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165911 YNSAUPOZPNVQDV-ZWKOTPCHSA-N 353.422 4.368 0 40 FIAB C[C@@H]1C[C@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CCN1C 76021756 UEEMZVARDQTTSH-UKRRQHHQSA-N 373.324 4.094 0 40 FIAB Cc1c([C@H](C)NC(=O)CN2CCc3sccc3C2)oc2ccc(F)cc12 84067775 UNVBHCCUWYSSAJ-ZDUSSCGKSA-N 372.465 4.177 0 40 FIAB COc1ccc([C@H](C)NC(=O)/C=C/c2nc3ccccc3s2)c(OC)c1 84651684 WTJSKSZTEMFAEL-NHAQELONSA-N 368.458 4.204 0 40 FIAB O=C(COc1ccc2oc3ccccc3c2c1)NNc1ccc(F)cc1 95349160 DFIMEIIKZFXRNC-UHFFFAOYSA-N 350.349 4.247 0 40 FIAB O=C1CCC2(CCC(NCc3ccsc3)CC2)N1Cc1ccccc1 96228610 DHBGQJFILSKVOZ-UHFFFAOYSA-N 354.519 4.342 0 40 FIAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3nsnc23)N1 96231089 JRIQZDVYNXJSOQ-SECBINFHSA-N 350.230 4.472 0 40 FIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NC5=NCCS5)(C4)C2)C3)cc1 100311957 PMHLOZZEYLYSJY-RKAKKKFESA-N 354.519 4.052 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H]1C[C@@H]1C[C@@H]2CC[C@@H]1C2 100713631 KUQSARIONLCSRO-WCXIOVBPSA-N 366.461 4.066 0 40 FIAB Clc1cc(Cl)cc(-c2nnc3ccc(N4[C@H]5C=CC[C@H]4CC5)nn23)c1 101768008 WTIKYUKOLSHJAW-GJZGRUSLSA-N 372.259 4.395 0 40 FIAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@@]21C 118927224 WACIVNIHJKQSFP-FJJKHUJESA-N 350.474 4.478 0 40 FIAB COc1ccc(NC(=O)CCc2nc(-c3cccc(C)c3)no2)cc1Cl 169890280 QKYALWBQCNCYRH-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Cc1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)cc1C 223699540 MBXVUHCKSLCPTI-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1cccc2c1CCCC2 224111712 JXPLTHQTGMEODC-INIZCTEOSA-N 353.462 4.048 0 40 FIAB Cc1ccc(C)c(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 225455952 ZJRPDGNPUTVISR-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@@H](C)C3)c(C)cc2N)c1 226331542 TZTFSJYFWRKSGB-GASCZTMLSA-N 367.493 4.320 0 40 FIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816843 RBROHHGBHQVTFE-DYESRHJHSA-N 362.514 4.084 0 40 FIAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1C 408674234 YOPUDNSETLAXJL-OALUTQOASA-N 374.440 4.011 0 40 FIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccccc1F 408714090 IHIZLOGGNVWHTN-UHFFFAOYSA-N 367.424 4.445 0 40 FIAB CCSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 408751064 VZRZKBDAZZMAEF-NWDGAFQWSA-N 364.492 4.238 0 40 FIAB COCc1cc(C)nc2sc(C(=O)Nc3c(C)cccc3C)c(N)c12 409372580 FHVVUUXCHPYSHN-UHFFFAOYSA-N 355.463 4.202 0 40 FIAB O=C([C@H]1CCCC12CC2)N1CCC(c2nc(C(F)(F)F)cs2)CC1 529444294 GKAXJERFVSNCQP-GFCCVEGCSA-N 358.429 4.448 0 40 FIAB C[C@H](NC(=O)Nc1nc(C2CCC2)cs1)c1ccc2c(c1)CCC(=O)N2 574263668 CYOKXBKZMXVBBM-NSHDSACASA-N 370.478 4.178 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1nc2ccccc2s1 585148282 WBZXONIJMGPDBV-INIZCTEOSA-N 364.426 4.020 0 40 FIAB CON1CCC(CC(=O)Nc2cccnc2Oc2cccc(C)c2C)CC1 666869074 NKSYUFQWYSBEKK-UHFFFAOYSA-N 369.465 4.093 0 40 FIAB CC1(C)C[C@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 694888554 OUDJCOWHKHEGGK-LJQANCHMSA-N 365.429 4.121 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)c3ccccc3F)CC[C@@H]2N1c1ccc(F)cc1 1615156633 JQFJRDIYSJSWKC-QRWLVFNGSA-N 370.443 4.484 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2ccccc2)cc1 712532 MZZREBWDSGBECT-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccco3)C2)cc1 714265 NFKYJMVBHWIFAG-IBGZPJMESA-N 366.442 4.128 0 40 FIAB O=c1c2c3c(sc2nc(SC(F)F)n1-c1ccccc1)CCC3 952678 OTHMBOOEQABRKN-UHFFFAOYSA-N 350.415 4.251 0 40 FIAB O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cc1 1259018 XWVRWVRHWVCUBG-UHFFFAOYSA-N 367.202 4.408 0 40 FIAB COc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 1377874 ZUXJTOIUGBYYCU-ALOPSCKCSA-N 370.518 4.072 0 40 FIAB CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 2461080 UAKHFQAFROYGOU-UHFFFAOYSA-N 367.423 4.407 0 40 FIAB C[C@@]12C[C@@H](NC(=O)N1c1cccc(Br)c1)c1ccccc1O2 2498572 JXCLGMHQCOWAKU-RHSMWYFYSA-N 359.223 4.219 0 40 FIAB Cc1ccc(OC(F)F)c(NC(=O)[C@@H](C)Cn2nc(C)c(Cl)c2C)c1 2805381 DVBWILUUDSPXGI-JTQLQIEISA-N 371.815 4.338 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cccs2)N1c1ccc2c(c1)OCCO2 3388589 VADICCBVJSPFAR-LJQANCHMSA-N 364.426 4.290 0 40 FIAB C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ccccc1 3518187 VZFBWERIIMTWNU-OAHLLOKOSA-N 364.401 4.076 0 40 FIAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cccc4ccccc34)cc12 3911834 RNHWJABAHRSBFM-UHFFFAOYSA-N 370.452 4.271 0 40 FIAB Fc1ccc(-n2nnc3c(SCc4cccc(Cl)c4)ncnc32)cc1 4166718 PGTTZRLTXWANRE-UHFFFAOYSA-N 371.828 4.295 0 40 FIAB COc1cccc(CSc2nnc(-c3cc(OC)cc(OC)c3)o2)c1 4188595 DMWDBUNYTJOFRO-UHFFFAOYSA-N 358.419 4.055 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O 4472364 YGENDFKKYAWJCI-MHWRWJLKSA-N 371.414 4.098 0 40 FIAB Cc1ccc(-c2nc(CSc3nc4nc(C)cc(C)n4n3)cs2)cc1 4523683 NUAPAXSFLDVIFW-UHFFFAOYSA-N 367.503 4.465 0 40 FIAB COc1ccccc1NC(=O)c1c(NC(C)=O)sc2c1CC[C@H](C)C2 4676158 LCFCQFVJIDNISR-NSHDSACASA-N 358.463 4.092 0 40 FIAB CCCCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)C1 4679050 GEAQBOJZZYTVNS-OAHLLOKOSA-N 362.779 4.373 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)CN2CCC(N3CCCCC3)CC2)cc1 4968937 DLSSWGWEOYQVFS-GOSISDBHSA-N 357.542 4.089 0 40 FIAB CC[C@H](C)[C@@H](C(=O)O)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 5031245 UAJTZFAZHIEZAX-YJBOKZPZSA-N 350.418 4.127 0 40 FIAB Brc1cccc(C2=Nn3c(nnc3-c3ccccc3)SC2)c1 5047254 NCPFVFXSNRCSOA-UHFFFAOYSA-N 371.263 4.066 0 40 FIAB CCc1nccn1-c1cc(C)nc2c(-c3ccccc3Cl)c(C)nn12 5207695 ROXIUHRCDJLXTH-UHFFFAOYSA-N 351.841 4.415 0 40 FIAB CCCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 5792912 TYHSSJNFMMFWNL-UHFFFAOYSA-N 359.422 4.144 0 40 FIAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 5868285 KOJUQZIKCXHPDY-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCCOc1cccc2ccccc12 5876551 CZDDJCRRKZOJSL-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(Br)cc1 6422978 WVGOINOAEXSECI-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1ccc(Cl)cn1 6506379 TXWGPZKXJPTXKU-MRVPVSSYSA-N 367.261 4.384 0 40 FIAB C=CCn1c(SCCOc2ccccc2)nc2cc(Cl)ccc2c1=O 6514197 COXXYUBOHCFSIR-UHFFFAOYSA-N 372.877 4.407 0 40 FIAB COc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 7003430 SXTNYKABCZCFMK-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCc3ccccc32)o1 7348194 NBLPJJXBEJDZJF-UHFFFAOYSA-N 358.401 4.263 0 40 FIAB Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)o1 7407410 CALLCTSXZCVMAX-UHFFFAOYSA-N 350.422 4.134 0 40 FIAB Fc1ccccc1NC(=S)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7620954 VHFZXBCJUBLCLE-MRXNPFEDSA-N 358.438 4.131 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2c(C)noc2C)c1 7719273 WOLNBXOJUOTOCX-UHFFFAOYSA-N 363.417 4.033 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc2c(c1)OCCO2 8060156 CZSJFIXLELDEPK-UHFFFAOYSA-N 358.444 4.204 0 40 FIAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3nccs3)c(C)c12 8764535 ZNERQVLJNBVTDQ-UHFFFAOYSA-N 368.414 4.102 0 40 FIAB biogenic COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3OC)cs2)cc1 9366139 TVCFIERCGDUJAF-UHFFFAOYSA-N 368.458 4.100 0 40 FIAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NCCC1=CCCCC1 9495331 BRRVITHQDQGNMJ-LBPRGKRZSA-N 363.508 4.285 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1F 10260907 NTGOLOLNBAGQBO-INIZCTEOSA-N 358.804 4.124 0 40 FIAB Cn1/c(=N\C(=O)c2c(F)cccc2F)sc2c3ccccc3ccc21 11852846 QKCFMDUKIRIHPJ-ZBJSNUHESA-N 354.381 4.412 0 40 FIAB C[C@H]1Oc2ccc(-c3csc(NC(=O)C4CCCCC4)n3)cc2NC1=O 11904338 RGOFJRAQXDZAPR-LLVKDONJSA-N 371.462 4.048 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cccc(Cl)c2)CC1 12741358 NZVLTWAENDDOLB-UHFFFAOYSA-N 371.864 4.206 0 40 FIAB O=C(NCc1cccs1)c1ccc(-c2ccc3c(c2)OCCO3)s1 12812440 IRWFCSGAFXDOMO-UHFFFAOYSA-N 357.456 4.178 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N=c1[nH]c2ccccc2[nH]1 13692346 KQMIRRAHWWVLTO-UHFFFAOYSA-N 368.849 4.322 0 40 FIAB O=c1c2cc(OCc3cccc(Cl)c3)ccc2nc2n1CCCCC2 13732268 IPXMTXAAUFHCEH-UHFFFAOYSA-N 354.837 4.355 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 14099971 KRDIYMWEKMANPL-UHFFFAOYSA-N 354.475 4.045 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)s1)NCCSCc1cccs1 14165364 JOASFZKKUYVPRD-UHFFFAOYSA-N 373.952 4.476 0 40 FIAB COc1ccc(C)cc1[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 15331727 DKHLZSJLVIDQLL-OAHLLOKOSA-N 355.459 4.196 0 40 FIAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 18516429 SKTFFXICKHBSRX-HNNXBMFYSA-N 361.511 4.007 0 40 FIAB Cc1ccc(C)c([C@@H](O)CN2CCC(c3noc4cc(F)ccc34)CC2)c1 19132019 RDWLYBXDYPMSQY-FQEVSTJZSA-N 368.452 4.497 0 40 FIAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)c2ccc(N(C)C)cc2)n1 19240199 HVGATTQSVWFSGL-QGZVFWFLSA-N 371.531 4.293 0 40 FIAB CCC(CC)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C(C)=O 19500232 VVGXXEQASSYKIO-BDTNDASRSA-N 370.537 4.208 0 40 FIAB O=C1CCCC[C@@H]2[C@H](CCN2CCc2ccccc2)N1Cc1ccccc1 19713180 JXAFYVYNFSTAGP-PKTZIBPZSA-N 362.517 4.275 0 40 FIAB COc1ccc2ncc(C(=O)O)c(Nc3ccc(N4CCCC4)cc3)c2c1 19793863 BNDDOFVNSCJPMO-UHFFFAOYSA-N 363.417 4.285 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 20029961 URIRNZCXNHRUAQ-MRXNPFEDSA-N 365.882 4.095 0 40 FIAB Oc1ccccc1-c1cc(-c2ccccc2)n2nc(C(F)(F)F)nc2n1 20635855 GDJZRCJCLNFYGI-UHFFFAOYSA-N 356.307 4.183 0 40 FIAB O=C(C[C@@H]1C=CCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21898670 AEAPZUBACFVDMU-HXUWFJFHSA-N 360.501 4.277 0 40 FIAB CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1CCCCCC1 22025141 OHUKFFHAVPUPMD-UHFFFAOYSA-N 351.450 4.284 0 40 FIAB CCN(CC)CCNCc1ccc(-c2ccc(Br)cc2)o1 22076622 WXQYEAALLIYBDO-UHFFFAOYSA-N 351.288 4.141 0 40 FIAB Cc1cc(C)nc(SCC(=O)N[C@H](C)c2cccc3ccccc23)n1 24063306 MZBPFDZEZFDEEC-OAHLLOKOSA-N 351.475 4.216 0 40 FIAB Cn1cc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cn1 25308205 RGFDURXCRLFONF-UHFFFAOYSA-N 372.428 4.313 0 40 FIAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H](Cc1ccccc1)c1ccccc1 25623014 LDXILPTZGPEXHN-KRWDZBQOSA-N 373.378 4.002 0 40 FIAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 32603649 UYWAWAVMVDJYBE-UHFFFAOYSA-N 374.289 4.213 0 40 FIAB CCCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182066 MVUOLCWSFBYBSP-UHFFFAOYSA-N 351.475 4.331 0 40 FIAB O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)c1cccc(F)c1 36425555 QFEXTJUULIRRNA-UHFFFAOYSA-N 367.449 4.093 0 40 FIAB CCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 36750858 ULOSWTPNLRILFB-UHFFFAOYSA-N 353.853 4.392 0 40 FIAB O=C(NCc1ccccc1Cn1ccnc1)Nc1cccc(C(F)(F)F)c1 40024071 VXPRETLKTFEDCV-UHFFFAOYSA-N 374.366 4.272 0 40 FIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1sccc1-n1cccc1 40040012 AIGMZSHLRVUDQI-UHFFFAOYSA-N 372.519 4.234 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@H](O)c2ccc(Cl)cc2)cc1OC 40067072 BLOAWBJDLRBEDT-MSOLQXFVSA-N 361.869 4.228 0 40 FIAB O=C(Nc1cccc(F)c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140099 JVPCGWLHTDWOOG-UHFFFAOYSA-N 357.335 4.031 0 40 FIAB CN(C)CCOc1ccccc1C(=O)Nc1cccc(-c2nccs2)c1 40158166 CAHJAPWKVPMERN-UHFFFAOYSA-N 367.474 4.003 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 44908943 HUJOWAVCRFJYQR-IBGZPJMESA-N 366.505 4.036 0 40 FIAB Cc1ccc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)cc1C 46012496 GSMUGQLYUPENKL-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB CN(C)c1ccccc1NC(=O)/C=C/c1ccc(OCc2cccnc2)cc1 46238353 MNAWUCXQVYJIIT-SDNWHVSQSA-N 373.456 4.379 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(F)ccc1NC(=O)N1CCCC1 49549615 DGKHDJAQTCOALK-UHFFFAOYSA-N 366.396 4.187 0 40 FIAB CN(CCCn1c(=O)oc2ccccc21)Cc1cccc(Cl)c1Cl 58417699 CFFAVYABZJTIJN-UHFFFAOYSA-N 365.260 4.423 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)c1cccs1 69491015 NNYHNOFQEBEIBN-RDTXWAMCSA-N 372.534 4.490 0 40 FIAB Cc1[nH]c(C(=O)N(CCC(F)(F)F)CC2CC2)c(C)c1C(=O)OC(C)C 75108378 JKAUJZREDAWJTB-UHFFFAOYSA-N 374.403 4.001 0 40 FIAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CCCCC2 79473354 BRTAVWYRVUWOCD-PXNSSMCTSA-N 368.521 4.350 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N[C@@H]3CCCC[C@H]3C(F)(F)F)c2)no1 84281554 SJZGUUNYUHXGPF-ZIAGYGMSSA-N 368.359 4.288 0 40 FIAB O=C(OCc1coc(-c2ccccc2)n1)c1ccc(Br)c(O)c1 95432688 KFOTZSJDVUWWKV-UHFFFAOYSA-N 374.190 4.167 0 40 FIAB CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C(C)C 95945857 XZNXGHGUAFYEQE-UHFFFAOYSA-N 372.490 4.412 0 40 FIAB COc1cccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)c1 96047243 YBKQPNZJIDJZEE-UHFFFAOYSA-N 371.550 4.030 0 40 FIAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 96052609 PKPAYLMAMOYRTK-LJQANCHMSA-N 366.505 4.215 0 40 FIAB COc1ccc(NC(=O)c2nc(Cl)sc2CC(C)C)c(OC)c1 96230785 ZHBXXGJLJQBDSY-UHFFFAOYSA-N 354.859 4.265 0 40 FIAB CC1CCN(C(=O)c2cc(Br)ccc2Br)CC1 96319375 IHIWSFGXSCQBLW-UHFFFAOYSA-N 361.077 4.084 0 40 FIAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(C(F)(F)F)ccc1Cl)[C@@H]1C=C[C@@H]2C12CC2 100173717 JKXYAGKENRLCMT-NUZBWSBOSA-N 367.754 4.060 0 40 FIAB COc1cc(CC(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)ccc1O 100751560 MTXONJKEDQLOSK-RTBURBONSA-N 369.436 4.020 0 40 FIAB CCN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)CC 113964254 GKSIDZOTLLUTSM-UHFFFAOYSA-N 374.506 4.238 0 40 FIAB Cc1cccnc1[C@H](NC(=O)N1C[C@H](C)O[C@H](c2ccsc2)C1)C(C)C 121285302 DFYBLAUOMIAAQU-RYQLBKOJSA-N 373.522 4.320 0 40 FIAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 137863737 NSRIRZJCGLWALN-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB O=C(NCCC1=CCCCC1)N1CCC(c2c[nH]c3ncccc23)CC1 172297105 DWBOOLCEWIWDDX-UHFFFAOYSA-N 352.482 4.342 0 40 FIAB O=C(NCc1ccc([C@H](O)c2ccco2)s1)c1ccc(Cl)s1 206683974 LUZIQBLDVWMSBZ-CQSZACIVSA-N 353.852 4.068 0 40 FIAB COc1cccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)c1 218931396 BBECYKMMJHGPRS-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(=O)OC)cc1 223008402 LRWLBPGBWOMYAR-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 225633760 RVLCSNPNNZFGIU-IBGZPJMESA-N 353.462 4.464 0 40 FIAB O=C1C[C@]2(CC[C@H]3[C@H]2[C@@H]3C(=O)NC2CCCCC2)Oc2ccc(Cl)cc21 247848395 FRMVBKFGVPOUJI-FWQLUELVSA-N 373.880 4.149 0 40 FIAB Cc1nc(-c2cncc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)sc1C 257241991 IAODBZBDVNFMMX-UHFFFAOYSA-N 374.510 4.331 0 40 FIAB CC(C)c1ccoc1C(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 331771188 FOLXDUDWEXNGMB-CQSZACIVSA-N 362.495 4.371 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1Br 408705255 AONIOZDCIGYJRJ-INIZCTEOSA-N 364.239 4.254 0 40 FIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccccc1Cl 408714513 SMBIJBSVNLMOJQ-VAWYXSNFSA-N 353.809 4.062 0 40 FIAB Cc1ccc(CN2CC[C@@H](CN(C)C(=O)c3cccc4cc[nH]c34)C2)s1 556828291 HJXGZCCKEJXCFA-INIZCTEOSA-N 367.518 4.132 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CC4CC3(C)C4)nn2-c2ccccc2)cc1 621211810 SCHQETAIKXERBS-UHFFFAOYSA-N 373.456 4.172 0 40 FIAB Cc1sc(C(N)=O)cc1NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 675278197 FQYCBTNXCAQYRT-UWVGGRQHSA-N 369.273 4.204 0 40 FIAB Cn1cncc1C1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 1350165207 QRBMOUDXHLNJPF-UHFFFAOYSA-N 366.292 4.066 0 40 FIAB Cc1cccnc1CN1Cc2ccccc2OC2(CCC(N(C)C)CC2)C1 1615160506 ZOHWCFSRHJEVPC-UHFFFAOYSA-N 365.521 4.028 0 40 FIAB Cc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 781733 FJYZBJAIMRQHSA-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1 849060 OQWYBMHNBITLBX-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 869055 RLAMTRYWSPPDPF-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Cc1ccc(-c2csc3ncn(Cc4c(C)noc4C)c(=O)c23)cc1 1290739 WNTKMJZXYQSTAM-UHFFFAOYSA-N 351.431 4.087 0 40 FIAB COc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 1370426 MRBKHRPSGCPYCM-SFTDATJTSA-N 364.489 4.011 0 40 FIAB CC[C@@H]1Oc2cc(OC(C)=O)ccc2C=C1c1ccc(OC(C)=O)cc1 1615727 GXYODSQQOXOLLH-FQEVSTJZSA-N 352.386 4.249 0 40 FIAB COc1ccc(-c2coc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc1 2341515 AJDUZBPZZMWNBB-UHFFFAOYSA-N 352.386 4.420 0 40 FIAB biogenic CCc1cc2c(SCC(=O)N[C@H](C)c3ccccc3)ncnc2s1 2622733 LDQSSYRNYWNNJF-GFCCVEGCSA-N 357.504 4.223 0 40 FIAB COc1ccccc1NC(=O)CSc1nc(-c2cccc(C)c2)ns1 2917530 XTPWWJWWKKJTLP-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)N1CCOCC1 3324347 VFKVATWKGXVOQU-UHFFFAOYSA-N 366.848 4.336 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2cc(Cl)ccc2OC)c1 3549871 RHSFDVIYYWTLCV-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB COCCN(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 4110288 VVQMLVVZRPKQRV-UHFFFAOYSA-N 361.869 4.011 0 40 FIAB COc1ccc(C(=O)NCCc2sc(-c3ccccc3)nc2C)cc1 4392448 PJOASBBRHNVANP-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB O=C(CCCCCCCCC(=O)CN1CCCCC1)CN1CCCCC1 4403602 ZJMVTBDNMCKZIE-UHFFFAOYSA-N 364.574 4.217 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1nc(-c2cccs2)no1 4721633 ZOMFIPDOOCKXOQ-UHFFFAOYSA-N 361.426 4.318 0 40 FIAB COc1cccc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)c1 5252423 YPHACUTWPUHVDI-UHFFFAOYSA-N 359.385 4.483 0 40 FIAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)ccc12 5348263 CIAOHVRDZDYIEG-HNNXBMFYSA-N 365.429 4.002 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1 5461567 VOTVUVYDGQTTQB-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB CCCCn1nc(C(=O)Nc2cc(Cl)ccc2C)c2ccccc2c1=O 5511882 GTTZVNXWRKDFRC-UHFFFAOYSA-N 369.852 4.411 0 40 FIAB Cn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1 6139855 PUIXPDFYUDSUGI-UHFFFAOYSA-N 367.518 4.360 0 40 FIAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N(C)C12CC3CC(CC(C3)C1)C2 6787482 KRRFXBHCLSXPBG-IHWZXDPASA-N 369.431 4.199 0 40 FIAB O=C(NCc1ccccc1F)c1cccc(NC(=O)c2cccs2)c1 7285130 SMNLFUUUTWKUBU-UHFFFAOYSA-N 354.406 4.070 0 40 FIAB COc1ccc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)nn1 7573277 FZBGBENIQJFYGJ-UHFFFAOYSA-N 373.334 4.423 0 40 FIAB Cc1ccc(NCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1F 7715946 VYAHEBWICRIUNT-UHFFFAOYSA-N 362.404 4.416 0 40 FIAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CCCCCC1 7920835 QRLIXVDNRVTWAZ-UHFFFAOYSA-N 366.461 4.048 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1F 8041815 HLKHLXHNVKUSIV-KBXCAEBGSA-N 372.440 4.150 0 40 FIAB CCOc1cc(CNCCCNC)cc(Cl)c1OCc1ccccc1 8254065 LWDJRXUXXMZHKL-UHFFFAOYSA-N 362.901 4.017 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)NCC2CCCCC2)cc1 8719194 JAAADRSOCBMSMX-UHFFFAOYSA-N 356.466 4.109 0 40 FIAB O=c1[nH]c(CSCc2ccccc2Br)nc2ccsc12 9585652 CTHPZWDXKMLWPZ-UHFFFAOYSA-N 367.293 4.181 0 40 FIAB COc1ccc(OCc2nnc3sc(-c4ccccc4Cl)nn23)cc1 10312277 YWPBFQQLASBGTG-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544874 YACFMKMRRBBULG-QGZVFWFLSA-N 372.472 4.383 0 40 FIAB COc1cc(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1C 12143810 ZXZWNSUNMVGFCM-LJQANCHMSA-N 363.461 4.176 0 40 FIAB Nc1c(C(=O)c2cccs2)sc2c1[C@H](c1ccccc1F)CC(=O)N2 12276216 IHLTVJCICAQEFO-JTQLQIEISA-N 372.446 4.236 0 40 FIAB Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)c1 12292312 DBZBERMUOVHAMT-QHCPKHFHSA-N 361.485 4.165 0 40 FIAB COc1ccccc1OCCN(C)C(=O)c1ccnc2ccc(Cl)cc12 12325776 SRHLXNDDUMCUFJ-UHFFFAOYSA-N 370.836 4.048 0 40 FIAB CCNC(=O)c1cccc(Nc2nc(C(F)(F)F)nc3ccccc23)c1 12533922 IGNKXJVKFAOWQH-UHFFFAOYSA-N 360.339 4.142 0 40 FIAB CN(C)c1ccc(NC(=O)CSC2=Nc3ccccc3CS2)cc1 12534212 PVJWRKFQNXWICM-UHFFFAOYSA-N 357.504 4.359 0 40 FIAB CCN1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 12539680 OIWZVWWHNUKVIL-OAHLLOKOSA-N 353.853 4.074 0 40 FIAB O=C(Nc1ccc(C(=O)N[C@@H]2CCc3ccccc32)s1)c1ccco1 12932449 QQOISXCOPZTHJQ-CQSZACIVSA-N 352.415 4.011 0 40 FIAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)c1cccc(Br)c1 12972693 COPXKCOZVFNKHN-JTQLQIEISA-N 351.244 4.360 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1Cl 12972869 YGKDPYFPUWLLQD-QGZVFWFLSA-N 357.841 4.283 0 40 FIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(F)c(F)c3F)c12 13022019 KIOLOJZDSHUYMJ-UHFFFAOYSA-N 362.355 4.070 0 40 FIAB COc1ccc(CN(C)C(=S)Nc2ccc(OC(F)F)cc2)cc1 13656242 WBTXWGXGWBPLEQ-UHFFFAOYSA-N 352.406 4.125 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccccc2Cl)ccc1Cl 13709973 SCTMBUAZYAEZFG-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3F)CC2=O)c1C 14424341 WKULUZKFBQBVNL-CYBMUJFWSA-N 360.816 4.088 0 40 FIAB CCOc1ccc2oc(C)c(C(=O)Nc3ccccc3C(=O)OC)c2c1 15880504 YYWQYOJHVYGRIG-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic CSc1ccccc1C(=O)OCc1cc(-c2ccc3c(c2)OCO3)on1 16838744 UGGQEPNDDDYNJF-UHFFFAOYSA-N 369.398 4.149 0 40 FIAB COc1ccc(C2=C[C@H](c3ccccc3)n3nc(SC)nc3N2)cc1 17072732 SHRHZPJGSARHKB-QGZVFWFLSA-N 350.447 4.065 0 40 FIAB COc1ccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)cc1 19557953 HCGDKYNLUUUCST-LJQANCHMSA-N 366.465 4.417 0 40 FIAB Cc1cc2cc(NC(=O)c3cnc4sc(C)cn4c3=O)cc(Cl)c2o1 19717142 YKCOJXCOQRKPCE-UHFFFAOYSA-N 373.821 4.025 0 40 FIAB CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1cccc(C)c1 20168484 FFVVADDJIMENFC-UHFFFAOYSA-N 366.490 4.029 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1Cl 20481322 CPZKQDCPWRDZOV-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc1 20498497 WGWSSTUYXXKUIT-OAHLLOKOSA-N 366.486 4.456 0 40 FIAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCO[C@H](c2ccccc2)C1 23898426 DSKZLMGTYCCZBX-QFIPXVFZSA-N 371.436 4.131 0 40 FIAB CCCc1ccc([C@@H](NC(=O)CN2CCSC2=O)c2cccs2)cc1 24223046 JQRFEWQPWNFENI-GOSISDBHSA-N 374.531 4.075 0 40 FIAB C[C@@H](CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1)c1ccccc1 24896759 VHDXYQUOYCYGTL-INIZCTEOSA-N 359.429 4.466 0 40 FIAB Cc1cccc(Oc2ccccc2NC(=O)c2cnc3ccccn3c2=O)c1 25599574 YDPSRQRRFQDJEE-UHFFFAOYSA-N 371.396 4.048 0 40 FIAB C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C[C@@H](C)O1 25703135 QBMPFJGFYFZFNI-HUUCEWRRSA-N 374.868 4.180 0 40 FIAB COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1csc(C)n1 28278347 ONVRBGKJHRFRRS-CXAGYDPISA-N 374.506 4.348 0 40 FIAB Cc1cc([C@@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)cc(C)c1O 28923860 IATDRXKGEHNFDM-NRFANRHFSA-N 362.429 4.393 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)no1 29013253 QVMWDNAYFRFCLW-UHFFFAOYSA-N 353.325 4.378 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1 29921631 IRJVHVZZEIJPCW-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1ccc(Cl)cc1 32096337 RKKDEDMIONPHRK-UHFFFAOYSA-N 363.804 4.473 0 40 FIAB Cc1nc(NC(=O)C[C@H]2C=CCC2)sc1Cc1ccc2c(c1)OCO2 32738609 LEWBVQQBUOKFCA-ZDUSSCGKSA-N 356.447 4.066 0 40 FIAB Cc1cccc(C)c1NC(=O)CSCc1nc(-c2cccs2)no1 32778875 CTASIJIPTHEVHY-UHFFFAOYSA-N 359.476 4.287 0 40 FIAB CC(C)(C)OC(=O)NC1(CNC(=O)Nc2ccccc2)CCCCCC1 32935997 LIMWUJULRMFERH-UHFFFAOYSA-N 361.486 4.426 0 40 FIAB CCOc1cc(CO)cc(Br)c1OCc1ccccc1C 36825173 YGVPAYJPTLIMEJ-UHFFFAOYSA-N 351.240 4.228 0 40 FIAB Cc1ccc(C)n1-c1nc(CC(=O)NCCCCc2ccccc2)cs1 40132147 ONDKCGQRLRRHLL-UHFFFAOYSA-N 367.518 4.232 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2C)cc1 44355146 YIJVODFKLFFLLC-LJQANCHMSA-N 355.482 4.323 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(Oc2ccccc2)nc1 44478684 WWJMRYQKGXMIFV-UHFFFAOYSA-N 358.357 4.176 0 40 FIAB CCCOc1ccc([C@H](C)Nc2cc(Cl)nc(N)n2)cc1OCCC 46587677 JCCQMTVUXBACLN-LBPRGKRZSA-N 364.877 4.463 0 40 FIAB Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c(C)s1 46600789 BCABYUACSGVRAS-QWHCGFSZSA-N 371.506 4.371 0 40 FIAB Cc1cc2cc(NC(=O)COCc3nc4ccccc4s3)ccc2[nH]1 48234938 WQTFSSDKMVBZJA-UHFFFAOYSA-N 351.431 4.241 0 40 FIAB CCCc1nnsc1C(=O)Nc1cccc2ccc(-n3cccc3)nc12 49028014 PZJASPNNDZHKSC-UHFFFAOYSA-N 363.446 4.082 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccccc3N3CCCC3)cc2c1 57993307 CJNHFNDXBIWGPH-UHFFFAOYSA-N 365.433 4.038 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1C 59294454 WCNOORHBQDPHGJ-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB CC[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)OCCCO2 64986953 ALGYCKCDEMYFBE-CKDFRHGISA-N 355.409 4.268 0 40 FIAB Cc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NCc1ccco1 67299151 IHFPBEYQFVHCCV-GYHWCHFESA-N 374.396 4.202 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cnc(Cl)cc2C)cc1 72217879 FCFSSDNOWRDIIT-KRWDZBQOSA-N 364.898 4.268 0 40 FIAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2Cl)cc1Cl 72227941 XYFULWJPYFRXTF-CABCVRRESA-N 371.651 4.071 0 40 FIAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2Cc2cccnc2)n1 72360209 HVMYSVPTFMZJLQ-KRWDZBQOSA-N 366.494 4.026 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc2c(OC)ccc(OC)c2n1C 95479877 YDIOFEOFIUMAJD-UHFFFAOYSA-N 374.824 4.110 0 40 FIAB Cc1ccc(NC(=O)c2ccc3onc(-c4csc(C)n4)c3c2)cn1 96037853 XIQJQSIHDIZWMQ-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB COc1cccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3nnnc3N2)c1 100952239 QSTCFSNDSJCNBO-MRXNPFEDSA-N 374.231 4.045 0 40 FIAB Cc1ccnc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1 102073520 OIZUQINNRDBRPW-JDPPGYRCSA-N 363.299 4.453 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102400346 SAGBPYVMMVLTFX-ZJQBRPOHSA-N 352.272 4.012 0 40 FIAB COc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1OC 211503197 MXUZMQALBVEAJV-YBEGLDIGSA-N 357.387 4.063 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2cccc3ccccc23)c1 218912939 JBMQNHKTXWDAQF-UHFFFAOYSA-N 363.413 4.342 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)CC(C)(C)O2 218973481 ONOPFGVITQDURP-KXBFYZLASA-N 369.461 4.190 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCC)c(Cl)c2)c1C 223144071 AQYDEVUNPOCALB-UHFFFAOYSA-N 361.825 4.476 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CCCOc3ccccc3)s2)cc1 223219923 CRHKGSLHNKGASR-UHFFFAOYSA-N 369.446 4.011 0 40 FIAB CCCSc1nnc(NC(=O)CSCc2ccc(C)cc2)s1 223250916 MRHVDNNOSFMDOP-UHFFFAOYSA-N 353.538 4.221 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)cc1C 223794570 AGFWGWJCQVELEL-GOSISDBHSA-N 355.478 4.389 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 224042795 JETPMEHEQKFTPS-INIZCTEOSA-N 361.869 4.228 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)CSCc2cccc(Cl)c2)c1 224054728 ZAWJSQCHNSRKRI-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224136660 JUKGSPZFKYBJRQ-OAHLLOKOSA-N 359.441 4.086 0 40 FIAB CC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(OC)c(C)c1 224391006 YGSDQBJKTRBYRL-DKISHCGFSA-N 353.418 4.013 0 40 FIAB COc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1C 224623082 YAYOCVICLHLOFT-UHFFFAOYSA-N 367.873 4.459 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 224650404 FEAYFWQXMHWINV-IBGZPJMESA-N 366.505 4.235 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(OC)cc1 224991553 CFJDUYHZUZIREU-QFIPXVFZSA-N 367.489 4.090 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1ccccc1 409156571 GKBIFWCMSFAXDH-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB CCCn1c2ccccc2n2c(SCc3nc4ccccc4[nH]3)nnc12 575410737 DIHJPASEECQYKW-UHFFFAOYSA-N 362.462 4.263 0 40 FIAB O=C(NCc1cccc(-c2cccnc2)c1)NC[C@H]1CCC2(CCCC2)O1 654532324 QRGXXNQGGZRXGX-HXUWFJFHSA-N 365.477 4.040 0 40 FIAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3coc(C)n3)cs2)nc1 1615189449 PPJMFMNOXXWVQT-INIZCTEOSA-N 355.467 4.224 0 40 FIAB COc1ccc(N[C@H](NC(=O)c2ccc(C)cc2)C(=O)c2ccccc2)cc1 622976 FYLNEIIQBWPOOL-JOCHJYFZSA-N 374.440 4.055 0 40 FIAB COc1ccc([C@H]2N(c3cccc4ccccc34)C(=O)N3CCCN23)cc1 636265 MDAHOIJUUWCOSJ-OAQYLSRUSA-N 359.429 4.410 0 40 FIAB O=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 704368 ZHIBQARSSJTNKM-UHFFFAOYSA-N 368.392 4.119 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OC 1084383 FPQZCDMHDCTMGU-GDNBJRDFSA-N 357.793 4.092 0 40 FIAB Fc1cc(Cl)ccc1NC(=S)N1CCN(c2ccccc2F)CC1 1454310 JWKILEYWTXCECK-UHFFFAOYSA-N 367.852 4.137 0 40 FIAB CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1ccccc1 1865475 OOZRJWUJEUCZNT-UHFFFAOYSA-N 351.427 4.202 0 40 FIAB CCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cccc(C)c3nc21 2416586 OYRVRYPUVNMXRA-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB CCCSc1nnc(-c2ccccc2OC)n1-c1ccc(OC)cc1 2623380 ROJJIPLBHWWZPG-UHFFFAOYSA-N 355.463 4.454 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3F)[nH]c2c1 2624010 MDSHFVKURZOZBS-UHFFFAOYSA-N 365.817 4.095 0 40 FIAB CCOC(=O)c1sc2ncc(C(=O)c3cc(C)ccc3O)cc2c1C 2635424 MCGMWSDVUGDVNL-UHFFFAOYSA-N 355.415 4.026 0 40 FIAB FC(F)Oc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCC4 2787622 IEVWAQKYBJTSHS-UHFFFAOYSA-N 358.373 4.096 0 40 FIAB Cc1ccc(CONC(=O)c2ccc(COc3ccc(F)cc3F)o2)cc1 2793870 ZIQNLGGIQBUFIR-UHFFFAOYSA-N 373.355 4.307 0 40 FIAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1C[C@H]1CCCO1 3052080 MPRVEJAWGLMAKP-MRXNPFEDSA-N 370.449 4.007 0 40 FIAB O=C(c1ccc(Br)cc1)N(c1ccccn1)c1ccccn1 3169446 QCLGRTASTBQNIY-UHFFFAOYSA-N 354.207 4.218 0 40 FIAB COc1ccccc1CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 3341169 OVKNVRZSBHTIIZ-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)C(c1ccccc1)c1ccccc1 3448910 HIGLSCZYVMEGTR-NRFANRHFSA-N 374.484 4.365 0 40 FIAB CCn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21 4484565 DVBXLACMSKGKCA-UHFFFAOYSA-N 351.475 4.128 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccc(C(=O)OCCCC)cc1 4661753 IHIGNCSVKYLUKA-UHFFFAOYSA-N 350.484 4.037 0 40 FIAB COc1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1 4776197 MDTKHINHALEKJX-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB CCc1cccc(CC)c1NC(=O)C[C@H](NCCC1=CCCCC1)C(=O)O 4939666 BVOMXLLEJOKFQU-IBGZPJMESA-N 372.509 4.073 0 40 FIAB CCCSc1ccccc1C(=O)Nc1nnc(SCCOC)s1 5060986 GYPHDGJMLFURSW-UHFFFAOYSA-N 369.537 4.031 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCOc1ccccc1 6563357 MSBXLABLZXFEFW-UHFFFAOYSA-N 354.450 4.013 0 40 FIAB Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(C)c3C)n2)cc1 6767244 JBMVQZCHDJSJEX-KRWDZBQOSA-N 361.445 4.035 0 40 FIAB CCCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 7542969 VZWWRAKUUGQMNI-MRXNPFEDSA-N 351.425 4.102 0 40 FIAB COc1cc(NC(=O)Cc2csc(-c3ccsc3)n2)cc(OC)c1 8122724 PYPRDQZWZBOTAO-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB COc1ccccc1-c1nn2c(CSc3ccccc3)nnc2s1 8393144 QPBYOPYKYMORNV-UHFFFAOYSA-N 354.460 4.154 0 40 FIAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccccc2)cc1 8476251 DKTDHGSSORRTAE-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB COc1ccc([C@H]2CCCCCN2[C@@H](C(=O)N(C)C)c2ccccc2)cc1 8709507 RUSDDNLWWJTBFF-FGZHOGPDSA-N 366.505 4.442 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Sc1nccn1Cc1ccccc1 9155395 ILPHODYDFWVGCV-OAHLLOKOSA-N 367.474 4.059 0 40 FIAB CC(C)[C@H](NC(=O)N(C)Cc1cccc(F)c1)c1ccc2c(c1)OCCO2 9791790 AHRGWCNDRLDNCA-FQEVSTJZSA-N 372.440 4.136 0 40 FIAB COc1ccc(CN(C)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1 9867721 SVVCATJXHJGOHQ-FQEVSTJZSA-N 356.466 4.243 0 40 FIAB Cc1cccc(CS[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)c1 9912185 WKBBDAHDLXOHPH-OAHLLOKOSA-N 368.502 4.381 0 40 FIAB COc1cccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C)c1 10225825 DORHZVVBNLYCRH-LJQANCHMSA-N 358.869 4.433 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 12780168 RAYBBDCONAOBQI-GOSISDBHSA-N 374.440 4.036 0 40 FIAB Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Br)cc3)ccc2o1 12793267 ALZBHJOVNOGEKC-JTQLQIEISA-N 374.238 4.338 0 40 FIAB CNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)o1 12925893 CGOZDCPTAWPFSI-UHFFFAOYSA-N 366.442 4.184 0 40 FIAB COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 18187618 AKIKLAQFWVAKFZ-UHFFFAOYSA-N 359.838 4.043 0 40 FIAB Cc1noc(C)c1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 19580408 ILUSTJWZXQEETJ-FQEVSTJZSA-N 352.459 4.070 0 40 FIAB Cc1ccc2cccc(NC(=O)c3sc(N4CCCC4)nc3C)c2n1 19663621 SWZDCIXVRHTLGZ-UHFFFAOYSA-N 352.463 4.161 0 40 FIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(F)cc3Cl)c12 25053425 KENZEFGVVODPMC-UHFFFAOYSA-N 360.820 4.445 0 40 FIAB COc1ccc2cc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c(C)nc2c1 25145346 ZJMHUYLGBRPFBQ-ZIAGYGMSSA-N 366.383 4.403 0 40 FIAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1ccc(F)cc1 33394488 CYDBVMLNFRNUAO-GUSDSWBTSA-N 354.406 4.488 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)cc1 35685038 SSCBSUQJVHRXQG-QGZVFWFLSA-N 364.380 4.169 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)o1 40050285 HYWSOJXOUABKCY-QCIHBZPFSA-N 364.445 4.291 0 40 FIAB O=C(NCc1ccco1)Nc1ccc(Br)cc1Br 40098278 FESQCJWOCXSDCN-UHFFFAOYSA-N 374.032 4.126 0 40 FIAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC(C)(C)C)ccc32)c1 46078633 LJWGRCACSLYDDV-UHFFFAOYSA-N 350.462 4.116 0 40 FIAB CN(C)C(=O)[C@@H](Sc1nc2ccccc2n1C(F)F)c1ccccc1 48235994 ULWRKCZBQUIKCH-HNNXBMFYSA-N 361.417 4.353 0 40 FIAB Cc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)c(C)c1 49006920 DSPDNOBPBOBZBL-UHFFFAOYSA-N 365.408 4.225 0 40 FIAB Cc1cc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)ccc1N1CCCC1 57935293 YLQCNVOMQRKCMR-OXQOHEQNSA-N 359.514 4.312 0 40 FIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCc1nc(-c2ccsc2)no1 58408566 MJDPMWZXVBFMGO-GFCCVEGCSA-N 359.426 4.089 0 40 FIAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc2ccccc12 70639941 FUVJQBCLRMYONO-GOSISDBHSA-N 359.347 4.322 0 40 FIAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)cc1 72349147 DLUPDCSLEFKZRK-IBGZPJMESA-N 373.456 4.172 0 40 FIAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3ccncc3)n2)cc1 72357921 IJYRITHCHUYFQL-HSZRJFAPSA-N 371.484 4.282 0 40 FIAB C[C@H](CNC(=O)c1sc2ccccc2c1Cl)CC1(C)OCCO1 84637149 ZEIDXNRGQRFJJC-NSHDSACASA-N 353.871 4.074 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccccc2Br)C1 89212624 JHAGYPYDBWNGCY-LBPRGKRZSA-N 355.276 4.261 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@]2(CC[C@H](C)C2)C1 96006573 QGIYLVMWGWLFAE-IFXJQAMLSA-N 350.890 4.189 0 40 FIAB Cc1noc(Cc2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)n1 96097040 YOBFCOGTXNCVTO-UHFFFAOYSA-N 361.323 4.240 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)N(Cc1cnc2ccccn12)c1ccccc1 96102993 YZTITWVMLASJPD-SFHVURJKSA-N 371.440 4.335 0 40 FIAB O=C1/C(=C\c2cc3ccccc3nc2N2CCCCC2)N=C2CCCCCN12 96935828 RTKHLHVVUQRRPG-CAPFRKAQSA-N 374.488 4.381 0 40 FIAB O=C(NCCOCc1ccccc1)c1cc(Br)ccc1Cl 177055685 VFGHIYLXYQJYBF-UHFFFAOYSA-N 368.658 4.049 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)N[C@H](C)c3ccccc3)o2)c1 224843559 MZXPLYHVOGRULH-OAHLLOKOSA-N 350.418 4.160 0 40 FIAB CC[C@@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(OC)cc1 225488588 ZLTSOZIWEVUPRK-QGZVFWFLSA-N 372.490 4.228 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(C(F)(F)F)c1 225518214 AOSXBCASGBEBGM-OAHLLOKOSA-N 355.331 4.318 0 40 FIAB COc1ccccc1NC(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 225770587 OHUBUJAWWMPEDO-UHFFFAOYSA-N 372.812 4.063 0 40 FIAB O=C(CCc1cnc[nH]1)N1CCC[C@@H](Cc2csc3ccccc23)C1 505177025 QDFFARGJRCUICD-HNNXBMFYSA-N 353.491 4.038 0 40 FIAB O=C(NCc1nc(C2CCCCC2)cs1)c1ccc2nsnc2c1 575608938 MEEDKQUGYHPIAU-UHFFFAOYSA-N 358.492 4.126 0 40 FIAB O=C(NCc1nccnc1-c1cccs1)c1ccccc1C(F)(F)F 575621337 VDJZZGPOEVXMBR-UHFFFAOYSA-N 363.364 4.154 0 40 FIAB CC(C)N1Cc2ccccc2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 585105733 PWAHRIJPRRVEMU-UHFFFAOYSA-N 362.517 4.014 0 40 FIAB CCSc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(n1cc(C)cn1)C2 1889148919 DYUVNGFTOJMRCC-HOTGVXAUSA-N 355.507 4.312 0 40 FIAB O=C(Nc1ccccc1O)c1ccc(Br)cc1Br 682488 HLUVDBHJCGHFAX-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB COc1ccc(Cc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 2402320 VENHOGGRPGZSND-UHFFFAOYSA-N 359.838 4.043 0 40 FIAB COc1cc(C(=O)OCc2c(C)noc2C)ccc1OCc1ccccc1 2617773 NTGVEUBFEOWOIB-UHFFFAOYSA-N 367.401 4.236 0 40 FIAB COc1ccccc1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 2646044 NQUMFUFRBXFASV-UHFFFAOYSA-N 360.385 4.278 0 40 FIAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccccc1Cl 3347380 UOWUWOTWSJOSPF-UHFFFAOYSA-N 359.853 4.324 0 40 FIAB COc1ccccc1[C@@H](CNc1ncnc2sc(C)c(C)c12)N(C)C 3456085 ILSBBOYTMAJXHE-OAHLLOKOSA-N 356.495 4.032 0 40 FIAB O=C(Nc1nccs1)c1cc(-c2cccs2)nn1-c1ccccc1 3561932 WYGXTSWGGGESQV-UHFFFAOYSA-N 352.444 4.310 0 40 FIAB CCC[C@H](C)NC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3575981 XPZCYIJPJBLZOV-LBPRGKRZSA-N 364.540 4.295 0 40 FIAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 4156603 KXPCTCPHKOGHBC-QXUMQBBKSA-N 365.816 4.444 0 40 FIAB O=C(c1ccco1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273252 LLGZIZFHEBGNCC-UHFFFAOYSA-N 353.378 4.270 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1 4487779 GFHBOVFBJGFWDF-UHFFFAOYSA-N 364.401 4.355 0 40 FIAB O=C(CCSc1ccc(F)cc1)Nc1nnc(-c2ccc(F)cc2)o1 4496869 JLNDSNIBHSGRNI-UHFFFAOYSA-N 361.373 4.136 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C)cc2)n2ncnc2N1 4705298 WAJRPCCTTHLAPQ-FQEVSTJZSA-N 373.460 4.131 0 40 FIAB CC(C)(C)c1ccc([C@@]2(O)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 4722677 HGSHGGOQUPEAFA-SFHVURJKSA-N 365.351 4.071 0 40 FIAB CCCCc1ccc(N2C[C@H](C(=O)Nc3ccccc3OC)CC2=O)cc1 4893512 UPFICDQOAQWXST-QGZVFWFLSA-N 366.461 4.029 0 40 FIAB COCc1c(C(=O)OCCOc2ccccc2Cl)oc2ccccc12 5199185 HUEGMDSLSUOMCV-UHFFFAOYSA-N 360.793 4.468 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc(C)c(N2CCCCC2=O)c1 5441743 QTMUTIHOWJDDLB-UHFFFAOYSA-N 352.434 4.163 0 40 FIAB O=C1c2ccccc2N[C@H](c2cccs2)N1c1ccc2c(c1)OCO2 5701467 RBHJPAGAWWOGQI-SFHVURJKSA-N 350.399 4.248 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1Cl 5942643 IRNCFMNYMPNKLZ-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB Cc1ccc(C)c(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)c1 5986784 HKRKUFPPJQROKP-UHFFFAOYSA-N 373.566 4.161 0 40 FIAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)NC12CC3CC(CC(C3)C1)C2 6240075 YGAXQFOLZXNNCV-UHFFFAOYSA-N 372.818 4.381 0 40 FIAB CC(C)CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 6325907 ISOYHHLDROBWNZ-KRWDZBQOSA-N 366.461 4.103 0 40 FIAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2ccccc2)n1 6464285 LDMIKQXULRZDPA-UHFFFAOYSA-N 359.838 4.109 0 40 FIAB COC(=O)c1ccc(OC(=O)c2ccccc2OCc2ccccc2)cc1 6553641 VMTKWAYBLKRJPF-UHFFFAOYSA-N 362.381 4.271 0 40 FIAB O=C(CCc1nc2ccccc2o1)Nc1ncc(Cc2ccccc2)s1 6881581 KEVOLURUKPUCMB-UHFFFAOYSA-N 363.442 4.446 0 40 FIAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)C1CCCCC1 6939563 SXTJKOLZTMVJHX-UHFFFAOYSA-N 350.875 4.139 0 40 FIAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6940288 KUKUCDVKTTYEMS-KRWDZBQOSA-N 368.477 4.054 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 6956961 HGGPFDOMRFCITB-UHFFFAOYSA-N 363.211 4.270 0 40 FIAB Cc1c(C(=O)Nc2cc(Cl)ccc2-n2cncn2)oc2ccc(F)cc12 7778292 MRXVFEARFPAEIR-UHFFFAOYSA-N 370.771 4.367 0 40 FIAB COc1ccccc1N1C[C@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O 7928999 JBDQPHSECUVQBF-MRXNPFEDSA-N 367.445 4.086 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc2ccc3ccccc3n12 7997309 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CN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 9689939 HUNHIOYVQXHTEX-UHFFFAOYSA-N 356.472 4.334 0 40 FIAB CCN1CCOc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2C1=O 9828144 SSZHKRVDBKRMJY-UHFFFAOYSA-N 366.461 4.091 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3nccs3)cc(-c3cccs3)nc21 9953201 FOCQSZIPCFQAPD-UHFFFAOYSA-N 369.475 4.450 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2cc(F)ccc2s1 10030655 AXEKYIVQTLLDNK-OAHLLOKOSA-N 358.438 4.200 0 40 FIAB Cc1ccc(C(=O)[C@@H](Sc2nc3ncccn3n2)c2ccc(C)cc2)cc1 10073456 PJETWZVJUMWFPS-IBGZPJMESA-N 374.469 4.457 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc2c(c1)OCCO2 10506389 YEQJXRBVKDNPJM-UHFFFAOYSA-N 354.793 4.220 0 40 FIAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2Cl)c2cnn(C(C)C)c2n1 10965222 KXPJWCWNQOUWBP-ZDUSSCGKSA-N 356.857 4.465 0 40 FIAB O=C(CSc1ccccn1)NCc1ccc(-c2ccc(Cl)cc2)o1 12526517 GSEAPEWMUJZUMT-UHFFFAOYSA-N 358.850 4.404 0 40 FIAB CC(C)Oc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 12655092 LESCVVQTBGYIGP-UHFFFAOYSA-N 371.824 4.107 0 40 FIAB Cc1c(-c2nnnn2-c2ccccc2)oc2ccc(Br)cc12 12786824 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356.809 4.304 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 16968949 IEUMFALYSBRGRY-UHFFFAOYSA-N 351.490 4.462 0 40 FIAB Cc1ccc(NC(=O)Cn2cc(C=O)c3cc(Br)ccc32)cc1 17076037 FGILYCZEHNTQHE-UHFFFAOYSA-N 371.234 4.163 0 40 FIAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)cc1 19209639 ANYOWTRCVYYJMB-HXUWFJFHSA-N 360.461 4.076 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cccc2cc(C(F)F)nc1-2 19455808 BHTXHHMHCSWUOB-AWEZNQCLSA-N 357.404 4.063 0 40 FIAB CCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 20796361 JAMLRQVQWXGTJT-GFCCVEGCSA-N 372.881 4.193 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1 21786154 GKLAMNYOIOOMCY-UHFFFAOYSA-N 370.792 4.327 0 40 FIAB CC(C)(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O 22000244 GIBVZIBIYQNMMO-UHFFFAOYSA-N 358.781 4.318 0 40 FIAB COc1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)c(OC)c1 23489939 SJPBVAFMMIMEQS-UHFFFAOYSA-N 354.233 4.283 0 40 FIAB COc1ccc([C@@H](CNC(=O)CC(C)C)c2c[nH]c3ccccc23)cc1 23573150 IEELYZHSKBEFLS-LJQANCHMSA-N 350.462 4.471 0 40 FIAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)s1 24074047 VBKLXTKGEUIECE-UHFFFAOYSA-N 351.427 4.116 0 40 FIAB C[C@@H](N[C@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1Cl 24808534 HRWVRJRPXOSOQI-PXAZEXFGSA-N 351.277 4.474 0 40 FIAB CCCCc1ccc(NC(=O)c2nn(C)c(C)c2Br)cc1 28222619 OZCYBRWAYSYAET-UHFFFAOYSA-N 350.260 4.086 0 40 FIAB O=S(=O)(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)CCCC2 28248326 VKFCQJNWCNSKKF-UHFFFAOYSA-N 362.451 4.115 0 40 FIAB CC(C)(c1ccccc1)c1ccc(OC(=O)CN2CCSC2=O)cc1 29478677 MYPSCMZTJNRTJQ-UHFFFAOYSA-N 355.459 4.087 0 40 FIAB CCOc1ccc(OCCSCC(=O)Nc2ccc3c(c2)CCC3)cc1 33047556 UMLUDOZIDREJJK-UHFFFAOYSA-N 371.502 4.325 0 40 FIAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2=O)c(C)c1 36635517 VCFAOWOZYHFXDU-GOSISDBHSA-N 350.462 4.281 0 40 FIAB CC[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl 36636354 ZUYSNMNBHNSARK-LLVKDONJSA-N 366.708 4.056 0 40 FIAB COc1ccc(CN(C(=O)Cc2cccc(C(F)(F)F)c2)C2CC2)cc1 39980615 BLBASHIBVLDXRX-UHFFFAOYSA-N 363.379 4.448 0 40 FIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccccc3)c12 45683746 GWOXKQVDESUEFF-UHFFFAOYSA-N 357.413 4.470 0 40 FIAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccc(C)c1 49536366 ACZYKKMEYHDSIM-NVXWUHKLSA-N 372.538 4.060 0 40 FIAB CN(C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 58141829 CZUCWLCKJZRELS-UHFFFAOYSA-N 351.277 4.131 0 40 FIAB Cc1cccc(C)c1NC(=O)Cn1c(-c2cccc(Cl)c2)csc1=O 58291153 HYUGKFRKWKIAOW-UHFFFAOYSA-N 372.877 4.486 0 40 FIAB CN(CC(=O)Nc1ccc2nc(C3CC3)sc2c1)c1ccc(Cl)cn1 58295245 VOIOTULMMOKBEH-UHFFFAOYSA-N 372.881 4.297 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1oc2ccccc2c1C 59315720 VYVWXBWSOXFHJV-CQSZACIVSA-N 371.458 4.026 0 40 FIAB COc1ccc2[nH]cc(C(=O)CN3CC=C(c4ccc(F)cc4)CC3)c2c1 61931424 SSLQVLSXEGMGOR-UHFFFAOYSA-N 364.420 4.288 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1C 69326880 BYWPPENERWBUIE-GFCCVEGCSA-N 358.492 4.486 0 40 FIAB COc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(OC)c1 71326261 VXCFZPMVJSHRSW-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB COc1ccccc1CC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 76017504 ZUYHCKRDBTZDPZ-HNNXBMFYSA-N 351.450 4.046 0 40 FIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccccc1C 76556350 WJEIMPCNRHZPCA-FQEVSTJZSA-N 363.461 4.107 0 40 FIAB Cc1csc(C2(NC3CCN(C(=O)OC(C)(C)C)CC3)CCCC2)n1 95963810 DZJVOIYVVHAGSH-UHFFFAOYSA-N 365.543 4.210 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccc(OC(C)C)cc1 96221346 DRGJYTIMLDWYGF-QGZVFWFLSA-N 364.397 4.330 0 40 FIAB biogenic CCOc1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3N2CCCCC2)cc1OC 100214029 OCZWASNPLHCUFR-PMACEKPBSA-N 372.553 4.180 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccc(CN3CCCC3=O)cc1)C2 102223468 WICZOVDHEZVUKS-SVMVAKDDSA-N 355.478 4.181 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5C[C@H](C)O[C@@H](C)C5)(C4)C2)C3)cc1 104001622 QHMHZANMOFTVBP-IUBVYARWSA-N 367.533 4.469 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1ccc(C)c(C)c1 218809659 ILBBSKCDOKOYQO-LJQANCHMSA-N 353.462 4.273 0 40 FIAB Cc1nc(NC(=S)NCc2ccccc2)c(Cl)cc1Br 223921515 GDTWSURCUZXOFJ-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)c(C)c1 224125026 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409075439 YTUXTNUZOJNTKQ-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB O=C(NCC1(c2cccs2)CCCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 606982349 FCQVRECZWQREJZ-MRXNPFEDSA-N 372.538 4.262 0 40 FIAB Cc1ccc(NC(=O)N2CCC(C)(C)CC(C)(C)C2)cc1N1CCNC1=O 666917769 BYOPFZYBGZYMRO-UHFFFAOYSA-N 372.513 4.205 0 40 FIAB CC(C)(Cc1nc(-c2ccc(OC3CCOCC3)cc2)no1)C(F)(F)F 685311399 GWGMHDVCLVXOOA-UHFFFAOYSA-N 370.371 4.425 0 40 FIAB O=Cc1nc(Br)c(-c2ccc(OCc3ccccc3)cc2)[nH]1 1857794570 BCADCVIGSYZWFB-UHFFFAOYSA-N 357.207 4.231 0 40 FIAB Cn1nccc1-c1ccc(CCNC(=O)Cc2cccc3ccccc23)cc1 1889302870 UIIXUXNGPNNQHT-UHFFFAOYSA-N 369.468 4.142 0 40 FIAB COc1cncc(CN2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 2037988979 PVKKNUUWZDQLAY-JOCHJYFZSA-N 369.484 4.253 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 882237 DRZJTPBQEAAWSU-AWEZNQCLSA-N 365.458 4.115 0 40 FIAB COc1ccc(C(=O)COc2cccc(NC(=O)c3ccccc3)c2)cc1 993066 YKOAZJQINPUMKK-UHFFFAOYSA-N 361.397 4.209 0 40 FIAB O=C(Nc1ccccc1)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 1387988 GKGJHMIWZPGLDK-UHFFFAOYSA-N 363.204 4.323 0 40 FIAB Cc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)c(C)c1 2466967 BCUJLJHQHJCCAT-UHFFFAOYSA-N 363.442 4.087 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccccc1 2481418 PIIAFLMLSBVKFX-UHFFFAOYSA-N 356.809 4.112 0 40 FIAB O=C(CCCSc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 2619451 SNPXZXAPZHDSGX-UHFFFAOYSA-N 368.414 4.221 0 40 FIAB COc1ccc(C(=O)[C@@H](C)OC(=O)COc2cccc3ccccc23)cc1 3533794 IVVRLJKNZSNUOZ-OAHLLOKOSA-N 364.397 4.042 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1F)C1CCCCC1 3895809 CVHCPJIYJAXSPM-FQEVSTJZSA-N 368.452 4.072 0 40 FIAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(C)cc1 4130206 ZLWUHUQDDNVNNN-UHFFFAOYSA-N 351.475 4.172 0 40 FIAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc2ncsc2c1 4275936 NIBJNZZDTUDMIZ-UHFFFAOYSA-N 356.794 4.252 0 40 FIAB COc1cccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)c1 4276050 KBXHAYKTPBASOY-UHFFFAOYSA-N 370.217 4.366 0 40 FIAB O=c1oc2ccc(Cl)cc2n1CN1CCC(Cc2ccccc2)CC1 4398778 PWDIDOHDZCVMMV-UHFFFAOYSA-N 356.853 4.160 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2)c1 5360216 ULUMXBFRMYKBAL-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB CC(=O)[C@@H]1SC2=NC3=C(CCCC3)[C@H](c3ccc(Cl)cc3)N2C1=O 5379114 PGCXVMRPCRCHNS-HOTGVXAUSA-N 360.866 4.112 0 40 FIAB C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1ccc(F)cc1 6112624 IIQHTHBJXISCBZ-JTQLQIEISA-N 373.478 4.438 0 40 FIAB NC(=O)c1ccc(OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 6127133 LQJGVLBXDYNXFQ-UHFFFAOYSA-N 369.424 4.217 0 40 FIAB CCCN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O 6323882 NZYHCHBEVCNJBM-GDNBJRDFSA-N 357.387 4.091 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)S[C@H](C)C(=O)N2 6678902 ITVRHVUHBLHFBK-ACJLOTCBSA-N 367.449 4.483 0 40 FIAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1ccccc1 7123474 ZGXSNEBECSCLMB-CQSZACIVSA-N 350.443 4.491 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)COc2ccccc2C)cc1OCC 7404912 RJGSEXRPOGIDDL-MRXNPFEDSA-N 357.450 4.049 0 40 FIAB CN(Cc1ccc(Br)cc1)Cc1nnc(-c2ccccc2)o1 7915218 DHBRWSXNPGOCAO-UHFFFAOYSA-N 358.239 4.131 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCc2sccc2[C@@H]1c1cccs1 7947103 VQGQWWMTCGWSLY-GOSISDBHSA-N 369.467 4.326 0 40 FIAB COc1ccc(-c2nc(-c3cc4c5c(c3)CC(=O)N5CCC4)cs2)cc1 8296890 FOTYOWVYPVZNJD-UHFFFAOYSA-N 362.454 4.321 0 40 FIAB CCc1nc2ccccc2n1CC(=O)NCc1ccc(Cl)cc1Cl 8424701 SSYOIUWLUHAVFU-UHFFFAOYSA-N 362.260 4.222 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)c1ncn(-c2ccc(Cl)cc2)n1 8715362 IHLNFVWIPGGUOS-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB COc1ccc(OC)c([C@@H]2CC(c3cnn(C)c3)=Nc3ccccc3N2)c1 8782671 BYFVYDWGXLJELA-FQEVSTJZSA-N 362.433 4.115 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3ccc4ccccc4c3)n2)cc1 9061537 RCDXUQSTEBVKJH-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1c[nH]c(=S)n1-c1ccccc1 10193714 QUTPHESAONCABV-UHFFFAOYSA-N 356.476 4.122 0 40 FIAB COc1ccccc1-c1nnc2sc(-c3cc(C)nc4ccccc34)nn12 12407702 HSFRPYBUTCFUHM-UHFFFAOYSA-N 373.441 4.385 0 40 FIAB CN(C)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12522171 NETAKOMFFHLQIC-UHFFFAOYSA-N 365.458 4.063 0 40 FIAB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CCC(C)C)ccc2C)c1 12536017 IUEWZEAJVNPALO-UHFFFAOYSA-N 374.506 4.479 0 40 FIAB Cc1cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)ccc1Br 12556386 QBOUAEWDLNHWFF-QGZVFWFLSA-N 359.267 4.189 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(Cl)c(Cl)c1 12758312 KBHASCGQONRMIE-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB CC(C)c1noc([C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 12939620 VRARNLRMHZVVQK-SNVBAGLBSA-N 371.268 4.131 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCCCC1 13648971 ZGCMJHQGASJDFT-SFHVURJKSA-N 360.542 4.134 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1 13956948 PBSNFCQEMIGIBS-UHFFFAOYSA-N 355.854 4.239 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1csc(-c2cccs2)n1 14231556 GNBHFHSYLFOIGF-AWEZNQCLSA-N 373.503 4.032 0 40 FIAB COc1cc(NC(=O)COc2ccccc2C(C)(C)C)cc(OC)c1OC 15511234 ASJVYXMCVHQBHK-UHFFFAOYSA-N 373.449 4.027 0 40 FIAB Cc1ccc(-c2cnn3c(O)cc([C@H](C)n4ccnc4C(C)C)nc23)cc1 19212931 YWGRCYASQCMFFY-HNNXBMFYSA-N 361.449 4.340 0 40 FIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3)[C@@H]3CCCC[C@H]32)cc1OC 19561439 AINVUQRLJAEZAP-UBBRYJJRSA-N 352.478 4.161 0 40 FIAB CC[C@H](CN1CCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C 19654436 XCEAOZXQKYZNRE-HXUWFJFHSA-N 363.509 4.150 0 40 FIAB CCOc1ccc(CCC(=O)Nc2cccc(C(C)=O)c2)cc1OCC 22531739 ITKYUTXANXUKJV-UHFFFAOYSA-N 355.434 4.258 0 40 FIAB O=C(c1ccc(OCc2cccnc2)cc1)N1CC[C@H]2CCCC[C@@H]2C1 23113963 IIZDIDKMIAESAL-UYAOXDASSA-N 350.462 4.313 0 40 FIAB O=C1CCCN1Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1 23151771 KEQGSVLQZCBAHW-UHFFFAOYSA-N 366.436 4.009 0 40 FIAB COc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)cc1OC 28047711 AAQCWIDUOMWSRU-UHFFFAOYSA-N 357.793 4.167 0 40 FIAB Cc1ccc(Cn2cc(NC(=O)CCc3ccc(Cl)cc3)cn2)cc1 28244337 BBVPXOMMKUAWKM-UHFFFAOYSA-N 353.853 4.465 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 30994423 NRRFZSDYODRNMM-HNNXBMFYSA-N 371.456 4.323 0 40 FIAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N3CCC[C@H](C)C3)c(N)c12 32117836 JXDXAZNUMHFZRG-QMMMGPOBSA-N 357.401 4.078 0 40 FIAB Cc1ccc2nc(C)c(C(=O)N(C)CCOc3ccc(F)cc3)cc2c1 32854591 ZAJWRFDTPKQUPT-UHFFFAOYSA-N 352.409 4.142 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@H]4C)o3)cc2NC1=O 32970130 BZVQTBXEKRWMNG-XUJVJEKNSA-N 370.474 4.108 0 40 FIAB COc1cc2ccccc2cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C 32983599 ZMGXAURLYSWZFQ-HXUWFJFHSA-N 366.436 4.020 0 40 FIAB CCCCOC(=O)c1ccnc(-c2cc(C(=O)OCCCC)ccn2)c1 35653980 XJRBANJUKBOCLR-UHFFFAOYSA-N 356.422 4.057 0 40 FIAB O=C(CCSc1nnc(NC2CC2)s1)Nc1ccc(Cl)cc1F 40025057 HTGQONKXASZIGV-UHFFFAOYSA-N 372.878 4.026 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCc2ccccc21 44902166 AJPPOIXNTLCYRV-NRFANRHFSA-N 366.505 4.030 0 40 FIAB CSc1ccc([C@H](C)NC(=O)C[C@@](O)(c2ccco2)C(F)(F)F)cc1 48355715 WUVHOFGUBAHHIO-MEDUHNTESA-N 373.396 4.019 0 40 FIAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCO1 60290282 QWWUXLYLNMNHPA-ZDUSSCGKSA-N 365.886 4.122 0 40 FIAB COc1cc2c(cc1OC)CN(c1nc3c(C)ccc(C)c3s1)CC2 62017509 DEPHOIGHDZMGPC-UHFFFAOYSA-N 354.475 4.493 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1cccnc1SC(F)F 71813061 HVGLWHXQTADHMA-UHFFFAOYSA-N 372.780 4.073 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1cccc(Cl)c1 72328878 WFZNPFVSDHNKKG-CQSZACIVSA-N 353.853 4.481 0 40 FIAB COc1ccc(CN2C[C@H]3C[C@H](c4cccs4)N4CCC[C@@]34C2)cc1 72342205 POZRIAYNGJCFQS-YFVAEKQCSA-N 354.519 4.168 0 40 FIAB Cc1cccc2c1C(=O)NCCN2C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 95458588 RFTXBXHZHHEWHS-UXHICEINSA-N 370.452 4.028 0 40 FIAB Cc1cc(C(=O)NCCn2nc(-c3cccs3)cc2C2CC2)c(C)o1 96121592 SKFVWHUWJBBUDD-UHFFFAOYSA-N 355.463 4.129 0 40 FIAB C[C@@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 109010615 FBMQDKXUHHBONW-YLAKUSLOSA-N 366.461 4.194 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)ccc1C 218952181 FZNWKNBNYHOVQD-GOSISDBHSA-N 369.461 4.109 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)Nc1cccc(Br)c1 223686136 AGVRJSLNRTWSGS-UHFFFAOYSA-N 360.251 4.345 0 40 FIAB CCCO[C@@]1(C(=O)Nc2ccc(OCCOCC)cc2)CCC[C@@H](C)C1 225664645 CNVNCQZYEJJIOG-UTKZUKDTSA-N 363.498 4.416 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=O)c1cc(C(C)C)c(OC)cc1C 225669429 RDUAFAASJRGJSZ-INIZCTEOSA-N 371.477 4.333 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cn1 225864498 CKAFXQMRAOPWPX-UHFFFAOYSA-N 354.450 4.330 0 40 FIAB CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)cc1 226860869 GNPDFCJCIFDANO-UHFFFAOYSA-N 367.854 4.182 0 40 FIAB CC(C)[C@H](C(=O)NC(C)(C)C)N(C(=O)c1ccccc1)[C@@H](C)c1ccco1 255188525 KJLFDBSOVIPOJE-QFBILLFUSA-N 370.493 4.422 0 40 FIAB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2OC)c2ccccc21 409114526 GWXZWAKJKQCQOC-WJDWOHSUSA-N 353.418 4.010 0 40 FIAB O=C(Nc1cccc2c1CCCC2)N[C@H]1CCO[C@H](c2ccncc2)C1 566544899 WIWORPZISCZIMJ-PXNSSMCTSA-N 351.450 4.002 0 40 FIAB O=C(C[C@@]12CCCC[C@H]1C2(F)F)Nc1ccccc1N=c1cc[nH]cc1 614255652 UFLFCLSVGKMRAG-MJGOQNOKSA-N 357.404 4.401 0 40 FIAB C[C@@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)F)nc1 657888370 LSBSREXXWUKKIF-OAHLLOKOSA-N 373.447 4.222 0 40 FIAB COc1cccc(NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)c1 956939173 WYWHXSXGJZXVNE-UHFFFAOYSA-N 368.506 4.398 0 40 FIAB COc1ccc(C(NC(=O)/C=C/c2ccco2)c2ccc(OC)cc2)cc1 867400 YHHXVTOQBYOGBY-BUHFOSPRSA-N 363.413 4.216 0 40 FIAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 990062 ICOJCZIXFUUTGA-XMMPIXPASA-N 371.436 4.002 0 40 FIAB O=C(COc1cccc2cccnc12)Nc1ccc(OC(F)(F)F)cc1 2627561 NJPXTQHMDPVEET-UHFFFAOYSA-N 362.307 4.151 0 40 FIAB O=C(COc1ccccc1)Nc1nc2ccc(Br)cc2s1 3164124 ONXGJIRSSOTHAA-UHFFFAOYSA-N 363.236 4.076 0 40 FIAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1 3344195 URMMTIRHDVYOKO-UHFFFAOYSA-N 360.379 4.433 0 40 FIAB CSc1nc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2s1 3397159 QUCKKVSMCPODBC-XVNBXDOJSA-N 370.455 4.399 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 3441645 BGXNHWOMYQQVSG-UHFFFAOYSA-N 364.264 4.383 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@H](C)[C@H](C)C3=O 3871223 DOQZDHYXBAJGFY-NWDGAFQWSA-N 370.445 4.449 0 40 FIAB CC[C@H](C)Sc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 4079413 ZKHIXYYZXBECBE-QMMMGPOBSA-N 357.888 4.343 0 40 FIAB Cc1coc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc12 4744204 UIDJKVRCHXUCOP-UHFFFAOYSA-N 361.397 4.015 0 40 FIAB CC(C)Sc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 5047466 TZNQPBRLZYVACX-AWEZNQCLSA-N 363.483 4.379 0 40 FIAB Cc1nc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cs1 5834075 QPRZDDVCQJXUGZ-UHFFFAOYSA-N 365.867 4.054 0 40 FIAB CCCCn1nc(C(=O)Nc2c(C)cccc2CC)c2ccccc2c1=O 6152500 FXZPFOQEGQNECE-UHFFFAOYSA-N 363.461 4.320 0 40 FIAB COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CCC2 6440946 RBGAJBPECYJAJT-UHFFFAOYSA-N 361.488 4.144 0 40 FIAB CNc1oc(/C=C/c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 6756916 WWVYPSXMCPKYIH-JXMROGBWSA-N 360.460 4.089 0 40 FIAB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)Cc1nc2ccccc2s1 7689184 SSZLTGDYUQVBEN-LBPRGKRZSA-N 359.882 4.409 0 40 FIAB Cc1cc(C)c(NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c(C)c1 7927274 PAGABEWRNUBVCG-GOSISDBHSA-N 372.534 4.293 0 40 FIAB Clc1snnc1CSc1nnc(-c2cccs2)n1C1CC1 8185423 JGUYOTPZIWLCKZ-UHFFFAOYSA-N 355.901 4.139 0 40 FIAB CCN(C(=O)Cn1c(-c2cncs2)nc2ccccc21)c1ccccc1 9184843 RQECCEVNIOMVKB-UHFFFAOYSA-N 362.458 4.213 0 40 FIAB CCc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](c3c[nH]c4ccccc34)C2)c1C 12221268 PJXJLZRLMIPRDJ-CABCVRRESA-N 350.466 4.218 0 40 FIAB O=C(OCc1cc(-c2cccs2)on1)c1c[nH]nc1-c1ccccc1 12507236 QOUFMAYVBOWIHY-UHFFFAOYSA-N 351.387 4.150 0 40 FIAB Cc1c(C(=O)NCCc2nc3ccccc3[nH]2)oc2c(Cl)cccc12 12531645 AYPAMIFKFQYARA-UHFFFAOYSA-N 353.809 4.243 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)c(Cl)c1 12749886 CQLYRDQTDUBPLI-UHFFFAOYSA-N 369.852 4.004 0 40 FIAB Cc1nnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 12852477 HFJGLKRVHTYVOW-UHFFFAOYSA-N 369.515 4.187 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCSc2ccccc21 12973997 ZUHXBKSWDNONMO-UHFFFAOYSA-N 353.472 4.266 0 40 FIAB C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(F)cc1 14054279 RGGRJCITVWZNBZ-ZDUSSCGKSA-N 367.399 4.130 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C1 17072685 MIXUKRDYIKOGCP-CQSZACIVSA-N 350.393 4.241 0 40 FIAB CC(C)c1nccn1[C@@H](C)C(=O)N1CCC[C@@H](COc2ccccc2F)C1 19454275 MCZBVYQAHYZVBH-DLBZAZTESA-N 373.472 4.024 0 40 FIAB CCOCCCNc1ncc(-c2nccn2C)c(-c2ccc(Cl)cc2)n1 19531046 CIIQFUWZCYSBEW-UHFFFAOYSA-N 371.872 4.036 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1Cl)N[C@H]1CCCc2ccccc21 20486851 KXIWNUHHEIIMQP-KRWDZBQOSA-N 370.301 4.490 0 40 FIAB O=c1c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c[nH]c2ccccc12 20723325 BZELVXHTXZIKJM-UHFFFAOYSA-N 357.291 4.264 0 40 FIAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 22327513 ADECDAMUENUUQV-UHFFFAOYSA-N 361.829 4.066 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N2CCCSc3ccccc32)cc1 23228381 WXSQGHRLRDULJR-UHFFFAOYSA-N 355.459 4.187 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 24618429 MFJXKGYGZYANBL-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB Clc1cccc(-c2noc(CSc3nnc(-c4ccncc4)o3)n2)c1 26429689 WAWJDYHNSVHGID-UHFFFAOYSA-N 371.809 4.127 0 40 FIAB CC(=O)c1ccc(SCC(=O)Nc2ccc3oc(C)nc3c2)c(F)c1 27013418 XKHDWMWRFQOQDK-UHFFFAOYSA-N 358.394 4.209 0 40 FIAB O=C1CCCCC[C@H]1Sc1nnc(COc2ccccc2Cl)o1 29251672 ZLHNXVNICMCFRN-CQSZACIVSA-N 352.843 4.296 0 40 FIAB COc1ccc(CN(C)C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1 30894656 BJIJMYNJAOCXNX-UHFFFAOYSA-N 374.506 4.322 0 40 FIAB Cn1ncc2c1CCC[C@H]2NCc1ccc(OCc2cccc(F)c2)cc1 30908857 YDAIRDCLMAMNNQ-OAQYLSRUSA-N 365.452 4.305 0 40 FIAB Cc1ccc(NC(=O)c2ccc(CSc3cn[nH]n3)cc2)cc1Cl 32117950 WKSZTRUSVSPMBE-UHFFFAOYSA-N 358.854 4.311 0 40 FIAB Cc1cccc(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)n1 32561634 ZOOMDBJJFSGMEU-UHFFFAOYSA-N 367.352 4.193 0 40 FIAB Fc1cccc(-c2cc3nc4c(c(NCc5cccnc5)n3n2)CCC4)c1 35315174 JUXSMXVAUSJGQS-UHFFFAOYSA-N 359.408 4.031 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2nsnc12 35672849 CQPBGSWNXROHDZ-LBPRGKRZSA-N 355.463 4.395 0 40 FIAB CC(C)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1 37385878 FCINDBJRUBHEEV-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB COc1cc(NC(=O)N(C)Cc2cccc(Cl)c2)cc(OC)c1OC 40096241 SSWJLNWBSFQJCU-UHFFFAOYSA-N 364.829 4.030 0 40 FIAB C[C@@H](Sc1ccccc1F)C(=O)NC1CCN(Cc2ccccc2)CC1 42095799 XBRPSIATCXYLQG-MRXNPFEDSA-N 372.509 4.087 0 40 FIAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1ccc(Cl)cc1F 42706951 MARZOYFQYAXHMT-UHFFFAOYSA-N 359.788 4.007 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c(OC)c1 44837989 ZHRGIOWLMDEQAP-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CCOc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44911251 OFUKIYFVLJPRAF-QGZVFWFLSA-N 356.441 4.075 0 40 FIAB CCCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46079029 IRQIPHUDGBKKQT-UHFFFAOYSA-N 368.452 4.339 0 40 FIAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(Cl)c3Cl)c2)n1 47318179 RGXKVTNDYAPGOO-UHFFFAOYSA-N 374.227 4.304 0 40 FIAB Cc1cccc(C)c1OC1CCN(C(=O)Nc2nnc(C3CC3)s2)CC1 47347517 ZQZQDUJDTQVLOU-UHFFFAOYSA-N 372.494 4.108 0 40 FIAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccccc3O)c12 48249710 OKMLYYWYWVHSRR-UHFFFAOYSA-N 363.348 4.295 0 40 FIAB COc1cc([C@@H](C)NC(=O)c2ccc(C)nc2)ccc1OC1CCCC1 48341619 QRTWTTCZGGIKCZ-OAHLLOKOSA-N 354.450 4.211 0 40 FIAB Cc1ccccc1CN1CC=CC[C@H](C(=O)NCc2ccc(F)cc2)[C@H]1C 57776453 MYULRNQKKMLGLF-GCJKJVERSA-N 366.480 4.217 0 40 FIAB CCNC(=O)[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1 61906126 QZFJAMOWNUNMME-LBPRGKRZSA-N 362.823 4.097 0 40 FIAB CC(C)CN1CCC(NC(=O)[C@@H](C)Sc2ccccc2Cl)CC1 65493033 DVQKZXKGFRGZPS-CQSZACIVSA-N 354.947 4.057 0 40 FIAB O=S(=O)(Nc1cccc(F)c1)c1cccc(COc2ccccc2)c1 72265353 YWGZTFHHBUBXDJ-UHFFFAOYSA-N 357.406 4.206 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c1OC 72403052 NRENBTNNTJDLLG-CQSZACIVSA-N 369.446 4.134 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2cccs2)cc1OC 72406185 RRPMAUYHTTYXQD-CQSZACIVSA-N 369.446 4.134 0 40 FIAB Cc1cc(C)nc(SCc2ccc(C(=O)NCc3cccc(F)c3)o2)n1 79488146 UHZAXQRGAYPDHK-UHFFFAOYSA-N 371.437 4.048 0 40 FIAB Cc1ccc(-n2nc(C(=O)N(CC(F)(F)F)C(C)C)c3c2CCC3)cc1 84177480 MGBGVPYDSKGFAH-UHFFFAOYSA-N 365.399 4.082 0 40 FIAB Cc1nc(COc2ccc(C(=O)NCC3CCCCCCC3)cc2)no1 84281396 QGSYMHZMWMPTCU-UHFFFAOYSA-N 357.454 4.047 0 40 FIAB COc1ccc(N(Cc2cccs2)C(=O)c2cnc3n2CCCC3)cc1 89444133 XGMJJXPBRCJACY-UHFFFAOYSA-N 367.474 4.137 0 40 FIAB CCN(CC)CCCNC(=O)c1cc2c(c3ccccc3n2C)n1C(C)C 96037278 XSYSEJMEKUMTAR-UHFFFAOYSA-N 368.525 4.176 0 40 FIAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccoc4)CC3)cc21 96099942 QUHZHJSKAGBQNK-UHFFFAOYSA-N 373.460 4.003 0 40 FIAB Cc1ccc(N2CCC[C@@]3(CCN(Cc4ccc(Cl)c(F)c4)C3)C2)nn1 96217072 FAGRCVCRUZVKQK-FQEVSTJZSA-N 374.891 4.070 0 40 FIAB CC(C)c1ccc(CN2CC[C@]3(CCCN(c4nncs4)C3)C2)cc1 96217196 MKGXKMDYWZTHRR-HXUWFJFHSA-N 356.539 4.154 0 40 FIAB COc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2cccs2)c1 97165230 XMCPOQHRAYIOSZ-INIZCTEOSA-N 352.415 4.341 0 40 FIAB Cc1cc(=O)oc2cc(NC(=S)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)ccc12 101115515 WJCKIJRHIKLOKZ-ZOMKSWQUSA-N 356.491 4.213 0 40 FIAB Cc1cc(F)cc2c1N(C(=O)c1cnc(-c3ccccn3)s1)CCC2 108975846 JZWMVYOFVMNDLG-UHFFFAOYSA-N 353.422 4.246 0 40 FIAB COc1ccc(CCC(=O)N2CCS[C@H](c3ccccc3F)CC2)cc1 219104133 WXLMEFFNEYLOEO-FQEVSTJZSA-N 373.493 4.474 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3Cl)n2)cc1 220021152 FTCSTRVTSUNVQY-UHFFFAOYSA-N 369.852 4.290 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222853531 RGMPRXKNIAHLKL-WOJBJXKFSA-N 362.502 4.253 0 40 FIAB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 223111574 MPNCSCMZANWRGG-UHFFFAOYSA-N 367.873 4.427 0 40 FIAB CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224985236 IKPUZWRHBNZKMM-UHFFFAOYSA-N 371.911 4.286 0 40 FIAB CN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 225634088 WWGMJPOLFNQJSQ-UHFFFAOYSA-N 364.489 4.291 0 40 FIAB C[C@@H](O)c1ccc(CCNC(=O)Nc2ccc(C(F)(F)F)cc2)s1 225690581 GTPQCOIVPFUJFS-SNVBAGLBSA-N 358.385 4.184 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225787637 KNXJZSIOIRULBS-HNNXBMFYSA-N 374.506 4.236 0 40 FIAB Cc1cc(C)nc(Nc2cccc(C(=O)N(C)c3ccc(F)cc3)c2)n1 225914876 NVYFJFBYZKVYTE-UHFFFAOYSA-N 350.397 4.253 0 40 FIAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O 409018450 HLCWGFRETDPBPB-VAKHEIKFSA-N 355.463 4.324 0 40 FIAB C[C@@H](N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(-c2ccncc2)c1 539040253 LRGNSZPECZRFAX-WZONZLPQSA-N 371.484 4.200 0 40 FIAB O=C(O)[C@H](c1cccc(Cl)c1Cl)N1CC[C@H](c2cccnc2)C1 573807956 FIIJOQQTIHSUMQ-LRDDRELGSA-N 351.233 4.004 0 40 FIAB Cc1ccc(C2(CNC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)CCC2)cc1C 683994613 PHXXHVZRXHYREA-GOSISDBHSA-N 366.509 4.037 0 40 FIAB O=C(N/C(C(=O)N1CCCCC1)=C(/Cl)c1ccccc1)c1ccccc1 1488961 FGCZYICKZZNEEU-VHEBQXMUSA-N 368.864 4.037 0 40 FIAB COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OC 1929708 MUYSWZSFXKEMNS-CMDGGOBGSA-N 361.825 4.326 0 40 FIAB Cc1nn(CCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 2126379 QMDLUNXWUGBDBI-ZSRQGECASA-N 369.553 4.305 0 40 FIAB CC(C)Cc1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2 2330095 OIELIBZKYYFAMK-UHFFFAOYSA-N 373.460 4.465 0 40 FIAB CCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)Nc1ccccc1-2 2736618 WPLJSLYCTLWPFB-INIZCTEOSA-N 354.410 4.293 0 40 FIAB CCCCOC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2807297 NKCVLVBDNVHSQM-UHFFFAOYSA-N 363.339 4.372 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(N)s2)c2ccccc2)c1 3221811 HPCHOJFEBOGXEJ-HNNXBMFYSA-N 370.503 4.209 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)c1 3443626 UFVSOQAYOLMNKU-UHFFFAOYSA-N 355.459 4.288 0 40 FIAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1C1CCCC1 3446654 AOJOLYTVHMMVDH-UHFFFAOYSA-N 355.463 4.409 0 40 FIAB C[C@@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902439 WSJCDIBESNMSPH-NEZYRJPUSA-N 351.284 4.372 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O 4026837 YJPIDPAGJSWWBE-SHUHUVMISA-N 372.461 4.025 0 40 FIAB Cc1cc2nc(N(CCN(C)C)C(=O)c3ccccc3F)sc2cc1C 4586163 YLNAZFHVYLNWEQ-UHFFFAOYSA-N 371.481 4.261 0 40 FIAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccccc1 4816836 FQTYWHSZCZWEJE-ZWKOTPCHSA-N 366.852 4.409 0 40 FIAB CCOC(=O)c1sc2nc(/C=C/c3ccc(Cl)cc3)[nH]c(=O)c2c1C 5071163 HBQRGRORPXDUQV-RMKNXTFCSA-N 374.849 4.294 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cccc(F)c2)nc1-c1ccccc1 5193359 GTUNPWXJEQOUPJ-UHFFFAOYSA-N 370.405 4.378 0 40 FIAB CC[C@]1(C)C[C@@](CCNS(=O)(=O)c2ccc(C)cc2)(C(C)C)CCO1 5478102 DXAOAYWMNMKZIG-UXHICEINSA-N 367.555 4.285 0 40 FIAB Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 5617778 BVINOQSSXDWRMU-UHFFFAOYSA-N 369.417 4.219 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6566134 XUAYWOYOIPHPFU-LAUBAEHRSA-N 365.473 4.134 0 40 FIAB CN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 6664745 KVVZETFYGOQJKH-ZDUSSCGKSA-N 374.271 4.337 0 40 FIAB CCn1c(SCC(=O)c2ccc3c(c2)OCCCO3)nc2ccccc21 7153881 IAVRPLQPYIMCDG-UHFFFAOYSA-N 368.458 4.193 0 40 FIAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)s1 7402837 OZTSNESGUOAXGD-UHFFFAOYSA-N 366.689 4.273 0 40 FIAB Fc1ccccc1COc1ccc(Cl)cc1CNn1cn[nH]c1=S 7602599 JEOSSGSCMABHMR-UHFFFAOYSA-N 364.833 4.056 0 40 FIAB CCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCC2 7623435 NLRYUTAQBUMKMQ-UHFFFAOYSA-N 364.467 4.362 0 40 FIAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1ccc(Br)cc1 7645446 JVEUUIJYMHDOLJ-AWEZNQCLSA-N 362.267 4.322 0 40 FIAB COc1ccc(-c2nc(COC(=O)c3cccnc3SC)cs2)cc1 7657971 PTOBCIGFNLYDLD-UHFFFAOYSA-N 372.471 4.293 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(F)cc2)N1c1ccc2c(c1)OCO2 7885020 YZXJRVYOEVLVTP-HXUWFJFHSA-N 362.360 4.326 0 40 FIAB Cc1cc(C)n(CCCNC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 7990822 CNWQTELLWQJYPC-UHFFFAOYSA-N 357.454 4.188 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)COc3cc(C)on3)sc2C)cc1 9653440 DISKMNZRBORSDS-UHFFFAOYSA-N 371.462 4.385 0 40 FIAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cnn(C)c3)no2)cc1 12186584 MVCAXIDUXPTHOT-FQEVSTJZSA-N 366.465 4.201 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccccc1)c1ccccn1 12597891 CWDOBCKGEVFENR-NRFANRHFSA-N 366.848 4.328 0 40 FIAB CN(C)C(=O)Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 13715413 UWJJZZMZTHIPBM-UHFFFAOYSA-N 372.468 4.166 0 40 FIAB O=C(Nc1ccc(NC(=O)c2cccnc2Cl)cc1)c1ccccc1 14258415 CMTOJTLVNILIKH-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1 15860746 BQVPPOJIUQVDTB-OAHLLOKOSA-N 358.869 4.391 0 40 FIAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccncc1 17586131 IBPJPBPJRMAOSC-UHFFFAOYSA-N 368.234 4.467 0 40 FIAB CCOc1ccc(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1 19533208 GWIAMCJGLDUMGA-UHFFFAOYSA-N 350.466 4.045 0 40 FIAB CNc1cc(CN(C)CCC2=C(C)CCCC2(C)C)nc([C@H]2CCCN2)n1 19760759 NFTXFLPREKVANC-LJQANCHMSA-N 371.573 4.291 0 40 FIAB Cc1ccccc1-c1nc(NC(=O)COc2cc(C)c(Cl)c(C)c2)no1 21806673 DCYHTHZTXKPXAK-UHFFFAOYSA-N 371.824 4.333 0 40 FIAB OC1CCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 24001970 DFAZVLCDVJLEBI-UHFFFAOYSA-N 361.470 4.473 0 40 FIAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)c2cccc3ccccc23)n1 24063308 MZBPFDZEZFDEEC-HNNXBMFYSA-N 351.475 4.216 0 40 FIAB CC1(C)CC(N2CCN(c3ccccc3)CC2)=CC(=[N+]2CCCCC2)C1 25326391 NTKDUPSMATXNAA-UHFFFAOYSA-N 352.546 4.150 0 40 FIAB Cc1ccc2cccc(OS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1 25653590 CQFVKQCLLSIZLJ-UHFFFAOYSA-N 367.348 4.330 0 40 FIAB CCOC(=O)[C@@H](Sc1nccn1-c1cccc(F)c1)c1ccccc1 26106949 ZNSOYPYURIZBMI-KRWDZBQOSA-N 356.422 4.408 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2Cl)n(Cc2ccccc2)n1 28239736 FRQIFPQPYJXSAR-HNNXBMFYSA-N 369.852 4.299 0 40 FIAB CCc1ccc(CCC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32463184 CYNQECXIKVKPQU-UHFFFAOYSA-N 350.506 4.094 0 40 FIAB Cc1cccc(N2C(=O)/C(=C/c3csc(C)n3)c3ccccc3C2=O)c1 33039516 PHUHFAMXRDPLHW-YBFXNURJSA-N 360.438 4.488 0 40 FIAB COc1cccc(CNC(=S)Nc2ccc(Br)c(C)c2)c1 33861942 BWXMFKXLRLDOAK-UHFFFAOYSA-N 365.296 4.253 0 40 FIAB Cc1ncc(NC(=O)c2ccco2)n1-c1nc(-c2cccs2)cs1 35682832 ZDOINHPSXUAYSB-UHFFFAOYSA-N 356.432 4.211 0 40 FIAB Cc1nc(CSCCC(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)cs1 42398841 VAHCMARQUHJPSE-WBMJQRKESA-N 364.536 4.450 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1cccc(C(=O)NC2CC2)c1)c1cccs1 43874621 MTEQXIUVHUEWCU-QGZVFWFLSA-N 357.479 4.159 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2nc(Cc3csc(C)n3)sc2C)c1C 46814881 AKNTXPXFZNEWMX-UHFFFAOYSA-N 361.492 4.206 0 40 FIAB C[C@@H](NC(=O)Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1 48344884 YNWCTBUAJPQZJT-CQSZACIVSA-N 354.841 4.468 0 40 FIAB CCn1c(SCCCc2nc3ccccc3o2)nc2ccsc2c1=O 48364365 YWMVZMJZFZNLLJ-UHFFFAOYSA-N 371.487 4.344 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1 57416740 VQUFZRUITFHKIK-UHFFFAOYSA-N 367.880 4.401 0 40 FIAB CC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1cccs1 58214199 AFKMAJWPCNKUOX-QGZVFWFLSA-N 374.506 4.097 0 40 FIAB Clc1ccccc1/C=C/c1nc2ccccc2nc1N1CCOCC1 68734541 ONDUPVRRONTWIM-MDZDMXLPSA-N 351.837 4.290 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cn1ccc2c(C)cccc21)CC3 72325010 KKFDVEPFUOBIFG-UHFFFAOYSA-N 373.456 4.025 0 40 FIAB biogenic Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)co1 72350447 CXJLQWZLNRTGQN-MRXNPFEDSA-N 365.408 4.204 0 40 FIAB Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2C(=O)CC(C)C)n1 72383726 SFSXUYGSQPELSV-KRWDZBQOSA-N 353.470 4.023 0 40 FIAB C[S@](=O)Cc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1 73120360 FFCAKTCKOXCDJD-AREMUKBSSA-N 364.470 4.048 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccc(-c3cccc(C(=O)O)c3)o1)SCC(O)=N2 79485889 HPWJDTSYFIKZFI-INIZCTEOSA-N 369.402 4.101 0 40 FIAB CC[S@](=O)c1ccccc1C(=O)N[C@H](C)c1oc2ccccc2c1C 89274747 SXXXFQLXNZVIBX-DLUDVSRJSA-N 355.459 4.360 0 40 FIAB O=C(Nc1cccs1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607590 MXMQVBGJJXAULU-UHFFFAOYSA-N 371.384 4.237 0 40 FIAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 96052610 PKPAYLMAMOYRTK-IBGZPJMESA-N 366.505 4.215 0 40 FIAB COCCN(C)c1ccc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cn12 96264098 PRDNHVSALMJQOM-UHFFFAOYSA-N 365.477 4.398 0 40 FIAB Cc1cccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)c1 101070097 VOCIMWYNVAPIEV-KRWDZBQOSA-N 367.250 4.405 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)COc2ccc(F)cc2Cl)C1 102171066 FAHSDKDUSVMEKM-YZVOILCLSA-N 355.881 4.119 0 40 FIAB C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)[C@H]1C[C@H]2CC[C@H]1C2 105578878 FFHZCMYOVZVFAH-MXSMSXNCSA-N 353.466 4.000 0 40 FIAB O=Cc1cn(C(=O)OCc2ccccc2)c2cc(Br)ccc12 199814285 HHDGNDRCCIAXJR-UHFFFAOYSA-N 358.191 4.401 0 40 FIAB CC[C@H](C(=O)NC[C@](C)(O)c1cc2ccccc2s1)c1ccccc1 217501350 XVEWJSQUMUFRDZ-UWJYYQICSA-N 353.487 4.419 0 40 FIAB COc1cc(OC)cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 218893697 BZIABCXXSVONIZ-HNNXBMFYSA-N 371.477 4.258 0 40 FIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222958971 YZBXFCJGPGQHDG-MSOLQXFVSA-N 356.539 4.411 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223705301 RTEBCRRUPVFZSJ-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1cccc(OC)c1 224592532 HEBFGZKYTUDYAL-UHFFFAOYSA-N 371.477 4.449 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COC 224684409 UMHQSFUMSSRVMG-UHFFFAOYSA-N 364.239 4.247 0 40 FIAB CCOc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225779571 KBRDYHCRBQXSHR-UHFFFAOYSA-N 350.871 4.104 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2oc1=O 226042260 GKJQSPPXRQEFRD-ZDUSSCGKSA-N 355.821 4.198 0 40 FIAB CC[C@@H](c1ccccc1)c1nn2c(-c3c(C)nc4ccccn34)nnc2s1 227143333 GWJWXNAEDYGNNO-HNNXBMFYSA-N 374.473 4.351 0 40 FIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1c(Cl)cccc1Cl 408714191 KVVAJBITPGTEHA-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB Cn1cc([C@@H]2CCCCN2C(=O)CCc2ccc(C(F)(F)F)cc2)cn1 575607422 ONDWLMFMBVRPLP-KRWDZBQOSA-N 365.399 4.125 0 40 FIAB Cc1ccccc1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 575614993 LTCDRLMCDUGBDH-UHFFFAOYSA-N 365.399 4.295 0 40 FIAB CC(C)(C)c1ccc2[nH]c(C(=O)NCc3cnn(CC4CCC4)c3)cc2c1 1639615097 GDSUYNFNPYMSEM-UHFFFAOYSA-N 364.493 4.392 0 40 FIAB COc1cccc2cc(-c3nnc(-c4ccc(Cl)cc4)o3)c(=O)oc12 856269 JPAZQJNZSQQYTJ-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB COc1cc(OC)c(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1Cl 2637429 ILSVFYHQAZGVIW-UHFFFAOYSA-N 369.870 4.281 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1 3190358 DJLOAKLHZIMBFT-UHFFFAOYSA-N 366.442 4.172 0 40 FIAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 3317640 MMSONAUDXXIJPX-LLVKDONJSA-N 366.339 4.070 0 40 FIAB COc1ccc(Cc2nc(Cl)c3c4c(sc3n2)CCC4)cc1OC 3340134 FEVUMLUKAKFVAU-UHFFFAOYSA-N 360.866 4.441 0 40 FIAB CCCCCCC1=NN(C(=O)c2cccc(C)c2)[C@@](O)(C(F)(F)F)C1 4904995 IMNLQFLASXPIGU-KRWDZBQOSA-N 356.388 4.418 0 40 FIAB Cc1ccc(C(=O)C2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 4966655 KOBOGWNEWKIHLF-UHFFFAOYSA-N 364.489 4.145 0 40 FIAB COCCNc1nnc(SCc2ccc(Cl)cc2Cl)s1 5078558 ZXIVDYJIJQPZPV-UHFFFAOYSA-N 350.296 4.196 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 5180381 PSJVIOBOAOSNIY-UHFFFAOYSA-N 366.490 4.382 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)c1C 5635850 ARWZXJCSTAETEO-SFHVURJKSA-N 354.519 4.133 0 40 FIAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccn1 5692689 CMYDVQLUKLXTHK-OAQYLSRUSA-N 356.381 4.344 0 40 FIAB Cc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1F 5713788 HVXVQBOYJIZPRF-UHFFFAOYSA-N 351.377 4.012 0 40 FIAB CCN(C(=S)NC(=O)c1ccccc1Br)C1CCCCC1 5752616 ZDCVYGPWQVMTQF-UHFFFAOYSA-N 369.328 4.118 0 40 FIAB CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5864855 PSTNWNBFBVFCDZ-UHFFFAOYSA-N 371.487 4.498 0 40 FIAB COc1ccc(CCNC(=O)c2sc(-c3ccc(C)cc3)nc2C)cc1 6662707 KIVKHLBJKYYDEF-UHFFFAOYSA-N 366.486 4.408 0 40 FIAB Cc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)n(CC(C)C)c1C 6935387 VIOASDUDPIBXPN-SFHVURJKSA-N 357.523 4.268 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2cc3c(s2)CCCC3)cc1OC 6944698 NRHZMYMDBPKOGZ-UHFFFAOYSA-N 359.491 4.306 0 40 FIAB O=C(Nc1nc(-c2cccs2)cs1)c1cncc(Br)c1 6968444 VACKLESGNRDPLE-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 7447663 TZZJKHWELSZLBD-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB COc1cc(C(=O)O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 7604186 IYIQMUAVZJCVMR-UHFFFAOYSA-N 357.240 4.113 0 40 FIAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1SCc1ccccc1 7709863 DYQMNHFMCRPIAB-UHFFFAOYSA-N 374.487 4.385 0 40 FIAB Cc1cc(C(=O)COC(=O)c2cccs2)c(C)n1CCc1ccccc1 7735632 ZJZVZSLPAGCRSJ-UHFFFAOYSA-N 367.470 4.449 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@H]2COc3ccccc3O2)c2cccs2)cc1 7740092 APQRIJQKYFOQTH-UYAOXDASSA-N 365.454 4.102 0 40 FIAB Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccccc3Cl)n2)c1 7759866 NBFBHASKJCXIEV-MDZDMXLPSA-N 353.809 4.028 0 40 FIAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 7763894 MKMDMZMDLINBRL-UHFFFAOYSA-N 355.488 4.240 0 40 FIAB COCc1c(C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)oc2ccccc12 7778040 SFDAJJKLFHZBTI-NSHDSACASA-N 355.356 4.382 0 40 FIAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7929104 LGHMCGRAAJHOLF-SFHVURJKSA-N 359.425 4.415 0 40 FIAB CCCCCOc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 8014231 QVSNTHFVSSXPQX-CQSZACIVSA-N 368.433 4.227 0 40 FIAB CCOc1cc(CNC)cc(Br)c1OCc1ccc(F)cc1 8253967 GIMIUINBYMWGMC-UHFFFAOYSA-N 368.246 4.285 0 40 FIAB CN(Cc1ccccc1)C(=O)c1cccc(OCCOc2ccccc2)c1 8563429 LVPFJCGRSJZHDO-UHFFFAOYSA-N 361.441 4.417 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8798660 SVFDPWXBMFWIBH-UHFFFAOYSA-N 352.390 4.345 0 40 FIAB CCn1c(S[C@H](C(=O)O)c2ccccc2)nnc1-c1cccc(C)c1 9048826 ZXGHZNDMQMNSBJ-INIZCTEOSA-N 353.447 4.191 0 40 FIAB CCCOc1nn(CCC)cc1C(=O)N1CCC(Cc2ccccc2)CC1 9070634 PDIXSUGJXPCLRB-UHFFFAOYSA-N 369.509 4.177 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2F)o1 9154802 IJMXIZFKFXXQOY-VIFPVBQESA-N 350.346 4.280 0 40 FIAB CN1CCC[C@H](CNC(=S)Nc2ccc(Nc3ccccc3)cc2)C1 9876317 NIXCRBRFYJQIAS-MRXNPFEDSA-N 354.523 4.058 0 40 FIAB Cc1ccccc1CSCC(=O)NCCSCc1ccccc1F 10280270 ADPOJPXLGXFKNW-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)c2c1[C@@H](C)CC2=O 11052279 ZEODHBJIDZHKTH-ZDUSSCGKSA-N 357.837 4.034 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1c1ncnc2ccccc12 11248289 GZKZZUCAZLDAIS-GOSISDBHSA-N 366.852 4.199 0 40 FIAB C[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)C1 11922001 KFYGULPSRCJSAD-SFHVURJKSA-N 359.473 4.471 0 40 FIAB Cc1ccc(-n2cnnc2SCCC(=O)Nc2ccccc2)cc1Cl 12534262 UJRYCUDOZHAMEZ-UHFFFAOYSA-N 372.881 4.350 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(F)cc3F)cs2)cc1 12599370 TUWMWDPZHPEIIP-UHFFFAOYSA-N 374.412 4.490 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c(C)c1 14094440 DFWRTUWZBPVSFQ-RDTXWAMCSA-N 368.477 4.016 0 40 FIAB COc1ccc(NC(=O)CCc2c(C)noc2C)cc1Cc1ccccc1 14184053 RSBJJZGSBBQLRU-UHFFFAOYSA-N 364.445 4.462 0 40 FIAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(SC(F)F)cc1 15332037 OKPOGDFVZXKZJX-SNVBAGLBSA-N 367.373 4.136 0 40 FIAB CCOc1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)cc1OC 16841729 IONPRPWJVZHKSY-UHFFFAOYSA-N 362.389 4.201 0 40 FIAB CCC(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 17247744 AXXAPNBTYSVGSF-UHFFFAOYSA-N 360.816 4.421 0 40 FIAB CCCCOc1ccc(S(=O)(=O)n2ccnc2CC)c2ccccc12 19942762 OKWYPYRUOIQLEI-UHFFFAOYSA-N 358.463 4.015 0 40 FIAB O=C(O)c1cc(NC(=O)C(Cl)(Cl)Cl)c(Cl)cc1Cl 20136920 PGRAESUFDCBWAP-UHFFFAOYSA-N 351.400 4.000 0 40 FIAB O=C(Nc1ccc(N2CCCC2)nc1)C(c1ccccc1)c1ccccc1 20373439 ZCKZBCUNOAORFJ-UHFFFAOYSA-N 357.457 4.452 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 20455219 FWTYBJUHECYAHR-LSDHHAIUSA-N 359.491 4.452 0 40 FIAB COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1OC 20456372 HSEKALHXHLHKRF-HNNXBMFYSA-N 357.450 4.083 0 40 FIAB C[C@H]1CCCN(CC(=O)Nc2ncc(Cc3ccccc3Cl)s2)C1 22240644 BSKBFVKDNAOTKG-ZDUSSCGKSA-N 363.914 4.058 0 40 FIAB Cc1c(C(=O)N[C@H](C)c2ccncc2)cnn1-c1cccc(C(F)(F)F)c1 22990443 GHGOSZZKQBPADT-GFCCVEGCSA-N 374.366 4.086 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCCSc1ccc(Cl)cc1 24606099 OTKXSFHGTOBTFM-UHFFFAOYSA-N 356.274 4.281 0 40 FIAB O=C(CC1(C(=O)O)CCCCCC1)Nc1cccc(OC(F)(F)F)c1 24940725 FBIRUOFYCKNNAF-UHFFFAOYSA-N 359.344 4.339 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C(F)(F)F 27974229 DBVNXKOMXMQVMU-LLVKDONJSA-N 357.759 4.443 0 40 FIAB C[C@H](Nc1ccc2c(c1)CCO2)C(=O)Nc1ccccc1C(F)(F)F 28343929 AFDMUIPBHIWCRI-NSHDSACASA-N 350.340 4.079 0 40 FIAB CN1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1 30029469 ZEMCMWRRYMNWSC-DLENHJPASA-N 374.406 4.234 0 40 FIAB CCN(c1ccc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc1)C(C)C 30675560 LPNZFLKWEYEXCT-UHFFFAOYSA-N 365.477 4.083 0 40 FIAB Cc1csc(=O)n1CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 30889222 NEUZIBOKLSRPTQ-INIZCTEOSA-N 366.486 4.153 0 40 FIAB O=C(Nc1ccc(Br)cn1)c1ccc(-c2ccccc2F)o1 32647230 ZVAKKWQYOKLOLK-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB O=C(NCCc1ccccn1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 32657711 FYNKPUZLXHQREH-LHHMWQFHSA-N 360.501 4.279 0 40 FIAB COc1ccc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cn1 32958564 QBEWVBQMXGRNJI-UHFFFAOYSA-N 351.431 4.197 0 40 FIAB Cc1ccc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)c(C)c1 33703947 BHDDTPYDQRUHOM-UHFFFAOYSA-N 368.296 4.032 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 34173096 NNMJHVBZUSISMC-BORMIPFCSA-N 374.521 4.345 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)nc2n3C(=O)c3ccccc3-2)C1 36611799 DVOVHNDMMSNYFK-NSHDSACASA-N 364.470 4.278 0 40 FIAB CCn1cc(-c2cc(C(F)(F)F)nc(NCc3cccs3)n2)c(C)n1 36618576 SEEPHQIZWNHVPE-UHFFFAOYSA-N 367.400 4.361 0 40 FIAB O=C1C[C@@H](c2noc(-c3ccccc3F)n2)CN1c1ccc(Cl)cc1 44421684 QQXYUAJYYJXSIB-LLVKDONJSA-N 357.772 4.050 0 40 FIAB O=C(NCc1cccc(OCc2ccccn2)c1)c1c(F)cccc1Cl 46931521 QTWNFQCXWJNDMW-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c(-c2nc(C3CC3)n[nH]2)c1 47420932 YXNCUJOYYFLZKA-CQSZACIVSA-N 362.433 4.064 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1F)N1CCCC1 64471793 PKEJHAAKWBPMKM-UHFFFAOYSA-N 353.372 4.493 0 40 FIAB O=C(/C=C/c1c(Cl)nc2sccn12)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65814590 OTHIGYDCZOVOGV-VPQRWHKOSA-N 361.898 4.100 0 40 FIAB CCCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 67197673 UHQRNZRDYYKRAS-QGZVFWFLSA-N 369.461 4.208 0 40 FIAB COc1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)c(OC)c1 67339874 VQPZNJPVIRROMD-RMKNXTFCSA-N 353.374 4.111 0 40 FIAB CCN(C(=O)Nc1cccnc1Cl)[C@H]1CCN([C@@H](C)c2ccccc2)C1 72314424 JCKOLSXYZGGJIX-RDJZCZTQSA-N 372.900 4.424 0 40 FIAB OCCOc1ccc(NCc2c(F)cccc2Cl)c(C(F)(F)F)c1 78470623 DBZIRICXGFMFNK-UHFFFAOYSA-N 363.738 4.481 0 40 FIAB CCc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)s1 84369522 PJTXTGZOTJWKHH-QGZVFWFLSA-N 355.459 4.280 0 40 FIAB O=C(CCc1ccc(F)c(F)c1)N(Cc1ccccc1)CC1(O)CCCC1 84535625 JJHIEWKKJWBOFZ-UHFFFAOYSA-N 373.443 4.231 0 40 FIAB CCCCOc1ccc(NC(=O)N(C)[C@H]2CCN(CC)C[C@@H]2C)c(C)c1 89954814 CSPXWZBTQINIID-PXNSSMCTSA-N 361.530 4.368 0 40 FIAB CCN(C(=O)Nc1ccc(C)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 95942378 AQDNJHMQLASVHY-GOSISDBHSA-N 355.457 4.262 0 40 FIAB Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5)no4)cc3CO2)cc1 97097478 VLXSORGHBLCCER-LJQANCHMSA-N 358.401 4.180 0 40 FIAB COc1ccc(C2=C[C@H](c3ccccc3Cl)n3ncnc3N2)cc1OC 100755670 QWYPOOHEAOHPHF-MRXNPFEDSA-N 368.824 4.005 0 40 FIAB C[C@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@H]2CC[C@H]1C2 103112251 RTXZBUSSCJLHIH-GRNDBTHGSA-N 360.567 4.018 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1 118925881 DIZULACWHXKJSM-PQHHJXOYSA-N 374.521 4.345 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)COc1ccc(C)cc1 219376542 BFAPSDDVXHTGES-UYAOXDASSA-N 355.478 4.353 0 40 FIAB COc1ccc(CCC(=O)NCCOc2cccc3ccccc23)cc1C 223573591 IHPKUCWCKRTMOS-UHFFFAOYSA-N 363.457 4.285 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCCOc2ccc(Cl)cc2)cc1 224339233 VNXKVLXCTVABCR-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccccc1OC 224573349 XEGYNQSZTYPPBT-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 224767307 JTBCLWXXBGXKAG-GFCCVEGCSA-N 351.497 4.061 0 40 FIAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225007437 VYLMYIFEWYIVEN-RTBURBONSA-N 354.523 4.379 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225107803 BNDQSQSAGFHRBI-MRXNPFEDSA-N 370.474 4.187 0 40 FIAB CCc1cccc(C)c1NC(=O)c1snnc1-c1cccc(OC)c1 225765483 WXJLURPDXCLMIF-UHFFFAOYSA-N 353.447 4.337 0 40 FIAB S=C(Nc1nc(Cl)cc(N2CCCCC2)n1)NC1CCCCCC1 226011268 GIRJZCSWQWDOND-UHFFFAOYSA-N 367.950 4.130 0 40 FIAB CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCCN2)n1 257281166 ONXOUKGJUVUQTQ-OAHLLOKOSA-N 350.388 4.043 0 40 FIAB Cc1cnc(N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)nc1C 301865133 GZKVZCYYPWTJDL-HNNXBMFYSA-N 369.856 4.181 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1 408706934 FJSZJVYMEJEVNP-VIQWUECVSA-N 370.537 4.323 0 40 FIAB CC(C)(O)CN(Cc1ccc(Oc2ccccc2)c(F)c1)C1CCOCC1 532646122 NISFURCBWAAPDT-UHFFFAOYSA-N 373.468 4.370 0 40 FIAB O=C(CCCCCn1cccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 604419300 NCDYTDFQGKNDBZ-UHFFFAOYSA-N 353.441 4.254 0 40 FIAB O=C(NCC[C@@H]1CC1(F)F)Nc1ncc(Cc2ccc(F)cc2)s1 621393200 IQENJMLQUCJQMJ-LLVKDONJSA-N 355.385 4.040 0 40 FIAB C[C@@H]1CN(Cc2csc(-c3cccc(C(=O)O)c3)n2)C[C@@H](C)C1(F)F 629365446 XAKGCZMSAAYDJU-VXGBXAGGSA-N 366.433 4.231 0 40 FIAB C[C@@H]1CSc2ccc(Cl)cc2N(Cc2ccc(S(C)(=O)=O)o2)C1 1327393405 JDZVEABHXONYTI-NSHDSACASA-N 371.911 4.085 0 40 FIAB O=C(NC(=S)Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1 633517 LHSWHKSDKXKPHL-UHFFFAOYSA-N 372.453 4.128 0 40 FIAB CC(C)(C)c1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 2407648 UMXGEDKCRLSIGO-UHFFFAOYSA-N 368.444 4.428 0 40 FIAB CCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 2461076 UJXXTMUKHXAFOM-UHFFFAOYSA-N 367.423 4.409 0 40 FIAB Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1Cc1ccco1 3339407 BOWCEDVTFORYPD-UHFFFAOYSA-N 367.430 4.013 0 40 FIAB NC(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N 4030432 NCHSDAOHLBNVBJ-UHFFFAOYSA-N 357.485 4.434 0 40 FIAB CCN(CC)CCCNC(=O)C[C@@H](CCC(C)C)[C@@H]1CCOC(C)(C)C1 4086209 OVLXPNIOIDLIFE-WOJBJXKFSA-N 368.606 4.482 0 40 FIAB biogenic CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)/c(=N/O)oc2c1 4663254 CIRBKLHCEYISPD-LNVKXUELSA-N 365.433 4.130 0 40 FIAB C[C@H](CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(C)C 4672278 GITPWLWBSBMIGW-CYBMUJFWSA-N 373.909 4.081 0 40 FIAB COCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)c1ccco1 4880979 YIIHHRVMVPVDON-UHFFFAOYSA-N 372.852 4.387 0 40 FIAB Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)NC1CCCC1 4932944 WTQAKDUCRLCUAV-UHFFFAOYSA-O 374.508 4.003 0 40 FIAB c1ccc([C@H]2COC(c3cccc(C4=N[C@H](c5ccccc5)CO4)n3)=N2)cc1 4979031 HLHBIMJNCKZZQO-OYRHEFFESA-N 369.424 4.118 0 40 FIAB Cc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)s1 5054072 WFQIDPZSJNZPFJ-VIFPVBQESA-N 362.505 4.089 0 40 FIAB CCCCc1nc2sc3c(NN)nc(SC)nc3c2c2c1CCC2 5427110 ORUSNHBIOGOGLG-UHFFFAOYSA-N 359.524 4.078 0 40 FIAB COc1ccc(-c2ncncc2Oc2ccccc2Br)c(O)c1 5573888 DZLOURHGXSDOCT-UHFFFAOYSA-N 373.206 4.413 0 40 FIAB biogenic COC(=O)[C@H](C)Oc1ccc(Oc2cc(O)c(Cl)cc2Cl)cc1 6020194 WXJXATZMSNYPTG-VIFPVBQESA-N 357.189 4.432 0 40 FIAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)oc2c(Cl)cccc12 6124633 KBCDCEAFVUGIKV-UHFFFAOYSA-N 354.837 4.357 0 40 FIAB Nc1nc2c(sc3nc(-c4ccc(Cl)cc4Cl)ccc32)c(=O)[nH]1 6402293 XLGAFBRKAPPOCM-UHFFFAOYSA-N 363.229 4.089 0 40 FIAB CCCCN(C)c1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 6509083 XZGOQTFNIVADRD-UHFFFAOYSA-N 358.916 4.174 0 40 FIAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc(F)c2)cc1 7178383 SOTSGAKHOCMXHH-ZDUSSCGKSA-N 371.437 4.139 0 40 FIAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 7201042 IXJMGQRFTSBGRE-AWEZNQCLSA-N 351.402 4.338 0 40 FIAB Cc1nc(S[C@@H](C)C(=O)N[C@H]2CCCc3ccccc32)nc(C)c1C 7253220 WRORXEBLJKMKOH-YJBOKZPZSA-N 355.507 4.076 0 40 FIAB Cc1noc(C)c1C(=O)Nc1nc2ccc(SC(F)F)cc2s1 7264980 WNWOLUCWBWSDSN-UHFFFAOYSA-N 355.391 4.468 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)c1 7597330 CYRPVRMGBORRDR-LJQANCHMSA-N 370.493 4.044 0 40 FIAB CCOC(=O)CSCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 7778920 WBGVHQKNHMBGEZ-UHFFFAOYSA-N 353.443 4.314 0 40 FIAB CCCCOc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1 8564438 RTBAUNXUUVBUHF-UHFFFAOYSA-N 366.461 4.354 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Oc3ccccc3)cc21 8959439 GZNUEGYTYQAIAS-UHFFFAOYSA-N 354.406 4.069 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)CCCOc2ccc(C)cc2)c1 10445995 QDUYMHXUCKJKDI-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB COc1cccc(CN(C)C(=O)NCc2ccc3cc(OC)ccc3c2)c1 10495156 JLYLBUCPCHFXOL-UHFFFAOYSA-N 364.445 4.199 0 40 FIAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c2c1[C@H](C)CC2=O 11052829 QKFHOTSWDQLZKS-ZIAGYGMSSA-N 355.409 4.080 0 40 FIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCc2ccccc21 11368051 OXYSVRYPMCQIQR-UHFFFAOYSA-N 354.356 4.142 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2OCOc3ccccc32)cc1N1CCCCC1 12148464 FLIIXXILCBQZFD-HXUWFJFHSA-N 352.434 4.032 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(/C=C/c3ccco3)nn12 12389246 QXUCBIVRCHKBSX-FNORWQNLSA-N 358.810 4.278 0 40 FIAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2cccc(-c3nncn3C)c2)cc1 12401530 HVKLZJLQGATQBA-INIZCTEOSA-N 362.477 4.423 0 40 FIAB CCCc1nc2ccccc2n1CC(=O)NCCc1cccc(Cl)c1 12525099 AWNHHLRGVPXXGD-UHFFFAOYSA-N 355.869 4.001 0 40 FIAB CCCSc1nnc(SCCC(=O)Nc2ccccc2F)s1 12780061 BAJBNZBKGWPAFO-UHFFFAOYSA-N 357.501 4.300 0 40 FIAB COc1ccc(-c2nc(C(=O)NCCc3ccccc3C)cs2)cc1 12998314 AADOAINJMSKUJV-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 13709979 NQAPDOJNKINRAR-JTQLQIEISA-N 368.216 4.186 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3cccs3)nc2C)c1 14167495 KFCDXRUMTPIFLW-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB CCCc1n[nH]c(SCc2csc(COc3ccc(F)cc3)n2)n1 14807488 RFBBIQSBFZQMOQ-UHFFFAOYSA-N 364.471 4.224 0 40 FIAB Cc1cc(NCC(=O)Nc2ccc(F)cc2F)ccc1Br 15122531 VQVLIFXLCNTPKG-UHFFFAOYSA-N 355.182 4.086 0 40 FIAB COc1ccc(C)cc1[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 15331728 DKHLZSJLVIDQLL-HNNXBMFYSA-N 355.459 4.196 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](C(=O)O)[C@H](c2ccccc2)C=C[C@H]1c1ccccc1 15837013 RHGCCTDOGPUFRI-MUGJNUQGSA-N 350.414 4.004 0 40 FIAB N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccs1)C(=O)O 16953104 OPUAGXNQMHFBBE-KRWDZBQOSA-N 369.511 4.185 0 40 FIAB O=C(NCc1nnc(-c2cccs2)o1)C1(c2cccc(F)c2)CCCC1 19293626 UAENXILBTXVEGU-UHFFFAOYSA-N 371.437 4.065 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 19934588 MVLFZTSGAGEDKT-UZLBHIALSA-N 371.477 4.053 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(Br)c1 20029859 CYXWPTYXXYLCKG-JTQLQIEISA-N 374.687 4.142 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c(Cl)c1 20487614 PZKMAWDNIUDVPH-NSHDSACASA-N 365.788 4.062 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(Br)c1 20490995 WXEFTDJAJHVRIX-MRXNPFEDSA-N 364.239 4.254 0 40 FIAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccnc4)cc3n2)cc1 20610592 JYIMNPPBXLTRSB-UHFFFAOYSA-N 357.417 4.191 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1)c1ccco1 23055315 FQSUHXCZUSPHBC-FQEVSTJZSA-N 374.440 4.379 0 40 FIAB CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1c(Cl)cccc1Cl 23075043 RIYBOGOWSOYEAS-UHFFFAOYSA-N 366.216 4.092 0 40 FIAB Clc1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1 23424213 BGXDQTJJXBWJCE-UHFFFAOYSA-N 370.909 4.181 0 40 FIAB CC(C)c1ccc(CN(C(=O)CCNC(=O)c2ccsc2)C2CC2)cc1 24377146 XOAZLHNZHCMGLB-UHFFFAOYSA-N 370.518 4.183 0 40 FIAB Cc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3Cl)o2)n1 27974773 XLHYYLSLMSFUCV-UHFFFAOYSA-N 357.797 4.171 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n(Cc2ccccc2)n1 28241397 ZENROVSPHKNQMR-OAHLLOKOSA-N 369.852 4.299 0 40 FIAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccccc1Cc1ccccc1 29554444 XTZICXMBPVMGKZ-UHFFFAOYSA-N 371.484 4.203 0 40 FIAB COc1ccccc1[C@H]1c2cc3c(cc2O[C@H](N2CCCC2)[C@@H]1C)OCO3 31860835 GUTQDDXXUDZPIR-GBSMKCJWSA-N 367.445 4.006 0 40 FIAB COCc1ccc(CNC(=O)c2cc(Br)ccc2Cl)cc1 32036647 RKYSKGOJCPRUPH-UHFFFAOYSA-N 368.658 4.179 0 40 FIAB COc1ccc(NC[C@H](O)CN2c3ccccc3[C@H]3CCCC[C@H]32)cc1 32109944 XDAVWKLHIMQTGM-UCNVEGJOSA-N 352.478 4.014 0 40 FIAB COc1cccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)c1O 32668352 VIXUKEXWVCVPRX-UHFFFAOYSA-N 359.765 4.066 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290454 YQZAAFFBLKESQK-HNNXBMFYSA-N 372.428 4.231 0 40 FIAB C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 41155712 OSSLSWLRNFPNRX-LLVKDONJSA-N 352.217 4.186 0 40 FIAB O=C(c1ccccc1CN1CCOCC1)c1cccc(Cl)c1Cl 43211484 KZEUDOSQAVCHPN-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB O=C(CCSc1ccccc1)NCc1ccc(CN2CCCC2)cc1 44857211 CNETWQDWSDYUSA-UHFFFAOYSA-N 354.519 4.081 0 40 FIAB COC(=O)c1c(N[C@@H](C)c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O 49001551 KOAJCCCPDPXHMX-JTQLQIEISA-N 374.799 4.280 0 40 FIAB CC(=O)N(C)c1nc(CSc2nc3ccc(Cl)cc3o2)cs1 52887962 AMGLIKIMIZCLPR-UHFFFAOYSA-N 353.856 4.213 0 40 FIAB CCOC(=O)N(C)c1ccc(NC(=O)N2CC[C@@H]2c2ccccc2)cc1 54530561 HPHYRUPXRJLJAQ-GOSISDBHSA-N 353.422 4.258 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 59227217 QYFOOOQYPWQOOS-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB Cc1cc(C)n(-c2nc3ccc(NC(=O)Cc4ccccc4)cc3s2)n1 72229618 SHWDFRMLOJCIPI-UHFFFAOYSA-N 362.458 4.280 0 40 FIAB CCCCn1c(CC(C)C)nc2c(sc3nc(C)cc(COC)c32)c1=O 78546422 DJJGCYZAGBFMMJ-UHFFFAOYSA-N 373.522 4.460 0 40 FIAB O=C(NCC1(CCO)CCCCC1)c1ccc(Br)cc1Cl 79110069 YOVNQRPQWILFJA-UHFFFAOYSA-N 374.706 4.165 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)/C=C/c1c(F)cccc1F 84219624 HYZSMQSSERDYRS-ZHACJKMWSA-N 370.399 4.161 0 40 FIAB Cn1c(CN2CCC[C@@H]2c2ccccc2C(F)(F)F)nnc1C1CC1 84304294 JNXBXZTUFQMZSU-OAHLLOKOSA-N 350.388 4.048 0 40 FIAB O=C(O)c1ccc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCC4)cc1 84383578 KMFIBNFAFFEBAW-WQLSENKSSA-N 372.833 4.321 0 40 FIAB CSc1ncccc1C(=O)N(CCc1cccs1)Cc1ccoc1 90612329 UTVBQZWUHAVZAF-UHFFFAOYSA-N 358.488 4.343 0 40 FIAB CCN(C(=O)Nc1nnc(C(F)(F)F)s1)[C@H](C)c1ccc(F)cc1 95351906 UDKGDZBYDGFNRY-MRVPVSSYSA-N 362.352 4.311 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)C1 100428661 PLSBRAXMGCXQDL-HLYHAVAHSA-N 374.569 4.231 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC5=NCCS5)(C4)C2)C3)cc1C 101730397 SUYFIJLYKGZIHM-WZGNDQMWSA-N 368.546 4.360 0 40 FIAB Cc1c(F)cc(NC(=O)OC(C)(C)C)cc1I 169801531 ICPLQDBIGPWGLS-UHFFFAOYSA-N 351.159 4.086 0 40 FIAB Cc1cccnc1[C@H](NC(=O)N1CCc2[nH]c3ccccc3c2C1)C(C)C 172157619 ZAZOJWCFLTUXPD-HXUWFJFHSA-N 362.477 4.336 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)COc1ccc(C)cc1 219320965 APMLUKYHXTUPNT-MAUKXSAKSA-N 361.869 4.390 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)s1 223843403 DTFVMCNBOKDTNU-QZTJIDSGSA-N 367.499 4.334 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2C)cc1Cl 225310019 QAEHTFMZPKILGZ-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3SC)ccc2c1 225426149 UZOPMSLIVMMLKA-UHFFFAOYSA-N 359.472 4.371 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 225606811 HOMOIHMWPFRRGH-UHFFFAOYSA-N 359.473 4.309 0 40 FIAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225611558 CCENMCPYDUNJRR-UWJYYQICSA-N 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C[C@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccccc1C(F)(F)F 84660517 VDCFPMKPHOECGZ-SMDDNHRTSA-N 369.412 4.008 0 40 FIAB Cn1c(CNc2ccc(F)c(C(F)(F)F)c2)nnc1-c1ccccc1 89741450 KWGMPWFYDZGBES-UHFFFAOYSA-N 350.319 4.252 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C 95972451 ISYUUBQDFDEROL-UHFFFAOYSA-N 365.433 4.067 0 40 FIAB Cc1cn(-c2ccccc2)nc1NC(=O)c1ccccc1OC(F)(F)F 95985566 BKMOKJRRRAMRSV-UHFFFAOYSA-N 361.323 4.332 0 40 FIAB CSc1ccc([C@H](O)CNC(=O)Nc2ccccc2C(F)(F)F)cc1 96103314 SZDHXHBEGLUMJK-OAHLLOKOSA-N 370.396 4.282 0 40 FIAB C[C@H](NC1(CNCc2ccc([C@@H]3C[C@@H]3C)o2)CCOCC1)c1ccccc1 97002570 ZXJCGYDYWHXRHF-BBTUJRGHSA-N 368.521 4.393 0 40 FIAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NC1CCCCC1 205610540 IWUGNYLMWBYWIJ-RGEXLXHISA-N 368.502 4.276 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)c1 222995250 FEEKRWGIKKFVCT-LJQANCHMSA-N 355.434 4.276 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223694866 ZIDIFRXWJKQBRA-QZTJIDSGSA-N 351.490 4.470 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)C 223790087 DSBJURGFZCIVPV-LJQANCHMSA-N 359.441 4.302 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(Oc3ccccc3)nn2)cc1 225187625 FYKYGULVUDWVIU-UHFFFAOYSA-N 350.447 4.064 0 40 FIAB O=C(NCc1ccco1)c1ccccc1NC(=S)Nc1ccc(F)cc1 225458144 XBAWIHBRAKDZBX-UHFFFAOYSA-N 369.421 4.158 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1ccc(Oc2nccs2)cc1 225647094 OICBGSCCZPAHDM-UHFFFAOYSA-N 374.849 4.284 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3C)s2)cc1 225847578 CUNLWVVZIYAGIR-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)cc4)OCC[C@@]31C2 257271901 NAGIWZIENJOHQE-WOGGDJBASA-N 357.494 4.047 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2cccc(-c3ccccc3C(=O)O)n2)CC1 257291124 QFTMKWXPCMBMQA-UHFFFAOYSA-N 366.461 4.199 0 40 FIAB CCCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1 408748611 BCDZUAMKSGWGND-KUDNYVPYSA-N 370.499 4.110 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1O 409011333 GCIQLGMGKIQGRC-TVNQGELYSA-N 355.843 4.279 0 40 FIAB C[C@H](c1ccccc1F)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 533487962 WIVDIPWRQXEGPC-OAHLLOKOSA-N 358.432 4.054 0 40 FIAB CCn1c(CN2C[C@H](c3ccccc3)C[C@@H]2C)nc2cc(C(=O)O)ccc21 568404186 HNQVMMAJGOZWJY-MAUKXSAKSA-N 363.461 4.132 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)s2)[C@@H](C)CO1 683322084 GJIOVGOCBKRZBH-YOEHRIQHSA-N 367.474 4.049 0 40 FIAB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccc2c(c1)OCO2 677337 OMOGPMSWCVEICB-ACAGNQJTSA-N 362.168 4.067 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)cc1OCC 936420 WLCQGHOIFHXGOY-RIYZIHGNSA-N 354.450 4.202 0 40 FIAB CC(C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 952255 WWARBESHMUKGNC-CQSZACIVSA-N 352.386 4.179 0 40 FIAB biogenic Cc1ccc(NC(=S)NC(=O)c2ccc(Br)o2)cc1Cl 1003760 QOZGWTHKJQEXML-UHFFFAOYSA-N 373.659 4.131 0 40 FIAB CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1C(C)C 1364222 MNMNJSHIJRMZPU-UHFFFAOYSA-N 360.527 4.468 0 40 FIAB CCN(C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cccc2ccccc12 1448533 VRTSUUDOEBKXND-FCHUYYIVSA-N 351.446 4.315 0 40 FIAB Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(=O)O)c2)cc1 1515754 IOBFTWRFQVOANY-UHFFFAOYSA-N 374.396 4.198 0 40 FIAB COc1ccc2c(=O)c(Oc3ccc4c(c3)OCCCO4)c(C)oc2c1 2106082 LCJWLFPEPFJULL-UHFFFAOYSA-N 354.358 4.064 0 40 FIAB biogenic C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 2361666 FWGHILMZVCBNRY-JTQLQIEISA-N 353.419 4.087 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 2403609 LYTMEMUMNNLSCZ-YKWSONSWSA-N 361.467 4.461 0 40 FIAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 2618194 UNGVRNBVCBFWCP-UHFFFAOYSA-N 370.518 4.253 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)ccc1OC(F)F 2657133 MQOKGMIDLHWMHL-XVNBXDOJSA-N 373.277 4.366 0 40 FIAB O=C1N[C@@H](c2ccc(Br)cc2)Nc2sc3c(c21)CCCC3 3155089 AYAGPFCUPCAMCP-CQSZACIVSA-N 363.280 4.244 0 40 FIAB O=C(COC(=O)CCC1CCCCC1)Nc1ccc(OC(F)F)cc1 3294074 VFZNGROHUPSSHR-UHFFFAOYSA-N 355.381 4.130 0 40 FIAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 3423844 UHNPWAYFVGBEIN-UHFFFAOYSA-N 368.502 4.103 0 40 FIAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3431433 RUYVPHBNUQMJMJ-UHFFFAOYSA-N 370.449 4.232 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 3554262 MZAMCQKAWXPDNW-UHFFFAOYSA-N 362.376 4.022 0 40 FIAB O=C(Cc1cccs1)N1CCN=C1SCc1c(F)cccc1Cl 4120169 ZJAWNQJQYVTQPA-UHFFFAOYSA-N 368.886 4.215 0 40 FIAB O=C(c1ccco1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120487 FSFYIPCBSGOIAP-UHFFFAOYSA-N 354.353 4.044 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2ccncc2)n2c(nc3ccccc32)N1 4735547 QQTYAQWTLJYZLO-LJQANCHMSA-N 362.433 4.064 0 40 FIAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1 4815834 BLNGHUCMOAOYPU-UHFFFAOYSA-N 374.510 4.463 0 40 FIAB Cn1c(SCc2ccccc2Br)nnc1-c1ccco1 4924632 GWGXOPCEOGRENA-UHFFFAOYSA-N 350.241 4.130 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H]([C@H]3CCCC=C3N3CCCCC3)C2=O)cc1 5015863 PHLHBPIOWMXUBQ-MOPGFXCFSA-N 352.478 4.044 0 40 FIAB Cc1ccc(CN(C)C(=O)CSc2nc3cc(C)ccc3[nH]2)c(C)c1 5270224 XBFPHQVCTRHTES-UHFFFAOYSA-N 353.491 4.239 0 40 FIAB Cc1cc(SCc2cccc(S(=O)(=O)N(C)C)c2)nc2ccccc12 6112094 ICBLPJTTXVLUAJ-UHFFFAOYSA-N 372.515 4.086 0 40 FIAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(Cl)cc1 6615750 ZGCFSJCKGVNLRT-UHFFFAOYSA-N 359.882 4.067 0 40 FIAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6938388 KUKUCDVKTTYEMS-QGZVFWFLSA-N 368.477 4.054 0 40 FIAB N=C1NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)S1 6996861 IKPRLMCQFOQZDG-OVCLIPMQSA-N 362.813 4.197 0 40 FIAB O=C(c1ccc(F)cc1)c1ccc(OCc2nnc(-c3ccco3)o2)cc1 7155846 FIKNYZQLONBEBZ-UHFFFAOYSA-N 364.332 4.279 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccoc2C)o1)c1ccccc1 7195172 GMMLPYUMALEBFK-CYBMUJFWSA-N 357.435 4.172 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c(C)c1 7929246 ISYYANFSZCEKNV-IBGZPJMESA-N 359.425 4.415 0 40 FIAB CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1Cl 8337038 QUCRVSIDRFHUSI-MRXNPFEDSA-N 354.277 4.433 0 40 FIAB Cc1ccn2cc(C(=O)Nc3c(-c4ccccc4)nc4ccccn34)nc2c1 8709943 CMNOWVFDNSOLAD-UHFFFAOYSA-N 367.412 4.210 0 40 FIAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)no1 8750547 OOGJOPNLZRKIKW-UHFFFAOYSA-N 361.760 4.002 0 40 FIAB CCc1ccccc1[C@@H]1C(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2C1=S 8783162 QVZNOQCGOPFJCF-WOJBJXKFSA-N 360.482 4.151 0 40 FIAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(Cc4ccccc4)nc3c12 9304345 GHZNJNNPMAHKNL-UHFFFAOYSA-N 353.429 4.276 0 40 FIAB Cc1nc2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)cc2s1 10415077 GXTXTEKRFHYVRH-UHFFFAOYSA-N 374.849 4.211 0 40 FIAB CC[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(F)cc1 10841340 IOSCAIXANCMHTD-SFHVURJKSA-N 355.413 4.003 0 40 FIAB Cc1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)no1 10972121 YEHXSDDASQVEDN-UHFFFAOYSA-N 367.352 4.301 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccccc1Cc1ccccc1 12527304 QHSJTMYKUJSRRL-UHFFFAOYSA-N 354.413 4.110 0 40 FIAB CCCN(Cc1ccc(C)cc1)C(=O)c1cnc2c(cnn2C(C)C)c1 12762340 FIKOMUWJAMMMKS-UHFFFAOYSA-N 350.466 4.373 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12781546 IHRCVDZJWXDOLQ-UHFFFAOYSA-N 360.866 4.206 0 40 FIAB Cc1cccc(OCC(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1C 13002372 SMDYETOITWRGKS-UHFFFAOYSA-N 373.522 4.009 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)c(OC)c1 14170679 PGQBCXXEGKVFLJ-IBGZPJMESA-N 350.418 4.162 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cc1 19211381 UQULSZHHRLODFS-IBGZPJMESA-N 366.486 4.112 0 40 FIAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 19371971 YOQUVFHGMHDYHY-GOSISDBHSA-N 367.493 4.117 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1OC 20045940 SNAOCJPFXXXZFO-QWHCGFSZSA-N 363.841 4.002 0 40 FIAB COc1ccc(NC(=O)c2cccc(NC(C)=O)c2)cc1OC1CCCC1 24505524 SEBJSZCJULKPPU-UHFFFAOYSA-N 368.433 4.227 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 24991858 DVVBXQURIFAVBI-UHFFFAOYSA-N 365.864 4.287 0 40 FIAB Fc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)cc1 27643050 QLKQRQYANLVJJS-UHFFFAOYSA-N 368.391 4.237 0 40 FIAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1cccc(Cl)c1 27698630 DHSOVXXSVVZUIC-SEJPIABJSA-N 368.908 4.308 0 40 FIAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(Br)c1 28048026 WJZFCZXSSOKZSE-NHAQELONSA-N 366.280 4.100 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(Cl)n1C)O[C@H](C)C2 32827108 GIVIHLQYJBOSAH-SECBINFHSA-N 369.248 4.306 0 40 FIAB O=C(NCCOc1ccc2ccccc2c1)c1c[nH]nc1-c1ccccc1 32856184 HWCHRARMHWOVHU-UHFFFAOYSA-N 357.413 4.039 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C 36616051 WHOHACXHWBTGSX-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)s2)cc1 36705209 UWKRJLPYWGFIQY-MRXNPFEDSA-N 371.506 4.110 0 40 FIAB CN(C)c1ccc(CCNC(=O)Nc2ccccc2C(F)(F)F)cc1 38489637 QIOCCXOOZPZDNG-UHFFFAOYSA-N 351.372 4.136 0 40 FIAB COc1ccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 38848896 PVGMRZCCQVJXAY-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB C[C@H](N[C@@H](C)c1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 40161203 JDHMXZAOLPAMAT-GJZGRUSLSA-N 362.429 4.246 0 40 FIAB O=C(Cn1ccc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 40313185 LKHDOMVZSQMBNM-UHFFFAOYSA-N 351.837 4.135 0 40 FIAB biogenic O[C@H](CSc1nnc2sc3ccccc3n12)c1ccc(F)c(F)c1 42656793 ZDFDOISTLCRZRL-CYBMUJFWSA-N 363.414 4.048 0 40 FIAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)n1 47318282 IZRBCDCXYKFWLD-UHFFFAOYSA-N 373.334 4.016 0 40 FIAB Cc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)N3CCCCCC3)cs2)cc1 48248176 SXAMCTAULLHHMG-HNNXBMFYSA-N 372.490 4.066 0 40 FIAB CC(C)(C)c1ncc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)s1 58168300 UCHNPZGADWZQBA-UHFFFAOYSA-N 361.442 4.181 0 40 FIAB CC(C)(C)OC(=O)Nc1cc(NC(=O)CC[C@H]2CCCO2)ccc1F 58264914 IACPULDQWALGNJ-CYBMUJFWSA-N 352.406 4.070 0 40 FIAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2cc(C)ccc2C)c1 60512729 SXYZLIVKARTDCG-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB O=C(NC1CCCCCC1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 60927782 RZGLPUKIYWPMGV-FQEVSTJZSA-N 366.509 4.331 0 40 FIAB O=C(O)c1cccc(NC(=O)c2ccc(OCCc3ccccc3)cc2)c1 66145933 XRSIHUCLRXODSW-UHFFFAOYSA-N 361.397 4.259 0 40 FIAB CCOC(=O)CCN(C)c1nc(C)nc2sc(-c3ccccc3)cc12 71405344 DGWXGMUSWHWDNC-UHFFFAOYSA-N 355.463 4.056 0 40 FIAB CC(C)N(c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1)C(C)C 72212940 SFWFNUZDGDOZRJ-UHFFFAOYSA-N 363.502 4.192 0 40 FIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 72379068 BAHRSIPDOSGRBL-IBGZPJMESA-N 361.493 4.165 0 40 FIAB COc1ccc(SCCNC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 80345389 PDGRDZQIXGISLC-UHFFFAOYSA-N 368.458 4.181 0 40 FIAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCCC1 84572891 QZPXGOIGDRSFDB-UHFFFAOYSA-N 363.436 4.233 0 40 FIAB Cc1ccc(F)cc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 95392594 ANGJKWCTVTXQFO-JTQLQIEISA-N 362.455 4.316 0 40 FIAB c1ccc2c(c1)[C@H](NCC1CC1)CC21CCN(Cc2nccs2)CC1 96079055 VXBUUUPAWBPGNO-LJQANCHMSA-N 353.535 4.121 0 40 FIAB CCCN1CCC[C@@H]1c1nc(-c2ccc(Oc3ccccc3)nc2)no1 97164390 KNEFLGGCODCPKI-QGZVFWFLSA-N 350.422 4.471 0 40 FIAB Brc1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)cc1 100490304 AOAHDGBJFGWFBD-ZDUSSCGKSA-N 359.252 4.158 0 40 FIAB Cc1cccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C 101277028 XAQOKFAMPXRQON-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 102271490 SDYXFMCBGHBTQS-LKCJXIOFSA-N 368.477 4.425 0 40 FIAB Cc1cccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1 102846334 ZFKPGZZZCZSKCQ-XSYNCLLFSA-N 370.884 4.174 0 40 FIAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@H]1C[C@H]2CC[C@H]1C2 107333299 ONYWBJNOKGLNNU-HCCHORAYSA-N 369.509 4.049 0 40 FIAB COc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2Cl)cc1OC 108671617 QPLKNOYZXKPPGL-UHFFFAOYSA-N 371.824 4.010 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 108889432 LESLNBQDZZRTFF-JYJNAYRXSA-N 366.427 4.180 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(OC)cc1 113960782 WQYNQAGGRDUITI-QZTJIDSGSA-N 357.450 4.129 0 40 FIAB COc1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)cc(OC)c1 127825468 PWAXUWJQCWBRSY-INIZCTEOSA-N 352.434 4.225 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccccc2C)cc1 219312982 LGGHJARJPHTTEX-HXUWFJFHSA-N 355.478 4.300 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1OCC 219587116 MUVABIFWEYGRQX-IBGZPJMESA-N 371.477 4.266 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccccc2Cl)cc1C 223403673 RPZZMNCMYPQDDR-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)c(Cl)c1Cl 224610365 GVADWYXBYKPLJV-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB Cc1ccc(N(C)CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224992723 ZBTIWIFBBAWGJS-UHFFFAOYSA-N 374.912 4.449 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 225259203 FBYJECJIUAYUGM-UHFFFAOYSA-N 370.412 4.441 0 40 FIAB CCOc1cccc(CNC(=S)Nc2ccc(OC)c3ncccc23)c1 225441370 AFJJBZRNNPFTSR-UHFFFAOYSA-N 367.474 4.129 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@H](C)CCc2ccccc2)c1C 225513958 YAXMGMIRZRUVJS-CQSZACIVSA-N 356.491 4.089 0 40 FIAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225602989 RBROHHGBHQVTFE-LAUBAEHRSA-N 362.514 4.084 0 40 FIAB O=C(NCc1ccnc(-c2cccs2)c1)c1nc2ccccc2s1 225650429 DYFGAYBDCZAUAD-UHFFFAOYSA-N 351.456 4.350 0 40 FIAB CCOc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 225739290 HFDYUFFGDPSXQM-INIZCTEOSA-N 369.534 4.213 0 40 FIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225840301 AOSXDNJARYBKFZ-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 260760794 ACPHXIRPBSQXKX-ZWKOTPCHSA-N 366.505 4.418 0 40 FIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812470 CCENMCPYDUNJRR-DYESRHJHSA-N 362.514 4.084 0 40 FIAB COc1ccc(CCCC(=O)N[C@@H]2NC(c3ccccc3)=C(C)S2)cc1 408908093 DMPNGGSQDXVVII-OAQYLSRUSA-N 368.502 4.143 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)c(C)c1 409091062 SRGAOGIZBTXSOL-UHFFFAOYSA-N 370.453 4.062 0 40 FIAB Cc1cc(-c2noc(C3CCC(NC(=O)C4CCCC4)CC3)n2)ccc1O 519682112 FCUGRWVEMPGAJI-UHFFFAOYSA-N 369.465 4.083 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)nc1)c1cccc([C@H]2CCOC2)c1 534910999 IZTREAMBLSSCGN-FQEVSTJZSA-N 374.440 4.417 0 40 FIAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[C@@H](n2cnc3ccccc32)C1 575617391 OVDBNAYKXIRLPH-OAHLLOKOSA-N 364.836 4.258 0 40 FIAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 575618884 WZXFTWMFVNMVRH-INIZCTEOSA-N 373.378 4.451 0 40 FIAB CCCC(=O)N1CCCCCCCCN(C(=O)COC)c2ccccc2C1 643554471 KAOVGLRJKYKWJZ-UHFFFAOYSA-N 374.525 4.149 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)N1CC[C@H](c2ccsc2)C1 825520470 KFHQQJGDUVXFAO-NSHDSACASA-N 356.274 4.450 0 40 FIAB Cc1noc(C)c1CN1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 1888906246 UANRYRQQEKKUKS-CQSZACIVSA-N 372.469 4.329 0 40 FIAB CC(C)CCOc1ccc(OCC(=O)Nc2nc3ccccc3[nH]2)cc1 703876 ALMGWJTUPOGVDJ-UHFFFAOYSA-N 353.422 4.005 0 40 FIAB Cc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(C)c5)c4ncn23)cc1 2199466 WFUSWQSWRWLNHF-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB Cc1sc2ncnc(NS(=O)(=O)c3ccc4ccccc4c3)c2c1C 2641767 YSOZEESTJZKUGF-UHFFFAOYSA-N 369.471 4.262 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 3057219 JZZXAHOWTVLBKC-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB O=C1N[C@@](c2ccccc2)(C(F)(F)F)N=C2SC3=C(CCCC3)N12 3182692 VEKPKDDTGQQJIG-OAHLLOKOSA-N 353.369 4.315 0 40 FIAB Nc1ccc(O)cc1C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 3297040 MCMZQIDCVDGLOM-UHFFFAOYSA-N 353.418 4.062 0 40 FIAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 3473805 DPJANBKACAYVJW-UHFFFAOYSA-N 369.364 4.207 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cccc3c2-c2ccccc2C3=O)cc1 3644327 NVBWYTAPNPZWJA-UHFFFAOYSA-N 356.381 4.109 0 40 FIAB COCCN(C(=O)CC(C)(C)C)c1nnc(-c2ccc(Cl)cc2)s1 4880958 UQXGDYMPUQFBPH-UHFFFAOYSA-N 367.902 4.274 0 40 FIAB CCOc1ccc(-c2onc(C)c2-c2ccc(OC)c(OC)c2)c(O)c1 5389290 SBKAFCHWVMIGQX-UHFFFAOYSA-N 355.390 4.439 0 40 FIAB biogenic Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCCCn1ccnc1 5634681 JYYAIFCBCZQYGV-UHFFFAOYSA-N 370.456 4.227 0 40 FIAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(F)cc1Cl 5714738 CRIXJYVXXLMCRF-UHFFFAOYSA-N 371.795 4.357 0 40 FIAB Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CC/C3=C\c1ccc(Cl)cc1 6606293 QQGRSASUBYGHAG-DHZHZOJOSA-N 372.833 4.062 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 6747691 WGORZFQZVDWGQX-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1F)N(Cc1ccco1)Cc1ccco1 7309736 IMUIAUKAPUIZIA-UHFFFAOYSA-N 369.801 4.056 0 40 FIAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1 7595055 PCNFTWADAHZRKQ-UHFFFAOYSA-N 355.825 4.441 0 40 FIAB CCCc1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 9053783 WLNUJJRWHQSNMR-QMMMGPOBSA-N 359.282 4.183 0 40 FIAB CC(C)n1ncc2cc(C(=O)Nc3nc4ccc(F)cc4s3)cnc21 9155996 WGVJAISGSLNVSR-UHFFFAOYSA-N 355.398 4.013 0 40 FIAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)NCCC1=CCCCC1 9495334 BRRVITHQDQGNMJ-GFCCVEGCSA-N 363.508 4.285 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 9837183 HYWYHYKUMABCFX-LBPRGKRZSA-N 356.426 4.039 0 40 FIAB Cc1cc(-c2nn3c(CCc4ccccc4)nnc3s2)c2ccccc2n1 10311944 OSKHCEBMCLFQOT-UHFFFAOYSA-N 371.469 4.495 0 40 FIAB O=C(CCc1ccccc1F)Nc1cccc(NC(=O)c2ccco2)c1 11181850 CCNWRZGMYASODC-UHFFFAOYSA-N 352.365 4.242 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(SC)c1 11694374 OPKZUKPRZLTOPJ-UHFFFAOYSA-N 371.437 4.384 0 40 FIAB CC(C)OC(=O)COc1ccc2c(Cc3ccc(Cl)cc3)noc2c1 11854045 LSFURGINDJOIER-UHFFFAOYSA-N 359.809 4.402 0 40 FIAB CC(C)(C)OC(=O)NCc1nnc(SCc2cccc(Cl)c2)o1 11999156 XWEOBMJXWFGTFY-UHFFFAOYSA-N 355.847 4.040 0 40 FIAB CCN(CC)Cn1nc(Nc2cccc(Br)c2)sc1=S 12544226 SJMZUENTYQWGNQ-UHFFFAOYSA-N 373.345 4.479 0 40 FIAB COc1ccc(NC(=O)CSc2ccc(C(C)=O)cc2F)cc1Cl 12747607 XKTXNAKVPQFDGH-UHFFFAOYSA-N 367.829 4.421 0 40 FIAB Cc1nc(NC(=O)c2cc(F)ccc2F)sc1-c1nccn1C(F)F 12779392 UKLRSHHBLKAHAK-UHFFFAOYSA-N 370.331 4.241 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)C2CC2)s1 12780284 FNPHKAKIRDIBHE-UHFFFAOYSA-N 368.380 4.045 0 40 FIAB COC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1ccc(C)cc1C 13001498 PHTIXUIRXOAOBX-UHFFFAOYSA-N 370.426 4.011 0 40 FIAB COc1ccc(-c2csc(NC(=O)C(Cl)(Cl)Cl)n2)cc1 14258039 SFRJCAHIUYPDBZ-UHFFFAOYSA-N 351.642 4.127 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1cccc(C)c1 14397252 BJZBFCSBYAHVAC-FQEVSTJZSA-N 373.518 4.211 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14399055 ZUOQNOLIXHDRCK-OAHLLOKOSA-N 369.461 4.485 0 40 FIAB CCOc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 15017360 FQPYYOSMHAONGW-MRXNPFEDSA-N 360.251 4.151 0 40 FIAB Cc1ccc(-c2nc3n(c2CNC(=O)c2ccccc2F)CCS3)cc1 17051297 VEOQGYSJJBUJIL-UHFFFAOYSA-N 367.449 4.033 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccc(I)cc1 18114772 VPMLSSWTAVPCBA-UHFFFAOYSA-N 369.177 4.002 0 40 FIAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n1 19573620 QZIWBCHUTHBEAT-JEWQEZCWSA-N 365.521 4.225 0 40 FIAB CCOc1ccc(CCNC(=O)c2cccc3cccnc23)cc1OCC 19596336 OPFWAIOGXSLWRW-UHFFFAOYSA-N 364.445 4.005 0 40 FIAB CCOc1ccc(NCc2cc(Br)c(O)c(OC)c2)cc1 20552850 MDCJQOLESWMTLV-UHFFFAOYSA-N 352.228 4.174 0 40 FIAB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1ccccc1 21254590 XFDPFJTYHLVQBR-CQSZACIVSA-N 363.413 4.034 0 40 FIAB O=C(COC(=O)CCc1ccccc1Cl)Nc1cccc2ncccc12 22280094 VYUFBQZKWYZBBE-UHFFFAOYSA-N 368.820 4.003 0 40 FIAB COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccccc2)cc1OC 22551523 UDXBWYGBIUHWNZ-GOSISDBHSA-N 367.445 4.030 0 40 FIAB C[C@@H](NCc1ccccc1Br)c1ccc(-n2ccnc2)cc1 25356281 ZTKHMJOFQKNSIT-CQSZACIVSA-N 356.267 4.486 0 40 FIAB CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 31039935 XZCKYTISYDYYDL-HXUWFJFHSA-N 372.440 4.184 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1 31713597 PIMISPZZTNGARQ-LBPRGKRZSA-N 369.339 4.393 0 40 FIAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cccs1 32094897 KFQYAMGVCLPKRH-UHFFFAOYSA-N 351.387 4.212 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)CNc2ccc(-c3ccccc3)cc2)cc1 32679608 VMOQJBZXFKUOAO-UHFFFAOYSA-N 373.456 4.106 0 40 FIAB O=S(=O)(Cc1ccc(Br)cc1)Cc1cccc(Cl)c1 32764996 DAYQFCDECLETCV-UHFFFAOYSA-N 359.672 4.218 0 40 FIAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 39760151 AYIRCZYZBOQDMZ-UHFFFAOYSA-N 352.478 4.163 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccccc1F 40128273 FDNNULKOJVJCLX-UHFFFAOYSA-N 357.816 4.463 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)o1 47728070 DPROKPXEELSXPU-LLVKDONJSA-N 361.829 4.016 0 40 FIAB CSc1ncccc1C(=O)N(Cc1cccs1)Cc1cccn1C 49026663 BXQFKEMGTNFHGB-UHFFFAOYSA-N 357.504 4.046 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(O)cc3)cc12 57288986 YLNMAWGROYJLKJ-UHFFFAOYSA-N 367.405 4.492 0 40 FIAB Fc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2c2cc[nH]n2)cc1 57773936 IUIAJPWIUWOVKB-DLBZAZTESA-N 357.379 4.210 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1 70928926 MLWXDXZNHXJJEP-UHFFFAOYSA-N 366.509 4.417 0 40 FIAB CC[C@H]1CCCN(C(C)(C)CNC(=O)Nc2nc(C3CC3)cs2)C1 72277769 YQSIMYOFDMHYAC-ZDUSSCGKSA-N 350.532 4.043 0 40 FIAB COCCn1c(C(=O)Nc2ccc(OC)c(Cl)c2)cc2ccccc21 72302641 PZJWLEKXHREUPH-UHFFFAOYSA-N 358.825 4.202 0 40 FIAB O=C(NC[C@@]1(O)CCc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 75155713 CLVZOVNZCWFCGQ-QFIPXVFZSA-N 369.892 4.102 0 40 FIAB Cc1cc2occ(CC(=O)NCCC(=O)Nc3ccccc3)c2cc1Cl 80343868 FYILEYJZTUTSKI-UHFFFAOYSA-N 370.836 4.082 0 40 FIAB CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc(Cl)c1 89484428 ZGXYTWYXZLGMDG-INIZCTEOSA-N 369.273 4.104 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(CCOc3cc(C)cc(C)c3)s2)cc1 95116444 UHMROGAXZNOFIL-UHFFFAOYSA-N 367.474 4.337 0 40 FIAB Cc1nc2ccccc2nc1C[S@](=O)Cc1csc(-c2ccco2)n1 95948664 ZXYWZJWBPYJQIM-VWLOTQADSA-N 369.471 4.104 0 40 FIAB CCCN1CCC(c2cc3c(ncn3C)c(-c3ccc(OC)cc3)n2)CC1 96155611 DSFMXKQLZRYITF-UHFFFAOYSA-N 364.493 4.233 0 40 FIAB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2O)c2ccccc2C1=O 97990723 HYOLOHKKQPYLKL-XMHGGMMESA-N 355.393 4.428 0 40 FIAB O=c1nc2n(c3ccccc13)Cc1ccccc1/C2=C\c1ccc(F)cc1 103599582 ABZZNDUZGZKSSB-DEDYPNTBSA-N 354.384 4.486 0 40 FIAB CC1CCN(CCCNC(=O)CCc2ccc(Cl)cc2Cl)CC1 105836078 SIJXPUCHTWDQEY-UHFFFAOYSA-N 357.325 4.164 0 40 FIAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1Cl 110162965 FPPCVJIBRNVBMQ-UHFFFAOYSA-N 359.853 4.344 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1 216251739 QWUBSZVAYHEODR-INIZCTEOSA-N 361.825 4.313 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)[nH]1 223084224 PDQMJJOSFQYEJY-OALUTQOASA-N 354.523 4.332 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOCc1ccccc1 224456375 LUVXJWDXLGJIQW-NRFANRHFSA-N 363.457 4.330 0 40 FIAB CCCOCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCC 224708216 PBLDLGGPEQZXEE-UHFFFAOYSA-N 355.434 4.467 0 40 FIAB Cc1c(C(=O)NCc2cncc(-c3cccs3)c2)cnn1-c1ccccc1 225666441 NOXHWAKUPGTHRM-UHFFFAOYSA-N 374.469 4.234 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc3nc(N)sc3c2)cc(C)c1Cl 226311799 VCBLAZVPPDSGRP-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)cc1 408617637 AUFIDISZOXEBBV-ZDUSSCGKSA-N 370.474 4.098 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)Cc2cccs2)CN1c1cccc(F)c1 1615156140 KDUTZHNSPQBCRG-OAQYLSRUSA-N 372.509 4.480 0 40 FIAB Cc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1Cl 1972519 NKOOTBYCIUDBNW-UHFFFAOYSA-N 357.793 4.081 0 40 FIAB biogenic Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2C)c1 2204443 INFVAATUACVEEW-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB Cc1cccc(-c2nnc3c4cnn(-c5ccc(C)c(Cl)c5)c4ncn23)c1 2430383 ORFUQADFDSWGLI-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccccc1Cl 3246855 LQWRVXYYSMZYIS-UHFFFAOYSA-N 370.836 4.326 0 40 FIAB CCc1cc2c(SCC(=O)Nc3ccc4c(c3)CCC4)ncnc2s1 3401040 UOEGIWAKOOAWTF-UHFFFAOYSA-N 369.515 4.473 0 40 FIAB Cc1nc(SCc2nc3ccccc3c(=O)[nH]2)c2c(C)c(C)sc2n1 3429152 LYXHZRCEEVNBOP-UHFFFAOYSA-N 368.487 4.145 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)Sc2nncn2-c2ccccc2)cc1 3453145 IQEUXHOQNTVBJW-AWEZNQCLSA-N 353.447 4.030 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4082264 VMDWSMDCEKVFLR-KIYFCUGLSA-N 374.521 4.201 0 40 FIAB biogenic CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1OCC 4087759 ZNDPBRWFTWSQSX-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB COC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)[nH]c1ccccc12 5498199 XURMROYLNUPFIB-UHFFFAOYSA-N 374.396 4.125 0 40 FIAB Cc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3C)cc1Cl 6941287 APEHKRQHENPFOC-UHFFFAOYSA-N 368.828 4.274 0 40 FIAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)N(C(C)C)C(C)C 6947889 AHMUBEBADPZCFN-UHFFFAOYSA-N 374.554 4.016 0 40 FIAB CCc1cc2c(CSc3ccc4c(c3)OCCO4)cc(=O)oc2cc1O 7654027 XKXLGYHUNCPCDM-UHFFFAOYSA-N 370.426 4.125 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccco1 8041172 ZPQBWUKRGIIPKH-MRXNPFEDSA-N 353.871 4.140 0 40 FIAB Cc1ccc(-c2nc(CN(C)CC(=O)Nc3cccc(F)c3)cs2)cc1 8093683 PECPDKAVOQMLRT-UHFFFAOYSA-N 369.465 4.328 0 40 FIAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 8475620 FCQOGIGIXIJHDR-UHFFFAOYSA-N 367.836 4.395 0 40 FIAB Cc1ccccc1-n1c(SCc2ccccn2)nnc1-c1cccnc1 9114751 XOLSUQXGGRZLHH-UHFFFAOYSA-N 359.458 4.325 0 40 FIAB Cc1ccc(NC2=NN=C(c3ccc(N4CCCC4=O)cc3)CS2)cc1 9417587 VFUCITQHFGJRET-UHFFFAOYSA-N 364.474 4.041 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(NC(C)(C)C)s1 9446368 XJXQCUFOQCKGAG-NSHDSACASA-N 350.513 4.176 0 40 FIAB CCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2n1 9568739 LRNOAJJCADBCBI-UHFFFAOYSA-N 363.490 4.137 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 10448325 XTBAMJFJRRDLLI-NSHDSACASA-N 358.392 4.090 0 40 FIAB Cc1cnc(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1 11198899 YATJVZSTNMLYNL-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)Cn1c(C(F)F)cc2cccnc21 12220690 YZQAGOFRLGROMN-AWEZNQCLSA-N 357.404 4.111 0 40 FIAB O=C(c1cccs1)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccco1 12378258 WZUDOMLRZRXHEI-AWEZNQCLSA-N 366.398 4.061 0 40 FIAB Cc1nc(Nc2ccccc2F)c2nnn(Cc3ccccc3Cl)c2n1 12481329 SRSWDMHSNSVIHZ-UHFFFAOYSA-N 368.803 4.114 0 40 FIAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(-n2ccnc2)cc1 12601264 ILRPXZQWIUIBDL-INIZCTEOSA-N 358.445 4.164 0 40 FIAB Cc1ccccc1COC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1 12915243 RTEZNYVZSQZZQM-LJQANCHMSA-N 365.454 4.271 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(CSc3ccccc3)o2)cc1C 13963052 IFFFVJBOMIZKKE-UHFFFAOYSA-N 353.447 4.160 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1C 14251458 HETBZYCGAWESIC-QGZVFWFLSA-N 354.469 4.284 0 40 FIAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3n2-c2ccccc2)C1 15912003 XNFBONNTNIAUDI-MRXNPFEDSA-N 365.502 4.376 0 40 FIAB COc1cc(C)ccc1CN1CCCC[C@H]1c1n[nH]cc1-c1cc(C)no1 19134021 MYPDNJKOMXKHTQ-SFHVURJKSA-N 366.465 4.417 0 40 FIAB COc1ccc(OC)c(CN2CCC[C@H](c3nc(C)n4ccccc34)C2)c1 19240666 DKWMRFTYLCZNCT-KRWDZBQOSA-N 365.477 4.040 0 40 FIAB O=C(OCc1ccccc1)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 20854564 ZWBKHONPFCCCCZ-UXHICEINSA-N 363.457 4.126 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1cnc(SC)n1-c1ccccc1 21342294 SGDWOSMPLIVODQ-CQSZACIVSA-N 367.474 4.094 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)cc1 21806715 WEKRAFBGCNXGHC-CQSZACIVSA-N 351.406 4.013 0 40 FIAB Cc1cccc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1 23864536 CIBZTVPDIVTCNX-INIZCTEOSA-N 365.502 4.124 0 40 FIAB CCCCc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)cc1 28224608 QQJNROLJYQHJOV-LBPRGKRZSA-N 350.260 4.188 0 40 FIAB Fc1ccccc1Cn1ccc(Nc2nnc(-c3ccccc3)s2)n1 28242756 UVESFOVZCRZBTL-UHFFFAOYSA-N 351.410 4.333 0 40 FIAB O=C(OCc1ccc(-n2cccn2)cc1)C1(c2ccc(F)cc2)CCC1 40050492 CQMZYVVNBPWZSJ-UHFFFAOYSA-N 350.393 4.177 0 40 FIAB Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 40128007 NFIJWBKQCCEYDZ-UHFFFAOYSA-N 369.446 4.095 0 40 FIAB C[C@H](CCc1ccccc1)N1CCC(C(=O)NCc2ccccc2)CC1 40156913 JXBUCFCIJHPQAD-LJQANCHMSA-N 350.506 4.036 0 40 FIAB CC(C)c1cc(NC(=O)CSc2nc3cc(Cl)ccc3n2C)on1 44049220 CXJQZTTUFAQBMB-UHFFFAOYSA-N 364.858 4.069 0 40 FIAB CC[C@@H](c1nnc(SC/C=C/Cl)n1-c1ccc(OC)cc1)N(C)C 44172200 QOBMVEVGYBHSFS-VQCVXAJWSA-N 366.918 4.133 0 40 FIAB O=C1c2ccccc2C(=O)N1CCCSC1=Nc2ccccc2CS1 45494108 JAQHZWCKDQCDSK-UHFFFAOYSA-N 368.483 4.340 0 40 FIAB Cc1nc(NC(=O)CSc2nc3cc(Cl)ccc3n2C)sc1C 46882410 YRXJNDSNNDXZAK-UHFFFAOYSA-N 366.899 4.031 0 40 FIAB C[C@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(-c2ccccc2)cc1 47469761 QLFBHQQBARZJPL-KRWDZBQOSA-N 363.505 4.341 0 40 FIAB CC1(C)CC[C@@H](NC(=O)NCc2cn3ccsc3n2)c2ccccc21 57635317 HITWTQWBNSXZML-MRXNPFEDSA-N 354.479 4.008 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C)n1Cc1ccccc1 58142390 OKMVMFQSLUFPDW-HXUWFJFHSA-N 362.477 4.244 0 40 FIAB O=S(=O)(c1csc(-c2ccc(F)cc2)n1)N(C1CCCC1)C1CC1 58368418 FSMPQYOZVWBGPU-UHFFFAOYSA-N 366.483 4.045 0 40 FIAB CO[C@H](C(=O)Nc1nc(-c2ccc3c(c2)COC3)cs1)c1ccccc1 61338062 LDQMJVKPBGAYGQ-SFHVURJKSA-N 366.442 4.167 0 40 FIAB CC(C)c1nc(COc2cccc(-c3nc4cc(F)ccc4n3C)c2)no1 72311170 SSAISELOOIWYPQ-UHFFFAOYSA-N 366.396 4.465 0 40 FIAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72349143 ZEXKIASVBYTLJP-SFHVURJKSA-N 373.456 4.172 0 40 FIAB Fc1ccccc1Cc1cccc([C@@H]2CCCN(C3CCOCC3)C2)n1 72350094 STDCJOZGFPKCJO-GOSISDBHSA-N 354.469 4.170 0 40 FIAB O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358943 QKOOKPITMPDDNL-MRXNPFEDSA-N 353.441 4.179 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CCCCC2 72404750 RJHXCBGOFHDNIW-HXUWFJFHSA-N 368.521 4.207 0 40 FIAB O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)Nc1nncs1 84364355 ZKQDRMCQNVCBBH-UHFFFAOYSA-N 370.400 4.190 0 40 FIAB O=C(Nc1ccc(F)nc1)c1nn(-c2ccccc2Cl)c2c1CCCC2 95423985 JTSDZGJUVSYETQ-UHFFFAOYSA-N 370.815 4.191 0 40 FIAB CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(C)s3)CC2)c2ccccc21 96052575 BOVZGORVCYSDEQ-KRWDZBQOSA-N 368.546 4.214 0 40 FIAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1ccco1 101095874 VIDHJBUVWBZMNZ-UHFFFAOYSA-N 352.390 4.383 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2cccc3ccccc23)cc1 218913767 MHKDZURSYJKSHS-UHFFFAOYSA-N 363.457 4.366 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCSCc2ccccc2)c(C)c1 218996472 PZRBFIUYVLMYEG-UHFFFAOYSA-N 357.475 4.434 0 40 FIAB O=C(c1cc(-c2cccs2)on1)N1CCS[C@H](c2ccco2)CC1 219422245 YSQCGNRHQFNKJM-INIZCTEOSA-N 360.460 4.317 0 40 FIAB CCOc1ccc(C(=O)N2CCOCC2)cc1CSc1ccc(C)cc1 224665958 WHAMBYFOLKRDQK-UHFFFAOYSA-N 371.502 4.158 0 40 FIAB O=C(NCC1CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225206789 RXZCHVXLCJBGII-RGEXLXHISA-N 368.502 4.216 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccccc2)c1 225385212 LKVGBCGZNICBTJ-UHFFFAOYSA-N 362.882 4.046 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)C 225631078 YAAXMCZYZUHYJB-GFCCVEGCSA-N 359.297 4.035 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 226093271 ZZBLYLXPKNAHGP-UHFFFAOYSA-N 351.406 4.045 0 40 FIAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(-c3cccs3)[nH]n2)n1 329085190 GFTPSAFPKGXACK-AWEZNQCLSA-N 358.492 4.271 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 408674111 YKESFTGFGXCLGJ-NVXWUHKLSA-N 351.446 4.467 0 40 FIAB CCOC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1C)c1ccccc1 408996916 BTNJTPYBNKPYRD-KRWDZBQOSA-N 360.841 4.464 0 40 FIAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409236170 RQLSLGKYPHFGJO-NTEUORMPSA-N 363.200 4.099 0 40 FIAB CC[C@H](C)[C@H](NC(=O)NCCc1ccccc1)c1nc2ccccc2[nH]1 524732938 CZTDPNVJLKSZHH-KXBFYZLASA-N 350.466 4.192 0 40 FIAB Cc1ccc2c(c1)CN(C(=O)c1cccc(OCC(F)F)n1)C(C)(C)C2 622621069 RVCRZKLRXJDCCI-UHFFFAOYSA-N 360.404 4.011 0 40 FIAB O=C(c1ccccc1)N1CC[C@@H](C(=O)N2CCC[C@H]2CCC2CCCC2)C1 626182454 LJUCVXBXRSAMHD-RTWAWAEBSA-N 368.521 4.110 0 40 FIAB Cc1cc(F)c(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c(Cl)c1 952994714 IFCMHBMLPAPAHP-GJZGRUSLSA-N 362.832 4.482 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccccc3)ccn2)o1 1632828466 VJGMIPRMCNCNNG-UHFFFAOYSA-N 358.401 4.147 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCO3 929997 ABMSFJMGCVAEPM-UHFFFAOYSA-N 370.405 4.142 0 40 FIAB Nc1nc(CSc2nc3ccccc3s2)nc(Nc2ccccc2)n1 1059931 VZNUWLVEEAJGDG-UHFFFAOYSA-N 366.475 4.099 0 40 FIAB Cc1ccc(Sc2cc(CS(=O)(=O)c3ccccc3)nc(C)n2)cc1 1392260 CCRCFARHKSJXQB-UHFFFAOYSA-N 370.499 4.219 0 40 FIAB O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccccc1 1405298 GKKQFKDNACKZOK-UHFFFAOYSA-N 371.487 4.408 0 40 FIAB CCOC(=O)[C@@H](Cc1ccc(Br)cc1)c1nc2ccccc2[nH]1 2269331 HYYVXHULDMWTTA-AWEZNQCLSA-N 373.250 4.215 0 40 FIAB Cc1cnc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)s1 2629120 CTNHZNQZGMQDIE-INIZCTEOSA-N 373.522 4.142 0 40 FIAB O=S(=O)(NCCSCc1ccccc1)c1ccc2ccccc2c1 3065986 OAPOEEQJNUTKCO-UHFFFAOYSA-N 357.500 4.052 0 40 FIAB CCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 3315946 HFRSHZUSGPYOJZ-SDNWHVSQSA-N 361.445 4.087 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 3422949 UWXUJMMHMOPEGK-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB CCOc1ccccc1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4033011 ITBRHZNXLKKTCO-UHFFFAOYSA-N 358.401 4.047 0 40 FIAB CCC(=O)N(Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 4231050 WZUOMWGNBLGZOK-UHFFFAOYSA-N 366.436 4.223 0 40 FIAB CCc1c(C)sc2nc(C)nc(SCC(=O)NC3CCCCC3)c12 4888798 URUOANSSCVVEQC-UHFFFAOYSA-N 363.552 4.412 0 40 FIAB C[C@H](O[P@@](C)(=O)Oc1ccc(NC(=O)CCC(=O)O)cc1)C(C)(C)C 5515563 NWUFPMJLZOWRPY-UOXLDJKESA-N 371.370 4.143 0 40 FIAB COc1ccc([C@H]2C=C(C(=O)O)c3c(ccc4ccccc34)N2)cc1OC 5738790 SLFYTKXTUDRPQI-GOSISDBHSA-N 361.397 4.492 0 40 FIAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)C1 5795175 XSGRTWSUPRQSSH-AWEZNQCLSA-N 373.522 4.385 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(OC(F)F)c1 6390620 STEHSPNORLSOCJ-UHFFFAOYSA-N 363.360 4.207 0 40 FIAB CCOc1ccccc1OCCC(=O)Nc1nc(-c2cccnc2)cs1 6832178 SZXALKNFABBHFP-UHFFFAOYSA-N 369.446 4.011 0 40 FIAB COC[C@@H](C)Nc1nc(-c2ccc(OC)c(Br)c2)cs1 7763410 KVBFAUYJTYRVRX-SECBINFHSA-N 357.273 4.028 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1C 8189953 LQJGSPVIAVASPV-UHFFFAOYSA-N 353.466 4.467 0 40 FIAB Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)O)c(Br)c2)c1 8368003 HXSFICXAJQWVIJ-DJKKODMXSA-N 362.223 4.280 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)CCCSc1nc2ccccc2[nH]1 8405359 YYKRXIFCLNZTKA-CQSZACIVSA-N 369.490 4.321 0 40 FIAB C[C@@H](Sc1nnc(Nc2ccccc2Cl)s1)C(=O)N1CCCC1 9156186 XJGKAXNILAAAIU-SNVBAGLBSA-N 368.915 4.038 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C)o2)c1 9255202 XYBTZMDNHYSTRH-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccccc1F)c1ccccc1F 9426032 PNZGCOFBTMJDNV-UHFFFAOYSA-N 359.397 4.360 0 40 FIAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCC1CCCCC1 9579310 NBZQIFMBVJPZHJ-OAQYLSRUSA-N 364.489 4.244 0 40 FIAB COc1ccc2cc(CNC(=O)c3ccc(NC(=O)C4CC4)cc3)ccc2c1 9939439 WLXCESGBBUSDBN-UHFFFAOYSA-N 374.440 4.127 0 40 FIAB O=C(NCCCc1ccc(Cl)cc1)c1ccccc1Br 10542397 LJFKWVZVMUZKGB-UHFFFAOYSA-N 352.659 4.465 0 40 FIAB Cc1cc(-c2snnc2C2CCN(Cc3cccn3C(C)C)CC2)on1 12224042 IKCPOQNVKAEBED-UHFFFAOYSA-N 371.510 4.264 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)c1 12607691 PCCFMEHGQOQLHE-OAQYLSRUSA-N 373.456 4.194 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1ccc(Cl)s1 14093183 FERRXCSERYPVJA-FROQITRMSA-N 372.881 4.215 0 40 FIAB Cc1cccc2c(=O)n(CC(=O)Nc3ccccc3-c3ccccc3)cnc12 14197488 SXPLSBBJXSLFSZ-UHFFFAOYSA-N 369.424 4.011 0 40 FIAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc(OC)c1OC 15084975 YIMNOZNMIXZWDA-ZDUSSCGKSA-N 373.474 4.127 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCOc1ccc(C)cc1 15608720 QHDWRCALDFTGLT-QGZVFWFLSA-N 368.477 4.321 0 40 FIAB CC(C)c1nnc(NC(=O)/C=C/c2cccc(Br)c2)s1 16965769 FPCOUCYAPCERPC-VOTSOKGWSA-N 352.257 4.076 0 40 FIAB O=C1NC(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2Cl)S1 17074832 WMYHJIYPQYXLJJ-CHHVJCJISA-N 363.797 4.382 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@H](C)n2ccnc2C(C)C)c2cccnc2)cc1 19136589 IJJOHLAXJREWSS-PXNSSMCTSA-N 362.477 4.177 0 40 FIAB CCOCCCNc1ncc(-c2ccc(Cl)cc2)c(-c2nccn2C)n1 19531051 ZVBDREURJPHGSP-UHFFFAOYSA-N 371.872 4.036 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1C 20899406 SQPVFCDSXVQRNC-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 24773730 SLQPCNUBDZGZDI-UHFFFAOYSA-N 354.262 4.121 0 40 FIAB CC[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(OC)cc1 25513025 CTKICNSRPMVVSP-QGZVFWFLSA-N 367.367 4.360 0 40 FIAB O=C(CCc1ccc(Cl)cc1)Nc1ccn(Cc2ccccc2F)n1 28244223 KJPYPTWXXQSKOT-UHFFFAOYSA-N 357.816 4.295 0 40 FIAB COc1ccc([C@H]2CCCCCN2C[C@H](O)COc2ccccc2F)cc1 34894781 IXBUGEWJPBWPTL-GHTZIAJQSA-N 373.468 4.191 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)c2ccccc12 35592618 CULTVZADRZLAPL-UHFFFAOYSA-N 363.822 4.008 0 40 FIAB CCCCNC(=O)c1sc2nc(C)cc(COC)c2c1-n1cccc1 38141749 WZMMPCKKFCMQJC-UHFFFAOYSA-N 357.479 4.072 0 40 FIAB O=C(CSc1ccc(F)cc1)Nc1c2c(nn1-c1ccccc1)CCC2 38510778 INSSEJWVKCVCOU-UHFFFAOYSA-N 367.449 4.231 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 38771957 YPJRZXBFOZQKNE-GOSISDBHSA-N 366.505 4.418 0 40 FIAB O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cc(-c2ccco2)on1 40115334 AXGXGQLQMUSEDE-UHFFFAOYSA-N 374.400 4.456 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)CCc1ccc(C(C)C)cc1 40140927 DOMXDMPWKYDAHW-UHFFFAOYSA-N 352.478 4.114 0 40 FIAB O=C(c1cccc(CN2CCOCC2)c1)c1ccc(Cl)cc1Cl 43211033 AJTDUSJBWDNPIX-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)c2c(OC)cccc2OC)cc1 44842351 IKDNUIWDTLBLIE-KRWDZBQOSA-N 357.450 4.230 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(Cn2ccnc2)c1 44886129 CTKKPBHMNBOOQI-UHFFFAOYSA-N 360.461 4.174 0 40 FIAB c1ccc([C@@H]2CN(Cc3nc(-c4ccccn4)no3)Cc3ccccc32)cc1 48342235 DOFVDZVLHWHTKO-FQEVSTJZSA-N 368.440 4.279 0 40 FIAB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccccc2N2CCCCCC2)c1 53299160 QPXMWYPAHZHDON-UHFFFAOYSA-N 369.440 4.417 0 40 FIAB CCC1CCC(N(C(=O)Cc2csc(-c3ncccn3)n2)C2CC2)CC1 58125259 DDUBQDKIPVIHGF-UHFFFAOYSA-N 370.522 4.102 0 40 FIAB COc1cc(CN(C)C(=O)N[C@@H]2CCOc3ccccc32)ccc1SC 58268633 CFASCGLRYTWTND-MRXNPFEDSA-N 372.490 4.082 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(c1ccccc1)C(C)C 59339777 HCTSRTROCFXXGQ-UHFFFAOYSA-N 361.445 4.113 0 40 FIAB Cc1cc(CNC(=O)c2cc3sc(Nc4ccccc4)nc3s2)no1 62292334 YRVSUSZFMDNQMI-UHFFFAOYSA-N 370.459 4.328 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc[n+]([O-])c4)cc3)sc2c1 70706189 HSZRXBRRHAIRBN-UHFFFAOYSA-N 361.426 4.157 0 40 FIAB Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCN(C2CCCCCC2)C1 72230571 YGVUYBVSOGRYPS-OAHLLOKOSA-N 363.571 4.276 0 40 FIAB O=C(c1ccnc(Br)c1)N1CCC[C@H](c2ccccc2)CC1 79097084 CVRBIOXZBMVESK-HNNXBMFYSA-N 359.267 4.254 0 40 FIAB Cc1noc(C)c1COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101641087 CMYCIQGOXFZHBA-QJRTVWDNSA-N 368.271 4.069 0 40 FIAB O=C(C[C@@H]1OCCc2ccccc21)Nc1scnc1-c1ccccc1 115049742 CETMUJUTVKBCBV-KRWDZBQOSA-N 350.443 4.453 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)COc1ccccc1C 219320923 MNYDLNCBOWSDHD-WBVHZDCISA-N 361.869 4.390 0 40 FIAB CC(C)Oc1ccccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219746561 OZJYQJCBEZIZBJ-UHFFFAOYSA-N 371.824 4.107 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 222776608 IGAXZIMDCDICGH-WOJBJXKFSA-N 362.502 4.173 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)c1C 223551089 ZAZQXHHPINVXCP-SFHVURJKSA-N 363.457 4.419 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)c1C 223789456 GYXKVCYPRBZGLI-GOSISDBHSA-N 355.478 4.389 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)c1 224080564 ZASGXGYDIJCXFE-UHFFFAOYSA-N 352.478 4.103 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 224425779 BGBOOYQTKWYDBI-GOSISDBHSA-N 355.478 4.137 0 40 FIAB Cc1ccc(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c(C)c1 225178683 CMLZADCNCGYANZ-UHFFFAOYSA-N 354.475 4.442 0 40 FIAB COC[C@H](C)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225192104 MGXVZJCRRRUQCJ-NSHDSACASA-N 367.927 4.208 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(C)cc1C 225341952 OLFLUQZAMWRDCV-ZDUSSCGKSA-N 353.871 4.005 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccccc1F)CC(C)(C)O2 225681873 JLZLSDYYHNLWSO-INIZCTEOSA-N 360.454 4.423 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)c(C)c3)s2)cc1 225820757 URLGZHIZKJOWBE-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C 408611405 WESUWUZASCVTFK-UHFFFAOYSA-N 360.479 4.186 0 40 FIAB CCc1cc(-c2nc(C3(OC)CCC(c4ccccc4)CC3)no2)n[nH]1 508587767 MKQFAJFMRZBSLA-UHFFFAOYSA-N 352.438 4.222 0 40 FIAB O=C(Cc1cccc2ccccc12)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 553044030 RINJOORULABNNF-SMIHKQSGSA-N 371.480 4.413 0 40 FIAB CC(C)Sc1ccc(CC(=O)N2CCOc3ccc(F)cc3C2)cc1 575616577 QMLINUNVQJUZAP-UHFFFAOYSA-N 359.466 4.290 0 40 FIAB Fc1ccc(OCc2cc([C@H]3CCN(Cc4ccccc4)C3)n[nH]2)cc1 585260857 OZLZAPAXGHNKEH-KRWDZBQOSA-N 351.425 4.117 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)N1CCCN(C2CCC2)CC1 827939040 CJHPITYYVRAHPM-UHFFFAOYSA-N 362.517 4.295 0 40 FIAB Cc1ccc(CNC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1 803883 KFRNOXPJPSPPHV-UHFFFAOYSA-N 374.469 4.179 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 942586 GMLGQLIVACDGDL-CQSZACIVSA-N 368.385 4.142 0 40 FIAB O=C(c1cccc2ccccc12)n1c(=O)oc2cc(Br)ccc21 1512925 HWBZUCHHCYRTDO-UHFFFAOYSA-N 368.186 4.199 0 40 FIAB biogenic CC(C)(C)c1ccc(COC(=O)c2ccc(N3CCCC3=O)cc2)cc1 2625318 XRZUYNPILUOFIM-UHFFFAOYSA-N 351.446 4.468 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)C(C)(C)C)cc12 2642398 UTNJEPITKMSWOF-UHFFFAOYSA-N 374.437 4.307 0 40 FIAB C/C=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)c(OC)c1 2648580 FNMQTYDAZRCKDP-SNAWJCMRSA-N 361.825 4.408 0 40 FIAB O=C(Nc1cccc(Br)c1)c1ccc(Br)cc1 3159565 KMDCBNBBHCEQSL-UHFFFAOYSA-N 355.029 4.464 0 40 FIAB O=C(CCc1nc2ccccc2s1)OCC(=O)c1cc2ccccc2o1 3332235 VKVFVWDGPOPPGL-UHFFFAOYSA-N 365.410 4.401 0 40 FIAB CCc1nc2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2nc1CC 3347772 HZYVNJRLXFWCRW-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)Nc2cc(Cl)c(OC)cc2OC)cc1 3354487 TWVQOCRHDIAVKA-GFCCVEGCSA-N 362.857 4.359 0 40 FIAB COc1ccccc1/C=C(/C(=O)O[C@H]1CCCCC1=O)c1ccccc1 3362993 HFVMJIJDFXQWKJ-RHYRFBSLSA-N 350.414 4.291 0 40 FIAB C[C@H]1CCc2sc(C(=O)OCC(=O)NCCC3=CCCCC3)cc2C1 3429213 LJYSCRRWYCSVPD-AWEZNQCLSA-N 361.507 4.036 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 3457590 GPEYEWSKHPEXPG-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4732044 NNKQBHFMETZZNY-HUUCEWRRSA-N 354.425 4.331 0 40 FIAB O=C1C[C@@H](c2ccccc2)Cc2nc(N3CCCc4ccccc43)ncc21 4747478 ZNAIWHVJSVULCL-SFHVURJKSA-N 355.441 4.474 0 40 FIAB CCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc12 4895200 FCTVTZHXZOPHFX-UHFFFAOYSA-N 369.465 4.363 0 40 FIAB COc1ccc(C2(NC(=O)c3cc(C(C)(C)C)n[nH]3)CCCCC2)cc1 4908383 CVIVSLNQWHKXGA-UHFFFAOYSA-N 355.482 4.305 0 40 FIAB O=C(c1ccc(F)cc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 4932528 CAFLJWJCUWPAKI-UHFFFAOYSA-N 369.371 4.035 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 4933171 YOFNFIUMNASVHS-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccccc2Cl)c1=O 5269118 LYJDCXKWYWAGHE-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1cccc(C)c1OCCSc1nnc(-c2ccccc2Cl)n1N 6784961 QNOLQSKNFBHGKL-UHFFFAOYSA-N 374.897 4.100 0 40 FIAB CN(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 6871435 DOTUSJHFTWOYTG-UHFFFAOYSA-N 357.461 4.061 0 40 FIAB CCN1C(=O)S[C@H](Cc2ccccc2OCc2ccccc2F)C1=O 6952961 WREQCQBYKJPPEU-QGZVFWFLSA-N 359.422 4.031 0 40 FIAB COc1cc(NC(=O)CNc2ccc(Cl)cc2Cl)cc(OC)c1 7006907 ZIZMWYBHBBTKML-UHFFFAOYSA-N 355.221 4.061 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=S)Nc2ccccc2F)c(OC)c1 8149726 PYJCSTTXVYSLRO-KRWDZBQOSA-N 360.454 4.377 0 40 FIAB Fc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1 8191540 NIKFAKCADLQXND-UHFFFAOYSA-N 369.450 4.217 0 40 FIAB Cn1c(Cc2cccs2)nnc1SCc1cc(-c2ccccc2)on1 8506382 SGUBODRGDYYUES-UHFFFAOYSA-N 368.487 4.415 0 40 FIAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccco3)cc21 8959962 YGDAEEPHPJECOO-UHFFFAOYSA-N 370.449 4.330 0 40 FIAB O=S(=O)(c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCCCC1 9321956 OUTQNBLWAFAJMO-UHFFFAOYSA-N 368.458 4.202 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N(CCc1cccs1)Cc1cccs1 9863036 ZPOZIGVTBHUQQD-UHFFFAOYSA-N 371.483 4.423 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 10030063 PDWLKZNARGYZID-OAHLLOKOSA-N 366.490 4.001 0 40 FIAB CCSc1ccc(CC(=O)Nc2nnc(-c3ccccc3OC)o2)cc1 10252521 VGEIYZHMVFKCSL-UHFFFAOYSA-N 369.446 4.038 0 40 FIAB O=S(=O)(N[C@H](c1cccs1)C1CC1)c1c(Cl)cccc1Cl 10683158 KRYARFXJUKFJCP-ZDUSSCGKSA-N 362.303 4.485 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 12389959 GINIVMORTPZGGX-UHFFFAOYSA-N 372.877 4.074 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(F)ccc1OCC(F)(F)F 12753022 WASQNZTTXHRWGS-UHFFFAOYSA-N 366.314 4.429 0 40 FIAB CC[C@H](C)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 12789441 QCOAOHSWOXVLDO-IFXJQAMLSA-N 357.450 4.481 0 40 FIAB COc1ccc(C(C)=O)c(OCc2cc(-c3ccccc3OC)no2)c1 12925632 VKJDHSYDNAEZJN-UHFFFAOYSA-N 353.374 4.140 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ncc(-c2ccc(F)cc2)o1 12981234 ALMWLABMUZGFJF-UHFFFAOYSA-N 373.815 4.205 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 14014647 JJLLXWIXJHYKOI-UHFFFAOYSA-N 352.463 4.326 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)NCCSc1ccccc1 14123379 BQBGDVRILNXIHB-UHFFFAOYSA-N 360.529 4.323 0 40 FIAB C/C=C/c1ccc(OCC(=O)N(C)Cc2ccc(SC)cc2)c(OC)c1 14139452 YCUSYAGAVFICHV-AATRIKPKSA-N 371.502 4.488 0 40 FIAB CCCc1c(C(=O)OCC)nnc2c(-c3cccc4ccccc34)c(C)nn12 14164794 CYYDGYPFUKYOPA-UHFFFAOYSA-N 374.444 4.382 0 40 FIAB O=C(Cn1cnc2ccccc21)Nc1ccc(Cl)c(C(F)(F)F)c1 14737558 FFAIZACIHGTYIC-UHFFFAOYSA-N 353.731 4.347 0 40 FIAB O=C(COc1ccc(F)c(Cl)c1)Nc1cccc(Br)c1 15281003 BDHWYGFKWYIMRL-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)O)sc2c1 15832857 QQGLHHCKPRURCC-UHFFFAOYSA-N 358.444 4.034 0 40 FIAB COc1cccc(CNC(=O)N[C@@H](C)c2ccccc2Br)c1 17069976 ICZDNETXKAIYEL-LBPRGKRZSA-N 363.255 4.018 0 40 FIAB Cc1cc(C)c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 17072738 GUEQRXHYFFGOOL-UHFFFAOYSA-N 350.462 4.490 0 40 FIAB CN(C)C1CCC2(CC1)CN(C(=O)CC1CCCC1)Cc1ccccc1O2 19583979 WNZHDVXSWVFSLQ-UHFFFAOYSA-N 370.537 4.231 0 40 FIAB Cn1c(=O)oc2ccc(C(=O)Nc3cccc(-c4ccc(F)cc4)c3)cc21 19658520 FFARSXHDGZEBQM-UHFFFAOYSA-N 362.360 4.190 0 40 FIAB c1coc(-c2nnc(CN3CCC[C@H](c4nc5ccccc5s4)C3)o2)c1 24601885 ZQXPHSRJXFWLNE-ZDUSSCGKSA-N 366.446 4.319 0 40 FIAB O=C(c1cc(C2CC2)on1)N(CCc1ccccc1)Cc1cccs1 25669806 GWWLEYWRQHHTTQ-UHFFFAOYSA-N 352.459 4.499 0 40 FIAB CC(C)c1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 32664958 AADKAFKIVUASIG-JKSUJKDBSA-N 359.514 4.008 0 40 FIAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2cc(C)no2)ccc1OC(C)C 32932476 AMDMWHULHHETMF-SYJIQKIWSA-N 370.449 4.156 0 40 FIAB Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)c1 35289782 NUVVCMHVENXTJO-FRIKZZABSA-N 366.480 4.450 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccco1 38755982 VUKRKTAOMKNCRA-HNNXBMFYSA-N 353.871 4.140 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39998579 ZKIZGQRVMHFVNZ-JTQLQIEISA-N 371.915 4.326 0 40 FIAB CSc1ccc([C@@H](CNC(=O)C(C)C)N2CCc3sccc3C2)cc1 40108571 GGZJRJRVWCMSIC-GOSISDBHSA-N 374.575 4.342 0 40 FIAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCCCCCC1 44355116 IQAFZUFPLSPYSR-UHFFFAOYSA-N 364.511 4.201 0 40 FIAB C[C@H]1CCCC[C@@H]1OCCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 48237298 FYCYQQRHCFJUHJ-JTSKRJEESA-N 370.537 4.139 0 40 FIAB c1ccc(Cc2noc(CN3CCn4cccc4[C@@H]3c3ccccc3)n2)cc1 48365011 HISOASFEHDJTNT-QHCPKHFHSA-N 370.456 4.067 0 40 FIAB Cc1ccc(-c2nc3cnccn3c2NCc2ccc3c(c2)OCO3)s1 57721464 HPLVVIUMVKSYBT-UHFFFAOYSA-N 364.430 4.107 0 40 FIAB O=C(CCCNC(=O)c1ccc(F)cc1F)O[C@@H]1CCCc2ccccc21 58017836 WPBHJOJBJCLIGP-LJQANCHMSA-N 373.399 4.096 0 40 FIAB COc1cccc(C(=O)NCc2cccc(CN3CCCCCC3)c2)c1 58173175 ZZOFJBYRGLBDSZ-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccccc2)cc1OCC 60385298 JSEJRRBCWOSWIB-ACCUITESSA-N 368.429 4.313 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3ncccc3c2)cc1 72221796 COFPAVPYIDROKF-HXUWFJFHSA-N 352.459 4.069 0 40 FIAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1Cl 72227938 XYFULWJPYFRXTF-LSDHHAIUSA-N 371.651 4.071 0 40 FIAB Cc1ccc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)s1 96058701 WPDMUQIBBWVIKD-UHFFFAOYSA-N 353.466 4.253 0 40 FIAB CCCCCCC(=O)Oc1ccccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 102615654 NHZPULSKILLECX-BRWVUGGUSA-N 371.477 4.488 0 40 FIAB C[C@H](c1nc2ccccc2o1)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O 108170652 JEIPKBGMKRCXBO-DYVFJYSZSA-N 369.852 4.280 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)s1 223506815 XOMVALDDEGJLRZ-LBPRGKRZSA-N 371.915 4.490 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)cc1C 224642107 VZYHNBOCCKQWJW-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)cc2)cc1 225264240 HXPOXIAIVWXOEP-GFCCVEGCSA-N 350.871 4.103 0 40 FIAB Cc1cc(C)c(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1C 225652507 YKDNQXLVXSPGDQ-UHFFFAOYSA-N 355.825 4.245 0 40 FIAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3OC(C)C)ccc2c1 225711824 CTBFKDAFPBFXSF-UHFFFAOYSA-N 371.458 4.436 0 40 FIAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)Nc1ccccc1Cl 240002268 PQUKWPGMFGNGEI-QGZVFWFLSA-N 362.838 4.052 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(Br)c1 408705468 GNOCEWPCISDXHD-INIZCTEOSA-N 364.239 4.254 0 40 FIAB CN(Cc1ccccc1)C(=O)CSCc1cccc(Br)c1 408782261 GNCJOWTUTDPQOW-UHFFFAOYSA-N 364.308 4.341 0 40 FIAB COCc1ccc([C@H]2CCCN2C(=O)c2cccc3c2OCC3(C)C)o1 684061281 VLUNSHHRJZNPIJ-QGZVFWFLSA-N 355.434 4.073 0 40 FIAB Cc1cc(C(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)nc2ccccc12 1629935305 ZINRCAZWBIKYRF-UHFFFAOYSA-N 364.355 4.464 0 40 FIAB O=C(O)C1[C@H](c2ccccc2)C(C(=O)Oc2ccccc2)[C@H]1c1ccccc1 885225 IWZLOIAVWMAQKN-PHZLKFDYSA-N 372.420 4.490 0 40 FIAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1cccc(C(C)=O)c1 956542 CQCZFBIZFGPOOM-UHFFFAOYSA-N 352.365 4.497 0 40 FIAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1F 1385906 VWCMEDNSRSAXSO-HXUWFJFHSA-N 359.404 4.416 0 40 FIAB CC[C@H]([C@H](O)c1ccc(Cl)cc1)C(O)(C(F)(F)F)C(F)(F)F 1623591 ZHRDRMDRIBLBEU-NXEZZACHSA-N 350.686 4.255 0 40 FIAB COc1ccccc1/C=C/C(=O)NCCc1c[nH]c2ccc(Cl)cc12 2241026 JJVMDNJEJWZIRU-RMKNXTFCSA-N 354.837 4.202 0 40 FIAB Cc1ccccc1-n1nc(-c2cccc(Br)c2)cc1C(=O)O 2641515 UNXHMKUOOCPCLK-UHFFFAOYSA-N 357.207 4.308 0 40 FIAB Cc1ccccc1NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2649248 XQJDOPWZFWSXPZ-MRXNPFEDSA-N 372.730 4.457 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(C)c3)C2=O)ccc1O 2685574 OWCVXZIDYZSTAI-GZTJUZNOSA-N 355.415 4.340 0 40 FIAB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 3610874 DTNNUFDHDRERGU-QGZVFWFLSA-N 367.207 4.100 0 40 FIAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc(C)c2)CSC3)cc1 3892401 QGJSKCDVLUKSDK-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB O=C(Cc1ccc(F)cc1)N1CCN=C1SCc1cccc(Cl)c1 4120632 FGHPKDPDQCUCRA-UHFFFAOYSA-N 362.857 4.153 0 40 FIAB CC(C)CNC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 4657259 BUMQHMPMNSBJGO-UHFFFAOYSA-N 373.400 4.010 0 40 FIAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccco2)n1C(C)C 4736120 LJAZIKMHVYMUAQ-UHFFFAOYSA-N 374.441 4.297 0 40 FIAB COc1cc(CN)c(Br)cc1OCc1ccccc1Cl 4855840 HTGOJZLGNUBGCW-UHFFFAOYSA-N 356.647 4.149 0 40 FIAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccco1 4857251 IYUWCOMEBIJSFY-AYHJJNSGSA-N 355.507 4.152 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099313 HDQXRDHLZKLXFB-UHFFFAOYSA-N 360.413 4.433 0 40 FIAB CCSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 5241153 ALOKVOPQDUMTMV-UHFFFAOYSA-N 374.531 4.480 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1 5259216 AWPYDGFDYSUQFI-UHFFFAOYSA-N 358.445 4.305 0 40 FIAB O=C([C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1)N1CCCC1 5472489 VINTZBHCDZHHOA-QGZVFWFLSA-N 365.458 4.192 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 6306220 KEJZTCHKYHEONG-UHFFFAOYSA-N 351.402 4.108 0 40 FIAB Cc1nn(-c2ccccc2)c(O)c1C(=O)Nc1ccc(Cl)c(Cl)c1 6383604 NHUQUWOGSMKMPP-UHFFFAOYSA-N 362.216 4.445 0 40 FIAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccc(Cl)nc2)cc1 6633851 IVOIFJUCEHHSLH-UHFFFAOYSA-N 366.804 4.344 0 40 FIAB Cc1c(C(=O)Nc2nonc2-c2ccc(F)cc2)oc2ccc(F)cc12 6661594 YJYDFLYZSMZGNS-UHFFFAOYSA-N 355.300 4.322 0 40 FIAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1)c1ccccc1 6752644 OOPMRINUCGXNTF-UHFFFAOYSA-N 369.468 4.447 0 40 FIAB Cc1cnc(NC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)s1 6944662 MHVUJFWRFXHEMW-CMDGGOBGSA-N 356.426 4.045 0 40 FIAB COc1cccc(CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1OC 7293400 ZXRGRLFKLPAYJN-UHFFFAOYSA-N 373.840 4.039 0 40 FIAB CCOc1ccc(CC(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 7614806 LQXDRXOXRKUKAW-UHFFFAOYSA-N 350.443 4.294 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)CCCC3)c(C)c1 7645730 PDXAQQVYEHUNLU-UHFFFAOYSA-N 370.518 4.263 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccccc1C 8040712 XCTNRFLGTWOMRM-SFHVURJKSA-N 373.518 4.211 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2s1 8405946 QXCMTXDSKNJNMX-HNNXBMFYSA-N 366.442 4.045 0 40 FIAB O=C(Cn1c(-c2cscn2)nc2ccccc21)N1CCCc2ccccc21 8706388 CZLPIXHRTAOQAK-UHFFFAOYSA-N 374.469 4.139 0 40 FIAB Cc1csc2nc(CN(C)Cc3ccc(Cl)cc3Cl)cc(=O)n12 8734295 CRSNYUOLACDMGX-UHFFFAOYSA-N 368.289 4.003 0 40 FIAB CNc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 9885014 VVMSTNPHDHEBAZ-JTQLQIEISA-N 367.232 4.219 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccccc4)nc3C2)cc1 10156544 DOFIHUMRPZSTGG-INIZCTEOSA-N 359.429 4.450 0 40 FIAB Cc1cccc(OCC(=O)NCc2csc(-c3ccccc3)n2)c1C 10893546 QXMXFYOCTUIUBT-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB Cc1cccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1 11916537 OAJUKJNULGCMDL-UHFFFAOYSA-N 350.393 4.141 0 40 FIAB COc1cc(CN(C)Cc2n[nH]c3c2CCCC3)ccc1OC1CCCC1 12147151 RRBWIVFXFPSMPY-UHFFFAOYSA-N 369.509 4.251 0 40 FIAB COc1cccc(Nc2nnc(S[C@H]3Cc4ccccc4[C@H]3O)s2)c1 12566980 GFTYDNGXSOUZTH-JKSUJKDBSA-N 371.487 4.041 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ccccc2)C2CC2)cc1Cl 12677313 NYDXVNLXYTXEJP-BFUOFWGJSA-N 358.869 4.417 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 12782151 WNHYBPUUQIBRBG-UHFFFAOYSA-N 363.417 4.076 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 12844539 DDIIIYFJDMORGQ-UHFFFAOYSA-N 370.405 4.057 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCCc2ccccc21 12919058 PSRYJYVSWRGNML-JOCHJYFZSA-N 363.505 4.028 0 40 FIAB CCOc1ccc2nc(Cl)c([C@H]3CC(C4CC4)=NN3C(C)=O)cc2c1 13014071 HXUSGIKDRSUDJB-GOSISDBHSA-N 357.841 4.346 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1 13684595 ICOSYWYFFXSCNR-UHFFFAOYSA-N 368.477 4.158 0 40 FIAB COc1ccccc1-n1c(C)c(C)c2c(NCc3ccccn3)ncnc21 13731561 GABPVARPWVNBCN-UHFFFAOYSA-N 359.433 4.053 0 40 FIAB O=C(NCCSCc1ccccc1)c1ccc(Br)cc1 18150035 IPCDSUWZKBZJFS-UHFFFAOYSA-N 350.281 4.112 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc4ncccc34)n2)cc1 18947568 UFNOTBIRTDLISV-UHFFFAOYSA-N 358.401 4.165 0 40 FIAB CCc1cc(C(=O)N2CCC[C@@H]2c2cccc(OC)c2)c2c(C)noc2n1 19714521 RQCZLGZXNFWKAT-GOSISDBHSA-N 365.433 4.080 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)o1 19927240 HQWGACDNVYWASU-DHZHZOJOSA-N 355.781 4.051 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20038546 DTWAQLSPYNPCHT-INIZCTEOSA-N 366.461 4.343 0 40 FIAB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 20095920 BYCRJXUEXRIKRX-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB CCCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC)cc2)c1 21173209 XDNJIBSWRMHRHK-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(NC(C)(C)C)s2)cc1F 21762616 UARQVFDDMSJHRG-SNVBAGLBSA-N 368.503 4.315 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)C1CCCC1 23731963 PNTQFQWVVAPMEK-UHFFFAOYSA-N 359.901 4.350 0 40 FIAB Cc1ccccc1Nc1nnc(SCc2nc(CC(C)C)no2)s1 25067366 OUHIQTCWGCZGCD-UHFFFAOYSA-N 361.496 4.464 0 40 FIAB Cc1c(C)c(C)c(S(=O)(=O)NCc2nc3ccccc3s2)c(C)c1C 25657340 NWSNNIAUPOUKLF-UHFFFAOYSA-N 374.531 4.317 0 40 FIAB COc1ccc(CCNC(=O)c2oc3cc(C)ccc3c2C)cc1OC 27793992 IKYISKBYNMREPN-UHFFFAOYSA-N 353.418 4.039 0 40 FIAB C[C@@H]1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCO1 29790139 NDGVRGYFEATQIF-CYBMUJFWSA-N 365.351 4.359 0 40 FIAB CCOC(=O)c1ccc(OCc2noc(-c3ccc(Cl)cc3)n2)cc1 31700925 KBEGXADFDVLEAC-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccccc1Cc1ccccc1)Cc1ccccc1 32983495 YPNZHDILCLVMPJ-HSZRJFAPSA-N 372.512 4.180 0 40 FIAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 35040444 SGRIRVMJRDBCOG-AUWXEVLLSA-N 369.895 4.185 0 40 FIAB CC(C)[C@@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 42340563 NPVOLPQSGGFECB-SUMWQHHRSA-N 350.915 4.393 0 40 FIAB O=C(Nc1nnc(-c2ccccn2)s1)c1ccc(OC2CCCC2)cc1 46760558 ONBNEKVPSWTMRD-UHFFFAOYSA-N 366.446 4.174 0 40 FIAB COc1ncccc1C(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 48301047 YRSLKAABFYKADV-UHFFFAOYSA-N 353.447 4.391 0 40 FIAB Cc1nnc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)s1 52797395 KTMKUOKQZJYORI-HNNXBMFYSA-N 356.476 4.088 0 40 FIAB Cc1sc2nc(COCC(F)(F)F)[nH]c(=O)c2c1-c1ccc(F)cc1 55501898 QPLRLBWSORWJLG-UHFFFAOYSA-N 372.343 4.178 0 40 FIAB O=C(CNc1ccccc1Cl)N1N=C(c2ccco2)C[C@@H]1c1ccco1 55530898 CRJIDRUOYCVEFW-MRXNPFEDSA-N 369.808 4.316 0 40 FIAB C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 57406358 KIHXICPAXXYZBY-INIZCTEOSA-N 374.440 4.122 0 40 FIAB Fc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 61967377 MCUAONSRKDHYPR-UHFFFAOYSA-N 368.374 4.046 0 40 FIAB Cc1cc(SCC(=O)N(C)c2ccccc2)nc(-c2ccc(F)cc2)n1 67257174 OYFULOPHWCRJBA-UHFFFAOYSA-N 367.449 4.346 0 40 FIAB O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c12)NC1CCCCC1 71328127 ARVFKNZHUCQUDA-UHFFFAOYSA-N 366.490 4.166 0 40 FIAB COc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2cccnc2)n1 72357683 CUIORXNRBQVEAD-QFIPXVFZSA-N 359.473 4.413 0 40 FIAB O=C(c1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358456 HYOYHOBRWNJBEJ-GOSISDBHSA-N 361.420 4.303 0 40 FIAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCCN2C(=O)C(C)C)n1 72383678 LROYLVBCVIKKNR-OAHLLOKOSA-N 373.526 4.312 0 40 FIAB O=C(c1ccc(Cl)s1)N1CCC(CSC2=NCCS2)CC1 75172407 BBQXGVKZOGLBLQ-UHFFFAOYSA-N 360.957 4.090 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)Nc2c(C)nn(C(C)C)c2C)[C@@H](C)CO1 78933012 KOEMMXAGOHAWDZ-KXBFYZLASA-N 370.497 4.383 0 40 FIAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1 85560115 IBUGUCRDQRRCGA-DEOSSOPVSA-N 357.453 4.003 0 40 FIAB COc1ccc2cc(NC(=O)c3cnn(CC(C)C)c3C3CC3)ccc2n1 92290836 LLVDUYLOIPGGSW-UHFFFAOYSA-N 364.449 4.226 0 40 FIAB O=C(Nc1nc2c(s1)CCC2)c1cc(-c2ccc(Cl)s2)on1 95350260 FQDATUIGDRSJRL-UHFFFAOYSA-N 351.840 4.254 0 40 FIAB CC(C)(C)c1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O)cc1 95633991 QQHABTGFZPYZBD-UHFFFAOYSA-N 356.262 4.157 0 40 FIAB COc1ccc(-c2nc(COC(=O)c3c[nH]c4ccc(F)cc34)co2)cc1 95966986 QPNSJVZPNBBSGG-UHFFFAOYSA-N 366.348 4.328 0 40 FIAB O=C(c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1)N1CCCC1 96155428 VTAXQSDIGCBHNC-UHFFFAOYSA-N 374.419 4.167 0 40 FIAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100621788 GYMULKBMDCZDSX-YSZBQJHXSA-N 360.501 4.300 0 40 FIAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 101277161 RBIMQSNCEOQVIR-MRXNPFEDSA-N 363.244 4.354 0 40 FIAB COc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3cnnc3N2)cc1OC 101618736 XKIPTISEZUPGTF-MRXNPFEDSA-N 368.824 4.005 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\Nc3cccnc3)c3ccccc3C2=O)cc1C 103004856 RLXQQUVKGQVHHZ-STZFKDTASA-N 369.424 4.338 0 40 FIAB Cc1ccc(-c2nc(CC(=O)N3CCCC[C@@H]3c3cccn3C)cs2)o1 173562324 TWLGXENTQJIZOK-QGZVFWFLSA-N 369.490 4.346 0 40 FIAB CCCCOCc1cc(C(=O)Nc2ccccc2C(=O)OC)ccc1OC 224439502 KFNBZFPEQNOSAX-UHFFFAOYSA-N 371.433 4.051 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 225730618 GHQZITJQIQSHEA-IRXDYDNUSA-N 363.571 4.128 0 40 FIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225842005 JJUBRNPQWOTYCJ-HXUWFJFHSA-N 365.470 4.184 0 40 FIAB Cc1nccnc1[C@@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257314088 UVFWMOVLZAMWBD-SFHVURJKSA-N 363.417 4.080 0 40 FIAB O=C(NC[C@@H]1COc2ccccc21)NC(c1ccccc1)c1ccccc1 584637980 IGDWOORUXCRPOD-LJQANCHMSA-N 358.441 4.251 0 40 FIAB COc1cc(-c2noc(CN3CC(C)(C)[C@@H]3c3cccnc3)n2)ccc1C 664822943 KTWGFLNSCWRUDL-IBGZPJMESA-N 364.449 4.032 0 40 FIAB O=C(c1ncc(Cc2ccccc2)o1)N1CCC(Cc2ccccc2)CC1 1328614916 IPSZFFPJDKLTIN-UHFFFAOYSA-N 360.457 4.360 0 40 FIAB Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2[nH]c3ccc(C)cc3c2Cl)cc1 1332467478 ZVGNANBZHIVQBC-DJJJIMSYSA-N 356.853 4.290 0 40 FIAB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N[C@@H]1CCOC12CCCCC2 1669872017 DYHXRCPKGHGGCT-ZMYBRWDISA-N 360.473 4.240 0 40 FIAB CCCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2 781957 IHENTZGIZQRQHX-UHFFFAOYSA-N 359.809 4.081 0 40 FIAB Cc1nnc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C)s1 902932 PIOSVXXGDKJMRB-UHFFFAOYSA-N 358.492 4.051 0 40 FIAB CC(=O)N1c2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc2C[C@@H]1C 1365625 IRIACFXCWXQJHX-NSHDSACASA-N 357.479 4.092 0 40 FIAB CC[C@@H](C)OC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2434976 JWKMITUSPXSZFD-CYBMUJFWSA-N 354.454 4.168 0 40 FIAB COc1ccc(NC(=O)CSc2nccn2-c2cccc(C)c2C)cc1 2723053 PYUAIZLKKFDXRF-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB CCN(C(=O)COC(=O)c1cc(C)oc1C)c1cccc2ccccc12 3254538 IBCNHBATHUZXJC-UHFFFAOYSA-N 351.402 4.260 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1 3360710 IQAGJLHLEUBSJB-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB CC(C)n1cnnc1SCC(=O)Nc1ccccc1Cc1ccccc1 3385841 XQXVXEGWVLBMJN-UHFFFAOYSA-N 366.490 4.181 0 40 FIAB Cc1csc(NC(=O)CCCOc2cccc(Br)c2)n1 3561989 FXUNZNMNZZWPQX-UHFFFAOYSA-N 355.257 4.012 0 40 FIAB O=C(Cc1ccccc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 4088755 OQDWJIVWBDVPGH-UHFFFAOYSA-N 369.877 4.454 0 40 FIAB COc1cccc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)c1 4433414 LVRSPAKSDNGZGK-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1C(=O)O 4978007 OKFVCWAYHJMQFA-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB COC(=O)c1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 5066460 UWOSGAUGCSPPTF-UHFFFAOYSA-N 357.369 4.271 0 40 FIAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1C(F)(F)F 5154029 CYVBSGVBFVZJDQ-UHFFFAOYSA-N 374.362 4.183 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)c(C)c2)c1 5359699 YVBKGVDACIXALB-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C 5462107 DCSNKNWJADMRKD-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB COc1cc(C)c(NC(=O)c2cccc(Br)c2)cc1OC 5616792 OIQQSFRFXBDGMA-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 6057494 DSLHNRMJMIUQBZ-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCCCc1ccc(NC(=S)N2CCN(c3cccc(O)c3)CC2)cc1 6390484 AKKOXPPIZIISCP-UHFFFAOYSA-N 369.534 4.254 0 40 FIAB Cc1ccc2nc(CNc3cccc(-c4csc(C)n4)c3)cc(=O)n2c1 6589099 PMMNPJLZTRNMGU-UHFFFAOYSA-N 362.458 4.047 0 40 FIAB CCc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 6657601 MCHPWGOAZKVVQR-SFHVURJKSA-N 353.491 4.350 0 40 FIAB CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl 6752626 FHNIBOKZCPIQIA-UHFFFAOYSA-N 355.869 4.053 0 40 FIAB COCc1c(C(=O)Oc2ccc3c(c2)OCO3)sc2cccc(F)c12 6789082 NFSDEDLCGZAQOD-UHFFFAOYSA-N 360.362 4.135 0 40 FIAB COc1cc(C(=O)N[C@@H]2CCSc3ccccc32)cc(Cl)c1OC 6852210 GEONCPAFWPINHR-CQSZACIVSA-N 363.866 4.324 0 40 FIAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1cc(Cl)ccc1Cl 6886575 LJKKYIWAAQXSPD-UHFFFAOYSA-N 368.216 4.222 0 40 FIAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccccc1 7252375 FMISIUVMMRXSRW-UHFFFAOYSA-N 374.263 4.209 0 40 FIAB CCOc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 7483995 IIWWSYQMYZYHJA-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc2c(s1)CCCCC2 7490985 NJMLPQIVZBDCHD-UHFFFAOYSA-N 368.502 4.074 0 40 FIAB COc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)cc1Cl 7956006 GEDGGARENRBPBU-UHFFFAOYSA-N 363.889 4.389 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C)c3)C(=O)[C@@H]2C1 8472898 YEZFKJKHGSBXGJ-IEBWSBKVSA-N 374.440 4.093 0 40 FIAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)C(C)C 9064081 AIWMLHXLJOPNJV-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1cc2ccccc2o1 9218093 LYIGKWGLFICAKX-HNAYVOBHSA-N 365.429 4.482 0 40 FIAB COc1ccc(OC)c(NC(=O)c2sc3nc(C)cc(C)c3c2C)c1 9338558 FYTRRBJWDNJLNK-UHFFFAOYSA-N 356.447 4.491 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1cccs1)N(CCc1c[nH]c3ccccc13)C2=O 9421625 JSHZAJHDWRVZGK-LJQANCHMSA-N 362.458 4.049 0 40 FIAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3cccs3)c(=O)c12 9581627 QWANBNSWPJANRP-UHFFFAOYSA-N 366.467 4.378 0 40 FIAB CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCC(C(=O)NC)CC2)C(C)C)cc1 9795210 TWYVHEPPFUUAPY-UZLBHIALSA-N 373.541 4.065 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2NC1=O 9895804 HRROLOBTSCXHFC-GUYCJALGSA-N 352.459 4.097 0 40 FIAB COc1cccc2c1N(C(=O)CSc1ccccn1)C(C)(C)C=C2C 9938262 ZJAPUFGGCUYNAE-UHFFFAOYSA-N 354.475 4.411 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3ccncc3)cc(-c3cccs3)nc21 10628045 MQIKMARCKAFBNH-UHFFFAOYSA-N 363.446 4.388 0 40 FIAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NCc1cccs1 10846833 KRYMXSLBPCMUGP-LLVKDONJSA-N 362.451 4.339 0 40 FIAB CC[C@@H](C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccccc1 12115015 UEEUZEVBQVDJBV-APWZRJJASA-N 369.415 4.098 0 40 FIAB CN(C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccccc1 12177746 OKFSRXYKOLFOGK-UHFFFAOYSA-N 359.838 4.145 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(/C=C/c3cccnc3)nn12 12323104 GZYHHBHFSRMUEG-QPJJXVBHSA-N 369.837 4.080 0 40 FIAB COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1OC(C)C 12344666 VOQDUIPTXKFWMW-UHFFFAOYSA-N 369.505 4.274 0 40 FIAB CCCOc1c(CN2CCC(O)(c3ccc(C)cc3)CC2)cccc1OC 12344804 AXSZZASXKWUGAF-UHFFFAOYSA-N 369.505 4.276 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NCCc4cn5c(n4)CCCC5)c23)C1 12520262 OZEMUMITKJWCAD-ZDUSSCGKSA-N 367.522 4.004 0 40 FIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c1C 12535997 YBXDGSCFPKFOCJ-UHFFFAOYSA-N 372.490 4.070 0 40 FIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3cccnc3)[C@H]1[C@H]2C 12659788 BPMYDYKKXHFZDO-JZYLZAGLSA-N 358.482 4.122 0 40 FIAB biogenic Cc1cc(CNC(=O)c2sc(NC(=O)c3ccco3)cc2C)ccc1F 12867464 GOPYSGGZNHGBOR-UHFFFAOYSA-N 372.421 4.279 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1 12980642 DYZBXLRKCZSYDK-SFHVURJKSA-N 367.449 4.287 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)c(OC)c1 14066597 WICFVIMFYLGACA-HNNXBMFYSA-N 371.462 4.152 0 40 FIAB Cc1cccc(C(=O)NC[C@@H](C)c2ccccc2)c1NC(=O)c1ccco1 14241065 MPPLTJXIUXWSQA-MRXNPFEDSA-N 362.429 4.374 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 14713307 LBGJWPUFGBOYPA-LBPRGKRZSA-N 365.433 4.298 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)c1ccccn1 15833105 ZBPAPZSEWICYBI-UHFFFAOYSA-N 374.371 4.174 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2ccncc2)cc1OC 19561436 AINVUQRLJAEZAP-GPHNJDIKSA-N 352.478 4.161 0 40 FIAB COc1ccc2[nH]cc([C@@H]3CCC[C@H](NC(=O)c4c(C)noc4C)C3)c2c1 19580301 AXXFUDJBYNCBKX-CABCVRRESA-N 367.449 4.238 0 40 FIAB COc1cccc(-c2cc(C(F)(F)F)nc(-n3ccnc3SC)n2)c1 20274519 AFOOTXNHSXGDHD-UHFFFAOYSA-N 366.368 4.079 0 40 FIAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1cc2ccccc2o1 23951984 YZELCPSWSNIZBG-FZKQIMNGSA-N 370.474 4.126 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2cccc(C)c2)c1 24040429 IBFQFNZSHJBYED-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3F)n2)cc1 24968921 ZJEZMZQNCAGRRN-AWEZNQCLSA-N 367.424 4.248 0 40 FIAB CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27989241 LMYVQRAZTQQLDG-SFHVURJKSA-N 372.534 4.494 0 40 FIAB CC(C)COc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1 28580815 PBJPULSVOYUNKF-UHFFFAOYSA-N 355.463 4.280 0 40 FIAB Cc1noc2ncc(C(=O)NCC(C)(c3ccccc3)c3ccccc3)cc12 30947708 JLHCYQHXDNWOSR-UHFFFAOYSA-N 371.440 4.267 0 40 FIAB Cc1nc2c(-c3cccs3)nc(=O)n([C@@H](C)c3ccccc3)c2s1 32616353 ILTSADJDYVZGSG-NSHDSACASA-N 353.472 4.499 0 40 FIAB CC(C)c1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1 32664956 AADKAFKIVUASIG-HZPDHXFCSA-N 359.514 4.008 0 40 FIAB O=C(O)C/C(=C/c1ccc(-n2ccnc2)cc1)c1nc2ccccc2s1 32717086 LECZWVOPJSCEDP-PTNGSMBKSA-N 361.426 4.497 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC[C@@H](c1ccccc1)N1CCCC1 32732201 UMCMYPJKIQWFMS-QHCPKHFHSA-N 358.485 4.336 0 40 FIAB Cc1nc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2nc1C 32740848 IIISSYKEESVSEX-UHFFFAOYSA-N 363.417 4.064 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 32879753 JJYFOCTWSNUDIS-KRWDZBQOSA-N 373.500 4.325 0 40 FIAB C[C@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccco3)c2c(=O)[nH]1 40388455 IVTNJCQDXVVDOI-VFNNOXKTSA-N 370.412 4.164 0 40 FIAB CC(C)(C)c1nnc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)o1 42569275 KHQHQWVLSNPOOR-OAHLLOKOSA-N 359.495 4.213 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2ccccc2Cl)ccc1Cl 44885858 JWVIWBOOBXZIDN-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccc(F)c1)SCC(O)=N2 44919170 WQYMPFOMPOVRLO-QGZVFWFLSA-N 354.410 4.139 0 40 FIAB COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)c1 47711493 HZRUIMYHWKVCLZ-LBPRGKRZSA-N 353.378 4.494 0 40 FIAB CCC(=O)Nc1cccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1 48273646 ROIWHBHTEIOWCO-UHFFFAOYSA-N 362.433 4.090 0 40 FIAB O=C(CCc1ccccc1O)N1CCC[C@@H]1c1cccc(Br)c1 48369160 LITOPFRXLGWNTD-QGZVFWFLSA-N 374.278 4.451 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2ncccc2-c2nc(C)no2)c(C)c1 49406969 XDSUOLWDNDSMPZ-UHFFFAOYSA-N 368.462 4.096 0 40 FIAB COC(=O)c1ccc(-c2nc(CSc3nnc(C)s3)cs2)cc1 50246934 SKIFKCXWOPKMQL-UHFFFAOYSA-N 363.489 4.049 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NCc4ccc(CO)c(F)c4)c23)C1 65490866 PNYZLDRTEXRPMC-LLVKDONJSA-N 357.454 4.060 0 40 FIAB Cc1nccn1-c1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1F 65797262 OXMCRASROXHZOW-UHFFFAOYSA-N 352.413 4.325 0 40 FIAB c1ccc(OCCCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 72369839 UDJLTHMOZQFLQS-LJQANCHMSA-N 363.461 4.385 0 40 FIAB Cc1cccc2c1N(C(=O)CCCc1nnc(-c3ccccc3)o1)CCC2 75884219 BPADRNNGDARJRJ-UHFFFAOYSA-N 361.445 4.347 0 40 FIAB CCc1cnc(CCNC(=O)c2cnoc2-c2ccc(Cl)s2)s1 89289655 VQWWONJWCKYOBF-UHFFFAOYSA-N 367.883 4.048 0 40 FIAB CCC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)c(OC)c1 89941545 ANLHLCGKDTUSPR-SFHVURJKSA-N 352.434 4.100 0 40 FIAB CC(=O)OCCCc1cccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c1 95945448 RJLCELVZHVDWJX-UHFFFAOYSA-N 374.525 4.021 0 40 FIAB CC(C)n1cnnc1CCNc1ncnc2scc(-c3ccccc3)c12 95960344 PFDRPHQXQNBEJM-UHFFFAOYSA-N 364.478 4.185 0 40 FIAB COc1ccc(-c2nc(NC(=O)C(C)(C)c3cccnc3)sc2C)cc1 95983135 QUOCPWMRZSKVPZ-UHFFFAOYSA-N 367.474 4.438 0 40 FIAB CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ccccn3)CC2)cc1 96102837 MKDYKGMJFKLRHO-UHFFFAOYSA-N 370.518 4.195 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(C)cc1 218973630 NHTWMUDPVSPWON-KXBFYZLASA-N 369.461 4.190 0 40 FIAB Cc1ccc(N2CCC(C(=O)NCCSC3CCCCC3)CC2)cc1 219854215 JRFIZNPMCWTCLN-UHFFFAOYSA-N 360.567 4.394 0 40 FIAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224948914 VMBBCNWQVJAPOR-UHFFFAOYSA-N 353.871 4.126 0 40 FIAB CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224982849 JHOPWFPRGPLGET-UHFFFAOYSA-N 371.911 4.286 0 40 FIAB COc1ccc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc2c1 225383975 PPMRFRWFFDVWKA-UHFFFAOYSA-N 365.813 4.442 0 40 FIAB CC[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(OC)cc1 225618222 UCBIZOVCFQTLMX-QGZVFWFLSA-N 362.267 4.268 0 40 FIAB Nc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1 226267056 AAHRDKMOQWROKK-UHFFFAOYSA-N 350.249 4.428 0 40 FIAB CCCC(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226352078 XWOYHYKJLHAPPS-UHFFFAOYSA-N 352.184 4.146 0 40 FIAB Cc1cc2nnn(C(=O)CSc3ccc(Cl)cc3)c2cc1Cl 226359690 LLSLHVUAAGCYAL-UHFFFAOYSA-N 352.246 4.479 0 40 FIAB NC1=N[C@H]([C@@H](O)c2ccccc2)[C@H](c2ccc(Cc3ccccc3)cc2)S1 253578320 YERVHPOPRCNVGW-FSSWDIPSSA-N 374.509 4.482 0 40 FIAB Cc1cccc(C)c1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408709017 OBMZMNWNGOYIFK-UHFFFAOYSA-N 372.468 4.190 0 40 FIAB O=C(O)c1conc1[C@@H](O[C@H]1CCCCO1)c1ccc(C(F)(F)F)cc1 504028134 AWNLIDOSPILLRX-ZFWWWQNUSA-N 371.311 4.024 0 40 FIAB COc1ccc(CCNC(=O)N[C@@H](C)Cc2csc3ccccc23)cc1 575622187 XJQZRUIHFPRSIU-HNNXBMFYSA-N 368.502 4.383 0 40 FIAB O=C(C[C@H]1C=CCC1)N1CCC(c2cccc(Nc3nccs3)n2)CC1 585262683 SIBQBEWSAPKKRM-HNNXBMFYSA-N 368.506 4.344 0 40 FIAB COc1ccc(-c2nc([C@H]3NC(C)(C)C(=O)N3CC(C)(C)C)cs2)cc1 639426898 XGNUYGGLVPFCAO-INIZCTEOSA-N 373.522 4.074 0 40 FIAB FC(F)Oc1ccc(CN2CC[C@]3(C2)CC3(F)F)cc1Br 652063702 SLNAPOOKQRXEKJ-CYBMUJFWSA-N 368.168 4.282 0 40 FIAB Cc1cccc(CN2CCCC[C@@H]2c2csc(Nc3cnccn3)n2)n1 1615526284 OOKKAZJRCQEGIB-QGZVFWFLSA-N 366.494 4.107 0 40 FIAB COc1ccc(C(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 663649 VNMKCSPZHMZDBT-UHFFFAOYSA-N 352.459 4.387 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)o2)cc1 856421 KYEZQJGOWUUCKF-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CCOC(=O)c1s/c(=N\c2ccccc2)n(Cc2ccccc2)c1C 1466343 JMAKIIJBNACOGY-MRCUWXFGSA-N 352.459 4.315 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 2368866 LYSBXNWHQJCFHP-UHFFFAOYSA-N 371.396 4.421 0 40 FIAB O=C(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)Oc1ccc(F)cc1 3117018 CRYKMXAFGPFRCB-UHFFFAOYSA-N 365.229 4.335 0 40 FIAB Cc1ccc(SCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 3449228 CBHGONRBMAEQKS-UHFFFAOYSA-N 355.484 4.449 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 3465970 ASLFFNCFUZRMAP-UHFFFAOYSA-N 355.463 4.294 0 40 FIAB COc1cccc2c1O[C@@]1(C)[C@H](C)[C@@H]2NC(=S)N1c1c(C)cccc1C 3906882 XCSDDJUXFMVBBW-FNXXIHLHSA-N 368.502 4.493 0 40 FIAB Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccccc1)N2 4690409 RBZZMEDGXWFIBU-GJZGRUSLSA-N 360.248 4.313 0 40 FIAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1ccc(-c2ccccc2)cc1 5153410 ZSZBJFJDKTWFRD-UHFFFAOYSA-N 368.436 4.441 0 40 FIAB CCc1ccccc1NC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 5269985 UFSAIILCPAIVJP-UHFFFAOYSA-N 360.457 4.328 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 5697686 LGEUWAMORQYQHM-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB C[C@@H]1CCc2c(sc3nc([C@@H](C)N4CCc5ccccc54)[nH]c(=O)c23)C1 7503665 XNAFKHQBGHZMBF-CHWSQXEVSA-N 365.502 4.233 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1cc(Cl)cc(Cl)c1 7709464 QNMQYTLASPEQJH-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB C[C@@H](Sc1ccccn1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 8747386 IKDYBIWDOHFXPJ-SNVBAGLBSA-N 355.444 4.493 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 9063114 OGMUBAJODGZHKK-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB O=C(CN1CCc2ccccc21)Nc1nc(-c2ccc(F)c(F)c2)cs1 9111984 YDIZXQUTBDDCIV-UHFFFAOYSA-N 371.412 4.090 0 40 FIAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)cc1 9318030 NZRQTOXEZZKBRY-CQSZACIVSA-N 353.809 4.219 0 40 FIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)ccc1F 10985598 RNFSYPCOKCOWMP-UHFFFAOYSA-N 359.401 4.427 0 40 FIAB COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CCCC2)cc1 12292759 VLPKMCDAUWXTGO-UHFFFAOYSA-N 364.489 4.381 0 40 FIAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 12507026 DREHAQURWBOJMT-UHFFFAOYSA-N 372.428 4.238 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 12787190 MQUJJIDPHTWSQI-RYUDHWBXSA-N 369.412 4.364 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1 12818639 XGVBRMKLWSZPQJ-UHFFFAOYSA-N 354.353 4.191 0 40 FIAB CC(C)COc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 12989774 CDUBLPYHEVDQTP-UHFFFAOYSA-N 352.434 4.101 0 40 FIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc2ccccc2oc1=O 14167505 MPTYSFLPWDBEKH-UHFFFAOYSA-N 351.446 4.081 0 40 FIAB CC[C@H](C)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 14632506 WJMBJZGTUSCZQK-JQFCIGGWSA-N 363.454 4.042 0 40 FIAB Cc1cc(OC(=O)c2cccc(S(C)(=O)=O)c2)c(C(C)C)cc1Cl 14785433 IORWOAQTZYYCPT-UHFFFAOYSA-N 366.866 4.395 0 40 FIAB COc1ccc(NC(=O)[C@@H](N[C@@H](C)C2CC2)c2ccccc2)cc1Cl 15504400 IQGAIIHSUQCELO-DJJJIMSYSA-N 358.869 4.417 0 40 FIAB O=C(CSc1ccc2c(c1)CCC2)NCCc1c[nH]c2ccccc12 15514846 XLZZNHWNLKBYBC-UHFFFAOYSA-N 350.487 4.108 0 40 FIAB Cc1ccc2c(CC(=O)N(C)Cc3ccc4c(c3)OCCO4)coc2c1C 15620300 HMULDPPQYUIGDA-UHFFFAOYSA-N 365.429 4.022 0 40 FIAB O=C(Nc1nnc(-c2cccnc2)s1)c1ccc(Cl)cc1Cl 17206818 LLXMQODXALDHRK-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB Cc1ccc(CCC(=O)N2CCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)o1 19216396 ZVLAZGSHDVEAQA-IBGZPJMESA-N 351.450 4.377 0 40 FIAB O=C(CCC1CCCC1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19406797 GCQJZKKEIDNIPX-UHFFFAOYSA-N 359.495 4.475 0 40 FIAB Cc1sc(NC(=O)Cn2ccnc2C(C)C)nc1-c1ccc(F)cc1 19555583 XHKUWBMRMARYEW-UHFFFAOYSA-N 358.442 4.216 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC 20458577 IXUGBMCXOZMFOV-KGLIPLIRSA-N 357.475 4.162 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1ccc(F)cc1 23142337 CJAIUJNDVLQAAO-LLVKDONJSA-N 372.223 4.095 0 40 FIAB Cc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)cc1 26894609 DQRPXIQJPSCWTE-SJORKVTESA-N 369.266 4.495 0 40 FIAB CCc1cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)sc1C 27032932 YZDSKXIORDFWLZ-INIZCTEOSA-N 356.491 4.110 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@H](c1cccs1)N1CCCC1 27582251 GEKXVCFBODHPLO-HXUWFJFHSA-N 364.514 4.397 0 40 FIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 27922471 BIARWPFBBFYTCK-WOJBJXKFSA-N 363.436 4.430 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 28292209 IRYQTSQAJUDMTF-SFHVURJKSA-N 363.461 4.263 0 40 FIAB O=C1C[C@H](C(=O)N[C@H](c2cccs2)C2CCCC2)c2ccccc2N1 31803833 GCNAFNIASKYLCI-KXBFYZLASA-N 354.475 4.222 0 40 FIAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1cc(F)ccc1F 32610597 UEQARYNQRYXPQY-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1sc2ccccc2c1Cl 32758098 ATAQRYIYILIOBL-AWEZNQCLSA-N 370.861 4.218 0 40 FIAB Cc1ccccc1CNC(=O)c1c(Br)c2ccccc2n1C 32915804 SQNMMMUAERVWNX-UHFFFAOYSA-N 357.251 4.179 0 40 FIAB CN1CCC(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)CC1 36613782 IFGQMWZZLJPIJA-UHFFFAOYSA-N 370.806 4.322 0 40 FIAB COC(=O)c1cc(-c2ccc(C)cc2)nc2cc(-c3ccc(F)cc3)nn12 36615697 KDOBXFDFCJAOJX-UHFFFAOYSA-N 361.376 4.297 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)s1 39989150 ZHALVOOTLWIOBB-GFCCVEGCSA-N 351.497 4.063 0 40 FIAB Cc1cc2nc(Sc3nnc(C)n3-c3ccccc3)c3ccccc3n2n1 40071541 VAOYVPUZIZIQJZ-UHFFFAOYSA-N 372.457 4.231 0 40 FIAB CC(=O)NC1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CCCCC1 40151203 PGTZFXMYNOXGKV-UHFFFAOYSA-N 352.434 4.256 0 40 FIAB O=C(CCSCc1ccccc1)NCc1ccc(CN2CCCC2)cc1 44872505 FTBUWNMPWOMTDR-UHFFFAOYSA-N 368.546 4.222 0 40 FIAB CCOC(=O)c1c(NCc2ccc(CC)cc2)c2cc(F)ccc2[nH]c1=O 49001428 VNULOSUTLZNNDN-UHFFFAOYSA-N 368.408 4.018 0 40 FIAB Cn1c2c(sc1=O)[C@@H](c1ccccc1Cl)CC(=O)N2c1ccccc1 49545655 UHQANRIQHLYUEJ-CQSZACIVSA-N 370.861 4.301 0 40 FIAB O=C(NCCCOC1CCCCC1)NCCc1ccc(C(F)(F)F)cc1 58792623 KWQCSIRRCGKJLC-UHFFFAOYSA-N 372.431 4.287 0 40 FIAB Cc1ccc2c(C(=O)COc3ccc4ccc(=O)oc4c3)c(C)n(C)c2c1 61720134 JQYBONBGMBDKCD-UHFFFAOYSA-N 361.397 4.163 0 40 FIAB biogenic CCN(C(=O)c1cccc(N2CCOC2=O)c1)c1cccc2ccccc12 71919233 MXPCAGITLGELDF-UHFFFAOYSA-N 360.413 4.463 0 40 FIAB COc1ccc(-c2csc(CNC(=O)c3ccc(Cl)cc3)n2)cc1 72264954 BZYJKTOTUSKGFS-UHFFFAOYSA-N 358.850 4.402 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccco1 75106800 CSXPHXYIORGQMY-GOSISDBHSA-N 371.868 4.097 0 40 FIAB CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H](CCO)c1ccccc1 83843869 JAASJZRVUBJCGX-KRWDZBQOSA-N 352.261 4.118 0 40 FIAB Cc1ccc(NC(=O)c2csc(-c3cnccn3)n2)cc1C(F)(F)F 84177627 YSAZRMURVLYKLM-UHFFFAOYSA-N 364.352 4.180 0 40 FIAB CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 103718220 VULUOVDANYOZSP-QGZVFWFLSA-N 366.461 4.084 0 40 FIAB CCOC(=O)c1c(NC(=O)Cn2ccc3ccccc32)sc(C)c1C 108014352 SEFBWMUGDGIPFU-UHFFFAOYSA-N 356.447 4.135 0 40 FIAB Cc1cc(C)cc(CSCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 222655898 MIHFYURMWKKDLP-MRXNPFEDSA-N 371.502 4.185 0 40 FIAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C(C)C)c1 223836435 BDPHHRSLYWFRRU-UHFFFAOYSA-N 361.463 4.014 0 40 FIAB O=C(NCCCc1cccc2ccccc12)c1ccc(Cn2ccnc2)cc1 224409274 DKCXNFPFRJURPM-UHFFFAOYSA-N 369.468 4.447 0 40 FIAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1C(=O)OCC 225796595 ULAJTKOTEIWZQV-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB C[C@@H](NC(=O)c1ncccc1-c1cccc(CN(C)C)c1)c1ccccc1 257265179 LXQDWTVGPAWYGR-QGZVFWFLSA-N 359.473 4.301 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@]2(C)NCCC[C@@H]12 257282366 OTLXRPXSXJDSDV-UZLBHIALSA-N 373.497 4.004 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(Cl)cc1Cl 408706445 VNRMPPMVOREUFR-QGZVFWFLSA-N 368.260 4.476 0 40 FIAB CCOC(=O)N[C@@H](CC(=O)Nc1cccc(C)c1Cl)c1ccccc1 408976409 ATGQUTHMHWJRQC-INIZCTEOSA-N 360.841 4.464 0 40 FIAB O=C(CCNC(=O)Oc1ccccc1)Nc1ccc(-c2ccccc2)cc1 409001585 JGHOUSAIGAFGHR-UHFFFAOYSA-N 360.413 4.471 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3C)o2)cc1 409159492 MWTRDVZLBGSGQV-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB Cc1ccc(OC[C@H](C)N=c2nc(-c3ccncc3)[nH]c3ccccc23)cc1 1306948366 HUHOQFVNJZRWCQ-KRWDZBQOSA-N 370.456 4.302 0 40 FIAB CC(=O)N[C@@]1(C)C[C@H](c2cc(Cl)ccc2O)O[C@@H]2C[C@H](C)CC[C@H]21 2037844590 YOVFSPYVFCLMNQ-GQCSGYJFSA-N 351.874 4.207 0 40 FIAB CC1CCN(C(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1 819317 BZUNDJMRMNDXIB-UHFFFAOYSA-N 369.336 4.464 0 40 FIAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1cccc(Cl)c1 930690 UQGKKNNTLFTNRZ-UHFFFAOYSA-N 369.852 4.009 0 40 FIAB C[C@H]1CCCN(C2=C(Cl)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)C1 956202 LOQZLNUFYOGRFD-VIFPVBQESA-N 373.667 4.049 0 40 FIAB Cc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)CCCCC4 1248602 UIDWTQPWCKLUJM-UHFFFAOYSA-N 364.474 4.495 0 40 FIAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1Cl 1404596 HVURYDBHOWUOQU-UHFFFAOYSA-N 358.246 4.039 0 40 FIAB CC[C@H](C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O 2110767 GBOBWLUFIBYMHX-YOEHRIQHSA-N 365.477 4.497 0 40 FIAB biogenic Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1F 2348918 UDNRMNYNWHXJGX-UHFFFAOYSA-N 369.252 4.397 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(Cc1ccco1)C3=O 2425499 HKOYVMOCMKKZRO-FQEVSTJZSA-N 371.392 4.440 0 40 FIAB O=C(CSc1ccc(Br)cc1)N1CCc2ccccc2C1 3264275 LOTDDPZLFUDBEI-UHFFFAOYSA-N 362.292 4.126 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1ccc(I)cc1 3560144 KPONYCXEUQPGCP-UHFFFAOYSA-N 371.605 4.126 0 40 FIAB O=C(Nc1ccccc1)c1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1 4394761 SSZRJNKTFUEDKA-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(OC)cc3)o2)cc1 4475295 BUGQYDCITFDZOX-LBPRGKRZSA-N 370.430 4.117 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)CCSc3ccccc3)o2)c(C)c1 4479475 PWOLEVQUEDPMEV-UHFFFAOYSA-N 353.447 4.474 0 40 FIAB CCc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)NCCCOC)c2c1 4610421 NVBKMTZSMVXXRK-UHFFFAOYSA-N 366.436 4.370 0 40 FIAB COc1cc(CNC[C@H]2CCCO2)ccc1OCc1cccc(Cl)c1 5019823 VHZAOPIREUQQHQ-GOSISDBHSA-N 361.869 4.196 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1 5136374 LNIGXGXCTAXZSW-UHFFFAOYSA-N 366.461 4.273 0 40 FIAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](CC)C3)cc1 5476600 NVUQMRDZUHXPLY-GFCCVEGCSA-N 372.490 4.013 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 6049478 DFVOTBNFIWTOAG-LPHOPBHVSA-N 367.445 4.331 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 6288808 FPRSVKQIJMLGTD-UHFFFAOYSA-N 371.742 4.311 0 40 FIAB CCCC[C@@](CC)(CCCNC(=O)c1ccco1)CNC(=O)c1ccco1 6635875 SLMFTUUOTKANSG-NRFANRHFSA-N 374.481 4.399 0 40 FIAB CCSc1nnc(NC(=O)C2c3ccccc3-c3ccccc32)s1 7718199 VQMLIKOYKRZAGT-UHFFFAOYSA-N 353.472 4.401 0 40 FIAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1F 7909561 VDVQHJGVMBCLMF-INIZCTEOSA-N 373.428 4.350 0 40 FIAB c1coc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)c1 8201400 DCAIZYZITKTFPQ-UHFFFAOYSA-N 366.446 4.319 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 8218203 AOHBYWCHUHULBU-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB O=C(O)c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1 8811438 WDVQMDHRNJYMOR-WSDLNYQXSA-N 354.793 4.422 0 40 FIAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1C 9074595 YEJAPRLHZMEOKF-UHFFFAOYSA-N 370.460 4.435 0 40 FIAB CCCCCn1c(SCC(=O)NCc2ccco2)nc2ccccc21 11487800 ZANBNUVHIBXDHG-UHFFFAOYSA-N 357.479 4.228 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 11709504 SWYDDYPSNCSNJI-CVEARBPZSA-N 353.462 4.219 0 40 FIAB Cc1cc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)ccc1Cl 13367779 FLCIUJWLUDAWQI-UHFFFAOYSA-N 360.866 4.176 0 40 FIAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(CC(C)C)C3 13721890 KYSQSZJTDMXXTM-UHFFFAOYSA-N 365.429 4.277 0 40 FIAB CCOc1ncccc1C(=O)N(Cc1cccs1)c1ccc(OC)cc1 14237762 GSVISSZMNPAISR-UHFFFAOYSA-N 368.458 4.397 0 40 FIAB O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 14373246 OJDNMJBWEWXLJN-OAHLLOKOSA-N 364.832 4.485 0 40 FIAB O=C(Nc1ccc(Br)cc1Cl)[C@@H]1Cc2ccccc2O1 15608053 KZPZQBSPJMANRX-AWEZNQCLSA-N 352.615 4.045 0 40 FIAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccco4)nc32)cc1 15842274 NHQGFQRDXIRIAY-UHFFFAOYSA-N 373.416 4.344 0 40 FIAB CSc1nc2ccc(NC(=O)c3cccnc3N3CCCC3)cc2s1 18118258 FEDBLHPIAYXVAW-UHFFFAOYSA-N 370.503 4.266 0 40 FIAB c1ccc(CN2[C@H]3CC[C@@H]2c2cnc4cc(-c5ccco5)nn4c2C3)cc1 19371573 JXNHBDYPLYRYKG-QFBILLFUSA-N 356.429 4.251 0 40 FIAB O=C(CCc1ccncc1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 19375823 DKBJLVKGFYOVKL-UHFFFAOYSA-N 370.456 4.314 0 40 FIAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 19497917 ANRKFIWIWGDAPL-HZPDHXFCSA-N 369.436 4.080 0 40 FIAB C[C@H](NC(=O)c1cccnc1SCC(F)(F)F)c1ccccc1F 22884614 UIXPVTSLBLNVIP-JTQLQIEISA-N 358.360 4.366 0 40 FIAB CC(C)[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)c1cccs1 24318459 YPKZRPDVBFXVER-HNNXBMFYSA-N 351.855 4.300 0 40 FIAB CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccc(C)cc3)oc12 24992061 KYWBJEOGRSLMRU-CQSZACIVSA-N 359.447 4.179 0 40 FIAB COc1c(S(=O)(=O)N[C@H](C)c2ccccc2)ccc(Cl)c1Cl 27588460 HNFVFOVBLHOHQM-SNVBAGLBSA-N 360.262 4.042 0 40 FIAB Cc1ccc2nc(NC(=O)[C@@H]3CCCN3Cc3ccccc3)sc2c1 28233439 JCSGNJOLCJJHHW-KRWDZBQOSA-N 351.475 4.208 0 40 FIAB O=C(NCCc1csc(-c2ccccn2)n1)Nc1cccc(Cl)c1 31773206 DYTCLXKHTWWVFO-UHFFFAOYSA-N 358.854 4.223 0 40 FIAB CCCCC(=O)NC(=S)/N=c1/[nH]c2c(Cl)c(Cl)ccc2s1 32127396 PNAZXUXGUMHZNQ-UHFFFAOYSA-N 362.307 4.028 0 40 FIAB COc1ccc(OCCSc2nc(N)c3c(C)c(C)sc3n2)cc1 32776946 QXKFARUTXVKFLX-UHFFFAOYSA-N 361.492 4.070 0 40 FIAB Cc1cc(C(=O)COc2ccc(N3CCCC3=O)cc2)c(C)n1C(C)C 32888545 KFXNMPYXZVITFD-UHFFFAOYSA-N 354.450 4.074 0 40 FIAB O=C(CCNC(=O)c1cccs1)N[C@H](c1ccc(F)cc1)C1CCCC1 40117442 SIDQWCPXJYNLIH-IBGZPJMESA-N 374.481 4.055 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N2CCCCc3ccccc32)cc1 40133990 WAXMFDQVUQXILG-UHFFFAOYSA-N 354.475 4.107 0 40 FIAB Cc1cc(C)c2nc(NC(=O)[C@H]3CCCN(c4ccccn4)C3)sc2c1 40150747 FNLMYTGIEZTNDQ-HNNXBMFYSA-N 366.490 4.163 0 40 FIAB COc1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)cc1OC(F)F 43995602 GRINLHZLMOPYAA-ZDUSSCGKSA-N 364.392 4.439 0 40 FIAB O=C(c1cccc(I)c1)c1cnc2ccccc2c1 45028941 OCIBNRXXKUNKGM-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB CN(C(=O)c1ccc(CSc2nccn2C)o1)[C@H]1CCc2ccccc21 46332708 MXXAFCWVOGRGNL-KRWDZBQOSA-N 367.474 4.065 0 40 FIAB O=C(CN1CCC[C@H]1c1ccc[nH]1)N(Cc1ccccc1)c1ccccc1 48299484 JUAYNDSWBAOTMM-QFIPXVFZSA-N 359.473 4.385 0 40 FIAB Cc1cccc(OCc2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)o2)c1 48325786 ZIBITUNORIWTKN-LBPRGKRZSA-N 374.466 4.491 0 40 FIAB Cc1nc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)cs1 49029253 BDGIZHYJFDNMHI-UHFFFAOYSA-N 361.235 4.122 0 40 FIAB FC(F)(F)c1nc(NCCc2nc3ccccc3[nH]2)c2ccccc2n1 57877448 CPMSNOIXVGCJLA-UHFFFAOYSA-N 357.339 4.180 0 40 FIAB O=C(OCc1nnc(C2CC2)o1)c1ccc(C2SCCCS2)cc1 63920555 BNPLWEYZWMVRRW-UHFFFAOYSA-N 362.476 4.173 0 40 FIAB c1ccc(COc2ccc(CNC[C@H]3COc4ccccc4C3)cc2)nc1 64411601 JLQGANGYTFVNMM-IBGZPJMESA-N 360.457 4.002 0 40 FIAB COCCn1ncc2ccc(NC(=O)c3sc4ccccc4c3C)cc21 70783907 WZVIOUABCBJKJD-UHFFFAOYSA-N 365.458 4.458 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)=O 72215216 NHZBNYGLXLBJFH-YOEHRIQHSA-N 361.486 4.305 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@@]1(O)CCc2ccccc21 75155716 HGMGFMCBLQOJBM-VWLOTQADSA-N 371.480 4.159 0 40 FIAB Cc1cccc(COc2ccccc2C(=O)NCC(C)(C)C[C@H](C)O)c1 76086480 AQADATGXXFRRIU-KRWDZBQOSA-N 355.478 4.101 0 40 FIAB Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@H](CC(C)C)SCC(O)=N2 79490326 RIGJRLOJLVLKBQ-AWEZNQCLSA-N 359.451 4.301 0 40 FIAB Cc1ccccc1CC1CN(C(=O)Nc2ccc(-c3csnn3)cc2)C1 84319292 QKBVVOCCGFTMIK-UHFFFAOYSA-N 364.474 4.220 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)N(CCCO)[C@@H]1CCCc2ccccc21 85580150 DQNGKOVCXPKNDU-OAQYLSRUSA-N 363.461 4.462 0 40 FIAB Cc1ccc(N(C)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)cc1 96009567 XVRMJODXUHBWQB-KRWDZBQOSA-N 359.420 4.406 0 40 FIAB Cc1nc2n(n1)[C@@H](c1cccnc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102710330 AFSQDJIWWIKUSL-UZLBHIALSA-N 357.417 4.047 0 40 FIAB CC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)cc1 112161088 HCDNVFVOLHHDIZ-UHFFFAOYSA-N 351.381 4.083 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)c(=O)[nH]1 113127972 RZSGQQMHGKDINK-UHFFFAOYSA-N 371.396 4.276 0 40 FIAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 155200761 VHFXWPVSOHUREJ-RDTXWAMCSA-N 373.472 4.018 0 40 FIAB CO[C@@H](CNC(=O)c1c(-c2ccccc2)noc1C)c1cccc(Cl)c1 173528155 CQICWPSIEVXAGU-KRWDZBQOSA-N 370.836 4.421 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CCSCc2ccccc2)c1C 218996258 BSSWRFGAWSKTNY-UHFFFAOYSA-N 357.475 4.434 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 223457695 RWNYAPVJEAKKSY-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 223595616 QNYKUDGAWFAMCM-SFHVURJKSA-N 371.477 4.221 0 40 FIAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 224095201 HFLHBVGQMQMJGI-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 224712613 YGSRGJWNVGEHFE-UHFFFAOYSA-N 354.425 4.023 0 40 FIAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CC 225361514 LJCYYPMTMNKQDE-OAHLLOKOSA-N 359.297 4.037 0 40 FIAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(Cl)cc2)cc1 225456248 CRFDPIHJFJTMPD-UHFFFAOYSA-N 356.882 4.321 0 40 FIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225824548 YXRTVSPZZZEOPD-FQEVSTJZSA-N 365.470 4.184 0 40 FIAB COc1ccc(-c2nnsc2C(=O)N(C)c2ccc(C)c(C)c2)cc1 225887778 LFNXDVAKDJLMOT-UHFFFAOYSA-N 353.447 4.107 0 40 FIAB CCCCN1CC=C(c2nn3c(-c4ccccc4C)nnc3s2)CC1 226250759 LTBQFNDSSSXJKF-UHFFFAOYSA-N 353.495 4.050 0 40 FIAB COc1ccc(Br)cc1C(=O)Nc1cc(Cl)c(C)cc1N 226349644 PNZOQEAMPYIAKD-UHFFFAOYSA-N 369.646 4.254 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2ccc3ncccc3c2)C1 257250389 JMIOAQQHLRUFRE-MRXNPFEDSA-N 351.475 4.095 0 40 FIAB CC[C@H](C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257295374 QYBFRBATERUXSG-KRWDZBQOSA-N 352.478 4.003 0 40 FIAB C[C@@H](NC(=O)OCc1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C 261508877 XWYCDJKTHMQJST-NVXWUHKLSA-N 362.470 4.091 0 40 FIAB CCSc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1 408714300 NNECCKOOFIJBMM-UHFFFAOYSA-N 367.474 4.429 0 40 FIAB COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccccc1 408889131 DYQFQDUZVIEPBH-DHDCSXOGSA-N 374.849 4.066 0 40 FIAB C[C@@H]1CCc2onc(C(=O)Nc3cccc(OCc4cccnc4)c3)c2C1 516138965 ZQTIYONYRMYAGG-CQSZACIVSA-N 363.417 4.026 0 40 FIAB COc1ccc2c(c1)CCCN(C(=O)N[C@H](C)c1cc(F)ccc1OC)C2 524192106 VQYYFVYPWAHDEN-CQSZACIVSA-N 372.440 4.062 0 40 FIAB O=C(c1ccccc1)N1CC[C@H](C(=O)N2CCC[C@H]2CCC2CCCC2)C1 626182455 LJUCVXBXRSAMHD-SFTDATJTSA-N 368.521 4.110 0 40 FIAB COC[C@@H](NC(=O)c1ccccc1-c1ccccc1)c1cccc(OC)c1 1585642973 PARRGAFMXROTFB-JOCHJYFZSA-N 361.441 4.480 0 40 FIAB CN(C)C1(CNc2nc(C(F)(F)F)nc3cc(F)ccc23)CCCC1 1615566496 GFLNLVROQIJJMS-UHFFFAOYSA-N 356.367 4.074 0 40 FIAB CSc1ccccc1NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 814842 VXTNZIGEFBFARF-AWEZNQCLSA-N 364.829 4.333 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)Nc3ccccc3F)nc2c1 1094758 SSFMQWCFFPMEBE-UHFFFAOYSA-N 356.422 4.422 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 1364540 DZGLUKIIXJTNMG-ZDUSSCGKSA-N 373.865 4.471 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 2656060 UOBUNNIDGHGTII-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)CCSc3ccccc3)nc12 2713992 HYDDZWIOIGHNIV-UHFFFAOYSA-N 374.487 4.434 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c1C 3308664 HEVIHSNORGNPSJ-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc2ccccc12 3525224 ZTXWZSHMHURHEL-KRWDZBQOSA-N 361.441 4.134 0 40 FIAB CCSc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)s1 3544436 IPJIOBSAKMISFI-UHFFFAOYSA-N 353.538 4.306 0 40 FIAB O=C(OCCOc1ccc(Br)cc1)c1ccc2ccccc2n1 3563879 WSLPAXZBHQBHHH-UHFFFAOYSA-N 372.218 4.233 0 40 FIAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1ccc(Cl)s1 3590738 ANSPFYPTHNTBPG-UHFFFAOYSA-N 371.867 4.078 0 40 FIAB CCOC(=O)[C@@H](C)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340664 NSXHMHOIZWYTKU-CQSZACIVSA-N 352.386 4.099 0 40 FIAB biogenic Cc1ccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)CC2)c(C)c1 5155862 FNFFZOQGGHHHSF-UHFFFAOYSA-N 371.488 4.363 0 40 FIAB COc1ccccc1OCCC(=O)Nc1ccc(Br)c(C)c1 6083027 YWHBKRUPAPDYDY-UHFFFAOYSA-N 364.239 4.174 0 40 FIAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1F 6326981 PIXVEUDZLCLJOY-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB COc1ccc(/C=C(/C(=O)NCCCOC(C)C)c2ccccc2)cc1 6328066 CODRQFUAPXDUKL-LTGZKZEYSA-N 353.462 4.167 0 40 FIAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)cc(Cl)c1O 6754064 NEWNKVCMWJJLEE-VOTSOKGWSA-N 355.777 4.471 0 40 FIAB COc1ccc(COC[C@H](O)CN(C)Cc2ccc(C(C)(C)C)cc2)cc1 6906410 VXELRUINNCYPHF-OAQYLSRUSA-N 371.521 4.002 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)CSCc2ccc(-n3cccn3)cc2)[C@@H]1C 7134125 YNMLNTGNIOVRJB-MDZRGWNJSA-N 357.523 4.046 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)cc1OC 7756414 LVGJWRCYNRJHHB-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccncc4)ccc3o2)cc1 9659988 MNJDRSPBNWYKPW-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic C[C@H]1c2cccc(C(=O)N(C)Cc3nc4ccccc4s3)c2O[C@@H]1C 9762571 BODGSPRQWHKXBD-CHWSQXEVSA-N 352.459 4.453 0 40 FIAB Cc1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c(C)c1 9876896 HCHRYXIUFVZHGC-UHFFFAOYSA-N 353.535 4.439 0 40 FIAB CCOc1ccccc1C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F 10639345 ZUJOWYDDFOXEKI-ZDUSSCGKSA-N 373.403 4.364 0 40 FIAB COc1ccc(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1OC 12421884 WPLSQQDKCFONHG-UHFFFAOYSA-N 350.418 4.430 0 40 FIAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C3CC3)n2)cc1 12442147 HCJDNIYCWMFYPD-UHFFFAOYSA-N 368.462 4.051 0 40 FIAB CCCc1noc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 12553318 LTXFFMWTKQRODO-UHFFFAOYSA-N 361.751 4.266 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc2c(s1)CCCCC2 12776304 MLMSPFKJFFJDFF-UHFFFAOYSA-N 369.494 4.298 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)oc2ccc(F)cc12 12849428 YNUFYWCKIMEJDS-IBGZPJMESA-N 366.436 4.447 0 40 FIAB COc1ccc([C@H](NC(=O)CCCOc2ccc(C)cc2)C2CC2)cc1 12898764 DQNXSSUPHQFZSG-JOCHJYFZSA-N 353.462 4.430 0 40 FIAB COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 13096215 NPHUMFINLOJGRJ-CYBMUJFWSA-N 366.383 4.173 0 40 FIAB O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1CC=CC[C@H]1C(=O)O 13468307 OWHVAFQFQVPHEV-LSDHHAIUSA-N 363.504 4.161 0 40 FIAB CCCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCC1 13571107 RTHZBOCTNRVGHU-UHFFFAOYSA-N 361.511 4.063 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccccc1F)N(CCc1c[nH]c3ccccc13)C2=O 13690046 OIWCOCOSALAXMJ-OAQYLSRUSA-N 374.419 4.126 0 40 FIAB COc1ccc(-c2nnc3sc(-c4cc(Cl)ccc4OC)nn23)cc1 15083123 RJOQVODZFLZRLP-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB Cc1ccc(-c2nc3c4c(C)c(C)n(Cc5ccco5)c4ncn3n2)cc1 15842211 PGQYQUVEDQOGJT-UHFFFAOYSA-N 357.417 4.313 0 40 FIAB O=c1[nH]nc(SCc2ccc(Cl)cc2)n2nc(-c3cccs3)cc12 16844018 FGMDITSWXJPKFZ-UHFFFAOYSA-N 374.878 4.092 0 40 FIAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)C(C)(C)C)cc2)on1 19123741 VVPZHXKUDMVPJY-UHFFFAOYSA-N 364.449 4.078 0 40 FIAB Cc1csc([C@H](Cc2ccsc2)NC(=O)c2ccc(N(C)C)cc2)n1 19240198 HVGATTQSVWFSGL-KRWDZBQOSA-N 371.531 4.293 0 40 FIAB CCOc1cc(C)c(C)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 19943812 IORNRRDGVMTBQG-UHFFFAOYSA-N 370.474 4.111 0 40 FIAB C[C@H]1C[C@@H](C)CN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)C1 21873532 BIFCZPSKWUZXMQ-BETUJISGSA-N 370.888 4.243 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235482 VRCSKFAHAWQFMM-UHFFFAOYSA-N 360.457 4.325 0 40 FIAB Cn1cc(C(=O)Nc2c(Cl)cccc2Cl)c(=O)c2cc(F)ccc21 22236288 JAMWYEMKYJLZLI-UHFFFAOYSA-N 365.191 4.237 0 40 FIAB Cc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 22408141 HFMJAMHFGNMYMG-OAQYLSRUSA-N 355.889 4.299 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc(CN2CCOCC2)c1 22511608 UUXHPRRAZNZUKR-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB COc1ccc(NC(=O)c2cccc3cn[nH]c23)cc1OC1CCCC1 24508749 PDGIVDUUQVGZAY-UHFFFAOYSA-N 351.406 4.145 0 40 FIAB O=C(NCCc1ccccn1)c1cn(Cc2ccccc2)c2ccccc12 24604450 LUIOSEPEMGTALM-UHFFFAOYSA-N 355.441 4.057 0 40 FIAB Cc1ccc(CN(C(=O)COCc2nc3ccccc3s2)C2CC2)cc1 25764188 QQFJRRBHGARZJO-UHFFFAOYSA-N 366.486 4.313 0 40 FIAB CC(=O)NCCCc1ccc(-c2csc(Cc3csc(C)n3)n2)cc1 26981956 RWZZPCKWLDIVOA-UHFFFAOYSA-N 371.531 4.235 0 40 FIAB Cc1cccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c1 27019403 WMJVBXWYSZATNT-LJQANCHMSA-N 350.443 4.107 0 40 FIAB CCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 27604137 YXQCQKILRCHKQQ-SFHVURJKSA-N 358.507 4.104 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCc1ccc2c(c1)OCO2 32845824 SMYNVCXXJZXMIS-CYBMUJFWSA-N 368.458 4.177 0 40 FIAB CC[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1 32882964 HTIRRWRFQNVELI-KRWDZBQOSA-N 374.868 4.053 0 40 FIAB Cc1cccc(C(=O)NC2CCN(C(=O)Nc3c(C)cccc3C)CC2)c1 35289449 ISVWGDISXMMEAW-UHFFFAOYSA-N 365.477 4.038 0 40 FIAB COc1ccc2c(CN3CCCc4cc(F)cc(F)c43)cc(=O)oc2c1 36754091 DQHKICFWRHVIGH-UHFFFAOYSA-N 357.356 4.033 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 40052326 UXYQKOUJHFLVDN-UHFFFAOYSA-N 365.379 4.468 0 40 FIAB CCc1ccc(CNC(=O)c2ccccc2SCc2noc(C)n2)s1 40117101 XMRWFXZIMWBRPC-UHFFFAOYSA-N 373.503 4.224 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1OC 44847438 JIDXIZSPYBKCQD-NSHDSACASA-N 351.855 4.477 0 40 FIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1cccc(Cn2ccnc2)c1 45735563 BZTNGTIEEYNUQV-UHFFFAOYSA-N 374.488 4.170 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(F)c(N(C)C)c(F)c1 54350218 KKZZKIXBKSIIEV-UHFFFAOYSA-N 371.387 4.175 0 40 FIAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 57153387 PXGABJLIJRHNTN-UHFFFAOYSA-N 363.505 4.138 0 40 FIAB CCn1cc(C(=O)OCc2c(Cl)nc3sccn23)c2ccccc21 58370456 XBIYVMZOKJUJDK-UHFFFAOYSA-N 359.838 4.381 0 40 FIAB Cc1ccccc1N(C(=O)c1cnsn1)c1nc2ccccc2s1 58378728 CTPIWEBCLVXCEP-UHFFFAOYSA-N 352.444 4.435 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1nc2c(s1)CCCCC2 61720933 WZTWFYBPTJGVLC-UHFFFAOYSA-N 358.492 4.220 0 40 FIAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)Cc3ccccc3)C2)c1 72358626 PLKLQMSICLMUGZ-NRFANRHFSA-N 371.484 4.401 0 40 FIAB O=C(CCNc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 74414660 LWEVWMLZHIGUAV-KRWDZBQOSA-N 351.475 4.462 0 40 FIAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1sc2ccccc2c1Cl 75107396 CMTDHEGPRQCOQX-ZSDPLGQISA-N 369.939 4.364 0 40 FIAB Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@H](C)c1ccccn1 79060342 RBSHLWMTODONKH-SNVBAGLBSA-N 366.895 4.298 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccccc1Br 83264745 UMSPIOPEGWKZIB-GFCCVEGCSA-N 355.276 4.261 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccccc2Br)ccc1Cl 84847595 DEQAZLUUMQVIBJ-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC(C)COC(=O)N1CCCN(Cc2cnc(-c3ccccc3)s2)CC1 89840258 PZCZPNDZJIJLPK-UHFFFAOYSA-N 373.522 4.110 0 40 FIAB CC[C@@H](C(=O)N1CCC(C)(COC)CC1)c1cccc(C(F)(F)F)c1 95459624 MZGUQLFXERRAGG-MRXNPFEDSA-N 357.416 4.474 0 40 FIAB Fc1cnc(N2CCC3(CC2)C[C@@H](c2cccnc2)c2ccccc23)nc1 96079257 PAVKTRJOEGVMNM-IBGZPJMESA-N 360.436 4.085 0 40 FIAB Cc1occc1C(=O)N1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 96110596 BFPVNEUUCBXBBT-FPOVZHCZSA-N 353.462 4.088 0 40 FIAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](C[C@H]4O[C@@H]43)[C@@]1(Cl)C2(Cl)Cl 100353280 VMNNMBZKONGDDQ-FRBCTSRQSA-N 354.875 4.235 0 40 FIAB O=c1c2ccccc2c2c(O)nc(-c3ccccc3)n2n1Cc1ccccc1 101751526 ARCARMANEQRNDS-UHFFFAOYSA-N 367.408 4.070 0 40 FIAB CC[Si](CC)(CC)c1cc(Br)cc2c1OC(F)(F)O2 195942013 XVHZEVAFHFFZDV-UHFFFAOYSA-N 351.263 4.486 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 219330427 JJVFNVAVQNRHFF-WIYYLYMNSA-N 355.478 4.353 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 219357327 GQDJXSQTQFGZRI-NRFANRHFSA-N 371.477 4.000 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1Cl 222820441 RAZDGDNKFOBVSL-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB COc1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1C 223233150 CJQOZEWVWTXLHB-UHFFFAOYSA-N 363.841 4.246 0 40 FIAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)o1 224553737 BYYXZRQNXLXMHT-RBUKOAKNSA-N 365.458 4.169 0 40 FIAB CCSc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 224792134 WINPECWIBMJONC-UHFFFAOYSA-N 354.519 4.324 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 225040745 PRAHTOJCJLGOBS-UHFFFAOYSA-N 361.869 4.455 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)N[C@H](C)CC 225280913 ZYZNLXWGZVQBNY-NEPJUHHUSA-N 359.297 4.035 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCCC1 225669101 WXPRUPRTMURQGM-JOCHJYFZSA-N 372.553 4.105 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 225832474 NEPZUMFLEQGMRS-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cc1nc2cc(NC(=O)c3cccnc3O[C@@H]3CCSC3)ccc2s1 244975134 IDAMLGJJWPVTJA-CYBMUJFWSA-N 371.487 4.136 0 40 FIAB Cc1ncc(CN2CCO[C@@H](c3cccc(Cc4ccccc4)n3)C2)s1 257280767 OMHFGFYPKKTDHL-OAQYLSRUSA-N 365.502 4.011 0 40 FIAB Cc1ccc(C)c(NC(=O)CSCC(=O)Nc2ccc(C)c(C)c2)c1 408603116 QDXHDVWMXDWSNL-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB CCCc1occc1C(=O)N1CCC(n2c(C)nc3ccccc32)CC1 684933552 OMQZBEGYBYKFJB-UHFFFAOYSA-N 351.450 4.368 0 40 FIAB CC[C@](O)(C(=O)N(C)Cc1cc(Cl)ccc1F)c1cccc(Cl)c1 1328665911 LDSPXNCXUQWCEN-GOSISDBHSA-N 370.251 4.389 0 40 FIAB Cn1c(CNC[C@H]2CCc3ccccc32)nc2cc(C(F)(F)F)ccc21 1655623257 PONLRLZAEHEXIS-CQSZACIVSA-N 359.395 4.412 0 40 FIAB Cc1cccc(OC[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 1775969242 FQARBPCFHPHJST-HXUWFJFHSA-N 352.478 4.030 0 40 FIAB COCCCc1cccc(CN2CCC(c3ccc(C(=O)O)cc3)CC2)c1 1777207972 XBSUOXFTUWYBKG-UHFFFAOYSA-N 367.489 4.343 0 40 FIAB COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1 811892 JVKIITLFSOHXOJ-UHFFFAOYSA-N 374.396 4.113 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CCCOc2cccc(C)c2C)c(C)c1 1787503 ZKFHHZXENZUYSW-UHFFFAOYSA-N 369.461 4.261 0 40 FIAB COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCC2 1940026 QYTNYHHNCYNYEL-JXMROGBWSA-N 361.850 4.329 0 40 FIAB Cc1cccc(C)c1C(OC[C@@H](O)CNC(C)C)c1c(C)cccc1C 2019969 NCDUZGLNHCZFNZ-FQEVSTJZSA-N 355.522 4.385 0 40 FIAB in-man Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)cc1 2908106 PBDVZANSQSGOQU-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1ccc(C(=O)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 3270759 BZXPLQWXKWHLDO-UHFFFAOYSA-N 369.417 4.170 0 40 FIAB CCc1cccc2c(C(=O)COC(=O)c3ccc(OC(F)F)cc3)c[nH]c12 3288954 FINGUNCGGOMJRO-UHFFFAOYSA-N 373.355 4.371 0 40 FIAB CCN(c1ccc(NC(=O)COC(=O)c2sccc2C)cc1)C(C)C 3295751 HDMHCHKPUREOLH-UHFFFAOYSA-N 360.479 4.087 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)CNC[C@@H](O)c1ccccc1 3339020 LNZPRRDDFWZSLE-HXUWFJFHSA-N 354.494 4.195 0 40 FIAB COc1ccc(CCN(C)c2ncnc3c2oc2ccccc23)cc1OC 3367736 OWGCRMUSNROKNK-UHFFFAOYSA-N 363.417 4.072 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 3449996 QUBCEYGCMHXIQW-UHFFFAOYSA-N 367.470 4.477 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1Cl 3507390 ARVLPLXHVZXNST-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CC(C)CNC(=O)c1ccccc1-c1ccccc1C(=O)NCC(C)C 4016754 LKPDJJLORVIWOJ-UHFFFAOYSA-N 352.478 4.125 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 4580643 KMRBVTGFHDGZOW-UHFFFAOYSA-N 361.551 4.479 0 40 FIAB CCN(CC)CCOC(=O)[C@H](C1CCCCC1)C1(O)CCCCCC1 4691806 CMALZTOOSHBLNK-IBGZPJMESA-N 353.547 4.153 0 40 FIAB Cc1cc(C(=O)CCC(=O)OCc2nnc(-c3ccccc3)o2)c(C)s1 4883278 DUBVUDNODGNETR-UHFFFAOYSA-N 370.430 4.121 0 40 FIAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N1CCCC1 5242844 IZGSUXXQHXOUGI-OAHLLOKOSA-N 363.486 4.400 0 40 FIAB Cc1ccc(N(Cc2ccccc2)C(=O)[C@H]2COc3ccccc3O2)cc1 5269934 MZSYEFINXLMXER-JOCHJYFZSA-N 359.425 4.368 0 40 FIAB CCCCC(=O)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 5792206 RGKSTKHLPYBHIU-UHFFFAOYSA-N 353.249 4.332 0 40 FIAB CCOc1cc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)ccc1O 6024606 YZRFSYYPURMSSK-UHFFFAOYSA-N 351.450 4.420 0 40 FIAB O=c1[nH]c(SCc2csc(-c3ccccc3)n2)nc2ccccc12 6517111 VJOXGDHVJWSIMT-UHFFFAOYSA-N 351.456 4.339 0 40 FIAB O=C(Cc1ccsc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657640 RGKJQWCWVOOQHY-IBGZPJMESA-N 361.470 4.267 0 40 FIAB O=C(CCC1CCCCC1)Nc1ccccc1C(=O)NCC(F)(F)F 6846842 MBRKPYYMRZOMBO-UHFFFAOYSA-N 356.388 4.278 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccccc1Br)c1cccc(Cl)c1 7305294 HOLQKFKEYXRYJB-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB Cc1ccc(NC(=O)CN(C)Cc2ncc(-c3ccc(Cl)cc3)o2)cc1 7676365 KEUYVRZLJLWNMF-UHFFFAOYSA-N 369.852 4.374 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)Nc1nnc(Cc2ccccc2)s1 7977804 ZZSLBMRTNMSHRQ-OUKQBFOZSA-N 372.453 4.329 0 40 FIAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 8257713 CSVNLNBTYQUWEO-GFCCVEGCSA-N 368.506 4.098 0 40 FIAB Cc1cc(C)cc(OC(=O)c2ccc(Cn3nnc4ccccc43)cc2)c1 8335886 WRRPUCQRZVPORZ-UHFFFAOYSA-N 357.413 4.316 0 40 FIAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1Cl 8587046 IRLHZICXNVFDOO-LJQANCHMSA-N 353.853 4.421 0 40 FIAB Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1F 8735007 OBTPXNHVEKAYPP-UHFFFAOYSA-N 366.421 4.078 0 40 FIAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCC1 8746036 LUYKYQNDEFCNSO-FMIVXFBMSA-N 363.848 4.438 0 40 FIAB COc1ccc(C(=S)N2CCC(Cc3ccccc3)CC2)c(OC)c1 9189180 PJDVFUZVENXLEZ-UHFFFAOYSA-N 355.503 4.334 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc2c(c1)OCCCO2 9536031 MZOFJGLYQHYZLZ-UHFFFAOYSA-N 372.471 4.214 0 40 FIAB O=C(CCc1nc2ccccc2s1)Nc1nc(-c2ccccn2)cs1 9657188 MTKQRVAEAZQRGY-UHFFFAOYSA-N 366.471 4.386 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)o1 9691568 SSQNCOPAIHZUQP-GFCCVEGCSA-N 364.430 4.285 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1c(F)cccc1F 10214483 JFCCIRQMXDWMLY-UHFFFAOYSA-N 360.341 4.069 0 40 FIAB COc1ccc(OCc2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 10312278 SDAJFYYYJAKQAZ-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB Cc1cc(C(=O)Nc2ccc(OC(F)F)cc2)c2cnn(C(C)C)c2n1 10959342 IRGSRPBLKVCVMP-UHFFFAOYSA-N 360.364 4.174 0 40 FIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc2ncsc2c1 11361826 VRPATAWNNFPONT-UHFFFAOYSA-N 363.398 4.394 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1 11477155 IVCLNISDUGKUNX-HNNXBMFYSA-N 374.506 4.139 0 40 FIAB COC(=O)c1ccc(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)cc1 12547205 XXEJOUYZPZXRBJ-LLVKDONJSA-N 374.343 4.136 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)c12 12781330 GHTRLFJIFIHELM-VIFPVBQESA-N 357.360 4.178 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Br)ccc1O 12931289 FGGPPXFREBTITN-UHFFFAOYSA-N 372.621 4.219 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)Cn2nnc3ccccc32)cc1 13008445 ZZJFAGPDHYUUDN-UHFFFAOYSA-N 358.401 4.171 0 40 FIAB O=C(NCCN1CCCCCC1)c1ccccc1CCc1ccccc1 13688454 JYANHJSQVXPAHD-UHFFFAOYSA-N 350.506 4.078 0 40 FIAB CC(C)(C)c1ccc(O)c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c1 15525492 QMTFIJLTYKALER-QGZVFWFLSA-N 370.474 4.131 0 40 FIAB Fc1ccc(COc2ccccc2CNCc2ccc3c(c2)OCO3)cc1 16449751 YHPKFJDFJQSONQ-UHFFFAOYSA-N 365.404 4.423 0 40 FIAB Cc1csc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)c1 19124531 UKQZQHQWQYORTA-GFCCVEGCSA-N 359.476 4.188 0 40 FIAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)CC(C)(C)C)n1 19558368 RYHHFHBHMUHLPP-INIZCTEOSA-N 356.470 4.157 0 40 FIAB CCCOc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1C 19943819 DEGBJHIVBGKCKM-UHFFFAOYSA-N 370.474 4.193 0 40 FIAB CCCC(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3s2)c1 20157756 WOOFOYLXAIYLQD-UHFFFAOYSA-N 370.430 4.165 0 40 FIAB c1ccc(CN[C@H]2CC[C@H]3S[C@@H]2CC[C@H]3NCc2ccccc2)cc1 20436193 LLRPUFMACFGFPY-CIAFKFPVSA-N 352.547 4.361 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cc(OC)cc(OC)c1 21598566 OBDQDVZMRKJLNI-VMPITWQZSA-N 365.882 4.481 0 40 FIAB O=C(OCc1csc(-c2ccccc2Cl)n1)C1(O)CCCCC1 21918814 XITLLOSXOYLQCZ-UHFFFAOYSA-N 351.855 4.202 0 40 FIAB O=C(c1cccnc1N1CCCC1)N1CC=C(c2c[nH]c3ccccc23)CC1 22483378 FIQMTNGKWDFYPQ-UHFFFAOYSA-N 372.472 4.093 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC 22514416 QPIJAEJCSFYWQI-JKSUJKDBSA-N 368.477 4.183 0 40 FIAB O=C(CSc1nncs1)N1c2ccccc2CCc2ccccc21 25460143 ZJKVUSGPQXRRQY-UHFFFAOYSA-N 353.472 4.094 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@@H]1CCCN(C(=O)c2ccco2)C1 25462942 VPTRJQCDZPPCBG-QGZVFWFLSA-N 374.440 4.022 0 40 FIAB Cc1ccccc1[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 28189917 DPNZTMSHACWHMP-IEBWSBKVSA-N 366.490 4.042 0 40 FIAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1cccnc1Cl 32070963 WUDZVBATSKHFTA-UHFFFAOYSA-N 350.765 4.191 0 40 FIAB O=C(NCCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Cl 40095856 RNXZIIJXGZCKGA-UHFFFAOYSA-N 353.205 4.086 0 40 FIAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2c(CC)ccc(Cl)c2CC)C1 40103337 PXKQOQLPKPXBBQ-AWEZNQCLSA-N 366.889 4.272 0 40 FIAB Cc1c(C(=O)Nc2nc(-c3ccc[nH]3)cs2)oc2c1C(=O)CC(C)(C)C2 44356747 HQFDRJKURFKHOI-UHFFFAOYSA-N 369.446 4.447 0 40 FIAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(N2CCOCC2)cc1 58163141 ZWSQGXVNCKOSPT-UHFFFAOYSA-N 372.468 4.366 0 40 FIAB O=C(c1ccc2c(c1)CCC2)N(Cc1cccc(F)c1)C[C@H]1CCCO1 58357489 KSMCDYKWBYGQPK-OAQYLSRUSA-N 353.437 4.136 0 40 FIAB COc1ccccc1C1(CNc2nc3ccccc3s2)CCOCC1 58394175 KINMFRUOAWRGIU-UHFFFAOYSA-N 354.475 4.465 0 40 FIAB Cc1nc(C2(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CCCCC2)no1 58403060 BKHGGOMKNYNYGT-HUUCEWRRSA-N 359.857 4.111 0 40 FIAB CCc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 58430537 CNEQXLACQUYCDW-LLVKDONJSA-N 358.492 4.431 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 59227198 JACCCYRIVXRZOS-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB CCCCC(=O)Nc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 72193674 OJGBSQDUHNMIGR-UHFFFAOYSA-N 369.372 4.000 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C=O)cn1)C1CCC1 72215474 LORSFOLVIJYYRL-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB Cc1nc(C2(NC(=O)c3csc4c3CC[C@H](C)C4)CCCCC2)no1 72242280 AJJAJPCWIXUUDE-LBPRGKRZSA-N 359.495 4.154 0 40 FIAB O=C(Cc1ccc(F)cc1)N1CCC(c2onc3c2CCCCC3)CC1 72342255 LEEKAICNFJUTLQ-UHFFFAOYSA-N 356.441 4.031 0 40 FIAB C[C@](O)(CNC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1cccs1 75155908 YTOZGBYSQNDZNK-SFHVURJKSA-N 363.910 4.237 0 40 FIAB COc1ccc(-c2cc(Cl)nc(-c3ccc(OC)c(OC)c3)n2)cc1 78401306 VVHFWIZISRLJML-UHFFFAOYSA-N 356.809 4.490 0 40 FIAB O=c1c(C(F)(F)F)cc(C2CC2)nn1Cc1cccc(C(F)(F)F)c1 84364570 OIQCKYFPWQVWEO-UHFFFAOYSA-N 362.273 4.207 0 40 FIAB C[C@@H]1CN(C(=O)c2csc(-c3cc4ccccc4o3)n2)CC(C)(C)O1 95957350 ZUWUZLCKJWNFKV-GFCCVEGCSA-N 356.447 4.196 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102814124 AAYSKYCALRQMSM-RDNZODCXSA-N 361.485 4.224 0 40 FIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)COc1ccc(C(C)C)cc1 216721694 FHQUUXBRBSXMBT-UHFFFAOYSA-N 351.402 4.491 0 40 FIAB COc1ccccc1OCC(=O)N1CCS[C@H](c2ccccc2C)CC1 219277806 RVUMOPMCDVGJBF-FQEVSTJZSA-N 371.502 4.089 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCN(C)c1ccccc1 219336395 JNAFOWNTRWKRFM-OAQYLSRUSA-N 362.473 4.250 0 40 FIAB COc1ccc(-c2ncc(C(=O)Nc3ccccc3Cl)c(C)n2)cc1 223140487 NYEUUMDPIXBDGQ-UHFFFAOYSA-N 353.809 4.366 0 40 FIAB Cc1ccc(CC(=O)NCc2cccc(CN3CCCCC3)c2)c(C)c1 224699339 DCFMZKVMZQOGHA-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB CCN(CC)C(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224902244 PYFYDRHTTYFSFD-UHFFFAOYSA-N 350.418 4.499 0 40 FIAB CCOc1ccc(CNC(=S)Nc2ccc(OC)c3ncccc23)cc1 225432800 ZKKOQTQWZBHRKA-UHFFFAOYSA-N 367.474 4.129 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225827861 BBXOIIRSFNBBEX-QFBILLFUSA-N 371.477 4.355 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccccc2F)cc1N1C[C@@H](C)C[C@@H](C)C1 226329974 CBGYNTLMYGBBBF-OKILXGFUSA-N 355.457 4.451 0 40 FIAB CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC[C@H](c3ncc[nH]3)C1)CC2 548660921 LUSTVCBFDWUOOY-PKOBYXMFSA-N 352.482 4.110 0 40 FIAB C[C@@H](NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccsc1 669860405 FWVXKYVVRJJZHP-SNVBAGLBSA-N 358.444 4.091 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)c3cccs3)CC[C@@H]2N1c1cccc(F)c1 1615159512 VSURTWLKNIBEFU-PBHICJAKSA-N 358.482 4.407 0 40 FIAB CCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 623831 VCHLLLBGWJNRBN-UHFFFAOYSA-N 371.487 4.200 0 40 FIAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccccc3)cc2)CC1 819718 JMRWTTUFIMHGPU-UHFFFAOYSA-N 354.475 4.335 0 40 FIAB COc1ccc(N[C@@H]2C[C@H](C)Nc3cc(OC)c(OC)cc32)cc1OC 874271 LBVFUEZLSIEYAH-SWLSCSKDSA-N 358.438 4.078 0 40 FIAB CC(C)CCOC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 885216 BKIGWJWPWZKNDY-HJLBWTBNSA-N 366.457 4.474 0 40 FIAB COc1cccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c1 1332899 ASZREVBOLZJPMT-UHFFFAOYSA-N 365.414 4.202 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 1751218 JDXOTJCPQACAJN-FMIVXFBMSA-N 350.443 4.394 0 40 FIAB biogenic Fc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 2344177 KSGDIWFYEYFCHH-UHFFFAOYSA-N 350.422 4.306 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008148 ONDLLNNLOWWTRF-UHFFFAOYSA-N 371.412 4.079 0 40 FIAB O=C(Nc1ccccc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134459 DNNYFSAYUDUTMY-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 3296760 KHRFMXYTTWQCCP-SNVBAGLBSA-N 363.788 4.398 0 40 FIAB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1 3491685 TUVUKHCCBJBFLL-GOSISDBHSA-N 360.457 4.382 0 40 FIAB Cc1cc(Cl)cc2sc(NC(=O)[C@H]3COc4ccccc4O3)nc12 4325399 GQEUHYNLIMMSNR-CYBMUJFWSA-N 360.822 4.037 0 40 FIAB CC[C@H](C)N(CC(C)C)C[C@](C)(O)CNc1cc(OC)cc2cccnc12 4522427 MBVJHPHECDEUPH-HTAPYJJXSA-N 373.541 4.163 0 40 FIAB CCCCCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)C1 4679051 GEAQBOJZZYTVNS-HNNXBMFYSA-N 362.779 4.373 0 40 FIAB CC[C@](C)(Nc1cccc(OC)c1)c1nnnn1-c1c(C)cccc1C 4936415 UYQORDJNBSDXCS-FQEVSTJZSA-N 351.454 4.025 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 5586973 GEVBYMWHAGEOJS-INIZCTEOSA-N 354.450 4.092 0 40 FIAB CCCC(=O)NC1CCC(CC2CCC(NC(=O)CCC)CC2)CC1 6039156 VCCNSSSKUGMERD-UHFFFAOYSA-N 350.547 4.327 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 6258549 HZBWTXZIAAVDLY-UHFFFAOYSA-N 371.742 4.083 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)OCc1c(F)c(F)c(F)c(F)c1F 6384282 OAIQWMCDTNKSAT-UHFFFAOYSA-N 355.262 4.149 0 40 FIAB CC[C@H](C(=O)OCC(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 6541144 KZUCVPDKOBHDTC-HNNXBMFYSA-N 361.825 4.024 0 40 FIAB CN1CCN(c2ncnc3sc4c(c23)CCCC4)[C@H](c2ccccc2)C1 6590130 VIYNBHMTFKWMML-KRWDZBQOSA-N 364.518 4.063 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1ncc(Cl)c(Cl)c1Cl 6847235 ZHWRTAYQVDLWGI-UHFFFAOYSA-N 372.683 4.033 0 40 FIAB O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCC1=CCCCC1 6876456 SHYXQHJHGXUKEB-UHFFFAOYSA-N 358.413 4.004 0 40 FIAB Cc1ccc(-c2noc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1 7006579 USCRMXMQFHIXFU-UHFFFAOYSA-N 351.797 4.255 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccccc1 7405006 WMBAVUYNJOMVIS-JTSKRJEESA-N 366.505 4.330 0 40 FIAB O=C(COc1ccccc1Cl)NCc1ccc(CN2CCCCC2)cc1 7447858 ZGXPXSWYYRUQTH-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB Cc1ccccc1OCCC(=O)NCc1ccc(CN2CCCCC2)cc1 7447989 GCBMYEZYBFXGQV-UHFFFAOYSA-N 366.505 4.066 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3F)ccc2c1 7926634 PHLBRSMDBHTJEH-UHFFFAOYSA-N 352.409 4.058 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c(C)c1 7928055 ORSYJAVLNKRYDD-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 7928343 OIEUVZFCBFUKGQ-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1ccc(NCC(=O)Nc2ccc(Br)c(C)c2)c(F)c1 7973829 FRNYIQYRCPENMR-UHFFFAOYSA-N 351.219 4.256 0 40 FIAB CCCn1c(SCc2ccc(OC)c(F)c2)nc2ccccc2c1=O 8195192 LKYMTKRUTYOTPN-UHFFFAOYSA-N 358.438 4.247 0 40 FIAB COc1ccc(CN(C(=O)Nc2ccccc2)c2ccccn2)cc1OC 8586627 DNWCAQLSNCIXJM-UHFFFAOYSA-N 363.417 4.338 0 40 FIAB Cc1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)no1 8721367 ITBLLIBHBQBYHG-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB CCn1c(SCC(=O)N[C@H](C)c2ccc(F)cc2)nc2ccccc21 8807591 BVICPCHNFYQQKG-CYBMUJFWSA-N 357.454 4.165 0 40 FIAB Cc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c1O 8971044 FHIVLXUEHRFBTJ-UHFFFAOYSA-N 361.323 4.362 0 40 FIAB COc1cccc(CN(C)C(=O)c2ccc(OCC(C)C)c(OC)c2)c1 9742203 GUTVMZZWGLEMSA-UHFFFAOYSA-N 357.450 4.011 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N(C)C)cc1 10017947 UWRBRSBRLUORDC-KRWDZBQOSA-N 350.384 4.047 0 40 FIAB CCCCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10365134 QGWDKTNPHHUHTK-UHFFFAOYSA-N 374.506 4.024 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)NC1CC(C)(C)NC(C)(C)C1 11422902 PKIKOCMRFZKTJQ-UHFFFAOYSA-N 363.552 4.219 0 40 FIAB O=C(c1cccs1)N1CCc2[nH]c3c(Br)cccc3c2C1 12391818 IYHYWDLYGSYHJD-UHFFFAOYSA-N 361.264 4.190 0 40 FIAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1c[nH]nc1-c1ccccc1 12520619 NKXCJXHQYMEWJH-UHFFFAOYSA-N 363.348 4.228 0 40 FIAB Cc1cc(C)c(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(C)c1 12578344 OFURDOXBHRBTAX-LJQANCHMSA-N 363.461 4.231 0 40 FIAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1cccc(F)c1 12756802 CAIBBACBJJHUDA-NRFANRHFSA-N 366.461 4.473 0 40 FIAB Cc1ccc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c(Cl)c1 12798900 LLPKBOGDDJZIAO-UHFFFAOYSA-N 366.795 4.075 0 40 FIAB Cc1cccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)c1 12800911 QCCDZNXSEKJZRH-UHFFFAOYSA-N 370.499 4.108 0 40 FIAB Cc1ccc(C)c(SCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 12863511 HFDJMMJZIDLJAQ-UHFFFAOYSA-N 370.518 4.109 0 40 FIAB Cc1ccc(C)c(NC(=O)CN(C)Cc2ccccc2OC(F)(F)F)c1 12905604 JKBQUWSWCJJBQE-UHFFFAOYSA-N 366.383 4.273 0 40 FIAB CCCOc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)cc1 12925155 OKUQCQOMGPUWPF-CQSZACIVSA-N 355.434 4.450 0 40 FIAB Cc1ccc(-c2nnc(SCc3cc(F)cc4c3OCOC4)o2)cc1 14134511 RETIENQTYNRVMT-UHFFFAOYSA-N 358.394 4.343 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 14400190 JPKYDIQKZJTDSD-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1cc(F)ccc1F 14803587 ZLIAKNOBGZEFGR-UHFFFAOYSA-N 364.348 4.490 0 40 FIAB COc1ccc(-c2cc3nc(C)cc(NCCC(C)C)n3n2)cc1OC 15670899 NSVLJVDLXIKROK-UHFFFAOYSA-N 354.454 4.180 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 16281488 NETXLFOKCRWXMF-SFHVURJKSA-N 354.519 4.133 0 40 FIAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 21555413 KXSYEAYFBFCFGT-JNCPLXCYSA-N 368.521 4.007 0 40 FIAB O=C1CN(C(=O)c2ccc(C3SCCCS3)cc2)c2ccccc2N1 22064509 WKFNECZNLQAGRY-UHFFFAOYSA-N 370.499 4.154 0 40 FIAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 23294998 BPVLGKITWZXZKU-GOSISDBHSA-N 374.912 4.199 0 40 FIAB COc1ccc([C@H](CNC(=O)CC(C)C)c2c[nH]c3ccccc23)cc1 23573152 IEELYZHSKBEFLS-IBGZPJMESA-N 350.462 4.471 0 40 FIAB CCN(CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C(F)(F)F)cc1 24338407 DKURJLCTHNDVOF-UHFFFAOYSA-N 366.383 4.175 0 40 FIAB CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 24968726 QXPCNXFGIJWQGC-UHFFFAOYSA-N 362.433 4.345 0 40 FIAB C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C[C@H](C)O1 25703143 QBMPFJGFYFZFNI-GJZGRUSLSA-N 374.868 4.180 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H](C)[C@H]2Sc3ccccc3NC2=O)cc1 27233111 SAMRIAXKPKZKQJ-FZKQIMNGSA-N 354.475 4.498 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCC2(N(C)C)CCCCC2)cc(C)c1Cl 27581384 ZZGRLJFRRHYJOM-MRXNPFEDSA-N 366.933 4.105 0 40 FIAB O=C(Nc1cc(-c2ccc(Br)cc2)no1)c1ccccc1F 27747446 ZHPZZEFOLQMTLC-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB CC1CCN(Cc2ccc(CNC(=O)C3(c4ccccc4)CC3)cc2)CC1 29358686 MRNVYDPKHMZRSR-UHFFFAOYSA-N 362.517 4.267 0 40 FIAB CN(C)[C@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1Cl 32755178 DNNZLQUKLXGWOE-FXAWDEMLSA-N 356.897 4.179 0 40 FIAB CCc1cccc(-n2nnc(-c3nsc(Nc4ccccc4)n3)c2C)c1 33175358 LLLKHFTTYIHBFX-UHFFFAOYSA-N 362.462 4.400 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(F)cc4)cnn32)cc1 35685037 SSCBSUQJVHRXQG-KRWDZBQOSA-N 364.380 4.169 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CSCc2ccccc2C)cc1OC 38755944 ZEVQHDNESXNYSY-OAHLLOKOSA-N 359.491 4.123 0 40 FIAB O=C(Nc1ccc(N2CCCC2)nc1)C1(c2ccc(F)cc2)CCCC1 40039492 PSHPOTDIXQUSTB-UHFFFAOYSA-N 353.441 4.271 0 40 FIAB CC[C@@H](C)NC(=O)Nc1ccc(Br)cc1Br 40098272 TUFGXJPNUBZVHL-SSDOTTSWSA-N 350.054 4.132 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)c(F)c2F)s1)c1ccsc1 40110717 ZGWNISBLFFPXGF-UHFFFAOYSA-N 354.378 4.465 0 40 FIAB CC(=O)Nc1cccc(CNC(=O)[C@@H](C)Sc2ccccc2Cl)c1 48356104 CGMXXMBRMLZJMN-GFCCVEGCSA-N 362.882 4.095 0 40 FIAB O=C(O)c1cnc(COc2ccc(Cl)cc2)nc1NCc1ccccc1 49469876 GECUMUOKAIUSFM-UHFFFAOYSA-N 369.808 4.019 0 40 FIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1F)CO3 55393805 WGYIZSSWAQERMC-UHFFFAOYSA-N 353.393 4.155 0 40 FIAB C[C@H](OCc1ccccc1)C(=O)NCc1ccc(-c2ccccc2F)o1 60276908 QNCCWYVXNNIASX-HNNXBMFYSA-N 353.393 4.307 0 40 FIAB CNc1nc2c(s1)[C@@H](c1cc(Br)ccc1F)CC(O)=N2 61719794 MKTORPBXAZAFCK-MRVPVSSYSA-N 356.220 4.210 0 40 FIAB Cc1noc(Cl)c1CCC(=O)NCCC12CC3CC(CC(C3)C1)C2 65540885 VKXOGWJEXGOPBX-UHFFFAOYSA-N 350.890 4.292 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)N[C@@H](C)c3oc4ccccc4c3C)C2)n1 69439945 XAHMTNKNIJOEHS-DZGCQCFKSA-N 368.437 4.083 0 40 FIAB COc1ccc(C2(C(=O)Nc3nc(C(C)(C)C)cs3)CCOCC2)cc1 71286340 NQXYHJACKLVQQL-UHFFFAOYSA-N 374.506 4.136 0 40 FIAB COc1ccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)C(C)C)C3)c2)cc1 72353827 CMEIUDYENARWNO-FQEVSTJZSA-N 366.505 4.351 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C)n(C3CC3)c2C)c(OC)c1 84079478 OLPJUZXLBBYIQZ-FQEVSTJZSA-N 368.477 4.434 0 40 FIAB Cc1nc(C2(NC(=O)c3cc(C)n(C4CC4)c3C)CCCCCC2)no1 84079503 ZXQWFOIJYXGVKS-UHFFFAOYSA-N 356.470 4.111 0 40 FIAB Cc1ccc(-c2noc([C@@H](C)N3CC[C@H](Nc4ccccc4)C3)n2)cc1F 84185368 XBIMOBQCOAJXSD-QAPCUYQASA-N 366.440 4.432 0 40 FIAB NC(=O)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)cc1 84437008 MSDQBJUXAHZPAF-KRWDZBQOSA-N 370.861 4.020 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NCC[C@H](O)c1cc(C)oc1C 85561674 SIYVCRPRJZIDEN-IBGZPJMESA-N 367.445 4.302 0 40 FIAB Cc1nc(N2CCC3(CCCN3C)CC2)c2c(CC(C)C)csc2n1 95460529 GBGHEBJGZCJNNB-UHFFFAOYSA-N 358.555 4.263 0 40 FIAB O=C(c1ccccc1Cl)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096583 PGEIDASJARLQQK-UHFFFAOYSA-N 373.865 4.471 0 40 FIAB CCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cccc(F)c21 100823755 KVYKLEUWZHACJK-JZJYNLBNSA-N 357.435 4.213 0 40 FIAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1cccc(Cl)c1 207969380 JABXXLDYNBKLCR-SFHVURJKSA-N 357.862 4.413 0 40 FIAB C[C@H](NC(=O)c1cnc(-c2cccc(F)c2)nc1)c1ccc(Cl)cc1 222626917 UBCUNKUJMCKYQD-LBPRGKRZSA-N 355.800 4.427 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@H](C)Sc2ccccc2)s1 222945505 PRFWLVIZADPDFZ-NSHDSACASA-N 353.538 4.406 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1cccc(OC)c1 222964638 PBCLUGWURRVHDF-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB COc1cccc2cc(C(=O)NCCOc3ccc(C)c(Cl)c3)oc12 224147662 ZFZQFTVIOVFMPB-UHFFFAOYSA-N 359.809 4.212 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)NCCc3ccccc3)o2)cc1 224855932 LMFDSVHGKDJIEV-UHFFFAOYSA-N 364.445 4.032 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2cc(C)ccc2C)c1C 225536563 FDLPCVRGPJWCOA-HNNXBMFYSA-N 356.491 4.446 0 40 FIAB COc1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1 225614565 IGYCIRURPWITKR-UHFFFAOYSA-N 364.511 4.444 0 40 FIAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 225728709 ICGSXNXOMCFWEG-STQMWFEESA-N 357.926 4.134 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225799621 CXMBQKPAGHBKKW-XOBRGWDASA-N 365.470 4.184 0 40 FIAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c3c(cccc13)CC2 226862391 YFIFPUIRSBAQKL-UHFFFAOYSA-N 351.471 4.462 0 40 FIAB O=C(c1cnco1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257233336 GOVYUUDZXNVDCV-MRXNPFEDSA-N 371.824 4.274 0 40 FIAB O=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257238231 HKBPXNWMRHRZFW-INIZCTEOSA-N 353.447 4.089 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccc(OC)c3OC)N21 260762655 HAARGAYJLMNQEX-BVGQSLNGSA-N 369.490 4.078 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)C(=O)NC[C@H](C)c2ccccc2)CC1 408707564 OJMYDRZNSSUKFQ-IVMQYODDSA-N 358.526 4.018 0 40 FIAB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccco3)OC2=O)cc1 408838562 GDNYOLBZZQIQJC-GHRIWEEISA-N 373.364 4.152 0 40 FIAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2F)c1 408842117 LYEWXPLTXWRINJ-XSFVSMFZSA-N 357.388 4.364 0 40 FIAB Cc1cc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)ccc1Oc1cccnc1 639425337 NTFDIBPXAZRRHV-LJQANCHMSA-N 367.493 4.437 0 40 FIAB C[C@@H](NC(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1)c1cscn1 666069934 PGXCEBMAWOCCDM-SNVBAGLBSA-N 371.384 4.091 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 895386 PYASDFJEFGLLDY-UHFFFAOYSA-N 357.793 4.081 0 40 FIAB biogenic COc1ccc(CN(C(=O)c2cccs2)c2nccs2)cc1OC 933405 QEJHONONXRCSCA-UHFFFAOYSA-N 360.460 4.069 0 40 FIAB FC(F)(F)COc1ccc(OCC(F)(F)F)c(-c2csnn2)c1 1035024 BPUFTQZDWMUMQF-UHFFFAOYSA-N 358.263 4.087 0 40 FIAB CC(C)CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 1608970 BCYBTICYDFTMET-UHFFFAOYSA-N 369.505 4.098 0 40 FIAB Cc1ccccc1N1C(=O)c2ccc(N3Cc4ccccc4C3)cc2C1=O 3097706 KOFAXOQUABYHED-UHFFFAOYSA-N 354.409 4.316 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(N)s2)c2ccccc2)c1 3221810 HPCHOJFEBOGXEJ-OAHLLOKOSA-N 370.503 4.209 0 40 FIAB COc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1OC 3304590 WOIUKMHJDKTXNM-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2 3473902 GXRVAQXZWZMVRX-UHFFFAOYSA-N 355.337 4.165 0 40 FIAB Cc1c(-c2ccccc2)c(=O)oc2cc(OCC(=O)OC(C)(C)C)ccc12 4340220 VRKRHHLYUKYHTO-UHFFFAOYSA-N 366.413 4.489 0 40 FIAB biogenic COc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2Cl)cc1 5451260 SQMMTSFAJMJYIB-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(COc2ccccc2)cc1 6336635 IAAMLGFZOXPJMM-UHFFFAOYSA-N 361.397 4.289 0 40 FIAB CC(=O)NCCCCCc1nc2ccccc2n1Cc1ccc(F)cc1 6743454 IQYUHTFFKYPEFU-UHFFFAOYSA-N 353.441 4.073 0 40 FIAB Cc1ccccc1-n1nnnc1SCc1csc(-c2ccsc2)n1 7587793 SSWBCDQMNKROAL-UHFFFAOYSA-N 371.516 4.448 0 40 FIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1=Cc2ccccc2OC1 8132092 YBWXZJLSMUAATF-UHFFFAOYSA-N 373.437 4.477 0 40 FIAB CCn1c(S)nnc1COc1ccc2cc(Br)ccc2c1 8339801 RTGGTZPUNQJJNY-UHFFFAOYSA-N 364.268 4.081 0 40 FIAB O=C(CSc1ncnc2sccc12)N[C@H]1CCSc2ccccc21 8344879 QCQBQBMWQDBCCW-ZDUSSCGKSA-N 373.528 4.137 0 40 FIAB C[C@@H]1Oc2c(C(=O)NCc3ccccc3CN3CCCC3)cccc2[C@@H]1C 8389202 RPJZVWPRBTXCKE-SJORKVTESA-N 364.489 4.097 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCc4ccccc4C3)cc12 8718268 AOJLFXIHGFINFR-UHFFFAOYSA-N 353.491 4.261 0 40 FIAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2nccc3ccccc23)cc1 8720573 NXCKWEDBRFSSGX-HNNXBMFYSA-N 354.475 4.227 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 9064109 IWJYSNPPJJQHCX-UHFFFAOYSA-N 357.410 4.103 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)cc2c1C 9552035 VAIKXYPPNCJSHC-GFCCVEGCSA-N 371.824 4.017 0 40 FIAB O=C(Cn1ccnc1)Nc1ccc(Oc2ccc(Br)cc2)cc1 10809636 BMMKBTBYHHBMQY-UHFFFAOYSA-N 372.222 4.077 0 40 FIAB COc1cc(OC)c(OC)cc1CN1CCCCC[C@@H]1c1cc(C)no1 12120284 PHVVWTNDFLHGEK-MRXNPFEDSA-N 360.454 4.126 0 40 FIAB O=C(NC1(c2ccccc2)CCCC1)c1ccc(-n2cnnc2)cc1Cl 12148405 YKDAZTMYMCCELH-UHFFFAOYSA-N 366.852 4.120 0 40 FIAB CSc1ccc(OCc2nnc(-c3ccc(Br)o3)o2)cc1 12700937 KPSHAEGWIOQHQC-UHFFFAOYSA-N 367.224 4.393 0 40 FIAB C[C@@H](NCc1ccccc1CN1CCCC1)c1nnc(-c2ccccc2)o1 12739484 IYIVUMUMOKOSKF-QGZVFWFLSA-N 362.477 4.183 0 40 FIAB CN(C(=O)/C=C/c1ccc2c(c1)OCCCO2)c1nc2ccccc2s1 12788744 ZZZONFSVCPEAPJ-CSKARUKUSA-N 366.442 4.134 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@H]1C(F)(F)F 12812059 GATBTVGJJWTSMR-ZYHUDNBSSA-N 353.743 4.095 0 40 FIAB Cc1[nH]nc2c1[C@H](c1cccc(F)c1)N(CCc1c[nH]c3ccccc13)C2=O 13736452 ZQLMCCKSZNEBTG-NRFANRHFSA-N 374.419 4.126 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c2ncccc12 15840691 DYHYQIGRKWTFKY-QGZVFWFLSA-N 354.381 4.179 0 40 FIAB O=C(Cn1nc(-c2cccs2)oc1=O)c1ccc2c(c1)-c1ccccc1C2 16461898 GDXOWKPEPKCSEK-UHFFFAOYSA-N 374.421 4.019 0 40 FIAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OC(C)C 16688294 CMERKOOZGOIUHY-GOSISDBHSA-N 360.841 4.380 0 40 FIAB O=C(c1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19907574 YQMRGQUZHBLFSH-UHFFFAOYSA-N 374.459 4.373 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 20047836 LXMJOIUDCFOYHY-QGZVFWFLSA-N 368.477 4.239 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 21596367 RIVSROKEKIXROA-UHFFFAOYSA-N 353.447 4.354 0 40 FIAB COc1ccc(CCC(=O)NCCCc2ccc(Cl)cc2)cc1OC 22518827 AKJQHKKCZFEBPQ-UHFFFAOYSA-N 361.869 4.039 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1ccccc1Cl 22689711 PHRIBMFJNBFJDL-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB Cc1cccc([C@@H]2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@@H]2CO)c1C 26421348 ZYWHAHLJZWOSNE-DKSSEZFCSA-N 365.256 4.333 0 40 FIAB NC(=O)c1ccc(CN(Cc2csc(-c3ccccc3)n2)C2CC2)cc1 26927750 IGTDXXUIYSOXED-UHFFFAOYSA-N 363.486 4.074 0 40 FIAB C[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)C1 26959486 RKAITYXQBVEEOA-AWEZNQCLSA-N 356.853 4.464 0 40 FIAB Fc1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)c1 27546240 SXJWLZYFLOBRSF-UHFFFAOYSA-N 368.391 4.237 0 40 FIAB Cc1ncc(-c2ccc(NC(=O)c3cnn(Cc4ccccc4)c3)cc2)o1 29232785 LCDXWJRLFDSQHH-UHFFFAOYSA-N 358.401 4.147 0 40 FIAB C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)s2)o1 30368797 JEMXEVMFGDUWOX-GXFFZTMASA-N 371.911 4.471 0 40 FIAB COC(=O)c1cc(NC(=O)CSCc2ccc(F)cc2)ccc1Cl 31056166 NNLKZNMUWTWLJT-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB Cc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)c(Cl)c1 32119032 VGDANQXDCJNPDB-UHFFFAOYSA-N 362.926 4.077 0 40 FIAB CCn1c(SC(=O)NCc2ccc(Cl)cc2)nnc1-c1ccccn1 32564922 VDPXRINGQYZNQI-UHFFFAOYSA-N 373.869 4.015 0 40 FIAB Cc1nc(CSCCC(=O)Nc2ccc(N3CCCC3)cc2)cs1 32796631 BGJHYUCUTVKYDP-UHFFFAOYSA-N 361.536 4.314 0 40 FIAB COc1ccc(Cl)cc1CC(=O)Nc1cccc(-n2nc(C)cc2C)c1 32915525 AOHBSFPRJKMFBB-UHFFFAOYSA-N 369.852 4.332 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C 36616517 LBMMWULFXLIKTI-UHFFFAOYSA-N 360.392 4.335 0 40 FIAB COc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 36739815 OHEGPIBXEXUNGY-FQEVSTJZSA-N 374.440 4.195 0 40 FIAB CSc1ccc(-c2noc(-c3cn(C)c4ccc(C)cc4c3=O)n2)cc1 38487634 RODWMYWNIPTCHA-UHFFFAOYSA-N 363.442 4.286 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1cccc2cccnc12)c1ccsc1 40089494 SLWVDIMZEDVMDE-GOSISDBHSA-N 353.491 4.109 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 40107068 XNPKEZAFLBTNGW-UHFFFAOYSA-N 352.365 4.203 0 40 FIAB O=C1CCSc2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2N1 40107765 AHTMUNHILUHVEJ-OAHLLOKOSA-N 358.488 4.160 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccco1 44900904 UPQIXRPPPPMPEX-MRXNPFEDSA-N 353.871 4.140 0 40 FIAB C[C@H](NC(=O)Nc1cccc(COCc2ccco2)c1)c1ccccn1 47602766 NFKJVDMMCOVWHA-HNNXBMFYSA-N 351.406 4.274 0 40 FIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2[nH]ccc2c1 51315260 VPDNXCGWJKGVFN-UHFFFAOYSA-N 353.765 4.228 0 40 FIAB C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccc2ccccc12 57286287 LXZKBVFFPHEXOC-MRXNPFEDSA-N 362.477 4.441 0 40 FIAB CC(=O)Nc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CCCC2)c1 58283616 XRLSFBWWUQJAMZ-UHFFFAOYSA-N 356.853 4.498 0 40 FIAB Cc1ccc(OC(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cn1 64699317 CLHIHVBHLGOLGH-QPJJXVBHSA-N 371.286 4.212 0 40 FIAB CC(=O)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215436 VFNQPGCIELDMJM-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB COc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 72348954 MHZQGIQQICLSKY-FQEVSTJZSA-N 373.500 4.456 0 40 FIAB C[C@](O)(CNC(=O)c1c(F)cccc1F)c1ccc(-c2ccccc2)cc1 75155391 JNHGJNQTOPXXDF-QFIPXVFZSA-N 367.395 4.269 0 40 FIAB Cc1ccc2sc(CCNC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3F)nc2c1 79053754 QCKGXZANHLUZKH-QWHCGFSZSA-N 372.440 4.345 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)Nc2cnc(C(C)(C)C)nc2)c1 84325235 ZCTXHQICXUGDHZ-QGZVFWFLSA-N 354.454 4.152 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2ccc(Br)cc2)C1 89212633 ABCHPJDDXOCSMR-AWEZNQCLSA-N 355.276 4.261 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 95351309 OJYJQRKJGJLXPA-UHFFFAOYSA-N 370.412 4.441 0 40 FIAB C[C@H](N)c1sc(Br)c(Br)c1Br 96525479 NSBXAVICYCLWQN-REOHCLBHSA-N 363.900 4.055 0 40 FIAB COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccccc3Cl)OC1=O)=C2 96939573 KXRNRGJVZLVYAD-RQZCQDPDSA-N 367.788 4.012 0 40 FIAB O=C(N1CCC([C@H](O)c2ccccc2)CC1)C1(c2cccc(F)c2)CCC1 96997956 ABXSZYXBJOVNIO-OAQYLSRUSA-N 367.464 4.220 0 40 FIAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc3c(s2)CCCCC3)CCC[C@H]1C 105114789 TVEUJATXEMQPRR-YCPHGPKFSA-N 363.523 4.115 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccc(CN3CCCC3=O)cc1)C2 107326643 WICZOVDHEZVUKS-SPEDKVCISA-N 355.478 4.181 0 40 FIAB CCN1CCC[C@H]1CNC(=O)[C@H](C)Sc1cc(Cl)ccc1Cl 107491572 NIWMPJLGBVVWCV-AAEUAGOBSA-N 361.338 4.075 0 40 FIAB CC(C)[C@H](C(=O)Nc1nc2c(ccc3ccccc32)s1)N1CCCC1=O 109687957 NNFJORVKAKMCSM-GOSISDBHSA-N 367.474 4.035 0 40 FIAB O=C(C[C@H]1OCCc2ccccc21)NCCc1c[nH]c2cc(Cl)ccc12 115349636 ASDRELHHOYOGJC-HXUWFJFHSA-N 368.864 4.184 0 40 FIAB CCc1ccc([C@@H]2COCCN2C(=O)N[C@@H]2CCCc3sccc32)o1 136622806 SDEQKRFQRZHVFZ-CVEARBPZSA-N 360.479 4.064 0 40 FIAB Ic1cccc(-c2nnc(-c3cccs3)o2)c1 216669256 CEOIZJYWFRWLRU-UHFFFAOYSA-N 354.172 4.070 0 40 FIAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 218957229 YLAODPGDAUKZNN-IBGZPJMESA-N 369.461 4.055 0 40 FIAB CC(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223744709 ONQMYVXGEVLLPH-UHFFFAOYSA-N 373.518 4.392 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 224086009 LLCSRPDJBMQXLD-GOSISDBHSA-N 363.457 4.419 0 40 FIAB Cc1cccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 224196704 YFZCTGRZALRCMG-GOSISDBHSA-N 351.490 4.390 0 40 FIAB CCOc1ccc(CNC(=O)Cc2ccc(Cl)cc2F)cc1OCC 224514941 QYUKBOCLWQYOKJ-UHFFFAOYSA-N 365.832 4.135 0 40 FIAB CCOc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1 225449235 ZSRFOQZMNZPMJA-UHFFFAOYSA-N 366.490 4.066 0 40 FIAB C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1 225474627 BGTCRWRLVYUELB-ZDUSSCGKSA-N 357.454 4.000 0 40 FIAB CO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 225635201 QLUUQENQDOSFIU-PGRDOPGGSA-N 374.525 4.085 0 40 FIAB O=C(NCc1cccnc1-c1cccnc1)NCc1cccc2ccccc12 225643691 BQQLRYGURWASLG-UHFFFAOYSA-N 368.440 4.296 0 40 FIAB COC(=O)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 226343961 LZMNRFDLBDOGAN-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB O=C(c1ccccn1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257315134 VAADQLATJRMMSN-SFHVURJKSA-N 367.836 4.291 0 40 FIAB Cc1sc2nc(-c3ccc(O)c(Br)c3)nc(O)c2c1C 408735852 YNSYTVGAAIJWNU-UHFFFAOYSA-N 351.225 4.149 0 40 FIAB CN(Cc1ccccc1)C(=O)CSCc1ccc(Br)cc1 409382541 SRHCJRIYXNMIDB-UHFFFAOYSA-N 364.308 4.341 0 40 FIAB COc1cccc2cc(C(=O)N3CCS[C@H]3c3ccccc3F)oc12 1775966593 NRKFOGNYVHXAHQ-IBGZPJMESA-N 357.406 4.468 0 40 FIAB C[C@@H]1CCc2c(sc3ncn4c(SCc5ccccn5)nnc4c23)C1 929666 VZNWJTKNPUXWHY-LLVKDONJSA-N 367.503 4.151 0 40 FIAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)o1 1032521 WXJOPRBBUNWZIF-UHFFFAOYSA-N 368.355 4.004 0 40 FIAB CCCCN(CCCC)CC(=O)c1ccc(I)cc1 1593681 MEYMGSVWDDMIEM-UHFFFAOYSA-N 373.278 4.376 0 40 FIAB CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 2461003 BYUANIFUTZBENL-UHFFFAOYSA-N 367.398 4.175 0 40 FIAB O=C(NCc1ccccc1)c1cc(-c2ccc(Br)cc2)on1 2465531 IUULADFFNLQDIF-UHFFFAOYSA-N 357.207 4.034 0 40 FIAB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1cccc(Cl)c1Cl 2622975 WIZYTFPCFCRUAD-VIFPVBQESA-N 367.261 4.155 0 40 FIAB CCc1cc2c(SCC(=O)c3ccc(OC)c(OC)c3)ncnc2s1 2629877 JZIIBTBTHXQQKC-UHFFFAOYSA-N 374.487 4.246 0 40 FIAB COc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)c1 2723680 JJRSIZPTRSOJLO-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 3445848 XEBJTMFNMMXFMV-KRWDZBQOSA-N 362.832 4.181 0 40 FIAB C[C@@H](OC(=O)c1ccco1)C(=O)N(Cc1ccccc1)Cc1ccccc1 3514612 YLSNOQNYQRVPJT-QGZVFWFLSA-N 363.413 4.054 0 40 FIAB O=C1N[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)Nc2ccccc21 3530044 CTHHXXYFGDTQHP-QFIPXVFZSA-N 366.424 4.393 0 40 FIAB CN1[C@H]2CC[C@@H]1C=C(N(CCc1ccccc1)C(=O)c1ccc(F)cc1)C2 4016847 QNDXPYLMSWGOGQ-RTWAWAEBSA-N 364.464 4.261 0 40 FIAB CCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(Cl)cc1 4120060 CKZPGYNDOZIKNJ-UHFFFAOYSA-N 374.893 4.484 0 40 FIAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(Cl)cc1 4484656 VHZKBYUPYZGMSI-LBPRGKRZSA-N 372.881 4.037 0 40 FIAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 4616790 QUWCLTQEVDYAPW-AWEZNQCLSA-N 354.425 4.115 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3cccs3)nnc21 5185758 LPAWGAGSJWXQLM-UHFFFAOYSA-N 366.837 4.154 0 40 FIAB COc1ccccc1[C@H](CCN[C@@H]1C[C@H](C)N(C)C[C@H]1C)c1ccco1 5478521 IRQFLDPUVMQMKX-LCLWPZTBSA-N 356.510 4.129 0 40 FIAB C[C@H](Nc1cccc(Br)c1)C(=O)Nc1ccc(F)c(F)c1F 5689031 RXHQWTPPGMNTPS-QMMMGPOBSA-N 373.172 4.306 0 40 FIAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(F)cc1 5777203 DYDRMUCQCNTIQE-UHFFFAOYSA-N 366.373 4.308 0 40 FIAB CC(C)CCNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 6650609 YSPDXBSLQVPYLA-LJQANCHMSA-N 372.896 4.364 0 40 FIAB CCCCn1nnnc1NCc1ccccc1OCc1ccccc1Cl 7262218 AMJORUMRZMBDKN-UHFFFAOYSA-N 371.872 4.318 0 40 FIAB O=C(O)/C(=C/c1ccccc1O)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603271 MBFDURYARCIBNX-ZROIWOOFSA-N 373.821 4.049 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(Br)cc2Cl)c1 7748470 PQSIFSPOMGKDMG-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCc1ccccc1-3 8036211 PJOXIZQHFNMAQL-UHFFFAOYSA-N 361.426 4.003 0 40 FIAB COc1ccc(C[C@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 8117426 MPWZFRXPMQZDRZ-MRXNPFEDSA-N 361.850 4.155 0 40 FIAB Cc1ccc(-c2nc(-c3ccc4c(c3)CCN4S(C)(=O)=O)cs2)cc1 8225507 GHVRXMZRLREFLU-UHFFFAOYSA-N 370.499 4.108 0 40 FIAB CCOc1ccc(CCNC(=O)c2ccc3ccccc3n2)cc1OCC 8352174 PDYICGHBYCZARH-UHFFFAOYSA-N 364.445 4.005 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)c1 8734153 HZPMUEWXEOLZBJ-UHFFFAOYSA-N 370.355 4.394 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1ncccn1)c1ccccc1 9483145 WIIDPMLNXYUMFY-SFHVURJKSA-N 365.458 4.266 0 40 FIAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cccnc3)ccc2o1 9659981 QJYQCKQAEBILTB-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)nc1 10215125 RPADLWXOSKURJV-GCJKJVERSA-N 371.396 4.053 0 40 FIAB CCN(CC)CCNc1ncc(-c2ccccn2)c(-c2cccs2)n1 12222115 HNCHZHWQCSMZKS-UHFFFAOYSA-N 353.495 4.021 0 40 FIAB Cc1ccc(C)c(Cn2nc(-c3ccco3)c(-c3cc(C)no3)cc2=O)c1 12251570 DVOALZSPOPCESO-UHFFFAOYSA-N 361.401 4.132 0 40 FIAB Clc1ccc(COc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 12390905 FSJZNJDEWGZFDQ-UHFFFAOYSA-N 356.838 4.060 0 40 FIAB C[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12824006 ZMWDQOZHUJPDBR-ZLENFMNRSA-N 373.378 4.443 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 12849298 FXWOCGFOTBRGNZ-UHFFFAOYSA-N 363.841 4.028 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 12924266 HARYSYAVKJMDCH-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB O=C(CSc1ccccc1)Nc1ccnn1Cc1ccccc1Cl 12953676 JHNAGGVRDDGRJD-UHFFFAOYSA-N 357.866 4.316 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc(OC(C)C)cc1)O[C@H](C)C2 12975552 LTPIOLXSOPUKLZ-CQSZACIVSA-N 355.434 4.448 0 40 FIAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1cccc(Cl)c1 13049784 RWUXLCIAPCRYLX-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1Cl 13684320 HYBHFVIYACOMGH-UHFFFAOYSA-N 374.868 4.194 0 40 FIAB C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc2ccccc2c1 14116439 AGZUGQQOFUFKAM-MRXNPFEDSA-N 362.477 4.441 0 40 FIAB CCCCOc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 14198975 RVUATFZWAHPAEC-UHFFFAOYSA-N 363.461 4.040 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccc(Br)cc2)o1 16047626 DDINGPLPNOCVOK-IZZDOVSWSA-N 370.206 4.151 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)c1 16297676 VRVSLLJVFMQBID-UHFFFAOYSA-N 363.486 4.081 0 40 FIAB COc1ccccc1CNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 17120423 PAIMEZCMVKJFJL-UHFFFAOYSA-N 359.433 4.053 0 40 FIAB CC(=O)Nc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 18138101 VSSINRSQWBTNSA-UHFFFAOYSA-N 369.368 4.353 0 40 FIAB Cc1ccc([C@H](NC(=O)Cc2ccc3c(c2)C[C@@H](C)O3)c2ccncc2)cc1 19136796 MZCKMSJZYIEJRQ-OSPHWJPCSA-N 372.468 4.162 0 40 FIAB CCCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 19943224 ZUXKKSMGYYWPKM-OKILXGFUSA-N 359.919 4.186 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)ccc1Cl 21806641 RFEATWHJNOTZGY-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2cccc3ccccc23)N2CCCC2)cc1 21911993 APQLREHTPAZSOL-HSZRJFAPSA-N 374.484 4.415 0 40 FIAB biogenic O=c1oc2ccccc2n1CN1CCCC[C@@H]1c1nc2ccccc2s1 21933209 UUOLHKKMDQUDFH-MRXNPFEDSA-N 365.458 4.389 0 40 FIAB COc1ccc(CC(=O)N[C@H](c2ccccc2)c2nc3ccccc3[nH]2)cc1 22260105 DPMFPCONKDIGSC-JOCHJYFZSA-N 371.440 4.020 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc(F)cc1F 22844646 IJRYTVSTUCUWEJ-UHFFFAOYSA-N 360.404 4.155 0 40 FIAB Cc1ccc(OCCCC(=O)NCc2ccccc2CN2CCCC2)cc1 24189768 RCSXVFAWJBRKAU-UHFFFAOYSA-N 366.505 4.066 0 40 FIAB CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCc2ccccc21 27822261 KCJRMXUGBZUHPU-YOCVDRLZSA-N 369.848 4.270 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1cnn(Cc2cccc3ccccc23)c1 28220938 LJZCFNSJTLPHNL-UHFFFAOYSA-N 359.404 4.405 0 40 FIAB CCOCc1ccccc1CNC(=O)N[C@@H](C)c1cc(C)ccc1OC 28347090 QDVYALRHFDXCOW-INIZCTEOSA-N 356.466 4.101 0 40 FIAB Nc1c(Cl)cc(NC(=O)CCCc2nc3ccccc3[nH]2)cc1Cl 29259824 QCJHSJAEKKLIBK-UHFFFAOYSA-N 363.248 4.413 0 40 FIAB O=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(Cl)c1Cl 30656930 DPGWTZAROJVUPI-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB CC(C)(C)Nc1nnc(SCc2nc(Cc3ccccc3)no2)s1 31654532 JSVYWTYWMSCUQN-UHFFFAOYSA-N 361.496 4.015 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)Nc1cc(Cl)ccc1O 32089512 JWZPPBSLIXYOPF-UHFFFAOYSA-N 350.852 4.412 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)C1(c2ccccc2)CCCC1 32467176 OBXWBALEQQSYFD-UHFFFAOYSA-N 359.473 4.060 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2NC1=O 32502870 DHTLEZNLSPJVFN-SECBINFHSA-N 366.895 4.106 0 40 FIAB CC(=O)c1ccc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)s1 32776797 QWVIDULGJHUDBJ-UHFFFAOYSA-N 356.399 4.031 0 40 FIAB CN(Cc1ccccc1OC(F)(F)F)C(=O)NCCc1ccccc1F 32794876 GXHMTHGNCDILCU-UHFFFAOYSA-N 370.346 4.108 0 40 FIAB CNC(=O)Nc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1 32903370 BURKXVOZYRTYDY-UHFFFAOYSA-N 360.417 4.434 0 40 FIAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N[C@@H](C)CCC)c1CC 32910249 RVRDUHAAQMTOPF-HNNXBMFYSA-N 370.493 4.211 0 40 FIAB Cc1cccc(NC(=O)COc2cccc(-c3nc(C(C)C)no3)c2)c1 33012520 SIDSPXKWJASCKE-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB COC(=O)c1ccc(NC(=O)c2sc(-c3ccc(C)o3)nc2C)s1 33161833 IMFAHDXUFRXREN-UHFFFAOYSA-N 362.432 4.120 0 40 FIAB Cc1sc2nc(S[C@H](C)c3nc(C(C)(C)C)no3)nc(N)c2c1C 40068667 YIGVRGWDSPQVSG-SECBINFHSA-N 363.512 4.424 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[C@H]1c1ccsc1 40105558 MZDOQWSCKZSZCH-SFHVURJKSA-N 352.463 4.362 0 40 FIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@]1(C)CC1(Cl)Cl 40108445 XFSAJESHDDNTEG-NOZJJQNGSA-N 365.098 4.080 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(C)cc1 44902346 MNCMKEFLRFEYFF-KRWDZBQOSA-N 357.519 4.374 0 40 FIAB O=C(CSCc1ccccc1)Nc1cccc2ccc(-n3ccnc3)nc12 49028049 QUHTUAALBFVYFK-UHFFFAOYSA-N 374.469 4.292 0 40 FIAB c1ccc(-c2nnc([C@H]3CCN(Cc4cnc5ccccc5c4)C3)o2)cc1 49169290 WIJDNZCYTCRHJZ-IBGZPJMESA-N 356.429 4.274 0 40 FIAB biogenic,in-vitro FC(F)(F)c1ccc(SCc2csc(-c3ncccn3)n2)nc1 53544027 WHEGZYFOVPQODI-UHFFFAOYSA-N 354.382 4.306 0 40 FIAB Cn1c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2ccccc21 54665960 KPVMVPPUAHNDAE-LJQANCHMSA-N 351.425 4.009 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1ccc(C(=O)N2CCCCCC2)cc1 55741905 LEQFZNTYJQODJF-UHFFFAOYSA-N 354.425 4.023 0 40 FIAB Cc1nc(C)c([C@@H](C)NC(=O)/C=C/c2ccccc2OC(F)F)s1 56022208 JZGJCQPBKLCEBJ-ANYFNZRUSA-N 352.406 4.252 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1F 58092881 GEDMIWNJPGYISK-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB COc1ccc(C(=O)O[C@H](C)c2nc3ccccc3[nH]2)cc1OC(F)F 58105920 QMXKDDIQOGOEMH-SNVBAGLBSA-N 362.332 4.091 0 40 FIAB C[C@@H](c1ccc(F)cc1F)n1nnc(-c2cccc(C(F)(F)F)c2)n1 59927483 GOJZSWUCFNPTMM-VIFPVBQESA-N 354.282 4.246 0 40 FIAB Cc1cc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)o1 60346399 YDUZQPODGKAQPP-QGZVFWFLSA-N 367.232 4.170 0 40 FIAB Cc1ccc(-c2nc(C(=O)Nc3cc(-c4nnco4)ccc3C)cs2)o1 65488484 ZODYHGFXXLBWCQ-UHFFFAOYSA-N 366.402 4.322 0 40 FIAB C[C@H](COCC(F)(F)F)NC(=O)N1CCC[C@@H]1c1ccccc1Cl 67532864 LDEGXPUISSHYFE-BXUZGUMPSA-N 364.795 4.154 0 40 FIAB Cc1cccc(C[C@@H]2CC(=O)N(c3nc4cc(C)ccc4s3)C2=O)c1 71405912 NLBLAFURFACCOJ-OAHLLOKOSA-N 350.443 4.035 0 40 FIAB Cc1noc(C)c1CN1CCC2(CC1)C[C@@H]2c1nnc(-c2ccccc2)o1 71889673 VQQVUDUMMKVJLB-GOSISDBHSA-N 364.449 4.111 0 40 FIAB Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 72376792 ODSMFJHDERCLLA-LJQANCHMSA-N 358.445 4.093 0 40 FIAB CSc1ccc(/C=C/C(=O)NCC2(c3cccs3)CCOCC2)cc1 96120242 DNUKDRDCTMKHDE-RMKNXTFCSA-N 373.543 4.348 0 40 FIAB COc1ccc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)cc1Cl 96122573 HGLGLWLPOCXVFU-HNNXBMFYSA-N 371.824 4.097 0 40 FIAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 100424849 OJRLTGJWOJQRQF-SFTDATJTSA-N 366.480 4.450 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 103716125 AKZLRUVZKDYTLE-KRWDZBQOSA-N 366.461 4.082 0 40 FIAB O=C(NC1CCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 106860172 YFMDTFBYFSFHAO-CCKFTAQKSA-N 374.912 4.172 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2cccc3c2CCCC3)c1 222850253 KGHJLQGESJBBPC-UHFFFAOYSA-N 367.445 4.068 0 40 FIAB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 222968498 OASUYSLOVJCHQS-JKSUJKDBSA-N 353.462 4.219 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224270736 OSVKYYLLJRMTNA-HNNXBMFYSA-N 357.450 4.201 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)c(C)c1 224445932 OZJRIUBBEOXFSJ-LJQANCHMSA-N 361.869 4.309 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccccc2C)c(Cl)c1Cl 224609932 AMGQDWDWHXYXDF-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CCCOCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OCC 224707304 LFSFCROCYQKOMX-UHFFFAOYSA-N 373.449 4.281 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3F)o2)c(OC)c1 224867018 JTNHOYSZGRNXTR-UHFFFAOYSA-N 370.380 4.069 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1C 225171912 AFPQVRQGIUXURC-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccc(F)cc1 225189418 JGISFBPNXAXNIG-CYBMUJFWSA-N 368.437 4.456 0 40 FIAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NC3CCCC3)n2)cc1 225199365 MZYOAXNYRVESBQ-UHFFFAOYSA-N 371.510 4.156 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)N[C@@H](C)CC 225280979 SZTZMCJBFFBPEN-STQMWFEESA-N 373.324 4.425 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N[C@H](C)CC 225310891 QRIZAFBHCCUTMU-VXGBXAGGSA-N 359.297 4.035 0 40 FIAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C 225332252 DIDGEMVUPBYCAG-UHFFFAOYSA-N 361.507 4.338 0 40 FIAB Cc1cccc(Nc2cc([C@H]3CCCN3C(=O)c3cccc(C)n3)ccn2)n1 257284903 PEUFEJVHUCIBFV-LJQANCHMSA-N 373.460 4.209 0 40 FIAB O=C(Sc1nnc(-c2ccccc2)o1)c1ccccc1Br 408534763 WTSKOCWRQZMDGT-UHFFFAOYSA-N 361.220 4.432 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 408707539 KHTFHAFQWDHBES-CYBMUJFWSA-N 360.816 4.088 0 40 FIAB Cc1cccc(NC(=O)[C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)c1 408738934 XERRMMJMPHEGFO-GOSISDBHSA-N 372.468 4.270 0 40 FIAB COc1cccc2[nH]c(C(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cc12 524731785 KNGLXMCFSRFCAU-GOSISDBHSA-N 359.429 4.465 0 40 FIAB biogenic Cc1noc(C)c1Cc1nc(C2(c3ccc(F)cc3F)CCCC2)no1 565681845 DFRWCDRBVDKYMF-UHFFFAOYSA-N 359.376 4.404 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1csc2ccccc12 575621848 WCTSPOLKYHKECN-KRWDZBQOSA-N 360.429 4.212 0 40 FIAB OCCCN(Cc1ccccc1)Cc1ccc(CN2CCCCC2)cc1 1653771534 WZFDAQSTKXZTAM-UHFFFAOYSA-N 352.522 4.057 0 40 FIAB O=C(OC1CCCC1)N1CCC([C@@H]2CCCCN2Cc2ccncc2)CC1 2056225154 FVTAGGFVWOZQNJ-NRFANRHFSA-N 371.525 4.227 0 40 FIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(=O)OC)cc1 949560 METFACDQALNIRH-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 2238526 QBCOBKIIJIZOFF-UHFFFAOYSA-N 366.380 4.364 0 40 FIAB Cc1ccc([C@H]2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1 2425937 QKLRONQNEKFYLN-GOSISDBHSA-N 355.441 4.392 0 40 FIAB COc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 2685818 JCMGAXSQIBOSJA-SJLPKXTDSA-N 357.494 4.083 0 40 FIAB Cc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1 3445026 QPIIMIMDSUNDKD-UHFFFAOYSA-N 368.658 4.106 0 40 FIAB CC(C)c1nnc(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)s1 4174475 LJAOIPHWHADPJE-SECBINFHSA-N 364.521 4.391 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc(Br)cc3)ccc12 4747370 ISVSCNBEBKJAMY-UHFFFAOYSA-N 373.202 4.126 0 40 FIAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)C1CCC1 4880853 HGZJIPSTORQLOY-UHFFFAOYSA-N 360.885 4.280 0 40 FIAB COCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccc(C)c2)s1 4982540 HPISOTYJPVJMIQ-UHFFFAOYSA-N 367.474 4.115 0 40 FIAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CCSC)c1 5195448 SCIANXNUFDYGEB-AZUAARDMSA-N 354.475 4.318 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(C2SCCS2)cc1 5584190 DVIYMNLMLUFMRK-XJKSGUPXSA-N 351.537 4.239 0 40 FIAB COc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 6145559 JUCPGQZHAKFBFH-UHFFFAOYSA-N 370.327 4.375 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccn3)o2)cc1C 6627683 HHPQFCFUGMBVKK-UHFFFAOYSA-N 351.431 4.085 0 40 FIAB COc1ccc(Cc2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 6755482 FNXWXUUJIQWRSK-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB C[C@@H](Sc1nnc(-c2ccco2)n1C)c1nnc(-c2cccs2)o1 6846984 WRSSIJVNKYLZCY-SECBINFHSA-N 359.436 4.040 0 40 FIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(F)c(F)c1 7580365 QVHRXAJNUWAIGX-UHFFFAOYSA-N 362.401 4.260 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1 7601270 VVBVLKFOGYVRLY-UHFFFAOYSA-N 354.479 4.216 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1CN1CCCCC1 7850051 FLJXDGKUJNZWFZ-JLHYYAGUSA-N 352.453 4.141 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)c(OC)c1 8328794 QDYZCQOVWSDXIK-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB CN(C)[C@@H](CNc1nc(C(F)(F)F)nc2ccccc12)Cc1ccccc1 8726422 CFWXDBJCHDYMMO-OAHLLOKOSA-N 374.410 4.233 0 40 FIAB CN(CCCNC(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 9982220 NXKFVTNHLNZYJK-UHFFFAOYSA-N 351.277 4.245 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 9987041 IVXWLTYAOHQGEW-UHFFFAOYSA-N 357.837 4.084 0 40 FIAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C3CCCC3)cc2)n1 12257051 NEEYPJULSPTWSX-UHFFFAOYSA-N 372.472 4.320 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12795663 SNMHRFWVRSUHOV-IBGZPJMESA-N 351.446 4.388 0 40 FIAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(Oc2ccccc2)c1 12908427 UPWTWTHRLFOXPA-UHFFFAOYSA-N 360.369 4.026 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)c(F)c2)cc1 12988380 FBLOGSQFURFNGK-UHFFFAOYSA-N 356.426 4.002 0 40 FIAB CC(C)n1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1ccco1 13956427 CUDSLFBTAJEZMC-ZDUSSCGKSA-N 362.499 4.049 0 40 FIAB CC(C)CSc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 14095817 GQSDPEZUQJEVCL-UHFFFAOYSA-N 357.501 4.156 0 40 FIAB O=C(Oc1cccc(Cl)c1Cl)C1CCN(c2nccs2)CC1 14122255 IVFAICWHRGALKT-UHFFFAOYSA-N 357.262 4.272 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N[C@H](C)c2cc(C)ccc2C)cc1 14167162 GSBWCYMTUWBXNQ-OAHLLOKOSA-N 356.491 4.231 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14180493 PGXFMPPMRCCJHY-FQEVSTJZSA-N 374.440 4.373 0 40 FIAB CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 14258613 WOEDSMAWPZPCEI-UHFFFAOYSA-N 357.885 4.011 0 40 FIAB Cc1c(NC(=O)c2cccc(Oc3ccccc3)c2)cccc1-n1cnnn1 15999854 MXFVMAXOPSDJIK-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB Cc1ccccc1C(=O)Oc1ccccc1-c1cc(=O)n2c(n1)CCCCC2 16768641 SIZSUSSDFSAXFR-UHFFFAOYSA-N 374.440 4.164 0 40 FIAB COc1cccc(NC(=O)C2[C@H]3CC[C@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)c1 18098730 GICMNQCFHFYERH-WDFJATGCSA-N 354.277 4.490 0 40 FIAB Fc1ccc(OCc2cc([C@@H]3CCN(CCc4ccccc4)C3)n[nH]2)cc1 19738941 ZDXTVHJFVBLJGJ-GOSISDBHSA-N 365.452 4.160 0 40 FIAB CN1CCN([C@H]2Cc3ccc(Cl)cc3Sc3ccc(F)cc32)CC1 19802237 GPRZDPJGSSBXME-KRWDZBQOSA-N 362.901 4.475 0 40 FIAB Cc1ccccc1N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 19923775 BHJFEDGJGQPCTA-UHFFFAOYSA-N 363.383 4.368 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20145179 XELWYZDSVWDQJJ-LFYBBSHMSA-N 363.413 4.408 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1Cl 20495763 MCGLFBBOMYPHKM-NSHDSACASA-N 365.788 4.062 0 40 FIAB CCCCSc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)s1 22490390 KTFCRBJCGXXKPO-RYUDHWBXSA-N 359.586 4.217 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)Nc1ccccc1 22906840 ACDAAMCEVVEGFE-HXUWFJFHSA-N 361.445 4.201 0 40 FIAB O=C(c1ccccc1OC(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 24692387 OJWNNDDFVCFWIY-ZDUSSCGKSA-N 372.371 4.449 0 40 FIAB Cc1nn(C)c(C)c1CCC(=O)Nc1cc(Cl)ccc1N1CCCCC1 25272632 VZETWQMCMBAARR-UHFFFAOYSA-N 374.916 4.252 0 40 FIAB O=C1CN(C(=O)c2ccco2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28048062 UHJYUSFMBMFXDN-LJQANCHMSA-N 366.804 4.117 0 40 FIAB O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)[C@@H]1C[C@@H]1c1ccccc1 28229925 XRYXCTUMHNIZGW-QZTJIDSGSA-N 351.837 4.327 0 40 FIAB COc1cccc2c1N(C(=O)Cc1nc(-c3ccccc3)oc1C)CCC2 30574597 YRDQWQGKUHYGFY-UHFFFAOYSA-N 362.429 4.181 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccccc2C)c1C 30754413 VVMCSNSWFYZPMN-GOSISDBHSA-N 355.434 4.276 0 40 FIAB Cc1cc(=O)oc2cc(OCc3nc4ccccc4n3C(F)F)ccc12 31680328 DVEJNBJBWLIZJZ-UHFFFAOYSA-N 356.328 4.425 0 40 FIAB O=C(CSc1ccc(F)cc1)N(Cc1cccs1)C[C@H]1CCCO1 32819207 SPCHDPBRJUIPDO-OAHLLOKOSA-N 365.495 4.187 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(F)cc2Cl)cc1OC 32830864 ZJDCXJBGOJVALW-NSHDSACASA-N 351.805 4.377 0 40 FIAB COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1 35324523 PWPFUOQYRVUVOJ-HNNXBMFYSA-N 354.406 4.432 0 40 FIAB O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 36107152 CXTHLPOYDCKTPV-INIZCTEOSA-N 369.292 4.047 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)Nc1cccs1 38489865 PNXODSNYLPWLCF-UHFFFAOYSA-N 367.430 4.184 0 40 FIAB O=C(/C=C/c1ccccc1F)Nc1cc(N2CCCC2=O)ccc1Cl 40090714 DTENHNZCIRMGLL-JXMROGBWSA-N 358.800 4.258 0 40 FIAB CCCOc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1Cl 41095177 DCFIDCCLUWRTFA-CYBMUJFWSA-N 353.871 4.168 0 40 FIAB COc1ccc(NC(=O)NCCc2ccc(Cl)cc2)cc1OC(F)F 43995576 FGRZEIAIUYXSPS-UHFFFAOYSA-N 370.783 4.314 0 40 FIAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4)c3N)n2)c(C)c1 48989303 JJVDQNXQWKUGLX-UHFFFAOYSA-N 365.437 4.396 0 40 FIAB CN(CC(=O)N1CCc2ccccc21)C(c1ccccc1)c1ccccc1 57338525 FVZNBEWTZVEUNZ-UHFFFAOYSA-N 356.469 4.297 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)CCc1ccc(OC)c(OC)c1 58257593 CMDWDZXVJSVLSJ-MRXNPFEDSA-N 359.491 4.234 0 40 FIAB C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)N1CCCCCC1 58358209 DJFAHOWVILVGGT-LBPRGKRZSA-N 351.903 4.110 0 40 FIAB OCc1ccc(OCc2ccc(Br)cc2)c(Br)c1 62703418 OPJDZBCYFFYIHM-UHFFFAOYSA-N 372.056 4.283 0 40 FIAB Cn1cc(CC(=O)N2CCC(Cc3cccc(F)c3)CC2)c2ccccc21 65872224 LRVBXWZPWLTIAK-UHFFFAOYSA-N 364.464 4.341 0 40 FIAB O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1ccccc1 67290144 SACAALQHNRVQMQ-UHFFFAOYSA-N 366.471 4.189 0 40 FIAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3ccccc3)n2)n1 72375132 ZZUQXUNTFOSHLY-LJQANCHMSA-N 373.460 4.209 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc2c1ccn2C 72405017 MTDUSCVOQJIZAP-UHFFFAOYSA-N 358.445 4.162 0 40 FIAB O=C(OCc1cc(-c2cccs2)on1)c1cc(O)c2ccccc2c1O 79056593 RCKCKQUFUOUQQN-UHFFFAOYSA-N 367.382 4.325 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1c[nH]nc1-c1ccccc1 89591134 HLQNQNHTGSWJEP-CYBMUJFWSA-N 355.825 4.445 0 40 FIAB CC(C)Oc1ncccc1CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 89887955 AYVGQLDGBBZEBE-UHFFFAOYSA-N 363.461 4.159 0 40 FIAB CCCOc1ccc(/C=C/C(=O)NC2CCN(c3ccccc3)CC2)cc1 95369447 GLXJQLHWGQNCDQ-JLHYYAGUSA-N 364.489 4.274 0 40 FIAB CCC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 100775561 LOXAVPGXXWVKKH-XJNFMUPTSA-N 372.262 4.097 0 40 FIAB Cc1cccc(CNC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219468401 BEJRAFZMVVAHLZ-UHFFFAOYSA-N 358.441 4.205 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(C(F)(F)F)c1 223269716 JIABIFLKCJHJTN-KRWDZBQOSA-N 351.368 4.488 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223714013 YYOVZCGISFUSEJ-IBGZPJMESA-N 373.468 4.476 0 40 FIAB Cc1cc(OCC(=O)NCCc2ccc(Cl)cc2)cc(C)c1Cl 224258479 KHDGMBTWEFBAQP-UHFFFAOYSA-N 352.261 4.348 0 40 FIAB Cc1cccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 224270339 NKPFVLGVRFQLRZ-UHFFFAOYSA-N 361.441 4.383 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 224412578 FPBZMSDMQTXNGU-UHFFFAOYSA-N 363.288 4.193 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCCOc1ccc(Cl)cc1 224476565 XWSLZEVNTHOFPL-UHFFFAOYSA-N 355.821 4.311 0 40 FIAB CCOc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1Cl 224637958 ICRQLYGZOFUDDP-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OC)c(C)c1 225218942 WELRLQDESYTJAD-QGZVFWFLSA-N 355.434 4.044 0 40 FIAB Fc1ccccc1NC(=S)NCc1nc(-c2ccc(Cl)cc2)no1 225820516 IDUJNHPHXWLZDS-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1cc2ccc(OC)cc2oc1=O 226043367 PNQOBZIVEJLETO-UHFFFAOYSA-N 351.402 4.179 0 40 FIAB CC(C)n1nccc1-c1ncccc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 257202168 AKTFINVGQCUXCF-QGZVFWFLSA-N 368.525 4.353 0 40 FIAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(CCc2ccccc2)C1 257233103 GNVGZLNJGSOSCE-QGZVFWFLSA-N 364.514 4.293 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Oc2ccccc2)cc1Cl 408737256 MSPWEKABAUKIEG-KRWDZBQOSA-N 358.825 4.250 0 40 FIAB CN(CC1CC1)C(=O)CSCc1ccc(Cl)cc1Br 506249842 OIVKJRAVNXXDCL-UHFFFAOYSA-N 362.720 4.204 0 40 FIAB Cc1cc(Sc2ccccc2)ccc1NC(=O)NCC1CCNCC1 516914563 NFCUCSCQJWFHHM-UHFFFAOYSA-N 355.507 4.267 0 40 FIAB Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc(C(=O)Nc3ccccc3)nn2)C1 523088111 SDBMSGRZGCIZQS-ROUUACIJSA-N 372.472 4.420 0 40 FIAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1)c1nc2ccccc2[nH]1 524734270 OIPLJOBFPTVEMG-UGSOOPFHSA-N 352.438 4.480 0 40 FIAB Cc1ccc([C@H]2CCCCCN2C(=O)c2cc3nccnc3cc2F)o1 548427820 CGQZAISTVITQFV-GOSISDBHSA-N 353.397 4.428 0 40 FIAB CC[C@@H](C)N(C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 575421031 MAFLQVRDBZMBBE-YLJYHZDGSA-N 357.519 4.064 0 40 FIAB Cc1cc(NC(=O)NC[C@H](C)c2nccs2)cnc1N1CCCC[C@H]1C 580379440 ANVZTXUERJLDFE-LSDHHAIUSA-N 373.526 4.151 0 40 FIAB CC(C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)CC[C@H]21 585108000 SSSRNBUZKPXCEU-VBSBHUPXSA-N 360.929 4.022 0 40 FIAB CCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)c2ccccc12 783434 GRDOOEKCNUQROK-UHFFFAOYSA-N 367.470 4.380 0 40 FIAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1F 811894 AOMGFNGSJNJQOG-UHFFFAOYSA-N 362.360 4.243 0 40 FIAB Cc1[nH]c2c(Cl)cc(Cl)cc2c1CCN1C(=O)OC(C)(C)[C@@]1(C)O 1067707 GHVJRVXNXMZSMB-QGZVFWFLSA-N 371.264 4.265 0 40 FIAB O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccccc1F)c1cccs1 1381266 HMEPXSTWFYSLGS-GOSISDBHSA-N 369.417 4.102 0 40 FIAB Cc1cccc(-c2nnc3c4cnn(-c5ccc(C)cc5C)c4ncn23)c1 2412050 KIUCPQVCEDQVHZ-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB CCOP(=O)(OCC)C(NC(=O)c1ccc(F)cc1)=C(Cl)Cl 3109723 BCXCBYRRFPRRDK-UHFFFAOYSA-N 370.144 4.426 0 40 FIAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(F)cc1 3216394 LONOVQBXAPVISG-UHFFFAOYSA-N 363.388 4.217 0 40 FIAB CCCCCOc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 3232840 KWETXVDZUGIKMV-IAGOWNOFSA-N 361.482 4.202 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCCc2ccccc21 3336785 CLTXLTWCAXHABV-UHFFFAOYSA-N 362.429 4.463 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 3633334 FWJYDRGUVAWASO-UHFFFAOYSA-N 374.396 4.390 0 40 FIAB COc1ccccc1NC(=O)Oc1ccc(NC(=O)c2ccco2)cc1 4162397 HMRWFTIUFPRIJF-UHFFFAOYSA-N 352.346 4.151 0 40 FIAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(F)c3)nn2)s1 4358365 WFDQDJRVXSWIQK-UHFFFAOYSA-N 374.466 4.087 0 40 FIAB CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nnc1-c1ccccc1 4463535 NDXUYMZCNYUILV-CQSZACIVSA-N 367.474 4.337 0 40 FIAB Clc1ccc(-c2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 4511686 VENRNCGOKALNCT-AWEZNQCLSA-N 370.821 4.019 0 40 FIAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccs1 4596954 WIQWWOKYBQTWLR-UHFFFAOYSA-N 359.451 4.456 0 40 FIAB Cn1c(-c2ccccc2)c(C(=O)C(=O)NC2CCCCC2)c2ccccc21 4622688 FQIPCANWARUYSZ-UHFFFAOYSA-N 360.457 4.477 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)c1cccc(I)c1 4676166 NGVMKLUDORZHOY-GFCCVEGCSA-N 359.251 4.236 0 40 FIAB COc1ccc(CCNC(=O)CSc2cccc(C(F)(F)F)c2)cc1 6404841 ARQYUWRLPJZMRB-UHFFFAOYSA-N 369.408 4.165 0 40 FIAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C)o1 6849989 WSEMLDDTQBZCAJ-UHFFFAOYSA-N 359.813 4.344 0 40 FIAB CS(=O)(=O)N1CCCc2cc(-c3csc(-c4ccccc4)n3)ccc21 7786911 WMFQNEFPRAWNLL-UHFFFAOYSA-N 370.499 4.189 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2C)C1 7928058 HNEZYZRRAXHXMG-IBGZPJMESA-N 364.489 4.420 0 40 FIAB COC(=O)C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1Cl 8276556 UKCRTSNSJDRCQH-HNNXBMFYSA-N 357.793 4.120 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 8393791 FVFUISQEVPXUMA-UHFFFAOYSA-N 370.405 4.297 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@@H](O)C[C@]1(CCC[C@@H](C)C1)O2 8879247 QUENKKPOINSKLX-RZVZBCHOSA-N 354.446 4.355 0 40 FIAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2sc3ccccc3c2Cl)no1 9315282 ITTDHEXVVMAASD-VIFPVBQESA-N 364.810 4.035 0 40 FIAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)N2CCCCCC2)c(C)c1 9609788 HIOPZDYNOKDSII-KRWDZBQOSA-N 357.523 4.372 0 40 FIAB Cc1cc(/C=C/C(=O)NCCCc2nc3ccccc3[nH]2)c(C)n1C1CC1 11486153 XNXFNGGZWYVSPY-FMIVXFBMSA-N 362.477 4.078 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCc2sccc2C1 12216798 GNXGVPUUDAIICV-UHFFFAOYSA-N 372.471 4.162 0 40 FIAB CCCCC(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl 12441280 WXXIPLUGVDMLDS-UHFFFAOYSA-N 358.829 4.187 0 40 FIAB COc1ccc(OC)c(NC(=O)N[C@H]2CCSc3ccc(F)cc32)c1 12568255 KSDTUDMWSHHINI-AWEZNQCLSA-N 362.426 4.202 0 40 FIAB C[C@@H](NC(=O)CSc1nccn1C)c1ccc(-c2ccccc2)cc1 12576968 VKKAQTAJYBEXNP-OAHLLOKOSA-N 351.475 4.057 0 40 FIAB C[C@@H](Sc1nc2ccsc2c(=O)n1C)C(=O)c1cccc(Cl)c1 12614735 CZGXRRHDDVGCOB-SECBINFHSA-N 364.879 4.012 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCc2ccccc21 12885050 ZJPCEHOOVWOSEC-YVEFUNNKSA-N 360.251 4.020 0 40 FIAB O=c1cc(O)c2sc(SCc3ccccc3C(F)(F)F)nc2[nH]1 13626146 PNAFZQNFJGTPTE-UHFFFAOYSA-N 358.366 4.001 0 40 FIAB COc1cccc2cc(C(=O)NCCSCc3ccccc3F)oc12 13632346 VQBIWKKKPWLGNY-UHFFFAOYSA-N 359.422 4.244 0 40 FIAB CCOC(=O)c1c(NC(=O)c2noc(C)c2C)sc2c1CCCCC2 13641066 KFACZJUJOGADLZ-UHFFFAOYSA-N 362.451 4.051 0 40 FIAB O=C(NCC1(c2cccs2)CCCC1)c1cc2ccccc2oc1=O 13803152 QTJOXEUBFRYLHK-UHFFFAOYSA-N 353.443 4.096 0 40 FIAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 15554027 PBTRGQQWWGRWNM-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1F 15589840 AJFKBAXGMIINEQ-SFHVURJKSA-N 355.409 4.273 0 40 FIAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(CC3CCCCC3)CC[C@@H]21 19235210 CIBXAJZYILGYKJ-VABKMULXSA-N 354.538 4.212 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N[C@H](c1ccccn1)C2 19550740 QAUBOEXDAOBODG-UGKGYDQZSA-N 364.420 4.214 0 40 FIAB O=C(Nc1cccc(Cn2cncn2)c1)c1cc(C2CC2)nc2ccccc12 19714683 GMBMZYLHJDSWJA-UHFFFAOYSA-N 369.428 4.004 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 20141751 IYBVZEMENWMQRG-UHFFFAOYSA-N 351.402 4.480 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cc3cc(Br)ccc3[nH]2)c1 24777770 CNUOYPZHLISSLC-UHFFFAOYSA-N 372.222 4.141 0 40 FIAB O=C(c1ccccc1C(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 28211000 IRIYYNVBCQLLKV-RMKNXTFCSA-N 374.406 4.177 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 28306332 OFVSIQSGQIZLFC-CYBMUJFWSA-N 373.815 4.379 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 28700175 DLQYOEZPSFWFCZ-INIZCTEOSA-N 361.825 4.159 0 40 FIAB COc1c(C)ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C 31722653 VEWITCYCZCUPQZ-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1O 33718979 OQFJNOJGGZZWNM-WQRHYEAKSA-N 369.442 4.336 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 35289086 RXPRGCSZFPTFAX-SEJPIABJSA-N 365.546 4.477 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccccc2C)cc1Cl 36620541 VYDJIGJDLXXPGP-KRWDZBQOSA-N 365.882 4.183 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 38943793 TVVOQPAYYJXXFT-DHZHZOJOSA-N 358.397 4.134 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](OC(=O)C1CCCC1)c1ccccc1 39995059 DBQABYFJZLIVMP-HXUWFJFHSA-N 367.445 4.499 0 40 FIAB CCOc1ccc(C(C)=O)cc1CN1CCO[C@H](c2ccc(F)cc2)C1 40060994 ASXJKDDLTZKCDQ-NRFANRHFSA-N 357.425 4.001 0 40 FIAB COc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc(Cl)c1OCCC(C)C 40159861 UEFQHNQDNQVSSL-OKILXGFUSA-N 369.889 4.023 0 40 FIAB Cc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccccc23)cc1 44169629 STUDHNSIFMAZDC-UHFFFAOYSA-N 363.486 4.476 0 40 FIAB O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1-n1ccnc1 44885086 LZMPAIQMDUSOHS-UHFFFAOYSA-N 371.893 4.075 0 40 FIAB Cc1n[nH]c2c1[C@H](c1c(C)nn(Cc3ccccc3)c1C)SCC(O)=N2 44901773 FXTNJTBEEHWJCM-SFHVURJKSA-N 367.478 4.004 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1N1CCCC1 48235690 VYFZHBLMDRHDGI-ZDUSSCGKSA-N 361.898 4.455 0 40 FIAB CN(Cc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1)C1CCCCCC1 48294084 UQYGGCKWJCVJOY-UHFFFAOYSA-N 351.494 4.469 0 40 FIAB Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)c2ccc(F)cc2n1 48299258 MQKAJSLONKONQH-UHFFFAOYSA-N 352.384 4.283 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@H](c1ccccc1)C1CCCC1 48332133 BDALJBYBVCFFOG-HXUWFJFHSA-N 361.449 4.320 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)Nc1nc2c(s1)CCC2 53615963 DRTPXHZGXUNUCA-UHFFFAOYSA-N 361.517 4.238 0 40 FIAB C[C@@H]1CCN(C(=O)CSC[C@H](O)c2ccccc2)c2ccccc2S1 65554379 MDVSDTKMODMEHG-QAPCUYQASA-N 373.543 4.371 0 40 FIAB Fc1ccc(-c2nnn3c2nc(NCc2cccnc2)c2ccccc23)cc1 67261427 BWYXLLMWOXNZRB-UHFFFAOYSA-N 370.391 4.091 0 40 FIAB c1ccc(CCCN2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 72377917 ZJTDBHAXBNQBJR-HXUWFJFHSA-N 373.504 4.427 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(Cl)nc1Cl 84392848 SJCZZVNJTRHWOX-ZFWWWQNUSA-N 369.223 4.178 0 40 FIAB C[C@]1(NC(=O)Cc2coc(-c3cccs3)n2)CCCc2ccccc21 95950618 DOESETBOERHZJB-FQEVSTJZSA-N 352.459 4.314 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@H](OC)c1cccc(F)c1 96388243 KYEOALJQLKFLHM-FQEVSTJZSA-N 367.420 4.495 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C)cc1C 219528291 XASCZPULNUWNDV-SFHVURJKSA-N 355.478 4.218 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)S1 222602582 PUOHFDIUCRDOIH-CCKFTAQKSA-N 364.474 4.114 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)n1cc(C(=O)OC)c2ccccc21 222619367 FMBZTGRQSRRUEK-CQSZACIVSA-N 351.402 4.098 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCC1 222734917 WPEQRLXQNGFART-RTBURBONSA-N 354.523 4.217 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 222869759 DDUGIDLJPSFGPR-HNNXBMFYSA-N 371.462 4.004 0 40 FIAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223341353 VRMGGAKNLMDIIZ-JOCHJYFZSA-N 366.505 4.329 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)c1 223699052 RPXWNMXCIIJKDK-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2F)cc1C(C)C 223949843 MXXYOAOQVPWKET-UHFFFAOYSA-N 355.406 4.206 0 40 FIAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)C(C)(C)Oc1ccc(Cl)cc1 225599316 SCDCUKUUWIZCEW-CQSZACIVSA-N 373.880 4.180 0 40 FIAB COc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225828745 NPBAFKJQXVWCQS-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 408705901 PWKHLUYYNSQCRZ-OAHLLOKOSA-N 361.869 4.391 0 40 FIAB CCCOC1(c2noc([C@@H]3Cc4ccccc4N3C(C)=O)n2)CCCCC1 585084305 FJOVTRXZMGYEGA-SFHVURJKSA-N 369.465 4.306 0 40 FIAB COc1ccc(-c2csc(/C=C/c3cn(C4CCC4)nn3)n2)cc1OC 656612927 OUTSBIPVHAOSOA-VQHVLOKHSA-N 368.462 4.314 0 40 FIAB COc1ccn2c(C(=O)N[C@H](C)c3cc4ccccc4s3)cnc2c1 1128141470 NKHREFGTHKZGCR-GFCCVEGCSA-N 351.431 4.049 0 40 FIAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1 641652 QZHRCDTUIZFOPW-AWEZNQCLSA-N 362.267 4.126 0 40 FIAB CCN1C(=O)c2cccc3c(NC(=O)Nc4ccc(OC)cc4)ccc1c23 754031 PRMATKNSLZABBT-UHFFFAOYSA-N 361.401 4.473 0 40 FIAB CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cccs1 858474 OHDVUAHDBRHXBD-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB aggregator O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)[C@H]1CCCO1 887367 KLFDZHWXMVWEBY-CYBMUJFWSA-N 357.262 4.158 0 40 FIAB COC(=O)c1ccc(Nc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 1291028 JNVDPQCWKOAQKW-LLVKDONJSA-N 353.447 4.346 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc(C)cc2)c(CC(=O)O)s1 1424568 BPHFVGILSVIXKW-UHFFFAOYSA-N 354.431 4.498 0 40 FIAB COc1cccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)c1 2254996 DQDYDWVPVFWDFR-UHFFFAOYSA-N 364.397 4.208 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Oc1ccccc1C(=O)N1CCCCC1 3343804 BSUOCVNOXIFKOR-JLHYYAGUSA-N 353.393 4.071 0 40 FIAB Cc1nc(NC(=O)Cc2ccsc2)sc1Cc1ccc2c(c1)OCO2 3422995 DUKYNYHKLNWHEI-UHFFFAOYSA-N 372.471 4.014 0 40 FIAB Cc1cccc(Cn2cccc(C(=O)Nc3ccccc3Cl)c2=O)c1 5269629 MZTGWHKRYHDWAA-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1C 5270591 RTSHOGAWSUOZCV-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(Br)cc1 5763361 PQICCIXCIGNPEI-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C)cc1C 5863561 DECVKSQFLGWDAR-CQSZACIVSA-N 355.463 4.364 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1nnc(Cc2ccccc2)s1 6790232 BHLPDIXNNTYVSF-UHFFFAOYSA-N 361.829 4.103 0 40 FIAB O=C(CCCSc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccs1 6880891 ASOAOFISFZUYDJ-UHFFFAOYSA-N 374.443 4.282 0 40 FIAB O=C(OCc1cn2ccccc2n1)c1cc(-c2ccco2)nc2ccccc12 7653574 ZJSQLZZMURQMBM-UHFFFAOYSA-N 369.380 4.500 0 40 FIAB O=C(Cc1ccc(Br)cc1)OCc1nc2ccccc2s1 7655982 ZOLNEOVMJBPXOW-UHFFFAOYSA-N 362.248 4.345 0 40 FIAB O=C(N[C@@H]1CCSc2ccccc21)c1cc(Cl)c2c(c1)OCCO2 7988741 JSCFPXJSYZKMOH-CQSZACIVSA-N 361.850 4.078 0 40 FIAB CCOc1ccccc1-c1csc(NC(=O)Cc2csc(C)n2)n1 7996363 SGORFHQWCVLUBR-UHFFFAOYSA-N 359.476 4.155 0 40 FIAB O=C(COc1ccc2ccccc2c1)NCc1ccccc1CN1CCCC1 8011791 APKOILPWRIOPNO-UHFFFAOYSA-N 374.484 4.131 0 40 FIAB COc1ccc(Cn2nnnc2SCc2cccc3ccccc23)cc1 8329140 BPUHWGCDGAVODB-UHFFFAOYSA-N 362.458 4.176 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2cc(Cl)sc2Cl)N(C)C)cc1 8777357 KZMWPYLFOJTJLI-CYBMUJFWSA-N 373.305 4.096 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3)ccc21 8958965 IXPAGHUKAPMLSF-UHFFFAOYSA-N 352.434 4.101 0 40 FIAB CCn1c(NC(=O)CCc2nc3ccccc3s2)nc2ccccc21 10651485 XNWIVVCRYJNFGY-UHFFFAOYSA-N 350.447 4.237 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 10684223 SYPWGNAFOWRAJG-DLBZAZTESA-N 368.477 4.238 0 40 FIAB COc1ccc(NC(=O)COc2c(C)cc(Br)cc2C)cc1 12489599 BMOHEHQCCARFBA-UHFFFAOYSA-N 364.239 4.092 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NCCc4cn5c(n4)CCCC5)c23)C1 12520261 OZEMUMITKJWCAD-CYBMUJFWSA-N 367.522 4.004 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2ccccc2n1 12555305 OBQRMBQZEQPVAY-MDYRTPRTSA-N 369.461 4.396 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)c1cccs1 12619752 HTRUIRUDRWKKQD-CYBMUJFWSA-N 357.262 4.261 0 40 FIAB COc1ccc2cc(CN(C)CCC(=O)NC3CCCCC3)ccc2c1 12872754 VGBUHWGLCNWEIZ-UHFFFAOYSA-N 354.494 4.119 0 40 FIAB Cc1cccc(OCCN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)c1 12915447 VORMDCJMIDFJBL-UHFFFAOYSA-N 351.446 4.229 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2ccc(F)c(NC(=O)C3CC3)c2)c1 12917369 ZEEVNNNFTXDVDJ-AWEZNQCLSA-N 369.440 4.230 0 40 FIAB CN1CCN(c2ncnc3sc4c(c23)CCCC4)[C@@H](c2ccccc2)C1 13015756 VIYNBHMTFKWMML-QGZVFWFLSA-N 364.518 4.063 0 40 FIAB CN(Cc1ccccc1Cl)c1cnn(-c2ccccc2)c(=O)c1Cl 13099009 RRSOTTVQUIUOHJ-UHFFFAOYSA-N 360.244 4.176 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccccc2C)c1 13710543 MBHUIIHCBQCFRH-GOSISDBHSA-N 357.519 4.429 0 40 FIAB O=C1CCCC[C@@H]1Sc1nnc(Cc2ccccc2)n1Cc1ccco1 14199833 GBPCQMJNBUQARO-SFHVURJKSA-N 367.474 4.114 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cccc2ncccc12 16205148 VEPSKFWUDHNTIY-UHFFFAOYSA-N 368.820 4.231 0 40 FIAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 18061054 SMPSXECPWCOSIB-KRWDZBQOSA-N 372.856 4.096 0 40 FIAB CC[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(OC)cc1 18132094 AQDLILYUCZDYCU-MRXNPFEDSA-N 367.474 4.403 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@H](c2ccncc2)c2cccs2)cc1C 19214214 MGTKIAXPULWWLH-OXQOHEQNSA-N 366.486 4.433 0 40 FIAB CCCCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Cl 19943226 ZUXKKSMGYYWPKM-ZIAGYGMSSA-N 359.919 4.186 0 40 FIAB Cc1ccc(C(C)C)c(OCc2nn3c(-c4ccco4)nnc3s2)c1 20357292 JKCGAJHYJWSKPO-UHFFFAOYSA-N 354.435 4.457 0 40 FIAB CCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 21595251 PUZLUVCGMHISEX-DHZHZOJOSA-N 351.431 4.297 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(C(F)(F)F)cn1 21635453 OPNGSGZICARMBG-LLVKDONJSA-N 352.381 4.170 0 40 FIAB CCC(=O)N1CCCc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21 22502848 GBXHYHUMKIDPIL-UHFFFAOYSA-N 371.868 4.351 0 40 FIAB C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1Br 22777828 UYRDBXOCKKMCNB-AWEZNQCLSA-N 356.267 4.486 0 40 FIAB Cc1ccc([C@H](NCc2nc3ccccc3c(=O)[nH]2)c2cccs2)cc1 24497100 OGBVGQCCSDZQJX-FQEVSTJZSA-N 361.470 4.172 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(C(=O)c2ccco2)C1 24746280 IPDWDWMOJHFLOY-LLVKDONJSA-N 367.232 4.077 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N[C@H](C)c2cc(C)ccc2C)c1 26316112 OUYUCQIFPUUADG-HZPDHXFCSA-N 353.466 4.383 0 40 FIAB COCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 26448156 SSNLXNAAGVKICW-UHFFFAOYSA-N 359.297 4.213 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30854773 VEUVNEQPYRXNGZ-IBGZPJMESA-N 372.896 4.155 0 40 FIAB Cc1ccc(-c2nc(CC(=O)NCCc3cccc(Cl)c3)cs2)o1 32816205 SYPVGKQPZOUMIL-UHFFFAOYSA-N 360.866 4.266 0 40 FIAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1 33215915 MNLJQYJHYBPEQH-SANMLTNESA-N 370.474 4.256 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)ccc2o1 33216122 XHTOVBGNPWFIQP-PBWFPOADSA-N 354.450 4.459 0 40 FIAB O=C(C1=Cc2cc(Br)ccc2OC1)N1CC[C@@H]1c1ccccc1 36396799 AESPWXXFGILAFB-QGZVFWFLSA-N 370.246 4.199 0 40 FIAB Cc1nc2cc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)ccc2o1 36688771 DSIBKAALIQLOFX-UHFFFAOYSA-N 351.406 4.373 0 40 FIAB Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2cc(Cl)ccc21 44049236 LOTKGKYSVYSBTI-UHFFFAOYSA-N 367.808 4.236 0 40 FIAB Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)nc2)oc2c(F)cccc12 48252380 PZDIBKFFNKJVIV-UHFFFAOYSA-N 368.286 4.469 0 40 FIAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc(F)cc1Cl 48361653 AOCNZEGMNGBONJ-UHFFFAOYSA-N 361.848 4.185 0 40 FIAB CCOc1ccc2nc(SCc3csc(-c4cnn(C)c4)n3)[nH]c2c1 53329541 WSBNLPFDAZFEOG-UHFFFAOYSA-N 371.491 4.111 0 40 FIAB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)c1C 57711404 FZYOKYVYMUQYOM-HXUWFJFHSA-N 365.521 4.069 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N1c2ccccc2C[C@H]1C 58414913 IEZZJXHCNSWCCC-CQSZACIVSA-N 363.436 4.149 0 40 FIAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N(Cc1ccco1)C1CCCC1 58432561 PSFWEARTKQEPDS-UHFFFAOYSA-N 353.397 4.394 0 40 FIAB COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1Cl 64581002 NIVKOUPGPNRHQS-UHFFFAOYSA-N 362.216 4.440 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccn1)N1CCCCC1 67288524 BOMNGZHCNBFEQM-UHFFFAOYSA-N 364.424 4.007 0 40 FIAB O=C(Nc1nc2c(s1)COCC2)C1c2ccccc2Oc2ccccc21 75166201 MBNRPQXHIZDDRH-UHFFFAOYSA-N 364.426 4.092 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)on1 77212546 GYENUWHLQKODCU-OAGGEKHMSA-N 364.367 4.469 0 40 FIAB CC(C)N1CCC2(CC1)CN(C(=O)Nc1ccccc1)Cc1ccccc12 96242410 OXWOQVBFHNJBKB-UHFFFAOYSA-N 363.505 4.476 0 40 FIAB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N(C1CCCC1)C1CC1 103979904 MHRIWKKISRKICU-INIZCTEOSA-N 364.898 4.077 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 136530778 QNSSRVZDEKBXGL-IRXDYDNUSA-N 374.440 4.011 0 40 FIAB CN1CCCN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)c2ccccc21 177416449 YOCKCASPEJGMBG-UHFFFAOYSA-N 374.444 4.101 0 40 FIAB O=C(c1ccc2nsnc2c1)N1CCS[C@H](c2cccs2)CC1 219502737 JLPAVOFGUPFERY-HNNXBMFYSA-N 361.517 4.073 0 40 FIAB Cc1ccc2c(c1)[C@H](NC(=O)COc1cccc(C)c1C)CC(C)(C)O2 222821693 OOBXVXLTLWIBBN-GOSISDBHSA-N 353.462 4.409 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1ccc(OC)cc1 223005246 WUETXLHALMRZFM-IBGZPJMESA-N 361.869 4.473 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc2c(c1)CCCC2 223077648 JGGQTWUUPXELIG-FQEVSTJZSA-N 361.482 4.275 0 40 FIAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(C)cc1 224126048 UKFCZKQCTDDBEI-UHFFFAOYSA-N 353.462 4.455 0 40 FIAB CCC1(CC)C[C@H](NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2O1 224887794 SAVCDBCGDYBMSE-JXFKEZNVSA-N 367.445 4.025 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cc(C)ccc3C)ccc21 225103222 DEJZTOBZSLZAQF-AWEZNQCLSA-N 370.474 4.106 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1 225201401 VLSOSDHKZCNGCP-UHFFFAOYSA-N 367.470 4.365 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 225728680 ICGSXNXOMCFWEG-BETUJISGSA-N 357.926 4.134 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1 225756646 WEXUBYOQSLIHFY-UHFFFAOYSA-N 362.429 4.008 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(C)cc2N)cc1 226331288 HCOLEECEMLSGID-HNNXBMFYSA-N 353.466 4.217 0 40 FIAB COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1 226344178 MZCZONXGHPEJRS-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB CCc1nc2ccc(C(=O)NCc3ccnc(-c4ccco4)c3)cc2s1 238903676 RRWMHYHHPVKSID-UHFFFAOYSA-N 363.442 4.444 0 40 FIAB Cc1ccc(C(=O)N2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cc1C 248159428 NSUPYBQMCSEWCR-OAQYLSRUSA-N 371.521 4.131 0 40 FIAB Cc1cccc(Nc2cc([C@H]3CCCN3Cc3cscn3)ccn2)n1 257269633 MQSXBHVRDSMJLT-QGZVFWFLSA-N 351.479 4.322 0 40 FIAB CCOc1ccc(-n2c(C)nnc2SCCOc2ccccc2)cc1 409104093 DJQLIIJUEIPTJR-UHFFFAOYSA-N 355.463 4.146 0 40 FIAB CN(Cc1cccc(O)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 524973290 RZLMNKHIGUDXLD-HZPDHXFCSA-N 365.351 4.053 0 40 FIAB COc1cccc([C@@H](C(=O)O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1 634691448 HFMZPVCKAOUYPJ-QAPCUYQASA-N 374.506 4.280 0 40 FIAB Cc1ccc(C(=O)N2CCC(N[C@@H](C)c3cc4cnccc4o3)CC2)cc1 657865643 BREKQTMIUKBDGC-INIZCTEOSA-N 363.461 4.092 0 40 FIAB Cc1cc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@H]2CCCO2)c(C)o1 670300042 FQEFCZZEYDUMPX-DLBZAZTESA-N 372.513 4.206 0 40 FIAB Cn1ncc(C2CCC2)c1C(=O)Nc1nc(-c2ccccc2Cl)ns1 685939012 SYMAWORHRQIDOZ-UHFFFAOYSA-N 373.869 4.112 0 40 FIAB COc1ccc(C(=O)Nc2nnc(CSCc3ccccc3)s2)cc1 715044 VVODQWXIDFBTKQ-UHFFFAOYSA-N 371.487 4.232 0 40 FIAB CCc1ccc(OCCn2c(C)c(C(=O)OC)c3cc(O)ccc32)cc1 719833 AIFFICXGFXXBMX-UHFFFAOYSA-N 353.418 4.083 0 40 FIAB O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccco1 820628 VXUWXAAZIFKTIQ-LBPRGKRZSA-N 368.047 4.471 0 40 FIAB O=C(Cc1ccc(Br)cc1)Nc1cccc(Br)c1 862283 DMQIWPOPXXUHNE-UHFFFAOYSA-N 369.056 4.393 0 40 FIAB COc1ccc(CSc2nnc3c4c5c(sc4ncn23)CCC5)cc1 1305339 WPLYWSPEVLDWGR-UHFFFAOYSA-N 368.487 4.129 0 40 FIAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1 1447073 DUGXFRLRHXVSQP-CYBMUJFWSA-N 358.869 4.395 0 40 FIAB CCc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)cc1 2194839 UBXRNGMDNFYUQQ-UHFFFAOYSA-N 374.835 4.346 0 40 FIAB CCOCCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21 2416801 VHSXLSXKODLANX-UHFFFAOYSA-N 362.433 4.082 0 40 FIAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C)cc1)CC2=O 2425807 ZBBPLHRCHPBVOH-INIZCTEOSA-N 351.450 4.072 0 40 FIAB COc1ccc(-n2c(SC(C)C)nnc2-c2ccccc2)cc1OC 2623106 IMTOQPZDQMGDPM-UHFFFAOYSA-N 355.463 4.452 0 40 FIAB CCOc1ccc(-n2nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 2705771 XZJGKWAMGPRFFY-UHFFFAOYSA-N 370.840 4.189 0 40 FIAB CC(C)OC(=O)c1c(NC(=O)c2ccncc2)sc2c1CC[C@H](C)C2 3899978 AKKMEQGORMDLPO-LBPRGKRZSA-N 358.463 4.085 0 40 FIAB CCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21 5235934 RTXZNBFBNNKWIR-CYBMUJFWSA-N 369.852 4.239 0 40 FIAB O=C(OCCOc1c(Cl)cccc1Cl)c1n[nH]c2ccccc12 6510174 KHDSSSHWWVWZQX-UHFFFAOYSA-N 351.189 4.106 0 40 FIAB CCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2ccccc21 6610667 ZPVCDDANCRCLQV-UHFFFAOYSA-N 356.447 4.048 0 40 FIAB Cc1cc(C)c(NS(=O)(=O)c2cccc(Br)c2)c(C)c1 6919648 SNGPJKXUGFHEDA-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB COc1ccccc1-c1nn(CN2CCC[C@@H]3CCCC[C@@H]32)c(=S)n1C 7143080 WNZOLRAMEQYPEJ-RDJZCZTQSA-N 372.538 4.239 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(Nc4ccc(C(=O)N(C)C)cc4)c23)C1 7973911 SBYCGUQHRKJRNE-LBPRGKRZSA-N 366.490 4.262 0 40 FIAB CN(C)c1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 8020326 OPCVMUWGKAMJCG-MRXNPFEDSA-N 365.502 4.382 0 40 FIAB CSCc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 8430302 HXDDLCRHVALOIV-UHFFFAOYSA-N 354.519 4.075 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2ccccc2SC(F)F)nc1C 8704745 PFMDKSHGKRNKIO-UHFFFAOYSA-N 372.418 4.195 0 40 FIAB COc1ccc(-c2cc(NC(=O)Cc3c(C)noc3C)ccc2OC)cc1 9050534 WARDUBZMZXWUJW-UHFFFAOYSA-N 366.417 4.157 0 40 FIAB Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137673 AOIFNZHZNPPYHY-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB O=C(Cc1nc(-c2nc3ccccc3s2)cs1)NCc1ccccc1 9216972 GGQSUDHEKLUSIW-UHFFFAOYSA-N 365.483 4.279 0 40 FIAB COc1ccc(-c2nc(CC(=O)NCCC3=CCCCC3)cs2)cc1 9306702 SDTSYEZTDYOGOV-UHFFFAOYSA-N 356.491 4.368 0 40 FIAB Cc1c(CCC(=O)Nc2cccc(Cl)c2)c(=O)oc2cc(O)ccc12 9348865 VFBYVYRXXFHZPW-UHFFFAOYSA-N 357.793 4.032 0 40 FIAB CCC[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10336414 OALPPTTYKTXIOX-OAHLLOKOSA-N 374.506 4.023 0 40 FIAB Cc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1C1CCCCC1 12520624 PTYHFLKAWPIGCW-IBGZPJMESA-N 362.481 4.056 0 40 FIAB Cc1noc(C)c1C(=O)N(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 12564304 BDVHWYBIMONWBN-HNNXBMFYSA-N 374.444 4.464 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1 12791815 ULSSKOSXISCZQY-UHFFFAOYSA-N 352.415 4.006 0 40 FIAB CCCOc1ccc2cc(C(=O)c3[nH]c(C)c(C(=O)OC)c3C)oc2c1 12794586 XJAIXCMCBBYHCH-UHFFFAOYSA-N 355.390 4.184 0 40 FIAB COc1ccc(CN(C(=O)c2ccc3cc(OC)ccc3n2)C2CC2)cc1 12796680 CBGCKJUDUNRMIF-UHFFFAOYSA-N 362.429 4.057 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 12980480 HSUIUGNMOQBNNV-ZDUSSCGKSA-N 362.882 4.201 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 13023993 MHSWWADOLKZGKS-LBPRGKRZSA-N 362.223 4.058 0 40 FIAB CC(C)(C)c1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1 13547791 SYBREFLVESSWGV-UHFFFAOYSA-N 352.547 4.477 0 40 FIAB O=C([C@H](NCCc1c[nH]c2ccccc12)c1ccccc1)N1CCCCC1 14139086 WBUKZVONPXPPGN-JOCHJYFZSA-N 361.489 4.054 0 40 FIAB COc1cc([C@@H](/C=C/c2ccc(O)cc2)[C@@H]2COC(C)(C)O2)ccc1O 14696125 UFTSEQNPKRKIAA-ZRSSQJRGSA-N 356.418 4.055 0 40 FIAB biogenic Cc1ccc(-n2nnnc2-c2cnc(C(C)C)nc2-c2ccccc2F)cc1 16311624 TYBWIGKGSZKBSQ-UHFFFAOYSA-N 374.423 4.357 0 40 FIAB O=C1Cc2cc(-c3csc(NC4CCCCC4)n3)cc3c2N1CCC3 16939773 ADTZXMQZIQTFHQ-UHFFFAOYSA-N 353.491 4.390 0 40 FIAB FC(F)(F)c1[nH]c2ncccc2c1CN1CCC(N2CCCCC2)CC1 19345107 WCRPVLFTULJAIW-UHFFFAOYSA-N 366.431 4.032 0 40 FIAB CC(C)(CO)CCCn1cncc1-c1cnn(-c2ccc(Cl)cc2)c1 19719545 OIFMYGHRKBSJRQ-UHFFFAOYSA-N 358.873 4.188 0 40 FIAB CCOc1ccc(CCC(=O)N(C)Cc2ccc(OC)cc2)cc1OCC 20048319 AAFFEWDOSPJQID-UHFFFAOYSA-N 371.477 4.084 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 20110689 QTVYYECJUNOXBI-ZDUSSCGKSA-N 361.463 4.140 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OC 21307525 QSMZPRRVCWOGNQ-INIZCTEOSA-N 371.477 4.219 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)c(C)c1 21576413 IKTZTFJLLPYWPB-UHFFFAOYSA-N 356.441 4.450 0 40 FIAB Cc1sc2nc(-c3cccs3)nc(N(C)Cc3cnn(C)c3)c2c1C 24585967 JJDNIGQFAMZNFT-UHFFFAOYSA-N 369.519 4.407 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)NCc1ccc(Cn2ccnc2)cc1 28649621 AOAAOFOAOPKCAJ-UHFFFAOYSA-N 374.271 4.097 0 40 FIAB Cc1ccsc1-c1nnc2sc(-c3cc(-c4ccccc4)n[nH]3)nn12 31809502 MAVLQKHMPFQFOK-UHFFFAOYSA-N 364.459 4.280 0 40 FIAB O=C(NCC1(c2ccccc2)CCCC1)c1cccc(N2CCCC2=O)c1 32857885 YCKIROKCRNTJRH-UHFFFAOYSA-N 362.473 4.055 0 40 FIAB Cc1nc(CSCC(=O)N[C@@H](C)c2cccc(OC(F)F)c2)cs1 32931100 SJAFEZZYBBMBEH-JTQLQIEISA-N 372.462 4.164 0 40 FIAB Cc1ccc2c(c1)c(=O)c(-c1nc(-c3cccc(Cl)c3)no1)cn2C 38487633 QKIDZGGJOVCPTO-UHFFFAOYSA-N 351.793 4.217 0 40 FIAB CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)c1ccccc1 39029327 ZHWUMOZOZVSJIB-SFHVURJKSA-N 355.434 4.386 0 40 FIAB CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 39761348 JNNWOVXPXMGVHB-UHFFFAOYSA-N 364.405 4.118 0 40 FIAB CCCCN(C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C)C1CC1 40070348 GSCWULXFZDUCLO-UHFFFAOYSA-N 368.506 4.410 0 40 FIAB CC(C)(C)n1nc2c(c1NC(=O)c1nc3ccccc3s1)CSC2 42379371 ZBWDSAUBAKKSQD-UHFFFAOYSA-N 358.492 4.247 0 40 FIAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(SC(F)F)cc1 46864427 CVXJUBABCDAOJA-UHFFFAOYSA-N 364.373 4.210 0 40 FIAB O=c1c(Cl)c(N[C@@H]2CCc3ccccc32)cnn1-c1ccc(F)cc1F 51501533 BGGHCPUZWXEFRG-OAHLLOKOSA-N 373.790 4.264 0 40 FIAB CCCOc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57413688 UDRDDSBUBKSKGH-UHFFFAOYSA-N 369.852 4.449 0 40 FIAB CCC[C@@H]1C(=O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 58979918 XVELDBZHBLEZHS-KCZVDYSFSA-N 353.462 4.465 0 40 FIAB Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)s1 59250107 SQPWNHVKOMWFHI-UHFFFAOYSA-N 374.897 4.397 0 40 FIAB O=C(c1cccnc1Cl)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 60801234 HWAZLDIDLKCYHB-UHFFFAOYSA-N 355.800 4.285 0 40 FIAB O=C(Nc1ccc[nH]c1=O)c1sc(-c2ccco2)nc1-c1ccccc1 65548794 RTFQWLIXERFSCS-UHFFFAOYSA-N 363.398 4.011 0 40 FIAB COc1ccc(CCc2nnc(-c3cnc4onc(C(C)C)c4c3)o2)cc1 71890726 AFDWYQRETBALSC-UHFFFAOYSA-N 364.405 4.190 0 40 FIAB COC(=O)c1sccc1NC(=O)c1cc(C2CC2)nc2ccc(F)cc12 72308015 VMMJLUICFYXPKN-UHFFFAOYSA-N 370.405 4.352 0 40 FIAB CC(C)n1cc(C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2c1=O 72324880 TXCPJTURHDXNRO-UHFFFAOYSA-N 373.456 4.036 0 40 FIAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(Br)cc2)C1 89212635 ABCHPJDDXOCSMR-CQSZACIVSA-N 355.276 4.261 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2ccc(N)cc2Cl)cc1OC 89598286 APBMITULIHARFH-SNVBAGLBSA-N 351.855 4.303 0 40 FIAB COc1cc(-c2n[nH]c(=S)n2-c2ccc(C(F)(F)F)cc2)ccc1O 95929458 HJCOJNNEVQQLQF-UHFFFAOYSA-N 367.352 4.330 0 40 FIAB CC[C@H](C(=O)NCCn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1 96103727 ZYVLADLRGLHHPO-HNNXBMFYSA-N 365.399 4.089 0 40 FIAB O=c1nc2n(nc1-c1ccccc1)[C@@H](c1cccc(F)c1)Nc1ccccc1-2 102347306 YRIXJACNZVSIJY-FQEVSTJZSA-N 370.387 4.084 0 40 FIAB O=C1[C@@H]2c3[nH]c4ccccc4c3[C@H]3CCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 102963236 MJDPELULEMYNCS-SLUIBLPYSA-N 356.425 4.338 0 40 FIAB O=C(NCc1csc(-c2ccccc2)n1)c1ncc(-c2ccccc2)o1 206585656 IYILVMDLPZHIQQ-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB COc1ccc(CCNC(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1 211081116 PXWPMGFYGNOEEE-LJQANCHMSA-N 370.468 4.356 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)OC)c1C 216249241 ZJFQITKHKJVBJQ-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1OC)c1ccc(C)cc1 216379283 XHHLCZORWARUEG-SZEUEKNRSA-N 369.461 4.302 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(OC)c1 218974093 GDXRRPKONZDDKS-YJBOKZPZSA-N 357.450 4.047 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)c1ccccc1 219036452 SLSXDAVLEJVVHR-SFHVURJKSA-N 362.473 4.250 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)COc1ccc(C)cc1 219321042 APMLUKYHXTUPNT-QAPCUYQASA-N 361.869 4.390 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 224296217 GBMKGQSNRGKLMX-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)c(C)c1 224623512 AXFQFHAQVZEJKP-LJQANCHMSA-N 361.869 4.309 0 40 FIAB COc1cc(CNC(=O)c2cc(Cl)ccc2OC)ccc1OC(C)C 225037979 GSUFDIAHKCQMAA-UHFFFAOYSA-N 363.841 4.074 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)CCSCc3ccccc3)ccc21 225102612 MIIHQVSFQVKEDT-UHFFFAOYSA-N 372.515 4.345 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225692567 RPSYOHMVDBTJSF-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SC(C)C)s1 225693219 RJGDPHDTBOJFQY-CQSZACIVSA-N 365.524 4.452 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OC(C)C 225792906 HFJMJKAOGFANSW-HXUWFJFHSA-N 365.470 4.040 0 40 FIAB COc1cccnc1NC(=S)NCCCc1cccc2ccccc12 225809600 KDKNBARLFOXVJD-UHFFFAOYSA-N 351.475 4.163 0 40 FIAB CCCCOc1ccc(NC(=O)[C@](C)(CCC)OCC)cc1C(=O)OC 225821678 APRXAEXHNCRQTD-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB Cc1nccc([C@H]2CCN(Cc3ccc(-c4ccccc4C(=O)O)cc3)C2)n1 257215521 CQNUQYFHCFMLNL-IBGZPJMESA-N 373.456 4.140 0 40 FIAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 408627738 NIVNREPINYRSKG-UHFFFAOYSA-N 372.799 4.415 0 40 FIAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)N(C)C)c2c1 1367382 XTOPEFYLXQAYCV-UHFFFAOYSA-N 365.502 4.348 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@@H](C)[C@H]3O 1632351 NIDRYBLTWYFCFV-FTLABTOESA-N 370.445 4.380 0 40 FIAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3)ccc12 2150227 NATYKOYUMSKHQE-UHFFFAOYSA-N 352.386 4.006 0 40 FIAB biogenic CCOc1ccc2[nH]c3c(NCCc4ccc(F)cc4)ncnc3c2c1 2205267 FVGLDKQZURYYEH-UHFFFAOYSA-N 350.397 4.304 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc3ccccc3c2)c1 4666564 CUJJKJUVVOZUAE-UHFFFAOYSA-N 369.804 4.297 0 40 FIAB Cc1ccccc1-n1nnnc1C1(N(N=O)c2ccccc2)CCCCC1 4765269 YZBSJLZWHQMRCM-UHFFFAOYSA-N 362.437 4.318 0 40 FIAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816638 XXSXIFCHVGPLHS-QZTJIDSGSA-N 366.852 4.409 0 40 FIAB Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccccc2Cl)CC1 4888482 MMAQOWDUUONQBG-UHFFFAOYSA-N 371.868 4.075 0 40 FIAB CC1CCN(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)CC1 5219731 WLMRJSZWQDCVRP-UHFFFAOYSA-N 373.522 4.385 0 40 FIAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5346202 NSQXFDYKSDRCJD-UHFFFAOYSA-N 367.445 4.356 0 40 FIAB CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@]2(C)C/C(=C\CCCC(=O)O)C[C@@H]12 5513337 VKPYUUBEDXIQIB-NWMYBSMNSA-N 364.526 4.462 0 40 FIAB CCCCCc1nnc(NC(=O)c2cccc(Br)c2)s1 5617023 ISMHELFTACRWKI-UHFFFAOYSA-N 354.273 4.286 0 40 FIAB CCCOC(=O)c1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1 5892537 AXIVRBVWPSOVKR-UHFFFAOYSA-N 354.358 4.166 0 40 FIAB biogenic CCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 6093638 SQPJQBXTBZLUDW-OAHLLOKOSA-N 366.486 4.397 0 40 FIAB CCOC(=O)CSc1nnc(C2CCCCC2)n1Cc1ccccc1 6547284 RGKNOGRVXVQZCY-UHFFFAOYSA-N 359.495 4.029 0 40 FIAB COc1ccccc1OCCNC(=O)c1ccccc1Cc1ccccc1 6581947 HWHRNPGZJXIWAQ-UHFFFAOYSA-N 361.441 4.095 0 40 FIAB Cc1cccc(-n2c(N)c(C(=O)NCCc3ccccc3)sc2=S)c1 6659231 NKOUACINOFXONW-UHFFFAOYSA-N 369.515 4.131 0 40 FIAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCN(C)C)c(C)c1 6831555 YZDXXBIMYVKZCN-UHFFFAOYSA-N 366.534 4.129 0 40 FIAB Cc1nc(COC(=O)/C=C/c2cc(Br)ccc2F)cs1 6839564 VUXJMECJMXUGEY-GORDUTHDSA-N 356.216 4.110 0 40 FIAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)c1 7029252 PDFUTDOIBMDVSF-LBPRGKRZSA-N 351.324 4.314 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(-c3ccccc3C)n2C)s1 7393740 HZSUFWHZLUIXJC-UHFFFAOYSA-N 357.504 4.389 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 7639851 ZSCZZKDYZPJLDQ-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1 7882295 SHESCAMDSIABLJ-LJQANCHMSA-N 364.489 4.420 0 40 FIAB Cc1ccc(OCc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393218 ZOMDEHVCGIZGAT-UHFFFAOYSA-N 368.487 4.366 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3cccs3)no2)c1 8922550 NLWVEDZYIDDRCF-OAHLLOKOSA-N 371.462 4.152 0 40 FIAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccncc2)cc1 9192233 DZGIPCZVSJFGQD-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB Fc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10184213 UPVPFSJBXZYAPW-ZDUSSCGKSA-N 354.454 4.278 0 40 FIAB CCn1c(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)nc2ccccc21 12221305 CAFJMHCIAZYWNQ-QFIPXVFZSA-N 367.468 4.069 0 40 FIAB O=C(NCCCc1nc2ccccc2[nH]1)c1cccnc1Oc1ccccc1 12525515 GSVDTXZJVVBWKZ-UHFFFAOYSA-N 372.428 4.113 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)n1 12538972 NWZJHUYZQJMSNI-GOSISDBHSA-N 373.456 4.034 0 40 FIAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 12731747 KYNCNDCQFNBRJV-KXBFYZLASA-N 354.475 4.154 0 40 FIAB COc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)c1OC 12824117 SXTWEZHBDZGEBM-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(F)cc1Cl 12870804 PHKPSQOCZSLLEP-UHFFFAOYSA-N 357.816 4.463 0 40 FIAB Cc1ccc(NC(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12877586 ZRMRGVKBLRBCKG-UHFFFAOYSA-N 352.463 4.253 0 40 FIAB CC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12887746 WZWDHVGHIGRGTC-UHFFFAOYSA-N 362.433 4.345 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 13003889 UWYGSPRKUUBARD-CQSZACIVSA-N 356.853 4.256 0 40 FIAB Fc1ccc(OCc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)cc1 13690634 BJLBFPUFPXTWCK-UHFFFAOYSA-N 365.393 4.052 0 40 FIAB CCOc1ccccc1NC(=S)NCc1ccc(OCC)c(OCC)c1 13754920 LXKDTAPPNPJMQV-UHFFFAOYSA-N 374.506 4.369 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)cc1C 14007655 NVUOTWIVRCZUPT-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1C 14097394 RFUWOIUZYBKMKV-UHFFFAOYSA-N 372.490 4.070 0 40 FIAB COc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1 15332227 ASNBGOQBOFEGEW-OAHLLOKOSA-N 359.900 4.086 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 15796889 KPQORZDJBNDBSG-VBKZILBWSA-N 356.466 4.108 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 18241498 DUQBPGCVBGLBFQ-KDURUIRLSA-N 374.440 4.011 0 40 FIAB O=C(CSc1nc2ccccc2s1)OCc1cc(-c2ccco2)on1 19038672 RLESHVDPKIFASI-UHFFFAOYSA-N 372.427 4.380 0 40 FIAB CC(C)c1nccn1[C@@H](C)C(=O)N1CCC[C@H](COc2ccccc2F)C1 19454279 MCZBVYQAHYZVBH-IRXDYDNUSA-N 373.472 4.024 0 40 FIAB O=C1C[C@H](c2ccccc2OCc2cccc(Cl)c2)c2c[nH]nc2N1 20745124 MZECVZBALGSBAW-OAHLLOKOSA-N 353.809 4.116 0 40 FIAB O=C(NCCc1cccc2cccnc12)c1cc(Br)ccc1F 24983695 XWOVGVKXJXTDMG-UHFFFAOYSA-N 373.225 4.109 0 40 FIAB CCSc1ncc(Br)c(C(=O)Nc2ccc(C)c(C)c2)n1 27743724 WVOBADCHCGCNHD-UHFFFAOYSA-N 366.284 4.220 0 40 FIAB CCOc1cc2c(cc1NC(=O)CSc1ccc(C)cc1)O[C@@H](C)C2 29295072 IDAOOWLIFQLSNH-AWEZNQCLSA-N 357.475 4.448 0 40 FIAB O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccc[nH]c1=S 31312658 LGCRKJQJXDGMFF-UHFFFAOYSA-N 368.433 4.392 0 40 FIAB COc1ccc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)cc1Cl 32070234 VVZFOOPEFZOFOR-UHFFFAOYSA-N 356.809 4.145 0 40 FIAB CCCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 32687109 HOVRFVRNBQGHEE-ZDUSSCGKSA-N 365.882 4.015 0 40 FIAB COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)no1 32830246 ODXDDFIFCDCMQV-NSHDSACASA-N 358.344 4.119 0 40 FIAB CC(=O)c1c(C)cc(C)c(CN2CCN(c3ccccc3F)CC2)c1C 32830883 BIWXYTJWNROWOY-UHFFFAOYSA-N 354.469 4.276 0 40 FIAB COc1ccc(NC(=O)Cc2ccccc2Cl)cc1N1CCCCC1=O 32924841 LVQIHIFPPYVXLK-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB O=C(COc1ccccc1-c1noc(-c2ccccc2)n1)Nc1ccccc1 33324933 RPHGONCLXKLPLQ-UHFFFAOYSA-N 371.396 4.421 0 40 FIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NCc1ccccc1 40050018 VPTKBOQVGBQFMD-UHFFFAOYSA-N 355.488 4.165 0 40 FIAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3cccc4ncccc34)ccc(F)c21 40068628 PCDVLOLKZXGMEW-GFCCVEGCSA-N 364.376 4.081 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 40119457 QVDLEKWLYDDOLN-SFHVURJKSA-N 352.478 4.387 0 40 FIAB Cc1ccc(N(C)C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 40478307 OTQSFQIXSVZDDV-UHFFFAOYSA-N 370.250 4.424 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44873339 NODZEUJMQQEDPW-GOSISDBHSA-N 368.546 4.470 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccccc2C)cc1OCC 44880597 VPSZGPUACZGLGB-GOSISDBHSA-N 371.477 4.266 0 40 FIAB S=c1[nH]c(-c2cccs2)nn1CN1CCC[C@@H]1Cc1ccccc1 45800247 PFTXKNVSEWWNJI-OAHLLOKOSA-N 356.520 4.334 0 40 FIAB Cc1ccc(OCCC(=O)Nc2cc(-c3nnco3)ccc2C)cc1C 47320164 YSOZRAVZQDBSCY-UHFFFAOYSA-N 351.406 4.069 0 40 FIAB CC(C)NC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c3ccccc23)c1 47407416 REDSAVVSPGYKPB-UHFFFAOYSA-N 369.852 4.141 0 40 FIAB COCc1ccccc1CNC(=O)c1cc(C)n(Cc2cccs2)c1C 48332038 DLIIIRZSBWSKET-UHFFFAOYSA-N 368.502 4.291 0 40 FIAB CCOC(=O)c1c(NCc2ccccc2C)c2cccc(Cl)c2[nH]c1=O 49001516 ZYZPFBVSPMCWFU-UHFFFAOYSA-N 370.836 4.279 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)n[nH]2)cc1 51315511 BQEBIZYZRAYAGD-UHFFFAOYSA-N 371.824 4.390 0 40 FIAB COc1ccc(CNc2ncnc3c2oc2ccccc23)c(OC)c1OC 52444725 PPUJIKUDTFLJAH-UHFFFAOYSA-N 365.389 4.014 0 40 FIAB Cc1ccc(CCCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 52992392 DOXZRJSODRSNBO-UHFFFAOYSA-N 370.537 4.005 0 40 FIAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccccc3Cl)c2n1 57315785 DDPYTFFLKNNDCV-UHFFFAOYSA-N 355.850 4.323 0 40 FIAB Cc1cc(C)n(-c2ccc(CNCc3ccncc3)c(C(F)(F)F)c2)n1 58213506 WOAOHNSEHQNEAT-UHFFFAOYSA-N 360.383 4.193 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3ccc(F)c(C(F)(F)F)c3)ccc21 60101239 BXKHXIQKIYAMNZ-UHFFFAOYSA-N 366.314 4.006 0 40 FIAB C[C@@H](Cc1c(F)cccc1F)NC(=O)N[C@H](C)Cc1c(F)cccc1F 65492974 PURSKOMUVBDNNT-TXEJJXNPSA-N 368.374 4.104 0 40 FIAB CCCCN1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 65592808 WPVSRIRDKWPDOD-CYBMUJFWSA-N 373.324 4.141 0 40 FIAB COc1ccc(-c2cc(C[C@@H]3C[C@H](NC(=O)C(C)(C)C)C3(C)C)no2)cc1 67890042 DCSPQHLFIKFBTD-BEFAXECRSA-N 370.493 4.470 0 40 FIAB biogenic,in-vitro COc1cc(S(=O)(=O)Nc2nc3c(C)cccc3s2)ccc1Cl 72414491 WIWZZWJAIDJTMC-UHFFFAOYSA-N 368.867 4.068 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)ccc1F 78413063 GMWRFZWUQUGMNZ-UHFFFAOYSA-N 356.378 4.239 0 40 FIAB Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2SCCc3sccc32)n1 89568358 UPHDPCHCWLADIK-MRXNPFEDSA-N 355.488 4.416 0 40 FIAB O=C(NCC1(c2ccncc2)CC1)c1ccc(OC2CCC2)cc1Cl 92571079 XWJIHYKRZVLCSK-UHFFFAOYSA-N 356.853 4.128 0 40 FIAB Cc1cccc(OCCc2nnc(NC(=O)c3ccccc3)s2)c1C 95116407 CUGLHLPQKPHSDS-UHFFFAOYSA-N 353.447 4.029 0 40 FIAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccsc2)CC3)c1 96049433 WVUCQSIRANDQNF-UHFFFAOYSA-N 354.519 4.214 0 40 FIAB CCCO[C@H]1CCCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 97117629 XMFMOFVIYXTPQB-LBPRGKRZSA-N 360.285 4.389 0 40 FIAB CCCc1cc(-c2cc(O)n3nc(-c4ccccc4OC)c(C)c3n2)no1 100775761 OCFWBZGJIQPQFX-UHFFFAOYSA-N 364.405 4.026 0 40 FIAB O=C1/C(=C/c2cccs2)NC(=S)N1c1ccccc1C(F)(F)F 102226239 IBHXXJOAHBSCMM-FLIBITNWSA-N 354.378 4.029 0 40 FIAB Cc1nc(C2=C(O)CN(c3ccccc3Br)C2=N)sc1C 102734540 KQVFXSZSVHCALS-UHFFFAOYSA-N 364.268 4.289 0 40 FIAB Cc1ccc(NC(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 194743472 JCBJAQPIBVUFDG-ZFWWWQNUSA-N 371.289 4.485 0 40 FIAB CCc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)cc1 224851907 WBICYCGCFOJNAA-UHFFFAOYSA-N 350.506 4.094 0 40 FIAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)N1CCCCC1 224888369 GRNAWKLCWXBQIZ-UHFFFAOYSA-N 363.255 4.049 0 40 FIAB Cc1ccc2oc(CCCC(=O)NCCOc3ccc(Cl)cc3)nc2c1 224949322 VVAYWXQLADIHPK-UHFFFAOYSA-N 372.852 4.308 0 40 FIAB COc1cccc(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 224988813 BNYYXIITJJWDLY-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB COc1cccc(C(=O)NC[C@H](C)Cc2cccc3ccccc23)c1OC 225049394 DHRKTGXTUIVMSR-MRXNPFEDSA-N 363.457 4.466 0 40 FIAB Cc1cc(C)cc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c1 225456001 MIXHPVOUJRGKNE-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB O=C(c1cccc2ccccc12)N1CC[C@H](N2CCc3ccccc3C2)C1 225687020 DQUUMPGFUOQWDW-NRFANRHFSA-N 356.469 4.113 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccccn2)nc1 257246681 IVGYJBKGSQUAKH-OAQYLSRUSA-N 359.429 4.179 0 40 FIAB Cc1ccccc1C1=N/C(=C\c2ccc(C(=O)OCC(C)C)cc2)C(=O)O1 408731437 MNYABSGULIBTHA-UNOMPAQXSA-N 363.413 4.152 0 40 FIAB Cc1cccc(CSCCNC(=O)c2ccc(Br)cc2)c1 408907803 SGGAYSMDUSNXFV-UHFFFAOYSA-N 364.308 4.421 0 40 FIAB Cc1cccc2c1N(C(=O)C1CCCCC1)CCCN(C(C)C)CCNC2 643589251 SVSOYRZHTCUDEM-UHFFFAOYSA-N 371.569 4.112 0 40 FIAB CCSCc1nnc2sc(Cc3cccc(C(F)(F)F)c3)nn12 1775972187 LYFFQCROZYZAPV-UHFFFAOYSA-N 358.414 4.049 0 40 FIAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 623343 RLMROTPNCSNFIQ-UHFFFAOYSA-N 369.490 4.069 0 40 FIAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1 811884 WXRGGRBQOIHCID-UHFFFAOYSA-N 358.397 4.412 0 40 FIAB CCOc1cc(C(=O)NCc2ccc(C)cc2)cc(OCC)c1OCC 995253 NHOMYBCPUDFOML-UHFFFAOYSA-N 357.450 4.121 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)CCC3 1339907 VPOVDQZBVYULBM-UHFFFAOYSA-N 362.498 4.440 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1cccc(Cl)c1)C3 2336583 YODGLXFQZQMYBH-UHFFFAOYSA-N 353.805 4.292 0 40 FIAB CCCCNc1ccccc1C(=O)OCC(=O)c1c[nH]c2ccccc12 3295447 WJZKNOLIUNMVTQ-UHFFFAOYSA-N 350.418 4.420 0 40 FIAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(Oc2ccccc2)cc1 3334256 TYBXDHLABAKTNG-OAHLLOKOSA-N 366.442 4.232 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1 3343535 QJXDVFHZPAYCQF-GOSISDBHSA-N 360.413 4.331 0 40 FIAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2c(C)cc(C)cc2C)cc1 3348692 KIAOHXFQFRXVIA-UHFFFAOYSA-N 368.477 4.254 0 40 FIAB C[C@@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)N(C)c1ccccc1 3485912 YFVCHFQHKNJIQP-GFCCVEGCSA-N 369.515 4.324 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1 3897023 OJSUZBVPMTZNDY-VIFPVBQESA-N 351.269 4.283 0 40 FIAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cn(C)c4ccccc24)N3)C1 4124927 SLKUAWZKJGNYQT-GOSISDBHSA-N 366.490 4.047 0 40 FIAB CC1(C)C2=C(Cl)[C@@H](O)[C@@](Cl)(c3ccccc3)C(=O)N2c2ccccc21 4280429 IPYGTHFYUOHJQC-XLIONFOSSA-N 374.267 4.270 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCCCO2 4524223 ZJZGAOWCPJTWSL-UHFFFAOYSA-N 368.216 4.172 0 40 FIAB COc1ccc2nc(NC(=O)c3sc4nc(C)ccc4c3N)sc2c1 4575532 GQZUQWZKRPQIEP-UHFFFAOYSA-N 370.459 4.058 0 40 FIAB Cc1csc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 4668934 RYALJULEFKBWIZ-UHFFFAOYSA-N 365.480 4.445 0 40 FIAB CCCCCCOCCOCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 4691955 MQUDMBQELAOGLO-RBUKOAKNSA-N 353.547 4.345 0 40 FIAB O=C(CCSCc1ccc(Cl)c(Cl)c1)NCc1ccccn1 4973390 HFGADDHZGILQLD-UHFFFAOYSA-N 355.290 4.328 0 40 FIAB COc1ccc(-c2cc(OC(=O)c3ccco3)cc3sc(=O)oc23)cc1 5389217 LQUOKDZAGNMXSS-UHFFFAOYSA-N 368.366 4.342 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N1CCCCC1=O 5441740 ONCAAQKYWADGSO-UHFFFAOYSA-N 372.852 4.183 0 40 FIAB CCn1c([C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)n[nH]c1=S 5445075 LXVQRHIRXADRNC-LBPRGKRZSA-N 373.309 4.394 0 40 FIAB Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c1 5753547 ZPPYQHZDHPKSMV-UHFFFAOYSA-N 374.440 4.218 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1 6649476 HQIOGLSGNWYJIT-HNNXBMFYSA-N 356.491 4.336 0 40 FIAB CC(C)Cn1c(Cn2ccnc2)nc2cc(NC(=O)c3ccccc3)ccc21 6665586 AZHIIMSBHXOUTG-UHFFFAOYSA-N 373.460 4.189 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 7305750 ZRONRNPHMQRRGK-JTQLQIEISA-N 374.687 4.142 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 7612516 CNJVWHDIKSIPAP-UHFFFAOYSA-N 372.852 4.263 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)NCc3cccs3)o2)cc1C 7736574 REMZMZSISLEQFT-CYBMUJFWSA-N 373.503 4.212 0 40 FIAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)o1 7745200 MRNYMWQJAYHXLR-SNVBAGLBSA-N 356.205 4.387 0 40 FIAB Cc1cc(C(=O)NCc2ccccc2CN2CCCC2)c2ccccc2n1 8011938 KALHXFSBQFDZNP-UHFFFAOYSA-N 359.473 4.069 0 40 FIAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1C1CC1 8327961 LUTCKBXIAYUQRG-UHFFFAOYSA-N 370.522 4.020 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 8428905 RCLWBQBTSNWYRE-UHFFFAOYSA-N 359.429 4.114 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)ccc1Cl 8558299 FRXZNMVFGCHCRO-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nccn2Cc2ccccc2)c1C 8746269 BTZFIDKQQIDHLJ-UHFFFAOYSA-N 367.474 4.054 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)[C@@H](NC(C)=O)C(C)C)sc2C)cc1 8778125 NAWHCDHHCBYRDB-KRWDZBQOSA-N 373.522 4.170 0 40 FIAB CCCCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 9062136 KHQQOBPPTMXUHA-UHFFFAOYSA-N 364.405 4.118 0 40 FIAB Cc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1-c1ccccc1 9668989 UKIQRLUQPRKNCV-UHFFFAOYSA-N 366.490 4.430 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 10260390 RASBAHADXPUUFO-UHFFFAOYSA-N 356.376 4.253 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)NCCSCc1ccccc1F 10280341 YILNBISAVUWDIQ-HNNXBMFYSA-N 363.523 4.497 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1 10684256 RLWQWQXWVYCAMW-HNNXBMFYSA-N 354.450 4.256 0 40 FIAB O=C(NCc1ccccc1COc1ccccc1)c1n[nH]c2ccccc12 11454558 RMUHHFQXFUVZQP-UHFFFAOYSA-N 357.413 4.072 0 40 FIAB O[C@H](CN1CCCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421975 FIOBYMQSTLWAEX-MRXNPFEDSA-N 360.929 4.410 0 40 FIAB O=C(Cc1cn2ccccc2n1)Nc1nc(-c2ccc(Cl)cc2)cs1 12552073 KPMMNVLNHWTYHP-UHFFFAOYSA-N 368.849 4.292 0 40 FIAB Cc1ccc(-c2csc(NC(=O)Cc3cn4ccsc4n3)n2)cc1C 12556897 CXJSRDMAYMOXHV-UHFFFAOYSA-N 368.487 4.317 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1c(F)cccc1F 12559668 KDIRPYAHGRQBAZ-CQSZACIVSA-N 359.420 4.394 0 40 FIAB CCC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1 12735542 ZJCSNKWMKXZWKG-UHFFFAOYSA-N 362.458 4.257 0 40 FIAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccc2ccccc2c1 12748185 DEINDGDWINWVOR-UHFFFAOYSA-N 357.397 4.239 0 40 FIAB Cc1nc(-c2ccco2)nc2sc(C(=O)NCCCOC(C)C)c(C)c12 12819472 TZEWSGJYKHTAGQ-UHFFFAOYSA-N 373.478 4.113 0 40 FIAB O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12975531 WSWMVRLCPMCQBF-IZZDOVSWSA-N 368.864 4.231 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 13758786 WVABFNXIPMDRAJ-KCZVDYSFSA-N 371.427 4.473 0 40 FIAB COc1cc(NC(=O)c2ccc3c4c(cccc24)CC3)cc(OC)c1OC 14064702 PICGLCNWEMLKND-UHFFFAOYSA-N 363.413 4.217 0 40 FIAB CC(=O)NCCc1ccc(C(=O)c2oc3ccc(Cl)cc3c2C)cc1 14239742 RZOWNOWQFZXHLE-UHFFFAOYSA-N 355.821 4.304 0 40 FIAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)c1C 14898332 MOTRSMNFELUCAB-UHFFFAOYSA-N 360.417 4.406 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2csc(C)n2)cn1C 16200199 NVGGGSPKCQZAFX-UHFFFAOYSA-N 361.854 4.371 0 40 FIAB COc1nc2cc(C)ccc2cc1CN(CCN(C)C)Cc1cccs1 19234258 MMPWRXWEWDMWNW-UHFFFAOYSA-N 369.534 4.177 0 40 FIAB Fc1ccc2[nH]c3c(c2c1)CCN1[C@H](c2ccccc2F)N2CCC31CC2 19330991 NSVVUYZGDAKGGK-OAQYLSRUSA-N 365.427 4.308 0 40 FIAB CCN(CC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(Br)s1 19542435 LFTGXXDZJKEYSL-JSGCOSHPSA-N 373.360 4.027 0 40 FIAB CCCSc1nc(=O)c2c3c(sc2[nH]1)CN(Cc1ccccc1)CC3 19860401 JHOSKAMSXCVRBY-UHFFFAOYSA-N 371.531 4.045 0 40 FIAB aggregator CCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(Cl)cc1 20029952 LQFJEHYFANDQQB-LLVKDONJSA-N 374.289 4.432 0 40 FIAB c1csc(-c2nc(NCc3nnc4ccccn34)c3ccccc3n2)c1 20669199 LYPZMFVDDHASBX-UHFFFAOYSA-N 358.430 4.013 0 40 FIAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3cccc(OC)c3)nc2c1 21579626 HITXENFGUMXTDE-UHFFFAOYSA-N 369.446 4.117 0 40 FIAB COc1ccc(Nc2nc(NCc3ccc(C)cc3)nc3c2cnn3C)cc1 21873709 BYLLLMIBADREMF-UHFFFAOYSA-N 374.448 4.036 0 40 FIAB CC1=Nc2ccccc2NC2=C1C(=O)NC[C@H](c1ccc(Cl)cc1)C2 22607156 IYTXMNHOQDIMFK-CQSZACIVSA-N 351.837 4.416 0 40 FIAB COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc12 22890407 JPBXVQPAESYDIA-CQSZACIVSA-N 360.479 4.007 0 40 FIAB O=C(Nc1ccccc1SCC(F)(F)F)[C@@H]1Cc2ccccc2O1 22972659 ZFDJZNOJPLEWLV-AWEZNQCLSA-N 353.365 4.283 0 40 FIAB COc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)c(OC)c1 23260297 ZDWQRXZVXCZARQ-UHFFFAOYSA-N 361.441 4.480 0 40 FIAB CCc1ccccc1-n1cnnc1SCC(=O)Nc1cccc(C)c1C 24370384 MJOVSBVMGYGHLY-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB O=C1c2ccccc2C(=O)N1CCCCN1CCC[C@H]1c1ccc(F)cc1 25361174 ZPPXUEJCBYXXMF-FQEVSTJZSA-N 366.436 4.039 0 40 FIAB C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)N[C@H](C)c1ccccc1 28230005 LOISOIQRKPLVKT-QWHCGFSZSA-N 365.399 4.293 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1cccc(N2CCCC2=O)c1 28912142 UABUCLPKQVQZSN-AWEZNQCLSA-N 371.868 4.214 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1Cl 32192154 RJKCWKZZROXVCU-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccc(F)cc3)c2s1 32616357 RCAJCQCQZOVQBL-UHFFFAOYSA-N 357.435 4.077 0 40 FIAB Cc1c(Br)c(C(=O)Nc2cccc(Cl)c2Cl)nn1C 32647634 OSBPMRLQLARJLY-UHFFFAOYSA-N 363.042 4.050 0 40 FIAB Cc1ccccc1CC(=O)N[C@@H](C)c1ccc(OCc2cccnc2)cc1 32677187 QPFRCROEBRJESX-SFHVURJKSA-N 360.457 4.389 0 40 FIAB COc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 32923768 LIEVSOGFYITJSJ-UHFFFAOYSA-N 364.898 4.261 0 40 FIAB CCCN(CCC)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O 33908408 GMJKFGGJDVELDR-PTNGSMBKSA-N 352.887 4.456 0 40 FIAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCCOc3ccccc3F)c2C1 35316589 VBWCSQBSLDLJPD-CQSZACIVSA-N 374.456 4.164 0 40 FIAB CC(C)(C)SCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38852170 SILAZCKKSKLMSZ-MRXNPFEDSA-N 368.974 4.200 0 40 FIAB Cc1oc(C)c(C(=O)NCc2ccccc2CN2CCC[C@H](C)C2)c1C 40112281 CBYQNQLRMNDYLZ-HNNXBMFYSA-N 354.494 4.367 0 40 FIAB O=C(Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1)C1CCCCC1 41076507 ACSZSBGNOWAOTF-UHFFFAOYSA-N 361.858 4.025 0 40 FIAB O=C(Nc1ccn(Cc2ccccc2)n1)N1CCC[C@H]1c1ccsc1 48288429 ZTJTTYOLEJPAFS-KRWDZBQOSA-N 352.463 4.362 0 40 FIAB COCc1nc2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc2[nH]1 49543224 NCKHEUNQLPZRHH-UHFFFAOYSA-N 362.433 4.152 0 40 FIAB biogenic CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1OC)CO3 54278246 XQPLTWHGJOZJJA-UHFFFAOYSA-N 365.429 4.025 0 40 FIAB biogenic O=C(CNC(c1ccccc1)c1ccccc1)Nc1c(F)cccc1F 57911473 RJZHZDYOGFYNRN-UHFFFAOYSA-N 352.384 4.283 0 40 FIAB CC(C)CNC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 58324995 OWPOWBXBJRLMPX-UHFFFAOYSA-N 364.243 4.414 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C[C@@H](C)O)c1ccccc1 65514903 FUBPTGLOGHVYJN-OAHLLOKOSA-N 355.869 4.222 0 40 FIAB Cc1cc(C)n(-c2nc3cc(NC(=O)c4cccs4)ccc3s2)n1 72229671 BAVLDVGSFYAHIT-UHFFFAOYSA-N 354.460 4.413 0 40 FIAB O=C(NOCc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 72233923 VMXFEPBXSFLUMQ-UHFFFAOYSA-N 367.474 4.317 0 40 FIAB Cc1ccccc1C1(O)CCN(C(=O)C[C@H](C)c2ccc(F)cc2)CC1 72301397 ONUUPULVIJEFBD-KRWDZBQOSA-N 355.453 4.138 0 40 FIAB Cc1cccc(C2(O)CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1C 76041682 QHGPLXMAXPYJMU-UHFFFAOYSA-N 367.533 4.330 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(CCNC(=O)Cc2ccccc2F)cc1 79070631 BRUSOALGMOGCID-UHFFFAOYSA-N 372.440 4.074 0 40 FIAB CC(C)n1c(SCC(=O)Nc2nc3c(s2)CCC3)nc2ccccc21 84633113 GFMBTGFJRJDFDU-UHFFFAOYSA-N 372.519 4.293 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 84636454 MVIYCFGXXOCZHT-HOCLYGCPSA-N 372.465 4.198 0 40 FIAB CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 89942074 FNNVYISECAMQED-BUXKBTBVSA-N 370.440 4.083 0 40 FIAB O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)c2c(ccc3nsnc23)O1 96231838 YXJLCICZJPJKAS-JTQLQIEISA-N 366.320 4.031 0 40 FIAB COc1ccc(C[C@@H]2CCCN2C(=O)/C=C(\C)c2ccc(F)cc2)cc1 98055472 HENFSCOQQKPOAF-VISDOYDDSA-N 353.437 4.471 0 40 FIAB COc1ccc(-c2cn3c(n2)c(C2=NCCC2)c(O)n3-c2ccccc2)cc1 100931013 LZFGMPIZLNTORN-UHFFFAOYSA-N 372.428 4.089 0 40 FIAB O=C(O)[C@H]1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 108654942 OUSSJHVPDFGCHC-UXHICEINSA-N 351.446 4.106 0 40 FIAB CN(Cc1nc2ccccc2n1C)C(=O)Cc1c(Cl)cccc1Cl 109978101 BGIFXKRDSVALHW-UHFFFAOYSA-N 362.260 4.081 0 40 FIAB CCCCn1cc(C(=O)OCC)c(=O)c2cc(F)c(C(F)(F)F)cc21 199738250 FYKVFZQWFAATLM-UHFFFAOYSA-N 359.319 4.136 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C)cc1)c1ccc(OC)c(OC)c1 219597783 WBCNAHNLNDYIMZ-RBUKOAKNSA-N 371.477 4.437 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1 222738915 NNKDVSRUYOJURX-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222958908 YZBXFCJGPGQHDG-ROUUACIJSA-N 356.539 4.411 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1 224055809 FOZIUPLVENWEGN-SECBINFHSA-N 357.888 4.098 0 40 FIAB CCOCc1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1OCC 224701065 HHWUGYNKSJFSJH-KRWDZBQOSA-N 355.478 4.373 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OC)c(C)c1)CC(C)(C)O2 225281089 LOTGRQMWHUOOKL-KRWDZBQOSA-N 355.434 4.044 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1C 225473344 QLIJLIVDIZPLMW-ZDUSSCGKSA-N 360.454 4.358 0 40 FIAB O=C(NCc1ccnc(-c2cccnc2)c1)c1cc2cc(F)ccc2s1 225640135 DTWNPCKJNJYCFE-UHFFFAOYSA-N 363.417 4.427 0 40 FIAB O=C(NCc1ccnc(-c2cccnc2)c1)Nc1ccccc1C(F)(F)F 225641229 QRBAZMIJMFQBKU-UHFFFAOYSA-N 372.350 4.484 0 40 FIAB CC(C)(Cc1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 225815793 VBGRXSXDCHHLLR-UHFFFAOYSA-N 351.368 4.222 0 40 FIAB Cc1ccc2oc(=O)c(C(=O)Nc3ccccc3Br)cc2c1 226036488 SODIVFHFCDWBDN-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)cc1 243762592 QCQZJZLLRDAVFF-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(F)c(Cl)c2)O[C@@H]2CCCC[C@@H]12 257254482 KDFXRENDZDQJNU-OKDNKWQNSA-N 369.864 4.021 0 40 FIAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O 409097847 NRCVBFOIMHCURG-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB COc1ccc([C@@H](NC(=O)Nc2ccccc2C(C)(F)F)C2CC2)cn1 529112974 VVRBDOKQRDYLOT-KRWDZBQOSA-N 361.392 4.475 0 40 FIAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN([C@@H](C)c2ccccc2)CC1 583615895 KHVLKHAUKQEHPA-FUHWJXTLSA-N 371.481 4.010 0 40 FIAB COc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 640021 XLBBKDGDSHTIOM-INIZCTEOSA-N 374.440 4.439 0 40 FIAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(F)cc1 722647 FQNUHESRFATASY-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1C 952126 QDKXDKVFHWQROB-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCOC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1 956080 VKYAKCBBJPXUGW-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccccc1Cl 1340569 XSYCECHEZCUKDJ-UHFFFAOYSA-N 351.837 4.451 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCOC12CCCCC2 1384332 QOMNRMLVTKOVDX-UHFFFAOYSA-N 360.841 4.436 0 40 FIAB Cc1ccc(C)c(NC(=S)N2CCN(c3cccc(Cl)c3)CC2)c1 1406134 SUQIYNPRSTZLLP-UHFFFAOYSA-N 359.926 4.476 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)c1 3244639 ADMRXQWZAAFGLM-UHFFFAOYSA-N 353.752 4.031 0 40 FIAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1C(F)(F)F 3275536 QLUBGNBTYJZJPK-UHFFFAOYSA-N 374.318 4.049 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1cccs1)c1ccc(Cl)cc1Cl 3419893 RYXNGKORVZROKM-SECBINFHSA-N 358.246 4.089 0 40 FIAB CCc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)C(C)C)s2)cc1 3532130 RZSAVWMPFAAUMK-LBPRGKRZSA-N 364.540 4.097 0 40 FIAB COc1ccc(C(=O)NCCn2c3ccccc3c3c(C)cc(C)nc32)cc1 3765480 WJCYDMFARJQQHI-UHFFFAOYSA-N 373.456 4.245 0 40 FIAB CN(C)CCN(C(=O)/C=C/c1ccccc1)c1nc2ccc(F)cc2s1 4359153 DQRNTIIKBLTQPT-DHZHZOJOSA-N 369.465 4.043 0 40 FIAB CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccco1 4384752 DFUHPBKZGIUTMI-UHFFFAOYSA-N 366.446 4.323 0 40 FIAB COc1ccc(OC)c([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1 4571546 NXJHHZZPLVRTHF-BTDLBPIBSA-N 358.463 4.319 0 40 FIAB O=C(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccco1 4939947 RCDPSIOLSPKGID-UHFFFAOYSA-N 362.433 4.369 0 40 FIAB CC(=O)O[C@H]1CCC2=C(CC[C@@H](F)[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]32)C1 4962089 SACAISKSNDEHAS-GMGMDLJCSA-N 350.474 4.334 0 40 FIAB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 5228342 AIBWHDYZKNWYQQ-VRBBIHERSA-N 354.490 4.453 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(Cl)cc3)c2=O)c1 5269997 RTZIUYIXEQINMV-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB C=C1c2cc3c(cc2CCN1C(=O)c1cc(Cl)ccc1Cl)OCO3 5351219 SGUJIKHFUZXDTB-UHFFFAOYSA-N 362.212 4.391 0 40 FIAB Cc1cc(NC(=O)CSc2ccc(-c3cc(C)c(C)cc3C)nn2)no1 5411942 QXKGDZBUYKABBU-UHFFFAOYSA-N 368.462 4.096 0 40 FIAB Cc1ccc2c(CSc3nnc(-c4ccco4)n3C)cc(=O)oc2c1C 5863578 XDXGKKQIPJEXPW-UHFFFAOYSA-N 367.430 4.091 0 40 FIAB C[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(Br)cc1 6151709 CKUSDWIMYKZOSX-LLVKDONJSA-N 368.658 4.359 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1F 6603761 CIGYSXSWKBZYRK-KBXCAEBGSA-N 358.413 4.105 0 40 FIAB C[C@H](Sc1ncccn1)C(=O)Nc1ccc(OCc2ccccc2)cc1 6912902 AZWVASVXIVIYJP-HNNXBMFYSA-N 365.458 4.175 0 40 FIAB Cc1ccccc1C(=O)OCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 6915257 OPAWZNWTLNXIEC-GFCCVEGCSA-N 366.244 4.336 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(C)(C)C)ccc2OC)c1C 6998236 RZTLHTWSZYAPQV-UHFFFAOYSA-N 372.465 4.367 0 40 FIAB O=C1CN(c2cccc3ccccc23)C(=O)CN1c1cccc2ccccc12 7986571 ZUXLUJAYEWYCRX-UHFFFAOYSA-N 366.420 4.373 0 40 FIAB C[C@@H]1Oc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2NC1=O 8014247 VYOVBMCNPBNDQE-HNNXBMFYSA-N 372.424 4.177 0 40 FIAB COc1cc(NC(=O)c2ccc(-n3nccc3C)cc2)c(OC)cc1Cl 8031977 DZMUFXZASWMUJF-UHFFFAOYSA-N 371.824 4.104 0 40 FIAB Cc1nc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc2o1 8110283 PVSXTNKVGZRIOV-UHFFFAOYSA-N 358.463 4.479 0 40 FIAB Fc1ccc(-c2nc(Cn3nnc(-c4ccc(Cl)cc4)n3)cs2)cc1 8769669 XEIPFFIENRGMKJ-UHFFFAOYSA-N 371.828 4.304 0 40 FIAB O=C(Nc1cccc(Cl)c1)Nc1nnc(COc2ccccc2)s1 8856448 LXIAEDVPVXIQMH-UHFFFAOYSA-N 360.826 4.415 0 40 FIAB COc1cccc2cc(C(=O)Nc3nc4cc5c(cc4s3)OCO5)oc12 9133636 ZZAPDZMLSNFUKB-UHFFFAOYSA-N 368.370 4.032 0 40 FIAB O=C(CSCC(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1 9235088 WMIZFQOJQFOXBL-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB Cc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)o1 11035979 CSUDFUBWVPOGSJ-FQEVSTJZSA-N 374.400 4.338 0 40 FIAB CCCSc1ncc(Br)c(C(=O)Nc2cccc(C)c2)n1 11916169 NJNQFAPWINBJIT-UHFFFAOYSA-N 366.284 4.302 0 40 FIAB CC(C)c1cc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)n(C)n1 12188137 OYCLTHBPHQOBSA-SFHVURJKSA-N 362.477 4.112 0 40 FIAB O=C(COc1ccc(F)cc1Cl)NCc1ccc(C(F)(F)F)cc1 12623992 CEITULDXNLYNTJ-UHFFFAOYSA-N 361.722 4.193 0 40 FIAB O=C(NCc1ccccc1OC(F)F)C1(c2ccc(Cl)cc2)CC1 12788611 ZUHMVZBGXDNLKE-UHFFFAOYSA-N 351.780 4.289 0 40 FIAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)c1 12896148 ZCMPDKLRIFGZBI-UHFFFAOYSA-N 364.489 4.025 0 40 FIAB Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)CCO4)cs2)c1 12938962 QWIIAAXUXSKYIR-UHFFFAOYSA-N 350.443 4.235 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC[C@H]2CCCC[C@@H]21 12977642 HGLFRRFOBPATBB-NQIIRXRSSA-N 374.488 4.274 0 40 FIAB CC(C)c1ccccc1NC(=O)CN(C)Cc1cnn(-c2ccccc2)c1 14021775 NIEFQMQTXYVYFV-UHFFFAOYSA-N 362.477 4.066 0 40 FIAB C/C=C/C(=O)Nc1ccc(C(=O)Nc2c(C)nn(CCCC)c2C)cc1 14405341 ZXUBTXHQISTYDK-SOFGYWHQSA-N 354.454 4.067 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccccc2)cc1 16032403 RTQPKUXSROKHRJ-FUPPJEDESA-N 365.473 4.204 0 40 FIAB biogenic Cn1cc(-c2csc(NC(=O)C3CCCC3)n2)c(-c2ccccc2)n1 19697050 XGPGJGTVJNLWTN-UHFFFAOYSA-N 352.463 4.339 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)N[C@@H](C)c1ccc(SC)cc1 20030280 HUMACCJRIGOJHM-FNDVETGQSA-N 357.475 4.316 0 40 FIAB COc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20326156 VQPKXHSKRFRZOU-UHFFFAOYSA-N 354.479 4.117 0 40 FIAB O=C(NCc1ccccc1OC(F)(F)F)C12CC3CC(CC(C3)C1)C2 22428454 CAKQTHVYSKATLA-UHFFFAOYSA-N 353.384 4.418 0 40 FIAB O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCc2ccccc21 22913887 XIJLMMHLYCSAEG-UHFFFAOYSA-N 368.480 4.448 0 40 FIAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2N2CCCC2)cc1 23704137 BEABQNTUGWNWGX-UHFFFAOYSA-N 366.486 4.285 0 40 FIAB COC(=O)c1cc(CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)oc1C 24281524 MROBWJPWDNDWMG-UHFFFAOYSA-N 374.195 4.093 0 40 FIAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3)cc2c1 25804686 OVLVFCVSRVQZHT-UHFFFAOYSA-N 361.445 4.404 0 40 FIAB C[C@@H](NC(=O)N[C@H](C)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 26242944 VQCXMMGMONKKHH-CHWSQXEVSA-N 357.479 4.218 0 40 FIAB Cc1nc2cc(NC(=O)Cc3csc(Cc4ccccc4)n3)ccc2o1 32804875 HDXXMDIJPQBECS-UHFFFAOYSA-N 363.442 4.365 0 40 FIAB O=C(OCc1cn2ccccc2n1)c1ccc(COc2ccc(F)cc2)o1 32910372 KBEPHNYGEPUYJD-UHFFFAOYSA-N 366.348 4.002 0 40 FIAB CCC(CC)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 32937692 YKHXHICEURTFNA-FQEVSTJZSA-N 354.450 4.392 0 40 FIAB CC(C)c1nc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cs1 33242233 FUBHOTFJJXDEMN-UHFFFAOYSA-N 369.446 4.293 0 40 FIAB CCC1(CC)O[C@H]2c3cc(OC)c(OC)cc3C(=O)N2c2ccccc21 35326805 ROZNMSFWVYTQEB-FQEVSTJZSA-N 353.418 4.408 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1cnc(-c2ccccc2)nc1 40023380 WAZLUHYMSAOHLD-UHFFFAOYSA-N 358.376 4.392 0 40 FIAB CCN(Cc1ccccc1)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 40104819 ZNZBKNJSBQJBAP-UHFFFAOYSA-N 365.477 4.285 0 40 FIAB C[C@@H](C(=O)NCc1ccnc(Oc2ccccc2)c1)n1cnc2ccccc21 40110621 MGQJYNPDXAXYKA-INIZCTEOSA-N 372.428 4.101 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cn1)c1ccc(Cl)c(Cl)c1Cl 41095701 YIEONAINMFIXCB-UHFFFAOYSA-N 372.060 4.496 0 40 FIAB COc1ccc(C)cc1NC(=O)CNC(c1ccccc1)c1ccccc1 57364133 GBNKLCACTGLIEK-UHFFFAOYSA-N 360.457 4.321 0 40 FIAB CCCn1c(CN2CCC(O)(c3ccc(C)cc3)CC2)nc2ccccc21 57822784 PLIVDKPWTFYZIV-UHFFFAOYSA-N 363.505 4.238 0 40 FIAB Cc1cccn2cc(CC(=O)Nc3cnccc3Oc3ccccc3)nc12 58432245 LYRPVLADEYTQDE-UHFFFAOYSA-N 358.401 4.011 0 40 FIAB O=S(=O)(CCOc1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 70637760 GZPSCKPLUCRDSH-UHFFFAOYSA-N 365.454 4.079 0 40 FIAB COc1ccc(CC(=O)N(c2ccccc2)C2Cc3ccccc3C2)cc1 72307566 UORBYWFKVHAHRV-UHFFFAOYSA-N 357.453 4.438 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72349105 BAGDPGWIOXBVKM-FQEVSTJZSA-N 357.457 4.087 0 40 FIAB COc1ccc(Oc2cncc([C@@H]3CCCN3Cc3ccccn3)n2)cc1 72383649 YFGOXWSAJOTXIK-FQEVSTJZSA-N 362.433 4.010 0 40 FIAB CSc1nc(Cl)ccc1C(=O)Nc1ccc(OCC(C)C)nc1 75108950 YAPMTQKOEHYGGJ-UHFFFAOYSA-N 351.859 4.139 0 40 FIAB CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1F 85397550 JZPCFNGEWWMOSC-UHFFFAOYSA-N 372.421 4.287 0 40 FIAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1c(F)cccc1F 89385734 HCTMAVVCQKSEQK-LJQANCHMSA-N 354.356 4.349 0 40 FIAB C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1)c1nc(-c2ccccc2)no1 89953327 UZMOQSKWWMXKOJ-NSHDSACASA-N 359.788 4.063 0 40 FIAB COc1ccc(O)c(C(=O)[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)c1 100394061 INLBTJWNEMKYDO-NRFANRHFSA-N 373.408 4.294 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@H](C)COc2ccccc2C)c1 219302123 DRFDEDZXEXFGEB-IEBWSBKVSA-N 355.478 4.271 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccc2c(c1)CCCC2 223077445 ZUBVCWUGNVSGIU-HXUWFJFHSA-N 361.482 4.275 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCC(C)C)c1ccccc1 223342087 DHYFZWXQQIQZBW-JOCHJYFZSA-N 366.505 4.329 0 40 FIAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 224138174 GDNKPMJLMLEIJB-INIZCTEOSA-N 361.869 4.228 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccccc1Cl 225448826 SDNHFAVQQJSMLR-UHFFFAOYSA-N 356.882 4.321 0 40 FIAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc2c(c1)CCCC2 225635173 APWVPBMYKFHAGS-UHFFFAOYSA-N 367.836 4.199 0 40 FIAB Cc1c(Cl)cccc1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225734089 JCMIXLXNENTFBX-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB O=C(NCc1cccc2ccccc12)c1cn2c3c(cccc3c1=O)CCC2 225859809 ARHSWXIDLUNADS-UHFFFAOYSA-N 368.436 4.031 0 40 FIAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NC2CCCCCC2)n1 226010897 XCQJQVFJFCKGNP-UHFFFAOYSA-N 361.559 4.031 0 40 FIAB Clc1ccccc1CN1CCN(c2ccc(-n3cccc3)cc2)CC1 226245847 LUDLGEAAVPBQMT-UHFFFAOYSA-N 351.881 4.453 0 40 FIAB O=C(NCCCOc1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 255188482 KDFWCHLKJZMCPG-UHFFFAOYSA-N 374.440 4.138 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)cc3)C(=O)[C@@H]2C1 408679205 GHLZQVOTLNOMMR-PKOBYXMFSA-N 374.440 4.093 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408714260 MLQOTYPHTLLARE-OAHLLOKOSA-N 367.474 4.184 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)Cc2ccccc2Cl)c2ccsc2)n1 618256110 NIQPDVFAKYJKJL-SFHVURJKSA-N 373.909 4.163 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)NCc2ncc(C(C)(C)C)o2)cc1 673777656 UBNRIACJHOSGCB-APWZRJJASA-N 371.481 4.000 0 40 FIAB O=C(Nc1nnc(-c2ccc(OC(F)F)cc2)s1)c1cccs1 1775975345 HMVZAJJNRXOBGK-UHFFFAOYSA-N 353.375 4.120 0 40 FIAB Cn1nccc1-c1ccc(CCNC(=O)Nc2ccccc2Cl)cc1 1889273840 NLEAZCZBYCYUQP-UHFFFAOYSA-N 354.841 4.105 0 40 FIAB CCn1cc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)cn1 649051 YMVHEAYWKREKFR-UHFFFAOYSA-N 354.262 4.355 0 40 FIAB O=C(Nc1ccc2ccccc2c1)c1ccc(I)o1 659019 DNMQCPTXOYPDRB-UHFFFAOYSA-N 363.154 4.290 0 40 FIAB CC(C)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901070 SRJIQJOOYDREQM-NSHDSACASA-N 369.412 4.168 0 40 FIAB O=C(CSc1cc(Cl)ccc1Cl)Nc1nnc(C2CC2)s1 2645847 OLICJDKVANAXQQ-UHFFFAOYSA-N 360.291 4.453 0 40 FIAB CCCCn1c([C@@H](C)NC(=O)COc2ccccc2)nc2ccccc21 2721311 ZOIXPTKVFBDRRU-MRXNPFEDSA-N 351.450 4.093 0 40 FIAB Cc1cccc(C(=O)NCc2cccc(CNC(=O)c3cccc(C)c3)c2)c1 2747636 FMBPMPJZYGTHHM-UHFFFAOYSA-N 372.468 4.163 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2ccc3c(c2)OCCO3)c(Cl)c1 3605543 LKRLXERKNWYXSK-UHFFFAOYSA-N 363.866 4.459 0 40 FIAB COc1ccc(-c2ccc(SCC(=O)c3ccccc3)nn2)cc1OC 4355696 KAXBUVSEPSUHHR-UHFFFAOYSA-N 366.442 4.136 0 40 FIAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 4468470 GLSUUYVXSNWPDM-KRWDZBQOSA-N 367.207 4.100 0 40 FIAB CC(C)(COC(=O)c1cccs1)NC(=O)C12CC3CC(CC(C3)C1)C2 4512173 AWKSVZIAXRFHHN-UHFFFAOYSA-N 361.507 4.016 0 40 FIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCCc2ccccc2)cc1 4598954 FHSBIDGOYLEMNL-PMACEKPBSA-N 367.445 4.138 0 40 FIAB CCc1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 4700190 LFZLNELXDFXYDT-UHFFFAOYSA-N 350.506 4.086 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270428 JBWKXRASLJRKSD-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB COc1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c(OC)c1OC 5321598 HNHWUUZVRGYAAB-XSXQVXRUSA-N 359.510 4.407 0 40 FIAB Cc1cc(C)nc(SCC(=O)OCc2csc(-c3ccccc3)n2)n1 6947944 BDBGKTIKNQEVRY-UHFFFAOYSA-N 371.487 4.052 0 40 FIAB CN(C)c1ccc(/C=C/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 6948723 ZMGJMQJBKAWORL-WYYKBDRYSA-N 373.909 4.314 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3cccn3-c3cccc(C)c3)C2=O)c1 6967276 VAYNXXDXZVDBGD-KGENOOAVSA-N 371.440 4.187 0 40 FIAB COc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1F 7089127 DNABZURFURRSMZ-INIZCTEOSA-N 374.393 4.022 0 40 FIAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1Br 7667379 GTHPTQPPODVCOR-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O 7928185 IRCUNDFEGDVOQD-OXJNMPFZSA-N 364.489 4.042 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8041082 MVGCGEAHXHOKMH-DLBZAZTESA-N 368.477 4.238 0 40 FIAB CSc1ccc(OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1 8315768 ODCSBVAFQICJFB-UHFFFAOYSA-N 356.447 4.374 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 8498725 CSKVDCVIRJZSSK-GOSISDBHSA-N 357.519 4.429 0 40 FIAB CC[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1 8705527 QYULEQUQKSMIRF-INIZCTEOSA-N 370.453 4.131 0 40 FIAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc2ccccc2c1 8909788 TVTMEZBXPZJJPL-IBGZPJMESA-N 374.440 4.001 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 9198913 BYJLWZRAUOVWLI-UHFFFAOYSA-N 353.447 4.008 0 40 FIAB O=C(NCc1cccnc1)c1cc2sc(Nc3ccccc3)nc2s1 10165600 SGDVMTSZCNTBEP-UHFFFAOYSA-N 366.471 4.426 0 40 FIAB Nc1cc2ccccc2nc1C1CCN(C(=O)CCc2ccccc2)CC1 12087762 OARRNEFBHVDPFT-UHFFFAOYSA-N 359.473 4.156 0 40 FIAB CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1OC 12583651 XWUWSXCFWWBXJC-UHFFFAOYSA-N 354.431 4.470 0 40 FIAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)Nc1cccc(F)c1 12902476 HAQPHKCQZDJOFF-UHFFFAOYSA-N 355.385 4.119 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccc(CSC)cc1)O[C@@H](C)C2 12929959 NNFVGWLPFXJRED-AWEZNQCLSA-N 371.502 4.202 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCCN1C(=O)c1cccs1 13014703 HBWZUOHWKBDZKD-CQSZACIVSA-N 366.845 4.174 0 40 FIAB C[C@@H]1CCCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)[C@@H]1C 13996978 AOWYYPBYAPIMFX-CBGDNZLLSA-N 372.553 4.166 0 40 FIAB COc1cccc2c(C)cc3nnc(SCC(=O)c4cccs4)n3c12 15832000 DVVNYAUKKWCBGK-UHFFFAOYSA-N 369.471 4.236 0 40 FIAB Cc1ccc2c(CN(C)Cc3ccc(OC(F)F)cc3)cc(=O)oc2c1 16587291 SQQKAFJSXLRWFK-UHFFFAOYSA-N 359.372 4.335 0 40 FIAB CCOc1ccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccc(C)cc2)cc1 16852013 OWTQNOTUBGZRSO-HSZRJFAPSA-N 365.497 4.044 0 40 FIAB CN1CC[C@H](CN(C)Cc2ccc(C3=CC(C)(C)NC(C)(C)C3)s2)C1 19460843 FDLPYMZCFDMIMY-INIZCTEOSA-N 361.599 4.066 0 40 FIAB CCCc1cc(C(=O)N2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cs1 19525242 ZXHBSEMKTSSTNL-UHFFFAOYSA-N 368.506 4.300 0 40 FIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 20461167 WNRFZUWQNHAUFE-MRXNPFEDSA-N 355.478 4.467 0 40 FIAB CCOc1ccc(CCC2CCN(C(=O)c3ccccc3O)CC2)cc1 22131091 XBEJIZRTNCYKBN-UHFFFAOYSA-N 353.462 4.276 0 40 FIAB CN(C)c1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cn1 22418824 UCUZJEBFEUNQOD-UHFFFAOYSA-N 369.428 4.010 0 40 FIAB CC(=O)NCCCc1ccc(-c2csc(NC(=O)C3CCCC3)n2)cc1 25738457 RQPAOKTVIYUIDZ-UHFFFAOYSA-N 371.506 4.008 0 40 FIAB Cc1nccn1-c1ccc(NC(=O)c2ccccc2Br)cc1 28305277 HJIGZJLQVWNBAG-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccsc1 31987242 SUWOVEMSCLELTJ-INIZCTEOSA-N 354.878 4.354 0 40 FIAB O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCCC1 36366452 UXEFHQPKVFCSJM-OAQYLSRUSA-N 374.484 4.366 0 40 FIAB CC[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 36489977 ZVXWUHKBDMRVFC-PMUMKWKESA-N 360.498 4.462 0 40 FIAB Cc1ccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2N)cc1F 38486692 SURCPAYKIQSWHC-UHFFFAOYSA-N 351.410 4.088 0 40 FIAB COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 38835065 PSEFTLFRWPSOHD-INIZCTEOSA-N 358.869 4.199 0 40 FIAB COCCSCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 40067141 PXTQYJQTVMLXMV-UHFFFAOYSA-N 366.895 4.185 0 40 FIAB Cc1cc(C)n(-c2cccc(NC(=O)CCC(=O)c3cccs3)c2)n1 40106992 MMQGKJJJCWHLEP-UHFFFAOYSA-N 353.447 4.152 0 40 FIAB C[C@@H]1CCN(C(=O)CCc2nc(Cc3ccccc3)no2)[C@H]2CCCC[C@@H]21 40133828 WBJHZFJKQCMIGH-QRQLOZEOSA-N 367.493 4.020 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2cn3cc(Cl)ccc3n2)o1 43507071 NRHZGOGTBCETOO-COSMGFNTSA-N 355.825 4.034 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 44506522 XBKOSJUXUZYNSA-OAHLLOKOSA-N 356.491 4.085 0 40 FIAB COc1cccc(CSCc2nc(-c3ccc(OC)cc3OC)no2)c1 58143442 LKYFNPLCHORRFI-UHFFFAOYSA-N 372.446 4.196 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)cc1OC 58197317 ZZTAFOGMBZJQFN-LBPRGKRZSA-N 370.430 4.117 0 40 FIAB C[C@H](NC(=O)Nc1cccc2cnccc12)c1cccc(N2CCCC2=O)c1 65829338 CKKHWFMTKWNQHD-HNNXBMFYSA-N 374.444 4.244 0 40 FIAB Cc1ccc(NC(=O)c2sccc2NC(=O)c2cnccn2)cc1Cl 67336041 BBEOSNLGOMCQOO-UHFFFAOYSA-N 372.837 4.005 0 40 FIAB Cc1cccc2c1ccn2CCC(=O)Nc1nc(-c2cccnc2)cs1 71284430 RQCCEFOUQPRCGP-UHFFFAOYSA-N 362.458 4.497 0 40 FIAB CCN(CC)C1CCN(C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)CC1 72272928 SUFQGFHZZLXUAN-KRWDZBQOSA-N 360.542 4.084 0 40 FIAB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@H](c2ccccc2)CC1 78848810 ZRCMZLCDDPSNAQ-KXBFYZLASA-N 355.482 4.202 0 40 FIAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N(C)[C@@H](c1ccccc1)C(C)C 95959884 ZJWGAFQEHUARRM-GOSISDBHSA-N 363.527 4.099 0 40 FIAB CCc1nnc(CN(CC(F)F)c2c(C)cc(Br)cc2C)o1 96012867 HWJUYTOEEBQGBZ-UHFFFAOYSA-N 374.229 4.283 0 40 FIAB Cc1ccccc1Nc1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1 98070361 JIEDHFROISQFKU-UHFFFAOYSA-N 365.380 4.424 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102839595 CHITUUTUOMFTAP-OSFYFWSMSA-N 360.523 4.127 0 40 FIAB O=C(Nc1ccc(F)cc1-c1nc2ccccc2s1)N1CCC[C@H]1CO 111764690 STRXXWWAJGOIKH-ZDUSSCGKSA-N 371.437 4.091 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)c(Cl)c1 191158838 UQBJIIAGODNGQV-UHFFFAOYSA-N 368.820 4.424 0 40 FIAB O=C(c1cc(-c2cccs2)on1)N1CCS[C@@H](c2ccco2)CC1 219422316 YSQCGNRHQFNKJM-MRXNPFEDSA-N 360.460 4.317 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCOc2ccc(Cl)cc2)c1 224424310 FTFZYAVTQCQJFF-INIZCTEOSA-N 361.869 4.228 0 40 FIAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225840556 NFNXIMWIFVQFEG-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB Fc1cccc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)c1 306143439 YCHAMSXZXKLQJI-GOSISDBHSA-N 350.441 4.125 0 40 FIAB CCOc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C 408554358 RSBZTXFRQGLSSK-UHFFFAOYSA-N 374.289 4.179 0 40 FIAB CCc1ccc(C(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 408629092 ZDRHNKPEIFXWHT-DFLMZXFUSA-N 370.562 4.458 0 40 FIAB COc1ccc2oc(=O)c(C3=CS[C](Nc4ccc(F)cc4)N3)cc2c1 409416293 ATFFEFDVDMGHEF-UHFFFAOYSA-N 369.397 4.135 0 40 FIAB Cn1cc(CCCC(=O)NCCc2cn(C)c3ccccc23)c2ccccc21 604404270 ATDAKYJZEAMTSR-UHFFFAOYSA-N 373.500 4.352 0 40 FIAB biogenic O=C(c1ccc2c(O)ncnc2c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 640130484 FESRZKBROZHZKZ-YFVAEKQCSA-N 373.456 4.134 0 40 FIAB Cc1ccc(CNC(=O)N2CCC23CCOCC3)c(O[C@H](C)CC(C)C)c1 683419267 IPWZUCUDFPRDSD-GOSISDBHSA-N 374.525 4.273 0 40 FIAB OCc1cc(-c2cccs2)nc2cc(I)ccc12 685937442 PQFFOQOEIHGPSR-UHFFFAOYSA-N 367.211 4.060 0 40 FIAB Cc1ccc2[nH]c(C(=O)NCC[C@H]3CSc4ccccc4O3)cc2c1 1299845261 BGAFJGYDOQHMMQ-HNNXBMFYSA-N 352.459 4.150 0 40 FIAB O=C(CCc1ccccc1F)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977888 LJGVRZWUEPWVGM-IBGZPJMESA-N 369.461 4.337 0 40 FIAB O=C(CSC1CCCC1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1888914764 XWVFQUNJHJTCDC-CQSZACIVSA-N 367.561 4.302 0 40 FIAB COc1cncc(CN2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 2037988980 PVKKNUUWZDQLAY-QFIPXVFZSA-N 369.484 4.253 0 40 FIAB O=C(NCc1ccccc1)c1ccc(Br)cc1Br 682545 DMCKUGBJTXBBEM-UHFFFAOYSA-N 369.056 4.142 0 40 FIAB Cc1ccccc1NC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 991199 QTBYMHONAQCISQ-UHFFFAOYSA-N 372.273 4.104 0 40 FIAB Cc1ccc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)cc1 2092988 ONERJKRFKMWSSM-UHFFFAOYSA-N 366.413 4.314 0 40 FIAB biogenic CN(C)[C@H](CNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 3336518 JBBXKSZCAHMTTA-GOSISDBHSA-N 367.518 4.038 0 40 FIAB COc1ccc(-n2ncc3c(Nc4cccc(Cl)c4)ncnc32)cc1 3912198 SNEQPZATIQNWPE-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB COc1cccc(CNc2ncc(-c3ccc(Cl)cc3)n2C)c1OC 4678605 NBVCSVBWMZKLFJ-UHFFFAOYSA-N 357.841 4.370 0 40 FIAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CN1CCCCC1 4900321 YNUQPGKCYNHIBB-BAHGYDIPSA-N 369.549 4.465 0 40 FIAB COc1cccc(-c2nnc(Nc3nc4cc(OC)ccc4s3)o2)c1 5122886 WPVHMTIJQBBVQG-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1OC 5169339 HJAWPRHOTJOOBZ-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COc1ccc(C(=O)O)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 6170653 KPJXQZBRPHGBTJ-UHFFFAOYSA-N 355.177 4.344 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)cc12 6365697 SGIOLVJVQZTNIB-ZDUSSCGKSA-N 371.820 4.011 0 40 FIAB c1ccc2sc(C3CCN(Cc4ccc5c(c4)OCO5)CC3)nc2c1 7018449 NLLOQEXFVPPLJO-UHFFFAOYSA-N 352.459 4.405 0 40 FIAB O=C(O)/C(=C/c1cccc(O)c1)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603272 WQIOUPSDZJJUJD-ZROIWOOFSA-N 373.821 4.049 0 40 FIAB C[C@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1cccnc1 7988201 KCCCPTBFDRVBGC-HNNXBMFYSA-N 374.469 4.487 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1C 8218309 ASAGGXSZPQOOPX-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB CN(C(=O)c1ccc(F)cc1)c1ccccc1C(=O)NC1CCCCC1 8375220 JGVXTXBJMAPWQX-UHFFFAOYSA-N 354.425 4.165 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 8434154 RLXAHRAUVMVINP-QZTJIDSGSA-N 374.440 4.011 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cc(C)ccc2C)n1 8476755 HIZVJBCSINXVME-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc2cccnc12 8707437 RRVMQWQRVLKYTA-UHFFFAOYSA-N 356.429 4.219 0 40 FIAB CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccco1 8709368 MXIUHNFBDGARGK-UHFFFAOYSA-N 353.856 4.248 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)NCc2coc(-c3cccs3)n2)cc1 8776543 PMECWZNJLJLAAS-ZDUSSCGKSA-N 371.462 4.362 0 40 FIAB Cc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)n1 9064077 JFCLQOUCSCXEKT-UHFFFAOYSA-N 355.850 4.323 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Cn2cccn2)cc1 10643019 NADFEBPZWGHTBA-UHFFFAOYSA-N 360.442 4.307 0 40 FIAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1Br 10925003 XYCLJMYBIGSFBS-UHFFFAOYSA-N 359.223 4.050 0 40 FIAB COc1ccc(C2(NC(=O)CCc3cc(Cl)no3)CCCCC2)cc1 12155696 SJKZHWRXPRNKNI-UHFFFAOYSA-N 362.857 4.245 0 40 FIAB CCC[C@@H]1c2cccn2CCN1C(=O)c1cc(=O)c2cc(C)c(C)cc2o1 12206493 ZKPDVMVKPFVECY-GOSISDBHSA-N 364.445 4.209 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@H]2CCN(C)C[C@@H]2C)cc1 12336897 WUCVKGXWHXZAPW-KSSFIOAISA-N 355.482 4.064 0 40 FIAB CC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1C1CCCC1 12390151 VCZCYUYTRFPZHA-UHFFFAOYSA-N 374.506 4.320 0 40 FIAB Cc1cc(C)n(C[C@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)n1 12421969 OBEJGNVXOSSADB-OAHLLOKOSA-N 357.885 4.048 0 40 FIAB Cc1noc(C)c1C(=O)N(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 12564301 BDVHWYBIMONWBN-OAHLLOKOSA-N 374.444 4.464 0 40 FIAB CN(C(=O)CSc1nc2ccccc2n1C(F)F)C1CCCCC1 12730248 CLWUQCLDGJYCCG-UHFFFAOYSA-N 353.438 4.315 0 40 FIAB CC(C)OC(=O)c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1 12776002 BCEBRFTYZJRHLE-UHFFFAOYSA-N 350.418 4.304 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCCC2=O)cc1 12819626 ZLOJSZGXETYNQS-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(OC)c1OC 12879766 CNBLZEZMUJISSF-CYBMUJFWSA-N 373.474 4.244 0 40 FIAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 13135685 WWSCLHFIQRYFIU-MRXNPFEDSA-N 365.452 4.338 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1C 13708535 ZQXKYGZLDVUGRG-HNNXBMFYSA-N 363.413 4.341 0 40 FIAB CCCOc1ccc(NC(=O)C(=O)c2c[nH]c3c(CC)cccc23)cc1 13858145 LOJBYUVTOROSOB-UHFFFAOYSA-N 350.418 4.341 0 40 FIAB C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1c(Cl)cccc1Cl 13991884 ZDZJDMHPLBHLQB-GFCCVEGCSA-N 368.260 4.105 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3Cl)c2C(N)=O)C1 14182960 NGJNCKBDEGDYDS-MRVPVSSYSA-N 366.845 4.017 0 40 FIAB Cc1ccc2nsnc2c1NC(=O)COc1ccc(C(C)(C)C)cc1 15828409 DODJVAQJFUPLTG-UHFFFAOYSA-N 355.463 4.315 0 40 FIAB COc1ccc(C(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 19927378 FYJVOJRUUYFLHD-UHFFFAOYSA-N 359.838 4.109 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(=O)OC)c1C 20040815 KCKXZVCEBXUKTI-SFHVURJKSA-N 355.434 4.195 0 40 FIAB COc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2)cc(OC)c1OC 21835435 UOSZKSRYQAHZIQ-SFHVURJKSA-N 371.477 4.159 0 40 FIAB O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)NCCc1ccc(F)cc1 21889587 RQGPNSJWJDSQSR-UHFFFAOYSA-N 374.765 4.269 0 40 FIAB COc1ccccc1NC(=O)NC[C@H](c1ccsc1)N1CCCCCC1 22767053 JTSMELITQJHGIO-GOSISDBHSA-N 373.522 4.496 0 40 FIAB COc1ccc([C@H](CNc2ncnc3cc(Cl)ccc23)N(C)C)cc1 23200027 QZQSIHUGFLKJOL-SFHVURJKSA-N 356.857 4.007 0 40 FIAB Cc1cc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)no1 25138298 OEXGFMFTWAZFLD-UHFFFAOYSA-N 362.429 4.103 0 40 FIAB CC(=O)OC[C@H](O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1 26896798 LWTGIEFUTRCWQS-GOTSBHOMSA-N 369.505 4.028 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(C2CC2)on1 27060652 ZEWNBMFTWIQZIZ-UHFFFAOYSA-N 365.355 4.423 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 27384936 XWDWPGXJKVLBAT-HNNXBMFYSA-N 356.491 4.254 0 40 FIAB Cc1nn(C[C@H](O)Cn2c(C)c(C)c3cccc(Cl)c32)c(C)c1Cl 28296771 IWDUASPAZQHKHM-CQSZACIVSA-N 366.292 4.439 0 40 FIAB Cc1ccc(-c2csc(NC(=O)[C@H]3Oc4ccccc4O[C@@H]3C)n2)cc1 28935132 CHGIAEONHDBZMZ-ACJLOTCBSA-N 366.442 4.286 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c12 29516432 FXSIUUJACDIWKI-GASCZTMLSA-N 362.477 4.062 0 40 FIAB CCOc1cccc2cc([C@@H](C)NC(=O)NCCc3cccs3)oc12 32802159 KYCOVSXEKGVDFN-CYBMUJFWSA-N 358.463 4.496 0 40 FIAB CCCc1ccc([C@@H](NC(=O)c2cnn(C)c2C)c2cccs2)cc1 32879723 QIUFRCOTINRNLV-LJQANCHMSA-N 353.491 4.262 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3c(C)nn(C)c3n2)cc1 36616396 VTJAIRLADJOSLB-OAHLLOKOSA-N 362.477 4.267 0 40 FIAB CC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C 39548168 DJKNZUKRLHCUGI-OALUTQOASA-N 369.509 4.038 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(F)(F)F)CC1=O 39918144 HCUSAWSLHKPCQM-CYBMUJFWSA-N 362.351 4.005 0 40 FIAB O=C(COc1c(Cl)cccc1Cl)c1ccc(N2CCCC2=O)cc1 40068588 XRGYYJGHLLRDTD-UHFFFAOYSA-N 364.228 4.382 0 40 FIAB CC(=O)Nc1cccc(-n2cnnc2S[C@H]2CCCc3ccccc32)c1 40114344 RAJDCOZVVNWOHY-IBGZPJMESA-N 364.474 4.395 0 40 FIAB CCOC(=O)c1nc(C(=O)OC(c2ccccc2)c2ccccc2)cs1 40435365 CZIGDNJCMQOPDE-UHFFFAOYSA-N 367.426 4.266 0 40 FIAB CN(C(=O)CCc1nnc(-c2ccsc2)o1)[C@@H]1CCCc2ccccc21 43112031 LGBUYRVKYPEBIX-QGZVFWFLSA-N 367.474 4.267 0 40 FIAB COc1ccc(-c2nc(N)cc(Nc3ccc(Cl)cc3)n2)cc1OC 49468163 AMJZCJGERGZLBC-UHFFFAOYSA-N 356.813 4.140 0 40 FIAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccc(Cl)cc2)CC1 57416742 XBZDWLOGROIUDV-UHFFFAOYSA-N 374.271 4.437 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(CSc2ccccn2)c1 58098171 FSNKCSLTCZZUHG-UHFFFAOYSA-N 350.443 4.391 0 40 FIAB CCc1cccc(NC(=O)NCCc2coc(-c3ccc(OC)cc3)n2)c1 58310206 TXBLDDIMIQMWDG-UHFFFAOYSA-N 365.433 4.277 0 40 FIAB COc1cccc2cc(-c3csc(Nc4ccccn4)n3)c(=O)oc12 58367181 WPUFTUAQDNYECT-UHFFFAOYSA-N 351.387 4.064 0 40 FIAB Cc1ccccc1C(=O)Nc1cc(C)c(I)c(C)c1 59294040 NTQFAHBOOCKQAK-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB CCc1ccsc1C(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 60101919 YSHQSNFJUKDDGX-GOSISDBHSA-N 359.491 4.141 0 40 FIAB O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc2ccccc12 70636386 YWKSSEIJOHNRGJ-LJQANCHMSA-N 359.347 4.020 0 40 FIAB COc1cc(NC2=NC(=O)S/C2=C\c2c(C)noc2C)cc(OC)c1 72400369 FTIZEDFXLCBJCN-NVNXTCNLSA-N 359.407 4.027 0 40 FIAB C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)CC(C)(C)C1 78621999 IXDMPSMIAGWLKX-ILXRZTDVSA-N 364.559 4.036 0 40 FIAB CC(=O)Nc1ccc(/C=C/C(=O)n2cccc/c2=N\C2CCCCC2)cc1 102193193 ZBDMZWQKSRLRJV-HDACKJHKSA-N 363.461 4.034 0 40 FIAB C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 143578551 PMNHALBISBERPU-SFHVURJKSA-N 362.517 4.265 0 40 FIAB Cc1nc2ccc(C(=O)NC[C@H]3CCCN3c3ccccc3)cc2s1 207990144 RSWGMPWIUWMLHC-QGZVFWFLSA-N 351.475 4.004 0 40 FIAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@@H](c2cccs2)CC1 219465622 STIJOERZKNJIHT-MRXNPFEDSA-N 359.476 4.052 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(NC(C)=O)cc1 223242935 XCTUVJALWLLTGH-OAQYLSRUSA-N 366.461 4.320 0 40 FIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223330921 GFDAJKZTJBSVNQ-HOTGVXAUSA-N 355.488 4.217 0 40 FIAB COc1ccc(CCC(=O)NCCSCc2ccc(C)cc2)cc1C 223998925 UPMHKEYMKQROAZ-UHFFFAOYSA-N 357.519 4.294 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885409 FBLUTDUQRUAGIW-AWEZNQCLSA-N 369.339 4.390 0 40 FIAB Cc1ccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225288352 MJNBKSPXRKWCRT-UHFFFAOYSA-N 361.489 4.219 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccccc2)c2cccnc12 225386218 SNEFBHFYTQFFAA-UHFFFAOYSA-N 351.475 4.163 0 40 FIAB Cc1cccc(CNC(=S)Nc2ccc(Br)cc2F)c1 225427271 ZJTYNBDQGLTWMI-UHFFFAOYSA-N 353.260 4.383 0 40 FIAB CCOc1ccccc1CNC(=S)Nc1ccc(Br)cc1 225441519 HRUSGBJJSACDLT-UHFFFAOYSA-N 365.296 4.334 0 40 FIAB CCOc1cccc(NC(=S)NCc2ccccc2-n2ccnc2C)c1 225450598 BVPDJYCMWKFRER-UHFFFAOYSA-N 366.490 4.066 0 40 FIAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1O 226242987 PLVCQUIUNZCHGI-UHFFFAOYSA-N 354.631 4.298 0 40 FIAB CC(=O)N[C@@H]1C[C@H](c2ccc3c(c2)CCN3C2CCCC2)O[C@@H]2CCC[C@@H]12 257256052 KJXCRYPNKUQHGJ-KKSHJYNMSA-N 368.521 4.127 0 40 FIAB O=C(O)[C@H]1CN[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)S1 408975297 ABNPSOQZILDMMS-UYAOXDASSA-N 365.454 4.207 0 40 FIAB O=C(NCc1coc2ccccc12)N1CCC(CN2CCCCCC2)CC1 603993553 JOJZPIQDAWLYIC-UHFFFAOYSA-N 369.509 4.230 0 40 FIAB Cc1nc2ccccc2nc1N1CCC(c2ccc3cccnc3n2)CC1 656215067 SRGMVKJWCDMDID-UHFFFAOYSA-N 355.445 4.265 0 40 FIAB O=C(N[C@@H]1CCC[C@H](CO)C1)c1ccc(COc2ccc(Cl)cc2)cc1 665672790 TVXIUIQAHPHKNU-QFBILLFUSA-N 373.880 4.200 0 40 FIAB COc1ccc(-c2n[nH]c(SC[C@@H](OC)c3ccc(F)cc3)n2)cc1 1640703022 KVSGFAHJJFQWND-MRXNPFEDSA-N 359.426 4.099 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 840800 MGQWWCWPYTWWNP-LLVKDONJSA-N 351.855 4.477 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OC(C)C)c3n2)cc1 848654 OFBUEKDQCOWLCF-UHFFFAOYSA-N 363.339 4.289 0 40 FIAB Fc1ccc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1 883968 VIHAMWJRRXUHMW-HXUWFJFHSA-N 363.440 4.079 0 40 FIAB CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCc2ccccc21 1337574 BCZIKNVYGZBYHW-QGZVFWFLSA-N 353.495 4.032 0 40 FIAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccn2)nc1-c1ccccc1 1402863 FNWONROPOPETPM-UHFFFAOYSA-N 373.437 4.038 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1F)c1ccco1 1405420 NPZHOZCSYRGTCP-LJQANCHMSA-N 366.392 4.145 0 40 FIAB O=C(N/C(=C\C=C\c1ccccc1)C(=O)N1CCCCC1)c1ccccc1 2005229 PUBXRSITLISZHE-AEWULRIBSA-N 360.457 4.026 0 40 FIAB Cn1c(CN2CCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 2330366 DNCMBNQVYBHJGR-UHFFFAOYSA-N 368.868 4.075 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)s2)o1 2720364 QYTULTZTLXPXRV-JTQLQIEISA-N 371.915 4.335 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NOCCOc1ccccc1 3116804 HDGCRUKNIKKSOX-UHFFFAOYSA-N 372.808 4.044 0 40 FIAB O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1 3289998 SGXPMUXCSGOXQW-UHFFFAOYSA-N 369.833 4.237 0 40 FIAB C[C@@H](OC(=O)c1c(Cl)cccc1Cl)C(=O)N1CCc2ccccc21 3544625 CWUGFBAAVWPCKA-LLVKDONJSA-N 364.228 4.128 0 40 FIAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NC1CCCC1 3655902 LSQMJBITHBTQLP-UHFFFAOYSA-N 352.478 4.463 0 40 FIAB CCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 3999999 JFPQRIXQJCKOPU-YAOQVBECSA-N 362.473 4.113 0 40 FIAB biogenic O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccs1 4305488 YCLVNWJSCABGMX-MRXNPFEDSA-N 354.500 4.343 0 40 FIAB CC(C)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 4365738 GPOITKSKGUFUJK-UHFFFAOYSA-N 367.474 4.470 0 40 FIAB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc(F)c(F)cc1Cl 4523789 RYKYNQDBZPAAIB-UHFFFAOYSA-N 369.839 4.333 0 40 FIAB CC1(C)C[C@@H]2c3cccc(C(=O)O)c3C(=O)N2Cc2c(Cl)cccc21 4720657 SYLNMCYSTZGDKV-MRXNPFEDSA-N 355.821 4.417 0 40 FIAB CCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc12 4735814 PCFUDZXWPBYSTF-UHFFFAOYSA-N 373.430 4.027 0 40 FIAB Cc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4816522 POFJLWVSMWIQDD-WOJBJXKFSA-N 358.445 4.064 0 40 FIAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccco3)nc2c1 5264987 XAMYRNPJYQFHJG-UHFFFAOYSA-N 365.414 4.140 0 40 FIAB CCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 5375577 HZSPWUKSJBDTLN-HJSOSKBTSA-N 362.473 4.113 0 40 FIAB O=C(COc1ccc(Br)cc1Cl)NCC1CCCCC1 5829882 BMYUJWGKWZXEDA-UHFFFAOYSA-N 360.679 4.178 0 40 FIAB CCOC(=O)c1cc(-c2cccs2)nc2nc(N3CCCC3)sc12 5937367 LBBBLNYPCVJXAE-UHFFFAOYSA-N 359.476 4.197 0 40 FIAB COc1ccccc1-c1nnc(SCc2ccc(C(C)C)cc2)n1N 6654666 CSAUYCVHMCEOAE-UHFFFAOYSA-N 354.479 4.083 0 40 FIAB CC(C)c1cccc(NS(=O)(=O)c2ccccc2Br)c1 7055745 NCWPBKJMKKTASE-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB CN(C(=O)Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 7319159 YKSYDTUZUMWCGH-UHFFFAOYSA-N 367.518 4.211 0 40 FIAB Cc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 7914414 CPIUKZOCSHICOY-OAQYLSRUSA-N 358.441 4.495 0 40 FIAB COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc3ccccc3c2)cc1 7946141 IAJGQWHAYDYFMW-UHFFFAOYSA-N 361.397 4.228 0 40 FIAB COc1cc(NC(=O)CNc2cc(Cl)cc(Cl)c2)cc(OC)c1 7990781 CCQDPVRXSNIYGZ-UHFFFAOYSA-N 355.221 4.061 0 40 FIAB CCc1ccc([C@H](NS(=O)(=O)c2cccs2)c2cccs2)cc1 8057973 LFPLJGZLTUEQNX-KRWDZBQOSA-N 363.529 4.440 0 40 FIAB CCCCn1c(SCc2cccc(OC)c2)nc2ccccc2c1=O 8195013 PZKCACZOVMAWQV-UHFFFAOYSA-N 354.475 4.498 0 40 FIAB COCCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 8343335 DGWWRMKHXWIWTD-UHFFFAOYSA-N 353.393 4.375 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(C[C@@H](C)c2ccccc2)s1 9095448 ZZCGAOOETOXQBC-HUUCEWRRSA-N 367.474 4.290 0 40 FIAB CCn1c(S[C@H](C(=O)OC)c2ccccc2)nnc1-c1cccs1 9450817 USEANLXRZWWFIH-AWEZNQCLSA-N 359.476 4.033 0 40 FIAB C[C@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1cccs1 9515191 BJWFSKHQZBTSBZ-NSHDSACASA-N 366.280 4.351 0 40 FIAB CCCCS(=O)(=O)Nc1ccc2oc(CCC)c(C(=O)OCC)c2c1 11615817 GTJCYVYDTAWBEQ-UHFFFAOYSA-N 367.467 4.104 0 40 FIAB CCOc1ccc2nc3c(cc2c1)CN(Cc1ccccc1F)C(=O)O3 12222206 LVESCWRRHAGVGE-UHFFFAOYSA-N 352.365 4.287 0 40 FIAB Cc1ccc(C[C@@H]2SC(=O)[C@H](Cc3ccc(C)cc3)SC2=O)cc1 12274147 GJHSVDMBPUEPNR-ROUUACIJSA-N 356.512 4.359 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3cc(F)cc(F)c3)cc2)cs1 12620803 NQPRJYKEJMSSMP-UHFFFAOYSA-N 358.413 4.369 0 40 FIAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1coc(-c2cccs2)n1 12680962 TYEHMBJOKBANNL-UHFFFAOYSA-N 356.403 4.143 0 40 FIAB Cc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(F)c1 12800811 XQFTUXXFGPCLQR-UHFFFAOYSA-N 353.393 4.429 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(NC[C@H](c4ccco4)N(C)C)c23)C1 12856380 FXFXNZBMQSIEAG-TZMCWYRMSA-N 356.495 4.124 0 40 FIAB COc1ccccc1CNC(=O)c1cc2c(C)nn(CC(C)C)c2s1 12997614 HDMQOFABMKNKSX-UHFFFAOYSA-N 357.479 4.001 0 40 FIAB COc1ccccc1[C@@H](CCN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccco1 13804696 IRQFLDPUVMQMKX-ONCXSQPRSA-N 356.510 4.129 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(F)cc1 14081553 HBYCJUSOHCNXPI-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 14167164 GSBWCYMTUWBXNQ-HNNXBMFYSA-N 356.491 4.231 0 40 FIAB C[C@@H](NCC(=O)Nc1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl 16634379 XXBGPEGXUYUZFN-GFCCVEGCSA-N 366.292 4.349 0 40 FIAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)CC(C)C)CC[C@]21C 19713762 LHTWAHZQVKKJGV-NFBKMPQASA-N 370.537 4.303 0 40 FIAB COC(=O)c1cc2cc(NC(=O)COc3c(C)cccc3C)ccc2s1 20025513 KOKCOIVDLXCVQQ-UHFFFAOYSA-N 369.442 4.322 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20039589 MXKIGXOURBRDLL-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB O=C(NC(=S)Nc1ccccc1)c1ccc(OCc2ccccc2)cc1 21596209 NRBRHGWONBNRJV-UHFFFAOYSA-N 362.454 4.392 0 40 FIAB CCn1nnc2cc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)ccc21 23112099 VQXJMOBWUXCROF-KRWDZBQOSA-N 354.841 4.082 0 40 FIAB Cc1ccc(CN(C)C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 24178215 SEHIPSWBWYJMJS-UHFFFAOYSA-N 369.852 4.290 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 26392447 YZCASZNJTOUOQL-STQMWFEESA-N 363.841 4.002 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Oc1ccc(C(C)(C)C)cc1 26844675 UXFSQOOJNPMDSR-UHFFFAOYSA-N 354.855 4.414 0 40 FIAB O=C(Nc1ccc(OC[C@@H](O)c2ccccc2F)cc1)c1cccs1 27213803 PCPPJFUVLAVFMT-QGZVFWFLSA-N 357.406 4.252 0 40 FIAB O=C(NCc1cnn(-c2ccccc2)c1)c1cccc2c3c([nH]c12)CCCC3 27604118 OKCMGBFMUVTFFE-UHFFFAOYSA-N 370.456 4.162 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969548 XVCFWNCZLJXKNQ-AWEZNQCLSA-N 351.837 4.176 0 40 FIAB COc1ccc(C(=O)CSc2cc(-c3ccccc3)nc(C)n2)cc1 28616635 BKYGPMAOAAGKGW-UHFFFAOYSA-N 350.443 4.436 0 40 FIAB C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 28652489 YEZIJIYWOAGXRQ-PGRDOPGGSA-N 372.468 4.425 0 40 FIAB Cc1nc(COc2cccc(/C=C/C(=O)N3CCC[C@@H](C)C3)c2)cs1 29510148 BRCUJKGEAYIIOC-XVJNWHFHSA-N 356.491 4.302 0 40 FIAB COc1cc2c(cc1OC)CN(Cc1nc(-c3cccs3)oc1C)CC2 30673302 JFBIDHHTDDSKOV-UHFFFAOYSA-N 370.474 4.287 0 40 FIAB CCOc1ccc(CNC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 30752035 FBNMNONQOFIBBP-UHFFFAOYSA-N 371.477 4.132 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)cc1 31743292 LYJJFIYDLSDNAI-JTQLQIEISA-N 368.380 4.422 0 40 FIAB COc1ccc(-c2nc(CC(=O)Nc3ccc4cc[nH]c4c3)cs2)cc1 32094214 PMLWUTSDTNYOJE-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB O=C(CSCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1 32779115 CWTJQRYVANVVPX-UHFFFAOYSA-N 359.838 4.262 0 40 FIAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1 36390668 SUDBWGGEYXBZSD-INIZCTEOSA-N 364.420 4.220 0 40 FIAB O=C(Nc1cccc2cnccc12)NC1CCN(Cc2ccccc2)CC1 43162572 WWSWYSVTNRHUBV-UHFFFAOYSA-N 360.461 4.021 0 40 FIAB CCCc1noc(CCCC(=O)Nc2nc(-c3cccs3)cs2)n1 48358471 ZMUPWNOLHVSPTE-UHFFFAOYSA-N 362.480 4.169 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc3oc(C)nc3c2)cc1 48365899 XOBDUJJIOGYVSN-NSHDSACASA-N 369.446 4.214 0 40 FIAB Cc1cccc(NCc2nc(-c3cc(Br)cs3)no2)c1 48707093 YXNZDTZVCKKTRW-UHFFFAOYSA-N 350.241 4.481 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc([S@@](C)=O)cc2)cc1 58114478 PHJYNNLDYYLXFL-IBVKSMDESA-N 371.502 4.190 0 40 FIAB CC(=O)Nc1ccc(CN[C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 58161295 CYULULYBLSAKGM-CYBMUJFWSA-N 366.383 4.437 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCc2cc(Cl)ccc21 58425930 WTXXZHVPBICKHX-KRWDZBQOSA-N 352.821 4.116 0 40 FIAB O=C1Nc2ccccc2S[C@@H]1CC(=O)N(Cc1ccco1)C1CCCC1 67676447 OLKHGQOKGNFIAA-GOSISDBHSA-N 370.474 4.054 0 40 FIAB O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccsc1 70931425 HNJZZCFLKOVKSO-UHFFFAOYSA-N 357.504 4.004 0 40 FIAB CC(C)c1nsc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 72307786 NQQHWROGXAYGKC-UHFFFAOYSA-N 370.444 4.003 0 40 FIAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4CCC4)C3)n2)c1 72349330 ZAIKAOYOMOQOPJ-SFHVURJKSA-N 350.462 4.263 0 40 FIAB COc1ccccc1-c1cccc([C@@H]2CCCN(C3CCOCC3)C2)n1 72350076 PIZRGAROLMUFNT-QGZVFWFLSA-N 352.478 4.116 0 40 FIAB C[C@H]1CCCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 78799817 VBVYLVBFHOEHKV-NSHDSACASA-N 363.811 4.204 0 40 FIAB CCCNC(=O)[C@H]1c2ccccc2C(=O)N([C@H](C)CC)C12CCCCC2 79487715 UMVVVNFHOKRPPJ-VQIMIIECSA-N 356.510 4.254 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1 86071856 DJCMHGAZJPEAKT-UHFFFAOYSA-N 361.445 4.076 0 40 FIAB Cn1cc(Nc2cccc(C(=O)N[C@H]3CCc4cc(Cl)ccc43)c2)cn1 89756557 DDBMVDFVVVGYOL-IBGZPJMESA-N 366.852 4.234 0 40 FIAB CCc1nc(C)c([C@@H](C)N(C)Cc2cc(OC)c(OC)cc2OC)s1 93612508 VRFOMGSPAAIUJS-CYBMUJFWSA-N 364.511 4.233 0 40 FIAB CC[C@H]1CCc2nc(NC(=O)/C=C/c3c(C)nn(C)c3Cl)sc2C1 95369210 QYYOYUJBKFMWKZ-IOCXFXADSA-N 364.902 4.005 0 40 FIAB COC(=O)c1ccc([C@H]2SCC(O)=Nc3c2cnn3C2CCCC2)cc1 95473523 HNIHAWAYSIBILG-QGZVFWFLSA-N 371.462 4.209 0 40 FIAB Cc1ccccc1N/C=C1/C(=O)N(c2nccs2)C(=O)c2ccccc21 97840670 SFPMDHOBMKDURP-FOWTUZBSSA-N 361.426 4.092 0 40 FIAB O=C1C[C@@]2(CC[C@H]3[C@@H](C(=O)NC4CCCCC4)[C@@H]32)Oc2ccc(Cl)cc21 100123829 FRMVBKFGVPOUJI-QSMXQIJUSA-N 373.880 4.149 0 40 FIAB COc1cccc2cc(C(=O)O[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)c(=O)oc12 100901873 QUDRNXUTQSASJD-QSZISKGPSA-N 356.418 4.173 0 40 FIAB CCCCc1c(C)[nH]c2nc(C(c3ccccc3)c3ccccc3)nn2c1=O 101418181 PEUBQPXCTPTKAM-UHFFFAOYSA-N 372.472 4.249 0 40 FIAB C[S@](=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1F 173224418 VPWPWHVHDCHOEA-VWLOTQADSA-N 361.369 4.215 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F 223933957 FHLJPGOSBJLCFR-UHFFFAOYSA-N 362.832 4.046 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(C)cc1 224120166 VXMXBFKWLZVPFO-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1Cl 224149329 AYGCNGMTSWNAOC-UHFFFAOYSA-N 372.896 4.448 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225211844 ZAOJZAFVOUPDKC-OXQOHEQNSA-N 371.477 4.355 0 40 FIAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)cn1 225507970 OZEWOYLWRGGUNG-HXUWFJFHSA-N 363.486 4.475 0 40 FIAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(C)c(Cl)c3)n2)c1 225814652 MVLNNJGLQYSZHN-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cc1cc(C)nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 225923430 MKJIDPWOOSICCJ-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cc1cc(N)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 226238620 XPEICORIENMRHY-UHFFFAOYSA-N 361.470 4.371 0 40 FIAB Nc1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343823 XYFZZXFKHPWXIX-UHFFFAOYSA-N 367.044 4.337 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccccc1-c1cc2ccccc2oc1=O 226358195 HHCFILKPSJGTFD-UHFFFAOYSA-N 361.319 4.375 0 40 FIAB O=C(C1CCCC1)N1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 257205571 AZRYJABQXXMCBB-HNNXBMFYSA-N 373.884 4.148 0 40 FIAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCCN3Cc3ccncc3)cn2)n1 257224864 FDSZTHXJTYRPGI-HXUWFJFHSA-N 374.492 4.354 0 40 FIAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3)sc2n1 408618314 GHTRCYRZBRIFRX-UHFFFAOYSA-N 370.503 4.266 0 40 FIAB CC[C@@H](Cc1ccccc1Br)NC(=O)c1ccccc1F 1518569333 ZMSJVXNILUEVAV-ZDUSSCGKSA-N 350.231 4.339 0 40 FIAB O=C(NCc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966807 AZVZKQHYMYFLFX-IBGZPJMESA-N 370.449 4.087 0 40 FIAB CCCSCc1nnc2sc(COc3ccc(Cl)cc3)nn12 1775972302 UJHYWBXYLFFIAB-UHFFFAOYSA-N 354.888 4.061 0 40 FIAB COc1ccc(Nc2nc(C)nc3c2cnn3CCc2ccccc2)cc1 646858 DDTHXEBRNWTQNX-UHFFFAOYSA-N 359.433 4.130 0 40 FIAB O=C(CSc1nc2ccccc2o1)CSc1nc2ccccc2o1 940532 RSUZVNVGKGRHDH-UHFFFAOYSA-N 356.428 4.423 0 40 FIAB C[C@@](O)(CSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 1388665 ZDLWZAAVGKXWLN-MRXNPFEDSA-N 356.274 4.475 0 40 FIAB COc1cc(SC)ccc1C(=O)Nc1ccc2c(C)cc(C)nc2n1 1443695 IWYNIRSZHBPLSU-UHFFFAOYSA-N 353.447 4.229 0 40 FIAB C[C@@H](OC(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1923034 KTZMGMACZNOXBH-SECBINFHSA-N 356.180 4.317 0 40 FIAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3)cc2oc1=O 2096382 HFUMKJYEUDSDIZ-UHFFFAOYSA-N 366.413 4.176 0 40 FIAB biogenic COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2cccs2)cs1 2199937 KAXBVJGKJYZNRV-OAHLLOKOSA-N 374.443 4.170 0 40 FIAB Cc1ccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1 2240301 AJXDPNVGNWMTHE-UHFFFAOYSA-N 360.417 4.030 0 40 FIAB COc1cccc(-c2nc(-c3ccc(Br)cc3)no2)c1OC 2493206 CKAKENFFGATLFP-UHFFFAOYSA-N 361.195 4.183 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1F 3436413 KSSRWCSSNLBNCC-OAHLLOKOSA-N 374.843 4.278 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2ccccc2N2CCOCC2)c1 3560459 HJQCJXFIEUUOCK-UHFFFAOYSA-N 362.882 4.151 0 40 FIAB O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1 3655275 AKGKCJUHXQYGFO-UHFFFAOYSA-N 358.401 4.033 0 40 FIAB aggregator CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 3908129 QFVWEXRBWKMHJL-UHFFFAOYSA-N 352.390 4.174 0 40 FIAB CC(C)c1ccc(NC(=O)CCC(=O)N2CCc3ccccc3C2)cc1 4699622 PCDKAMJPIIWKNJ-UHFFFAOYSA-N 350.462 4.114 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 4704055 BBDPITDQKQKJJH-MRXNPFEDSA-N 364.367 4.099 0 40 FIAB O=C(NC[C@@H](c1ccccc1)N1CCC(c2ccccc2)=N1)c1ccccc1 4770899 NOZKVLWITRUUKR-QHCPKHFHSA-N 369.468 4.268 0 40 FIAB Cc1csc(SCc2ccccc2C(=O)O[C@H]2CCCCC2=O)n1 4798275 JYCCIWXFISHFFO-INIZCTEOSA-N 361.488 4.412 0 40 FIAB Cc1ccc(NC(=S)N2[C@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)cc1 4857358 RVYGSUZJFCTXKO-AYHJJNSGSA-N 373.566 4.240 0 40 FIAB CCCCC(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1Cl 5259043 IZYUPALPHQVSTB-UHFFFAOYSA-N 369.852 4.476 0 40 FIAB O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc[nH]1 5627337 XUEQMVUUWOYEEF-UHFFFAOYSA-N 363.291 4.333 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 5861197 RWBFTNJWOQAQLV-UHFFFAOYSA-N 366.490 4.084 0 40 FIAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl 6328271 DXKRFNVYKIVCQK-UHFFFAOYSA-N 351.855 4.028 0 40 FIAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 6375837 XXCJCCXHVLUKAT-UHFFFAOYSA-N 372.421 4.284 0 40 FIAB Clc1cc2c(c(CSc3nnc(Cc4ccccc4)o3)c1)OCOC2 6544018 NSIOAUHLZHXNKX-UHFFFAOYSA-N 374.849 4.473 0 40 FIAB COCCn1c(C)cc(C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c1C 6942583 VXALPNNHYZUSOF-UHFFFAOYSA-N 371.477 4.089 0 40 FIAB O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl 7051680 PBTPEYXQIDWVMF-UHFFFAOYSA-N 371.289 4.394 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c(Cl)c1 7771150 QNAZZPFRHFEXJP-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1Cl 7882103 MDOWNJDNVLPJSH-GOEBONIOSA-N 356.853 4.197 0 40 FIAB Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 7909114 ASXALUTZUYGUFY-UHFFFAOYSA-N 363.486 4.081 0 40 FIAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccccc2Cl)CC1=O 7929288 BCFCRPREHGTGGR-LBPRGKRZSA-N 364.228 4.260 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 8040549 QOBFQACFGFKKRW-UHFFFAOYSA-N 373.412 4.150 0 40 FIAB Cc1ccc(C(=O)[C@@H](Sc2nnnn2C2CC2)c2ccc(C)cc2)cc1 8232128 MKXBTABSSYYRHK-IBGZPJMESA-N 364.474 4.341 0 40 FIAB CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(Cl)s2)c1 8246931 MLQVJWFYAGAQCU-UHFFFAOYSA-N 352.843 4.242 0 40 FIAB O=C(NCCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1 8277981 ZJBAXEYJVPTFDI-UHFFFAOYSA-N 363.442 4.166 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 8566006 HMUJFBPZNUWQGK-HXUWFJFHSA-N 355.434 4.286 0 40 FIAB CC[C@H]1CCc2nc3sc(C(=O)Nc4nc(C)cs4)c(N)c3cc2C1 9015583 SJWZHHBHBURPPW-JTQLQIEISA-N 372.519 4.411 0 40 FIAB Cc1ccc(C)c(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c1 9876902 GRDJOCKBZMZUOD-UHFFFAOYSA-N 353.535 4.439 0 40 FIAB CC(=O)c1cc(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)cs1 12325659 SSTCYGIIDHMBHT-UHFFFAOYSA-N 358.850 4.284 0 40 FIAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccc1OC(F)F 12599027 QAFHZMYWODRBQQ-UHFFFAOYSA-N 373.359 4.299 0 40 FIAB C[C@H](OCCCNC(=O)c1ccccc1Br)c1ccccc1 13009850 TWKSFBYVNRXFSY-AWEZNQCLSA-N 362.267 4.347 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N[C@@H](c2cccs2)C(C)C)cc1 14093277 JVZREBQFKJNOKW-GOSISDBHSA-N 362.520 4.312 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 14482126 DVDRRUUUWMHPKG-CQSZACIVSA-N 354.475 4.007 0 40 FIAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)cc1 16690284 YHIPTSBGHVIXEX-VZCXRCSSSA-N 371.893 4.071 0 40 FIAB COc1ccccc1C(=O)N1CC[C@@H](c2cc(-c3ccc(C)cc3)n[nH]2)C1 19212095 DEMJYQWXDNZARJ-QGZVFWFLSA-N 361.445 4.023 0 40 FIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(Br)c1 20138015 RSNORHBMJGKARK-UHFFFAOYSA-N 372.218 4.454 0 40 FIAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1cn[nH]n1 20428251 FCTZYQRBDOMYNA-UHFFFAOYSA-N 354.822 4.118 0 40 FIAB C[C@H](CNC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccccc1 23692097 HFNKCHRTRMJURS-CYBMUJFWSA-N 354.431 4.127 0 40 FIAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccccc1-c1ccccc1 24987459 UZXGQLLDZIGSDK-UHFFFAOYSA-N 372.346 4.173 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(CN(CCC(=O)N2CCc3ccccc32)C2CC2)o1 30152793 SNIDRVQYHGVCNS-JXFKEZNVSA-N 364.489 4.347 0 40 FIAB COc1cccc(CN(C)C(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1OC 31336662 XKPOCWOWLPEPSF-CFFMAPQLSA-N 355.434 4.092 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 31850928 PEMUYBYQTJPNEI-BLRBJFNZSA-N 366.530 4.025 0 40 FIAB CCN(CC)c1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 31914593 WBWIHTBWHCESJV-KRWDZBQOSA-N 365.477 4.063 0 40 FIAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1F 32104049 ROVSAPWBBZTQDN-UHFFFAOYSA-N 363.348 4.290 0 40 FIAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccccn2)cc1 37868573 GCMIHAVVZNZNBT-IBVKSMDESA-N 374.421 4.091 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc2ccccc2o1 39980632 QROJJCXCHSZVSQ-ZFWWWQNUSA-N 358.438 4.010 0 40 FIAB CC[C@H](C)NC(=O)Nc1ccc(Br)cc1Br 40098274 TUFGXJPNUBZVHL-ZETCQYMHSA-N 350.054 4.132 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1csc(Cc2ccccn2)n1)c1cccs1 40131601 MIIZMQWEUXXDBT-LJQANCHMSA-N 371.531 4.246 0 40 FIAB C[C@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1cccc(F)c1 40149711 MYHJAPPPATXVFO-GFCCVEGCSA-N 353.846 4.393 0 40 FIAB CS(=O)(=O)c1oc(-c2ccccc2)nc1-c1nc2ccccc2s1 41154780 BXHPDLXFROYNBL-UHFFFAOYSA-N 356.428 4.022 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 43756694 KRBMZSYRIJAAMS-JKCUGDFGSA-N 374.521 4.201 0 40 FIAB OC1=Nc2c(cnn2Cc2ccccc2Cl)[C@@H](c2ccc(O)cc2)C1 49547393 YSPYSSOAEYSPIT-OAHLLOKOSA-N 353.809 4.414 0 40 FIAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCc1ccccc1O 57991914 APPWZSSBXGYNRV-UHFFFAOYSA-N 370.452 4.373 0 40 FIAB COc1ccccc1[C@@H](C)NCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 58163994 CZAMWNDPIXAQRG-ACGMVJLCSA-N 370.537 4.067 0 40 FIAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)C1(c2ccccc2)CC1 58417722 MAHIVYFNJVRLLC-UHFFFAOYSA-N 354.413 4.067 0 40 FIAB COc1ccccc1-c1nc(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cs1 58706157 CTKCUOCDRATUEA-HOTGVXAUSA-N 368.433 4.244 0 40 FIAB O=C(c1cnc(-c2ccccc2)s1)N(CC(F)(F)F)c1ccccn1 67655256 KOOAYDYNVOTBAT-UHFFFAOYSA-N 363.364 4.414 0 40 FIAB CC(C)c1ccc(-c2nc3ccc(N4C[C@@H](C(=O)O)CC4=O)cc3o2)cc1 70461295 OANVFDGBIRVWKB-HNNXBMFYSA-N 364.401 4.056 0 40 FIAB CCN(CC)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c(C)c1 71761447 CEPAQOFGHKRMHF-UHFFFAOYSA-N 357.479 4.379 0 40 FIAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 72288766 WXJVAXQYGPRQAO-KRWDZBQOSA-N 365.477 4.490 0 40 FIAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(CC(C)C)C1 72330491 GWFOARLPBFFKPW-UGKGYDQZSA-N 365.521 4.229 0 40 FIAB O=C(c1cccc(-c2ncon2)c1)N1CC2(CCCC2)c2c(F)cccc21 73226635 SDGNOIKDRSCIAY-UHFFFAOYSA-N 363.392 4.348 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2ccn(-c3cccc(F)c3)n2)cc1 83943930 WYCMMEZGHAXPLL-NRFANRHFSA-N 351.425 4.357 0 40 FIAB C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(F)c(F)c1 84647863 VYGSYIFHUXGHFW-NHYWBVRUSA-N 370.440 4.081 0 40 FIAB C[C@H](c1ccc(F)cc1F)N1CCC(c2nc(-c3ccccn3)no2)CC1 84651672 QAIVNQZZFORLMB-CYBMUJFWSA-N 370.403 4.350 0 40 FIAB O=C(c1ccc2nsnc2c1)N(CCc1cccs1)Cc1ccoc1 90612349 DZQCWPONBCWAMX-UHFFFAOYSA-N 369.471 4.231 0 40 FIAB C[C@@H]1C[C@@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCO1 95458144 BSKXJXVEXSPGMT-CABCVRRESA-N 360.454 4.055 0 40 FIAB Cc1ccc(OCCC(=O)Nc2ccccc2[C@H](O)C(F)(F)F)cc1C 95465501 ZMLLIQPTOHLASR-SFHVURJKSA-N 367.367 4.307 0 40 FIAB COc1ccc(-n2cnc3c2[C@@H](c2ccsc2)SCC(O)=N3)cc1 95480379 FXZUFMXVUSMTKF-MRXNPFEDSA-N 357.460 4.367 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 216383092 QPHKDENWNBRKMT-KRWDZBQOSA-N 355.478 4.335 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1C 219528730 MFFTVJIIUBRSOZ-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB O=C(COc1ccc(Br)cc1)NCc1cccc2ccccc12 222862898 MZRJKATYHYZCFT-UHFFFAOYSA-N 370.246 4.298 0 40 FIAB COc1ccc(CC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 223242838 FNDDYRXZNQGEMX-UHFFFAOYSA-N 359.425 4.416 0 40 FIAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1C(C)C 223322112 SGUZDKZDEGCENJ-MRXNPFEDSA-N 361.507 4.308 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(Cl)c1 223392945 OFSBKZQJJYVXMK-UHFFFAOYSA-N 360.841 4.131 0 40 FIAB COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1 223692281 HLUKDPAJANJMAV-UHFFFAOYSA-N 357.406 4.302 0 40 FIAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(F)cc3)cn2)C1 223947931 VUDKAZCTWIJCQB-GJZGRUSLSA-N 372.513 4.190 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cc(C)cc(C)c1 224091891 KOUUATNVOQAAMT-IBGZPJMESA-N 361.869 4.309 0 40 FIAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(F)c(Cl)c1 225723212 AMFHMWBEFCHAQM-UHFFFAOYSA-N 365.191 4.086 0 40 FIAB CO[C@@H](CNC(=O)c1nc2ccccc2s1)c1cc2ccccc2o1 253472863 QDULQBNIOPQJCL-INIZCTEOSA-N 352.415 4.160 0 40 FIAB O=C(NC1CCCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257296544 RDGWNLXXZOOLMW-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 408625320 XJSNROJUAAOODQ-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB CCCn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccccc1 409086967 ICCXFSHIUSEPOP-IYBDPMFKSA-N 372.538 4.237 0 40 FIAB O=C1S/C(=C/c2ccco2)C(=O)N1Cc1cccc(Br)c1 409151317 ANQZOUHPBIQBIM-MDWZMJQESA-N 364.220 4.279 0 40 FIAB Cc1cnc([C@@H](C)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)o1 678462604 JAQSUAAHTGHJCP-HIFRSBDPSA-N 356.401 4.113 0 40 FIAB c1ccc(CCSCc2nnc3sc(-c4cccs4)nn23)cc1 1501040040 XORVZJSDPFGRPR-UHFFFAOYSA-N 358.517 4.390 0 40 FIAB Cn1c(C(=O)NC/C=C/c2ccc(Br)cc2)cc2ccccc21 1534049592 CYCWKCLAEAJJSR-SNAWJCMRSA-N 369.262 4.384 0 40 FIAB O=C(CCCn1cccc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 1565520624 YTAKLONVZJCCNG-OAQYLSRUSA-N 372.472 4.245 0 40 FIAB C=CC(=O)Nc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 1643421288 XVHUQPVZEJDEIV-UHFFFAOYSA-N 367.424 4.193 0 40 FIAB Cn1c(C(=O)Nc2cc(Cl)ccc2N2CCCC2=O)cc2ccccc21 1775971956 PADIUXAPABGGHA-UHFFFAOYSA-N 367.836 4.211 0 40 FIAB COc1cc(OC)c([C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1OC 627842 BSUOZDSHNLJPFY-OAQYLSRUSA-N 365.433 4.165 0 40 FIAB CC(C)OC(=O)c1cccc(NC(=O)c2ccccc2Br)c1 836541 OIVKBQQQUCGBEI-UHFFFAOYSA-N 362.223 4.267 0 40 FIAB O=C(COc1ccc(OCc2ccccc2)cc1)NCCc1ccccc1 936456 BXMBHFKZXXTTOM-UHFFFAOYSA-N 361.441 4.003 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2ncc(Cl)cc2Cl)cc1 1573531 PBKQYQYZCPGQLL-UHFFFAOYSA-N 354.193 4.209 0 40 FIAB COc1ccc(Br)c(C(=O)c2ccc(Br)cc2)c1 2567544 WYMWNCNJFBYKKQ-UHFFFAOYSA-N 370.040 4.451 0 40 FIAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 3297821 XAFRQMTURUIJTL-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCCC1 3318901 LFCHCOQFEJVOGQ-UHFFFAOYSA-N 365.473 4.201 0 40 FIAB CN(Cc1cccs1)C(=O)COc1ccc(C(=O)c2ccccc2)cc1 3340657 RNHGMGDPDMCKTH-UHFFFAOYSA-N 365.454 4.017 0 40 FIAB COc1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1OC 3603021 OCKMCYZEQDUOKL-UHFFFAOYSA-N 368.260 4.260 0 40 FIAB Cc1cccc(-n2ncc3c(NCCc4ccc(Cl)cc4)ncnc32)c1 3912260 YXTOCDQYJJBLEY-UHFFFAOYSA-N 363.852 4.432 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2N=C3CCCC[C@@H]3[C@]2(O)C(F)(F)F)cc1 4163542 MMKOILUKSWELQU-KSSFIOAISA-N 368.399 4.237 0 40 FIAB COc1ccc(-c2nc(NCc3ccccc3)n(C(=O)CC(C)C)n2)cc1 4777299 PEMKSIQMVVBPJZ-UHFFFAOYSA-N 364.449 4.252 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5151169 WVABFNXIPMDRAJ-RZUBCFFCSA-N 371.427 4.473 0 40 FIAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 5164931 PMYVQRNTTFHBBD-IFMALSPDSA-N 357.413 4.333 0 40 FIAB CCOc1ccc(N2C(=O)S/C(=C/c3ccccc3OC)C2=O)cc1 5181766 QMPJDKRGCKJILV-SFQUDFHCSA-N 355.415 4.335 0 40 FIAB CCCC[C@@H](CC)CN[C@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)O 5258191 AQRMKBDWTNVPES-RHSMWYFYSA-N 368.905 4.236 0 40 FIAB COc1ccc(-c2cc(C(=O)NCC(F)(F)F)c3ccccc3n2)cc1 5419195 SOFBTRBYZASUPS-UHFFFAOYSA-N 360.335 4.203 0 40 FIAB O=C(COc1cccc2cccnc12)N1CCC(Cc2ccccc2)CC1 6127950 PIYDHUOQFKFXGM-UHFFFAOYSA-N 360.457 4.095 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 6314968 KMEMXHLTHZGKLU-UHFFFAOYSA-N 358.290 4.397 0 40 FIAB O=C(O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 7776979 JFSNOJBVEPNZND-UHFFFAOYSA-N 369.427 4.190 0 40 FIAB CC(=O)c1c[nH]c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 7948196 ZLSRUEBWGPQUFJ-QGZVFWFLSA-N 356.472 4.128 0 40 FIAB CNCCCNCc1c(OCc2ccccc2F)ccc2ccccc12 8376925 QBFWBWBPFYJOJI-UHFFFAOYSA-N 352.453 4.257 0 40 FIAB CC[C@@H](c1ccccc1)c1nn2c(COc3ccc(F)cc3)nnc2s1 8393401 HYBHYNJHYMNMMU-INIZCTEOSA-N 368.437 4.446 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl 8704390 QZZVIVJTKMRZBU-NSHDSACASA-N 361.228 4.447 0 40 FIAB COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1 8985202 GQKZRAWLXUXBRM-UHFFFAOYSA-N 369.852 4.463 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(OCC(C)C)cc1 9535690 CIUMFGWBLWSIQT-MRXNPFEDSA-N 355.434 4.214 0 40 FIAB CC1(C)CC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC(C)(C)N1 10812944 KYWBMKALTGWAIR-UHFFFAOYSA-N 370.518 4.347 0 40 FIAB COc1c(C)cccc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 12293186 DVKPEFRURJKSAO-VSOVRNOCSA-N 355.453 4.157 0 40 FIAB COc1ccccc1-c1nnc2ccc(Oc3ccccc3Cl)nn12 12322613 ZQAQCEOTEIKUGA-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(C)no1 12422401 SRCMOIWNRSAOSB-UHFFFAOYSA-N 356.403 4.141 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12771973 JQLYPEOOPOZACO-KGLIPLIRSA-N 355.409 4.080 0 40 FIAB O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1ccccc1 12910215 JPCFCRYJQADYJZ-UHFFFAOYSA-N 359.834 4.028 0 40 FIAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1cccc(F)c1 12923117 UCFAOTQEDDMPPL-UHFFFAOYSA-N 350.796 4.221 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1C(C)C 13995565 VRUMBUKMXPUYOJ-UHFFFAOYSA-N 373.309 4.459 0 40 FIAB O=C(CCc1ncc(-c2ccccc2F)o1)NCCSc1ccccc1 14138901 GMRUWYQDMDKSTD-UHFFFAOYSA-N 370.449 4.322 0 40 FIAB O=C(Nc1nc2ccccc2n1C(=O)c1cccs1)c1cccs1 16545211 DKBOTHNTUJXJKW-UHFFFAOYSA-N 353.428 4.100 0 40 FIAB COc1ccc(-n2ncc3c2C[C@H]2CC[C@@H]3N2Cc2ccccc2F)cc1 19558915 HYGFABWNHCPDCR-UTKZUKDTSA-N 363.436 4.282 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 19686994 XLYKKHSVQUWGII-JOCHJYFZSA-N 364.468 4.191 0 40 FIAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1cccc(Br)c1 20025503 OGLMDTFASIBEGB-CQSZACIVSA-N 362.267 4.322 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccccc2F)CC1 20111127 QEUGDNRUGLWPMR-KRWDZBQOSA-N 370.468 4.065 0 40 FIAB O=C(c1cccs1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 20230229 KGKMWBYFYXIUBW-UHFFFAOYSA-N 360.482 4.276 0 40 FIAB O=C(COCc1cc(-c2ccco2)on1)Nc1cccc(C(F)(F)F)c1 20438142 ZZCJMIDJUCAOJG-UHFFFAOYSA-N 366.295 4.109 0 40 FIAB COc1ccc2cc(CNC[C@@H](c3ccco3)N3CCCC3)ccc2c1 22928635 JVWTTZPFDHKBOF-NRFANRHFSA-N 350.462 4.368 0 40 FIAB CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 23122438 UIPRUNKIUJMBKN-QGZVFWFLSA-N 357.837 4.185 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)n1cccc/c1=N\C1CCCCC1 25597116 PGCKTUYTXTWJQL-DYTRJAOYSA-N 367.474 4.321 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1ccccc1Cl 27925929 VUOQHUXLYVWOBM-UHFFFAOYSA-N 354.841 4.464 0 40 FIAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)C1CCCCC1 28228748 XQIFOTPPWKDVRY-UHFFFAOYSA-N 363.408 4.333 0 40 FIAB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 28911611 GOUMCHDSLJTWBF-GHRIWEEISA-N 350.418 4.420 0 40 FIAB C[C@H]1C[C@H]1c1ccc(CN(CCC(=O)N2CCc3ccccc32)C2CC2)o1 30152795 SNIDRVQYHGVCNS-OXJNMPFZSA-N 364.489 4.347 0 40 FIAB Cc1nc(COc2cccc(C(=O)N(C)Cc3ccccc3)c2)cs1 32193492 HNDSQJRACKDQHQ-UHFFFAOYSA-N 352.459 4.303 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)/C=C/c1ccc(SC(F)(F)F)cc1 32903441 ARVAYJAGQGPKEQ-RMKNXTFCSA-N 355.385 4.301 0 40 FIAB Cc1noc(-c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)n1 33012458 PAFXKCPEEIHFRL-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB O=C(Nc1cccs1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 38899992 LGMYOPAOUTWYBH-NSHDSACASA-N 360.464 4.271 0 40 FIAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 39767330 SVRFUTXLEVIVET-UHFFFAOYSA-N 364.533 4.264 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1cc3cc(F)ccc3[nH]1)O[C@@H](C)C2 40059504 ISHLELRCQAHPGP-NSHDSACASA-N 354.381 4.281 0 40 FIAB CCCSc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 40987819 PDIARAVXHWMDES-UHFFFAOYSA-N 365.524 4.355 0 40 FIAB N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(F)c(-c3cccs3)c2)N1 48366868 SIQMDGKOQNMYDY-KRWDZBQOSA-N 363.421 4.401 0 40 FIAB CCn1ccc2cc(NC(=O)c3ccc4c(O)[nH]c(=S)nc4c3)ccc21 51410001 QHBUSLKEEFEZEM-UHFFFAOYSA-N 364.430 4.225 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1 54135901 FFXVFSIMKRQTAO-GJZGRUSLSA-N 364.511 4.059 0 40 FIAB COc1ccc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)cc1OC 58323556 KJZJBRMEWLYSHH-SFHVURJKSA-N 354.450 4.333 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2cc3ccccc3n2Cc2ccccc2)CCO1 61721367 GNUHYETYGOWJBT-IBGZPJMESA-N 362.473 4.377 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(C)=O)c3)o2)cc1 63888886 SNJRTHVKRYVFHT-UHFFFAOYSA-N 364.401 4.124 0 40 FIAB CC(C)c1ccsc1C(=O)OCC(=O)N1CCC[C@@H]1c1cccs1 64970944 SGRIOSUCPSPPAG-CQSZACIVSA-N 363.504 4.454 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 65530436 IWZSZLXZBLTXFX-GFCCVEGCSA-N 372.519 4.109 0 40 FIAB COc1cc(CNC(=O)c2cccs2)ccc1OCc1ccccc1F 72427742 JYBQMYLDFLDIMN-UHFFFAOYSA-N 371.433 4.405 0 40 FIAB Cc1cccc2sc(NC(=O)C(C)(C)CNC(=O)OC(C)(C)C)nc12 79093076 GDZZPGAFVQMLSX-UHFFFAOYSA-N 363.483 4.094 0 40 FIAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 90450612 AZKTVSANDDIZDL-IYBDPMFKSA-N 367.832 4.251 0 40 FIAB Cc1cccc(-c2noc(COc3ccc(CCC(=O)O)cc3Cl)n2)c1 97166022 DKEZIGHJFVYADO-UHFFFAOYSA-N 372.808 4.295 0 40 FIAB Cc1ccccc1NC(=S)N1[C@@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 100427069 JXHJCSZNYGDEIX-IAGOWNOFSA-N 373.566 4.240 0 40 FIAB CC(C)N1CC[C@H](CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 106155723 YOHOPAYBOFSSOZ-NQIIRXRSSA-N 368.546 4.367 0 40 FIAB Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(Br)c(F)c1 106715301 QCWOQANRBPKYPL-UHFFFAOYSA-N 374.213 4.335 0 40 FIAB COC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 216779670 XOBFRUIFAVKITE-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 222796681 NIQMVCOISUZWGF-RBUKOAKNSA-N 366.465 4.004 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)cc1 224688896 XZONMJKQLLEFRA-UHFFFAOYSA-N 363.788 4.492 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1 224689167 YZTXYCQJHOUXSE-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225567497 HNFXNTYLZJJATL-UHFFFAOYSA-N 353.462 4.389 0 40 FIAB S=C(NCCCc1cccc2ccccc12)Nc1ccc2c(c1)OCO2 225808462 DGEKOJZPQWYANK-UHFFFAOYSA-N 364.470 4.488 0 40 FIAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2cc(Cl)ccc21 225826461 OMOHAQXMFUSRBO-UHFFFAOYSA-N 359.828 4.479 0 40 FIAB Cc1ccc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1 226309608 VKUMTIYLNFOUPN-UHFFFAOYSA-N 362.252 4.202 0 40 FIAB Cc1nccc([C@@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257323301 WJNUUKGOYWGOON-IBGZPJMESA-N 363.417 4.080 0 40 FIAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 328844551 WXUOTEXGSDYLCK-VQTJNVASSA-N 372.472 4.255 0 40 FIAB COC(=O)c1ccc(C(=O)N[C@H](c2ccsc2)c2cccs2)cc1 390826129 CLKKVLVFCWRFJM-MRXNPFEDSA-N 357.456 4.116 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc1 408548739 UHBVIZNQQBPDBV-CQSZACIVSA-N 360.413 4.226 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C 408605046 JOANNXKHZWDRQO-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc21 408713179 NBZGQIBMTQEBPS-UHFFFAOYSA-N 374.484 4.116 0 40 FIAB C[C@@H](N[C@H](C)C1CC(F)(F)C1)c1ccc(NC(=O)c2ccncc2)cc1 529552038 WUJJUTCWSRAUDZ-ZIAGYGMSSA-N 359.420 4.418 0 40 FIAB Cc1ncsc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C 574130875 CGUBDAXURKGCFL-UHFFFAOYSA-N 369.494 4.389 0 40 FIAB CC(C)n1ccc2c(NC(=O)NC[C@@H]3COc4ccccc4O3)cccc21 604419299 MEOKKMMOINRITC-OAHLLOKOSA-N 365.433 4.184 0 40 FIAB C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1csc(N(C)c2ccccc2)n1 626727005 OLVXLYGRMYZLOH-YPMHNXCESA-N 369.412 4.324 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2N1c1cccc(F)c1 1615153493 DINGEQPDTYYTNA-APWZRJJASA-N 372.509 4.336 0 40 FIAB Cc1ccnc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 724386 UQGPKISHFUFSSC-UHFFFAOYSA-N 361.470 4.035 0 40 FIAB CCCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 2268939 URRGLFJBEJLNTH-UHFFFAOYSA-N 365.502 4.470 0 40 FIAB c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCO5)n23)cc1 2890834 FAJCGZHBOLNVBI-UHFFFAOYSA-N 367.455 4.479 0 40 FIAB CC[C@@H](COC(=O)Nc1ccc(Cl)c(Cl)c1)NC(=O)OC(C)C 3149655 GYAFVFAGJZOFGN-JTQLQIEISA-N 363.241 4.455 0 40 FIAB O=C(COC(=O)c1sc2ccccc2c1Cl)NCC1CCCCC1 3235561 KIROIRUELKLCIN-UHFFFAOYSA-N 365.882 4.408 0 40 FIAB aggregator CN(Cc1ccccc1)Cn1nc2c(Cl)cc(Cl)cn2c1=S 3345391 PAHJNHXULUGXFM-UHFFFAOYSA-N 353.278 4.262 0 40 FIAB Cc1cccc(NC(=O)CN(C)Cc2ccc(Br)cc2)c1C 3540467 ASYLSKVAQPVGOS-UHFFFAOYSA-N 361.283 4.136 0 40 FIAB CC(C)c1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 3599180 QTNQSUYBWAJBLV-UHFFFAOYSA-N 365.462 4.065 0 40 FIAB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 3610877 DTNNUFDHDRERGU-KRWDZBQOSA-N 367.207 4.100 0 40 FIAB CC(=O)O[C@@]1(C#N)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4026011 UJVLVOCWWBXPQK-REGVOWLASA-N 355.478 4.344 0 40 FIAB biogenic COc1ccc(N2C(=O)C(F)(F)[C@@H]2c2ccc(Br)cc2)cc1 4070094 LAXNFGYTXAFZOZ-AWEZNQCLSA-N 368.177 4.181 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1cccnc1 4329787 DCBJVRAUFQRQOW-SFHVURJKSA-N 352.825 4.174 0 40 FIAB O=C(CNc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 4513358 MCBQXVXJGZQJIQ-UHFFFAOYSA-N 357.866 4.438 0 40 FIAB CC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1 4728742 BRPNLWHJOYRPDW-LJQANCHMSA-N 350.426 4.092 0 40 FIAB c1ccc2c(c1)NCCOCCNc1ccccc1OCCCCCO2 4817396 USBIUFAGSRAWFO-UHFFFAOYSA-N 356.466 4.169 0 40 FIAB C[C@@H](OC(=O)/C=C/c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1 5113120 QLTJBYCXQBOWOO-ORAHPGNNSA-N 354.189 4.170 0 40 FIAB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC 5475196 INACIXGWGKNAMD-GDNBJRDFSA-N 357.793 4.092 0 40 FIAB COc1cc(NC(=O)COc2cc(C(C)C)ccc2C)cc(OC)c1OC 6213264 RTBSIGZPLOTIAV-UHFFFAOYSA-N 373.449 4.162 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)oc2c1 6305062 GDYCMJWLAAZNEH-UHFFFAOYSA-N 364.188 4.345 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 6307728 FBHKRZPJSUXOHA-UXBLZVDNSA-N 353.418 4.373 0 40 FIAB CCSc1nnc(NC(=O)c2sc(-c3cccs3)nc2C)s1 6789288 DZVASKJXQVMVRE-UHFFFAOYSA-N 368.534 4.396 0 40 FIAB Cc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)cc1C 6901071 YEKREYNMVXPCPK-ZIAGYGMSSA-N 364.497 4.206 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(C)c1 7217431 MPMKSBGFNLFROS-INIZCTEOSA-N 372.515 4.439 0 40 FIAB Cn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1C1CC1 7235217 PIDUERWEOJRDEH-UHFFFAOYSA-N 370.522 4.151 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@H](C)c1ccccc1 8072474 PODQNWJVCOKAIM-AWEZNQCLSA-N 353.853 4.368 0 40 FIAB O=C(NCCCSc1ccccc1)c1ccc(OC[C@@H]2CCCO2)cc1 8076068 NEDWGVYIIYQXFF-IBGZPJMESA-N 371.502 4.157 0 40 FIAB O=C(Cc1coc(-c2ccccc2)n1)NCC12CC3CC(CC(C3)C1)C2 8325997 KJRGWOSUNGFGTB-UHFFFAOYSA-N 350.462 4.217 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)cs1)c1cccs1 8749250 WYPRJLGOTICRMD-AWEZNQCLSA-N 371.487 4.078 0 40 FIAB Cc1cccc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)c1 9205016 FJVSAXBIJRLHTR-UHFFFAOYSA-N 353.393 4.335 0 40 FIAB O=C(NCc1ccccc1)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 9340933 PWIURTWWZNPFNP-UHFFFAOYSA-N 369.424 4.090 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C)c2C)c1 9579162 HIQADSMNVMBUID-UHFFFAOYSA-N 352.463 4.172 0 40 FIAB COc1ccccc1NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 10382250 LADKTGILDNFXIK-UHFFFAOYSA-N 373.884 4.088 0 40 FIAB CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc1 11913988 DQWSILJASHQKGH-UHFFFAOYSA-N 367.405 4.175 0 40 FIAB CC1CCN(C[C@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)CC1 12421973 MEVCGRIXYSZRDS-INIZCTEOSA-N 360.929 4.266 0 40 FIAB Cc1nnc(-c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)o1 12443867 KUMKKEQKWWJEDO-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc(F)cc1Br 12773016 ZGZBYSHZMIBJRY-PWSUYJOCSA-N 368.168 4.439 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl 12798544 DUVGIXXPPFYQDB-UHFFFAOYSA-N 363.244 4.482 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 12859762 FREVRFWAMGNIPF-LLVKDONJSA-N 361.800 4.495 0 40 FIAB CCC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 12904716 GGNHUKBVHRYDHC-CQSZACIVSA-N 356.491 4.248 0 40 FIAB CC(C)c1ccccc1NC(=O)CCCNC(=O)c1ccc(F)cc1F 12925945 STNVLCGSWCXFIS-UHFFFAOYSA-N 360.404 4.237 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(OC)c(C)c1 13971759 BMONWBKKHZKOMQ-UHFFFAOYSA-N 367.401 4.108 0 40 FIAB COc1ccc(CN(Cc2sccc2C)C[C@@H]2CCCO2)cc1OC 13994154 DIYXKNBRKIOHSS-KRWDZBQOSA-N 361.507 4.255 0 40 FIAB COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1OC 14109635 GGXPHRLOPDZMEB-UHFFFAOYSA-N 371.364 4.267 0 40 FIAB O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 14242371 FMAMTAUBQHVUML-GOSISDBHSA-N 374.469 4.459 0 40 FIAB CCOC(=O)c1ccc(Nc2c(-c3ccc(O)cc3)nc3ncccn23)cc1 15414261 STVBCKGCGLUYPC-UHFFFAOYSA-N 374.400 4.022 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCc1csc(-c2ccccc2)n1 15832352 YAOAQXMDZFEDRI-ZDUSSCGKSA-N 356.422 4.033 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c(C)c1 24452555 YZNFEYRFWMADNP-UHFFFAOYSA-N 357.400 4.317 0 40 FIAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccccn1 24978696 XVAGXROAXCAMQK-JTSKRJEESA-N 370.456 4.266 0 40 FIAB CSc1ccc(C)c(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 25898874 NLNSEFDAZJFOJX-UHFFFAOYSA-N 368.546 4.284 0 40 FIAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)NC2CCCC2)cc1 29320712 YIRBNPYAEUQVLJ-UHFFFAOYSA-N 351.494 4.157 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)N[C@H](c1ccccc1)C1CC1 31104402 YCUNIASHTDGGKO-HXUWFJFHSA-N 365.477 4.354 0 40 FIAB COc1ccccc1[C@@H]1c2cc3c(cc2O[C@H](N2CCCC2)[C@@H]1C)OCO3 31860836 GUTQDDXXUDZPIR-ZLUZWTFRSA-N 367.445 4.006 0 40 FIAB CC[C@H](C(=O)NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1 32911945 TVJIXJLAQHOMGI-INIZCTEOSA-N 365.399 4.212 0 40 FIAB Cc1noc(-c2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc2)n1 32970339 QQKZIEMWGYTMOQ-YVEFUNNKSA-N 351.406 4.034 0 40 FIAB CCc1cc(C(=O)N2CCCC[C@H]2C)c2c(C)nn(-c3ccccc3)c2n1 36621733 PHDDSUYCSOILFD-OAHLLOKOSA-N 362.477 4.306 0 40 FIAB CC(C)C(=O)Nc1ccc(NC(=O)N[C@@H](C)CCc2ccccc2)cc1 40104019 UQYIMJREHVHGMZ-INIZCTEOSA-N 353.466 4.424 0 40 FIAB O=C(Nc1cccc(N2CCCC2)c1)[C@H]1COc2ccc(Cl)cc2C1 40146368 BHRPXWJAHBTQQO-OAHLLOKOSA-N 356.853 4.130 0 40 FIAB CCOc1ccc(CCC(=O)N(C)Cc2ccc(C)cc2)cc1OCC 44844827 HDQVWAPFMQQSCR-UHFFFAOYSA-N 355.478 4.384 0 40 FIAB O=C(c1ccccc1I)c1cncc2ccccc12 45028887 NPTMPPVXESKXDD-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)Cc3ccccc3F)CC2)c(C)c1 46393866 IFGVMRLWJYLREO-UHFFFAOYSA-N 353.437 4.107 0 40 FIAB COc1ccc2c(ccn2CC(=O)Nc2nnc(C3CCCCC3)s2)c1 49550172 FIAXMCVKCVBWFQ-UHFFFAOYSA-N 370.478 4.188 0 40 FIAB O=C1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccc(Cl)cc21 49597433 GAEWXLLIERNCTP-UHFFFAOYSA-N 359.828 4.479 0 40 FIAB C[C@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccc(-n2ccnc2)cc1 56793373 JQPHAWQRBVEUBO-OXJNMPFZSA-N 352.482 4.298 0 40 FIAB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 57406359 KIHXICPAXXYZBY-MRXNPFEDSA-N 374.440 4.122 0 40 FIAB CC(=O)Nc1ccc(CN[C@H]2CCc3cc(Br)ccc32)cc1 58202858 MTUVPLXWQVXWNL-SFHVURJKSA-N 359.267 4.185 0 40 FIAB Cc1cc(C)c(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 60512903 SZEYNTAWWAJQEV-UHFFFAOYSA-N 371.912 4.026 0 40 FIAB Cc1noc(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCCCCC1 71282644 LOZDBKSQNLRPKC-AWEZNQCLSA-N 358.442 4.190 0 40 FIAB COc1cccc(-c2cn[nH]c2C2CCN(c3ncccc3F)CC2)c1 71315302 GEYQYHCWBVWSAO-UHFFFAOYSA-N 352.413 4.003 0 40 FIAB OC1=Nc2ncn(-c3ccc(F)cc3)c2[C@H](c2ccc(O)cc2)SC1 79480928 JNNPLBDLNTZRTC-KRWDZBQOSA-N 355.394 4.141 0 40 FIAB C[C@H]1CN(CCCNc2cc(C(F)(F)F)nc3ccccc23)C[C@H](C)O1 89936640 ASCLLYJBEUMKJR-KBPBESRZSA-N 367.415 4.165 0 40 FIAB O=C(CCN1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 95454781 BFKDPALVEXNKLX-INIZCTEOSA-N 352.409 4.419 0 40 FIAB Cc1ccc(NC(=O)c2ccc3nnc4ncn(C5CCCC5)c4c3c2)cn1 96146592 RYDZOVOCQGNFDF-UHFFFAOYSA-N 372.432 4.050 0 40 FIAB Fc1c(Br)cc(Br)c(F)c1Br 98175167 JXKVIOSRJSQPEZ-UHFFFAOYSA-N 350.782 4.252 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 100664010 WPEMSHFJDFYNQV-SOXBMFEASA-N 357.409 4.036 0 40 FIAB O=C(C1[C@H]2CCCC[C@H]12)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 100749591 SNMDIRNDGXSROL-UERWRGBPSA-N 370.512 4.089 0 40 FIAB CC(C)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 109760700 KLHJYVSZECNHJW-UHFFFAOYSA-N 368.296 4.051 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1Br 119873612 IHIPKLWOHZBHAB-CQSZACIVSA-N 352.203 4.384 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)c1 219590781 QGISQNVPEFXQCW-LJQANCHMSA-N 355.434 4.276 0 40 FIAB O=C(O)/C=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 219622989 BKOBFLVYTXYFQZ-OWOJBTEDSA-N 358.078 4.028 0 40 FIAB CC(C)Oc1cccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1 222579596 FWANPHAVPSLNOD-KYNGSXCRSA-N 353.491 4.458 0 40 FIAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1Cc1ccccc1 223369715 JIGGEYPVXWPKSD-MSOLQXFVSA-N 351.500 4.316 0 40 FIAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CC 223421406 JHDXMSMAHHUQFK-GFCCVEGCSA-N 359.297 4.037 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1C 224095956 ZOVWIFWCFIIVHD-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)s1 224869978 SROMTKPOEFNCDZ-ZDUSSCGKSA-N 351.497 4.009 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NS(=O)(=O)c1ccc(F)c(C)c1 225608569 XHSOQQRWOXQRDK-QGZVFWFLSA-N 363.454 4.023 0 40 FIAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 225610189 GZVWOZWCGYJMIW-OAHLLOKOSA-N 373.758 4.092 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCCCC1 225659264 UDAAHSOUSMJEQK-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(C)cn2)cc1OCC 225752286 POCAXQGPOMJGOJ-AWEZNQCLSA-N 359.495 4.235 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1C 226288180 HONPNDAEQBQSNT-UHFFFAOYSA-N 372.424 4.416 0 40 FIAB c1ccc([C@@H]2CN(c3ncnc4c3oc3ccccc34)[C@H]3CCOC[C@H]32)cc1 329183772 FTDADYWXQZTLHC-FHWLQOOXSA-N 371.440 4.385 0 40 FIAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)c1 408652663 DRYZAELSABCGKO-IBGZPJMESA-N 359.425 4.415 0 40 FIAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(C)c1)c1ccccc1 408979262 LWJISPBAUBNNCU-KRWDZBQOSA-N 360.841 4.464 0 40 FIAB COc1cc2c(cc1OC)CCN(Cc1cccc(-c3cccnc3)c1)CC2 512044285 DYZCRKCEHQRUQR-UHFFFAOYSA-N 374.484 4.367 0 40 FIAB CC[C@H](NC(=O)c1cc2ccccc2c(=O)n1C)c1ccc(Cl)s1 512925240 DBXQZTALJNZPQD-ZDUSSCGKSA-N 360.866 4.135 0 40 FIAB O=C(CCc1nc(C2CCCC2)no1)N1CCCC[C@@H]1Cc1ccccc1 532137723 YUELOPLGXPZEIB-LJQANCHMSA-N 367.493 4.284 0 40 FIAB CC(=O)N1CCc2c(NC(=O)CO[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cccc21 545306113 AZQRXNCDDYDCDD-LDBYXDLTSA-N 372.509 4.012 0 40 FIAB Cc1csc2ncnc(N3CCC[C@H](c4ncc(C(F)(F)F)[nH]4)C3)c12 579210411 ACIXPHNRRNUYGD-JTQLQIEISA-N 367.400 4.126 0 40 FIAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(Cc1ccc(C)o1)CC2 585103268 NXDVGUZFEIZVRC-IBGZPJMESA-N 374.550 4.010 0 40 FIAB O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(Cn2ccnc2)cc1 642587498 IMSWRLSLOIALBC-UHFFFAOYSA-N 374.488 4.170 0 40 FIAB CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC[C@H]2CCCO2)cc1 888786 NAGUYFMKUFMXJA-QGZVFWFLSA-N 370.884 4.312 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)N1[C@H](C)CCC[C@H]1C)OCO3 930004 CNZRPSKZVOKQJC-ZIAGYGMSSA-N 372.490 4.154 0 40 FIAB COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C)cc1 958144 HPFJNSSWJVZROG-JLHYYAGUSA-N 353.418 4.014 0 40 FIAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nc(C(F)(F)F)cc1=O 1400814 JSJXRQQSCZEJNH-UHFFFAOYSA-N 356.413 4.389 0 40 FIAB Cc1c([C@@H](C)OC(=O)Nc2cccc(C(F)(F)F)c2)sc2ncnn12 1405002 HCVARLLAFMEMRM-SECBINFHSA-N 370.356 4.428 0 40 FIAB CCOC(=O)c1[nH]c(C)c(C(C)c2c(C)[nH]c(C(=O)OCC)c2C)c1C 1769062 IZXQWLSNVFAETR-UHFFFAOYSA-N 360.454 4.082 0 40 FIAB Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2c(Cl)cccc12 2634669 VXIDUOHARNAMDT-UHFFFAOYSA-N 372.827 4.496 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 2646037 ZAEOQFYCHKNHGF-UHFFFAOYSA-N 360.385 4.278 0 40 FIAB Cc1cccc(NC(=S)Nc2ccc(I)cc2)c1 2663398 JPFBGEQNUCHONN-UHFFFAOYSA-N 368.243 4.409 0 40 FIAB CCCCOC(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F 3183346 RAMBNBJELWYWTB-UHFFFAOYSA-N 373.297 4.149 0 40 FIAB O=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCCCCC1 3371268 WYWTYPMFTHJIJF-UHFFFAOYSA-N 358.265 4.379 0 40 FIAB CCCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2)c1C 3452864 JFRVIEIBNGHMPF-UHFFFAOYSA-N 354.479 4.071 0 40 FIAB O=C1OCC[C@H]1Sc1nc2cc(Cl)ccc2n1Cc1ccccc1 3534170 RLWJVMPRIWVGGZ-MRXNPFEDSA-N 358.850 4.146 0 40 FIAB COc1ccccc1NC(=O)CCCc1nc(-c2ccc(C)cc2)no1 4433856 LXPYHZKVKIEKHB-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1 5046822 HGSCPXUZEIZZMP-UHFFFAOYSA-N 350.447 4.090 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 5213565 LCUHLGWURALCQG-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB O=C(Nc1cccc(I)c1)c1ccccc1Cl 5771755 KGLUBUXMQWUQHR-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB CCOc1ccc2nc(NC(=O)COc3ccc4c(c3)CCC4)sc2c1 5937691 JCGRIIIHUOTCIW-UHFFFAOYSA-N 368.458 4.201 0 40 FIAB COc1cccc(-c2nc(S)c3c(n2)Oc2ccccc2C3)c1OC 6009489 LTKAWUHBTWHJCA-UHFFFAOYSA-N 352.415 4.146 0 40 FIAB CCOc1ncccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 6936056 SUTASYPBPZKKGB-OAHLLOKOSA-N 353.447 4.067 0 40 FIAB COc1ccc2c(CSc3ccc(NC(C)=O)cc3)cc(=O)oc2c1 7027752 MHKPWDMGFWOHOS-UHFFFAOYSA-N 355.415 4.052 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 7079610 XXTAQWMPUMUXHV-RDJZCZTQSA-N 366.461 4.200 0 40 FIAB CCc1nnc(S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)O)[nH]1 7342526 RGBGKPPFINTMLE-UVTDQMKNSA-N 374.853 4.029 0 40 FIAB Cc1ccc(SCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7448453 BAZRIBASEQDLBN-UHFFFAOYSA-N 368.546 4.389 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)c(OC)c1 7741256 SOCDFAPAEBLULB-GOSISDBHSA-N 365.433 4.091 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)ccc1Cl 8558302 FRXZNMVFGCHCRO-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccccn2)cs1 8656939 ICSJGTIIMPFFAZ-UHFFFAOYSA-N 362.414 4.421 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(O)c2ccccc12 8735567 ZSENZWJBQGHRGS-UHFFFAOYSA-N 351.450 4.196 0 40 FIAB O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c(-c3ccccc3)cnn12 9105722 DLEAFZYOFHNNKV-UHFFFAOYSA-N 368.849 4.030 0 40 FIAB COc1cccc2cc(-c3nnc(NC(=O)/C=C/c4cccs4)o3)oc12 9166967 RBBBJYLCTMLMFL-BQYQJAHWSA-N 367.386 4.205 0 40 FIAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc[nH]4)o3)cc2C1 9255721 YIEZWYASEKOFHY-SNVBAGLBSA-N 359.476 4.226 0 40 FIAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@H](c2ccccc2Cl)CC3=O)n1 10157192 ZKFVNVOAISQFBT-AWEZNQCLSA-N 366.852 4.154 0 40 FIAB COc1ccc(SCC(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 10219216 IMZPRAWLCQUOFP-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB Cc1ccccc1-c1noc(-c2nnn(-c3ccc(Cl)cc3)c2C)n1 10273381 JQBXEDBVCWOXGG-UHFFFAOYSA-N 351.797 4.255 0 40 FIAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccccc1)OCCO3 10368069 LDFBWDOPQJFHPX-MRXNPFEDSA-N 363.457 4.487 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2c[nH]c3ccccc23)CC1 10407251 PDWLVEIMNBFFBA-UHFFFAOYSA-N 363.417 4.308 0 40 FIAB Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(Cl)c2)cc1C 10641871 VZDJEWHRYFXDDE-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB O=C1CC[C@]2(C(=O)OCc3cccc(Cl)c3)Sc3ccccc3N12 10672967 MZPGPDXJJAJLEG-GOSISDBHSA-N 359.834 4.012 0 40 FIAB CCc1ccc2c(CSc3ncn(-c4ccccc4)n3)cc(=O)oc2c1 11476223 VXWHCHNXBQHFQF-UHFFFAOYSA-N 363.442 4.228 0 40 FIAB Cc1ccsc1CN(Cc1nc2ccccc2n1C(C)C)C[C@H](C)O 12147043 OUYPQYYFRWUURB-INIZCTEOSA-N 357.523 4.370 0 40 FIAB c1ccc(-c2cnc(-c3ccncc3)c(CNCCCn3ccnc3)c2)cc1 12221880 NNRWOVAEICQMRF-UHFFFAOYSA-N 369.472 4.187 0 40 FIAB COc1ccc([C@@H]2[C@@H](NC(=O)c3cccnc3C)[C@H]3CCCC[C@H]32)cc1 12366613 NANNOSCGQZJIFP-ANULTFPQSA-N 350.462 4.101 0 40 FIAB Cc1ccc(C)c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1 12561854 IOGWCBMNGKVWRZ-UHFFFAOYSA-N 365.521 4.364 0 40 FIAB Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)cc1C 12618984 HVHXROAFWOLBSJ-UHFFFAOYSA-N 357.475 4.029 0 40 FIAB COc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc(OC)c1OC 12764886 SPNHCWVFPLRHRA-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB O=C(Nc1cccc(-c2nc(-c3ccc(O)cc3O)cs2)c1)C1CC1 12921801 USKKJXGATADTNF-UHFFFAOYSA-N 352.415 4.237 0 40 FIAB CO[C@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1 13484131 LKCDRCCSEGFFNK-KLEFUKBASA-N 362.466 4.086 0 40 FIAB biogenic CNc1snc(C)c1C(=O)OCc1csc(-c2ccsc2)n1 16553887 STYZUMMCTFXXNF-UHFFFAOYSA-N 351.478 4.035 0 40 FIAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)C(C)C)CC3)c2)c1 19690975 CWXXXDUXSVNKHC-UHFFFAOYSA-N 352.478 4.428 0 40 FIAB O=C1[C@@H](C2CCN(c3cccnc3)CC2)CCCCN1Cc1ccccc1 19696348 JFFXRSDSHKMDMB-JOCHJYFZSA-N 363.505 4.127 0 40 FIAB Cc1cc(NC(=O)c2ccccc2)n(-c2nc3c(F)cccc3s2)n1 21685353 RPWOKVWWMXCELJ-UHFFFAOYSA-N 352.394 4.182 0 40 FIAB COc1ccc2cc(CNc3cccc(C(=O)N(C)C)c3)c(Cl)nc2c1 23902413 YHDNVFPCUZUMIQ-UHFFFAOYSA-N 369.852 4.211 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccnc(Cl)c1 25387534 XEFDHJICEMNYHT-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2ccccc2Cl)o1 28294743 TUNZDZSDHZIXJC-KRWDZBQOSA-N 374.824 4.133 0 40 FIAB Cc1ccccc1NCCC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 30394154 IBPFRECVCUWSMN-INIZCTEOSA-N 365.477 4.023 0 40 FIAB O=c1c(C(F)(F)F)cccn1Cc1csc(Nc2ccccc2)n1 31814981 KVHOJUAHFJIZOZ-UHFFFAOYSA-N 351.353 4.116 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)c1 32412494 LRLNKXRIGRRVJB-CHWSQXEVSA-N 363.841 4.002 0 40 FIAB Cc1ccc(Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)cc1 32616346 BTNLPRMIZXRQMZ-UHFFFAOYSA-N 353.472 4.247 0 40 FIAB COc1ccc([C@H](C)N(C)C(=O)c2ccc(Br)cc2F)cc1 32752811 PJWFWYHYRKMMCI-NSHDSACASA-N 366.230 4.430 0 40 FIAB O=C(OCc1coc(-c2cccs2)n1)c1c[nH]nc1-c1ccccc1 32865984 CLFJOJMYEYQHAN-UHFFFAOYSA-N 351.387 4.150 0 40 FIAB O=C(COc1cccc(-c2noc(-c3ccco3)n2)c1)Nc1ccccc1 33327421 ZPQXWYKMNOFKOI-UHFFFAOYSA-N 361.357 4.014 0 40 FIAB CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 38202312 CYSHNJQMYORNJI-BLKABHOGSA-N 358.478 4.461 0 40 FIAB biogenic,in-vitro O=C(Nc1c(F)cccc1F)C1CCN(Cc2ccc(Cl)cc2)CC1 39762083 APTPQOQHTIFYHJ-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB CN(CC(=O)Nc1ccc2c(c1)-c1ccccc1C2)C(=O)c1cccs1 40073653 PORJCRRPHDMLCA-UHFFFAOYSA-N 362.454 4.030 0 40 FIAB Cc1ccccc1CSCC(=O)NCc1ccc(-n2ccnc2C)cc1 44847165 ONHABYCMXAQFCZ-UHFFFAOYSA-N 365.502 4.039 0 40 FIAB O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCC[C@H]1c1ccncc1 47629645 PSTLJYSRKQYBFT-KRWDZBQOSA-N 367.840 4.290 0 40 FIAB CCn1cnnc1CNc1ncnc2scc(-c3ccc(Cl)cc3)c12 48300537 NANBUENARSQLHW-UHFFFAOYSA-N 370.869 4.235 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(NC(C)=O)cc1 49543897 RYUPVPBOSKVVLE-UHFFFAOYSA-N 368.462 4.097 0 40 FIAB O=C(CCn1ccc2c(Cl)cccc21)N1CCN(c2ccccc2)CC1 49551429 IQAMICSQZMAFCL-UHFFFAOYSA-N 367.880 4.034 0 40 FIAB CCCCN1CCCC[C@H]1CNC(=O)Cc1csc(-c2ccccc2)n1 58169401 CGADNZHJVCBUFX-IBGZPJMESA-N 371.550 4.123 0 40 FIAB O=C(CCc1ccc(Cl)s1)NC1CCN(CC2CCCC2)CC1 58421722 QQIGCFKCICBOHW-UHFFFAOYSA-N 354.947 4.105 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c(C)c1 59227400 GEWJOQXDGKLFHK-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 64985009 MCCGPJDRJTWJRQ-SNVBAGLBSA-N 368.202 4.003 0 40 FIAB Clc1ccc2[nH]c(-c3ccc(I)cc3)nc2c1 84436492 SXENNZUOSFEATL-UHFFFAOYSA-N 354.578 4.488 0 40 FIAB Cc1nc2ccccn2c1C(=O)N(Cc1ccoc1)Cc1cccs1 90612139 ZFJTUIBWDDZKNW-UHFFFAOYSA-N 351.431 4.140 0 40 FIAB Cc1ccc(OCCc2nnc(NC(=O)c3ccccc3)s2)cc1C 95116431 RZOQZCKKWYSGSO-UHFFFAOYSA-N 353.447 4.029 0 40 FIAB CCOc1ccc(C2=CCN(Cc3ccc(-n4cncn4)c(C)c3)CC2)cc1 96003283 JGJSDZMLWNDCPC-UHFFFAOYSA-N 374.488 4.264 0 40 FIAB Cn1cnc(-c2ccc(NC(=O)c3ccc(SC(F)F)cc3)cc2)n1 96011830 WEDYZZNMLVPICP-UHFFFAOYSA-N 360.389 4.049 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N(Cc1ccco1)C1CCOCC1 96025010 KOUTZJTZJKEESN-UHFFFAOYSA-N 353.340 4.120 0 40 FIAB Cc1cc(C)c(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)c(C)c1 96347284 BVZMGZVUABYKBO-UHFFFAOYSA-N 363.442 4.087 0 40 FIAB C[C@H]1CN(C(=O)[C@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@H](C)O1 103441464 JAYYSEHOJJNLGI-KKUMJFAQSA-N 352.434 4.022 0 40 FIAB O=C(NC[C@@H]1CCOc2ccccc21)c1occc1COc1ccccc1 108736536 PDPGRMZNNLPLRJ-INIZCTEOSA-N 363.413 4.155 0 40 FIAB COc1ccccc1[C@H](C)CC(=O)NC[C@@H](O)c1ccc2ccccc2c1 109689645 QUEZHVFGRVTPTB-IIBYNOLFSA-N 363.457 4.192 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 219547991 SWTARWBIYYSVDZ-SFHVURJKSA-N 355.478 4.218 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1OC 219604167 BMDZWHPODBPMCV-SFHVURJKSA-N 361.869 4.255 0 40 FIAB CCOc1cccc(CNC(=O)CSCc2ccc(Cl)cc2F)c1 223275611 HTCCHRSTELFASL-UHFFFAOYSA-N 367.873 4.427 0 40 FIAB COc1cccc(OCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1 223430500 OVCPXTPWRJMSJQ-LTGZKZEYSA-N 363.413 4.024 0 40 FIAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CN2CCCC2)cc1 223607624 ZKTNXPVRDILAHT-UHFFFAOYSA-N 374.484 4.244 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225078287 PXJWQPWJNPRTCA-MSOLQXFVSA-N 367.489 4.225 0 40 FIAB COc1ccc(NC(=S)NCCCSC2CCCCC2)c(OC)c1 225589997 PGAHAMRTXKJIIG-UHFFFAOYSA-N 368.568 4.446 0 40 FIAB O=C(O)[C@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1Cl 256014044 YQSKYFYLKJOQMT-HOTGVXAUSA-N 350.245 4.294 0 40 FIAB CC[C@H](C)n1ncc(C(=O)N2CCC(Nc3cccc(C)c3)CC2)c1C 331075974 HTEZBQMWLJTHPK-INIZCTEOSA-N 354.498 4.188 0 40 FIAB CCn1c(Cc2ccccc2)nnc1SCCOc1ccc(C)cc1 409108914 ZLHLIZCGNJKNHB-UHFFFAOYSA-N 353.491 4.368 0 40 FIAB CC(C)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1 1565519272 IHNHJKDKDBHCNU-UHFFFAOYSA-N 363.426 4.023 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)Nc1ccccc1F 1775966818 CMRQXAYNIHYARF-GOSISDBHSA-N 356.422 4.409 0 40 FIAB OC1(c2ccc(Cl)cc2)CCN(c2ncccc2C(F)(F)F)CC1 2086943104 DTNAWRFBRIXFNT-UHFFFAOYSA-N 356.775 4.242 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2)c1 664102 YTBMYMDDFJPBMJ-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB OC1=N[C@@H](c2cc3c(cc2Cl)OCO3)Nc2sc3c(c21)CCCC3 903932 AZUUDJQZDAHQHQ-OAHLLOKOSA-N 362.838 4.438 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)N[C@@H]4CCCC[C@@H]4C)sc3nc2c1 933896 GJAVYILJPXVOLZ-XHDPSFHLSA-N 369.490 4.349 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 947122 WBRIJCAHGHAQBK-VQHVLOKHSA-N 351.324 4.375 0 40 FIAB O=C1S[C@@H](Nc2cccc(Br)c2)C(=O)N1c1ccccc1 2245005 GWAFFWHNMZVOAA-CYBMUJFWSA-N 363.236 4.087 0 40 FIAB CCc1nc(SCC(=O)NC2CCCCC2)c2oc3ccccc3c2n1 2454330 GPRZNHCQQKUNMH-UHFFFAOYSA-N 369.490 4.479 0 40 FIAB CCOc1ccc(-n2c(S[C@H](C)CC)nc3c(c2=O)SCC3)cc1 2719907 YSQZSYHLAMQOFG-GFCCVEGCSA-N 362.520 4.170 0 40 FIAB CC(C)c1ccc(CN(C)C(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc1 3324307 SFSGPMOJUXDWLW-QGZVFWFLSA-N 368.477 4.083 0 40 FIAB COc1ccccc1Cn1c(-c2ccco2)nc2nc3ccccc3nc21 4326279 GOYBBZDKYDGEBH-UHFFFAOYSA-N 356.385 4.296 0 40 FIAB COc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)cc1C 4667058 ZTNFILAKRJFMOI-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 6023136 ITNTYUHUBOFYHF-UHFFFAOYSA-N 353.919 4.189 0 40 FIAB CCN(C[C@@H](O)c1cccc(O)c1)C(=O)Nc1cccc2ccccc12 6462935 ONLQJNMNHWIIAD-HXUWFJFHSA-N 350.418 4.133 0 40 FIAB O=C(COC(=O)CSc1ccccc1)Nc1ccc(Cl)c(Cl)c1 6886844 ZQLVCVGBVWYKBF-UHFFFAOYSA-N 370.257 4.267 0 40 FIAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)NC12CC3CC(CC(C3)C1)C2 6916470 KOBABZYEJDDGMP-JHMRYYBSSA-N 373.518 4.023 0 40 FIAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(C4CC4)o3)n2)cc1 7288855 OOYKHIUZBAFJDD-UHFFFAOYSA-N 372.475 4.110 0 40 FIAB Cc1cc(=O)n2nc(CSc3c(Cl)cccc3Cl)sc2n1 7478096 GWWCEUHDOICZKV-UHFFFAOYSA-N 358.275 4.059 0 40 FIAB O=C(O)c1ccc2c(=O)[nH]c(/C(Cl)=C/c3cccc(Cl)c3)nc2c1 7502938 DJRCVUWKQCOFFS-QPEQYQDCSA-N 361.184 4.012 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 7696790 RJFASJNKGHIYAV-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccccc2C)CC1=O 7928206 HQPBZVZSTNYDSS-SFHVURJKSA-N 350.462 4.111 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSC1CCCCC1 8041488 FKBUHKWCOKAPHY-INIZCTEOSA-N 351.512 4.035 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1 8114555 RTYFNBRZTCNXGQ-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2[nH]1 9483392 XTYVIBKKNDVHGK-SNVBAGLBSA-N 363.874 4.113 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1csc(-c2ccsc2)n1 9690905 CJDMSUHRPMPIMP-HNNXBMFYSA-N 373.503 4.032 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)cc1 10330487 IEKCLZPHNPSECB-JOCHJYFZSA-N 362.473 4.271 0 40 FIAB Brc1cnc(NCc2ccccc2)nc1OCc1ccccc1 12359400 OWAQGZVVTHQXOM-UHFFFAOYSA-N 370.250 4.430 0 40 FIAB Clc1ccc(C2(NCc3cnc(N4CCCCC4)nc3)CCC2)cc1 12361777 XUVCXPQPJOUMCM-UHFFFAOYSA-N 356.901 4.289 0 40 FIAB CC[C@H](C)c1ccc([C@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12971952 YZIYRYZCMQGJML-DJJJIMSYSA-N 364.478 4.296 0 40 FIAB O=C1C[C@H](Nc2ccc3cc[nH]c3c2)C(=O)N1c1cc(Cl)ccc1Cl 13577276 XCFYXWUZQYOYMN-HNNXBMFYSA-N 374.227 4.219 0 40 FIAB CC(C)(C)c1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1 17172986 SJFZZHGHIHLDHQ-UHFFFAOYSA-N 354.435 4.322 0 40 FIAB Cc1ccccc1C(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19236766 XQLVHASKXZDCIG-UHFFFAOYSA-N 353.447 4.126 0 40 FIAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694407 SSHOYCIPZWSBLQ-GOSISDBHSA-N 370.472 4.058 0 40 FIAB CCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 20141442 WANQJKPTUGQPPD-UHFFFAOYSA-N 367.401 4.099 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)c(Cl)c1 20144220 QVGFQTSBIWITHJ-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB CCCNC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20595240 ORMBYKQAMVSNCG-INIZCTEOSA-N 370.840 4.189 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 20729892 RZADCJWYUTYLES-TZIWHRDSSA-N 350.462 4.358 0 40 FIAB Cc1ccc(CNC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 21892091 AUENVPAJJBJBBR-UHFFFAOYSA-N 350.443 4.239 0 40 FIAB Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCCCC3)c(O)n2n1 22626035 SDTYWPJPSFTZBZ-CQSZACIVSA-N 362.886 4.034 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1cc(C2CC2)nn1-c1ccccc1 23116571 KCURCZMJHYHQKV-OAHLLOKOSA-N 361.445 4.249 0 40 FIAB Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c(C)c1 24574345 ZDSRMQLKQGUIEH-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCSCCOc1ccccc1 24832461 JXRWMHYBBPBMCF-UHFFFAOYSA-N 365.882 4.489 0 40 FIAB Cc1ccc([C@@H](NC(=O)/C=C/c2cnn(-c3ccccc3)c2)C2CC2)cc1 25161390 XJKOWFXNTKGEKU-VTJDKEBTSA-N 357.457 4.461 0 40 FIAB Fc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 25177864 VLQDGEIKOKSAPQ-UHFFFAOYSA-N 359.754 4.220 0 40 FIAB Cc1cc(C(=O)CN2CCC(C(=O)c3ccccc3)CC2)c(C)n1C(C)C 25946642 PWWZSUFXLKMZIC-UHFFFAOYSA-N 366.505 4.463 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 27445637 WDWYPHLWBSUQJG-ZDUSSCGKSA-N 357.837 4.022 0 40 FIAB CCn1nc(C)c(CN(C)C(=O)C(c2ccccc2)c2ccccc2)c1C 27929443 MKFJFWMPDOPTBM-UHFFFAOYSA-N 361.489 4.310 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc2ccccc12 28434158 DWYQFTQVFSRDKH-KXBFYZLASA-N 368.477 4.417 0 40 FIAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)c1 28535206 XNYKGDUJBVEELQ-UHFFFAOYSA-N 369.424 4.473 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1OC 28909515 NIQKJZCUBWPBSS-LLVKDONJSA-N 371.462 4.061 0 40 FIAB O=C(c1ccccc1OC(F)F)N1CCC(c2nc3ccccc3[nH]2)CC1 31176265 LUDINQJZJJFNTG-UHFFFAOYSA-N 371.387 4.184 0 40 FIAB Nc1nc2c(s1)[C@H](c1ccc(OCc3ccccc3)cc1)CC(O)=N2 32089196 ZFGYCMHYYFQIFY-HNNXBMFYSA-N 351.431 4.428 0 40 FIAB CCCC[C@H](CC)CNC(=O)N1CCN(c2ccccc2OCC)CC1 32801790 QVJVMNICCROQMN-SFHVURJKSA-N 361.530 4.133 0 40 FIAB CCc1noc(-c2ccccc2NC(=O)c2ccccc2Br)n1 33012691 BZFNUWKHNHVVJT-UHFFFAOYSA-N 372.222 4.314 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 34951535 XRBUHQSHVMXADY-SFHVURJKSA-N 372.468 4.270 0 40 FIAB O=C(NCCOc1cccc2cccnc12)c1cc(Cl)ccc1Cl 38681033 MVKDOCYDVJKVBJ-UHFFFAOYSA-N 361.228 4.350 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1ccc(OCc2cccnc2)cc1 40106771 WJISUZGWESKCFF-UHFFFAOYSA-N 366.848 4.173 0 40 FIAB Cc1ccc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 41097335 PEZZTHICLDULMM-LJQANCHMSA-N 372.896 4.109 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1Cl 44884746 CEWZTMXXMGHRDJ-LLVKDONJSA-N 365.788 4.062 0 40 FIAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCCCCC2)cc1 44931984 ZDMXEXHUTHWFMB-UHFFFAOYSA-N 366.505 4.391 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2ccc(-n3cccn3)cc2)cc1OC 45004521 KBQOFIFHYZHLDA-FQEVSTJZSA-N 363.461 4.227 0 40 FIAB O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(O)c(Cl)c1 48374630 HFQKQBJYAXZKSN-UHFFFAOYSA-N 372.783 4.302 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(SC)cc3)n[nH]2)c(OC)c1 57413103 YSWPLSURBJNBRO-UHFFFAOYSA-N 369.446 4.068 0 40 FIAB CC(C)N1CCC[C@H](CNc2nc(-c3ccncc3)nc3ccccc23)C1 63738893 BACUODROUXVPHU-QGZVFWFLSA-N 361.493 4.224 0 40 FIAB CCN(CC)C(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 66325488 CPWFVGSNERGCNT-UHFFFAOYSA-N 373.500 4.275 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)cnc1N1CCCC1 72218795 FWZKBYPJRDBDFT-FQEVSTJZSA-N 365.477 4.464 0 40 FIAB Cc1ccc(/C=C/S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1 72301039 BOJJAAFFHXCVPP-CMDGGOBGSA-N 357.353 4.132 0 40 FIAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4cccnc4)C3)n2)c1 72349369 JLVQNINLYKZHOK-OAQYLSRUSA-N 371.484 4.401 0 40 FIAB O=C(O)c1ccc([C@H]2SCC(O)=Nc3c2cnn3C2CCCC2)cc1 79493650 XWMQTXLLZCOKDB-MRXNPFEDSA-N 357.435 4.121 0 40 FIAB O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC(c2nc[nH]n2)CC1 83560174 SZNQINKJEXANBF-UHFFFAOYSA-N 363.421 4.009 0 40 FIAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1nccs1 95475778 CDDFLXASYGNSRY-INIZCTEOSA-N 373.909 4.131 0 40 FIAB Cc1cccc2c1NC(=O)[C@]21Nc2ccccc2C(=O)N1c1ccc(F)cc1 96136848 WRKIUKZLCCOWIE-QFIPXVFZSA-N 373.387 4.012 0 40 FIAB CN(Cc1cc(F)cc(C(F)(F)F)c1)Cc1nc2ccccc2n1C 97032735 DHWXIENLAIDDOQ-UHFFFAOYSA-N 351.347 4.363 0 40 FIAB Cc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)n1-c1nccs1 97285935 RCUKRKLDSSPZTB-STQMWFEESA-N 371.428 4.402 0 40 FIAB Cc1nc2ccc(NC(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2s1 100674555 OWDSJQPNCXFTCF-RCRDTURJSA-N 356.491 4.265 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 102146636 LEJMRXFTGSUPAV-HRCADAONSA-N 373.493 4.301 0 40 FIAB CN(Cc1ccccc1)C(=O)CCCN1C(=O)c2cccc3cccc1c23 219449959 LLIIEQOXCZEODH-UHFFFAOYSA-N 358.441 4.239 0 40 FIAB O=C(c1cc(-c2cccnc2)on1)N1CCS[C@@H](c2cccs2)CC1 219514596 MECYGAYPERWKFI-QGZVFWFLSA-N 371.487 4.119 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Cl 222843162 HLNPUKQLXPTAQK-CQSZACIVSA-N 374.868 4.193 0 40 FIAB Oc1cccnc1NC(=S)NCc1ccc(-c2ccc(Cl)cc2)o1 223915232 NVSKSCIUEJGKLZ-UHFFFAOYSA-N 359.838 4.187 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccc(F)cc3)o2)cc1 224863501 LGDKISJHKQHJTR-UHFFFAOYSA-N 368.408 4.128 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225257894 LNEIEBCLFDVYQK-UHFFFAOYSA-N 370.412 4.441 0 40 FIAB COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OC 225678050 VCYIXIZTQLPTBJ-UHFFFAOYSA-N 367.445 4.241 0 40 FIAB CO[C@H](CNC(=O)c1nc2ccccc2s1)c1ccc(Cl)s1 225701990 ZPQZMUJFUQDYLT-SNVBAGLBSA-N 352.868 4.129 0 40 FIAB COc1ccc(Cc2cnc([C@H]3CCCN3Cc3cncs3)o2)cc1 257258451 KTXPAMPCPPTWSL-GOSISDBHSA-N 355.463 4.068 0 40 FIAB O=C(c1cccs1)N1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257302436 SCYGANYPOVCJAM-CQSZACIVSA-N 356.422 4.096 0 40 FIAB Cc1ccc(CN2CCC(c3cncc(Nc4ncccn4)n3)CC2)cc1C 257322729 WHCWMXZTCHOXNC-UHFFFAOYSA-N 374.492 4.007 0 40 FIAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)ccc1O 260780987 SDASVQUPKJLZAI-GDIGMMSISA-N 369.490 4.165 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)c1C 408707800 MBBOGDDLVYHLML-LMDPOFIKSA-N 370.537 4.377 0 40 FIAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O 409012834 LGXLDYDTNCFSCO-ITTMYVLYSA-N 370.268 4.293 0 40 FIAB Cc1c(Cl)cccc1OCc1nc(-c2ccc3nccnc3c2)no1 545711369 LDGPALIBSWEANC-UHFFFAOYSA-N 352.781 4.221 0 40 FIAB O=C(c1ccc(Cl)cc1)C1CCN([C@@H](C(=O)O)c2ccccc2)CC1 563278510 XDINJPLSDDXCJR-GOSISDBHSA-N 357.837 4.061 0 40 FIAB C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)C[C@]1(C)CO 666890711 ZGMOGTZIYSSABP-SJKOYZFVSA-N 358.404 4.009 0 40 FIAB Oc1cc(CN2Cc3ccccc3N3CCC[C@@H]3C2)cc(C(F)(F)F)c1 1655427656 QODFJCQBKCAJCW-QGZVFWFLSA-N 362.395 4.396 0 40 FIAB O=S(=O)(c1cccc(OC(F)F)c1)N1CCC[C@@H](C2CCCCC2)C1 1656161495 FGXGDUBXNQFZGI-OAHLLOKOSA-N 373.465 4.269 0 40 FIAB CCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SC)nc2O1 688763 HJHSHRYCHVAMHN-QGZVFWFLSA-N 366.446 4.162 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(C)=O)cc1 850712 PGZRDYMGRWWMAE-UHFFFAOYSA-N 353.205 4.213 0 40 FIAB Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3C)C2=O)c(C)c1 945232 KMGRTKKBBWCOMN-UHFFFAOYSA-N 354.837 4.356 0 40 FIAB CCCCOc1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1OCC 2159934 ATPRQPKHQMUGHW-QINSGFPZSA-N 355.390 4.202 0 40 FIAB O=[N+]([O-])/C(=C(/I)c1ccccc1)c1ccccc1 2308647 YVRCGTWSYMCHLM-BUHFOSPRSA-N 351.143 4.224 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)on1 2465485 WUYMAKKCKWXPLH-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB CCc1ccc([C@@H]2C[C@H](c3c(F)cccc3Cl)n3nc(N)nc3N2)cc1 2472090 ZMZSDUXQWHFEHW-JKSUJKDBSA-N 371.847 4.362 0 40 FIAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 2485139 XZPCWOSWBJACLL-OAHLLOKOSA-N 352.228 4.367 0 40 FIAB CN(C)CCCNC(=O)c1cccc(COc2cccc3ccccc23)c1 2753289 NXCOARYHCFDUFW-UHFFFAOYSA-N 362.473 4.100 0 40 FIAB CC(C)N(C(=O)COC(=O)c1cc(F)c(F)cc1Cl)c1ccccc1 3271033 UZPOHTOYKDAPLC-UHFFFAOYSA-N 367.779 4.217 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1F 3495514 OQVMEUPULWBZQM-UHFFFAOYSA-N 372.450 4.122 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(I)cc2)cc1 3560180 PTTFZHUBMSLTBI-UHFFFAOYSA-N 351.187 4.106 0 40 FIAB COc1ccc(NC(=S)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1 3999349 FZLNTZOVDASIPF-AZUAARDMSA-N 367.518 4.008 0 40 FIAB biogenic Cc1cccc2sc(N3CCN(C(=O)/C=C/c4cccs4)CC3)nc12 4583469 VYMNWZBWTNPNAA-BQYQJAHWSA-N 369.515 4.028 0 40 FIAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 4671152 XWRKEVOWHJGBAT-UHFFFAOYSA-N 372.833 4.168 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 4994070 GSNXHHRZLGIZEZ-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)c1sccc1C 5173100 JFSKIHGHXUBDRZ-UHFFFAOYSA-N 354.269 4.100 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 5587039 GEVBYMWHAGEOJS-MRXNPFEDSA-N 354.450 4.092 0 40 FIAB CCOc1cc(C(=O)N(C)Cc2ccccc2)cc(OCC)c1OCC 5592968 SPOTVKITFRSCKR-UHFFFAOYSA-N 357.450 4.155 0 40 FIAB COc1cc(C)c(NC(=O)CCCc2c[nH]c3ccccc23)cc1OC 6259128 VOXWBWOBMBPWQN-UHFFFAOYSA-N 352.434 4.455 0 40 FIAB CC(=O)c1cccc(NC(=S)N2CCN(c3ccc(C)cc3)[C@H](C)C2)c1 6573462 LYCBRWLUDONWNP-MRXNPFEDSA-N 367.518 4.105 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 6629535 MKGMQDJXYNARJP-MHWRWJLKSA-N 355.463 4.244 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc(Br)cc1Cl 6838308 FQVPJCMOOYRBSE-GWCFXTLKSA-N 360.679 4.176 0 40 FIAB Fc1ccc(OCCSc2nnc3c(Cl)cc(Cl)cn23)cc1 6948125 MEKNODJBYALNML-UHFFFAOYSA-N 358.225 4.346 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(C)cc1 8041818 QKIJRGBQQQNLBZ-SFHVURJKSA-N 373.518 4.211 0 40 FIAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc12 8254621 AHIFZBURPWSUTA-RYQLBKOJSA-N 353.535 4.247 0 40 FIAB biogenic,in-vitro CCCC(=O)Nc1ccc2c(c1)nc(CSc1nc(C)cc(C)n1)n2C 8992363 HGRUOXMSLWSLSD-UHFFFAOYSA-N 369.494 4.011 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 9134198 DNDDNESQICLOAS-UHFFFAOYSA-N 362.351 4.257 0 40 FIAB CC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc2c(c1)OCCO2 9157793 IRVOVKRWNJKNOX-UHFFFAOYSA-N 364.445 4.437 0 40 FIAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccco3)c12 9266497 JWWGEJFWWUTJRK-UHFFFAOYSA-N 372.428 4.129 0 40 FIAB CCc1sc2nc(Nc3ccc(C(C)=O)cc3)n3nc(C)nc3c2c1C 9422552 ARZBCTIENZYYCH-UHFFFAOYSA-N 365.462 4.464 0 40 FIAB CC(C)(C)c1nnc2sc(-c3ccc(F)c(Br)c3)nn12 9481559 UEDNVKNDYWRUOB-UHFFFAOYSA-N 355.236 4.052 0 40 FIAB COc1cccc(-c2cn3c(C(=O)Nc4nc(C)cs4)csc3n2)c1 11902285 TZWUGINYXOMSEY-UHFFFAOYSA-N 370.459 4.089 0 40 FIAB C[C@H]1CN(Cn2nc(Nc3ccccc3Cl)sc2=S)C[C@H](C)O1 12889347 ABKJTILUZYCBCA-QWRGUYRKSA-N 370.931 4.138 0 40 FIAB CCc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)o2)cc1 14234610 DGDZFCFBNGWQFK-CZUORRHYSA-N 359.495 4.086 0 40 FIAB COc1ccc(CNC(=S)Nc2ccc(Br)c(C)c2)cc1 16221445 TXSDWCOCMBQCRW-UHFFFAOYSA-N 365.296 4.253 0 40 FIAB CCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)c(Cl)c(C)c1 16903692 WFNWGGCZRKTSPD-OAHLLOKOSA-N 358.869 4.309 0 40 FIAB COc1cc(NC(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 18176881 MMTWDIUHGQYLMQ-UHFFFAOYSA-N 350.802 4.318 0 40 FIAB COc1cc(CN2CCCCC[C@H]2c2cc(C)on2)cc(OC)c1OC 19119383 XNSHGRXKUUTVRQ-KRWDZBQOSA-N 360.454 4.126 0 40 FIAB CCn1nc2c(c1C(=O)Nc1ncc(Cc3ccccc3)s1)CCCC2 19524117 ZRNZKJDMAQJJTQ-UHFFFAOYSA-N 366.490 4.081 0 40 FIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(Br)c1 20137990 AGTWHFGQMAAKFZ-UHFFFAOYSA-N 372.218 4.454 0 40 FIAB Cc1cc(=O)oc2c3c(c(Cl)cc12)OCN([C@H](C)Cc1ccco1)C3 20649643 SNIGOBXPRKGBQL-GFCCVEGCSA-N 359.809 4.131 0 40 FIAB O=C1CC2(CCCCC2)Oc2c1ccc1c2CN(Cc2ccccn2)CO1 20745602 YHAPOMDYNCGHCY-UHFFFAOYSA-N 364.445 4.102 0 40 FIAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(-c4ccccc4)nn3cc21 20796294 ZBRJDRJWJQGQPH-OAHLLOKOSA-N 374.831 4.357 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1noc(-c2ccccc2)n1 21800359 HWWYPZWUTGLYDP-CQSZACIVSA-N 365.433 4.440 0 40 FIAB CC(C)Oc1ccc(C(=O)NCC2(c3cccs3)CCOCC2)cc1 23238081 OSFCBTIGVFSRFS-UHFFFAOYSA-N 359.491 4.014 0 40 FIAB COc1ccccc1-c1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)o1 24046113 CYAVHTSSUNJJQQ-SNVBAGLBSA-N 360.439 4.279 0 40 FIAB COC(=O)c1ccoc1COC(=O)c1ccc(-c2ccccc2Cl)o1 24104432 IWYNGWSNFHHOPY-UHFFFAOYSA-N 360.749 4.337 0 40 FIAB O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cc2c(s1)CCCCCC2 24393618 LCKDGNOROIQSRP-INIZCTEOSA-N 368.502 4.263 0 40 FIAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 24982819 JAQZHUDYVSVZKZ-UHFFFAOYSA-N 352.415 4.006 0 40 FIAB CC(C)c1nnc(NC(=O)COC(c2ccccc2)c2ccccc2)s1 26571107 JPYQUBNPVHRGOS-UHFFFAOYSA-N 367.474 4.406 0 40 FIAB CCOc1ccccc1C(=O)Nc1cnn(Cc2ccccc2Cl)c1 28229308 PHUVNEKEGPFVPW-UHFFFAOYSA-N 355.825 4.236 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)cc1 28573081 XIIRTYMHPOYWCB-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB O=C(NCc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2F)on1 30035900 ZERVDHXTRXZODO-UHFFFAOYSA-N 362.307 4.012 0 40 FIAB Cc1cc(-c2csc(CN3C(=O)c4ccccc4C3=O)n2)c(C)s1 30448566 ZJPGXEZJXCROQK-UHFFFAOYSA-N 354.456 4.285 0 40 FIAB C[C@H](OCc1ccccc1)C(=O)N[C@@H](C)c1cccc(Br)c1 30839916 PKJZBMXUNAYZIL-KBPBESRZSA-N 362.267 4.232 0 40 FIAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCC2 32863123 WBWHIEIGLRBDQE-GOSISDBHSA-N 363.505 4.158 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)c(C)c1 32901275 NXEUQALXDGRGAH-UHFFFAOYSA-N 357.397 4.456 0 40 FIAB Cc1nc(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc(C)c1C 34868525 DQZHLEJINWCRAV-GOSISDBHSA-N 355.507 4.248 0 40 FIAB COc1cccc(-c2cc(C(F)(F)F)nc(N3CCC[C@H](C)C3)n2)c1 36612867 RFBNDFSSTWEFLX-LBPRGKRZSA-N 351.372 4.407 0 40 FIAB CC(C)N1C[C@@H](C(=O)Nc2ccccc2SCc2ccsc2)CC1=O 40073902 IKQBYCVTNRZIOW-HNNXBMFYSA-N 374.531 4.236 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1OC 45382727 ULECNDJJDWDNSA-INIZCTEOSA-N 357.450 4.049 0 40 FIAB Cc1ccc2cc(C(=O)NCCc3ccc(-n4nc(C)cc4C)cc3)[nH]c2c1 48253027 JQXYIBDTCDRAJR-UHFFFAOYSA-N 372.472 4.251 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)N2CCCc3ccccc32)no1 57808037 FWQFIJISDKPFPL-UHFFFAOYSA-N 365.458 4.263 0 40 FIAB COc1ccc2c(C)cc3nnc(SCc4nc(C)c(C)o4)n3c2c1 63414230 FJKPRVIEWMIEDF-UHFFFAOYSA-N 354.435 4.097 0 40 FIAB COc1cccc([C@H](C)N(C)Cc2ccc(OC)c(OC(F)F)c2)c1 72309096 IAJLYLUEIQNBPH-ZDUSSCGKSA-N 351.393 4.498 0 40 FIAB COc1cc(C(=O)NCc2ccccc2Cl)nc2c(C)cc(F)cc12 72329511 CDIXWFOHIPHUPB-UHFFFAOYSA-N 358.800 4.274 0 40 FIAB O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@H](Nc2ccccc2)C1 80023213 HRIGQAFIBVVHDO-ZDUSSCGKSA-N 351.233 4.026 0 40 FIAB CC(C)(C)n1ccnc1SCC(=O)N1CCC[C@H]1/C=C/c1ccccc1 96004226 FKAKKZBZYZBDPF-DXRVJIQQSA-N 369.534 4.435 0 40 FIAB COc1ccc(C(=O)N2CCCC2)cc1NCCSc1ccccc1F 96006467 LDDBGGMBMDQACA-UHFFFAOYSA-N 374.481 4.275 0 40 FIAB CC(C)n1cc(CCC(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 96116876 FUOCXYWCVNTLTD-UHFFFAOYSA-N 360.461 4.348 0 40 FIAB CC(C)NC(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96155396 GWZKAGRYJYPOHJ-UHFFFAOYSA-N 362.408 4.069 0 40 FIAB CCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1 97133867 LFMBJSJCGADBAB-RKJGVCGYSA-N 355.478 4.203 0 40 FIAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423058 GUPSCVMIMKLGFE-PMACEKPBSA-N 353.441 4.143 0 40 FIAB CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(CC)cc1 101084933 RSDTTYWNKIRHHH-LAUBAEHRSA-N 352.434 4.417 0 40 FIAB COc1cccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3nnnc3N2)c1 101108049 JZRZOCPULSMUIV-OAHLLOKOSA-N 374.231 4.045 0 40 FIAB COc1ccc(C2=C[C@@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101215409 WVVQQTCEJANXKR-HNNXBMFYSA-N 374.231 4.045 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1C 101275428 WWAFUMSCCXUQNQ-MRXNPFEDSA-N 363.244 4.354 0 40 FIAB Cc1cc([C@H](C)NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)c(C)s1 112743309 LOBGMQHCFRZKHX-ZDUSSCGKSA-N 360.527 4.051 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 187957541 JYLHOFHQMAIYHZ-UHFFFAOYSA-N 366.845 4.309 0 40 FIAB Cn1cc(Cl)cc1C(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 189694648 UOKMDURMUUOMLL-KRWDZBQOSA-N 368.868 4.436 0 40 FIAB COc1cccc2cc(C(=O)N3CCS[C@@H](c4ccco4)CC3)oc12 207004893 KEGFYAROJUTDTE-QGZVFWFLSA-N 357.431 4.355 0 40 FIAB CC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc2c(c1)CCCC2 223011612 XGEUAJFBTCOXKJ-NRFANRHFSA-N 353.462 4.220 0 40 FIAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 223328524 MSVYZXAUMMJUSP-ZDUSSCGKSA-N 373.324 4.427 0 40 FIAB CCc1ccc(OCCNC(=O)CSCc2cccc(Cl)c2)cc1 223405066 WRSGIQRZZAXVHQ-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cc(C)ccc1C 224025453 OPMUYMXEXICUDQ-LJQANCHMSA-N 355.478 4.273 0 40 FIAB C[C@@H](CNS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 224213949 CGHFGAQUOZZZRQ-LBPRGKRZSA-N 358.290 4.217 0 40 FIAB CNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939134 MHYCRHKSWLHNSH-UHFFFAOYSA-N 357.207 4.131 0 40 FIAB Cc1ccccc1-c1noc(CNC(=O)C2(c3ccccc3)CCCC2)n1 225701957 VJYYIEOKCSOSCA-UHFFFAOYSA-N 361.445 4.173 0 40 FIAB COc1cccnc1NC(=S)NC1(c2ccccc2Cl)CCCC1 225875284 ZINRRKSSFNZQPP-UHFFFAOYSA-N 361.898 4.500 0 40 FIAB CC(C)(C)OC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257289634 PZNKQTQPKFYILT-UHFFFAOYSA-N 354.454 4.335 0 40 FIAB O=C(NCCCCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 408708231 WCHXADPXEDPESL-UHFFFAOYSA-N 365.260 4.071 0 40 FIAB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccccc1Cl 408969865 VVSJNBXXKSHCJV-UHFFFAOYSA-N 368.820 4.210 0 40 FIAB C[C@H](NCc1ccsc1C(F)(F)F)c1ccc(-n2ccnn2)cc1 529541834 KFKRIMANXKMYSH-NSHDSACASA-N 352.385 4.198 0 40 FIAB CCc1ccc([C@H]2CCCCCN2Cc2cc(=O)n3cccc(C)c3n2)o1 533426828 IYFLOVPXQHEVBJ-LJQANCHMSA-N 365.477 4.276 0 40 FIAB COc1ccncc1CN1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 558100597 NBLQRTWBRZTWPZ-QGZVFWFLSA-N 364.493 4.400 0 40 FIAB c1ccc(Cn2cc(-c3noc(-c4csc5ccccc45)n3)nn2)cc1 561858357 SIQOSXAXQSWHAE-UHFFFAOYSA-N 359.414 4.258 0 40 FIAB Cc1nc(CN2[C@@H](C)[C@@H](C(=O)O)CC[C@H]2C)oc1-c1ccc(Cl)cc1 564583544 DADVDFWRQGAZQH-FFSVYQOJSA-N 362.857 4.377 0 40 FIAB CSCC[C@@H](C(=O)NCc1nc2ccccc2n1C(C)C)n1cccc1 575443957 COERKHXETVDXHE-SFHVURJKSA-N 370.522 4.029 0 40 FIAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CC2(CCOCC2)[C@@H]1C1CC1 584215051 UUOLUDOYHHHSSI-FQEVSTJZSA-N 363.461 4.172 0 40 FIAB O[C@@H]1[C@@H](N2CCC(c3ccccc3)CC2)CCC[C@H]1Oc1cccc(F)c1 585289555 JTWZMDCPEBKAFI-YTFSRNRJSA-N 369.480 4.366 0 40 FIAB CCn1cc([C@@H]2OCCC[C@H]2CNc2cnn(C3CCCC3)c2C)cn1 657450181 LITYBSBFJGIQEO-OXJNMPFZSA-N 357.502 4.103 0 40 FIAB CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H](C)CCc1ccc(C)o1 684663513 WFKPPJHJQGIIHO-MAUKXSAKSA-N 358.486 4.062 0 40 FIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H](C)CCc1ccc(C)o1 684663517 WFKPPJHJQGIIHO-YJBOKZPZSA-N 358.486 4.062 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccc(Cl)s1 1775968169 LOVQIXRCPPBFHC-SECBINFHSA-N 353.852 4.186 0 40 FIAB CC(C)c1nc2sc3c(N4CCOCC4)ncnc3c2c2c1CCCC2 1306561 WDGPDSGSIZHQJU-UHFFFAOYSA-N 368.506 4.078 0 40 FIAB CCCN(C(=O)Cc1ccccc1)c1nnc(-c2cccc(C)c2)s1 1345423 ZRDFLXNFJLLPQV-UHFFFAOYSA-N 351.475 4.499 0 40 FIAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 2062834 NRNPQWBKTPRCCN-UHFFFAOYSA-N 357.793 4.098 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)c3ccc4ncsc4c3)nc12 2723960 FYDHLFSZBNQECX-UHFFFAOYSA-N 371.443 4.176 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCc1nnc(-c2ccccc2)o1 3531809 OPAXUDZMECTPFG-UHFFFAOYSA-N 361.357 4.057 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 4156605 KXPCTCPHKOGHBC-ATNYCFDYSA-N 365.816 4.444 0 40 FIAB Fc1ccc(-n2nnc3c(SCc4ccccc4Cl)ncnc32)cc1 4166710 VTPOGJIUYKFHCE-UHFFFAOYSA-N 371.828 4.295 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccco1 4814584 WIZYFJNHLPXZIC-UHFFFAOYSA-N 374.491 4.011 0 40 FIAB CCOc1ccc2nc(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)[nH]c2c1 4830335 ZADDICJOSYNTJH-MELADBBJSA-N 361.511 4.232 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 4890261 UGKPVFOVNZKPQL-MRXNPFEDSA-N 370.522 4.028 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(N(CC)CC)cc2)cc1 4896806 JIBOLYUSSCNWNE-UHFFFAOYSA-N 354.450 4.143 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(COc3cccc(C)c3)o2)cc1 5032887 KYKPDHCGCCCTRE-UHFFFAOYSA-N 364.401 4.378 0 40 FIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccccc2O)[nH]n1 5341758 ZHGOVHNVKKGKJX-UHFFFAOYSA-N 370.821 4.298 0 40 FIAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1 5868270 JTWHHFWFEWNMMN-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB CCCn1/c(=N/C(=O)c2oc3ccccc3c2COC)[nH]c2ccccc21 6153880 CUERVQYSLHRFEW-UHFFFAOYSA-N 363.417 4.013 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1C 6323146 WABADBBOWFDIMV-UHFFFAOYSA-N 370.518 4.397 0 40 FIAB Cc1nnc(CSc2ncnc3cc(-c4ccc(F)cc4)sc23)o1 6364609 PMWFBOKYCFUIEV-UHFFFAOYSA-N 358.423 4.481 0 40 FIAB Cc1ccccc1CSCc1nc(N)nc(Nc2ccccc2C)n1 6787108 LBWKDOYGRSDFCJ-UHFFFAOYSA-N 351.479 4.248 0 40 FIAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1 6886494 LWXQFOZROWALAN-UHFFFAOYSA-N 369.804 4.054 0 40 FIAB CCc1ccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1 7419629 DPWMKTSUWFCGGU-UHFFFAOYSA-N 367.478 4.395 0 40 FIAB Clc1ccccc1-c1noc(CSc2nnc(C3CC3)n2C2CC2)n1 7419640 PFXBVFUIRUTCDN-UHFFFAOYSA-N 373.869 4.486 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccccc3Cl)n2)cc1 7759871 DMUBIEIMSGAWHY-VAWYXSNFSA-N 367.836 4.370 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882497 KOXRUKWMFVWDML-GOSISDBHSA-N 358.441 4.448 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(OC)c(OC)c2)cc1 8229566 WNELNVYTIAVDBP-IBGZPJMESA-N 369.461 4.470 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)c1 8335571 CXYJXFVZYJCOHI-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 8476296 VYGYZPQMSRXGQX-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB CCCCOC(=O)c1cccc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c1 8844080 FLPWMLNIBOPZHP-UHFFFAOYSA-N 363.417 4.137 0 40 FIAB CC(C)Cn1c(SCC(=O)c2ccccc2F)nnc1-c1ccco1 8877004 PAPPXPMNNQWVQY-UHFFFAOYSA-N 359.426 4.308 0 40 FIAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccccc1F 8917104 HEDITBBZELDJTJ-SFHVURJKSA-N 351.377 4.196 0 40 FIAB COc1ccc(-c2csc3ncnc(NC4CCC(O)CC4)c23)cc1 9217209 AXVBKDYBCXUOGP-UHFFFAOYSA-N 355.463 4.082 0 40 FIAB COc1ccccc1-c1c(C(C)C)nn2c3c(nnc12)C(=O)CC(C)(C)C3 10156970 LDPPTTOKTULOLC-UHFFFAOYSA-N 364.449 4.078 0 40 FIAB O=C(COc1cccc2c1CCC2=O)Nc1ccc(Cl)c(Cl)c1 10197603 RHCBWPJYLVOUOA-UHFFFAOYSA-N 350.201 4.140 0 40 FIAB O=c1c2c(-c3ccc(F)cc3)ccnc2[nH]n1-c1nc2ccccc2s1 10338967 NTPQWXHQGQPJBK-UHFFFAOYSA-N 362.389 4.130 0 40 FIAB CC1CCN(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)CC1 10540301 OHBQPSAGHVWSEH-HEHNFIMWSA-N 352.478 4.058 0 40 FIAB COCCN1C(=O)c2ccccc2N[C@@H]1c1c(Cl)cccc1Cl 12522951 AXBXMAXMHRSOFJ-INIZCTEOSA-N 351.233 4.206 0 40 FIAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1F 12740252 IQUMHMMWFYUSCT-PSASIEDQSA-N 368.168 4.439 0 40 FIAB C[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1 13006922 MMIRSUQEBLEJFQ-CYBMUJFWSA-N 356.422 4.352 0 40 FIAB FC(F)(F)c1nnc2ccc(NCCC34CC5CC(CC(C5)C3)C4)nn12 14713041 BJFWOGUFEONMOI-UHFFFAOYSA-N 365.403 4.162 0 40 FIAB Cc1ccc(Nc2nc(=O)c(Cc3ccc(Cl)cc3)n[nH]2)cc1Cl 16777458 CKBINDSPRYBUMK-UHFFFAOYSA-N 361.232 4.115 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 18204475 LXCKEMLQCWJGNJ-QWHCGFSZSA-N 363.841 4.002 0 40 FIAB CC(=O)N1CCc2sccc2[C@H]1c1ccccc1NC(=O)C1CCCC1 19018137 LCCXZGQNFJXWMT-HXUWFJFHSA-N 368.502 4.371 0 40 FIAB Cc1cc(-c2nc3cc4c(cc3c(C)c2CC(=O)O)OCO4)c(C)s1 19413904 ZFICJJFFHYQEMZ-UHFFFAOYSA-N 355.415 4.244 0 40 FIAB COc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)c(OC)c1 19552230 OFICZOPWDDBHPQ-UHFFFAOYSA-N 363.461 4.027 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2cccc(Br)c2)cc1 20030213 GNCWKSQNQADVNZ-YKWSONSWSA-N 360.251 4.348 0 40 FIAB C/C=C/c1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(OC)c1 21559644 PTPZQZRUIMPWCF-DUMMIQTOSA-N 366.461 4.135 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)cc2c1C 22844562 YQJHMKJUYCOESB-DWQUBVKVSA-N 356.466 4.025 0 40 FIAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)C1=Cc2ccccc2CC1 23042616 RSDGKJFUCQCRBK-UHFFFAOYSA-N 359.413 4.014 0 40 FIAB NC(=O)c1ccc(CN(CCc2cccs2)Cc2cccs2)cc1 24177470 PVXPEHXKWPMNNF-UHFFFAOYSA-N 356.516 4.153 0 40 FIAB CC(C)[C@H](NC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 24334756 VEYPJXQAPSMKQJ-NRFANRHFSA-N 369.484 4.050 0 40 FIAB Cc1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c(Br)c1 29483254 CAANFQHZJYXZCG-SFHVURJKSA-N 373.294 4.315 0 40 FIAB Cc1cc(N)nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1 31617141 JBFSXGCJNGSUEF-UHFFFAOYSA-N 351.431 4.135 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)C[C@H]2C=CCC2)n1 32848543 VRDYAFQDFNFCLR-LBPRGKRZSA-N 359.426 4.202 0 40 FIAB CNC(=O)Nc1ccc(NC(=O)c2sc(-c3cccs3)nc2C)cc1 32903315 NSEBLXBWPLUSID-UHFFFAOYSA-N 372.475 4.184 0 40 FIAB O=C(Cn1cnc2ccccc21)Nc1ccc(-c2cn3ccsc3n2)cc1 38486250 HUGHTLZJRZUWFZ-UHFFFAOYSA-N 373.441 4.051 0 40 FIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)CCc3ccco3)cn2)c1 40112445 QNJROYAJEBOEQO-UHFFFAOYSA-N 350.418 4.333 0 40 FIAB O=C(O)c1cn(-c2ccc(F)cc2)c2c1N=C(O)C[C@@H]2c1cccs1 40283801 QIIKOVZPEKLSFI-GFCCVEGCSA-N 356.378 4.500 0 40 FIAB O=C(CCn1ccc2c(Br)cccc21)N1CCc2ccccc21 40285832 QBOHLUWWQTVFLY-UHFFFAOYSA-N 369.262 4.383 0 40 FIAB CC1=NN(c2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2)CC1 42397707 YIBBWFRCOLMLSG-GOSISDBHSA-N 351.475 4.240 0 40 FIAB Cc1nc2ccc(NCC(=O)Nc3ccc(N4CCCC4)cc3)cc2s1 45873903 KBHIHFNOVNPGDP-UHFFFAOYSA-N 366.490 4.256 0 40 FIAB Cc1cc(C)n(CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)n1 46370555 OLBZMTNIPYJYBI-FQEVSTJZSA-N 353.853 4.059 0 40 FIAB Cc1ccc(CN(C)C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 48333730 JDBGPZQJNZLAMM-UHFFFAOYSA-N 354.397 4.160 0 40 FIAB O=C(c1cc(-c2ccccc2Cl)on1)N(Cc1cccnc1)C1CC1 54513947 XHQJDMXXIFVAEH-UHFFFAOYSA-N 353.809 4.195 0 40 FIAB COc1cccc(CNC2CCN(Cc3ccc(Cl)cc3)CC2)c1OC 57995767 LWZMSXFVIDBKMA-UHFFFAOYSA-N 374.912 4.111 0 40 FIAB CCN(C(=O)N[C@H](C(=O)N1CCC(C)CC1)c1ccccc1)[C@@H](C)C(C)C 58174924 JMYOZXKNWUJAEO-ICSRJNTNSA-N 373.541 4.062 0 40 FIAB COc1ccccc1C1(C(=O)NCCc2ccc(OC(C)C)cc2)CCC1 58323500 SROWIBSORNVECH-UHFFFAOYSA-N 367.489 4.263 0 40 FIAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)Cc3ccccc3)C2(C)C)no1 67889845 NZXDYRKVWONBGN-XLIONFOSSA-N 354.494 4.333 0 40 FIAB biogenic,in-vitro Cc1nc(S[C@@H]2CCCCNC2=O)c2cc(-c3ccccc3)sc2n1 69455238 YRHLXAFNTVYZIF-OAHLLOKOSA-N 369.515 4.428 0 40 FIAB CCN1C[C@@H](CN(C)Cc2coc(-c3cccs3)n2)Oc2ccccc21 69897124 RNWNEMDHLVLPFJ-MRXNPFEDSA-N 369.490 4.122 0 40 FIAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC2CCCC2)C12CCCC2 71282043 MNXVYNMKHLCOQQ-OXJNMPFZSA-N 368.521 4.396 0 40 FIAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)N1CCSCC1 71283149 SEBKSTFDQKCGOI-CQSZACIVSA-N 374.333 4.081 0 40 FIAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccncc2)s1 71326577 YTJLSHNDHPFMJM-UHFFFAOYSA-N 352.463 4.083 0 40 FIAB O=C(Cc1cn2ccccc2n1)N(Cc1ccc(F)cc1)C1CCCCC1 71794491 LILXVYZYAOYOOW-UHFFFAOYSA-N 365.452 4.377 0 40 FIAB Cc1noc(C)c1CN1CCC2(CC1)C[C@H]2c1nnc(-c2ccccc2)o1 71889674 VQQVUDUMMKVJLB-SFHVURJKSA-N 364.449 4.111 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2)cc1Cl 72329313 RQKMHZCPRHBHLR-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 72376791 ODSMFJHDERCLLA-IBGZPJMESA-N 358.445 4.093 0 40 FIAB C[C@@](O)(CNC(=O)NCc1cccs1)c1ccc(-c2ccccc2)cc1 75155402 QVYSHSFAWJPTHO-OAQYLSRUSA-N 366.486 4.122 0 40 FIAB O=C(NCC[C@@H](O)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 77114249 PXUYXHDPHZZUBX-MRXNPFEDSA-N 363.910 4.453 0 40 FIAB CC(C)COc1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)cc1 79056473 ZXJIBWUHQSCSQT-UXHICEINSA-N 357.494 4.014 0 40 FIAB Cc1cc(C)nc(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)n1 95482000 VSFMTJKDHRIQHU-LJQANCHMSA-N 363.486 4.243 0 40 FIAB Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2OC(F)F)cc1CO 97105237 GRWTTWZJXHKUAM-UHFFFAOYSA-N 355.768 4.303 0 40 FIAB O=C(CCc1ccccc1Cl)Nc1cnc(-c2cccc(O)c2)nc1 110788443 KCFZTUQRUIHVDR-UHFFFAOYSA-N 353.809 4.074 0 40 FIAB CC1(C)C[C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2O1 178040289 NZYLRRMKDYDQCN-LJQANCHMSA-N 365.473 4.153 0 40 FIAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC)N21 222659550 HAARGAYJLMNQEX-MORSLUCNSA-N 369.490 4.078 0 40 FIAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(F)cc1 223731185 ACJJKNZGADTHSN-UHFFFAOYSA-N 371.433 4.439 0 40 FIAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 223875592 GWBUPDKJVRJWOK-CVVHJZTLSA-N 374.440 4.318 0 40 FIAB Fc1ccc(NC(=S)NCc2cccc(CN3CCCCC3)c2)cc1 224703835 ZEUGJXKBJBGGCI-UHFFFAOYSA-N 357.498 4.298 0 40 FIAB COc1ccc(Cl)cc1C[C@H](Oc1ccc(Cl)c(C)c1)C(=O)O 225120572 TWJQVSUJZIUSQR-INIZCTEOSA-N 355.217 4.385 0 40 FIAB Cc1cccc(CSCCNC(=S)Nc2ccc(F)c(F)c2)c1 225338063 VFDQWWIENHLYHA-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225387960 VKZQNTVILAFAHF-HZPDHXFCSA-N 353.462 4.219 0 40 FIAB CCOc1ccccc1NC(=S)NCc1ccccc1-n1ccnc1C 225449187 RNLFJLWOZVSZJS-UHFFFAOYSA-N 366.490 4.066 0 40 FIAB CCSc1nnc(NC(=O)/C(=C/c2ccco2)c2ccccc2)s1 225838860 JEWGFSFLPBVQHD-SDNWHVSQSA-N 357.460 4.422 0 40 FIAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1sccc1C)CC2 253599069 KPKYAKWTGAVQHA-SFHVURJKSA-N 374.550 4.010 0 40 FIAB CCCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)NC1=S 409092398 VLQCKAICCQXBKR-AQTBWJFISA-N 366.486 4.042 0 40 FIAB Cc1c(F)cccc1-c1ccc(CN2CCN(Cc3cscn3)CC2)o1 511507226 KQAIJYQNFBKGRJ-UHFFFAOYSA-N 371.481 4.168 0 40 FIAB COc1cc(N2CCOC(C)(C)C2)ccc1N[C@H](C)c1cc(C)ccn1 585081885 UUYZXUZGVLIRTA-MRXNPFEDSA-N 355.482 4.187 0 40 FIAB CN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2)n(-c2ccccc2)n1 618107667 SRVDHHFEZRLREW-UHFFFAOYSA-N 359.351 4.174 0 40 FIAB COc1cccc(C2CCN(Cc3cc(C(=O)O)ccc3Cl)CC2)c1 652403767 KCLMWQHCEBLKCX-UHFFFAOYSA-N 359.853 4.426 0 40 FIAB O=C(c1cccc(Nc2ccccc2)c1)N1CCC[C@H](C2CCNCC2)C1 662594574 KHQPMKPJOBHRTF-FQEVSTJZSA-N 363.505 4.282 0 40 FIAB CNc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)c(Cl)c1 1137008568 BUNZJJSXTFFXPV-ZDUSSCGKSA-N 354.841 4.058 0 40 FIAB CCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1C 724328 JQSKYOJISVLGQU-UHFFFAOYSA-N 353.447 4.416 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2Cl)cc1 860530 IIJPEKIOKZREMW-MRXNPFEDSA-N 353.896 4.085 0 40 FIAB CCC(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O 987028 YOCKEDVCQYCAGK-AWEZNQCLSA-N 351.450 4.035 0 40 FIAB Cc1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3)sc2c1 1413814 BYLBCYTZXXSQCV-UHFFFAOYSA-N 361.879 4.385 0 40 FIAB Cc1cccc(C)c1NC(=O)NC/C(Br)=C/Br 1673966 ZPZSTIFMKDLCKK-POHAHGRESA-N 362.065 4.056 0 40 FIAB CC(C)c1nc2sc3c(NCCCO)ncnc3c2c2c1CCCC2 1831380 WLIUXDAXKUOKMK-UHFFFAOYSA-N 356.495 4.036 0 40 FIAB O=S(=O)(c1ccccc1)c1nc(Nc2ccccc2)sc1Cl 2686612 OUEVPEGJNHBLOI-UHFFFAOYSA-N 350.852 4.373 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)OC(=O)Cc2coc3cc(C)ccc23)cc1 3279469 JTNLOCZTCDVJTH-HNNXBMFYSA-N 351.402 4.163 0 40 FIAB C[C@H](NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 3402127 CFXVBCVXZBYMCZ-KRWDZBQOSA-N 359.425 4.388 0 40 FIAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 4700323 MUWBOUKNKGJVFJ-AWEZNQCLSA-N 369.336 4.464 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 5111718 DEMZVIYKGMGJQW-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB CC(C)On1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 5554232 ZDTAVKQHXCKSTL-UHFFFAOYSA-N 360.866 4.179 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(C)c3)n2)cc1 5867450 NWNZZSSFOUYQPL-AWEZNQCLSA-N 352.463 4.208 0 40 FIAB COc1ccc(NC(=S)N(C[C@@H]2CC=CCC2)C[C@H]2CCCO2)cc1 6181774 JRMNNAIPYUHFSF-VQIMIIECSA-N 360.523 4.229 0 40 FIAB O=C(NCc1cccnc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 6604617 XFBQPPDKCVRZPP-UHFFFAOYSA-N 374.469 4.180 0 40 FIAB C[C@H](Nc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(C(N)=O)cc1 7225248 RBXVOSPXXDELEM-ZDUSSCGKSA-N 373.412 4.124 0 40 FIAB CC(C)c1ccc(-n2nnnc2SCc2nc3ccccc3o2)cc1 7691170 RUZLKZYKTWHOEE-UHFFFAOYSA-N 351.435 4.219 0 40 FIAB Cc1ccc(SCC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 7780660 LSGPGQCRRWAKJD-UHFFFAOYSA-N 367.474 4.104 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 8041166 NNVHZXNIKBCAER-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB O=S(=O)(N[C@H](c1ccc(F)cc1)c1cccs1)c1cccs1 8777092 KXAYGOXDRJTFTH-OAHLLOKOSA-N 353.465 4.017 0 40 FIAB COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C 9232143 IIJZWJORSSZRFZ-UHFFFAOYSA-N 368.216 4.140 0 40 FIAB Cc1ccc2nc(Nc3nc(-c4ccccc4C)cc(=O)[nH]3)nc(C)c2c1 10157410 KGIPBCXDCOFVRV-UHFFFAOYSA-N 357.417 4.049 0 40 FIAB CC(C)Oc1cccc(NC(=O)COc2ccc(Br)cc2)c1 10715447 FWTDNOSDABJVAM-UHFFFAOYSA-N 364.239 4.254 0 40 FIAB COc1ccccc1Oc1ccc2nnc(-c3ccccc3Cl)n2n1 12409870 BKJNVPHYCGVKME-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB O=C(Cc1ccc2ccccc2c1)N[C@H](Cc1ncc[nH]1)c1ccccc1 12538618 KHUZMGFEKCLQFW-OAQYLSRUSA-N 355.441 4.206 0 40 FIAB C[C@@H](SCC(=O)NC1C2CC3CC(C2)CC1C3)c1nc2ccccc2[nH]1 12547678 WGZPRSSYSRVSFK-CSLWFGFPSA-N 369.534 4.298 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1F 12558899 OVLDYLSDPWGNAV-CQSZACIVSA-N 359.420 4.394 0 40 FIAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CCCOc2ccccc2)C1=O 12568558 KJHXZEQBTRIWTH-HSZRJFAPSA-N 374.440 4.076 0 40 FIAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)C)cc(C)c1Cl 13684210 IWCXMWOEYAYRCJ-UHFFFAOYSA-N 374.868 4.113 0 40 FIAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)c1c[nH]c2ccccc12 14018400 ZHXPDINTESMYJQ-LLVKDONJSA-N 368.487 4.388 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 15935922 FCDUSAAYUYBVER-HNNXBMFYSA-N 355.413 4.017 0 40 FIAB O=C(CCSc1ccccc1F)Nc1ccccc1N1CCCC1=O 16106135 SUKIANBWURPEER-UHFFFAOYSA-N 358.438 4.073 0 40 FIAB CC(=O)O[C@@H](CN1CCCCC1)Cn1c2ccccc2c2ccccc21 16839764 TWSPREIBPMBEHY-SFHVURJKSA-N 350.462 4.212 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 16966143 WLVLUFZZKODENU-UHFFFAOYSA-N 356.425 4.498 0 40 FIAB CC[C@@H](NC(=O)c1oc2cc(OC)ccc2c1C)c1c(C)nn(CC)c1C 19500419 ALYZHCXSFOKWHX-QGZVFWFLSA-N 369.465 4.464 0 40 FIAB COC[C@H](C)N(Cc1ccccc1F)C(=O)c1cc(C)c2ccccc2n1 19660810 ZZESKHLOVOBKAO-INIZCTEOSA-N 366.436 4.360 0 40 FIAB CC(C)n1cc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3C)c2ccc(F)cc21 19713831 ILTPHUUTLKJLDJ-VQTJNVASSA-N 371.500 4.337 0 40 FIAB CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(OC)cc1 20047089 AIQVNMWPILSJKF-LJQANCHMSA-N 359.491 4.205 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 20458119 IRACGGAFPPVPEU-AWEZNQCLSA-N 374.868 4.132 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 20490295 ICKHUGQHUXWGSN-SFHVURJKSA-N 363.413 4.407 0 40 FIAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccccc1 21787207 YRCHHZQPAAUKOR-HXUWFJFHSA-N 363.461 4.189 0 40 FIAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 22518503 OQFABMQSKVXBRZ-HNNXBMFYSA-N 361.869 4.391 0 40 FIAB CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2ccccc2s1 23042095 FEWXCQSKQCTTNE-UHFFFAOYSA-N 350.399 4.069 0 40 FIAB O=C(NCC1CCN(Cc2cccs2)CC1)c1c(F)cccc1Cl 23128061 SSZNDYMGLVJKHH-UHFFFAOYSA-N 366.889 4.183 0 40 FIAB Cc1ccc(-n2ncc3c(C)nnc(SCc4cccnc4)c32)cc1C 23137767 XGWWBSAVCNYKPF-UHFFFAOYSA-N 361.474 4.428 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCCc1csc(-c2ccccc2)n1 27992583 RKYFTVNKHYJQPN-UHFFFAOYSA-N 356.878 4.365 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccccc1Br 28228834 GSWCIMQSOUCBNE-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(Cl)c(Cl)c1 32594787 OKESGRIODSSGOV-UHFFFAOYSA-N 353.230 4.009 0 40 FIAB Cc1cccc(Nc2c(-c3ccc(C(=O)O)cc3)nc3cnccn23)c1C 35622643 RSMVUPAUJCORKK-UHFFFAOYSA-N 358.401 4.455 0 40 FIAB COc1ccc(-c2nnc(SCCOc3c(C)cccc3C)n2C)cc1 36852433 QDRZGJFIRUWXJI-UHFFFAOYSA-N 369.490 4.279 0 40 FIAB CCNC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 40145550 VBLUTIFQNJZMRL-UHFFFAOYSA-N 374.440 4.268 0 40 FIAB Cc1ccc(-c2ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1C 44319100 YYZHCJCBVQQBDD-LJQANCHMSA-N 369.461 4.491 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Br)cc1 44846778 OKRGLWFUBIEZCN-MRXNPFEDSA-N 364.239 4.254 0 40 FIAB Fc1cc(Br)ccc1-c1nn2c(-c3ccco3)nnc2s1 44921731 XESUHQNUQAMXBL-UHFFFAOYSA-N 365.187 4.014 0 40 FIAB COc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2CCC(C)C)cc1 49466905 GNZCLLYZCXYADJ-UXHICEINSA-N 367.445 4.107 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1)NC1CC1 55448623 RCIAORSHCGOGKI-CABCVRRESA-N 369.387 4.278 0 40 FIAB COc1cc(NC(=O)N[C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC 58160989 PEFFXSJBARLOFG-LLVKDONJSA-N 364.829 4.249 0 40 FIAB COc1ccc(-c2nsc3c2NC(=O)C[C@@H]3c2cccc(F)c2)cc1 66089828 UAHIDJBAXQSQDO-OAHLLOKOSA-N 354.406 4.432 0 40 FIAB C/C(=C\c1ccccc1)CN1CCC[C@@H]1c1nc(O)cc(-c2ccccn2)n1 72389810 LIVPUYOADSSTIX-PVGBUVFQSA-N 372.472 4.485 0 40 FIAB CN(C)Cc1cc(CNC(=O)c2cccc(Cl)c2Cl)ccc1F 78735022 ZACBGEPLDIGNHA-UHFFFAOYSA-N 355.240 4.124 0 40 FIAB O=C(c1c[nH]c2ccccc12)N1CCC(CSc2ccccn2)CC1 85557570 ZXEAHPOHWVOSJN-UHFFFAOYSA-N 351.475 4.207 0 40 FIAB CS(=O)(=O)c1ccc([C@@H](O)CSCc2cccc3ccccc23)cc1 95957052 XSMYYBWISDVXCR-FQEVSTJZSA-N 372.511 4.210 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)c1 100587132 SQFMEERCXXJMLF-XOBRGWDASA-N 368.506 4.086 0 40 FIAB CCN1C(=O)[C@@H](Cc2ccc(N(C)C)cc2)c2cc(Br)ccc21 101014583 ZZWSCRXFIZACBO-KRWDZBQOSA-N 373.294 4.208 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccccc1OC 102733211 WDTOYXZONQWSNJ-VLIAUNLRSA-N 370.474 4.028 0 40 FIAB Cc1[nH]c2ccc(Br)cc2c1Cc1nc(-c2ccccn2)no1 109498321 JMGNCAXQBKUGHB-UHFFFAOYSA-N 369.222 4.275 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1ccccc1 211960847 JMNZRTMOUKAREC-XNTDXEJSSA-N 372.833 4.015 0 40 FIAB O=C(O)c1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 216922110 JZJCRWYWQHYLRP-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB CCc1ccc(OCC(=O)NC(C(C)C)C(C)C)c(Br)c1 218860644 IMYQKYUKUMUVDD-UHFFFAOYSA-N 356.304 4.187 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1F 222702965 MFNBMOBFKBTCPY-UHFFFAOYSA-N 374.481 4.228 0 40 FIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222904478 NMIWFUZGFLUWBE-CABCVRRESA-N 351.928 4.425 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C 223092322 QANXSSDXYKDYPK-PMACEKPBSA-N 368.550 4.342 0 40 FIAB COc1ccc(OCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223262018 KKORBSSSYSEMIN-INIZCTEOSA-N 371.477 4.392 0 40 FIAB COc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c(C)c1 224255116 BRJJTDQVUHMFNJ-UHFFFAOYSA-N 374.289 4.097 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053725 DOTPCDTVVDJVGK-MRXNPFEDSA-N 370.474 4.013 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 225265594 LJGZBLNOCKQDQC-GFCCVEGCSA-N 351.497 4.061 0 40 FIAB O=C(Cc1ccccc1F)Nc1ccccc1C(=O)N1CCCCCC1 225447522 KABGVRHUGOSAJY-UHFFFAOYSA-N 354.425 4.023 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225621156 CTTYDRJLIALUND-UGSOOPFHSA-N 357.878 4.288 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCc1cccnc1-c1ccco1 225662578 QKWAMVWJIKSOPT-UHFFFAOYSA-N 357.797 4.325 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 226268316 XDWFQOIGBLFDKC-UHFFFAOYSA-N 353.466 4.300 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)cc1N 226347532 IERKETYRHODQPS-UHFFFAOYSA-N 371.234 4.445 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC(C)C)cc4)OCC[C@@]31C2 257260993 LFIVEUPXHUQZEI-JJYSZZJESA-N 371.521 4.492 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@@H]1c1ccnc(-c2ccc(C(=O)O)cc2)c1 257264018 LSMKPOJNARMXJF-GOSISDBHSA-N 352.434 4.156 0 40 FIAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257282282 OTDCYICAKMTMPW-KRWDZBQOSA-N 369.396 4.068 0 40 FIAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1cccs1 408713349 UTUTXVKNNFKMNJ-UHFFFAOYSA-N 356.472 4.451 0 40 FIAB O=C1OC(Cc2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccco1 408839021 LSDASAQPUUVRMG-SAPNQHFASA-N 373.364 4.038 0 40 FIAB CCOC(=O)N[C@H](CC(=O)Nc1cccc(C)c1Cl)c1ccccc1 408976413 ATGQUTHMHWJRQC-MRXNPFEDSA-N 360.841 4.464 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NCc3nc(C4CC4)n[nH]3)c(F)c2)cc1C 514777231 HMZFQIUNCSHLBU-UHFFFAOYSA-N 364.424 4.035 0 40 FIAB CC(C)CCN1CCC[C@@]2(CCCN2C(=O)c2cc(C(C)C)on2)CC1 585100605 PJIDYGFFQPGGOZ-OAQYLSRUSA-N 361.530 4.305 0 40 FIAB C[C@H]1CN(C(=O)c2cccnc2C(F)(F)F)CCc2ccc(F)cc21 650906097 AQXPJQTYMNLMLS-NSHDSACASA-N 352.331 4.042 0 40 FIAB Cc1ccc(CN2CCCC[C@@H]2C2CCN(C(=O)OCCF)CC2)cc1 2056226676 XRXCGFDSDLZZSQ-HXUWFJFHSA-N 362.489 4.168 0 40 FIAB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1ccc(Br)o1 709982 QKMYGKFZHQMVMW-GFCCVEGCSA-N 355.228 4.186 0 40 FIAB CCc1cc(I)ccc1NC(=O)c1cccc(F)c1 725030 QYMRJSDEDBTYLU-UHFFFAOYSA-N 369.177 4.245 0 40 FIAB O=C(NC(=S)NC(c1ccccc1)c1ccccc1)C1CCCCC1 950464 WBIKIVVFOJGWIY-UHFFFAOYSA-N 352.503 4.347 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1 1516584 SCLKPQRAWXKOOA-UHFFFAOYSA-N 360.413 4.471 0 40 FIAB CCCCCCc1cc(C(=O)Cc2ccc(C(=O)OC)o2)c(O)cc1O 1806965 CERHMJUJCRDRTE-UHFFFAOYSA-N 360.406 4.026 0 40 FIAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 2062872 YBQGFWAGUNKGCS-UHFFFAOYSA-N 357.450 4.352 0 40 FIAB CCCCc1ccc(-n2nc3ccc(NC(=O)c4cccnc4)cc3n2)cc1 2314393 RNEGQENTRJALBL-UHFFFAOYSA-N 371.444 4.410 0 40 FIAB O[C@H](c1ccc(Br)cc1)[C@H](CN1CCCC1)c1ccccc1 2333332 PKEBDCQVVWGBKG-RTBURBONSA-N 360.295 4.362 0 40 FIAB C[C@@H]1CCCc2sc3ncn4nc(-c5ccccc5C(=O)O)nc4c3c21 2357958 AUYIPEHCJGVVBT-SNVBAGLBSA-N 364.430 4.144 0 40 FIAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc2ncsc2c1 2641650 DOBXVBFEASLPSW-UHFFFAOYSA-N 362.823 4.314 0 40 FIAB CCN(CC)c1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1 3274973 ZXMHHRQEZBEVGJ-UHFFFAOYSA-N 351.855 4.287 0 40 FIAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3F)n2N)cc1 3285437 QWHCIAQTYAZITL-UHFFFAOYSA-N 356.470 4.388 0 40 FIAB Cc1cccc(NC(=O)Nc2cccc(I)c2)c1 3327938 KYTZTSGVXUMRRL-UHFFFAOYSA-N 352.175 4.244 0 40 FIAB COc1ccc(Cl)cc1N[C@@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 3343898 LUBBGBDZKVUTNB-VIFPVBQESA-N 363.870 4.437 0 40 FIAB Fc1ccc([C@H]2c3[nH]cnc3CCN2C(=S)Nc2cccc(F)c2)cc1 4033730 FAXHLROXTCWPTN-SFHVURJKSA-N 370.428 4.032 0 40 FIAB COCc1cc(C)nc2sc([C@H](C)O)c(NC(=O)c3ccccc3)c12 4709471 QSJAUHSMMQPKTL-LBPRGKRZSA-N 356.447 4.057 0 40 FIAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3Cl)=NN12 4863054 VTJAYVRBDLHSKT-IBGZPJMESA-N 367.880 4.305 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1F)S[C@H](C)C(=O)N2 6678883 TYSOTWSOYUJADZ-ACJLOTCBSA-N 367.449 4.483 0 40 FIAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 6965139 DEEOLDNBUBFJNL-WOJGMQOQSA-N 364.426 4.193 0 40 FIAB Cc1cccc(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)c1 7109563 SVORSYROLXKHBY-UHFFFAOYSA-N 359.476 4.234 0 40 FIAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 7310263 XDBJWAFEBCUHJX-NXEZZACHSA-N 355.809 4.025 0 40 FIAB COc1ccc(CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1OC 7405046 ZCHQGBIGAJJNJU-MRXNPFEDSA-N 355.478 4.322 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)cc1C(C)C 7428386 BLCOJXMALGQJJN-UHFFFAOYSA-N 368.886 4.366 0 40 FIAB O=C(c1cc(F)cc(F)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7670523 UHBCFNPRNPFPFF-HNNXBMFYSA-N 374.412 4.400 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 8055946 ZVZFGRKGZDBWHS-LBPRGKRZSA-N 373.815 4.339 0 40 FIAB Cc1ccc(C(=O)CCC(=O)OCc2ncc(-c3ccccc3)o2)s1 8409076 NKMXHBGLHINONI-UHFFFAOYSA-N 355.415 4.418 0 40 FIAB Cc1[nH]c(S[C@H](C)C(=O)N(C)c2ccccc2)nc1Cc1ccccc1 8725170 XGUSAYMGFDLDLO-MRXNPFEDSA-N 365.502 4.453 0 40 FIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1F 9196621 NCLCVTPCOPIIFP-UHFFFAOYSA-N 359.788 4.491 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(C(=O)NCc3cccs3)cs2)cc1 9317800 GDRKVYIBUYZYBU-UHFFFAOYSA-N 372.475 4.087 0 40 FIAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccccc1Br 10339644 PFLXRHJFZSULIN-KRWDZBQOSA-N 359.267 4.225 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCCCCC2)cc1 11915579 LNEWDIHYJHALCO-NRFANRHFSA-N 370.468 4.181 0 40 FIAB biogenic CC(C)(C)[C@@H]1CCc2noc(C3CCN(C(=O)c4cccnc4)CC3)c2C1 12119738 YZIZOAGOJCRVTR-QGZVFWFLSA-N 367.493 4.240 0 40 FIAB CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)cn1 12188248 YJUSCEHHILCLHG-SFHVURJKSA-N 374.488 4.342 0 40 FIAB CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc12)CN(C1CC1)C(=O)O3 12219887 XQCBMZXSJROKQD-UHFFFAOYSA-N 362.433 4.195 0 40 FIAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(Cc2ccccc2)c1C 12372574 VFAHTILHJAJQLG-UHFFFAOYSA-N 374.893 4.222 0 40 FIAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)on1 12422323 YTIFWQSSCRKJHY-UHFFFAOYSA-N 357.366 4.172 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1Cc1ccccc1 12591189 AOSCZORUYLDQOA-HDICACEKSA-N 365.473 4.224 0 40 FIAB CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 12601341 PBMVZPWXTCHPEO-KRWDZBQOSA-N 372.424 4.034 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12727921 DNWJMWAGFNNGRU-INIZCTEOSA-N 374.506 4.023 0 40 FIAB CSc1cccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 12793457 URAGTKKFZFPMSS-UHFFFAOYSA-N 370.503 4.277 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccc2c(c1)OCCO2 12819076 NJWJKFIPWYHPQY-GOSISDBHSA-N 362.376 4.255 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NC[C@H](c4ccco4)N(C)C)c23)C1 12856387 FXFXNZBMQSIEAG-GXTWGEPZSA-N 356.495 4.124 0 40 FIAB CCCn1c(=O)n(CCC(=O)Nc2c(C)cccc2CC)c2ccccc21 12895024 ZQWQTLYGQDOFQD-UHFFFAOYSA-N 365.477 4.113 0 40 FIAB CCn1c(SCCOC)nc2sc(-c3ccccc3)c(C)c2c1=O 13010532 FTGMHVJOJJPMQR-UHFFFAOYSA-N 360.504 4.192 0 40 FIAB O=C1C[C@@]2(CC[C@@H]3[C@@H](C(=O)NC4CCCCC4)[C@@H]32)Oc2ccc(Cl)cc21 13266581 FRMVBKFGVPOUJI-AZVUBCEASA-N 373.880 4.149 0 40 FIAB CC(=O)Nc1nc2ccc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2s1 13721573 KTJDPJCBBLAJSN-XOBRGWDASA-N 371.506 4.296 0 40 FIAB CC(=O)N1CCC(Nc2ncnc3scc(-c4ccc(C)cc4)c23)CC1 14020253 QDUKSZQLLITEER-UHFFFAOYSA-N 366.490 4.090 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)c1cncc(Br)c1 14084752 FGQQUSLDTHVLRJ-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB CC(C)c1n[nH]c(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)n1 14170373 CLOXYTCVBKNPFC-UHFFFAOYSA-N 369.372 4.289 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1 14573130 RNYGNABNDAGELA-UHFFFAOYSA-N 360.413 4.481 0 40 FIAB CS(=O)(=O)c1cccc(C(=O)Oc2ccc(C3CCCCC3)cc2)c1 14602382 FXLQFHCLVWIANU-UHFFFAOYSA-N 358.459 4.357 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)cs2)cc1 15832528 WVKOWGJMMYUXMC-CQSZACIVSA-N 370.449 4.341 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@@H](c3cc4ncccc4[nH]3)C1)n2C 19221202 RORYEBZZGADEFZ-MRXNPFEDSA-N 372.472 4.383 0 40 FIAB O=C(NCc1nnc(-c2cccs2)o1)C1(c2ccccc2F)CCCC1 19347904 DYJINKSRXMBCTD-UHFFFAOYSA-N 371.437 4.065 0 40 FIAB Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)CCc1ccc(F)cc1 19561095 AUZLKNBOJCAVND-CYBMUJFWSA-N 369.465 4.404 0 40 FIAB O=C(CCCc1cn(CN2CCCCC2)c2ccccc12)N1CCCCC1 20649597 LMANFMIDZMPYFE-UHFFFAOYSA-N 367.537 4.420 0 40 FIAB OC1=Nc2n[nH]cc2[C@H](c2cccc(OCc3ccccc3)c2)SC1 20745960 WQCZZVKBFLWTGG-SFHVURJKSA-N 351.431 4.413 0 40 FIAB Cc1cc(NC(=O)c2ccccc2F)cc(-c2nc3ncccc3o2)c1O 20974279 LPGBXDXJNMGWNJ-UHFFFAOYSA-N 363.348 4.295 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3cccnc3Oc3ccccc3)ccc21 21039691 CFJVSPDBHJCBIP-UHFFFAOYSA-N 373.412 4.035 0 40 FIAB COc1ccc([C@@H](Nc2nc3ccccc3s2)c2nccn2C)cc1 22015761 GCJYSYQKFAIFDE-QGZVFWFLSA-N 350.447 4.240 0 40 FIAB CC(C)c1cc(C(=O)Nc2nnc(C3CC3)s2)c2cnn(C(C)C)c2n1 25126866 WARQAODHEZIQOP-UHFFFAOYSA-N 370.482 4.117 0 40 FIAB O=c1oc(-c2ccc(F)cc2)nn1CCOc1c(Cl)cccc1Cl 26481380 PNNUPHYBNUXFQJ-UHFFFAOYSA-N 369.179 4.028 0 40 FIAB Cc1ccc(C)c(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2cnn3C)c1 27666466 ORQFJAMIKSSKNH-GASCZTMLSA-N 364.497 4.206 0 40 FIAB CCCOc1ccc(S(=O)(=O)Nc2cccc(C)n2)c2ccccc12 28251824 BRLNDVJJGAFCRU-UHFFFAOYSA-N 356.447 4.133 0 40 FIAB C[S@](=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1 31097808 AHALEYVISKOBJX-RUZDIDTESA-N 356.491 4.057 0 40 FIAB O=C(COc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 31811658 MCITYFDFXVDDJN-UHFFFAOYSA-N 369.852 4.001 0 40 FIAB Cc1cccc(-c2nc(CSc3nnc(-c4cccs4)o3)no2)c1 32325647 KYXDIZYTWKBMJD-UHFFFAOYSA-N 356.432 4.449 0 40 FIAB Cc1noc(-c2ccc(C(=O)O[C@H](c3ccccc3)c3ccccn3)cc2)n1 32764592 GVNQKLUZPJPHGG-HXUWFJFHSA-N 371.396 4.386 0 40 FIAB Cn1ncc2c(C(=O)Nc3cc(F)ccc3F)cc(-c3ccccc3)nc21 36616018 PVCSMXUBGLHVHQ-UHFFFAOYSA-N 364.355 4.166 0 40 FIAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(Cl)c(Cl)c2)C1=O 36635507 PBDDBDJVSGFXLD-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)s1 39998596 JARNHUUBDSGUQM-GFCCVEGCSA-N 365.524 4.488 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)c(C)s1 40074239 IYIRKOBKIUVYLH-BEFAXECRSA-N 372.534 4.305 0 40 FIAB C[C@H](OC(=O)/C=C/c1nccs1)C(=O)Nc1cccc(Cl)c1Cl 40151867 YLJBDKMRJNHSII-CYNONHLPSA-N 371.245 4.034 0 40 FIAB CC(=O)[C@@H](C)OC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 40161946 CXDHNGVXWGNHOU-QGZVFWFLSA-N 362.429 4.041 0 40 FIAB Cc1cc(-c2ccc(/C=C/C(=O)O)o2)cc(C)c1I 45888760 RKOSYAKNZRWMAO-GQCTYLIASA-N 368.170 4.266 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)no2)cc1OC 46086356 DMKLZZNTFPMBEU-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccccc1-n1cccn1 48149828 DPFWARFDTPCYAL-HNNXBMFYSA-N 350.422 4.106 0 40 FIAB O=C(Nc1ccnn1C1CCCC1)c1cc(F)ccc1Br 58297656 LEOTVDFAROTSMU-UHFFFAOYSA-N 352.207 4.152 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)C12CCCCC2 70666420 NRXMVVMJVIIWPB-IBGZPJMESA-N 356.510 4.110 0 40 FIAB biogenic CCCCOc1ccc(C(=O)c2cc3cccc(OC)c3oc2=O)cc1 71289407 ZZQPTTWNLACPJG-UHFFFAOYSA-N 352.386 4.212 0 40 FIAB O=C(Nc1ncc(-c2cccnc2)s1)c1ncoc1-c1ccc(F)cc1 72346360 LEYYYQZFIZYZOV-UHFFFAOYSA-N 366.377 4.252 0 40 FIAB CCOC(=O)c1cccc(N(CC)C(=O)c2coc(-c3ccccc3)n2)c1 78082778 MKMOTFOZKARYNR-UHFFFAOYSA-N 364.401 4.185 0 40 FIAB CCOc1ccc(Cl)c(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)n1 84807854 RRCPLYFVNLCUOL-LBPRGKRZSA-N 369.852 4.375 0 40 FIAB COc1ccc(CNC(=O)c2cccc3c2ccn3C(C)C)cc1OC 85876337 XYDBQWFWZZGVOS-UHFFFAOYSA-N 352.434 4.169 0 40 FIAB biogenic CCOc1ncccc1C(=O)Nc1nc(C(C)(C)C)cc(C(C)(C)C)n1 89988796 CUCHIJXTAYSKNV-UHFFFAOYSA-N 356.470 4.118 0 40 FIAB COc1ccc(Nc2ccccc2C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)cc1 95983689 GFHBNQLGUCNSRK-LAUBAEHRSA-N 368.477 4.372 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccsc2)S1 96116800 HZCRSKNVMRHBDP-JSGCOSHPSA-N 363.508 4.254 0 40 FIAB C[C@@H]1ON=C(c2ccccc2Cl)[C@H]1C(=O)NCc1ccc(Cl)cc1 100262493 NSECQABYXXMANU-ZBEGNZNMSA-N 363.244 4.049 0 40 FIAB Cc1ccc2c(c1)s/c(=N/C(=O)c1cccc(Br)c1)n2C 100812006 PZSSNRPXVIDDCW-FBMGVBCBSA-N 361.264 4.052 0 40 FIAB Cc1ccc(C2=C[C@H](c3c(Cl)cccc3Cl)n3nnnc3N2)cc1 101100294 YTRPCSPSSGWVFF-OAHLLOKOSA-N 358.232 4.344 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@@]3(C)CC[C@H]2C3(C)C)n1 103395106 ODDLHDZMUSKLGX-IQMDTDKHSA-N 358.554 4.110 0 40 FIAB COc1cccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)c1OC 206670623 AMTJGPGZXGUISG-MRXNPFEDSA-N 357.425 4.253 0 40 FIAB CCOC(=O)c1cc(NC(=O)CCCOc2ccccc2)ccc1Cl 216350425 YWAAQBKYJNXOCA-UHFFFAOYSA-N 361.825 4.314 0 40 FIAB Cc1ccc(CSCCNC(=O)CSCc2ccccc2F)cc1 222698970 KYWCIQWCIFJGGF-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1C 222743699 OAIRESNZVIQWCX-INIZCTEOSA-N 367.898 4.395 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 222794604 AZFJQYHAAHZOGV-RTBURBONSA-N 354.523 4.381 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)[nH]1 223084159 PDQMJJOSFQYEJY-RBUKOAKNSA-N 354.523 4.332 0 40 FIAB Cc1ccc(C)c(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224285331 QNQWVWGCKNBCQA-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224627040 OZSIVANFVSHSKZ-JOCHJYFZSA-N 366.505 4.065 0 40 FIAB O=C(C1CCN(Cc2ccc(Cl)cc2F)CC1)N1CCc2ccccc21 225582499 ORZBNZYVFMDQLG-UHFFFAOYSA-N 372.871 4.280 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCC1 225655038 QRUGWFZBZYZKMW-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 225727546 YFAKCDJWIDXIQZ-DNVCBOLYSA-N 357.450 4.047 0 40 FIAB COc1cc(C(=O)O)cc(CSC)c1OCc1ccccc1Cl 226288413 ODVZTVNEZBFMPO-UHFFFAOYSA-N 352.839 4.489 0 40 FIAB CCOc1ccc(C(=O)NCCCN2c3ccccc3C[C@H]2C)cc1Cl 260813159 PZXZQOAAYWYBQS-OAHLLOKOSA-N 372.896 4.310 0 40 FIAB CC1(C)CN(C(=O)Nc2csc(-c3ccccn3)n2)[C@H]1c1cccnc1 515131007 WCFXEVLETAIMRN-INIZCTEOSA-N 365.462 4.215 0 40 FIAB O=C(NC[C@@H]1COc2ccccc21)C1(c2ccc(Cl)cc2)CCCC1 521109683 FMFKVCKVPIDVHU-OAHLLOKOSA-N 355.865 4.444 0 40 FIAB CCc1csc(-n2cc(C(=O)N3CC(C)(C)[C@H]3c3cccs3)cn2)n1 564008571 CIAUIYNIYVSQJE-OAHLLOKOSA-N 372.519 4.176 0 40 FIAB O=C(c1ccc2oc(O)nc2c1)N1CC2(CCCC2)c2c(F)cccc21 568377221 DEEGMRAPENFFMT-UHFFFAOYSA-N 352.365 4.145 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)NCC1(C(F)(F)F)CCCC1 629461690 NMHGAGLHVBJVKG-UHFFFAOYSA-N 353.306 4.487 0 40 FIAB FC(F)(F)c1cnc(N2CC(n3cnc4ccccc43)C2)c(Cl)c1 1775974851 SYFNRSPBJRTFND-UHFFFAOYSA-N 352.747 4.165 0 40 FIAB Cc1c(Cl)ccc2c1NC(=O)[C@@]2(O)CC(=O)c1cccc2ccccc12 623227 GAKDMVPYWBCLCG-OAQYLSRUSA-N 365.816 4.214 0 40 FIAB CC(=O)N(Cc1ccccc1Cl)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359622 VFYWSPKRKKCRQP-UHFFFAOYSA-N 368.864 4.347 0 40 FIAB Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 2220024 OLTYJANLPKLDBA-GJZGRUSLSA-N 360.248 4.313 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccc(F)cc1)C3 2400464 MHMQNJWCSSPOGK-UHFFFAOYSA-N 351.377 4.167 0 40 FIAB Cc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 3195602 HIBJKDLHUJMMSP-UHFFFAOYSA-N 357.365 4.015 0 40 FIAB CCc1cccc(CC)c1NC(=O)CSc1ncnc2ccccc12 3246399 NKCFAAAMTGMUIQ-UHFFFAOYSA-N 351.475 4.485 0 40 FIAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1cccc(F)c1 3278841 HXHREPBDKZEVNV-UHFFFAOYSA-N 361.457 4.477 0 40 FIAB CCc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 3315409 JKDHDJZZOVSJKB-UHFFFAOYSA-N 364.445 4.235 0 40 FIAB Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3ccco3)nc2c1 4359806 JBALICRXKCTTSJ-UHFFFAOYSA-N 357.479 4.105 0 40 FIAB CC(C)c1ccc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 4517982 OLBNBUOZAPACMR-UHFFFAOYSA-N 374.487 4.076 0 40 FIAB O=C(c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O)N1CCCC1 5241325 IKCGXEYRVSFSHZ-UHFFFAOYSA-N 367.832 4.273 0 40 FIAB CCOc1ccccc1C1=N/C(=C\c2ccccc2OC(F)F)C(=O)O1 5703003 HRZLUKRIXDSXHI-KAMYIIQDSA-N 359.328 4.031 0 40 FIAB COc1c2cc(c(O)c1OC)CCCCC(=O)CCc1ccc(O)c-2c1 5998679 ZTSNTUQTNQSIDC-UHFFFAOYSA-N 356.418 4.010 0 40 FIAB endogenous,in-man CCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12 6042666 JILNDVCCGUFVRE-UHFFFAOYSA-N 364.445 4.449 0 40 FIAB Cc1ccc(Cl)c(NC(=O)COC(=O)Cc2ccsc2)c1Cl 6423686 UZZWPCMQSSUCJH-UHFFFAOYSA-N 358.246 4.088 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3cscn3)cc12 6585135 BOYTUHZNLRAURZ-UHFFFAOYSA-N 355.444 4.209 0 40 FIAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccccn4)c(C)c3cc12 6624008 QECPDXQOZGCIJQ-UHFFFAOYSA-N 362.385 4.122 0 40 FIAB biogenic O=C(C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1)c1ccccc1 6665792 XHTPYFWSSVJNKR-FQEVSTJZSA-N 370.477 4.500 0 40 FIAB Cc1ccc2c(COC(=O)c3cccc(-n4cccc4)c3)cc(=O)oc2c1 6830671 UCBNVNYMVRHLHI-UHFFFAOYSA-N 359.381 4.249 0 40 FIAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(NCCc3ccco3)ncc21 6926629 KINXEALRGMJTAQ-CQSZACIVSA-N 367.836 4.290 0 40 FIAB COc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1OC 6954091 RIMJTOMWHFESOA-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(C3CC3)o2)cs1 7289790 IXTBEGXBCZQGPJ-UHFFFAOYSA-N 372.475 4.380 0 40 FIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2c(C)nn(C)c2C)cc1 7884011 ZCWVRBIXAZWNJG-OAQYLSRUSA-N 360.461 4.112 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)c1cc3c(F)cccc3s1)OCO2 7986644 XUNSGXXPJLNRFG-UHFFFAOYSA-N 357.362 4.224 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc2ccccc2n1 8009513 SCHSKNVNQJWGJL-UHFFFAOYSA-N 370.456 4.310 0 40 FIAB CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 8071377 GUGRQSNOBNEOOG-UHFFFAOYSA-N 350.462 4.359 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)Nc1ccc(F)cc1F 8275076 PMOQFVFJTXTYDI-UHFFFAOYSA-N 356.376 4.470 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2)c1 8356565 WKLPOMHHZVUWNP-OAHLLOKOSA-N 357.450 4.083 0 40 FIAB Cc1oc(C)c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1C 8419936 AOTUZOSQLHNINK-UHFFFAOYSA-N 356.205 4.307 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COc1ccccc1NC(C)=O 8537728 COUJYKRZXHECLV-UHFFFAOYSA-N 353.374 4.147 0 40 FIAB O=C(O)c1ccc(-c2csc(NC(=O)c3ccc(Cl)s3)n2)cc1 8769036 NEIYAFFVHAYMOG-UHFFFAOYSA-N 364.835 4.476 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@H](c1ccsc1)N1CCCC1 8862612 VHJXJOAKQWPFHB-OAQYLSRUSA-N 364.514 4.397 0 40 FIAB O=C(Cc1cn2ccsc2n1)N[C@H](c1ccc(F)cc1)c1cccs1 9889896 MRJWLNGJZNGLDK-QGZVFWFLSA-N 371.462 4.045 0 40 FIAB O=C(Nc1ccccc1F)N1CCCN(Cc2ccc(Cl)cc2)CC1 10382329 ZYQQSWSIJGOFJE-UHFFFAOYSA-N 361.848 4.219 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)s1 10517987 MDKWQDYGZKKKRD-VIFPVBQESA-N 355.868 4.307 0 40 FIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1n[nH]c2ccccc12 11419281 HVMMMNURBNBOFE-UHFFFAOYSA-N 363.446 4.025 0 40 FIAB Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1C(=O)O 12394305 WHLDXZNLIXOARA-ZETCQYMHSA-N 359.373 4.046 0 40 FIAB Cc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 12416037 OVWVYOZXYQVGBA-UHFFFAOYSA-N 370.408 4.257 0 40 FIAB COC(=O)c1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1F 12785489 LZCAJNMMNXKEFI-UHFFFAOYSA-N 365.788 4.062 0 40 FIAB COc1ccc(C2=N/C(=C\c3csc(-c4ccccc4)n3)C(=O)O2)cc1 12869732 AGIXTVQBVMLHBD-BOPFTXTBSA-N 362.410 4.163 0 40 FIAB CC(C)n1ncc2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cnc21 12911180 HFQMYCCCOOFYDO-GFCCVEGCSA-N 358.829 4.072 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12988506 AWYJUDROKMOZSX-INIZCTEOSA-N 350.437 4.288 0 40 FIAB CN(Cc1nc(O)c2cc(Cl)ccc2n1)Cc1c(F)cccc1Cl 13007065 LHYOPRLKDUYGQV-UHFFFAOYSA-N 366.223 4.413 0 40 FIAB CC(C)C(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2 13945512 FIJDEVLAKGKLFP-UHFFFAOYSA-N 359.809 4.202 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc2sccc2c(=O)[nH]1 14094188 CFWRASUFTJCOFM-JTQLQIEISA-N 369.471 4.138 0 40 FIAB C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccco1 14140120 XKWNMEISHNZSFI-CQSZACIVSA-N 359.385 4.488 0 40 FIAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 17656893 VFPDOKQUEKGDJE-QGZVFWFLSA-N 367.474 4.438 0 40 FIAB Cn1c(CCC(=O)N2CCc3cc(Cl)ccc32)nc2cc(Cl)ccc21 19663234 YJQUGJAUMZQNOF-UHFFFAOYSA-N 374.271 4.402 0 40 FIAB CCOc1cc(C(=O)Nc2ccc3[nH]ncc3c2)cc(OCC)c1OCC 20478767 IYTSCOJUNUDXGH-UHFFFAOYSA-N 369.421 4.011 0 40 FIAB Cc1ccc(COc2ccccc2CNc2ccc3[nH]c(=O)[nH]c3c2)cc1 20877828 WDIACWYUARVFNM-UHFFFAOYSA-N 359.429 4.356 0 40 FIAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnccn2)cc1 21352050 KYMGEMBUSTTZEK-UHFFFAOYSA-N 355.781 4.183 0 40 FIAB O=C(Oc1cccc(Cl)c1Cl)c1cccc(CN2CCCC2=O)c1 21587513 JOZGXHGWUDSOEK-UHFFFAOYSA-N 364.228 4.335 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 22511821 VNZFITFTNPUQHT-RXERPNITSA-N 367.445 4.341 0 40 FIAB Cc1cc(C)c(NC(=O)CCCNC(=O)c2ccc(F)cc2F)c(C)c1 24834632 ARIZTRDHCBDBCC-UHFFFAOYSA-N 360.404 4.039 0 40 FIAB CSc1ncc(Cl)c(C(=O)Nc2nc3c(C)cc(C)cc3s2)n1 27742954 WQTYQUYHFRTEKA-UHFFFAOYSA-N 364.883 4.331 0 40 FIAB O=C(/C=C/c1ccsc1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 28686003 WWUPZJHDAYFPPV-DAFODLJHSA-N 354.456 4.458 0 40 FIAB Cc1ccc(-c2noc(CS[C@@H](C)C(=O)NCc3cccs3)n2)cc1 28908958 SRZLFSQOWHTKHF-ZDUSSCGKSA-N 373.503 4.045 0 40 FIAB CCn1c(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)nc2ccccc21 30683094 OFZYUMUFEIZYIU-UHFFFAOYSA-N 374.448 4.013 0 40 FIAB CCOC(=O)N1CCC(C(=O)N[C@H](c2ccccc2)C2CCCCC2)CC1 32379621 HHJHTGNLPNTTIC-HXUWFJFHSA-N 372.509 4.293 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)c1 32412498 LRLNKXRIGRRVJB-OLZOCXBDSA-N 363.841 4.002 0 40 FIAB CC(C)c1ccc(CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 33583093 TZFFAXYDYJUKNB-UHFFFAOYSA-N 365.521 4.133 0 40 FIAB COc1cccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)c1 35324497 QEWOIKUFLAUZRI-OAHLLOKOSA-N 354.406 4.432 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2csc(Nc3ccccc3)n2)c1 35596743 PNKQEUYUVMITCV-UHFFFAOYSA-N 352.419 4.097 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2F)cc1 36353636 VKQOPUMWKNBUOR-HNNXBMFYSA-N 355.344 4.283 0 40 FIAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1cccc(F)c1 36619739 AGLSBXJEPNVLRD-HXUWFJFHSA-N 359.466 4.230 0 40 FIAB CSc1ccc(CN(C)C(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 39995501 KQORJYHIVLVYIA-UHFFFAOYSA-N 359.539 4.079 0 40 FIAB CN(C)C(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12 40007595 QHGWLNWFLLZELF-UHFFFAOYSA-N 366.490 4.050 0 40 FIAB O=C(CCc1nc2ccccc2s1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 40039833 MQEKCQWBLQGOSA-NWDGAFQWSA-N 356.413 4.466 0 40 FIAB C[C@H](Nc1nccc(C(F)(F)F)n1)c1ccc(NC(=O)C2CC2)cc1 45026823 WYXRFIWAEJXKOU-JTQLQIEISA-N 350.344 4.017 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 45613756 IZDMLMAZFBOBLD-INIZCTEOSA-N 368.477 4.226 0 40 FIAB CN(Cc1cccc(-c2nc(O)cc(-c3ccncc3)n2)c1)Cc1ccco1 48308303 DFKMASQGOJLFPX-UHFFFAOYSA-N 372.428 4.136 0 40 FIAB COc1cc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)cc(OC)c1 58310451 ORXSRSDBPXPQTO-GOSISDBHSA-N 354.450 4.333 0 40 FIAB CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](CO)c1cccc(F)c1 58357146 XBUCBQZUBPOCGL-OAHLLOKOSA-N 356.319 4.042 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccccc2-c2ccccc2)cc1 63848824 ZKLPARAYADARRE-UHFFFAOYSA-N 353.443 4.187 0 40 FIAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cccc(C2SCCS2)c1 69329359 QTPZTUBJOOKJQG-CZUORRHYSA-N 367.536 4.078 0 40 FIAB Cn1cc(CN2CCOC[C@H]2c2nc(C(C)(C)C)co2)c2ccccc21 72322181 YAXNQUOVIZNWDQ-SFHVURJKSA-N 353.466 4.037 0 40 FIAB biogenic,in-vitro CC(C)(C)OC(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 95939600 VGVHDWLOJWBVNG-GOSISDBHSA-N 353.418 4.096 0 40 FIAB O=C(NCc1ccccc1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96154300 HDBCRHQHXFLTNA-UHFFFAOYSA-N 359.385 4.290 0 40 FIAB COc1cccc2c1O[C@@]1(C)[C@H](C)[C@H]2NC(=S)N1c1cccc(C)c1 101390472 NRBZBIACSUVEKB-DUXSXAKTSA-N 354.475 4.184 0 40 FIAB O=C1O[C@@H](c2sc3ccccc3c2Cl)N/C1=C/c1cccc(O)c1 105576304 MGMSMTBWKWALPV-VEMDQMBVSA-N 357.818 4.446 0 40 FIAB CCc1nccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 106215227 IRFDRUOADCMMTR-DOTOQJQBSA-N 374.916 4.071 0 40 FIAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)c2cccnc2O1 158126633 FTSHOALSNRTVHK-LBPRGKRZSA-N 354.406 4.377 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(Cl)cc1 224443589 WBKVUYRYNZZNDT-QGZVFWFLSA-N 368.260 4.346 0 40 FIAB CCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 224703126 KBUPZCKLBPYNGD-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB O=C(NCc1cccnc1)c1cccc(OCc2ccccc2Cl)c1 225776771 GWJPYSXCPXAEFC-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB COC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 226333350 AYZYIRKOQOXSRQ-SOFGYWHQSA-N 365.198 4.353 0 40 FIAB COC(=O)c1cc(Cl)c(OCc2ccccc2)c(Br)c1 226340324 HALLOPBJNGIAQC-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB C=C[C@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@]2(C)CC[C@H]1C(C)(C)C(=O)O 252516888 XOOCXRSGLCQNKY-UAQKQZTHSA-N 362.466 4.084 0 40 FIAB biogenic,in-vitro O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@H](OCC2CC2)C1 390829891 HITOCMPLQJGVEQ-FQEVSTJZSA-N 355.409 4.259 0 40 FIAB COc1cc(C(=O)CCCCBr)ccc1Br 393806321 XBXVMVCRTGSIPW-UHFFFAOYSA-N 350.050 4.206 0 40 FIAB O=C(C(=O)N1CCCCCC1)c1c(-c2ccc(F)cc2)cc2ccccn12 408674756 CDDJKPFLNUZJPP-UHFFFAOYSA-N 364.420 4.331 0 40 FIAB Cc1[nH]nc2ncc(NC(=O)[C@H](Oc3ccccc3)c3ccccc3)cc12 516780731 DQFSAIUPSZTBJH-LJQANCHMSA-N 358.401 4.025 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CCc2n[nH]cc2C1 535991279 UIRZEDXVKXPJMJ-VGSWGCGISA-N 371.440 4.167 0 40 FIAB Cc1ccnc(Oc2ccc(NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)cc2)n1 538003093 WCPOWIGMRVELMO-OALUTQOASA-N 363.392 4.459 0 40 FIAB CCCc1nc(-c2noc([C@@H]3CCN(c4ccccc4Cl)C3)n2)co1 564457872 YBFSJUWJRRVDHT-GFCCVEGCSA-N 358.829 4.324 0 40 FIAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)c1ccc(Cl)s1 575608800 VHVIXBCBIUKZKP-UHFFFAOYSA-N 361.801 4.007 0 40 FIAB O=C(N[C@H]1CCCc2c(F)cccc21)N1CCC([C@H]2CCCCO2)CC1 664975186 SIVLAMPYXYPDOP-VQTJNVASSA-N 360.473 4.194 0 40 FIAB Cc1cccc(COC[C@H]2CC3(CCN(CC4CCCCC4)CC3)CO2)n1 2055803722 NSFGSGSFEXTCHN-JOCHJYFZSA-N 372.553 4.358 0 40 FIAB Cc1cccc(C)c1NC(=S)NC(=O)c1cccc(Br)c1 680987 VLVUEAWGWSOQQP-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB COc1ccc(OC)c(Nc2nc(-c3ccc(OC(C)=O)cc3)cs2)c1 813374 RWZXBMBYDNATCX-UHFFFAOYSA-N 370.430 4.496 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 852740 SOAHTMYIJXBZAT-KRWDZBQOSA-N 358.825 4.250 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(NC(=O)c2cccs2)cc1 920181 UXCUVFISHOIIJJ-UHFFFAOYSA-N 352.415 4.018 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1Cc2c(ccc3ccccc23)O1 1398999 RMRCDOXBZPLZCK-LJQANCHMSA-N 371.358 4.479 0 40 FIAB COc1ccc(CNC(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)cc1 1464167 ANNBREHTBSDHMA-QFIPXVFZSA-N 361.441 4.044 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)cc1 1980652 BPWUCFPECMOFQO-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB CCOC(CSc1nc(SC)nc2sc3c(c12)CCC3)OCC 2233547 IGDKKFLVQGLEDM-UHFFFAOYSA-N 370.565 4.393 0 40 FIAB Brc1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 2427922 JESRTBMLTJVQGT-OLZOCXBDSA-N 361.268 4.248 0 40 FIAB COc1ccccc1[C@@H]1C=C(c2cccnc2)Nc2nc3ccccc3n21 2914816 DPFMZNGDXMQBBT-FQEVSTJZSA-N 354.413 4.496 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1c(Cl)cccc1Cl 3332415 WUIUJMPGWMCMJW-UHFFFAOYSA-N 367.232 4.142 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 3344828 WTDDRGSPMMNDAP-UHFFFAOYSA-N 366.527 4.016 0 40 FIAB Cc1cc(C)cc(NC(=O)COc2ccc(F)cc2Br)c1 3510479 GFACNNAXMBRWER-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2s1 3602839 FOCVQJJPAJSGGN-UHFFFAOYSA-N 372.471 4.204 0 40 FIAB Cc1cc(C)c(NC(=O)CN2C(=O)CCSc3ccccc32)c(C)c1 4162723 NPGSAHLVXXNYTJ-UHFFFAOYSA-N 354.475 4.079 0 40 FIAB Clc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1Cl 4271803 BHLQFXOUQCSKJO-UHFFFAOYSA-N 371.231 4.129 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2)o1 4330288 AYHGGWWYOGZJTQ-UHFFFAOYSA-N 364.188 4.061 0 40 FIAB CCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 4703885 JVGMTELRZCTFEV-UHFFFAOYSA-N 353.447 4.416 0 40 FIAB CCOc1ccc2nc(NC(=O)c3cccc(NC(=O)CC)c3)sc2c1 5060905 PYLRDZISICBOCS-UHFFFAOYSA-N 369.446 4.296 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1F 5152737 KQXZLRFMBFQPNU-GOSISDBHSA-N 368.383 4.092 0 40 FIAB C[C@@H]1CCC2=NN(c3nc4ccccc4s3)[C@@](O)(C(F)(F)F)[C@@H]2C1 5275009 BAGPJGSPOHTGMQ-FCHSOHFDSA-N 355.385 4.159 0 40 FIAB COc1cccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 5661991 JVKHYVLQDKKCDP-UHFFFAOYSA-N 353.418 4.437 0 40 FIAB O=C(COC(=O)CCC1CCCC1)NCc1ccc(Cl)cc1Cl 5752465 QPUWVLMBTWBSMC-UHFFFAOYSA-N 358.265 4.123 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccccc1C 6243388 YCHOJNYNZFWRDA-AWEZNQCLSA-N 356.491 4.401 0 40 FIAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 6650307 NUOHCPCCALGMQH-LFIBNONCSA-N 361.463 4.190 0 40 FIAB CCSc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1 6713165 DQCMTFMZTQZDBZ-UHFFFAOYSA-N 354.519 4.378 0 40 FIAB Cc1ccc(C2=NN(C(=O)CSc3ccccn3)[C@H](c3ccco3)C2)o1 6822312 BXUCIHPLGNKHSF-HNNXBMFYSA-N 367.430 4.046 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)c(OC)c1 6882231 MBQHZGBSLDKOMI-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)C(c1ccccc1)c1ccccc1 7272992 AOKLPFLSMACMSS-UHFFFAOYSA-N 359.425 4.206 0 40 FIAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCCCCC2)cc1 8341923 LHOZXFPFZACLRI-HXUWFJFHSA-N 364.445 4.307 0 40 FIAB Sc1nc2ccccc2c2nc(COc3cccc4ccccc34)nn12 8559872 ZLXOTLIQESUBTJ-UHFFFAOYSA-N 358.426 4.298 0 40 FIAB CC(C)[C@@H]1C[C@@](CCNC2CCN(C)CC2)(Cc2ccccc2)CCO1 9047112 FVOUTONKTROUNU-XZOQPEGZSA-N 358.570 4.124 0 40 FIAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccncc1 9424523 LYPAHLCWMCZQFD-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB CCNc1nnc(SCc2nnc(-c3cc(C)c(CC)s3)o2)s1 10344421 UYBSVKUCELKEKK-UHFFFAOYSA-N 367.525 4.245 0 40 FIAB Cc1ccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 10382997 SOPFAEXVWOKEDB-UHFFFAOYSA-N 352.356 4.396 0 40 FIAB CN(C)[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1 12758056 YKZDVPVLNJBZIH-QHCPKHFHSA-N 372.512 4.108 0 40 FIAB O=C(COc1cccc(Br)c1)N[C@@H](c1ccccc1)C1CC1 12800657 FUGPOJLKUUBCKO-SFHVURJKSA-N 360.251 4.095 0 40 FIAB C[C@H](NC(=O)CSc1ccccc1C(=O)O)c1cc2ccccc2o1 12973957 IYNLDKSEKNAFQJ-LBPRGKRZSA-N 355.415 4.101 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 12977148 RYLSJTYCFBBHFK-UHFFFAOYSA-N 352.415 4.030 0 40 FIAB CN1CCCc2cc(CCNC(=O)c3ccc(C(C)(C)C)cc3)ccc21 13006710 IBZBTGNRRVLURT-UHFFFAOYSA-N 350.506 4.339 0 40 FIAB CCNC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2C)c1 13040733 BJZDEWVQYZRRCR-UHFFFAOYSA-N 374.868 4.196 0 40 FIAB Cc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccccc2)c1 13631871 SPPHAVGBCCIDCT-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB O=C(Nc1cccc(F)c1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14207773 MSZLIVHHVJUBIM-UHFFFAOYSA-N 353.372 4.282 0 40 FIAB CC1(C)CC2(CC(C)(C)N1)OC(=O)N1CCc3c([nH]c4ccccc34)[C@@]12C 15106211 LGIABOLBJXWIES-OAQYLSRUSA-N 367.493 4.071 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCC(=O)c2cccs2)c1 15827468 JRWRYNOGGYGJOU-MRXNPFEDSA-N 373.474 4.092 0 40 FIAB O=C(O)c1ccc(CNCc2ccccc2OCc2ccccc2F)cc1 16449731 VMNVRIDJIBIDJE-UHFFFAOYSA-N 365.404 4.393 0 40 FIAB Cc1ccc2oc(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)cc2c1 19221366 SVBOGAVHFKDXFE-LJQANCHMSA-N 363.392 4.133 0 40 FIAB C[C@@H]1CCCC[C@@H]1N1CCN(Cc2ccc(Br)cc2)CC1 19362150 OWGHSDXRNVLLLV-QAPCUYQASA-N 351.332 4.145 0 40 FIAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1nc2ccccc2[nH]1 19817346 GJYCMFBZTNOJKB-ZDUSSCGKSA-N 362.820 4.315 0 40 FIAB Cc1ccc(C)c(CC(=O)Nc2ccc(I)cc2)c1 20484549 KJIJEPDUKIFUAP-UHFFFAOYSA-N 365.214 4.089 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nonc1-c1ccc(C)c(C)c1 20899450 FBAGOXSTBOWNDM-INIZCTEOSA-N 369.396 4.289 0 40 FIAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc2[nH]nnc2c1 22024055 ZZIRJQAGPNUGFD-UHFFFAOYSA-N 374.444 4.172 0 40 FIAB CCC(=O)N1CCCc2ccc(NC(=O)NCCCc3ccccc3)cc21 22502928 UWXIEMGLMYFQRS-UHFFFAOYSA-N 365.477 4.130 0 40 FIAB O=C(CCC(=O)N(Cc1ccccc1F)C1CC1)c1ccc2c(c1)CCC2 23955427 LCIRZLVHRNJUSY-UHFFFAOYSA-N 365.448 4.469 0 40 FIAB CC(=O)Nc1nc(COC(=O)CSc2ccc3ccccc3c2)cs1 24905938 DPNBDEXVUURDIY-UHFFFAOYSA-N 372.471 4.090 0 40 FIAB CCn1c(SCc2cccs2)nnc(Nc2cccc(C)c2C)c1=O 28538108 DHVUXVYMSAEJGZ-UHFFFAOYSA-N 372.519 4.372 0 40 FIAB O=C(NCCCCc1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 29334199 UCXKAZUUMJUNBT-QFIPXVFZSA-N 359.473 4.493 0 40 FIAB COc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)c(OC)c1 29520257 CXHLLRATZUZYBW-UHFFFAOYSA-N 367.401 4.437 0 40 FIAB Cc1nc(NC(=O)c2ccco2)sc1-c1nc(-c2ccccc2)no1 32101467 TTXRPTXBALSELS-UHFFFAOYSA-N 352.375 4.014 0 40 FIAB Fc1ccccc1-c1n[nH]c(SCc2nnc(-c3cccs3)o2)n1 32708047 XRQGVPCMBWLAMM-UHFFFAOYSA-N 359.411 4.015 0 40 FIAB COC(=O)c1ccsc1NC(=O)C1c2ccccc2Oc2ccccc21 35586367 TVTIFVIBBDKWJR-UHFFFAOYSA-N 365.410 4.411 0 40 FIAB O=C(Nc1ccccc1Cn1cccn1)c1cc(F)ccc1Br 36759885 DNPHDZRYGQEKAQ-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB COCCN(Cc1ccsc1)C(=O)Nc1ccccc1C(F)(F)F 42382298 BUQZQSUEGLYUGX-UHFFFAOYSA-N 358.385 4.447 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 44903235 QPIZZVHESQGBIP-HXUWFJFHSA-N 368.477 4.238 0 40 FIAB O=C(Nc1cccnc1-n1cccn1)N[C@@H](c1cccs1)C1CCCC1 48339723 WEBVRILEHQOVPO-QGZVFWFLSA-N 367.478 4.382 0 40 FIAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1csc(-c2ccccn2)n1 48367659 MPERRZBTJXTPKQ-CYBMUJFWSA-N 371.462 4.311 0 40 FIAB CC(C)OCc1cccc(CNC(=O)c2ccccc2Br)c1 48373989 OJHGEPKHXJDOGH-UHFFFAOYSA-N 362.267 4.304 0 40 FIAB CC(C)[C@@H](C(=O)NCc1nc2ccccc2n1C)c1ccc(Cl)cc1 49600845 KMCJBSDFPBOKLY-LJQANCHMSA-N 355.869 4.283 0 40 FIAB CCc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 57524199 IVHBINGRHLUHEG-UHFFFAOYSA-N 374.366 4.409 0 40 FIAB COC(=O)c1ccc([C@@H](C)Sc2nnc(-c3sc(C)nc3C)o2)o1 58142882 IFBFEJDYMOSGSR-MRVPVSSYSA-N 365.436 4.043 0 40 FIAB CCCC(C)(C)NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C 65041434 HENSFRABPLBUOU-UHFFFAOYSA-N 362.495 4.444 0 40 FIAB CC(C)Cn1ccc2cc(NC(=O)NC[C@H](C)CC3(C)OCCO3)ccc21 72313640 ZVLDFXSCFUYQBW-MRXNPFEDSA-N 373.497 4.208 0 40 FIAB Nc1c(Cl)cc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl 84519341 DSZIQXWTIPVVID-QGZVFWFLSA-N 364.276 4.351 0 40 FIAB O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(-c2ccccc2)cc1 85560120 IBUGUCRDQRRCGA-XMMPIXPASA-N 357.453 4.003 0 40 FIAB Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc2nsnc2c1 90592701 KDSLKLXWIFWVHR-UHFFFAOYSA-N 372.500 4.115 0 40 FIAB Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)c(F)cc1F 95964476 SVPIEEHMZLVGNS-LJQANCHMSA-N 371.383 4.242 0 40 FIAB CC(=O)c1ccc(-c2ccc([C@@H]3CC(O)=NC4=C3C(=O)OC4(C)C)o2)cc1 101620368 QGUCEYRAEGUMKQ-AWEZNQCLSA-N 365.385 4.183 0 40 FIAB O=c1nc2n(nc1-c1ccccc1)[C@H](c1cccc(F)c1)Nc1ccccc1-2 102347303 YRIXJACNZVSIJY-HXUWFJFHSA-N 370.387 4.084 0 40 FIAB COc1ccc2cc(CNc3ccc(N4CCCCC4)cc3)c(=O)[nH]c2c1 136683211 SVPKMIOUVKSXLB-UHFFFAOYSA-N 363.461 4.139 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4)nn23)cc1 199413782 NFFXMZOEBGBLBQ-UHFFFAOYSA-N 369.881 4.163 0 40 FIAB CC(C)Oc1cccc(CCCNC(=O)COc2ccccc2Cl)c1 218849035 ZRYXMTIBPOSYNQ-UHFFFAOYSA-N 361.869 4.255 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCC1 222735087 WPEQRLXQNGFART-OALUTQOASA-N 354.523 4.217 0 40 FIAB CCc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 223962136 XNQIBWJTALKELK-IBGZPJMESA-N 353.462 4.219 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)s1 224845753 YIWGABSXXHXALK-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 225004341 QWRVPSTZPMOWLS-QGZVFWFLSA-N 368.477 4.053 0 40 FIAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cc1N1CCCC1=O 225474546 RJXFIGPMZDZZGE-CQSZACIVSA-N 371.481 4.309 0 40 FIAB CCOc1ccccc1NC(=S)N[C@@H]1CCCc2cc(OC)ccc21 225702586 AMTUQQCCJQRISE-QGZVFWFLSA-N 356.491 4.458 0 40 FIAB COc1ccc(C)cc1NC(=O)c1snnc1-c1ccc(Cl)cc1 225770507 XVZMBWXMYHNPKO-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 226324186 QAUZNSGFGWTDJM-UHFFFAOYSA-N 357.763 4.259 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 244258857 WLKBCFTWSNXYPC-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 257201710 AIRZHFRMRASXHN-WOGGDJBASA-N 359.485 4.480 0 40 FIAB CCCCCC1=NN(C(=O)CCc2ccccc2)[C@@](O)(C(F)(F)F)C1 408733997 BKUMAZOKCDCEKU-KRWDZBQOSA-N 356.388 4.039 0 40 FIAB O=C(Nc1ccc2ccoc2c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 558418689 AHUZOGMKMHCDFZ-VAMGGRTRSA-N 362.429 4.469 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)Cc2ccccc2Cl)c2cccs2)n1 575611463 VJHBRUPEUWZPTG-KRWDZBQOSA-N 373.909 4.163 0 40 FIAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3CCc4cc(Cl)ccc43)cnc21 585082366 JOXPMEZLKKMBFK-UHFFFAOYSA-N 368.868 4.122 0 40 FIAB CCCOc1cccc2c(N3CC[C@@]4(C3)C(=O)Nc3ccccc34)ccnc12 684892505 RLMQPGOAVDUETC-QHCPKHFHSA-N 373.456 4.124 0 40 FIAB CN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1 1124485634 KXRBNMSGFUSFLX-UHFFFAOYSA-N 351.277 4.245 0 40 FIAB Cn1nc(-c2cccs2)cc1CNC(=O)Cc1cccc2ccccc12 1775966433 DMLYTPWAPQJNGL-UHFFFAOYSA-N 361.470 4.161 0 40 FIAB Cc1ccc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cc1 652638 BYLRXQYHCWDNRO-UHFFFAOYSA-N 352.291 4.165 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccs2)CC1 783947 UIOLPNAUYRSXQR-UHFFFAOYSA-N 366.845 4.032 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccn1 792635 IEGVCSINSHIKNC-OAQYLSRUSA-N 373.456 4.150 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 882338 SIGDCJDKRMJCMS-VXGBXAGGSA-N 365.886 4.272 0 40 FIAB CC(C)c1nc(SCC(=O)NCc2ccccc2)c2ccccc2n1 1342907 WJAIVFWRUBPAOA-UHFFFAOYSA-N 351.475 4.162 0 40 FIAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc4ccccc4c3)ccc12 2327157 HDQHVXSKGPCCNE-UHFFFAOYSA-N 374.392 4.461 0 40 FIAB COc1ccc([C@H]2N(c3cccc(Cl)c3C)C(=O)C2(F)F)cc1OC 3242622 BEVIMFXHUFRLSR-MRXNPFEDSA-N 367.779 4.389 0 40 FIAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1 3273699 OAPCOTWRWBQLLJ-CYBMUJFWSA-N 368.820 4.381 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1cccc(C(F)(F)F)c1 3297860 PJOJZKMRMMSHGO-UHFFFAOYSA-N 369.339 4.089 0 40 FIAB C[C@H](CN1[C@H](C)CCC[C@H]1C)OC(=O)c1cccc(Br)c1 3667938 PDIXGTGFDXWHMR-MGPQQGTHSA-N 354.288 4.257 0 40 FIAB Cn1cc(NC(=O)OCc2ccc(Cl)cc2Cl)c(C(F)(F)F)n1 4060291 LUDRKKZXCOZNJJ-UHFFFAOYSA-N 368.142 4.494 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 4174502 OYYMXLGCTSMBBM-NSHDSACASA-N 359.451 4.464 0 40 FIAB Cc1ccn2cc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 4370827 SIKJYGVRTBQJJZ-UHFFFAOYSA-N 371.396 4.291 0 40 FIAB CCC(=O)c1cc2c(cc1NC(=O)Nc1cccc(Cl)c1)OCCO2 4680528 WAZFXRHFTJBECO-UHFFFAOYSA-N 360.797 4.348 0 40 FIAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccco2)cc1 5451828 QZGBMSKBVBBDKI-QFIPXVFZSA-N 374.440 4.326 0 40 FIAB COC(=O)c1c2c(cc3c1C[C@@]1(Cc4ccc(C(C)=O)cc4C1)C3)CCC2 5713139 ZIWLRBCUVCIAMM-XMMPIXPASA-N 360.453 4.048 0 40 FIAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)NC(=S)N1 5815814 NQFGVOUYFKDUHL-QGZVFWFLSA-N 371.893 4.080 0 40 FIAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O 5936611 VJBOOJURUIVOAL-SGTLLEGYSA-N 368.399 4.342 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 6225875 BZZAIBFHAZWHMY-UHFFFAOYSA-N 357.410 4.169 0 40 FIAB Sc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 6451277 QEBFKHJPLARJGX-UHFFFAOYSA-N 360.280 4.239 0 40 FIAB O[C@]1(c2ccc(Cl)cc2Cl)CSC(=S)N1Cc1cccnc1 6923156 VYEBWIKOSCQQKU-HNNXBMFYSA-N 371.314 4.067 0 40 FIAB CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1C1CC1)O[C@@H](C)C2 7364312 BGUHBAODHFMWQE-YEJXKQKISA-N 364.445 4.138 0 40 FIAB O=C(CSc1nc(-c2cccs2)n[nH]1)c1ccc2c(c1)CCCC2 8230659 LABSSEUMLYCEOF-UHFFFAOYSA-N 355.488 4.387 0 40 FIAB COc1cc(-c2nnc(SCCc3ccccc3)o2)cc(OC)c1OC 8231830 QSDUBAWHWLZZSQ-UHFFFAOYSA-N 372.446 4.097 0 40 FIAB Cc1noc(C)c1CN(C(=O)COc1ccccc1F)c1ccccc1 8923864 IWZSXOSDFAPRTM-UHFFFAOYSA-N 354.381 4.043 0 40 FIAB C[C@@H](NC(=O)CCC(=O)c1ccc(Br)cc1)c1cccs1 9515193 BJWFSKHQZBTSBZ-LLVKDONJSA-N 366.280 4.351 0 40 FIAB O=C(CSCc1cc(Cl)c2c(c1)OCO2)Nc1ccccc1F 9721880 LYIJGXDZZRKCRT-UHFFFAOYSA-N 353.802 4.080 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Cl)ccc21 10972270 TZMDJFFKCQOVGD-UHFFFAOYSA-N 372.852 4.364 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 11247180 HZWHETAVSCDRGB-HXUWFJFHSA-N 360.461 4.361 0 40 FIAB Cc1cc(NC(=O)CCSc2ncc(C(F)(F)F)cc2Cl)no1 11364583 LCGULLCULUYUQI-UHFFFAOYSA-N 365.764 4.171 0 40 FIAB COc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)c(OC)c1 11618771 ATMXNLJPWQWPBA-UHFFFAOYSA-N 362.429 4.421 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1C 11915089 JLUSAQIPTPLBKL-UHFFFAOYSA-N 364.420 4.450 0 40 FIAB O=C(c1cc(-c2ccco2)on1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 12144812 PAFTXUJLVTVPQX-MRXNPFEDSA-N 362.389 4.178 0 40 FIAB COc1cccc(CN2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)c1 12184520 ZOGFQBPDJRLDFD-INIZCTEOSA-N 372.852 4.094 0 40 FIAB Cc1c(C(=O)OCc2ccccc2Cl)nnn1-c1ccc(Cl)cc1 12415631 NCWIQZBZGGLWKP-UHFFFAOYSA-N 362.216 4.240 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)c1ccccc1C(=O)c1ccc(F)cc1 12728705 YVOPJGCHPHBCAZ-HNNXBMFYSA-N 365.404 4.401 0 40 FIAB COC(=O)c1sccc1NC(=O)c1csc(-c2ccc(C)cc2)n1 12759184 HEFYGAUSBCDTIA-UHFFFAOYSA-N 358.444 4.219 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@H]1CCCC[C@@H]1C(F)(F)F 12812056 GATBTVGJJWTSMR-JQWIXIFHSA-N 353.743 4.095 0 40 FIAB CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 12888339 HWJGJJJPHYEIPP-ZBFHGGJFSA-N 374.510 4.135 0 40 FIAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 12895604 VXTQEBLWTATSIN-UHFFFAOYSA-N 357.624 4.015 0 40 FIAB C[C@H](NC(=O)NCc1ccc(CN2CCCCC2)cc1)c1ccccc1 12928137 JEORSIFIRWRAEO-SFHVURJKSA-N 351.494 4.233 0 40 FIAB O=C(Nc1nccs1)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 13006381 HRJFCXHJGJFHTB-UHFFFAOYSA-N 370.821 4.495 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(-c3nn4cnnc4s3)cc2)cc1Cl 13957476 KXBVJMGVTVHOFT-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB Cc1nc2cc(NC(=O)/C=C/c3cc(Cl)c4c(c3)OCCO4)ccc2o1 15600090 RWVJPQKAZIDHOS-GORDUTHDSA-N 370.792 4.213 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)c2cccnc12 15840782 RTEHCVKBYPZIJM-AWEZNQCLSA-N 366.417 4.048 0 40 FIAB Cc1ccc(CNC(=O)N(C)Cc2ccc(Br)s2)cc1 17069713 UQYOROALBDCQOU-UHFFFAOYSA-N 353.285 4.161 0 40 FIAB Cc1cc(C)n([C@H](C)C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)n1 19716910 UUUARSOJBUMLIP-CQSZACIVSA-N 365.462 4.076 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1Cl 19932395 ZHDOCKLZBZMEIT-QGZVFWFLSA-N 367.898 4.414 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 20048462 JSJYVFWTUHBAJX-NRFANRHFSA-N 367.470 4.072 0 40 FIAB CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20671817 UVGWKOPYPNWHAV-OAHLLOKOSA-N 366.490 4.272 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)sc1Cl 21828488 XREQVERVYKTCDA-UHFFFAOYSA-N 355.246 4.434 0 40 FIAB O=C(Nc1ccc(F)c(F)c1F)c1cnn(Cc2ccccc2Cl)c1 21844192 WHORLTUJSMQYDK-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB Cc1nc(-c2ccc(NC(=O)CSCc3c(C)noc3C)cc2)co1 23182842 BBNLOKGIGNTZSU-UHFFFAOYSA-N 357.435 4.127 0 40 FIAB O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)[C@H]2CCCO2)c1 25351813 JUXCMSTUCZEAIH-HXUWFJFHSA-N 360.413 4.210 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3cc(OC)ccc3n2)cc1 26076909 QTVBSKRKQHZAMO-OAQYLSRUSA-N 362.429 4.229 0 40 FIAB O=c1c2cc(Cl)cc(Cl)c2ncn1CCOc1cccc(Cl)c1 26396229 FIWAAIGOOAXGNG-UHFFFAOYSA-N 369.635 4.436 0 40 FIAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c12 29516626 AYEBJCXNBIJHLY-BETUJISGSA-N 368.506 4.123 0 40 FIAB COc1ccc2cc(CNC(=O)[C@@H](C)n3cnc4ccccc43)ccc2c1 30573233 QHCAOHSDGSKYIE-OAHLLOKOSA-N 359.429 4.076 0 40 FIAB COc1ccc(NC(=O)Cc2ccc(C)cc2)cc1OCc1cccnc1 31410140 RTNLTMGPCXXIKJ-UHFFFAOYSA-N 362.429 4.159 0 40 FIAB CC[C@]1(C)Cc2nc3sc4c(=O)n(CCC(C)C)cnc4c3cc2CO1 32105266 HIQAVVDWNGATDP-HXUWFJFHSA-N 371.506 4.294 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1 32669926 KXHBZVIBPNZIGK-DJIMGWMZSA-N 363.523 4.022 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(-c2cccc(Cl)c2)on1 32830325 FTYGIKUPBCPEPS-UHFFFAOYSA-N 370.792 4.409 0 40 FIAB Cc1nc(C)c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)s1 32903734 CEZNTBFOYXVTEZ-OAHLLOKOSA-N 363.552 4.024 0 40 FIAB O=C(COc1cccc2ccccc12)N(Cc1cccnc1)Cc1ccco1 32906965 FDARJMHVOFYGET-UHFFFAOYSA-N 372.424 4.436 0 40 FIAB Cc1ccc(C(=O)N[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)cn1 36393402 DVZYADLJZJJLBH-HXUWFJFHSA-N 374.419 4.050 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c1 38771324 OONZSBKQBUQDDO-SFHVURJKSA-N 355.434 4.276 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cn1 40142427 RBDFGUDBGFCBKH-UHFFFAOYSA-N 352.463 4.304 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cccc(OC(F)F)c3)c12 44580741 INQZSLPYAYDZDM-UHFFFAOYSA-N 372.375 4.008 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(OC2CCCC2)cc1 46577071 FVGDLWOIRHLZIJ-UHFFFAOYSA-N 353.418 4.308 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCC(COCc2ccccc2)CC1 49028625 CJFMIFXOWTWRRQ-UHFFFAOYSA-N 362.473 4.097 0 40 FIAB CCN(Cc1ccccc1)[C@H](c1ccc(C)cc1)c1nnnn1C(C)(C)C 57613805 VKAACGJVQMXIEB-HXUWFJFHSA-N 363.509 4.348 0 40 FIAB CC1(C)CC(NC(=O)Nc2ccccc2N2CCCCC2)CC(C)(C)N1 57869727 JKLBFWDVXXPSGC-UHFFFAOYSA-N 358.530 4.108 0 40 FIAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(NC3CCCCC3)cc2)C1 58137646 OBIUXTJZLQHPOG-KRWDZBQOSA-N 371.525 4.264 0 40 FIAB CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 73652642 HRHMSDDFRMSSCB-QGZVFWFLSA-N 362.470 4.045 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(F)cc1)SCC(O)=N2 79476861 LGKPURFXFUVWOS-KRWDZBQOSA-N 354.410 4.139 0 40 FIAB O=C(COC(c1ccccc1)c1ccccc1)N[C@@H]1CC(=O)c2ccccc21 95467872 OQBJTNZLOHNCRR-OAQYLSRUSA-N 371.436 4.237 0 40 FIAB OC1=Nc2ncn(-c3cccc(F)c3)c2[C@@H](c2cccc(O)c2)SC1 95473027 UMEOADXFZRRMFZ-QGZVFWFLSA-N 355.394 4.141 0 40 FIAB Cc1ccnc(-n2nccc2NC(=O)N[C@@H](C)c2cc(C)sc2C)c1 97164593 XUQPMWNIKKFXEF-ZDUSSCGKSA-N 355.467 4.137 0 40 FIAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccc(OC(C)C)cc1)n2C 100853505 OXXNMSGQLPQEEL-QZQOTICOSA-N 370.474 4.167 0 40 FIAB COc1cc(CNC(=O)c2ccccc2OC(C)C)ccc1OC(C)C 219738079 OCTKTBLMNVOSNP-UHFFFAOYSA-N 357.450 4.200 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1 223938402 CXGTZOPIEAZXKY-GFCCVEGCSA-N 371.308 4.179 0 40 FIAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COCC(C)C 224456391 ZWQNIJVJPHFPKU-OAHLLOKOSA-N 359.441 4.498 0 40 FIAB CC[C@@H](NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(OC)cc1 224732352 KVKMCDMNHONJAP-OAQYLSRUSA-N 353.462 4.220 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(Cl)cc3C)c2c1 225755085 ZCPHOVUOIMPKDG-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c(C)c1C 225870276 PNBIBHCASRPGDW-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 226336234 VZHPHTKKDBVLFM-QPJJXVBHSA-N 352.217 4.080 0 40 FIAB Cc1ncccc1NC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl 227153097 SYFFQQYUPPUUOR-UHFFFAOYSA-N 370.840 4.025 0 40 FIAB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1ccccc1Br 408529579 MLQGLIZEPCEVTC-UHFFFAOYSA-N 373.181 4.264 0 40 FIAB O=C(c1ccccc1F)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408610591 QJSCEDSFNFDMKF-UHFFFAOYSA-N 366.480 4.344 0 40 FIAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c1 408829537 OMYCMKRYPLIWHH-UHFFFAOYSA-N 361.825 4.267 0 40 FIAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccccc3)cc2)cc1 409111221 BKMSBMUEQWWPPH-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)CC2)no1 529418213 NECAJXKKIOLJOY-ZWKOTPCHSA-N 371.456 4.232 0 40 FIAB O=C1C[C@H](c2cccc(Nc3cnc4cc(Cl)c(Cl)cc4n3)c2)CN1 542041357 GDSSWGCUAIXFFL-NSHDSACASA-N 373.243 4.284 0 40 FIAB COc1nc2ccccc2cc1CNc1ccc(C(=O)N2CCCC2)cc1 568789149 WNLYFQGCFYMSIY-UHFFFAOYSA-N 361.445 4.092 0 40 FIAB Cc1cccc(NC2CCN(C(=O)c3n[nH]c4ccc(Cl)cc34)CC2)c1 571739736 XBHQNSQHLGDTSU-UHFFFAOYSA-N 368.868 4.241 0 40 FIAB Cc1noc([C@H](C)N(C)C(=O)c2cc(-c3ccc(F)cc3)c(C)s2)n1 581378920 XRARGGCOEBAAIM-JTQLQIEISA-N 359.426 4.387 0 40 FIAB CC(=O)N1CCC[C@H](NCc2cccc(F)c2)[C@@H]1Cc1cccc(Cl)c1 585286324 PUNRXXQTEWZBEB-SFTDATJTSA-N 374.887 4.191 0 40 FIAB O=C(CCSc1ccccc1)NC[C@@H](O)c1csc2ccccc12 585371780 DDMVKXNYGPGNOZ-QGZVFWFLSA-N 357.500 4.233 0 40 FIAB O=C1NCC2(CCCCCCCOc3ccc(Cl)cc31)CCNCC2 643561783 HUGUOTNFFJUDJT-UHFFFAOYSA-N 364.917 4.173 0 40 FIAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccc(OC(F)(F)F)cc2)c1 1889125168 AJYQLXTXRFCHHP-SJPCQFCGSA-N 365.399 4.458 0 40 FIAB CC(C)c1ccc(CN2CCC3(CC2)CC(NC(=O)C2(C)CC2)C3)cc1 2056226187 MMPOVHVFFKTHEH-UHFFFAOYSA-N 354.538 4.471 0 40 FIAB Cc1nc(C2CCOCC2)cc(N2CCC(Cc3ccccc3)CC2)n1 2086861368 HXTGYXBGWUWUCN-UHFFFAOYSA-N 351.494 4.138 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)cc1OCC 936382 PTOLBGURXXETCU-CSKARUKUSA-N 361.467 4.111 0 40 FIAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(=O)O)cc1 949069 BJYGWOBBSDOKHU-UHFFFAOYSA-N 364.401 4.470 0 40 FIAB COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1256132 IRWCCSLSRGPCKI-UHFFFAOYSA-N 363.344 4.427 0 40 FIAB NC(=O)c1ncc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)cc1 1391432 KYIHLUUBKXJLFL-UHFFFAOYSA-N 350.218 4.010 0 40 FIAB COc1ccc(N(C(=O)c2ccccc2OC(C)=O)[C@H](C)C2CC2)cc1 1506061 IMSNRPGKSZCGHS-CQSZACIVSA-N 353.418 4.066 0 40 FIAB CC(=O)O[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)N1CCCCC1 1701276 AHLVYOADQOSJBO-UNMCSNQZSA-N 351.446 4.028 0 40 FIAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1c1nccs1 2247355 RMNLLMQERNYAJE-CQSZACIVSA-N 366.423 4.061 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Cl)cc3)NC(=O)CN21 2340399 QULWNKQFXOVUKA-ZJVMWOEPSA-N 352.865 4.286 0 40 FIAB CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 2461019 YDZLVYOCSYYLEC-UHFFFAOYSA-N 351.474 4.348 0 40 FIAB COc1ccccc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1 2723712 KALUSUGWAFDADJ-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CCC(=O)c1cccs1 3247647 JHPHJYYQFUXPSS-UHFFFAOYSA-N 373.474 4.325 0 40 FIAB Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3276284 RNKGPKUMNZCOBB-JXMROGBWSA-N 363.335 4.209 0 40 FIAB COc1cc(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc(OC)c1OC 3289154 MTEXJBZGOLQUMI-UHFFFAOYSA-N 370.232 4.200 0 40 FIAB CCCCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2OC)cc1 3289590 ZMTRQZKRSNFBHU-UHFFFAOYSA-N 371.433 4.060 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CC2)c1C 3357304 IJYHPISIGXOFPY-UHFFFAOYSA-N 361.489 4.364 0 40 FIAB COc1cccc(O)c2c(C)[n+](-c3ccc(Br)cc3)c(C)c1-2 4486925 HBSRBXIHELHQII-UHFFFAOYSA-O 359.243 4.162 0 40 FIAB CCC[C@H](C)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 4699943 QSEUIUYKRJPQNK-AWEZNQCLSA-N 370.449 4.331 0 40 FIAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816497 OZCDJXRYMOPDTN-UXHICEINSA-N 360.461 4.310 0 40 FIAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1F 4973328 BTODXGWPDSXZKB-UHFFFAOYSA-N 363.348 4.290 0 40 FIAB CCOC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H](c2ccccc2)CC[C@H]1c1ccccc1 5332691 IEYXJQVIWCATHW-FYQPLNBISA-N 352.430 4.228 0 40 FIAB O=C(Nc1cccc(I)c1)c1ccc(Cl)cc1 5749902 BAZREMLVFBVYNS-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccccc2C(C)C)cc1 5825131 ACFMQNZEFSOBOS-SIKLNZKXSA-N 369.505 4.395 0 40 FIAB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)NC(=S)N1c1ccccc1F 6414139 OSMGJNMAUTVZKV-JYRVWZFOSA-N 367.232 4.395 0 40 FIAB CCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 6963101 QKFFCSYQQQXKSL-UHFFFAOYSA-N 369.446 4.218 0 40 FIAB O=C(COc1ccccc1F)Nc1ccc2c(c1)OC1(CCCCC1)O2 8448420 GIQZZUNJTNNGBA-UHFFFAOYSA-N 357.381 4.275 0 40 FIAB COc1ccc([C@H](CC(=O)Nc2c(C)cc(C)cc2Cl)NC(C)=O)cc1 8704130 UUJGLEDCHUOIQH-SFHVURJKSA-N 374.868 4.171 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 8924885 ZNQDDYNWXSTWTF-SFHVURJKSA-N 352.409 4.118 0 40 FIAB O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Cl)cc2)CC1 9063406 NGLILXHDIPDSBC-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB COc1ccc([C@@H](NC(=O)c2ccc3ccccc3c2)c2nccn2C)cc1 9219856 VXAZKJAJFGQRJH-OAQYLSRUSA-N 371.440 4.101 0 40 FIAB COc1ccccc1Oc1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 9322527 ZOMORJMAIITTQH-AWEZNQCLSA-N 367.405 4.223 0 40 FIAB O=C(Nc1ccccc1N1CCCC1=O)c1csc(-c2cccs2)n1 9748682 QGEBDEPYHNSEIX-UHFFFAOYSA-N 369.471 4.251 0 40 FIAB O=C(N[C@@H]1CCCc2ccccc21)c1cnn(Cc2ccccc2Cl)c1 9865366 PJYOYKCGHHLEFF-HXUWFJFHSA-N 365.864 4.392 0 40 FIAB Cc1ccc(-c2cc(C(=O)OCc3coc(-c4cccs4)n3)[nH]n2)cc1 11494469 SRMQBOSGGACMKK-UHFFFAOYSA-N 365.414 4.459 0 40 FIAB Cc1ccc2nc(COc3cccc(C(=O)NCc4ccccc4)c3)cn2c1 11608321 MZOKVVNJLHDJEC-UHFFFAOYSA-N 371.440 4.152 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1 11708895 ISTQPYSQUSVLFW-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB Fc1ccc(-c2noc(CSc3nc(CC4CCCC4)n[nH]3)n2)cc1 11886006 HRESCIGJPBKOBA-UHFFFAOYSA-N 359.430 4.019 0 40 FIAB O=C(CCc1cccnc1)Nc1ncc(Cc2cccc(Cl)c2)s1 12016817 GBEMYBKYPUWMEH-UHFFFAOYSA-N 357.866 4.354 0 40 FIAB O=C1CC2(CCN(C(=O)C3CCCCC3)CC2)Oc2ccc(Cl)cc21 12146041 HZXVVOITGFGXPW-UHFFFAOYSA-N 361.869 4.247 0 40 FIAB COC(=O)C1=C(C)N(c2cc(C)ccc2C)C(=S)N[C@H]1c1ccsc1 12554405 HFAMPHZJNPBPGL-KRWDZBQOSA-N 372.515 4.248 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N(c1ccccn1)C1CCCCC1 12602167 YZZYQHPDSKJBRO-ZRDIBKRKSA-N 350.418 4.189 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12602566 LXVWKBIJKLUDOR-ZETCQYMHSA-N 364.685 4.500 0 40 FIAB CCOc1ccccc1OCC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 12790122 QDMHTRRCLFTTPP-ZDUSSCGKSA-N 367.367 4.360 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12908287 OZNSYBPEGXMNDZ-NSHDSACASA-N 367.232 4.077 0 40 FIAB Cc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)ccc12 12911458 AOPKKFWIXPCCSH-LBPRGKRZSA-N 357.793 4.161 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1csc(-c2ccc(F)cc2)n1 12998845 RHHGWIFEHNQDPQ-LBPRGKRZSA-N 356.422 4.449 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1Cl 13019429 VQQVVONDCACSKV-ZDUSSCGKSA-N 362.882 4.201 0 40 FIAB CC(C)CCC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1 13096885 KJCDTPMAKSQHGF-IYBDPMFKSA-N 366.527 4.013 0 40 FIAB O=C(COc1ccccc1C1SCCS1)N[C@@H]1CCc2ccccc21 14140452 KECZAUZKOPGLGK-QGZVFWFLSA-N 371.527 4.348 0 40 FIAB CC(C)c1n[nH]c(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n1 14201961 GONSIKIZOLLEDN-SECBINFHSA-N 372.466 4.362 0 40 FIAB C[C@@H]1Oc2c(C(=O)NCc3ccc(CN4CCCC4)cc3)cccc2[C@H]1C 14252467 CROBDJARIVZMTP-IRXDYDNUSA-N 364.489 4.097 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cc(OC)cc(OC)c2)cc1 15603617 DJHZUKBAIRMWPJ-LTSKSLEPSA-N 367.445 4.089 0 40 FIAB CCOc1ccccc1C(=O)NCc1csc(-c2ccc(C)cc2)n1 15832595 UKWWQMUHCNXTEB-UHFFFAOYSA-N 352.459 4.447 0 40 FIAB CCOc1ccc([C@H](C)N(C)C(=O)[C@@H](C)Cn2cnc3ccccc32)cc1 19532618 FCSJXIVRCFKQBY-IRXDYDNUSA-N 365.477 4.291 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1 20030093 HUZBTRMHBAWTOU-GFCCVEGCSA-N 353.447 4.013 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(Cl)cc1Cl 20457005 KMWMSVURJSLUTN-QGZVFWFLSA-N 368.260 4.476 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccco3)cc2)C1 20488584 IETSQEIOQPGYDZ-KRWDZBQOSA-N 372.534 4.175 0 40 FIAB CCCCc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236462 QKPGHIHSECACMP-UHFFFAOYSA-N 352.409 4.273 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccnn1Cc1ccccc1 23141491 QHOQHDHURRRFQL-UHFFFAOYSA-N 374.469 4.236 0 40 FIAB O=C(NCC[C@@H]1CCCO1)c1cc(-c2ccc(F)cc2)nc2ccccc12 23876155 XWUBXHRHSQEAFT-KRWDZBQOSA-N 364.420 4.340 0 40 FIAB O=C(CCCc1nc2ccccc2s1)N1CCO[C@@H](c2ccccc2)C1 23896807 OUICULVUTWGHQF-GOSISDBHSA-N 366.486 4.219 0 40 FIAB COC(=O)c1ccoc1COC(=O)CCc1ccc(-c2ccccc2)o1 24103886 DWFMFIHMJLCJNY-UHFFFAOYSA-N 354.358 4.002 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)nc1)c1ccccc1Nc1ccccc1 24901035 HRIVXRCWEQLDJB-UHFFFAOYSA-N 355.401 4.263 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662579 YGOKMHARIDVZIJ-SFHVURJKSA-N 358.507 4.104 0 40 FIAB CCc1ccc(OCc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1 27974181 AJVVMPZNXFRSAP-UHFFFAOYSA-N 353.393 4.490 0 40 FIAB Cc1cc2ncn(CC(=O)Nc3ccc(N4CCCCC4)cc3)c2cc1C 29377543 ILHWWCWDICCKIS-UHFFFAOYSA-N 362.477 4.282 0 40 FIAB COc1cc(C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc(OC)c1C 32465405 LTPFMVPIVPMKNL-UHFFFAOYSA-N 367.449 4.438 0 40 FIAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1OC 32603644 GHBTZQAWVXSTJF-UHFFFAOYSA-N 374.289 4.213 0 40 FIAB Cc1cc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)c(C)o1 32610183 YXNZGNMLXRNGPD-UHFFFAOYSA-N 357.385 4.138 0 40 FIAB Clc1cnc(N2CCN(Cc3ccc(Cl)s3)CC2)c(Cl)c1 32679053 PFCMTUQWUXIXEJ-UHFFFAOYSA-N 362.713 4.426 0 40 FIAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ncccc3Cl)ccc21 32789344 FPKNXOVBCRRYNJ-NSHDSACASA-N 360.866 4.008 0 40 FIAB O=C(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc2ccccc2c1 32908022 ZDLYBMVKPJRNAO-UHFFFAOYSA-N 354.413 4.297 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2cccs2)C3)cc1 35290314 OUFFAGFIHVQTGR-YQQQUEKLSA-N 354.519 4.372 0 40 FIAB Cc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)c(C)o1 38677967 PDFSBBMGECNHIA-UHFFFAOYSA-N 366.442 4.413 0 40 FIAB Cc1cccnc1NC(=O)COc1ccc2cc(Br)ccc2c1 40143985 SOBSKNMUMWFWAX-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 40485920 AMGUDPVWBSQIHM-OAQYLSRUSA-N 356.425 4.443 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(OC)cc1 44847873 CGMPIPBEPNDKQY-QGZVFWFLSA-N 371.861 4.058 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1cccc(C(F)(F)F)c1 45765995 BLCSMOQBKOFQRY-LLVKDONJSA-N 361.323 4.246 0 40 FIAB CCOC1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 50338952 QZHBJUMZQFLVPE-UHFFFAOYSA-N 350.871 4.105 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(SC)cc3)n[nH]2)cc1 51315521 ZIDZZPSNZGAKIH-UHFFFAOYSA-N 353.447 4.450 0 40 FIAB O=C(Nc1cccc(OC(F)F)c1)c1cccc(Nc2ncccn2)c1 53434222 BQPNHYKSOJDSQU-UHFFFAOYSA-N 356.332 4.074 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(C)ccc2C)cc1 53575298 WDZYDBQJCPICTF-UHFFFAOYSA-N 352.463 4.172 0 40 FIAB Cc1nc(C)c([C@H](C)NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)s1 54783099 SCONRDUCAKIQNA-XHDPSFHLSA-N 363.458 4.173 0 40 FIAB Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@]1(C)CC1(Cl)Cl 58377484 OCMWSBZAPCZYAK-MRXNPFEDSA-N 373.349 4.066 0 40 FIAB O=C(CSCC1CCCCC1)Nc1cc(Cl)ccc1-n1cncn1 58487529 GMJGGDOLOFDYBJ-UHFFFAOYSA-N 364.902 4.173 0 40 FIAB CCCCOc1ccc(C(=O)NC2(c3nc(C)no3)CCCCC2)cc1 65257830 PDLXZUNCLQFCTD-UHFFFAOYSA-N 357.454 4.146 0 40 FIAB Cc1ccc(-c2csc3ncnc(NCCc4nc(C)no4)c23)cc1 65529528 MAPRLLXKTBLPDZ-UHFFFAOYSA-N 351.435 4.013 0 40 FIAB O=C1CCCN1c1cccc(CNc2nc(C(F)F)nc3ccccc23)c1 66453375 UWMHPTMNKRHJFA-UHFFFAOYSA-N 368.387 4.306 0 40 FIAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)Nc1ccc(Cl)c(Cl)c1 70969639 CXXNOCXIPQSVMV-GOSISDBHSA-N 365.260 4.413 0 40 FIAB CCCN(CCO)C(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 72270432 FKPZDPJDDOFFKJ-UHFFFAOYSA-N 373.453 4.339 0 40 FIAB CCOc1cc2c(cc1CN1[C@H]3CC[C@@H]1c1cccnc1C3)O[C@H](C)C2 72341748 WWLQWJFBPPDZEB-CFLQYTFWSA-N 350.462 4.066 0 40 FIAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccco3)N1CC2 72342181 XQUWBUQWLDBLNU-FGZHOGPDSA-N 362.429 4.369 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)cc2)c(OC)c1 75957237 DODZYKOPGBOEOY-IBGZPJMESA-N 369.465 4.139 0 40 FIAB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCCC1CCCCC1 77286182 REFPRDWFDSQKAG-SFQUDFHCSA-N 361.463 4.368 0 40 FIAB in-vitro C[C@H]1CN(CCCNc2cc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 89936638 ASCLLYJBEUMKJR-OKILXGFUSA-N 367.415 4.165 0 40 FIAB O=C(c1nc2ccccc2s1)N1CCC(CSc2ccccn2)CC1 90608055 GIUMECAISOZXEA-UHFFFAOYSA-N 369.515 4.336 0 40 FIAB Cc1cccc(C(=O)Nc2c(C)cccc2-c2nc3ccccc3[nH]c2=O)c1 95945240 XHMDRHLOKJRITB-UHFFFAOYSA-N 369.424 4.459 0 40 FIAB O=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccccc3)CC2)C1 96070988 SOUJZVURYULEHG-UHFFFAOYSA-N 368.908 4.007 0 40 FIAB Cn1cc(CC(=O)N2CCS[C@H](c3cccs3)CC2)c2ccccc21 219465998 SQWVCDNSCCQRRR-IBGZPJMESA-N 370.543 4.489 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 222896627 CSHFBWYOWCBHIC-FQEVSTJZSA-N 366.461 4.172 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 222982487 WWLKAMHJEGKTBI-QRWLVFNGSA-N 371.477 4.301 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223662907 QVANQERMGNASDW-UHFFFAOYSA-N 359.491 4.462 0 40 FIAB Cc1cc(Br)cnc1NC(=S)NCCCc1ccccc1 223962133 JHWZRQPSGKMDGV-UHFFFAOYSA-N 364.312 4.072 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCC1 224782921 BDDPTHIMQUXZTB-INIZCTEOSA-N 372.896 4.020 0 40 FIAB Cc1ccc(C)c(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225818414 CYFOVAYDPJTUSK-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB CCCCCC(=O)NC(=S)Nc1c(Cl)cc(C(=O)O)cc1Cl 226354664 PHISEKCZAULCOP-UHFFFAOYSA-N 363.266 4.085 0 40 FIAB COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1[C@H]2CCCC[C@H]21 248115448 AWUPXPWPHACSGA-KXTWHKPSSA-N 350.462 4.055 0 40 FIAB Cc1cc(-c2nc(C)cs2)nc([C@@H]2CCCCN2C(=O)C(C)(C)C)n1 257243356 IGOVNUCRUNIUIP-HNNXBMFYSA-N 358.511 4.317 0 40 FIAB Cc1nc2c(C(=O)N(C)[C@H]3CCO[C@H](c4ccc(F)cc4)C3)cccc2o1 280087898 RPCWQNLRAHCLTA-LPHOPBHVSA-N 368.408 4.268 0 40 FIAB COc1cccc(-c2ccc(C(=O)N3CC[C@H](OCC4CC4)C3)cc2)c1 390830387 KSVTXFDPAGDVNJ-NRFANRHFSA-N 351.446 4.003 0 40 FIAB CCn1c2c(s/c1=N\C(=O)c1cccc(OC)c1)CCc1ccccc1-2 408562346 OZTXSFMTTVZJOY-DQRAZIAOSA-N 364.470 4.085 0 40 FIAB CCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 408713427 YHCGMGSXSMZLKY-UHFFFAOYSA-N 360.335 4.293 0 40 FIAB Cn1cc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c(C2CC2)n1 585085367 XDGUKZPCSNTBKX-LBPRGKRZSA-N 358.511 4.157 0 40 FIAB O=C(/C=C/c1cccs1)NC[C@@H](O)c1ccc(-c2cccs2)s1 606440675 OLMJGHXEOIXFBQ-OQHXTRMZSA-N 361.513 4.401 0 40 FIAB NC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)CC1 621524155 SSYTYMJYSPCXKE-UHFFFAOYSA-N 355.507 4.145 0 40 FIAB FC(F)(F)c1cccc(Oc2ccc(I)cn2)c1 685937519 IEBNSMBXGBZXGV-UHFFFAOYSA-N 365.092 4.497 0 40 FIAB Cc1noc(C)c1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615158403 QIFPVQKLXRPXLY-NRFANRHFSA-N 371.456 4.094 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3cccc(C(F)(F)F)c3)C2=O)cc1 686785 KGGZTFATNUWYIS-MHWRWJLKSA-N 360.335 4.107 0 40 FIAB CNC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCCC2 908246 SIZOPIMGSROPQR-UHFFFAOYSA-N 368.458 4.293 0 40 FIAB COc1cc2c(cc1OC)CC(C)(C)N(C(=O)c1ccccc1Cl)C2 921671 FIYRDHDYKXKRBV-UHFFFAOYSA-N 359.853 4.334 0 40 FIAB COc1ccc(NCc2cc(Br)c(OC)c(OC)c2)cc1 982863 CJWWIDAADWECBT-UHFFFAOYSA-N 352.228 4.087 0 40 FIAB CSc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1 1354038 DSVCDAHQHBVGLG-UHFFFAOYSA-N 365.458 4.263 0 40 FIAB CC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc(C)c(C)c23)CC1 1377196 UYIBRSWHVWESAI-UHFFFAOYSA-N 372.538 4.024 0 40 FIAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)no1 2720400 RMWRXTWVNRSMAE-UHFFFAOYSA-N 372.450 4.061 0 40 FIAB CC(C)N(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 4286779 ULUYGJYRNBVSSZ-UHFFFAOYSA-N 364.445 4.085 0 40 FIAB CCC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1 4847728 BJGHTBLWPFMQBA-KRWDZBQOSA-N 361.921 4.293 0 40 FIAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3Cl)=NN12 4863055 VTJAYVRBDLHSKT-LJQANCHMSA-N 367.880 4.305 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1 5240204 TUCCKQIDAZQKKK-UHFFFAOYSA-N 355.419 4.110 0 40 FIAB CCc1cc2c(cc1OC(C)C)OC[C@H](c1cccc3c1OCCO3)C2=O 5719349 QCDLNGTUPPJPBD-QGZVFWFLSA-N 368.429 4.166 0 40 FIAB CCn1c(=O)c(/C=C/c2ccc3ccccc3c2)nc2cc(C(=O)O)ccc21 7916523 KVOCYQPQLYNHQX-DHZHZOJOSA-N 370.408 4.438 0 40 FIAB CCc1ccc(-c2nc(C)c(C(=O)Nc3nnc(CC)s3)s2)cc1 8061270 VAEBQFVFECRBND-UHFFFAOYSA-N 358.492 4.347 0 40 FIAB O=C(Nc1nc(-c2cccs2)cs1)c1cccc(N2CCCC2=O)c1 8313369 SXGQWSSBMYGISY-UHFFFAOYSA-N 369.471 4.251 0 40 FIAB Cc1ccc(NC(=O)COc2c(Cl)cc(C=O)cc2Cl)c(C)c1 8369139 VNTJYHXSYZKWHO-UHFFFAOYSA-N 352.217 4.440 0 40 FIAB FC(F)n1ccnc1CSc1ncnc2sc3c(c12)CCCC3 8778761 RMZFYQSPWIIZQI-UHFFFAOYSA-N 352.435 4.454 0 40 FIAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1cccc2ccccc12 8862610 VQYPMFWODCRCTO-HXUWFJFHSA-N 350.487 4.468 0 40 FIAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccccc1C 9226165 RPUIEJAFDLXTNA-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB O=C(c1ccccc1F)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 10822412 SEVLZWCEMOCSSV-UHFFFAOYSA-N 367.420 4.065 0 40 FIAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1 11913952 YTBHLCUATBTIHQ-UHFFFAOYSA-N 357.410 4.385 0 40 FIAB COC(=O)c1cc(-c2ccc(F)cc2)nc2c1cnn2-c1ccccc1F 12397209 DQHBGKHGPIHZCF-UHFFFAOYSA-N 365.339 4.152 0 40 FIAB CSCC[C@H](NC(=O)Cc1ccccc1C)c1nc2ccccc2[nH]1 12535904 PUFPBMSHICLJEH-SFHVURJKSA-N 353.491 4.024 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN(Cc1ccc(F)cc1)C1CC1 12764096 BBTPSDMHXYISMX-UHFFFAOYSA-N 362.832 4.091 0 40 FIAB COc1cccc(-c2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)on2)c1 12849242 NCXHGIDKIBUSAX-UHFFFAOYSA-N 366.461 4.296 0 40 FIAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)C 13711926 HXCHHUBYZXPZRI-UHFFFAOYSA-N 364.445 4.034 0 40 FIAB Cc1ccc(C(=O)Cn2cc(-c3ccc(Cl)cc3)[n+]3c2CCC3)cc1 13768878 XEOYODXJOQUMJK-UHFFFAOYSA-N 351.857 4.234 0 40 FIAB CCOC(=O)c1c(NC(=O)CNc2cc(C)ccc2F)sc(C)c1C 14112089 CMNWUWWSNOCEIZ-UHFFFAOYSA-N 364.442 4.040 0 40 FIAB COc1c(-c2ccc(O)cc2)oc2cc(O)c(CC=C(C)C)c(O)c2c1=O 14762757 VVXGFIWLFZMBCJ-UHFFFAOYSA-N 368.385 4.094 0 40 FIAB biogenic,in-vitro O=C(CSc1nc(-c2ccccc2)cs1)N1C(=O)Cc2ccccc21 16493360 VTYVZXAHTJRGOI-UHFFFAOYSA-N 366.467 4.018 0 40 FIAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)c1 17010694 CPACQFHVSUIBSR-UHFFFAOYSA-N 372.494 4.005 0 40 FIAB c1ccc(Oc2cccc(CN3CCN(Cc4cccnc4)CC3)c2)cc1 19877305 UBFHWVSEKJUEFQ-UHFFFAOYSA-N 359.473 4.192 0 40 FIAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccnc1Cl 20143561 WNOHOWIZKWFKCE-UHFFFAOYSA-N 363.200 4.393 0 40 FIAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1 21580723 UCYXRWMXSJXJSB-UHFFFAOYSA-N 373.412 4.256 0 40 FIAB Cc1cc(C)c([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)CCC3)cc1C 22606042 JKRKIXHVIRFGRN-QGZVFWFLSA-N 374.484 4.364 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@@H](Nc1cccc(CO)c1)c1ccccc1 25427137 FQFISPVYCURSBX-FQEVSTJZSA-N 350.393 4.110 0 40 FIAB COc1ccc(CCN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 27055171 LWLWSAKDLSRXHY-HXUWFJFHSA-N 353.462 4.236 0 40 FIAB CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2C2CC2)n1 27813449 UJFYHLZVPLZMEC-LLVKDONJSA-N 356.451 4.091 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 28292212 ABWCRBGXCPQNFU-OAHLLOKOSA-N 369.852 4.299 0 40 FIAB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 29291567 PINGTWFDTNOHJW-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB CC[C@@H](NC(=O)c1cccc(NC(C)=O)c1)c1ccccc1OC(F)F 31756115 SSCDNMJAIFFJOY-MRXNPFEDSA-N 362.376 4.128 0 40 FIAB COc1ccccc1OC(=O)N[C@H]1c2ccccc2O[C@H]2CCCC[C@@H]21 32109795 UXLAGYWHKLXIQR-KNBMTAEXSA-N 353.418 4.476 0 40 FIAB Cc1cccc(Cn2cc(NC(=O)c3cc(F)c(F)cc3Cl)cn2)c1 32610066 SHBULXGRJASZOW-UHFFFAOYSA-N 361.779 4.424 0 40 FIAB O[C@@H](CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccccc1 32934933 CPEQISGBPFTTCD-IBGZPJMESA-N 374.469 4.155 0 40 FIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)C12CC3CC(CC(C3)C1)C2 36079712 VNRXOYIJPVDCSI-FCSDKFEESA-N 352.522 4.156 0 40 FIAB O=C(NOCc1ccccc1)c1nc(-c2ccccc2)n2c1CCCCC2 40086609 DFAQDYWFJGXYKT-UHFFFAOYSA-N 361.445 4.138 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)[C@H](Oc1ccccc1)c1ccccc1 40128842 VLYZBOFTMZCSGY-MRXNPFEDSA-N 351.431 4.174 0 40 FIAB COc1ccc(OC)c(NC(=O)N(C)Cc2c(F)cccc2Cl)c1 43280217 VYCYVEBRSHWFHD-UHFFFAOYSA-N 352.793 4.160 0 40 FIAB O=C(Nc1ccccc1)[C@@H](Nc1ncnc2sccc12)c1ccccc1 54389254 IAXFCPQMJSGNJG-KRWDZBQOSA-N 360.442 4.483 0 40 FIAB Cc1nc(C)c([C@H](C)NC(=O)N[C@H]2CCCOc3ccc(F)cc32)s1 54783102 SCONRDUCAKIQNA-NHYWBVRUSA-N 363.458 4.173 0 40 FIAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(C1CC1)CO3 57134982 FZQXOUBYHCPKDL-UHFFFAOYSA-N 353.805 4.428 0 40 FIAB CCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 57301806 XVELDBZHBLEZHS-RZUBCFFCSA-N 353.462 4.465 0 40 FIAB COCc1cccc(C(=O)Nc2ccc(Sc3ncccn3)cc2C)c1 69394250 UFPZVDHGAIJTJA-UHFFFAOYSA-N 365.458 4.335 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72358075 GAGZTUUIMHIIEH-IBGZPJMESA-N 363.486 4.415 0 40 FIAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3cccc(F)c3F)C2)n1 72369946 UOYANZAEXYWYSI-HNNXBMFYSA-N 355.388 4.313 0 40 FIAB CCN(CC)[C@H]1Oc2cc3c(cc2[C@@H](c2ccc(OC)cc2)[C@H]1C)OCO3 73336481 WWDZZJZRKOMCFQ-ZLUZWTFRSA-N 369.461 4.252 0 40 FIAB Cc1c([C@@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)oc2ccccc12 84068144 OIMCFSVTTUFJAN-YJYMSZOUSA-N 366.392 4.251 0 40 FIAB Cc1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)cc1 84150625 GELSRQYEHFSQHO-SFHVURJKSA-N 358.869 4.491 0 40 FIAB Cc1cccc(C2(C(=O)N[C@@H](C)[C@H](O)c3cccc(F)c3)CCCC2)c1 89669193 BBNGQKFLOSEOHM-JXFKEZNVSA-N 355.453 4.184 0 40 FIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc(F)c1 95115871 YDMHQOLBOQJNBG-QGZVFWFLSA-N 361.214 4.286 0 40 FIAB Cc1nc2c(cc(OCC(=O)N(C)CC(F)(F)F)c3ccsc32)s1 95949667 SZASRAYXTDSEDZ-UHFFFAOYSA-N 374.409 4.219 0 40 FIAB COc1ccccc1Nc1nc(-c2cc3cccc(O)c3oc2=O)cs1 96007012 OVBCXWUQDLXWNW-UHFFFAOYSA-N 366.398 4.374 0 40 FIAB Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccsc5)no4)c3CO2)cc1 97077503 INVWMWBKFWUMCN-HNNXBMFYSA-N 368.393 4.072 0 40 FIAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1sc(Cl)nc1C 97165022 DEWAFSBGBROQIC-UHFFFAOYSA-N 352.887 4.172 0 40 FIAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(N2CCCC2)nc1 107926591 SHPNUFLYBDMQIM-INIZCTEOSA-N 367.493 4.385 0 40 FIAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 180146120 NWYVIPXMHWFNRP-UHFFFAOYSA-N 372.490 4.194 0 40 FIAB CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1 216231916 CNPKLWVLJWXSGF-ZDUSSCGKSA-N 361.463 4.222 0 40 FIAB COc1ccc(/C=C/C(=O)O)cc1OCc1cccc(Br)c1 216897442 ADRZKIPPZVGBSM-SOFGYWHQSA-N 363.207 4.135 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)c1ccc(OC)c(OC)c1 218974026 GDXRRPKONZDDKS-QAPCUYQASA-N 357.450 4.047 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1C 219288558 YOBNOQCUNODUIG-SFHVURJKSA-N 355.478 4.300 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC(C)(C)C 223358488 PBCHQZKEVUTGKZ-MRXNPFEDSA-N 352.906 4.162 0 40 FIAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224471074 KCQQGGPSNVJCBP-ROUUACIJSA-N 368.893 4.251 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)ccc1F 224905114 KNDUKNYIUNQLIS-RBUKOAKNSA-N 366.465 4.045 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)s1 225079534 JKZWFFXLOBDPTB-CQSZACIVSA-N 365.524 4.453 0 40 FIAB CC(C)c1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1 225452438 BAXVHUSVVSHHIR-UHFFFAOYSA-N 350.491 4.482 0 40 FIAB CCCOC(C)(C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225837643 LAVDCECKBJJVNG-AWEZNQCLSA-N 365.470 4.184 0 40 FIAB Clc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)nc1 257272652 NDHQLLXDEKXQRA-QGZVFWFLSA-N 366.856 4.001 0 40 FIAB CCOc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)O2)cc1 409008813 KEEVDVAEDSFNSC-WJDWOHSUSA-N 372.218 4.192 0 40 FIAB Cn1cc(NC(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)c(C2CC2)n1 517387671 IAUJCCNHGIWFBJ-HXUWFJFHSA-N 356.445 4.066 0 40 FIAB Cc1nn(CCNC(=O)c2ccc(Cl)s2)c(C)c1-c1ccsc1 575615729 UFOCAIWRNOEFBE-UHFFFAOYSA-N 365.911 4.373 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)Nc1ccccc1Cl 618255453 CTAZIXQPTBLPQF-KRWDZBQOSA-N 356.809 4.455 0 40 FIAB O=C(Nc1cccc(-c2cccc(Cl)c2)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 626558072 KLTDGAXKHMRKDO-MJXNMMHHSA-N 356.853 4.384 0 40 FIAB NC[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3ccc(Cl)cc3)s1)C2 653196987 IOWLUKCKNCEQGE-LIRRHRJNSA-N 360.910 4.270 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)/N=c2\cc[nH]n2C(C)C)c(C)c1 1775986249 LJXVIMFVSTWRNY-PTGBLXJZSA-N 366.490 4.301 0 40 FIAB Cc1ccnc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)c1 2037845550 AVPZDGGHDWBVDQ-UHFFFAOYSA-N 366.440 4.324 0 40 FIAB CCC1(CC)C(=O)C(C)(C)C(=O)O[C@H]1c1cn(C(C)=O)c2ccccc12 1080897 KLLSZIMKPHEVNM-KRWDZBQOSA-N 355.434 4.301 0 40 FIAB COc1ccc([C@H]2C=C(C)Oc3c2c(=O)oc2ccccc32)cc1OC 1755445 JSCAHMURLASJNA-OAHLLOKOSA-N 350.370 4.238 0 40 FIAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=S)NC1CCCCC1 2328271 IWIAKZZTUZWUKE-UHFFFAOYSA-N 363.458 4.103 0 40 FIAB CC(=O)N(c1ccc(Cl)cc1)[C@@H]1SC(=O)N(c2cccc(C)c2)C1=O 3196667 XCYZHMJSFBUZBD-QGZVFWFLSA-N 374.849 4.227 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)NCCc1ccc(Cl)cc1 3422765 YHALTNRSYWGMCY-UHFFFAOYSA-N 356.878 4.365 0 40 FIAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1cccc(F)c1 3467904 YWCVFDLGPSOWCU-UHFFFAOYSA-N 363.797 4.489 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(Cl)cn2)cc(OCC)c1OCC 3618655 VCVGIUMCUADENY-UHFFFAOYSA-N 364.829 4.183 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(Cl)cc1 4003167 OIXDYEKKMCIQAB-UHFFFAOYSA-N 353.731 4.347 0 40 FIAB CC[C@@H](C)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 4240279 VHZUUIWBAYOCDD-JLTOFOAXSA-N 367.445 4.415 0 40 FIAB COc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 4539994 MVSVFXNBYFNJKL-OAQYLSRUSA-N 373.408 4.402 0 40 FIAB CC[C@H](C)NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 4657258 AUQGVXKNGBPBLB-JTQLQIEISA-N 373.400 4.152 0 40 FIAB COc1cccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCC2)c1 4857138 HZRCWJHNAMTTQK-JLYLLQBASA-N 373.566 4.310 0 40 FIAB Clc1nc2ccccc2c(N2CCOCC2)c1CNC1CCCCC1 5017395 JUWXICCRFGPBNG-UHFFFAOYSA-N 359.901 4.147 0 40 FIAB CCCC(=O)N(Cc1ccccn1)c1nc2c(OC)ccc(OC)c2s1 5265367 ACIHTHYVAPBEMN-UHFFFAOYSA-N 371.462 4.042 0 40 FIAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1ccc2c(c1)OCO2 5325445 AYSOEWZABDDVCQ-LLVKDONJSA-N 372.471 4.410 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Cl)cc3)NC(=O)CN21 5377174 QULWNKQFXOVUKA-RQWLHQTBSA-N 352.865 4.286 0 40 FIAB C[C@@H](NC(=O)c1cncc(Br)c1)C12CC3CC(CC(C3)C1)C2 5444010 HSIQUGULQWDPSB-HDPALTEOSA-N 363.299 4.179 0 40 FIAB Cc1cccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCC2)c1 5483753 LIAHQNMMHSRXBF-DKUDOZJNSA-N 374.484 4.243 0 40 FIAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 6067131 MHWUMZUIMRPPKU-KRWDZBQOSA-N 366.486 4.176 0 40 FIAB CC[C@H](C)NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 6120958 OFFICISTRSUNPL-AWEZNQCLSA-N 364.445 4.447 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 6241165 SQBQNWQAGARFRJ-UHFFFAOYSA-N 371.742 4.083 0 40 FIAB Cc1ccc(-c2nnc3n(Cc4ccccc4)c(=O)c4ccccc4n23)cc1 6781141 PYLADQZJAQBJLM-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB c1ccc(-c2cnc(COc3ncnc4c3cnn4-c3ccccc3)o2)cc1 6787673 BPHDRIMQXVIKDK-UHFFFAOYSA-N 369.384 4.050 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1c(OC)cccc1OC 6938525 TZPXHHDDJJMART-CYBMUJFWSA-N 372.490 4.344 0 40 FIAB C[C@H](SCc1ccc(Cl)cc1)C(=O)NC(=O)NC1CCCCC1 7003766 XIHVJHPEIHJUJF-LBPRGKRZSA-N 354.903 4.120 0 40 FIAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NC1CCCC1 7035958 MEYNOFBQVGFCEE-UHFFFAOYSA-N 357.837 4.009 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)s2)n1C 7236724 BXGCNTSAWJXDRC-UHFFFAOYSA-N 353.856 4.073 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2)c1C 7408104 VNBLIDLDFRDJSA-UHFFFAOYSA-N 364.367 4.033 0 40 FIAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1 7765724 JTDUCKAATGIYHT-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1c(F)cccc1F 7922179 DHIXJTIVERZQCF-NSHDSACASA-N 361.417 4.206 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 7985502 AUDFVGKESRITAZ-BJMVGYQFSA-N 359.372 4.283 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nnc(CC(C)C)s1 7996172 LVJDWOJBRPKWQL-UHFFFAOYSA-N 358.492 4.421 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1 8035113 IKYCJZIRJLAJSL-SECBINFHSA-N 356.166 4.133 0 40 FIAB COc1ccc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cn1 8078017 RYJNKRCHJYRZDA-UHFFFAOYSA-N 360.413 4.359 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)cc1 8324440 GOAGKGUKSXDCMC-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N2CCC2)cc1 8746039 XJDHQXRXJKGYGE-OUKQBFOZSA-N 357.457 4.152 0 40 FIAB O=C(CCNc1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 8783566 QZFRLAUNLHPOOH-UHFFFAOYSA-N 358.441 4.302 0 40 FIAB CC(C)[C@H](NCc1cc(=O)n2ccccc2n1)c1ccc(C(C)(C)C)cc1 9052169 QCXBWTYVVACKDI-QFIPXVFZSA-N 363.505 4.479 0 40 FIAB COc1ccc2cc(CNC(=O)N(C)Cc3cccc(F)c3)ccc2c1 10495202 YLLAMAXHDXCRRE-UHFFFAOYSA-N 352.409 4.329 0 40 FIAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCc1ccccc1 12539614 DCGQNENGMWDMIN-MRXNPFEDSA-N 359.429 4.363 0 40 FIAB CCc1ccc2c(CN(C)CCOc3ccccc3C)cc(=O)oc2c1 12931556 QIBAGSPIYICSGL-UHFFFAOYSA-N 351.446 4.175 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(C)cc2)cc1O 13570940 IZNFRABSZSHYSO-INIZCTEOSA-N 363.417 4.327 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cc(F)ccc3F)c2C1 15005571 HXTCNERKAJNSTH-UHFFFAOYSA-N 367.399 4.143 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)C1CCC(C(=O)N[C@H]2CCCC[C@H]2C)CC1 15662270 RHAQYANXPOZLJB-JUGVEWJMSA-N 362.558 4.183 0 40 FIAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(-c2ccccc2F)o1 16106098 KHSJZHAXJKVCGB-UHFFFAOYSA-N 364.376 4.465 0 40 FIAB COc1ccc(NC(=O)c2ccc3[nH]cnc3c2)cc1Cc1ccccc1 16273941 SAPOUHRDLFBLCU-UHFFFAOYSA-N 357.413 4.415 0 40 FIAB Cc1cccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)c1C 17135657 LBAOFUVTVNNETB-UHFFFAOYSA-N 372.494 4.005 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)C1c2ccccc2Oc2ccccc21 18156084 DULLMEZIQJMPSO-UHFFFAOYSA-N 373.408 4.312 0 40 FIAB COc1ccc(NC(=O)c2cc(C3CCN(C4CCCC4)CC3)no2)cc1 19556678 SFSYTXHTYSEMPR-UHFFFAOYSA-N 369.465 4.058 0 40 FIAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2C2CCCC2)n1 19690463 VYBVPRYJXPFKQF-LJQANCHMSA-N 354.473 4.428 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC 20488941 CDSFDPQROZNWLO-OLZOCXBDSA-N 363.841 4.002 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2cccc(Cl)c2)cc1C 20899458 ZZLGFKLTSHJQKZ-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)c1cccs1)CC3 23134774 PVZTYLHAFXVDQV-UHFFFAOYSA-N 352.459 4.086 0 40 FIAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc(F)cc(F)c1 24932587 IGQJNAKEXHXBFA-LJQANCHMSA-N 367.399 4.017 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C 27580516 DMWVJFAHDMLFSK-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C(F)(F)F)cc1C 27975051 KUVRLCWRXNDGNU-CQSZACIVSA-N 351.368 4.406 0 40 FIAB Cc1cc(C)nc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)n1 27975089 IQSSNLRQXMWPEQ-UHFFFAOYSA-N 357.797 4.171 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccccc2)n1 27993485 YLWNDSIECJUJAZ-CQSZACIVSA-N 370.449 4.075 0 40 FIAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cc(Br)cn1 28224153 KNKKVWHQDPIDLQ-ZETCQYMHSA-N 363.042 4.152 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N(C)[C@@H](C)c2ccccc2)cc1 31037208 OUKACORUVHSAMM-INIZCTEOSA-N 353.466 4.184 0 40 FIAB Oc1c(Br)cc(CNC2CCCCC2)cc1Br 31628772 VGIXVTSXEOANPD-UHFFFAOYSA-N 363.093 4.340 0 40 FIAB COc1ccc(F)cc1C(=O)CSc1nc(CCC2CCCC2)n[nH]1 31797599 ZZPNDCZSZOTWRY-UHFFFAOYSA-N 363.458 4.050 0 40 FIAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2cc(C)ccc2[nH]1 33064000 DMECRBLTZZPGCC-UHFFFAOYSA-N 366.486 4.271 0 40 FIAB COc1ccc(CN(C[C@@H](O)c2ccccc2Cl)C2CC2)c(OC)c1 40105718 BTFNCFFZWYFVPD-LJQANCHMSA-N 361.869 4.055 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C(F)(F)F)cc1 40155824 JFNBLEDINWBHGP-QGZVFWFLSA-N 369.408 4.066 0 40 FIAB C[C@@H](NC(=O)Cc1cc2ccccc2[nH]c1=O)c1ccc2ccccc2c1 47049248 DVCHIXHVNWSCRY-OAHLLOKOSA-N 356.425 4.101 0 40 FIAB COc1ccc(-c2nc(N)cc(Nc3ccc(C)c(Cl)c3)n2)cc1OC 49468182 KOLPQDHDKBGMDX-UHFFFAOYSA-N 370.840 4.448 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCC1(c2ccccc2)CCOCC1 49513168 AJZJBELOLXJRFI-ZHACJKMWSA-N 355.865 4.218 0 40 FIAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)ccc1OCc1ccccc1 49547683 XRWFFIORSTWYCT-INIZCTEOSA-N 363.417 4.131 0 40 FIAB Cc1ccccc1[C@H]1CC(c2ccco2)=NN1S(=O)(=O)c1ccccc1 49550043 BKNVZXCEXQDQOQ-LJQANCHMSA-N 366.442 4.128 0 40 FIAB CCc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364429 VEGQUJJOSDYZCE-LJQANCHMSA-N 358.441 4.408 0 40 FIAB COC1CCN(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)CC1 54021853 YFNWJLDUOJHRAV-NRFANRHFSA-N 364.445 4.343 0 40 FIAB COCc1ccccc1C(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 55804657 OVZYMMYEOALFSN-UHFFFAOYSA-N 374.868 4.125 0 40 FIAB CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)c1cccc(C)c1 57477085 BWTQKJAADGLJFE-UHFFFAOYSA-N 365.433 4.069 0 40 FIAB COc1ccc(C2(NC(=O)Nc3nnc(C4CC4)s3)CCCC2)cc1 58157418 XDOFIHASGDJGCV-UHFFFAOYSA-N 358.467 4.015 0 40 FIAB c1ccc(COc2ccc(CSc3nnc(-c4ccc[nH]4)o3)cc2)nc1 58209815 DOTBJDCIRFDFHW-UHFFFAOYSA-N 364.430 4.331 0 40 FIAB CN1CCCc2cc(NC(=O)NCc3cc(-c4ccccc4)no3)ccc21 64562498 TXNFVRVRSIQPGL-UHFFFAOYSA-N 362.433 4.046 0 40 FIAB COc1ccc(CCCNC(=S)Nc2ccc(C)cc2C)cc1OC 64936524 OMOYYRNEFMOHJL-UHFFFAOYSA-N 358.507 4.240 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3ccc([S@](C)=O)cc3)cn2)cc1 65492486 ITZWTTJWTICBHJ-AREMUKBSSA-N 366.442 4.172 0 40 FIAB CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 71282918 CKBMFRQFPORMAX-IBGZPJMESA-N 354.494 4.006 0 40 FIAB Cc1nc(-c2ccccc2F)sc1CNC(=O)Cc1ccc(F)cc1 85470985 HLNBOEAZBGAGEJ-UHFFFAOYSA-N 358.413 4.256 0 40 FIAB O=C(Nc1ccc(F)cc1Br)N1CC=C(C(F)(F)F)CC1 89768441 PLNTZSLPLJKOSI-UHFFFAOYSA-N 367.140 4.315 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@H](Oc2ncc(C(F)(F)F)cc2Cl)C1 91351808 RRJLLSOFCVYKRT-JTQLQIEISA-N 366.767 4.142 0 40 FIAB Cc1cc(N[C@@H](CC(C)(C)C)C(F)(F)F)n2nc(C(F)(F)F)nc2n1 95993865 DCYPXTHWTDMMQS-QMMMGPOBSA-N 369.313 4.231 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5C[C@H](C)O[C@H](C)C5)(C4)C2)C3)cc1 102757195 QHMHZANMOFTVBP-LSOFFMHPSA-N 367.533 4.469 0 40 FIAB CC(C)Sc1ccccc1C(=O)NCc1nc(-c2cccs2)no1 194738412 IFVODIPNRGNKLY-UHFFFAOYSA-N 359.476 4.229 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1Cl 216188274 QBZGKQVLNYYPHZ-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC(C)C 222702811 DNTGDHUCILOSMQ-HNNXBMFYSA-N 359.297 4.035 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223763238 LLPLNVIXGSFWFQ-MRXNPFEDSA-N 371.437 4.449 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NCC(C)C 224737975 AJLAETLSWUHMPC-QGZVFWFLSA-N 352.906 4.020 0 40 FIAB Cc1cc(C)cc(NC(=S)NCc2ccccc2-n2ccnc2C)c1 225448674 PRICRPJAQCRQSG-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2c(c1)CCCC2 225635213 FSEUTQNFAGGZMK-UHFFFAOYSA-N 367.836 4.199 0 40 FIAB O=C(c1cccs1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257263249 LPAHCDIMSQKECG-MRXNPFEDSA-N 356.422 4.443 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2cccc3cccnc23)C1 257343552 ZTLPKCUKABFGAM-OAHLLOKOSA-N 351.475 4.095 0 40 FIAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(C)c1-c1ccc(OC)cc1 409204929 DLIPCBNNAVPTJF-DQRAZIAOSA-N 366.486 4.374 0 40 FIAB O=C1N[C@H](C[C@H]2CCCc3ccccc32)C(=O)N1c1cccc2cccnc12 552774331 IADLBRMVZTZASR-IEBWSBKVSA-N 371.440 4.170 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3c(C4CC4)cnn3C)n2)c(F)cc1F 622819982 LXWKJHORVMTHBF-UHFFFAOYSA-N 374.416 4.260 0 40 FIAB Cc1ccn(-c2ccccc2NC(=O)N2CC3(CC=CC3)[C@H]2C(C)C)n1 646306699 MOMOGABPWYLBIC-LJQANCHMSA-N 350.466 4.389 0 40 FIAB Cc1nnc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)s1 653921023 FHGAEICYFRJKJL-UHFFFAOYSA-N 366.437 4.001 0 40 FIAB Clc1cccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)c1 641690 BZYPPRPMMHZVDJ-CQSZACIVSA-N 370.821 4.019 0 40 FIAB CC(=O)c1ccc(NC(=O)c2sc3nc4ccccc4cc3c2N)cc1 643054 IMQNTJOSBZGWHK-UHFFFAOYSA-N 361.426 4.487 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1cc(C)on1)C3=O 704046 BZAOBGGFMLDYKF-LJQANCHMSA-N 372.380 4.148 0 40 FIAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 753028 FYPMEHDCULDCCK-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 842021 GXYZPRKXMHEHHK-YCIYHOANSA-N 365.432 4.257 0 40 FIAB biogenic Nc1c(-c2ccccc2)cnc2c(-c3cccc(Br)c3)cnn12 1094431 JLWUOJWSZLZVEB-UHFFFAOYSA-N 365.234 4.408 0 40 FIAB COc1ccc(C(=O)n2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1 1389018 SILXFJMHNVNEHA-UHFFFAOYSA-N 361.426 4.371 0 40 FIAB O=C(Nc1cccc(Br)c1)c1ccccc1Br 1421971 QEWGQQJSLQDAPR-UHFFFAOYSA-N 355.029 4.464 0 40 FIAB CCOc1ccc2oc(C(=O)OCc3ccc4c(c3)OCO4)c(C)c2c1 2641942 JITSEQQVLCFUEQ-UHFFFAOYSA-N 354.358 4.226 0 40 FIAB CC(=O)Oc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 2748796 BZKMSHGWQSXHDB-UHFFFAOYSA-N 361.397 4.443 0 40 FIAB CCOC(=O)CCSc1nc(-c2cccs2)cc(C(F)(F)F)n1 2807518 HFLYAVURUOTEDT-UHFFFAOYSA-N 362.398 4.269 0 40 FIAB CCc1ccccc1OCC(=O)OCc1csc(-c2ccccc2)n1 3247444 ORPTVRDLVRLJBN-UHFFFAOYSA-N 353.443 4.495 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c(C)c1 3383209 QFBLFONEZIUSRS-FQEVSTJZSA-N 352.459 4.179 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3423665 IHWYHYDVXUZCOJ-OAHLLOKOSA-N 374.843 4.278 0 40 FIAB CCOc1ccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1 4120611 GLLCUVJZNSOVNX-UHFFFAOYSA-N 374.893 4.484 0 40 FIAB COc1ccc(Cl)cc1NC(=O)C[C@H](C)n1nc(C)c(Cl)c1C 4937330 NCPUTDNOMIAGEV-VIFPVBQESA-N 356.253 4.405 0 40 FIAB Clc1cccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 4941991 OZXJGCNLHVFWDA-UHFFFAOYSA-N 372.904 4.249 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(c2ncccn2)C1 4966193 UROSSZFQQINFKF-KRWDZBQOSA-N 374.444 4.124 0 40 FIAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 6083249 HKQCSUZQBNVMJB-UHFFFAOYSA-N 366.442 4.217 0 40 FIAB CC(C)/N=C1\S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1C(C)C 6324891 XULXTZGBJMJENF-QWTILCQQSA-N 367.858 4.337 0 40 FIAB Cc1cc(C(=O)Nc2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c2n1 6772719 UDEILWYBBKIPRW-UHFFFAOYSA-N 360.392 4.429 0 40 FIAB COc1ccccc1OCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 7341989 URGIGRACCKLGJM-UHFFFAOYSA-N 361.854 4.305 0 40 FIAB Cc1ccc2nc(CN(C)C(c3ccccc3)c3ccccc3)cc(=O)n2c1 7623937 NVZLWNAQBBKYSQ-UHFFFAOYSA-N 369.468 4.224 0 40 FIAB CSc1nsc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)n1 8343793 YSBYCMONEHWZFG-NTCAYCPXSA-N 353.472 4.439 0 40 FIAB COc1ccccc1C(=O)N(C)c1ccccc1C(=O)NC1CCCCC1 8375240 MBAJHSYGNLORDQ-UHFFFAOYSA-N 366.461 4.034 0 40 FIAB CCOc1cc(C(=O)Nc2cccc([C@H](C)O)c2)cc(OCC)c1OCC 8382866 CKCQGBZIWDTIQO-AWEZNQCLSA-N 373.449 4.188 0 40 FIAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O 8434234 WSXVITSEVRXXSB-UHFFFAOYSA-N 370.408 4.302 0 40 FIAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062566 YDENHYKSRLQUJA-GOSISDBHSA-N 366.505 4.093 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)Cc3ccc(SC)cc3)nc12 10252404 UGZCMQASRGNYRH-UHFFFAOYSA-N 374.487 4.217 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 10423815 IVAOHQRUPAVKMC-SFHVURJKSA-N 354.837 4.034 0 40 FIAB COc1ccc2cc(COC(=O)COc3ccccc3)c(Cl)nc2c1 10732209 DYLCCWKHXHFYBX-UHFFFAOYSA-N 357.793 4.019 0 40 FIAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)c(F)c1 12763550 ZOUHLNGTXXCDOM-OAHLLOKOSA-N 358.432 4.442 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(F)c1 12766072 NVJVTTFGYOKGKH-UHFFFAOYSA-N 371.330 4.430 0 40 FIAB Cc1nc(S[C@@H](C)c2nnc(-c3cccs3)o2)c(C(N)=O)c(C)c1C 12905961 PVUXDPDWUFVGRX-NSHDSACASA-N 374.491 4.071 0 40 FIAB Cc1ccccc1CNC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 12946583 ZFQPYVDQYIHPEJ-OAQYLSRUSA-N 368.477 4.353 0 40 FIAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccccc3F)o2)cc1C 12979880 HOXHGOWDEHFRED-UHFFFAOYSA-N 352.409 4.347 0 40 FIAB COc1cc(C)c(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1OC 14712066 GXXMDHDHMGUCDC-RMKNXTFCSA-N 363.360 4.266 0 40 FIAB Cc1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)c(C)n1C1CC1 16695763 CRSNVFMWXBTXSF-UHFFFAOYSA-N 368.477 4.034 0 40 FIAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3ccccc3F)C2)on1 19120797 UFDRLUHGLYVDTL-CQSZACIVSA-N 358.442 4.020 0 40 FIAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2ccccc2)c1C 19558209 IAYJKEGJDLHKIF-SFHVURJKSA-N 364.449 4.059 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NCc2nc(-c3cccs3)no2)c1 24360678 FQAIIHJUDBXQEQ-UHFFFAOYSA-N 356.451 4.395 0 40 FIAB Cc1ccc(CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1Cl 24702027 BSLILIMGLDLIEG-UHFFFAOYSA-N 356.853 4.347 0 40 FIAB O=C(Nc1ccc(C(=O)Nc2cnc3ccccc3c2)s1)c1ccco1 25533928 IIMZVWVPMNWDNU-UHFFFAOYSA-N 363.398 4.394 0 40 FIAB CCCCNC(=O)Nc1cccc(-c2noc(-c3ccccc3F)n2)c1 28221727 DQEXLVQOEHRJED-UHFFFAOYSA-N 354.385 4.464 0 40 FIAB Nc1c(Cl)cc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1Cl 28818691 ZKYIFVXSVLMOST-UHFFFAOYSA-N 365.195 4.153 0 40 FIAB COc1ccc([C@@H](C)NC(=O)COc2ccccc2C(F)(F)F)cc1F 32816347 MXERTHXJVHYLSN-LLVKDONJSA-N 371.330 4.109 0 40 FIAB Cc1c(-c2ccc(Br)cc2)nc2sc(C(=O)O)c(C)n12 33418043 BANPRWUQPNYGPI-UHFFFAOYSA-N 351.225 4.140 0 40 FIAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)c(C)c1 37383639 APNBMHSZZDHDEM-UHFFFAOYSA-N 360.317 4.101 0 40 FIAB Cn1ccnc1COc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)cc1 40154675 SQTUKRURAKGGCB-SFHVURJKSA-N 367.474 4.038 0 40 FIAB O=C(c1cccc(CN2CCOCC2)c1)c1ccc(Cl)c(Cl)c1 43211036 NLQZLHFWYWWHMP-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB Cc1ccc(CN(C)C(=O)c2cc3c(F)cc(Br)cc3[nH]2)o1 46317492 KVTCIRVIIRTEAM-UHFFFAOYSA-N 365.202 4.243 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(OC(F)F)cc2)N1c1ccncc1 48374410 OEJPACJRQDPMJQ-GOSISDBHSA-N 367.355 4.454 0 40 FIAB Cc1nn(C)c2c1[C@H](c1ccc(OC3CCCC3)cc1)SCC(O)=N2 49545881 OQFZVCPZFSMMNE-SFHVURJKSA-N 357.479 4.474 0 40 FIAB O=C(Nc1cccc2ccccc12)N(Cc1ccncc1)C[C@@H]1CCCO1 58196600 JAIMHQMHYHIQKY-IBGZPJMESA-N 361.445 4.448 0 40 FIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(F)cc1)C3 61997677 XYMVGSSOMDXKAD-UHFFFAOYSA-N 353.393 4.209 0 40 FIAB biogenic COc1ccc(S(=O)(=O)N2CC[C@@H](C)Sc3ccccc32)cc1C 65551967 AWUYZCDIBQEITL-CQSZACIVSA-N 363.504 4.083 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1ccc2ccccc21)CC3 96114749 KQJOTRBNSBFLSW-UHFFFAOYSA-N 373.456 4.106 0 40 FIAB biogenic Cc1ccc(-c2nc(CN3CCN(c4ccc(F)cc4)CC3)cs2)o1 96524740 HIZGVILPVNUCPS-UHFFFAOYSA-N 357.454 4.173 0 40 FIAB C[C@@H](C(=O)NCc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1 98073318 DXFWCIZWDHILOK-MRXNPFEDSA-N 361.416 4.477 0 40 FIAB CCc1ccc(N[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 101277050 YDSIBHXWFYKFSU-CQSZACIVSA-N 363.244 4.300 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2cccc(F)c2)C[C@@H](c2ccccc2)C1 102595524 WYBVYEXCCWRPDB-QRWLVFNGSA-N 360.392 4.482 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 218924989 YPKUNYRJVQZYKM-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CC(=O)Nc1ccc(C(=O)N2CCS[C@H](c3ccccc3F)CC2)cc1 219078426 KBPMWRFPAUIDFP-IBGZPJMESA-N 372.465 4.105 0 40 FIAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C(C)C 223305359 UZPHECVTBJSCCI-AWEZNQCLSA-N 365.470 4.306 0 40 FIAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1OC 224238292 DWEQFWRNHWGSDG-UHFFFAOYSA-N 369.461 4.345 0 40 FIAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224480048 ZUSUGQNQHQOMQJ-MSOLQXFVSA-N 368.893 4.251 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(C)cc1C)CC(C)(C)O2 224663394 LJMKPUBUKXGNBE-IBGZPJMESA-N 353.462 4.273 0 40 FIAB CCOc1ccc(CNC(=O)c2cc(Cl)ccc2OC)cc1OCC 225037918 IPVDCOAKLOZKBE-UHFFFAOYSA-N 363.841 4.076 0 40 FIAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC1CCCCC1 225157657 SKJWTAPCTNQTGN-SFHVURJKSA-N 364.917 4.306 0 40 FIAB Cc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225576569 YTWLLVZRKUALLJ-UHFFFAOYSA-N 374.887 4.316 0 40 FIAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)COC(C)C)C3)c2)cc1 257268919 MNUMPJDGDRHZEV-GOSISDBHSA-N 367.493 4.183 0 40 FIAB O=C(Cc1cccs1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257302115 SBPPXEWCBMMDTA-GOSISDBHSA-N 370.449 4.372 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)c(F)cc4F)OCC[C@@]31C2 257321187 WANBIBHJCRGYDD-JWXAIPMBSA-N 367.411 4.122 0 40 FIAB Cc1ccc(C)c(NC(=S)NCCCN2c3ccccc3C[C@H]2C)c1 260735166 FVRJSUGVOAADNZ-QGZVFWFLSA-N 353.535 4.431 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)cc3OC)N21 260788321 YTHBGVFCAFESIK-ZNOIYHFQSA-N 369.490 4.078 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl 408617667 BBZTZRCTSCXVGW-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1 408662165 MSMAAIQZHRMGQJ-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccco2)cc(C)c1Cl 408705417 FGQFVNLDAVFQSC-AWEZNQCLSA-N 367.898 4.367 0 40 FIAB CCOC1(c2nc([C@H]3CCCO3)no2)CCN([C@H](C)c2ccccc2)CC1 583615896 KHVLKHAUKQEHPA-SJLPKXTDSA-N 371.481 4.010 0 40 FIAB Cc1cc(C)cc(C(=O)N2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)c1 624547890 NRYCUAOEMMNAKA-UHFFFAOYSA-N 360.461 4.108 0 40 FIAB O=c1oc2ccc(Br)cc2cc1-c1nnc(-c2ccccc2)o1 846018 KMSBNFNTWYZMMC-UHFFFAOYSA-N 369.174 4.273 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc1Br 939867 WSVCXGNAHAKUDO-HQBMLVTCSA-N 352.272 4.166 0 40 FIAB Cc1cccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)c1 944936 PLGKNWKGODDOHI-UHFFFAOYSA-N 359.175 4.083 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C 955514 HSSRBSRMZUOATN-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB CCOC(=O)c1ccc(-c2c(-c3cc(CC)c(OC)cc3O)noc2C)o1 1280683 HOZGDZNZMAUDRV-UHFFFAOYSA-N 371.389 4.363 0 40 FIAB biogenic Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(F)c(F)c1)C3 2159531 CTEJPVOYAGEVER-UHFFFAOYSA-N 357.356 4.353 0 40 FIAB biogenic O=S1(=O)c2ccccc2N[C@H](c2ccccc2)N1Cc1ccccc1 2502970 NMXIZMRFXBYOBW-FQEVSTJZSA-N 350.443 4.002 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccccc2F)c1C 3250065 VTLPHVDKHQOIIL-UHFFFAOYSA-N 351.377 4.284 0 40 FIAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(C(F)(F)F)cc1 3302578 RPBBQIJOMTVGOU-UHFFFAOYSA-N 370.758 4.070 0 40 FIAB O=C(CSc1ccccc1C(=O)O)Nc1cc(Cl)cc(Cl)c1 3330538 GJXUNERKGGYNER-UHFFFAOYSA-N 356.230 4.422 0 40 FIAB COc1cc2occc2c(OC)c1C1=NN(C(C)=O)[C@@H](c2ccccc2)C1 3851095 ITCXAELLRAXQOY-QGZVFWFLSA-N 364.401 4.148 0 40 FIAB biogenic CC[C@H](C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 4108142 WHEHYEBCGVJEHR-QWRGUYRKSA-N 350.484 4.299 0 40 FIAB Brc1ccc2c(c1)[C@@H](C1=NCCN1)c1ccccc1CS2 4128073 JEXBWNOUCUFHHS-INIZCTEOSA-N 359.292 4.188 0 40 FIAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc2c(c1)OCO2 4249030 ZKGNSCDQBQDRGC-UHFFFAOYSA-N 363.398 4.044 0 40 FIAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 4699437 IZWVWFFLRWOBKI-BXUJETTOSA-N 368.408 4.096 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc2c(s1)CCCC2 5549359 DYUKBOQELJHQBE-UHFFFAOYSA-N 355.488 4.322 0 40 FIAB O=C(c1cnc2nc3ccccc3n2c1)c1cc(Cl)cc(Cl)c1O 6161457 GEINAXNNGXGAHT-UHFFFAOYSA-N 358.184 4.126 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccccc1Cl 6215881 FLGZNHSUTLLPHW-UHFFFAOYSA-N 351.233 4.060 0 40 FIAB COc1cc(C(=O)Nc2ccccc2C)cc(Br)c1OC 6302920 KPZYQRVYCMYCDN-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1 6478870 SQTRDNWZRCWEGH-UHFFFAOYSA-N 370.503 4.189 0 40 FIAB CCNc1oc(/C=C/c2cccs2)nc1S(=O)(=O)c1ccccc1 6662495 ZFJTXZNJEJPMNB-ZHACJKMWSA-N 360.460 4.171 0 40 FIAB CCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 6777983 HNVGHEKBIDXUGM-UHFFFAOYSA-N 356.809 4.269 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccc(F)cc2s1 7007777 UKBCOOBTEDHHNK-VIFPVBQESA-N 350.802 4.495 0 40 FIAB CC(C)[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccs1 7120140 KBXRDMKXGVXAHH-WBVHZDCISA-N 360.504 4.065 0 40 FIAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 7649293 BLXJCZRCNBPVJD-UHFFFAOYSA-N 354.450 4.256 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8087799 MJCUZYIWLVEIIK-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB Cc1cccc(-c2n[nH]c(SCc3cc(=O)c4cccc(F)c4[nH]3)n2)c1 8860287 GGSJLIKKRYQKNA-UHFFFAOYSA-N 366.421 4.053 0 40 FIAB CN(C(=O)c1cccc(Cl)c1)c1ccccc1C(=O)NCc1ccco1 9457112 XDFLEVOOXJEMJA-UHFFFAOYSA-N 368.820 4.140 0 40 FIAB Cc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c2cnn(C(C)C)c2n1 9956123 QWSCOUYKYZYYPJ-UHFFFAOYSA-N 373.460 4.000 0 40 FIAB COc1ccc(-c2c(C)nn3c(NCc4cccnc4)cc(C)nc23)cc1 12113313 NYBPLWUILHDZPU-UHFFFAOYSA-N 359.433 4.029 0 40 FIAB CCc1nc(NC(=O)Cc2c(C)oc3c2C(=O)CC(C)(C)C3)sc1C 12198562 MXMHVOIGRAISNE-UHFFFAOYSA-N 360.479 4.252 0 40 FIAB COc1ccc(NCC(=O)Nc2cccc(Cl)c2C)cc1OC(F)F 12523182 AZWKVWFEKMIRGY-UHFFFAOYSA-N 370.783 4.309 0 40 FIAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1nccs1 12599790 RGRGPPANYBVCPS-MPLXBHQASA-N 355.301 4.206 0 40 FIAB C[C@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12810735 ZPDGHKVMBRQKKH-JTQLQIEISA-N 372.774 4.290 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)N[C@@H](C)c3ccc(Cl)cc3)c(C)n2n1 12904311 ADBHXECFNRYRHP-ZDUSSCGKSA-N 370.884 4.118 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 13710744 OSIVABAERMVGAN-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C(c1ccccc1)c1ccccc1 14602434 HOPMMYOCZAENTN-QHCPKHFHSA-N 370.496 4.209 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2C)cc1 15540571 AMZZRVHKJFEXMF-SFHVURJKSA-N 359.853 4.400 0 40 FIAB CCc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C([N+](=O)[O-])=C3C=CC=CN32)cc1 15565936 GDAHNOHVAAJMCI-IFMALSPDSA-N 372.424 4.472 0 40 FIAB Cc1ccccc1Cc1nc2ccccc2n1C[C@H](O)COc1ccccc1 15860781 LVGLWZNPKLWMTO-FQEVSTJZSA-N 372.468 4.375 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 15883000 YYYCEXDUPGGRKJ-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Nc1nc2c(sc3nc(-c4ccc(Cl)c(Cl)c4)ccc32)c(=O)[nH]1 16386001 SRKSJOSHGPXGGI-UHFFFAOYSA-N 363.229 4.089 0 40 FIAB CC[C@H]1CCCCN1C(=O)c1cccc(C(=O)N2CCCC[C@H]2CC)c1 17073705 VEZYPIKUKOILMY-BGYRXZFFSA-N 356.510 4.496 0 40 FIAB COc1cc(-c2nnc(CSc3ccc(C)cc3)o2)cc(OC)c1OC 18269461 XAACVOKCUMDXSO-UHFFFAOYSA-N 372.446 4.363 0 40 FIAB CCC(CC)C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 19500049 HOPMPCOOVQCKSE-UHFFFAOYSA-N 358.526 4.087 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC(C)C 20040108 YYOFAPUPEYCKSB-QGZVFWFLSA-N 374.868 4.274 0 40 FIAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2ccc(F)cc2F)c(C)c1 22762597 LIOLQSYDCGRCHV-LBPRGKRZSA-N 364.417 4.411 0 40 FIAB CN(C(=O)CCc1nc(-c2cccs2)no1)c1nc2ccccc2s1 26966207 JSAJHYLPTMAADI-UHFFFAOYSA-N 370.459 4.003 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30943784 OZLOTUGVWUREQQ-RXVVDRJESA-N 368.496 4.175 0 40 FIAB COc1ccccc1CNC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 31037508 ZUSZHUVGTVQGCF-LJQANCHMSA-N 370.449 4.485 0 40 FIAB C[C@H](Sc1nccn1-c1ccccc1)C(=O)Nc1ccc(N(C)C)cc1 31300635 NLKMQEIDJJZGLS-HNNXBMFYSA-N 366.490 4.058 0 40 FIAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccc(Cl)c1 31984629 OSEVJDWYHQZCGS-UHFFFAOYSA-N 363.866 4.309 0 40 FIAB Cc1nc(-c2cc3ccc(OCC(=O)C(C)(C)C)cc3oc2=O)cs1 32104178 YDBVJTDIVNHGKX-UHFFFAOYSA-N 357.431 4.219 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccccc1F 36365487 FMTCNHXSKFZPLH-UHFFFAOYSA-N 366.396 4.024 0 40 FIAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(NC[C@H]2CCCO2)n1 36614200 PJMLRNAWVHFZLJ-GFCCVEGCSA-N 357.763 4.407 0 40 FIAB O=C(CCOc1ccc(Cl)cc1)NCc1ccccc1OC(F)F 40106489 BRHFWUZEAGDIOT-UHFFFAOYSA-N 355.768 4.027 0 40 FIAB C[C@H]1CCCC[C@H]1n1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O 40387698 NFWBOFDPNVYQFM-HNAYVOBHSA-N 358.445 4.462 0 40 FIAB CSc1cccc(NC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)c1 44166364 RUEFZDAMRRWMAB-UHFFFAOYSA-N 359.842 4.176 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c1C 44883703 GCKSDZLJWYZGSM-MRXNPFEDSA-N 355.434 4.113 0 40 FIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCc2cc(F)c(F)cc21 46222672 XSASGFWEKVYJED-KRWDZBQOSA-N 373.399 4.116 0 40 FIAB Cc1occc1C(=O)Nc1cc(NC(=O)Nc2nccs2)ccc1F 52797747 ULRCDXCWWJUGMX-UHFFFAOYSA-N 360.370 4.080 0 40 FIAB C/C=C/c1ccc(OCCCOc2c(C=O)cccc2OC)c(OC)c1 58159022 AXWPLVIQAQYGCB-QPJJXVBHSA-N 356.418 4.397 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCC(n2cccc2)CC1 58357521 NUNFYYIJTRJOPZ-UHFFFAOYSA-N 367.424 4.079 0 40 FIAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccccc1-c1ccccc1 58645910 BZAGWXJRVYADKC-UHFFFAOYSA-N 367.426 4.080 0 40 FIAB Cc1ccc(CN(CCN(C)C)C(=O)Cc2ccc(Cl)c(Cl)c2)o1 59924289 PJOQMXDRPNBBBF-UHFFFAOYSA-N 369.292 4.028 0 40 FIAB CCCc1cc(Oc2ccc(C3SCCS3)cc2)n2ncnc2n1 64904776 MLRMOTGQCUXIAM-UHFFFAOYSA-N 358.492 4.348 0 40 FIAB O=C(c1cnc(-c2ccccc2)nc1)N1CCCCC[C@H]1c1ccncc1 67830549 OKAZOSWHEAENLU-FQEVSTJZSA-N 358.445 4.296 0 40 FIAB CC(C)n1cc(C(=O)Nc2cccc3c2ccn3C)c2ccccc2c1=O 70666635 JVEBEVAKGJHHFA-UHFFFAOYSA-N 359.429 4.326 0 40 FIAB biogenic COc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72348951 PCFUQPDIGOAMSK-FQEVSTJZSA-N 373.500 4.456 0 40 FIAB CCn1ccnc1CN1CCC[C@@H](c2nccnc2-c2cccc(C)c2)C1 72359136 URPQEGSUVFZHJT-LJQANCHMSA-N 361.493 4.048 0 40 FIAB Cc1cc(Nc2cccc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)[nH]n1 72382283 VZEPAVDXFBDTTM-QGZVFWFLSA-N 367.497 4.143 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 84636460 BVVHQVAIPJCIOO-RYUDHWBXSA-N 372.918 4.167 0 40 FIAB Clc1ccccc1-c1ccc(CN2CCN(Cc3ccncc3)CC2)o1 95395490 LPMVUGNLTHGEER-UHFFFAOYSA-N 367.880 4.313 0 40 FIAB COc1ccc(CN2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)cc1 96051565 QMPRXSCEXKSISL-NRFANRHFSA-N 354.494 4.165 0 40 FIAB CC(=O)Nc1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1 96122920 LJVFYYHOQWHDES-UHFFFAOYSA-N 350.443 4.304 0 40 FIAB Fc1ccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193909 UJOGOGCKDKNDID-UHFFFAOYSA-N 366.377 4.317 0 40 FIAB O=C(Nc1nnc(C(F)(F)F)s1)N[C@H]1CCc2cc(Cl)ccc21 98024631 FRGYQNQHVXYYND-VIFPVBQESA-N 362.764 4.019 0 40 FIAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)c(C)c1 98212601 ALQZPFVQVCTRSW-UHFFFAOYSA-N 374.488 4.092 0 40 FIAB COc1ccc(C)cc1CN1[C@@H]2CC[C@@H]1CC(O)(c1cccc(F)c1)C2 100765395 FXHMVTKBGRRGOX-WOJBJXKFSA-N 355.453 4.157 0 40 FIAB Brc1ccc([C@@H]2C=C(c3cccs3)Nc3nncn32)cc1 100814715 UCOHTFASGZGQDX-ZDUSSCGKSA-N 359.252 4.158 0 40 FIAB COc1ccccc1-c1c(C)nn2c(O)c(Cc3ccccc3)c(C)nc12 101821604 WVUUSQPISVJKEN-UHFFFAOYSA-N 359.429 4.318 0 40 FIAB C[C@@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 103813748 RTXZBUSSCJLHIH-WQDWPVEGSA-N 360.567 4.018 0 40 FIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccc(Oc2ccccn2)cc1 104660233 MJFMMCHSQSUGQZ-JTDSTZFVSA-N 354.450 4.194 0 40 FIAB Cc1cc(NC(=O)[C@@H](OC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 105657136 SRJZQPPFTIHAEI-VERUCKTNSA-N 368.433 4.032 0 40 FIAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1 113286059 MARBLAZIGZBBTF-HNNXBMFYSA-N 369.371 4.035 0 40 FIAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@H]12 118929012 SNNJOYYRZHOKFM-PQHHJXOYSA-N 358.522 4.489 0 40 FIAB biogenic Cc1nn(C)c(C)c1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 141422673 GWVIUARFCRNKKB-UHFFFAOYSA-N 367.836 4.174 0 40 FIAB O=C(CCc1ccc(Cl)c(F)c1)NC[C@@H]1CCCN1c1ccccc1 207989853 IECQDTYXZBOJHP-KRWDZBQOSA-N 360.860 4.197 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1C 218939327 BFAUHSWLHZMVRS-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccn1 223521554 PPZQVSLSRBZCFO-IAGOWNOFSA-N 366.515 4.019 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224258704 OLEAMXSMSPMICP-OAHLLOKOSA-N 357.450 4.201 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCCc2cnc(-c3ccccc3)nc2)cc1 225591904 JMTZSUHSUXWSOV-UHFFFAOYSA-N 359.473 4.414 0 40 FIAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225681465 HAOBLEMOHMSLFF-KRWDZBQOSA-N 372.490 4.293 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(SCC(C)C)s1 225811199 NTHWYSMVRGTSTO-GFCCVEGCSA-N 369.487 4.221 0 40 FIAB CCCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCCOC)c(C)c1 225908617 VWIFMQVWCAMDRY-FQEVSTJZSA-N 366.502 4.119 0 40 FIAB CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408640305 IRQJMPQCOHHGOX-OTTFEQOBSA-N 369.292 4.041 0 40 FIAB Cc1cc(C(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)ccc1Cl 409180660 YYAUGKWLIMDJMZ-HNNXBMFYSA-N 362.779 4.147 0 40 FIAB CN(CCc1ccccc1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585288788 ABCVHIBEXQZJSZ-PWRODBHTSA-N 359.897 4.175 0 40 FIAB O=C(NC[C@@H]1CCC[C@@H]2C[C@H]12)N(CCc1ccccc1)Cc1ccncc1 666510914 SYGIUOVPJJZMHY-FSSWDIPSSA-N 363.505 4.272 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3cccc(Cl)c3F)co2)cc1 1142966877 YHJGYVMWDDAWMR-UHFFFAOYSA-N 374.799 4.115 0 40 FIAB Cc1nnc(N2CCC(COc3ccncc3Cl)CC2)c2ccccc12 2070389205 HYHBNRUTVQBOBJ-UHFFFAOYSA-N 368.868 4.282 0 40 FIAB CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c1 634107 VGGPFBIRJVPAGZ-UHFFFAOYSA-N 351.383 4.303 0 40 FIAB biogenic CC(C)c1ccccc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 851359 LNZNJHCWMYJSON-LJQANCHMSA-N 364.445 4.069 0 40 FIAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)o1 934774 PVQUUIHYNIBRRC-QGZVFWFLSA-N 371.868 4.207 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1029121 SODLSSKENSQHKQ-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB COC(=O)Cc1c(C)c2ccc(OCc3ccccc3C)c(C)c2oc1=O 2148558 FWQKULXUCWEHCW-UHFFFAOYSA-N 366.413 4.013 0 40 FIAB biogenic CCOC(=O)c1[nH]c(C)c(C(=O)OCc2cccc3ccccc23)c1C 3330088 KPXZNZVKYKKELT-UHFFFAOYSA-N 351.402 4.318 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](C)OC(=O)c1ccc(Br)cc1 3904939 JPIQNXLYUCFYCE-HZSPNIEDSA-N 354.288 4.257 0 40 FIAB O=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(Br)cc21 4784436 VTPWMSNOJBWKQC-UHFFFAOYSA-N 366.214 4.332 0 40 FIAB CC1(C)Cc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)O)CO1 4785295 LEQCXQMANHJLGJ-UHFFFAOYSA-N 362.476 4.107 0 40 FIAB C[C@@H](OCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4900130 GWSFFLCKRBMFRS-YDDBCJSBSA-N 362.554 4.324 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)n1C 4948089 SLCBMSZFVKWORA-UHFFFAOYSA-N 370.478 4.112 0 40 FIAB CC[C@H]1CCc2sc(C(=O)NCC(=O)Nc3c(C)cccc3C)cc2C1 5273317 FRHDIZUVSVZECC-HNNXBMFYSA-N 370.518 4.248 0 40 FIAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cccc(Cl)c1Cl 5308713 HKMYPXRBOQHCAV-UHFFFAOYSA-N 370.257 4.339 0 40 FIAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)NCc1ccco1 5475911 CYMQJQKAJHYFQZ-UHFFFAOYSA-N 364.426 4.252 0 40 FIAB Cc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1C 5612353 XDYJMMBDXCGLAN-UHFFFAOYSA-N 358.488 4.193 0 40 FIAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)[nH]1 6479175 ZEZCEOUPKFZXJH-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB O=C(CSc1nnc(-c2cccs2)o1)N(C1=CCCCC1)C1CC1 6881305 WGKVMJAKTHQUFH-UHFFFAOYSA-N 361.492 4.339 0 40 FIAB Cc1nc(SCC(=O)N[C@@H](C)c2ccco2)c2c3c(sc2n1)CCC3 7480809 FJSIDGSAOVKUAN-JTQLQIEISA-N 373.503 4.051 0 40 FIAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1 9070964 AMXAGGLSGZSIRL-UHFFFAOYSA-N 371.359 4.233 0 40 FIAB Cc1cc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)on1 9429117 YUAVQVLLSXMEEL-UHFFFAOYSA-N 351.435 4.350 0 40 FIAB Cc1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)c2ccccc2n1 9986733 RWJIFRFRQFUOGC-UHFFFAOYSA-N 358.441 4.278 0 40 FIAB COc1cc(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c(OC)cc1Cl 10430923 PFELUTZPEQJTIQ-QGZVFWFLSA-N 363.866 4.321 0 40 FIAB CCOc1ccc2nc(SCC(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1 12548796 HUDHBWCKNDMFQA-CYBMUJFWSA-N 367.474 4.032 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccco2)n1CC)C(=O)Nc1ccccc1 12615965 JETYAATUQSOEKX-OAHLLOKOSA-N 356.451 4.067 0 40 FIAB Brc1cccc(-c2noc(CN3CCc4ccccc4C3)n2)c1 12911314 FNSZRMHYTQGTQY-UHFFFAOYSA-N 370.250 4.057 0 40 FIAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1cc(Cl)ccc1Cl 13939632 VJJOXIGDZFDRGL-HNNXBMFYSA-N 356.274 4.349 0 40 FIAB O=C1C[C@@H](c2ccccc2)c2cnn(-c3ccc(Br)cc3)c2N1 14000805 PQBGVEMZNAHPJR-HNNXBMFYSA-N 368.234 4.109 0 40 FIAB Fc1cccc(-n2ccnc2SCc2cnn(-c3ccccc3)c2)c1 14094788 WGRPMHOLHIKLQA-UHFFFAOYSA-N 350.422 4.489 0 40 FIAB O=C(CCNC(=O)c1ccccc1)Nc1ccc2c(c1)Cc1ccccc1-2 15982835 BAWIDFCHGRWUJM-UHFFFAOYSA-N 356.425 4.016 0 40 FIAB Cc1nn([C@@H](C)CC(=O)NC2(c3cccc(F)c3)CCCC2)c(C)c1C 19556191 JGQBDRKULLSVQI-AWEZNQCLSA-N 357.473 4.484 0 40 FIAB Cc1noc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)CC(C)(C)C)c1C 19558119 AJXYOOVIORNPRP-INIZCTEOSA-N 358.486 4.182 0 40 FIAB Cc1cc(C)n(CCCC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 19574222 KCMUUPMDVGVAPB-VAPSRWTKSA-N 365.521 4.369 0 40 FIAB CN(CCc1ccncc1)Cc1c(-c2ccc(F)cc2)[nH]c2ncccc12 19586287 BMXGJCBJNHFSLR-UHFFFAOYSA-N 360.436 4.439 0 40 FIAB CCOc1ccc(N=c2c(C(=O)O)c[nH]c3c(C)c(Cl)ccc23)cc1 19793886 UDRKMRWIIZRVPV-UHFFFAOYSA-N 356.809 4.459 0 40 FIAB Cc1cccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)c1 19929040 GHNVWZVBXVNUCZ-UHFFFAOYSA-N 364.430 4.311 0 40 FIAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 20104432 XODWNTYBXGAJHU-NRFANRHFSA-N 369.461 4.343 0 40 FIAB CCOC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cc(C)ccc2n1 21657854 SRFYQVHGOBXGBS-UHFFFAOYSA-N 366.417 4.481 0 40 FIAB O=C(NCc1cc(-c2cc3ccccc3o2)on1)c1ccc(F)c(F)c1 22768694 NUZYLLXYCVWVLJ-UHFFFAOYSA-N 354.312 4.296 0 40 FIAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1ccccc1F 23126024 PTVSNKCZQKQRQS-UHFFFAOYSA-N 354.381 4.452 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-n2ccnc2)cc1 23890431 MXGMHSZCNIDIDH-UHFFFAOYSA-N 358.401 4.099 0 40 FIAB CC1CCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 24262062 CCEZDVNAYYKLJO-UHFFFAOYSA-N 365.502 4.499 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1 24574291 SGAKAWZHQMHMOG-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB C[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccc(F)cc1F 24968698 SUBXMCQBVJCJBQ-CYBMUJFWSA-N 367.399 4.130 0 40 FIAB COC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccs1 25081843 NBRBBJCFFQVIMM-LBPRGKRZSA-N 358.246 4.089 0 40 FIAB CCCCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCC2)cc1 27663300 LBWIPDRVNXQEMP-FQEVSTJZSA-N 358.526 4.346 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccccc3)N(C)C)oc2c1 28291348 XJXDJRWOZUZBLP-SFHVURJKSA-N 350.462 4.391 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)n1cccc/c1=N\C1CCCCC1 29026081 UUVBCPPHNVWSAD-FCDQGJHFSA-N 361.445 4.373 0 40 FIAB CC(C)[C@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc(F)cc1 29198407 KBDSVUMZWNODFD-SFHVURJKSA-N 366.383 4.353 0 40 FIAB CCCOc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1OCCC 32994576 NRUXHIUBYCTHGL-UHFFFAOYSA-N 373.478 4.155 0 40 FIAB O=C(CCc1nc(Cc2ccccc2)no1)Oc1ccc2ccccc2c1 40128349 KFCXPCRFMWPQDG-UHFFFAOYSA-N 358.397 4.352 0 40 FIAB CN(C)/C=C/c1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@@]2(C)c1ccccc1 40385379 JYLBQIZHBASZBQ-XXFRDUSWSA-N 374.484 4.237 0 40 FIAB CC(C)n1ncc2cc(NC(=O)[C@@H](C)SCc3ccccc3)cnc21 44398003 YCEPAOIZDRIKPW-CQSZACIVSA-N 354.479 4.273 0 40 FIAB CCOCc1ccccc1CNC(=O)N1CCC[C@H]1c1cccc(OC)c1 46178174 YFPSWGVPLBXKQF-NRFANRHFSA-N 368.477 4.278 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cccnc1N1CCCC1 48235692 VYFZHBLMDRHDGI-CYBMUJFWSA-N 361.898 4.455 0 40 FIAB C[C@@H](Sc1ncccc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 48263669 UIXBFMYTBCFVKP-HDPALTEOSA-N 350.915 4.301 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 49007099 IBZAPPNOCCRLFU-UHFFFAOYSA-N 364.474 4.195 0 40 FIAB COc1ccc2cccc(NC(=O)CSc3nc4ccccc4o3)c2n1 49027904 CPMZCQJAVAICLW-UHFFFAOYSA-N 365.414 4.115 0 40 FIAB CCN(CC)c1ccc(-c2nnc(SCc3nnc(C4CC4)o3)o2)cc1 58168578 ZGMUADVVUTUURX-UHFFFAOYSA-N 371.466 4.136 0 40 FIAB Cc1nc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)sc1C 61722109 QQNKKFUVAVFWOU-UHFFFAOYSA-N 355.467 4.215 0 40 FIAB C[C@H](Nc1ccc(NC(=O)c2ccnn2C)cc1Cl)c1ccccc1 65549829 DDAIUSQWVCCFSU-ZDUSSCGKSA-N 354.841 4.499 0 40 FIAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1c[nH]ccc1=O 69435374 UDNSZBKRLLSURJ-UHFFFAOYSA-N 363.442 4.006 0 40 FIAB COc1ccc(NC(=O)Cc2cccc(Br)c2)cc1Cl 72064042 UDJPORYMBLFQPL-UHFFFAOYSA-N 354.631 4.292 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)=O 72215217 NHZBNYGLXLBJFH-RHSMWYFYSA-N 361.486 4.305 0 40 FIAB O=C(NCc1ccccc1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165922 KUNLNWPSSVPXDX-OALUTQOASA-N 367.449 4.046 0 40 FIAB C[C@@H]1CCCN(C(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 78799807 VBVYLVBFHOEHKV-LLVKDONJSA-N 363.811 4.204 0 40 FIAB Cc1ccc2sc(CCNC(=O)[C@H]3C[C@H]3c3c(F)cccc3F)nc2c1 79053773 QCKGXZANHLUZKH-OLZOCXBDSA-N 372.440 4.345 0 40 FIAB CCCCc1nc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cs1 89954860 KWGLDRPSXRNYNM-RHSMWYFYSA-N 352.450 4.072 0 40 FIAB Cc1nc(C)c(-c2nn3c(-c4cc(F)ccc4Cl)nnc3s2)s1 95475253 MIWSYXBBWKFJQV-UHFFFAOYSA-N 365.846 4.386 0 40 FIAB O=C(NCC1CC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96155417 BJHAWCVCQXUORN-UHFFFAOYSA-N 374.419 4.071 0 40 FIAB COc1c(C)cnc(CNC(=O)N[C@H]2CCC(C)(C)c3ccccc32)c1C 97000211 OTATYYPRATZORW-SFHVURJKSA-N 367.493 4.319 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 103334662 NFISXFSZKLGTHY-QILLFSRXSA-N 364.445 4.322 0 40 FIAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccccc1 216831243 ZUDFZESSBRAAMP-UHFFFAOYSA-N 365.223 4.213 0 40 FIAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224258758 OLEAMXSMSPMICP-HNNXBMFYSA-N 357.450 4.201 0 40 FIAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)o1 224553692 BYYXZRQNXLXMHT-MOPGFXCFSA-N 365.458 4.169 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224645555 FRPQJQJQLNSMAO-GOSISDBHSA-N 368.546 4.470 0 40 FIAB Cc1ccccc1-c1noc(CN(C)C(=O)CCc2ccc(Cl)cc2)n1 225312636 LEERPOLBYNZAAA-UHFFFAOYSA-N 369.852 4.290 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1C 225456171 YXANZRLXOYDKOZ-UHFFFAOYSA-N 351.497 4.246 0 40 FIAB C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 225473665 WIPIPLOOJSCDKO-ZDUSSCGKSA-N 357.454 4.000 0 40 FIAB C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)Cc1ccc(Cl)cc1 226253826 GDPZRYIIESQYGH-AWEZNQCLSA-N 357.885 4.482 0 40 FIAB Cc1cc(N2CC3(CCCCC3)OC2=O)nc(C2CCN(C(C)C)CC2)n1 257344708 ZYJIETPIDRLOKI-UHFFFAOYSA-N 372.513 4.032 0 40 FIAB COc1ccc(CNC(=O)NCc2nc(C3CCCCC3)cs2)cc1 390829974 HVXKQOFBMFIBAI-UHFFFAOYSA-N 359.495 4.199 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1 408628537 URDVYINGLRBGOG-UHFFFAOYSA-N 367.499 4.499 0 40 FIAB COc1ccc(N(C)C(=S)Oc2ccc3nc(C)c(C)nc3c2)cc1 408735353 OFOVYXXYQFRDFW-UHFFFAOYSA-N 353.447 4.055 0 40 FIAB COc1cccc(C[C@H]2CCCN2Cc2ccc3oc(C(=O)O)cc3c2)c1 566358847 MXCGYTRESRCKOG-GOSISDBHSA-N 365.429 4.347 0 40 FIAB O=C(CC1=CCCCC1)N1Cc2cccn2C[C@H](CCOCC2CC2)C1 585095087 DTWFTLISXYNQHA-FQEVSTJZSA-N 356.510 4.154 0 40 FIAB Cc1ccccc1CCN[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585290579 YOKCSYCWZVFZGU-PWRODBHTSA-N 359.897 4.142 0 40 FIAB O=C(N[C@@H]1COc2c(Cl)cccc21)c1occc1COc1ccccc1 675116131 ZYAYAXBYKHBUGR-QGZVFWFLSA-N 369.804 4.376 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1cccc2nsnc12 714295 CXJFSCFWACLJIZ-UHFFFAOYSA-N 358.473 4.032 0 40 FIAB CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nccs1 944941 MTZHRRDTQKCXHS-UHFFFAOYSA-N 369.284 4.221 0 40 FIAB Cc1sc2ncn3c(SCC(=O)c4ccccc4F)nnc3c2c1C 1379176 RQMRSDVLHJWEHT-UHFFFAOYSA-N 372.450 4.070 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2cc3ccccc3cc2OC)nc1C 1514372 FQTYWACJZXFNAZ-UHFFFAOYSA-N 370.430 4.042 0 40 FIAB COC(=O)[C@@H]1ON(c2ccccc2)[C@H]2c3ccccc3-c3ccccc3[C@@H]12 1624032 AQHABOOWVCWCMY-BHIFYINESA-N 357.409 4.485 0 40 FIAB Cn1c(CCN2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21 2442349 BEDODXXXXLQLII-UHFFFAOYSA-N 368.525 4.121 0 40 FIAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccncc1 2760094 KDFYWHDTYVZEGR-UHFFFAOYSA-N 352.415 4.157 0 40 FIAB CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1Cl 3324492 LFQKXPLAHWKBHJ-UHFFFAOYSA-N 366.708 4.056 0 40 FIAB Fc1ccc(OCCSc2ncnc3c2cnn3-c2ccccc2)cc1 3378391 WHUPNSXNAQDYTB-UHFFFAOYSA-N 366.421 4.126 0 40 FIAB CCOC(=O)c1ccsc1NC(=O)c1ccc(Br)s1 4275708 GDIMDQNJPLOPAR-UHFFFAOYSA-N 360.254 4.001 0 40 FIAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)c(F)c1)c1cc(Cl)ccc1O2 4852776 CIIOONITOBHYGF-RHSMWYFYSA-N 350.752 4.388 0 40 FIAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1 4863037 DLQWCXNNGPCHLN-SDNWHVSQSA-N 370.408 4.270 0 40 FIAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccc2c(c1)OCO2 5498138 XRISJYOJGKIIHC-UHFFFAOYSA-N 360.369 4.067 0 40 FIAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O 5936613 VJBOOJURUIVOAL-KZULUSFZSA-N 368.399 4.342 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(C)c2)C(C)C)cc1 6648080 MHGGXMIATDICFH-FQEVSTJZSA-N 368.477 4.095 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)o1 6998418 JSLNZOGGPOOLBK-OUKQBFOZSA-N 362.433 4.225 0 40 FIAB C=CCn1c(C)c(/C=C(\Sc2nnc(CC)[nH]2)C(=O)O)c2ccccc21 7342509 UYWYPLQJJMHZJG-WJDWOHSUSA-N 368.462 4.034 0 40 FIAB O=C(NCc1ccccc1)/C(=C/c1ccsc1)c1nc2ccccc2[nH]1 7488774 SLDDWSBEERCUTN-SFQUDFHCSA-N 359.454 4.481 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2F)c1C 7527079 XDKBDZBHQVFIED-NSHDSACASA-N 365.788 4.055 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 7668699 ZGDTXCWEBROJKR-UZLBHIALSA-N 360.523 4.326 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2ccc(F)c(F)c2)cc1 8035304 IWFOMTOCQBVTOH-UHFFFAOYSA-N 360.404 4.021 0 40 FIAB CN(C)Cc1ccc(CNC(=O)c2ccc(C3SCCS3)cc2)cc1 8431232 HVNJDMZSOSNHFZ-UHFFFAOYSA-N 372.559 4.157 0 40 FIAB O=C(/C=C/c1ccsc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8848122 UZJNJOOCHPUMPG-PFWMLDTASA-N 355.459 4.286 0 40 FIAB O=C1C[C@@H](C(=O)Nc2ccccc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 9319801 WWEYMRGGKJQCLV-NVXWUHKLSA-N 360.413 4.002 0 40 FIAB COc1ccccc1[C@@H](C)Nc1ncnc2c1cnn2-c1ccc(F)cc1 9456479 MZZDJRYXFUWLLA-CYBMUJFWSA-N 363.396 4.136 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1cccc(Cl)c1)Cc1ccco1 9494740 OZSJKYCGDKQWQO-UHFFFAOYSA-N 361.850 4.324 0 40 FIAB CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccccc2)cc1OC 9956409 BRPIIFJACDUDMC-XUDAUXSOSA-N 351.446 4.471 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1OC 9973424 CFZQEKIKTQAIFJ-JXMROGBWSA-N 361.825 4.326 0 40 FIAB COc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccccc2)CC3=O)cc1 10156628 PSEHNVNTEUUWIM-INIZCTEOSA-N 359.429 4.450 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2nc(C(C)C)cs2)c1 10635857 MMDSLCLHBKOKPV-UHFFFAOYSA-N 355.257 4.290 0 40 FIAB COc1cc(/C=C/C(=O)N2CCc3sccc3C2)ccc1OC(C)C 10923116 OHLDHQBNHWMDBK-FNORWQNLSA-N 357.475 4.142 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3ccccc3Cl)ccc21 11612969 FDJJZKLOVSDVIK-UHFFFAOYSA-N 356.897 4.475 0 40 FIAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)O2 12296582 SDYINQAIKQUXSB-KRWDZBQOSA-N 363.413 4.182 0 40 FIAB biogenic COc1cccc(C2(NCc3ccc(N4CCCC4=O)cc3)CCCC2)c1 12328166 GDBMIBXXJLJDBY-UHFFFAOYSA-N 364.489 4.381 0 40 FIAB Fc1ccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c(F)c1 12389603 MFVHHYVPZVAEPC-UHFFFAOYSA-N 350.300 4.076 0 40 FIAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccs4)c3)cn2n1 12441185 SGXYTJGTBPBJIL-UHFFFAOYSA-N 364.430 4.027 0 40 FIAB Cc1cc(C)cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c1 12506881 XPVMRPHONLQVRQ-GOSISDBHSA-N 353.853 4.210 0 40 FIAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)[C@H]3Cc4ccccc4O3)n2c1 12520604 SSDHDQREKTZQAR-LJQANCHMSA-N 369.424 4.252 0 40 FIAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1 12525653 IEKJIHBGEQWGOY-KRWDZBQOSA-N 363.808 4.046 0 40 FIAB COc1ccc(OC)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 12577751 KIHJLBVJJJXWOR-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccc(F)cc2)c1 12793298 VIRABUJRZBLLDM-LKQLOZHYSA-N 355.409 4.220 0 40 FIAB CC(C)c1ccc(NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)cc1 12983605 XVJJYJRMLKBPNP-UHFFFAOYSA-N 368.458 4.258 0 40 FIAB CCn1c(S[C@H](C)C(=O)NCC2CCCCC2)nnc1-c1ccccc1 14020554 CAWSPPOZHYOJMI-OAHLLOKOSA-N 372.538 4.142 0 40 FIAB COc1ccc(CNC(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)cn1 14094810 XWSKDLJUOBIIHA-ZZXKWVIFSA-N 370.758 4.092 0 40 FIAB CC(C)OCCCNC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 14235693 UDQFHYMKDDZVNJ-UHFFFAOYSA-N 353.462 4.248 0 40 FIAB CC(=O)O[C@@H](CCCCCCCCC[C@@H](C)O)Cc1cc(O)cc(O)c1 14772408 XPDBYTRMUWQPTF-IERDGZPVSA-N 366.498 4.464 0 40 FIAB biogenic,in-vitro CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)c(OC)c1 15525514 BTUWWBKTICGOSG-BVBGJJFLSA-N 357.475 4.315 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)NCCc1c[nH]c2ccccc12 17296088 QTNDFJRKXWYSHI-UHFFFAOYSA-N 367.499 4.254 0 40 FIAB Cc1ccc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 19135184 JCQDYIHILHBJNF-UHFFFAOYSA-N 353.447 4.126 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(-n2cccn2)c1 19715101 DLFHDBFZSVRUBA-UHFFFAOYSA-N 360.442 4.177 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412272 QWNBYGDCUICARK-UHFFFAOYSA-N 362.495 4.035 0 40 FIAB Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c(C)c1 21600943 CBMKNEVXMZYCKR-SFHVURJKSA-N 353.853 4.210 0 40 FIAB O=C(Nc1ccc2oc(C3CC3)nc2c1)C1(c2ccccc2)CCOCC1 25301973 UQRYAVFYYGNZSD-UHFFFAOYSA-N 362.429 4.392 0 40 FIAB COc1cccc(C(=O)NCCSCc2ccc(Cl)cc2)c1OC 32341477 FXMWFRITPWZHNL-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB COc1ccccc1[C@H](O)CNC(=O)c1sc2ccccc2c1Cl 32915273 XCOMEGGJWXMLJZ-CYBMUJFWSA-N 361.850 4.027 0 40 FIAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC[C@H](C)C3)c(O)n2n1 36104719 RJIHEKKOJTXKAI-BLLLJJGKSA-N 374.485 4.019 0 40 FIAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C 36635851 AYXJMNNTUDXOQB-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 36728619 IBJZKEPWVIUPBN-UHFFFAOYSA-N 368.521 4.307 0 40 FIAB O=C(OCc1cc(-c2ccccc2)on1)c1cc(-c2ccc(F)cc2)[nH]n1 38758183 XQMFVLQBOBMUFR-UHFFFAOYSA-N 363.348 4.228 0 40 FIAB CC(=O)c1sc(Br)c(Br)c1Br 39296080 DXZOPTCVWWYWDE-UHFFFAOYSA-N 362.868 4.238 0 40 FIAB O=C1CCSc2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2N1 40107766 AHTMUNHILUHVEJ-HNNXBMFYSA-N 358.488 4.160 0 40 FIAB Cc1[nH]c2ccc(C(=O)NCCCCN3C[C@@H](C)C[C@H](C)C3)cc2c1C 40146749 JELCIYUKYBFCFA-HOTGVXAUSA-N 355.526 4.273 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@H](O)c2ccccc2Cl)cc1OC 46037851 DVNWMZUTUPZTAB-ROUUACIJSA-N 361.869 4.228 0 40 FIAB C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N(C)c1ccccc1 46767526 AFZMGZYXXFMQFE-LBPRGKRZSA-N 356.809 4.030 0 40 FIAB COCCCCNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 47198996 PGUFFAKDEGUKNW-UHFFFAOYSA-N 363.461 4.004 0 40 FIAB Cc1ccc(C)n1-c1nc(CC(=O)NC2(c3ccccc3)CCC2)cs1 49618163 QOEGKYQUAQIQPE-UHFFFAOYSA-N 365.502 4.289 0 40 FIAB CCCc1noc([C@@H](C)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)n1 56154724 KIQZZVSSEBCOCK-LLVKDONJSA-N 372.400 4.488 0 40 FIAB Cc1noc(CCCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)n1 56951231 FNQCCZAFWYNJAO-UHFFFAOYSA-N 362.433 4.034 0 40 FIAB Cc1nc(SCc2ccc(SC(F)F)cc2)sc1CC(N)=O 58209516 NOPDTHSPTGKMRS-UHFFFAOYSA-N 360.476 4.086 0 40 FIAB COc1cccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 59475307 HWIWHGXUZKFZIW-SOFGYWHQSA-N 366.244 4.210 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]([C@@](O)(c2ccccc2)C(F)(F)F)C1 72208777 QLWMCCNWGANNFP-YOEHRIQHSA-N 359.388 4.084 0 40 FIAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 72214893 YCGKETIBNWCCRM-QGZVFWFLSA-N 361.486 4.305 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C=O)C1CCCC1 72215610 VSKCILWGQNIZNB-QGZVFWFLSA-N 359.470 4.059 0 40 FIAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccccc4Cl)C3)n2)c1 72369858 RPYPAXCHZUKATK-INIZCTEOSA-N 369.852 4.388 0 40 FIAB Cc1cc(C)n2nc(Nc3ccccc3)c(C(=O)Nc3ccccc3)c2n1 72408075 OCZDFXWBMHJPPY-UHFFFAOYSA-N 357.417 4.342 0 40 FIAB O=C(NCc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165926 KUNLNWPSSVPXDX-RBUKOAKNSA-N 367.449 4.046 0 40 FIAB CCCOc1ccc(CCC(=O)N[C@@H](C)CCc2ccc(O)cc2)cc1 95426749 WSNLJAXEZCLLCO-KRWDZBQOSA-N 355.478 4.251 0 40 FIAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Br)cc1F 96170891 FHYUWUOIEQSELP-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB O=C(Nc1cccc(OC(=O)C2[C@H]3CCCC[C@H]23)c1)C1[C@H]2CCCC[C@H]12 100290424 SDNLVBMBXWAERR-XSLAGTTESA-N 353.462 4.403 0 40 FIAB CO[C@@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl 206855905 RVMCTXILFIMYCR-ITOSSNOYSA-N 362.901 4.296 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1cccc2ncccc12 215672404 PEIKONYALJJOOB-ZIAGYGMSSA-N 373.547 4.454 0 40 FIAB COc1cc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C)ccc1OC(C)C 219064943 MPHWYMOKEFMFBJ-KRWDZBQOSA-N 371.477 4.183 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)Cc1cccc(Cl)c1)CC(C)(C)O2 225496407 MFDDLDIUTSOCGH-KRWDZBQOSA-N 359.853 4.310 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)cc1C 225723881 DWQZFLLNPPBWPP-CYBMUJFWSA-N 365.524 4.309 0 40 FIAB COCCOc1ncc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C 225860666 IJWWRDNQNJRKTO-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB C[C@@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cc2ccccc2o1 332968887 JSZWQFACCBZQKM-QRQCRPRQSA-N 362.429 4.335 0 40 FIAB COc1ccccc1N(Cc1ccccc1F)S(=O)(=O)c1ccccc1 408627673 ONMIHXHOVMFSLG-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB Cc1c(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)sc2c1CCCC2 607949974 DVAALKBJTDHWBA-CQSZACIVSA-N 358.438 4.139 0 40 FIAB OCc1cccc(N(Cc2cc(C3CC3)no2)C2Cc3ccccc3C2)c1 660442944 CQRVODXCBFSUDY-UHFFFAOYSA-N 360.457 4.218 0 40 FIAB Cn1nccc1-c1ccc(CNC(=O)Nc2ccccc2C(F)(F)F)o1 1888913126 SYPJHGSJCDYSSB-UHFFFAOYSA-N 364.327 4.021 0 40 FIAB CC(C)=CCN1C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc21 1889136275 LFVZBEXEVRWELF-UHFFFAOYSA-N 370.474 4.405 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)CCc3cccc(Cl)c3)cc2)cn1 1889264771 KSUVESKNTBDTSE-UHFFFAOYSA-N 367.880 4.032 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 658127 PSCVAWZAUBUCTC-AWEZNQCLSA-N 372.515 4.266 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 788126 BHDFEEGQIVJTNJ-OAHLLOKOSA-N 364.832 4.485 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Br 1267922 IRLWUHXIOLKKMQ-UHFFFAOYSA-N 372.165 4.311 0 40 FIAB O=C(O)c1cccc(CN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)c1 2184355 CKSRWJHOGMDXJT-DHDCSXOGSA-N 373.817 4.275 0 40 FIAB Cc1cccc(N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)c1C 3314586 CIKKZKGUGBHLKV-UHFFFAOYSA-N 361.489 4.066 0 40 FIAB Cc1ccc2c(COC(=O)c3cccc(C(F)(F)F)c3)cc(=O)oc2c1 3511044 ZTYRXQSIRRVFQH-UHFFFAOYSA-N 362.303 4.477 0 40 FIAB Cc1cc(NC(=O)COc2ccccc2Cl)ccc1Br 3514928 AMJIVIUVBZQRBF-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB COc1ccc(-c2nc(NC(=O)Cc3cccc(OC)c3)sc2C)cc1 3554326 UADFJZXAVCAXQF-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB O=C(Nc1ccc2c(c1)N[C@H](Cc1ccc(Cl)cc1)O2)c1cccnc1 4736821 RVUYEPWHKATCGE-IBGZPJMESA-N 365.820 4.360 0 40 FIAB Cc1ccc(NC(=O)c2ccco2)c(NC(=O)COc2ccccc2C)c1 4825292 KQNOKKOWIQCURX-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB CC1CCN([C@@H](c2ccc(Cl)cc2)c2nnnn2C2CCCC2)CC1 4847717 GLPVJQJNZOKJMK-SFHVURJKSA-N 359.905 4.263 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2c1 4848809 DFTOGVQLLUOHLK-UHFFFAOYSA-N 355.463 4.057 0 40 FIAB CCc1cccc2c(C(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)c[nH]c12 5030874 TVTROEGUFFDIFT-INIZCTEOSA-N 354.233 4.040 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc(SC)cc2)sc2c1CCCC2 5222807 XRMLOVUOLSOZKY-UHFFFAOYSA-N 361.488 4.388 0 40 FIAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)NC(=S)N1 5815815 NQFGVOUYFKDUHL-KRWDZBQOSA-N 371.893 4.080 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nccn2C)c2ccccc2)c1 6369243 HPJHSXLXXBDEBM-GOSISDBHSA-N 365.458 4.095 0 40 FIAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 6512345 ZSPGRFUGFQQMSJ-UHFFFAOYSA-N 353.491 4.091 0 40 FIAB FC(F)(F)c1cccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)c1 7583679 CXDWQYXQNPREIK-UHFFFAOYSA-N 371.322 4.062 0 40 FIAB COc1ccc(CC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 7614284 DHBAMOQPHXPTJS-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB Cc1ccc(SCCC(=O)OCc2nnc(-c3ccccc3)o2)cc1 7778703 RJLLYWAKHVKBTK-UHFFFAOYSA-N 354.431 4.271 0 40 FIAB CCCOc1ccccc1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8161233 BNRNJLIVHZTQMA-GOSISDBHSA-N 355.434 4.286 0 40 FIAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 8406486 MMHGRWLNXYXQPG-UHFFFAOYSA-N 360.244 4.384 0 40 FIAB Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 8571385 BBCGDINHMMRTKY-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB COc1ccc([C@H]2CC(=O)Nc3[nH]nc(-c4ccc(Cl)cc4)c32)cc1 9012751 HCQOUEDSEOVONZ-OAHLLOKOSA-N 353.809 4.213 0 40 FIAB Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1F 10140038 IKGAXYPMJRTPGJ-UHFFFAOYSA-N 365.452 4.434 0 40 FIAB O=C(CCCSc1ccc(F)cc1)Nc1nnc(-c2cccs2)o1 10218139 ASQYPCVAKDKEDB-UHFFFAOYSA-N 363.439 4.448 0 40 FIAB CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccccc3)on2)cc1 12235419 BORHXWNKJSNHGC-UHFFFAOYSA-N 350.418 4.160 0 40 FIAB CC1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccccc23)CC1 12437822 PMKBMDOPELZEOY-UHFFFAOYSA-N 366.486 4.304 0 40 FIAB CCc1ccc([C@H](C)NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)cc1 12760259 DHXSJHBQROIDPE-KGLIPLIRSA-N 369.436 4.334 0 40 FIAB CC(C)(C)c1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 12783126 XYOUTHFXPQCHFF-UHFFFAOYSA-N 350.462 4.359 0 40 FIAB COc1ccccc1[C@H](CNC(=O)Nc1cccc(Cl)c1)N1CCCC1 12987140 BVCHYSLNLLELDP-SFHVURJKSA-N 373.884 4.307 0 40 FIAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 13668337 MARFNBRWNLETFF-NSHDSACASA-N 356.274 4.274 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13695057 APXSSMHMUCMHEP-UHFFFAOYSA-N 362.473 4.337 0 40 FIAB Cc1ccc2c(CN(C)CCOc3ccccc3Cl)cc(=O)oc2c1 15103433 HGTMLXJTQNPWPF-UHFFFAOYSA-N 357.837 4.266 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 15739627 PUZGEUHSLXGTHX-UHFFFAOYSA-N 357.715 4.398 0 40 FIAB CCOc1ccc(NC(=O)COc2ccccc2Cl)c2cccnc12 15840770 VURYYJYSCCXRPC-UHFFFAOYSA-N 356.809 4.304 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1 16035937 OJRADRUMJUVRPG-MXEMCNAFSA-N 356.462 4.211 0 40 FIAB biogenic O=C(Nc1ccccc1CN1CCCC1)[C@H](c1ccccc1)N1CCCC1 19659573 HYIAZDOMVJLPAF-QFIPXVFZSA-N 363.505 4.058 0 40 FIAB CCC[C@H](O)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)OCCO2 20096376 YSCGFLXRFKEKAG-INIZCTEOSA-N 361.825 4.197 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)OCCO2 20462476 LEAUCOWSUSWHDU-LJQANCHMSA-N 363.413 4.407 0 40 FIAB CN(C)[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccs1 22759648 IFUPFSMTSNQAMZ-HXUWFJFHSA-N 364.514 4.377 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1nc(C)c(C)s1)O[C@@H](C)C2 24042518 PVVMNVGXZCNRHI-MLRMMBSGSA-N 358.463 4.134 0 40 FIAB COc1ccccc1CNC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 24760285 AMIRVEROAURMFN-ZHACJKMWSA-N 352.821 4.226 0 40 FIAB CC(C)c1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 27637362 YKFROYAXSQGJAA-UHFFFAOYSA-N 358.492 4.431 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1ncc(Br)s1 27935140 XGYXKTYEFDEPAE-UHFFFAOYSA-N 363.236 4.076 0 40 FIAB O=C(Nc1ccc(F)cc1F)C1(c2ccc3c(c2)OCCO3)CCCC1 32841540 LWPBHQCEHFPIOE-UHFFFAOYSA-N 359.372 4.187 0 40 FIAB Cc1nc2ccccc2n1CC1CCN(C(=O)NCc2cccs2)CC1 38536107 WWQVIMKOJNIDLH-UHFFFAOYSA-N 368.506 4.028 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 38834798 QCFHEEDUYHVGIG-INIZCTEOSA-N 368.477 4.188 0 40 FIAB O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44932024 ADIJKQSBBUBFPL-QGZVFWFLSA-N 360.860 4.008 0 40 FIAB CSCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c1 48299819 PYKFGGVFCHOLKX-UHFFFAOYSA-N 368.502 4.428 0 40 FIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1ccccc1CN(C)C 58209868 YYLXQVQQTKIISK-GOSISDBHSA-N 367.537 4.304 0 40 FIAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2c(C)noc2C)c2ccccc21 58232266 BCWSQZSQWOSTTH-SUNYJGFJSA-N 355.482 4.089 0 40 FIAB COc1ccccc1CN1CCC[C@@H]1c1nnc(-c2ccc(C)s2)o1 60016739 LGAAWQLKVAXRPO-OAHLLOKOSA-N 355.463 4.452 0 40 FIAB Cc1csc([C@@H]2CCCCN2[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 65539622 DOQVCZDEWCSHSF-BQFCYCMXSA-N 357.523 4.244 0 40 FIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccnc2N2CCSCC2)o1 70007422 OBROBMPCVIWCND-ZCGHOXCVSA-N 369.490 4.003 0 40 FIAB O=C(/C=C/c1ccsc1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635487 WHYIMGHEENLUCZ-PUUJXSFGSA-N 367.392 4.380 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C=O 72215288 DPJDDCGWBXSBQY-DOTOQJQBSA-N 361.486 4.305 0 40 FIAB C[C@H]1COc2ccccc2N1C(=O)c1ccc(OCC(F)(F)F)cc1 72531868 GUWNJFUUVAXPCQ-LBPRGKRZSA-N 351.324 4.055 0 40 FIAB Cc1noc(C)c1NC(=O)c1[nH]c2ccc(Br)cc2c1Cl 84025553 UEOFUBKPYKYCFC-UHFFFAOYSA-N 368.618 4.441 0 40 FIAB O=C(/C=C/SCc1ccco1)OCc1nccn1Cc1ccccc1 84549014 GJHHQUIIZZBAJZ-XYOKQWHBSA-N 354.431 4.015 0 40 FIAB CO[C@@H](CNC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C)c1ccccc1 84718137 TXYXTWGHOZQXMX-YWZLYKJASA-N 363.461 4.184 0 40 FIAB Cc1nc(CN2CC[C@]3(C2)CN(c2ccccc2)CCC3(F)F)cs1 96078123 JFTQKXKEGAZNAD-SFHVURJKSA-N 363.477 4.189 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NC[C@H](OC)c1ccc(C)s1 96104891 HFCZQRIJPYRXEU-AWEZNQCLSA-N 354.859 4.228 0 40 FIAB CN(Cc1ccccn1)C(=O)c1ccc2ccc(N(C)c3ccccc3)n2c1 96146184 HDMHTJMNDRYZJV-UHFFFAOYSA-N 370.456 4.374 0 40 FIAB COCc1nc(CN(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)cs1 97015497 KJJYOVFLYJRCFN-UHFFFAOYSA-N 374.506 4.353 0 40 FIAB C[C@@H](NC(=O)CSc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102159426 MFOACQKXBLKPFX-DVZHBHJUSA-N 368.340 4.482 0 40 FIAB CCOc1ccccc1Cn1c(=S)[nH]c2c(sc3ncccc32)c1=O 102923882 HCVLODQNKLTEEI-UHFFFAOYSA-N 369.471 4.116 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1C 103716856 RMOVLYLOMIZAFS-KRWDZBQOSA-N 366.461 4.082 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCc3ccccc3C1)C2 104489209 ZDEGWONPYAWLCN-QXUYBEEESA-N 357.538 4.027 0 40 FIAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(N2CCCC2)nc1 107926595 SHPNUFLYBDMQIM-MRXNPFEDSA-N 367.493 4.385 0 40 FIAB c1ccc(Oc2ncccc2-c2noc(Cc3n[nH]c4ccccc34)n2)cc1 109572520 PLOOPNHAJNFDEB-UHFFFAOYSA-N 369.384 4.391 0 40 FIAB CC(=O)N(c1nc(CN(C)[C@H](C)c2cc(F)ccc2F)cs1)C1CC1 114714957 FUPAQZODVSVXHE-LLVKDONJSA-N 365.449 4.130 0 40 FIAB COc1c(C)cc(NS(C)(=O)=O)c(-c2c(O)ccc3ccccc23)c1C 169809397 NHZQMBISXWMGRR-UHFFFAOYSA-N 371.458 4.209 0 40 FIAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1cccc(F)c1 216824141 FDDVVTTYVGRVPW-UHFFFAOYSA-N 363.776 4.089 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccccc2F)cc1 219579235 MNYYAKUONURDKZ-IBGZPJMESA-N 359.441 4.131 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCCN1CCCc2ccccc21 219601704 CIAIRDTWBZBIQD-JOCHJYFZSA-N 366.505 4.112 0 40 FIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)S1 222622484 WOVUKKKQZPXSHH-YSSFQJQWSA-N 360.486 4.462 0 40 FIAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224218932 MOIYODSWXWOKLV-WOJBJXKFSA-N 362.502 4.389 0 40 FIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1C 224274411 XJMLBTGNWIPXGB-UXHICEINSA-N 362.502 4.214 0 40 FIAB O=C(Cc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 224851002 WVWWUKAZQPHYPM-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 225873868 ZGFVWQNWRFZUKN-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB Cc1csc(C(=O)NCc2cccc(-c3n[nH]cc3-c3ccncc3)c2)c1 257255246 KGSWSPQWZCCILR-UHFFFAOYSA-N 374.469 4.439 0 40 FIAB COc1ccc(-c2noc([C@@H]3CCN(Cc4cccc(F)c4F)C3)n2)cc1 257268354 MLISXTHSKLQLPC-OAHLLOKOSA-N 371.387 4.013 0 40 FIAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257327758 XCOXDMAYPROJOD-IBGZPJMESA-N 365.408 4.167 0 40 FIAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 408674531 ZZIIEYIUEJSMRO-OAHLLOKOSA-N 355.409 4.216 0 40 FIAB COc1cccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c1OC 408989786 MBVPNHBIDVWFFG-UHFFFAOYSA-N 356.447 4.350 0 40 FIAB Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 409085573 DNRFJNOPLCSGIY-UHFFFAOYSA-N 365.289 4.182 0 40 FIAB O=C(/C=C/c1ccsc1)NC[C@H](O)c1ccc(-c2cccs2)s1 606440746 YOMWJYNMCBNOLX-YIALFULDSA-N 361.513 4.401 0 40 FIAB COc1cccc([C@]2(C)CCN(C(=O)C[C@@]34CCCC[C@H]3C4(F)F)C2)c1 618737219 GDSWCFNRZPCNCP-RLLQIKCJSA-N 363.448 4.401 0 40 FIAB O=C(NCCc1c[nH]c2c(Cl)cccc12)c1ccc(C(F)(F)F)cn1 1648287121 IRSOKLHQDCQHTL-UHFFFAOYSA-N 367.758 4.208 0 40 FIAB Cc1c(-c2nc(-c3ccnc(OC(C)C)c3)no2)nc(O)c2ccccc12 1775997607 LUTHMTSDEVFXEH-UHFFFAOYSA-N 362.389 4.148 0 40 FIAB OC1(c2ccc(Cl)cc2)CCN(c2ccc(C(F)(F)F)cn2)CC1 2086943105 HBZSJDOHELXNPO-UHFFFAOYSA-N 356.775 4.242 0 40 FIAB COc1ccc(C(=O)Oc2ccccc2C(=S)N2CCCCC2)cc1 866327 YXKKBUZDIZKPFI-UHFFFAOYSA-N 355.459 4.076 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)c1 1057803 QZVAWCQXCRJPCM-IBGZPJMESA-N 354.450 4.193 0 40 FIAB biogenic O=C(c1cccc(Cl)c1)C1CCN(C(=O)NCc2ccccc2)CC1 1336634 ZGLNFMJFURXSES-UHFFFAOYSA-N 356.853 4.145 0 40 FIAB COC(=O)N1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)N1C(=O)OC 1585427 NFBQADGBJPGOTN-ROUUACIJSA-N 352.390 4.091 0 40 FIAB CCc1cccc(C)c1NC(=O)c1ccccc1I 2181326 SAHYYNRCXLKGIT-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(C(C)(C)C)cc1)CC2 2327011 CSRYJPXJXWXFTR-UHFFFAOYSA-N 353.462 4.200 0 40 FIAB CCc1ccc2nc(NC(=O)CSCc3c(C)noc3C)sc2c1 3425116 SCZQCCRFSSMNNI-UHFFFAOYSA-N 361.492 4.335 0 40 FIAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)C1CCCCC1 4072318 NDFKSVPOPLCDGF-UHFFFAOYSA-N 366.284 4.486 0 40 FIAB Cc1ccc2nc(N3CCN(C(=O)/C=C/c4cccs4)CC3)sc2c1 4583400 SGDUDLKBHMZEAC-FNORWQNLSA-N 369.515 4.028 0 40 FIAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3)c3ccccn23)cc1 4585202 SWGQGEABGDZOQS-UHFFFAOYSA-N 369.424 4.313 0 40 FIAB Cc1ccccc1-n1c(SC[C@@H]2CCCCO2)nnc1-c1cccnc1 5694638 QLEAJMDESZFWJA-KRWDZBQOSA-N 366.490 4.299 0 40 FIAB Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)sc2cccc(F)c12 5701907 XJZMRBRDBWDXJQ-UHFFFAOYSA-N 370.449 4.438 0 40 FIAB Cc1ccsc1C(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 5967264 XXGAMUKUNLHEHO-ZDUSSCGKSA-N 361.488 4.131 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc2cccnc12 6095040 CLYBGTGHCRXTNT-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB CN(C)CCCN(Cc1cccs1)C(=S)Nc1ccc(F)cc1 6876226 KPGJZVAYYRCKOO-UHFFFAOYSA-N 351.516 4.038 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(C)c1 6886559 MQQXUBJCIJALRA-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB Cc1nnc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)s1 7193031 JPSNCILHSDCDIV-UHFFFAOYSA-N 357.504 4.288 0 40 FIAB Nc1c(Cl)cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl 7708699 QHJVOZJZNSAQSC-UHFFFAOYSA-N 371.289 4.255 0 40 FIAB Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1NC(=O)c1ccco1 7990685 JRHCUIMRBRQNSB-AEFFLSMTSA-N 366.461 4.493 0 40 FIAB COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCSc3ccccc32)cc1 8328999 LVPYIAZWVJZZBR-KSSFIOAISA-N 356.491 4.239 0 40 FIAB COc1ccc([C@H](CNC(=O)CCc2ccsc2)N2CCCCC2)cc1 8428378 YOSWODSXQFMVPB-FQEVSTJZSA-N 372.534 4.033 0 40 FIAB COc1ccc(-c2nnc3sc(Cc4c(F)cccc4Cl)nn23)cc1 8715085 NJARTZTZOOFRLU-UHFFFAOYSA-N 374.828 4.245 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)o1 8734219 PGSCSJNXIAKJGT-UHFFFAOYSA-N 358.394 4.249 0 40 FIAB COc1ccccc1NC(=O)Cn1c(Cc2ccccc2)nc2ccccc21 9609520 ZCANFSBHJGZPMS-UHFFFAOYSA-N 371.440 4.274 0 40 FIAB C[C@H](CC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 11534092 HQOLQPKOJIIXBA-MRXNPFEDSA-N 362.429 4.342 0 40 FIAB COc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)ccc1OC(C)C 12344345 BEMSFCDPTJRRKR-UHFFFAOYSA-N 369.505 4.274 0 40 FIAB COc1ccc(-n2nc(C3CC3)c3c(C(=O)O)cc(C(C)C)nc32)cc1 12398011 DCNAANPSCQIJGV-UHFFFAOYSA-N 351.406 4.128 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sccc1C 12482283 LOMWESZKAWOPCF-UHFFFAOYSA-N 371.289 4.464 0 40 FIAB Cc1c(O)ccc2c(CN(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc(=O)oc12 12767723 UOKOUJXRDREHBW-YVEFUNNKSA-N 353.418 4.155 0 40 FIAB COCCn1c(SCCc2ccccc2)nc2sc(C)c(C)c2c1=O 12779949 QVGJUFGYXXOQOX-UHFFFAOYSA-N 374.531 4.056 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c(Cl)c1 12852249 FTXUIPRUFPWEIY-CYBMUJFWSA-N 362.882 4.201 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCCc1c[nH]c2ccc(Cl)cc12 12899768 JAARJZVYRYJSLJ-UHFFFAOYSA-N 351.837 4.204 0 40 FIAB biogenic CCOC(=O)[C@H]1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1 12979931 HGVBJWGKMKBCNX-AWEZNQCLSA-N 367.474 4.138 0 40 FIAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@@H]1c1ccc(C)cc1 13003229 BGWNEOUMUFRXIS-QGZVFWFLSA-N 372.490 4.009 0 40 FIAB O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1cccs1 14258443 RWJQWSDSGJZBJB-UHFFFAOYSA-N 357.822 4.301 0 40 FIAB CCc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(C)cc2)c1 15935958 VVGDHDNUGGGBSL-LJQANCHMSA-N 351.450 4.192 0 40 FIAB CCNC(=O)Nc1ccc(Sc2ccc(NC(=O)NCC)cc2)cc1 16681704 ICMLHVUTGQSVDU-UHFFFAOYSA-N 358.467 4.121 0 40 FIAB COc1cc(OC)c(OC)cc1CNCc1ccc(Cl)cc1Cl 17319284 DIOSKQFRSKXMIX-UHFFFAOYSA-N 356.249 4.309 0 40 FIAB Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3cccc(F)c3)C2)on1 19120775 NMVLZIFDIZHQNH-CQSZACIVSA-N 358.442 4.020 0 40 FIAB Cc1ccccc1CN1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19688753 BSALDQHLMFBGTJ-NRFANRHFSA-N 358.489 4.414 0 40 FIAB Cc1cc2cc(NC(=O)c3cc(-c4cn(C)nc4C)[nH]n3)cc(Cl)c2o1 19718811 SZSSLXMJNYTZEI-UHFFFAOYSA-N 369.812 4.079 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1C 20143825 XVTSYQOZBXIPIZ-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 20450430 KAHXYNCYLOVYNM-OAHLLOKOSA-N 361.869 4.439 0 40 FIAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c(=O)c2cc(OC)ccc21 22235771 CICGYUSCBPVQGK-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(N2CCCC2)nc1 22391069 RFDYASXHJJCEFT-UHFFFAOYSA-N 370.503 4.428 0 40 FIAB O=C(Nc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1)c1ccccc1 22881036 NZOUPVNMFSJMQR-UHFFFAOYSA-N 356.385 4.068 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2Cl)c1 27920845 NUSOOACHSHILKS-UHFFFAOYSA-N 360.244 4.419 0 40 FIAB CCn1cc(Cl)c(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1 28222934 UFPZZYSVZXFCNS-UHFFFAOYSA-N 353.809 4.040 0 40 FIAB CC[C@H](Nc1ccc(NC(=O)C(C)C)cc1)C(=O)Nc1ccc(F)cc1 28625774 UXLOKDQURWQBFE-SFHVURJKSA-N 357.429 4.249 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1csc(-c2cccnc2)n1 29047318 OUFHOVMZMRZBIE-UHFFFAOYSA-N 364.474 4.448 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)Nc1nc2ccccc2s1 31096890 KWRCAIROBNECJV-UHFFFAOYSA-N 368.462 4.334 0 40 FIAB Cc1ccc(-c2noc([C@H](C)Sc3nnc(-c4ccc[nH]4)o3)n2)cc1F 32901647 RCEYOHCLLSBDLM-JTQLQIEISA-N 371.397 4.416 0 40 FIAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccnn1C1CCCC1 32910564 UUPHVNLPGWGZDS-UHFFFAOYSA-N 365.481 4.329 0 40 FIAB O=c1cc(C(F)(F)F)c2ccc(OCCOc3ccc(F)cc3)cc2o1 32957771 XMOAPHHASOVAPT-UHFFFAOYSA-N 368.282 4.409 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 33134257 RSOURNZEVBEKSP-BLLLJJGKSA-N 367.276 4.279 0 40 FIAB CC(C)(CNC(=O)c1cc(-c2ccc(F)cc2)no1)c1ccccc1F 35322656 VLLLLGGUBVDERR-UHFFFAOYSA-N 356.372 4.327 0 40 FIAB CCc1nnsc1C(=O)Nc1ccc(Nc2ccc(OC)cc2)cc1 36397257 ONSXTIHKMYFKNS-UHFFFAOYSA-N 354.435 4.105 0 40 FIAB CCn1ncc(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1C 36613207 DVYNJXBKCMIKPA-UHFFFAOYSA-N 361.371 4.299 0 40 FIAB Cc1nc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)cc2s1 38680132 RMDIUNQTNJOHQB-UHFFFAOYSA-N 352.394 4.386 0 40 FIAB Cc1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)ccc1Br 38850308 PUQRUNRUUYGDGZ-UHFFFAOYSA-N 370.250 4.255 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)c1ccccc1C(F)(F)F 41969514 PVDAKQLPVLEXJG-UHFFFAOYSA-N 364.367 4.352 0 40 FIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)ccc1F 44836870 ITRXATSVJIORSR-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCc2ccccc21 44842179 JNJYDRHTGNQXCN-LJQANCHMSA-N 372.896 4.066 0 40 FIAB O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccccc1 52683284 XIUSLBAFFZAWKB-UHFFFAOYSA-N 374.488 4.437 0 40 FIAB Cn1ccc(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)n1 55415459 VWZRMCSSLUPJHA-UHFFFAOYSA-N 358.348 4.017 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1OC 57315980 BGKZTALALIPYLI-CYBMUJFWSA-N 372.490 4.344 0 40 FIAB O=C(CCc1ccccc1)NC1CCN([C@@H]2CCCc3ccccc32)CC1 57985534 QYIXRLUGGVTATB-HSZRJFAPSA-N 362.517 4.277 0 40 FIAB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 58017955 MBZQVUKZRHPLHB-CRAIPNDOSA-N 374.481 4.284 0 40 FIAB CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(C)cc3[nH]2)C[C@H]1C(C)C 72320840 JAIISSQKKJWKFZ-FHWLQOOXSA-N 353.510 4.405 0 40 FIAB biogenic,in-vitro COc1cccc(NC(=O)C(=O)N2CCC[C@H]2c2cccc3ccccc23)c1 83973570 LXCQIVQPPRDMPV-NRFANRHFSA-N 374.440 4.151 0 40 FIAB O=C(C1CC1)N1CCCc2ccccc2[C@@H]1c1ccnc(-c2cccnc2)c1 96087164 YWHBFSZYTIUKAU-QHCPKHFHSA-N 369.468 4.418 0 40 FIAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccc(Cl)cc1 107970233 QGKOYCXUFNDZOY-UHFFFAOYSA-N 368.216 4.317 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1OC(C)C 219734751 YVULCAOHWYOSGE-UHFFFAOYSA-N 354.450 4.112 0 40 FIAB O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccccc1 223442712 DNZNPIHPYSIOMR-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc2ccccc2c1 223627291 BKKCPXKATBUXCI-FQEVSTJZSA-N 367.420 4.332 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C)c(I)c1 225009105 HTEGQIVWEVARRB-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB C[C@@H]1CCCN(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 225735815 YBUGYAVYSHTHBT-CYBMUJFWSA-N 359.461 4.114 0 40 FIAB COc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225763598 CKBAMAKNLDEEOE-KRWDZBQOSA-N 356.422 4.128 0 40 FIAB COc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c(OC)c1 225931694 KCLKBBBRZCNQQN-UHFFFAOYSA-N 373.452 4.379 0 40 FIAB Cc1cc(N)cc(Br)c1NC(=O)c1cccc(OC(C)C)c1 226763216 APZRWSXFRVIZLL-UHFFFAOYSA-N 363.255 4.379 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257288319 PTSSYPJDCGLYKB-MRXNPFEDSA-N 371.437 4.147 0 40 FIAB COc1cc(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1O 408811190 KOUPAWJCUCTIBK-ZSOIEALJSA-N 361.806 4.295 0 40 FIAB Cn1cccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 409102248 YBCMJZJTQBFAPK-ZSOIEALJSA-N 350.802 4.054 0 40 FIAB COc1cc(Cl)c(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1OC 513777769 ANJHSFWHOLBLSF-UHFFFAOYSA-N 371.824 4.104 0 40 FIAB Cc1cc(Br)cc([C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 514269676 AZMXPSQRUQMEHC-AWEZNQCLSA-N 356.260 4.066 0 40 FIAB CC(C)(c1ccc(NC(=O)N[C@@H]2CC23CCOCC3)cc1)C(F)(F)F 516910109 PLSRYMNCQXWTMA-CQSZACIVSA-N 356.388 4.217 0 40 FIAB Fc1ccc2c(C3CCN(c4nccc(C(F)(F)F)n4)CC3)noc2c1 563966112 BRCPRWFLNZUUIJ-UHFFFAOYSA-N 366.318 4.160 0 40 FIAB Cc1nocc1C(=O)N1CCC2(CCc3cc(-c4ccoc4)ccc32)CC1 585105633 LKLPSNALTKIORS-UHFFFAOYSA-N 362.429 4.363 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C)n(-c3ccc(F)cc3)n2)o1 679025855 RIPXDENPJCDKSQ-SFHVURJKSA-N 353.397 4.199 0 40 FIAB O=C(C[C@H](c1ccccc1)c1ncc[nH]1)Nc1cnc2c(F)cccc2c1 1557409761 VHDBUMWTJKIXED-QGZVFWFLSA-N 360.392 4.258 0 40 FIAB COC[C@H](NC(=O)c1ccccc1-c1ccccc1)c1cccc(OC)c1 1585642974 PARRGAFMXROTFB-QFIPXVFZSA-N 361.441 4.480 0 40 FIAB CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1OC(=O)c1ccccc1 641718 CLXFGHVNXRNTAK-UHFFFAOYSA-N 350.370 4.222 0 40 FIAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC)cc1 953662 UVRYHLQEHQJJJG-UHFFFAOYSA-N 352.390 4.172 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccn(Cc2ccccc2C)n1 1000969 UFMJCJDAHWZQAO-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1C 1459939 CKVVUSIMXHHHHF-QGZVFWFLSA-N 366.461 4.082 0 40 FIAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c1 1945388 PCVBBECGZQLYRB-YRNVUSSQSA-N 371.433 4.152 0 40 FIAB CCCc1nn(C)c(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1Cl 2183288 VXYPDNZLOOMMMW-UHFFFAOYSA-N 372.885 4.168 0 40 FIAB CCOc1ccc2[nH]c3c(NCCc4ccc(OC)cc4)ncnc3c2c1 2410366 QRCJLQHAOALVDS-UHFFFAOYSA-N 362.433 4.173 0 40 FIAB CCCCSc1nc(NN)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2425118 RDUNDJJCMUZCQK-INIZCTEOSA-N 352.529 4.111 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1ccc(Cl)cc1 3183876 NFZGAICDILYENF-HKUYNNGSSA-N 355.869 4.488 0 40 FIAB CCCCNC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 3300834 FTGKOPWFVKDTBU-UHFFFAOYSA-N 364.540 4.414 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3ccccn3)cccc2c1=O 3477166 PZTAZIQTUNFPLQ-UHFFFAOYSA-N 370.408 4.093 0 40 FIAB CC(C)(CO)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 4019292 SOYRVGGWGKSMDE-UHFFFAOYSA-N 354.277 4.433 0 40 FIAB CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)ns2)cc1 4167229 OZPJCRSGYLBTSB-UHFFFAOYSA-N 355.488 4.498 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 4815068 XTMUERKEFYWZCR-QZTJIDSGSA-N 352.825 4.019 0 40 FIAB CCCCOc1ccc(N2C(=O)CN=C2Nc2ccccc2Cl)cc1 4860031 UXHURRCDYYFPFF-UHFFFAOYSA-N 357.841 4.334 0 40 FIAB C[C@@H]1CCN2c3cc(Cl)ccc3CC3(C(=O)CC(C)(C)CC3=O)[C@@H]2C1 4915386 PRNRPIBINBEFAZ-DYVFJYSZSA-N 359.897 4.446 0 40 FIAB C[S@@](=O)c1ccccc1COC(=O)Nc1cc(Cl)cc(Cl)c1 5377746 AOEZYWUARFREET-QFIPXVFZSA-N 358.246 4.480 0 40 FIAB Cc1ccccc1-c1nnc(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)o1 5435176 UPPLZSVMHOUFEH-LBPRGKRZSA-N 364.430 4.135 0 40 FIAB CC[C@@]1(C)C[C@@](CCNS(=O)(=O)c2ccc(C)cc2)(C(C)C)CCO1 5478103 DXAOAYWMNMKZIG-PMACEKPBSA-N 367.555 4.285 0 40 FIAB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)NC(=O)N1CC 5524577 LBYBOJMVCASXNZ-INIZCTEOSA-N 350.846 4.044 0 40 FIAB COc1ccc(-n2cnnc2SCC(=O)c2cc(C)c(C)cc2C)cc1 5894515 LTFTYFMZFKFOKY-UHFFFAOYSA-N 367.474 4.176 0 40 FIAB CCCSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 6075918 DWSJFVFGBKEDSZ-UHFFFAOYSA-N 366.490 4.367 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 6460460 VPIPMFHDJAPTQG-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB CC(C)C[C@H](NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1)C(=O)O 6660155 PIQQQXGOHJKCFJ-INIZCTEOSA-N 367.405 4.116 0 40 FIAB C[C@@H](Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1)c1ccccc1 7109548 SWPZCAWERYILTD-CYBMUJFWSA-N 373.503 4.355 0 40 FIAB Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccco1 7179836 WISWIDXXUHKWMX-UHFFFAOYSA-N 373.825 4.071 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1OCC 7360528 BTAYUHBGMJTKHJ-UHFFFAOYSA-N 371.458 4.438 0 40 FIAB CCOc1ccc(CC(=O)Nc2nc3c(OCC)cccc3s2)cc1 7614615 JFOKQRUZBMOUEU-UHFFFAOYSA-N 356.447 4.275 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)c(C)c1 8368960 DLXIMQPEOYJZBU-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB COc1ccc(NC(=O)c2ccc(COC(=O)C[C@H]3C=CCC3)cc2)cc1 8395651 LOXMHDCNWIBLFD-INIZCTEOSA-N 365.429 4.347 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2F)cc1Cl 8757250 GVNQRBSDZXJPNG-UHFFFAOYSA-N 366.845 4.098 0 40 FIAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccco3)ccc21 8959276 BLLNRJVYDYFPSG-UHFFFAOYSA-N 370.449 4.330 0 40 FIAB O=C(OCc1ccc(F)cc1Cl)C(O)(c1ccccc1)c1ccccc1 9180251 XIVBQLKEYLXTRE-UHFFFAOYSA-N 370.807 4.458 0 40 FIAB Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)o1 9573855 BOBZAXMVTFDZMC-UHFFFAOYSA-N 366.808 4.292 0 40 FIAB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccs3)C[C@H]21 10216097 ZHBKRIVHMRGSTP-OXQOHEQNSA-N 363.442 4.394 0 40 FIAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccno1 10253898 QKPNBYDSXKLKIZ-UHFFFAOYSA-N 361.184 4.465 0 40 FIAB CC(C)Oc1ccccc1NC(=O)COc1ccc(Br)cc1 10683935 IBJSYXNVXSEENQ-UHFFFAOYSA-N 364.239 4.254 0 40 FIAB O=C(Nc1cccc2ccccc12)N1CCC(c2nnc3ccccn23)CC1 11008750 ZENIRHNZYWOOEV-UHFFFAOYSA-N 371.444 4.294 0 40 FIAB Cc1ccc(-c2cc(CNC(=O)c3ccc(OC(C)C)cc3)no2)cc1 12235522 DPCGYCBGGMGPIL-UHFFFAOYSA-N 350.418 4.367 0 40 FIAB CCn1/c(=N\C(=O)c2ccc3ncsc3c2)sc2cccc(OC)c21 12378108 NLMYWZOKCQJAEV-CZIZESTLSA-N 369.471 4.082 0 40 FIAB O=C(c1ccc(Cl)cc1)c1ccc(COc2ccc3c(c2)OCO3)o1 12429063 WIHRSAUXCWKCMP-UHFFFAOYSA-N 356.761 4.472 0 40 FIAB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(Cl)cn3)cc2)CC1 12629545 WWBUSTJSMBRZLH-OAHLLOKOSA-N 372.900 4.410 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2ccc(C)cc2C)N2CCCCC2)cc1 12754898 KHWFNFNEJQLIDV-JOCHJYFZSA-N 366.505 4.269 0 40 FIAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2OC)cc1 12903669 FFHVBFPRXXFOPA-HXUWFJFHSA-N 368.477 4.260 0 40 FIAB CC(=O)N[C@H](C)c1ccc(C(=O)COc2c(Cl)cccc2Cl)cc1 12924649 GKFZWUDTNFASGR-LLVKDONJSA-N 366.244 4.452 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccccn1 13005785 CETZHEHZGGATPN-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB COc1ccccc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 13675029 QIWRRGBAYIGVSP-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB O=c1oc2c3c(ccc2cc1-c1ccc(Cl)cc1)OCN(C1CC1)C3 13722019 NXQAAHJANUKKPT-UHFFFAOYSA-N 353.805 4.428 0 40 FIAB CC(C)c1ccc(NC(=O)COCC(=O)Nc2ccc(Cl)cc2)cc1 13844738 VKNNTDLYDURFEA-UHFFFAOYSA-N 360.841 4.057 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@H]3CCCC[C@H]3C)cs2)cc1OC 14077520 DPFCIMCGKBQHKW-CJNGLKHVSA-N 374.506 4.065 0 40 FIAB COc1cc(NC(=S)Nc2ccc(C)cc2Cl)cc(OC)c1OC 17075372 FQZLNNGVHLNBKY-UHFFFAOYSA-N 366.870 4.483 0 40 FIAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(OC)c3)cc2s1 17075732 SDDIBDRWJRTBKT-UHFFFAOYSA-N 369.446 4.296 0 40 FIAB Cc1nccn1C[C@@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 19659003 IOOQUEHIILYDRO-MRXNPFEDSA-N 354.885 4.305 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 20141454 NUOPSQCPGKYCNK-UHFFFAOYSA-N 367.401 4.099 0 40 FIAB Cn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2cc(F)ccc21 22236282 WJXZZNXUXQXBQJ-UHFFFAOYSA-N 365.191 4.237 0 40 FIAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3cccn3C)c3ccccc3n2)o1 23423724 XXXHLKPEFNCYPO-UHFFFAOYSA-N 374.396 4.181 0 40 FIAB O=C(CSc1ccccc1)Nc1cnn(Cc2ccccc2Cl)c1 27920736 GGQRRGJMEPAFAD-UHFFFAOYSA-N 357.866 4.316 0 40 FIAB CCCCCc1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 29200745 GJCONFGVAQWMOC-UHFFFAOYSA-N 374.506 4.352 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(CN(CCC(=O)N2CCc3ccccc32)C2CC2)o1 30152792 SNIDRVQYHGVCNS-UZLBHIALSA-N 364.489 4.347 0 40 FIAB COc1cccc(CN(C)C(=O)c2cc3cc(Br)ccc3[nH]2)c1 32770841 ZTYLLCKRXDVKAO-UHFFFAOYSA-N 373.250 4.211 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCCc2nc(-c3cccs3)no2)cc1 35672980 RKHMEVLAJLVCEX-UHFFFAOYSA-N 355.463 4.068 0 40 FIAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(Cl)cc2Cl)C1=O 36635506 WIOOCDONQKODMA-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB O=C(CSc1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccccn1 36836102 BVVUUOUEGYZPMM-FQEVSTJZSA-N 352.434 4.219 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1OC 40067041 NFKPRAQEEUXTGZ-KRWDZBQOSA-N 365.433 4.091 0 40 FIAB Nc1nnc(SCc2cc(Cl)ccc2OCc2cccnc2)s1 40134576 HDCQNKDMPHQRMT-UHFFFAOYSA-N 364.883 4.040 0 40 FIAB O=C(Cn1c([C@@H]2CCCO2)nc2ccccc21)Nc1ccccc1Cl 40307653 KCLGPMSYYJZTPO-KRWDZBQOSA-N 355.825 4.180 0 40 FIAB CSCC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 44632262 JBIIOHJQOKELQK-UHFFFAOYSA-N 371.325 4.106 0 40 FIAB C[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)c1ccc2c(c1)CC(=O)N2 46224334 AGJYRIVRCUFGFY-GFCCVEGCSA-N 364.376 4.071 0 40 FIAB C[C@@H](c1ccccn1)N(C1CC1)S(=O)(=O)c1cccc(Cl)c1Cl 48289608 RZXMJAZTHJDRPS-NSHDSACASA-N 371.289 4.303 0 40 FIAB COc1ccc(NC(=O)c2cc(Cl)cc3cccnc23)cc1NC(C)=O 55118591 WHWLDPFQGIZYOD-UHFFFAOYSA-N 369.808 4.108 0 40 FIAB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 58017953 MBZQVUKZRHPLHB-QAPCUYQASA-N 374.481 4.284 0 40 FIAB CC1CCN(C(=O)c2ccc(-c3cccc(Br)c3)n2C)CC1 58325051 LOWDESRTFDSWBH-UHFFFAOYSA-N 361.283 4.327 0 40 FIAB O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 70639971 IUJRKUZUPAFEJC-DUKHMXAISA-N 367.411 4.071 0 40 FIAB CN(C(=O)OC(C)(C)C)C1CN(C(c2ccccc2)c2ccccc2)C1 71623929 WYPGAZRNYWLYGQ-UHFFFAOYSA-N 352.478 4.327 0 40 FIAB CC(C)(C)OC(=O)N1CCC([C@](O)(c2ccccc2)C(F)(F)F)CC1 72208685 OLTRSLJDYOFQEW-QGZVFWFLSA-N 359.388 4.084 0 40 FIAB Cc1nc2ccccn2c1C(=O)N(CCc1cccs1)Cc1ccco1 77171770 HRORWIHPHLKBJQ-UHFFFAOYSA-N 365.458 4.182 0 40 FIAB C[C@H](C(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)n1cccn1 83927634 ZDIYYGCBPOGMNJ-QRWLVFNGSA-N 365.502 4.290 0 40 FIAB O=C(COc1ccccc1-c1nc[nH]n1)Nc1ccccc1-c1ccccc1 84562815 QRWYUPYPFUYAMS-UHFFFAOYSA-N 370.412 4.156 0 40 FIAB CO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 95364793 NSMQFKWYOAFMND-JTQLQIEISA-N 363.866 4.095 0 40 FIAB Cc1ccc(CN2CC[C@@]3(C2)C(=O)N(CC(C)C)c2ccccc23)s1 96100307 CDLIVLOXLFNKAL-NRFANRHFSA-N 354.519 4.203 0 40 FIAB CCCNC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96155416 YDNQJGALJUSGKI-UHFFFAOYSA-N 362.408 4.071 0 40 FIAB C[C@H]1C[C@@H]1C(=O)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242452 BKFQWENQZBTOIE-RXVVDRJESA-N 366.549 4.209 0 40 FIAB COC(=O)C1=C(C)N[C@@]2(c3ccc(Cl)cc3)C[C@H]1c1ccccc1O2 100262526 NTJPQRMIVGRWKN-JXFKEZNVSA-N 355.821 4.109 0 40 FIAB CC[C@@H](NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)c1ccccc1OC(F)F 102797224 SVDRJSDVUJPXFQ-HEHGZKQESA-N 365.420 4.251 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 103718976 YGAWLKOMNPSPIM-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 107842597 LASXODFXASXNDC-HNNXBMFYSA-N 353.853 4.277 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 216452454 SXIVUCHQYZHATF-SFHVURJKSA-N 351.490 4.498 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222608380 HTJCWYIJMTYOQF-UHFFFAOYSA-N 366.808 4.008 0 40 FIAB O=C(Nc1ccccc1Br)c1cnc(-c2cccc(F)c2)nc1 222621569 AUFWXCYBRAITFH-UHFFFAOYSA-N 372.197 4.298 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1C)CCCC2 223078742 QHQKVFUOAWBTCO-UHFFFAOYSA-N 365.882 4.337 0 40 FIAB CSc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 223661446 BWONVGZAOKABPK-UHFFFAOYSA-N 363.504 4.313 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1 223696621 CRJPAGZSMGITJT-CQSZACIVSA-N 351.368 4.406 0 40 FIAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CC 223943362 SEXCEQUQAUPRSO-INIZCTEOSA-N 373.324 4.427 0 40 FIAB O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 224095578 NOROMKLLDPZOCW-UHFFFAOYSA-N 372.896 4.135 0 40 FIAB COC(=O)c1cc(NC(=S)NCCCc2ccccc2)ccc1Cl 225385163 FFDWVTVTSCQHRN-UHFFFAOYSA-N 362.882 4.046 0 40 FIAB COc1ccc(NC(=S)NCCCSCc2cccc(C)c2)cn1 225605385 SOEAFRXYSGQEQR-UHFFFAOYSA-N 361.536 4.009 0 40 FIAB COc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cn1 225875087 SEHZSZQQHGUUSO-UHFFFAOYSA-N 355.507 4.322 0 40 FIAB C[C@@H](c1ccccc1)c1nc(-c2ccc(OC3CCOCC3)cc2)no1 545083278 HSIGPEJJVXSJQJ-HNNXBMFYSA-N 350.418 4.446 0 40 FIAB CC(C)Cn1ncc(-c2nc([C@@H]3CCOc4ccccc43)no2)c1C1CC1 569153124 JMUGWFCUVLGPMJ-MRXNPFEDSA-N 364.449 4.381 0 40 FIAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(Br)o1 575609838 IAMSWVLXYDJIMO-UHFFFAOYSA-N 352.209 4.294 0 40 FIAB CC(C)c1noc(-c2ccnc(N3CCC(Oc4ccccc4)CC3)c2)n1 585085235 ZBMHSWVYZRJIED-UHFFFAOYSA-N 364.449 4.303 0 40 FIAB C[C@H](NC(=O)N1C[C@@H](C)[C@](C)(CO)C1)c1ccc(-c2ccc(F)cc2)cc1 664568133 GRSOTBSBUZLILL-VVBPWWLESA-N 370.468 4.214 0 40 FIAB O=C(CCCc1ccccc1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 706708 GPWDVJLXAABBSV-YJBOKZPZSA-N 368.399 4.039 0 40 FIAB Cc1cc2ccccc2n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc12 1223177 SUXXNJBESWCQBU-GASCZTMLSA-N 368.506 4.073 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OCC 2197771 IFYJBDHACRYZNB-ATVHPVEESA-N 351.402 4.137 0 40 FIAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2394829 XGEWZAXIPCXLMG-MHECFPHRSA-N 367.813 4.426 0 40 FIAB CC(C)c1nc2sc3c(SCC(=O)O)ncnc3c2c2c1CCC2 2413633 XRKMQDLEGRWSJR-UHFFFAOYSA-N 359.476 4.028 0 40 FIAB COc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccccc32)c1 2688693 LPYAVXAINUTGSE-UHFFFAOYSA-N 369.420 4.289 0 40 FIAB O=C(NCc1ccccc1)c1cccc(COCC(F)(F)C(F)F)c1 2751748 LAZHMBWUIFVIDD-UHFFFAOYSA-N 355.331 4.034 0 40 FIAB CCOc1ccc2c(=O)c(Oc3ccc(C(=O)OC)cc3)c(C)oc2c1 3195705 AXTUNHQDWXSEOD-UHFFFAOYSA-N 354.358 4.079 0 40 FIAB biogenic CCc1cccc(CC)c1NC(=O)COC(=O)CCC(=O)c1cccs1 3224832 HSUYAQDSOJINPX-UHFFFAOYSA-N 373.474 4.018 0 40 FIAB O=C(COC(=O)c1ccco1)Nc1ccccc1Sc1ccccc1 3241875 HNUNXXLSNYNYJY-UHFFFAOYSA-N 353.399 4.226 0 40 FIAB CCc1c(O)[n+](-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O 3957945 CHBYIYOKTJYFPG-UHFFFAOYSA-O 369.444 4.049 0 40 FIAB CCCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1 4092183 HVPMMEUSTATALT-UHFFFAOYSA-N 355.482 4.284 0 40 FIAB CNC(=O)c1ccsc1NC(=O)c1cccc(Oc2ccccc2)c1 4281803 UJZCBZSERIJHRR-UHFFFAOYSA-N 352.415 4.152 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)NC1CCCCC1 4305423 GYFZWPMBRBGQAW-IBGZPJMESA-N 369.534 4.484 0 40 FIAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccccc2F)o1 4986921 HHQRXQMFPZUQKN-UHFFFAOYSA-N 361.373 4.054 0 40 FIAB CNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 5055754 FTEGESSEYJBKBJ-UHFFFAOYSA-N 362.882 4.282 0 40 FIAB CCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)n[nH]2)c1 5343497 SKCQQGMYHLAPQI-UHFFFAOYSA-N 373.359 4.198 0 40 FIAB O=c1c2c(nc3n1CCCS3)c1cc(F)ccc1n2Cc1ccccc1 5452266 MJQBTGDRQXIIBH-UHFFFAOYSA-N 365.433 4.034 0 40 FIAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1O 5986266 IXIQXCCPVRCVLF-JTQLQIEISA-N 368.216 4.191 0 40 FIAB O=C(CCCOc1ccc(Br)cc1)NCc1ccccc1F 6260699 BEFWKXSFMPJGLW-UHFFFAOYSA-N 366.230 4.064 0 40 FIAB COc1cc(C)c(CSc2nnc(Cc3ccccc3)n2C)cc1OC 6509592 KUSXNLSQRREJDF-UHFFFAOYSA-N 369.490 4.024 0 40 FIAB Cc1cccc(OCCCC(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)c1 6607218 YWJOHSCSOWTVKI-UHFFFAOYSA-N 371.824 4.496 0 40 FIAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(C)c2)cc1 6630461 OAUUHAHQCBFXMX-UHFFFAOYSA-N 374.440 4.414 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(C)s2)cs1 7192261 QNSTZKTVLYGZOQ-UHFFFAOYSA-N 362.505 4.280 0 40 FIAB COc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 7686148 ALKXEQXTPIUXRG-QHCPKHFHSA-N 361.441 4.288 0 40 FIAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 7688782 TVULBEZPVVSRRX-UHFFFAOYSA-N 360.385 4.414 0 40 FIAB Cc1ccccc1COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 7778404 KYCKDDCTSLDJCN-UHFFFAOYSA-N 359.425 4.135 0 40 FIAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc(Cl)c(OC)c(OC)c1 8129111 VUJYACSOLUTUPG-GFCCVEGCSA-N 363.841 4.165 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N2CCCc3ccccc32)c1 8130969 QAZXBXQHHNQREK-UHFFFAOYSA-N 362.429 4.463 0 40 FIAB Cc1ccc(/N=C/c2ccc(OCC(=O)O)c(Br)c2)c(C)c1 8368622 BWNQSQASCGZWNX-DJKKODMXSA-N 362.223 4.280 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 8613213 QCADTYNGMGXWKQ-FQEVSTJZSA-N 358.526 4.345 0 40 FIAB CC(C)[C@H]1C[C@@](CCNC2CCN(C)CC2)(Cc2ccccc2)CCO1 9047115 FVOUTONKTROUNU-DHIUTWEWSA-N 358.570 4.124 0 40 FIAB CC(=O)N[C@@H](C)c1ccc(C2=NN=C(Nc3ccccc3C)SC2)cc1 9871835 LQSJYQWCBZAIHJ-AWEZNQCLSA-N 366.490 4.111 0 40 FIAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CSCCCc1ccccc1 9910088 OBTZUBLWZDLKIF-UHFFFAOYSA-N 368.502 4.116 0 40 FIAB CCOCCS[C@@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 9937844 NYSQVPSWUGNLJM-JTQLQIEISA-N 350.465 4.075 0 40 FIAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cc(Cl)cc(Cl)c1 10763749 VHJBJSONZNBCID-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB O=C(c1ccc2ccccc2c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 11546940 LAYGOXFNSZYVSK-FQEVSTJZSA-N 374.488 4.178 0 40 FIAB CN(Cc1cc(-c2ccc(F)cc2)c[nH]c1=O)Cc1cccc2ncccc12 12187349 IRNWSRSQJVLYPU-UHFFFAOYSA-N 373.431 4.361 0 40 FIAB CN1CCCc2cc(CCNC(=O)c3ccc(C(F)(F)F)cc3)ccc21 13006659 VIJVPXAOSBINDF-UHFFFAOYSA-N 362.395 4.060 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 13013442 MCSMCDDPUJPCMH-MRXNPFEDSA-N 356.491 4.110 0 40 FIAB Cc1ccc(OCCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 13013553 CZVHNESIKDAXPB-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc(C(F)(F)F)[nH]c2c1 13687625 RXEIOSVTYKMFFX-UHFFFAOYSA-N 372.350 4.036 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1cncc(Br)c1 14095296 HEPSUAFJYMLMGI-ZDUSSCGKSA-N 351.269 4.055 0 40 FIAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 14609396 FSDDOJRKVMYNRD-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 15019152 USXMTIPPRMHYEC-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB CCOc1ccc2oc(C)c(C(=O)Nc3ccc(OC)cc3OC)c2c1 15880490 CCPDMKKUIHOSQQ-UHFFFAOYSA-N 355.390 4.409 0 40 FIAB biogenic Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)c1C 15883002 LKMWDDNESLNZSJ-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 15963620 VMFXJUHKRKBEFD-UHFFFAOYSA-N 361.397 4.431 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccsc2)CC1 17743795 RBQLCNNZMJYHSK-UHFFFAOYSA-N 370.305 4.405 0 40 FIAB O=C(COc1ccccc1F)Nc1cccc(-c2nc3ccccc3[nH]2)c1 18835744 OUSXXJZHWIOLIL-UHFFFAOYSA-N 361.376 4.387 0 40 FIAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)C2CCC2)n1 19525621 YGDBGUGOSIBEHZ-QGZVFWFLSA-N 368.481 4.165 0 40 FIAB O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCCC1 20381061 BELFOTPDHUMVJX-UHFFFAOYSA-N 372.877 4.321 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2)cc1 20489077 ZRRCLXZGRFYBGQ-HNNXBMFYSA-N 361.532 4.225 0 40 FIAB Cc1ccccc1-c1nc(NC(=O)COc2ccc(C(C)C)cc2)no1 21806706 WPBDJOMBTXOTOL-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB COc1cccc(NC(=O)CSCc2ccccc2Br)c1 22876195 CDXGVHURIFIBRD-UHFFFAOYSA-N 366.280 4.330 0 40 FIAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cc(C)no1)CC2 23873082 HVXDBOBODYUSCU-JOCHJYFZSA-N 364.445 4.148 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)c3cc(C)cc(C)c3)c2C)c1 32610116 ZZQBXORZQVPDNG-UHFFFAOYSA-N 363.461 4.426 0 40 FIAB Cc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2OC(F)F)cc1 40057160 FSVSZMCHEGQTEP-QGZVFWFLSA-N 360.404 4.372 0 40 FIAB CN(CC1CC1)Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S 40149241 FVHAZLWQTZTBFR-UHFFFAOYSA-N 370.547 4.490 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)N(Cc1ccccn1)C1CC1 58432620 VHFOXFKWEDMFGT-UHFFFAOYSA-N 350.447 4.402 0 40 FIAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 60322489 XMNJMHMDUJXNTP-AWEZNQCLSA-N 356.432 4.078 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1 62580785 IJQBPLQNBYPMQL-AWEZNQCLSA-N 373.497 4.270 0 40 FIAB Cn1ccnc1SCC(=O)Nc1cccc(C2SCCCS2)c1 65858061 ZFQIXVVZHGFBJO-UHFFFAOYSA-N 365.549 4.020 0 40 FIAB O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H](c1ccccc1)C1CCCC1 71935229 UDZKEYKXCXQTHA-QHCPKHFHSA-N 359.473 4.463 0 40 FIAB Cc1ccc(-c2nc(NCCc3ccncc3)ncc2-c2cnccn2)s1 72340298 HINIXFQQVUIQSJ-UHFFFAOYSA-N 374.473 4.020 0 40 FIAB O=C(c1ccccc1I)c1ccnc2ccccc12 83317157 QWFVQXOIDVDXIU-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB COC(=O)c1ccc2c(c1)CCCN2Cc1ccc(F)c2cccnc12 83895858 MJWOQTUHCNEMCU-UHFFFAOYSA-N 350.393 4.113 0 40 FIAB CC(C)c1nnc(SCc2nc3ccccc3n2C)n1Cc1ccco1 84631255 NZCGQSACSGFEAD-UHFFFAOYSA-N 367.478 4.222 0 40 FIAB CN(C)c1cccc(C(=O)N2CCC(CSCc3ccco3)CC2)c1 85472469 PSDKHNJUFHHSSC-UHFFFAOYSA-N 358.507 4.131 0 40 FIAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(Oc2cccnc2)cc1 89814298 QUCQNYWULYWQKB-UHFFFAOYSA-N 373.412 4.253 0 40 FIAB CCN(CC)C(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695109 KEMCHZDXWPKFFX-UHFFFAOYSA-N 365.399 4.315 0 40 FIAB CCC(CC)c1cc(C(=O)NC2CCC(O)(c3ccccc3)CC2)on1 95940548 CRXKGUASYKIRJU-UHFFFAOYSA-N 356.466 4.138 0 40 FIAB O=C(Cc1cccc(Br)c1)NCc1ccc2ccccc2c1 222823602 HEJQZGAQFLQDQM-UHFFFAOYSA-N 354.247 4.461 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccccc2)s1 222874241 LTBUDAONVDXAAK-INIZCTEOSA-N 369.446 4.010 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 224706957 WSGUDXYKMYVPGO-KRWDZBQOSA-N 352.478 4.403 0 40 FIAB CCOc1cccc(NC(=S)NCc2ccc(OCC)c(OCC)c2)c1 225528711 VZHZITPSOMQQLF-UHFFFAOYSA-N 374.506 4.369 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CCC(Oc2cccc3cccnc23)CC1 225705253 ZRHVLIGGMWJKKS-UHFFFAOYSA-N 368.383 4.197 0 40 FIAB O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2ccccc2)C1 225901226 MSCCLSBGKPKVPH-INIZCTEOSA-N 351.475 4.147 0 40 FIAB O=C(COc1ccc(CO)cc1Cl)Nc1ccc(Cl)c(Cl)c1 408554716 UANQTBVWCNPKDB-UHFFFAOYSA-N 360.624 4.157 0 40 FIAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 408614439 CGOKDAKEGDWFJL-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB CCN(CC)c1ccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=O)oc2c1 408814366 PHUUSGUYYNDFMQ-OAHLLOKOSA-N 364.445 4.130 0 40 FIAB O=C(NCc1ccc(-c2cnc[nH]2)cc1)C1CCC(C(F)(F)F)CC1 633524207 VDVOEGBJAAMQHZ-UHFFFAOYSA-N 351.372 4.062 0 40 FIAB Cc1oc(-c2ccccc2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1C 681959251 QIUXOVFZCBYITL-UHFFFAOYSA-N 352.365 4.054 0 40 FIAB COc1ncccc1CN1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 2037988882 MNQNNOCPFSUUSW-JOCHJYFZSA-N 369.484 4.253 0 40 FIAB O=C(NC1CCCCC1)c1ccc(Br)cc1Br 682593 UWBHABQSZWYINE-UHFFFAOYSA-N 361.077 4.274 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1 974721 MNIXHTSENGSRCZ-UHFFFAOYSA-N 362.410 4.488 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 1306056 PEYGCVQGHBFGGT-SFHVURJKSA-N 371.481 4.051 0 40 FIAB O=C(COc1ccccc1Cl)Nc1c(Cl)ccc2nsnc12 2338310 WTJMTTYZFHOHHI-UHFFFAOYSA-N 354.218 4.016 0 40 FIAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 2887826 ZMYTXPFCMHGHIZ-UHFFFAOYSA-N 367.474 4.183 0 40 FIAB CCOc1ccc2nc(SCC(=O)c3ccc4c(c3)OCO4)sc2c1 3346557 LJHRKNYQSLRRCS-UHFFFAOYSA-N 373.455 4.399 0 40 FIAB Cc1ccc(C(=O)N2CCCc3ccccc32)cc1NC(=O)c1ccco1 3451496 ZGJSPMOAKIDFIZ-UHFFFAOYSA-N 360.413 4.433 0 40 FIAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc3ccccc3c2)cc1 4682330 ROYYQOFCJLKWLX-UHFFFAOYSA-N 350.443 4.040 0 40 FIAB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1cccs1 5171673 ZHHFCLMYWSZYJL-UHFFFAOYSA-N 368.439 4.070 0 40 FIAB O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ccccc1Cl 5362201 YCFCVYCBCWCCSV-UHFFFAOYSA-N 363.866 4.466 0 40 FIAB CCOc1ccc(-c2nnc3n2N=C(c2ccccc2Cl)CS3)cc1 5533302 PHMKCMTZGIINCJ-UHFFFAOYSA-N 370.865 4.355 0 40 FIAB Cc1nc2ccccc2n1CC(=O)N1CC[C@@H](C)Sc2ccccc21 5627716 RZSIPPQKPQFAMA-CQSZACIVSA-N 351.475 4.262 0 40 FIAB COc1cc(CC(=O)Oc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 5680550 PSFPHXQTLLATGA-UHFFFAOYSA-N 371.216 4.167 0 40 FIAB O=C1c2ccccc2C(=O)N1CSc1nc2cc(Cl)ccc2s1 6229509 QKZFVTHUGWIECW-UHFFFAOYSA-N 360.847 4.296 0 40 FIAB O=C(COc1ncnc2sccc12)N(c1ccccc1)C1CCCCC1 6589462 QCYPTSSPPONLHD-UHFFFAOYSA-N 367.474 4.436 0 40 FIAB Cc1cc(C(=O)COC(=O)/C=C/c2cccs2)c(C)n1CC(F)(F)F 6945583 FMMRMQPXGHYLLM-AATRIKPKSA-N 371.380 4.168 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 7495538 XFICMASKJJHHIC-HXUWFJFHSA-N 372.896 4.155 0 40 FIAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3nccs3)cc12 7654668 SHEPWZMAWYTXPN-UHFFFAOYSA-N 354.460 4.163 0 40 FIAB COc1ccc(-c2csc(CC(=O)Nc3cccc(C)c3)n2)c(OC)c1 7845743 AREPMOIJYFHQCQ-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB C[C@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1ccccc1 8193154 WFUTWPLVGUEYJH-GUYCJALGSA-N 350.447 4.181 0 40 FIAB O=C(COc1ccc2c(c1)OCO2)N(c1ccccc1)C1CCCCC1 8391951 RIOCHAQVBRUUTL-UHFFFAOYSA-N 353.418 4.160 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 8480849 CSDMPBSAVRGXEY-LBPRGKRZSA-N 364.239 4.172 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1 8499543 SXASBCHKGJQQFM-KRWDZBQOSA-N 368.477 4.095 0 40 FIAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)c1 8664957 QFHBEOLUSVQVBX-HXUWFJFHSA-N 368.392 4.246 0 40 FIAB CCOC(=O)c1c(N)c(C(=O)c2ccc(C(C)C)cc2)n2ccccc12 9316420 AVOYMTKKJUIZNV-UHFFFAOYSA-N 350.418 4.053 0 40 FIAB COc1cccc2cc(C(=O)Nc3c(C)cccc3C(C)C)c(=O)oc12 9316479 JWEVJBLNSQKEJU-UHFFFAOYSA-N 351.402 4.486 0 40 FIAB CCOc1ccc(-c2ccc(C)c(NC(=O)c3sc(C)nc3C)c2)nn1 11694197 FKCGESYVXYMPIZ-UHFFFAOYSA-N 368.462 4.176 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)c3ccc4nnsc4c3)s2)cc1 12274814 OFZYWDMDNSUDBX-UHFFFAOYSA-N 366.471 4.299 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)o1 12548919 AAJZWZQNSMYFRB-RDJZCZTQSA-N 372.896 4.338 0 40 FIAB O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12603844 TUXPHPCOUDTVSJ-HXUWFJFHSA-N 358.445 4.271 0 40 FIAB O=C(CCc1nc2ccccc2s1)NCc1coc(-c2cccs2)n1 12799205 SFSLVHVMDFEZFZ-UHFFFAOYSA-N 369.471 4.262 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1cccc(F)c1 12875753 XAUYKYSHOHQMQR-UHFFFAOYSA-N 372.421 4.313 0 40 FIAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(Br)s1 13938904 UBTPNPXAZJICTI-JTQLQIEISA-N 354.335 4.005 0 40 FIAB Cc1ccccc1/C=C/c1nc(SCC(=O)N(C)C2CCCCC2)n[nH]1 14162114 GJOQIMKCGAIQFF-OUKQBFOZSA-N 370.522 4.167 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1cnc2c(cnn2C(C)C)c1 14169045 PQBNAMBFIXTMOI-UHFFFAOYSA-N 362.886 4.389 0 40 FIAB CN(CC(=O)N1CCSc2ccccc21)Cc1c(F)cccc1Cl 14239106 WXEPVIKLDTVCGZ-UHFFFAOYSA-N 364.873 4.050 0 40 FIAB COc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2)cc1OC 16316404 MICVURLVBTVBLR-UHFFFAOYSA-N 350.871 4.186 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1 18703401 YYDRDWLUVFZEIC-NSHDSACASA-N 359.838 4.265 0 40 FIAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C)C1 19448917 SHIQQZFNKLNZFI-QHCPKHFHSA-N 350.506 4.133 0 40 FIAB CC(C)c1ncc(CN2CC[C@H](c3ccccc3)[C@H]3NCCCC[C@H]32)cn1 19454088 KFALZFPMAKTLMD-YPAWHYETSA-N 364.537 4.100 0 40 FIAB CCc1ncc(CN[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cn1 19523472 NNYLJVOJAMVVOP-MXNKGDRCSA-N 351.494 4.110 0 40 FIAB O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 19834657 QCVZMJCLXHNXEV-XMMPIXPASA-N 372.512 4.127 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 20490806 IRQLHEZKUDGEKQ-SJLPKXTDSA-N 371.477 4.355 0 40 FIAB CCOc1cc2c(cc1OCC)[C@H](c1cc(F)c(F)c(F)c1)NCC2 20506975 RCVMBCBJDKISLF-IBGZPJMESA-N 351.368 4.136 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCc1nnsc1Cl 20992066 ONQRAXONBGECDI-UHFFFAOYSA-N 369.830 4.120 0 40 FIAB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)C(C)C)ccc2o1 21596352 PRQSZHWKNIOJHM-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)OCc1nnc(-c2ccc(F)cc2)o1 24929663 GCLFCDFDXSDLTE-UHFFFAOYSA-N 365.364 4.033 0 40 FIAB COCc1ccccc1CNC(=O)N[C@@H](c1ccccc1)c1cccs1 26389816 HBKNFWWYFOXIJY-FQEVSTJZSA-N 366.486 4.483 0 40 FIAB COc1ccc(CC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662757 LKIMYFHDLCWDES-IBGZPJMESA-N 372.534 4.033 0 40 FIAB COc1cccc(Nc2nc(Nc3cc(C)ccc3C)c3cnn(C)c3n2)c1 27666435 CKJHFXGXPMYVSJ-UHFFFAOYSA-N 374.448 4.476 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ncc(Br)s1 27935121 OIIINCYXWYBYQO-UHFFFAOYSA-N 363.236 4.076 0 40 FIAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)NCc3cccs3)cc2)cs1 28889475 QCYOSHXDSHPMSK-LBPRGKRZSA-N 357.504 4.297 0 40 FIAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1c(F)cccc1F 32609685 GOOKWRODDYZINI-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Sc2ncc(-c3ccc(Cl)cc3)o2)no1 32872092 HBYNUKZROAQCNR-SNVBAGLBSA-N 363.826 4.411 0 40 FIAB CC1(C)Oc2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2O1 32932423 SUIWYTDJFSYYIL-UHFFFAOYSA-N 366.461 4.432 0 40 FIAB CN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1ccccc1 37212964 PIIFSMMXKWSOTG-FQEVSTJZSA-N 368.527 4.420 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 40285194 DDMBSYGXZDIHLK-INIZCTEOSA-N 355.344 4.283 0 40 FIAB Cc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)no1 44187382 DFNJXTAYPVYDPP-UHFFFAOYSA-N 356.765 4.108 0 40 FIAB Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C3CCCC3)c2)c1 47409141 FXWCWXAOYPQUOC-UHFFFAOYSA-N 351.450 4.445 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)N(CCO)Cc1ccsc1 52234708 TXCOFSGCQJOVSG-UHFFFAOYSA-N 360.479 4.096 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)N1CC(c2nc3ccccc3[nH]2)C1 56924052 AZACXIYZXSECAN-UHFFFAOYSA-N 371.440 4.354 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cnc21 58216732 JJDGTXPRIZWFOA-UHFFFAOYSA-N 353.813 4.399 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccnn2C2CCCCC2)c1 58323567 NQNDBKZVNTYIIK-AWEZNQCLSA-N 369.469 4.229 0 40 FIAB Cc1noc(C)c1CN1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 59363488 PYMWBZBDAUFPPC-QGZVFWFLSA-N 365.518 4.149 0 40 FIAB CN(C)c1c(F)cc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1F 65103380 LXKCKWWGIDKFLB-UHFFFAOYSA-N 372.415 4.121 0 40 FIAB Cc1nnc([C@H]2Cc3ccccc3CN2Cc2cccc3cccnc23)o1 65514467 KQJVRZLQKCMUFK-HXUWFJFHSA-N 356.429 4.226 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN1Cc1csc(C2CCCC2)n1 70018956 NYSRPUYIMKPUSC-GOSISDBHSA-N 355.507 4.404 0 40 FIAB Cc1nc(NC(=O)CN(C)c2nc3c(C)ccc(C)c3s2)sc1C 70640900 YIFXQLQWWPSRLF-UHFFFAOYSA-N 360.508 4.061 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)C3CCOCC3)c2C(=O)c2ccco2)C1 71874143 RXPZIQCBXHBVHH-LBPRGKRZSA-N 373.474 4.062 0 40 FIAB Cc1cc([C@@H](O)CCNC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)o1 85562133 ZHVCQQWDGWLPDF-HNNXBMFYSA-N 357.237 4.448 0 40 FIAB Cc1cc(OCC(=O)NCCSCc2ccccc2F)ccc1Cl 218938995 XZRSFBCCPBJTEK-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)c(C)c1 222809977 VCMYBNIJMNKLEK-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1C(C)C 223229244 PCUPQCNZDYWIEB-HNNXBMFYSA-N 373.518 4.347 0 40 FIAB O=C(O)[C@H](Cc1ccc(Br)cc1)Oc1cccc(Cl)c1 225065505 IOHGMCFXEWRMMN-AWEZNQCLSA-N 355.615 4.177 0 40 FIAB CC(C)(C)OC(=O)NC[C@@H]1C(=O)c2ccccc2C[C@@H]1c1ccccc1 225752787 ZBGDYJWKCPTUHK-MOPGFXCFSA-N 351.446 4.350 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2cccc(Cl)c2)no1 225810123 XHNWWCWUAIHUDV-CYBMUJFWSA-N 367.836 4.300 0 40 FIAB C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1cccc(F)c1 227152695 MCWMWVPBEQYQRM-LBPRGKRZSA-N 359.788 4.071 0 40 FIAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCCN3Cc3ccncc3)cn2)n1 257224863 FDSZTHXJTYRPGI-FQEVSTJZSA-N 374.492 4.354 0 40 FIAB CCc1ccc(NC(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)cc1 408713158 MERKTKDVJHGODH-UHFFFAOYSA-N 354.837 4.490 0 40 FIAB O=C1NC(=O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)N1 408917505 VWGKZIALAKEXHZ-UDWIEESQSA-N 367.408 4.023 0 40 FIAB Cc1nc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)c(C)o1 585085719 FAJRMJCMCKWTRR-UHFFFAOYSA-N 361.445 4.349 0 40 FIAB Cc1cnc(Nc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)s1 643550869 QHNONBVJWQHMGT-UHFFFAOYSA-N 370.522 4.486 0 40 FIAB O=C1CCCc2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@H]43)ccc2N1 672163494 IPSDMIRDIMHPHG-KCZVDYSFSA-N 374.484 4.370 0 40 FIAB O=C(C1CC(F)(F)C1)N1CC[C@@]2(COc3ccc(-c4ccccc4)cc32)C1 1565554592 VLFGPEKPBSHQFV-NRFANRHFSA-N 369.411 4.261 0 40 FIAB Fc1cc(Cl)cnc1N1CCC(COc2ccncc2Cl)CC1 1889111336 OCHZAZHWPDZZAE-UHFFFAOYSA-N 356.228 4.218 0 40 FIAB O=C(NC[C@@]1(O)CCCc2sccc21)Nc1ccccc1C(F)(F)F 1889148972 GQHVULMXURUUIS-INIZCTEOSA-N 370.396 4.113 0 40 FIAB Cc1ccc([C@@H](O)[P@@](=O)(OCC(C)C)c2ccc(N(C)C)cc2)cc1 2399257 COQSVVQACJIPSF-CPJSRVTESA-N 361.422 4.328 0 40 FIAB CC(C)N(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl)C(C)C 2635873 WSGIKZICDRGGLE-SOFGYWHQSA-N 358.265 4.195 0 40 FIAB CN(C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714081 LCFWFLDEKVUPBD-UHFFFAOYSA-N 371.488 4.451 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CCC2CCCC2)c(Br)c1 3348918 IEJQWWVZBSWJST-UHFFFAOYSA-N 368.271 4.210 0 40 FIAB Cc1ccccc1SCC(=O)NCC1(N2CCCCC2)CCCCC1 3363825 VSGYLUYQVLALIV-UHFFFAOYSA-N 360.567 4.392 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 3908266 YNIIFZYHTQXSCN-UHFFFAOYSA-N 356.765 4.034 0 40 FIAB Cc1ccc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)cc1C 4315508 HXFOJICKRJELTI-UHFFFAOYSA-N 351.475 4.216 0 40 FIAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N(C)C)CC[C@@H](C)C2 4551024 KFCICULNGXERTH-GFCCVEGCSA-N 356.491 4.135 0 40 FIAB CCOc1ccc(N(C(=O)Nc2ccc(OC)cc2)C2=NCCC2)cc1 4570560 MGINUBZJXGAJDG-UHFFFAOYSA-N 353.422 4.325 0 40 FIAB CC(C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1Cl 4690513 MBOCUCWLRZPAIR-GZTJUZNOSA-N 370.836 4.220 0 40 FIAB Cc1csc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 5101427 MIHQVEZUFRMWEK-IHWZXDPASA-N 350.553 4.265 0 40 FIAB COC(=O)c1c(NC(=O)CSc2ccccc2)sc2c1CCCC2 5192142 CINRRPOQIUPCMX-UHFFFAOYSA-N 361.488 4.144 0 40 FIAB COc1cccc(C(=O)Nc2nc3c(SC)cccc3s2)c1OC 5299277 WFGQGCQQDJCBGI-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1 5540735 YZZDWASLJQOYSI-UHFFFAOYSA-N 373.408 4.287 0 40 FIAB O=c1c2oc3ccccc3c2ncn1Cc1csc(-c2ccccc2)n1 5563384 NNAZQAXFLSTCJU-UHFFFAOYSA-N 359.410 4.315 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2c1CCC2 6201075 NLVDEUKIUYSDQD-UHFFFAOYSA-N 368.289 4.311 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1 6297787 WCPFIOWYYAPMBF-UHFFFAOYSA-N 368.824 4.431 0 40 FIAB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1Cc1ccccc1Cl 6500682 KZVAURHUTTVFRP-UHFFFAOYSA-N 372.925 4.366 0 40 FIAB COc1cc(OC)cc(C(=O)N(c2ccccc2)c2nc(C)cs2)c1 6639204 ITRAZAVXZMEYAF-UHFFFAOYSA-N 354.431 4.447 0 40 FIAB O=C(c1ccc(-n2cccn2)cc1)N(Cc1ccco1)Cc1cccs1 6648179 JKILUDWPKAIHCL-UHFFFAOYSA-N 363.442 4.369 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)Cc1c(Cl)cccc1Cl 6652171 OGRALCKLIIVYCZ-UHFFFAOYSA-N 362.260 4.010 0 40 FIAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cccc(Br)c2)c1 7541357 DLMCWOQUYPMFPN-LBPRGKRZSA-N 362.223 4.058 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2)c1 7601325 HMLNZHQIAXDVAX-UHFFFAOYSA-N 354.479 4.216 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cc(F)c(Cl)cc1Cl 7989514 ACKLLRJMWKJPRV-MRVPVSSYSA-N 356.180 4.352 0 40 FIAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)C1CC1 8132179 UBFBQLFLKZRQGF-OAHLLOKOSA-N 361.445 4.076 0 40 FIAB Cc1ccc(SCC(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1 8189913 UGPIJGCCTAUAGO-UHFFFAOYSA-N 356.491 4.112 0 40 FIAB Cc1ccc(C)c(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c1 8370022 FFKZVDWCTCKMRQ-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB Cc1ccccc1NC(=O)Cn1nc(COc2ccccc2C)oc1=S 8571395 NOZYJXLCMHPWGX-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1cccc(F)c1 8993600 FYHKBBWKJVAJDP-FQEVSTJZSA-N 362.360 4.326 0 40 FIAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccoc1C 9495300 JWOPXQRXIAGVPS-UHFFFAOYSA-N 371.462 4.370 0 40 FIAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)nc1 10056588 LYUBZMCPVAKZGM-LJQANCHMSA-N 358.397 4.097 0 40 FIAB CCOc1cccc(CNCCCn2ccnc2)c1OCc1ccccc1 10313998 WIBZRXDMNMQDOY-UHFFFAOYSA-N 365.477 4.041 0 40 FIAB O=C(c1cc(Cl)ccc1F)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546409 KWZRZKPOQGIVHQ-LBPRGKRZSA-N 357.816 4.375 0 40 FIAB COc1ccc([C@@H]2CN(C[C@H](C)c3ccccc3)C[C@H]2c2cc[nH]n2)cc1 12128544 PLDVYRZCXMGCLN-BULFRSBZSA-N 361.489 4.405 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)N[C@H](c1ccc(Cl)cc1)C1CC1 12547946 NVKPVIKRJFNDJN-FQEVSTJZSA-N 353.853 4.416 0 40 FIAB C[C@H](Sc1n[nH]c(/C=C/c2ccc(F)cc2)n1)C(=O)NC1CCCCC1 12806674 XTXVJWKBBIWTDW-SRXBQZRASA-N 374.485 4.044 0 40 FIAB CN(Cc1ccc2ccccc2c1)C(=O)CCCNC(=O)c1ccsc1 12925576 JHOJXLNHLGSUAO-UHFFFAOYSA-N 366.486 4.070 0 40 FIAB COc1ccc(OCCSCCC(=O)Nc2ccc(F)c(F)c2)cc1 13019542 GAHBZUXGIYAAEE-UHFFFAOYSA-N 367.417 4.114 0 40 FIAB CCOc1ccc2sc(SCC(=O)Nc3nc(C)cs3)nc2c1 13941978 HSLIJJDXGXTKLN-UHFFFAOYSA-N 365.505 4.191 0 40 FIAB O=C(CCc1nc2ccccc2s1)OCc1ccc(-n2cccn2)cc1 14674951 USNVHVJECATBLO-UHFFFAOYSA-N 363.442 4.158 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cc(Br)c[nH]1 14846299 SCFHEYYRMBDGLJ-UHFFFAOYSA-N 361.195 4.098 0 40 FIAB C[C@@H]1CC(=O)c2c(OC(=O)c3ccccc3OC(F)F)ccc(F)c21 15635236 XPTJCLOZJKZUEI-SECBINFHSA-N 350.292 4.336 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 15695760 NIXMWVLVTDGVPO-ZDUSSCGKSA-N 361.388 4.204 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC)cc1 17270854 FVESHHASPDFYNK-UHFFFAOYSA-N 366.461 4.417 0 40 FIAB Cc1c(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)oc2ccccc12 19566406 NJQTUIUVBOQHPS-GBXCKJPGSA-N 374.484 4.380 0 40 FIAB CC(C)c1ccc(CN2CCN(C(=O)c3cccc4cccnc34)CC2)cc1 19618222 PMUPUUODNOXPCI-UHFFFAOYSA-N 373.500 4.316 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2c[nH]nc2C)n1 19691275 BNZVRMVYVTXKBT-FQEVSTJZSA-N 364.424 4.205 0 40 FIAB OC(CNCc1ccccc1F)(c1ccc(F)cc1)c1ccc(F)cc1 20365927 MEZDYAUFXCCUST-UHFFFAOYSA-N 357.375 4.130 0 40 FIAB CCc1c(C)n(Cc2cccc(Cl)c2)c2nc3ccccc3n2c1=O 20798280 BZGIZPOFQZKNII-UHFFFAOYSA-N 351.837 4.222 0 40 FIAB C[C@H](CC(=O)Nc1ccccc1SC(F)F)NC(=O)c1ccccc1 21706234 WJGNSHJSMMJPOE-GFCCVEGCSA-N 364.417 4.148 0 40 FIAB CCOCCCNC(=O)C[C@@H](c1ccccc1)c1cc(Cl)ccc1O 24544556 SYXNCKHFOJFKCM-KRWDZBQOSA-N 361.869 4.110 0 40 FIAB O=C(CSc1ccc(C(F)(F)F)cn1)NCC1(c2ccccc2)CC1 26346990 QLPRXANFDFWAEO-UHFFFAOYSA-N 366.408 4.041 0 40 FIAB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)Cc1nc2ccccc2s1 27367089 BEOJULNUCRCASJ-KRWDZBQOSA-N 369.490 4.154 0 40 FIAB Cc1nc(-c2ccccc2)c(C(=O)N(C)Cc2nc3ccccc3[nH]2)s1 28986756 WSVVBEIZEMUBLK-UHFFFAOYSA-N 362.458 4.267 0 40 FIAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1c[nH]c(=S)n1-c1ccccc1 29352779 PCMLDCYEFUCULJ-UHFFFAOYSA-N 367.459 4.239 0 40 FIAB COc1ccc2cc(C(=O)NCc3ccccc3COC(C)C)[nH]c2c1 30367726 ZWDAUFIGXRJDCR-UHFFFAOYSA-N 352.434 4.032 0 40 FIAB Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3C)cs2)o1 32320691 PHBFYVWZAOGTED-UHFFFAOYSA-N 358.448 4.392 0 40 FIAB O=C(CSCc1cccc(Br)c1)Nc1ccccc1F 32794331 IOUWGVKDKSRMNL-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)NCc1cccc(Cl)c1 33000762 GIVMZSYJMQLPRC-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB O=C1C[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c2ccccc2N1 40117530 TUZQJNZPCCLCCC-RXVVDRJESA-N 366.436 4.299 0 40 FIAB c1ccc(-c2cnc(CN3CCCN(Cc4cccs4)CC3)o2)cc1 42146482 AFCVQBIXBVPDFH-UHFFFAOYSA-N 353.491 4.111 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(CN2CCCC2)c1 46375808 KSVOAGSJPVKKBU-INIZCTEOSA-N 372.896 4.020 0 40 FIAB CC[C@@H](C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1ccccc1 46610076 SRZMQLCMHLHTPM-MRXNPFEDSA-N 356.853 4.365 0 40 FIAB O=C(O)[C@@H]1CCCN1c1nc(-c2ccccc2)nc2c1oc1ccccc12 56979751 VZFNXSLYHRQNPS-HNNXBMFYSA-N 359.385 4.096 0 40 FIAB COc1ccc(-c2ccc(CNCCOc3ccccn3)o2)cc1Cl 57354918 JGJOVLVBTHRPIK-UHFFFAOYSA-N 358.825 4.172 0 40 FIAB Cc1ccc(Cn2nc(C)c(CNC3CC(C)(C)NC(C)(C)C3)c2C)cc1 57992095 YICQWIYCXHRRBM-UHFFFAOYSA-N 368.569 4.255 0 40 FIAB C[C@H](CNC(=O)NCc1ccc(-c2ccccc2F)o1)CN1CCCCC1 58175519 YLICWXUAKXZYHL-MRXNPFEDSA-N 373.472 4.007 0 40 FIAB Cc1sc2ncn(Cc3cccc(OC(F)(F)F)c3)c(=O)c2c1C 61720768 YVQONKWPMVSMMS-UHFFFAOYSA-N 354.353 4.022 0 40 FIAB COc1ccc(Cl)c2ccc(-c3nn4c(C(C)C)nnc4s3)nc12 61721659 UFHONIUPJCWKKR-UHFFFAOYSA-N 359.842 4.186 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 61997311 KLVVKHWAJQXVHJ-SFHVURJKSA-N 356.853 4.146 0 40 FIAB O=C(CCCc1ccccn1)NCc1ccc(-c2nc3ccccc3[nH]2)cc1 66623846 QNNRFBZKEZAJCE-UHFFFAOYSA-N 370.456 4.264 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Cl)nc2C)cc1 72217939 NYLCCADYHLDGNX-KRWDZBQOSA-N 364.898 4.268 0 40 FIAB Cc1cccc(Cl)c1NC(=O)COC(=O)Cc1ccc(Cl)cc1 72333752 UQWSWPWXZZPETP-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)c2ccccc2)n1 72360181 FCPJQUZZEQHGFU-IBGZPJMESA-N 373.460 4.209 0 40 FIAB Cn1nnc2cc(C(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)ccc21 84839080 JORNPTYLPAZREH-BPOBUFBUSA-N 360.461 4.067 0 40 FIAB CCOc1ccc(N(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 95960746 QGFYNWZUQWTEJL-UHFFFAOYSA-N 350.418 4.254 0 40 FIAB COc1ccc(C(=O)Nc2c(C)c(C3CC3)nn2-c2ccccc2)cc1F 97001794 ZTICQRVWVFZPBO-UHFFFAOYSA-N 365.408 4.458 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccccc1C)CC(C)(C)O2 219289321 IJGHJLJWMHFFIG-WMZOPIPTSA-N 353.462 4.489 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)cc1 222945244 GFIZCNYNOHKCEO-GOSISDBHSA-N 355.434 4.276 0 40 FIAB CCc1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1OC 222998515 UDYHZGLYGKPJPL-HNNXBMFYSA-N 373.518 4.176 0 40 FIAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1 223210307 HHJVMYHHSKLUHO-UHFFFAOYSA-N 374.487 4.385 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(OC)c(C)c1 223650671 FICWDVVLQYDQNK-VQTJNVASSA-N 371.477 4.437 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 223650734 FICWDVVLQYDQNK-UXHICEINSA-N 371.477 4.437 0 40 FIAB CC(C)Oc1cccc(CNC(=O)COc2ccc3c(c2)CCCC3)c1 224588411 YGEFLCFXQGWBFH-UHFFFAOYSA-N 353.462 4.048 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224675919 MAEKOGYIFYUBJQ-LJQANCHMSA-N 366.505 4.065 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(Cl)cc2)c1 225305077 OWHKSIMJMJVHMX-UHFFFAOYSA-N 369.273 4.267 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)NCCC2=CCCCC2)c1 225354958 PGWVFOBZXPBIEL-UHFFFAOYSA-N 352.887 4.304 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1C 225708349 UFVTVMMUIUVURN-INIZCTEOSA-N 367.518 4.478 0 40 FIAB CCCC[C@](C)(OCCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225907658 VJPLNXYZCSLKBW-FQEVSTJZSA-N 366.502 4.119 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O 243820394 QUWYVCMQUHPENN-INIZCTEOSA-N 370.880 4.456 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(F)c4)OCC[C@@]31C2 257237024 HEWBOKBXLMHVQD-DACVQLFUSA-N 363.448 4.373 0 40 FIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(Cl)cc1Cl 408714066 HRHMWTKJNVNJCL-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB OC[C@@H](CNCc1ccc2occc2c1)Cc1cccc(Br)c1 511789537 WRQWCASTKVCJDH-MRXNPFEDSA-N 374.278 4.136 0 40 FIAB Cc1cc(=O)c(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCCC2)c[nH]1 675513229 RGCHKJQCGIHORG-IBGZPJMESA-N 358.869 4.388 0 40 FIAB CCCc1cc(C(=O)NCc2ccc(Cl)cc2OC(C)C)cc(O)n1 1153707517 MKNNBURDQKEQCZ-UHFFFAOYSA-N 362.857 4.110 0 40 FIAB CCc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCCC2 2271992 CGYXOLMHFCZZPP-LBPRGKRZSA-N 368.506 4.272 0 40 FIAB CN(C)CCCNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 2752996 MZYNXKUFJXPYKU-UHFFFAOYSA-N 368.521 4.245 0 40 FIAB O=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccccc2F)n1 2786676 ODCMTXWTABAMEW-UHFFFAOYSA-N 363.751 4.104 0 40 FIAB FC(F)Oc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 2796725 UDEOLVYKEAKNFS-UHFFFAOYSA-N 372.400 4.486 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 3240970 GAVPCCOHGFLQFR-MQIPJXDCSA-N 369.914 4.160 0 40 FIAB COc1cc(SC)ccc1C(=O)OCC(=O)c1ccc(Cl)s1 3242001 IICGULNHWUVGMP-UHFFFAOYSA-N 356.852 4.172 0 40 FIAB CCCn1nc(C(=O)Nc2ccc3ccccc3c2)c2ccccc2c1=O 3300599 FMDFFKCFMWLVRU-UHFFFAOYSA-N 357.413 4.212 0 40 FIAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 3326897 PNBAUVYSXUMGAJ-LLVKDONJSA-N 354.233 4.258 0 40 FIAB COc1ccc(OC)c(NC(=O)CCCc2nc3ccccc3s2)c1 3504349 ALFLMNXIBNRXLA-UHFFFAOYSA-N 356.447 4.275 0 40 FIAB Cc1cccc(CSC2=NCCN2C(=O)COc2ccc(Cl)cc2)c1 4120224 LJLRRFOEJPUDLD-UHFFFAOYSA-N 374.893 4.159 0 40 FIAB CCCCCCC(=O)N1CCC[C@H](c2nc(-c3cccc(OC)c3)no2)C1 4711095 ZLMLNTLAXRAHSA-KRWDZBQOSA-N 371.481 4.422 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1OC 5193371 RLAYBGBFHBLOIA-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)n1 5615506 AYELUJHJEVKWTK-SOFGYWHQSA-N 366.273 4.223 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ncn[nH]3)ccc21 5620772 FHXHQVJXSOUBPW-GFCCVEGCSA-N 365.462 4.052 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)C(c1ccccc1)c1ccccc1 5632770 LLWSIAIIXGFSHA-UHFFFAOYSA-N 374.440 4.424 0 40 FIAB O=S(=O)(Nc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 6623472 FJGZSRZTVCZSPK-UHFFFAOYSA-N 367.455 4.159 0 40 FIAB CN(C)C(=O)[C@H](Sc1ncc(-c2ccccc2)n1C)c1ccccc1 6650113 AUXHXNSHVWQETC-GOSISDBHSA-N 351.475 4.009 0 40 FIAB O=C(OCc1nc(-c2cccs2)no1)c1cccc(C(F)(F)F)c1 7170191 BVXMWDSWQVZCKG-UHFFFAOYSA-N 354.309 4.174 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(-c2ccccc2)on1 7321922 KJDKSRFZJKUVRG-UHFFFAOYSA-N 354.715 4.224 0 40 FIAB Cc1cc(OCC(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)ccc1Cl 8130626 LFOVHMCESUFOHW-CYBMUJFWSA-N 372.808 4.382 0 40 FIAB CCOc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1OC(F)F 8179128 LYEWCJLSFGHIRO-KAMYIIQDSA-N 359.328 4.031 0 40 FIAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(C(=O)NC2CC2)c1 8230294 OKCRCLSUESBALS-UHFFFAOYSA-N 374.440 4.410 0 40 FIAB Clc1ccc(-c2cnc(CSc3nnnn3C3CCCC3)o2)cc1 8339799 OATSPXUHYKGZDG-UHFFFAOYSA-N 361.858 4.389 0 40 FIAB O=C(COc1ccc(-c2ccccc2)cc1Br)N1CCCC1 8566766 LHLYYNDWIMZAIR-UHFFFAOYSA-N 360.251 4.117 0 40 FIAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2cccs2)c1 8993776 WQYZUWFKJBYZBV-UHFFFAOYSA-N 357.456 4.071 0 40 FIAB CN1CCN(c2ccccc2NC(=O)c2cc3cc(Cl)ccc3o2)CC1 9613665 HRIHYDAYRCDODW-UHFFFAOYSA-N 369.852 4.090 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccccc1Cl 10447716 GJPJNVRUAZZURW-GFCCVEGCSA-N 356.857 4.465 0 40 FIAB COc1ccc(-c2nnc3sc(-c4cc(C)nc5ccccc45)nn23)cc1 12408450 PADVICASBOMYQQ-UHFFFAOYSA-N 373.441 4.385 0 40 FIAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NC3CC3)o2)cc1 12419290 KIIGJAZLPHLTKB-UHFFFAOYSA-N 368.458 4.366 0 40 FIAB Cc1cccc(-n2ccnc2SCc2nc3c(C)cccc3c(=O)[nH]2)c1 12520037 FSJWGAJUNFONJQ-UHFFFAOYSA-N 362.458 4.018 0 40 FIAB Cc1cccc(N2CCN(C(=O)COc3cc(C(C)C)ccc3C)CC2)c1 12615619 FSYRZBQIZWYKSF-UHFFFAOYSA-N 366.505 4.154 0 40 FIAB CC(C)c1n[nH]c(S[C@H](C(=O)Nc2ccccc2)c2ccccc2)n1 12757527 MDBQIWPGAFBPAL-INIZCTEOSA-N 352.463 4.400 0 40 FIAB O=C(CCNC(=O)c1cccs1)Nc1ccc2c(c1)Cc1ccccc1-2 12930499 NVDUOURQUKOXTL-UHFFFAOYSA-N 362.454 4.078 0 40 FIAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(-c2ccccc2)cc1 13720566 VYHRXCUCGJQOGM-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 14134689 RJTBNPLFTVEAFW-NSHDSACASA-N 361.854 4.262 0 40 FIAB C[C@H]1C[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14197437 IDZUSSSWQMMHTJ-GXSJLCMTSA-N 352.312 4.145 0 40 FIAB c1cncc(CN(Cc2ccco2)Cc2c[nH]nc2-c2cccs2)c1 19338710 MPENUCBKXGZRPD-UHFFFAOYSA-N 350.447 4.329 0 40 FIAB CCOc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1OCC 19628030 BZPKZHSWESTKED-UHFFFAOYSA-N 369.396 4.061 0 40 FIAB O=C(NCCc1csc(-c2ccncc2)n1)Nc1cccc(Cl)c1 19942533 ZWIZMICIDKAJGW-UHFFFAOYSA-N 358.854 4.223 0 40 FIAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(Br)o1 20139779 CKSGNWGDZPCZDI-UHFFFAOYSA-N 362.179 4.047 0 40 FIAB CCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1cccc2ccccc12 20797774 OWPBLLLQGKDWGG-UHFFFAOYSA-N 374.444 4.381 0 40 FIAB COc1cccc(-n2c3c(c(SCc4ccccc4)nc2=O)CCC3)c1 21800780 WORUVEYMGFLEJW-UHFFFAOYSA-N 364.470 4.022 0 40 FIAB O=C(/C=C/c1ccco1)Nc1ccccc1-c1nc(-c2ccncc2)no1 22461987 IQKXJBUQOAJVAE-BQYQJAHWSA-N 358.357 4.044 0 40 FIAB Cc1ccc(C)c(OCc2nnc(SCc3nnsc3Cl)o2)c1 24078570 OAUOMSUHPPDNIF-UHFFFAOYSA-N 368.871 4.063 0 40 FIAB O=C(Nc1ccccc1F)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 27749758 ASKUEDSGNUEGIO-UHFFFAOYSA-N 352.148 4.491 0 40 FIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(CN2CCCCC2)cc1 31536788 OPHKOIPROXGCFT-UHFFFAOYSA-N 360.461 4.315 0 40 FIAB O=C(C[S@](=O)Cc1ccc(Cl)cc1Cl)NC1CCCCCC1 32765048 PSOGKDOUPAYASY-QFIPXVFZSA-N 362.322 4.081 0 40 FIAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccccc1F 33527770 RGVPTKLYWIXCGC-LICLKQGHSA-N 373.405 4.127 0 40 FIAB O=C(c1cnn(Cc2ccccc2Cl)c1)N1CCCc2ccccc21 36883798 ZMMGSFNYSGSKEU-UHFFFAOYSA-N 351.837 4.178 0 40 FIAB CCCCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 39768145 XBTWPONMLZALIM-UHFFFAOYSA-N 364.405 4.118 0 40 FIAB Cc1cc(Br)ccc1NCC(=O)Nc1cc(C(C)(C)C)no1 39990582 HQTDVPJUWAJCEC-UHFFFAOYSA-N 366.259 4.094 0 40 FIAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccc(OC(F)F)cc1 40103170 KXYPCZQMAPONBH-GFCCVEGCSA-N 350.365 4.136 0 40 FIAB Cc1nnc([C@@H]2CCCN(C(=O)NCc3cccc4ccccc34)C2)s1 44204487 YCGYETHXNZRTCZ-QGZVFWFLSA-N 366.490 4.089 0 40 FIAB CSc1ccccc1NC(=O)Cc1csc(Nc2cccc(C)n2)n1 49029591 OVXLWXBZGNEVJT-UHFFFAOYSA-N 370.503 4.493 0 40 FIAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2ccc(O)cc2)C1 49550005 CKQAHAALWHHFEN-INIZCTEOSA-N 353.809 4.414 0 40 FIAB Cc1nc(C)c([C@@H](C)NC(=O)Nc2cccc(N3CCCC3=O)c2C)s1 56633981 MNVFYLWSYUWTGM-CYBMUJFWSA-N 372.494 4.078 0 40 FIAB O=C(Nc1nc[nH]n1)c1oc2ccccc2c1CSc1cccs1 58208673 PSVQVYKUWKTTFL-UHFFFAOYSA-N 356.432 4.157 0 40 FIAB CC1CCC(NC(=O)Nc2cc(C(=O)N3CCCC3)ccc2Cl)CC1 58391694 YNFDKRMXBPJALU-UHFFFAOYSA-N 363.889 4.276 0 40 FIAB COc1c(C)cnc(CN(C)C(=O)c2cc3cc(Cl)ccc3o2)c1C 60216093 VZHYFWFSGHXHQM-UHFFFAOYSA-N 358.825 4.379 0 40 FIAB O=C(NOCc1ccccc1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 60609133 ZHEJKIOBCCZOPZ-UHFFFAOYSA-N 355.825 4.021 0 40 FIAB CCCO[C@@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 62227749 VNTZINZTVBOJDS-GFCCVEGCSA-N 352.887 4.428 0 40 FIAB CCOC(=O)c1cccc(Nc2ccnc3cc(OC)c(OC)cc23)c1 64873619 AFLNYVLNPZNCAL-UHFFFAOYSA-N 352.390 4.172 0 40 FIAB CC(C)CCCNC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 65566146 SUIUUMIYVBNATL-UHFFFAOYSA-N 354.454 4.438 0 40 FIAB Cc1cc(NC(=O)CCN(Cc2ccc(Cl)c(Cl)c2)C2CC2)no1 71950399 FBIJPBUOMIMJDW-UHFFFAOYSA-N 368.264 4.283 0 40 FIAB Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)co1 72350449 WZPFALPGPJVTLW-MRXNPFEDSA-N 365.408 4.204 0 40 FIAB CC1(C)[C@H]2CC=C(COC(=O)C[C@H]3Sc4ccccc4NC3=O)[C@@H]1C2 84673947 FCOPJASGXUCDEI-GRDNDAEWSA-N 357.475 4.025 0 40 FIAB CCCc1nc2ccccc2n1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 84759060 GSWDGRINIUXGLP-QGZVFWFLSA-N 362.477 4.016 0 40 FIAB Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)NC(=O)OC(C)(C)C)c1 95462289 DNKFZGHDZWPDHK-NVXWUHKLSA-N 361.486 4.295 0 40 FIAB COc1ccc(CN[C@H](C)[C@@H](OC)c2ccccc2F)cc1OCC1CC1 95989241 FGOSSAKNMKYADT-IVZQSRNASA-N 373.468 4.489 0 40 FIAB CO[C@H]1CCCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)C1 96122445 MSTXCNZDFMIZGO-FQEVSTJZSA-N 370.518 4.174 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@@H]3C2(C)C)cc1 100251755 YBRGUZBUTBKHJL-XOBRGWDASA-N 368.506 4.086 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(OC)c(Cl)cc1OC 216465433 NDXSHBXZWUGSEO-OAHLLOKOSA-N 363.841 4.462 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)n1cc(C(=O)OC)c2ccccc21 222620084 OAWRQRSZVQGPLD-IBGZPJMESA-N 351.402 4.234 0 40 FIAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCC 222832294 MJQXIZMSZBKIBV-HNNXBMFYSA-N 352.906 4.164 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC12CC3CC(CC(C3)C1)C2 223140722 OAOQJZLMHOLENW-LRYXAPPNSA-N 353.506 4.418 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cc(C)cc(C)c1 224096393 KJJFKXXBGUWXLV-IBGZPJMESA-N 361.869 4.309 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 224159183 NWPJBPMLBWNESC-NRFANRHFSA-N 371.477 4.000 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 224269431 NWOXGWIHRQJAGD-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@H](C)CCc3ccccc3)ccc2c1 225210879 VBNHAKZNNCVISE-MRXNPFEDSA-N 369.486 4.148 0 40 FIAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](Cc4ccccc4)OCC[C@@]31C2 257273510 NGWMBGJQGKKCKB-HFEVTZJPSA-N 355.522 4.355 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2ccnc(-c3ccc(C(=O)O)cc3)c2)CC1 257307961 TUWSZMFIXANVND-UHFFFAOYSA-N 366.461 4.199 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(OC)c1C 408967720 XEJPNVBJGZCDDJ-LFIBNONCSA-N 355.415 4.253 0 40 FIAB O=C(NCc1cc(F)c(C(F)(F)F)cc1F)[C@@H]1CCc2cccc(O)c21 552146446 IAELYHQGEXRDRB-LLVKDONJSA-N 371.305 4.035 0 40 FIAB C[C@@H]1CN(C(=O)c2csc(C(F)(F)F)n2)CCc2ccc(F)cc21 650906924 SCKGJINRXAGOKM-SECBINFHSA-N 358.360 4.103 0 40 FIAB O=S(=O)(N[C@H](c1c[nH]c2ccccc12)C1CC1)c1ccc(Cl)cc1 1776002118 LGIKPXRQJJCXRY-SFHVURJKSA-N 360.866 4.251 0 40 FIAB Cc1ccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)nc1 2037988896 MWNQGYLCHVTKLH-UTKZUKDTSA-N 353.485 4.409 0 40 FIAB CCOc1ccc2cc3c(N)c(C(=O)N4CCCCC4)sc3nc2c1 891621 PNSSGGOEJRURNK-UHFFFAOYSA-N 355.463 4.057 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1 1934550 WRJPLXCOALFWCK-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB CC1(C)Cc2c(sc3[nH]c(SCc4ccccc4)nc(=O)c23)CO1 2292129 NCSNJAHODJXPRI-UHFFFAOYSA-N 358.488 4.128 0 40 FIAB CCOC(=O)[C@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 2593699 YMXCZHRBTBUURO-LJQANCHMSA-N 350.370 4.007 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2642508 ZFZUADBADSZITD-HZMBPMFUSA-N 368.264 4.010 0 40 FIAB Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccc1)CC(=O)N2 2724165 BTWUXRFGACPOTQ-JOCHJYFZSA-N 374.415 4.318 0 40 FIAB CN(C)CCCNC(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1 2750433 OELUALJUDQVXGD-UHFFFAOYSA-N 368.521 4.245 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 3057221 JZZXAHOWTVLBKC-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB COc1cc(CC(=O)Oc2cccc3ccccc23)cc(OC)c1OC 3292017 NSNSTCZDJVZSBG-UHFFFAOYSA-N 352.386 4.014 0 40 FIAB CCOc1ccc(OCCC(=O)Nc2nc3ccc(OC)cc3s2)cc1 3343644 NHSZWGNDKJGOGV-UHFFFAOYSA-N 372.446 4.111 0 40 FIAB Cc1cc(C(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c(C)n1C 3362394 LWIPZSXGQSNHMO-UHFFFAOYSA-N 363.413 4.054 0 40 FIAB Cc1ccc(Cl)c(NC(=O)CSc2nnc3ccccn23)c1Cl 3505689 YSOHYJDBJFTWJQ-UHFFFAOYSA-N 367.261 4.075 0 40 FIAB C[C@H](OC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3514491 LYCBMAWCOHAPRI-AWEZNQCLSA-N 351.358 4.256 0 40 FIAB COc1ccc(CCC(=O)Nc2nc3ccc(F)cc3s2)cc1OC 3524273 QQRDRUXBUHOYHB-UHFFFAOYSA-N 360.410 4.024 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 4340310 WKSURXISTKTFJA-GFCCVEGCSA-N 372.804 4.362 0 40 FIAB biogenic CCc1ccc(-n2c(C)nnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 4675548 NHRFYMXHFGBQHD-GJZGRUSLSA-N 372.538 4.020 0 40 FIAB COc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OCc1ccccc1 5001210 UEUPJTKMJLLREI-JOCHJYFZSA-N 361.397 4.095 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1ccc(Br)cc1F 5295142 QGJTUFJTNRMNIU-UHFFFAOYSA-N 368.202 4.004 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Cl)c3)NC(=O)CN21 5370741 BXOLPTPMISOQSU-LCCNJJIFSA-N 352.865 4.286 0 40 FIAB O[C@@H](CNCc1ccccc1)CN1c2ccccc2Sc2ccccc21 5741028 SVVXTNOUPDFZGK-SFHVURJKSA-N 362.498 4.440 0 40 FIAB CCOC(=O)c1cc(-c2cccs2)nc2nc(N(CC)CC)sc12 5937370 CXIXEYYQPFPDFU-UHFFFAOYSA-N 361.492 4.443 0 40 FIAB CCc1ccc(NC(=O)CSc2nc(-c3ccccc3C)n[nH]2)cc1 6225301 FIJUGOVPAVRLQL-UHFFFAOYSA-N 352.463 4.073 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O 6629518 NTTHCLSXKFOFKG-WOJGMQOQSA-N 365.458 4.412 0 40 FIAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccs2)cc1 6630477 JWHXGZINAIJWME-UHFFFAOYSA-N 366.442 4.167 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)COc1cccc2cccnc12 6638528 QFFHHKLKYLYDSQ-UHFFFAOYSA-N 356.809 4.223 0 40 FIAB CSc1ccc(COC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 7315859 RKUVVLACOUXHDN-FQEVSTJZSA-N 367.470 4.416 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccccc1Cl 8162785 OGMSBUWQCOAZDW-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB CCOc1c(Br)cc(Br)cc1CNC(C)(C)C 8253299 INLRVURNLUJLFI-UHFFFAOYSA-N 365.109 4.498 0 40 FIAB O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 9319802 WWEYMRGGKJQCLV-RDJZCZTQSA-N 360.413 4.002 0 40 FIAB CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1cccc(OC)c1 9640556 NHFWIHXETPKLMN-PDGQHHTCSA-N 368.458 4.201 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(CSc2nncn2C2CC2)cs1 10649014 WOVHMDFGRFMBBE-UHFFFAOYSA-N 371.491 4.046 0 40 FIAB CCOc1ccccc1OCc1nn2c(C3CCCCC3)nnc2s1 11279232 MPVFBUCSWNYXBN-UHFFFAOYSA-N 358.467 4.211 0 40 FIAB Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCc2ccncc2)c1C 12113348 FRNAPVNLXAEZET-UHFFFAOYSA-N 361.424 4.468 0 40 FIAB O=C(c1cnn(-c2ccnc3cc(Cl)ccc23)c1)c1cc(F)ccc1O 12311809 IWSQBDFJROVOBT-UHFFFAOYSA-N 367.767 4.150 0 40 FIAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)C(C)C)n(C(C)C)c1C 12409318 WNFKJBUENBJKCF-UHFFFAOYSA-N 362.495 4.113 0 40 FIAB CC(C)c1ccccc1OCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12549951 QFJUMLCBWKMNME-KRWDZBQOSA-N 363.461 4.252 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1c(F)cccc1F 12559672 KDIRPYAHGRQBAZ-AWEZNQCLSA-N 359.420 4.394 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)CCn1nc(-c2cccs2)oc1=O 12745235 NBBJCKWKERTIIY-UHFFFAOYSA-N 371.462 4.025 0 40 FIAB CC1CCC(NC(=O)CCC(=O)c2ccc(Br)cc2)CC1 12927854 DKQISRVVBHVAFV-UHFFFAOYSA-N 352.272 4.107 0 40 FIAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1ccc(Cl)c(Cl)c1 13083716 DTMUNFHJBZMGSQ-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB Cc1c(Cl)c(CN2C(=O)CC3(CCCCC3)C2=O)nc2ccccc12 14180505 OBTCNGODNYHMEV-UHFFFAOYSA-N 356.853 4.406 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H](C)c1ccccc1 16780163 VGDSWSFOWLKSEE-CYBMUJFWSA-N 353.871 4.087 0 40 FIAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 17360810 IPZNIVLJIZVFNP-UHFFFAOYSA-N 352.434 4.069 0 40 FIAB Cc1c(-c2cccs2)nn2c(O)cc(CSc3ccccn3)nc12 19557519 LQEMOEVCNHVYQJ-UHFFFAOYSA-N 354.460 4.159 0 40 FIAB O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 20432535 UKKLPCUQNNNKFA-QPJJXVBHSA-N 368.908 4.244 0 40 FIAB O=C1CCSc2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2N1 22131729 AJSYXRQQPAAGMR-AWEZNQCLSA-N 358.488 4.160 0 40 FIAB CC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl 22618589 POQRXGPWTKLQLY-ABAIWWIYSA-N 359.297 4.053 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2occc2-c2ccccc2)C1 22699187 LMUXLRBTISQJSA-SFHVURJKSA-N 374.440 4.438 0 40 FIAB Cc1cc(C(=O)OCc2ccc(Cl)cc2Cl)c2c(C)nn(C)c2n1 22975030 ZTNWGMYCHARMQJ-UHFFFAOYSA-N 364.232 4.249 0 40 FIAB O=C(Cc1cccc2ccccc12)NCC1CCN(Cc2ccco2)CC1 23128031 PDLBHYGPWUAJRQ-UHFFFAOYSA-N 362.473 4.004 0 40 FIAB Cc1ccccc1Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 25054120 ZBFHSTYBFSWFKQ-UHFFFAOYSA-N 359.476 4.234 0 40 FIAB c1ccc(SC[C@H]2CSc3nnc4c5ccccc5nc-4n32)cc1 27795888 UMRJBYADQNNBIK-LBPRGKRZSA-N 350.472 4.370 0 40 FIAB CCN(CC)c1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 31914590 WBWIHTBWHCESJV-QGZVFWFLSA-N 365.477 4.063 0 40 FIAB COC(=O)c1c(NC(=O)Nc2ccc(F)cc2F)sc2c1CCCC2 32610917 UXOZTJIXBGXWRH-UHFFFAOYSA-N 366.389 4.336 0 40 FIAB COc1ccc(-c2nc(COc3ccc(F)c4c3C(=O)C[C@H]4C)no2)cc1 32789319 WLDSTDFDXLYMJL-LLVKDONJSA-N 368.364 4.153 0 40 FIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(C(F)(F)F)cn1 32930670 RHLLCRJJPTZSNB-UHFFFAOYSA-N 363.339 4.010 0 40 FIAB Cc1cc2ncc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)n2n1 38829568 HIRLDQDFQVZNRG-UHFFFAOYSA-N 358.401 4.391 0 40 FIAB COc1ccc(C2=CCN(C(=O)CCCOc3ccccc3)CC2)cc1 40119686 NNTZNKKAVCEXQO-UHFFFAOYSA-N 351.446 4.170 0 40 FIAB Cc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 41097338 PEZZTHICLDULMM-IBGZPJMESA-N 372.896 4.109 0 40 FIAB CCOC(=O)c1ccc(N(CC2CC2)C(=O)c2ccc(CC)cc2)cc1 48355930 HHPZWGAWDUZRDA-UHFFFAOYSA-N 351.446 4.483 0 40 FIAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(F)c(Cl)c3)n[nH]2)cc1 51315863 TWBSISWYEQOAFL-UHFFFAOYSA-N 373.815 4.198 0 40 FIAB c1ccc(-c2nc(CSc3ccc(-n4cccn4)nn3)cs2)cc1 70635251 RNXZVQFATHCGQC-UHFFFAOYSA-N 351.460 4.078 0 40 FIAB COc1ccccc1CNC(=O)c1sc(NC2CCCCC2)nc1C 71326684 KWSQXSCLRVQKLI-UHFFFAOYSA-N 359.495 4.135 0 40 FIAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccccc1Oc1ccccc1 72034248 YUYODAUYRAPQHB-UHFFFAOYSA-N 370.408 4.433 0 40 FIAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2cccc(C(F)(F)F)c2)c1 72329126 JCOUUQLVDOFPNV-UHFFFAOYSA-N 359.351 4.334 0 40 FIAB CCCCOc1ccc(-c2cc(C(=O)NCc3cccs3)[nH]n2)cc1 72331570 PDHBYJORIMQXBX-UHFFFAOYSA-N 355.463 4.247 0 40 FIAB CCCCC(=O)Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1 75141177 BQQCMWGDTXSMLB-UHFFFAOYSA-N 359.853 4.408 0 40 FIAB Cc1noc(-c2sccc2NC(=O)c2cccc(C(F)(F)F)c2)n1 207958808 VGAMZJIQVSDTDV-UHFFFAOYSA-N 353.325 4.378 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1 222662981 VQDCEHZYJGGQIC-QGZVFWFLSA-N 355.503 4.032 0 40 FIAB Cc1cccc(CSCC(=O)NCCSCc2ccccc2F)c1 222741846 AHVVSSMDULVXEI-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)Nc3c(F)cccc3F)o2)c1 224846306 BGPABINFLJWYJY-UHFFFAOYSA-N 358.344 4.200 0 40 FIAB Cc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)nc1 225369872 SQWNAJZZESNDAS-UHFFFAOYSA-N 369.918 4.402 0 40 FIAB CCNC(=O)c1cc(N)ccc1N(Cc1ccccc1)Cc1ccccc1 225484972 GYPLZNYKCZYLJG-UHFFFAOYSA-N 359.473 4.225 0 40 FIAB COc1cccc(CCCNC(=S)Nc2cccc(OC(C)C)c2)c1 225554543 JVAWMSBQSISESU-UHFFFAOYSA-N 358.507 4.402 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225827878 BBXOIIRSFNBBEX-LPHOPBHVSA-N 371.477 4.355 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(Cl)c4)OCC[C@@]31C2 257223363 DWZXWWNOXLUIHD-XLCISLMKSA-N 365.876 4.498 0 40 FIAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1C[C@H]1CCCO1 302766745 MAOQOYAGBQABIK-RXMQYKEDSA-N 369.031 4.075 0 40 FIAB CC1CCN(c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2Cl)CC1 408624237 BTZZVPYPSLHHOU-UHFFFAOYSA-N 367.946 4.435 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 408680944 UHQOEAIQPZECFL-HXUWFJFHSA-N 368.477 4.177 0 40 FIAB CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408708887 VAPSSHXNURBMGB-QGZVFWFLSA-N 370.880 4.133 0 40 FIAB COCc1cc(C)nc2sc(C(=O)Nc3cc(C)cc(C)c3)c(N)c12 409371188 BJUVIFLBSORMTI-UHFFFAOYSA-N 355.463 4.202 0 40 FIAB Cc1cccc2nc(C3CCN(C(=O)CO[C@H]4CCCC[C@H]4C)CC3)oc12 548714636 VJWUKHPLONLVFK-BEFAXECRSA-N 370.493 4.438 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)Cc2ccccc2Cl)c2ccsc2)n1 618256109 NIQPDVFAKYJKJL-GOSISDBHSA-N 373.909 4.163 0 40 FIAB COc1ccc([C@H]2CCN(C(=O)N[C@H]3CCCOc4ccccc43)C2)cc1 624234556 YDGWBBBLKACBGQ-PXNSSMCTSA-N 366.461 4.108 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1C 683179261 GBFJGOQCUOVFGU-UHFFFAOYSA-N 369.852 4.098 0 40 FIAB CN(Cc1coc(-c2ccccc2C(F)(F)F)n1)[C@@H]1CCCC[C@H]1O 1655255533 FGTCLYOVSFCGBO-HZPDHXFCSA-N 354.372 4.096 0 40 FIAB COc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 797152 DNQOSKRAMOGPAW-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1 908730 JPSHVNANWWLGLB-UHFFFAOYSA-N 365.458 4.117 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)COc1cc(Cl)ccc1Cl 941167 HEBFCEYTJSNRNQ-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1ccc(NC(=O)Nc2cccc3ccccc23)cc1NS(C)(=O)=O 1032593 QMHAMXIKTGDMEB-UHFFFAOYSA-N 369.446 4.164 0 40 FIAB O=C(c1ccco1)N(CCN1CCCCC1)c1nc2ccccc2s1 1338342 HTLNQZRKGXKFRE-UHFFFAOYSA-N 355.463 4.022 0 40 FIAB CCOC(=O)c1ccc(Oc2coc3cc(OCC)ccc3c2=O)cc1 2106654 ZQXWAEVCESJOAR-UHFFFAOYSA-N 354.358 4.161 0 40 FIAB biogenic CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 2734035 AKJKDGUFRYMUOV-LJQANCHMSA-N 356.897 4.211 0 40 FIAB Fc1cccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)c1 2914624 LAGFBBHYKOWLFK-HZPDHXFCSA-N 373.229 4.326 0 40 FIAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)cc1OC 3417696 HJNCLACXNCZPMB-HNNXBMFYSA-N 356.418 4.139 0 40 FIAB COc1cc2c(cc1NC(=O)CN1CCCC[C@H]1C)oc1ccccc12 3583736 XRGLGIUHXJIEKD-CQSZACIVSA-N 352.434 4.408 0 40 FIAB Cc1cccc(-n2ncc3c(NCCc4c[nH]c5ccccc45)ncnc32)c1 3912197 NCEZJYKOCQMNEG-UHFFFAOYSA-N 368.444 4.260 0 40 FIAB COC(=O)c1c(C)n(CCOc2ccc(Cl)cc2C)c2ccc(O)cc12 4614955 CHAXXNYNJVRPJA-UHFFFAOYSA-N 373.836 4.483 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)c1ncoc1-c1ccc2ccccc2c1 5002070 YJTXOFGLBUYBOD-UHFFFAOYSA-N 372.380 4.154 0 40 FIAB COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1cccc(Cl)c1 5019820 VHZAOPIREUQQHQ-SFHVURJKSA-N 361.869 4.196 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc21 5898117 MXSDHLQZHGCELK-UHFFFAOYSA-N 370.836 4.413 0 40 FIAB O=C(COc1cccc(Br)c1)Nc1cccc(C(F)(F)F)c1 6153085 JSFTUDHMFYIPEF-UHFFFAOYSA-N 374.156 4.485 0 40 FIAB CCc1cc2c(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)ncnc2s1 6225113 UYWUUDHVFVFCHD-TYNCELHUSA-N 363.552 4.287 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(F)c3)n2)c1 6441431 GTEVWNCIZGNKKF-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1 6615752 IIJYTOXTQULKJN-UHFFFAOYSA-N 373.909 4.457 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 6942630 YQLJBFNGJSAVIC-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c2ccccc12 8132566 VJHIRHOOYQGPGM-UHFFFAOYSA-N 369.442 4.242 0 40 FIAB CN(C(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 8202051 ZBCCNBQCROKXBI-UHFFFAOYSA-N 365.502 4.139 0 40 FIAB COc1cc(NC(=O)Cc2csc(-c3cccs3)n2)cc(OC)c1 8315634 MDBMOMSYZQVPMM-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB CC(C)Cc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 8393810 DBDBXXWZJUKESH-UHFFFAOYSA-N 374.691 4.405 0 40 FIAB O=C1[C@H]2CS[C@@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)cc1 8514119 VXPKRYQJIBJFDE-ZBFHGGJFSA-N 362.813 4.062 0 40 FIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2N2CCCCC2)cc1 9750666 VHYAFJOPCWKKGI-KRWDZBQOSA-N 366.461 4.286 0 40 FIAB COC[C@@H](C)n1c(SCc2ccccc2C)nc2ccccc2c1=O 10420686 HWJHEGKPXXHKAT-OAHLLOKOSA-N 354.475 4.205 0 40 FIAB CCOc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 11620688 RPHUIWBEVNSOQK-UHFFFAOYSA-N 373.884 4.390 0 40 FIAB CC[C@@H](C)c1ccccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11724629 IYVSDLIXOFWFHS-MRXNPFEDSA-N 365.477 4.378 0 40 FIAB O=C(COc1cccc(Cl)c1)Nc1cc(-c2ccc(F)c(F)c2)no1 11913726 UTQULIKWHZUNTG-UHFFFAOYSA-N 364.735 4.291 0 40 FIAB O=C(CCn1cnc2ccccc21)NC1(c2ccc(Cl)cc2)CCC1 12147666 IQOCMPLLLOAMIJ-UHFFFAOYSA-N 353.853 4.275 0 40 FIAB COc1cc(C(=O)N(C)Cc2c(F)cccc2Cl)cc(Cl)c1OC 12589878 SMBMHBQGBATZNR-UHFFFAOYSA-N 372.223 4.422 0 40 FIAB CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12601776 NNTNZUYWYCOZSI-IXDOJHRFSA-N 361.445 4.339 0 40 FIAB Cc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 13477737 BNLHKQOQNCQSDK-UHFFFAOYSA-N 356.466 4.426 0 40 FIAB COc1ccc(CN(Cc2cccnc2)Cc2cccs2)cc1OC 13569720 CFOWDAJUOMQKID-UHFFFAOYSA-N 354.475 4.363 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1OC 13708954 UXTLNNAXGWMUHP-AWEZNQCLSA-N 351.402 4.263 0 40 FIAB c1coc(-c2nc3c4c5c(sc4nc(N4CCCC4)n3n2)CCCC5)c1 13733940 ZFJGVQXNMLXCRI-UHFFFAOYSA-N 365.462 4.078 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CSCc2ccc(Cl)s2)cc1 14171936 MUJCDHSDFWWJRY-UHFFFAOYSA-N 354.884 4.232 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3cc(Cl)sc3Cl)ccc21 14200165 CCEOUSIIESDXPE-UHFFFAOYSA-N 355.246 4.216 0 40 FIAB Cc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)s1 14715955 UBRVJMHHTWPNOS-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB CCc1cc2c(=O)n(-c3ccc(Br)cc3)c(=S)[nH]c2s1 17075393 RDOWMLAVOMTANX-UHFFFAOYSA-N 367.293 4.435 0 40 FIAB C[C@@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)N(C)c1ccccc1 21998454 CNIABPUBZUBMTI-GFCCVEGCSA-N 372.471 4.080 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)Nc3ccc(C)cc3)cc21 22509565 UTLVTWAMKJYEJZ-UHFFFAOYSA-N 367.449 4.411 0 40 FIAB Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1-n1cccc1 22611236 FVVCUVFVFGUFAH-UHFFFAOYSA-N 373.500 4.134 0 40 FIAB CC/C=C/C(=O)OCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 24829101 HTXRKDXXEKYOHH-XBXARRHUSA-N 364.854 4.491 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1cccs1 25776855 WQCIJGUZGFWVLU-IBGZPJMESA-N 350.487 4.448 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccc(C)c2)cc1 26024649 VWSRMAPJJVSJGL-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)COc2ccc(C(C)C)cc2)cc1 28292896 XLXDAIYKIAIHRT-UHFFFAOYSA-N 363.461 4.381 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 28641893 DTWXYDOPFAPIEA-UHFFFAOYSA-N 366.450 4.025 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(C)c1 32818798 QZJUNBSZVGUUFA-UHFFFAOYSA-N 353.437 4.486 0 40 FIAB Cc1cc(CNC(=O)Cc2csc(Cc3ccccc3)n2)ccc1F 32914336 KJFKXNVHIAYJNJ-UHFFFAOYSA-N 354.450 4.040 0 40 FIAB Cc1ccc(C(=O)NCCCc2nc(-c3ccc(Cl)cc3)no2)cc1 35681724 YMGBVQKHNNYETL-UHFFFAOYSA-N 355.825 4.061 0 40 FIAB O=C(NCc1ccco1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849028 XWCVSSIPGGFVMW-CYBMUJFWSA-N 367.276 4.115 0 40 FIAB CC[C@@H](C)NC(=O)Nc1cc(Br)ccc1Br 40104722 JNCVDPVPYPOKHE-SSDOTTSWSA-N 350.054 4.132 0 40 FIAB CCCNC(=O)c1cccc(NC(=O)c2c3c(nc4ccccc24)CCC3)c1 40134398 PRGCACGLTDQCNL-UHFFFAOYSA-N 373.456 4.116 0 40 FIAB Cc1ccc(-n2nc(C)c(CC(=O)Nc3ncccc3C)c2C)cc1Cl 40143975 VPKWZANFSLZISL-UHFFFAOYSA-N 368.868 4.336 0 40 FIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCCCCC(=O)O 40285901 BJDRNKOIJBZPJL-UHFFFAOYSA-N 366.870 4.147 0 40 FIAB COc1ccc(NC(=O)NC[C@@H](C)c2ccccc2)cc1OC(F)F 43995168 GIQXZZAFTVPFJG-GFCCVEGCSA-N 350.365 4.222 0 40 FIAB C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 46172855 VDGIHMAVCAPTEF-ZDUSSCGKSA-N 364.511 4.341 0 40 FIAB Cc1ncsc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 46579876 UMSDCHZMVKAEMV-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB C[C@H](NC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CC(=O)N2 47155857 YYFGDEDRZYEABR-JTQLQIEISA-N 363.339 4.083 0 40 FIAB C[C@@H](NC(=O)N(C)Cc1ccco1)c1cccc(OCc2ccccn2)c1 56443780 JZPJXRTYERYMLG-MRXNPFEDSA-N 365.433 4.156 0 40 FIAB CC(C)[C@@H](OC(=O)c1cc(C2CC2)nc2ccccc12)C(=O)NC(C)(C)C 60585181 OBDXLMMYAJTZMM-LJQANCHMSA-N 368.477 4.208 0 40 FIAB C[C@@H]1CCC[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2ccncc2)[C@@H]1C 71809030 RJCMSDYUGSZFKM-MDZRGWNJSA-N 366.461 4.277 0 40 FIAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C(C)C 71974095 UCIOUBMXRNCOGO-UHFFFAOYSA-N 367.854 4.271 0 40 FIAB CCn1c(-c2ccccc2)c(C(=O)Cn2nc(C)nc2C)c2ccccc21 75572125 PDWRNVNRHFISCU-UHFFFAOYSA-N 358.445 4.419 0 40 FIAB c1ccc(OCc2nc(CN3CC[C@H](CN4CCCCC4)C3)cs2)cc1 75836477 LBCJPEVGUBULCZ-GOSISDBHSA-N 371.550 4.030 0 40 FIAB O=C(Nc1ccccc1Cl)N1CCC[C@H](c2nnc(C(F)(F)F)o2)C1 77197866 UQYFICRIAUTOLY-VIFPVBQESA-N 374.750 4.153 0 40 FIAB COCC(=O)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 83897828 PEQFHCZBCGAVTN-UHFFFAOYSA-N 361.445 4.003 0 40 FIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N[C@H](C(=O)O)C(C)C)(C4)C2)C3)cc1 100846511 KLXALZDCYZPMMX-JPJYASKXSA-N 369.505 4.058 0 40 FIAB Cc1cc(I)ccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 103521057 VMSFOQJSTHLYQG-RWMBFGLXSA-N 369.246 4.364 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@@H](c1ccccc1Cl)N1CCCC1 104675580 VBEWJOORGVOINZ-BOSXTWCSSA-N 360.929 4.419 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3ccccc3SC)s2)cc1 179397817 TYJQQKZXMXIKOO-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1F 207974143 XEHXCGVSBMDRAJ-UHFFFAOYSA-N 356.466 4.387 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N1CCS[C@@H](c2cccs2)CC1 219545772 LGAQQWLNJFTZLA-RKCSUWQLSA-N 365.545 4.229 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)COc1ccc(C)cc1 219610967 QCBZXBLDWIEJGW-BEFAXECRSA-N 361.869 4.390 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Sc2ncccn2)nc1)c1ccccc1 223959041 UWOWGETYXVWJOM-ZDUSSCGKSA-N 367.503 4.070 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 224295657 XKXGGHQCGOCJIY-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(F)cc1 224457669 URHFUGVLYDLGFA-HXUWFJFHSA-N 367.420 4.332 0 40 FIAB COc1ccc(CSCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 224898816 NGQPGQQUTKOEJH-UHFFFAOYSA-N 356.491 4.167 0 40 FIAB CC(C)C(NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)C(C)C 225419353 SXWJXHYTFMJNIR-AQTBWJFISA-N 370.518 4.316 0 40 FIAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)c1ccc(Cl)cc1)C2 225488846 ACYDSVGZWDRPIR-KRWDZBQOSA-N 370.836 4.020 0 40 FIAB biogenic,in-vitro CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(OC(C)C)c1 225583312 LHZQJWWGHUWQHO-GOSISDBHSA-N 363.571 4.415 0 40 FIAB Cc1cc(NC(=S)NCCCOC2CCCC2)ccc1Br 225619471 CTPOGOGEURYWTE-UHFFFAOYSA-N 371.344 4.393 0 40 FIAB O=C(Cc1cccc2ccccc12)N1CC[C@@H](N2CCc3ccccc3C2)C1 225687085 JPFCATXGIQOORL-HSZRJFAPSA-N 370.496 4.042 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(C)cc3C)n2)cc1 225815775 NIGBWVQNRALDFT-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2ccc3nc(N)sc3c2)cc1Cl 226311425 XPXFVRNBQYJJIX-UHFFFAOYSA-N 368.245 4.446 0 40 FIAB COc1ccc(/C=C/C(=O)O)cc1NC(=O)c1ccc(C(C)(C)C)cc1 226357049 NQUCLAHQYRKHBA-WUXMJOGZSA-N 353.418 4.343 0 40 FIAB Cc1cc2cc[nH]c2cc1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 548737825 QBWOZIJGYKKSOV-OAHLLOKOSA-N 368.506 4.449 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2cnc(-c3ccccc3)s2)cc1F 571979272 KYMMHKANAPQAJT-UHFFFAOYSA-N 355.394 4.160 0 40 FIAB O=C(c1ccc(NCc2ccccc2C2CC2)cc1)N1CCC(CO)CC1 585079697 QJOGHTMZTNPKMK-UHFFFAOYSA-N 364.489 4.021 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccc2ncsc2c1 585148073 NFILTKGBYIZJJH-KRWDZBQOSA-N 364.426 4.020 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(OCc2ccccc2)ncn1 585356793 LKTWURNHVVHFKG-UHFFFAOYSA-N 357.772 4.100 0 40 FIAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)CCC3CCC3)C2)N1C 643574309 OWNWCPRCZILOLW-RTWAWAEBSA-N 369.553 4.182 0 40 FIAB COc1ccccc1C1(C(=O)NC[C@H](c2ccsc2)c2ccco2)CC1 670479644 GRNWOQJPXLGCRR-MRXNPFEDSA-N 367.470 4.330 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3ccsc3C)cs2)cc1OC 1624173179 GBZHVBISOFBBBS-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB Cc1nc2ccccc2n1C1CN(C(=O)c2ccccc2C(F)(F)F)C1 1775973377 ABYYOHYPIYOTSY-UHFFFAOYSA-N 359.351 4.061 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 936308 PWFHXKZPTXVIIN-VQHVLOKHSA-N 351.324 4.375 0 40 FIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(Br)cc1 1084817 YOCHRNBDRZEZNR-RIYZIHGNSA-N 362.610 4.447 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1nc2ccccc2s1 2636573 QBJXUPZNDVBVNI-UHFFFAOYSA-N 352.440 4.158 0 40 FIAB COc1cccc(-n2c(SC(C)C)nc3c([nH]c4ccccc43)c2=O)c1 2720744 KZYDWRAONFVNDJ-UHFFFAOYSA-N 365.458 4.376 0 40 FIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(OC)c1 2761952 YQHLLYQWUJDATH-UHFFFAOYSA-N 367.426 4.463 0 40 FIAB COC(=O)c1cc(CNC(=S)Nc2ccccc2C(C)C)ccc1OC 3344344 NQPSNQIIDLAINM-UHFFFAOYSA-N 372.490 4.092 0 40 FIAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(F)cc2)n1 4167448 BVLDIADUICPJMA-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3ccccc3SC)[nH]c2c1 4274563 FSJMEHGVCRADTP-UHFFFAOYSA-N 359.476 4.024 0 40 FIAB COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1 4276078 HZLPGPQBBZSNRD-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB COc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)c1 4539996 MVSVFXNBYFNJKL-NRFANRHFSA-N 373.408 4.402 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816636 UVRPRLGPTPWTBL-ZWKOTPCHSA-N 352.825 4.019 0 40 FIAB Cc1ccccc1Cn1nc(-c2cccc(Br)c2)ccc1=O 5388398 MGDFAIBXRYSZLN-UHFFFAOYSA-N 355.235 4.030 0 40 FIAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nc2c(s1)CCCC2 5902227 CPUTYBCIYDPWQU-UHFFFAOYSA-N 372.519 4.409 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 5946229 LGPHRQYUOGXBFD-CCEZHUSRSA-N 368.392 4.139 0 40 FIAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3)cc2)CC1 6348784 JGGJBIMFGPRAPT-UHFFFAOYSA-N 368.502 4.112 0 40 FIAB CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c1 6950065 QHSICSLTRPYUDC-NTEUORMPSA-N 356.809 4.293 0 40 FIAB COc1ccc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cc1O 7331921 KUHSZUZZJRTBGN-SDQBBNPISA-N 363.200 4.028 0 40 FIAB CCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1CC 7610210 CLXRVDJBEWDXPL-UHFFFAOYSA-N 373.309 4.288 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)NCCc1ccc(Cl)cc1Cl 7652559 SPGMPOAXWIIORW-UHFFFAOYSA-N 364.272 4.220 0 40 FIAB O=C(Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1)c1ccco1 8095422 WNWQNZJPBGJGMQ-DOTOQJQBSA-N 352.434 4.184 0 40 FIAB CN(CC(=O)Nc1ccccc1Br)[C@@H]1CCCc2ccccc21 8126853 LJDOBVVWYOYWNL-GOSISDBHSA-N 373.294 4.397 0 40 FIAB O=C(Nc1ccc(Br)cc1C(=O)O)c1cc2ccccc2o1 8188470 QIGBBNPNQKXNPG-UHFFFAOYSA-N 360.163 4.146 0 40 FIAB O=C(COc1cccc(Cl)c1)N1CCC(c2nc3ccccc3o2)CC1 8673537 LNSXQDTUQKEUQM-UHFFFAOYSA-N 370.836 4.266 0 40 FIAB COc1ccc(CN(C(=O)Cc2coc3cc(OC)ccc23)C2CC2)cc1 8855753 VGLUFGMKEDGCPU-UHFFFAOYSA-N 365.429 4.184 0 40 FIAB Cc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1ccco1 9141844 CHKFOYSIOLOJHX-UHFFFAOYSA-N 355.781 4.141 0 40 FIAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1 9196694 BWBXKMAAZPGIAW-UHFFFAOYSA-N 355.825 4.029 0 40 FIAB CCCSc1nc2ccccc2c2nc(-c3ccccc3OC)nn12 9939926 LZNDPAYSEMQXOQ-UHFFFAOYSA-N 350.447 4.455 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 10469512 OPPBDPIJCANYJL-IIBYNOLFSA-N 369.461 4.213 0 40 FIAB CC1(C)C[C@H](NC(=O)c2ccccc2Br)c2ccccc2O1 10542995 VNGNNTHLOIILHF-HNNXBMFYSA-N 360.251 4.481 0 40 FIAB Cc1ccc(-c2csc(NC(=O)CCc3c(C)nn(C)c3C)n2)cc1 10817273 KTDQJDPKUVWWRG-UHFFFAOYSA-N 354.479 4.040 0 40 FIAB O[C@H](CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 11530258 ONOVJKJKHVPVJG-QGZVFWFLSA-N 355.438 4.245 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)CC)cc12 11615889 YWCXQFWZVJJWHV-UHFFFAOYSA-N 373.430 4.038 0 40 FIAB Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1 11835366 UQUDWSGLIUGLNZ-UHFFFAOYSA-N 365.458 4.275 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N1CCC(c2nc3ccccc3o2)CC1 12516119 VXLVWNMSVSZXKS-UHFFFAOYSA-N 373.456 4.497 0 40 FIAB C[C@H]1CN(C(=O)[C@@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@@H](C)O1 12543713 JAYYSEHOJJNLGI-QLFBSQMISA-N 352.434 4.022 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(Br)c[nH]1 12907757 JMRLXGPSSUMYRD-UHFFFAOYSA-N 351.244 4.336 0 40 FIAB O=C1CCc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc2N1 12974149 DVFIDMXRRUUURR-UHFFFAOYSA-N 368.396 4.369 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 13001417 OMZYSGDNJQXFDD-DHZHZOJOSA-N 361.800 4.237 0 40 FIAB Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 14186043 GGIKLKMMMFBDNM-MYSGNRETSA-N 369.515 4.481 0 40 FIAB C[C@H](NCC(=O)Nc1ccccc1C(=O)c1ccccc1)c1cccs1 14197866 LWPBHCWGZHOMLM-HNNXBMFYSA-N 364.470 4.268 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(CC)c([N+](=O)[O-])c2)c1C 15514100 OVRJMHBKOQPMQN-CSKARUKUSA-N 370.405 4.175 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1C 15529219 PZJAQWGURJUTMY-UHFFFAOYSA-N 360.479 4.089 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1 16090229 JSQBHXOKGPORGP-UHFFFAOYSA-N 352.411 4.324 0 40 FIAB CCCCCCNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 17072749 ZRXLMMROMITMEW-UHFFFAOYSA-N 350.466 4.347 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)c1C 17749365 ITCPGUDQEMVNRJ-UHFFFAOYSA-N 371.437 4.338 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1C 17861781 JPQHVFOUBFCJSF-GASCZTMLSA-N 368.477 4.052 0 40 FIAB CCN(CC(C)C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(C)=O)CC2)C1 19712766 XOPHPRJKXYSCTO-VXKWHMMOSA-N 372.553 4.266 0 40 FIAB COc1ccc2[nH]c(C)c(CCNCc3nc4ccccc4s3)c2c1 19798226 UHGUYQAPFGLKAH-UHFFFAOYSA-N 351.475 4.427 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1F 22020922 MICGDURKRRDAFK-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(CN2CCCCC2)cs1 22289018 BSCSRLMPWNKBNF-UHFFFAOYSA-N 368.506 4.182 0 40 FIAB COC(=O)c1ccoc1COC(=O)c1cc(C(C)C)nc2ccccc12 23464685 AQLXLFRSEOWBOC-UHFFFAOYSA-N 353.374 4.095 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1c(F)cccc1F 25055979 IMBYOKYUKZCTFN-UHFFFAOYSA-N 358.369 4.276 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 27384931 XWDWPGXJKVLBAT-OAHLLOKOSA-N 356.491 4.254 0 40 FIAB Fc1ccc(-c2cc(N3CCN(c4cccc(Cl)c4)CC3)ncn2)cc1 27664629 LYGXFPCKRVIGAE-UHFFFAOYSA-N 368.843 4.263 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2cccc(F)c2)c1 28220484 IWKWAHAAGLFBBI-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2cnn(-c3ccccc3)c2)c(OC)c1 29699986 LVPZTUXVRSUBCZ-NRFANRHFSA-N 363.461 4.227 0 40 FIAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1CCCC[C@@H]1C 32652316 VZSSTIJAIRONMH-KRWDZBQOSA-N 356.510 4.488 0 40 FIAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1c[nH]cc1-c1ccccc1 32928612 PKNXSQIZNOJAJJ-UHFFFAOYSA-N 363.348 4.228 0 40 FIAB Cc1csc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)n1 40033915 AIWJXDJOEUINKL-UHFFFAOYSA-N 363.895 4.087 0 40 FIAB COc1cc(C)c(NC(=O)c2c(Cl)c3ccccc3n2C)cc1OC 40144228 RSDTYHVRWJXAFU-UHFFFAOYSA-N 358.825 4.410 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H]3c3cccs3)CC2=O)c1C 40160161 AUNBEXVESMIBOX-FUHWJXTLSA-N 368.502 4.082 0 40 FIAB COc1cccc(C(=O)[C@H]2c3ccccc3C(=O)N2c2ccc(C)cc2)c1O 57340120 PAXHKLTWIPUACT-HXUWFJFHSA-N 373.408 4.294 0 40 FIAB COc1ccccc1NC(=O)C1CCN(Cc2csc(C(C)C)n2)CC1 58010755 ZKWOOBBLGNUICG-UHFFFAOYSA-N 373.522 4.126 0 40 FIAB COc1ccc(N(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@H](C)C2CC2)cc1 58171927 LNIBIYZOBQRPAT-ZUOKHONESA-N 371.864 4.484 0 40 FIAB COc1ccc(CN2CCC[C@@H]2c2nnc(-c3ccc(C)s3)o2)cc1 60016720 DTXOXINAYATBNR-MRXNPFEDSA-N 355.463 4.452 0 40 FIAB Nc1c(Cl)cc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1Cl 65512894 QBSQTGSWQWTNME-UHFFFAOYSA-N 359.216 4.285 0 40 FIAB CC(C)(C)OC(=O)N1CCN(c2ccc(SC(C)(C)C)cn2)CC1 72225579 LSKFCHINVWINOU-UHFFFAOYSA-N 351.516 4.029 0 40 FIAB O=C(Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)[C@@H]1CCOC1 72275220 FGKRLHYFIABJBH-CYBMUJFWSA-N 351.381 4.093 0 40 FIAB Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4nccn4C)C3)n2)c1 72350012 XCGHUGOTORLOBB-FQEVSTJZSA-N 360.505 4.094 0 40 FIAB Cc1ccc(NC(=O)C2CCN([C@@H](c3ccccc3)C(C)C)CC2)nc1 84191594 ZCUCCSSGXWUSQG-OAQYLSRUSA-N 351.494 4.438 0 40 FIAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccc2ncsc2c1 85556822 IRHKIROGIVXHGI-UHFFFAOYSA-N 360.442 4.358 0 40 FIAB C[C@H](NC(=O)CC(C)(C)c1ccccc1)[C@@H](O)c1c(F)cccc1Cl 89598471 UJODFRXZMODDQK-ORAYPTAESA-N 363.860 4.385 0 40 FIAB c1ccc(C[C@@H](Cc2c[nH]cn2)Nc2ncnc3c2oc2ccccc23)cc1 95443214 OXUDCMDAMVKHHY-INIZCTEOSA-N 369.428 4.365 0 40 FIAB Cc1noc(Cc2ccccc2NC(=O)C2(c3cccs3)CCCC2)n1 96097068 OKJFDDRUABIHLA-UHFFFAOYSA-N 367.474 4.481 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)c(OC)c1 97165225 HDJCBHSAKASLAD-SFHVURJKSA-N 358.825 4.055 0 40 FIAB CSc1nc(Cl)cc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1 100105923 MYNNIICNGCOLGJ-PHIMTYICSA-N 372.922 4.100 0 40 FIAB Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC[C@H]1c1cnn(C)c1 112470301 JCOHZXDNNCJJMZ-UXHICEINSA-N 354.498 4.362 0 40 FIAB Cc1cc([C@@H](c2cccc(C(F)(F)F)c2)c2[nH]c(C)cc2C)c(=O)[nH]n1 199782976 VOTWHZVWNRRIPS-MRXNPFEDSA-N 361.367 4.222 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1OC(C)C 219747344 SDLZRFGCJIPDNQ-UHFFFAOYSA-N 371.462 4.248 0 40 FIAB COc1ccc(CCC(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1C 223208326 SIKSHGLCWQGAEZ-SFHVURJKSA-N 355.478 4.137 0 40 FIAB COc1cccc2c1N(C(=O)C(C)(C)Br)C(C)(C)C=C2C 223237782 GRVHGMHGULKQMD-UHFFFAOYSA-N 352.272 4.397 0 40 FIAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 223842932 URCKKGCGKCZJKT-IRXDYDNUSA-N 353.472 4.026 0 40 FIAB CCC1(CC)C[C@H](NC(=O)COc2ccccc2F)c2ccccc2O1 224355499 ROAZVPZICMAHNP-KRWDZBQOSA-N 357.425 4.403 0 40 FIAB Cc1c(Cl)cccc1N(C)S(=O)(=O)c1ccc(Br)cc1 224731652 VJLUFNWCSKOMIG-UHFFFAOYSA-N 374.687 4.236 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc2c(c1)OCO2 225035494 SUQBNTDBWMFYSC-UHFFFAOYSA-N 353.802 4.080 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3OC(C)C)ccc21 225113073 ILDPZRJQOHNHHL-UHFFFAOYSA-N 356.447 4.122 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccccc2C)ccc1Cl 225753808 QCQSFQHTERINOM-LBPRGKRZSA-N 362.882 4.483 0 40 FIAB COc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cn1 225874839 NXXAQEHRMJBYSK-UHFFFAOYSA-N 361.898 4.500 0 40 FIAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)n1 225915125 VQRMLHIUHRLFEW-OAHLLOKOSA-N 364.424 4.467 0 40 FIAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1ccc(Cl)cc1 226289042 IOHRKJNNWPDKEU-UHFFFAOYSA-N 366.822 4.129 0 40 FIAB O=C(O)c1cc(Br)c(OCc2ccc(Cl)cc2)cc1O 226346760 ZZNINPCHRHCNOP-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB Cc1cccc(N(Cc2ccccc2)Cc2cccc(S(=O)(=O)O)c2)c1 255188495 KFDSRYXUMBHWLG-UHFFFAOYSA-N 367.470 4.449 0 40 FIAB Cc1nccc(N2CC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)n1 257289516 PYZBGAVNFDHPIM-HNNXBMFYSA-N 354.841 4.011 0 40 FIAB COCCNC(=S)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408576639 QGWUHHRJOMGLDP-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB CCOc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 688056 QRIYPJPUSUKPRA-UHFFFAOYSA-N 354.431 4.419 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 916526 IYCZOLKMYPUUGT-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB CCOc1ccc2nc3sc(C(=O)N4CCC(C)CC4)c(N)c3cc2c1 917094 YMXVEXNWCJFJQP-UHFFFAOYSA-N 369.490 4.303 0 40 FIAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 2714722 QLFSWOGESZNNMF-UHFFFAOYSA-N 374.444 4.154 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccs2)o1 3475078 OLVHLLGSOARWCJ-ZDUSSCGKSA-N 373.503 4.028 0 40 FIAB CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C)c1ccccc1 3895941 GOJYTDMELMKTJF-OXNJRSESSA-N 358.526 4.221 0 40 FIAB Cc1cccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)c1 4072364 UFLIRESEVFSSPO-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)o1 4276145 HBKOOJRVZOBDGT-UHFFFAOYSA-N 364.188 4.061 0 40 FIAB CCOC(=O)COc1ccc2c(C)c(-c3ccc(Cl)cc3)c(=O)oc2c1 4340184 ZXVVGSNDNMAPFH-UHFFFAOYSA-N 372.804 4.364 0 40 FIAB biogenic O=C1N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1 4702366 DLWCJQOEPNTXLP-OVCLIPMQSA-N 365.191 4.225 0 40 FIAB CCCCOC(=O)c1cc(C)nc2ccc(I)cc12 4832559 YFFJQBOHZKHTQO-UHFFFAOYSA-N 369.202 4.105 0 40 FIAB CCc1nc2ccccc2n1CC(=O)NC1(c2ccc(F)cc2)CCCC1 4908358 OAVDVIOOLBBRQD-UHFFFAOYSA-N 365.452 4.324 0 40 FIAB CC(C)Cn1c(N)c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc21 5207097 YPNCNCRNOKDCTH-UHFFFAOYSA-N 356.433 4.366 0 40 FIAB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cccc(Cl)c3)c2=O)c1 5269996 XCWARHWZSJKYAA-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3c(F)cccc3Cl)NC(=O)CN21 5371291 LZIVNZRUBNUZIW-LCCNJJIFSA-N 370.855 4.425 0 40 FIAB Cc1ccccc1-n1c(SC[C@H]2CCCCO2)nnc1-c1cccnc1 5694639 QLEAJMDESZFWJA-QGZVFWFLSA-N 366.490 4.299 0 40 FIAB Cc1ccc(S(=O)(=O)C(C#N)=Cc2ccccc2Br)cc1 6009363 FHIHCIMZVNDEAP-UHFFFAOYSA-N 362.248 4.096 0 40 FIAB CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N/c1ccc(OC)cc1 6954469 GRWMNNOMOWWHHO-HWWZFDGNSA-N 356.422 4.458 0 40 FIAB O=c1[nH]c(CSc2nc3ccccc3s2)nc2ccc(Cl)cc12 7059889 JWXMJJVSUXOYRO-UHFFFAOYSA-N 359.863 4.479 0 40 FIAB O=C(O)/C(=C/c1cc2c(cc1Cl)OCO2)Sc1nc2ccccc2[nH]1 7342952 WAQJSTSKZZUKHW-UUASQNMZSA-N 374.805 4.163 0 40 FIAB Cc1nnc(S/C(=C/c2cc(Cl)ccc2OC(C)C)C(=O)O)o1 7603839 XWRQLSNACARWMF-NTUHNPAUSA-N 354.815 4.036 0 40 FIAB Cc1cc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)no1 7790987 HEFVNSGYWMCPFM-UHFFFAOYSA-N 351.435 4.350 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(C)cc3)C(=O)[C@@H]2C1 8472885 GHLZQVOTLNOMMR-IEBWSBKVSA-N 374.440 4.093 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(COc2ccccc2)o1 8727055 DUPBPQYDBJIMBB-UHFFFAOYSA-N 365.385 4.272 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(CSc3ccccc3)s2)cc1 9227189 YGNUMPDJGZMUDO-UHFFFAOYSA-N 355.488 4.320 0 40 FIAB Cc1cccc(C(=O)Nc2cc(C)c(I)cc2C)c1 9355152 VFPNVMYGZDBRHG-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB Cc1cc(C)nc(-n2nc(C)c3c2C[C@@H](c2ccc(Cl)cc2)CC3=O)n1 9936326 WDPSMVMSLBQMQL-OAHLLOKOSA-N 366.852 4.154 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(F)cc(F)c2)cc1 10665201 FYZNFCRFIZFQML-UHFFFAOYSA-N 374.416 4.223 0 40 FIAB CC(C)n1ncc2cc(C(=O)NCc3ccc(Cl)cc3Cl)cnc21 11774384 DGXFRYLRXRFUJX-UHFFFAOYSA-N 363.248 4.249 0 40 FIAB CCCOc1cccc(C(=O)Nc2cccc(C(=O)N[C@@H](C)CC)c2)c1 12138598 DITDMMWHGROIFJ-HNNXBMFYSA-N 354.450 4.256 0 40 FIAB CC(C)c1cc(C(=O)N[C@H](c2ccncc2)c2ccc(Cl)cc2)n(C)n1 12148540 SNTYAMMJBJHGIW-IBGZPJMESA-N 368.868 4.111 0 40 FIAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)c2cccs2)C1 12221106 ATFYOBXYDYSHRQ-INIZCTEOSA-N 364.474 4.044 0 40 FIAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccc(C(C)C)cc3)ccc21 12562223 BILJUXSHGHGLEQ-HNNXBMFYSA-N 365.477 4.158 0 40 FIAB COc1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12920393 LVBIQTOZVHEQCD-UHFFFAOYSA-N 350.422 4.151 0 40 FIAB O=C(Nc1ccccc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12922895 HGFKYKVVKPXROR-UHFFFAOYSA-N 353.372 4.282 0 40 FIAB CCOc1cc(S(=O)(=O)N(CC)C2CCCCC2)c(OCC)cc1C 16780184 WDZDYGZXVQOVJY-UHFFFAOYSA-N 369.527 4.136 0 40 FIAB O=C(Nc1c2c(nc3c1CCC3)CCCC2)c1ccccc1Br 17862338 HTRRMAVPBYUMSX-UHFFFAOYSA-N 371.278 4.464 0 40 FIAB CSc1nc(O)c2c(n1)N=C(O)C[C@@H]2c1ccc(C(F)(F)F)cc1 18164139 VYUOXCWFINSTQD-SECBINFHSA-N 355.341 4.047 0 40 FIAB Cc1nccc(-c2cccc(-c3noc(CN4CCCC(C)(C)C4)n3)c2)n1 19287594 YQTYGBJZAJPJEH-UHFFFAOYSA-N 363.465 4.124 0 40 FIAB Cc1oc2c(c1C(=O)NCC1(c3ccccc3F)CCOCC1)CCCC2 19581351 FPXCMIGHBSULEN-UHFFFAOYSA-N 371.452 4.084 0 40 FIAB O=C(c1cccc(OCc2cscn2)c1)N1CC[C@H]2CCCC[C@@H]2C1 21905450 FBQRBHGGDMRPAG-NVXWUHKLSA-N 356.491 4.374 0 40 FIAB C[C@@H](OC(=O)Cc1ccccc1F)C(=O)Nc1cccc2ccccc12 22047835 JNDHWRIIHQZLDK-CQSZACIVSA-N 351.377 4.092 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCCOc1cccc(C(F)(F)F)c1 22480312 FZLAASYTLLTRIH-UHFFFAOYSA-N 373.758 4.176 0 40 FIAB O=C(Nc1nccs1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 22966524 RVTLEUVPSOXKQF-UHFFFAOYSA-N 372.759 4.253 0 40 FIAB CC(C)c1ccccc1OCC(=O)NCc1ccc(CN2CCCC2)cc1 24389720 CEKWDLQZGAUJSY-UHFFFAOYSA-N 366.505 4.101 0 40 FIAB CC[C@@H](C)[C@H](C(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccccc1 24830905 PJBZUHLRYOTGLJ-KUHUBIRLSA-N 359.491 4.167 0 40 FIAB O=C(CCc1nc2ccccc2s1)Nc1cccc(Cn2ccnc2)c1 25183015 WJJUFNLUOWRWCF-UHFFFAOYSA-N 362.458 4.112 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1nc(SC)ncc1Cl 25666671 HIRWNTSYYSRLBU-UHFFFAOYSA-N 362.307 4.229 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(C)n1C 27750220 NCQMZNPZNAUEPC-UHFFFAOYSA-N 361.804 4.019 0 40 FIAB CCOc1ccccc1C(=O)Nc1c(C)nn(Cc2ccccc2F)c1C 28231484 GNDFMQCPXALXMF-UHFFFAOYSA-N 367.424 4.338 0 40 FIAB CCOc1cc2c(cc1NC(=O)CSc1ccc(C)cc1)O[C@H](C)C2 29295066 IDAOOWLIFQLSNH-CQSZACIVSA-N 357.475 4.448 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCOc2ccc(C)cc2C)cc1Cl 32795929 QPUXVGFSRWUMHK-UHFFFAOYSA-N 360.841 4.323 0 40 FIAB CCNc1nc(SCCC(=O)Nc2ccccc2)nc2ccccc12 32871263 VRJPDPHOINUBAT-UHFFFAOYSA-N 352.463 4.183 0 40 FIAB COc1ccc(C(=O)CCC(=O)Nc2cccc3c2CCCC3)cc1OC 32901703 FWSCHLUSRIRTBK-UHFFFAOYSA-N 367.445 4.184 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccccc2)cc1OC 40042768 CAXRERODVHOLDS-GOSISDBHSA-N 367.445 4.030 0 40 FIAB Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1ccccc1OC(F)(F)F 40145169 RRQMWYNVSBWTAE-UHFFFAOYSA-N 369.387 4.084 0 40 FIAB CCC(CC)N(Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C1CC1 40151389 ZISAVMAREUNIRZ-UHFFFAOYSA-N 357.527 4.421 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 45123466 MGZYGPLMXGMLSS-GJZGRUSLSA-N 369.465 4.010 0 40 FIAB Cc1cc([C@@H](C)NC(=O)Nc2nnc(-c3ccccn3)s2)c(C)s1 47790817 FSEUEJAHKNWEEG-SNVBAGLBSA-N 359.480 4.161 0 40 FIAB COc1ccc(OC)c(CNC2CCN(Cc3ccc(Cl)cc3)CC2)c1 48314448 UHZJKAMGCZZMMF-UHFFFAOYSA-N 374.912 4.111 0 40 FIAB Cc1csc(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)n1 48324995 RJQZWYAQKKOSQY-CQSZACIVSA-N 350.509 4.024 0 40 FIAB CC(C)CCC(=O)Nc1ccnn1Cc1ccccc1Br 57842623 NPWKAEZKVHNVQL-UHFFFAOYSA-N 350.260 4.069 0 40 FIAB Cc1cnn(CC2CC2)c1NC(=O)c1ccc(C2SCCS2)cc1 63848356 LARJBGXVEVIOIU-UHFFFAOYSA-N 359.520 4.332 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)C1(c2cccc(F)c2)CCCC1 69783943 AAVKLPHDCJTFOG-UHFFFAOYSA-N 355.409 4.025 0 40 FIAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)[nH]n1 71113097 CMNAZNLRRLYNBY-UHFFFAOYSA-N 367.424 4.325 0 40 FIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)=O)cn1 72214713 KFMMIIISPUCSEF-QGZVFWFLSA-N 361.486 4.307 0 40 FIAB CCN(C(=O)c1cccc(C(=O)OC)c1)[C@H](Cc1ccc(F)cc1)C(C)C 72303432 NMVCUOWVCKBYPY-HXUWFJFHSA-N 371.452 4.342 0 40 FIAB CC(C)c1ccc(Sc2ccc(N3CCC[C@H](C(=O)O)C3)nn2)cc1 73665945 VGULCALKELGSNO-HNNXBMFYSA-N 357.479 4.052 0 40 FIAB CC[C@@H]1CN(Cc2scnc2C)[C@H](CC)CN1Cc1scnc1C 92107746 GYDRGYFZGJVZDN-HZPDHXFCSA-N 364.584 4.091 0 40 FIAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccccc1 95116107 UFGCEEAKRWMXTN-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB C[C@@H](CCCc1ccccc1)C(=O)NCc1cccc(Cn2ccnc2)c1 95462901 UBWQCXVAWCYTFZ-IBGZPJMESA-N 361.489 4.207 0 40 FIAB CC(C)n1cc(C(=O)NCCc2nc3ccccc3n2C)c2ccccc21 95479057 VBJWRHSSDJJVOG-UHFFFAOYSA-N 360.461 4.081 0 40 FIAB CO[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C)s1 96104751 ZSKWJVIVRUWMET-ZDUSSCGKSA-N 359.369 4.073 0 40 FIAB O=C(Nc1cc2ccccc2oc1=O)c1cccc(Oc2ccccn2)c1 96122629 WAKYISLECHOUAG-UHFFFAOYSA-N 358.353 4.233 0 40 FIAB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915974 OAZITJUUAWYFTF-LWXDXOGTSA-N 360.494 4.066 0 40 FIAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC[C@H](C)C(C)=O)C(=O)OC2 146489925 HRYHMFTVUSXJPA-SRXBQZRASA-N 360.450 4.264 0 40 FIAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)CSCc2ccc(Cl)cc2F)c1 187956679 GJJVYLCNAQJANH-UHFFFAOYSA-N 369.845 4.368 0 40 FIAB O=C(NC[C@H]1CCCN1c1ccccc1)C1(c2cccs2)CCCC1 211117462 AXGLUTHEJXVBIU-GOSISDBHSA-N 354.519 4.345 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C)c1ccc(OC)c(OC)c1 219290162 VJWIKJHVAHGGBC-RDJZCZTQSA-N 357.450 4.047 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2cccc(C)c2C)ccc1Cl 222820358 KSNHBHSYAQWDSD-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 223328328 IJZOOWUNFLXJEL-GFCCVEGCSA-N 359.297 4.037 0 40 FIAB COc1cccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 223448616 YMCHBRQAFWOOOS-HAVVHWLPSA-N 373.452 4.431 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(C)c(Cl)c1 224163569 MHPXYHKDQPWDNG-HNNXBMFYSA-N 361.869 4.173 0 40 FIAB Cn1c(=O)sc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21 225039460 CWHBSLIWKAGZFO-UHFFFAOYSA-N 368.502 4.469 0 40 FIAB CCCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1)C1CC1 225674715 MOKYKKFRRJNELL-YJYMSZOUSA-N 369.889 4.288 0 40 FIAB CCC[C@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 225832981 ULIIVXBJQMSHST-LUJRCDHRSA-N 356.491 4.132 0 40 FIAB Cc1noc(C)c1-c1ccnc(C2CCN(Cc3ncccc3F)CC2)c1 257249651 JJFYXNMVXQULGW-UHFFFAOYSA-N 366.440 4.267 0 40 FIAB O=C(N[C@H]1CCc2ccccc21)c1ccc2c(c1)NC(=O)c1ccccc1N2 390829275 XYFRWELXZAJEBX-IBGZPJMESA-N 369.424 4.413 0 40 FIAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2c1[C@H](c1ccco1)CC(=O)N2 409147482 WVIOMDRJZBWITC-NSHDSACASA-N 372.833 4.282 0 40 FIAB Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc3nccnc3cc2F)o1 548427821 CGQZAISTVITQFV-SFHVURJKSA-N 353.397 4.428 0 40 FIAB Cc1nn(CCNC(=O)/C=C/c2ccccc2F)c(C)c1-c1cccs1 575612737 LKVXCWIEWBDAJY-MDZDMXLPSA-N 369.465 4.197 0 40 FIAB Fc1ccc(Cc2nnc3sc(Cc4cccc(Cl)c4)nn23)cc1 632816 YCFKFALUTWOHPK-UHFFFAOYSA-N 358.829 4.160 0 40 FIAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)s1 639803 NCIOQRPCGQWUJD-UHFFFAOYSA-N 366.689 4.273 0 40 FIAB NC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCC2 803461 QWMAWJPFUKTYFL-UHFFFAOYSA-N 369.273 4.285 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 855259 ZKTGJLDGVVQZAM-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB CC1(C)[C@]2(C(=O)Nc3ccc(Br)cc3)CC[C@@]1(C)C(=O)C2 1448503 NHOOMFMCKXKJQI-DLBZAZTESA-N 350.256 4.173 0 40 FIAB CC(C)OP(=O)(OC(C)C)[C@H](O)c1ccc(Br)cc1 2281908 YLNYYEKPUCIHTA-ZDUSSCGKSA-N 351.177 4.483 0 40 FIAB CCCCN(CCCC)CCCn1cnc2c([nH]c3cc(C)ccc32)c1=O 2363291 JWZSBUDYYXGWHC-UHFFFAOYSA-N 368.525 4.479 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 2619677 UKCJTVFSWYYHJX-UHFFFAOYSA-N 351.475 4.172 0 40 FIAB COC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc(C)c1C 2747048 ZCFIMLSOCJXREB-UHFFFAOYSA-N 370.430 4.367 0 40 FIAB Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1 2930935 RFJFJNSUBDKNOK-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 3335511 BWQWLOUKDXUSFH-UHFFFAOYSA-N 364.445 4.289 0 40 FIAB COc1cccc2nc(NC(=O)c3ccc(Br)s3)sc12 4176531 KAWCIMFAALWNEY-UHFFFAOYSA-N 369.265 4.381 0 40 FIAB Cc1[nH]c(SCC(=O)NC2CCCCCC2)nc1Cc1ccccc1 4492632 ZLOWLJKITPLBFP-UHFFFAOYSA-N 357.523 4.240 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1ccco1 4519844 WMTAYBNWTRQVML-UHFFFAOYSA-N 374.491 4.011 0 40 FIAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)NCc2ccccc2)cc1 4699233 QIZOVFSGYNLTEA-KRWDZBQOSA-N 352.478 4.481 0 40 FIAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 5029826 BKHNEPHIMDDBKX-MHECFPHRSA-N 367.813 4.427 0 40 FIAB COc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 5257826 WHMJNZPIGWESGM-QRYOHXEKSA-N 373.493 4.047 0 40 FIAB CCOc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3F)c2)nn1 5259651 LOOOLMBDBPKMPK-UHFFFAOYSA-N 355.344 4.073 0 40 FIAB CC(C)On1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 5478323 LMPQKCZMOYCDBW-UHFFFAOYSA-N 360.866 4.179 0 40 FIAB COc1ccc(C2=NNC(c3cccs3)=Nc3ccc(F)cc32)cc1 5484027 URYHNORGGQHCOQ-UHFFFAOYSA-N 351.406 4.330 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 5972355 CWCUOERQIQVNGQ-QGZVFWFLSA-N 370.518 4.259 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 6022781 HQTFLPZANHMYPB-UHFFFAOYSA-N 353.919 4.189 0 40 FIAB CC(=O)Nc1ccc([C@H]2SCC(=O)N2CCc2ccc(Cl)cc2)cc1 6585888 GLGNIVYGTUNAPC-LJQANCHMSA-N 374.893 4.115 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2Cl)C(C)C)cc1 6778646 ITONVXYNOAJMLJ-SFHVURJKSA-N 374.868 4.132 0 40 FIAB C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1CCCC1 6785133 JJRSYKMDJBHTPT-HNNXBMFYSA-N 353.418 4.083 0 40 FIAB COc1ccc(C)cc1NC(=O)N1CCC(CN2CCCCCC2)CC1 6877370 OIFAKVAZDSNWHQ-UHFFFAOYSA-N 359.514 4.124 0 40 FIAB COc1ccc(CCC(=O)Nc2nc(-c3cccs3)cs2)cc1OC 6886521 XCWNRJWDTIKOLE-UHFFFAOYSA-N 374.487 4.460 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3cccc(Br)c3)o2)cc1C 7595706 XMLGMFOEYKTTRU-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB COCCc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 7973621 IZIWQZBRTJKAPE-UHFFFAOYSA-N 356.422 4.390 0 40 FIAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1cccc(F)c1 7989865 WFOWWLNOUGYMHR-UHFFFAOYSA-N 374.419 4.426 0 40 FIAB COc1ccccc1N1CCN(c2ccnc3cc(Cl)ccc23)CC1 8055266 CMUPNGQUIBIZOF-UHFFFAOYSA-N 353.853 4.223 0 40 FIAB Cc1ccc(C(=O)[C@H](Sc2nnnn2C2CC2)c2ccc(C)cc2)cc1 8232129 MKXBTABSSYYRHK-LJQANCHMSA-N 364.474 4.341 0 40 FIAB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(C=O)cc2Cl)c1 8369949 SAIACBPCZNOWFF-UHFFFAOYSA-N 352.217 4.440 0 40 FIAB CC(=O)c1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 8583048 CFOVSBLOKVOCAD-UHFFFAOYSA-N 363.808 4.415 0 40 FIAB CC(=O)c1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 8734247 XOTZBCYIMPTEHL-UHFFFAOYSA-N 370.355 4.394 0 40 FIAB O=C(c1ccccc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 8767594 PRXZLOXCQSFEAT-UHFFFAOYSA-N 351.427 4.366 0 40 FIAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 9063155 NJBVZGQRZLTNGX-UHFFFAOYSA-N 350.462 4.048 0 40 FIAB O=C(CSc1nnc(-c2cccnc2)o1)C12CC3CC(CC(C3)C1)C2 9145900 ZIKVZDSDHXVDFU-UHFFFAOYSA-N 355.463 4.009 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N[C@H](C)c2ccccc2C)c1C 9218318 VBERIVLYKLJVOF-GDBMZVCRSA-N 356.466 4.039 0 40 FIAB Clc1cccc(OCc2nnc(-c3ccc(Br)o3)o2)c1 9386649 IRJOHZBQLANLBL-UHFFFAOYSA-N 355.575 4.325 0 40 FIAB O=C(COC(=O)c1ccccc1)Nc1c(Cl)cccc1C(F)(F)F 10868426 OQITXHIBVOHUDJ-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB CC(=O)[C@H](C)OC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 10955656 AIIGMABOLBIRHG-ZDUSSCGKSA-N 369.421 4.023 0 40 FIAB C[C@@H]1SC(=N)N(c2ncc(Cc3cccc(Cl)c3Cl)s2)C1=O 11689755 MPBYJZLMTHNFOO-ZETCQYMHSA-N 372.302 4.444 0 40 FIAB O=C(NC1(c2cccc(F)c2)CCCC1)c1cccc(N2CCCC2=O)c1 12197773 COZJDBIZJCOZCT-UHFFFAOYSA-N 366.436 4.152 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2sccc2C1 12215504 KIMKCNLSPQMHEE-JTQLQIEISA-N 356.274 4.407 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 12579481 XEBIAXVXTHZQSC-MRXNPFEDSA-N 360.244 4.246 0 40 FIAB CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc3c2C(=O)NC3)cc1 12792996 JDPWYMNTACJMID-UHFFFAOYSA-N 366.461 4.025 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12795660 SNMHRFWVRSUHOV-LJQANCHMSA-N 351.446 4.388 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NCc3cccc(NC(=O)C4CC4)c3)cc2c1 12934553 BMQFWMKWOKGJIS-UHFFFAOYSA-N 373.456 4.130 0 40 FIAB Cc1cc(/C=C/C(=O)N2CCC(C)CC2)c(C)n1-c1ccnn1C(C)C 12985030 UCYNHWQATKXPDP-VOTSOKGWSA-N 354.498 4.143 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13708927 IGVLVXDLGHLSGZ-OAHLLOKOSA-N 363.413 4.423 0 40 FIAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 14009721 GAZPQIZCAQZVFS-ONDHQXCVSA-N 368.408 4.096 0 40 FIAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1C(F)(F)F 14152470 ALGRXXFYVPMXAC-UHFFFAOYSA-N 368.380 4.395 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OC 15008090 AZCZYNFXSJAYAT-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB O=C(NCc1ccccc1)C1=Cc2cc(Br)ccc2OC=C1 15838619 QUCPBHQOQIJMAJ-UHFFFAOYSA-N 356.219 4.055 0 40 FIAB CCOc1ccc(NC(=O)COc2ccc(C)c(C)c2)c2cccnc12 15840825 NXDSZEFFCOHGHW-UHFFFAOYSA-N 350.418 4.268 0 40 FIAB COc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccc(C)s3)o2)C1 19217636 CWHGKWVUWDWXEV-MRXNPFEDSA-N 369.490 4.495 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 20104509 WHPNRFGIJWRSAZ-IBGZPJMESA-N 371.477 4.137 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20452263 YTPRMCYHPLHYEF-SJORKVTESA-N 371.477 4.170 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(-n2ccnc2)cc1 20495575 YICDOCBLNWJIED-QGZVFWFLSA-N 371.440 4.109 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(nc4nc5ccccc5n4c3C)C2)cc1 20635347 YQPIYJOFXYDJPS-OAHLLOKOSA-N 357.413 4.112 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)N2CCC[C@@H]2c2cccs2)c1 22131724 JPHODJXLYOUDLP-MRXNPFEDSA-N 374.531 4.092 0 40 FIAB COc1ccccc1-c1csc(NC(=O)COc2cccc(Cl)c2)n1 28232780 SGWJTYPVFMALTJ-UHFFFAOYSA-N 374.849 4.490 0 40 FIAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccccc1Br 32027861 PVRIHXJHJAQWFN-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB Cc1c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)oc2ccc(Cl)cc12 32738134 DABDBOZVYXDLAD-CQSZACIVSA-N 371.820 4.307 0 40 FIAB COC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccc(F)cc3)nn12 36615765 SLASBGDCLBPQNS-UHFFFAOYSA-N 365.339 4.128 0 40 FIAB Cc1noc(CSc2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)n1 40050886 MPKPHPPKUAEQDL-UHFFFAOYSA-N 361.373 4.201 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)o1 40060442 WHURTVKOAIJJGE-RAGWFKERSA-N 355.409 4.155 0 40 FIAB Oc1nc2sc3c(c2c2nc(-c4ccc(F)cc4)nn12)CCCCC3 40162316 PXWOOLCFWORUME-UHFFFAOYSA-N 354.410 4.120 0 40 FIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCc2ccccc21 41095870 KLVSQCWNLZYYHS-UHFFFAOYSA-N 359.491 4.269 0 40 FIAB c1cncc(Oc2ccccc2CSc2nncn2Cc2ccco2)c1 58225136 AYDRIVIVQFBDDC-UHFFFAOYSA-N 364.430 4.399 0 40 FIAB O=C(COC(=O)c1nccc2ccccc12)Nc1ccccc1C(F)(F)F 64734192 RMMQCSUGSXHUHK-UHFFFAOYSA-N 374.318 4.049 0 40 FIAB COc1cccc(-c2noc(-c3sc4nc(C)cc(C)c4c3N)n2)c1 65595482 PFJIDAYHAWUHLS-UHFFFAOYSA-N 352.419 4.221 0 40 FIAB CN(C(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1F 65863860 OTPQLUQIZWNBLB-UHFFFAOYSA-N 359.198 4.413 0 40 FIAB CCOc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OCC 65997174 FJALGPNJMWDWJZ-LSHDLFTRSA-N 353.344 4.344 0 40 FIAB Cc1cc(CNC(=O)c2oc3c(c2C)C(=O)CCC3)c2[nH]c(C)c(C)c2c1 69415996 NNMLJWMPVBDPAJ-UHFFFAOYSA-N 364.445 4.444 0 40 FIAB C[C@@H]1C[C@H](Sc2ncnc3scc(-c4ccc(F)cc4)c23)C(=O)O1 69982627 NZNQROHQKFLTCZ-RNCFNFMXSA-N 360.435 4.294 0 40 FIAB Cn1c(=O)c(/C=C2/SC(=O)N=C2Nc2ccccc2)cc2ccccc21 71286251 WXTOVBTTYHESGN-SFQUDFHCSA-N 361.426 4.257 0 40 FIAB C[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 75155387 AQVSPWGNKGNGBD-QHCPKHFHSA-N 363.432 4.059 0 40 FIAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc(Cl)c1 89827795 WTQDIKVSDWSHPI-SFHVURJKSA-N 370.836 4.273 0 40 FIAB O=C(CCc1ccccc1)N1CCC[C@]12CCCN(Cc1ccccc1)C2 96214660 SOZLYFKSVLWZOH-DEOSSOPVSA-N 362.517 4.276 0 40 FIAB COc1cccc(NC(=O)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c1 100419683 OAZFBDGMELALPH-WOJBJXKFSA-N 365.477 4.012 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCCC(=O)c3ccccc3)nnc12 100724595 LJKNYENVADTVCG-XOBRGWDASA-N 353.491 4.412 0 40 FIAB CCOc1cc(/C=C/C(=O)Nc2cccc(N3CCCC3)c2)ccc1OC 105058898 BJTIPEAUPSZTBW-ZRDIBKRKSA-N 366.461 4.346 0 40 FIAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C)cc1C 222755140 CELJXBHEEAHDKN-PMACEKPBSA-N 362.502 4.091 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 222796429 LXLYSMCFSCPNNX-RBUKOAKNSA-N 366.465 4.004 0 40 FIAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222904608 NMIWFUZGFLUWBE-HUUCEWRRSA-N 351.928 4.425 0 40 FIAB C[C@@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCCC2 223003927 YGCANRPMDJERKS-QGZVFWFLSA-N 359.473 4.301 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 223133671 SLQZEBYPOOTOAQ-JXFKEZNVSA-N 371.477 4.355 0 40 FIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223330835 GFDAJKZTJBSVNQ-CVEARBPZSA-N 355.488 4.217 0 40 FIAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223474599 RSNDPLKFVJFKGK-OAQYLSRUSA-N 370.468 4.078 0 40 FIAB COc1ccc(CNC(=O)CSCc2ccc(Cl)cc2F)cc1 223576628 LZTGPXVJBTUPCE-UHFFFAOYSA-N 353.846 4.037 0 40 FIAB CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccccc2Cl)s1 223856486 LHYSARVWIMFNNJ-JTQLQIEISA-N 371.915 4.346 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1Cl 224157012 ZJCXKGCYQPRDLD-CYBMUJFWSA-N 368.260 4.264 0 40 FIAB Cc1cccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)c1 225123651 LWGRVXYKFWHIFS-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB CCOc1ccccc1NC(=S)N[C@H]1CCCc2cc(OC)ccc21 225702612 AMTUQQCCJQRISE-KRWDZBQOSA-N 356.491 4.458 0 40 FIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225801974 CSSOJHBYBCAUOM-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2F)s1)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 247521239 XMQYFVZEPJWTBR-FVQBIDKESA-N 354.450 4.414 0 40 FIAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257282283 OTDCYICAKMTMPW-QGZVFWFLSA-N 369.396 4.068 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1CC 408560405 HOHOTIRPVJRDCI-UHFFFAOYSA-N 366.918 4.333 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 408665177 OMRSJHIDRXEXJY-MRXNPFEDSA-N 351.446 4.251 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 409121552 WQDORJMRPGOABG-CVEARBPZSA-N 370.518 4.475 0 40 FIAB COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1 409416269 VZHPHTKKDBVLFM-DAXSKMNVSA-N 352.217 4.080 0 40 FIAB C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)N=c1cc[nH]cc1 504150434 XVQRYYXZVBQHJH-VGSWGCGISA-N 357.457 4.114 0 40 FIAB O=C([C@H]1CCOC1)N1CCC2(CC1)C[C@H](c1ccccc1)c1ccccc12 1565556721 ZFKKOSNZNXEZDU-PZJWPPBQSA-N 361.485 4.119 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(Br)cc1 806014 VILRLTLTZNRKBT-UHFFFAOYSA-N 374.263 4.144 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CNc2ccc(C)cc2C)C1=O 1194994 FTVLQQVYMHKOJX-WQRHYEAKSA-N 368.458 4.418 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC 1295721 CPXGFZREOLRBDS-SFQUDFHCSA-N 355.415 4.335 0 40 FIAB COc1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)c1 2122965 POMXDARXZYYTJG-UHFFFAOYSA-N 363.413 4.037 0 40 FIAB biogenic CC(=O)c1sc2nc3c(c(-c4ccc5c(c4)OCO5)c2c1N)CCCC3 2230772 XBWZDBNJBCAWKO-UHFFFAOYSA-N 366.442 4.356 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(Cl)c3)NC(=O)CN21 2445252 BXOLPTPMISOQSU-GLCJEOIMSA-N 352.865 4.286 0 40 FIAB CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1ccc(OC)cc1 2626099 IDWHBVOPRFAGOS-UHFFFAOYSA-N 353.871 4.274 0 40 FIAB CCOC(=O)c1csc(NC(=O)c2ccc(Oc3ccccc3)cc2)n1 3264655 TVSRJMARWXMMEV-UHFFFAOYSA-N 368.414 4.364 0 40 FIAB CC(C)N(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccccc1 3378785 ICPCABLEJZGSOZ-HNNXBMFYSA-N 371.502 4.471 0 40 FIAB Clc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1Cl 4271801 QFPVNMMBQIIXOK-UHFFFAOYSA-N 371.231 4.129 0 40 FIAB CC[C@@H](C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2)c1ccccc1 4505626 HFZVBWRCIYWQOS-GOSISDBHSA-N 363.457 4.207 0 40 FIAB CC(C)(C)C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 4555175 YNDJMRRLJRVEPT-NRFANRHFSA-N 371.864 4.080 0 40 FIAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 4750048 JNPABTVJDNFSNE-UHFFFAOYSA-N 355.438 4.232 0 40 FIAB COc1cc2sc(NC(=O)COc3ccc(C)cc3)nc2cc1Cl 6477072 SFTUBKAMYRYISG-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB COc1ccc(-n2nnnc2SCc2ccc(Cl)c(Cl)c2)cc1 6647597 IACJXHDMEXKOPH-UHFFFAOYSA-N 367.261 4.270 0 40 FIAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccc(C)cc3)cc2)C1=O 6952454 BSBDHJUCPAVWED-SFHVURJKSA-N 355.459 4.200 0 40 FIAB Cc1sc2ncnc(S[C@@H](C(=O)NC3CC3)c3ccccc3)c2c1C 7085524 KYLIVLBSFIBCHC-MRXNPFEDSA-N 369.515 4.420 0 40 FIAB C[C@@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1Cl 7492257 PEIXGQYAIOYVQL-SNVBAGLBSA-N 370.207 4.245 0 40 FIAB O=C(c1cccc(F)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7596597 BTPLPQNXSQYCPV-UHFFFAOYSA-N 371.799 4.334 0 40 FIAB Fc1cccc(-c2nnn3c2nc(N2CCCC2)c2cc(Cl)ccc23)c1 7615886 QGXSLEHBPSDEKX-UHFFFAOYSA-N 367.815 4.337 0 40 FIAB COc1ccc(OCCSC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 7780840 AKYFGOMQTSMJRI-SFHVURJKSA-N 353.447 4.241 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cc(C)ccc2C)CC1=O 7929353 UNFVQOZYBNPRBU-LJQANCHMSA-N 365.473 4.387 0 40 FIAB CC(C)Cn1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1ccccc1 8221964 BAVRRERGBCMWPB-MRXNPFEDSA-N 372.538 4.094 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1occc1-c1cccs1 8327546 SBXXGFCCFGEGDV-GFCCVEGCSA-N 371.414 4.201 0 40 FIAB O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@@H]1c1nc2ccccc2s1 8340259 JHXBOHCLZNWXDO-SJLPKXTDSA-N 364.470 4.354 0 40 FIAB COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl 8497903 KNSPZFJNLZCRIN-LBPRGKRZSA-N 370.276 4.051 0 40 FIAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 8782403 BHZGRMQARAHJES-UHFFFAOYSA-N 354.406 4.042 0 40 FIAB COc1ccc2oc(C(=O)Nc3ccccc3N3CCCC3=O)c(C)c2c1 8980339 GCCNDTXQTIDGRB-UHFFFAOYSA-N 364.401 4.129 0 40 FIAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)Nc1ccc2c(c1)OCO2 8988109 AMDYJMKHQFZRTL-UHFFFAOYSA-N 367.254 4.279 0 40 FIAB CSc1ncccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 10883986 FDKRCUJFWJWUDH-UHFFFAOYSA-N 351.475 4.305 0 40 FIAB Cc1nccn1-c1ccc(NCc2cc(-c3ccc(F)cc3)c[nH]c2=O)cc1 12143459 AMOLROVFWSMOKS-UHFFFAOYSA-N 374.419 4.287 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 12755213 NQAPFEFCXZHITQ-BUBBNXEVSA-N 374.912 4.308 0 40 FIAB Cc1c(O)ccc2c(CN(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc(=O)oc12 12767713 UOKOUJXRDREHBW-SJCJKPOMSA-N 353.418 4.155 0 40 FIAB CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)[C@@H](c2ccccc2)C1 12793503 NYZAIWYTCNTFAU-GNISGLHKSA-N 358.844 4.008 0 40 FIAB C[C@@H](Sc1nncc2ccccc12)C(=O)Nc1cccc2ncccc12 12982915 ZTGSEUDCMRDCLF-CYBMUJFWSA-N 360.442 4.297 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(Cl)cc1N1CCCC1=O 13004358 HUNGFRLZECAFFA-UHFFFAOYSA-N 358.825 4.036 0 40 FIAB Cc1ccccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 13141617 SLHRYUKDPPSSGV-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB Cc1ccc(NC(=O)Nc2ccc(CN3CCOCC3)cc2)c(Cl)c1 13324861 XMWXCCBVLDRBJT-UHFFFAOYSA-N 359.857 4.125 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 14139733 DJGXXOXWNYFJRZ-UHFFFAOYSA-N 358.413 4.411 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c2cccnc12 15840653 CTYKLJLGZRVACP-OAHLLOKOSA-N 350.418 4.266 0 40 FIAB C[C@H]1CCCC[C@H]1N1CCN(Cc2ccc(Br)cc2)CC1 19364141 OWGHSDXRNVLLLV-MAUKXSAKSA-N 351.332 4.145 0 40 FIAB Cc1noc(C)c1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 19580411 ILUSTJWZXQEETJ-HXUWFJFHSA-N 352.459 4.070 0 40 FIAB CCn1cc(CN2CCC(n3nc(C)cc3C)CC2)c2cc(OC)ccc21 19659278 OWSCLSOTBCGXEW-UHFFFAOYSA-N 366.509 4.320 0 40 FIAB CCOc1ccc(CCC(=O)N2c3ccccc3C[C@H]2C)cc1OCC 20485841 YVEMXXPGYPCKMP-MRXNPFEDSA-N 353.462 4.394 0 40 FIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCC(C)CC1 20492940 KTSWWLDYQLGQTL-GOSISDBHSA-N 368.974 4.449 0 40 FIAB CCOc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 21000853 FGNJZNJUEZENCB-UHFFFAOYSA-N 366.442 4.165 0 40 FIAB CCN(CC)[C@@H](NC(=O)c1ccccc1Cl)C(Cl)(Cl)Cl 21487030 GZVGERKSWQDLCQ-GFCCVEGCSA-N 358.096 4.108 0 40 FIAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(F)cccc3s2)n1 21685454 TTYIXZAFXLIXBH-UHFFFAOYSA-N 372.450 4.172 0 40 FIAB O=C(c1cccc(OCc2cscn2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 21905448 FBQRBHGGDMRPAG-DOTOQJQBSA-N 356.491 4.374 0 40 FIAB O=C(NCc1cn2cc(Cl)ccc2n1)c1cc2c(F)cccc2s1 22879201 NLSWEDCARJUBQG-UHFFFAOYSA-N 359.813 4.272 0 40 FIAB COC(=O)c1ccoc1CSc1ncnc2sc3c(c12)CC[C@H](C)C3 24037960 UAZROJOKNBOALA-JTQLQIEISA-N 374.487 4.488 0 40 FIAB Cc1nc(NC(=O)/C=C/c2c(C)nn(CC(C)C)c2Cl)sc1C 24042516 PIYBSLWJFKNNQF-VOTSOKGWSA-N 352.891 4.226 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)ccc3F)sc2c1 24864214 IBRCMTGHJCLRRO-UHFFFAOYSA-N 363.801 4.300 0 40 FIAB O=C(O)C/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 28495883 MQGAKPOYAAFWIV-LCYFTJDESA-N 353.399 4.083 0 40 FIAB Cc1cccc(C(=O)N[C@@H](C(=O)N(C)Cc2ccc(Cl)cc2)C(C)C)c1 29004474 ZHAQIYZZBOVHFW-LJQANCHMSA-N 372.896 4.061 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2cnn(-c3ccccc3)c2)c(OC)c1 29699991 LVPZTUXVRSUBCZ-OAQYLSRUSA-N 363.461 4.227 0 40 FIAB O=C1C[C@H](C(=O)N[C@@H](c2cccs2)C2CCCC2)c2ccccc2N1 31803839 GCNAFNIASKYLCI-HNAYVOBHSA-N 354.475 4.222 0 40 FIAB FC(F)(F)c1c[nH]c(CNCc2ccc(OCc3ccccc3)cc2)n1 35572466 LWTJGYWJAGSZPV-UHFFFAOYSA-N 361.367 4.297 0 40 FIAB O=C(CCC1CCCC1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 38666449 DINRFCRXDOVDHY-HNNXBMFYSA-N 359.495 4.475 0 40 FIAB O=C(NCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38857401 BWECIMPOKJOUBX-QGZVFWFLSA-N 360.860 4.008 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cn1 40142447 DDZNOMIHBUDKED-UHFFFAOYSA-N 352.413 4.176 0 40 FIAB O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1Cl 43210863 JETWBJDADBLVOB-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB COc1cccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 44906909 VTEJKLKHMQERNP-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB Cc1nn(C)c2c1[C@@H](c1cccc(OC3CCCC3)c1)SCC(O)=N2 49548856 BORRSDSIBHNOBA-GOSISDBHSA-N 357.479 4.474 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)CCc1c(C)noc1C)c1nc2ccccc2[nH]1 54635673 LFLHPLQNTARSHE-HXPMCKFVSA-N 354.454 4.004 0 40 FIAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccco1)C3 55393767 JCJUGZFXHYSHBP-UHFFFAOYSA-N 359.809 4.344 0 40 FIAB O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 71804300 KQJBMPSCMKIGEG-JKSUJKDBSA-N 372.350 4.028 0 40 FIAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 72271168 VBOKXXCIUDYJMR-QZTJIDSGSA-N 361.420 4.121 0 40 FIAB O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(Oc2ccccc2)cc1 90611494 BZQCQOMETVKWHD-XMMPIXPASA-N 373.452 4.129 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)o1 96100269 IEMXRDLWGYGIGF-OAQYLSRUSA-N 364.489 4.164 0 40 FIAB CC[C@@](CNC(=O)c1ccccc1Br)(OC)c1ccccc1 96123726 AQHGBDVTWPSKLC-SFHVURJKSA-N 362.267 4.131 0 40 FIAB Cc1nc(-c2noc3ccc(C(=O)NCc4cccs4)cc23)cs1 96154419 RGWWMVXELHQGQU-UHFFFAOYSA-N 355.444 4.251 0 40 FIAB CC(C)c1ccc(C(=O)Nc2ccc(I)cn2)cc1 105867161 ISFBTSZIEHADNM-UHFFFAOYSA-N 366.202 4.062 0 40 FIAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 108875863 YXENJKHDPAWECH-UHFFFAOYSA-N 350.462 4.346 0 40 FIAB Cc1ccccc1[C@H]1CCN(C(=O)Cc2noc3ccccc23)CCS1 219268415 LOCCKMXYHFQCAQ-HXUWFJFHSA-N 366.486 4.386 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 222869969 BVIWCAYWRJRJTI-RBUKOAKNSA-N 356.539 4.463 0 40 FIAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC)cc1 222912846 KEDIELUAMPAECA-HXUWFJFHSA-N 355.478 4.467 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccc2c(c1)CCCC2 223076303 DRXRFOGZQDBKHA-OAQYLSRUSA-N 357.519 4.445 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1Cl 224443721 RRJDPFDUNWBJFL-MRXNPFEDSA-N 368.260 4.346 0 40 FIAB COc1cccc2cc(C(=O)Nc3sccc3-c3nc(C)no3)oc12 225659194 NBEPQRBAQXJXOR-UHFFFAOYSA-N 355.375 4.114 0 40 FIAB Cc1cc(N)cc(Cl)c1NC(=O)COc1ccc(Br)cc1 227145396 XLSWGOIQZYVZDL-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1C 330960657 BJQUBLCBUWKGQW-UHFFFAOYSA-N 372.415 4.432 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl 408617988 BOXWAUFIEAEYOB-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB CC1CCN(C(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)CC1 408679206 VJYHJDLIKJABOS-UHFFFAOYSA-N 364.420 4.187 0 40 FIAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3)n2C)cc1 409206300 UAPXIRLYKAYIMJ-MRCUWXFGSA-N 352.459 4.120 0 40 FIAB C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)c1c[nH]c2ncccc12 502095505 GYNJXAYBTUWWFH-CQSZACIVSA-N 362.458 4.171 0 40 FIAB c1csc(CCc2nc(-c3ccc(OC4CCOCC4)cc3)no2)c1 546502182 USBXUACNHKLQDJ-UHFFFAOYSA-N 356.447 4.141 0 40 FIAB CC(C)Nc1ccc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)cn1 674605006 ZUOUADDMPLGZOB-UHFFFAOYSA-N 356.857 4.009 0 40 FIAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccccc1Cl 640998 QNIZFEHUXPHRSQ-GOSISDBHSA-N 370.836 4.448 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1 1006674 MBKDNYDNWQGYQM-UHFFFAOYSA-N 364.376 4.339 0 40 FIAB CCOC(=O)[C@@H](C)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 1791348 ILOLFEDHCCEXCZ-GFCCVEGCSA-N 372.804 4.444 0 40 FIAB Cc1cccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)c1 2245927 FTNWWBHWQLSUOQ-UHFFFAOYSA-N 374.444 4.277 0 40 FIAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21 2368151 CCPUPBBFHXWAMY-MRXNPFEDSA-N 359.404 4.223 0 40 FIAB aggregator CCc1nc(SCC(=O)NC2CCCC2)c2oc3ccccc3c2n1 2419489 YHFOJNCITIXQJD-UHFFFAOYSA-N 355.463 4.089 0 40 FIAB Cc1cc(C)c2nc(NC(=O)c3cc(=O)c4ccccc4o3)sc2c1 3227904 RXYNGLOARFZCBL-UHFFFAOYSA-N 350.399 4.272 0 40 FIAB O=C(CSC(=O)c1ccccc1)Nc1ccc(Br)cc1F 3275367 GBWSJPUSWKWJJJ-UHFFFAOYSA-N 368.227 4.100 0 40 FIAB CCOC(=O)c1oc2ccccc2c1NC(=O)CSCc1ccccc1 3525827 HJVMDLCOKLBLPS-UHFFFAOYSA-N 369.442 4.481 0 40 FIAB CCc1ccccc1NS(=O)(=O)c1ccc(Br)c(C)c1 3581200 MPIZHCVBNLEEES-UHFFFAOYSA-N 354.269 4.121 0 40 FIAB Cc1ccccc1CSc1ncnc2c1nnn2Cc1ccc(F)cc1 4166472 SJOIVOBDEDBLDG-UHFFFAOYSA-N 365.437 4.009 0 40 FIAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1ccccc1 4932616 ZFNDJTIBEPKOTE-UHFFFAOYSA-N 373.412 4.191 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2ccccc12 5412311 RWRFRFAMCCREHW-UHFFFAOYSA-N 355.415 4.339 0 40 FIAB CCSc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 6232380 YBGJEFDEBUFFOP-UHFFFAOYSA-N 357.888 4.100 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)NCCc1c[nH]c2ccccc12 6758506 XDLHGALAEOVAJJ-UHFFFAOYSA-N 361.470 4.193 0 40 FIAB Cc1ccc(OCCCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7504710 NGRLVLWTOLXZBH-UHFFFAOYSA-N 366.505 4.120 0 40 FIAB CCc1cccc2c(C(=O)CSc3nnc(C4CC4)n3CC)c[nH]c12 7618325 OBMOCVLRZRKSSA-UHFFFAOYSA-N 354.479 4.194 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)c1C 7858328 BBHIHNGBWDWHFC-LBPRGKRZSA-N 372.494 4.001 0 40 FIAB Cc1cc(C)cc(-n2nnnc2Sc2ncnc3sc(C)c(C)c23)c1 8203450 YAKWIXGKEYLMGA-UHFFFAOYSA-N 368.491 4.052 0 40 FIAB CC(C)c1ccccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 9319342 UOXXVJNYRZEHOJ-IBGZPJMESA-N 363.461 4.429 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc2ccccc2s1 9494181 FLTNANTYOULKDB-UHFFFAOYSA-N 351.435 4.183 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccccc1Cl 10447713 GJPJNVRUAZZURW-LBPRGKRZSA-N 356.857 4.465 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccc(Cl)cc1 10447818 BNAPRVKMCLSZFI-GFCCVEGCSA-N 356.857 4.465 0 40 FIAB O=c1c2ccc(Cl)cc2ncn1Cc1ncc(-c2ccc(Cl)cc2)o1 10688543 KBJQRIVAHQRYLK-UHFFFAOYSA-N 372.211 4.407 0 40 FIAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccccc1C(F)(F)F 11027682 WNWIUOAXCMPMNI-MRXNPFEDSA-N 368.424 4.334 0 40 FIAB Cn1nccc1C(=O)N(Cc1ccccc1)c1nc2ccc(F)cc2s1 11695097 IARQWUCKDQLBCU-UHFFFAOYSA-N 366.421 4.016 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cc3cc(Cl)ccc3nc2C)c1 11767663 WCICREQSUGUMJA-UHFFFAOYSA-N 353.809 4.407 0 40 FIAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1 12111321 HHDVKRKLVUMMPL-UHFFFAOYSA-N 357.797 4.430 0 40 FIAB O=C(O)COc1ccccc1CN1C[C@H](c2ccccc2)C2(CCCC2)C1 12228177 VUESGVXUWYJFDQ-HXUWFJFHSA-N 365.473 4.310 0 40 FIAB CN(Cc1cc2ccccc2n(C)c1=O)C(=S)Nc1ccccc1Cl 12391744 IGKAAYGPDOFZHC-UHFFFAOYSA-N 371.893 4.021 0 40 FIAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)on1 12422338 XBTPIVMZAQEAOB-CQSZACIVSA-N 371.462 4.035 0 40 FIAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 12536106 YVWFYHWGODJMAQ-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CCCCC1 14020642 NEJJCHKYCAGIEF-UHFFFAOYSA-N 350.462 4.121 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c2cccnc12 15840651 VVJQGHRAYGGQJQ-HNNXBMFYSA-N 350.418 4.266 0 40 FIAB CCc1[nH]c2ccc(C(=O)N3CCC[C@@H](CN(CC)CC)C3)cc2c1C 19521348 LLPCWCKIROKPHE-KRWDZBQOSA-N 355.526 4.233 0 40 FIAB Cc1ncc(CN2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)s1 19693483 YMIOLRZOVDXINC-FQEVSTJZSA-N 369.465 4.226 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)ccc1Cl 20452993 UORPIJUAJAADEK-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB Cc1cc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)c2ccccc2n1 23601518 OQWXAVXGEUTFAU-UHFFFAOYSA-N 356.372 4.417 0 40 FIAB Cc1cc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)nc(C)n1 24567413 SEAVIHIDEXBWGP-UHFFFAOYSA-N 366.368 4.455 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 27921919 HSEYFPPUQOEQKH-WOJBJXKFSA-N 363.436 4.430 0 40 FIAB CSC(=N)NP(=O)(OCc1ccccc1)OCc1ccccc1 38614420 JZELUQXMIHNIRU-UHFFFAOYSA-N 350.380 4.415 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(Sc4nnc5n4CCCCC5)c23)C1 40019897 KVRPYIJXZRLWRS-NSHDSACASA-N 371.535 4.285 0 40 FIAB Cc1cccc(NC(=O)CCCc2cccs2)c1C(=O)N1CCCC1 40107666 LEELAKFCLHXIPE-UHFFFAOYSA-N 356.491 4.254 0 40 FIAB CCN(CC)CCOc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 47304157 DAHBFGFKXVTHBC-UHFFFAOYSA-N 367.449 4.109 0 40 FIAB C[C@H](Sc1ncccc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 48263667 UIXBFMYTBCFVKP-IWERZKIRSA-N 350.915 4.301 0 40 FIAB CCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(SC)cc1 49006250 RFEAUZMGTAFLQU-UHFFFAOYSA-N 357.504 4.148 0 40 FIAB CCc1ccc(CNC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1 51317776 PCKVBJYVRQMGEE-UHFFFAOYSA-N 368.868 4.030 0 40 FIAB O=C(c1ccccc1-n1cccn1)N1CCC[C@H](c2nc3ccccc3o2)C1 52620806 VIUJRMPAEUAVQK-INIZCTEOSA-N 372.428 4.033 0 40 FIAB C[C@H]1CCc2c(C(=O)Nc3ccc(N4CCCC4=O)cc3)csc2C1 57932981 TZLYSEJJUIJSPW-ZDUSSCGKSA-N 354.475 4.252 0 40 FIAB O=C(c1cc(-c2cncnc2)nc2ccc(F)cc12)N1CCCCCCC1 63844959 SGONDNBIHOJOPS-UHFFFAOYSA-N 364.424 4.237 0 40 FIAB C[C@@H]1CN(Cc2ccc(Br)cc2)c2ccccc2N(C)C1=O 72305664 SJBAEFVQLDROQE-CYBMUJFWSA-N 359.267 4.068 0 40 FIAB COc1ccc(CNc2ncc(-c3cc(C)no3)c(C(C)(C)C)n2)cc1 72341134 KLPDJDGOXXKMGP-UHFFFAOYSA-N 352.438 4.358 0 40 FIAB O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357819 VBINMIUJASUEQS-OAQYLSRUSA-N 361.420 4.184 0 40 FIAB O=C1COc2ccc(Br)cc2CN1c1cccc(Cl)c1 75165453 MZTUCJYDAXEGHQ-UHFFFAOYSA-N 352.615 4.028 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1CNc1ccccc1Br 83264786 UMSPIOPEGWKZIB-LBPRGKRZSA-N 355.276 4.261 0 40 FIAB CC(C)c1ccsc1C(=O)OCC(=O)N1CCC[C@H]1c1cccs1 84630690 SGRIOSUCPSPPAG-AWEZNQCLSA-N 363.504 4.454 0 40 FIAB Cc1nc(-c2ccc(NC(=O)NCC3([C@@H](O)C(C)C)CC3)cc2)cs1 95463343 IRSYMTOLWWSUOG-KRWDZBQOSA-N 359.495 4.037 0 40 FIAB Cc1nc(N(C)C)sc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 95980894 OJIFKNRWAIQLLJ-SECBINFHSA-N 357.401 4.027 0 40 FIAB O=C(c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1)N1CCCC1 96147707 NATGNKDIAIRRLN-UHFFFAOYSA-N 372.472 4.258 0 40 FIAB COc1cc2c(=O)ncn(Cc3csc(C4CCCCC4)n3)c2cc1F 184905475 DDFHUHIIXXYDCH-UHFFFAOYSA-N 373.453 4.097 0 40 FIAB O=C(Nc1ccc(F)c(-c2cc3ccccc3oc2=O)c1)C(F)(F)F 216938301 WIYDJATVQWJJFC-UHFFFAOYSA-N 351.255 4.100 0 40 FIAB CC(=O)Nc1ccc(C(=O)N2CCS[C@@H](c3ccccc3C)CC2)cc1 219268531 QVDWSRHJQQBLOD-HXUWFJFHSA-N 368.502 4.274 0 40 FIAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC)N21 222659422 HAARGAYJLMNQEX-DOPJRALCSA-N 369.490 4.078 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)c2ccc(N3CCCCC3)cc2)c1 224010095 GYVDKOXSRCDGHD-UHFFFAOYSA-N 352.478 4.103 0 40 FIAB COc1ccccc1/C=C/C(=O)Nc1nnc(-c2ccc(C)cc2)s1 224374330 KYXIJUSXRCLYRL-VAWYXSNFSA-N 351.431 4.174 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225453873 OFLDMKVEOKGHNJ-WIYYLYMNSA-N 372.553 4.104 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2cccc(OCC)c2)cc1 225622696 REKWFQCHQIMBNS-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4OC)OCC[C@@]31C2 257221589 DPTHLUQKAWXFIJ-GETAXMSVSA-N 357.494 4.104 0 40 FIAB CC[C@H](C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257277591 NYPCAILIQQCCLV-KRWDZBQOSA-N 352.478 4.003 0 40 FIAB COc1ccc(-c2noc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)n2)cc1 257317765 VLBBEDWWJSSPQP-HNNXBMFYSA-N 371.387 4.013 0 40 FIAB CCc1nc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)co1 329474009 BMDWUMDJIYACFF-KRWDZBQOSA-N 356.466 4.226 0 40 FIAB O=C(c1ccccc1C(F)(F)F)[C@H](Br)CBr 382735169 WPGFBBUTQGBCHY-MRVPVSSYSA-N 359.967 4.047 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)c1 409103424 GWTBENNHJLPQPN-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CCOC)C2=O)c2ccccc21 409122750 BFIRNJFIVNHJQH-VVBXCHJUSA-N 358.463 4.295 0 40 FIAB Cc1c(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)oc2c1ccc1ccccc12 517814664 GWQKVMCNHLRWAG-UHFFFAOYSA-N 369.384 4.327 0 40 FIAB CC(C)(C)n1nnc(COc2cc(C(F)F)nc3ccc(Cl)cc23)n1 664034637 DTCJXHRUWADGHJ-UHFFFAOYSA-N 367.787 4.146 0 40 FIAB CSc1ccc(C(=O)N2CCC(COc3ncccc3C)CC2)cc1 1775969557 YFMSURRIRHABQY-UHFFFAOYSA-N 356.491 4.043 0 40 FIAB Clc1cc(Br)cnc1N1CCC(Oc2nccs2)CC1 2086869123 VSYGFUXSHYJONR-UHFFFAOYSA-N 374.691 4.002 0 40 FIAB Cc1ccccc1N[C@@H](NC(=O)c1ccco1)C(=O)c1ccc(Cl)cc1 913232 ACSKJRSPCQQPTM-IBGZPJMESA-N 368.820 4.292 0 40 FIAB Clc1ccc(-c2cn3cc(I)ccc3n2)cc1 1432233 MPQXSYKNXNYBOX-UHFFFAOYSA-N 354.578 4.259 0 40 FIAB biogenic O=C1c2ccccc2-c2c1c1ccccc1n2S(=O)(=O)c1ccccc1 1556420 ZZQWYVAIUKNYDO-UHFFFAOYSA-N 359.406 4.090 0 40 FIAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(Cl)cc1 2078141 NNYVQRLGJVQASZ-UHFFFAOYSA-N 373.836 4.183 0 40 FIAB Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008102 FOKIEPSJLVHIIG-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB CCc1ccc2nc(N(CCCN(C)C)C(=O)c3ccco3)sc2c1 4359666 UMHROZMYMWDTJJ-UHFFFAOYSA-N 357.479 4.050 0 40 FIAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccccc1F 4600980 HQBNVWVORRGYLM-QHCPKHFHSA-N 374.415 4.016 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3CC)CC2=O)cc1 6152444 XLMWJSLJIOHCAJ-SFHVURJKSA-N 350.462 4.111 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@H]1c1cccs1 6747884 QSOQYEKTPDMPFQ-GOSISDBHSA-N 353.447 4.102 0 40 FIAB O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCC1 6861690 KTNFLDJDNHBYDA-UHFFFAOYSA-N 371.444 4.246 0 40 FIAB CC(=O)c1ccc(NC(=O)CCOc2cccc(Br)c2)cc1 6886693 GXGOIFMWCPURQI-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1cccc(Cl)c1 6887202 OCUDYMCICRFOTP-UHFFFAOYSA-N 370.257 4.267 0 40 FIAB Cn1ccnc1SCCNc1ncnc2sc(-c3ccccc3)cc12 7129519 PQBSONVUSCTDNN-UHFFFAOYSA-N 367.503 4.296 0 40 FIAB Cc1nc(Sc2nnnn2C2CC2)c2c(-c3ccccc3)csc2n1 8074349 XWLHGAVPAOJGAB-UHFFFAOYSA-N 366.475 4.139 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 8101854 NZKGRFRILYOSES-UHFFFAOYSA-N 361.397 4.305 0 40 FIAB Cc1ccc2c(CC(=O)NC3CCN(Cc4ccccc4)CC3)coc2c1 8192388 WIBKEFAVEJUDEI-UHFFFAOYSA-N 362.473 4.065 0 40 FIAB C[C@H]1c2cccn2CCN1CC(=O)Nc1ccccc1Cc1ccccc1 8762258 QMAVDDXVZXEYIN-SFHVURJKSA-N 359.473 4.094 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)cc2c1C 9552034 VAIKXYPPNCJSHC-LBPRGKRZSA-N 371.824 4.017 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(F)cc1Cl 10281786 CXDRBMLTXGIROQ-UHFFFAOYSA-N 360.860 4.395 0 40 FIAB CCn1/c(=N\C(=O)c2ccccc2)sc2cc(Br)ccc21 12180837 OKUINHJMSJEHLT-FBMGVBCBSA-N 361.264 4.226 0 40 FIAB COc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccc(Cl)cc1)C3 12222676 GETJSSJXCUCNEF-UHFFFAOYSA-N 354.793 4.411 0 40 FIAB CN(CC(=O)Nc1ccc(F)cc1F)Cc1ccccc1N1CCCCC1 12562088 CGJUGTBHICZRLZ-UHFFFAOYSA-N 373.447 4.026 0 40 FIAB CC(C)c1noc(CSc2nnc(NCCc3cccs3)s2)n1 12738891 CYKRUMVDXRQESA-UHFFFAOYSA-N 367.525 4.053 0 40 FIAB Cc1cc(OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1C(C)C 12912519 IVWOGNIJMNFSSA-UHFFFAOYSA-N 366.461 4.028 0 40 FIAB Cc1ccc(C)c(SCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 12975148 OOZFVNGQMJHFQQ-SFHVURJKSA-N 372.534 4.332 0 40 FIAB CSc1ccc(CN(C)C(=O)c2c[nH]nc2-c2ccc(F)cc2)cc1 14068645 XWZKZOOAONCDIP-UHFFFAOYSA-N 355.438 4.210 0 40 FIAB COc1cc(NC(=O)C(C)(C)C)ccc1-c1cc2ccccc2oc1=O 14258530 SJTMLUSIYDIXBG-UHFFFAOYSA-N 351.402 4.453 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14796226 RLVLTQQCUMHRSS-KBPBESRZSA-N 374.868 4.274 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cccc(C(=O)OC)c1 20112198 RTNBOYPZKNVBQL-IBGZPJMESA-N 363.413 4.423 0 40 FIAB Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)o1 20344806 SLSVVOLNYWGCCP-UHFFFAOYSA-N 374.484 4.444 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN1CCc2ccccc21 22518950 UGUGLKJRSWBUKV-SFHVURJKSA-N 366.505 4.146 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OC)c(OC)c2)cc1 22526051 JUVCTRLKMFZCPD-GOSISDBHSA-N 357.450 4.230 0 40 FIAB COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1OC 22612835 DJXBSWTYJSAFLU-UHFFFAOYSA-N 357.431 4.201 0 40 FIAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc2ncccc2c1 22931765 DRYBZIRPPHXNKA-QFIPXVFZSA-N 360.505 4.116 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCCCOC1CCCCC1 24293657 GKUQONJDTAPFDL-UHFFFAOYSA-N 355.478 4.320 0 40 FIAB C[C@@H](SCCCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 25220524 CLZUSDZKJSVBMY-OAHLLOKOSA-N 357.475 4.151 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1cccc(OC[C@H]2CCCO2)c1 26358541 XUZHBSRLXBDINA-OAHLLOKOSA-N 354.431 4.106 0 40 FIAB CCOc1ccccc1CNC(=O)COc1ccc(Cl)cc1Cl 30869463 LAZWCRJVOVJYSV-UHFFFAOYSA-N 354.233 4.087 0 40 FIAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)cc(Cl)c1OCC 33783001 NUMKKJXDSGMPSP-UHFFFAOYSA-N 362.809 4.177 0 40 FIAB CC[C@@H](NC(=O)CCc1ccccc1O)c1ccc(Br)cc1 36758598 SVDDEADHMLPMLL-MRXNPFEDSA-N 362.267 4.355 0 40 FIAB COc1ccc(N[C@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)cc1 38773128 ZCKDVNRHUXIKSZ-GFCCVEGCSA-N 360.483 4.034 0 40 FIAB CCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)[C@@H](C)c1ccc(F)cc1 40145814 JYSWUIBJCQOYCN-INIZCTEOSA-N 359.489 4.447 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](c1ccccc1)C(C)C 43668708 STRAQFLMJLBWCP-LJQANCHMSA-N 355.438 4.172 0 40 FIAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(F)c(F)c(F)c1F 51387125 CHACVUBOHVIHML-UHFFFAOYSA-N 370.342 4.185 0 40 FIAB O=c1c2ccccc2ncn1CN(Cc1ccccc1)Cc1ccccc1 58162335 KUYHVMAZUAWNCI-UHFFFAOYSA-N 355.441 4.056 0 40 FIAB COc1ccc(N(C)C(=O)c2c(-n3c(C)ccc3C)sc(C)c2C)cn1 65551237 NUBVTDMYCPKRIR-UHFFFAOYSA-N 369.490 4.453 0 40 FIAB CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)c(Cl)c2)cc1 72329173 LBXXUTAPPREVJG-UHFFFAOYSA-N 357.816 4.362 0 40 FIAB Cc1cc2c(cc1CN[C@H](Cc1cccs1)c1nccs1)OCO2 72341753 AFAWVWFYYOYLNJ-OAHLLOKOSA-N 358.488 4.315 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(Cc3ccccc3)C2)n1 72345889 XJXGFDWMBDRXQO-GOSISDBHSA-N 362.452 4.245 0 40 FIAB Cc1n[nH]cc1CNCc1ccc(-c2cccc(Br)c2)s1 75783005 IVIJPOQUCRVFOR-UHFFFAOYSA-N 362.296 4.499 0 40 FIAB Cn1cccc1-c1csc(NC(=O)c2ccc(-c3cnco3)cc2)n1 77495290 XQFUWAVUOHWYQQ-UHFFFAOYSA-N 350.403 4.056 0 40 FIAB CCCCO[C@@H](C)C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 79072222 QDLWTSUAODYELU-WMZOPIPTSA-N 361.507 4.016 0 40 FIAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc3sccc3c2)cc1 79384043 NIQHPHKPMFDUDF-GOSISDBHSA-N 364.470 4.339 0 40 FIAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(Cc1ccco1)c1ccccc1F 84678370 AVJYSVBYARMUFI-VLIAUNLRSA-N 367.376 4.180 0 40 FIAB COc1ccc(Br)c(CO)c1OCc1ccc(Cl)cc1 95095085 ZVNIRUMKBGSBSX-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB COc1ccccc1-n1nc(C)c(Cc2ccc(Br)cc2)c1O 100139202 GCRXKQICIATGNX-UHFFFAOYSA-N 373.250 4.248 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c1 107736768 USJCNCISYFNBLS-UHFFFAOYSA-N 373.909 4.375 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1 222606267 XPYQSDHLYFJANJ-UHFFFAOYSA-N 353.809 4.366 0 40 FIAB O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1ccc(F)cc1 223648319 BSESJSUJCLKHSI-UHFFFAOYSA-N 371.433 4.248 0 40 FIAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)c(Cl)c1Cl 223717755 XYXZALWUSHIFNU-UHFFFAOYSA-N 374.289 4.131 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SC(C)C)s1 225224966 MIWFYEGWUODRAP-CYBMUJFWSA-N 351.497 4.143 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)cc2)S1 260774928 OETLXCHTJOVXMO-XFBWCDHKSA-N 374.307 4.433 0 40 FIAB Cc1ccc2nc(SC(=O)c3cc(Br)ccc3O)[nH]c2c1 408620911 KOHDOZLLJCLZKQ-UHFFFAOYSA-N 363.236 4.272 0 40 FIAB COc1ccc(C(=O)c2c(-c3ccccc3)nnn2Cc2ccccc2)cc1 409082111 RCTMOBTWZXQYFW-UHFFFAOYSA-N 369.424 4.233 0 40 FIAB CCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)c2ccccc21 409119371 SIHSXOAQSROGQN-WJDWOHSUSA-N 353.418 4.010 0 40 FIAB O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1CC1(O)CCCC1 504416554 QTAAVNYXFQSKRE-UHFFFAOYSA-N 360.866 4.084 0 40 FIAB CCOc1ncccc1-c1noc(C2(c3ccc(F)cc3F)CCC2)n1 544446975 BQDMTGWCBQRAMO-UHFFFAOYSA-N 357.360 4.279 0 40 FIAB O=C(NCC[C@@H](CCO)c1cccs1)c1csc(-c2ccccc2)n1 575619390 DOLANRXXAZEHPZ-AWEZNQCLSA-N 372.515 4.158 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)c1nnc(COC[C@@H]2CCCO2)o1 1328230931 FGOVTMLRQOZQQG-KSSFIOAISA-N 354.406 4.058 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1cc2ccccc2s1 1775965443 RFLNJJAQDKONHD-CYBMUJFWSA-N 353.399 4.218 0 40 FIAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1c(F)cccc1Cl 819120 HBLKOSMDHNPOCY-UHFFFAOYSA-N 359.788 4.220 0 40 FIAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1C 847210 YQJZVPOFCJOYRG-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB Cc1csc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)n1 1357878 RHZLFEVYFPDFIE-UHFFFAOYSA-N 364.521 4.112 0 40 FIAB O=C(Cc1ccccc1)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl 1446759 AXEUVVZJFIGQHM-HNNXBMFYSA-N 358.652 4.121 0 40 FIAB Cc1ccc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1 3273038 DDJYTBSCALLQIQ-UHFFFAOYSA-N 373.206 4.165 0 40 FIAB CCOc1ccc2nc(SCC(=O)c3ccc(O)cc3O)sc2c1 3327618 PYLIOOOGLRRQDX-UHFFFAOYSA-N 361.444 4.081 0 40 FIAB CCc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3OC)sc2c1 3336385 LRJVVQDLLJOXDE-UHFFFAOYSA-N 372.446 4.137 0 40 FIAB COc1ccc(Cl)cc1N[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1 3343896 LUBBGBDZKVUTNB-SECBINFHSA-N 363.870 4.437 0 40 FIAB CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C)c(C)c2)cc1 3623688 HZBPDBPQYSPRDM-IBGZPJMESA-N 355.434 4.038 0 40 FIAB Cc1ccccc1C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 3991807 FWWHZOJHURDXOF-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 4074106 CJAOKHQEBDVGKO-AWDMSTLASA-N 354.490 4.330 0 40 FIAB biogenic CCOc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1OCC 4087989 JSYXMFZFWBSXSE-UHFFFAOYSA-N 367.496 4.088 0 40 FIAB COc1ccc2nc(SCC(=O)N[C@H](C)c3ccc(C)c(C)c3)[nH]c2c1 4252183 WYNUUDLOJLZCSM-CQSZACIVSA-N 369.490 4.158 0 40 FIAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)c1nc2ccccc2c(=O)[nH]1 4407022 SRWRCPFFTAAVQN-SECBINFHSA-N 356.838 4.306 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc(F)c2)c1 4585420 LUYOAJBGYKGQPS-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 4680139 KCQFSLDPZHKGJH-GSQFEDNKSA-N 362.558 4.184 0 40 FIAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OC)cc3)C(=O)O2)cc1 4696532 VSMSZIKLEZYNSW-RGEXLXHISA-N 351.402 4.219 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)NCC3CCCCC3)o2)cc1C 4913995 QNSUGQXFOYWKIT-UHFFFAOYSA-N 359.495 4.142 0 40 FIAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2 5245095 VWLUDGDXLFSQJP-UHFFFAOYSA-N 352.434 4.091 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@H](C)[C@@H]3O 5536814 NIDRYBLTWYFCFV-IUUKEHGRSA-N 370.445 4.380 0 40 FIAB biogenic Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)o2)cc1 5863677 PWTVJYSVYRHTJY-AWEZNQCLSA-N 353.447 4.189 0 40 FIAB COc1cc(C(=O)N[C@H]2CCSc3ccccc32)cc(Cl)c1OC 6852213 GEONCPAFWPINHR-AWEZNQCLSA-N 363.866 4.324 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 7306962 LOLAQAPAOAQNKU-OAHLLOKOSA-N 372.515 4.173 0 40 FIAB CCOc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 7508153 HIOMAIVTDODMSL-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7882009 OKKHWFOERPYELA-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 8476299 UFOUCOBTGPGAMU-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB O[C@H](c1ccccc1)c1nc2ccccc2n1CCOc1ccc(F)cc1 8643198 KEXQVBSAXDPVPD-OAQYLSRUSA-N 362.404 4.336 0 40 FIAB CCCc1cc(N2C[C@@H](C)C[C@H](C)C2)n2nc3nc(C)cc(C)c3c2n1 8844003 XZGSBAUJSNZNEN-KBPBESRZSA-N 351.498 4.329 0 40 FIAB C[C@H](Nc1ncnc2sc3c(c12)CC[C@@H](C)C3)[C@H](O)c1ccc(O)cc1 9114086 KWKNZEJEOCTRQA-SOZUMNATSA-N 369.490 4.056 0 40 FIAB Clc1ccc(-n2nnnc2COc2ccc(Cl)cc2Cl)cc1 9135014 MBALQRHSBGFFGX-UHFFFAOYSA-N 355.612 4.202 0 40 FIAB CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccccc3)nnc12 9365724 QOWANPLIBBVGNQ-AWEZNQCLSA-N 364.474 4.308 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)cc1C 9657614 XFSXSFJIHUNZGW-UHFFFAOYSA-N 363.446 4.259 0 40 FIAB Clc1cc(CSc2nnc(NC3CC3)s2)cc2c1OCCCO2 10032507 TXFCLHNDCKZKNM-UHFFFAOYSA-N 369.899 4.219 0 40 FIAB CCOc1ncccc1C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 10237094 QORPWVPXHTUBFT-LLVKDONJSA-N 361.348 4.143 0 40 FIAB Cc1ccc(-c2nnn3c2nc(N2CCC[C@H](C)C2)c2ccccc23)cc1 10433682 GPPRHVFVBSGLFF-INIZCTEOSA-N 357.461 4.489 0 40 FIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c2cnn(C(C)C)c2n1 10966116 NACOERSNQMEWEQ-LBPRGKRZSA-N 358.392 4.090 0 40 FIAB C[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(S(C)(=O)=O)cc1 10968105 VZEYFNHCEGBBAK-OOHWJJMZSA-N 365.539 4.120 0 40 FIAB CCCSC1=Nc2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 12408516 SRGRQTQTJIGYAK-UHFFFAOYSA-N 373.913 4.431 0 40 FIAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 12536107 YVWFYHWGODJMAQ-INIZCTEOSA-N 374.506 4.023 0 40 FIAB COc1ccc(-c2noc(CSc3ccc(F)c(F)c3)n2)cc1OC 12579184 ACZJZUZRUKRFMJ-UHFFFAOYSA-N 364.373 4.324 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 12920503 MIOFWJFOPJEBCI-ZDUSSCGKSA-N 357.431 4.017 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccccc1 12977339 NSERWAQYZMQFKR-INIZCTEOSA-N 363.244 4.237 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(C)cc1 14401878 ACDOAACBWDBBTE-FQEVSTJZSA-N 373.518 4.211 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnc(C(C)C)nc2-c2cccs2)cc1 16311636 LPFYGPLZTZKDMT-UHFFFAOYSA-N 362.462 4.280 0 40 FIAB Cc1cc(NC(=O)/C=C/c2ccncc2)c2cc(Br)ccc2n1 17010460 ANEUNNQITWAAIU-GORDUTHDSA-N 368.234 4.353 0 40 FIAB C[C@H](CC(=O)Nc1ncc(Cc2ccccc2Cl)s1)n1cccn1 19455550 IJSDTAFMKPTYGU-GFCCVEGCSA-N 360.870 4.174 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(C)c1 20460991 MVPUKSANMGATMY-KRWDZBQOSA-N 357.519 4.374 0 40 FIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(Cl)cc1)CO3 20610366 VPRBWEMXTXPBEY-UHFFFAOYSA-N 369.848 4.458 0 40 FIAB biogenic Cn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2ccccc21 20732201 UQZIKPQAUNWOLA-UHFFFAOYSA-N 371.318 4.274 0 40 FIAB COC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2C)c2ccccc12 20897319 DUMMMJMCASDDGP-UHFFFAOYSA-N 356.809 4.028 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1 21596442 ALHVSSZSBGMFQN-UHFFFAOYSA-N 363.280 4.138 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cc(F)ccc1F)O[C@H](C)C2 24021590 JCSCALQERDEDKG-RPTYSRGTSA-N 359.372 4.339 0 40 FIAB CCCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25436398 MMPCDCZVDOBWFC-UHFFFAOYSA-N 368.506 4.012 0 40 FIAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1 26886158 ANDZUNXEGKJPGO-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB O=C(Nc1ccc(OC[C@@H](O)c2ccccc2F)cc1)c1ccccc1 27207258 DHZIVNVEGHJHOF-HXUWFJFHSA-N 351.377 4.190 0 40 FIAB CCN(CC)[C@H](CNC(=O)COc1cccc(C)c1)c1ccccc1Cl 27582311 SQIQAYXAOKGZLS-HXUWFJFHSA-N 374.912 4.227 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(-n2ccc(C)n2)cc1 28219870 NKJPXASRIZVSDP-UHFFFAOYSA-N 356.813 4.487 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 28403606 MBDYYQLCPZDRRE-GOSISDBHSA-N 363.461 4.263 0 40 FIAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(-c2ccccc2)cc1 30757201 OPFWUYUVAJZUJF-UHFFFAOYSA-N 353.425 4.469 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)c3ccccc3)c2)cc1 30835996 AMSWSDLJPQBWGD-UHFFFAOYSA-N 365.454 4.051 0 40 FIAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-c2ccc(F)cc2)s1 32531544 URCJDKSQXKAQRM-HNNXBMFYSA-N 369.417 4.124 0 40 FIAB Cn1c(C(=O)N(Cc2ccco2)Cc2ccco2)cc(Cl)c1Cl 33042268 XXOLVSBOAKFWBG-UHFFFAOYSA-N 353.205 4.361 0 40 FIAB CCOc1cccc(CNC(=O)COc2ccc(Cl)cc2Cl)c1 38753620 UBVMNDBTLPPVHQ-UHFFFAOYSA-N 354.233 4.087 0 40 FIAB COc1ccc(OC)c(CNC(=O)Nc2cc(Cl)ccc2Cl)c1 40095851 YKXCUCPASVOYID-UHFFFAOYSA-N 355.221 4.332 0 40 FIAB CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H](C)c1cccc(OC)c1 40105318 HVZCFNKZQQGFRW-AWEZNQCLSA-N 355.413 4.467 0 40 FIAB O=C(NCCOc1cccc(Cl)c1)c1cc(F)ccc1Br 40108405 XSCFDROBSUAOMG-UHFFFAOYSA-N 372.621 4.050 0 40 FIAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccc[nH]1 48343224 KFQWVQOFKOANIA-QGZVFWFLSA-N 351.475 4.348 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H]2C2CCCC2)c2nc3n(c2n1)CCCCC3 56034697 HMZYCAMBLRTTPX-SFHVURJKSA-N 366.509 4.261 0 40 FIAB O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cncn1-c1ccccc1 58295222 KZYKQKJXHCJSHJ-UHFFFAOYSA-N 374.375 4.451 0 40 FIAB COc1ccccc1S(=O)(=O)N(Cc1ccc(C(C)C)cc1)C1CC1 69454227 ALFUJZGBLZWNJI-UHFFFAOYSA-N 359.491 4.172 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)c1 72350100 QDCSDYOJGGYACP-LJQANCHMSA-N 366.505 4.039 0 40 FIAB CCOc1ccccc1OCCCC(=O)N[C@H](C(C)(C)C)C(F)(F)F 75148408 OXTLFMDCSDUPIK-MRXNPFEDSA-N 361.404 4.338 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CSc1cccc(Br)n1 79440728 NAPCQWPVGXRLGT-LLVKDONJSA-N 373.316 4.336 0 40 FIAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N1CCC[C@H]1C1CCCCC1 84403115 CWXUZNROWUWJOL-FQEVSTJZSA-N 352.482 4.331 0 40 FIAB O=C(Nc1ccc2c(c1)COC2)c1ccn(-c2cccc(C(F)(F)F)c2)n1 91668864 RKBOVODDEDOSIL-UHFFFAOYSA-N 373.334 4.174 0 40 FIAB OC1=Nc2ncn(-c3cccc(Cl)c3)c2[C@H](c2cccnc2)SC1 95475213 IMTOJHXWGSDRCY-INIZCTEOSA-N 356.838 4.345 0 40 FIAB CCCCN(C)C(=O)c1cc(-c2cnc(Nc3ccccc3)nc2)cn1C 96037602 NBOYSLSQMNNROZ-UHFFFAOYSA-N 363.465 4.098 0 40 FIAB CO[C@](C)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F 96123531 CUAITVADNKIOCK-QGZVFWFLSA-N 371.330 4.016 0 40 FIAB CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(C)nn32)cc1 102699205 SYSQCMWMNZHCSR-GOSISDBHSA-N 352.438 4.293 0 40 FIAB O=C(COc1ccc2ccccc2c1)NC[C@H]1CCCN1c1ccccc1 207990306 QRSJBMLSYQMNRJ-OAQYLSRUSA-N 360.457 4.004 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 219044725 HDXMXIBMXUVXHR-ROUUACIJSA-N 363.457 4.499 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219597932 WBCNAHNLNDYIMZ-OALUTQOASA-N 371.477 4.437 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)s1 223448092 DGTFUGSQDHYLOU-MSOLQXFVSA-N 366.515 4.019 0 40 FIAB COc1ccccc1OCCNC(=O)[C@@H](C)Cc1cccc2ccccc12 224942017 YRDDABJUSZOUKC-KRWDZBQOSA-N 363.457 4.222 0 40 FIAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCCC3)cc2)c1 225152111 UOJMGOPMJSCZCT-UHFFFAOYSA-N 350.506 4.337 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)cc1C 225171955 AFPQVRQGIUXURC-CQSZACIVSA-N 353.447 4.228 0 40 FIAB COc1c(C)cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 225569829 AHEWKBFOMRWPEQ-UHFFFAOYSA-N 353.462 4.307 0 40 FIAB CC(C)Oc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 225780536 JAIIECSNNXVEIS-UHFFFAOYSA-N 364.898 4.493 0 40 FIAB CC[C@H](C)Oc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1C(=O)OC 225792535 AOQZTYDZEUOJGE-VBKZILBWSA-N 365.470 4.040 0 40 FIAB COc1cccc(CNC(=S)Nc2ccc(Br)cc2F)c1 225834544 LCZRFJLXHDCRCS-UHFFFAOYSA-N 369.259 4.083 0 40 FIAB Cc1cc(C)nc(Nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)n1 225912508 JKXAFMDOCDWXEN-INIZCTEOSA-N 358.445 4.428 0 40 FIAB COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1 225919057 ODJOQOXTLTVPFD-UHFFFAOYSA-N 361.825 4.039 0 40 FIAB Cc1nc([C@@H]2CCCN2C(=O)Nc2cccnc2-c2csc(C)c2)no1 333742889 RQRMAELNZNDAEZ-HNNXBMFYSA-N 369.450 4.179 0 40 FIAB CC(C)Oc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 408603730 FRRDBTNLYXOZHN-UHFFFAOYSA-N 370.268 4.037 0 40 FIAB O=C(N[C@H](CCO)c1ccc(Cl)cc1)c1cc2ccc(Cl)cc2[nH]1 578463606 IIALQTKIQVULIK-OAHLLOKOSA-N 363.244 4.328 0 40 FIAB Cc1cc(N2CC[C@@H](OCc3csc(C)n3)C2)c2cccc(F)c2n1 585083327 RFNYNROXFBKYIP-OAHLLOKOSA-N 357.454 4.243 0 40 FIAB C[C@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C)c1cscn1 661636081 GBCRBNNFGRSVRM-OZVIIMIRSA-N 365.886 4.029 0 40 FIAB Cc1nccc2c(NS(=O)(=O)c3cc(F)ccc3OC(C)C)cccc12 1264015984 JKYCECJQSBIGOS-UHFFFAOYSA-N 374.437 4.270 0 40 FIAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 793349 AVFFIFMARQBMTD-QHCPKHFHSA-N 359.425 4.057 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2O)o1 852453 PQUDDUNSHWBPMB-ZDUSSCGKSA-N 369.446 4.178 0 40 FIAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1 853064 IBFKTUXGPUONQZ-LIKPIUCQSA-N 351.405 4.083 0 40 FIAB biogenic CC[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)OC(C)C 952364 VGWZVMPXCZTLEU-GFCCVEGCSA-N 350.509 4.392 0 40 FIAB CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccc(O)cc2)C1 2524292 CYSHNJQMYORNJI-CZAYHTPWSA-N 358.478 4.461 0 40 FIAB biogenic Cc1ccc(-c2cc(C(=O)n3nnc4ccccc43)c3ccccc3n2)o1 2736708 INBQPYGNYOVIQU-UHFFFAOYSA-N 354.369 4.236 0 40 FIAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1CCc1c[nH]c2ccccc12 3043395 VAIFJJKIQIBQFV-UHFFFAOYSA-N 355.850 4.436 0 40 FIAB CCOc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1 3326553 UWDFJASJXLZRNM-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)s1 3537720 RQWNWJWDQOSZMF-UHFFFAOYSA-N 357.431 4.156 0 40 FIAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3F)sc1CC2 3651758 BEKCVMYOHPLMTB-UHFFFAOYSA-N 354.406 4.309 0 40 FIAB CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)N1CCCC1)CCCC2 4139622 KGHNLZRJCPAXTR-LJQANCHMSA-N 355.507 4.166 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1cccc(Cl)c1 4305054 QQQILPTVKNWCHH-IBGZPJMESA-N 366.848 4.467 0 40 FIAB Cc1cccc(N2C(=O)[C@@H]3CS[C@H](c4ccc(Cl)cc4)N3C2=O)c1 4698531 FBRCCYHIFXQUIJ-DOTOQJQBSA-N 358.850 4.231 0 40 FIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1 4700365 SUHLNUCJAAQWEM-OALUTQOASA-N 353.418 4.095 0 40 FIAB Cc1ccc2c(c1)[C@H](O)C[C@H](C)N2C(=O)c1ccc(Br)cc1 4742628 SDEWODWVTXANBO-YVEFUNNKSA-N 360.251 4.230 0 40 FIAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cccc2ccccc12 5229883 QOQORQVADQXDNP-AWEZNQCLSA-N 367.832 4.355 0 40 FIAB COc1ccc(Cl)c2sc(NC(=O)CCOc3ccccc3)nc12 5256593 PMWGHSVZSDKKRH-UHFFFAOYSA-N 362.838 4.366 0 40 FIAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N(C)c1ccccc1 5263866 TXVIDCGXRDJLGB-OAHLLOKOSA-N 351.475 4.231 0 40 FIAB Cc1ccccc1Cn1cccc(C(=O)Nc2cccc(Cl)c2)c1=O 5269121 GRUXTAOZLRSDOU-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1nn2c(-c3ccccc3NC(=O)CC(C)C)nnc2c2ccccc12 5324876 FSLWJJUZEORMGA-UHFFFAOYSA-N 359.433 4.238 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 5512643 FIUXBZCDLISGRJ-UHFFFAOYSA-N 364.367 4.440 0 40 FIAB C[C@@H](c1ccc(F)cc1)n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 5690818 XLGXVHZOGUVYEZ-LBPRGKRZSA-N 365.437 4.372 0 40 FIAB COc1ccc(-c2nc(C(=O)NC3CC3)cc3c2[nH]c2ccccc23)cc1 5959568 GWIMPNUXNSZTGC-UHFFFAOYSA-N 357.413 4.284 0 40 FIAB biogenic CCOc1ccc(N2C(=O)S/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 5967547 XPDLBMFYTFUHOC-GZTJUZNOSA-N 371.414 4.040 0 40 FIAB CC(C)Cn1nc(C(=O)Nc2ccc(F)c(Cl)c2)c2ccccc2c1=O 6548336 WFQMSQQQAKGNML-UHFFFAOYSA-N 373.815 4.097 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccccc2C)c(C)c1 6629959 BSSABQDQMMSSDL-UHFFFAOYSA-N 355.507 4.276 0 40 FIAB Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C)c3C)n2)cc1 6767245 JBMVQZCHDJSJEX-QGZVFWFLSA-N 361.445 4.035 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 6779089 DLWAKWSSLWAVNT-SFHVURJKSA-N 374.868 4.050 0 40 FIAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)c1nc2ccccc2c(=O)[nH]1 7130598 REEAVEQNMUQIJA-CYBMUJFWSA-N 362.458 4.177 0 40 FIAB COc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc(OC)c1O 7333510 HIHDGNHQUZJMND-WZUFQYTHSA-N 364.810 4.258 0 40 FIAB Cc1nn(C(=O)C[C@H](C)n2nc(C)c(Br)c2C)c(C)c1Cl 8714505 CXZACRHFHBAGCN-ZETCQYMHSA-N 373.682 4.021 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1cccs1 9226211 CDXLULCMSSAGBY-UHFFFAOYSA-N 354.406 4.070 0 40 FIAB Cc1cc(C)c(OCc2nnnn2-c2cccc(C(F)(F)F)c2)c(C)c1 9341130 FLQGILMOSLUQKX-UHFFFAOYSA-N 362.355 4.185 0 40 FIAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 9350721 SOPSEXMCWPNZRQ-KPKJPENVSA-N 351.431 4.278 0 40 FIAB Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12 10253522 RSPVJUVAXIIPNE-UHFFFAOYSA-N 374.487 4.039 0 40 FIAB COc1ccccc1-n1cnnc1SCc1ccccc1OC(F)F 10645873 QOOMGRWFYVIZMW-UHFFFAOYSA-N 363.389 4.170 0 40 FIAB O=S(=O)(N[C@@H](c1cccs1)C1CC1)c1c(Cl)cccc1Cl 10683153 KRYARFXJUKFJCP-CYBMUJFWSA-N 362.303 4.485 0 40 FIAB Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(O)c1 10751663 VEHDSHBHUAILQL-UHFFFAOYSA-N 352.912 4.433 0 40 FIAB CCn1nccc1C(=O)Nc1nc(-c2cc3cc(OC)ccc3o2)cs1 11696004 GRCCMAQSPQLGPN-UHFFFAOYSA-N 368.418 4.034 0 40 FIAB CCn1/c(=N\C(=O)c2ccc(C(C)=O)cc2)sc2cc(Cl)ccc21 12180826 OXXBYABIMDYBKL-CZIZESTLSA-N 358.850 4.320 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3)c12 12800080 CLWMSVJDYIVUGQ-UHFFFAOYSA-N 372.222 4.423 0 40 FIAB COc1ccc(NC(=O)CCCc2nc3ccccc3s2)cc1OC 12845315 CWBSPUHCZCAOSA-UHFFFAOYSA-N 356.447 4.275 0 40 FIAB CCc1cccc(N2C[C@H](C(=O)Nc3ccc(F)cc3Cl)CC2=O)c1 12852259 NAXMNKTVPXWIGV-CYBMUJFWSA-N 360.816 4.033 0 40 FIAB CC(=O)c1csc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1 12875887 YGTAMRURNRDLBJ-MRVPVSSYSA-N 359.234 4.059 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1ccc(C)cc1C)O[C@@H](C)C2 12875909 KXHWAMTZQHPUQF-HNNXBMFYSA-N 355.434 4.043 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12976431 HDWUKPQFZRIGIG-JNCPLXCYSA-N 366.505 4.141 0 40 FIAB Cc1ccccc1OCC[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 13001077 DLXYTMXBHSCEGL-RUZDIDTESA-N 359.422 4.117 0 40 FIAB Cc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccc(C(C)C)cc3)nc2n1 13126034 OEIYEETXSDPKFT-UHFFFAOYSA-N 367.474 4.033 0 40 FIAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 13801204 LOXAVPGXXWVKKH-YALNPMBYSA-N 372.262 4.097 0 40 FIAB CC(C)Nc1nnc(SCc2nc(-c3ccccc3Cl)no2)s1 14123176 LMLJJYVNAUNPJZ-UHFFFAOYSA-N 367.887 4.354 0 40 FIAB Cc1ccc([C@H](C)NC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1C 14251460 HETBZYCGAWESIC-KRWDZBQOSA-N 354.469 4.284 0 40 FIAB Cn1c(COc2ccc(F)cc2)nnc1SCc1cccc(Cl)c1 17074836 VSYZAJFMJRYSGN-UHFFFAOYSA-N 363.845 4.479 0 40 FIAB CCOc1ccccc1-c1nnc(NC(=O)c2cc(Cl)ccc2OC)o1 19927159 SCEWKWGVNWXMNR-UHFFFAOYSA-N 373.796 4.050 0 40 FIAB CCCNC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20595242 ORMBYKQAMVSNCG-MRXNPFEDSA-N 370.840 4.189 0 40 FIAB C[C@@H]1CN(CCCOC(=O)Nc2ccc(Cl)cc2)CCN1C(C)(C)C 22584721 ADBGGFMEKSYLLE-OAHLLOKOSA-N 367.921 4.083 0 40 FIAB C[C@H](NCCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C 22950397 OQLPSYJNZRYLOQ-YDOVHBDFSA-N 370.581 4.404 0 40 FIAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)[C@@H]1C[C@@H]1c1ccccc1 28245934 OFQKQDQIDHUMIR-FGZHOGPDSA-N 364.489 4.294 0 40 FIAB Cc1c([C@H](C)NC(=O)C2CCC2)cnn1-c1cccc(C(F)(F)F)c1 29292643 FJFNKRAIRTXMKD-NSHDSACASA-N 351.372 4.177 0 40 FIAB Cc1ccc(C)c(NC(=O)COc2ccc(C(C)C)cc2-n2cnnc2)c1 32646863 LZQSAOUVGHEUQM-UHFFFAOYSA-N 364.449 4.025 0 40 FIAB CCOc1ccc2oc(C(=O)N[C@@H](CN(C)C)c3ccccc3)c(C)c2c1 32781254 NVBJTASWRPVTJU-IBGZPJMESA-N 366.461 4.173 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3cccc(Cl)c3)n2)cc1 36859418 HJPLAZJODRZEBO-UHFFFAOYSA-N 374.849 4.490 0 40 FIAB Cn1ccnc1-c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 40146444 PVWQZSSAOBBWPA-UHFFFAOYSA-N 363.461 4.402 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(F)c2)c(OC)c1 40268261 WDOBFHGDXFPXQD-INIZCTEOSA-N 367.380 4.152 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)NCc2ccc(Cl)cc2Cl)c1 43990080 JNJCMVPMJOOMDT-UHFFFAOYSA-N 366.248 4.017 0 40 FIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 44088052 FEEZZDWNOLYNCM-CYBMUJFWSA-N 355.413 4.399 0 40 FIAB O=c1ccc(-c2ccccc2Cl)nn1[C@@H]1CCc2ccccc2N=C1O 44918610 MZUCUTQYYSEVBI-GOSISDBHSA-N 365.820 4.339 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 44920354 PRHYOSQWKWXDLP-UHFFFAOYSA-N 358.323 4.244 0 40 FIAB COc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1OC1CCCC1 48251993 YXMYBERFZORDNP-UHFFFAOYSA-N 365.433 4.225 0 40 FIAB CS(=O)(=O)CCSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 49908284 KCKLKCDMYZEFNS-UHFFFAOYSA-N 370.546 4.003 0 40 FIAB CC1(C)CC[C@H](NC(=O)NCc2cn3ccsc3n2)c2ccccc21 57635316 HITWTQWBNSXZML-INIZCTEOSA-N 354.479 4.008 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Nc1cccc(OC(F)(F)F)c1 57727643 KROZHGXZMBXNMU-QWHCGFSZSA-N 364.367 4.363 0 40 FIAB Cc1ccccc1-c1noc(CN2CCN(c3ccccc3Cl)CC2)n1 58020059 MTHCZAQTQWFZLL-UHFFFAOYSA-N 368.868 4.021 0 40 FIAB O=C(Nc1nnc(C(F)F)s1)c1cc2c(s1)-c1ccccc1OC2 58406815 QPBMQXFXSATJJI-UHFFFAOYSA-N 365.386 4.349 0 40 FIAB Cc1cccc(Oc2ccc(NC(=O)c3ccc(C(N)=O)s3)cc2)c1 60331605 UROFWWNBTVINNK-UHFFFAOYSA-N 352.415 4.200 0 40 FIAB CCCn1c(SC(c2ccc(F)cc2)c2ccc(F)cc2)n[nH]c1=O 68913500 TXJPYUPCWUPNSS-UHFFFAOYSA-N 361.417 4.141 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)Nc3cccc(C)c3)n2)cc1 72264887 IDWFJXLREQODOB-UHFFFAOYSA-N 367.474 4.491 0 40 FIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cccc(Br)c2)C1 72406090 CAYLZMUCQMOCIJ-AWEZNQCLSA-N 372.222 4.411 0 40 FIAB Fc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 80346436 CRKCORNBLFDSOD-UHFFFAOYSA-N 354.454 4.460 0 40 FIAB O=C(NCCc1ccoc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 90607406 WZSRBPVETZMTIF-UHFFFAOYSA-N 351.246 4.290 0 40 FIAB CO[C@H](C)c1cccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 95402776 GTCXZNIJGBHSSQ-DYESRHJHSA-N 352.478 4.387 0 40 FIAB c1ccc(CCc2ccnc(NCc3ccc(-n4cncn4)cc3)c2)cc1 95971860 NVVLNMGPSSQXFA-UHFFFAOYSA-N 355.445 4.060 0 40 FIAB CC[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)c2cccc(Cl)c2O1 96009839 HOCPAAWAIJQCNB-CQSZACIVSA-N 359.857 4.469 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3C)s1 96061335 VIVRIEMPWHCNKR-IBGZPJMESA-N 354.519 4.037 0 40 FIAB Fc1c(F)c(Br)c(Br)c(Br)c1F 96171681 DEHWOCPDZUGSMU-UHFFFAOYSA-N 368.772 4.391 0 40 FIAB O=C(NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1Cl 100419662 DDNZZZOPARXLEL-ROUUACIJSA-N 354.881 4.265 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102123952 TXZJCTHXXPCYDM-RGCMKSIDSA-N 374.550 4.373 0 40 FIAB Cc1ccc(COC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 104482923 QGFSAXFYRPBXJO-UHFFFAOYSA-N 369.486 4.067 0 40 FIAB CC(C)N1CC[C@@H](CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)C1 106155719 YOHOPAYBOFSSOZ-RXVVDRJESA-N 368.546 4.367 0 40 FIAB C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 106250947 IXJYUSQPYPXCIX-SFHVURJKSA-N 363.501 4.491 0 40 FIAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C)c(C)c1 219205184 RNGZROXTMSFERU-HXUWFJFHSA-N 350.462 4.311 0 40 FIAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346578 BLTFYAQASSFZCT-NRFANRHFSA-N 366.505 4.329 0 40 FIAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 223374795 FZVWEXMGKRWMID-LBPRGKRZSA-N 359.297 4.037 0 40 FIAB COc1ncccc1NC(=S)NCC1(c2ccccc2)CCCCC1 223992250 YHVZWUZLNNGMSQ-UHFFFAOYSA-N 355.507 4.279 0 40 FIAB COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2F)c1 224101071 ZFUDGQVDIAQSEK-UHFFFAOYSA-N 367.829 4.138 0 40 FIAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 224228236 YLTDOWDCHNLHJV-NSHDSACASA-N 374.289 4.183 0 40 FIAB Cc1cccc(CN2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)c1 224528854 WDDFGBUICYWDOO-IBGZPJMESA-N 350.506 4.127 0 40 FIAB C[C@@H](CNC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 224532753 CFJWAPWDCQSDFX-KRWDZBQOSA-N 370.924 4.472 0 40 FIAB CCOc1cc(CNC(=O)COc2cc(C)ccc2C(C)C)ccc1OC 225314443 SGBCYUPVXQOWKW-UHFFFAOYSA-N 371.477 4.221 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1cccc(Cl)c1 408706128 VQGHLXSMNFFRBP-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB CCc1ccccc1NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408708683 KQDLYKAAFGGYSO-UHFFFAOYSA-N 372.468 4.136 0 40 FIAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(C(=O)O)c3)o2)cc1 409205727 SRDXMJFZTZIZSI-UHFFFAOYSA-N 351.358 4.118 0 40 FIAB CC1=C(C)C[C@H]2C(=O)N(CCOc3cc(C)ccc3C(C)(C)C)C(=O)[C@H]2C1 409379191 VOPRDSAVQKACCE-HDICACEKSA-N 369.505 4.403 0 40 FIAB O=c1[nH]c(Cc2cccc(O)c2)nc2cc(-c3ccc(F)cc3)sc12 583476238 AEWDXUOBEILVSF-UHFFFAOYSA-N 352.390 4.087 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1ncn2ccsc12 585182432 SVYZICCWYFOURP-QGZVFWFLSA-N 364.474 4.173 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1cc2ccccc2[nH]1 675008241 LEABDMMSIJGSNS-INIZCTEOSA-N 368.483 4.421 0 40 FIAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccs1 799485 JNROUVRLSVHVDF-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB O=S(=O)(c1ccc(F)cc1)N1c2ccccc2CCc2ccccc21 855413 RMHRQXPKAUNGLW-UHFFFAOYSA-N 353.418 4.451 0 40 FIAB Clc1ccc(CSc2ncnc3c2ncn3[C@@H]2CCCCO2)cc1 2047131 OCKAZLMFYPPBPL-AWEZNQCLSA-N 360.870 4.471 0 40 FIAB in-vitro Cc1ccc(CN2C(=O)[C@@](O)(c3c[nH]c4ccccc34)c3ccccc32)cc1 2227339 WVMPDUKKWUPZKN-DEOSSOPVSA-N 368.436 4.259 0 40 FIAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 2359411 DQDHFQWTEMZNGG-UHFFFAOYSA-N 350.369 4.188 0 40 FIAB O=S(=O)(CC(O)(c1ccccc1)c1ccccc1)c1ccccc1Cl 3051022 LXHFESUDBRYOGA-UHFFFAOYSA-N 372.873 4.050 0 40 FIAB CCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3231737 FVERALQHVDORRL-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCCC2 3267526 IXQMQVOTRDUHJD-ZHACJKMWSA-N 359.447 4.439 0 40 FIAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 3447118 KKFQMPVOXXJMJE-UHFFFAOYSA-N 370.449 4.232 0 40 FIAB CN(CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(Cl)cc1 3585378 FKISTZTYKSHXMH-UHFFFAOYSA-N 356.775 4.429 0 40 FIAB Cc1cc(C)n(-c2cnc3c(-c4ccccn4)cnn3c2-c2ccccc2)n1 4053871 UTRZJRNAXAJSLK-UHFFFAOYSA-N 366.428 4.261 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1 4224218 QUDGIZVUZYYZNI-UHFFFAOYSA-N 368.443 4.117 0 40 FIAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)c2ccccc2n1 4240470 LYHYMKJCBWDTSJ-SNVBAGLBSA-N 358.854 4.106 0 40 FIAB CCOc1ccccc1NC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 4315734 RITLDQSXHFRNSA-UHFFFAOYSA-N 370.840 4.189 0 40 FIAB CSc1ccccc1NC(=O)COC(=O)c1ccc(OCC(C)C)cc1 4332898 KIJQPLVVUNVOSP-UHFFFAOYSA-N 373.474 4.239 0 40 FIAB Cc1cccc(NC(=O)CSc2ccc(-c3sc(C)nc3C)nn2)c1 4392163 MOKJJOMFSVOUON-UHFFFAOYSA-N 370.503 4.256 0 40 FIAB Cc1cc2n(n1)[C@H](c1cc(=O)n3c4c(cccc14)CCC3)Nc1ccccc1-2 4707185 FFGMLWWNEHCOAG-HSZRJFAPSA-N 368.440 4.092 0 40 FIAB CCc1cccc(-n2c(C)nc3c(cnn3-c3ccccc3Cl)c2=O)c1 4971939 WFVFQYWSPNFNDU-UHFFFAOYSA-N 364.836 4.096 0 40 FIAB CCOc1ccc(NC(=O)C[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 5199501 GKKSAIQPBBCBQK-AWEZNQCLSA-N 361.825 4.011 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCSc2ccc(F)cc2)c1 5363950 RTKXHOIZTXWBEI-AWEZNQCLSA-N 361.438 4.187 0 40 FIAB Nc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)s1 5636768 HDCSMZVMHZWTJG-UHFFFAOYSA-N 374.516 4.002 0 40 FIAB O=C1CCc2cc(-c3csc(NC(=O)c4ccccc4F)n3)ccc2N1 7036904 OSOSPKMRZDMVOG-UHFFFAOYSA-N 367.405 4.086 0 40 FIAB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3Cl)[nH]2)cc1 7605110 HVYQYFJXAOFEGS-UHFFFAOYSA-N 358.854 4.376 0 40 FIAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 7928674 WRJWNKMZFLKRNU-DLBZAZTESA-N 351.446 4.467 0 40 FIAB CC(C)c1cccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 8116547 LADFJBAJOGXDNN-UHFFFAOYSA-N 365.260 4.485 0 40 FIAB C[C@H]1C[C@H](Sc2nc(C3CCCCC3)n(-c3ccccc3)n2)C(=O)O1 8271436 ASUVOWMTWCNDPO-BBRMVZONSA-N 357.479 4.111 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(OC)cc1 8517784 IVQVJMLADSSSKJ-HXUWFJFHSA-N 355.459 4.278 0 40 FIAB Cc1ccc(C(=O)N(C)c2ccccc2C(=O)NCCc2ccccc2)cc1 8549933 XNAYOYKZXLQDMS-UHFFFAOYSA-N 372.468 4.244 0 40 FIAB Cc1ccc(Nc2nc(COC(=O)Cc3c(C)noc3C)cs2)cc1C 9219099 SAAQIESLIXVEFG-UHFFFAOYSA-N 371.462 4.394 0 40 FIAB COc1cc(C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 9315139 PZVZCYHSWPIPFG-UHFFFAOYSA-N 373.493 4.001 0 40 FIAB CC(C)c1nc(SCC(=O)N2[C@H](C)CCC[C@H]2C)nn1-c1ccccc1 9723136 FWQDLPFWOJRSAK-HZPDHXFCSA-N 372.538 4.272 0 40 FIAB COc1cccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(C)cc2)c1 10254502 KYNPAPRTQCCSAM-UHFFFAOYSA-N 352.434 4.256 0 40 FIAB CCOc1ccccc1/C=C/C(=O)Nc1cc(OC)c(OC)cc1Cl 10589948 BTSQJOBSWNECPC-MDZDMXLPSA-N 361.825 4.408 0 40 FIAB C[C@@H](Sc1nc(C2CC2)n[nH]1)C(=O)Nc1cccc(Cl)c1Cl 11470338 GYINAOMAJDJPNA-SSDOTTSWSA-N 357.266 4.108 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(c2ccccc2)CC1 11764053 LUOIQENSMQGCRM-UHFFFAOYSA-N 365.864 4.159 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)Cc2ccc(Cl)cc2)cc1 12062755 AQZBRIROGPUUIS-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB COc1cccc(CN2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)c1 12184517 ZOGFQBPDJRLDFD-MRXNPFEDSA-N 372.852 4.094 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2cnc(-c3ccccc3F)s2)c1 12321539 SGUNFWCQVCNKKV-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB O=C(c1ccc(Cl)nc1Cl)N1CCc2[nH]c3ccc(F)cc3c2C1 12323008 VDLFBEQVOKZMIQ-UHFFFAOYSA-N 364.207 4.207 0 40 FIAB COc1cccc(-n2ccnc2SCCC(=O)Nc2ccccc2F)c1 12520522 VOZPGZGVRHBNRN-UHFFFAOYSA-N 371.437 4.141 0 40 FIAB CCCCn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12541163 KIDLYXSPDAJKLH-KRWDZBQOSA-N 365.452 4.492 0 40 FIAB Cc1nc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2nc1C 12608313 OXEXDZZECSCNOU-UHFFFAOYSA-N 360.461 4.489 0 40 FIAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2cccc(Cl)c2)cc1 12619952 JKCZVBOBCFHLGQ-UHFFFAOYSA-N 358.850 4.177 0 40 FIAB Cc1ccc2nc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)sc2c1 12755978 CIOBYRYTMQAYDF-CQSZACIVSA-N 365.458 4.134 0 40 FIAB Cc1ccccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12872694 KKDKDFFPZNEQJZ-ZTLYHTANSA-N 366.505 4.141 0 40 FIAB Cc1cc(NC(=O)Cc2c(F)cccc2Cl)n(Cc2ccccc2)n1 13003790 LDXPTMQCKRXZCQ-UHFFFAOYSA-N 357.816 4.214 0 40 FIAB O=C(NCCC1CCCCCC1)c1ccc(I)cc1 13672462 CPKRLOJLPDAXAP-UHFFFAOYSA-N 371.262 4.382 0 40 FIAB O=C(CNc1cccc2c1CCCC2)Nc1ccccc1Br 15123183 CJTSEWVWCCFHFP-UHFFFAOYSA-N 359.267 4.379 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c2cccnc12 15840669 DLSJCYCKBBSWAL-GFCCVEGCSA-N 356.809 4.303 0 40 FIAB CNc1snc(C)c1C(=O)OCc1csc(-c2ccc(C)cc2)n1 16552032 ZPBSXMPPFLFPEK-UHFFFAOYSA-N 359.476 4.282 0 40 FIAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)cc1 16967336 NUZUXJBIWRRMRN-FQEVSTJZSA-N 365.477 4.408 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1Oc1ccccc1 17855825 CJXFISINIZRRJC-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB Fc1ccc2[nH]c3c(c2c1)CCN1[C@@H](c2ccccc2F)N2CCC31CC2 19330987 NSVVUYZGDAKGGK-NRFANRHFSA-N 365.427 4.308 0 40 FIAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19345303 LQNRLUMTRYVNGN-CYBMUJFWSA-N 362.408 4.203 0 40 FIAB Cc1cccc(-c2noc(CCC(=O)N3CCc4cc(Cl)ccc43)n2)c1 19656245 NBJSQSIPCNNRLH-UHFFFAOYSA-N 367.836 4.220 0 40 FIAB O=C1OCCN(Cc2ccccc2)c2c1cnc1c(C(F)(F)F)cccc21 19794105 MFBXMWLNMWFYRT-UHFFFAOYSA-N 372.346 4.431 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1 20110680 VMCFCWVMVNSXAQ-IZZDOVSWSA-N 351.837 4.164 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)ccc1Cl 20144275 CXVAGSXXBHNMHA-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1Cl 20483748 HBDVLXBJJDXNDU-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(C)c(C)c3)n2)s1 21806049 IKJSNZNLNQIYRL-UHFFFAOYSA-N 359.476 4.209 0 40 FIAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cc(-c2ccccc2)no1 22609886 MJVIRSKIOHMIGF-MRXNPFEDSA-N 359.433 4.115 0 40 FIAB CC(C)n1ncc2c(C(=O)N3CCCc4ccccc43)cc(C3CC3)nc21 23118141 YKDJSWMYGWPOQI-UHFFFAOYSA-N 360.461 4.483 0 40 FIAB O=C(N[C@@H]1CCc2ccccc21)c1cccnc1SCC(F)(F)F 24755813 XHWZWTXIRAEPJX-CQSZACIVSA-N 352.381 4.153 0 40 FIAB C[C@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)C1CC1 27189294 XGPFCGLBZDBFQG-VLURKWGBSA-N 366.848 4.256 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccc2ccccc2c1 30397646 IOXRXTKBAHGXDZ-HNAYVOBHSA-N 368.477 4.417 0 40 FIAB Cc1[nH]c2ccc(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cc2c1C 31176372 WUJGSKSWACQIFZ-HXUWFJFHSA-N 352.409 4.138 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)c1 32647718 KCDBJNCEDCBTQJ-UHFFFAOYSA-N 368.824 4.431 0 40 FIAB Cc1ccc(-c2nc(CC(=O)NCc3nc4ccccc4s3)cs2)o1 32816141 GRYKGAJEQIOVEP-UHFFFAOYSA-N 369.471 4.180 0 40 FIAB O=C(c1cccc(Br)c1)N(Cc1cccnc1)Cc1ccco1 32906963 XNGRFHSVOLBCRV-UHFFFAOYSA-N 371.234 4.280 0 40 FIAB O=C(Nc1ccccc1NC(=O)c1cc2ccccc2o1)c1ccccn1 38490118 ZKOXZBNAUOAEAO-UHFFFAOYSA-N 357.369 4.332 0 40 FIAB Cc1ccc(C2=NC(=C(Cl)Cl)n3c(nc4ccccc43)CN2)cc1 41097478 QIAFAGCWZVYRJB-UHFFFAOYSA-N 357.244 4.456 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1cccc2ccccc12)c1cccs1 45727709 MWSIBXVBWQKNOL-LIRRHRJNSA-N 366.486 4.346 0 40 FIAB C[C@H]1COCCN1C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 46256521 KYWSPEQIVJPJNA-HNNXBMFYSA-N 366.436 4.154 0 40 FIAB O=C(Nc1ccc2ccccc2n1)c1ccc(NC(=O)c2ccccn2)cc1 46901569 RVFYZVGLQGDIHB-UHFFFAOYSA-N 368.396 4.134 0 40 FIAB CCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 51787006 CTIXHCRITRAWEH-UHFFFAOYSA-N 370.268 4.039 0 40 FIAB c1csc(Cc2n[nH]c(SCCCc3nc4ccccc4o3)n2)c1 58166800 XYFVMWKEVIYHJG-UHFFFAOYSA-N 356.476 4.323 0 40 FIAB C[C@H](NCc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1 58167713 AANHVDONNHAFFC-NSHDSACASA-N 356.775 4.476 0 40 FIAB Cc1nc2cc(C3CCOCC3)nn2c(NCCc2ccc(F)cc2)c1C 72336875 KHGHKNRJIBVCBR-UHFFFAOYSA-N 368.456 4.034 0 40 FIAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72349160 LYSOVIJKVWEKNW-OAQYLSRUSA-N 371.484 4.396 0 40 FIAB CN(c1ccccc1)c1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)cn1 76970157 MXTXQWMVIUENMT-HXUWFJFHSA-N 372.472 4.176 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 78535730 SOJSQJNTHDWJKK-OAHLLOKOSA-N 366.461 4.303 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(Cl)nc1Cl 84392852 SJCZZVNJTRHWOX-HIFRSBDPSA-N 369.223 4.178 0 40 FIAB COc1ccccc1C1=N/C(=C/C2=Cc3cc(Cl)ccc3OC2)C(=O)O1 96935659 WEWUFLJCWZSHAZ-CXUHLZMHSA-N 367.788 4.012 0 40 FIAB O=C(NC[C@H]1CCOc2ccccc21)N[C@@H]1CCOc2c(Cl)cccc21 108886847 VFOVMCHNJGRFSB-CXAGYDPISA-N 372.852 4.029 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3)o2)cc1 109417952 GZCZIJMVILFOJM-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 222864633 ILQUZEDYJPOXCI-OALUTQOASA-N 354.523 4.217 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccccc1F 222982097 KKBRVEUTAGTVMV-UHFFFAOYSA-N 373.493 4.133 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1cc(C)ccc1C 224024426 ZCESLLKALVRPLC-QGZVFWFLSA-N 361.869 4.309 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1Cl 224421284 OQNHMSOMPXYUIG-HNNXBMFYSA-N 361.869 4.426 0 40 FIAB CC(C)(C)c1ccc(-c2noc(CNC(=O)Cc3ccccc3F)n2)cc1 225451867 IEQFFVGQZZZVLU-UHFFFAOYSA-N 367.424 4.032 0 40 FIAB CC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 257199926 ABHFJVPRGIPESK-UHFFFAOYSA-N 366.505 4.216 0 40 FIAB NC[C@H]1CC[C@H]([C@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 257217186 CXXNKXDSYMRXMQ-QYWGDWMGSA-N 363.461 4.064 0 40 FIAB CC(C)CCC[C@@]1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCNC[C@H]3C[C@H]21 257305951 SSFQEMVRYOWJBR-XUKPVSMISA-N 359.510 4.425 0 40 FIAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1OC 408561785 LHENYYNFBNCQTC-XDOYNYLZSA-N 370.449 4.434 0 40 FIAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/C=C/c2ccccc2)S1 408814413 ZDYULNCCOFWARK-UHFFFAOYSA-N 351.451 4.323 0 40 FIAB O=C(/C=C/c1ccccc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 618255918 KSWALLOHFMARBJ-KUCQQTCKSA-N 355.484 4.340 0 40 FIAB Cc1nn(-c2ccccc2)c2nc3c(c(N)c12)C(=O)C[C@@H](c1ccccc1)C3 618257131 RWJWYIMMILDWLM-INIZCTEOSA-N 368.440 4.224 0 40 FIAB CC(C)c1nnc(Cn2cc(Br)c(-c3ccccc3)n2)s1 629379103 ATQSGUNXQDOZME-UHFFFAOYSA-N 363.284 4.336 0 40 FIAB OC[C@H](Cc1c[nH]c2ccccc12)N[C@H]1CCCc2c1[nH]c1ccccc21 675748013 YSYYMXQAOXHKJH-AOMKIAJQSA-N 359.473 4.220 0 40 FIAB O=C(c1cccn1-c1c(Cl)cccc1Cl)N1Cc2ccncc2C1 1640262421 HUVUJHHKJULXDT-UHFFFAOYSA-N 358.228 4.335 0 40 FIAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCC[C@H]4C)cc1 1240602 LRIJHZUSNZPKFF-GFCCVEGCSA-N 364.474 4.152 0 40 FIAB Cc1ccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 1358301 ALLZJSJBJOSAEM-HNNXBMFYSA-N 350.491 4.448 0 40 FIAB C[C@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccc(F)cc1 1924311 KTONGKUUUNUJOZ-LBPRGKRZSA-N 366.421 4.141 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1cc(Cl)ccc1Cl)CC2 2359905 LHXBVEPXOIBCBS-UHFFFAOYSA-N 366.244 4.209 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2)cc1 3261148 XSHRRVLAPQDXJE-OAHLLOKOSA-N 361.397 4.226 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)C(C)(C)C)cc12 3315333 JGEBNCMZNOJKRG-UHFFFAOYSA-N 356.447 4.167 0 40 FIAB CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CNCc2ccco2)cc1 3418314 LDVYYFWQSZETHU-HXUWFJFHSA-N 365.473 4.135 0 40 FIAB Cc1nn(Cc2ccccc2)c(=O)n1-c1ccc(Oc2ccccc2)cc1 4088820 WYHGCSPVVRKHMB-UHFFFAOYSA-N 357.413 4.183 0 40 FIAB COc1ccccc1Nc1nc(Nc2ccc(C)cc2C)c2cnn(C)c2n1 4272727 DNCMDKWECCWABH-UHFFFAOYSA-N 374.448 4.476 0 40 FIAB COc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 4278957 FLKWRWAZHUDFRU-UHFFFAOYSA-N 370.426 4.042 0 40 FIAB Fc1ccc(-n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)cc1Cl 4625894 MLQIKUHXOICXJS-UHFFFAOYSA-N 371.828 4.406 0 40 FIAB Cc1ccc(OCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 4740686 JPAYVVJHBSJMJP-UHFFFAOYSA-N 360.409 4.467 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1 4880710 GWHUUGGCQKKIFH-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB O=C(C1=NN[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1)c1ccccc1 5004964 QXKMCRAEMKBFGP-WOJBJXKFSA-N 354.409 4.069 0 40 FIAB Cc1ccc(Cn2c(=O)n3nc(-c4ccccc4)nc3c3ccccc32)cc1 5035636 QHCZQTDCUYITRZ-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 5972353 CWCUOERQIQVNGQ-KRWDZBQOSA-N 370.518 4.259 0 40 FIAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccccc2)cc1 6630416 JRELZEHJTOEIDS-UHFFFAOYSA-N 360.413 4.105 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)c1 6639456 MYDAUUKYMNDDFM-UHFFFAOYSA-N 365.385 4.419 0 40 FIAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1)c1ccco1 6753063 SLZAHMAPWCQZBY-UHFFFAOYSA-N 359.429 4.040 0 40 FIAB CC(=O)c1cccc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)c1 6789200 GJOHKDPXPNIIHT-VOTSOKGWSA-N 371.820 4.356 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 6967606 BJGGKUZTFALEPH-UHFFFAOYSA-N 355.394 4.160 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2F)c1C 7527076 XDKBDZBHQVFIED-LLVKDONJSA-N 365.788 4.055 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1 7624405 YBTKYRHPTZFHRJ-PBHICJAKSA-N 355.507 4.239 0 40 FIAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 7688567 ZUZDLENCUUTOEP-UHFFFAOYSA-N 360.385 4.414 0 40 FIAB CCOc1ccc(OCCOC(=O)c2cc(C)nc3ccccc23)cc1 8038148 WRSRSRUCNNAKSN-UHFFFAOYSA-N 351.402 4.178 0 40 FIAB O=C(NCCOc1ccccc1F)c1cc(C2CC2)nc2ccccc12 8232035 IQEUYXLALOYRJJ-UHFFFAOYSA-N 350.393 4.060 0 40 FIAB Cc1cc(NC(=O)CN2CCC[C@H]2c2cccs2)n(-c2ccccc2)n1 8324733 OWQHBYQNFBOIPZ-KRWDZBQOSA-N 366.490 4.018 0 40 FIAB COc1ccc(-c2nnc3sc(Cc4cccc(Cl)c4)nn23)cc1 8715084 BJZUNCGQOZBJFH-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB COc1ccc(/C=C/c2noc(C)c2NC(=O)Cc2ccsc2)cc1 8753297 HQLURIFZBNHNGU-VMPITWQZSA-N 354.431 4.405 0 40 FIAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 9134402 KUNCZMABGTWTDF-UHFFFAOYSA-N 374.396 4.330 0 40 FIAB CC(=O)c1ccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 9305266 ICLLCKWHWCUOPB-UHFFFAOYSA-N 364.792 4.440 0 40 FIAB CSc1ncc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)n1-c1ccccc1 9367202 ODKZDALKIFJDGT-HOTGVXAUSA-N 355.507 4.247 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1 10333083 XDKUERCDAXDVCQ-MRXNPFEDSA-N 352.478 4.349 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)OCc1cc(-c2ccc(F)cc2F)on1 11613683 UKQLZHQKQSGJAK-LBPRGKRZSA-N 359.328 4.131 0 40 FIAB Cc1cc(C(F)(F)F)c2c(NCc3ccnc4ccccc34)n[nH]c2n1 12115920 PXEYQYVJPKCXIU-UHFFFAOYSA-N 357.339 4.445 0 40 FIAB CCn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 12344641 WOOKRCHAWVUMGO-UHFFFAOYSA-N 364.489 4.153 0 40 FIAB CCc1ccc2c(CC(=O)N[C@H](c3ccccc3)c3nccn3C)coc2c1 12520299 NLRQXTOCTCGDDP-JOCHJYFZSA-N 373.456 4.177 0 40 FIAB CC(C)(C)c1cc(CCC(=O)NC[C@@H]2CCCO2)cc(C(C)(C)C)c1O 12755195 JBNHKITUQCVCPV-INIZCTEOSA-N 361.526 4.215 0 40 FIAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCCC1=CCCCC1 12878243 KGIIKRWDKGVPBM-MRXNPFEDSA-N 364.898 4.150 0 40 FIAB COc1ccc(NC(=O)CSc2nncc3ccccc23)cc1Cl 12948735 PNSIQFDPPLTRHX-UHFFFAOYSA-N 359.838 4.023 0 40 FIAB CCc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1 14196801 BGGSOPZCYHSSEE-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB COc1cc(OC)cc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)c1 15084572 FQCYWKMGZYECIE-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB Clc1cccc2c(-c3nnnn3-c3ccc(Br)cc3)c[nH]c12 16430955 OLLYLRCKTAFHOH-UHFFFAOYSA-N 374.629 4.227 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCc2cccnc2)cc1 19557500 LFULXXCPPKFVOV-MQFRRQCYSA-N 364.489 4.111 0 40 FIAB CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)s1 19796578 CMDSSAHCEABXLD-SNVBAGLBSA-N 373.478 4.213 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC 22519658 UOTVJYWNELFXED-HOTGVXAUSA-N 371.477 4.472 0 40 FIAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCc2ccccc21 26111114 ZNOKCKCJCINGDW-UHFFFAOYSA-N 356.274 4.276 0 40 FIAB CC[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 28270525 RISHXPURNXAKKC-GFCCVEGCSA-N 366.870 4.125 0 40 FIAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1 32101292 YEFITPBSXYHGIF-INIZCTEOSA-N 364.380 4.169 0 40 FIAB CCCCn1nc(C)c(/C=C/C(=O)Nc2ccccc2C(C)=O)c1Cl 36318300 KMHWBDBIIRNBSG-ZHACJKMWSA-N 359.857 4.500 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2cccc(C)c2)cc1 38753118 USVFMYLSOXYGQA-FQEVSTJZSA-N 361.507 4.210 0 40 FIAB CO[C@@H](CNc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1 40051153 ROUIVYWFDFMEHJ-FQEVSTJZSA-N 356.429 4.491 0 40 FIAB O[C@H](CNc1nn2cc(-c3ccccc3)nc2s1)c1ccc(Cl)cc1 40059633 YPJGAYOMSFPVRT-MRXNPFEDSA-N 370.865 4.257 0 40 FIAB Cc1nc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)sc1C 40130479 SJFCTRUNRUHSJX-UHFFFAOYSA-N 365.764 4.002 0 40 FIAB O=C(CCCNc1ncccn1)Nc1cccc(C2SCCCS2)c1 40131226 GWUDNNLAQLQXCJ-UHFFFAOYSA-N 374.535 4.176 0 40 FIAB Cc1cccc(Cn2c3ccccc3n3c(=O)cc(-c4cccnc4)nc23)c1 40484691 GTTBRZCYROBQOI-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 44932966 CABHMTIXRDPSCZ-KNQAVFIVSA-N 366.480 4.232 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1ccccc1OC(F)(F)F 48304202 YZJFLOKNMLOREE-UHFFFAOYSA-N 359.369 4.257 0 40 FIAB O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1ccc(Cl)cc1F 55561535 KHDYNYPGJURRHH-UHFFFAOYSA-N 367.207 4.277 0 40 FIAB Cc1cccc(N2CCN([C@H](C)C(=O)c3c[nH]c4ccccc34)CC2)c1C 57058587 MNVBLKMEHMHIDA-GOSISDBHSA-N 361.489 4.178 0 40 FIAB CCc1nc(N2CCN(Cc3ccccc3)CC2)c2oc3ccccc3c2n1 57099764 RJWKBURVNIMQIO-UHFFFAOYSA-N 372.472 4.261 0 40 FIAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1 57155807 BXTVVQOLFULECR-UHFFFAOYSA-N 358.485 4.368 0 40 FIAB O=C(CC1CCCCC1)NCCNC(=O)Nc1cccc2ccccc12 58177844 UXWRFLYTXFZDFR-UHFFFAOYSA-N 353.466 4.048 0 40 FIAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C)cc2C)c1C 58227306 FXRWDIAJECRXNY-UHFFFAOYSA-N 360.479 4.016 0 40 FIAB O=C(N1CCC(Cn2cccn2)CC1)C1(c2ccc(Cl)cc2)CCCC1 62017684 YRTBXILZZTUXLS-UHFFFAOYSA-N 371.912 4.287 0 40 FIAB CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](O)(c1ccccc1)C(F)(F)F 72208729 KYULFLRGRVIACI-PBHICJAKSA-N 359.388 4.226 0 40 FIAB O=C(Nc1ccc(Nc2ccc(F)cc2)c2ccncc12)[C@H]1CCOC1 72275221 FGKRLHYFIABJBH-ZDUSSCGKSA-N 351.381 4.093 0 40 FIAB O=C(NCCCC1(C2OCCO2)CCCCCC1)[C@@H]1C[C@H]1c1ccccc1 75148604 RGKOFLANAACVJC-VQTJNVASSA-N 371.521 4.400 0 40 FIAB Cc1nc2ccc(NC(=O)c3cn(CC(C)C)c(=O)c4ccccc34)cc2[nH]1 79478122 DMGOPGICTQNJEZ-UHFFFAOYSA-N 374.444 4.095 0 40 FIAB CC[C@H](CSC)N(C)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 95459558 BSEQUWVWKKECNP-CQSZACIVSA-N 373.547 4.225 0 40 FIAB Cc1cc(-c2nn3c(-c4cc(Cl)cc(Cl)c4)nnc3s2)on1 95477062 HGYYPDGODYUDOQ-UHFFFAOYSA-N 352.206 4.123 0 40 FIAB O=C(NCCc1nc(-c2cccs2)c[nH]1)C1(c2cccs2)CCCC1 96119243 KDYLJTBXBDOMIB-UHFFFAOYSA-N 371.531 4.370 0 40 FIAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 107134646 VEWIIMJSFUIFNJ-OZIGNCPNSA-N 354.538 4.361 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C 110250207 HRLZNEDZBPDKFT-UHFFFAOYSA-N 353.462 4.389 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCO[C@H](c2nccs2)C1 111722573 YPHSSKOGNXKKLR-KRWDZBQOSA-N 373.478 4.070 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccccc1C(=O)c1ccccc1 222652078 FNRNVXJWIJRFHI-UHFFFAOYSA-N 373.408 4.218 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712974 WIGKCGDRUCCMSN-AEFFLSMTSA-N 369.461 4.109 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc(OC)c1)c1ccc(OC)c(C)c1 223175162 XPRQLJGVMBQKRC-VQTJNVASSA-N 371.477 4.437 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(C)c1 223769136 PZAZDWBZLCJTNM-BEFAXECRSA-N 357.450 4.047 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2nnc(SC(C)C)s2)cc1 225058176 SQTIKSJWUSVIMJ-UHFFFAOYSA-N 351.497 4.145 0 40 FIAB O=C(O)[C@@H](Cc1cccc(Br)c1)Oc1ccccc1Cl 225062905 JJLMCOAXCRXPSQ-CQSZACIVSA-N 355.615 4.177 0 40 FIAB COc1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)c(OC)c1 225257401 YVOBFZYZBFZECF-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CCOc1cccc(CNC(=S)Nc2ccc(OC)c(Cl)c2)c1 225439057 LVOFESJYXSXSHX-UHFFFAOYSA-N 350.871 4.234 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)cc1 225470428 GFYXUYFQKHKZTG-OAHLLOKOSA-N 353.491 4.169 0 40 FIAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C)n1 225859429 VAOJGKLYUMXQOZ-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 242508934 BWBZOGWYSMAFNW-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 242853250 GAVKIEBWPQAWLG-UHFFFAOYSA-N 350.462 4.048 0 40 FIAB Cc1cnc([C@H]2CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)s1 257290232 QCCMORLNXFVRRW-KRWDZBQOSA-N 355.507 4.072 0 40 FIAB Cc1noc(C)c1-c1cccc(C(=O)NCc2ccc3ccccc3c2)n1 257323946 WMNLDLNQAXTSCO-UHFFFAOYSA-N 357.413 4.437 0 40 FIAB CCN(C(=O)c1cccc(C(F)F)c1F)[C@@H](C)[C@@H](O)c1ccccc1 529407731 IHYBOZSUHWXXAE-YVEFUNNKSA-N 351.368 4.348 0 40 FIAB O=C(O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 551940564 ZDVRXMVCEAIQFO-UHFFFAOYSA-N 359.425 4.270 0 40 FIAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nc(O)cc(C(F)F)n2)cc1C 570487396 AENLVWVMPSDVLP-NSHDSACASA-N 352.406 4.409 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N[C@H](c1ccsc1)c1cccs1 575414669 IGCWZBZLEPVRQT-XLNAKTSKSA-N 361.513 4.489 0 40 FIAB N[C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(-c4ccccc4F)s3)C2)C1 650706804 SOWKFFSQKQLNQZ-QINHECLXSA-N 374.525 4.273 0 40 FIAB c1ccc(-c2nc(CN3CCC(Oc4nccs4)CC3)cs2)cc1 2086889558 TXGXJSIYDVGMNE-UHFFFAOYSA-N 357.504 4.310 0 40 FIAB COc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 1327072 NEFGXFKCLUVODW-UHFFFAOYSA-N 366.490 4.148 0 40 FIAB COc1ccc(NC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 1336645 PNHYWWVUPIRWFQ-UHFFFAOYSA-N 372.852 4.475 0 40 FIAB O=C(O)C=C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 2527212 BHZRISRNYKBAKP-UHFFFAOYSA-N 363.413 4.042 0 40 FIAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 3452874 TZIYIQKWYGLQHC-UHFFFAOYSA-N 374.440 4.024 0 40 FIAB Cc1cccc(-c2nsc(SCC(=O)OCc3ccccc3)n2)c1 4167425 MAVXNILRBQWCQM-UHFFFAOYSA-N 356.472 4.349 0 40 FIAB CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1 4279427 RISRMNMSSVGUCC-PDGQHHTCSA-N 374.469 4.240 0 40 FIAB CC(C)(C)CC(C)(C)c1ccc(OCCOCCSC(=N)N)cc1 4353076 UHSGHDYRHYPQQB-UHFFFAOYSA-N 352.544 4.422 0 40 FIAB CSc1nsc(SCSc2nnc(-c3ccccc3)o2)n1 4568134 JRFGFISJKLDGKQ-UHFFFAOYSA-N 354.507 4.152 0 40 FIAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCCc2ccccc21 5442824 FTISZWIYXQEWHO-SCLBCKFNSA-N 374.278 4.410 0 40 FIAB CCOc1ccc(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)cc1 5565235 YMNOUAJCZQBKTJ-UHFFFAOYSA-N 374.444 4.033 0 40 FIAB Cc1ccc(N2C(=O)/C(=C/NCc3ccccc3)c3ccccc3C2=O)cc1 5647291 LPEQYGVAKXPNAB-CJLVFECKSA-N 368.436 4.313 0 40 FIAB COc1ccc(OC)c(-n2c([C@@H]3C[C@H]3c3ccccc3)n[nH]c2=S)c1 6274987 NEBYJBFRHVAACI-LSDHHAIUSA-N 353.447 4.218 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)c1 6430145 JTGUMJCMVICBHW-UHFFFAOYSA-N 355.478 4.392 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1Cl 6613921 IBNOJOOYSRQYGG-UHFFFAOYSA-N 373.909 4.375 0 40 FIAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2cccs2)c2ccccc21 6623793 YLEGXMOXAJOFDW-QFIPXVFZSA-N 374.465 4.321 0 40 FIAB biogenic CCOc1ccccc1NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 6627837 UEAGDXQRHPCSAV-SFHVURJKSA-N 374.868 4.132 0 40 FIAB COc1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cc(OC)c1OC 6745623 WGMAXVYWIMCHHQ-UHFFFAOYSA-N 361.401 4.089 0 40 FIAB CCCCn1nnnc1NCc1cccc(OCc2ccc(Cl)cc2)c1 7262198 HNXTVUJCNOLOMH-UHFFFAOYSA-N 371.872 4.318 0 40 FIAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)c1nnc(-c2ccccc2)o1 7286826 HXOWZKNFQLROGD-CYBMUJFWSA-N 363.446 4.167 0 40 FIAB C[C@H]1CCc2c(sc3nc([C@@H](C)N4CCc5ccccc54)[nH]c(=O)c23)C1 7503666 XNAFKHQBGHZMBF-QWHCGFSZSA-N 365.502 4.233 0 40 FIAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccccn3)n2)cc1 7643937 RNNJETOIFXRASA-AWEZNQCLSA-N 351.475 4.329 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7725743 JZDBQUIUCICRRW-UHFFFAOYSA-N 358.825 4.475 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1F 8041817 HLKHLXHNVKUSIV-KSSFIOAISA-N 372.440 4.150 0 40 FIAB CCc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)O)cc1 8084483 YPISWDHYNMSJMV-VXLYETTFSA-N 362.223 4.226 0 40 FIAB CCOc1ccc([C@H]2CCCN2Cn2nc3n(c2=S)CCCCC3)cc1 8189696 LQXUHQAULACDDO-GOSISDBHSA-N 372.538 4.334 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC(c2nc3ccccc3o2)CC1 8324544 SYZAKZQWYZWPFA-UHFFFAOYSA-N 363.442 4.457 0 40 FIAB Cc1cccnc1NC(=O)CSCc1cccc(Br)c1 9605122 QQHDPCPIPBTYSE-UHFFFAOYSA-N 351.269 4.024 0 40 FIAB CC(C)[C@@H](NC(=O)COC(=O)c1ccc(F)cc1Cl)c1cccs1 10550840 HLRMFFHRWKJODE-MRXNPFEDSA-N 369.845 4.211 0 40 FIAB COc1ccc(CNc2ncc(-c3cc(C)no3)c(-c3ccoc3)n2)cc1 12252259 OHGBVQHDZMDHOI-UHFFFAOYSA-N 362.389 4.321 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NCC1CCN(C(C)C)CC1 12442751 IGOKOMXLEMHIOC-UHFFFAOYSA-N 354.494 4.089 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1Br 12547067 OGXCZPHWSGKJGK-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB Cc1ccc(-n2nc(C)c3cc(C(=O)c4cc(C)ccc4O)cnc32)cc1 12588894 LZORNDPSXVWRHW-UHFFFAOYSA-N 357.413 4.282 0 40 FIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2F)no1 12848426 PFNQYBFNDCGCHJ-UHFFFAOYSA-N 354.425 4.427 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)c(OC)c1 12887296 ADHYSENOEVKRIS-HXUWFJFHSA-N 362.429 4.229 0 40 FIAB Cc1ccc(-c2csc3ncn(C[C@H](O)c4ccccc4)c(=O)c23)cc1 12922129 GEUADMXNFJJTAE-SFHVURJKSA-N 362.454 4.167 0 40 FIAB COCCc1ccc(OS(=O)(=O)c2ccccc2-c2ccccc2)cc1 12982905 RTNSAZMDUTYANR-UHFFFAOYSA-N 368.454 4.310 0 40 FIAB COc1ccccc1-c1nn(CN(C)Cc2sccc2C)c(=S)n1C 12994217 QKKASHAWUVAGJJ-UHFFFAOYSA-N 374.535 4.086 0 40 FIAB COc1cccc([C@@H](CNC(=O)Nc2cccc(Cl)c2)N2CCCC2)c1 12998751 UDSRCOQQMUTPEJ-LJQANCHMSA-N 373.884 4.307 0 40 FIAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1ccc2ccccc2c1 13572673 DYHIJWGNYRCHRT-OAHLLOKOSA-N 363.446 4.016 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccccc1F)N(CCc1c[nH]c3ccccc13)C2=O 13690045 OIWCOCOSALAXMJ-NRFANRHFSA-N 374.419 4.126 0 40 FIAB COc1c2c(cc3c1C[C@@H](c1ccc(O)cc1O)CO3)OC(C)(C)C=C2 14613160 FLKVRTIAGSMQLN-GFCCVEGCSA-N 354.402 4.009 0 40 FIAB biogenic Cc1ccc2nc3c(c(C(=O)Nc4ccc5c(c4)OCO5)c2c1)CCCC3 16018542 BGPZLHDESXYRKS-UHFFFAOYSA-N 360.413 4.403 0 40 FIAB CCCc1ncc(CN[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccc(OC)cc2)cn1 19525780 OAEHIPJFFLNJFH-SEIRJHJZSA-N 351.494 4.110 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20144064 TXBHGBNITXTYBT-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)cc1OC 20632960 OQDHOLRLXOOCAZ-INIZCTEOSA-N 362.429 4.111 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)C[C@@H](NC(C)=O)c1cccs1 22278942 BASVCZACSLHEBW-CRAIPNDOSA-N 358.507 4.143 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)C1CC1 25595435 HILBSHXKJJDTQC-GFCCVEGCSA-N 355.825 4.314 0 40 FIAB O=c1c2cc(Cl)ccc2ncn1Cc1ncc(-c2cccc(Cl)c2)o1 28189065 VRCLFFOGMKGANI-UHFFFAOYSA-N 372.211 4.407 0 40 FIAB O=C(NCc1cccc(Oc2ccccc2)c1)C1C[C@@H]2CCC[C@H](C1)C2=O 32362654 ABEMVIWYBPAGSD-DFNIBXOVSA-N 363.457 4.491 0 40 FIAB Cc1noc(C)c1CCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 32716873 PSWBTRFOJCZEEO-UHFFFAOYSA-N 358.825 4.454 0 40 FIAB O=C(Nc1cccc2ncccc12)c1ccc(OCc2cccnc2)cc1 32796479 XPABTUUUBNUDDL-UHFFFAOYSA-N 355.397 4.461 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccsc1 32800821 LNRDABYMDPTSGB-HXUWFJFHSA-N 350.487 4.448 0 40 FIAB C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 32865785 AQAUEDMYXMDINT-QGZVFWFLSA-N 369.484 4.193 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1OC(F)F 39994103 ILQBVHNEZLXLID-KRWDZBQOSA-N 372.371 4.191 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 40051337 WCWRBTZLZOKDBV-UHFFFAOYSA-N 365.454 4.285 0 40 FIAB Cc1ccc(-c2noc(CS(=O)(=O)Cc3ccc(C(C)C)cc3)n2)cc1 40060011 XBCZAQKXQCMQKU-UHFFFAOYSA-N 370.474 4.283 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 44904312 PLNRZNLEGZUSOY-HNNXBMFYSA-N 355.434 4.311 0 40 FIAB Cc1csc(CNC(=O)Nc2cccc(COCc3ccco3)c2)n1 47603216 XWEBMWIHJWCBPW-UHFFFAOYSA-N 357.435 4.083 0 40 FIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)CCc1cccs1 48342534 BTVJKNGZTROLRJ-GFCCVEGCSA-N 352.297 4.191 0 40 FIAB CSc1ccc(CNC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57413694 DRMMXLBNVQIKNM-UHFFFAOYSA-N 357.866 4.382 0 40 FIAB CC(C)C[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1cccs1 58225026 KVCIUULOLMNONV-OAHLLOKOSA-N 370.478 4.029 0 40 FIAB Cn1cc(CN2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 72349955 NBJDWOUCJATGIC-GOSISDBHSA-N 350.441 4.001 0 40 FIAB Cc1ccccc1-c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n(C)n1 74285601 GIECSQYUUIISRW-UHFFFAOYSA-N 361.232 4.350 0 40 FIAB CCOc1ccc(CN(C)Cc2cc(Br)ccc2F)nc1 75107801 OLXPFFNMBPERGB-UHFFFAOYSA-N 353.235 4.014 0 40 FIAB Cc1ccc(SCCC(=O)NCc2nc(-c3cccc(C)c3)no2)cc1 78579226 DEOVWPRFZCZJIW-UHFFFAOYSA-N 367.474 4.152 0 40 FIAB CCSc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cn1 95389756 XSTSIFIWCUPMGX-GOSISDBHSA-N 367.474 4.096 0 40 FIAB C[C@H](NC1(CNCc2ccc([C@H]3C[C@H]3C)o2)CCOCC1)c1ccccc1 97002561 ZXJCGYDYWHXRHF-LQWHRVPQSA-N 368.521 4.393 0 40 FIAB O=c1c2scc(-c3ccccc3)c2ncn1CCOc1ccc(F)cc1 98212137 CBNJXDBLDWWPGA-UHFFFAOYSA-N 366.417 4.343 0 40 FIAB Cc1cc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccn1 119146872 UFBSTUBORJYCOT-UHFFFAOYSA-N 352.463 4.411 0 40 FIAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC[C@@H](C)C(C)=O)C(=O)OC2 146489730 HRYHMFTVUSXJPA-CNELAYHGSA-N 360.450 4.264 0 40 FIAB biogenic,in-vitro O=C(Nc1cccc(Cl)n1)c1cccc(-n2nccc2C(F)(F)F)c1 177488475 VFAUXLBVLHCSKF-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB O=C(c1cc(C2CC2)[nH]c(=O)c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 185481354 PEEHOWBHTUELGK-FQEVSTJZSA-N 361.445 4.101 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN(C)c1ccccc1 219374048 RBQBJXBKMHBUNR-FQEVSTJZSA-N 354.494 4.104 0 40 FIAB COC(=O)c1c(NC(=O)CCc2ccccc2F)sc2c1CCCC2 223225435 YGEXWIXDBVRXQN-UHFFFAOYSA-N 361.438 4.124 0 40 FIAB COc1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc(OC)c1OC 223401329 LEPYMLFOLKJFAN-OAHLLOKOSA-N 357.450 4.129 0 40 FIAB Cc1cccc(OCCNC(=O)CSCc2c(F)cccc2Cl)c1 223455841 LVEAUQIMEMDSFJ-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB C[C@H]1CCCN(c2ccc(NC(=S)NCCCc3ccccc3)cn2)C1 223963397 BRHDSUFDLFRFAW-KRWDZBQOSA-N 368.550 4.237 0 40 FIAB CCOc1ccc(N(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224930295 YMICNMGRJPOJDJ-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB COc1cccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)c1 225553517 FWXUACROMKAYNQ-UHFFFAOYSA-N 352.862 4.407 0 40 FIAB COc1cc(C)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(C)C 225658195 KFJWWDMQXXDKHS-UHFFFAOYSA-N 370.468 4.229 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 245228428 XQZSITUXVFULFY-JROBLHLSSA-N 357.538 4.342 0 40 FIAB CCn1cc(CN2[C@H]3CC[C@H]2c2cnc(C)nc2C3)c2cc(OC)ccc21 247963540 PPWNRQKEAYXUQG-AOMKIAJQSA-N 362.477 4.030 0 40 FIAB Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 257200737 AERPHUXBMBUPSB-CFGKVWFZSA-N 374.444 4.125 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 408628212 QWSFKDFPQNARSS-RUMSDORHSA-N 369.490 4.185 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)cc1 409229934 AEMWWMJHWLBIGU-UHFFFAOYSA-N 368.502 4.174 0 40 FIAB CC(C)c1csc([C@@H]2CCCN(Cc3ccsc3C(=O)O)C2)n1 571291911 WUKGRTOTPHZZKF-CYBMUJFWSA-N 350.509 4.406 0 40 FIAB Cc1nn(CCNC(=O)c2cc3ccccc3s2)c(C)c1-c1ccco1 575616322 ZEBLMCHZABNAMN-UHFFFAOYSA-N 365.458 4.405 0 40 FIAB O=C(NCc1nccnc1-c1cccs1)NCc1cccc2ccccc12 575621400 WYLIVFSXXFPQPY-UHFFFAOYSA-N 374.469 4.358 0 40 FIAB COC[C@H](NC(=O)Nc1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1 580340156 FSOHFFPHSNVBJE-ZDUSSCGKSA-N 373.762 4.263 0 40 FIAB O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc[nH]c1C1CCC1 585084057 IWRAKDAZQVUYTI-UHFFFAOYSA-N 372.896 4.414 0 40 FIAB Cc1ccc([C@@H]2COCCN2C(=O)NCc2csc3ccccc23)o1 604895441 QJELBFNRHSXXBI-INIZCTEOSA-N 356.447 4.086 0 40 FIAB C=CC(=O)Nc1ccc(C(=O)N2CCCSC[C@H]2c2ccccc2)cc1 1176163856 NULDNVHPQZOODQ-IBGZPJMESA-N 366.486 4.132 0 40 FIAB CC[C@H](NC(=O)c1onc2ccccc12)c1nc(C(F)(F)F)cs1 1566023140 MUGIPYOBCATWNZ-VIFPVBQESA-N 355.341 4.184 0 40 FIAB Fc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c(F)c(F)c1F 633081 NOYSBCWEULFULG-UHFFFAOYSA-N 350.300 4.076 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)o1 645143 PAHLPUCYPIFURY-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCN(CC)c1ccc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 751963 GBTWFKFHHSSHEI-UHFFFAOYSA-N 371.506 4.397 0 40 FIAB O=C1CC[C@](C(=O)Nc2ccccc2)(c2ccccc2)N1Cc1ccccc1 888664 FPJYCGQJANAKGP-XMMPIXPASA-N 370.452 4.343 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 997484 UVQRADPCXIQLER-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c(C)c1 3302771 GADVGTJTMQHYMT-UHFFFAOYSA-N 365.351 4.426 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CCC2 4088483 FPILEXLDKZCQKT-UHFFFAOYSA-N 372.471 4.276 0 40 FIAB O=C(c1ccco1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273186 OWUOBCQQFIQUAK-UHFFFAOYSA-N 353.378 4.270 0 40 FIAB C[C@@H]1NC(=O)N[C@H]1CCCCCC(=O)Nc1ccccc1-c1ccccc1 4520570 LYZNJIQOYWFAJF-LPHOPBHVSA-N 365.477 4.313 0 40 FIAB CCCCc1cc(=O)oc2cc(O[C@H](C(=O)OC)c3ccccc3)ccc12 4747504 OKHNWFQZPXOLGU-NRFANRHFSA-N 366.413 4.429 0 40 FIAB CCCc1cc(=O)oc2cc(OCC(=O)OC(C)(C)C)c(Cl)cc12 4749550 ZRFXKPZCXFCDEC-UHFFFAOYSA-N 352.814 4.119 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1c(F)cccc1F 5152736 KQXZLRFMBFQPNU-SFHVURJKSA-N 368.383 4.092 0 40 FIAB COc1cc(NC(=O)Cc2cccc3ccccc23)ccc1N1CCCC1=O 5440355 BAPYKFUPVNVKNJ-UHFFFAOYSA-N 374.440 4.156 0 40 FIAB O=C(NCc1ccco1)c1ccccc1-c1nc(-c2ccccc2F)no1 5562574 HWXBUUMEHZEGKE-UHFFFAOYSA-N 363.348 4.066 0 40 FIAB Cc1ccc(C2=Nc3ccccc3C(c3ccc(N(C)C)cc3)=NN2)cc1 6245059 WBLXNBPMJKXETF-UHFFFAOYSA-N 354.457 4.495 0 40 FIAB CCOc1ccc(-n2cnc3c(c(C)c(C)n3Cc3ccccc3)c2=N)cc1 6672575 GMMYWVGUCBWYNR-UHFFFAOYSA-N 372.472 4.370 0 40 FIAB O=C(COc1ccc(Br)cc1F)Nc1ccc2c(c1)CCC2 7200578 VIEHSTOUDPSWEC-UHFFFAOYSA-N 364.214 4.094 0 40 FIAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Br)cc1 7242306 XGCFGNKSCKDRKH-LBPRGKRZSA-N 359.267 4.377 0 40 FIAB C[C@H](NC(=O)CSc1nnc(C2CC2)o1)c1cccc2ccccc12 7290203 KJTLUVWRQWSYDB-LBPRGKRZSA-N 353.447 4.070 0 40 FIAB Cc1nc(SCc2cc3c(cc2Br)OCO3)nc(C)c1C 7294073 LZHPAYUKRGMVIG-UHFFFAOYSA-N 367.268 4.185 0 40 FIAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccc(F)cc1 7603906 IEYCGVVUCQMALZ-UHFFFAOYSA-N 369.186 4.264 0 40 FIAB Cc1ccc(-c2noc(SCC(=O)Nc3ccccc3Cl)n2)cc1 7610304 BHPWEJGCTTUVAP-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB CCc1cccc(C)c1NC(=O)CSCC(=O)Nc1cccc(C)c1 7653237 QWIUNEXRWULWMP-UHFFFAOYSA-N 356.491 4.176 0 40 FIAB COc1cccc(CN(C)c2nc(C)nc3sc4c(c23)CCC4)c1OC 8063350 WHPHBEYGBKDUGY-UHFFFAOYSA-N 369.490 4.142 0 40 FIAB C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCCCC1 9337417 NQEJNVXSXZYPJL-INIZCTEOSA-N 369.436 4.227 0 40 FIAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9762399 IAZOSHGEBKOJBJ-SXSDINLZSA-N 366.490 4.024 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)NCC3(c4ccccc4)CCC3)c12 10222005 KAHOVNZMNMCDBN-UHFFFAOYSA-N 361.445 4.260 0 40 FIAB Cc1csc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)n1 10944583 ZBCVLDVLNQJXMC-UHFFFAOYSA-N 356.476 4.003 0 40 FIAB CCn1nccc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 11695993 FGDMHBUPGFLAEF-UHFFFAOYSA-N 352.463 4.158 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)cc1 11915131 VETBSUPVVIXXCY-UHFFFAOYSA-N 352.390 4.391 0 40 FIAB Cc1cccc(-n2c(SC[C@@H]3CCOCO3)nnc2-c2ccccc2)c1 12515703 PUWWAIJAWWMBII-SFHVURJKSA-N 367.474 4.098 0 40 FIAB Cc1nc(C2(NC(=O)c3oc4ccc(F)cc4c3C)CCCCC2)no1 12903500 MFNRYCVDVFWOJE-UHFFFAOYSA-N 357.385 4.161 0 40 FIAB COc1ccccc1OCCNC(=O)c1oc2ccccc2c1CSC 12908989 DFSDVEWGFYGVKM-UHFFFAOYSA-N 371.458 4.113 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2=O)c1 12939603 URHROIUJBQVQQK-UHFFFAOYSA-N 362.351 4.080 0 40 FIAB C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13651794 SORISAYAZBCIQH-XSSYPUMDSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro O=c1oc2c3c(ccc2cc1-c1ccccc1)OCN(Cc1ccncc1)C3 13692492 CPCFOABZICRVDK-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2cccs2)CC1 14119393 XICGPSQGNDWJGV-UHFFFAOYSA-N 370.449 4.105 0 40 FIAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1nccs1 14137296 KXUFLQUXJJENKW-UHFFFAOYSA-N 365.867 4.013 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC 14168511 LERQPJMSRREWOE-NSHDSACASA-N 353.340 4.214 0 40 FIAB Cc1cccc(-c2nnc([C@@H](C)Nc3ccc(N4CCCC4=O)cc3)o2)c1 15507038 LTRHVVCRKSKNRH-OAHLLOKOSA-N 362.433 4.345 0 40 FIAB C[C@H](NCC(=O)Nc1ccc(N(C)C)cc1)c1ccc(Cl)cc1Cl 16634381 XXBGPEGXUYUZFN-LBPRGKRZSA-N 366.292 4.349 0 40 FIAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1C[C@H](C)O[C@@H](C)C1 17327660 QLZTVSWDRXUORQ-QWRGUYRKSA-N 350.871 4.021 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)c1 20609575 UEQROIRYMCHUDY-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCc2sccc2C1 22456618 PGLBCVYYUTUCFC-NSHDSACASA-N 360.529 4.423 0 40 FIAB O=C(CCc1ccc2ccccc2n1)OCc1ccc(-n2cccn2)cc1 24423767 WMINDSDLDYVODE-UHFFFAOYSA-N 357.413 4.097 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cccnc1)CC2 24528460 RDDKFSFYMSXFIT-OAQYLSRUSA-N 366.486 4.308 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C2CC2)c1C 25054999 ALMCCSFTXFLPKQ-AWEZNQCLSA-N 356.441 4.209 0 40 FIAB CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 27584180 AZLSZBSWNZWMNB-KRWDZBQOSA-N 358.507 4.104 0 40 FIAB CCCCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl 27823835 KFXGEZQEBUONTI-XJKSGUPXSA-N 359.919 4.376 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 30854359 RIQGFXUVCRUULN-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB CC(C)c1ccc(SCC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 31817798 JTDKXQRYXQPYJB-UHFFFAOYSA-N 363.504 4.157 0 40 FIAB CCc1sc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccc(C)cc2)cc1C 32796197 QDKLETLXCXRXLS-QGZVFWFLSA-N 370.518 4.021 0 40 FIAB Cc1nc2c3ccccc3nc(SCc3nc4ccccc4s3)n2n1 32871505 KBKQEYNWRBZUDV-UHFFFAOYSA-N 363.471 4.488 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)o2)c(Cl)c1 32945271 RCTOOYWVVAKPKO-UHFFFAOYSA-N 374.853 4.133 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1OC 36360156 KGGFDVNCPXBEAM-ZDUSSCGKSA-N 367.380 4.152 0 40 FIAB CC(C)(C)C[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccc1 40093571 MQSIWGLEAJGTFB-IBGZPJMESA-N 365.477 4.124 0 40 FIAB CCCCC[C@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140241 RUSNHOFQTGLKRU-KRWDZBQOSA-N 373.518 4.359 0 40 FIAB CCOC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc2c1CC[C@H](C)C2 44827179 SLEWNICQLQCODZ-GTNSWQLSSA-N 371.458 4.331 0 40 FIAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Cl)s2)c1 47711307 IOGBSOXXKLJICV-UHFFFAOYSA-N 353.831 4.244 0 40 FIAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)NCC(F)(F)F)cc2)o1 48326602 PIQMTNJYJUPTPO-UHFFFAOYSA-N 361.323 4.004 0 40 FIAB O=C(NCCSc1ccccc1)NCc1cc(Br)cs1 48685077 LHXYULJKPBZDFB-UHFFFAOYSA-N 371.325 4.102 0 40 FIAB CN(C(=O)N[C@@H]1CCOc2c(Cl)cccc21)[C@H]1CCc2ccccc21 56805211 TVEVNESWIYYHHC-MSOLQXFVSA-N 356.853 4.493 0 40 FIAB Cc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 58064250 QWKFMGZUXNRPOF-UKPHBRMFSA-N 373.522 4.219 0 40 FIAB Cc1ccc(S(=O)(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)s1 58064414 SXMIGTYQBYNJJT-UHFFFAOYSA-N 362.303 4.331 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@@H]1CCC(C)(C)c2ccccc21)c1cccs1 58157914 LJMBJLQXHUJBRM-QZTJIDSGSA-N 370.518 4.244 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H](C)OCC(F)(F)F)CC1 58421711 VYWWEJVBJUCVLS-CYBMUJFWSA-N 368.399 4.150 0 40 FIAB COc1ccccc1CN(Cc1ncc(C(C)(C)C)o1)C[C@@H]1CCCO1 58579837 POSYANRQFVKUNF-KRWDZBQOSA-N 358.482 4.162 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC[C@@H]2CCCC[C@@H]21 69268366 SONFLGZJUSRPKS-WDSOQIARSA-N 357.498 4.014 0 40 FIAB Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(c2ncnc3[nH]ccc23)C1 71751971 MXLQNKJHAQQMGM-ZDUSSCGKSA-N 354.841 4.019 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)=O)cn1 72215103 BDURIXRWWIAIFS-PBHICJAKSA-N 361.486 4.305 0 40 FIAB CCN(C(=O)c1ccc(OC(F)F)cc1)[C@H](COC)Cc1ccccc1 72309243 XKNPAKVGBNLOSM-KRWDZBQOSA-N 363.404 4.008 0 40 FIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCCC2)n1 72378949 FCEXRPORSZAQFA-GOSISDBHSA-N 352.482 4.244 0 40 FIAB CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(Cl)cccc3s2)c1 77196755 YRARXJRUJANZHG-UHFFFAOYSA-N 373.865 4.227 0 40 FIAB Cc1ccc(-c2csc3ncnc(N[C@H](C)CN4CCCC4=O)c23)cc1 84172042 VIJDQIGSCYHRLO-CQSZACIVSA-N 366.490 4.090 0 40 FIAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1nc2ccccc2s1 90607220 FLSMIAUNDAMRQF-UHFFFAOYSA-N 360.442 4.358 0 40 FIAB O=C(c1ccn(-c2ccccc2)n1)N(Cc1ccco1)c1ccc(F)cc1 95350053 BKNRPBDFLSXJHS-UHFFFAOYSA-N 361.376 4.451 0 40 FIAB O=C(Nc1ccc(CCN2CCCC2)cc1)c1cc(F)c(F)c(F)c1F 95369475 HLLPFQINDIOZOT-UHFFFAOYSA-N 366.358 4.134 0 40 FIAB O=C(c1ccccc1)c1ccc(OCc2ncn(-c3ccccc3)n2)cc1 95457488 HMCNBYPSVZQMLD-UHFFFAOYSA-N 355.397 4.077 0 40 FIAB CC(C)n1ccc2c(NC(=O)c3cc(=O)n(C)c4ccccc34)cccc21 95475035 IYMQAXYMJABFBA-UHFFFAOYSA-N 359.429 4.326 0 40 FIAB CCCO[C@H]1CCCN(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 95953682 UYATXJOJXBTVSB-IBGZPJMESA-N 370.497 4.302 0 40 FIAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccccc1C 216823517 VMKKJVFQDVOKPG-UHFFFAOYSA-N 359.813 4.258 0 40 FIAB C[C@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)OCCO2 222733616 BZMLSJZGSLDWBR-INIZCTEOSA-N 361.441 4.421 0 40 FIAB Cc1ccc(OCC(=O)NCCSCc2cccc(Cl)c2)c(C)c1 222823996 PEMAPESSVJDFCV-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 222968744 NMDMZIRFLKIFBP-LJQANCHMSA-N 366.461 4.226 0 40 FIAB C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCC2 223261111 CNRTWFIVEWGEJR-CYBMUJFWSA-N 363.379 4.450 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1Cl 224517069 GFGNVEJPEOIVLF-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB O=C(Cc1cccc(Br)c1)Nc1ccc(N2CCCC2)cc1 224939021 RURWOENLBBXWFB-UHFFFAOYSA-N 359.267 4.231 0 40 FIAB CCc1ccc(NC(=O)c2ccc(C)cc2I)cc1 225011216 FVNYVKVVDZFDLX-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB COc1ccc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 225182214 GMJVHLPTVXTSTN-UHFFFAOYSA-N 355.478 4.039 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)N[C@H](C)CC 225748073 OEYOTPAZPZLLTB-WBMJQRKESA-N 373.324 4.425 0 40 FIAB Cc1ccc(NC(=O)CCNC(=O)c2ccc3nc(Cl)sc3c2)cc1 225979240 VFJNUDXQTKLEHC-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB C/C(=C1/NC(c2ccccc2)=NN(c2ccccc2)C1=O)c1ccc(C)o1 226761339 QBCGAPSVLHVWGB-SILNSSARSA-N 357.413 4.317 0 40 FIAB Cc1ccc2c(c1)OC1(CCN(Cc3ccccn3)CC1)[C@H]1CCCO[C@H]21 257209290 BPTYHACSWGTQRK-RBBKRZOGSA-N 364.489 4.285 0 40 FIAB CC(C)CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)cc4)OCC[C@@]31C2 257282346 OTJSVPYLMXSOMQ-CSSXWCHRSA-N 371.521 4.437 0 40 FIAB CCc1c(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)[nH]c(C)c1C(=N)O 332144869 NJOGARCMYWRWSF-SUYBPPKGSA-N 353.466 4.176 0 40 FIAB Cc1ccc(N[C@H](C)c2ccc(C(F)F)nc2)cc1-c1nnnn1C1CC1 657973680 SXXLEAFTJSOOLB-GFCCVEGCSA-N 370.407 4.489 0 40 FIAB Cc1ccc(C2(C(=O)NC[C@@H](O)c3ccc(OC(C)C)cc3)CCC2)cc1 1566311706 QFPKNIIVLDAUKQ-OAQYLSRUSA-N 367.489 4.054 0 40 FIAB COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1ccco1 677693 NVIGKHNPCVFOOV-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB Cc1ccc2c(=O)c(-c3cc(Br)cc4c3OCOC4)coc2c1 940994 JHPQUCSZCMKYNH-UHFFFAOYSA-N 373.202 4.397 0 40 FIAB biogenic CCCc1nc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2n1 1342718 IIBZZONQKRGHNI-GJZGRUSLSA-N 357.523 4.464 0 40 FIAB CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 1509809 DPTHIHGSQLZNDU-LJQANCHMSA-N 361.470 4.384 0 40 FIAB OCCSc1c(Cl)c(Cl)c(SCCO)c(Cl)c1Cl 1615376 YECROECUTGYTAH-UHFFFAOYSA-N 368.134 4.469 0 40 FIAB CC[C@@H](C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2418009 WPJAUPQUXQXUKX-CQSZACIVSA-N 374.444 4.170 0 40 FIAB Cc1cc(C)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)c1 2646483 OJGYWFRUAWGCOC-UHFFFAOYSA-N 357.759 4.329 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 3072845 QDLCPKMBOHVWIT-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(F)cc4)[C@H]3C=C12 4044593 FFSNVRAKSCJUEN-LOHSHHQESA-N 371.496 4.272 0 40 FIAB biogenic CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc4c(c2)OCO4)N3)C1 4545435 ZNEANPQVODSFCL-BTDLBPIBSA-N 356.447 4.421 0 40 FIAB CCOP(=O)(OCC)OCCCCOP(=O)(OCC)OCC 4705704 PWBCQKPSWDBDCC-UHFFFAOYSA-N 362.296 4.162 0 40 FIAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1nnc(C)s1 4849482 IQCCAWRIBCNIJW-UHFFFAOYSA-N 372.519 4.305 0 40 FIAB Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 4888488 RSJHWQMPUSQZNY-UHFFFAOYSA-N 371.868 4.075 0 40 FIAB Cc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c1 5099366 UVUDSLWBNNNKST-UHFFFAOYSA-N 360.413 4.433 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CC2)c1C 5226224 ISYUBWFUWKFLEP-HNNXBMFYSA-N 368.546 4.452 0 40 FIAB Cc1c(CC(=O)NC2CC2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5345557 ZIYVEAPOMGSULT-UHFFFAOYSA-N 367.445 4.275 0 40 FIAB CCOc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1OC 5836848 DHWXRZNADJBLGU-UHFFFAOYSA-N 359.403 4.167 0 40 FIAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC)C1=O 6324320 HVLXWWCHVKVYAU-UKTHLTGXSA-N 370.268 4.294 0 40 FIAB Cc1cccc(NC(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)n1 6608412 NZTXUKQMSAUOCE-LJQANCHMSA-N 367.493 4.081 0 40 FIAB CCCCN1C(=O)S[C@@H](Cc2cc(Cl)cc(Cl)c2OC)C1=O 6647606 GWPKQJSEMTWXGC-LBPRGKRZSA-N 362.278 4.409 0 40 FIAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3cccc(Cl)c3)o2)cc1 7891861 PSMBMPGFOGFTBE-LLVKDONJSA-N 358.781 4.317 0 40 FIAB Cc1ccccc1-c1noc(CSc2nnc(C3CC3)n2C2CC2)n1 7905314 FGXRDZJQBKJVTH-UHFFFAOYSA-N 353.451 4.141 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 8133849 WASGQYZIUXKRTI-DHZHZOJOSA-N 374.469 4.154 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)COc1ccc(-c2ccccc2)cc1Cl 8224667 UVDSDVIZRHBETG-UHFFFAOYSA-N 369.852 4.375 0 40 FIAB c1ccc(Cn2ncc3c(SCc4nc5ccccc5[nH]4)ncnc32)cc1 8310443 PJYOJYHBKFKUFA-UHFFFAOYSA-N 372.457 4.043 0 40 FIAB COc1ccc(Br)cc1CN(C)Cc1nc2ccccc2o1 8530249 ZLZOACUIXFVDRM-UHFFFAOYSA-N 361.239 4.231 0 40 FIAB COc1ccc(-c2c(-c3ccco3)nn(-c3ccccc3)c2N)cc1OC 8730744 IIXVGZHEHKZRRA-UHFFFAOYSA-N 361.401 4.399 0 40 FIAB CCOc1ccccc1C(=O)NCCCC(=O)Nc1c(C)cc(C)cc1C 9335565 VXBQIIPYDQMDGM-UHFFFAOYSA-N 368.477 4.159 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 10972223 LARAZSDGYJVCFH-UHFFFAOYSA-N 366.461 4.327 0 40 FIAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2CCCCC2)C1 12221139 FNOBWTBHXHNRCB-LJQANCHMSA-N 364.493 4.249 0 40 FIAB COc1ccc(-n2ccnc(SCc3ccc(C)cc3)c2=O)cc1Cl 12360994 GGZYKHUYKXLGSO-UHFFFAOYSA-N 372.877 4.495 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 12417674 YZHJBTBFODZOGE-BETUJISGSA-N 366.383 4.176 0 40 FIAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 12614377 GCCBYGXGQKPEFP-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB COC(=O)CSc1nc(Nc2ccccc2Cl)c2ccccc2n1 12620298 ZNDVGJQSXJZJJW-UHFFFAOYSA-N 359.838 4.292 0 40 FIAB Cc1occc1-c1nc(NCc2ccccc2F)ncc1-c1cnccn1 12739642 DTQWPZXZOBEPDE-UHFFFAOYSA-N 361.380 4.253 0 40 FIAB O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(F)cc1Br 12773007 ZGZBYSHZMIBJRY-JQWIXIFHSA-N 368.168 4.439 0 40 FIAB O=C(Nc1ccccc1N1CCCC1=O)c1csc(-c2ccccc2)n1 12996370 CWPGCBHQKNYGJX-UHFFFAOYSA-N 363.442 4.189 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 13141270 WUUVTXDCTBIEPU-GASCZTMLSA-N 370.522 4.026 0 40 FIAB COc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(OC)c1 13720877 DTRDHNFZCLQTGA-UHFFFAOYSA-N 366.295 4.319 0 40 FIAB CCCCCCn1c(SCc2ccc(Cl)cc2)nc(O)cc1=O 13957058 LPRLHIMIDTZZDO-UHFFFAOYSA-N 352.887 4.475 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1Cl 14068053 JVNYBVRCYQYTLW-UHFFFAOYSA-N 372.881 4.349 0 40 FIAB CC(=O)c1sc(NC(=O)CCc2c(C)noc2C)nc1-c1ccccc1 14084744 SNNJFZVHQPYPBI-UHFFFAOYSA-N 369.446 4.189 0 40 FIAB O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)N1CCCC1 17076296 GBBIOLGBFSCPOQ-UHFFFAOYSA-N 372.472 4.411 0 40 FIAB Cc1ccc(CNC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 18186050 XVHVKMXDNSPWTP-UHFFFAOYSA-N 366.486 4.198 0 40 FIAB Cc1cc(C)n(CCCn2cncc2-c2ccc3c(c2)CC(C)(C)O3)n1 19719714 MDTLXQHOKUIFLC-UHFFFAOYSA-N 350.466 4.167 0 40 FIAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 20460197 HGNDWWUBXOLDIW-LBPRGKRZSA-N 358.290 4.482 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)cc2)c(C)c1 22527372 CQWLHZXPIZYRKS-AWEZNQCLSA-N 373.474 4.300 0 40 FIAB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(F)cc2)c2ccccn2)c1 27581984 VJIAOPCINKCGEB-UHFFFAOYSA-N 364.420 4.450 0 40 FIAB Cc1cccc(Cn2cc(Br)c(NC(=O)C3CCCC3)n2)c1 27917479 QQEJWWKXCJUBAD-UHFFFAOYSA-N 362.271 4.131 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)c2ncccc12 31096302 XYJJPPPCFQLLIT-OAQYLSRUSA-N 371.440 4.446 0 40 FIAB O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc2c(c1)OCCO2 31662505 WTSXMMAHVQMERO-UHFFFAOYSA-N 364.401 4.074 0 40 FIAB Cc1ccc(OCC(=O)Nc2noc(-c3cccc4ccccc34)n2)cc1 32623937 KBKOXBIPRKCJCM-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[nH]c3ccccc23)c1 32741074 QLKFPVFMUSNRBA-IBGZPJMESA-N 350.418 4.162 0 40 FIAB COCc1c(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)oc2ccccc12 32745016 RJTLRKJOWZRKPG-GFCCVEGCSA-N 357.381 4.218 0 40 FIAB O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCCC1 36366454 UXEFHQPKVFCSJM-NRFANRHFSA-N 374.484 4.366 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c1OC(F)F 36696941 LZWLNHJJYCYJLW-LTPNKRFPSA-N 353.409 4.251 0 40 FIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)o1 36697610 RUPTYKLQBBRNLK-NIYJZGOVSA-N 352.478 4.055 0 40 FIAB O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(Br)cc1 37385922 WNNMWJVBZNSPMG-UHFFFAOYSA-N 366.280 4.129 0 40 FIAB Cc1nc(COc2ccc(CNCC3(N(C)C)CCCCC3)cc2)cs1 38320232 SLNUGBKTFFFBGL-UHFFFAOYSA-N 373.566 4.385 0 40 FIAB Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)NC[C@@H]1CCCO1 41778853 ZHVYRLJWQQWIAR-SFHVURJKSA-N 360.457 4.048 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)Cc3c(C)noc3C)s2)cc1C 44631922 TVYUEKCSUVPBFK-UHFFFAOYSA-N 355.463 4.137 0 40 FIAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1 44906417 FWRPEXCSFYVLFT-UHFFFAOYSA-N 356.897 4.298 0 40 FIAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1Cl 44945727 IHAJAAUBAJPBQA-UHFFFAOYSA-N 374.849 4.117 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364476 BGOJSALRZWUDGR-KRWDZBQOSA-N 374.440 4.162 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1Cl 57764233 ZTTMJLIUGCRQRL-UHFFFAOYSA-N 358.246 4.039 0 40 FIAB O=C(CSc1ccccn1)Nc1ccc(NC(=O)c2cccs2)cc1 58192267 KUPREGYCEOKXLE-UHFFFAOYSA-N 369.471 4.126 0 40 FIAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(Cl)c1N(C)C 58305007 BVHYZUKLXFXGOW-CZUORRHYSA-N 353.894 4.123 0 40 FIAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc[nH]c1=O 65576244 QRGLLYFSALRUKH-UHFFFAOYSA-N 363.442 4.006 0 40 FIAB COC(=O)Nc1cc(NC(=O)c2cnc(C(C)(C)C)s2)ccc1F 66487378 APBFXTPDMHNACS-UHFFFAOYSA-N 351.403 4.010 0 40 FIAB CC(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 68713179 LQFPDAFACHDGMW-HSZRJFAPSA-N 365.473 4.273 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)=O 72215031 CBZZVTDGYKEEIY-KRWDZBQOSA-N 361.486 4.307 0 40 FIAB CCN(C(=O)Nc1cccnc1Cl)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 72314423 JCKOLSXYZGGJIX-DOTOQJQBSA-N 372.900 4.424 0 40 FIAB Cc1sc2ncnc(N[C@@H](C)c3ccc4c(c3)CCC(=O)N4)c2c1C 76832418 QRHQMAYUDCHERN-NSHDSACASA-N 352.463 4.366 0 40 FIAB CCn1cnnc1-c1ccc(C(=O)N(Cc2ccc(C)cc2)C2CC2)cc1 83843670 MSMWGZFPHTXVTE-UHFFFAOYSA-N 360.461 4.078 0 40 FIAB Nc1nc(-c2ccc(OCc3ccccc3Cl)c(C(=O)O)c2)cs1 85397510 FBZLMAVEMOTENR-UHFFFAOYSA-N 360.822 4.323 0 40 FIAB Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)n[nH]3)CC2)cc1C 98212590 ZFHIEHKLLIHNBP-UHFFFAOYSA-N 374.488 4.092 0 40 FIAB COc1ccc(N(C(=O)c2ccc(F)cc2)C2=C[C@H]3CC[C@H](C2)N3C)cc1 100537310 LHMXSGJHEUTTLE-RTBURBONSA-N 366.436 4.232 0 40 FIAB Cc1nc2n(n1)[C@H](c1cccnc1)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102710329 AFSQDJIWWIKUSL-OXQOHEQNSA-N 357.417 4.047 0 40 FIAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102812006 IJUBJARZEOLNML-GJKVBTIHSA-N 365.945 4.372 0 40 FIAB biogenic Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C(C)C 219298487 RQIHXRVDSNWGID-ROUUACIJSA-N 355.478 4.469 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)CSCc2ccccc2Cl)c1 223978751 MGSQAEQTNKVPRZ-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOCc1ccccc1 224128944 KUJDVPFHVJNOBN-QGZVFWFLSA-N 355.478 4.084 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225177097 BFKPJPHZTSLHOM-GOSISDBHSA-N 367.489 4.145 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2cc(C)ccc2C)c1 225536425 HFGXVELBNLJVHI-OAHLLOKOSA-N 356.491 4.446 0 40 FIAB COc1cccc(NC(=S)NCCCSCc2ccccc2F)c1 225611705 CDLHLCZCKVVSAG-UHFFFAOYSA-N 364.511 4.444 0 40 FIAB CCc1nnc2sc(-c3ccc(OCc4ccccc4C)cc3)nn12 226298384 PWJHOUATKQMNDZ-UHFFFAOYSA-N 350.447 4.303 0 40 FIAB CSc1c2n(-c3c(Cl)cccc3Cl)ncn2c(=O)n1C(C)(C)C 226820526 CVQGMNXIVGQPCP-UHFFFAOYSA-N 371.293 4.070 0 40 FIAB O=C(c1ccccn1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257286881 PNLXVULDWRIWMN-SFHVURJKSA-N 367.836 4.291 0 40 FIAB CC1(C)CN(C(=O)Nc2ncc(C3CCOCC3)s2)[C@H]1c1ccncc1 333615739 FONYXHXZPBRMPI-INIZCTEOSA-N 372.494 4.047 0 40 FIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 575617932 SMVQOJDHTNPELI-GOSISDBHSA-N 372.472 4.232 0 40 FIAB CC(=O)N[C@@H](c1nc(-c2ccc(C)c(N3CCCC3)c2)no1)C1CCCC1 582718309 GETQYMVISPRCCR-LJQANCHMSA-N 368.481 4.013 0 40 FIAB COc1ccc2nccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2c1 1889237490 MKYXITBIDKLEFM-UHFFFAOYSA-N 362.414 4.014 0 40 FIAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1 849787 PRWQHVQGILQSEP-UHFFFAOYSA-N 359.838 4.045 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)[C@@H]1CCCO1 952946 SLYNZJVHBWCBMA-HNNXBMFYSA-N 359.447 4.018 0 40 FIAB Nc1c(C(=O)Nc2ccc(Cl)cn2)sc2nc3c(cc12)CCCCC3 1010362 NDBSRPXKRRZLRP-UHFFFAOYSA-N 372.881 4.448 0 40 FIAB CCOC(=O)c1cnc2c(F)cccc2c1Oc1ccccc1C(=O)OC 1392834 MTKPAJPDZLCCTG-UHFFFAOYSA-N 369.348 4.130 0 40 FIAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1 2394828 XGEWZAXIPCXLMG-UUOWRZLLSA-N 367.813 4.426 0 40 FIAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(C)C)cc1 2503545 FPSRQVWNFJYAHE-CXAGYDPISA-N 372.490 4.022 0 40 FIAB CCOP(=O)(OCC)[C@@H](NC(=O)c1cccs1)c1ccccc1 3197521 AKEWZEDBRMIIDI-MRXNPFEDSA-N 353.380 4.443 0 40 FIAB O[C@@H](CNCCC(c1ccccc1)c1ccccc1)COc1ccccc1 3311824 MCNLXNKNZVFOEA-QFIPXVFZSA-N 361.485 4.238 0 40 FIAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1c(Cl)cccc1Cl 3493837 XHGWAKZZHMIHKN-UHFFFAOYSA-N 364.184 4.117 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)[nH]c2c1 4273995 RKTPFZRZXXYKNG-NWDGAFQWSA-N 373.453 4.069 0 40 FIAB O=C(CSc1nc2scc(-c3cccs3)c2c(=O)[nH]1)c1ccc[nH]1 4485394 AWBCOOAKEBKDTG-UHFFFAOYSA-N 373.484 4.016 0 40 FIAB CSc1nc(Oc2ccc(C)c(C)c2)cc(-n2ncc(C(C)=O)c2C)n1 4667736 LVEGSPSAZSYXHZ-UHFFFAOYSA-N 368.462 4.304 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2C)n1C 5209550 SFBOUADRMGLNOY-UHFFFAOYSA-N 367.474 4.294 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 5359133 UUXQSIKMNIGZIX-UHFFFAOYSA-N 371.487 4.325 0 40 FIAB CC(=O)Nc1ccc(C2=NN=C(Nc3cccc(C)c3C)SC2)cc1 5660443 BHMMTMMQEICFHH-UHFFFAOYSA-N 352.463 4.181 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)OCc1ncc(-c2ccccc2)o1 6419861 UNOQCTNHQVSRLL-UHFFFAOYSA-N 353.349 4.187 0 40 FIAB CCOc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1cc(Cl)ccc1O2 6748533 ZFRIHDGMAGBUMG-UHFFFAOYSA-N 354.793 4.186 0 40 FIAB Cc1cc(C)c2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 7055242 QRDOONPIKLQMNQ-UHFFFAOYSA-N 352.868 4.367 0 40 FIAB COc1ccc(OC)c(CSc2nnc(C3CC3)n2-c2ccccc2)c1 7229922 SIOULRPKRVNFOQ-UHFFFAOYSA-N 367.474 4.454 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1 7855179 VNBRQQBFDJKHAI-UHFFFAOYSA-N 365.414 4.254 0 40 FIAB COc1ccccc1Nc1nc(-c2cc(C)n(-c3nnc[nH]3)c2C)cs1 8156065 FPEAFXQWSWTFPC-UHFFFAOYSA-N 366.450 4.088 0 40 FIAB Cc1cc(NC(=O)Cc2ccccc2)c(C)cc1I 8333949 DIZWCEPZTXJWAD-UHFFFAOYSA-N 365.214 4.089 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OC1(CCCC1)O2 8395029 QDXFLXATYWYMJL-UHFFFAOYSA-N 365.429 4.234 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc2cccnc12 10425699 XWNGFUUXQOLJTE-UHFFFAOYSA-N 370.334 4.242 0 40 FIAB Cc1csc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 10555957 MRDXVMRHMDTMQV-QGZVFWFLSA-N 364.426 4.158 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)c2ccccc2)n1 11057574 UQTHGQIGUWAIMR-UHFFFAOYSA-N 355.394 4.160 0 40 FIAB O[C@@H](CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 11530262 ONOVJKJKHVPVJG-KRWDZBQOSA-N 355.438 4.245 0 40 FIAB C[C@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cn1 11713976 AKSGVUHARYCGIB-JTQLQIEISA-N 373.762 4.115 0 40 FIAB O=C(NC1CCN(C[C@H](c2ccccc2)C2CCCCC2)CC1)C1CC1 12188794 NRAZFRMEXQVDHT-JOCHJYFZSA-N 354.538 4.341 0 40 FIAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(F)c(F)c1 12763557 ZOUHLNGTXXCDOM-HNNXBMFYSA-N 358.432 4.442 0 40 FIAB Cc1cc(C)c(NC(=O)CCN2C(=O)CSc3ccccc32)c(Cl)c1 12981094 YTDUERZKIMCBBD-UHFFFAOYSA-N 374.893 4.424 0 40 FIAB CCc1cc2c(CN(C)Cc3ccc(Cl)cc3)cc(=O)oc2cc1O 13059016 SQHOLKSYVBEFTE-UHFFFAOYSA-N 357.837 4.346 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(CC(=O)O)cc1 13439478 QHJIVXGLGBRFNL-SNVBAGLBSA-N 368.216 4.027 0 40 FIAB O=C(/C=C/c1ccco1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 14185521 LPCKZQGZNRTVDI-SOFGYWHQSA-N 364.323 4.299 0 40 FIAB CN1CCN(C(=O)c2cccc(Cl)c2Cl)c2nc3ccccc3nc21 14900964 GHBCHZUCXZENMD-UHFFFAOYSA-N 373.243 4.033 0 40 FIAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2c(c1)Cc1ccccc1-2 15982570 WUPIIRVADMPTCY-UHFFFAOYSA-N 357.335 4.112 0 40 FIAB CCOc1ccc(NC(=O)Cc2csc(Nc3ccccc3)n2)cc1 16850088 PARIXNUHAKKWGA-UHFFFAOYSA-N 353.447 4.467 0 40 FIAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)C2CCCCC2)n1 19290038 ZCFJSGBEFOKEPS-LJQANCHMSA-N 352.482 4.116 0 40 FIAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCC3)c2c1 20380834 FUTVZKYIZQPAMD-UHFFFAOYSA-N 366.486 4.230 0 40 FIAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(C)c(C)c2)cc1 20899420 FZTUPSQWDCNMIP-UHFFFAOYSA-N 351.406 4.395 0 40 FIAB COc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)cc1OC 22518722 BJJPYHUHNGIAPK-UHFFFAOYSA-N 371.380 4.453 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1c(-c2ccccc2)nc2sccn12 25739614 LKXJKQFSLGACMN-CQSZACIVSA-N 363.442 4.469 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nc2ccccc2n1Cc1ccccc1 27923272 MBEOENNCYXVOSE-UHFFFAOYSA-N 359.404 4.405 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1cccc(N2CCCC2=O)c1 28912139 UABUCLPKQVQZSN-CQSZACIVSA-N 371.868 4.214 0 40 FIAB Cc1ccc(-c2cc(CSCc3cc(=O)n4ccsc4n3)on2)cc1 30524218 NKFSAWCIPCEXGK-UHFFFAOYSA-N 369.471 4.153 0 40 FIAB CC(C)N(C(=O)[C@H](C)Sc1nc(NC2CC2)c2ccccc2n1)C(C)C 32841197 UXAZWQSADDXCFA-AWEZNQCLSA-N 372.538 4.330 0 40 FIAB Cc1cc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)no1 32842947 MQTHNVQPKLITQB-UHFFFAOYSA-N 363.295 4.441 0 40 FIAB CCc1nc(C)c(C(C)=O)c(SCC(=O)c2c(C)[nH]c3ccccc23)n1 32905318 CTVILBSXIBSDAG-UHFFFAOYSA-N 367.474 4.315 0 40 FIAB COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 33466718 WVQJDUACBLXETL-UVTDQMKNSA-N 359.381 4.237 0 40 FIAB Cc1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)c2cc(C)ccc2C)C(C)C)c1 36062701 HSOGSXNBVWPQCD-WIYYLYMNSA-N 366.505 4.244 0 40 FIAB O=C(OCc1cc(-c2cccs2)on1)c1ccc(Cn2ccnc2)cc1 36662599 WHWOUWLIXFGHDE-UHFFFAOYSA-N 365.414 4.005 0 40 FIAB Cc1ccc(NC(=O)CSC2=N[C@@H]3Nc4ccccc4[C@H]3N=N2)c(C)c1 38536840 QVZNVWARXNVKHM-MSOLQXFVSA-N 365.462 4.290 0 40 FIAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)c1nnnn1-c1ccccc1 40127843 SOFGGMACFWDJHE-GFCCVEGCSA-N 367.409 4.310 0 40 FIAB CNC(=O)c1ccc(NC(=O)N(C)[C@H](C)c2cccc(Cl)c2)c(C)c1 47541665 CIJJXNRTTNXYEY-CYBMUJFWSA-N 359.857 4.233 0 40 FIAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Cn2cccn2)CC1 62017688 VBNWHLDHVVYLPH-UHFFFAOYSA-N 373.456 4.060 0 40 FIAB COc1ccc2cc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)[nH]c2c1 65577788 PGUIQLGIMOQISY-UHFFFAOYSA-N 367.424 4.032 0 40 FIAB CC(C)(C)c1ccc(Cn2nc(Br)nc2Br)cc1 71978809 MHUPWGVCWFVSIB-UHFFFAOYSA-N 373.092 4.149 0 40 FIAB CSc1ccc(C)c(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)c1 78680436 GNUDZNLMIBVQOQ-UHFFFAOYSA-N 352.463 4.167 0 40 FIAB O=C(c1cc(C2CC2)on1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613839 BPIRDJUACVEIIQ-MRXNPFEDSA-N 367.232 4.073 0 40 FIAB CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)O 91690902 UOTJJWYWCUMQPY-UHFFFAOYSA-N 356.350 4.134 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc(CC)no3)cc2)c1 96346751 NLZLYSNSBQCGMT-UHFFFAOYSA-N 351.406 4.340 0 40 FIAB Cc1ccc(C)c(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)c1 100423608 LHDQWAIRSMDBRU-ROUUACIJSA-N 369.534 4.378 0 40 FIAB O=C(NCCOc1ccc(-c2ccccc2)cc1)[C@@H]1OCCc2ccccc21 141563934 XOGAQUACVWCGRJ-HSZRJFAPSA-N 373.452 4.163 0 40 FIAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)c(O)c(C)c3)N21 222654146 BMPKATLNICCAHK-BPQIPLTHSA-N 353.491 4.383 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)COc1ccc(C)cc1 222999246 NIKMMOFMNPCNMJ-NQIIRXRSSA-N 355.478 4.353 0 40 FIAB COc1cc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1C 223223745 KNGQPXFLLKAGMH-UHFFFAOYSA-N 374.289 4.097 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1ccc(C)c(C)c1 224453078 MXRTXYQGTFVZAQ-NRFANRHFSA-N 355.478 4.273 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1cccc(OC)c1 224584440 JBCATNNBQDFYTE-HNNXBMFYSA-N 357.450 4.201 0 40 FIAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)ccc1F 224913832 MOOKKNNYEDUNGK-OALUTQOASA-N 366.465 4.045 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(C)c2C)c(I)c1 225011152 DBMPTDAQSYUJGT-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB Cc1cccnc1NC(=S)NCCSCc1ccc(Cl)cc1 225304276 HSTHJEDXPIPXSW-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1Br 225695771 UHTSNZKBBYZJLX-UHFFFAOYSA-N 360.251 4.345 0 40 FIAB CCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225876780 BNMMRHLSJYZNBS-UHFFFAOYSA-N 374.868 4.129 0 40 FIAB NC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 226333675 UQIUKNSDJSHQLH-SOFGYWHQSA-N 366.642 4.180 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccc(C)c(-c2ccc(C(=O)O)o2)c1 226351095 LPVXUKXEMOIJSD-UHFFFAOYSA-N 374.462 4.347 0 40 FIAB COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)C(C)C)C3)c2)c1 257283131 OWVZUPGFYRPTKL-SFHVURJKSA-N 352.478 4.428 0 40 FIAB CC(C)c1cc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc(O)n1 273606710 UHYPCLHBNUODCD-IEBWSBKVSA-N 372.440 4.042 0 40 FIAB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C/[N+](=O)[O-])cc1 408530432 FJHGQARTKDNHQU-CMDGGOBGSA-N 362.179 4.224 0 40 FIAB COCCCN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 409234614 LZVFGHRKTJZJLH-GZTJUZNOSA-N 358.463 4.295 0 40 FIAB O=C(Nc1cccc(-c2nc(-c3cccnc3)no2)c1)c1ccc(F)cc1 521355257 JKVBRLCXYYTGFZ-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB C[C@@H](NC(=O)N1CCO[C@H](c2cccc(Cl)c2)[C@H]1C)c1cscn1 661636080 GBCRBNNFGRSVRM-HSMVNMDESA-N 365.886 4.029 0 40 FIAB CC(=O)N1c2ccccc2C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 680689515 CFHNGJVSSOGBIO-KRWDZBQOSA-N 371.799 4.103 0 40 FIAB CC[C@H]1CCc2nc(O)c(C(=O)NCc3ccc4sccc4c3)cc2C1 1570046253 RWXDITMFDOBOQW-ZDUSSCGKSA-N 366.486 4.447 0 40 FIAB COCCNC(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 2037875289 NQQAPFXTUWUUAL-HSZRJFAPSA-N 367.489 4.123 0 40 FIAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 887485 RNHKTEHEPDNBEV-CABZTGNLSA-N 355.809 4.216 0 40 FIAB C[C@@H]1CCc2c(sc3ncn([C@H](C)C(=O)OC4CCCCC4)c(=O)c23)C1 949481 KRHJXDLPNAMSCS-CHWSQXEVSA-N 374.506 4.020 0 40 FIAB Clc1ccc(N2CCN(c3nc4ccccc4nc3Cl)CC2)cc1 984058 XLLHYRSIIZRTNP-UHFFFAOYSA-N 359.260 4.263 0 40 FIAB O=C(Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2)c1ccc(F)cc1 1326406 OWETVXLIBZHANX-AWEZNQCLSA-N 366.417 4.447 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1 1346928 UOQMMSKIEULLSM-GOSISDBHSA-N 355.413 4.078 0 40 FIAB CCOc1ccc(Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1 1350567 STFBYHCCYFNPAX-UHFFFAOYSA-N 353.447 4.467 0 40 FIAB O=[S@](Cc1cc(Cl)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 1387494 QVXIPUOZCHJVHB-QHCPKHFHSA-N 364.257 4.153 0 40 FIAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 1396418 ZHXANULKTCTRKO-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CC(C)CO[C@H](C)OC[C@@H](C)Cc1cc2c(cc1Br)OCO2 1848588 BPJPRYBHLYSZHZ-STQMWFEESA-N 373.287 4.392 0 40 FIAB COc1ccc(C(=O)COC(=O)c2sc(-c3ccccc3)nc2C)cc1 1926062 CXJHBJRIESGWEG-UHFFFAOYSA-N 367.426 4.167 0 40 FIAB CC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN1CCCC1 2037161 XPSOFSIDLMRECY-CVDCTZTESA-N 351.490 4.420 0 40 FIAB in-man CCCCCOC(=O)c1c(N)n([C@H](C)CC)c2nc3ccccc3nc12 2234597 OPKNQNSHVNVVMC-CYBMUJFWSA-N 354.454 4.485 0 40 FIAB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N3CCOCC3)c2c1 2348335 GFBCRAUUMBSFCO-UHFFFAOYSA-N 366.848 4.336 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1 3230243 XVCRVBNDLGOWSW-QGZVFWFLSA-N 374.440 4.464 0 40 FIAB Cc1ccc(Sc2c(C)nn(C(=O)c3ccc4c(c3)OCO4)c2C)cc1 3231025 ORIMCPZGOHVYAZ-UHFFFAOYSA-N 366.442 4.377 0 40 FIAB O=C(COC(=O)c1cccc2ccccc12)c1ccc(OC(F)F)cc1 3255535 YYAABWLYCVJFFA-UHFFFAOYSA-N 356.324 4.481 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCCCC2 3343661 ANWCNDRNAYPPTO-UHFFFAOYSA-N 356.491 4.106 0 40 FIAB Cc1c(C(=O)Nc2sccc2C(N)=O)oc2c1ccc1ccccc12 3415238 KUXKBNHTBMWNIG-UHFFFAOYSA-N 350.399 4.307 0 40 FIAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)C(C)C)s2)cc1C 3536504 XCGMVGZMOWMXST-ZDUSSCGKSA-N 364.540 4.151 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(C)n2-c2ccccc2)c(C)c1 4959753 ZOHFSEBGYXISCO-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 5260154 WVVLLNNMHCQBBM-UHFFFAOYSA-N 373.474 4.285 0 40 FIAB Cc1[nH]c(SCC(=O)N(C)c2ccccc2)nc1Cc1ccccc1 5312525 UTDGUGZGIJKIDB-UHFFFAOYSA-N 351.475 4.064 0 40 FIAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N(C)c1ccccc1 5891438 KQOQWDBPXKOPQF-CYBMUJFWSA-N 372.881 4.064 0 40 FIAB CC(=O)c1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1 6296723 NVSBHGMQWILBOU-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@H]1CCCc2ccccc21 6436729 IZSIVEMYOILCTO-SFHVURJKSA-N 369.486 4.134 0 40 FIAB Cc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 6476202 GEDAYSSRCLQKKE-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c1 6793052 GOOYIXGKTQHESM-UHFFFAOYSA-N 352.381 4.449 0 40 FIAB CCCc1ccc(C(=O)CSc2nncn2-c2ccccc2OC)cc1 6821181 IPTHQLAHRKEQFU-UHFFFAOYSA-N 367.474 4.203 0 40 FIAB CCCCNCc1cc(Br)cc(Br)c1OC 7261649 UMEBXVDICAQFNK-UHFFFAOYSA-N 351.082 4.110 0 40 FIAB CCCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)s1 7397669 JHOFLDRSYJESIU-QMMMGPOBSA-N 374.944 4.208 0 40 FIAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1cccs1 8134468 VOLGLMXUUWIHON-GFCCVEGCSA-N 368.487 4.099 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)cc1 8722858 PXDAVNYKXLGVTC-NRFANRHFSA-N 369.461 4.385 0 40 FIAB COc1ccccc1-n1nc(CSc2nc3ccccc3s2)cc1O 9939795 DKKNTEAPXRZTMU-UHFFFAOYSA-N 369.471 4.489 0 40 FIAB C[C@H](NC(=O)c1cccc2ncccc12)c1ccccc1Br 10139856 QPQZMUNHEYWNSX-LBPRGKRZSA-N 355.235 4.488 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1 10514307 SWGRWQLOYGXCKW-UHFFFAOYSA-N 357.353 4.017 0 40 FIAB C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(Br)c1 12474152 PDIXGTGFDXWHMR-IHRRRGAJSA-N 354.288 4.257 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Sc2nccn2-c2ccccc2)cc1 12773819 NIBPWGWBVDCKOR-AWEZNQCLSA-N 353.447 4.000 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 12905966 CROVZNAJZIVTGC-UHFFFAOYSA-N 371.343 4.063 0 40 FIAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cccc(Br)c1 12999613 WVLXWJZQDUFZJH-NSHDSACASA-N 365.296 4.068 0 40 FIAB CC(C)n1ncc2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cnc21 13000753 LGOOMGZVXKQDKS-UHFFFAOYSA-N 372.856 4.462 0 40 FIAB CC(=O)c1ccc(NC(=S)/N=c2\sccn2Cc2ccccc2)cc1 18163139 XLHUJCWMPPBBOO-VZCXRCSSSA-N 367.499 4.098 0 40 FIAB CC1(C)C[C@H](NC(=O)c2cccc(Nc3ncccn3)c2)c2ccccc2O1 19716373 GMLZCIIKYRKKQC-SFHVURJKSA-N 374.444 4.252 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(OC)cc2)cc1 20042932 QPAITJGLXMIFAE-YWZLYKJASA-N 357.450 4.129 0 40 FIAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3)nnc2c1-c1ccccc1 20633734 PKCCMPIDVAKZBM-UHFFFAOYSA-N 371.444 4.223 0 40 FIAB O=C(CCCc1cn(CN2CCCCCC2)c2ccccc12)N1CCCC1 20646981 DWQGZNVJGFEHDI-UHFFFAOYSA-N 367.537 4.420 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)Cc3c(C)noc3C)c2cc1C(C)C 21493432 HCZZGDYLLZOXLG-UHFFFAOYSA-N 369.417 4.116 0 40 FIAB CCn1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 22234760 WVHJIYVRNCGUPS-AWEZNQCLSA-N 368.864 4.474 0 40 FIAB COc1ccc(-c2cc3nc(C)cc(Nc4ccccc4)n3n2)cc1OC 23118825 NKUCHUUQCSUKPT-UHFFFAOYSA-N 360.417 4.466 0 40 FIAB CCOc1ccc(-c2noc(-c3c[nH]nc3-c3ccccc3)n2)cc1OC 23125441 VVEVIBSJZCYKJM-UHFFFAOYSA-N 362.389 4.201 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@H](Nc1cccc(CO)c1)c1ccccc1 25427135 FQFISPVYCURSBX-HXUWFJFHSA-N 350.393 4.110 0 40 FIAB O=C(Nc1ccncc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 25600200 UMZQIHBHCBQWDH-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc2cc(F)ccc2[nH]1 32776888 AFFQWDNSSMHOLN-QGZVFWFLSA-N 354.381 4.117 0 40 FIAB O=C(NCc1ccc(N2CCCC2)nc1)Nc1ccc(Cl)c(Cl)c1 32779581 IWMZHKVWUSILBI-UHFFFAOYSA-N 365.264 4.310 0 40 FIAB Cc1cccnc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 32870452 AQEHFWBPSYTPFL-UHFFFAOYSA-N 362.364 4.293 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)N3CCC[C@@H]3c3ccccc3)CC2=O)c1C 32883770 SYTWENXRDGMSDB-TZIWHRDSSA-N 362.473 4.020 0 40 FIAB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)NC1CC1 35590137 USVYKIJBSFEOIN-UHFFFAOYSA-N 374.413 4.133 0 40 FIAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Nc1c(C)nn(-c2ccccc2)c1C 36396538 DROLCUYBVAGJBM-AEFFLSMTSA-N 354.498 4.081 0 40 FIAB CCCCN1C(=O)S/C(=C\Nc2ccc(Br)cc2)C1=O 36636206 PYRNNHSXVQTEPF-XFXZXTDPSA-N 355.257 4.198 0 40 FIAB O=[S@@](CCSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 47221574 BKPIBJJLXSUSIB-RUZDIDTESA-N 369.471 4.118 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)CSc1ccccc1Cl 47320685 ZSBSBHFONSHYBN-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB Cc1cc(C)cc(OCCC(=O)Nc2ccc(Oc3ncccn3)cc2)c1 48201677 HPJJEGBKZKETGA-UHFFFAOYSA-N 363.417 4.293 0 40 FIAB O=C(CCc1ccccc1)NC1CCN([C@H]2CCCc3ccccc32)CC1 57985538 QYIXRLUGGVTATB-QHCPKHFHSA-N 362.517 4.277 0 40 FIAB C[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)[C@@H]1CCCO1 58411733 SWSIOXMLPAONMW-VFNWGFHPSA-N 366.436 4.126 0 40 FIAB O[C@H](CNCC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 58440354 WCQMDAJOESWOOE-QGZVFWFLSA-N 350.245 4.092 0 40 FIAB C[C@H](OC(=O)CCCOc1ccc(F)cc1)c1nc2ccccc2n1C 72307921 IYPOYLXELHREIA-AWEZNQCLSA-N 356.397 4.176 0 40 FIAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349140 LLRIADZHZAKNDW-GOSISDBHSA-N 361.420 4.303 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c2ccccc12 72414280 RIMSRUJQSWDBOV-UHFFFAOYSA-N 364.426 4.197 0 40 FIAB O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 75165975 OCWDSBUMWJLWAD-JCGIZDLHSA-N 360.429 4.158 0 40 FIAB O=c1cc(CN2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)occ1O 84393539 KQAPFRAFBWVCNE-OAHLLOKOSA-N 353.340 4.091 0 40 FIAB CC[C@@H](C)NC(=O)CCNC(=O)c1cc(C)ccc1SC1CCCC1 95463663 PMYBHFTZUCMSLM-OAHLLOKOSA-N 362.539 4.064 0 40 FIAB CCN(C(=O)Nc1ccc(C)cc1F)[C@H]1CCN(Cc2ccccc2)C1 95942379 AQDNJHMQLASVHY-SFHVURJKSA-N 355.457 4.262 0 40 FIAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C)n1CCOC 96037241 VHAWZWJNJKRGOF-UHFFFAOYSA-N 355.482 4.042 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N(Cc1cnc2ccccn12)C1CC1 96097120 QLIMTUOTDQMGKZ-UHFFFAOYSA-N 359.351 4.158 0 40 FIAB CO[C@H]1CCCN(c2ccc(NC(=O)NCCCc3ccccc3)cc2)C1 96122511 PJWRDLGFKYETAO-NRFANRHFSA-N 367.493 4.056 0 40 FIAB CO[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1cccc(F)c1 96388242 RPROQKGHMATNRY-QGZVFWFLSA-N 365.832 4.140 0 40 FIAB Cc1cc2nc3c(nc2cc1C)[C@]1(C)CC[C@]3(C(=O)NC(C)C)C1(C)C 100944837 DFBZDTHKHYLLKA-VXKWHMMOSA-N 351.494 4.100 0 40 FIAB O[C@H](COCC[C@@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 104492912 RDXQFUZNRUQJIT-YCAMKHIRSA-N 371.565 4.145 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(OC)c1 219310982 CDIGFLCZNYZAQZ-AEFFLSMTSA-N 371.477 4.355 0 40 FIAB COC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224236483 ODDAPJYLPXIAJN-MRXNPFEDSA-N 371.477 4.162 0 40 FIAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)c1ccccc1C 226356096 FIWNSPQIUUMNRF-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 227157222 GXUIPYQFPBIASF-UHFFFAOYSA-N 363.255 4.463 0 40 FIAB O=C(c1ccccc1C(F)(F)F)[C@@H](Br)CBr 382735170 WPGFBBUTQGBCHY-QMMMGPOBSA-N 359.967 4.047 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cn1 390825870 KKSOBVGOPTZATF-UHFFFAOYSA-N 358.401 4.047 0 40 FIAB CCCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1 408748610 BCDZUAMKSGWGND-GREKMHCPSA-N 370.499 4.110 0 40 FIAB CC(=O)Nc1c(-c2cccc(Br)c2)cnn1Cc1ccccc1 408954041 RCNSFCOLKRVFBA-UHFFFAOYSA-N 370.250 4.319 0 40 FIAB O=C(O)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1 408992953 VEUIVWQOUWKTCW-UHFFFAOYSA-N 354.431 4.421 0 40 FIAB O=C1CC[C@]2(CCCN(CCc3ccccc3)CC2)N1Cc1ccccc1 585100325 KFEGGRCSPVSPKG-DEOSSOPVSA-N 362.517 4.276 0 40 FIAB O=C(CCc1cccc(Cl)c1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585149130 ZVMLSQXTNOZTPP-GOSISDBHSA-N 355.865 4.224 0 40 FIAB Cc1ccc(CCN[C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)cc1C 585288812 AICXRLREFZMWTO-MDNUFGMLSA-N 353.506 4.105 0 40 FIAB Cc1ccc([C@H]2COCCN2C(=O)NCc2csc3ccccc23)o1 604895442 QJELBFNRHSXXBI-MRXNPFEDSA-N 356.447 4.086 0 40 FIAB O=C(C1CCC(F)(F)CC1)N1CC(Oc2cccc(Cl)c2Cl)C1 1300419104 MOLXECGMJAVQJO-UHFFFAOYSA-N 364.219 4.409 0 40 FIAB CCc1ccc(-c2n[nH]c(SC[C@@H](Cc3ccccc3)OC)n2)cc1 1559331153 FAAHEYPGCXDXHM-GOSISDBHSA-N 353.491 4.384 0 40 FIAB CCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(OC)cc2)s1 792833 GSMIHPYVKHXYFE-UHFFFAOYSA-N 353.447 4.189 0 40 FIAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccccc4)c(=O)c23)cc1 937685 KIIJKQOXZNJQGD-UHFFFAOYSA-N 360.438 4.316 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 955492 GYVVNEKEOMYYBL-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB Cc1cc(C)c2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2c1 1343007 PNNKIOCGQYSOIH-UHFFFAOYSA-N 351.431 4.172 0 40 FIAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 2659670 LUAZOKVFAGOZIF-LBPRGKRZSA-N 356.447 4.056 0 40 FIAB CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccccc1 2706271 GPCKLKYATYXIQJ-UHFFFAOYSA-N 371.535 4.469 0 40 FIAB Cc1ccc(OCn2ccc(C(=O)Nc3cc(C)ccc3F)n2)c(C)c1 2796397 XAIYSXFTFXXLGW-UHFFFAOYSA-N 353.397 4.236 0 40 FIAB COc1cccc(CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 3584041 LISBSICYWRGFSB-UHFFFAOYSA-N 353.249 4.073 0 40 FIAB Cc1ccccc1CSC1=NCCN1C(=O)c1cc2ccccc2o1 4120048 GOVIHBULBIAEAW-UHFFFAOYSA-N 350.443 4.486 0 40 FIAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OCC(=O)OC(C)C)cc12 4340593 OXHNRTLHYYWENH-UHFFFAOYSA-N 352.386 4.099 0 40 FIAB biogenic O=C1N2c3cc(Cl)ccc3Sc3cccc(c32)[C@]1(O)C(F)(F)F 5065953 UHCQUNKLEKIMHB-CQSZACIVSA-N 357.740 4.233 0 40 FIAB COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2OC)c(O)c1 5143963 JYWUNGHMECANFN-UHFFFAOYSA-N 364.323 4.485 0 40 FIAB O=C(COc1cccc(Cl)c1)NCCSc1ccc(Cl)cc1 5280824 IQINBOUDTVXBSV-UHFFFAOYSA-N 356.274 4.281 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c(OCC)c1 5464807 HLXYDHJZHZUIHD-BOPFTXTBSA-N 371.820 4.482 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Cl)cc1 6056638 UROXPKZBKQSFPD-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC 6224208 SGGPCQWSRYAYMP-RDTXWAMCSA-N 356.422 4.188 0 40 FIAB COC[C@@H](C)n1c(SC/C=C/c2ccccc2)nc2ccccc2c1=O 6559330 DRONAGJOTCOKIB-YCABEKBOSA-N 366.486 4.409 0 40 FIAB COc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1OC 6866149 NRHWFASKKQOANU-NVNXTCNLSA-N 357.793 4.010 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1ccc(F)c(F)c1 7702336 SQUQLZDXUJIALK-QGZVFWFLSA-N 365.426 4.094 0 40 FIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cn2ccccc2n1 7723722 AUGTVOYHHHOWPH-UHFFFAOYSA-N 354.822 4.364 0 40 FIAB COc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC 8279244 RJTDEMFAKZAIFQ-LBPRGKRZSA-N 356.447 4.147 0 40 FIAB Cc1cccc(OCc2nn3c(CSc4ccccc4)nnc3s2)c1 8393212 ALBSNPVNKAPPCG-UHFFFAOYSA-N 368.487 4.366 0 40 FIAB O=C(NCCc1cccs1)c1ccc2nc(-n3cccc3)sc2c1 9486514 XTELGIDCVPZXRH-UHFFFAOYSA-N 353.472 4.121 0 40 FIAB CC1CCN(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 10540261 LKZZXLIKSZEXQU-HNNXBMFYSA-N 354.947 4.059 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1cc2ccccc2cc1O 10874799 GGBDKKHWCIVZPJ-UHFFFAOYSA-N 350.399 4.192 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC=CCC3)n2)c(F)c1 10993770 VKBUTRAPTRSEGO-GFCCVEGCSA-N 359.426 4.202 0 40 FIAB O=C(CNc1ccccc1Br)Nc1ccc(OC(F)F)cc1 11621211 OOEFZIPDPVVGMX-UHFFFAOYSA-N 371.181 4.101 0 40 FIAB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@H]1c1ccsc1 12551877 IWGXSNABIZGMNB-KRWDZBQOSA-N 372.515 4.248 0 40 FIAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 12601773 NNTNZUYWYCOZSI-RDPWEWGOSA-N 361.445 4.339 0 40 FIAB CCCCNc1nnc(SCC(=O)N[C@H](C)c2ccccc2C)s1 12745470 CLVCPGCTKPCRFX-CYBMUJFWSA-N 364.540 4.028 0 40 FIAB Cc1cc(C)c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c(Cl)c1 12755822 CFXCLBOFMGWMHA-UHFFFAOYSA-N 356.853 4.265 0 40 FIAB Cc1ccc(CCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)c1 12765284 GLXLZCJWSHJJND-UHFFFAOYSA-N 365.473 4.063 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)c1C 12817779 LGEFVBOBBIVSGR-HIGJEIRPSA-N 371.477 4.165 0 40 FIAB Cc1cnc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cn1 12858580 BROLKEHNDCEPQX-UHFFFAOYSA-N 352.375 4.014 0 40 FIAB COc1cc2cc(CNc3c(C)cc(C)cc3C)c(=O)[nH]c2cc1OC 13561384 UGTKEAKZYTXZTP-UHFFFAOYSA-N 352.434 4.083 0 40 FIAB CC1(C)C[C@H](NS(=O)(=O)Cc2cccc(Cl)c2)c2ccccc2O1 13612382 DPLKVGBCUKXAQT-INIZCTEOSA-N 365.882 4.062 0 40 FIAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnn2-c1nc2ccccc2s1 14164289 IAMMKMMOVWSKLD-LBPRGKRZSA-N 361.426 4.100 0 40 FIAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CC=CCC1 15318272 RCXCMQYXPUEVEI-CQSZACIVSA-N 359.857 4.483 0 40 FIAB CCc1nc2sc([C@@H](c3ccccc3F)N3CCC[C@@H](C)C3)c(O)n2n1 16690037 SNCTYSFMSVVDKV-MLGOLLRUSA-N 374.485 4.019 0 40 FIAB O=C(N1CCC(Cc2ccccc2)CC1)C1(c2ccccc2)CCOCC1 16985268 MPVBEBGTTZKTJM-UHFFFAOYSA-N 363.501 4.216 0 40 FIAB biogenic O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(=O)O)c(Cl)c1 20151191 IXBPFAJKLRAPOY-UHFFFAOYSA-N 356.230 4.422 0 40 FIAB CSc1nccn1-c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 20275356 DZDHVCLYBFDKDU-UHFFFAOYSA-N 354.332 4.209 0 40 FIAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 20611965 SUFMPCPXSUTYQH-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 21786130 WFHUYJPUBHOYPZ-UHFFFAOYSA-N 356.765 4.019 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3F)cc(C3CC3)nc21 23130865 CWQILJFKFGMXNX-UHFFFAOYSA-N 356.376 4.420 0 40 FIAB C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N(C)C 26568118 FIMSWLALFLHTCT-JTQLQIEISA-N 361.467 4.066 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)CCC(=O)c1ccc(C)c(C)c1 27065903 GUXZZIMMQXDNJR-UHFFFAOYSA-N 351.446 4.254 0 40 FIAB CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 27584147 IAZIYCRCNGOEJX-SFHVURJKSA-N 372.534 4.494 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)CN(C)[C@H]1CCc2ccccc21 29810638 LMJIMYOJVOMEEH-IBGZPJMESA-N 360.860 4.057 0 40 FIAB O=c1c2ccc(-c3ccc(Br)cc3)nc2[nH]n1-c1ccccc1 32096447 FEIOPRWVTWDSSY-UHFFFAOYSA-N 366.218 4.143 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(c2ncccn2)C1 32451285 UDOOEGUKBHFDBK-QGZVFWFLSA-N 374.444 4.124 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCOc2cccc(Cl)c2)cc1F 32714393 WXBRJTOHUIILNN-LBPRGKRZSA-N 351.805 4.134 0 40 FIAB CCOc1ccc(OCCNC(=O)c2occc2-c2ccccc2)cc1 32787751 JEDPTFJJYYEJBQ-UHFFFAOYSA-N 351.402 4.154 0 40 FIAB Fc1ccc(-c2csc3ncnc(N4CCN5CCCC[C@@H]5C4)c23)cc1 32823951 AHCWRVJCYXMWDS-MRXNPFEDSA-N 368.481 4.172 0 40 FIAB CCc1sc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)cc1C 32898894 KZBFUWQASBLBCL-UHFFFAOYSA-N 357.475 4.060 0 40 FIAB Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3C)cc2)n1 33078124 SKIJFHAGFDPING-UHFFFAOYSA-N 361.449 4.155 0 40 FIAB O=C(NC1CCCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 33927673 BVNZHKPFHKZIJR-CYVLTUHYSA-N 368.502 4.358 0 40 FIAB O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCc2ccccc21 39772970 BFIPIRCGNYDUPJ-UHFFFAOYSA-N 354.881 4.141 0 40 FIAB CC[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 40120561 ZDTZTVRRWAHQGA-JTQLQIEISA-N 369.343 4.471 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cn1 40142454 ZUPUAABQAMBBJV-UHFFFAOYSA-N 362.433 4.367 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccccc2Br)C1 40287649 HNGQWHIWHWQONM-CYBMUJFWSA-N 369.222 4.153 0 40 FIAB Cc1ccc(C(=O)c2cccc(I)c2)cc1Cl 43210093 AWMIVVOVTUGGDG-UHFFFAOYSA-N 356.590 4.484 0 40 FIAB Cc1cc2cc(NC(=O)c3nn(C(C)C)c(=O)c4ccccc34)ccc2[nH]1 43844928 ORKWSXDFMBEZCY-UHFFFAOYSA-N 360.417 4.019 0 40 FIAB COC(=O)/C=C/c1ccc(OCc2c(F)cccc2Cl)c(OC)c1 45869665 LQQFDPAQBJEWQR-VQHVLOKHSA-N 350.773 4.253 0 40 FIAB O=C(Nc1cccnc1N1CCCC1)c1csc(-c2ccsc2)n1 47225946 WSYNBBVGFPJAAQ-UHFFFAOYSA-N 356.476 4.119 0 40 FIAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCc2ccccc2C1 48256124 ULJNISKOODXOBN-UHFFFAOYSA-N 351.450 4.180 0 40 FIAB NC(=O)c1cccc(-c2nc(-c3sccc3Br)cs2)c1 48354293 APLYOASWSJPCDR-UHFFFAOYSA-N 365.277 4.400 0 40 FIAB COc1ccc(C(=O)CSc2nc(C)c(C)n2CC(C)C)cc1F 48354416 SRAZUIITPJJWIX-UHFFFAOYSA-N 350.459 4.279 0 40 FIAB COC(=O)Nc1ccc(OC(=O)c2sc3nc(C)nc(C)c3c2C)cc1 51881849 VDOQONJMDWPMLL-UHFFFAOYSA-N 371.418 4.014 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1O 57316187 IMORHIJVHWNDQJ-ACCUITESSA-N 364.426 4.179 0 40 FIAB O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(Cl)cc1 57787309 DOJUIIRIUBIWPW-UHFFFAOYSA-N 357.866 4.221 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 57995650 LAKCIXXVOWEKKP-VKUYVZBCSA-N 374.387 4.424 0 40 FIAB C[C@@H](NCc1ccc(Oc2cc(F)cc(F)c2)cc1)c1nnc2n1CCC2 65890176 QXEGGQIYVTVMMO-CYBMUJFWSA-N 370.403 4.146 0 40 FIAB Cn1cc(CN2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 72349954 NBJDWOUCJATGIC-SFHVURJKSA-N 350.441 4.001 0 40 FIAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)c2cccnc2)n1 72357802 SOSFVFDNMWDIKA-NRFANRHFSA-N 373.456 4.053 0 40 FIAB COc1ccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 72390077 OSQUWYWXPCTAJM-HNNXBMFYSA-N 355.463 4.186 0 40 FIAB Cc1ccc(NC(=O)NC2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)cc1 84155150 GPPSWYDEOMIVRI-QZTJIDSGSA-N 351.494 4.273 0 40 FIAB C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccccc1C(F)(F)F 84660519 VDCFPMKPHOECGZ-BXUZGUMPSA-N 369.412 4.008 0 40 FIAB COc1cccc2cc(CNCc3ccnc(N4CCCCC4)c3)oc12 89471578 SYOVPRNFDHKZCS-UHFFFAOYSA-N 351.450 4.117 0 40 FIAB Cc1cccc(NC(=O)N2CC[C@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)c1 96075036 OPDPJNDPSYVYTF-NQIIRXRSSA-N 367.424 4.017 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102614751 GKYRNMLGRCUZSL-IQGAEYHTSA-N 369.461 4.098 0 40 FIAB N=C1N=C(c2ccccc2)/C(=N/Nc2ccc(Br)cc2)S1 110234962 NVXBKSVPXMHKCP-QSOMOFNKSA-N 359.252 4.345 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(C(=O)OC)ccc1C 216434100 KAHSFVDCNNDFHV-SFHVURJKSA-N 355.434 4.195 0 40 FIAB CCc1ccc(OCC(=O)NCCSCc2cccc(Cl)c2)cc1 218953625 RREVYBHPDRVWKK-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224164674 WAMUVHCKKVQLFD-SFHVURJKSA-N 365.832 4.140 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225052591 OEJGDBSQYOZHJJ-ZDUSSCGKSA-N 370.474 4.129 0 40 FIAB COC(=O)c1cc(NC(=S)NCCC2=CCCCC2)ccc1Cl 225354912 DKQLVQKNAUQLMW-UHFFFAOYSA-N 352.887 4.304 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(F)cc1)CC(C)(C)O2 225681965 SLPQSWJARQPRCQ-MRXNPFEDSA-N 360.454 4.423 0 40 FIAB O=C(CSc1ccc(F)cc1)NCc1cccnc1-c1cccs1 225759753 HGOIGBXFVKTDTM-UHFFFAOYSA-N 358.463 4.358 0 40 FIAB CN(C)c1ccc(N)cc1NC(=O)c1cc(Br)ccc1Cl 226261343 IBXAJIYHTJSOQI-UHFFFAOYSA-N 368.662 4.003 0 40 FIAB CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OC)c1 226326220 QEFKHLHJKQTHEL-UHFFFAOYSA-N 365.223 4.213 0 40 FIAB O=C(O)c1cc(F)ccc1CN1CCC(c2c[nH]c3ccccc23)CC1 568061625 MIKHTFPPGSGMNN-UHFFFAOYSA-N 352.409 4.385 0 40 FIAB O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Oc2ccncc2)c(Cl)c1 571038190 SKFYFHCOOFAZHE-XGWLTEMNSA-N 358.825 4.423 0 40 FIAB O=C(Cc1ccc(Cl)cn1)Nc1ccnn1[C@H]1CCCc2ccccc21 585080882 HJFLFRJTFMIHNM-SFHVURJKSA-N 366.852 4.038 0 40 FIAB CC(C)Cc1ccc([C@@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1873829350 XNBSTTMGTFJOMM-QGZVFWFLSA-N 374.525 4.068 0 40 FIAB O=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3)nc12 1016734 KXFMOORCLXICKX-UHFFFAOYSA-N 364.408 4.443 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Br)cc1 1060826 ONXUDKNXIJKWMN-NTEUORMPSA-N 362.610 4.447 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCc2c(C)[nH]c3c(C)cccc23)c(C)c1 1074489 SHVITNQCNJKJAR-UHFFFAOYSA-N 370.518 4.231 0 40 FIAB COc1ccccc1NCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1189349 CJKUGLHRPLKUNW-YBEGLDIGSA-N 374.849 4.455 0 40 FIAB Cc1ccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1C 1452580 KSMXXSQJUQGOJE-FQEVSTJZSA-N 364.470 4.416 0 40 FIAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 1744718 LLPLFDXXIXBJOI-WUXMJOGZSA-N 353.418 4.339 0 40 FIAB biogenic Cc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2297855 WOXSWYOCFDMOMA-UHFFFAOYSA-N 368.506 4.390 0 40 FIAB Cc1ccc(F)cc1NC(=O)c1ccn(COc2ccccc2Cl)n1 2786577 VMDPPUBHQCBNGH-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c(OC)c1 2915379 DFEGEERILWPTDS-DLBZAZTESA-N 370.840 4.095 0 40 FIAB O=S(=O)(c1cccc(C(F)(F)F)c1)c1snnc1-c1ccccc1 3111149 GTMUXUDCPDTHGW-UHFFFAOYSA-N 370.377 4.057 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1OC 3168479 LRQHAIUVODKUDM-UHFFFAOYSA-N 353.390 4.200 0 40 FIAB O=C(Nc1cccc(O)c1)c1cc(-c2ccc(Br)cc2)on1 3907728 GHMPNTMUETVSHE-UHFFFAOYSA-N 359.179 4.062 0 40 FIAB CCOc1ccccc1NC(=O)c1c(NC(C)=O)sc2c1CCCC2 4503285 APYDACUBBTUYEC-UHFFFAOYSA-N 358.463 4.236 0 40 FIAB CCOc1ccc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nn1 5259641 GJSGRAWVGKZGQQ-UHFFFAOYSA-N 355.344 4.073 0 40 FIAB Cc1ccc(-c2csc3ncn(CC(=O)C(C)(C)C)c(=O)c23)cc1C 5263649 QXENGEJFIJGSQH-UHFFFAOYSA-N 354.475 4.357 0 40 FIAB CC(C)/N=C1\S/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N1C(C)C 6324809 LWFADXTVKAMUSZ-OQYODKIUSA-N 357.523 4.398 0 40 FIAB O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(Br)cc1 6398809 YGZVJJKHKMNQLP-BQYQJAHWSA-N 367.293 4.037 0 40 FIAB COc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1Br 6457846 GVAVBNRPNVSOFW-UHFFFAOYSA-N 364.283 4.156 0 40 FIAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(OC[C@@H]2CCCO2)cc1 6852741 UUZOZQAYZVYOCK-HKUYNNGSSA-N 369.486 4.211 0 40 FIAB Cc1ccc2c(COC(=O)c3ccc(Cl)cc3N)cc(=O)oc2c1C 6860217 HBPBZNFUMJOFGU-UHFFFAOYSA-N 357.793 4.002 0 40 FIAB CC(C)c1ccccc1NS(=O)(=O)c1ccccc1Br 7056192 AXMDGMVRUIXQNS-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cc(F)cc(F)c1 7437777 YRFVMUVQTALCAK-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1 7504892 RAKYOCQTICAJTJ-UHFFFAOYSA-N 372.852 4.369 0 40 FIAB CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1C1CC1 7618739 BGJZSIXHDQMJNA-UHFFFAOYSA-N 365.886 4.282 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7928395 NGGLCRMPEOPIBC-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Cc1csc(N(C(=O)C[C@@H]2OC(=O)c3ccccc32)c2ccccc2)n1 7986141 DXGSFGKPDJCWTC-KRWDZBQOSA-N 364.426 4.418 0 40 FIAB Cc1ccc(C)n1-c1nc2ccc(C(=O)NCc3cccnc3)cc2s1 8993302 XEXADVCKEXMICB-UHFFFAOYSA-N 362.458 4.029 0 40 FIAB Cc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@@H](c1ccccc1)C2 10156838 MUXCILDUCRHDBY-SFHVURJKSA-N 355.441 4.392 0 40 FIAB O=C(NCc1ccccc1)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 11694501 RKWUVKBGQNDRJE-UHFFFAOYSA-N 373.460 4.066 0 40 FIAB CN(CC(=O)Nc1cccc2ncccc12)Cc1ccc2ccccc2c1 11759838 ZGXIFGQGTAUGOI-UHFFFAOYSA-N 355.441 4.459 0 40 FIAB CCOCc1c(C(=O)OCc2cn3cccc(C)c3n2)oc2ccccc12 12629825 SFLMDTXKJNGHTQ-UHFFFAOYSA-N 364.401 4.282 0 40 FIAB O=C([C@H](Sc1ncnc2ccccc12)c1ccccc1)N1CCCCC1 12741884 KCLLCKYFZPRUEP-LJQANCHMSA-N 363.486 4.476 0 40 FIAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccccc1N1CCCC1=O 12987133 SHFLVFQBKKTJLE-UHFFFAOYSA-N 366.461 4.263 0 40 FIAB CC(=O)c1cccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1 14112519 BLPYQCQFRBFAAM-UHFFFAOYSA-N 354.431 4.015 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1 14257665 PHYRMXNUWXFFQC-UHFFFAOYSA-N 355.488 4.348 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 18120655 XWOTUMMQHDFKGT-UHFFFAOYSA-N 367.371 4.092 0 40 FIAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(CCc4ccccc4)C3)ccc12 19742877 FOKSYEFKGKYJMU-GOSISDBHSA-N 363.509 4.200 0 40 FIAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc2c(c1)OCCCO2 21723268 VPULCLOKDBCKQA-UHFFFAOYSA-N 371.437 4.075 0 40 FIAB Cc1ccsc1CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 23137815 PDULUGMCUCGTDV-UHFFFAOYSA-N 370.474 4.099 0 40 FIAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 24872120 DLLXTRUPSUQXOW-UHFFFAOYSA-N 353.340 4.348 0 40 FIAB Cc1nn(-c2ccc(NC(=O)c3ccco3)cc2)c(C)c1Br 28247586 GPHXNQVUYSIOGZ-UHFFFAOYSA-N 360.211 4.097 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(C)cc1 30865641 RUJGZJHAXUXWOI-LJQANCHMSA-N 361.482 4.341 0 40 FIAB CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 31039938 XZCKYTISYDYYDL-FQEVSTJZSA-N 372.440 4.184 0 40 FIAB Cc1cc(C)n2nc(SCc3ccc(Cl)c4cccnc34)nc2n1 31645304 LXKADSHUILYUSS-UHFFFAOYSA-N 355.854 4.235 0 40 FIAB O=C(Nc1cccc(NC(=O)c2ccc(F)cc2Cl)c1)c1cccnc1 32452449 RALISXKOAYNPMR-UHFFFAOYSA-N 369.783 4.379 0 40 FIAB CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 32776822 ISPNZRMJTASJJE-GFCCVEGCSA-N 355.415 4.169 0 40 FIAB OC1=Nc2c(ncn2-c2ccc(C(F)(F)F)cc2)[C@@H](c2cccnc2)C1 36359608 YHAVSMXJZPLCNA-CQSZACIVSA-N 358.323 4.410 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3c(C)nn(C)c3n2)cc1 36616884 WPGFFRZVMOHFGG-OAHLLOKOSA-N 362.477 4.124 0 40 FIAB COc1cc(C)c([C@@H](C)NC(=O)C2(c3ccc(F)cc3)CCC2)cc1OC 40134338 PRPYATGGFKZFIX-OAHLLOKOSA-N 371.452 4.450 0 40 FIAB Cc1nn(-c2ccccc2)cc1-c1ccnc(N2CCc3ccccc3C2)n1 40385456 RVPGLOKVWQIHRK-UHFFFAOYSA-N 367.456 4.200 0 40 FIAB Cc1nc2cc(NC(=O)Cc3csc(-n4c(C)ccc4C)n3)ccc2o1 45040990 PXCXPXSLBYRSOF-UHFFFAOYSA-N 366.446 4.181 0 40 FIAB CCCN1COc2ccc3c(=O)c(-c4ccccc4OC)coc3c2C1 57176034 DWISXUCNHTWUPY-UHFFFAOYSA-N 351.402 4.031 0 40 FIAB CCCn1ccc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc21 58004816 IEMQJEQTWUWVHG-UHFFFAOYSA-N 351.406 4.102 0 40 FIAB Cc1nc2ccc(N[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)cc2s1 69056586 LBEJJZLWSFRHKV-OLZOCXBDSA-N 351.475 4.383 0 40 FIAB O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl 71792452 OGELYNDTAQTXCS-UHFFFAOYSA-N 360.860 4.372 0 40 FIAB O=C(Nc1cccc(-n2cnnc2)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 71804298 KQJBMPSCMKIGEG-HOTGVXAUSA-N 372.350 4.028 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)N(C3CCCC3)C3CCCC3)cn2)n1 72069001 CKVDZJODIOUDCD-UHFFFAOYSA-N 352.482 4.212 0 40 FIAB COc1cccc(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)c1 72289090 QXUNPVOQIIUQEW-LJQANCHMSA-N 360.429 4.058 0 40 FIAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(Cc4ncc[nH]4)C3)c2)c1 72354179 QOTLFCAAJQKELC-NRFANRHFSA-N 360.505 4.392 0 40 FIAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1 78403946 GNGPNWJLHMGXQV-SECBINFHSA-N 357.262 4.151 0 40 FIAB Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2SCCc3sccc32)n1 89568357 UPHDPCHCWLADIK-INIZCTEOSA-N 355.488 4.416 0 40 FIAB C[C@H](CCCc1ccccc1)C(=O)Nc1cccc(N2CCOC2=O)c1 95462910 PMKLCAKCTVWKPI-MRXNPFEDSA-N 352.434 4.241 0 40 FIAB COc1ccc([C@@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1O 95472540 PJPORWGLBYYMCM-SFHVURJKSA-N 367.430 4.011 0 40 FIAB O=C(c1nc2ccccc2s1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024933 OYDQAEBAFYMUGY-UHFFFAOYSA-N 373.865 4.028 0 40 FIAB COc1ccc2c(c1)C1(CCN(Cc3ccc(C)s3)CC1)N(C)CC2 96100214 CRZQQNYTZPAEGJ-UHFFFAOYSA-N 356.535 4.044 0 40 FIAB O=C(Cc1cccc2ccccc12)N1CCC([C@@H](O)c2ccccc2)CC1 96997593 CBZUPKWKTXOASO-DEOSSOPVSA-N 359.469 4.355 0 40 FIAB Cc1ccc(C2=C[C@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 100561183 RHVRQLPDMRGEMN-QGZVFWFLSA-N 367.250 4.405 0 40 FIAB COc1c(C)cccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100763733 DVKPEFRURJKSAO-QZTJIDSGSA-N 355.453 4.157 0 40 FIAB CSc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc1 101353691 YLFZASMBANUVLV-MRXNPFEDSA-N 355.854 4.104 0 40 FIAB CC(=O)N1CCc2cc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)ccc21 109489579 KZWLFHLVRPDUPS-UHFFFAOYSA-N 373.334 4.331 0 40 FIAB Ic1ccccc1-c1nnc(-c2cccs2)o1 111856990 WERDWTOVQWWSFY-UHFFFAOYSA-N 354.172 4.070 0 40 FIAB CCOC(=O)c1cc(NC(=O)CSCc2ccccc2)ccc1Cl 216001326 ZSXZEAXPWDCKRR-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c1 219068432 FVWBVFJACLAOHP-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 219531955 BWHDVMDDTHKPTP-GOSISDBHSA-N 355.478 4.218 0 40 FIAB Cc1ccc(-c2noc(CNC(=O)CCc3cccc4ccccc34)n2)cc1 222679156 SOSBWNANCFLYAR-UHFFFAOYSA-N 371.440 4.447 0 40 FIAB C[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc2c(c1)CCC2 223176242 DUAPHVOLTUKRBL-HNNXBMFYSA-N 370.452 4.166 0 40 FIAB CCCSc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 224993176 QMSZINQMJKXOSW-UHFFFAOYSA-N 371.915 4.490 0 40 FIAB COc1ccc(CCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1C 225775112 BSFMESISBZMPMV-UHFFFAOYSA-N 371.477 4.048 0 40 FIAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccccc1Cl 225843819 BDQLZQLYAAMDNA-OAHLLOKOSA-N 373.880 4.181 0 40 FIAB CCc1onc(C)c1NC(=O)c1cc2sc(N3CCCC3)nc2s1 281318403 UUBOPKLZQZAULT-UHFFFAOYSA-N 362.480 4.069 0 40 FIAB COc1ccc(CCNC(=O)NCCc2ccc(-c3ccoc3)s2)cc1 390830712 MTYMSBFTGFYTSF-UHFFFAOYSA-N 370.474 4.101 0 40 FIAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 408561931 LSNRTONNWKNBLP-XDOYNYLZSA-N 370.449 4.434 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 408628222 RALLEPHGMUAELG-INIZCTEOSA-N 367.518 4.121 0 40 FIAB O=C(CCc1cncc(F)c1)Nc1ccc(Oc2ccc(CO)cc2)cc1 537169492 IQTGLVYXRBXEHW-UHFFFAOYSA-N 366.392 4.077 0 40 FIAB c1csc(N2CCC(NCc3ccc(OC4CCCCC4)nc3)CC2)n1 585085349 LIXDMEZOZHQOFW-UHFFFAOYSA-N 372.538 4.008 0 40 FIAB O=C(NC[C@H](c1ccco1)c1cccs1)c1cc(-c2ccco2)on1 585146724 HQFLGKYWRFZFSX-GFCCVEGCSA-N 354.387 4.151 0 40 FIAB O=C(NC[C@H](c1ccsc1)c1ccco1)Nc1ccc2c(c1)OCO2 618257397 WWKYXMWCFFHDBK-CQSZACIVSA-N 356.403 4.023 0 40 FIAB FC(F)(F)Oc1ccc(Cn2cc(-c3cccc4cnccc34)nn2)cc1 1776002853 IEDBSWYYRIGQDD-UHFFFAOYSA-N 370.334 4.440 0 40 FIAB Cc1ncsc1C(=O)N1CCC(Cc2ccc3ncccc3c2)CC1 1848355318 JNSXRHXYPWJOGQ-UHFFFAOYSA-N 351.475 4.095 0 40 FIAB Cc1ccncc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 2037989115 WCDGERKQLNYSFS-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB O[C@H]1c2cc3ccccc3nc2Sc2nc(-c3ccc(Cl)cc3)nn21 688102 LRGMQRZOSLJIJX-KRWDZBQOSA-N 366.833 4.151 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccc(Cl)cc2)NC(=S)N1 799804 YUIQPTFKGFRAJZ-KRWDZBQOSA-N 371.893 4.080 0 40 FIAB COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(C)=O 804887 IKPIYDXVFGGMOT-KRWDZBQOSA-N 361.397 4.248 0 40 FIAB CNC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1096294 LRRDZCNXBFMCDC-UHFFFAOYSA-N 350.403 4.066 0 40 FIAB CC(=O)N(CCc1ccccc1C)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1366593 RONPFVGOLRZUDU-UHFFFAOYSA-N 362.473 4.045 0 40 FIAB O=C1[C@@H]2CS[C@@H](c3ccccc3F)N2C(=O)N1c1ccc(Cl)cc1 2266883 BWGGJIWIMAYKAY-HOCLYGCPSA-N 362.813 4.062 0 40 FIAB CCCCn1nc(NC(=O)COc2ccccc2)c2cc3ccccc3nc21 2343597 PXGUYJGATRJESZ-UHFFFAOYSA-N 374.444 4.402 0 40 FIAB COC(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 2405053 HBVUSJKTTXIWSZ-UHFFFAOYSA-N 369.490 4.267 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1 2436621 FHKPKPVJOWEHGY-QGZVFWFLSA-N 371.440 4.092 0 40 FIAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 3319919 VDYHXAASODSYFB-JOCHJYFZSA-N 350.462 4.260 0 40 FIAB Cc1cc(OC(=O)c2conc2-c2c(Cl)cccc2Cl)cc(=O)o1 4105230 NGLMOZJGQSPREH-UHFFFAOYSA-N 366.156 4.129 0 40 FIAB C[C@H]1CC[C@@H](OC(=O)CCC(=O)Nc2nc3ccccc3s2)C[C@@H]1C 4112011 LCVNWZHECOZDNA-MELADBBJSA-N 360.479 4.383 0 40 FIAB Cc1cccc(Cn2c(CCCNC(=O)c3ccco3)nc3ccccc32)c1 4386839 XIUFVQNKSFWDBY-UHFFFAOYSA-N 373.456 4.349 0 40 FIAB CC(=O)c1ccccc1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 4406750 IRITUGARPPAXGI-UHFFFAOYSA-N 359.838 4.150 0 40 FIAB CCCCCCC(=O)N1CCC[C@@H](c2nc(-c3cccc(OC)c3)no2)C1 4711097 ZLMLNTLAXRAHSA-QGZVFWFLSA-N 371.481 4.422 0 40 FIAB COc1ccc2nc3sc(C(=O)Nc4nc(C)cs4)c(N)c3cc2c1 4848787 IAHTUSYJFUOCOO-UHFFFAOYSA-N 370.459 4.058 0 40 FIAB COc1ccc(-c2n[nH]cc2Oc2ccccc2Br)c(O)c1 5138206 RCUDZFCMVHIIKB-UHFFFAOYSA-N 361.195 4.346 0 40 FIAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-n2cncn2)cc1 5246025 FEGVGXBIVDSFCS-LLVKDONJSA-N 361.232 4.065 0 40 FIAB COCCn1cc(NC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc21 5266430 XBXHNOZRLIWOGP-KRWDZBQOSA-N 365.477 4.431 0 40 FIAB CCc1ccc(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)cc1 5269829 DQKWIAYJJSLKKM-UHFFFAOYSA-N 366.848 4.365 0 40 FIAB O=C(COc1ccc(Oc2ccccc2)cc1)NCc1ccc(F)cc1 5292982 GMQUTGPGSUDLCV-UHFFFAOYSA-N 351.377 4.313 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1 6321924 RYGCHKGTLNAXQK-UHFFFAOYSA-N 372.833 4.487 0 40 FIAB CCOCCCNC[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 6537354 OKAAAOOABNJQNS-IBGZPJMESA-N 365.558 4.156 0 40 FIAB COc1cccc(OC)c1OCCCN1CCCC[C@H]1c1cccnc1 6624455 RMEWMSSUXAZHPS-SFHVURJKSA-N 356.466 4.095 0 40 FIAB biogenic O=C(CCCOc1ccc(Br)cc1)Nc1nc2ccccc2[nH]1 6653286 MJTLKROGPHWFTB-UHFFFAOYSA-N 374.238 4.123 0 40 FIAB O=c1c2cccnc2nc(SCc2cccc(F)c2)n1-c1ccccc1 6805028 FEEMBRJCZCODCP-UHFFFAOYSA-N 363.417 4.212 0 40 FIAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1 7507726 RAAIDXPUODSWOA-NSHDSACASA-N 374.487 4.094 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1sc(C)nc1C 7508341 VLTFGBUDLKJYFO-UHFFFAOYSA-N 359.403 4.040 0 40 FIAB Cc1cc(C)c2c(N)c(-c3n[nH]c(=S)n3-c3ccccc3)sc2n1 8382971 IGDHNWPCOXVVII-UHFFFAOYSA-N 353.476 4.406 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 8754736 IJHVLWPJPAGGFD-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2Oc2ccccc21 9134456 YDBAJBMIFGVIQA-UHFFFAOYSA-N 364.426 4.312 0 40 FIAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)ccc1Cl 9709730 YFQZNLAERZOJNM-UHFFFAOYSA-N 374.231 4.234 0 40 FIAB CCOc1ccc(C(=O)N2CCC(c3onc4c3C[C@H](C)CC4)CC2)cc1 12120326 KEACWQFYNNGXEZ-OAHLLOKOSA-N 368.477 4.218 0 40 FIAB Cc1nn(C)cc1CN(Cc1ccccc1F)C1CC(C)(C)NC(C)(C)C1 12186565 NZPULZKLHXBNKU-UHFFFAOYSA-N 372.532 4.179 0 40 FIAB CC(=O)N(c1nc(CSc2nccn2C)cs1)c1cccc(C)c1C 12538880 IWBVYPDUUDLNTM-UHFFFAOYSA-N 372.519 4.470 0 40 FIAB O=C(Cc1ccc(Br)cc1)Nc1ccccc1N1CCCC1 12643437 NSOOMLFTGIKOKK-UHFFFAOYSA-N 359.267 4.231 0 40 FIAB Cc1cccc(C)c1NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 15404160 IIHAESHHHIDTJN-UHFFFAOYSA-N 367.474 4.384 0 40 FIAB Cc1ccc(CC(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 19209394 BVKJTADALWBMEF-UHFFFAOYSA-N 367.474 4.055 0 40 FIAB CCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 19694487 QOAFRUHTOQRMSK-QGZVFWFLSA-N 372.900 4.327 0 40 FIAB CCOc1ccccc1-c1cc(NC(=O)c2noc3c2C[C@@H](C)CC3)on1 20190278 VDZCZXPFNLPXNX-LBPRGKRZSA-N 367.405 4.105 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(CC)on1 20191931 BBOUFHHVSVOQAH-UHFFFAOYSA-N 370.430 4.395 0 40 FIAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 20612013 LCIBBCGTJQYJBR-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB Cc1nc(-c2ccccc2)c(C(=O)OC[C@@H]2COc3ccccc3O2)s1 21629283 XJAHMAFQRILKCF-HNNXBMFYSA-N 367.426 4.115 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(C)sc2c1 22255191 RUECVEGCNHRPRA-UHFFFAOYSA-N 368.867 4.068 0 40 FIAB Cc1ccc([C@]2(O)CN(c3ccc(Cl)cc3)C3=[N+]2CCCCC3)cc1 22408739 CCYRZSRCOCLIMK-OAQYLSRUSA-N 355.889 4.299 0 40 FIAB CCN1CCC[C@@H]1CNCc1cn(Cc2ccccc2)nc1-c1ccccc1 23248923 IQZVAIKLSVCURN-HSZRJFAPSA-N 374.532 4.172 0 40 FIAB CN(Cc1ccco1)C(=O)COC(=O)c1ccc(-c2ccccc2Cl)o1 24222107 IZUYZXSXIDZQSF-UHFFFAOYSA-N 373.792 4.008 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1Cl 31054628 WHGFFMLZALDQGP-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccccn2)c(C(C)C)cc1Br 32602035 YYOTUROTMUPKRC-UHFFFAOYSA-N 369.284 4.077 0 40 FIAB CC(=O)Nc1scc(-c2cccs2)c1C(=O)OCc1ccccn1 32865950 KEPQWPKBWYMAAS-UHFFFAOYSA-N 358.444 4.187 0 40 FIAB Cc1csc(CNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)n1 32905452 GJBYWRJYVQEAOO-UHFFFAOYSA-N 370.861 4.266 0 40 FIAB O=C(Nc1ccc(Cl)c2cccnc12)c1ccc2c(c1)OCCCO2 32906627 RFSDJSJPEWDHAS-UHFFFAOYSA-N 354.793 4.302 0 40 FIAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc(Cl)ccc1F 32930404 ZGSYBQLICHHRBH-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB Fc1ccccc1COc1ccc(C(=S)N2CCOCC2)cc1Cl 33744445 CSOZODIWUHPNDG-UHFFFAOYSA-N 365.857 4.066 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(Cl)c2)cc1 35289374 LDMIWHJRECFUBR-KRWDZBQOSA-N 357.841 4.283 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)cc2C)cc1 35289615 KTTGDOOUQORAGQ-IBGZPJMESA-N 351.450 4.247 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2F)c1 36357829 NJOMSAYGLUYIJI-HNNXBMFYSA-N 355.344 4.283 0 40 FIAB Cc1cccc(CN2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)c1 39750334 LAQLTGCCMZTOAW-UHFFFAOYSA-N 368.496 4.095 0 40 FIAB C[C@H](OC(=O)C1=C(Cl)CCCC1)C(=O)Nc1cccc2ncccc12 42604669 KHSBQRIRMFVKBF-LBPRGKRZSA-N 358.825 4.172 0 40 FIAB CCOc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)n[nH]2)cc1 51315857 MHWCCHZCKRIYTI-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB COc1ccc(C)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364477 JELNZYBLCNFHKY-GOSISDBHSA-N 374.440 4.162 0 40 FIAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)CC(C2CC2)C2CC2)CC1 58210143 AZDUPDRKIZMGHS-UHFFFAOYSA-N 361.432 4.212 0 40 FIAB CC(=O)Nc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71326267 RCOFNZSUXHEVIK-UHFFFAOYSA-N 369.368 4.353 0 40 FIAB CCc1nnc(-c2ccc(NC(=O)C3(c4cccc(F)c4)CCC3)cc2)o1 72305135 WTBHDAKXVAFXFX-UHFFFAOYSA-N 365.408 4.499 0 40 FIAB OCc1ccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 72348844 ZZTYRKAJQCDFPA-OAQYLSRUSA-N 359.473 4.016 0 40 FIAB C[C@@H](c1ccccc1)N1CC[C@H](NCC2(c3ccccc3)CCOCC2)C1 75093167 JAEVPYZXJAIERU-REWPJTCUSA-N 364.533 4.160 0 40 FIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(O)cc1)SCC(O)=N2 95475533 SBBJZGQPOQIDLO-KRWDZBQOSA-N 373.478 4.202 0 40 FIAB COc1ccc(CN2CCC3(CC2)C[C@H](OCc2ccccc2)CO3)cc1 96047858 VWPSENPBPLVULM-QFIPXVFZSA-N 367.489 4.036 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)COc1ccc(C)cc1 219367475 GZMSQOLHTRZTNI-PXNSSMCTSA-N 355.478 4.353 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C1CC1 222598797 YGDNRYJJWHXYCS-BKTGTZMESA-N 352.507 4.424 0 40 FIAB CC(C)CSc1nnc(NC(=O)CSCc2ccccc2F)s1 223008154 NEXSXKSBUCHUOW-UHFFFAOYSA-N 371.528 4.297 0 40 FIAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223341283 KBFKPWFQKROWJS-QFIPXVFZSA-N 366.505 4.473 0 40 FIAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccccc3)cn2)C1 223923306 NGGWMPZGXVZWBJ-HOTGVXAUSA-N 354.523 4.051 0 40 FIAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224388069 KTHROIKMKZNSCK-IRXDYDNUSA-N 355.463 4.459 0 40 FIAB Cc1ccc(SCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224644742 ALZPDCVDLFMGNO-UHFFFAOYSA-N 368.546 4.389 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 225685262 IMAMSLQGLFEJNW-ZDUSSCGKSA-N 359.422 4.027 0 40 FIAB O=C(Cc1ccccc1Cl)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225738400 XAUWREYWQXAMOY-KRWDZBQOSA-N 366.848 4.111 0 40 FIAB CCOc1ccc(-c2noc(CN(C)C(=O)c3cc(C)ccc3C)n2)cc1 225859479 YWTSVKXQZSASFQ-UHFFFAOYSA-N 365.433 4.024 0 40 FIAB COc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 225904705 XROCPUNIFKMKOC-QGZVFWFLSA-N 372.896 4.224 0 40 FIAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 226010907 AWVCVGPEUFMKJG-CQSZACIVSA-N 361.559 4.031 0 40 FIAB CCc1cc(C(=O)[C@H](Br)CBr)ccc1Cl 382741847 ZZAAXKCGPDIMAL-SECBINFHSA-N 354.469 4.244 0 40 FIAB O=C(CSc1nc(O)c2ccccc2n1)Nc1ccccc1C(F)F 408543378 OMYZDMFDGUEFTI-UHFFFAOYSA-N 361.373 4.004 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCSc2ccccc2)CC1 409147773 NQHMNJZZPKLUKZ-UHFFFAOYSA-N 374.937 4.479 0 40 FIAB CNc1snc(C)c1C(=O)NCc1ccc(Oc2ccccc2)cc1 504960123 UJGKHZJRZRUBCR-UHFFFAOYSA-N 353.447 4.216 0 40 FIAB CCN1CCC(N(C)Cc2cccc(OCc3ccc(F)cc3)c2)CC1 506675720 QBIQNSYXIRZNDP-UHFFFAOYSA-N 356.485 4.321 0 40 FIAB C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc3nc(O)oc23)CC1 585082260 SWPPRNKUMFBARH-NRFANRHFSA-N 350.418 4.117 0 40 FIAB COC(=O)[C@H]1CN(C(=O)Nc2cccc(C(C)(F)F)c2)Cc2ccccc21 599782265 OFFHQCWWEJMACZ-KRWDZBQOSA-N 374.387 4.103 0 40 FIAB O=C(O)c1sc2cccc(F)c2c1CN1CC[C@@H](c2cccnc2)C1 652391376 VZSAWJINQKHTHV-CYBMUJFWSA-N 356.422 4.123 0 40 FIAB O=C(Nc1ccccc1F)N1CCC(c2ccc3cccnc3n2)CC1 653916041 OEZIJZOJJBHACE-UHFFFAOYSA-N 350.397 4.180 0 40 FIAB C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 1220846375 DKPQTLQWWVUFKP-HNAYVOBHSA-N 371.525 4.439 0 40 FIAB Cc1cccnc1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615129903 XKELZQDTWWETAL-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB CCCSCc1nnc2sc(-c3ccc(Br)cc3)nn12 1772491455 XPFPGGQEXGZLKQ-UHFFFAOYSA-N 369.313 4.259 0 40 FIAB CCC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)cc2[nH]c1=O 1358602 XWVGLJCBMILPKD-UHFFFAOYSA-N 368.864 4.429 0 40 FIAB CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(C)C)cc1 2503547 FPSRQVWNFJYAHE-SUMWQHHRSA-N 372.490 4.022 0 40 FIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(F)cc1F 2654237 GMEUFBDYCKORJQ-UHFFFAOYSA-N 367.351 4.213 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)CNc3cccc(C)c3)s2)cc1 2887789 CVLRUYYAVJOQIW-UHFFFAOYSA-N 351.475 4.401 0 40 FIAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccccc2)s1 2887818 CROJYQUKPIIQFX-UHFFFAOYSA-N 351.475 4.401 0 40 FIAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCCC1 3260957 SYJSUQDSYAFPHH-UHFFFAOYSA-N 355.488 4.073 0 40 FIAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(F)cc1 3311399 ZPGRPVSEOZLMQU-UHFFFAOYSA-N 351.377 4.422 0 40 FIAB COc1ccc2oc(C(=O)OCC(=O)Nc3cc(C)ccc3C)c(C)c2c1 3331665 PHJFBPFIOACZSJ-UHFFFAOYSA-N 367.401 4.162 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)Sc2nc3ccccc3s2)cc1 3364649 MELACQSHXGDWFI-LBPRGKRZSA-N 358.488 4.102 0 40 FIAB C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(C(N)=O)cc1 4886604 ZPTOYTLBALYRDM-ZDUSSCGKSA-N 350.443 4.058 0 40 FIAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 5017005 ICYCPCZMAUZVJA-CQSZACIVSA-N 372.852 4.039 0 40 FIAB Cc1ccccc1C(=O)N(c1ccc(C(C)C)cc1)[C@H]1C=CS(=O)(=O)C1 5081349 IVCLSUWYVAYFLS-IBGZPJMESA-N 369.486 4.076 0 40 FIAB Cc1cccc(Cn2cccc(C(=O)Nc3cccc(Cl)c3)c2=O)c1 5269631 JKMTUCPUXIBBDI-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 6152047 IFTGVXHVUXCVLZ-UHFFFAOYSA-N 350.418 4.360 0 40 FIAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(=O)c2ccccc2o1 6476356 QUGHFPQKIXQVFE-UHFFFAOYSA-N 354.412 4.230 0 40 FIAB C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 6586288 YDNOWTUPSNIEFG-VQIMIIECSA-N 365.477 4.046 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 6905579 WRCKUAAYJBTCHP-UHFFFAOYSA-N 362.882 4.049 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Nc2ccc(Br)cc2)c1 7277533 NNEIUTVEVVEMQE-LLVKDONJSA-N 361.239 4.091 0 40 FIAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1ccccc1 7737876 PUZLFTBRPCJSKJ-UHFFFAOYSA-N 356.429 4.287 0 40 FIAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccoc2C)c2ccccc2)c1 7848025 JGFDNLCOQKZFED-IBGZPJMESA-N 365.385 4.133 0 40 FIAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC(F)F 7886300 NTGGWTXCRVGIRS-QGZVFWFLSA-N 360.360 4.026 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 8041816 HLKHLXHNVKUSIV-KDOFPFPSSA-N 372.440 4.150 0 40 FIAB COc1cccc(-c2nnc(SCCC(C)=O)n2-c2ccc(C)cc2)c1 8163667 RPJDPSAEGYMAEK-UHFFFAOYSA-N 367.474 4.323 0 40 FIAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1F 8289288 DGVGQXFZCSYPNE-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB Cc1ccc2nc(COC(=O)/C=C/c3ccc(C(F)(F)F)cc3)cn2c1 8482213 KMZAOVDABSIBMQ-WEVVVXLNSA-N 360.335 4.418 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 8558365 IQZKUTIPKBMYKC-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)c1C 8672787 GIVKAJNHLCKCON-AYHJJNSGSA-N 369.534 4.378 0 40 FIAB CCOCc1c(C(=O)Nc2cc(C(=O)OC)ccc2C)oc2ccccc12 8942253 MFLSCAZECSJMMK-UHFFFAOYSA-N 367.401 4.317 0 40 FIAB Cc1cccc(Cn2nc(-c3cccs3)c3sc(C)nc3c2=O)c1 8956032 GMEGTPSWBFQLGG-UHFFFAOYSA-N 353.472 4.247 0 40 FIAB COc1ccc(OC)c(C(=S)N2CCC(Cc3ccccc3)CC2)c1 9189182 QSEMXPDNHGWMAW-UHFFFAOYSA-N 355.503 4.334 0 40 FIAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccc2ncccc12 9419660 IKPIWRBTDMUTMH-UHFFFAOYSA-N 358.401 4.246 0 40 FIAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccco3)n2)cc1 12441925 BKIHPFLSEFEGLT-UHFFFAOYSA-N 364.430 4.458 0 40 FIAB CCN(C(=O)CN1CCC(c2c[nH]c3ccccc23)CC1)C1=CCCC1 12776937 ALYYCRMKTDMSGE-UHFFFAOYSA-N 351.494 4.264 0 40 FIAB Cc1cnc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)s1 12794972 XGJJAJRMVMLNGT-QGZVFWFLSA-N 364.426 4.158 0 40 FIAB CC[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(C)cc1 12869461 BTICSCAAXFOTQT-FQEVSTJZSA-N 365.477 4.294 0 40 FIAB CCC(CC)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12893938 YDAOUHRZPLZIFZ-UHFFFAOYSA-N 355.463 4.287 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 12948871 AEONUDSLTNOUQW-UHFFFAOYSA-N 364.228 4.450 0 40 FIAB Cc1ccc(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c(O)c1 12996383 UDWHRBUOYASHLV-UHFFFAOYSA-N 374.444 4.085 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)cc1C 14052984 ANCFUPFLPFNIDX-UHFFFAOYSA-N 365.458 4.193 0 40 FIAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccs1 15880213 OXZHXAACIUIFKT-UHFFFAOYSA-N 355.488 4.015 0 40 FIAB CC(=O)NCCCc1ccc(-c2csc(NCc3ccccc3)n2)cc1 19542472 UMKHUUZMKLDYSY-UHFFFAOYSA-N 365.502 4.491 0 40 FIAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN2Cc2cnn(C)c2)n1 19692015 KQVVQMUBCOIRKI-QFIPXVFZSA-N 364.468 4.191 0 40 FIAB CCCC(=O)Nc1cc(Br)c(N)c(Br)c1Cl 20134719 IRJIBVGRYUUXFL-UHFFFAOYSA-N 370.472 4.186 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccccc1C(F)(F)F 22134353 MPNVFZAXSHQNMD-INIZCTEOSA-N 355.381 4.135 0 40 FIAB O=S(=O)(c1c(Cl)cccc1Cl)N(Cc1ccccc1)C1CC1 23043211 JXFLBYGOHCEYSI-UHFFFAOYSA-N 356.274 4.347 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccnc1N1CCCC1 23995755 NOTNDTJZYBSMRR-CQSZACIVSA-N 366.490 4.125 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(F)cc2)cc1 24613814 CRQQGFMIGVEDET-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB Cc1ccc([C@@H](O)CSc2nnc(NCc3ccco3)s2)c(C)c1 24768280 QOPNGRQYQDUMCK-HNNXBMFYSA-N 361.492 4.186 0 40 FIAB Cc1ccc(NC(=O)c2nnc(CN(C)[C@H](C)c3ccccc3)s2)cc1 25043452 KOSCDWIGNGWNTK-OAHLLOKOSA-N 366.490 4.292 0 40 FIAB CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 25388705 FLBZXNBRXGJZNY-UHFFFAOYSA-N 367.401 4.104 0 40 FIAB CCCc1cc(=O)oc2cc(OCc3cc(C(=O)OC)c(C)o3)ccc12 27273500 SNVZTJSCNCZTLI-UHFFFAOYSA-N 356.374 4.013 0 40 FIAB CN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCCc2ccccc21 29257073 PFOOLYLJRVGDAV-IFMALSPDSA-N 365.473 4.394 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)C1(c2cccc(F)c2)CCCC1 29571293 IHTYOWSRNDTMRW-UHFFFAOYSA-N 350.437 4.478 0 40 FIAB CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1 31984527 ILDPRCNQUDKLQU-UHFFFAOYSA-N 357.475 4.218 0 40 FIAB COC(=O)c1ccc(NC(=O)CSc2cccc3ccccc23)cc1 32691766 FJSXANCQYRABRF-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB CC(C)c1ccc(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1 36394465 DOGWLIVMVODNKW-UHFFFAOYSA-N 358.873 4.109 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 38735728 PWPYKQLFTDNVQG-XCVCLJGOSA-N 365.433 4.447 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1Br 39994043 PMMKTBGAARHTPX-UHFFFAOYSA-N 364.287 4.100 0 40 FIAB C[C@@H](c1ccccc1Cl)N(C1CC1)S(=O)(=O)c1cccc(F)c1 40149710 MYHJAPPPATXVFO-LBPRGKRZSA-N 353.846 4.393 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCC1 41091654 FSLQOVAPODIXPY-UHFFFAOYSA-N 373.909 4.375 0 40 FIAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)n1 47318290 RIXGXPPKUOGKNX-UHFFFAOYSA-N 361.445 4.295 0 40 FIAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2c(F)cccc2Cl)c1 47711004 NHMNTMXVMLJQDV-UHFFFAOYSA-N 365.792 4.321 0 40 FIAB COC(=O)c1c(N[C@H](C)c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O 49001553 KOAJCCCPDPXHMX-SNVBAGLBSA-N 374.799 4.280 0 40 FIAB O=C(Nc1ccccn1)c1oc2ccccc2c1CSc1ncccn1 58214601 NPXVHDLXUKRFDK-UHFFFAOYSA-N 362.414 4.162 0 40 FIAB CNc1nc2c(s1)[C@@H](c1ccc(OCC(C)C)c(OC)c1)CC(O)=N2 61717634 HATIUEJJNADYKV-GFCCVEGCSA-N 361.467 4.352 0 40 FIAB CCCCN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 65592960 XDGQOFIFDPOALB-ZDUSSCGKSA-N 373.324 4.141 0 40 FIAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H]1CN1CCCC1 66945368 NRSNCPLMVSMSCR-OAHLLOKOSA-N 358.869 4.300 0 40 FIAB O=C(Nc1ccccc1-n1cccn1)N1CC(Cc2ccccc2Cl)C1 72314297 QKSUIWXPLARKFO-UHFFFAOYSA-N 366.852 4.232 0 40 FIAB Cc1nc2ccccc2n1C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 72365987 COIWEMRPWDNUHS-UHFFFAOYSA-N 358.445 4.303 0 40 FIAB Cn1c(C(=O)Nc2nc(-c3cccnc3)cs2)cc2cc(F)ccc21 72404272 IMVVXODJDZNWLK-UHFFFAOYSA-N 352.394 4.088 0 40 FIAB CC(C)(C)OC(=O)NC1(CNC(=O)Nc2cccc(Cl)c2)CCCC1 73633265 XBLBWDOXHJBTHI-UHFFFAOYSA-N 367.877 4.299 0 40 FIAB C[C@H]1CN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21 77216291 LGDPJCHLSNNXDV-HNNXBMFYSA-N 354.413 4.160 0 40 FIAB CN(Cc1ccccc1F)C(=O)CN[C@@H](c1ccc(Cl)cc1)C1CC1 95468506 DKWFKDQHABVFBF-HXUWFJFHSA-N 360.860 4.178 0 40 FIAB Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)c1cccc(N(C)C)c1 95957249 CRPXXMXLDCMLKI-UHFFFAOYSA-N 360.461 4.376 0 40 FIAB Cc1nc(N(C)C)sc1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 95980893 OJIFKNRWAIQLLJ-VIFPVBQESA-N 357.401 4.027 0 40 FIAB COc1ccc(Cl)cc1N1C(=S)N[C@H]2C[C@@]1(C)Oc1ccccc12 100031989 INIMJKRMTMHZBR-SCLBCKFNSA-N 360.866 4.283 0 40 FIAB CC(C)n1ccc(=O)nc1SCc1coc(-c2ccc(F)c(F)c2)n1 105575725 CZJOVVYJPRLJFL-UHFFFAOYSA-N 363.389 4.050 0 40 FIAB CC(C)(C)n1cc(-c2cc(Cl)ccc2O)c(NC(=O)C(F)(F)F)n1 115221225 QWBHZQVPCYFVHC-UHFFFAOYSA-N 361.751 4.165 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 222776406 IGAXZIMDCDICGH-PMACEKPBSA-N 362.502 4.173 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223220875 YCEFVJHQDLKXJD-BTYIYWSLSA-N 353.462 4.219 0 40 FIAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 223955545 MPQVJPFHFMBMFM-SFHVURJKSA-N 359.491 4.356 0 40 FIAB CCc1ccc(CC)c(CNC(=O)COc2ccc3c(c2)CCCC3)c1 224006250 HEPCAIDQRMPIAO-UHFFFAOYSA-N 351.490 4.385 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)cc1C 224289310 TVFAXYXYTXNFGS-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CCOc1ccccc1CNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 224864843 MUJBTBXMLBXPIT-OAQYLSRUSA-N 367.489 4.438 0 40 FIAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225560767 CYBQYCVEQQOWAE-UHFFFAOYSA-N 353.462 4.408 0 40 FIAB Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1C 225647613 NQYTZZYFDUHYOF-UHFFFAOYSA-N 350.462 4.490 0 40 FIAB Cc1cc(C)cc(NC(=S)NCc2nc(-c3cccc(C)c3)no2)c1 225814310 PPSDPFMJNOVHIL-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB Cc1cccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c1 225818343 QOZCDVBTUBZGLC-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB O=C(Cc1cccc2ccccc12)N1CC[C@@H](Oc2ccncc2Cl)C1 575610752 PIGABRFYBDHUMD-QGZVFWFLSA-N 366.848 4.111 0 40 FIAB CO[C@H]1CCCN(C(=O)/C=C/c2csc(C)n2)[C@H]1Cc1ccc(C)cc1 585290919 XVYHREDBNQPKIV-FWEDTRJPSA-N 370.518 4.022 0 40 FIAB CCc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)s1 614774871 FZRUOKYEFGFBQD-UHFFFAOYSA-N 365.398 4.052 0 40 FIAB CC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)s1 622314524 CINWGFPYQTZOPE-OAHLLOKOSA-N 353.447 4.113 0 40 FIAB CC[C@](C)(O)CNC(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1147953719 RYBLVFTUZKSBTR-QFIPXVFZSA-N 350.462 4.045 0 40 FIAB COC(=O)c1ccc(COc2ccccc2CN2CCC(C)CC2)cc1 1205101316 PUXAEQFKFBTKPB-UHFFFAOYSA-N 353.462 4.284 0 40 FIAB O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(Cl)c(O)c1 1639551640 DFNALGDXWBLFRE-UHFFFAOYSA-N 355.743 4.484 0 40 FIAB O=C(CSCc1ccccc1)NC[C@@H](O)c1cc(-c2ccco2)cs1 1888977242 GGIDXPZISPLXSY-MRXNPFEDSA-N 373.499 4.091 0 40 FIAB CCCCN1C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc21 1889136098 NAIGNLSRLVZMSV-UHFFFAOYSA-N 358.463 4.239 0 40 FIAB O=C(c1ccc(Cl)cc1)N1N=C(C(F)(F)F)C[C@@]1(O)C1CCCCC1 857381 BBTYEAZKBBZOFQ-MRXNPFEDSA-N 374.790 4.373 0 40 FIAB CCc1c(C)sc(NC(=O)c2cc(Cl)ccc2Cl)c1C(N)=O 1084396 QRUVFMIOCDBCER-UHFFFAOYSA-N 357.262 4.277 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)cc1 1346836 MTICZGUOPXITKS-KRWDZBQOSA-N 357.841 4.283 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2)c1 1346859 YVHAYHNRODMRLK-KRWDZBQOSA-N 357.841 4.283 0 40 FIAB Cc1ccc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)c(C)c1 1865343 WJBVZVXEWPABDI-UHFFFAOYSA-N 365.454 4.477 0 40 FIAB CCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1OC 2236540 IVQDGNQANILRQS-UHFFFAOYSA-N 369.446 4.117 0 40 FIAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2cccs2)cc1 2446489 JOVMGMZFXVTCIX-QFUCXCTJSA-N 371.502 4.265 0 40 FIAB COc1ccccc1C(=O)COC(=O)C(c1ccccc1)c1ccccc1 3240941 WOKKFVFSTGBLBB-UHFFFAOYSA-N 360.409 4.253 0 40 FIAB COC(=O)c1cc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)oc1C 3377185 MCEJCSLHFYYSRC-UHFFFAOYSA-N 367.401 4.092 0 40 FIAB COc1ccccc1[C@H](CNc1ncnc2sc(C)c(C)c12)N(C)C 3456083 ILSBBOYTMAJXHE-HNNXBMFYSA-N 356.495 4.032 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1F 3554793 SKFKLHNISHMJSW-UHFFFAOYSA-N 357.303 4.122 0 40 FIAB CCOc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 4088017 LLPPYVRKRVGXLL-UHFFFAOYSA-N 371.487 4.481 0 40 FIAB COc1ccc(-n2nnnc2C2(Nc3ccccc3C)CCCCC2)cc1 4550856 JUERNMJPZPVUEH-UHFFFAOYSA-N 363.465 4.251 0 40 FIAB CC(C)(C)c1csc(SCC(=O)Nc2cccc3nsnc23)n1 4668911 FXDSUUPTNIWQJJ-UHFFFAOYSA-N 364.521 4.176 0 40 FIAB COC(=O)Cc1c(C)c2ccc(OCc3ccccc3Cl)cc2oc1=O 5100995 ZZKTXALIARMXEL-UHFFFAOYSA-N 372.804 4.049 0 40 FIAB O=C(c1cccs1)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5478027 WYSKVKOLVZYRPG-IMFGXOCKSA-N 359.466 4.396 0 40 FIAB O=C(Nc1cccnc1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 5516315 QJTNNVLPQXWWEA-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB COc1ccc(-c2nc(COC(=O)Cc3ccc(F)cc3)cs2)cc1 5634674 NCULMQLCJCIGFN-UHFFFAOYSA-N 357.406 4.244 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(SC(F)F)cc1 5798501 GNYMLGTVNWYIQB-HNNXBMFYSA-N 367.373 4.300 0 40 FIAB CCCCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1OC 6833896 RULXTBAOGPVWNY-UHFFFAOYSA-N 359.422 4.144 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ncccn1 6912023 CWJORUQZYLSXKI-UHFFFAOYSA-N 371.384 4.015 0 40 FIAB COc1ccc(OCc2nnc(SCc3ccc(C)cc3)n2C)cc1 7236151 UMFUZAJBCLKZPP-UHFFFAOYSA-N 355.463 4.003 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@H](C)C3CC3)c2n1 7896876 UATYENMUJZIDDN-SNVBAGLBSA-N 353.249 4.144 0 40 FIAB Cc1cccn2cc(CSc3ncnc4c3cnn4-c3ccccc3)nc12 7942724 SBCSTBXORFGVDE-UHFFFAOYSA-N 372.457 4.064 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 8087817 FNSZMZHBIZOQBU-SFHVURJKSA-N 350.462 4.111 0 40 FIAB C=C1c2ccccc2N=C(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)N1C 8394584 DXRNCMDITBJXFO-LBPRGKRZSA-N 372.881 4.399 0 40 FIAB CCn1/c(=N\C(=O)c2ccc(OC(C)C)cc2)sc2cc(F)ccc21 8654195 SJAOYSNRZPFNPO-XUTLUUPISA-N 358.438 4.390 0 40 FIAB COc1cc(N[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc(OC)c1 8747355 ZNWWGMQZGKVNIQ-LLVKDONJSA-N 368.355 4.162 0 40 FIAB O=C(Nn1cnc2ccccc21)c1csc(-c2ccc(Cl)cc2)n1 8778802 AXLROHDLZIMHGV-UHFFFAOYSA-N 354.822 4.197 0 40 FIAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 8845613 RLPVVCIXCXGYRK-QGZVFWFLSA-N 374.227 4.264 0 40 FIAB CCCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc2nccnc2c1 11027277 VNHYOTZAEIEXCK-OAQYLSRUSA-N 358.445 4.416 0 40 FIAB CSc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)o2)cc1 11595829 HKKCROMQFKCMTI-UHFFFAOYSA-N 361.448 4.091 0 40 FIAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccccc1Nc1ccccc1 12537312 CDUBIHULDZMBEF-GOSISDBHSA-N 374.440 4.342 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc(C)c(C)s2)c1 12614297 XUTKZRXMESQZGC-UHFFFAOYSA-N 373.507 4.018 0 40 FIAB COc1ccc(-c2cc(COC(=O)c3ccc(Cl)cc3)no2)cc1OC 12726675 PSZINPJJBYWHHM-UHFFFAOYSA-N 373.792 4.369 0 40 FIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1F 12819747 PRGKDPDSSXMHOF-ZDUSSCGKSA-N 364.848 4.255 0 40 FIAB COc1ccccc1NC(=O)CCC(=O)c1ccc(Br)cc1 12868291 SXFWMPMOMWXAPU-UHFFFAOYSA-N 362.223 4.059 0 40 FIAB CCCCc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)cc1 12908582 REAWYLDKXITUAX-CYBMUJFWSA-N 361.388 4.491 0 40 FIAB COc1cccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 13669663 BJKGHCMBBUFWEQ-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB O=c1[nH]c(-c2cccc(Br)c2)nc2sc3c(c12)CCCC3 16386262 OXMDMSHPUIXMEV-UHFFFAOYSA-N 361.264 4.293 0 40 FIAB COc1ccccc1CN1CCC[C@H](c2nnc(-c3ccc(C)s3)o2)C1 19217639 CWHGKWVUWDWXEV-INIZCTEOSA-N 369.490 4.495 0 40 FIAB CCOC(=O)c1c(C)noc1NC(=O)Nc1ccc(Cl)c(Cl)c1 19897584 RFPBZHSAWGAKCZ-UHFFFAOYSA-N 358.181 4.111 0 40 FIAB C[C@H]1CN(Cc2csc(=S)n2-c2c(F)cccc2F)C[C@H](C)O1 20444795 SCXNZAJOVQPDFV-QWRGUYRKSA-N 356.463 4.156 0 40 FIAB COc1cccc(O[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)c1 22524916 RUCKTEDXNVAGHP-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(F)cc2C)cc1 22743735 HHACDHXVQWAEOA-UHFFFAOYSA-N 356.426 4.002 0 40 FIAB Cc1nc2sc([C@H](c3cccc(F)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 23157377 LCHHKAQCJBIDHU-MKBNYLNASA-N 374.485 4.011 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)CCc3ccsc3)CC2)c(C)c1 24453320 BMZAFYGAOKYPSP-UHFFFAOYSA-N 355.503 4.419 0 40 FIAB Cc1ccsc1CNC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 24696065 KDAAMQIUHFFZAN-UHFFFAOYSA-N 368.433 4.378 0 40 FIAB COc1cccc(OCc2ccc(C(=O)N3c4ccccc4C[C@H]3C)o2)c1 28224917 RSWSCBLWUUBDLR-OAHLLOKOSA-N 363.413 4.459 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2C)NC(=S)N1 28464941 FRXRWHVCYNWOBK-IBGZPJMESA-N 365.502 4.043 0 40 FIAB CCN1CCC(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 29607158 PYRUOLIMRLVLDT-UHFFFAOYSA-N 367.276 4.468 0 40 FIAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)cnn1-c1ccccc1 30470650 QAVNUSKTCZZIJX-UHFFFAOYSA-N 361.401 4.209 0 40 FIAB COc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1Br 30982683 CCYARLKDUCLSSS-LBPRGKRZSA-N 363.255 4.018 0 40 FIAB Cc1ccc2nc(CSc3nnc(C(C)C)n3Cc3ccco3)cn2c1 31172399 YTFGYCPZHYUMKO-UHFFFAOYSA-N 367.478 4.291 0 40 FIAB CCc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326237 CVAWBWKEEZGDOF-UHFFFAOYSA-N 352.459 4.466 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3c(C)nn(C)c3n2)cc1 36616883 WPGFFRZVMOHFGG-HNNXBMFYSA-N 362.477 4.124 0 40 FIAB CC(C)(C)c1cn2nc(NCc3ccccc3OC(F)F)sc2n1 40051245 FRGHYHHNXJCXOL-UHFFFAOYSA-N 352.410 4.302 0 40 FIAB O=C([C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)N1CCCCCC1 40073302 QGWFYXVVSGDZRT-MRXNPFEDSA-N 369.292 4.001 0 40 FIAB CCOC(=O)c1csc2nc(-c3cccc(Br)c3)cn12 40440696 SWEMMRSROZSPTK-UHFFFAOYSA-N 351.225 4.002 0 40 FIAB O=C(CSCc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 44873293 AXRPMYWQGUBYOV-UHFFFAOYSA-N 368.546 4.222 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OC 45383266 IIWVFSRGTVMGEA-CABCVRRESA-N 359.491 4.370 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(F)cc2C)cc(-c2ccccn2)n1 49007154 XDYDHAOKXPTZEK-UHFFFAOYSA-N 368.437 4.025 0 40 FIAB COc1ccc(NC(=O)N2CCCCCCC2)cc1N1CCCCC1=O 57540688 ULEAATPQLAFRGB-UHFFFAOYSA-N 359.470 4.010 0 40 FIAB OCCOc1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1 58015590 AFFBKJGJNHWBAO-UHFFFAOYSA-N 371.440 4.280 0 40 FIAB CSc1nc2ccc(NC(=O)N(C)Cc3cnc(C)s3)cc2s1 58264282 QHPSMDACLDEOCA-UHFFFAOYSA-N 364.521 4.447 0 40 FIAB Cc1nnc([C@H]2Cc3ccccc3CN2Cc2nc3ccccc3s2)o1 58418994 KORPFCIHRRQNRO-QGZVFWFLSA-N 362.458 4.287 0 40 FIAB C[C@@H]1CCCN(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 63403780 HNILMKIVNIKSQS-OAHLLOKOSA-N 357.429 4.345 0 40 FIAB Cc1cnc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)cn1 63530054 NDEFQIVFYPQUKH-UHFFFAOYSA-N 352.825 4.303 0 40 FIAB COc1ccc(N(C(=O)c2cc(C)nc3onc(C)c23)[C@@H](C)C2CC2)cc1 65475639 UJLHHWZEKJXRLS-AWEZNQCLSA-N 365.433 4.294 0 40 FIAB CC(C)(C)c1ccc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1 70639946 NKIJEAKLQTZRSB-KRWDZBQOSA-N 365.395 4.466 0 40 FIAB O=C(CCn1ccc2ccc(Cl)cc21)N1CCO[C@H](c2ccccc2)C1 72403582 MQQWXMZHMXHWAH-FQEVSTJZSA-N 368.864 4.285 0 40 FIAB C[C@H]1CN(C(=O)c2ccc(CSc3nccn3C)o2)c2ccccc21 77216234 GMKMQWYZQCFGIP-ZDUSSCGKSA-N 353.447 4.069 0 40 FIAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccccc1Br 85651548 FMQKFDIUWNTMMZ-UHFFFAOYSA-N 368.234 4.467 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NC1CCN(c2cccc(F)c2)CC1 95399296 GLHMIVCLHZTZJK-UHFFFAOYSA-N 360.860 4.197 0 40 FIAB CCOc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222667810 UYDQDJDBWUKODL-NIKGAXFTSA-N 353.491 4.460 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)ccc1Cl 222843091 HLNPUKQLXPTAQK-AWEZNQCLSA-N 374.868 4.193 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SCC(C)C)s1 223299433 HZEORPLVEUMLAX-AWEZNQCLSA-N 365.524 4.391 0 40 FIAB CCc1ccc(CCC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 223306151 YYKURHRSCKNZSC-UHFFFAOYSA-N 367.474 4.347 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2ccccc2C(C)(C)C)c1 223705160 OKAKCMHCZMWVSB-UHFFFAOYSA-N 369.505 4.483 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)Nc3cccc(C(C)=O)c3)o2)c1 224848023 LVBSUQHKAICXPM-UHFFFAOYSA-N 364.401 4.124 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(N2CCCC2)cc1 224924770 NKSPSKCJVZRCDO-HXUWFJFHSA-N 354.450 4.092 0 40 FIAB O=C(O)[C@H](Cc1cccc(Br)c1)Oc1ccccc1Cl 225062939 JJLMCOAXCRXPSQ-AWEZNQCLSA-N 355.615 4.177 0 40 FIAB S=C1NC2(CCCCCCC2)NN1c1ccc(Br)cc1 225348132 UEOOXJNGIOWATR-UHFFFAOYSA-N 354.317 4.089 0 40 FIAB COc1ccc2c(c1)OCCN([C@H](C)c1nc(-c3ccccc3C)no1)C2 585080543 MTNGPALUXIRGOE-OAHLLOKOSA-N 365.433 4.009 0 40 FIAB Cc1ncccc1-c1noc([C@H](C)N2CCC(Cc3ccccc3)CC2)n1 585084356 ORNSRGJAWIWXRZ-KRWDZBQOSA-N 362.477 4.456 0 40 FIAB FC(F)(F)c1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1 632776 QKQNNCMLYRGTGH-UHFFFAOYSA-N 360.364 4.462 0 40 FIAB Cc1ccccc1OCCn1c(NC(=O)c2ccco2)nc2ccccc21 924112 OLZLONJMHKSPRW-UHFFFAOYSA-N 361.401 4.269 0 40 FIAB Cc1ccc(NC(=S)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 1358299 ALLZJSJBJOSAEM-OAHLLOKOSA-N 350.491 4.448 0 40 FIAB CCOc1ccc([C@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1 1468040 YKFVOHSJIAUFDT-MRXNPFEDSA-N 369.421 4.360 0 40 FIAB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1Cl 1510955 LXXNWMDHBKNBBA-SFHVURJKSA-N 370.836 4.054 0 40 FIAB CC(C)(C)OC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2255392 QEDUKIWTQVWGBJ-UHFFFAOYSA-N 374.444 4.170 0 40 FIAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1 2264274 KCMIWDGFFJHINF-UHFFFAOYSA-N 370.478 4.149 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1ccccc1Cl 2483837 GLGNLNAEAKAPEN-SFHVURJKSA-N 371.845 4.334 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)cc1 3072866 DZXAZVPXQTXKOZ-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1C 3519445 NJABSCQEJNCMFM-UHFFFAOYSA-N 371.437 4.125 0 40 FIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)OCO2 4249085 KGJSZRATFREFIH-UHFFFAOYSA-N 363.398 4.044 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C)cc1 4680541 HCDDCNVYKYHGHT-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB COc1ccc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1OC 5361794 HUQZJLLABRIXBN-UHFFFAOYSA-N 374.458 4.074 0 40 FIAB CCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2)cc1OC 5559746 NQNMVJBYYXLMII-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB CCN(c1ccc(NC(=S)NCc2ccc(OC)cc2)cc1)C(C)C 5939256 GPHICUGKQLJMRA-UHFFFAOYSA-N 357.523 4.417 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccccc1 6273651 RABPVWYPEVZQAU-IBGZPJMESA-N 354.450 4.013 0 40 FIAB CCOc1ccccc1[C@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 6357338 TUCDXOFJSOFFJW-SFHVURJKSA-N 371.506 4.342 0 40 FIAB COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCO3)CC2 6787976 WVQJDUACBLXETL-GXDHUFHOSA-N 359.381 4.237 0 40 FIAB Cc1cccc(Oc2ccc(NC(=O)CNC(=O)Cc3ccccc3)cc2)c1 6982025 NKZZISSTAMGOCQ-UHFFFAOYSA-N 374.440 4.085 0 40 FIAB CN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1cccc(Cl)c1Cl 7292738 MAIQDGLREJVZIE-UHFFFAOYSA-N 370.280 4.349 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(C)cc1 7308867 SECYMTLYVNXPRU-LBPRGKRZSA-N 374.325 4.249 0 40 FIAB O=C1[C@H]2CS[C@H](c3ccc(F)cc3)N2C(=O)N1c1ccc(Cl)cc1 8514070 VXPKRYQJIBJFDE-GDBMZVCRSA-N 362.813 4.062 0 40 FIAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccccc1 8752560 KXZCOAGZMGHKDI-UHFFFAOYSA-N 361.323 4.327 0 40 FIAB O=C(CSc1nc2ccccc2s1)NCCCOCc1ccccc1 9755823 RHMZASDFKDNSEL-UHFFFAOYSA-N 372.515 4.112 0 40 FIAB O=C(c1ccno1)N(Cc1ccccc1)c1nc2c(F)cccc2s1 10254153 PWUXVSGBSSQIIT-UHFFFAOYSA-N 353.378 4.270 0 40 FIAB CC[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Br)cc1 10402462 XKLRETBBIFZIGX-AWEZNQCLSA-N 373.254 4.203 0 40 FIAB CSc1ccc(CN(C)CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cc1 11223333 QKCLQVRDFLTGPX-OAQYLSRUSA-N 374.525 4.493 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cncn1-c1ccc(F)cc1 11572377 HXRJNCUERZBADP-UHFFFAOYSA-N 364.424 4.172 0 40 FIAB Cc1ccccc1[C@H](NC(=O)Cn1ccc2ccc(F)cc21)c1ccncc1 12148531 MLERSVPIAMXERE-HSZRJFAPSA-N 373.431 4.390 0 40 FIAB CC(=O)c1cccc(Oc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c1 12390266 DDOOHPUQCPIMRT-UHFFFAOYSA-N 364.792 4.440 0 40 FIAB COc1ccc(CC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 12620983 OKJSALCHYJBZFO-UHFFFAOYSA-N 366.486 4.029 0 40 FIAB Cc1ccc(F)cc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12746816 VRWQMCIUPVZQDP-UHFFFAOYSA-N 351.337 4.491 0 40 FIAB CCCOc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc1 12925150 OKUQCQOMGPUWPF-AWEZNQCLSA-N 355.434 4.450 0 40 FIAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCc2sccc2C1 13006508 WVTJEPWOZBTIJN-FQEVSTJZSA-N 365.498 4.213 0 40 FIAB O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@H](c2nc3ccccc3s2)C1 14230406 NDIWEFYHOVBTPE-YJBOKZPZSA-N 364.470 4.006 0 40 FIAB CSc1ccccc1NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 14244222 RIYMVWGULAKQJH-SFHVURJKSA-N 352.459 4.311 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cccc(C)c2)c(OC)c1 15830654 UXJOUDVJQBESHO-RGFVMQALSA-N 351.446 4.389 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 16260451 KMZBBGLNCCVIER-UHFFFAOYSA-N 352.415 4.177 0 40 FIAB COc1ccc(NC(=O)[C@@H](Sc2nncs2)c2ccccc2)cc1 16815140 YAKLMILLRDJHRZ-HNNXBMFYSA-N 357.460 4.019 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2Cl)CC1 17119201 YICFQBWXPYRRPR-UHFFFAOYSA-N 368.786 4.321 0 40 FIAB Cc1c(-c2cncn2CCCC(C)(C)CO)c(-c2ccccc2)nn1C 19719403 NBQNOVXWUUGTLF-UHFFFAOYSA-N 352.482 4.058 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)COc2ccccc2-c2ccccc2)c1 21139286 FTKHCBHAMRXIDA-UHFFFAOYSA-N 374.440 4.073 0 40 FIAB CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(F)c(C)c3)sc2n1 22611458 CZLMOMDXIAEBDP-UHFFFAOYSA-N 357.454 4.248 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@@H](c1ccccc1)N(C)C 22787592 CXOWQXAKORYSFI-QFIPXVFZSA-N 366.484 4.021 0 40 FIAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)s1 25616699 UXJWXYHDRIPKRN-CYBMUJFWSA-N 354.431 4.427 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)cc1C 28464226 YKAUBICESAHXJT-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB CCN1CCN(c2ccc(NC(=O)Nc3cccc(C)c3)c(C)c2)CC1 29617193 ALCYWEWQADIHBD-UHFFFAOYSA-N 352.482 4.089 0 40 FIAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccccc4C)ncnc3c2c1 33172487 DIZVBNVZGYXTJO-UHFFFAOYSA-N 362.458 4.459 0 40 FIAB CCOP(=O)(OCC)[C@H](NC(=O)/C=C\c1ccco1)c1ccccc1 33584571 KISICDDZZFNCDM-SQVRQVGWSA-N 363.350 4.374 0 40 FIAB COc1ccc([C@H]2CC(=O)Nc3c(-c4cccc(F)c4)nsc32)cc1 35324520 IMAGHGDSXSFNFZ-OAHLLOKOSA-N 354.406 4.432 0 40 FIAB C[C@H]1Cc2cc(-c3cc(CNC(=O)c4ccccc4Cl)no3)ccc2O1 35589962 UZQFPRNABLSUIZ-LBPRGKRZSA-N 368.820 4.248 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2C)cc1 37471619 OYFFPOCBRQYALS-DYESRHJHSA-N 352.478 4.018 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2ccc(-n3cccn3)cc2)cc1OC 45004522 KBQOFIFHYZHLDA-HXUWFJFHSA-N 363.461 4.227 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2[nH]c(C)cc2c1 46059308 BWIARUDRHMZDBO-OAQYLSRUSA-N 359.429 4.379 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(OCC)cc3)[nH]n2)cc1 51315426 FURKEEYHNFVTRH-UHFFFAOYSA-N 351.406 4.126 0 40 FIAB O=C(COC1CCCCC1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 53547604 HVGOCYNEATZPLA-UHFFFAOYSA-N 353.466 4.174 0 40 FIAB Cc1nc2cc(Nc3cc(Cl)nc(N)n3)ccc2n1-c1ccccc1 58620858 KFEAOMQAKXMNNA-UHFFFAOYSA-N 350.813 4.103 0 40 FIAB CCN(CC)[C@@H](CNC(=O)Nc1ccccc1Br)CC(C)C 58823438 NXDFTCHCPLYDBL-CQSZACIVSA-N 370.335 4.327 0 40 FIAB COc1ccc(CCC(=O)Nc2cccc(-n3cccc3)c2)cc1OC 61717701 PBNFDPLXWRAAPQ-UHFFFAOYSA-N 350.418 4.066 0 40 FIAB C[C@@H](COCC(F)(F)F)NC(=O)N1CCC[C@H]1c1ccccc1Cl 67532866 LDEGXPUISSHYFE-FZMZJTMJSA-N 364.795 4.154 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1SC(C)(C)C 72217405 BVYUBHNAMGRSBQ-UHFFFAOYSA-N 352.500 4.460 0 40 FIAB CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)CCC(=O)c1ccc(C)s1 95457865 ALFFADDILFGQSS-YJYMSZOUSA-N 363.454 4.051 0 40 FIAB CCCCc1ccc(NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)cc1 100898944 JFMOMVOZKKRDOI-OXJNMPFZSA-N 363.523 4.166 0 40 FIAB Cc1cccc(NC2CCN(C(=O)c3cc(C4CCCCC4)n[nH]3)CC2)c1 135612805 QOYOOTFFGKVWET-UHFFFAOYSA-N 366.509 4.483 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 216266531 YSNJWNXJPUNVJZ-IBGZPJMESA-N 365.470 4.041 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)COc1ccc(C)cc1 219367633 GZMSQOLHTRZTNI-XLIONFOSSA-N 355.478 4.353 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1c(F)cccc1Cl 219482446 ZCSLBHBJSXEWIN-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219546118 SUPBQKJRYCDBIQ-QFBILLFUSA-N 353.462 4.489 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222751482 ZJOLUQNCCPQZHS-SFHVURJKSA-N 356.510 4.211 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222853339 RGMPRXKNIAHLKL-PMACEKPBSA-N 362.502 4.253 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225833724 HHNSIJGVAKPBIE-HNAYVOBHSA-N 357.450 4.047 0 40 FIAB Cc1cc(O)ccc1N1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 408534328 QJIQTDKLJMJBGK-UHFFFAOYSA-N 372.424 4.255 0 40 FIAB Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1C 408674233 YOPUDNSETLAXJL-KDURUIRLSA-N 374.440 4.011 0 40 FIAB O=C1CC[C@]2(CCCN(Cc3ccncc3)CC2)N1CC1CCCCC1 585100865 ZLIZZQZOROVUHP-QFIPXVFZSA-N 355.526 4.009 0 40 FIAB O=C(c1cc2cc(F)ccc2o1)N1CCC[C@@](CO)(Cc2ccccc2)C1 643307091 FTSWDKGHJLREEP-JOCHJYFZSA-N 367.420 4.029 0 40 FIAB COc1ccc(SCCC(=O)Nc2ccc(-n3ccnc3)c(C)c2)cc1 1565581846 XSXHUVGBUIRTNI-UHFFFAOYSA-N 367.474 4.310 0 40 FIAB Cc1c(-c2nc(-c3cc(OC4CCC4)ccn3)no2)nc(O)c2ccccc12 1775997451 IXVQLWSDKWTMLS-UHFFFAOYSA-N 374.400 4.292 0 40 FIAB Cc1ccc(CN2CCCC[C@@H]2C2CCN(c3ccc(C)nn3)CC2)cc1 2056226088 JXSZPFKXOCFBOD-JOCHJYFZSA-N 364.537 4.365 0 40 FIAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 704855 BUKMRUKQAKTXLM-UYRXBGFRSA-N 363.413 4.254 0 40 FIAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 991208 SNRATQFBTLMJHB-ZWKOTPCHSA-N 351.402 4.393 0 40 FIAB CCCc1nc(SCC(=O)Nc2ccccc2F)c2ccccc2n1 1342748 VLYMXWKSSAZCGA-UHFFFAOYSA-N 355.438 4.452 0 40 FIAB Cc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1 1342773 DBCSMIDEJUBCHC-UHFFFAOYSA-N 353.472 4.332 0 40 FIAB COc1ccc2c(c1)Cc1c-2cc(Br)c(N)c1Br 1714594 KSZIFVXYCCICSK-UHFFFAOYSA-N 369.056 4.374 0 40 FIAB COc1ccc2c(c1)c(CC(=O)O)c(Br)n2Cc1ccccc1 1873040 KQIFSNJLIOFAEJ-UHFFFAOYSA-N 374.234 4.088 0 40 FIAB CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 2069802 HDBSDVDDUZHIPU-UHFFFAOYSA-N 369.200 4.398 0 40 FIAB Cc1ccc([C@]2(C(F)(F)F)NC(=O)c3ccc(OC(C)C)cc3O2)cc1 3180028 MWZFEPPQJKXDFO-SFHVURJKSA-N 365.351 4.320 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 3368506 ZLALGXVLRUSZNU-UHFFFAOYSA-N 359.369 4.257 0 40 FIAB O=[S@](CC(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 4002083 OBLYXXRZYGHQDU-DEOSSOPVSA-N 356.874 4.384 0 40 FIAB ClC(Br)=C(n1cnc2ccccc21)n1cnc2ccccc21 4083148 MNRSVPHXFPIBDW-UHFFFAOYSA-N 373.641 4.469 0 40 FIAB CSc1cccc(-n2nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1 4316657 TUVIVDCYBDOOJB-UHFFFAOYSA-N 358.854 4.203 0 40 FIAB COc1ccc2c(COC(=O)c3cc4c(s3)CCCC4)cc(=O)oc2c1 4461606 QRAQQHGQDRYTEF-UHFFFAOYSA-N 370.426 4.099 0 40 FIAB FC(F)(F)c1cccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c1 4543682 XKTXQWDKYHVSOI-UHFFFAOYSA-N 369.734 4.493 0 40 FIAB CCCNC(=O)CSc1nc(-c2ccc(C)cc2)nc2ccccc12 4895095 DZQPVYBTVIZKIN-UHFFFAOYSA-N 351.475 4.224 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)C[C@@H](OC(C)=O)C[C@H]12 4946313 QLFBIUISXGEBLE-NDYOWHOSSA-N 356.462 4.400 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N1CCCC1 5174476 FDHRIRHVOWMQRH-UHFFFAOYSA-N 363.486 4.254 0 40 FIAB CC[C@@H]1CCc2sc(C(=O)NCC(=O)Nc3c(C)cccc3C)cc2C1 5273316 FRHDIZUVSVZECC-OAHLLOKOSA-N 370.518 4.248 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1C 5324217 CRAHZBFQALXVQN-UHFFFAOYSA-N 367.880 4.401 0 40 FIAB CCCCN1C(=O)c2cccc3c(C(=O)c4ccccc4)ccc(c23)C1=O 5553361 ZWWBZVZWLUNEFP-UHFFFAOYSA-N 357.409 4.467 0 40 FIAB CC[C@@H](C(=O)Nc1nnc(-c2cccc(OC)c2)s1)c1ccccc1 5562293 YWCYOQXNYKMQMY-MRXNPFEDSA-N 353.447 4.346 0 40 FIAB CSc1ccccc1C(=O)N[C@H](C(=O)OCCC(C)C)c1ccccc1 5843044 HRAMWEJGRQCJGH-IBGZPJMESA-N 371.502 4.469 0 40 FIAB CC1CCN(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)CC1 6051640 ABYYXLLBGVOBPG-UHFFFAOYSA-N 364.656 4.062 0 40 FIAB NC(=O)N[C@@H](CC(=O)Nc1ccc2ccccc2c1)c1ccccc1Cl 6543557 UHYQMRIMVZRYDU-SFHVURJKSA-N 367.836 4.231 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1Cl 6627193 VBNLEILJPATNKN-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCCc1csc(-c2cccs2)n1 6661319 IVQSBHCIVHBWJM-UHFFFAOYSA-N 362.907 4.426 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 6662607 SKWDZEOBWIUHJR-AWEZNQCLSA-N 352.434 4.293 0 40 FIAB CC(=O)c1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 6719653 LASJEISRDXSXLA-UHFFFAOYSA-N 374.425 4.208 0 40 FIAB Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 6767199 MBWPEBCCKNLACT-CQSZACIVSA-N 367.836 4.072 0 40 FIAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc2ccccc2c1 6886199 BOUGQAOAASKVOV-UHFFFAOYSA-N 371.425 4.258 0 40 FIAB Cc1c(Br)c(C=O)c(C)n1-c1ccc(Br)cc1 7277473 LEJVCSMNBXJSBO-UHFFFAOYSA-N 357.045 4.432 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)c2cccnc2Cl)cn1 7382559 CTXHWYQWYHREFP-UHFFFAOYSA-N 355.781 4.183 0 40 FIAB CCc1nnc(S/C(=C\c2c(OC)ccc3ccccc23)C(=O)O)o1 7508221 YDSXFKCSSKZCIQ-GDNBJRDFSA-N 356.403 4.012 0 40 FIAB C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccc(-n2ccnc2)cc1 8012728 DWLWXYDUEVKNJP-CQSZACIVSA-N 351.475 4.304 0 40 FIAB COc1ccccc1C[C@@H]1SC(=O)N(Cc2ccc(Cl)cc2)C1=O 8169205 HVBFIKFYNDBAEI-INIZCTEOSA-N 361.850 4.155 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3ccccc3)c2C)c1 8275089 ROAMWRPADRETCW-UHFFFAOYSA-N 362.433 4.395 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)Nc2cccc(C)n2)cs1 10431172 IQATTZIJWBKFCA-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cnn(-c2ccccc2)c1 10800364 ZIFRPGXXOLVSRO-UHFFFAOYSA-N 359.385 4.193 0 40 FIAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)Nc1ccc(F)cc1F 11009379 AMCRRZLIFLORKB-UHFFFAOYSA-N 357.316 4.454 0 40 FIAB Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c2c1[C@H](C)CC2=O 11052682 JJBXPSLGPZSLRK-CRAIPNDOSA-N 363.457 4.258 0 40 FIAB Cc1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c(Cl)c1 11328182 BEVIDGLDLGUNOS-UHFFFAOYSA-N 367.836 4.272 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc1 11654453 OJUJJUWETXOIJO-NSHDSACASA-N 354.233 4.086 0 40 FIAB Cc1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1N1CCCC1=O 11760509 BGTUYSZVCWBTHN-UHFFFAOYSA-N 356.853 4.347 0 40 FIAB O=C(CCCc1ccncc1)N[C@H](Cc1ccsc1)c1nccs1 12226845 PAPDBBBUPKAGSO-MRXNPFEDSA-N 357.504 4.023 0 40 FIAB Cn1c(C[C@@H](NC(=O)C[C@H]2C=CCC2)c2ccccc2)nc2ccccc21 12604273 CXGSNDSEQQIFAP-FXAWDEMLSA-N 359.473 4.330 0 40 FIAB Clc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12668437 MQFVNJQYLOCDFI-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)ccc1C 12799054 VQGRBTQZFFYIOY-UHFFFAOYSA-N 366.442 4.314 0 40 FIAB Cc1ccc(C)c(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)c1 12983925 ZJOIPCGKAYVXRL-UHFFFAOYSA-N 350.384 4.393 0 40 FIAB O=c1[nH]c2c(Cc3ccccc3)cccc2cc1CNCc1ccccc1 13566534 LRYLAMPTFNIZGF-UHFFFAOYSA-N 354.453 4.409 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 14404683 LESBYMLZXNNGRK-UHFFFAOYSA-N 368.824 4.185 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2oc3c(Cl)cccc3c2C)cc1 14632179 NNJPZGDLZFKPID-UHFFFAOYSA-N 370.836 4.414 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 14739348 RZNONLAQCDOFJL-LJQANCHMSA-N 364.489 4.148 0 40 FIAB CC(C)OC(=O)Cn1c(SCCOc2ccccc2)nc2ccccc21 15833293 XPNYVEITSFGZMM-UHFFFAOYSA-N 370.474 4.159 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccccc1Cl 16017365 LNNMOTFUKZTEJW-WDEREUQCSA-N 360.866 4.264 0 40 FIAB Fc1ccccc1COc1ccc(Br)cc1CNC1CC1 16449933 XKCZBHFDKJSGPX-UHFFFAOYSA-N 350.231 4.419 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20491578 SLNIECFHOVNDLV-OAHLLOKOSA-N 368.477 4.183 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1 24218178 YMHHOWGPQLDKQJ-OAHLLOKOSA-N 356.491 4.087 0 40 FIAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCOCC1 24638726 YOOCGVVGTVBQCT-UHFFFAOYSA-N 354.431 4.454 0 40 FIAB O=C(Nc1ccc(-n2cccn2)cc1)c1cc(-c2ccc(Cl)cc2)on1 24710965 CYKOWSYLUNDWHR-UHFFFAOYSA-N 364.792 4.433 0 40 FIAB C[C@@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)c1ccc(Cl)cc1 25108442 BRNFPTXOWUWUQX-QLJPJBMISA-N 365.212 4.112 0 40 FIAB C[C@H](NC(=O)N[C@@H](C)c1cccs1)c1ccc(NC(=O)C2CC2)cc1 26242938 VQCXMMGMONKKHH-STQMWFEESA-N 357.479 4.218 0 40 FIAB CCOc1ccc(NC(=O)CSCC(=O)Nc2cc(C)ccc2C)cc1 28183501 YCYRFTBFRLRWGF-UHFFFAOYSA-N 372.490 4.013 0 40 FIAB COc1ccc(CN(C)C(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OC 28203011 WUJDYRDWWRKHFK-OAHLLOKOSA-N 359.491 4.151 0 40 FIAB Cc1cc(C)c2cc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)[nH]c2c1 28623532 KGEZMCVZUACSHX-MRXNPFEDSA-N 358.445 4.461 0 40 FIAB Cc1cnc2c(S(=O)(=O)N[C@@H](C)c3ccccc3Cl)cccc2c1 29326294 FDUJZHCJVDXCLN-ZDUSSCGKSA-N 360.866 4.236 0 40 FIAB O=C(NCc1cc(F)cc(F)c1)c1ccccc1C(=O)c1ccccc1 30159593 OPENXZPCGHDMTI-UHFFFAOYSA-N 351.352 4.126 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(Cl)ccc2F)c1 32768803 PAKTYXMLEIUKDI-QGZVFWFLSA-N 363.816 4.474 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCC#N 32791078 AQKSWUJSWRYGGD-XNTDXEJSSA-N 351.793 4.096 0 40 FIAB Cc1ccc(CCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1Cl 32847997 UOJQTUZEBCJIIA-UHFFFAOYSA-N 370.880 4.024 0 40 FIAB CC(C)(C)c1ccc(OCCNC(=O)c2cc(-c3ccco3)on2)cc1 32871990 FNRKKYNUACPAEV-UHFFFAOYSA-N 354.406 4.041 0 40 FIAB Cc1cccc(CSCCNS(=O)(=O)c2ccc3ccccc3c2)c1 33409151 VIEQLFHIUIDDGX-UHFFFAOYSA-N 371.527 4.360 0 40 FIAB Brc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1 34405301 VUXYWIBSPSRHON-UHFFFAOYSA-N 355.279 4.128 0 40 FIAB in-vitro O=C(Nc1cc(F)ccc1F)C1CCN(c2nc3ccccc3s2)CC1 35313165 LXOPGTJMXIUNMZ-UHFFFAOYSA-N 373.428 4.430 0 40 FIAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(F)c1 35685028 JOGIEBVGDYFMQH-INIZCTEOSA-N 364.380 4.169 0 40 FIAB Nc1ccc(NC(=O)c2cccc(Br)c2)c(Br)c1 36738467 UWEOXPKMRGHHFA-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB Cc1ccc(OCCCCNC(=O)CCc2c[nH]c3ccccc23)cc1 40122476 YJFFQNAGNDCWMY-UHFFFAOYSA-N 350.462 4.384 0 40 FIAB Nc1cc(C(=O)Nc2cccc(Br)c2)ccc1Br 40293915 WWNNDPKOUJNTJI-UHFFFAOYSA-N 370.044 4.046 0 40 FIAB CCCCOc1ccc2cc(S(=O)(=O)NCc3ccco3)ccc2c1 41091719 IGWJUGKZHNWLQC-UHFFFAOYSA-N 359.447 4.090 0 40 FIAB O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 49568611 AUBASQUVLJYPAO-WWPVKYPJSA-N 374.528 4.151 0 40 FIAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc(C3CC3)on2)cn1 58224673 JQMHCLYQWCMKKE-UHFFFAOYSA-N 365.389 4.309 0 40 FIAB O=c1c2ccccc2ncn1Cc1ccc(OCc2ccc(F)cc2)cc1 58418192 XIRYPSYZLDUETM-UHFFFAOYSA-N 360.388 4.163 0 40 FIAB CCN(C(=O)COC(=O)c1cc2sc3ccccc3c2s1)C1CC1 58657403 XBYXXORXTRWTCW-UHFFFAOYSA-N 359.472 4.284 0 40 FIAB CN(C(=O)/C=C/c1cscn1)c1ccc(Br)cc1Cl 60246132 LAGHFUGMFCEEPO-HWKANZROSA-N 357.660 4.235 0 40 FIAB CC(=O)Nc1cccc(CNCc2cn(C)nc2-c2cc3ccccc3o2)c1 65593268 YBRWCSKNVOCKHO-UHFFFAOYSA-N 374.444 4.082 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc2ccccc2n1 66803150 IWSWNNRNGKSJSD-UHFFFAOYSA-N 369.428 4.082 0 40 FIAB O=C(NC1CCOCC1)c1ccccc1-c1ncc(-c2ccccc2F)o1 70018695 KURIDWYZHJMKEV-UHFFFAOYSA-N 366.392 4.057 0 40 FIAB O=C(NCc1ccc(F)c(Cl)c1)c1cn[nH]c1-c1ccc(Cl)cc1 72328902 HUDAJIFBVRVFEH-UHFFFAOYSA-N 364.207 4.453 0 40 FIAB Fc1ccc(OC[C@@H]2CCCO2)c(NCc2noc(-c3ccccc3)n2)c1 75103469 SIPWXKOUEVWBPZ-INIZCTEOSA-N 369.396 4.046 0 40 FIAB COc1cccc(C[C@H]2CCCN2C(=O)Nc2cccc(C(C)=O)c2)c1 83862086 RRYRSWUMOMLAJU-LJQANCHMSA-N 352.434 4.137 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 84562575 PGWBFADDJKKRQQ-UHFFFAOYSA-N 358.441 4.443 0 40 FIAB Cc1cc(C)cc(OCCN(C)Cc2nnc(-c3cc(C)oc3C)o2)c1 89585487 ZXNCGJZAMMSFEN-UHFFFAOYSA-N 355.438 4.074 0 40 FIAB Cc1ccn2cc(C(=O)N(Cc3ccco3)c3ccc(F)cc3F)nc2c1 89700853 SEUQEZSRHJYSGK-UHFFFAOYSA-N 367.355 4.361 0 40 FIAB O=S(=O)(Cc1cccc(F)c1)NCc1ccccc1-c1ccsc1 96383494 ZQSAMLDVRGFUTJ-UHFFFAOYSA-N 361.463 4.174 0 40 FIAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1Cl 101277074 LHICTWHDJICCIU-GFCCVEGCSA-N 369.635 4.391 0 40 FIAB Cc1cccc(CN2CCC3(CC2)C(=O)N(c2ccoc2)c2ccccc23)n1 107358627 MOUZOYOPJLRJHW-UHFFFAOYSA-N 373.456 4.195 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SC(C)C)s1 223293779 QFGXFAXKEBLKSH-ZDUSSCGKSA-N 365.524 4.452 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cc2ccncc2)cc1 224601455 QFTRSETYBZVHNA-MRXNPFEDSA-N 362.429 4.087 0 40 FIAB O=C1OC[C@@H]2CCN(Cc3ccccc3Cl)Cc3ccc(F)cc3N12 225486272 AUHUSCQRKQSPLY-INIZCTEOSA-N 360.816 4.210 0 40 FIAB biogenic,in-vitro O=C(NCCc1cnc(-c2ccccc2)nc1)c1cccc2ccccc12 225591805 JNBMBBSVZDBADU-UHFFFAOYSA-N 353.425 4.269 0 40 FIAB CCSc1ccc(C(=O)[C@@H](Br)CBr)cc1 382685127 FAHHXQQODZOWAV-JTQLQIEISA-N 352.091 4.140 0 40 FIAB O=C(NCc1cncc(-c2ccoc2)c1)NCc1cccc2ccccc12 575620930 RWJQETUVMZPMRN-UHFFFAOYSA-N 357.413 4.494 0 40 FIAB Cc1cccc(Oc2ccccc2CNC(=O)N(C)CC2=CCCOC2)c1 660597829 BMSRWRJWMLXADU-UHFFFAOYSA-N 366.461 4.275 0 40 FIAB Cc1ccc(CNC(=O)N2CCC23CCOCC3)c(O[C@@H](C)CC(C)C)c1 683419268 IPWZUCUDFPRDSD-SFHVURJKSA-N 374.525 4.273 0 40 FIAB C[C@@H]1C[C@H](NC(=O)N[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)CO1 1230722321 FGHHLQHNBORZEV-SAIGTISXSA-N 364.489 4.324 0 40 FIAB O=C(NCCc1ccc(-c2ccco2)s1)Nc1ccc2c(c1)OCO2 2086896581 UVHPHPKFYSUTGC-UHFFFAOYSA-N 356.403 4.101 0 40 FIAB CC(C)(C)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 661830 VLHFJZBAZLIADA-LDADJPATSA-N 352.409 4.216 0 40 FIAB Cc1cccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)c1 875854 KXMFEVCIBZQMTI-UHFFFAOYSA-N 358.394 4.071 0 40 FIAB CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccc4ccccc4c3)C2=O)cc1 2193771 QNWURHHTJPLVNT-OAQYLSRUSA-N 374.440 4.373 0 40 FIAB O=C(Nc1cc2cc(Br)ccc2oc1=O)C1CCCCC1 2478477 GHYNSKWXTRCBCY-UHFFFAOYSA-N 350.212 4.074 0 40 FIAB Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 2914603 FMENOEMEXAGYRR-CVEARBPZSA-N 373.229 4.326 0 40 FIAB Cc1ccc2c(c1)SC1=N[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N12 3198161 LZXZFWUIOLLEKE-INIZCTEOSA-N 363.364 4.402 0 40 FIAB aggregator CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](CC)c1ccccc1 3216348 JVEXFANQUMKIKL-LJQANCHMSA-N 353.462 4.487 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)cc1 3250865 SQHAWPGCXASBRL-JTQLQIEISA-N 367.232 4.135 0 40 FIAB COc1ccc(C2=N/C(=C/c3ccc(OCCC(C)C)cc3)C(=O)O2)cc1 3320986 FALPCTTUTANFNN-XSFVSMFZSA-N 365.429 4.465 0 40 FIAB c1coc([C@@H](CNc2ncnc3sc4c(c23)CCC4)N2CCCC2)c1 3349311 MXYGIZIIOCUYNR-CQSZACIVSA-N 354.479 4.022 0 40 FIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)C1=CC=C2C1=CC(=O)OC1 4074105 CJAOKHQEBDVGKO-MCQCCYLVSA-N 354.490 4.330 0 40 FIAB biogenic COc1ccc2nc(Nc3nc4cc5c(cc4s3)OCCO5)sc2c1 4137838 ZQLQTFWSMINSMH-UHFFFAOYSA-N 371.443 4.429 0 40 FIAB aggregator CC(=O)O[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 4683827 CIRUKACHYPJCFT-VXFFBNABSA-N 358.863 4.154 0 40 FIAB O=C1[C@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=O)N1c1ccc(F)cc1 4704077 CMDSZHUGNGVCHB-ZBFHGGJFSA-N 362.813 4.062 0 40 FIAB CCn1c(SCCOc2ccccc2OC)nnc1-c1ccccc1F 4735880 ZHXZCAUDECPBPL-UHFFFAOYSA-N 373.453 4.284 0 40 FIAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3OC)CC2=O)cc1 4893514 UPFICDQOAQWXST-KRWDZBQOSA-N 366.461 4.029 0 40 FIAB COc1ccc(OC)c(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 5726754 PIUSVCGAXQSKSG-QGOAFFKASA-N 365.429 4.346 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2ccccc2Cl)c(=O)c2ccccc21 5737776 RBVSAEIOQXKFES-UHFFFAOYSA-N 370.836 4.413 0 40 FIAB Cc1ccc2nc(SCC(=O)N[C@@H]3CCCc4ccccc43)[nH]c2c1 6506614 SAUIABGZQZLXPP-MRXNPFEDSA-N 351.475 4.157 0 40 FIAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1F 7313167 YGYFUQIOAWQOCH-CQSZACIVSA-N 370.449 4.464 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccco3)cc12 7608247 FSHSRGRESUJQGW-UHFFFAOYSA-N 369.421 4.117 0 40 FIAB O=C(Nc1ncc(Cc2c(Cl)cccc2Cl)s1)c1cnccn1 7987806 VRPCXMRKQQJVEI-UHFFFAOYSA-N 365.245 4.083 0 40 FIAB Cc1ccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)n2C)cc1 8709972 GROLXXLXEMYCIQ-UHFFFAOYSA-N 369.881 4.384 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3ccc(C)c(Cl)c3)sc2c1 8904213 VRMFBELPTHBMGJ-UHFFFAOYSA-N 360.822 4.297 0 40 FIAB COc1cccc(-n2ccnc2SCc2nnc(-c3ccccc3)o2)c1 9367148 YYAFOADZJMTNAG-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(C)c(C)c3)CC2)c1 9876916 HUXKMPJLVLHBTC-UHFFFAOYSA-N 353.535 4.439 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccco1 9883594 AFGUOSMULMIEOW-JLTOFOAXSA-N 361.397 4.225 0 40 FIAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(F)cc1 11667298 OOMIJMBORGNZMR-CQSZACIVSA-N 363.392 4.308 0 40 FIAB O=C(c1cc2ccccc2c(=O)s1)N1CCC(Cc2ccccc2)CC1 12274431 YVTBEWPXJKHGHZ-UHFFFAOYSA-N 363.482 4.356 0 40 FIAB CC(=O)c1cccc(NC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)c1 12421871 DDTKLDRMUIXWLN-UHFFFAOYSA-N 374.318 4.414 0 40 FIAB CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N(C)Cc2ccc(C)o2)CC1=O 12975005 VMVIZBGZTKYSFR-DOTOQJQBSA-N 368.477 4.113 0 40 FIAB O=C(O)Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 13438738 OVEATJWDDLMEJO-UHFFFAOYSA-N 361.397 4.145 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Cn2cccn2)cc1 14197396 UTUFQAHJXLRJIE-UHFFFAOYSA-N 367.478 4.083 0 40 FIAB CCC(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 14404897 CTOXMNLZSULTOA-UHFFFAOYSA-N 362.433 4.090 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 15974753 LYTMEMUMNNLSCZ-RUNBWSAHSA-N 361.467 4.461 0 40 FIAB C=Cc1ccc(Cn2ccn3nc(-c4ccc(CC)cc4)cc3c2=O)cc1 16840109 ORLRQLJATYHVRE-UHFFFAOYSA-N 355.441 4.417 0 40 FIAB C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](COc4ccccc4F)C3)ccc2O1 19497919 ANRKFIWIWGDAPL-CVEARBPZSA-N 369.436 4.080 0 40 FIAB C[C@H]1CCCC[C@@H]1N1CCN(Cc2cccc(Br)c2)CC1 20123902 BMOAYKAROHLNIS-YJBOKZPZSA-N 351.332 4.145 0 40 FIAB CC(C)c1ccc(-c2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)cc1 21907995 DFZHLZDXFVKKHU-UHFFFAOYSA-N 367.430 4.310 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 23688913 HKDZSRIKKSVZFH-QGZVFWFLSA-N 366.461 4.027 0 40 FIAB COc1ccc(C(=O)CSc2nc(C)cs2)cc1Br 24175383 LCKTVSGZUSOSLY-UHFFFAOYSA-N 358.282 4.198 0 40 FIAB COc1ccc([C@@H](O)C2CCN(Cc3nc4ccccc4s3)CC2)cc1 24832737 FXLGCSJKJYECKK-OAQYLSRUSA-N 368.502 4.251 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(C)c(-n3cccc3)c2)cc1F 25011036 QCPAZIVFVMDRJV-UHFFFAOYSA-N 352.409 4.206 0 40 FIAB Cc1cc(NC(=O)c2ccn(COc3ccccc3)n2)c2ccccc2n1 27971838 NCZKQOBGGIEEAM-UHFFFAOYSA-N 358.401 4.029 0 40 FIAB C[S@@](=O)c1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1 31097806 AHALEYVISKOBJX-VWLOTQADSA-N 356.491 4.057 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccc4nsnc4c3)n2)cc1 32581078 WTKYMMXNZAXCDH-UHFFFAOYSA-N 368.443 4.076 0 40 FIAB CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)c1ccccc1 32768032 ZYSFNEFXGYKQDS-UHFFFAOYSA-N 364.239 4.133 0 40 FIAB C[C@H](SCc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1F 32778904 RIDDSYIXMCXYKP-LBPRGKRZSA-N 357.410 4.136 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1ccco1 32797258 ZRDXYMGNEHIEOT-JTQLQIEISA-N 360.763 4.411 0 40 FIAB Cc1ccc(CC(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32924766 LXLKMVZETJWEFV-UHFFFAOYSA-N 350.393 4.180 0 40 FIAB O=C(Nc1cccc(-n2cccn2)c1)c1cc(-c2ccc(Cl)cc2)on1 35316996 XFCQOGYDKCNYFQ-UHFFFAOYSA-N 364.792 4.433 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)c2)cc1 35324093 RAERZDMSTFVTGN-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB C[C@H]1Cc2cc(-c3cc(CC(=O)NCCC4=CCCCC4)no3)ccc2O1 35592864 BSFCKZCLOHNUGE-HNNXBMFYSA-N 366.461 4.214 0 40 FIAB Cc1ccc(NC(=O)N2CCCN(Cc3cccs3)CC2)cc1Cl 42309415 APDQTSVPFQGHNV-UHFFFAOYSA-N 363.914 4.450 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1cccc(OC)c1 44901712 GIZPGJLIKFQREB-LJQANCHMSA-N 361.869 4.255 0 40 FIAB CCNC(=O)Nc1cccc(NC(=O)CCC(=O)c2cc(C)sc2C)c1 58283430 CFGYLQIQSFBJGG-UHFFFAOYSA-N 373.478 4.108 0 40 FIAB O=C(Nc1ccc2nc(C3CC3)sc2c1)C(=O)NC1CCCCCCC1 63814705 CDHBZEQPQZGXQC-UHFFFAOYSA-N 371.506 4.341 0 40 FIAB COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(C)cc2)C3)s1 72347686 CFQOQRHRNXQVGC-ALOPSCKCSA-N 369.486 4.394 0 40 FIAB CNc1ncccc1CN1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 72350261 ZAXLACUKGAEPJD-FQEVSTJZSA-N 372.516 4.489 0 40 FIAB CC(C)CC1(CNC(=O)c2cccc(CN3CCCC3=O)c2)CCCC1 87434294 XXHCXNKNNALMLG-UHFFFAOYSA-N 356.510 4.145 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2ccccc2n1 89921970 KMFUGPPUSVCDKO-DOMZBBRYSA-N 363.392 4.221 0 40 FIAB Fc1cccc(CN2CCC3(CCN(Cc4cccnc4)CC3)CC2)c1 96047237 PQEYUDHWBZWMBE-UHFFFAOYSA-N 353.485 4.099 0 40 FIAB COc1ccc(Cc2nc3nccc(-c4cc5ccccc5o4)n3n2)cc1 96345313 SNZFOJCVTSQVKP-UHFFFAOYSA-N 356.385 4.137 0 40 FIAB CC[C@H](C)[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 103449019 UYJAPWGSCOBTLR-RZQQEMMASA-N 373.518 4.097 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170580123 VKABIUXDADYRKD-UHFFFAOYSA-N 362.433 4.406 0 40 FIAB O=C(NC[C@H]1CCCN1c1ccccc1)c1cc2cc(F)ccc2s1 207990008 JWUNGIKKWHRCTC-QGZVFWFLSA-N 354.450 4.439 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 219330307 HDIAODPMFBHMDC-ICSRJNTNSA-N 355.478 4.353 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(C)cc1 222825656 IRWXVMGPHFQGGB-MRXNPFEDSA-N 372.896 4.092 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1C 222845175 CTCJRBDWSQYHDM-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB CCCCOCc1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OC 224438889 NPTGDVJRLQFYNN-UHFFFAOYSA-N 373.449 4.281 0 40 FIAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2C)c1 224461173 UYWIQCADJBUXHQ-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(C)C)CCCC2 224750564 QVEXPXQQIKQEFB-UHFFFAOYSA-N 359.491 4.498 0 40 FIAB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc2ccccc2c1 225049271 OKTOKVOCMMZPIE-UHFFFAOYSA-N 371.458 4.072 0 40 FIAB CC[C@H](CNC(=S)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 225631519 GQNBTLLMKWEYNL-HNNXBMFYSA-N 356.491 4.013 0 40 FIAB CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(C)c1 225666990 LNVSWPXZFOZXFG-RXNMKEHESA-N 369.461 4.302 0 40 FIAB O=C1CC2(CCN(Cc3ccccc3F)CC2)Oc2c(Cl)cccc21 225827928 COJFZAOSAAJPMQ-UHFFFAOYSA-N 359.828 4.479 0 40 FIAB CCCCc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)CC)c2)cc1 225968547 LDEZEEDBUSWKJQ-UHFFFAOYSA-N 374.506 4.067 0 40 FIAB CCCN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 409133648 MAJXQAZIKFDKRO-MLPAPPSSSA-N 365.252 4.377 0 40 FIAB CC1(C)C[C@H](NC(=O)N2CCOC[C@H]2c2ccccc2)c2ccccc2O1 675544072 PWDBDUNHAAJIMA-OALUTQOASA-N 366.461 4.072 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2c2ccccc2)s1 1561599785 SBGHSAZJJSDCIL-HXUWFJFHSA-N 369.511 4.393 0 40 FIAB CCc1ccc(C2=CCN(C(=O)N[C@](C)(COC)C(F)(F)F)CC2)cc1 1680304762 AXQAQZOVFUOSBJ-GOSISDBHSA-N 370.415 4.015 0 40 FIAB O=C(NCc1cccs1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977471 IOBOETOXIMFEBA-INIZCTEOSA-N 358.488 4.009 0 40 FIAB CCOc1cccc2sc(N3CCC(c4nnc(C5CC5)o4)CC3)nc12 1888916673 QJWJONSHWFHEJC-UHFFFAOYSA-N 370.478 4.339 0 40 FIAB Cc1ccc(-n2ccn3c(SCC4CCCCC4)nnc3c2=O)c(C)c1 2298143589 NQCBXIWALOKWGX-UHFFFAOYSA-N 368.506 4.169 0 40 FIAB CCOc1ccc(NC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)cc1 835685 HVYFGCLMGDHFHM-UHFFFAOYSA-N 372.490 4.482 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4oc3=O)n2)cc1 1079253 ROADLSONMHPTFB-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)Nc2ccccc2)CC1 1380394 KMLNASFUHFHTRY-UHFFFAOYSA-N 352.413 4.353 0 40 FIAB CCCOC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1770237 SVGVMKMACGTWKX-UHFFFAOYSA-N 372.804 4.445 0 40 FIAB biogenic Clc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1 2417374 SSMXMNCWMHISHX-UHFFFAOYSA-N 364.836 4.356 0 40 FIAB CCOC(=O)c1sc(NC(=O)C2(c3ccccc3)CCCC2)nc1C 2512643 FKTSUMCFJNURCF-UHFFFAOYSA-N 358.463 4.079 0 40 FIAB Cc1ccsc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3241661 TZFCQJKVPXBZPO-UHFFFAOYSA-N 352.463 4.294 0 40 FIAB CN(C)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3o2)cc1 3261861 BVLWWDZZTGMVNX-UHFFFAOYSA-N 361.854 4.278 0 40 FIAB Cc1ccc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 3338002 RMEUIKJIPUXZGU-SFHVURJKSA-N 363.244 4.269 0 40 FIAB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3467105 PKWBFNZNCPOPAA-LLVKDONJSA-N 372.475 4.032 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2F)s1)C1CCCCC1 4328218 YECYNSSPWKPVCR-UHFFFAOYSA-N 351.472 4.488 0 40 FIAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(F)cc2)c1 4585425 GDWKGPDBKVWCNE-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB CC(C)c1ccc(Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 5009920 VAPFJFAQGFTQBM-CYBMUJFWSA-N 353.491 4.150 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1cccc(F)c1 5136172 HGSNROXITCXJRF-UHFFFAOYSA-N 364.376 4.264 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1C 5200208 XCZCENNCSQRLOP-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2ccccc2Cl)c1=O 5269884 QEXGRMUFMQPMPI-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB CCOc1cc(CNCCO)cc(Cl)c1OCc1ccccc1Cl 6783967 QGNRNUJJJPQTDZ-UHFFFAOYSA-N 370.276 4.053 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C(=O)N(C)C)c2ccccc2)c1C 7123137 CVKCUHFDZVAUNZ-IBGZPJMESA-N 365.502 4.411 0 40 FIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccc3c(c2)OCO3)s1 7598037 SZODRNLPWDNEIQ-UHFFFAOYSA-N 370.405 4.168 0 40 FIAB Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1C 7929087 DDILQXKEMFQHLY-GOSISDBHSA-N 359.425 4.415 0 40 FIAB c1ccc(CNc2nnc(Sc3ncnc4sccc34)s2)cc1 8198259 VDJRZQWKHLUVQX-UHFFFAOYSA-N 357.489 4.306 0 40 FIAB CCCCNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(OC)c1 8268035 VHWZAHJGELMXOQ-UHFFFAOYSA-N 367.424 4.217 0 40 FIAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(O)c2ccccc12 8757020 DNDKISBDYQULRD-UHFFFAOYSA-N 367.426 4.047 0 40 FIAB CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Cl)c1 8845796 NBJRCJJHQNZQES-GOSISDBHSA-N 353.809 4.001 0 40 FIAB CC[C@H](Sc1ncnc2sc(C)c(C)c12)C(=O)Nc1cc(C)on1 9450008 AMTSLFQOOFHUCH-NSHDSACASA-N 362.480 4.114 0 40 FIAB Cc1cccc(NC2=NN=C(c3ccc4c(c3)OCCCO4)CS2)c1 9683023 HWRSMMJCONIYLR-UHFFFAOYSA-N 353.447 4.075 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1F 10260906 NTGOLOLNBAGQBO-MRXNPFEDSA-N 358.804 4.124 0 40 FIAB CCOC(=O)c1ccc(Nc2cc(C)nc(COc3ccccc3)n2)cc1 10327197 YAOFSSBCXRHHFR-UHFFFAOYSA-N 363.417 4.284 0 40 FIAB COc1cc(C(=O)N[C@H](C)c2ccccn2)ccc1OCc1ccccc1 10557543 CMFBKANHNNDPMT-MRXNPFEDSA-N 362.429 4.160 0 40 FIAB C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 11550814 SPNOENZVRLGXQH-HNNXBMFYSA-N 363.417 4.092 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Cc1cc(-c2ccc(F)cc2)on1 11693154 WKZPCBYCMLVMIC-UHFFFAOYSA-N 360.772 4.324 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1ccc(OC)cc1)c1ccccc1Cl 11916187 YBQVWFOOICKUIV-IBGZPJMESA-N 360.885 4.162 0 40 FIAB biogenic OC1(c2cccnc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1 12240712 BRUNUNINYWTYAT-UHFFFAOYSA-N 362.448 4.371 0 40 FIAB COc1ccccc1-c1nnc2ccc(Oc3cccc(Cl)c3)nn12 12390502 ALVVFKFDGKNGGQ-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 12539998 PBWQPVBWTAZASQ-GFCCVEGCSA-N 368.355 4.423 0 40 FIAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1cccc(F)c1 12819350 JJOZPCMEBXARRI-UHFFFAOYSA-N 354.381 4.452 0 40 FIAB O=C(NCCSCc1ccccc1F)c1ccc(Br)cc1 13676121 WPSBJKGYNBJEKR-UHFFFAOYSA-N 368.271 4.251 0 40 FIAB C[C@H](OC(=O)c1ccnc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 14184352 YLNFWHLTYUCANB-QMMMGPOBSA-N 373.623 4.226 0 40 FIAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14399325 FWGIUIXXHGKVSC-AWEZNQCLSA-N 355.434 4.177 0 40 FIAB CC(C)c1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c2ccccc2n1 16140456 JMVZWOFDYXBONS-UHFFFAOYSA-N 368.458 4.014 0 40 FIAB C[C@@]12CC3CC(C(=O)N4CCN(c5ccccc5)CC4)(C1)C[C@](C)(C3)C2 16778656 ZDDUIJCYMYKPTG-FKANHJMESA-N 352.522 4.332 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccncc2)cc1 17585231 DCVYVENKYYMOHQ-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB Cc1cccc2cnc(C3CCN(C(=O)c4ccnn4C(F)F)CC3)cc12 19236693 YUTHNVGVJBVCAH-UHFFFAOYSA-N 370.403 4.155 0 40 FIAB CO[C@@H]1CCC[C@@H](C(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)C1 19240133 ORCVWIMZKJXNBL-OAGGEKHMSA-N 364.536 4.118 0 40 FIAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cc(Cl)c(O)c(Cl)c1 19287479 WXFQZDQSMMTOJS-BZNIZROVSA-N 350.249 4.059 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 19933680 IVAOPUQKPGKZBW-KRWDZBQOSA-N 352.478 4.488 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)cc1Cl 20029818 CYRWBDVVKSFZLO-NSHDSACASA-N 371.911 4.110 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc3ccccc13)CC(O)=N2 20714639 MKCXXDVYRVNVAM-KRWDZBQOSA-N 355.401 4.248 0 40 FIAB CC(C)C[C@@H](NC(=O)CSc1ncc2ccccn12)c1ccccc1 22099729 KTWZDCJKIRWVSF-GOSISDBHSA-N 353.491 4.330 0 40 FIAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc3ccccc13)cn2C 22237172 BVTANKUOHZJMTP-UHFFFAOYSA-N 372.424 4.343 0 40 FIAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2s1 22255109 OKSOERBTIRCYLS-UHFFFAOYSA-N 350.440 4.189 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CNc1cccc(OC(F)(F)F)c1 24368663 NXEGDIDYJJHQDA-UHFFFAOYSA-N 374.746 4.298 0 40 FIAB CCc1cccc(NC(=O)c2ccccc2SCc2nc(C)no2)c1 25058145 YBYYWMFEJZFNPO-UHFFFAOYSA-N 353.447 4.485 0 40 FIAB COc1ccc(Cl)cc1CSc1nc(-c2ccccc2OC)n[nH]1 26806770 OOKAXFRFTLADHB-UHFFFAOYSA-N 361.854 4.435 0 40 FIAB CCOc1ccc2nc(S[C@@H](C)c3nc(-c4ccco4)no3)[nH]c2c1 29738127 ODNGIYJABGNKNM-JTQLQIEISA-N 356.407 4.458 0 40 FIAB CC(=O)Nc1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)cs1 32852769 NQZWUWSQBUVSSF-UHFFFAOYSA-N 370.405 4.051 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 32909989 HAYUHYGGVZAKFI-DYESRHJHSA-N 365.473 4.129 0 40 FIAB COc1cccc([C@@H]2CC(=O)Nc3c(-c4ccccc4)nsc32)c1OC 35316377 FNFRADOLMFJCAJ-AWEZNQCLSA-N 366.442 4.301 0 40 FIAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C 36635897 YRWRDOIPFXSFEW-MRXNPFEDSA-N 363.244 4.354 0 40 FIAB CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccnc1 40068927 VUDGGJLFFASUOV-LPHOPBHVSA-N 368.477 4.368 0 40 FIAB Cc1nc2sccn2c1CN(CCCn1ccnc1)C[C@H]1CC=CCC1 43277738 MGFONALXWQVBNE-SFHVURJKSA-N 369.538 4.149 0 40 FIAB CCCCc1nc(CSc2nnc(-c3c[nH]c4ccccc34)o2)no1 52888562 ZNFHPGYYALRKOG-UHFFFAOYSA-N 355.423 4.236 0 40 FIAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)C1(c2cccc(F)c2)CCC1 57252905 OZZSOYFGPANWBJ-GOSISDBHSA-N 369.484 4.393 0 40 FIAB CN(C)c1ncc(CN[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cn1 72337862 VCFQAMJNDXRJDL-FYQPLNBISA-N 370.928 4.258 0 40 FIAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72349161 LYSOVIJKVWEKNW-NRFANRHFSA-N 371.484 4.396 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357797 CYXUPDOUIWYHQB-OAQYLSRUSA-N 361.420 4.184 0 40 FIAB Cc1c(C(=O)C(F)(F)F)c(C(F)(F)F)nc2cc3c(cc12)OCO3 84068064 NGYVLOUDOVKILR-UHFFFAOYSA-N 351.202 4.036 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1c[nH]c2ccccc12 96222591 ITDGIGBEOIFYIZ-OAQYLSRUSA-N 373.456 4.394 0 40 FIAB biogenic Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(Cc2ccccc2)C1 96244647 VSFCFNWRFZXQNB-DEOSSOPVSA-N 371.484 4.126 0 40 FIAB CC/C=C(\C)C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 96309274 KAGFUPHJTPNZSD-KNDGBBJPSA-N 354.450 4.203 0 40 FIAB CCCCc1nc(CN2CCC([C@@H](O)c3ccccc3)CC2)c(Cl)[nH]1 97105420 LZUPNKYESMRBJX-IBGZPJMESA-N 361.917 4.351 0 40 FIAB C[C@H](C(=O)NCc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1 98073274 LYYAJWOQZKOEJO-INIZCTEOSA-N 361.416 4.477 0 40 FIAB Cn1ccs/c1=N/C(=O)CCN1c2ccccc2Sc2ccccc21 103038650 DKRMBNSGYZYGEM-FMQUCBEESA-N 367.499 4.207 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cccc(Cl)c1 222770958 AXMIOBZQHSFDTM-QGZVFWFLSA-N 359.853 4.446 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1C(C)C 222825005 GHJGEJJRNCPCSA-MOPGFXCFSA-N 356.539 4.462 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(C)cc2)cc1 224620908 PXWGTBMVDMIQGH-NRFANRHFSA-N 355.478 4.300 0 40 FIAB COc1ccc(-c2nnsc2C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 225763991 PJFPVRRRNBMWDA-LLVKDONJSA-N 373.865 4.358 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)s1 225819561 OYOHJIJMLHNYJW-ZDUSSCGKSA-N 351.497 4.063 0 40 FIAB O=C(CC[C@@H](O)c1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 409197977 SYWMBLYJADOSLR-QGZVFWFLSA-N 364.470 4.361 0 40 FIAB CC1(C)CCc2cccc(NC(=O)NCc3ncc(C(C)(C)C)o3)c2O1 529307638 XRBVCCMKBPHYHZ-UHFFFAOYSA-N 357.454 4.397 0 40 FIAB O=C(CCc1nc(C2CCCC2)no1)N1CCCC[C@H]1Cc1ccccc1 532137720 YUELOPLGXPZEIB-IBGZPJMESA-N 367.493 4.284 0 40 FIAB O=S(=O)(NCc1ccc(-c2ccsc2)o1)c1ccc(F)c(Cl)c1 575611873 ZEMYOUMBOAOWIP-UHFFFAOYSA-N 371.842 4.279 0 40 FIAB C[C@@H]1NCCO[C@H]1c1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)cc1 629698406 FETSYOMIRFNKTB-VQPPSCEASA-N 371.452 4.100 0 40 FIAB Cc1nc(N2CCC[C@H](c3nc4ccccc4o3)C2)cc(C(F)(F)F)n1 642326710 NBOLUQBDLRPVOJ-LBPRGKRZSA-N 362.355 4.329 0 40 FIAB CC(=O)N(CCC(=O)N1c2ccccc2C(C)(C)[C@@H]1C)Cc1ccccc1 1617704453 NOVYTJAYSYGJRV-KRWDZBQOSA-N 364.489 4.138 0 40 FIAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3ccccc3)c(=O)[nH]c12 790224 MFYUGTCSZBOPGL-UHFFFAOYSA-N 372.424 4.272 0 40 FIAB Cc1ccc(NC(=O)c2ccc(Br)o2)c(Br)c1 799322 QEAKZBGYFSDGPU-UHFFFAOYSA-N 359.017 4.365 0 40 FIAB CS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn12 984219 HSOVSLGHXBWSIK-UHFFFAOYSA-N 362.863 4.273 0 40 FIAB Cc1cc(=O)oc2cc(Oc3ncnc4sc5c(c34)CCC5)ccc12 1061155 AKCNKSRJTPEWCZ-UHFFFAOYSA-N 350.399 4.387 0 40 FIAB COc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2cccs2)c1 1377829 PNHRWTJZXCMWGX-AYHJJNSGSA-N 370.518 4.072 0 40 FIAB CCOC(=O)c1cccc(C(=O)CCc2cccc(Br)c2)c1 2516703 BCGGOBAQTMCDFP-UHFFFAOYSA-N 361.235 4.441 0 40 FIAB COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OC(F)F 2792698 UYALBGNSTVHYRE-UHFFFAOYSA-N 364.373 4.467 0 40 FIAB O=C(CSc1ncnc2ccccc12)Nc1ccc(C(F)(F)F)cc1 3253932 GJMBADRNXZMYCR-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB COc1ccccc1OCCC(=O)OCc1csc(-c2ccccc2)n1 3272236 MAZNCYPCYQNIGT-UHFFFAOYSA-N 369.442 4.331 0 40 FIAB Cc1ccc(C)c(C(=O)OCC(=O)c2ccc(Br)s2)c1 3293947 YONMQRQJSURLDJ-UHFFFAOYSA-N 353.237 4.167 0 40 FIAB CCc1ccc(C(=O)CSc2nnc3sc4ccccc4n23)cc1 3495567 FWQRIHCSSFMZPZ-UHFFFAOYSA-N 353.472 4.481 0 40 FIAB O=C(O)CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 3864997 NTRMEISKYMPYHK-SFHVURJKSA-N 370.836 4.273 0 40 FIAB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@@H]21 4026172 ZZLUZIDJVCYWKL-AMAYCLMOSA-N 374.521 4.345 0 40 FIAB biogenic O=C(O)[C@H]1CS[C@@H](c2cccc(OCc3cccc4ccccc34)c2)N1 4476015 BICVXOSZHYYWLZ-UXHICEINSA-N 365.454 4.207 0 40 FIAB CC[C@@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)Nc1nnc(C)s1 4999565 AJIRCXRNPRMPKQ-CYBMUJFWSA-N 373.507 4.054 0 40 FIAB O=S(=O)(c1cccc(-c2csc(-c3ccccc3)n2)c1)N1CCCC1 5047400 YFUJMJHSWKCCGA-UHFFFAOYSA-N 370.499 4.262 0 40 FIAB CC(=O)Nc1ccc(Oc2nc(-c3ccccn3)nc3ccccc23)cc1 5072381 SEZFJMCZHKZYGA-UHFFFAOYSA-N 356.385 4.443 0 40 FIAB Clc1ccc(CSc2nnc3ccc(-c4ccccn4)nn23)cc1 5168381 YEWSIRPSSOKHFE-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ccc(F)cc1Cl 5308389 ACALTXHGGIABBV-SECBINFHSA-N 367.829 4.213 0 40 FIAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(F)cc1Cl)CC2 5353948 OQABYIOPVJUART-NSHDSACASA-N 363.816 4.256 0 40 FIAB COc1ccc(-c2ccnc(SC[C@H]3COc4ccccc4O3)n2)cc1 5917827 UFHHDXQMRSVYNS-MRXNPFEDSA-N 366.442 4.084 0 40 FIAB O=C(COc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1 6053932 MAWLOWHDJJUBEV-UHFFFAOYSA-N 350.852 4.157 0 40 FIAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccs1 6219992 IFZSAOGFIXHAHO-UHFFFAOYSA-N 359.472 4.152 0 40 FIAB C[C@@H]1CCCCN1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 6543304 OZPRRBHHWLDFSA-GFCCVEGCSA-N 365.549 4.156 0 40 FIAB CCN(CC)c1ccc(CNc2ncc(-c3ccccc3)n2C)c(O)c1 6605690 PSRQOPQRKNWFPN-UHFFFAOYSA-N 350.466 4.251 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 6882108 IJFHKYRJDVQZBU-CYBMUJFWSA-N 351.277 4.303 0 40 FIAB CCN1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1 7268304 MYMGFTBVNTYNRX-UHFFFAOYSA-N 359.473 4.234 0 40 FIAB CN(CC(=O)Nc1cccc(F)c1)Cc1cc2ccccc2nc1Cl 8213794 BZWTTYDUPXDJIB-UHFFFAOYSA-N 357.816 4.098 0 40 FIAB CC(C)[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)Nc1ccccc1 8761982 MAHUORLCZKGDFS-OAHLLOKOSA-N 372.519 4.299 0 40 FIAB CC[C@H](SCc1cc(Cl)c2c(c1)OCO2)C(=O)Nc1cc(C)on1 8772167 MJIWXKHNFPHRKS-ZDUSSCGKSA-N 368.842 4.016 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)N1CCO[C@H](c2ccccc2)C1 11027392 RJJVWGKRYRUUMM-NRFANRHFSA-N 361.441 4.452 0 40 FIAB Cn1/c(=N\C(=O)c2ccc3ncsc3c2)sc2cc(Cl)ccc21 11726304 CWKKWLYCPUXRHH-KNTRCKAVSA-N 359.863 4.244 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@H](CC(CC(=O)N5CCOCC5)(C4)C2)C3)cc1 12414169 CUVQHYWNHMDFGI-MGAZVUHYSA-N 353.506 4.082 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3ccccc3Br)cnc21 12797074 YYIJGSXJYKQFFM-UHFFFAOYSA-N 359.227 4.027 0 40 FIAB COc1ccc(OCCCC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)cc1 12813663 LEHIARQTNCIAPF-QFIPXVFZSA-N 369.461 4.130 0 40 FIAB CCCc1nnc(NC(=O)c2cnn(-c3ccccc3)c2C(C)C)s1 12984377 FMMUFCACJUYDFL-UHFFFAOYSA-N 355.467 4.052 0 40 FIAB CC(C)NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12 14122972 PZUNCASMMMZRAZ-UHFFFAOYSA-N 361.467 4.114 0 40 FIAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1-c1cccs1 14704931 OVFCHZTVFSHDLA-UHFFFAOYSA-N 364.426 4.352 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N(C)C)o1 15860348 NPOJNQVTOLGFKN-CYBMUJFWSA-N 362.882 4.489 0 40 FIAB O=c1[nH]c2ccc(NCc3ccccc3OCc3ccc(F)cc3)cc2[nH]1 17074721 LPFCQBZIMKBRBE-UHFFFAOYSA-N 363.392 4.186 0 40 FIAB COc1ccc(C(=O)O)cc1NC(=O)C(c1ccccc1)c1ccccc1 20137051 ZYUAIKAUQJETLD-UHFFFAOYSA-N 361.397 4.164 0 40 FIAB O=C(NCCc1ccccn1)c1oc2ccccc2c1COc1ccccc1 21773192 IBDJFDCVJFAGKV-UHFFFAOYSA-N 372.424 4.379 0 40 FIAB C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1 22258460 FCCUEEWNNQMJLN-HUUCEWRRSA-N 359.853 4.168 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](c1ccccc1)C1CC1 24027469 SSGJTAFVDJZFQF-GMAHTHKFSA-N 360.457 4.218 0 40 FIAB CC(C)CC(=O)Nc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 24952478 BTLDINLSHUOXTA-UHFFFAOYSA-N 353.447 4.033 0 40 FIAB CN(C)C(=O)[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 26490243 DSEZJJRZKHEAIO-OAHLLOKOSA-N 372.881 4.047 0 40 FIAB CC(C)C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccc(F)cc1 28047986 DGWGHQIAABREGO-GOSISDBHSA-N 360.816 4.005 0 40 FIAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 28293157 OWAOCMKRHUSADE-QFIPXVFZSA-N 366.505 4.142 0 40 FIAB C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 29328363 JHBBRFPFADGYCM-RDTXWAMCSA-N 368.868 4.223 0 40 FIAB CCCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c2cccnc12 32623691 QFBJZYPQBTYOHE-UHFFFAOYSA-N 374.396 4.382 0 40 FIAB Cc1ccccc1-n1c(SCC(F)(F)F)nnc1-c1cccnc1 32778344 NWCQXRCFDSPRSQ-UHFFFAOYSA-N 350.369 4.292 0 40 FIAB COc1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1OC(F)F 33422040 ZRGDRUNOUQIQBU-GHXNOFRVSA-N 351.736 4.443 0 40 FIAB Cc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 35289780 OJRLTGJWOJQRQF-SEJPIABJSA-N 366.480 4.450 0 40 FIAB O=C(Nc1ccccc1Cl)c1cc(=O)c(OCc2ccccc2)co1 36365606 MMCHHQWFPNJURG-UHFFFAOYSA-N 355.777 4.125 0 40 FIAB Cn1ccnc1COc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 44013189 OPVUQVVTJYPTDL-LICLKQGHSA-N 365.820 4.145 0 40 FIAB COc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)o2)cc1 49170105 PKXFTISDJPFKGY-HNNXBMFYSA-N 371.387 4.013 0 40 FIAB biogenic,in-vitro Cc1cc2nn(CN(C)C(C3CC3)C3CC3)c(=S)n2c2ccccc12 58171502 BGXIZLOLSMYKPT-UHFFFAOYSA-N 352.507 4.405 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1F 59267385 DTJMVBUAUXQLSN-NSHDSACASA-N 352.203 4.303 0 40 FIAB Fc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2)cc1-c1cccs1 60953168 VGAYKZKGOFILNA-CYBMUJFWSA-N 358.404 4.280 0 40 FIAB CCCCNC(=O)COc1ccccc1-c1nc(-c2cccc(C)c2)no1 64579588 XKIGGWUTXVFIHA-UHFFFAOYSA-N 365.433 4.007 0 40 FIAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCCc1cccs1 71326509 AVOALLIHEAZJHK-UHFFFAOYSA-N 371.531 4.140 0 40 FIAB Fc1ccccc1Cc1cccc(C2CCN(C3CCOCC3)CC2)n1 72350093 QCBIVAOAWZVWKW-UHFFFAOYSA-N 354.469 4.170 0 40 FIAB CCc1ncc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)s1 83830595 TVDIPVKYZXWXDP-ZDUSSCGKSA-N 352.406 4.114 0 40 FIAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)C2)CC1 84699912 UQRSQANWYFCMSK-BZSNNMDCSA-N 374.491 4.326 0 40 FIAB CCOC(=O)c1cc2cc(NCC(=O)N3[C@@H](C)CCC[C@H]3C)ccc2s1 84798515 IEHQULYCUBMMCY-OKILXGFUSA-N 374.506 4.279 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1 95462298 BEBZDZXMTDZZQR-CJNGLKHVSA-N 365.449 4.125 0 40 FIAB Cc1ccc(CN2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)s1 96061437 INCYDGYYPIGMQW-LJQANCHMSA-N 354.519 4.037 0 40 FIAB CCCN1CCC(NC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 97595811 UVMOSMBJJDGVDT-UHFFFAOYSA-N 358.486 4.121 0 40 FIAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)CCC[C@H]1C 102212400 RXEMJVMFCHPPDT-WWMYMODYSA-N 365.473 4.451 0 40 FIAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1scnc1-c1ccccc1 102724803 TUCJUNMDIQGING-LLVKDONJSA-N 360.385 4.494 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3C)n2)c1 169890710 NKWIAVMVKSHVOP-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2Cl)c1 219056203 AZUSIVDKMDUXKW-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB Cc1cccc(OCC(=O)NCCSCc2ccccc2Cl)c1C 222815764 WBCALYKERXGKAZ-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225131089 BYTNKEUAOVQMRW-DHZHZOJOSA-N 368.458 4.304 0 40 FIAB CC(C)Oc1c(I)cc(C(C)(C)C)cc1C(=O)O 225284041 BSNGMBJSQAFXTC-UHFFFAOYSA-N 362.207 4.074 0 40 FIAB COc1ccc2c(c1)N(C(=O)c1ccccc1C(=O)O)C(C)(C)C=C2C 408735552 SFRHCLYDWGVPKS-UHFFFAOYSA-N 351.402 4.236 0 40 FIAB Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccc(F)cc1 409105168 GYOJJZSFUVZBSH-UHFFFAOYSA-N 370.453 4.062 0 40 FIAB Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1CCN([C@H]2CCOC2)CC1 624015223 SJHCHQGDEQWRGE-JXFKEZNVSA-N 373.928 4.042 0 40 FIAB COc1cc(N[C@@H](C)c2ccc(C(F)F)nc2)ccc1N1CCCC1=O 657952696 KBAXTFVDTHSSPW-LBPRGKRZSA-N 361.392 4.328 0 40 FIAB COCC1(C2CCC2)CN(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)C1 664805111 RDHPDXDZZDCWGU-RZDIXWSQSA-N 362.901 4.044 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)c3cc(-c4cccs4)[nH]n3)cc2)n1 1557775692 AOYQMLUYGACGGB-UHFFFAOYSA-N 363.446 4.193 0 40 FIAB CCCSCc1nnc2sc(-c3ccc(OC)c(Cl)c3)nn12 1772491282 ORNDIAIIZJUMIU-UHFFFAOYSA-N 354.888 4.158 0 40 FIAB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(C)cc1 866289 JUEVYFZFTGNJHB-UHFFFAOYSA-N 369.486 4.384 0 40 FIAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)OC3CCCCC3)n12 877070 VZKDANDXUMJESW-UHFFFAOYSA-N 369.490 4.467 0 40 FIAB CC(C)c1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 999828 KCIJRVFWZHZUIP-UHFFFAOYSA-N 360.457 4.498 0 40 FIAB CC(C)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 1284169 NDGLLBIJSCMKOF-UHFFFAOYSA-N 374.487 4.076 0 40 FIAB COc1cc(CC(=O)Oc2ccc3ccccc3c2)cc(OC)c1OC 3283310 KFXSWWCVGGIHBL-UHFFFAOYSA-N 352.386 4.014 0 40 FIAB Cc1ccc2nc(N(CCN(C)C)C(=O)CCc3ccccc3)sc2c1 4359113 OMSNFXHTFFUSTR-UHFFFAOYSA-N 367.518 4.132 0 40 FIAB CCOc1ccc(CNc2ncc(-c3ccc(F)cc3)n2CCOC)cc1 4679432 NRWLAKGAGBVQFD-UHFFFAOYSA-N 369.440 4.346 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)c1cccc(F)c1 4888093 SXKFSURZHWVYKU-AYHJJNSGSA-N 358.482 4.203 0 40 FIAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3cccs3)nc2c1 5121636 GXBHUPYVBIZCKY-UHFFFAOYSA-N 359.520 4.183 0 40 FIAB COc1ccc(Cl)c2sc(NC(=O)c3c(F)cccc3F)nc12 5256608 IVAVQAWQRFCEPA-UHFFFAOYSA-N 354.765 4.489 0 40 FIAB CCSc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 5450413 UVXPVEDJGSIYNE-MNOVXSKESA-N 365.549 4.109 0 40 FIAB CCc1cccc2c(C(=O)CSc3nnc4n3CCCCC4)c[nH]c12 6097614 LJJVCMDQKHJQCY-UHFFFAOYSA-N 354.479 4.023 0 40 FIAB CC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1-c1ccccc1 6235242 CQNJOZYYCGKUGV-UHFFFAOYSA-N 370.405 4.169 0 40 FIAB Fc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(Cl)cc1)=N2 6444804 QILMGAQTVBXALC-UHFFFAOYSA-N 350.784 4.308 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1OCC 6811481 RUXWCQOHAKGURF-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB CCC[C@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 7490994 OPFHLKHPOBKIRI-FQEVSTJZSA-N 350.462 4.014 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1C 7702033 KOYPUYLMSJSAML-IBGZPJMESA-N 357.500 4.433 0 40 FIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)Oc1ccc(-c2nnco2)cc1 7779877 MRMDIYSSNQEZTQ-XCVCLJGOSA-N 360.291 4.374 0 40 FIAB Cc1cc(-c2csc(NCc3ccc(F)cc3)n2)c(C)n1-c1ncn[nH]1 8298767 WQCPZQBMVKZPJQ-UHFFFAOYSA-N 368.441 4.087 0 40 FIAB COc1cccc(-c2noc(COc3cccc4c3OC(C)(C)C4)n2)c1 8324245 QVPDCLBUBBLKTR-UHFFFAOYSA-N 352.390 4.038 0 40 FIAB Cc1cccc(OCC(=O)NCc2ccccc2COc2ccccc2)c1 8748003 VRZOIOGRBWQCID-UHFFFAOYSA-N 361.441 4.269 0 40 FIAB CSc1ccc(-c2csc(NC(=O)CCc3cccnc3)n2)cc1 8780495 NAUDXNNURGHRFQ-UHFFFAOYSA-N 355.488 4.498 0 40 FIAB Cc1csc(SCc2nc3scc(-c4ccco4)c3c(=O)[nH]2)n1 9754648 YZKSZODQKBCSCM-UHFFFAOYSA-N 361.473 4.302 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)OCCCO2 9948954 HQBVYOWLAPHGQM-UHFFFAOYSA-N 365.838 4.164 0 40 FIAB COc1cccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1 10714683 UDADPAMSDADMQG-UHFFFAOYSA-N 358.394 4.220 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 10972108 YRJFCQNHOVRSLV-UHFFFAOYSA-N 372.852 4.364 0 40 FIAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cn2cc(Cl)ccc2n1 12323678 JRCBQCVEDFEQBV-UHFFFAOYSA-N 373.243 4.095 0 40 FIAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cccc(-c3nncn3C)c2)cc1 12401528 HVKLZJLQGATQBA-MRXNPFEDSA-N 362.477 4.423 0 40 FIAB CCC(=O)Nc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)cc1 12539960 GUQKKNVKDRZINV-UHFFFAOYSA-N 368.380 4.424 0 40 FIAB CC(C)n1cnn(CN(C)Cc2ccccc2N2CCCCC2)c1=S 12554223 WLLDFSKGRXUXGV-UHFFFAOYSA-N 359.543 4.075 0 40 FIAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(Cl)c(C(F)(F)F)c1 12602405 DOBXGTQWXXCFLB-GQCTYLIASA-N 373.714 4.147 0 40 FIAB COc1ccc(NC(=O)CSc2nc(Cc3ccccc3)c(C)[nH]2)cc1 13945136 CUECLWLETZYJOU-UHFFFAOYSA-N 367.474 4.048 0 40 FIAB CC(C)c1nnc(Sc2ncnc3sccc23)n1Cc1ccco1 14093728 IVLJFEYTPJKKQE-UHFFFAOYSA-N 357.464 4.199 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/c1ccc(C(=O)O)cn1 14184481 AYGDWSNJWRASBV-RMKNXTFCSA-N 357.772 4.237 0 40 FIAB Cc1ccc(CN(CCCN2CCOCC2)Cc2sccc2C)cc1 19210126 HDLLHSPAZMDUQP-UHFFFAOYSA-N 358.551 4.089 0 40 FIAB CC(C)(C)c1nc2cc(NC(=O)c3ccccc3Cn3cccn3)ccc2[nH]1 19665179 GPMNGPDOYDXSRJ-UHFFFAOYSA-N 373.460 4.358 0 40 FIAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 21555410 KXSYEAYFBFCFGT-ZTLYHTANSA-N 368.521 4.007 0 40 FIAB CCOc1ccc(Br)cc1CNCCc1ccc(OC)cc1 22074624 MROSCSRSSGFXEQ-UHFFFAOYSA-N 364.283 4.189 0 40 FIAB Cc1cnc(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)cn1 24716091 NTQBIUCRVMGXTQ-UHFFFAOYSA-N 358.854 4.046 0 40 FIAB C[C@]1(c2ccco2)NC(=O)N(Cc2sc3ccccc3c2Cl)C1=O 25857147 HZOUZEWIJFGNIC-QGZVFWFLSA-N 360.822 4.115 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)N1CCN(c2cccc(Cl)c2)CC1 26182210 QYVHOVNUPXBBBC-MRXNPFEDSA-N 351.922 4.386 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccccc2F)c2ccccn2)cc1 28286745 XYWVNWKKQGABFJ-UHFFFAOYSA-N 350.393 4.141 0 40 FIAB COc1cc(OC)c(N[C@H](C)C(=O)NCCC2=CCCCC2)cc1Cl 28797745 GKROKXCKKRUHGP-CYBMUJFWSA-N 366.889 4.164 0 40 FIAB CCOCc1ccccc1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1 30519194 VBVIVWOEBFCKGW-UHFFFAOYSA-N 374.289 4.008 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(CN(CC)CC)cc1 30848284 MSLFCHSRPHGFSP-FQEVSTJZSA-N 358.457 4.464 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cc(-n3cccc3)ccc2Cl)c1 32106307 GFOOPUGJVUJHRS-UHFFFAOYSA-N 353.809 4.341 0 40 FIAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCc2ccccc21 32738461 NUACCICQWAAUME-CYBMUJFWSA-N 364.367 4.365 0 40 FIAB O=C(Nc1cccnc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 32906307 NRZXCADSNYBHAF-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CC(C)c1noc(CCCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 32915735 NEVSIBLLKWEIBF-UHFFFAOYSA-N 357.332 4.053 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(-n4cnnc4)c3)ccc2c1 33200873 BGEFOAMGFDAMGE-HNNXBMFYSA-N 372.428 4.171 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(C(=O)c2ccoc2)C1 36729370 FOXMSZLIYRRWMJ-NSHDSACASA-N 367.232 4.077 0 40 FIAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl 38850211 VCGJEOIBQGFXBL-MRXNPFEDSA-N 358.869 4.199 0 40 FIAB Cc1cccc(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 39766591 SFVFPSKLEJRQDA-UHFFFAOYSA-N 374.887 4.316 0 40 FIAB CC(C)(C)SCC(=O)Nc1c2c(nn1Cc1ccccc1)CSC2 41124412 VVWKAQUBYORMJC-UHFFFAOYSA-N 361.536 4.148 0 40 FIAB O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N(Cc1cccnc1)C1CC1 44606278 YWUFEZMEMAGMHJ-JXMROGBWSA-N 363.848 4.488 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(c2cccc(C)c2C)CC1 44843857 OIGGQSUOUICIOI-JOCHJYFZSA-N 366.505 4.118 0 40 FIAB Cc1cccc(CN(C(=O)Nc2ccc(N3CCCC3)nc2)C2CC2)c1 47524853 PASSEEDQDGSHNP-UHFFFAOYSA-N 350.466 4.187 0 40 FIAB Cc1nc(CN(C)C(=O)NCc2ccc(-c3ccccc3F)o2)cs1 58283518 UARSIHBQXUUDIS-UHFFFAOYSA-N 359.426 4.192 0 40 FIAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)n1c(-c2cccs2)n[nH]c1=S 58425044 HDIWEFIMJLMFLC-QMMMGPOBSA-N 366.418 4.147 0 40 FIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1Nc1ccccc1 69176994 ASRUFMWVNQRIOR-UHFFFAOYSA-N 374.440 4.474 0 40 FIAB Cc1csc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 70635383 RLYKJLJSUOWWKB-CQSZACIVSA-N 355.381 4.289 0 40 FIAB O=c1c(-c2nc(-c3ccsc3)no2)cccn1Cc1cccc(Cl)c1 77200495 IDTJJVSTBBXIBD-UHFFFAOYSA-N 369.833 4.329 0 40 FIAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(N2CCCCCC2)nc1 78370503 PJLHWVRYSYGAHU-AWEZNQCLSA-N 369.431 4.265 0 40 FIAB O=S(=O)(c1ccc(F)cc1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 78572219 ASJBFTNYAKONHH-IBGZPJMESA-N 358.438 4.223 0 40 FIAB CCOc1cc(CN[C@@H]2CCCC[C@H]2O)ccc1OCc1ccccc1 78761219 SXFBUBQJVWAWSR-WOJBJXKFSA-N 355.478 4.057 0 40 FIAB COc1ccc([C@@H]2CCCN2c2cnn(C(C)(C)C)c(=O)c2Cl)cc1 84325468 QXEZOTLHVPAFEW-HNNXBMFYSA-N 361.873 4.002 0 40 FIAB Brc1ccc2c(N3CCc4c(ncn4C4CC4)C3)ccnc2c1 95397829 MMHMCOHHIGPFOH-UHFFFAOYSA-N 369.266 4.091 0 40 FIAB CCC[C@@H](CC1CCCC1)C(=O)N1CCC(C(=O)Nc2ccccn2)CC1 95959089 UPHUZJHMDCFNGY-IBGZPJMESA-N 371.525 4.255 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1Cl 98072440 YXEYAIOGHKFPJA-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CCn1cc(CN2[C@@H]3CC[C@@H]2c2cnc(C)nc2C3)c2cc(OC)ccc21 100189445 PPWNRQKEAYXUQG-OPAMFIHVSA-N 362.477 4.030 0 40 FIAB O=C(O)c1cn(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc12 216748923 VRDWQNQDVMSVFP-UHFFFAOYSA-N 364.184 4.366 0 40 FIAB COc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1F 225388927 XXIVPKJHVIEXEM-UHFFFAOYSA-N 371.836 4.290 0 40 FIAB Cc1ccc(NC(=S)NC2(C3CC3)CCCC2)cc1N1CCCC1=O 225870227 BTSJEHCSROHPAZ-UHFFFAOYSA-N 357.523 4.131 0 40 FIAB CCOC(=O)c1ccc(OCc2ccc(Br)cc2)c(OC)c1 226306764 APTAVYDABQONTQ-UHFFFAOYSA-N 365.223 4.213 0 40 FIAB COC(=O)/C=C/c1ccc(OC)c(OC(=O)c2cccc3ccccc23)c1 226364968 PUXYYZMODXXTPQ-ACCUITESSA-N 362.381 4.254 0 40 FIAB Cn1cc(-c2cncc(CNC(=O)c3ccc(-c4ccsc4)cc3)c2)cn1 390831361 RKXWIYSLNUUZJO-UHFFFAOYSA-N 374.469 4.141 0 40 FIAB Cc1oc(-c2ccccc2)cc1C(=O)N(CCC(=O)O)Cc1ccccc1 408978935 AZPPLQZZWBVXEE-UHFFFAOYSA-N 363.413 4.372 0 40 FIAB Cc1ccc(OCc2nn(CC(=O)Nc3cccc(C)c3)c(=S)o2)cc1 409150403 BSKQYOUGWPNGJB-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CC(C)c1noc([C@H](NC/C=C/c2ccc(F)cc2)C2CCOCC2)n1 583622987 GDTJHMNQRFKILF-OAJJDEHYSA-N 359.445 4.103 0 40 FIAB Cc1cc(-c2nnc(N3CC[C@H](C(C)(C)C)C3)n2C[C@@H]2CCCO2)c(C)o1 670300044 FQEFCZZEYDUMPX-IRXDYDNUSA-N 372.513 4.206 0 40 FIAB CC1(C)[C@]2(C(=O)N3CCC[C@H](c4ccc(F)cc4)CC3)CC[C@@]1(C)C(=O)O2 1331523084 CLZGUQIOECVBSN-UZQPLGKSSA-N 373.468 4.044 0 40 FIAB COc1cccc(C(=O)NCc2cc(-c3ccsc3)cs2)c1OC 1888970046 HSHDLXKSVOBXAX-UHFFFAOYSA-N 359.472 4.424 0 40 FIAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O 981327 ILTCKDDZIOHYTK-ITTMYVLYSA-N 355.843 4.192 0 40 FIAB CCN1C(=O)/C(=C/C=C/c2ccc(Br)cc2)SC1=S 1175570 SLPFZUHZKFYKIZ-UBXZVMTISA-N 354.294 4.226 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1cccc(OC)c1)C3 2117468 BIZMDAJKHCIASC-UHFFFAOYSA-N 351.402 4.111 0 40 FIAB biogenic CCOc1ccccc1NC(=O)CCc1nc(-c2ccccc2Cl)no1 2390618 KZSIJYWRDLVURA-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2405451 QPDZBFDGWQZWFU-CQSZACIVSA-N 374.444 4.420 0 40 FIAB O=C(CC1CCCCC1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 3347305 NLOUXTZKHLVJQR-UHFFFAOYSA-N 358.463 4.490 0 40 FIAB Cc1cc(Cl)cc2sc(NC(=O)[C@@H]3COc4ccccc4O3)nc12 4325397 GQEUHYNLIMMSNR-ZDUSSCGKSA-N 360.822 4.037 0 40 FIAB C/C(=C\c1ccccc1)CN1CCC(C(=O)N(C)Cc2ccccc2)CC1 4691078 MSVNXSGDGJHZMB-LVZFUZTISA-N 362.517 4.461 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 4846773 HZTOBULOACVYDA-QRWLVFNGSA-N 369.436 4.130 0 40 FIAB CC(C)Cc1nc2sc3c(SCCO)ncnc3c2c2c1CCC2 5321361 RBSFFZDYIYGVAZ-UHFFFAOYSA-N 359.520 4.011 0 40 FIAB COc1ccc(-c2nnc(S)n2-c2ccc(F)c(Cl)c2)cc1OC 5796238 TXDGUSUCEUSHBS-UHFFFAOYSA-N 365.817 4.033 0 40 FIAB CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C 6079198 CMOBQDCPQQHARZ-HIGJEIRPSA-N 372.509 4.143 0 40 FIAB Cc1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 6785974 JZOIVYMAXRLJME-UHFFFAOYSA-N 358.430 4.218 0 40 FIAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1F 7312495 OVDJZXHMCYQNIG-UHFFFAOYSA-N 370.449 4.464 0 40 FIAB COc1cc(OC)c(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 7653884 PHKPLLGMDPKCNN-STQMWFEESA-N 362.857 4.035 0 40 FIAB Cc1ccccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 7890016 SHJUXBWSLQZGSD-HXUWFJFHSA-N 355.434 4.480 0 40 FIAB Cc1ccsc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8024469 ZRBQYULFJGUKDV-UHFFFAOYSA-N 354.397 4.038 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCc2nc(-c3ccccc3)no2)cc1 8090738 UXVVGTYZNUUEJJ-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB Cc1ccccc1NC(=O)COc1ccc2c(C(C)C)cc(=O)oc2c1 8752288 BUTMVXKZEGBIHX-UHFFFAOYSA-N 351.402 4.242 0 40 FIAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3cc(Cl)ccc3F)ccc(F)c21 8755593 UIBMVJOMDNHQDU-SECBINFHSA-N 365.763 4.326 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)c1nccnc1-c1nc2ccccc2s1 9500591 RQGHEMIWKHWGNN-UHFFFAOYSA-N 372.453 4.494 0 40 FIAB COc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC 9582653 WMEIERSBZNLHKM-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB CC[C@H]1CCc2sc(-c3nnc(SC[C@H]4CCCO4)n3C)cc2C1 11552762 UCWBNZJOKQRGKH-GXTWGEPZSA-N 363.552 4.330 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2occc2COc2ccccc2)c1 12817931 VXRDUAQYGYAFKU-UHFFFAOYSA-N 365.385 4.206 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)oc2ccc(F)cc12 12849423 YNUFYWCKIMEJDS-LJQANCHMSA-N 366.436 4.447 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)NCCc1cccc2cccnc12 12898129 AGIGZGUHAQLUJE-UHFFFAOYSA-N 374.469 4.034 0 40 FIAB COc1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1O 13125551 NKSKJXGWVNOSNN-UHFFFAOYSA-N 358.401 4.018 0 40 FIAB CCOc1ccc2nc(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)[nH]c2c1 13290542 ZADDICJOSYNTJH-HZSPNIEDSA-N 361.511 4.232 0 40 FIAB CC(C)c1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 13688354 HVYJSWDPIZGVME-CYBMUJFWSA-N 369.396 4.405 0 40 FIAB CN(Cn1c(=O)oc2ccccc21)[C@@H](c1ccccc1)c1ccc(F)cc1 14197196 CNJAGMWGDYUCMU-NRFANRHFSA-N 362.404 4.413 0 40 FIAB COc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 14577324 HJZARZYTZRUSOG-QHCPKHFHSA-N 361.441 4.288 0 40 FIAB CC(CNS(=O)(=O)c1cccs1)(c1ccccc1)c1ccccc1 15365236 DWCFUWIIOLWGPJ-UHFFFAOYSA-N 357.500 4.033 0 40 FIAB COc1ccc(CCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 16237504 HIOXNHVEUYHHQN-UHFFFAOYSA-N 354.397 4.243 0 40 FIAB CNc1nnc(SCc2csc(-c3ccccc3OC)n2)s1 17979789 WCZIUVZSPTUJPY-UHFFFAOYSA-N 350.494 4.004 0 40 FIAB Cc1cc(OCC(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl 18702623 PQJHDGVVCLYCAO-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB CCCn1nc(C)c(-c2cncn2CCOc2cccc(C)c2C)c1C 19654632 BNSSBSUVSSYZQW-UHFFFAOYSA-N 352.482 4.469 0 40 FIAB CN(C(=O)c1cccc(OCc2cn3ccccc3n2)c1)C1CCCCC1 26956795 OQZFEYLAJOMMMI-UHFFFAOYSA-N 363.461 4.318 0 40 FIAB O=C(NCc1ccco1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 28230560 HQQQZBARJRPCGH-UHFFFAOYSA-N 373.412 4.110 0 40 FIAB CCOc1ccccc1C(=O)NC[C@H](c1ccc(CC)cc1)N1CCCC1 28403347 VOEARVVHDZFBKD-OAQYLSRUSA-N 366.505 4.215 0 40 FIAB C[C@H](NC(=O)CCc1ccccc1)c1ccc(OCc2cccnc2)cc1 32676843 QRDILKHPWHLIOT-SFHVURJKSA-N 360.457 4.471 0 40 FIAB COC(=O)c1occc1[C@@H]1Nc2ccccc2C(=O)N1c1cccc(C)c1 32854061 ZLWKDTXEIRJDDS-LJQANCHMSA-N 362.385 4.146 0 40 FIAB O=C(c1ccc(F)cc1)N1CCc2nc(-c3cccc(F)c3)sc2C1 36753130 PVONPVLDVRJWQM-UHFFFAOYSA-N 356.397 4.287 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1cc(Cl)ccc1Cl 40095842 DOCFPNPZTWKJQD-AWEZNQCLSA-N 361.175 4.127 0 40 FIAB CC[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(C)cc1 40119410 YQHLEGCBFDKBKF-FQEVSTJZSA-N 363.461 4.189 0 40 FIAB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c1 46705422 ZEHLMFVTWUVOSJ-UKTHLTGXSA-N 357.207 4.003 0 40 FIAB CC(=O)Nc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)ccc1C 47064344 INFKQOMMMWGPJS-UHFFFAOYSA-N 362.433 4.008 0 40 FIAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cc(C(C)C)[nH]n3)cn2)c1 48309866 SIAXEWLRTJHATH-UHFFFAOYSA-N 364.449 4.267 0 40 FIAB Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3ccccc3F)CC2)cc1F 51880264 DSEOVZHUVWYSMD-INIZCTEOSA-N 372.459 4.363 0 40 FIAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H](C)[C@H]3CCCO3)oc2c1 55215931 ODCSXSCICCGSFF-KBXCAEBGSA-N 365.429 4.406 0 40 FIAB O=C(Nc1cccc(CN2CCCC2=O)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 58224818 HYXKPJPRXAATPN-OALUTQOASA-N 368.864 4.205 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1 61582808 QDFYBRYDQDSVMY-AWEZNQCLSA-N 368.424 4.090 0 40 FIAB COc1ccccc1C[C@H]1CCCN1Cc1ccn(-c2cccc(F)c2)n1 71846824 MAKBSLYIZDLBBZ-HXUWFJFHSA-N 365.452 4.227 0 40 FIAB COC(=O)Nc1ccc(CNc2ncnc3sc4c(c23)CCCC4)cc1 71955171 KRKQCWRAUCAXIS-UHFFFAOYSA-N 368.462 4.361 0 40 FIAB Cc1nnc(Nc2cncc([C@H]3CCCN3Cc3ccccc3C)n2)s1 72376311 XESWQWRKEXUGFG-QGZVFWFLSA-N 366.494 4.026 0 40 FIAB CC[C@@H](C)n1ncc(C(=O)NCCc2csc(C(C)C)n2)c1C1CC1 89811770 CTLWWJYWZOCNAI-CYBMUJFWSA-N 360.527 4.284 0 40 FIAB O=C(O)[C@H](c1cc2ccccc2o1)N1CCN(c2ccc(Cl)cc2)CC1 90487659 AIRBEPRGMHKPLZ-IBGZPJMESA-N 370.836 4.034 0 40 FIAB COC[C@@H](Cc1ccccc1)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 95983709 WZWRUHLLHMZFMJ-FXAWDEMLSA-N 367.468 4.228 0 40 FIAB CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 96052697 BLALQFAOCQNNKP-QGZVFWFLSA-N 368.546 4.248 0 40 FIAB CO[C@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccc(C)s1 96104726 JMHHFEVIBDSTAJ-OAHLLOKOSA-N 358.488 4.298 0 40 FIAB CCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2C)cc1 103940492 WKAOWMZUJYSYOS-GCJKJVERSA-N 366.505 4.408 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1cccc(C)c1 216298274 VERBNPNNLBBNQX-HXUWFJFHSA-N 373.518 4.211 0 40 FIAB O=C(NCc1ccc(Cl)cc1)N1CCS[C@H](c2ccco2)CC1 219433004 FZWHKDAYAPOWFL-INIZCTEOSA-N 350.871 4.323 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(C(C)C)cc1 219508007 PJKUTYMGQYJUPD-KRWDZBQOSA-N 355.478 4.335 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223300573 VQBLUXONKDCJBR-MRXNPFEDSA-N 353.462 4.048 0 40 FIAB CCOc1ccc(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C 223668273 RPVQQPYCNYRUEL-UHFFFAOYSA-N 371.824 4.027 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 224471756 VSKBEVVAMSYBJZ-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(F)(F)F)cc2)cc1 224990162 ARSVOJKHXCMPRD-UHFFFAOYSA-N 361.410 4.252 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCC(C)C)s1 225041834 VZVQZLTZEJVKQZ-UHFFFAOYSA-N 357.888 4.201 0 40 FIAB COc1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225685796 JARJBVUINFWUOV-QGZVFWFLSA-N 372.490 4.293 0 40 FIAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 247826992 JHFLJPDQKPCWLR-XNFNUYLZSA-N 355.453 4.045 0 40 FIAB CC(C)c1cc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4Cl)CC[C@H]3C2)on1 257265981 MBCMNKMDTXUAEC-VBQJREDUSA-N 374.868 4.381 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](c4ccccc4)[C@@H]4CCC[C@@H]43)n[nH]2)o1 561133196 DDQRQEXFRFNOCV-QKLQHJQFSA-N 361.445 4.386 0 40 FIAB Cn1c(O)nc2ccc(NC(=O)[C@@H]3CC[C@H]3c3ccc(Cl)cc3F)cc21 563863698 HNHZSBUOHMPFAH-GXTWGEPZSA-N 373.815 4.204 0 40 FIAB O=C(Nc1ccccc1Cl)N1CCC[C@H](Oc2ccncc2Cl)C1 575611176 BIEQKIFSOAHTJH-LBPRGKRZSA-N 366.248 4.464 0 40 FIAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)N1CC[C@@H]2C[C@H]2C1 663418217 BTPGNVDGKBIUTG-WSTZPKSXSA-N 359.473 4.351 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)Nc2noc(-c3ccccc3F)c2C)on1 683969354 NRFOORYRUNAYTD-OAHLLOKOSA-N 370.384 4.455 0 40 FIAB Cc1cc(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)ccc1O 1557898802 XGPMEBUPORBYIC-UHFFFAOYSA-N 355.825 4.031 0 40 FIAB Brc1ccc2ncnc(NCCOCc3ccccc3)c2c1 1642355477 BJLIHOXVWMMTTB-UHFFFAOYSA-N 358.239 4.021 0 40 FIAB C=CC(=O)NCc1ccc(C(=O)NCc2ccc(-c3ccccc3)cc2)cc1 1775996370 ORWPPCGTLIOHRL-UHFFFAOYSA-N 370.452 4.086 0 40 FIAB C[C@@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@H](C)CO2)=N1 1857775552 QLKVFJMNSOTHCC-QZTJIDSGSA-N 362.473 4.093 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)CCCC(=O)O)cc3)sc2c1 830906 SUWRHQOGIWHSDJ-UHFFFAOYSA-N 354.431 4.465 0 40 FIAB COc1ccc(OC)c(-c2csc(N(C)C(=O)c3ccccc3F)n2)c1 880996 NPANPNFMRYDAHQ-UHFFFAOYSA-N 372.421 4.243 0 40 FIAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc(F)c1 2468266 JFVJWRNOMIUVSX-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1C 2720422 WFZZSAVOFOSVDZ-UHFFFAOYSA-N 365.458 4.035 0 40 FIAB O=C(O)c1ccc([C@@H]2O[C@H]2C(=O)c2ccccc2OCc2ccccc2)cc1 3120622 GWCOJZCMEYWBAX-VXKWHMMOSA-N 374.392 4.287 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Cl)cc1 3210708 JWZDTYFTMCQWQY-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB C[C@@]1(C(=O)OCC(=O)c2cc(Cl)ccc2Cl)CC1(Cl)Cl 3259556 FWXBIKTZLXMFNR-LBPRGKRZSA-N 356.032 4.303 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3322823 OYUKJWFXIDYMOS-LLVKDONJSA-N 364.228 4.128 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 4089164 XGQVSDJMRYHEGJ-UHFFFAOYSA-N 353.491 4.112 0 40 FIAB COc1cc2c(c(OC)c1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 4488826 RUTCMYVCHCOWGI-LLVKDONJSA-N 352.217 4.485 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2C1 4848666 OALYOIQWMLNQSM-UHFFFAOYSA-N 358.507 4.453 0 40 FIAB C[C@@H](Sc1nnc2c(n1)[C@@H]1CC[C@@]2(C)C1(C)C)C(=O)Nc1ccccc1 5091961 VJZFVMRQLJQOKM-TUXXCZFBSA-N 368.506 4.166 0 40 FIAB C[C@H]1CCCCN1c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 5215465 FDQXRMCKVLGTPF-LBPRGKRZSA-N 368.506 4.470 0 40 FIAB O=S(=O)(Oc1cccc2cccnc12)c1ccc2c3c(cccc13)CC2 5770170 TYYIOYRDXFVUIG-UHFFFAOYSA-N 361.422 4.254 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)o1 7194067 WWJIGHYZSJWAOL-LBPRGKRZSA-N 354.431 4.490 0 40 FIAB S=c1[nH]nc(-c2ccncc2)n1NCc1c(Cl)cccc1Cl 7601808 IBFGXJCMMWGLGW-UHFFFAOYSA-N 352.250 4.053 0 40 FIAB O=C(COc1ccc(F)cc1)N1CCC(c2nc3ccccc3s2)CC1 7890066 WAWMBQLIKQHTDF-UHFFFAOYSA-N 370.449 4.220 0 40 FIAB O=C(NC[C@H]1CCCO1)c1sc(-c2ccccc2)nc1-c1ccccc1 7943892 RJOOCYVNLAEUAD-QGZVFWFLSA-N 364.470 4.386 0 40 FIAB COC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1 8191676 QZIXYCWQFHQPTM-NSHDSACASA-N 365.886 4.367 0 40 FIAB COc1cc(OC)cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 8391007 ZILGABGGTZGKRF-GFCCVEGCSA-N 356.447 4.147 0 40 FIAB Cc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cccc(C)c3n2)cc1 8472001 SETREQMOYCORBN-GOSISDBHSA-N 360.457 4.427 0 40 FIAB COc1ccc(-c2cc(=O)c3ccc(NC(=O)C(C)(C)C)cc3o2)cc1 9660286 HKAJVHFBRYYKTC-UHFFFAOYSA-N 351.402 4.453 0 40 FIAB biogenic COc1ccc(C)cc1Nc1nnc(-n2nc(C)cc2C)c2ccccc12 9879770 XBLSEMOVKBMCBE-UHFFFAOYSA-N 359.433 4.493 0 40 FIAB CC1CCN(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 10540256 LKZZXLIKSZEXQU-OAHLLOKOSA-N 354.947 4.059 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)s1 11637295 MPBRHZSYRWOEFX-ZDUSSCGKSA-N 351.497 4.063 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)c1ccccn1 11916531 VVGORTHMZOUJJU-UHFFFAOYSA-N 362.410 4.097 0 40 FIAB C[C@@H]1CCCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 12228287 ZXTPURZDVBCULL-OAHLLOKOSA-N 356.470 4.075 0 40 FIAB COc1ccc(Cl)cc1-c1nnc2sc(Cc3ccccc3)nn12 12408486 IKCLOQIOPUTRPS-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c(C)c1C 12563039 MQYRALSNXUDBCG-LJQANCHMSA-N 358.507 4.150 0 40 FIAB c1cc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccoc2)ccn1 12667939 AABNFVFNAUFVCV-UHFFFAOYSA-N 372.384 4.139 0 40 FIAB O=C(CCCNC(=O)c1cccs1)Nc1cc(Cl)ccc1Cl 12770825 AJFGNTQBKZPCAJ-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB Cn1ncc2c(N[C@@H](c3ccccc3)c3cc4ccccc4o3)ncnc21 12889275 WMUWKPVTSLZSDA-IBGZPJMESA-N 355.401 4.311 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 12898988 LLYWFYJBUDMFRO-HNNXBMFYSA-N 353.896 4.164 0 40 FIAB CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccsc2c1=O 13010129 JVTZEKKROKBXFA-SECBINFHSA-N 364.496 4.012 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3Cl)no2)cc1 13494854 DOOYBEDVYVKRQS-LBPRGKRZSA-N 371.824 4.280 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(C)cc2)cc1O 13570942 IZNFRABSZSHYSO-MRXNPFEDSA-N 363.417 4.327 0 40 FIAB C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 13613446 OYRDEBKBQYWLIZ-KRWDZBQOSA-N 366.505 4.312 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)c(OC)c1 14066600 WICFVIMFYLGACA-OAHLLOKOSA-N 371.462 4.152 0 40 FIAB Cc1ccc(C(=O)Nc2cccc([C@H]3NC(=O)c4ccccc4N3)c2)cc1 14095082 SGTDAXZCDCGYGM-HXUWFJFHSA-N 357.413 4.101 0 40 FIAB Cc1cc(NS(=O)(=O)Cc2ccc(Cl)cc2)ccc1Br 14291468 UMACFRWQJZWORR-UHFFFAOYSA-N 374.687 4.353 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC 15526234 AQAXWVPYUXTMGY-NTUHNPAUSA-N 366.461 4.346 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 15578906 NDCSJCJOAXIDIN-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB FC(F)(F)c1cc(N2CCCNCC2)c2cc(Cl)cc(Cl)c2n1 16158442 KDQNDTPSWCXBQQ-UHFFFAOYSA-N 364.198 4.360 0 40 FIAB Nc1c(Cl)cc(Cl)cc1C(=O)OCc1nc(-c2ccsc2)no1 16218291 AGILUGOHEMTXHX-UHFFFAOYSA-N 370.217 4.044 0 40 FIAB Clc1cccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c1 19293402 CPXROCZMDIKJOA-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB CCc1nccn1CCC(=O)Nc1ncc(Cc2ccccc2Cl)s1 19523663 FDKOGXIFUMLCHU-UHFFFAOYSA-N 374.897 4.175 0 40 FIAB Cc1[nH]c2c(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cccc2c1C 24556039 CISIHSWHAQLLCK-OAQYLSRUSA-N 361.489 4.352 0 40 FIAB C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1nc2ccccc2s1 25448404 WLSJWMMQWMEYSP-OAHLLOKOSA-N 357.523 4.123 0 40 FIAB COc1ccc(OC)c(CN(C(=O)c2cc(Cl)ccc2F)C2CC2)c1 25807725 LORCJJZUWPCDBZ-UHFFFAOYSA-N 363.816 4.301 0 40 FIAB COc1ccc(C(=O)CSc2nc(C)c(C)n2CC(C)C)cc1OC 26051338 SBRRWZIPRAZRBO-UHFFFAOYSA-N 362.495 4.148 0 40 FIAB Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cnn1-c1ccccc1F 26154277 KGIDZFXKROFEEG-UHFFFAOYSA-N 353.441 4.018 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)cn1 26860967 ANQKNWAMMMQNKQ-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27604108 PBLZWGFECBPMSZ-GOSISDBHSA-N 358.507 4.102 0 40 FIAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(F)cc1Cl 30004368 XSYFHIDHDDSOJN-GFCCVEGCSA-N 355.862 4.076 0 40 FIAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)c1C 36635420 MJRBIALQZDRZNJ-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1 37210485 PUDQCFKKULHXKN-LJQANCHMSA-N 354.500 4.396 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCC(C)CC1 38754731 IDHWMBRIRKGTKR-QFIPXVFZSA-N 368.521 4.235 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(Nc2ncccn2)c1 40060178 KSVYENCZATWPQZ-QGZVFWFLSA-N 364.474 4.431 0 40 FIAB O=C(NC1CCCC1)c1ccc(COc2cccc(Br)c2)o1 40140220 RDFSOQNFWORIOR-UHFFFAOYSA-N 364.239 4.294 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)c2ccc3c(c2)CCC3)C(F)(F)F)cc1 40155823 JFNBLEDINWBHGP-KRWDZBQOSA-N 369.408 4.066 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C1CCCCC1 41095646 QXPDLWFBPDFJNE-UHFFFAOYSA-N 359.919 4.390 0 40 FIAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccsc2)CC(O)=N3)c1 44904053 JTTXQNCMFWHCRU-CQSZACIVSA-N 368.414 4.369 0 40 FIAB CCCCNC(=O)C1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 46893745 LDEIKWUAELDURB-LJQANCHMSA-N 373.541 4.112 0 40 FIAB CCCOc1ccc(NCCC(=O)c2cc3ccccc3oc2=O)cc1 55142517 ACCFPOJSWWQBIE-UHFFFAOYSA-N 351.402 4.267 0 40 FIAB biogenic,in-vitro O=C(NCCCc1nc2c(s1)CCCC2)C12CC3CC(CC(C3)C1)C2 65576182 MFNMWHFMWZXDBC-UHFFFAOYSA-N 358.551 4.287 0 40 FIAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc2[nH]ncc12 65880375 XFIHVRNVONMVQA-UHFFFAOYSA-N 356.429 4.109 0 40 FIAB O=C1NCCCC[C@H]1Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12 71840983 CZNXWMILSQHCQX-CYBMUJFWSA-N 372.881 4.092 0 40 FIAB Cc1nc(C(=O)N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)co1 72358291 HVPRTMCIQNVHPJ-FQEVSTJZSA-N 365.408 4.085 0 40 FIAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccccc3)C2)c1 72358454 RZNNTOAJWDPQPI-FQEVSTJZSA-N 357.457 4.472 0 40 FIAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1C[C@H](C)c2ccccc21 95350360 OZFBNQGWCPFQDD-UONOGXRCSA-N 372.465 4.036 0 40 FIAB O=S(=O)(/C=C\c1ccccc1)N(Cc1ccccc1)Cc1ccco1 96514098 QVQXOCXROZSNST-SQFISAMPSA-N 353.443 4.283 0 40 FIAB CCCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1 218983130 MYAAPAWGPCPSHV-GOSISDBHSA-N 357.450 4.374 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222801777 HBKJMNVIFNAMHC-MOPGFXCFSA-N 367.449 4.473 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)[nH]1 223083633 PDQMJJOSFQYEJY-MOPGFXCFSA-N 354.523 4.332 0 40 FIAB Cc1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c1 223461210 DFFIRRHSEBZOAZ-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2ccc3ccccc3c2)c1 223614889 VXRFJWWAJYFTFW-UHFFFAOYSA-N 363.457 4.339 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)cc1C 224637642 INGQWSSJKYQTMM-KRWDZBQOSA-N 357.450 4.292 0 40 FIAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1CCc1ccccc1 225261478 RVWDHPLNNWLWIL-HXUWFJFHSA-N 373.452 4.042 0 40 FIAB COc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1Cl 225728153 CHLQNXMHHFDUBI-KBPBESRZSA-N 369.962 4.003 0 40 FIAB Cc1ccc(N(C)C(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1C 225873165 ZUFCESXVAOFLFA-UHFFFAOYSA-N 353.397 4.088 0 40 FIAB COc1cccc(N(C)C(=O)c2ccccc2Nc2nc(C)cc(C)n2)c1 225916541 KITSEJFXPJNTML-UHFFFAOYSA-N 362.433 4.122 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1 226268200 ZCZPJVTYYJPEBJ-UHFFFAOYSA-N 353.466 4.156 0 40 FIAB O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(Cl)ccc1Cl 513746631 ATAXIGUQHPGLHO-UHFFFAOYSA-N 360.244 4.152 0 40 FIAB CC(=O)Nc1ccc(NC(=O)C[C@H](c2ccsc2)n2cccc2)cc1 524732646 GJYBHNIJSBDZGD-GOSISDBHSA-N 353.447 4.126 0 40 FIAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)NCCc1ccc(O)cc1 524734920 JIYUFIFOYOOVNU-FQEVSTJZSA-N 368.864 4.186 0 40 FIAB Cc1cccc2nc(C3CCN(C(=O)CO[C@@H]4CCCC[C@H]4C)CC3)oc12 548714637 VJWUKHPLONLVFK-DNVCBOLYSA-N 370.493 4.438 0 40 FIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H]1CCc2c(Cl)cccc21 584387416 GIKLFDHRXPTMNT-ROUUACIJSA-N 372.900 4.481 0 40 FIAB CC(C)Cc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)O 585266721 NHCMEJQOZWJALP-QGZVFWFLSA-N 359.857 4.368 0 40 FIAB O=C1CCCc2cc(NCc3ccnn3CCc3ccccc3)ccc2N1 621342088 HXSMDWMXZIXRNA-UHFFFAOYSA-N 360.461 4.013 0 40 FIAB CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc2c(c1)CCCC(=O)N2 673403622 ADNWMLLNBHZEMM-HXUWFJFHSA-N 366.461 4.193 0 40 FIAB Cc1cc(CNc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)ccc1Cl 1657494305 ZROVGDYQLKNMMU-CQSZACIVSA-N 369.856 4.052 0 40 FIAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(Cl)cc1Cl 643371 JFQDGVJIWWNONM-UHFFFAOYSA-N 353.230 4.009 0 40 FIAB COc1ccc(NC(=O)c2c(NC(=O)C(C)C)sc3c2CCC3)cc1 994981 JODXCTMZEPIBAP-UHFFFAOYSA-N 358.463 4.092 0 40 FIAB COC(=O)[C@H](C)Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 1978326 OFLNAYAQSAVKBK-NSHDSACASA-N 358.777 4.054 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 2274641 IJWMWFJAADZGIM-OAQYLSRUSA-N 360.413 4.475 0 40 FIAB CCCCc1ccc(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc1 2435312 NBZBSNBWFONRSY-UHFFFAOYSA-N 374.510 4.362 0 40 FIAB O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(Cl)c(Cl)c1 3304710 SUSPMEZCXOSUJQ-UHFFFAOYSA-N 370.257 4.339 0 40 FIAB COc1ccccc1CNC(=O)COc1ccc(Nc2ccccc2)cc1 3614716 KUIQLRAZQOPWPM-UHFFFAOYSA-N 362.429 4.134 0 40 FIAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)C1CCCCC1 4078293 PIUOJHAOKVYFCF-UHFFFAOYSA-N 351.472 4.488 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCN=C1SCc1ccccc1 4119818 HFHAVMSWLACOJR-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(OC(F)F)cc1)CCC3 4183309 ZTWSNDLZYXTJLT-UHFFFAOYSA-N 366.414 4.200 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 4314919 DREKGDYVBGTAJA-UHFFFAOYSA-N 363.461 4.370 0 40 FIAB Clc1ccc(-c2nnc3sc([C@H]4COc5ccccc5O4)nn23)cc1 4511685 VENRNCGOKALNCT-CQSZACIVSA-N 370.821 4.019 0 40 FIAB O=C(/C=C/c1ccco1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 4554807 FLPMJARZUUXPSF-CMDGGOBGSA-N 364.792 4.319 0 40 FIAB CN1CCN(N(C(=O)Nc2cccc3ccccc23)C2CCCCC2)CC1 5510124 ZPMOWMRDMQVBSY-UHFFFAOYSA-N 366.509 4.169 0 40 FIAB CCc1cccc2c(C(=O)CSc3nncn3-c3ccccc3)c[nH]c12 5621846 ZSGQQXRESXYSTN-UHFFFAOYSA-N 362.458 4.286 0 40 FIAB CC(C)/N=C1\S/C(=C/c2cn(CC#N)c3ccccc23)C(=O)N1C(C)C 6325086 QSZMUGMAHSLGIU-AUCMGLCLSA-N 366.490 4.254 0 40 FIAB Cc1c(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)oc2cc(O)ccc12 6660779 QHLFUEYAZYBUTM-UHFFFAOYSA-N 351.402 4.112 0 40 FIAB CCOc1ccc(Cl)cc1CNCCCSc1nc(C)cc(C)n1 6678434 PBPLMXZTKKHCIJ-UHFFFAOYSA-N 365.930 4.418 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)NCc3ccc4c(c3)OCO4)s2)cc1 6756975 LONWNAKUSOLSOW-UHFFFAOYSA-N 366.442 4.086 0 40 FIAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)C3C[C@@H]4CCC[C@H](C3)C4=O)o2)cc1 7149129 ZEPCBKIZYGWWHO-KTFSGNIMSA-N 368.433 4.045 0 40 FIAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccc(OC(F)F)cc1 7409118 WCAFIUFFXADPMH-MDZDMXLPSA-N 359.781 4.354 0 40 FIAB O=C(OCc1cc(=O)oc2cc(O)ccc12)C1(c2ccccc2)CCCC1 7512459 BYBDJKVZJZJTLR-UHFFFAOYSA-N 364.397 4.054 0 40 FIAB CCOc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cccc1OC 7603123 VAIWONRAQKELOD-WJDWOHSUSA-N 371.414 4.453 0 40 FIAB O=C(COc1cccc(F)c1)Nc1nc(-c2cc(F)ccc2F)cs1 7723922 YENDXFMKJNJZTO-UHFFFAOYSA-N 364.348 4.245 0 40 FIAB Cc1ccc(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)cc1F 7975919 WHCZTBXYTXEMBS-UHFFFAOYSA-N 358.747 4.440 0 40 FIAB COc1ccc(CCC(=O)Nc2cccc(Br)c2)cc1OC 8206039 QXLVTLBZNGPLBX-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(C#N)cc2)S1 8277515 IGJXGNRETKPWLF-CXUHLZMHSA-N 353.834 4.412 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 8283862 PFLLYOPQKZXDTP-UZLBHIALSA-N 363.461 4.222 0 40 FIAB C[C@@H]1CCCCN1CCCNC(=O)C(c1ccccc1)c1ccccc1 8394075 WGFSOWRSUJBUKD-LJQANCHMSA-N 350.506 4.199 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(C)C 8496069 BFYLBVKBURHZEP-UHFFFAOYSA-N 357.834 4.412 0 40 FIAB CC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(F)(F)F)cc3)c2C)C1 8624053 DIIGGTARAJKVGL-GDBMZVCRSA-N 363.383 4.056 0 40 FIAB biogenic,in-vitro Cc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(F)cc2)cc1 9358803 RRNDUFJVWFYRLS-IBGZPJMESA-N 367.449 4.403 0 40 FIAB CCCn1c(=O)c2ccccc2n2c(SCc3cccc(C)c3)nnc12 9365638 TZGYZGFXIBDBKH-UHFFFAOYSA-N 364.474 4.055 0 40 FIAB COc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2)cc1 9422744 LHSOTARAYYYXHS-JOCHJYFZSA-N 374.440 4.471 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)s1 9834626 VYQJQMCUYLVQKY-UHFFFAOYSA-N 355.202 4.462 0 40 FIAB COc1ccc2cc(CNC(=O)/C=C/c3cnc4ccccc4n3)ccc2c1 9936635 WNOXLEOJZVMEGA-PKNBQFBNSA-N 369.424 4.121 0 40 FIAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)NC2CCCCC2)c1C 10347818 QZXJHVGDZYYLLJ-INIZCTEOSA-N 357.523 4.419 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842497 DNATXBOTDWKVEI-ZDUSSCGKSA-N 371.868 4.436 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 10925583 UASFYBGYDFFOMU-GFCCVEGCSA-N 358.825 4.095 0 40 FIAB Cc1ccc(C2(C(=O)N3CCC(c4onc5c4CCCC5)CC3)CC2)cc1 12119809 JIPHAUONTIZFRP-UHFFFAOYSA-N 364.489 4.300 0 40 FIAB O=C(O)c1cccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)c1 12900040 UWUKMAATYPRYTL-UHFFFAOYSA-N 360.413 4.458 0 40 FIAB biogenic O=c1cc(O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2[nH]1 13401867 XIUAHMMQTXUUOJ-UHFFFAOYSA-N 352.459 4.311 0 40 FIAB CC1CCN(CCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 13613571 DONJABAMGXLPFI-FCDQGJHFSA-N 362.517 4.465 0 40 FIAB CC[C@@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C)cc1 14241780 ZSJKIRVAJQJDDQ-MJGOQNOKSA-N 365.395 4.403 0 40 FIAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(SC)s3)o2)cc1 15518749 PKMKVQDSTZUGEX-QMMMGPOBSA-N 366.493 4.172 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)COCc1cc(-c2cccs2)on1 15679213 SPYHCBLTNOMKBH-OAHLLOKOSA-N 370.474 4.057 0 40 FIAB CCCCOc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 15831670 MUWCSDCRXKYUSP-SFHVURJKSA-N 356.466 4.025 0 40 FIAB c1ccc(CN2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)nc1 19376487 SWIDBTGDXMXWTN-SFHVURJKSA-N 357.417 4.017 0 40 FIAB COCc1c(C(=O)Nc2ccc3c(c2)ncn3C2CCCCC2)noc1C 19666817 IJYLIMJTBZQLLC-UHFFFAOYSA-N 368.437 4.237 0 40 FIAB CCOC(=O)CCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 20005120 FTMMZCFIWHWVCQ-UHFFFAOYSA-N 370.430 4.370 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc(C)c1-c1ccccc1 20159839 NAHMPAMAUYCXGU-AWEZNQCLSA-N 359.447 4.018 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 20492136 GFJBDNHDCBSPBN-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB O=C(OCc1nc(-c2ccsc2)no1)c1ccccc1C(F)(F)F 24761721 HHNXHNHRAXLPJH-UHFFFAOYSA-N 354.309 4.174 0 40 FIAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1c(C)noc1C 24800028 LBIKIRPILSVHMH-UHFFFAOYSA-N 370.280 4.449 0 40 FIAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C1=CC(=O)OC1 27525791 SNNJOYYRZHOKFM-RDIILWCNSA-N 358.522 4.489 0 40 FIAB Cn1ncc2c1CCC[C@H]2NCc1ccc(OCc2ccccc2F)cc1 30908859 YJGKOHOZCLNSCC-OAQYLSRUSA-N 365.452 4.305 0 40 FIAB CCC[C@H](C)NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 32778866 MUBVIEMUMMPRNL-LBPRGKRZSA-N 352.500 4.487 0 40 FIAB O=C(c1ccccc1OC(F)F)N1CC=C(c2c[nH]c3ncccc23)CC1 32901942 VJEARBBAZFALNJ-UHFFFAOYSA-N 369.371 4.094 0 40 FIAB Cc1c(C(=O)OC(C)C)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385125 OCPJVYXBQHGNEW-UHFFFAOYSA-N 372.856 4.442 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 57413765 OZHBYHLZIQWYON-GFCCVEGCSA-N 355.825 4.230 0 40 FIAB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 58017949 MBZQVUKZRHPLHB-MAUKXSAKSA-N 374.481 4.284 0 40 FIAB O=C(Nc1cnccc1Oc1ccccc1)c1cc2ccccc2oc1=O 58380300 ZXBBDHKBXVPGED-UHFFFAOYSA-N 358.353 4.233 0 40 FIAB Cn1cc(NC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)cn1 58405388 DEUFVYVWZXVMET-UHFFFAOYSA-N 366.421 4.173 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)cc1OC 60212752 RLHAJOWFXJHLAJ-JTQLQIEISA-N 371.380 4.481 0 40 FIAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccc3ccccc3n2)c(OC)c1 71800811 LYOHYVWNLMRXFA-VOMSXAGXSA-N 362.429 4.143 0 40 FIAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2Cc2ccc(F)cc2)n1 72354573 LCYJFHDKYKQFNC-IBGZPJMESA-N 366.415 4.341 0 40 FIAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc2N1 78403945 DSAPEKAFVUIMSF-VIFPVBQESA-N 357.262 4.151 0 40 FIAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc2N1 78403952 MGZLZYWZADHIQB-VIFPVBQESA-N 357.262 4.151 0 40 FIAB O=C(NCc1cccs1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 90613857 NPCWAEUSDOWMMP-HNNXBMFYSA-N 371.289 4.338 0 40 FIAB O=[S@@](Cc1cc(-c2ccccc2)on1)Cc1cc(-c2ccccc2)no1 95349430 MBJOEWYCZFUCIR-AREMUKBSSA-N 364.426 4.446 0 40 FIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1ccncc1 95477481 CXJDRLNZCPMSBV-LJQANCHMSA-N 367.880 4.069 0 40 FIAB Cc1ccc(-c2csc(N3CCCN(c4nccs4)CC3)n2)cc1 95964991 QQCWUTKQBBZKOE-UHFFFAOYSA-N 356.520 4.292 0 40 FIAB CCc1nc2ccccc2n1Cc1nc2sc(C(C)(C)C)cc2c(=O)[nH]1 97164492 JRFKCARTSQRKQB-UHFFFAOYSA-N 366.490 4.243 0 40 FIAB O=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 98212252 XQIXGFFHKIXITI-QGZVFWFLSA-N 367.836 4.296 0 40 FIAB CC(C)c1cnc(NC(=O)NC2(c3ccc(F)cc3)CCOCC2)s1 192400006 UEZQAOZZOUHSGK-UHFFFAOYSA-N 363.458 4.233 0 40 FIAB O=C(NC[C@@H]1CCCN1c1ccccc1)C1(c2cccs2)CCCC1 211117522 AXGLUTHEJXVBIU-SFHVURJKSA-N 354.519 4.345 0 40 FIAB O=C(OCc1ccc(Cl)cc1Cl)c1snnc1-c1cccnc1 223852180 CWGJVXZEFPFQNT-UHFFFAOYSA-N 366.229 4.264 0 40 FIAB COc1ccccc1CN(C)C(=O)CSCc1ccc(Cl)cc1F 224808090 UWWQLJJGRUVUAO-UHFFFAOYSA-N 367.873 4.380 0 40 FIAB CCOc1cccc(NC(=S)NCCCSCc2ccco2)c1 225594371 LNCZLAWYQMKBJO-UHFFFAOYSA-N 350.509 4.288 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2cccc(Cl)c2)no1)c1ccc(F)cc1 225809998 FSPQPBFZZOQACL-GFCCVEGCSA-N 373.815 4.339 0 40 FIAB COC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1 226326078 VWBGIFLTZZEWFF-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB Cc1cc(C)c(OCC(=O)n2nnc3cccc(Cl)c32)c(Cl)c1 226359917 QRVXKJZGBSOEAK-UHFFFAOYSA-N 350.205 4.074 0 40 FIAB CN=c1ccc2c(-c3ccccc3C(=O)O)c3ccc(NC)cc3oc-2c1 254384190 QCRIAIGCQBOVLG-UHFFFAOYSA-N 358.397 4.475 0 40 FIAB COc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1Cl 408619239 ANIQJQAJFGZWEI-UHFFFAOYSA-N 363.694 4.166 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)c1 409237518 XEDBJVSABKSXGD-MHWRWJLKSA-N 360.335 4.107 0 40 FIAB CCC(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 823840 HPXURXXKAMNZDF-JTQLQIEISA-N 363.594 4.340 0 40 FIAB CC(C)C(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 1264766 HIFHURPSKSPCEP-UHFFFAOYSA-N 360.211 4.247 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1Cl 1389858 XTFNJYKHJFJMBI-INIZCTEOSA-N 363.244 4.123 0 40 FIAB CCOc1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 1943663 AZBHLNGMDRJKQF-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB CCC(=O)Oc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 2059261 COENAQUQRIYDAZ-ZHZULCJRSA-N 371.392 4.500 0 40 FIAB CC(C)C(=O)c1cc2c(cc1NC(=O)c1cccc(Cl)c1)OCCO2 4733238 JOCXEBSDOWZAHT-UHFFFAOYSA-N 359.809 4.202 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 4975558 GVIJXAGQFJBJRO-COMQUAJESA-N 361.507 4.424 0 40 FIAB CCOc1ccc(-c2nnc3n2N=C(c2ccccc2C)CS3)cc1 5519487 DZZUKHWCNDGBEN-UHFFFAOYSA-N 350.447 4.010 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1OC 5658331 CIHVIWFSMBRRSK-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB O=C(NCc1ccc(F)cc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 5728894 QJJVSGWYELLEIF-UHFFFAOYSA-N 371.721 4.076 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)o2)c1 6373937 AZJHXHSUDUCTFK-CYBMUJFWSA-N 373.478 4.439 0 40 FIAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc2ccccc12 6536539 RURHZMHYIQJQKL-UHFFFAOYSA-N 364.514 4.413 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)c(OC)c1 6649593 PUECFDQODXNGBQ-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 7360338 KSDWYJXAZZDUOK-GOSISDBHSA-N 355.507 4.124 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7882005 HAFVFJCAGGEOAQ-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB c1cc2c(cc1-c1csc(Cc3nnc4n3CCCCC4)n1)CCC2 7987601 PJJQRFLPVXGKIF-UHFFFAOYSA-N 350.491 4.208 0 40 FIAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8279474 PBHBHQOHXPUGBT-HXUWFJFHSA-N 363.457 4.314 0 40 FIAB Cc1ccsc1CN(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 8339721 PDKAKQIQXOOOLK-UHFFFAOYSA-N 351.475 4.392 0 40 FIAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCCN(C)C)ncnc32)c1 8415072 JRORUNFAIRWNQB-UHFFFAOYSA-N 371.488 4.369 0 40 FIAB COc1cc(C)c(NC(=O)c2ccc(Br)cc2)cc1OC 8735863 CGCPTSALTRFJPM-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(NCC(C)C)s1 8756249 LUQJSWFDIFXSKZ-UHFFFAOYSA-N 364.540 4.208 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2cc3ccc(F)cc3nc2C)c1 9337227 MJGVKMKLMQFYIC-UHFFFAOYSA-N 352.365 4.030 0 40 FIAB C[S@@](=O)c1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 10412558 ATDMEHHCYVPGDN-CMJOXMDJSA-N 365.907 4.044 0 40 FIAB COc1ccc(Cl)cc1NC(=O)C1=C(c2ccccc2)SCCO1 12391148 HRMIXBYZYNCUGZ-UHFFFAOYSA-N 361.850 4.419 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3n2CCC(C)C)no1 12520371 CVBBGPFBAFYOAU-AWEZNQCLSA-N 372.494 4.498 0 40 FIAB CCn1c(SCC(=O)Nc2cccc3ncccc23)nc2ccccc21 12525432 KVEJPKCFMWFDQB-UHFFFAOYSA-N 362.458 4.335 0 40 FIAB CCC(CC)C(=O)Nc1cc(Br)c(O)c(Br)c1 13941655 BBLSABMDUDTQBO-UHFFFAOYSA-N 365.065 4.292 0 40 FIAB O=C1CSc2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2N1 14182668 BWSLCVPJFCDGJN-UHFFFAOYSA-N 373.484 4.168 0 40 FIAB CCCOc1ccc(NC(=O)COc2cccc(C)c2)c2cccnc12 15840937 KLNCRJMBKYFZRX-UHFFFAOYSA-N 350.418 4.350 0 40 FIAB COc1ccccc1-n1c(S)nnc1CSCc1cccc(C)c1 17073848 KLWZPTHACFJPNX-UHFFFAOYSA-N 357.504 4.306 0 40 FIAB Cc1cnccc1-c1c[nH]nc1[C@H]1CCCCN1C(=O)c1cccc(F)c1 19239600 MZEYTPUSSHEOKL-LJQANCHMSA-N 364.424 4.287 0 40 FIAB COc1ccc(N)cc1NC(=O)CCCOc1ccc(Cl)cc1Cl 19736169 WIJDXJNNJGSSES-UHFFFAOYSA-N 369.248 4.382 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccccc1Cl 20137791 AEZPPEGBKBPZCJ-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 20671511 IOIOYCWXVQPSJE-CYBMUJFWSA-N 370.453 4.068 0 40 FIAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2onc(C)c12 22239785 ONMNFIFQQVKECC-UHFFFAOYSA-N 359.385 4.459 0 40 FIAB COc1ccc(CN(C(=O)c2ccc(F)cc2Cl)C2CC2)c(OC)c1 25760989 BHQOOHGTBOQMGD-UHFFFAOYSA-N 363.816 4.301 0 40 FIAB CCOc1cc(C(=O)NCc2cccc(C)c2)cc(OCC)c1OCC 31107488 UQXRVYFHIZNTEY-UHFFFAOYSA-N 357.450 4.121 0 40 FIAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cccc(N(C)C)c3)oc12 32744951 OEKQWNCPOUMDLO-CQSZACIVSA-N 352.434 4.389 0 40 FIAB Cc1nc2nc(SCc3nc4ccccc4n3C(F)F)nn2c(C)c1C 32935009 JQRCQAJEXKDYMU-UHFFFAOYSA-N 374.420 4.087 0 40 FIAB COCc1c(C(=O)OCc2nc3ccccc3nc2C)oc2ccccc12 32957629 IDLWYGBVTHURLW-UHFFFAOYSA-N 362.385 4.188 0 40 FIAB Cc1nc(NCCC(=O)N2CCCC2)c2cc(-c3ccccc3)sc2n1 36394546 FCGRBXPOUQGGSZ-UHFFFAOYSA-N 366.490 4.091 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(C(=O)c2ccoc2)C1 36729360 MLPQLXGVZRDNCR-NSHDSACASA-N 367.232 4.077 0 40 FIAB CC(C)N(C)Cc1ccccc1CNC(=S)Nc1ccc(F)cc1F 36847598 SOPULHWKUHECQC-UHFFFAOYSA-N 363.477 4.292 0 40 FIAB COc1cc(CNCCc2ccc(C(F)(F)F)cc2)cc(OC)c1OC 38478226 BMDCJUWNAMQNNG-UHFFFAOYSA-N 369.383 4.064 0 40 FIAB Cc1cc(NC[C@@H]2CCCO2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216732 UGVOACLPAUDCIB-INIZCTEOSA-N 356.857 4.257 0 40 FIAB Cc1cccc2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3)[nH]c12 41108673 XNVWHLKYZWSDHC-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)Cc2noc(-c3ccsc3)n2)cc1 47661112 NQSBXCXROWIURF-UHFFFAOYSA-N 362.476 4.070 0 40 FIAB Cc1nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c(=S)n1C1CC1 47996169 SRKOQKUHVAKCPE-CQSZACIVSA-N 369.494 4.036 0 40 FIAB Cc1cccc(N2CCN(C(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)CC2)c1 48311124 SYMKOGDMUADEFZ-CEMLEFRQSA-N 372.553 4.121 0 40 FIAB COc1ccc(CNC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1OC 48362582 DZOQDYWDTAELNK-KRWDZBQOSA-N 362.495 4.352 0 40 FIAB COc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 57525462 NXWVQPBQURSMML-HNNXBMFYSA-N 369.461 4.027 0 40 FIAB Cc1ccc(OCc2nc(CNc3ccnn3CC(C)C)cs2)cc1 75110412 OSCLLURFBWQNMD-UHFFFAOYSA-N 356.495 4.495 0 40 FIAB C[C@H](CNc1ccccc1)NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 79110584 NDJUZXYKZPRBFO-CQSZACIVSA-N 374.435 4.187 0 40 FIAB COc1cc2c(cc1OC)[C@H]1[C@@H](C)c3ccc4c(c3CN1C=C2)OCO4 95865018 XSOKSDXTNIQQJD-FKIZINRSSA-N 351.402 4.077 0 40 FIAB biogenic Cc1nc(-c2noc3ccc(C(=O)Nc4cccnc4C)cc23)cs1 96266542 IAURIJSOLNYWET-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)Nc2ccc(C)cc2)cc1 100519840 COCMZWLQAPPVOH-IDPBPBMLSA-N 360.457 4.319 0 40 FIAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1Br)n2C 100812007 PVYULUBJNFCHST-FBMGVBCBSA-N 361.264 4.052 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1 104534445 YMQIGJBNLWYISY-AWEZNQCLSA-N 351.368 4.222 0 40 FIAB CC(C)Oc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222580502 SSLODWHSBGZBEB-ZOCIIQOWSA-N 353.491 4.458 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccc(F)cc2)nc1 222613037 AAFPOYQYDJDMJM-UHFFFAOYSA-N 372.197 4.298 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 223692391 NAWXNNYATQYOEC-JKSUJKDBSA-N 371.477 4.472 0 40 FIAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224480002 ZUSUGQNQHQOMQJ-QZTJIDSGSA-N 368.893 4.251 0 40 FIAB CCOc1ccccc1NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224846938 RXHGRARRXKRBMX-UHFFFAOYSA-N 366.417 4.320 0 40 FIAB O=C(c1ccccc1NC(=S)Nc1ccc(Cl)cc1)N1CCCC1 225462603 HEHHFVISNRPUIT-UHFFFAOYSA-N 359.882 4.385 0 40 FIAB CCc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)cc1 225739485 DHKFBCJYMYHNDV-INIZCTEOSA-N 353.535 4.377 0 40 FIAB Fc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1Cl 225780005 CKPRVCQGCLOMGY-UHFFFAOYSA-N 359.253 4.498 0 40 FIAB COc1ccccc1OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 226855886 VCFYLLBRJJGCTE-UHFFFAOYSA-N 367.637 4.423 0 40 FIAB CC(C)n1nccc1-c1cccc(CC2CCN(C(=O)C(C)(C)C)CC2)n1 257263900 LRYFJXLSCRZUEG-UHFFFAOYSA-N 368.525 4.353 0 40 FIAB Cc1cc(-c2c(C)noc2C)nc([C@H]2CCCCN2Cc2nccs2)n1 257302526 SDFNKWPEZIVBIC-MRXNPFEDSA-N 369.494 4.241 0 40 FIAB CCSc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(Oc1ccccn1)C2 390832190 XXHWAZMKKXUIPS-HOTGVXAUSA-N 368.502 4.408 0 40 FIAB Cc1cc(OC[C@]2(O)CCCN(C3CCCCC3)C2)cc(C)c1Cl 585282173 YNOANOUWIURABP-FQEVSTJZSA-N 351.918 4.495 0 40 FIAB Cc1ccc2nc([C@@H]3CCCN3C(=O)NCc3cscc3C)[nH]c2c1 683847920 UBFNZUFMZFRHNO-KRWDZBQOSA-N 354.479 4.288 0 40 FIAB COC(=O)c1csc(SCc2cc(Br)cs2)n1 1189407952 QPPBNWCLPWZEPD-UHFFFAOYSA-N 350.284 4.046 0 40 FIAB COc1ccc(OCc2nn3c(-c4ccccc4Cl)nnc3s2)cc1 641675 VIXVVELNPXOCTB-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 904698 JDUROVFYOVLCLN-UHFFFAOYSA-N 374.849 4.490 0 40 FIAB O=C1C[C@@H](c2ccc(Br)cc2)c2c(ccc3ncccc23)N1 974325 VQGFWOCUHCTBMP-AWEZNQCLSA-N 353.219 4.471 0 40 FIAB COc1ccc(CCNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1OC 978484 YQOGXQFQNKOPQX-KRWDZBQOSA-N 369.505 4.365 0 40 FIAB biogenic CC[C@@H](C)NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C 3448748 NMECCZDEGJFGOF-OAHLLOKOSA-N 354.450 4.119 0 40 FIAB CC[C@H](C)NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C 3448751 NMECCZDEGJFGOF-HNNXBMFYSA-N 354.450 4.119 0 40 FIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCO2 3503901 WPQMQABWJUHRON-SNVBAGLBSA-N 358.444 4.144 0 40 FIAB CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 4161126 MYGKQGDELTXAJG-UHFFFAOYSA-N 364.232 4.283 0 40 FIAB Cc1ccc(C)c(-c2nnc(NC(=O)CSc3ccc(F)cc3)o2)c1 4496760 JILUWJZLCKHVNX-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 4777204 DLRKZYXLECSCSH-UHFFFAOYSA-N 374.440 4.268 0 40 FIAB CCOc1ccc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1 5002151 XDYOLFZBYUHUHJ-QGZVFWFLSA-N 374.440 4.230 0 40 FIAB Cc1cccc(C)c1-n1nnnc1SCc1nc2ccccc2s1 5391517 AVEULQPNDFCXGD-UHFFFAOYSA-N 353.476 4.181 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)C1CCC1)c1ccccc1 5507346 DRROCSFWAMXCDT-IBGZPJMESA-N 353.418 4.027 0 40 FIAB COC(=O)c1c(C)cccc1[C@@H]1CN=N[C@]12Cc1ccc(C)c(C)c1C2=O 5539678 RKEMEWKNLCHNAP-HTAPYJJXSA-N 362.429 4.126 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccncc1 5636248 HEQICYRSERRMAJ-QGZVFWFLSA-N 368.440 4.425 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)o1 5937609 CURVPMBRQZIWJP-UHFFFAOYSA-N 352.390 4.014 0 40 FIAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(Cl)cc3Cl)oc12 6458221 GVLIQHUVEXECIA-FXBPSFAMSA-N 363.200 4.080 0 40 FIAB CCOc1ccccc1OCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 6552476 PVJFWFJFOOEUKG-AWEZNQCLSA-N 370.474 4.293 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 7072420 XXTAQWMPUMUXHV-NVXWUHKLSA-N 366.461 4.200 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)cc1 8041756 YARIYJMVTMUVAW-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB CCCCc1ccc(-n2nc3ccc(NC(=O)C(F)(F)F)cc3n2)cc1 8071123 AVHYOVYMNJCUBM-UHFFFAOYSA-N 362.355 4.264 0 40 FIAB COc1ccc(NC(=O)c2ccc(COC(=O)C3CCCC3)cc2)cc1 8395653 LGRGNXFSAQUPKR-UHFFFAOYSA-N 353.418 4.181 0 40 FIAB COc1ccc(Cn2c(CO)cnc2SCc2ccccc2C)cc1 8609814 OTLADZHNVQQSGA-UHFFFAOYSA-N 354.475 4.033 0 40 FIAB O=C([C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1)N1CCCCC1 8750907 DULQAZJOHSYDFK-MRXNPFEDSA-N 369.446 4.176 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)OCc3ccccc3)cc21 8959471 PSGCTZTVJHUCGX-UHFFFAOYSA-N 368.433 4.207 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1cccs1 9037096 ZQRRSQSAPQUCNJ-UHFFFAOYSA-N 368.483 4.260 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 9053778 VUDROSVEZJNWLL-UHFFFAOYSA-N 364.426 4.455 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCC1=CCCCC1 9061815 BRGHTJHQMCFQDH-UHFFFAOYSA-N 357.903 4.216 0 40 FIAB Cc1ccc(C(=O)Nc2cnc3sc4cc(Cl)ccc4n3c2=O)cc1 9775220 KJMXTIBAFJNOCY-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C)[nH]3)cs2)cc1 11703280 OYYZKQMFNSVRSI-UHFFFAOYSA-N 373.507 4.109 0 40 FIAB CCN(CC)C(=O)CSc1nnc(-c2ccccc2)c2sc(C)nc12 12232820 RRBYMEYZCLFJII-UHFFFAOYSA-N 372.519 4.022 0 40 FIAB CCOc1ccc2nc(SCC(=O)Nc3ccc(C)c(F)c3)[nH]c2c1 12541600 IYXYLXIRTBKZSF-UHFFFAOYSA-N 359.426 4.140 0 40 FIAB C[C@@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccncc1 12543237 JFNNQNPNJRBKHM-CYBMUJFWSA-N 357.504 4.441 0 40 FIAB CC(=O)c1c(C)nc(C)nc1S[C@H](C)C(=O)Nc1cc(C)ccc1C 12740786 GCOVZHCPFCMXLQ-CQSZACIVSA-N 357.479 4.032 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(F)c2)c1 13000924 MIUSINFHINUZIP-UHFFFAOYSA-N 364.376 4.339 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13695048 DKRLQVRIIPGYBD-UHFFFAOYSA-N 366.436 4.086 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 14291442 KPTAIPFESMJCIP-UHFFFAOYSA-N 360.660 4.044 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NCCCOc2ccccc2F)c1 15712982 PJPYLPNDWXYAFD-UHFFFAOYSA-N 359.441 4.222 0 40 FIAB O=c1[nH]c(-c2ccc(F)cc2)nc2c1sc(=S)n2-c1ccccc1 15988055 HQKVCSDEEBHKFK-UHFFFAOYSA-N 355.419 4.311 0 40 FIAB aggregator O=C(C1CC1)N1[C@H]2CC[C@@H]1Cc1nc(C3CC3)nc(Nc3ccccc3)c12 19373005 VDJYBSUSLRIGFD-AEFFLSMTSA-N 360.461 4.096 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 19681239 JFNYHDGYASLIHI-UHFFFAOYSA-N 364.276 4.343 0 40 FIAB Cc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 19932021 RBCOECDBVDEGPT-UHFFFAOYSA-N 356.469 4.488 0 40 FIAB CCOc1cc2c(cc1OCC)[C@@H](c1cc(F)c(F)c(F)c1)NCC2 20506977 RCVMBCBJDKISLF-LJQANCHMSA-N 351.368 4.136 0 40 FIAB CC(C)(C)c1noc(CSc2nnc(Nc3ccc(F)cc3)s2)n1 24048307 VLHUTRFMXPSOTH-UHFFFAOYSA-N 365.459 4.394 0 40 FIAB Cc1nc(/C=C/C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cs1 24472903 CDSVHZZAYDDYJF-FNORWQNLSA-N 352.381 4.463 0 40 FIAB Ic1cccc(Oc2ncnc3ccsc23)c1 24717115 WSKJJAIBZGCYEB-UHFFFAOYSA-N 354.172 4.088 0 40 FIAB C[C@@H](N[C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1Cl 24808525 HRWVRJRPXOSOQI-SJKOYZFVSA-N 351.277 4.474 0 40 FIAB CN(C(=O)c1cccc(Nc2ncccn2)c1)[C@@H]1CCCc2ccccc21 24913267 STYRWIXFCODQAI-HXUWFJFHSA-N 358.445 4.370 0 40 FIAB O=C(NC1CC1)[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 25053556 IDVVDWSWBLVKAE-MRXNPFEDSA-N 368.330 4.156 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3S2)cc1OC 25618226 KDKUCUPHCCSZLX-OXQOHEQNSA-N 369.486 4.084 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(Cc3ccccc3)n2)cc1F 30447045 SBDKEJZCNYMTSA-UHFFFAOYSA-N 354.450 4.219 0 40 FIAB CCOc1cc(C(=O)NCc2cccnc2)cc(-c2ccccc2)c1OC 32152922 QJCSGXYHSMWMSZ-UHFFFAOYSA-N 362.429 4.086 0 40 FIAB COc1ccc(F)cc1COC(=O)c1cccnc1Oc1ccccc1 32666168 RUOWJEAGDAJZFQ-UHFFFAOYSA-N 353.349 4.379 0 40 FIAB O=C(CSCc1ccc(Cl)s1)Nc1ccc2c(c1)OCCO2 32892052 RWMRHCOBJFTVKX-UHFFFAOYSA-N 355.868 4.045 0 40 FIAB Cc1ccc(-c2noc([C@@H](C)Sc3nnc(-c4ccc[nH]4)o3)n2)cc1F 32901646 RCEYOHCLLSBDLM-SNVBAGLBSA-N 371.397 4.416 0 40 FIAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)OCc1cn2ccccc2n1 32903499 LKPIMLOIHGCEAF-UHFFFAOYSA-N 367.792 4.308 0 40 FIAB CC(C)N(C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3)C(C)C 32945348 GVWZJPZWQBXPFA-OAHLLOKOSA-N 370.493 4.095 0 40 FIAB Cc1ccc2[nH]c(CSCC(=O)Nc3ccc(Cl)cc3)cc(=O)c2c1 33063644 ADFYCXDHUVSXOK-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 35566755 IIVBFTNIGYRNQY-NTQGCYDRSA-N 370.489 4.185 0 40 FIAB biogenic C[C@H](CC(=O)NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1 36396828 JEOLVNNYHDYWRN-CQSZACIVSA-N 365.399 4.212 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1OC(F)F 36696942 LZWLNHJJYCYJLW-ZROKWJESSA-N 353.409 4.251 0 40 FIAB O=C(Cn1ccc2ccc(Cl)cc21)NCCc1c[nH]c2ccccc12 40309072 BROVLWCAGALLPP-UHFFFAOYSA-N 351.837 4.135 0 40 FIAB biogenic Cc1ncsc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 43269860 BIUBNSQBZFXWGV-UHFFFAOYSA-N 367.261 4.255 0 40 FIAB Cc1nc(NC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)oc1C 65826539 UWYMANYEGMIQAE-UHFFFAOYSA-N 371.437 4.044 0 40 FIAB COc1ccccc1C(=O)Nc1c(C)cccc1NC(=O)NC(C)(C)C 66089522 FVFFXSQFFXCFAY-UHFFFAOYSA-N 355.438 4.176 0 40 FIAB Cc1nc2cc(F)cc(C(=O)Nc3cccc(-c4cnco4)c3)c2nc1C 69517910 WHSYAKDGRHFDFI-UHFFFAOYSA-N 362.364 4.293 0 40 FIAB CC(=O)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215615 QFQDDSMFKWUHCE-GOSISDBHSA-N 373.497 4.449 0 40 FIAB CC/C=C/C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 72280311 DEVYYZKZCBKWQM-MUPIXQSSSA-N 357.475 4.206 0 40 FIAB CCCCCN(C(=O)Nc1ccc(OCCOC)nc1)[C@@H](C)CCC 72289023 OYHVOWRJOWXGEY-INIZCTEOSA-N 351.491 4.320 0 40 FIAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1cccc2[nH]ccc12 72310061 DHPAOKANTDPBBU-HXUWFJFHSA-N 367.880 4.388 0 40 FIAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 72333913 ZLMGFJQAQDDWJY-LBPRGKRZSA-N 366.244 4.336 0 40 FIAB Cc1cc(-c2cnc(NCc3ccccn3)nc2-c2ccc(C)s2)on1 72337394 VVGGVEVPNKMYIH-UHFFFAOYSA-N 363.446 4.484 0 40 FIAB O=C(Nc1ccccc1F)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 77171596 QSWFDZTXLOJRQN-INIZCTEOSA-N 368.330 4.450 0 40 FIAB CSc1ccccc1C(=O)NCCCn1ccnc1-c1ccccc1 85555067 ZIJDXDQCPBVCIF-UHFFFAOYSA-N 351.475 4.092 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)cc1Br)CC2=O 100225825 FGYMPQQTTTUHCE-IAGOWNOFSA-N 368.246 4.312 0 40 FIAB COCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2ccccc21 100872481 UACDBUJPLYNDQM-DQRAZIAOSA-N 362.454 4.244 0 40 FIAB COc1cc(F)c(NC(=O)c2cnc(-c3ccccc3)s2)cc1OC 107164548 XFZWEFMCYMAWEJ-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2)n1 107627015 GGVFOJBPPBHOCQ-UHFFFAOYSA-N 364.430 4.458 0 40 FIAB O=C(c1cc(-c2ccccc2)on1)N1CCc2cc(Br)ccc21 109237140 GJLKDUXIFZBNSG-UHFFFAOYSA-N 369.218 4.307 0 40 FIAB COc1ccc(NC(=O)CC(C)(C)CC(=O)Nc2ccc(C)cc2)cc1 199423304 UBNQWGDQRFTCQI-UHFFFAOYSA-N 354.450 4.387 0 40 FIAB CC1CCN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)CC1 223934887 CBRMECQDENNYGO-UHFFFAOYSA-N 374.941 4.458 0 40 FIAB CCCc1ccc(OCCNC(=O)COc2cc(C)cc(C)c2C)cc1 224267839 IJBYLOBXHSLHPK-UHFFFAOYSA-N 355.478 4.138 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cccc(C)c3)s2)cc1 225386880 JNLHVGBRZLNNDN-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCOC1CCCCC1 225617861 UPCRCVMUSNDGNJ-KRWDZBQOSA-N 359.510 4.188 0 40 FIAB CO[C@H](CNC(=O)CSCc1ccccc1)c1ccc(Cl)s1 225702370 TZXSCJSZEAPLEY-CYBMUJFWSA-N 355.912 4.139 0 40 FIAB O=S1(=O)c2ccccc2N[C@H](c2cccs2)N1Cc1ccccc1 409120729 SINIUOAVNDMCGD-SFHVURJKSA-N 356.472 4.063 0 40 FIAB COc1ncccc1NC(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1 524733987 KLNYIXBIPLBRNG-QGZVFWFLSA-N 355.825 4.163 0 40 FIAB CCc1cnc(CNC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)s1 565820095 PYTJJUKAFXUCGS-MRXNPFEDSA-N 369.494 4.019 0 40 FIAB O=C(NC[C@@H](c1ccco1)c1cccs1)C1(c2ccc(F)cc2)CC1 606440315 BULPEDJDUYRYEB-INIZCTEOSA-N 355.434 4.460 0 40 FIAB C[C@H](CN1CCC(C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 785799 MKGWRVSCBAINJD-LJQANCHMSA-N 350.506 4.161 0 40 FIAB CCN(CC)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1C)CCC2 1342672 NHSWNXUXMWNWFG-UHFFFAOYSA-N 370.518 4.057 0 40 FIAB FC(F)=C(F)CCSc1nc2nccc(-c3ccc(F)cc3)n2n1 1389741 XXXCXOLQMBONNF-UHFFFAOYSA-N 354.332 4.490 0 40 FIAB CCc1cc2c(SCC(=O)Nc3ccccc3C(C)=O)ncnc2s1 2620951 XIZDWGJURQJGPA-UHFFFAOYSA-N 371.487 4.187 0 40 FIAB O=C(CCCc1cccs1)OCC(=O)c1ccccc1Br 3229032 IOUJEAHDCZRGAU-UHFFFAOYSA-N 367.264 4.259 0 40 FIAB CN(C(=O)CSc1nnc(Nc2ccccc2F)s1)c1ccccc1 3376432 GBKCTRSBPUQXHQ-UHFFFAOYSA-N 374.466 4.176 0 40 FIAB Cc1cc(C)c2nc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n3c2c1 3663386 PJQJADSHNQZJMR-PDGQHHTCSA-N 362.498 4.371 0 40 FIAB O=C(CSc1nc2cccnc2n1C1CCCCC1)NC1CCCC1 4852482 MVHADYWLNNTZIK-UHFFFAOYSA-N 358.511 4.087 0 40 FIAB CC[C@H](C)NC(=O)CC12CC3CC(C1)CC(CC(=O)N[C@@H](C)CC)(C3)C2 5575602 NPNUTFMKWBAEBC-GMAGEZHLSA-N 362.558 4.183 0 40 FIAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)o1 5582269 MYIDXWUVCQMBSV-UHFFFAOYSA-N 369.524 4.362 0 40 FIAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cccc(C)c2)c1 6263845 BSKDLAIBVAZHDW-UHFFFAOYSA-N 360.841 4.405 0 40 FIAB CCCCOc1ccc(C(=O)NCc2noc(-c3ccc(C)cc3)n2)cc1 6397711 LYJZPBFLXUOUGR-UHFFFAOYSA-N 365.433 4.154 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccccc1F 6753252 HDAOTUGHPGIWFU-FQEVSTJZSA-N 365.408 4.185 0 40 FIAB O=C(NCc1ccc(F)cc1)c1ccccc1OCCOc1ccccc1 7345794 DDBLJVLEHWHXJK-UHFFFAOYSA-N 365.404 4.214 0 40 FIAB CCn1c(SCC(=O)c2ccc(OC)c(F)c2)nnc1-c1ccccc1 7440402 STIPQQBLBBRXLY-UHFFFAOYSA-N 371.437 4.088 0 40 FIAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)c1 7533156 SSICZPOQXYMKQX-SFHVURJKSA-N 367.426 4.294 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1nc(-c2ccccc2)oc1C 8036418 OWSRLMGJEMCYMK-UHFFFAOYSA-N 374.396 4.479 0 40 FIAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)c(Cl)c1 8286801 QCPADEQJERCWKV-CQSZACIVSA-N 367.257 4.435 0 40 FIAB Cc1ccc(Cl)cc1Nc1nnc(Cc2ccccc2Cl)c(=O)[nH]1 8558373 MRZGRKIFACFOOQ-UHFFFAOYSA-N 361.232 4.115 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2c(s1)CCCCC2 8750115 JCVGQODCJHQUSF-MRXNPFEDSA-N 358.507 4.177 0 40 FIAB CCn1nnc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 8754618 XBQQWPUROVTECT-UHFFFAOYSA-N 358.401 4.496 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NC3CCCC3)s2)cc1 8771353 YRMJFJPYEUQSQL-UHFFFAOYSA-N 358.467 4.076 0 40 FIAB O=C(Nc1ccc(Cl)cc1F)C1CCN(c2nc3ccccc3o2)CC1 8919477 FRSUXOKAUJJALM-UHFFFAOYSA-N 373.815 4.475 0 40 FIAB CCOc1nn(CC)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 9070410 ZVDSLAKSPNNBEU-UHFFFAOYSA-N 351.406 4.346 0 40 FIAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)cc(Cl)c1 9709731 JDAATSRARJQXHZ-UHFFFAOYSA-N 374.231 4.234 0 40 FIAB C[C@H]1Cc2cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)ccc2O1 10299110 FMZCMYNJBPTPFP-LBPRGKRZSA-N 350.414 4.138 0 40 FIAB O=C(c1cccc2cccnc12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10545824 AWDUIRFZZPCOTK-MRXNPFEDSA-N 356.429 4.131 0 40 FIAB Cc1sc(-c2ccccc2F)nc1C(=O)Nc1ccc2c(c1)OCO2 11691893 XGVCHIUBVQZMJH-UHFFFAOYSA-N 356.378 4.239 0 40 FIAB Cn1c(Cc2ccccc2)nnc1SCc1cccc(Br)c1 11975440 WALPSYNHNUEPKK-UHFFFAOYSA-N 374.307 4.461 0 40 FIAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc2ccccc2c1 12517575 MLPIKFMHNJIAES-UHFFFAOYSA-N 359.473 4.152 0 40 FIAB CC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl 12557198 HPRKCBCXINIOST-UHFFFAOYSA-N 350.248 4.058 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(Cn2cccn2)cc1 12626000 DEJXZESRSQKGSR-UHFFFAOYSA-N 363.505 4.154 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)cc1 12683417 XYNNCUYVSWQEJR-INIZCTEOSA-N 366.486 4.450 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCC[C@@H](C)C3)c12 13641945 LENVSJOOPZRRCK-GFCCVEGCSA-N 353.397 4.209 0 40 FIAB Cc1cnc(NC(=O)CCn2ccc3ccc(Br)cc32)s1 13729632 NVPPGUXUORWMHI-UHFFFAOYSA-N 364.268 4.198 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3ccccc3o2)c1 14118761 JQRCQUCKZAGAQU-QGZVFWFLSA-N 351.402 4.427 0 40 FIAB Clc1ccc(CSc2nnc3n2N=CN(c2ccccc2)C3)cc1 19897468 WMTRNKXWKHTJHQ-UHFFFAOYSA-N 355.854 4.035 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 19931838 JLPJFXUZJLQGEE-JTQLQIEISA-N 368.216 4.186 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20144103 LTVKLTZGMKIDKW-UHFFFAOYSA-N 361.825 4.488 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)CC2=O)c1 20372373 SSXAWISEFUXXEY-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB COc1ccc(-c2csc(NC(=O)CCC(=O)c3cccs3)n2)cc1 22065180 PWPRPUOBMIJWLF-UHFFFAOYSA-N 372.471 4.482 0 40 FIAB CCc1nnc(NC(=O)c2ccccc2SCc2cscn2)s1 24927923 FQZVWEUTVUGYNQ-UHFFFAOYSA-N 362.505 4.102 0 40 FIAB O=C(Nc1ccc(OC[C@H](O)c2ccccc2F)cc1)c1ccccc1 27207255 DHZIVNVEGHJHOF-FQEVSTJZSA-N 351.377 4.190 0 40 FIAB Cc1cc(C)n(CCNC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 28228825 BZYFBIRVMAHBBD-UHFFFAOYSA-N 368.289 4.451 0 40 FIAB C[C@@]1(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)CC1(Cl)Cl 31128012 CXGFNBORPZZXGE-BZNIZROVSA-N 353.249 4.118 0 40 FIAB Cc1ccc(-n2ncc([C@H](C)NC(=O)c3ccc(N(C)C)cc3)c2C)cc1 31563182 YKWNUWIAWVZWLJ-INIZCTEOSA-N 362.477 4.046 0 40 FIAB COc1ccc(-c2nc(COc3ccc(Cl)cc3C(C)=O)no2)cc1 31639005 RXYVKZWJNIHWQT-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB CC(=O)c1ccccc1OCCSc1nc(N)c2c(C)c(C)sc2n1 32776950 IPOOZEGSHJFIDN-UHFFFAOYSA-N 373.503 4.264 0 40 FIAB Cc1c(C(=O)Nc2ccc(O)c3ccccc23)cnn1-c1ccc(F)cc1 32786735 KSCFNMZWORGLCO-UHFFFAOYSA-N 361.376 4.431 0 40 FIAB Cc1nc(NC(=O)CCc2ccsc2)sc1-c1nccn1C(F)F 32899772 GDDWGWGURVUQCF-UHFFFAOYSA-N 368.434 4.343 0 40 FIAB Cc1ccc2c(COC(=O)/C=C/c3cccc(F)c3)cc(=O)oc2c1C 33746808 DTHSNKSKVTZNLX-VQHVLOKHSA-N 352.361 4.306 0 40 FIAB CCN(CC)C(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 35291150 YYJBKHVYFZQULA-UHFFFAOYSA-N 371.481 4.184 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3ccccc3OCC)ccc21 35588066 UCHHBEGCZLNRIJ-UHFFFAOYSA-N 366.505 4.220 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-n2cccc2)ccc1Cl 36364893 YADQXIBYJCHRPB-UHFFFAOYSA-N 354.793 4.154 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)c3c(C)noc3n2)cc1 36614231 LFWPKAVPPWBSNF-UHFFFAOYSA-N 359.385 4.459 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)s1 39998576 QORSOLMVFBYMOG-SECBINFHSA-N 357.888 4.018 0 40 FIAB O=C(COc1ccccc1)NCc1cccc(COCc2ccccc2)c1 40094760 DYUZEZJBYMVUHQ-UHFFFAOYSA-N 361.441 4.099 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 44949956 IKDPKVPHEXLRRM-OAHLLOKOSA-N 367.804 4.292 0 40 FIAB c1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 49169730 LIEUWMRNOQRYGV-KRWDZBQOSA-N 358.445 4.131 0 40 FIAB biogenic,in-vitro O=C(NCc1ncc(-c2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1ccccc1Cl 51411678 LOCYRPXJUGQORX-HZPDHXFCSA-N 351.837 4.150 0 40 FIAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1 54313474 WHLQDWLOYSKGHC-UHFFFAOYSA-N 351.402 4.029 0 40 FIAB biogenic Cc1c(O)ccc2c(CSc3ncnc4ccsc34)cc(=O)oc12 58370112 ZQSFWYZAKNIBMK-UHFFFAOYSA-N 356.428 4.104 0 40 FIAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3Cl)s2)cc1C(N)=O 66440862 MGROAMGVOYQXGS-UHFFFAOYSA-N 371.849 4.123 0 40 FIAB CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCCOCc1ccccc1 69323616 FMXXGJIMQBSRPP-UHFFFAOYSA-N 368.477 4.008 0 40 FIAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1C 72333797 FZPHHBSLRACSSI-UHFFFAOYSA-N 353.462 4.074 0 40 FIAB c1ccc(-c2noc([C@H]3CCN(Cc4ccnc5ccccc45)C3)n2)cc1 72369834 FONCFMVCKPGQPT-SFHVURJKSA-N 356.429 4.274 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2C1=Cc2ccccc2O[C@H]1C 79473292 WAFJPKFCHIXXLJ-APPDUMDISA-N 371.462 4.410 0 40 FIAB Cc1ccc2cc(C(=O)NC3CCC(C(=O)OC(C)(C)C)CC3)[nH]c2c1 95455905 KSBZSPCPURLXIV-UHFFFAOYSA-N 356.466 4.107 0 40 FIAB O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cccc(-n2cccc2)c1 96013950 MANFIIOCWHNJAM-TZIWHRDSSA-N 364.420 4.267 0 40 FIAB CO[C@@](C)(CNC(=O)c1ccc2ncsc2c1)c1cccc(Cl)c1 96392493 ZWJZIGUSFOEHJR-SFHVURJKSA-N 360.866 4.241 0 40 FIAB Cc1ccc(COc2ccc(CNC[C@H]3CCN(C4CC4)C3)cc2)cc1 97287793 MHKCOHSLJVIFPA-OAQYLSRUSA-N 350.506 4.148 0 40 FIAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(F)cc(F)c1 98072731 KJJVFWZUJDFRLA-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 101276735 JWSYTIUGALOTTP-AWEZNQCLSA-N 369.635 4.391 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 219587297 BQYUUDBAUAHVBC-IBGZPJMESA-N 371.477 4.265 0 40 FIAB O=C(c1cccs1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 220690351 LSPWARIVSKBQJG-CYBMUJFWSA-N 371.437 4.032 0 40 FIAB C[C@@H](NC(=O)CCc1cccc2ccccc12)c1ccc2c(c1)OCCO2 222733539 BZMLSJZGSLDWBR-MRXNPFEDSA-N 361.441 4.421 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)CC)cc1C 223428320 OEDCJRATANVMNE-OAHLLOKOSA-N 354.450 4.174 0 40 FIAB CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(CC)c1 223685692 KOEQPIPXEBAITH-UHFFFAOYSA-N 351.493 4.170 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1cccc(C(F)(F)F)c1 224438799 FCZVSJGSYWVIOK-INIZCTEOSA-N 351.368 4.488 0 40 FIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O 224590602 LPXDLHCZNSNVEV-IAGOWNOFSA-N 367.499 4.334 0 40 FIAB O=C(CCc1nc(-c2cccc3ccccc23)no1)N1CCc2ccccc21 225830456 GDJKMRHWQUJWFE-UHFFFAOYSA-N 369.424 4.412 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cn1 225867569 FPERYWOISQUQGR-UHFFFAOYSA-N 372.440 4.087 0 40 FIAB Cc1cccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)n1 227153547 IZZXDUMDRNVDDD-UHFFFAOYSA-N 370.840 4.025 0 40 FIAB Cc1nccc(N2CC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)n1 257273305 NGBLDFTWCUONAD-HNNXBMFYSA-N 354.841 4.011 0 40 FIAB CN(C)Cc1ccnc([C@@H]2CCCN2Cc2cc3ccccc3s2)n1 257317381 VJNSMWPBCQMHRP-SFHVURJKSA-N 352.507 4.090 0 40 FIAB O=C(C1CC1)N1CCC[C@H](c2nc(-c3ccc4sccc4c3)no2)C1 329583005 QMQHDBYXQVFXLZ-HNNXBMFYSA-N 353.447 4.067 0 40 FIAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/C(C)=C/c2ccccc2)C1=O 409212057 PNDVXGRYDSUMQL-HOPBCAONSA-N 359.447 4.011 0 40 FIAB CC(C)c1csc([C@H]2CCCN([C@@H](C(=O)O)c3ccc(F)cc3)C2)n1 565485388 CWGROWMDRNPMTH-WMLDXEAASA-N 362.470 4.411 0 40 FIAB O=C(c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)Br 575361189 UBRDDEKEJHDOAR-UHFFFAOYSA-N 351.040 4.094 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)nc1)N1CC[C@H](c2ccccc2)C1 588945944 RDWRNQUPOKMTHX-KRWDZBQOSA-N 351.450 4.424 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3cc(-c4ccoc4)[nH]n3)c2)cs1 612147082 OZDQYLSEPKHRHV-UHFFFAOYSA-N 350.403 4.354 0 40 FIAB Cn1cc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)c(C2CCCCC2)n1 676219153 TXDORFSBLKPNJI-LJQANCHMSA-N 366.509 4.185 0 40 FIAB FC(F)(F)c1ccc(Cl)c(CN2CC[C@@H](Oc3ccncc3)C2)c1 1138086981 YJHBDVNXIWQSNZ-OAHLLOKOSA-N 356.775 4.407 0 40 FIAB c1ccc(-c2noc(CCc3nnc(-c4cccc5ncccc45)o3)n2)cc1 1324099096 XBMSGMUTMWTNEC-UHFFFAOYSA-N 369.384 4.120 0 40 FIAB COc1cc(Cl)c(S(=O)(=O)Oc2cc(C)ccc2C)cc1Cl 1665983307 QPEAXBXHGFAKRD-UHFFFAOYSA-N 361.246 4.387 0 40 FIAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1 639390 ZNDYNSMOYBZERD-UHFFFAOYSA-N 372.449 4.361 0 40 FIAB CC(C)CNC(=O)c1ccc(Cl)c(NC(=O)/C=C/c2ccccc2)c1 683300 PWYQKKZOPKCTNT-DHZHZOJOSA-N 356.853 4.378 0 40 FIAB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc1 706477 LQGDXFWJRJJQCZ-LJQANCHMSA-N 356.466 4.143 0 40 FIAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccco2)cc1 886621 FOBOBCBRPYUNPZ-UHFFFAOYSA-N 373.412 4.071 0 40 FIAB O=C(CSCc1ccccc1)Nc1nnc(Cc2ccccc2)s1 1061370 NPXCDEWAYAKHET-UHFFFAOYSA-N 355.488 4.001 0 40 FIAB COc1cc(NC[C@](C)(O)CN(CC(C)C)CC(C)C)c2ncccc2c1 1656136 ZJRGXNVEMVYOLI-QFIPXVFZSA-N 373.541 4.020 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1962505 ANAYEAVSYAKYDS-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)ccc1O 2069808 KJHSMIBBXAKGNF-CQSZACIVSA-N 355.434 4.120 0 40 FIAB CC1(C)c2ccccc2N2CCC(O)=N[C@]21/C=C/c1ccc2nccnc2c1 2443151 PGGWWIRJPAYPOE-BDTMADQZSA-N 370.456 4.497 0 40 FIAB Cc1ccc2c(c1)SC1=N[C@](c3ccccc3)(C(F)(F)F)NC(=O)N12 3198159 LZXZFWUIOLLEKE-MRXNPFEDSA-N 363.364 4.402 0 40 FIAB aggregator C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)N1CCc2ccccc21 3544904 HDJZVWBSYVKAMU-LLVKDONJSA-N 357.866 4.286 0 40 FIAB O=C(O)C[C@@H](NC(=O)c1ccccc1F)c1ccc(OC2CCCC2)cc1 4653997 WUYMJOMTNBSLDS-LJQANCHMSA-N 371.408 4.093 0 40 FIAB O=c1cc(O)c2sc(SCc3c(Cl)cccc3Cl)nc2[nH]1 4945722 DYAVNULONMSAKG-UHFFFAOYSA-N 359.259 4.289 0 40 FIAB Cc1cc(C(=O)CSc2nc3ncc(Cl)cc3[nH]2)c(C)n1C1CC1 5310463 UNQWVBWUBGRBII-UHFFFAOYSA-N 360.870 4.340 0 40 FIAB Cc1ccccc1-c1nnc2sc(COc3ccc(Cl)cc3)nn12 5577355 WICQNXRXZLEJLD-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB COC(=O)[C@H]1ON(c2ccccc2)[C@H]2c3ccccc3-c3ccccc3[C@@H]12 5722015 AQHABOOWVCWCMY-FSSWDIPSSA-N 357.409 4.485 0 40 FIAB CC(C)(C)c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 6123393 IEUVLMFHRLLZFI-UHFFFAOYSA-N 351.446 4.120 0 40 FIAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccs1 6219351 SMHDMTXSGJCDDJ-UHFFFAOYSA-N 351.453 4.283 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CSC2=Nc3ccccc3CS2)cc1 6588142 ASAVLOLYSXGABY-UHFFFAOYSA-N 371.487 4.251 0 40 FIAB Cc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c(Br)c1 6647195 BXAZMYUCMWBZNI-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NCc4nc5ccccc5n4C)c23)C1 7129143 AQKXNOLDEGPURJ-LBPRGKRZSA-N 363.490 4.315 0 40 FIAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(Cl)c1 7141464 SKHSMBLATDXCPG-UHFFFAOYSA-N 360.306 4.241 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)o1 7167983 IFFBUAMQIIFANX-LBPRGKRZSA-N 369.446 4.246 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCCC(N)=O)n2C2CCCC2)cc1 7201703 MLZYWRYPVKCXQL-UHFFFAOYSA-N 372.538 4.325 0 40 FIAB S=C(NCCC(c1ccccc1)c1ccccc1)NCc1ccco1 7526263 DBXBTNLPZWSERA-UHFFFAOYSA-N 350.487 4.466 0 40 FIAB CC[C@H](C)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 7654228 HNRNZFFGRFUPRF-LBPRGKRZSA-N 364.540 4.412 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 8217029 IGYDWLOIBBJWKS-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB COC(=O)c1cccc(NC(=O)CSCc2cc(C)cc(C)c2)c1C 8335586 ZGECKGOCOHQWHI-UHFFFAOYSA-N 357.475 4.270 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)cc3F)n2)cc1 8483948 XFPLFIVUBAXVFA-UHFFFAOYSA-N 374.416 4.043 0 40 FIAB Oc1cc(OCCN2CCCCC2)ccc1-c1[nH]ncc1-c1ccccc1 8743297 LXNJURHOWBPTCM-UHFFFAOYSA-N 363.461 4.314 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2nonc2-c2ccc(Cl)cc2)c1 9205188 LXTDGTKBLFWQAY-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB Cc1noc(C(C)C)c1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11198160 KHNIOPIEYPWGTM-UHFFFAOYSA-N 353.378 4.204 0 40 FIAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(F)c(Cl)c1 12444034 IAIOBQNTFWXPIO-UHFFFAOYSA-N 363.751 4.065 0 40 FIAB O=C(COc1cccc2ccccc12)N[C@H](Cc1ncc[nH]1)c1ccccc1 12548108 CXNIQMVUFPHHFM-HXUWFJFHSA-N 371.440 4.042 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 12554937 JMBWZSBKKKCKGZ-AWEZNQCLSA-N 371.868 4.214 0 40 FIAB CCc1nnc(NC(=O)c2c(-n3c(C)ccc3C)sc(C)c2C)s1 12986847 OJSPZCIKFWJCJK-UHFFFAOYSA-N 360.508 4.439 0 40 FIAB CC(=O)c1ccc(NC(=S)NCc2cccc(C(F)(F)F)c2)cc1 13577424 SERCMSAAXDSDOX-UHFFFAOYSA-N 352.381 4.395 0 40 FIAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Cl 13684291 DJEFWTUOBNJJQC-UHFFFAOYSA-N 374.868 4.052 0 40 FIAB O=C(c1cc(-c2csc(NCCc3ccccc3)n2)c[nH]1)N1CCCC1 14159301 IKDUOAMZILSKNJ-UHFFFAOYSA-N 366.490 4.029 0 40 FIAB COc1ccc2cc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)c(C)nc2c1 14241685 IZAOMSGQRKEBBG-LLVKDONJSA-N 356.372 4.321 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CCCC1 14703245 KXNMRJFSJYVDGW-UHFFFAOYSA-N 370.880 4.384 0 40 FIAB CCOC(=O)c1ccc(Nc2cc(-c3ccc(OC)cc3)nc(C)n2)cc1 15859155 VFZHAZRJITXPTI-UHFFFAOYSA-N 363.417 4.381 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 16088044 RNAMHHSTMLQRNR-SNVBAGLBSA-N 363.788 4.398 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)N1CCN(c2ccccc2Cl)CC1 17116033 ZVUNNAYTWHAHSR-KRWDZBQOSA-N 371.912 4.193 0 40 FIAB Cc1nc(-c2ccc(NC(=O)c3nn4cccnc4c3Cl)cc2)cs1 19285627 DDZDIKIBBSPMDC-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB OC1(c2cccnc2F)CCN(Cc2ccc(-c3ccc(F)cc3)o2)CC1 19293176 FXCAPWGOQAJOHU-UHFFFAOYSA-N 370.399 4.103 0 40 FIAB CCCC1N(Cc2ccc(OC)cc2)CCN1Cc1ccc(OC)cc1 19319441 BKZFCBJHCACQAF-UHFFFAOYSA-N 354.494 4.148 0 40 FIAB CCn1cc([C@@H](NC(=O)C2CCC2)c2ccc(F)cc2)c2ccncc21 19524813 WDTSCJXRTRASSD-FQEVSTJZSA-N 351.425 4.201 0 40 FIAB COc1ccccc1CCC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20716654 HPURRWINJALMLZ-UHFFFAOYSA-N 368.864 4.347 0 40 FIAB biogenic Cc1ccc(-c2oc3ccccc3c(=O)c2I)cc1 21997109 STUGIDBUPQTKLP-UHFFFAOYSA-N 362.166 4.373 0 40 FIAB COc1ccc(C(C)=O)cc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C 24761794 WIMMNUDFPRBRDK-QFIPXVFZSA-N 369.461 4.156 0 40 FIAB COc1cc(CNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)ccn1 24927382 XABJSAKZDGMJFR-FQEVSTJZSA-N 364.470 4.240 0 40 FIAB COc1ccc(F)cc1C(=O)CSc1nccn1Cc1ccccc1 26043223 ZXELQMAQODLGAK-UHFFFAOYSA-N 356.422 4.054 0 40 FIAB c1ccc(SC[C@@H]2CSc3nnc4c5ccccc5nc-4n32)cc1 27795885 UMRJBYADQNNBIK-GFCCVEGCSA-N 350.472 4.370 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc(-n2cc(Br)cn2)cc1 27917919 GWVGUHCPOIMIPT-UHFFFAOYSA-N 370.250 4.206 0 40 FIAB CC(C)[C@@H](NCC(=O)Nc1ccccc1OC(F)F)c1ccc(F)cc1 29198403 KBDSVUMZWNODFD-GOSISDBHSA-N 366.383 4.353 0 40 FIAB C[C@H](C(=O)Nc1ccccc1F)N1CCC(CCc2ccc(O)cc2)CC1 32906843 PNYSBOOYXWFJMZ-MRXNPFEDSA-N 370.468 4.203 0 40 FIAB Cc1ccc(C(C)C)c(OC(C)(C)C(=O)Nc2n[nH]c3nc(C)ccc23)c1 35316660 AAKQCPLFNJSRRW-UHFFFAOYSA-N 366.465 4.494 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2)oc1NC1CC1 35475980 RFAXMSBFFRDLQC-UHFFFAOYSA-N 374.849 4.402 0 40 FIAB O=C(NCc1cccs1)Nc1nc2c(Br)cccc2s1 36709370 PGDVASKECUHXRJ-UHFFFAOYSA-N 368.281 4.442 0 40 FIAB CC[C@@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(C)cc1 36781729 JABSIMNSPHCZAE-LJQANCHMSA-N 374.431 4.051 0 40 FIAB COc1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1OC(F)F 40061288 UEAVVPFUFJDRJI-UHFFFAOYSA-N 364.392 4.272 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)c1nc2ccccc2[nH]1 40087382 HFRIGVFHEYNZCU-LLVKDONJSA-N 366.808 4.362 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 44852652 PFEFQMOYLDSDFO-IBGZPJMESA-N 366.505 4.178 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1 46086625 BMOKMNXYHCALFV-UHFFFAOYSA-N 368.389 4.010 0 40 FIAB COc1cc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c(OC)cc1Cl 48234348 NIJMHYVCTJWCHM-SWLSCSKDSA-N 370.877 4.074 0 40 FIAB Cc1nc(N[C@H](C)C(=O)NC2CCCC2)c2c(CC(C)C)csc2n1 48333023 SOYLHNHQZWJUAD-GFCCVEGCSA-N 360.527 4.057 0 40 FIAB Cc1cc(CNC(=O)[C@H](OCC(F)(F)F)c2ccccc2)ccc1F 56390445 WRQCTUOTQBDCAZ-MRXNPFEDSA-N 355.331 4.071 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)CSc2nc3ccccc3o2)c1 58377115 QXKDBXTXROGGMU-KRWDZBQOSA-N 368.458 4.292 0 40 FIAB COc1cc(Br)cc2cc(C(=O)Nn3c(C)ccc3C)oc12 59549631 XCVBHAZBNJORMT-UHFFFAOYSA-N 363.211 4.006 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)c(OC)c1OC 71282751 WIWNHANYKDQTJC-CQSZACIVSA-N 371.437 4.148 0 40 FIAB CC[C@@H](c1ccc(F)cc1F)N1CCC[C@H](C(=O)Nc2ncccc2C)C1 72308211 TYCPLHFIRBFYMR-KXBFYZLASA-N 373.447 4.470 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1O)c1ccc(N2CCCC2)c(F)c1 72311413 NLLCULUPVTYNAJ-UHFFFAOYSA-N 368.330 4.403 0 40 FIAB CCCCCN(C)c1ccc(F)cc1CNCc1ccc(C(=O)NC)cc1 75093160 SKXXSFCOVYEWTB-UHFFFAOYSA-N 371.500 4.102 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 79071241 YWIHBPPWWDJPBA-LBPRGKRZSA-N 367.380 4.159 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1 84169262 VVVRDYDVFGREIK-KRWDZBQOSA-N 374.506 4.464 0 40 FIAB COc1cc(Cc2cc(-c3ccccc3)nnc2O)ccc1OCC(C)C 95472680 HIVNTFDVCHDZPF-UHFFFAOYSA-N 364.445 4.483 0 40 FIAB CN(C)[C@H]1CCCN(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)s2)C1 95946646 OMQCUQQUDXGSQQ-JICACKBISA-N 358.482 4.120 0 40 FIAB Cc1nc2ccccc2c(N2CCC(NC(=O)C(C)C)CC2)c1C(C)C 96006371 GRSUUFIPJQAWFY-UHFFFAOYSA-N 353.510 4.408 0 40 FIAB O=C(c1ccc(Cl)s1)N1CCC(Oc2ncccc2Cl)CC1 96096893 TVGZZHIDKDUQLQ-UHFFFAOYSA-N 357.262 4.134 0 40 FIAB Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccsc5)no4)cc3CO2)cc1 97087938 HKQUFENKBFIXDV-QGZVFWFLSA-N 364.430 4.242 0 40 FIAB COc1ccc(Cl)cc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1c(OC)cccc12 101353114 SXZLFKVEMBWECP-ORAYPTAESA-N 374.824 4.127 0 40 FIAB O=C1Nc2ccccc2N=C(c2ccccc2)/C1=C1/C(=O)Nc2ccccc21 101655666 BGLPLGQLWCNFCW-VXPUYCOJSA-N 365.392 4.165 0 40 FIAB COc1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc(OC)c1 127825688 PWAXUWJQCWBRSY-MRXNPFEDSA-N 352.434 4.225 0 40 FIAB O=C(NC1(c2ccc(F)cc2F)CCCCC1)c1cc(C2CC2)[nH]c(=O)c1 186288667 MVUXEBUPXPKBLS-UHFFFAOYSA-N 372.415 4.120 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 219514605 OPRGKJWCICIAKZ-QFBILLFUSA-N 353.462 4.489 0 40 FIAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 224138126 GDNKPMJLMLEIJB-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 224419567 NQRUXIRWJTZKFR-ROUUACIJSA-N 353.422 4.299 0 40 FIAB CC(C)Oc1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224507994 XHLQJDOAKYUQNX-QGZVFWFLSA-N 367.489 4.436 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccccc3)ccc21 225166732 DXBLPBRWTDTJDG-ZDUSSCGKSA-N 356.447 4.050 0 40 FIAB CCc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 226253185 NGVIFTCDKCEWLB-INIZCTEOSA-N 367.493 4.228 0 40 FIAB COc1ccc(-c2cc(C(=O)O)cc3cc(OC)c(OC)cc23)cc1OC 256028138 VMGBLEYQZFTHIG-UHFFFAOYSA-N 368.385 4.239 0 40 FIAB CCOc1ccc(N(Cc2c(Cl)cccc2Cl)S(C)(=O)=O)cc1 408627726 PEJRPUBWKHWWDP-UHFFFAOYSA-N 374.289 4.358 0 40 FIAB CC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 408628195 QOGHADUMFSGXEP-UHFFFAOYSA-N 367.474 4.129 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)cc1C 408707933 MSWHJEBTORLWEE-LMDPOFIKSA-N 370.537 4.377 0 40 FIAB COCCn1c(Cc2ccccc2)nnc1SCCCc1ccccc1 409088765 LWWLXZHAQMUVBL-UHFFFAOYSA-N 367.518 4.240 0 40 FIAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1C 409236911 IAMOYRVJLBIUSF-KGENOOAVSA-N 371.440 4.187 0 40 FIAB Cc1c(C(=O)N2CCCc3cc(F)cc(Cl)c32)oc2c1C(=O)CCC2 573939138 AIKFUPGWJRWCDS-UHFFFAOYSA-N 361.800 4.493 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 618255981 LUEWMRSNDVKNSD-ZFWWWQNUSA-N 373.499 4.094 0 40 FIAB COc1cc(NC(=O)N2CCC(Oc3ccccc3F)CC2)ccc1F 640033302 LWFXYDIAIZTNEV-UHFFFAOYSA-N 362.376 4.049 0 40 FIAB O=C(CCn1ccnc1)N1CCCCCCCc2ccccc2OCCC1 643584508 PAHJAZDIIRSPML-UHFFFAOYSA-N 369.509 4.078 0 40 FIAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Oc3ccccc3)cc2C1=O 726413 GROUKOLVBSOMJU-UHFFFAOYSA-N 357.365 4.015 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1 858834 RQGWSFVQUVCGBX-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)c1 929496 YDCIIJMSIDMPNW-UHFFFAOYSA-N 370.430 4.037 0 40 FIAB COc1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1OC 1047060 JUKTVQJJFRBACL-UHFFFAOYSA-N 366.295 4.319 0 40 FIAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 1088120 XGKYZBNSUHFAMQ-DAXOMENPSA-N 368.502 4.104 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)c1 1100441 DCKITPAIBFTSGF-UHFFFAOYSA-N 362.458 4.230 0 40 FIAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(C2CCCCC2)cc1 1428378 SXNAPDIDZWSXBP-UHFFFAOYSA-N 359.447 4.264 0 40 FIAB Cc1ccc(Cl)cc1NCN1C(=O)S/C(=C\c2ccccc2O)C1=O 1434894 GHBYXAPSLCOJHW-PXNMLYILSA-N 374.849 4.460 0 40 FIAB O=C(COC(=O)c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1 1962492 IGOYHYBQTQSLPH-UHFFFAOYSA-N 365.360 4.414 0 40 FIAB O=C(O)/C=C/c1cc(Br)ccc1OCc1ccccc1F 2140862 SOJFUILFWNJLKR-VMPITWQZSA-N 351.171 4.265 0 40 FIAB CSc1nc(Cl)cc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)n1 2570662 NCBKSLDMSSLAGV-UHFFFAOYSA-N 370.290 4.442 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCCOc1ccc(C(C)=O)cc1 2619541 INHSLIYNDCDJIL-UHFFFAOYSA-N 361.825 4.349 0 40 FIAB CC(C)OC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@H](C)C2 2736459 RCHCPQWQPSEPTL-LBPRGKRZSA-N 358.463 4.085 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cn3)no2)cc1 2797622 CKEFKSVWBMSCOE-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1C[C@@H]1CCCO1 2973566 JRVHLWHGUNPCGL-INIZCTEOSA-N 370.449 4.007 0 40 FIAB CC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C 3222599 DQRIBXHHSAKKOA-UHFFFAOYSA-N 358.850 4.029 0 40 FIAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(N)=O 3481122 MCUUSDNREDKHNN-CYBMUJFWSA-N 372.538 4.324 0 40 FIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2c(F)cccc2F)c1 4120317 QMQHYZFKYTVZLL-UHFFFAOYSA-N 360.429 4.327 0 40 FIAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)CSC3)c1 4223325 MJBNUTCGYZNFAS-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB CCOc1ccc(-n2ccnc(SCc3cccc(F)c3)c2=O)cc1 4853201 BRTNXJPLYQQMNL-UHFFFAOYSA-N 356.422 4.063 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)O)cs3)n2)cc1 6054178 ISTFMYYZHMRRMA-UHFFFAOYSA-N 353.325 4.021 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCOCC2)cc1 6257373 GQCZJIQMXQJQCL-UHFFFAOYSA-N 365.260 4.011 0 40 FIAB O=C([C@@H](Sc1nnc(-c2cccs2)o1)c1ccccc1)N1CCCC1 7113759 HHZBWWYSHDBLLR-HNNXBMFYSA-N 371.487 4.254 0 40 FIAB C[C@H]1C[C@@H](C)CN(Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)C1 7285438 JQYURUGRJHBQPG-OKILXGFUSA-N 353.491 4.130 0 40 FIAB CC(=O)c1ccc(Oc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 7443915 AVYNWIHNAARXST-UHFFFAOYSA-N 364.792 4.464 0 40 FIAB O=C(CSc1nccn1-c1cccc(F)c1)N1CC[C@H]2CCCC[C@H]2C1 7738160 JLXLOHCSFKRAMK-CVEARBPZSA-N 373.497 4.142 0 40 FIAB COc1ccc(CCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC 8135809 DWJMIGNGKLUVAP-UHFFFAOYSA-N 369.505 4.293 0 40 FIAB COc1ccccc1-c1nc(CSc2nnnn2C2CCCC2)cs1 8314967 KYRGXBWTHKDUPO-UHFFFAOYSA-N 373.507 4.213 0 40 FIAB CC[C@@H](C)NCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 8428736 AICVPLFFMRZOSX-MRXNPFEDSA-N 363.461 4.199 0 40 FIAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccccc2)c1 8476896 MSWAXIAQGMPMJD-UHFFFAOYSA-N 360.461 4.305 0 40 FIAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc4ccccc34)cc21 8959392 KVCOIHDAUSYHCR-UHFFFAOYSA-N 374.440 4.474 0 40 FIAB Cc1cc(-n2c(C)cc(-c3csc(NC[C@@H]4CCCO4)n3)c2C)no1 9256374 RNEABNWXKAYWKL-AWEZNQCLSA-N 358.467 4.105 0 40 FIAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCCO2 9581736 PWQBRKVTWIYVNI-UHFFFAOYSA-N 355.459 4.067 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1cnn(-c2ccccc2)c1 12864879 STNOEZKEZHYXRG-OAHLLOKOSA-N 373.412 4.090 0 40 FIAB CN(C)C(=O)c1ccc(NC(=O)c2sccc2-c2ccccc2)cc1 12912126 WTRGWDHEZGOKQJ-UHFFFAOYSA-N 350.443 4.369 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)N[C@H](C)c1ccccc1 12993430 ZEVSYNYNDNWILR-MRXNPFEDSA-N 362.477 4.109 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494930 ZQRHUGMWJAILNV-GFCCVEGCSA-N 371.824 4.280 0 40 FIAB Cc1cccc(-n2c(N)c(C(=O)NCc3ccccc3)sc2=S)c1 13547249 NTIBVNKEDXUCRK-UHFFFAOYSA-N 355.488 4.089 0 40 FIAB COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)/C=C/c1ccccc1 13646442 MGKYVSJUYMHFKO-JXMROGBWSA-N 354.793 4.260 0 40 FIAB CC(=O)Nc1nc2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 13721576 KTJDPJCBBLAJSN-JLTOFOAXSA-N 371.506 4.296 0 40 FIAB Cc1c(Cl)c(CN2C(=O)NC3(CCC(C)CC3)C2=O)nc2ccccc12 14184863 BOFIJZDEUOQVDK-UHFFFAOYSA-N 371.868 4.197 0 40 FIAB CC1CCN(Cc2csc(NC(=O)c3ccc4ccccc4n3)n2)CC1 14526824 IWCOJMHWVNCAQD-UHFFFAOYSA-N 366.490 4.176 0 40 FIAB CCOc1ccc(N2CCn3c(SCc4ccccc4C)nnc32)cc1 17307798 MGMLYGNOJYAQCZ-UHFFFAOYSA-N 366.490 4.429 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NCCSc1ccccn1 20239037 LPMIFAHDVPTLJZ-UHFFFAOYSA-N 352.912 4.126 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(Cl)cc1Cl 20457006 KMWMSVURJSLUTN-KRWDZBQOSA-N 368.260 4.476 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 20461948 XFRXPOPNZWZWKJ-GOSISDBHSA-N 357.519 4.429 0 40 FIAB O=C(Nc1cccc(O)c1)C1CN(C(c2ccccc2)c2ccccc2)C1 20745099 SUFMRZVONKUUMY-UHFFFAOYSA-N 358.441 4.052 0 40 FIAB Cc1cccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)no2)c1 21806555 BUVSQDWHEFVRSE-HNNXBMFYSA-N 351.406 4.068 0 40 FIAB CC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)c1ccccc1 22620350 WDMSZBJXFVEZBV-FGZHOGPDSA-N 366.505 4.142 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)N[C@H](Cc1ccccc1)c1ccccc1 25285270 NUPKZHYGYXJNEV-OAQYLSRUSA-N 373.452 4.448 0 40 FIAB CC(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)N1CCc2ccccc2C1 25919889 VSJPBORYEMQPGP-LJQANCHMSA-N 374.887 4.292 0 40 FIAB CC(=O)Nc1ccc(OC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 30021394 NOQDEFVIOLTWMH-UHFFFAOYSA-N 354.431 4.399 0 40 FIAB COc1cc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)c(OC)cc1Cl 32820199 BJPWHQPIROQXQP-MNOVXSKESA-N 361.825 4.494 0 40 FIAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 33047882 ZCVFVCSCINNTNP-SNVBAGLBSA-N 363.788 4.398 0 40 FIAB COC(=O)c1cc(-c2cccc(OC)c2)nc2c(-c3ccccc3)c(C)nn12 36615752 AQVDOLQVDOUGKC-UHFFFAOYSA-N 373.412 4.167 0 40 FIAB CCCSc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 39989154 NANJYRPYCKHMKJ-UHFFFAOYSA-N 365.524 4.355 0 40 FIAB CC(=O)N(C)c1nc(CSc2nc3cc(Cl)ccc3o2)cs1 52888551 LQAQJKIUUWZVGU-UHFFFAOYSA-N 353.856 4.213 0 40 FIAB COc1cc(CNCc2c(Cl)cccc2Cl)cc(OC)c1OC 58017408 FYKZQSIUJXBPEU-UHFFFAOYSA-N 356.249 4.309 0 40 FIAB CC(C)[C@H](NC(=O)NCc1ccccc1F)c1nc(-c2ccccc2)no1 58244371 SINSECUBMDHZPB-KRWDZBQOSA-N 368.412 4.072 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1 58438311 PQEFVWPSUOALNZ-NRJQMVOHSA-N 371.525 4.295 0 40 FIAB CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3n2C)C[C@H]1C(C)C 72320874 KBDAJXZXXKTACM-FHWLQOOXSA-N 353.510 4.107 0 40 FIAB biogenic,in-vitro CN(C(=O)Nc1nnc(C2CCCCC2)s1)[C@@H](CCO)c1ccccc1 75533663 XXFPQFVUBWESEK-INIZCTEOSA-N 374.510 4.173 0 40 FIAB Cc1n[nH]c2c1[C@H](c1cccc(OCc3ccccn3)c1)SCC(O)=N2 79489396 FRRLECVYFPMVCU-SFHVURJKSA-N 366.446 4.116 0 40 FIAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1cnc2ccccc2n1 83860857 DFFVBNWPRAKXDO-UHFFFAOYSA-N 361.424 4.228 0 40 FIAB CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N3CCCCC3)cn2)c1C1CC1 89749930 XILNDPLDLFYUBD-OAHLLOKOSA-N 367.497 4.369 0 40 FIAB NC(=O)c1ccc(CN2CCc3ccccc3[C@H]2Cc2ccccc2)cc1 89830418 JLPGWFBTJOAWQD-HSZRJFAPSA-N 356.469 4.128 0 40 FIAB COCCn1c(C(=O)N2CCCCC2)cc2c1c1ccccc1n2C(C)C 96146365 AJBMMGGCKIBVTF-UHFFFAOYSA-N 367.493 4.449 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1Br 96586432 ZTSDABUOMWWJFO-UHFFFAOYSA-N 360.251 4.345 0 40 FIAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1C 98211283 CEYTVPNANVYESR-UHFFFAOYSA-N 372.428 4.461 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 100541666 ZKTGJLDGVVQZAM-CQSZACIVSA-N 369.635 4.391 0 40 FIAB COc1ccc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(F)c(F)c2)C3)cc1 100766784 UXVXOUIGTMSEAE-QZTJIDSGSA-N 373.443 4.093 0 40 FIAB CCn1c(=O)c2ccccc2c2c(O)nc(-c3cccc(C(F)(F)F)c3)n21 102224260 ZOKDAVRUSDQQCY-UHFFFAOYSA-N 373.334 4.061 0 40 FIAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)C2(c1ccccc1)c1ccccc1 103130101 XZKMCCXWLAUMQG-PMACEKPBSA-N 373.839 4.446 0 40 FIAB C[C@@H]1[C@@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)CCC[C@H]1C 104660238 MJFMMCHSQSUGQZ-GJYPPUQNSA-N 354.450 4.194 0 40 FIAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222915276 KUHNEDMSMLNEDG-MOPGFXCFSA-N 356.539 4.148 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)s1 223483712 WTNQFTIEYISIIE-ROUUACIJSA-N 366.515 4.019 0 40 FIAB O=C(NCCOc1cccc2ccccc12)c1ccc(CN2CCCC2)cc1 223535300 FDYFJVZFBUAOAU-UHFFFAOYSA-N 374.484 4.244 0 40 FIAB Cc1ccc(CCC(=O)NCc2ccccc2CN2CCCC2)cc1C 224802167 LFWUMJJESROPEY-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3)o2)c1 224843328 TXMGUGQHDBASGH-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB Cc1ccc(C(=O)NCCC2=CCCCC2)c(I)c1 225015070 FFSYZQIYQYQTJX-UHFFFAOYSA-N 369.246 4.220 0 40 FIAB CC(C)(C)OC(=O)NC[C@H]1C(=O)c2ccccc2C[C@H]1c1ccccc1 225752850 ZBGDYJWKCPTUHK-RBUKOAKNSA-N 351.446 4.350 0 40 FIAB CCc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1 225828498 DFPPWUOIMZCHST-UHFFFAOYSA-N 352.463 4.094 0 40 FIAB CN(C)c1ccc(N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 226324179 DICBWMLYUBDDMC-UHFFFAOYSA-N 357.763 4.259 0 40 FIAB CCSc1ccccc1C(=O)NC[C@](O)(c1ccoc1)c1cccs1 238833051 GJJPAAHVHZJJBF-IBGZPJMESA-N 373.499 4.119 0 40 FIAB COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@]4(O)[C@@H]3CC[C@@]2(C)C1 253617590 XHSWJTDGBUQZOI-MSGBQLMNSA-N 364.526 4.092 0 40 FIAB CCCn1nccc1-c1ncccc1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 257335550 YKQCRGRRTMGTQR-QGZVFWFLSA-N 368.525 4.182 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)[C@@H](Br)CBr 382728913 SPJXYFVUUHBXLV-QMMMGPOBSA-N 359.967 4.047 0 40 FIAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2F)CC1 408707975 UFMCFUDZJSPPJQ-UHFFFAOYSA-N 354.853 4.139 0 40 FIAB CC(=O)Nc1ccc(CNC(=O)C2(c3cc(F)cc(F)c3)CCCC2)cc1 527775438 ROPFARQBQZAIOC-UHFFFAOYSA-N 372.415 4.051 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 660238 MZGPDHDKGVORTP-GOSISDBHSA-N 350.462 4.166 0 40 FIAB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)c(OCC)c1 705683 GFJQXQRQFPHDJD-LDADJPATSA-N 351.402 4.137 0 40 FIAB C[C@@H](CN1CCC(C(=O)N(C)Cc2ccccc2)CC1)c1ccccc1 785798 MKGWRVSCBAINJD-IBGZPJMESA-N 350.506 4.161 0 40 FIAB COC(=O)c1ccccc1NC(=O)CSc1cc(C)c2ccccc2n1 898574 UWISJXFYUYTRJZ-UHFFFAOYSA-N 366.442 4.061 0 40 FIAB CC(=O)O[C@]12Oc3cc(OCc4ccccc4)ccc3C(C)=C1C[C@H](C)O2 968749 SDLJMPWAFSRIAU-FPTDNZKUSA-N 366.413 4.457 0 40 FIAB biogenic O=S(=O)(c1ccc(F)cc1)N1c2ccccc2OC[C@@H]1c1ccccc1 1392389 LUIPREQGMPHXIW-LJQANCHMSA-N 369.417 4.155 0 40 FIAB CC(C)Cc1nc2oc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCC2 2324691 YPXFKUVCMSIRGC-CYBMUJFWSA-N 366.465 4.049 0 40 FIAB O=C(Cc1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 2628283 YSZVBDDDSLFLLA-INIZCTEOSA-N 352.459 4.051 0 40 FIAB Cc1cc(I)ccc1NC(=O)CCc1ccccc1 3157907 LYGJQWCBOCXOIN-UHFFFAOYSA-N 365.214 4.171 0 40 FIAB CSc1ccccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 3421048 PWFVZRUVQJKHAA-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB CCS(=O)(=O)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4304857 YPVOCJADSNCVJI-UHFFFAOYSA-N 369.273 4.185 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1 4484689 MHWLUWCEXPLFNJ-OLZOCXBDSA-N 367.474 4.030 0 40 FIAB O=c1c2c3c(sc2ncn1Cc1ccc(Cl)cc1Cl)CCC3 4487996 QMTLIJBUIDIKPB-UHFFFAOYSA-N 351.258 4.302 0 40 FIAB O=C(Oc1cccc(OC(=O)c2cccc(F)c2)c1)c1cccc(F)c1 4659220 WZJOJKHBKDAVSR-UHFFFAOYSA-N 354.308 4.403 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 4679539 PXWBYGBUOIEHHY-UHFFFAOYSA-N 361.829 4.103 0 40 FIAB CCOc1cc(Br)c(/C=C2\C(=O)Nc3ccccc32)cc1OC 4689336 CAPHWPHBXONBLI-JYRVWZFOSA-N 374.234 4.349 0 40 FIAB C[C@H](CN1CCCCC1)OC(=O)C(C)(c1ccccc1)c1ccccc1 4899236 JNEYXKOAZVGKBG-LJQANCHMSA-N 351.490 4.410 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2ccccc2n1 4964093 OBQRMBQZEQPVAY-OXFYSEKESA-N 369.461 4.396 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1C 5235147 NVBXDKIAEVXTDB-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB NC(=O)CSc1nnc(SCc2ccc(-c3ccccc3)cc2)s1 6107796 PRKIBIMFPZSHGS-UHFFFAOYSA-N 373.528 4.075 0 40 FIAB O=C(COc1ccccc1F)Nc1ccc(OCc2ccccc2)cc1 6400920 ZMXGFBBGVCUKJX-UHFFFAOYSA-N 351.377 4.422 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(F)cc1Cl 6476060 ANOBNFLSMFUSFT-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB O=C1CCCC[C@H]1Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 6510394 VWCATGQHMRFHCG-CQSZACIVSA-N 356.472 4.255 0 40 FIAB COc1ccc(F)cc1-c1csc(CC(=O)Nc2cccc(C)c2)n1 7845465 AGBRPAXOVREZQK-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB COc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 7909821 KYJCNKQQBLKUTB-INIZCTEOSA-N 367.474 4.081 0 40 FIAB CCc1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 8132348 WGVDOHRWLCAYIG-UHFFFAOYSA-N 364.445 4.235 0 40 FIAB CCOCCCNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 10165866 CHVYICAAXXXSTJ-UHFFFAOYSA-N 361.492 4.258 0 40 FIAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1COc2ccc(Cl)cc2C1 10430479 YUWDJHQVVJLEEL-HNNXBMFYSA-N 356.853 4.130 0 40 FIAB COc1cc(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)c(OC)cc1Cl 10430922 PFELUTZPEQJTIQ-KRWDZBQOSA-N 363.866 4.321 0 40 FIAB Cc1sc2nc([C@@H]3CCCN(C(=O)c4cccs4)C3)nc(O)c2c1C 12336873 DJXKHRHDHZPWSR-GFCCVEGCSA-N 373.503 4.095 0 40 FIAB Cc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(C)cc3)c2N)cc1 12415464 DKJTXLWVKAMUDA-UHFFFAOYSA-N 369.515 4.397 0 40 FIAB COc1ccc(CNc2cccc3nc(C(F)(F)F)[nH]c23)cc1OC 12476672 HXTGGIKJZAQJTD-UHFFFAOYSA-N 351.328 4.211 0 40 FIAB CCn1ncc2c(C(=O)NCc3ccccc3)cc(-c3cccs3)nc21 12617730 GVXZGZRXUSUTEU-UHFFFAOYSA-N 362.458 4.110 0 40 FIAB Cc1sc(-c2ccc(F)cc2)nc1-c1ccc(NS(C)(=O)=O)cc1 12729409 RZPRYWRRWGOWQJ-UHFFFAOYSA-N 362.451 4.296 0 40 FIAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1Cc2ccccc2O1 12773653 JNGXHRBSQYILDO-NRFANRHFSA-N 363.388 4.238 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccccc1 12922505 NOMOYFMVBOIION-ZDUSSCGKSA-N 354.431 4.393 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(C)nc2c1c(C)nn2C 12982457 DYZSHJJIMMWXIW-OAHLLOKOSA-N 350.466 4.026 0 40 FIAB COC(=O)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)cc1 13796196 WZJGFESEGVJCLS-UHFFFAOYSA-N 354.353 4.301 0 40 FIAB O=C(COc1ccc(C2SCCS2)cc1)N1CCc2ccccc21 14117632 FYEYDCGMINTBHC-UHFFFAOYSA-N 357.500 4.133 0 40 FIAB COc1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 14723061 NPWLDAXIHIQHNS-UHFFFAOYSA-N 373.493 4.049 0 40 FIAB Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(O)c1 15721315 OFODGGNVLAUUHN-UHFFFAOYSA-N 373.412 4.180 0 40 FIAB COc1ccc(-c2nc(/C=C/C(=O)NCc3ccc(C)cc3)cs2)cc1 16706941 PWFQXADZWLPBNF-FMIVXFBMSA-N 364.470 4.457 0 40 FIAB COC(=O)c1c(NC(=S)N2CCCc3ccccc32)sc(C)c1C 17074311 FVEZHAVEIYXUQH-UHFFFAOYSA-N 360.504 4.301 0 40 FIAB Cc1ccc(OCCN(C)Cc2c([C@H]3CCCO3)[nH]c3ncccc23)cc1 19211063 YKNFPKVGLIXEIN-HXUWFJFHSA-N 365.477 4.234 0 40 FIAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 19927307 UEUJKAPXHGYHGD-UHFFFAOYSA-N 374.263 4.209 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1CCCCC2 20294479 JHTDZCVRTNSFCJ-UHFFFAOYSA-N 364.449 4.057 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2F)C1 23227120 WKBYGMDMFNWUNT-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB COc1ccc(F)cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 23460072 BWMAACPQHZZBLW-UHFFFAOYSA-N 371.437 4.297 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3ccccc3)nc2O)cc1 24754830 SYJZGEMHWPXIPQ-UHFFFAOYSA-N 353.447 4.114 0 40 FIAB Cc1ccc(F)c(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)c1 28229276 QOFOLSHDKRCTCT-UHFFFAOYSA-N 369.348 4.287 0 40 FIAB O[C@@H](CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1F 31442113 GCZVUGLKBBWWME-LBPRGKRZSA-N 358.225 4.001 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)Nc3ccc4c(c3)OCCCO4)o2)cc1 32739743 ITOQAKGNMQFQDS-AWEZNQCLSA-N 351.406 4.379 0 40 FIAB CCOc1ncccc1C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 32903649 IXWVFZQUDRQRQS-UHFFFAOYSA-N 374.746 4.327 0 40 FIAB Cc1ccc(CNC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1 32933018 CYHFDRSXGRWIIO-UHFFFAOYSA-N 373.456 4.247 0 40 FIAB COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(F)cc4)nsc32)cc1 35324526 PWPFUOQYRVUVOJ-OAHLLOKOSA-N 354.406 4.432 0 40 FIAB O[C@@H](COCC(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21 35590820 FBWABKAPPFKOTG-OAQYLSRUSA-N 372.468 4.246 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 40160450 JFBFKRVQYURECG-JKSUJKDBSA-N 367.518 4.495 0 40 FIAB Cc1ccc(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1C 45890141 KNOCNFIOKUTCHN-UHFFFAOYSA-N 355.463 4.130 0 40 FIAB O=C(c1cccc(CSc2nnc(-c3ccco3)o2)c1)N1CCCCC1 54913250 GHZYQSWYHSUMCR-UHFFFAOYSA-N 369.446 4.248 0 40 FIAB CCN(Cc1ccccc1)[C@@H](c1ccc(C)cc1)c1nnnn1C(C)(C)C 57613804 VKAACGJVQMXIEB-FQEVSTJZSA-N 363.509 4.348 0 40 FIAB Cc1nccn1Cc1cccc(NC(=O)c2cc3ccccc3cc2O)c1 58310824 SNLUDDRNCRIODS-UHFFFAOYSA-N 357.413 4.351 0 40 FIAB CCc1ccc(S(=O)(=O)N(Cc2ccco2)c2cccc(F)c2)s1 58377394 VTHHRSRLMNLKNW-UHFFFAOYSA-N 365.451 4.438 0 40 FIAB Cn1c(C(=O)Nc2ccc(Oc3ncccn3)cc2)cc(Cl)c1Cl 69484606 PVOZMGFQDFYTSI-UHFFFAOYSA-N 363.204 4.167 0 40 FIAB FC(F)(F)CCc1ccnc(NCc2nc3cc(Cl)ccc3[nH]2)n1 71754366 BEVVNJASXJNPET-UHFFFAOYSA-N 355.751 4.113 0 40 FIAB CC(=O)c1ccc(N(C(=O)c2cnccn2)c2nc3ccccc3s2)cc1 71794802 NRIASNAGHNYAEA-UHFFFAOYSA-N 374.425 4.267 0 40 FIAB O=C(CC1CCCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 78413926 DXZVNZURIAPKPT-UHFFFAOYSA-N 369.431 4.156 0 40 FIAB CCCCc1nc2cc(NC(=O)[C@@H](C)Cc3c(C)nn(C)c3C)ccc2[nH]1 78877044 QHWWMLVDNUABCT-ZDUSSCGKSA-N 367.497 4.073 0 40 FIAB COc1cc(Br)c(/C=C/C(=O)O)cc1OCc1ccccc1 83312354 MPSUIZNTGIDIMB-BQYQJAHWSA-N 363.207 4.135 0 40 FIAB Cn1cccc1-c1csc(NC(=O)C2(c3ccc(F)cc3)CCC2)n1 84321876 APAFRPGHXDNAJA-UHFFFAOYSA-N 355.438 4.348 0 40 FIAB Cc1nc(-c2ccccc2F)sc1CNC(=O)c1c(F)cccc1F 85470992 GCYXFRZCFOTHNZ-UHFFFAOYSA-N 362.376 4.466 0 40 FIAB CSc1ccccc1C(=O)N1CCC(CSc2ccccn2)CC1 85557555 USZBUPNROCAKFD-UHFFFAOYSA-N 358.532 4.448 0 40 FIAB CO[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2 95364794 NSMQFKWYOAFMND-SNVBAGLBSA-N 363.866 4.095 0 40 FIAB Cc1cccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)c1 96075038 OPDPJNDPSYVYTF-RXVVDRJESA-N 367.424 4.017 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc23)cc1F 97229570 SYYVQBMWSNRBQZ-UHFFFAOYSA-N 374.315 4.095 0 40 FIAB COc1cc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)cc(OC)c1OC 102731073 ZVWDJIGNULNIEQ-KRWDZBQOSA-N 370.405 4.223 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717919 KTFQVICIOUPLFV-HNNXBMFYSA-N 356.853 4.455 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 216278095 ABXFFGXYZNZLFP-MRXNPFEDSA-N 372.896 4.019 0 40 FIAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 219683377 UWQIFNLIZZWJNG-LBPRGKRZSA-N 364.239 4.254 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 219849798 PYQDHCYVHJTLNP-UHFFFAOYSA-N 366.461 4.027 0 40 FIAB Cc1ccc(OCC(=O)NCCSCc2ccccc2Cl)c(C)c1 222823906 SLIKZWWPYJMRJQ-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223119184 OHTJFBIZCDWXNW-RTBURBONSA-N 354.523 4.208 0 40 FIAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224448858 MWOXQYPBOCLZQA-MOPGFXCFSA-N 366.465 4.219 0 40 FIAB CCc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 224620217 HKNDTGXGISIDQZ-UHFFFAOYSA-N 374.289 4.390 0 40 FIAB CCCOc1c(I)cc(C(C)(C)C)cc1C(=O)O 225284144 SUKJRZFPHGNETE-UHFFFAOYSA-N 362.207 4.076 0 40 FIAB CC(C)n1nccc1-c1cccc([C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 257220476 DKZOHGLQSPHLKW-INIZCTEOSA-N 354.498 4.278 0 40 FIAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccc(F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257249875 JKCMGEZKENGSMH-LUXPHIFBSA-N 363.473 4.003 0 40 FIAB Cc1nn(C[C@H](C)C(=O)N[C@@H]2[C@@H]3CCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 409412802 HLAXCQGDAIXBDX-MVVMWRSVSA-N 365.521 4.143 0 40 FIAB O=C(NCC[C@H](CCO)c1ccsc1)c1cccc(C(F)(F)F)c1 575605930 FIBCCIJTKJULQS-GFCCVEGCSA-N 357.397 4.053 0 40 FIAB CC[C@H](C(=O)NC[C@@H](c1ccsc1)n1nc(C)cc1C)c1ccccc1 575613332 FTXANIUVDACQJM-PMACEKPBSA-N 367.518 4.461 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 594636009 HLIMLAKIFKAHEN-XOBRGWDASA-N 364.493 4.376 0 40 FIAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N(CCF)C(=O)OC(C)(C)C)C1 2362797591 OANJGHAOQGKIEG-KGLIPLIRSA-N 360.470 4.029 0 40 FIAB O=C(CSc1nc2ccccc2nc1C(F)(F)F)Nc1ccccc1 1401717 XWCZAKNZMPNPBL-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB Cc1cccc(C)c1NC(=O)CSc1nsc2nc3ccccc3n12 1468185 FSYILPCHLGUQFC-UHFFFAOYSA-N 368.487 4.292 0 40 FIAB Nn1c(SCc2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 2181056 NNWZEUHEAONFIO-UHFFFAOYSA-N 365.483 4.131 0 40 FIAB CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccc(C(C)C)cc3)N2C1=O 2463382 TXEIIHQNBNFWGE-RDJZCZTQSA-N 372.490 4.022 0 40 FIAB COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(F)c(Cl)c3)noc1-2 2466041 VSMOTYFVBMBWBU-UHFFFAOYSA-N 372.783 4.494 0 40 FIAB CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1N1CCCC1 2568223 JUBNVWGVNWIXMB-DLBZAZTESA-N 355.309 4.472 0 40 FIAB investigational Cc1nnc(SCC(=O)c2ccc(Cl)cc2)n1Cc1ccccc1 2640659 YYXZQFMKFWILDQ-UHFFFAOYSA-N 357.866 4.263 0 40 FIAB Cc1ccc(C(=O)NCCCc2ccccc2)cc1NC(=O)c1ccco1 3326922 IUYRIHGLGCTQCO-UHFFFAOYSA-N 362.429 4.203 0 40 FIAB Cc1nc(S[C@H](C)C(=O)N2CCC(C)CC2)c2c(C)c(C)sc2n1 3332554 AFGLQYQMAJYPPD-CYBMUJFWSA-N 363.552 4.356 0 40 FIAB CCN(CC)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 3369527 XIGNAJPTCDGDJI-UHFFFAOYSA-N 373.456 4.285 0 40 FIAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NCCC1=CCCCC1 3369738 FGMYZLDGFPRBNF-UHFFFAOYSA-N 356.249 4.157 0 40 FIAB O=C(CSc1nnc(-c2ccncc2)o1)Nc1cccc2ccccc12 4279669 DLKJROXKOAXARW-UHFFFAOYSA-N 362.414 4.016 0 40 FIAB CCOc1ccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccco2)cc1 5043643 KZRZICWCOOMITB-QGZVFWFLSA-N 350.374 4.263 0 40 FIAB COc1ccc(-c2nnc(SCc3cc(C)ccc3OC)n2C)cc1 5319573 YISSTBLSTYQPIY-UHFFFAOYSA-N 355.463 4.100 0 40 FIAB CC[C@H]1C[C@H](CC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)C1(C)C 5674188 CMPJRJVSDRSSSF-RNKCIKGZSA-N 362.583 4.408 0 40 FIAB CCCSc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 5878355 JUJSNMUFSMANQI-LBPRGKRZSA-N 364.536 4.018 0 40 FIAB CCNC(=S)/C(=C(/O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 6024468 JVLLOMUIUUFBJT-UHFFFAOYSA-O 354.282 4.102 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 6046040 RZGXQAYRXMQOCR-LBPRGKRZSA-N 372.490 4.013 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)NCCc3c[nH]c4ccccc34)sc2C1 6550181 BWZWFFZJBXTCGT-GFCCVEGCSA-N 354.479 4.113 0 40 FIAB COc1cc2c(c(OC)c1)[C@@H](c1ccccc1OCC(C)C)CC(=O)N2 6820169 BDDYAARPWHYPIX-MRXNPFEDSA-N 355.434 4.213 0 40 FIAB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6960309 JJVSDGQJSRAAMX-AVYPCKFXSA-N 363.413 4.306 0 40 FIAB COc1ccc(/C=C/C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 7447528 RPABBGDAUWNCKE-SDNWHVSQSA-N 364.489 4.011 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7471239 LLDLSVMISFKGIT-UHFFFAOYSA-N 374.912 4.310 0 40 FIAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2[nH]cnc2c1 7943126 MMOUYAVRRIUZHB-UHFFFAOYSA-N 359.414 4.191 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)CCc1nc2ccccc2s1 8244341 HLFINFRJUXPYAS-UHFFFAOYSA-N 367.499 4.497 0 40 FIAB CCOc1cc(CNCCCNC)ccc1OCc1ccccc1Cl 8254686 NDCYMKBEKBFKAM-UHFFFAOYSA-N 362.901 4.017 0 40 FIAB CC(C)CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 8290723 YSAYPURSKGAGNO-UHFFFAOYSA-N 366.870 4.125 0 40 FIAB COC(=O)c1sccc1NC(=O)c1oc2ccccc2c1CSC 8944222 ICVLYSVNQVYFCX-UHFFFAOYSA-N 361.444 4.396 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2csc(C)n2)cc1 9118096 BNMCKOMJGMALPT-SFHVURJKSA-N 351.431 4.231 0 40 FIAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 9198961 RVONVTCDBDEQAV-UHFFFAOYSA-N 373.865 4.353 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccccc2C)n1C)C(=O)Nc1ccccc1 9479312 OGWMEDCSSGEAPI-QGZVFWFLSA-N 366.490 4.300 0 40 FIAB Cc1ccc(SCCCC(=O)N2CCN(c3ccccc3)CC2)cc1 10217915 GXUVBDMXMSFZPJ-UHFFFAOYSA-N 354.519 4.216 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c1 10642219 WWVMFAJAPCAGTJ-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccccc3c2C)cc1 11913964 REOZBHLBJSBYKJ-UHFFFAOYSA-N 363.373 4.442 0 40 FIAB COc1ccccc1C[C@@H](C)NC(=O)c1c(-c2cccc(C)c2)noc1C 12196866 XCFIFAJKTWUUJY-OAHLLOKOSA-N 364.445 4.328 0 40 FIAB COc1ccc([C@@H](NC(=O)CCCOc2ccc(C)cc2)C2CC2)cc1 12898758 DQNXSSUPHQFZSG-QFIPXVFZSA-N 353.462 4.430 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1 12951321 HBLMFMDYCDUQKD-UHFFFAOYSA-N 351.406 4.090 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(F)c(NC(=O)C3CC3)c2)cc1F 13019783 OFCWWIKAUGSGHK-GFCCVEGCSA-N 373.403 4.061 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccc(F)cc1Cl 13695877 IEGDXPZNJVEQEO-UHFFFAOYSA-N 358.800 4.031 0 40 FIAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14401729 OGDZMUZILREBEM-AWEZNQCLSA-N 354.450 4.349 0 40 FIAB Cc1c(Cl)c(-c2ccc3c(c2)CCN3S(C)(=O)=O)nc2ccccc12 15453975 UMFZSEHEWATPSY-UHFFFAOYSA-N 372.877 4.186 0 40 FIAB CN(C)c1cccc(-c2nnc(SCc3cccc(Cl)c3)n2C)c1 17074055 PHUVSDNBIJMZPS-UHFFFAOYSA-N 358.898 4.494 0 40 FIAB CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(C)cc1 17075765 JNWUODJLBMILOI-UHFFFAOYSA-N 369.490 4.486 0 40 FIAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19642667 RJEZDBBJBYPFBJ-WWPVKYPJSA-N 374.528 4.356 0 40 FIAB CCN(CC1CC1)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(C)=O)CC2)C1 19712400 XHQVOGNDOIDSGT-VXKWHMMOSA-N 370.537 4.020 0 40 FIAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 20062762 GBYJVQWEICJONN-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB O=C(CSCc1ccc(Br)cc1)NCc1ccc(F)cc1 20112710 ICELWAGMDCLBSS-UHFFFAOYSA-N 368.271 4.138 0 40 FIAB CCCCOc1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23128003 OPGDNEJPQFFJDV-UHFFFAOYSA-N 370.493 4.101 0 40 FIAB CCOc1ccc(OCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 23142567 MCYAQQATFSJBCP-UHFFFAOYSA-N 354.233 4.201 0 40 FIAB Cc1nnc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)s1 24022875 XRPZYWHUUCQJFK-UHFFFAOYSA-N 365.414 4.424 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 24705185 AZGVVLCCUSRPDW-UHFFFAOYSA-N 358.869 4.297 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cnnn4)cc3)cc2)cc1 25170363 CGKNRELTFSSTTE-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB CCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1 27664235 JWYPEDQKMDTUFP-LJQANCHMSA-N 372.534 4.494 0 40 FIAB COc1ccc(C(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1 27923230 DOQKLNGBNFQORS-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB O=C(Nc1cccnc1)c1ccccc1SCc1cn2ccccc2n1 28270020 QZLGRYINMWQRSY-UHFFFAOYSA-N 360.442 4.274 0 40 FIAB C[C@@H]1c2cccn2CCN1C(=O)CCc1ccc(-c2ccccc2F)o1 30262809 LBAKVQIPMFBBHO-OAHLLOKOSA-N 352.409 4.423 0 40 FIAB O[C@H](CSc1nnc2c(Cl)cc(Cl)cn12)c1ccccc1F 31442115 GCZVUGLKBBWWME-GFCCVEGCSA-N 358.225 4.001 0 40 FIAB CCOCCCNc1nc2sc(C)c(C)c2c2nc(-c3ccco3)nn12 32074895 TVRGDVCVYOWWOO-UHFFFAOYSA-N 371.466 4.054 0 40 FIAB O=S(=O)(c1ccc(-c2ncc(-c3ccccc3)o2)cc1)N1CCCCC1 32609540 FMPLXZYITGNITH-UHFFFAOYSA-N 368.458 4.183 0 40 FIAB CCc1ccccc1NC(=O)CSc1noc(-c2ccc(OC)cc2)n1 32612001 NSHPEHDYBZZLHX-UHFFFAOYSA-N 369.446 4.038 0 40 FIAB CCOc1cc(C(=O)OCc2ccc(F)c3cccnc23)ccc1OC 32913752 OWMIMOWCRFGFSJ-UHFFFAOYSA-N 355.365 4.138 0 40 FIAB CN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1ccccc1 36447054 PIIFSMMXKWSOTG-HXUWFJFHSA-N 368.527 4.420 0 40 FIAB O=C(NCc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 36705377 MZPZYMNRNUHILQ-UHFFFAOYSA-N 359.385 4.366 0 40 FIAB COc1ccc(CCNC(=O)NCC2(c3cccs3)CCCC2)cc1 38489651 FVGNWTLPVDWJRF-UHFFFAOYSA-N 358.507 4.110 0 40 FIAB CC(C)CC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40128622 OMCBLIXAWMQXFX-KRWDZBQOSA-N 373.518 4.215 0 40 FIAB Cc1cc(CN2CCC(CNC(=O)Nc3ccccc3C)CC2)c(C)o1 43972978 RTCJVGCIPVVPHQ-UHFFFAOYSA-N 355.482 4.239 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Nc2c(C)nn(C(C)C)c2C)cc1Cl 47398505 SPXIISVIUBYYEF-UHFFFAOYSA-N 363.849 4.337 0 40 FIAB CC(C)c1ccc2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1 54106004 CBMDWIKSBFCTOG-UHFFFAOYSA-N 362.473 4.239 0 40 FIAB CCOC(=O)/C=C/c1ccc(-c2ccc(OC)cc2Br)o1 57353778 RDOYOJNXLUKFFG-RMKNXTFCSA-N 351.196 4.294 0 40 FIAB O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCSCC1 58417606 ZOFSRNGANWOGSF-UHFFFAOYSA-N 353.443 4.201 0 40 FIAB CN(C)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 59372750 OKSBTXFKAFWJRO-FSNAAORZSA-N 358.532 4.155 0 40 FIAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3Cl)ccc2N1 78403941 USVYQVJQQQOLIU-VIFPVBQESA-N 357.262 4.151 0 40 FIAB CO[C@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccsc1 96097412 HKIRPYMGZGYKRS-HXUWFJFHSA-N 351.471 4.462 0 40 FIAB CC(C)(C)C(=O)Oc1cc2ncnc(Cl)c2cc1OC(=O)C(C)(C)C 96503431 TWAHMAMOOYRZDY-UHFFFAOYSA-N 364.829 4.186 0 40 FIAB COc1ccccc1/C=C/CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100763430 VKKLZTLWEHZEPN-BMAGUTBCSA-N 367.464 4.362 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102199715 KWSATXIUZKIKDW-VOAKCMCISA-N 370.276 4.091 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2nn(-c3ccccc3Cl)cc2C)cc1 154518301 GGJAVZWNDIYHFL-UHFFFAOYSA-N 368.824 4.045 0 40 FIAB Cc1c(C(=O)N2CCS[C@H](c3ccco3)CC2)cnn1-c1ccccc1 207005654 IVQAGIRZRDJGOW-IBGZPJMESA-N 367.474 4.094 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c1 216293476 MKGUCGNISDLSCW-CQSZACIVSA-N 373.474 4.300 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 219543830 HCCVBCJOJHPRAU-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1O 222660595 SDASVQUPKJLZAI-CCKFTAQKSA-N 369.490 4.165 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC(C)C 222799349 ZJDIZNQUHKCZBM-HNNXBMFYSA-N 359.297 4.035 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCCc1ccccc1OC 222964489 PFGJKIPRXVJBEV-IBGZPJMESA-N 355.478 4.218 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)c1ccc(Br)cc1 223744387 XOFPHUZSZMGNPD-UHFFFAOYSA-N 362.267 4.381 0 40 FIAB COc1ccc(C(=O)NC2CCCCC2)cc1COCc1ccccc1 224457446 COYMHGVNHFBPEB-UHFFFAOYSA-N 353.462 4.475 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1CN1CCCC1 224791509 QGGWKMGDCBGERY-JOCHJYFZSA-N 366.505 4.065 0 40 FIAB O=C(O)[C@H](Cc1cccc(Br)c1)Oc1cccc(Cl)c1 225063028 WWKOVHFUBVBNTR-AWEZNQCLSA-N 355.615 4.177 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccccc2)c1 225385344 BZDHASBRWOHOLP-UHFFFAOYSA-N 356.491 4.091 0 40 FIAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cn1 225873050 KVTKNGDKMJAOPT-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(C)cc1 226288125 UJJYZGFBIOOWOC-UHFFFAOYSA-N 372.424 4.416 0 40 FIAB Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)cc2sc(NN)nc12 226310629 IMXZJDUBCQGHHQ-UHFFFAOYSA-N 367.261 4.449 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3C[C@@H](C)C[C@H](C)C3)c(C)cc2N)cc1 226331344 HRNAIMGUFRYHIM-GJZGRUSLSA-N 367.493 4.320 0 40 FIAB Nc1ccc(NC(=O)/C=C/c2ccc(Br)cc2)c(Cl)c1 227157955 MZPQRWUXCZAERZ-FPYGCLRLSA-N 351.631 4.337 0 40 FIAB CCOc1ccccc1-c1ccc(C(=O)N(C)CCO)c(CC(C)C)c1 257214925 CNZBAOURPSEMIU-UHFFFAOYSA-N 355.478 4.015 0 40 FIAB CO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1)C1CC1 260816802 QMDOHFNVBHNKGH-VGSWGCGISA-N 374.525 4.084 0 40 FIAB COc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1 408628185 QMHITASXOVVLCD-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]12)N(CCc1ccccc1)Cc1ccncc1 666510911 SYGIUOVPJJZMHY-BHIFYINESA-N 363.505 4.272 0 40 FIAB CC[C@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 1667328320 DJTUFYMYGJRFCO-DLBZAZTESA-N 358.461 4.027 0 40 FIAB CC(C)N(C)C[C@H]1CCC2(CCN(C(=O)CC3=CCCCC3)CC2)CO1 2055835387 SWLRFENCXDTGKA-HXUWFJFHSA-N 362.558 4.005 0 40 FIAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1 664359 SBEMSOOVNZTTAD-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB Cc1ccnc(NC(=O)c2cc(Br)ccc2Br)c1 682347 BQRMECRYYMSVFL-UHFFFAOYSA-N 370.044 4.167 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 934659 FPBPJXNRCNSUBP-LBPRGKRZSA-N 364.239 4.254 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364461 KZHULJWHXMBXFO-GFCCVEGCSA-N 373.865 4.471 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 2349424 BIFAUNHNEHLLDR-UHFFFAOYSA-N 359.447 4.236 0 40 FIAB CSc1ccccc1C(=O)c1ccc(I)cc1 2392623 SUPNWODLEAVXDB-UHFFFAOYSA-N 354.212 4.244 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1OC 4250491 TUDPHQRQRBJNAM-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB Cc1ccc(-n2ncc3c(=O)n(Cc4cccc5ccccc45)cnc32)cc1 4268628 KDNFSNSCFOQZBM-UHFFFAOYSA-N 366.424 4.092 0 40 FIAB O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc2c(c1)OCO2 4597447 UBKDZASTTYJNJQ-UHFFFAOYSA-N 363.398 4.044 0 40 FIAB CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC)ccc3c2=O)cc1 5158185 GTQMAIKUESQUGC-UHFFFAOYSA-N 368.385 4.469 0 40 FIAB biogenic O=C(c1ccco1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 5265249 PBYYXNDOGIRPRQ-UHFFFAOYSA-N 371.368 4.410 0 40 FIAB CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 5698921 YIDXBWFTQDFDLB-CALCHBBNSA-N 362.256 4.237 0 40 FIAB COc1ccc(/C=C/C(=O)OCc2nc3ccccc3s2)c(OC)c1 5747382 USHQDVXWCSCWTD-CSKARUKUSA-N 355.415 4.070 0 40 FIAB O=C(COc1nncc2ccccc12)Nc1ccccc1Oc1ccccc1 5937489 GQVHFXFSAFQQPJ-UHFFFAOYSA-N 371.396 4.440 0 40 FIAB COc1ccc(OCc2nnc(S)n2-c2ccc(C)c(Cl)c2)cc1 6184741 VHNJUIGWOXEGMB-UHFFFAOYSA-N 361.854 4.105 0 40 FIAB CCCn1nc(C(=O)Nc2cccc(Cl)c2C)c2ccccc2c1=O 6204968 XKOHKSGUMROEQC-UHFFFAOYSA-N 355.825 4.021 0 40 FIAB O=C(COc1ccc(NC(=O)c2ccco2)cc1)Nc1cccc(Cl)c1 6507251 HRMXRQWTVSNOBP-UHFFFAOYSA-N 370.792 4.203 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1ccccc1 6881096 XGIXLAWFFHCCEM-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1C 7882499 LFAZASZAKPOQSL-GOSISDBHSA-N 358.441 4.448 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 8040848 TZJILKPCTXMSGO-LLVKDONJSA-N 354.233 4.086 0 40 FIAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cccnc2Cl)c1 8071847 OIJKQYQLYJKNAK-NSHDSACASA-N 363.870 4.039 0 40 FIAB Cc1nnc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)o1 8753979 RBDCMVHCJUXNJU-WFASDCNBSA-N 370.482 4.075 0 40 FIAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC=C(c2ccccc2)CC1 8756702 WZMFIRVXNCLLOY-JOCHJYFZSA-N 363.457 4.174 0 40 FIAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCc2ccccc21 9050554 KGFXHEMRJVSMPQ-UHFFFAOYSA-N 362.477 4.151 0 40 FIAB Brc1ccc([C@H]2C=C(c3ccccc3)N=C3NN=NN32)cc1 9332056 SCWQNZOAPLOQMI-OAHLLOKOSA-N 354.211 4.088 0 40 FIAB Cc1ccc(NC(=O)c2cc3c(cc2Br)OCCO3)cc1C 9668228 MCQOMWVEIXKLHY-UHFFFAOYSA-N 362.223 4.089 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)c(OC)c1 10156813 LMGJWIROFAXJAQ-OAHLLOKOSA-N 362.429 4.111 0 40 FIAB COc1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1OC(C)C 11178488 HLXKMGDZIUZZDE-UHFFFAOYSA-N 353.462 4.334 0 40 FIAB CC[C@H](NC(=O)c1cc(-c2cccs2)no1)c1c(C)nn(CC)c1C 12195472 CGTNSFNXPBIQEM-ZDUSSCGKSA-N 358.467 4.117 0 40 FIAB CCc1ccc(N2C[C@H](c3nc(-c4ccccc4Cl)no3)CC2=O)cc1 12414379 QVJMHPNZWVLHKZ-CQSZACIVSA-N 367.836 4.473 0 40 FIAB CC(C)n1c(SCC(=O)NCCCc2ccccc2)nc2ccccc21 12633744 BKQDOSZWHAZQLL-UHFFFAOYSA-N 367.518 4.458 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1c(F)cccc1F 12815950 RMYYNNQXWSMPFG-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)cc1 12939114 IRCIXRPIMIGLKH-UHFFFAOYSA-N 352.217 4.052 0 40 FIAB COc1ccc(-c2nnc3sc(COc4ccc(C)c(C)c4)nn23)cc1 13956905 ZGUKKDBKRUWTME-UHFFFAOYSA-N 366.446 4.057 0 40 FIAB CSc1ccc2c(c1)s/c(=N/C(=O)Cc1cc(C)ccc1C)n2C 13962959 IAQBOXHCSMRQIS-FMQUCBEESA-N 356.516 4.249 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)c3cc(C)n(C)c3C)o2)c1 14094850 XZOFHLXMXOOWGA-UHFFFAOYSA-N 355.463 4.284 0 40 FIAB Cc1cccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)c1 17208715 HDAPOGHJLUSXII-UHFFFAOYSA-N 372.494 4.252 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCc2cccnc2)cc1 19557494 LFULXXCPPKFVOV-SQOUVECCSA-N 364.489 4.111 0 40 FIAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2snnc2C)n1 19690587 AAUSFMUXLLALHY-SFHVURJKSA-N 364.474 4.194 0 40 FIAB CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1CCC(C)CC1 22025144 ROKICNJMIIFBQH-UHFFFAOYSA-N 351.450 4.140 0 40 FIAB COc1ccc(CCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1 23746811 YICUGWAPXANINV-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB O[C@@](c1ccc2c(c1)CCCN2)(c1nc2ccccc2s1)C(F)(F)F 24927062 SRVKAJTVJNVCBS-KRWDZBQOSA-N 364.392 4.453 0 40 FIAB C[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccccn1 24978691 XVAGXROAXCAMQK-VGSWGCGISA-N 370.456 4.266 0 40 FIAB O=C(NCc1ccccc1F)c1ccc(-c2ccc3c(c2)OCCO3)s1 25713277 DOQVLSBOZYXWPE-UHFFFAOYSA-N 369.417 4.255 0 40 FIAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)c1ccc2c(c1)CCC2 26480456 XTBPGPRVXDQESC-SNVBAGLBSA-N 352.381 4.348 0 40 FIAB CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(C(F)(F)F)cc2)s1 27927255 FDOPPGULVHVVJO-UHFFFAOYSA-N 356.369 4.242 0 40 FIAB CN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)C1CCCCCC1 29967691 WJDKZEFPNIULDU-UHFFFAOYSA-N 362.474 4.084 0 40 FIAB COc1cc2c(cc1OC)CN(Cc1ncc(-c3ccc(F)cc3)o1)CC2 30673191 SZZOMFBVPDIPTM-UHFFFAOYSA-N 368.408 4.056 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCSc2ccc(C)cc2)cc1OC 30862105 UVFPEBXQJGXZCD-HNNXBMFYSA-N 359.491 4.372 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3ccccc3Cl)n2)cc1 31848862 ITWQBSFLZPXHPH-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB CC(C)(C)C(=O)Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 31976143 CJWGCHODNAQVMP-UHFFFAOYSA-N 352.843 4.075 0 40 FIAB Clc1ccc(Cc2nc(CSc3nc4ncccn4n3)cs2)cc1 32330589 VYUZWQBDFZZGJA-UHFFFAOYSA-N 373.894 4.117 0 40 FIAB C[C@H](C(=O)NCc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 32879759 QUAGLUCJKADMGV-QGZVFWFLSA-N 361.489 4.052 0 40 FIAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccccc2)cc1 35684370 WKWCENQRRPGZCD-KRWDZBQOSA-N 360.417 4.338 0 40 FIAB O=C(COCc1ccccc1Cl)N[C@H]1CCSc2ccc(F)cc21 44371231 LKXMOKIQVDXSMZ-INIZCTEOSA-N 365.857 4.349 0 40 FIAB COc1ccc(NC(=O)Nc2cccc(Br)c2)cc1OC 51354328 CUGAJNKFGZJMOS-UHFFFAOYSA-N 351.200 4.110 0 40 FIAB COc1cccc(/C=C/C(=O)Nc2c(C)cc(C)nc2C)c1OC(F)F 58173532 DZIVPEASNYMLDA-CMDGGOBGSA-N 362.376 4.269 0 40 FIAB CCN(CC)Cc1ccccc1NCC(=O)N1c2ccccc2CC[C@H]1C 59803379 VXXPUEFIWRVCBE-GOSISDBHSA-N 365.521 4.308 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)Sc1ccc(O)cc1 69270594 IMBMRCWIKMMMHN-OAHLLOKOSA-N 367.474 4.314 0 40 FIAB C[C@]1(C(=O)O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 70915633 NANBTYVNWVGYFU-QFIPXVFZSA-N 365.429 4.122 0 40 FIAB CN(c1ncnc2sc3c(c12)CCCC3)[C@@H](CCO)c1ccccc1 76093027 WMJWLTNSMXPKJU-INIZCTEOSA-N 353.491 4.130 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CC(Oc2nc3ccccc3s2)C1 85471167 KCTMARHGJBHOKL-UHFFFAOYSA-N 359.838 4.245 0 40 FIAB O=C(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(C2CCCCC2)cc1 95389779 NLYRQKYYNCOXFN-INIZCTEOSA-N 353.466 4.220 0 40 FIAB Cc1nc(C(=O)NCc2nc3ccccc3n2C(C)C)c(C(C)C)s1 96117967 YMSKTKHTGBADJU-UHFFFAOYSA-N 356.495 4.436 0 40 FIAB Cc1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)cc1C 107968622 ISHFZLYIOHCVMY-UHFFFAOYSA-N 371.484 4.191 0 40 FIAB O=C(CCSCc1ccccc1)NCCSCc1ccccc1F 218995283 GBYPKJNGUSKESY-UHFFFAOYSA-N 363.523 4.499 0 40 FIAB Cc1cccc(-c2noc(CNC(=O)CCc3cccc4ccccc34)n2)c1 222679066 PHPLABZPOGRIIA-UHFFFAOYSA-N 371.440 4.447 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCOc1cc(C)ccc1C 224043344 SRPZQHRUXMMJBK-IBGZPJMESA-N 355.478 4.273 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cc(C)cc(C)c1 224092536 GHKUNCCQHABZKI-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CCCc1ccc(OCCNC(=O)CCCc2nc3ccccc3o2)cc1 224951764 NVXXPFFUURSFSD-UHFFFAOYSA-N 366.461 4.298 0 40 FIAB O=C(NCc1cccnc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225265596 ZNXYSUMBWBQASN-UHFFFAOYSA-N 362.820 4.208 0 40 FIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225840569 NFNXIMWIFVQFEG-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB Nc1nnc(/C=C/c2ccc(OCc3cccc(Br)c3)cc2)o1 226338806 ALVGVLXLDKVWPM-RMKNXTFCSA-N 372.222 4.164 0 40 FIAB COC(=O)C1(Cc2cccc(-c3cc(F)ccc3OC)c2)CCOCC1 257344016 ZVLIPTODRHXUBQ-UHFFFAOYSA-N 358.409 4.014 0 40 FIAB O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 528838384 FWAMXVDQUFAWDQ-PWRODBHTSA-N 371.427 4.183 0 40 FIAB CC(C)(C)c1noc(CN2CCC[C@H]2c2ccc(Br)cc2)n1 530736877 PVHPTOIDSQJZAH-AWEZNQCLSA-N 364.287 4.467 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N[C@@H](c1ccsc1)c1cccs1 575414665 IGCWZBZLEPVRQT-KQPPXVQYSA-N 361.513 4.489 0 40 FIAB CCc1cc(C2CC2)nc(NC(=O)c2occc2COc2ccccc2)n1 585083876 IKPDLDWUAISZFJ-UHFFFAOYSA-N 363.417 4.341 0 40 FIAB CCc1nc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3s2)no1 606382995 YPZIUFKWILVIDD-ZDUSSCGKSA-N 359.426 4.353 0 40 FIAB Nc1c2c(nc3c1cnn3-c1ccccc1)C[C@@H](c1ccc(F)cc1)CC2=O 618256625 KEEJCVLQQRIDRT-CQSZACIVSA-N 372.403 4.055 0 40 FIAB CC(C)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2CO)cc1 665211375 UXPSPGFABSOZTK-UHFFFAOYSA-N 358.381 4.047 0 40 FIAB O=S(=O)(NC[C@@H](c1ccsc1)c1ccco1)c1ccccc1Cl 670860059 PGBRUACMCXCRPV-ZDUSSCGKSA-N 367.879 4.105 0 40 FIAB O=C(c1cc(F)cc(N2CCOCC2)c1)N1CCC(C2CCCCC2)CC1 1616695380 SZSZNSKMHGZSIL-UHFFFAOYSA-N 374.500 4.095 0 40 FIAB O=C(Cc1cc(Cl)cc2ccccc12)Nc1cc(C2CCOCC2)[nH]n1 1630200288 LDGSYZRJJHTASR-UHFFFAOYSA-N 369.852 4.292 0 40 FIAB COc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1 818561 MMECRCKHHDKMTF-UHFFFAOYSA-N 351.431 4.030 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2Br)c1 940927 VYLRTDVQQJQRHH-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 1046443 OXFAXBRTPJXBJV-UHFFFAOYSA-N 356.466 4.426 0 40 FIAB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2)N1Nc1ccccc1 1293783 PCONPKYLWGQOEZ-HMMYKYKNSA-N 357.388 4.483 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C)cc4)no3)C2)cc1 1363514 QLNYFZHXAADKKL-IBGZPJMESA-N 361.445 4.373 0 40 FIAB O=C1C[C@H](c2ccc3c(c2)OCCO3)Oc2c(Cl)cc(Cl)cc21 1504701 RFCBXKDMPQRACQ-OAHLLOKOSA-N 351.185 4.471 0 40 FIAB biogenic Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)cc1 1640211 QCFLGNROEVZQAE-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCc1noc(C)c1C(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C 2737948 KOPRPJKPACKHDH-UHFFFAOYSA-N 350.440 4.041 0 40 FIAB CSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)Nc1ccccc1-2 3207836 PYFJHCZWCKXLHL-OAHLLOKOSA-N 356.838 4.417 0 40 FIAB CCc1cc2oc(=O)cc(CSc3nnc4ccccn34)c2cc1Cl 3420731 DWOZVXWNZGQRMR-UHFFFAOYSA-N 371.849 4.344 0 40 FIAB O=C(COc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 3606574 GKHIIYHEHCWGEP-KRWDZBQOSA-N 360.251 4.022 0 40 FIAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC(C)C)c3C)C2)cc1 4686755 LSJIRKMDLVEJMX-OAHLLOKOSA-N 355.434 4.200 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 4951890 IXCBXHMJIDYVHW-UHFFFAOYSA-N 372.471 4.204 0 40 FIAB O=C(C1=NN[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1)c1ccccc1 5004965 QXKMCRAEMKBFGP-UXHICEINSA-N 354.409 4.069 0 40 FIAB O=C(Cc1ccc(Cl)cc1)OCc1cc(Cl)cc2c1OCOC2 5613495 FOZWTHHBSOMMDY-UHFFFAOYSA-N 353.201 4.146 0 40 FIAB Cc1cc(NC(=O)Cn2c(C)nc3ccccc32)ccc1Br 5627898 ZAWGDAXONUOLSI-UHFFFAOYSA-N 358.239 4.054 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)C1=NN(c2ccccc2)C(=O)CC1 6344417 NCNKWNWFYKWDBL-UHFFFAOYSA-N 362.216 4.115 0 40 FIAB CCCCc1ccc(NC(=S)N2CCN(c3ccccc3O)CC2)cc1 6390508 IBHAXNOPTRMTHT-UHFFFAOYSA-N 369.534 4.254 0 40 FIAB COc1ccc(Br)cc1/C=C1\N=C(c2ccccc2C)OC1=O 6646502 GWKDALQAAABWMD-GDNBJRDFSA-N 372.218 4.111 0 40 FIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C)cc1 6752967 LPNNQWLNJYQDFX-OAQYLSRUSA-N 361.445 4.436 0 40 FIAB Cn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccccc1F 7217160 NZMNJYZWTFMQIQ-UHFFFAOYSA-N 373.438 4.025 0 40 FIAB COc1ccc2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1 7279574 MSWXLOCLIPKOBE-UHFFFAOYSA-N 368.385 4.093 0 40 FIAB Cc1cccc(C)c1OC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7929101 TYTJFWJTNDKTAX-GOSISDBHSA-N 359.425 4.415 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 7986429 CAKNYVRJQGMXSM-NSHDSACASA-N 353.447 4.484 0 40 FIAB COc1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1OC 8110182 XTUCVDQLTYBJLD-UHFFFAOYSA-N 365.882 4.156 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)N2CCN(c3ccccc3O)CC2)CC1 8190429 NOQGPERFUGNQGD-UHFFFAOYSA-N 373.541 4.219 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)c1 8355059 UTGUWGXUVDUZDK-LLVKDONJSA-N 368.260 4.431 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(Cl)cc2)n1 8476831 JCKFURDBTLCGSN-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(F)cc1 9698922 JEQLZJMVWWIGOX-UHFFFAOYSA-N 357.454 4.329 0 40 FIAB Cc1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)c2cnn(C(C)C)c2n1 10965300 JPNLHXKBRKPMDW-CYBMUJFWSA-N 356.857 4.465 0 40 FIAB c1ccc2cc(Cn3c(CN4CCOCC4)nc4ccccc43)ccc2c1 12360501 WEYGPFYYDKIPQK-UHFFFAOYSA-N 357.457 4.070 0 40 FIAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1 12523127 KDRJXRYUOUSMCD-KRWDZBQOSA-N 368.477 4.054 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(OC(F)(F)F)cc1 12540000 PBWQPVBWTAZASQ-LBPRGKRZSA-N 368.355 4.423 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 12810409 DASCLEYRPFRLOR-UHFFFAOYSA-N 360.866 4.441 0 40 FIAB O=C(OCc1coc(-c2cccs2)n1)c1cccnc1SC(F)F 12811957 IUSATHHHXAWZRP-UHFFFAOYSA-N 368.386 4.470 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3c(C)cc(C)c(C)c3[nH]2)cc1 12846636 BSEGESAQYUXHHW-UHFFFAOYSA-N 363.461 4.112 0 40 FIAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(CCc4ccccc4)C3)cc2n1 13225694 ZKZQZOZGAXPXJH-MRXNPFEDSA-N 374.410 4.089 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)c3c(F)cccc3Cl)c2C(N)=O)C1 14182959 AYZIMORXPBRDED-QMMMGPOBSA-N 366.845 4.017 0 40 FIAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 14219030 RADLMTOQHFNMKV-GFCCVEGCSA-N 368.296 4.051 0 40 FIAB COc1cc(NC(=O)c2ccccc2OC(F)F)c(OC)cc1Cl 15970241 CDNSDYCOAQGCFE-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB CCCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 20033832 HVYBEYLHOFVDAZ-UHFFFAOYSA-N 353.447 4.479 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSc3ccccc3)cc2)C1 20034851 CCZSLZUMUNPROE-SFHVURJKSA-N 368.546 4.441 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 20451516 ZYMLVOFWEXMJSZ-LAUBAEHRSA-N 371.477 4.053 0 40 FIAB COc1cccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 20453034 RWMWASXJVUNSRH-SFHVURJKSA-N 355.478 4.137 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1OC 20458578 IXUGBMCXOZMFOV-ZIAGYGMSSA-N 357.475 4.162 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(F)cc1 20459525 RKCBZUGRSWRJPT-LJQANCHMSA-N 359.441 4.131 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(C)cc2C)c(OC)c1OC 20486081 HAOIAGOAQQBIOV-ONOODXEBSA-N 369.461 4.220 0 40 FIAB Cc1cc(C(=O)NCCc2ccccc2)c2c(C)nn(-c3ccccc3)c2n1 20578942 NMIODKIRIPRDSA-UHFFFAOYSA-N 370.456 4.010 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)C[C@H](NC(C)=O)c1cccs1 22278952 BASVCZACSLHEBW-YJBOKZPZSA-N 358.507 4.143 0 40 FIAB Clc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 22857474 PBFSFXZADYQMSV-UHFFFAOYSA-N 372.904 4.249 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3cccc(C(C)=O)c3)c2C1 23881577 AIQDVCLURLPEPZ-UHFFFAOYSA-N 373.456 4.068 0 40 FIAB Cc1nc(NC(=O)c2cccnc2SCc2c(C)noc2C)sc1C 24238418 AWPVFJNYVGOHOM-UHFFFAOYSA-N 374.491 4.304 0 40 FIAB CCOCc1ccc(CNC(=O)N(C)[C@H](C)c2ccccc2OC)cc1 27371561 ZAAWBOLPIQWRQO-MRXNPFEDSA-N 356.466 4.134 0 40 FIAB CC1CCC(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 27624098 PRNZHQTZBGSILI-JITJBCMDSA-N 364.489 4.243 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1 27970527 WVAMBLWBJRYWDP-UHFFFAOYSA-N 362.458 4.410 0 40 FIAB CCn1nc(C)c2c(C(=O)Nc3ccccc3C(F)(F)F)cc(C)nc21 28239748 GEXVEPBZTPZPSF-UHFFFAOYSA-N 362.355 4.339 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)N3CCC[C@@H]3c3cccs3)c(C)n2n1 29797236 IXDXNTUGXFBXBH-QGZVFWFLSA-N 368.506 4.012 0 40 FIAB CN(C)c1ncccc1C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 31715733 YNZUXOUWAQQFIM-UHFFFAOYSA-N 372.881 4.101 0 40 FIAB C[C@H](Sc1nncn1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 32869314 LRUXHUSFYWWHPP-IVKJLDKCSA-N 371.506 4.186 0 40 FIAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CC=C(c2ccc(O)cc2)CC1 32907872 RLXNRXHLVFBQTG-MRXNPFEDSA-N 373.456 4.057 0 40 FIAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1 32930591 BDAXABSGWVYAMG-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 33134256 RSOURNZEVBEKSP-LRDDRELGSA-N 367.276 4.279 0 40 FIAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCc3ccccc3C1)C2 35075048 ZDEGWONPYAWLCN-SRUXOGRHSA-N 357.538 4.027 0 40 FIAB C[C@H](c1nc(-c2ccccc2)no1)N1CCO[C@H](c2ccc(F)cc2)C1 46059489 BQSXSAUMFVHXPS-KDOFPFPSSA-N 353.397 4.010 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 47209534 XYQHZKSRVLUTES-HNNXBMFYSA-N 354.450 4.483 0 40 FIAB O=C(c1ccc(OCc2ccncc2)cc1)N1CCC[C@H](C(F)(F)F)C1 48332681 HNFJYMQIOJTXFW-INIZCTEOSA-N 364.367 4.075 0 40 FIAB Cc1c(C(=O)NCCSc2ccc(Cl)cc2)oc2c1C(=O)CCC2 48344284 QOCLPOMBIVLQQA-UHFFFAOYSA-N 363.866 4.283 0 40 FIAB O=C(CSc1nncs1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 53452364 CXEHLCRRHJDTFC-GFCCVEGCSA-N 374.318 4.301 0 40 FIAB CC(C)N(Cc1ccccn1)C(=O)c1cccc(OCc2cccnc2)c1 55739550 RXQQZWLZGVIWMN-UHFFFAOYSA-N 361.445 4.106 0 40 FIAB C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1nnc2ccccn12 58078425 DYPLMSACERVKIK-LBPRGKRZSA-N 366.421 4.088 0 40 FIAB COc1ccc(NC(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 58174206 UITBCDYFNKXURB-UHFFFAOYSA-N 367.474 4.491 0 40 FIAB CCN(C(=O)N[C@H](C(=O)N1CCC(C)CC1)c1ccccc1)[C@H](C)C(C)C 58174926 JMYOZXKNWUJAEO-QUCCMNQESA-N 373.541 4.062 0 40 FIAB Cc1nnc(SCc2c(C(=O)N3CCCC3)oc3ccccc23)s1 58194339 DGOYGEPDPCZUQR-UHFFFAOYSA-N 359.476 4.121 0 40 FIAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccccc2)CN1c1cccc(Cl)c1 70036981 KTUWBWUNVMHASP-APWZRJJASA-N 368.864 4.057 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2ccc(C(=O)O)cc2)S1 71285609 KUJHIQCSMKNAKM-OAHLLOKOSA-N 357.435 4.288 0 40 FIAB O=C(N1CCC2(CC1)CC2)C1(c2cccc(C(F)(F)F)c2)CCOCC1 71890410 LTBLFRVCZMPAKK-UHFFFAOYSA-N 367.411 4.156 0 40 FIAB C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 78827042 ALAUWBUHUYGSTE-QMMMGPOBSA-N 363.266 4.209 0 40 FIAB CN(CC1CCN(c2ccncc2)CC1)[C@@H]1CCc2c(F)cc(F)cc21 95452700 UXGALQLVPUFPIP-OAQYLSRUSA-N 357.448 4.196 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCC[C@H]1c1ccc[nH]1 96998132 KVLVYOOKMPLZKB-AWEZNQCLSA-N 369.446 4.207 0 40 FIAB CCCCCCC(=O)Oc1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O 102066677 WVTUIEPYZBDKPE-IYBDPMFKSA-N 357.450 4.242 0 40 FIAB Cc1cccnc1CNC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1 105288079 XZKQKHQCVCVYJK-UHFFFAOYSA-N 362.477 4.269 0 40 FIAB O=Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12 199814111 QGPLOGVSUTZILG-UHFFFAOYSA-N 358.191 4.401 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1OCC 219525308 IPISDGMCUGKATF-QGZVFWFLSA-N 371.477 4.185 0 40 FIAB COC(=O)c1cn(C(=O)COc2ccccc2C(C)(C)C)c2ccccc12 222642234 HFHWPHNSOUYLSP-UHFFFAOYSA-N 365.429 4.445 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCN2CCC[C@@H](C)C2)c1 223339303 ZSRULTRFQGDXPX-RTBURBONSA-N 360.542 4.124 0 40 FIAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 224351848 QYWLPCDPVZTKBI-UXHICEINSA-N 362.502 4.160 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OC)c(C)c1 225218904 WELRLQDESYTJAD-KRWDZBQOSA-N 355.434 4.044 0 40 FIAB COc1ccc(/C=C/C(=O)N2CCS/C2=C/c2csc(C)n2)cc1 225258090 FZTBTFUBMIBKLI-OKSYWBHRSA-N 358.488 4.047 0 40 FIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1Cl 225459418 RPINVOGHPAKXPQ-UHFFFAOYSA-N 352.818 4.465 0 40 FIAB CCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccccc3)CC1)O2 225817844 YVTGYAHZCUSKRI-UHFFFAOYSA-N 364.445 4.281 0 40 FIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225840316 AOSXDNJARYBKFZ-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB COc1cc(OC)cc(-c2nc3cc(OC)cc(Br)c3[nH]2)c1 226343497 LGMUHFJTSUMLEQ-UHFFFAOYSA-N 363.211 4.018 0 40 FIAB CC(=O)N[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 254379776 XAPSNYLSUGRKQO-CXJHFUFTSA-N 373.537 4.386 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC)cc4)OCC[C@@]31C2 257308279 TWDJYWHMACYPJP-XSGQZRFPSA-N 357.494 4.104 0 40 FIAB COCCC(=O)N[C@@H]1C[C@H](c2ccc(F)cc2Cl)O[C@@H]2CCCC[C@@H]12 257317361 VJLWFXABYAOHEF-DZOHQFGASA-N 369.864 4.021 0 40 FIAB COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)cc1 257319664 VTNJFKNGOVXIIQ-JKYPXTOWSA-N 371.521 4.350 0 40 FIAB CCN1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)CC1 516802139 PGHWDPKMGXUVRO-UHFFFAOYSA-N 362.945 4.390 0 40 FIAB CCn1c([C@H]2CCCN2CCc2ccccc2C(=O)O)nc2ccccc21 521633460 BSROPNXGPLTOIM-HXUWFJFHSA-N 363.461 4.134 0 40 FIAB C[C@H](N[C@@H]1C[C@H](N)c2ccccc21)[C@@H](OC1CCOCC1)c1ccccc1 569211726 BQRFQWFUZOYPIR-SVCSISOJSA-N 366.505 4.046 0 40 FIAB CC(C)c1csc([C@@H]2CCCN([C@@H](C(=O)O)c3ccsc3)C2)n1 582850694 CJGLRLPKGONJEN-IUODEOHRSA-N 350.509 4.333 0 40 FIAB O=C(c1ccc2c(O)ncnc2c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 640130483 FESRZKBROZHZKZ-QFUCXCTJSA-N 373.456 4.134 0 40 FIAB Cc1ccc(CNC2CCN(c3nccs3)CC2)c(OCC(C)C)c1 1614997914 KVNQGHZBRCWMNP-UHFFFAOYSA-N 359.539 4.245 0 40 FIAB O=C(Nc1ccccc1Cl)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1775974277 VYZZDAHAYYMVRH-UHFFFAOYSA-N 371.746 4.049 0 40 FIAB CSCc1nnc2sc(Cc3ccc(-c4ccccc4)cc3)nn12 1776111103 ZMANQKXPYYGDRB-UHFFFAOYSA-N 352.488 4.307 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 870871 YSFLUCDNUBZFDN-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3C)n2)c1 912296 DWVYURQNJIEHMH-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(F)cc1 1651376 HUDWVBGXXJRCNV-UHFFFAOYSA-N 365.286 4.098 0 40 FIAB in-vitro CC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(cc4C1=O)CCC5)C3)CCC2 1855431 SZWHEJDJJIBIPK-RUZDIDTESA-N 356.465 4.391 0 40 FIAB CCOC(=O)c1ccc(C(=O)CCc2ccc(Br)cc2)cc1 2516756 IDFLSRJQYOUNKK-UHFFFAOYSA-N 361.235 4.441 0 40 FIAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccc(F)cc1 2620579 OWIVMUWZZJFNKC-UHFFFAOYSA-N 366.179 4.093 0 40 FIAB Cc1ccccc1NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2649247 XQJDOPWZFWSXPZ-INIZCTEOSA-N 372.730 4.457 0 40 FIAB CCCOc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC 2796119 SWHVRLFJDILARQ-WJDWOHSUSA-N 371.820 4.482 0 40 FIAB OCCCNc1nc(CSc2ccccc2)nc2sc3c(c12)CCC3 3344112 ROVBWRPBVRDJPQ-UHFFFAOYSA-N 371.531 4.267 0 40 FIAB Cc1ccc2c(COC(=O)c3ccccc3Br)cc(=O)oc2c1 3510566 RZSXZYQNUJBHOZ-UHFFFAOYSA-N 373.202 4.221 0 40 FIAB COc1cc(C(=O)Nc2ccc(C)cc2)ccc1OCc1c(C)noc1C 3547949 XKXKIISNDXKPEX-UHFFFAOYSA-N 366.417 4.440 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1ccccc1C(=O)O 3885969 GZPWQYNLYYAAGZ-IJEWVQPXSA-N 350.480 4.481 0 40 FIAB in-vitro COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3cc(F)ccc3[nH]1)CC2 4085460 AJPPDIXNJVFFKZ-LBPRGKRZSA-N 368.408 4.084 0 40 FIAB biogenic O=C(Nc1nnc(-c2ccncc2)o1)c1cccc(Oc2ccccc2)c1 4265071 DOQRZBLBLKTJQN-UHFFFAOYSA-N 358.357 4.176 0 40 FIAB O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 4854400 YWZPFZIOUJKENB-LJQANCHMSA-N 359.420 4.214 0 40 FIAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1c(F)cccc1F 5478581 JCAYNMYPULAUGR-UHFFFAOYSA-N 371.368 4.385 0 40 FIAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1O 5986271 IXIQXCCPVRCVLF-SNVBAGLBSA-N 368.216 4.191 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 6182835 RMFVCOCCPINQGL-AWEZNQCLSA-N 354.450 4.349 0 40 FIAB COc1cc(C(=O)Nc2ccc(OC(F)F)cc2)cc(Cl)c1OC 6328831 DQVKHUAJRVVPPE-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1Cl 6355428 CQIMSZIOBVTHJS-UHFFFAOYSA-N 373.796 4.091 0 40 FIAB CC(C)Sc1nc2sc3c(c2c(=O)n1C[C@@H]1CCCO1)CCCC3 6598742 YJAPSMNXNBFKSP-LBPRGKRZSA-N 364.536 4.016 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc3ncsc3c2)c(Cl)c1 6627671 REXQPKYNBQQBGD-UHFFFAOYSA-N 374.849 4.362 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)cc2)c(C)c1 6714719 NXSAHFLXQYSFMN-UHFFFAOYSA-N 353.491 4.030 0 40 FIAB CC(C)c1ccc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1 6859729 CVUIRZLHDHITAO-HXUWFJFHSA-N 354.475 4.155 0 40 FIAB CCN1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 6953419 RGPFHRGVPFTYOH-UHFFFAOYSA-N 374.937 4.410 0 40 FIAB O=C(CCc1cccs1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7399126 ORTKBTBVCAQICT-UHFFFAOYSA-N 366.490 4.304 0 40 FIAB CCn1cnnc1SCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 7868512 LKJTYSNCVDMYBG-GOSISDBHSA-N 371.437 4.337 0 40 FIAB COc1ccc([C@H](CNc2nccc(OC)n2)c2c[nH]c3ccccc23)cc1 8186306 YINWZCZQIBCRKB-SFHVURJKSA-N 374.444 4.219 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1 8483980 VVNXRKXNMBLABT-UHFFFAOYSA-N 372.881 4.418 0 40 FIAB CSc1cccc(NC(=O)[C@H](NC(=O)Nc2ccccc2)C(C)C)c1 8723852 LEVKAQXYBORPHC-QGZVFWFLSA-N 357.479 4.193 0 40 FIAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccc2ccccc2c1 8862622 BUBTWENTEQSRDV-HXUWFJFHSA-N 350.487 4.468 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NCCSC2CCCCC2)CC1 9062917 PMBHMCOIZCSMJJ-UHFFFAOYSA-N 374.594 4.389 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 9154593 BIUMUQBJWCGLSK-QGZVFWFLSA-N 374.893 4.194 0 40 FIAB Fc1ccc(CN(Cc2nnnn2-c2ccccc2)C2CCCCC2)cc1 9594157 BHHGOZJLQIJZIQ-UHFFFAOYSA-N 365.456 4.136 0 40 FIAB CCc1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)sc1C 10656375 LVAYHZIFVVXHAH-KRWDZBQOSA-N 357.454 4.011 0 40 FIAB COc1ccc(C)cc1NCC(=O)N[C@H](c1ccccc1)c1cccs1 11162322 GZVSWALKCYHAGY-OAQYLSRUSA-N 366.486 4.383 0 40 FIAB COc1ccccc1C1(O)CCN(Cc2[nH]c3ccc(F)cc3c2C)CC1 12293061 KXXDOFFILPBDTH-UHFFFAOYSA-N 368.452 4.108 0 40 FIAB O=C(c1cc(O)nc2ccccc12)N(Cc1ccccc1)c1ccccn1 12515956 JJMOUXYWZKLNSJ-UHFFFAOYSA-N 355.397 4.182 0 40 FIAB COc1cccc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)c1OC 12822267 ZZNLUAZKZPNSAK-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(C(F)(F)F)c1 12911747 LWQRLKNRIACDJG-UHFFFAOYSA-N 373.378 4.222 0 40 FIAB O=C(CSCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1 12919439 LXBZTGLOMCQZJI-UHFFFAOYSA-N 365.867 4.323 0 40 FIAB O=C(N[C@@H](C(=O)NC1CCCCCC1)c1ccccc1)c1cccs1 12947255 OCAARXOTNQHGQC-GOSISDBHSA-N 356.491 4.058 0 40 FIAB CCCCc1ccc([C@@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12971301 GLGILRWBXQGNET-LJQANCHMSA-N 364.478 4.125 0 40 FIAB COc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 12998720 LRYGHLUOMFYQMO-HNNXBMFYSA-N 352.459 4.325 0 40 FIAB Cc1nc2ccccc2nc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 13003934 ZHVRUJWHGLYVQE-UHFFFAOYSA-N 368.849 4.120 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)N[C@@H]3CCc4ccccc43)c(=O)oc2c1 14111053 YQMPKNZUCPWATD-HXUWFJFHSA-N 361.441 4.146 0 40 FIAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccc(Oc2ccccc2)cc1 14165494 SUBUPBMJZQHZFD-LJQANCHMSA-N 374.396 4.207 0 40 FIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(SC)cc1 16751705 WJWRSORPYAALGJ-SFHVURJKSA-N 365.454 4.470 0 40 FIAB CCC(=O)N1N=C(c2ccc(CC)cc2)Sc2c1nc(C)n2C(=O)CC 16777120 SCBJQILQUCXLNA-UHFFFAOYSA-N 370.478 4.015 0 40 FIAB COc1cc2cc(C3CCN(Cc4cnc(C)nc4)CC3)ncc2cc1C 19127191 JHOWCRWUTUGFPJ-UHFFFAOYSA-N 362.477 4.030 0 40 FIAB CN1CC[C@@H](CN(C)Cc2ccc(C3=CC(C)(C)NC(C)(C)C3)s2)C1 19460841 FDLPYMZCFDMIMY-MRXNPFEDSA-N 361.599 4.066 0 40 FIAB COc1ccccc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20141179 SOQLBKJBUVVPGE-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)o2)cc1 20197090 PIWDIJQVRBEHJK-UHFFFAOYSA-N 367.474 4.262 0 40 FIAB COc1ccccc1Cn1c(-c2ccccc2F)nc2ccccc2c1=O 20799336 CSFKVEKVQRLSIN-UHFFFAOYSA-N 360.388 4.260 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(F)c1 21577122 XPWFGJIJQRUGCZ-UHFFFAOYSA-N 371.481 4.251 0 40 FIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1 27822949 MYPWPMKGBWMMAX-UHFFFAOYSA-N 371.886 4.289 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1cccnc1Oc1ccccc1 32832633 ZHSLHRNNHFEUIE-UHFFFAOYSA-N 364.401 4.290 0 40 FIAB CNC(=O)Nc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)cc1 32903297 GAXQQPAIMFVZCO-QGZVFWFLSA-N 359.857 4.470 0 40 FIAB CSc1ccccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)C(C)C)cc1 33040049 MOZXWDOBCBWEIS-AWEZNQCLSA-N 371.506 4.442 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccc2C)cc1Cl 36620542 VYDJIGJDLXXPGP-QGZVFWFLSA-N 365.882 4.183 0 40 FIAB Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)c(C)n1-c1nccs1 36837684 MPPUUDOPGKYAMQ-UHFFFAOYSA-N 366.490 4.403 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCCOc3ccc(Cl)cc3)no2)cc1 41157549 DXVGEKXEBXAUBU-UHFFFAOYSA-N 356.809 4.112 0 40 FIAB COc1ccccc1CNC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44839187 BXBPGFGJENDXGW-UHFFFAOYSA-N 357.413 4.169 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(NC(=O)CC)cc2)cc1 53663172 QQGHGCZWLOOHOL-UHFFFAOYSA-N 368.433 4.035 0 40 FIAB Cc1cc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)on1 57003973 PCUIXXVDBLAUNR-UHFFFAOYSA-N 354.316 4.057 0 40 FIAB CN(Cc1c(F)cccc1Cl)Cn1nc(-c2cccnc2)oc1=S 57270836 YTBXUKWEFSTEBL-UHFFFAOYSA-N 364.833 4.150 0 40 FIAB O=C(Nc1ccc(NC2CCCCC2)cc1)[C@H]1COc2ccccc2O1 58157872 RNBJKLDJGJRJMW-HXUWFJFHSA-N 352.434 4.210 0 40 FIAB CCCCn1c(S(=O)(=O)Cc2c(F)cccc2Cl)nc(C)c1C 63870704 FIIOTZYLBGYGRQ-UHFFFAOYSA-N 358.866 4.066 0 40 FIAB Cc1cc(C)c(C(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(C)c1 67206327 UZXWPHUDBUCSLP-UHFFFAOYSA-N 356.897 4.270 0 40 FIAB COc1ccccc1Cc1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 72348865 KHSVZKCQHZSGFO-NRFANRHFSA-N 373.500 4.456 0 40 FIAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 72353824 GPJQVKFXXBEQLU-LJQANCHMSA-N 354.469 4.482 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(C=O)cc2)C1 72360816 SCNRUQWXJBLDPD-MRXNPFEDSA-N 355.438 4.004 0 40 FIAB Cc1cnn(C2CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c1 84265042 SPPGSXQZJHTULP-UHFFFAOYSA-N 367.478 4.184 0 40 FIAB CCOc1cc(CN[C@@H](CN(C)C)c2ccccc2)cc(Cl)c1OC 96971434 GITJIQDMVLTHPX-SFHVURJKSA-N 362.901 4.140 0 40 FIAB COc1cc(CC(=O)Nc2ccccc2NC(C)(C)C)cc(OC)c1OC 97117371 YVGNRWJYYMLNHJ-UHFFFAOYSA-N 372.465 4.104 0 40 FIAB CN(Cc1cc(Br)ccc1OC(F)F)C[C@@H]1CCCCO1 97493169 VWLCESDEJWMWIM-ZDUSSCGKSA-N 364.230 4.051 0 40 FIAB CC(=O)c1ccc(C(=O)/N=c2/sc3ccc4ccccc4c3n2C)cc1 100844434 ZIOOPBLWRCOINN-QURGRASLSA-N 360.438 4.337 0 40 FIAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccc(F)cc1 102376352 AQOIBNYHVFERDE-NYYJTOMGSA-N 350.817 4.129 0 40 FIAB Cc1cc(NC(=O)c2ccc(-c3ccccc3Cl)o2)ccc1C(N)=O 103409484 DIFRXZFLJOJROB-UHFFFAOYSA-N 354.793 4.260 0 40 FIAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718850 CRZMMTOVZNFSEN-AWEZNQCLSA-N 372.852 4.039 0 40 FIAB CC1(C)C[C@H](c2nn3c(-c4cc(Cl)ccc4F)nnc3s2)CCO1 107602362 SPFCLVURBNOVII-SECBINFHSA-N 366.849 4.318 0 40 FIAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)c1ccc(Cl)s1 211090659 JNPZJONUMATIHC-MRXNPFEDSA-N 363.891 4.475 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(F)cc1 219023661 QTWPIBPRKVBBQM-MRXNPFEDSA-N 351.421 4.495 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2OC(C)C)CC1 219735080 QOWPBOSZBGDFGM-UHFFFAOYSA-N 372.896 4.398 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224356380 QDBSIQNGALPLDK-OAHLLOKOSA-N 367.445 4.148 0 40 FIAB O=C(COc1cccc2c1CCCC2)Nc1ccc(N2CCCC2)cc1 224936467 ZHLNZTDITGONLM-UHFFFAOYSA-N 350.462 4.183 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 225149584 YVDSGZFYVJOIBL-UHFFFAOYSA-N 360.866 4.479 0 40 FIAB Cc1ccc(NC(=S)NCCCc2ccccc2)cc1N1CCCC1=O 225385962 ZBHXYXPBFVELGX-UHFFFAOYSA-N 367.518 4.041 0 40 FIAB CCO[C@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1)C1CC1 225723573 QGCZSMREDLHKSB-JTSKRJEESA-N 374.525 4.084 0 40 FIAB Cc1ncsc1C(=O)N1CCC(Cc2cnc3ccccc3c2)CC1 257217453 CZAKGTHCIIJVGP-UHFFFAOYSA-N 351.475 4.095 0 40 FIAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408657605 INZOMZBRDHRTJU-OAHLLOKOSA-N 369.436 4.472 0 40 FIAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(F)cc2)S1 408799105 GUPVRBWCAQNDBV-UHFFFAOYSA-N 363.821 4.251 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1C 409008262 XKKOJCIDEGFDTR-AQTBWJFISA-N 353.443 4.283 0 40 FIAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC)C2=O)cc1OCC 409101411 XNWWVLBEGUUMGN-RIYZIHGNSA-N 355.843 4.194 0 40 FIAB O=C(Nc1cccc2c1CCCC2)N[C@H]1CCO[C@@H](c2ccncc2)C1 566544898 WIWORPZISCZIMJ-FXAWDEMLSA-N 351.450 4.002 0 40 FIAB O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)CC2)N1Cc1ccccc1 585100125 GFEBNZLOTOPTTI-QHCPKHFHSA-N 366.480 4.373 0 40 FIAB c1cc(CC2CCN(Cc3ccncc3)CC2)nc(Nc2nccs2)c1 585262675 RGZYLHLWWPESQA-UHFFFAOYSA-N 365.506 4.131 0 40 FIAB CC(C)(C)C[C@H]1CCN(C(=O)c2ccc(OCC(F)F)nc2)C1(C)C 622709329 DRVPDTXUMHLQMI-CQSZACIVSA-N 354.441 4.402 0 40 FIAB CC(C)CCc1ccc(NC(=O)N2CCC([C@H]3CCCCO3)CC2)nc1 667210332 YPRHIORHSWUGNG-LJQANCHMSA-N 359.514 4.483 0 40 FIAB C[C@@H]1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H]1n1ccnc1 675255119 FZGIXBMCHQMWAC-IUODEOHRSA-N 374.897 4.316 0 40 FIAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N(c3cccc(F)c3)C2)ccc1Cl 1526883968 VUPYWRWUFHFAPJ-CYBMUJFWSA-N 360.816 4.169 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1 857425 SRXHORSNEHOJHL-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB O=c1c2ccccc2nc(SCCN2CCCCC2)n1C1CCCCC1 905594 QZWYMTILVSONOC-UHFFFAOYSA-N 371.550 4.480 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(O)c2)o1 925454 FCJDQRVBRJHJSE-UHFFFAOYSA-N 369.446 4.044 0 40 FIAB COc1cccc(NC(=O)CSc2nc3cc(OC)ccc3cc2C)c1 932986 PYPMTRZYDFBBAJ-UHFFFAOYSA-N 368.458 4.291 0 40 FIAB Cc1cc(NC(=O)c2ccccc2F)ncc1NC(=O)c1cccs1 1352907 KQHQOGXLGGPSDU-UHFFFAOYSA-N 355.394 4.095 0 40 FIAB S=C(Nc1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1 1377715 IYUWCOMEBIJSFY-ROUUACIJSA-N 355.507 4.152 0 40 FIAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCc1cccs1 3248195 ZFZMAUFLUJLOMT-UHFFFAOYSA-N 367.426 4.014 0 40 FIAB COc1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1OC 3485513 UMULSWCUDCAMAF-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB CCc1ccccc1N1C(=O)C(Cl)=C(Nc2cc(C)cc(C)c2)C1=O 3953619 WOOWFRQMPMQSCH-UHFFFAOYSA-N 354.837 4.302 0 40 FIAB O=C(c1cccc(F)c1)N1CCN=C1SCc1c(F)cccc1Cl 4120158 FFMIUKKSWRFJKG-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2ccccc2F)c1=O 5270406 ASBPZRQAOIHTES-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB OC[C@@H](O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 5502259 VEPQCBJMHQPVLE-GSVOUGTGSA-N 356.485 4.399 0 40 FIAB C/C=C/c1ccc(OCC(=O)Nc2nc3ccc(F)cc3s2)c(OC)c1 6579407 JLTIGKXCZJZKEW-ONEGZZNKSA-N 372.421 4.495 0 40 FIAB COc1ccc2c(CC(=O)OCC(=O)c3cc(C)ccc3C)coc2c1 6653207 MQCOXNOGNYWETD-UHFFFAOYSA-N 352.386 4.027 0 40 FIAB CCn1c(=O)n(CC)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc21 6760693 QDJUYNRUYWZLDJ-UHFFFAOYSA-N 358.829 4.140 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3ccco3)cc2)cc1 6879520 XGXSTSZULQGCQS-UHFFFAOYSA-N 364.401 4.112 0 40 FIAB COc1ccc(Nc2nnc(Sc3ncnc4sccc34)s2)cc1 7272091 IXTSNZPBPDFOAQ-UHFFFAOYSA-N 373.488 4.446 0 40 FIAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)c1 7600898 MGGKLKUCOQEQFE-JOCHJYFZSA-N 358.441 4.438 0 40 FIAB COc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 7928968 SYAABUABYISBAT-INIZCTEOSA-N 367.445 4.086 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)N[C@@H](C)c1ccccc1)O[C@H](C)C2 8181744 XHCKPONNVHGQQI-PCCNWKQFSA-N 351.446 4.299 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1C 8265593 FAVGDWMGDZJRIQ-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB O=c1nc(-c2ccccc2)cc(C[C@H](O)c2ccc(Cl)c(Cl)c2)[nH]1 8653007 URBUFALGLHDPKQ-KRWDZBQOSA-N 361.228 4.020 0 40 FIAB COc1cc(CNC(=O)N(C)[C@@H](C)c2cccs2)ccc1OC(F)F 9256602 UFIYAJABOYRCDL-NSHDSACASA-N 370.421 4.261 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1cc(C)c2ccccc2n1 9377834 QTSJEQUPKCJCIS-AWEZNQCLSA-N 354.479 4.013 0 40 FIAB COc1ccccc1C(=O)CSc1nnc(-c2cccs2)n1C1CC1 9533353 FLQLOHPXPUBJQI-UHFFFAOYSA-N 371.487 4.325 0 40 FIAB Cc1cnc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)s1 9949470 ZDCYJEFTNSTXJL-UHFFFAOYSA-N 367.434 4.289 0 40 FIAB CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10770539 YAOKSVRZEYZUAG-CYBMUJFWSA-N 369.490 4.196 0 40 FIAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 11039052 IUBDESXIXISCGE-UHFFFAOYSA-N 368.502 4.302 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1 11417648 NRVBTRAHGRGPSR-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB C[C@@H]1SC(=N)N(c2ncc(Cc3ccc(Cl)c(Cl)c3)s2)C1=O 11689757 OHPJAZIDHPVACJ-ZETCQYMHSA-N 372.302 4.444 0 40 FIAB COc1ccc(C2(NC(=O)CCn3ncc4ccccc43)CCCC2)cc1 12155365 CQHIQVNNBSIGIB-UHFFFAOYSA-N 363.461 4.021 0 40 FIAB COC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 12396993 PVBUWRSPFKMYEN-UHFFFAOYSA-N 355.825 4.105 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)cc1F 12746750 SULAKAFPEABVRZ-UHFFFAOYSA-N 351.337 4.491 0 40 FIAB COc1cccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)c1OC 12761083 UWXMRGPBKKPWOC-UHFFFAOYSA-N 367.489 4.497 0 40 FIAB Cc1ccc(C2=N/C(=C\C(Br)=C\c3ccccc3)C(=O)N2)cc1 13302503 LUCLSKMWDVLSTB-LSQIQBGYSA-N 367.246 4.191 0 40 FIAB Sc1nnc(-c2cncc(Br)c2)n1-c1ccc(Cl)cc1 13691450 WYFNCSQACWVTJI-UHFFFAOYSA-N 367.659 4.034 0 40 FIAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(Cl)c1 15413764 NBUGQBCFHIHUIM-GOSISDBHSA-N 358.869 4.432 0 40 FIAB COCCn1c(SCCOc2cc(C)cc(C)c2)nc2ccccc21 15860706 BTDHDTKOYWKGPU-UHFFFAOYSA-N 356.491 4.471 0 40 FIAB Cc1nc(NC(=O)Nc2cccc3ccccc23)nc(O)c1Br 16249504 GZYDEUCYOBKKHG-UHFFFAOYSA-N 373.210 4.050 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)CCc1ccccc1 17156444 NDXVSEZBAOQDFF-CQSZACIVSA-N 351.475 4.265 0 40 FIAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(OC(C)C)cc1)C2O 19326269 AYJXUDXOGDBVGO-UHFFFAOYSA-N 372.553 4.051 0 40 FIAB CCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)O[C@H](C)C2 19532557 FREIJDIUYBPUAJ-GQIGUUNPSA-N 370.493 4.206 0 40 FIAB COc1ccc([C@@H](O)c2nc(-c3ccncc3)cc3ncccc23)c(C)c1 19570532 OUKMFIFBPSNIHA-JOCHJYFZSA-N 357.413 4.091 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609875 FHAGHUMZMQEWFC-NTEUORMPSA-N 370.412 4.081 0 40 FIAB COc1ccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1OC(F)F 22766165 RWBDCESDDRFVOL-SECBINFHSA-N 372.318 4.014 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1C(F)(F)F 22864797 HXZHGJDLMANLCM-UHFFFAOYSA-N 362.351 4.194 0 40 FIAB Cc1nc(NC(=O)/C=C/c2ccco2)sc1Cc1ccc2c(c1)OCO2 22884059 OZDVNUGXDCHXOY-FNORWQNLSA-N 368.414 4.016 0 40 FIAB O=C(c1cc(Br)c[nH]1)N(Cc1ccco1)Cc1cccs1 24461001 AAQNEHGDHGXXTL-UHFFFAOYSA-N 365.252 4.274 0 40 FIAB COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1 27663717 AAMADYVSJXFBKM-FQEVSTJZSA-N 372.896 4.306 0 40 FIAB biogenic O=C(Cc1ccccc1)Nc1n[nH]c(-c2ccccc2-c2ccc(F)cc2)n1 27914226 NSJHVYIZLCTOOE-UHFFFAOYSA-N 372.403 4.459 0 40 FIAB CCOc1ncccc1CNC(=O)CSc1ccc(C(C)(C)C)cc1 30308071 QWIILXBMLXBKSS-UHFFFAOYSA-N 358.507 4.186 0 40 FIAB Cc1ccc(C(=O)N2N=C(C3CCCCC3)C[C@]2(O)C(F)(F)F)cc1 32100784 JEBNWCXOKCCXTE-KRWDZBQOSA-N 354.372 4.028 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 32669917 AKCBDWSVKOBXER-YXJHDRRASA-N 363.523 4.022 0 40 FIAB CC(C)(C)c1cc(NC(=O)CNc2ccccc2N2CCCCCC2)on1 32770421 PZAVJRHYINUFLY-UHFFFAOYSA-N 370.497 4.403 0 40 FIAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2cc(C)no2)ccc1OC(C)C 32932477 AMDMWHULHHETMF-VMSUTVGLSA-N 370.449 4.156 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)NCCc2cccs2)cc1 32988762 JSVRKIKXFNPKNY-UHFFFAOYSA-N 356.516 4.390 0 40 FIAB O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)NC2CCCCC2)CC1 35313669 UBSCRVIUKSRITH-UHFFFAOYSA-N 363.889 4.033 0 40 FIAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1C(=O)c1ccccc1 39757565 HSINGTOYQWIAEE-UHFFFAOYSA-N 369.380 4.220 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1cccc2cccnc12)c1ccsc1 40089493 SLWVDIMZEDVMDE-SFHVURJKSA-N 353.491 4.109 0 40 FIAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H]1c1ccsc1 40110463 NFKRCRBUQNCKON-KRWDZBQOSA-N 350.447 4.259 0 40 FIAB CCOc1cccc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)c1 40139749 RDMAONVWSMNSFU-XNTDXEJSSA-N 352.459 4.418 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140621 XRMYONBHPRCKGI-UHFFFAOYSA-N 371.362 4.339 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1 40150741 UDBZOJWXSNVLAS-QGZVFWFLSA-N 351.450 4.186 0 40 FIAB COC(=O)c1ccc(N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)nn1 48229661 PZICXSDVSZLDKN-CYBMUJFWSA-N 367.380 4.368 0 40 FIAB CCCCN(CC)C(=O)c1ccccc1OCc1cn2cc(C)ccc2n1 48265026 MGYGDHTVQVTGMX-UHFFFAOYSA-N 365.477 4.484 0 40 FIAB O=C(c1cc2cccc(Br)c2o1)N(Cc1ccncc1)C1CC1 48313339 VVWMZUZJGVBOFE-UHFFFAOYSA-N 371.234 4.395 0 40 FIAB COc1ccc(C)cc1[C@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1 53552931 BTPSVBZYAMENQT-HNNXBMFYSA-N 359.433 4.281 0 40 FIAB O=C(CNc1ccccc1Cl)N1N=C(c2ccco2)C[C@H]1c1ccco1 55530894 CRJIDRUOYCVEFW-INIZCTEOSA-N 369.808 4.316 0 40 FIAB Cc1ccc(C2(O)CCN(Cc3nc4ccccc4n3C(C)C)CC2)cc1 57822745 CSJRKEJBLKBCFQ-UHFFFAOYSA-N 363.505 4.409 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccccc1 58028956 PAVMDMHECKXMMD-OAQYLSRUSA-N 365.477 4.328 0 40 FIAB COc1ccc(N(C)C(=O)c2cn(Cc3ccccc3)c3ccccc23)cn1 65740938 VDWPPJCGDSQYFC-UHFFFAOYSA-N 371.440 4.370 0 40 FIAB COc1cc(Cl)cc2cc(/C=C/C(=O)NCCc3ccccc3)oc12 67339995 RHHUSGIFIKMXIL-BQYQJAHWSA-N 355.821 4.467 0 40 FIAB CC(C)[C@@H](SCc1ccccc1)C(=O)NCCSC(F)(F)F 69949100 HIWXLQUUHOKIHU-CYBMUJFWSA-N 351.459 4.314 0 40 FIAB COc1cccc(CN2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1OC 72390165 RUAOCHLAMNLDQJ-OAHLLOKOSA-N 371.462 4.152 0 40 FIAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccccn1 72403712 XBWUJRQLOYIHOB-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB C[C@H]1CCCN(C(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 84697658 HNILMKIVNIKSQS-HNNXBMFYSA-N 357.429 4.345 0 40 FIAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1n[nH]c(=S)n1C 85400136 DEGULNNWCJGILG-LBPRGKRZSA-N 373.309 4.302 0 40 FIAB COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2ccc3[nH]c(=S)oc3c2)cc1 95459312 HENXMFXTEPNZKH-DIFFPNOSSA-N 372.446 4.005 0 40 FIAB CCO[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2cc(C)ccc21 96161195 BEILUEHNNZNGKC-FQEVSTJZSA-N 350.462 4.045 0 40 FIAB CCOc1ccc2c(c1)s/c(=N/C(=O)CCSc1ccccc1)n2C 100837252 SYDSFFFKGTXMKO-FMQUCBEESA-N 372.515 4.248 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1Cl 103718118 WPGGMFQUIOYFJJ-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB C(=C/c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1)\c1cccnc1 113722152 WPGXNHVQLCNBRE-JXMROGBWSA-N 366.384 4.036 0 40 FIAB Cc1ccc(OC2CCN(C(=O)c3cc4nc(C)ccc4o3)CC2)cc1 172241371 OYHGHXARRCCNQJ-UHFFFAOYSA-N 350.418 4.128 0 40 FIAB CCCOc1ccc(CCC(=O)c2ccc(N3CCOCC3)cc2)cc1 199734203 IRSNTUXIDMMPKR-UHFFFAOYSA-N 353.462 4.128 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 219327068 QVZFEGHDZZUAKM-HXUWFJFHSA-N 359.441 4.131 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)c1 223005060 RGAGTFWLMNLKDV-INIZCTEOSA-N 373.518 4.230 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)[nH]1 223371793 NYTVJLFFJMCZRZ-UXHICEINSA-N 362.502 4.199 0 40 FIAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C 223445491 TYKPNOWBVLECAJ-OAHLLOKOSA-N 351.899 4.446 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccccc1 223757677 SMDCVCPWJLESQY-HXUWFJFHSA-N 355.459 4.278 0 40 FIAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc2c(c1)CCCC2 224704970 NLMMONKBJDIQGJ-UHFFFAOYSA-N 362.517 4.481 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCc1ccc(Cl)cc1 225094498 CWSHZQIXDIMERG-HNNXBMFYSA-N 357.881 4.345 0 40 FIAB C[C@@H](O)c1ccc(C2(CNC(=O)c3cccc(N(C)C)c3)CCCC2)s1 225681069 FCDDYOFZVIGSHM-OAHLLOKOSA-N 372.534 4.109 0 40 FIAB CCc1ccc(CC)c(CNC(=O)CCc2ccc(OC)c(OC)c2)c1 225728364 GTHXEWJHQOTFDI-UHFFFAOYSA-N 355.478 4.078 0 40 FIAB Cc1ccc(-c2cc(C)nc(SCC(=O)NCc3ccccc3)n2)cc1 408547597 ZRYSSFLCTWYFNZ-UHFFFAOYSA-N 363.486 4.169 0 40 FIAB CCOC(=O)CCCC(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358032 CUSAAJFGZSPNED-UHFFFAOYSA-N 362.372 4.460 0 40 FIAB COc1ccc([S@](C)(=O)=NC(=O)c2cc3c(C)c(C)ccc3[nH]2)cc1 1303909235 ANIJCVSRQIVCFT-VWLOTQADSA-N 356.447 4.090 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN([C@H]2CCSC2)CC1 1565522116 BJGHNKLHSPBYNO-ZDUSSCGKSA-N 374.337 4.039 0 40 FIAB CC(C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(O)c(C(C)C)c1 1776368617 YNSMQJJRZNRQDE-LJQANCHMSA-N 369.461 4.065 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1cc(C)on1)C3=O 704045 BZAOBGGFMLDYKF-IBGZPJMESA-N 372.380 4.148 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 814025 XINQHKAEMIWWKK-UHFFFAOYSA-N 369.446 4.294 0 40 FIAB CC(=O)Oc1cc2c(C(=O)NCc3ccco3)c(C)oc2c2ccccc12 1236056 KYDAOHMAIVPYQA-UHFFFAOYSA-N 363.369 4.343 0 40 FIAB CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCc2ccccc21 1337576 BCZIKNVYGZBYHW-KRWDZBQOSA-N 353.495 4.032 0 40 FIAB CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccco1 1364351 PKMZACUCWWQTTQ-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Br)o1 2721016 GYSPTSJMEMQPTE-UHFFFAOYSA-N 365.252 4.046 0 40 FIAB Cc1nc2cc3c(cc2c(C)c1C(=O)Nc1ccc(Cl)cc1)OCO3 3437797 XJXJTPKKEFHQNK-UHFFFAOYSA-N 354.793 4.486 0 40 FIAB COc1ccc(-n2cnnc2SCc2ncc(-c3ccccc3)o2)cc1 3443392 LOQVIYVXUBFSRQ-UHFFFAOYSA-N 364.430 4.223 0 40 FIAB Cc1c(C(=O)C(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc2n1C 4062410 WXEHJGSYWAXSHF-UHFFFAOYSA-N 374.484 4.151 0 40 FIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)Cc4ccccc4)[C@H]3C=C12 4073793 OFXZQIJQJISEJF-IVVFSKFDSA-N 353.506 4.433 0 40 FIAB biogenic CCOC(=O)c1sc2nc(NC(=O)c3ccccc3C)sc2c1C 4223948 XIWGLSQMZJLFMY-UHFFFAOYSA-N 360.460 4.404 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccccc1F 4854290 IPRFOKXPUYQNBX-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(O)c1 4945057 AXZVOKTYZAGOBT-UHFFFAOYSA-N 352.415 4.267 0 40 FIAB O=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 5256117 KVCSKSVYTSOGBM-HXUWFJFHSA-N 365.864 4.456 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(N2CCCCC2=O)cc1 5441179 HAGPKECKKCDRTM-UHFFFAOYSA-N 374.440 4.374 0 40 FIAB Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1 5545622 WXXLTTIQFYCTPY-UHFFFAOYSA-N 365.498 4.496 0 40 FIAB COc1ccc(/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O)cc1OC 6182205 FIBSWCSXTPPBTQ-ZROIWOOFSA-N 352.308 4.348 0 40 FIAB CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2c(F)cccc2F)NC(=O)N1 6202344 BIIIHAVXBZRFRJ-MRXNPFEDSA-N 362.763 4.129 0 40 FIAB Cc1cc(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)ccc1F 6543290 ZIFNRBPBIYAJJP-UHFFFAOYSA-N 369.417 4.308 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2cccc3nsnc23)cc1Cl 6640992 OSXCGWIHPGDJCU-UHFFFAOYSA-N 354.218 4.259 0 40 FIAB CCOc1ccccc1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 6650535 SPCZMCFPHKQLCH-AWEZNQCLSA-N 351.402 4.303 0 40 FIAB Cc1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1C 6886773 ZLOAXMXXWGYIHK-UHFFFAOYSA-N 368.458 4.028 0 40 FIAB Cc1ccc(/C=C/C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cc1 7440542 ICLUVELWIMZHOD-IZZDOVSWSA-N 354.793 4.455 0 40 FIAB CCOc1ccc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)nn1 7573309 XORQPBQIWBMKTJ-UHFFFAOYSA-N 353.809 4.448 0 40 FIAB CC1(C)CC(NC(=O)C2c3ccccc3Oc3ccccc32)CC(C)(C)N1 7771001 UOQPBXOMOGPKRH-UHFFFAOYSA-N 364.489 4.350 0 40 FIAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2cccc3ccccc23)c1 7795645 CIJOUKMHDOBESB-UHFFFAOYSA-N 373.861 4.078 0 40 FIAB CS(=O)(=O)Nc1ccc(-c2csc(Nc3ccc(F)cc3)n2)cc1 8042181 XEWWOOJLQFPTAA-UHFFFAOYSA-N 363.439 4.064 0 40 FIAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)C[C@@H]2C=CCC2)o1 8324286 PQUSUFIDGLABQY-CQSZACIVSA-N 365.389 4.100 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2C)n1 8476481 BDKRGALSOAZZRO-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB CCCCOc1ccc(C(=O)Nc2nccs2)cc1Br 8564041 KWWZSDKSNDOPNE-UHFFFAOYSA-N 355.257 4.337 0 40 FIAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4nc(C)cs4)c(N)c3cc2C1 9015582 SJWZHHBHBURPPW-SNVBAGLBSA-N 372.519 4.411 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)N[C@H](C)c1ccc(F)cc1 9502669 BMNAODSPSODLIE-OLZOCXBDSA-N 371.437 4.234 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1 9989035 CXVPSBFRUNQCOZ-UHFFFAOYSA-N 363.244 4.124 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842083 QZSLDRQYWJPHNN-ZDUSSCGKSA-N 371.868 4.436 0 40 FIAB Cc1cccc(Cc2cnc(NC(=O)[C@H]3COc4ccccc4C3)s2)c1 11689954 JCHBMDSFBGFRQY-QGZVFWFLSA-N 364.470 4.232 0 40 FIAB CCCSc1ncc(Br)c(C(=O)Nc2ccc(F)cc2)n1 11916164 JCZNXIOCQVJXBG-UHFFFAOYSA-N 370.247 4.133 0 40 FIAB Cn1c(C[C@H](NC(=O)C[C@@H]2C=CCC2)c2ccccc2)nc2ccccc21 12604279 CXGSNDSEQQIFAP-XLIONFOSSA-N 359.473 4.330 0 40 FIAB CC[C@H](C)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 12815858 MJIHBVBKOJJRBY-JTQLQIEISA-N 353.285 4.481 0 40 FIAB C[C@H](OC(=O)/C=C/c1c(F)cccc1Cl)C(=O)N(C)c1ccccc1 12908637 QFWMCYCIWOFDTE-YLSINNKHSA-N 361.800 4.087 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2csc(-c3ccccc3)n2)cc1F 12930927 BRXCHRHBCFJUDO-LBPRGKRZSA-N 356.422 4.449 0 40 FIAB CCOCc1cc(CN(Cc2cccnc2)Cc2ccco2)ccc1OC 13569367 MTBMNBHKXNDVKM-UHFFFAOYSA-N 366.461 4.422 0 40 FIAB CC(C)c1nc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nn1-c1ccccc1 13984626 FWQDLPFWOJRSAK-IYBDPMFKSA-N 372.538 4.272 0 40 FIAB Cc1cc(-c2c[nH]nc2[C@H]2CCCCN2Cc2cccc(F)c2F)on1 19120941 YHAUICDGNOHCTA-MRXNPFEDSA-N 358.392 4.379 0 40 FIAB COc1ccc([C@@H]2[C@@H](NCc3ccncc3C)[C@@H]3CCCC[C@H]32)cc1OC 19239549 QXFAHLQQSDYZIG-VKGYTVAMSA-N 366.505 4.469 0 40 FIAB FC(F)(F)C1(C(F)(F)F)N=C(c2ccccc2)NC(c2ccccc2)=N1 19324700 UDWCMBHZUNQXPA-UHFFFAOYSA-N 371.284 4.304 0 40 FIAB COC(C)(C)C(=O)N1CCC(c2ccc(Cc3ccccc3C)cn2)CC1 19690446 FRJKBJSWNXAULV-UHFFFAOYSA-N 366.505 4.112 0 40 FIAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 19923777 YLICOYDOYFHRKA-UHFFFAOYSA-N 363.383 4.368 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 20492138 GFJBDNHDCBSPBN-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB COc1ccc(-c2csc(Cc3ccc(OC)c(OC)c3)n2)c(OC)c1 23624835 VGZSWONTLGPWHZ-UHFFFAOYSA-N 371.458 4.435 0 40 FIAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cc(F)cc(F)c1 24924297 GNJFKSPIWJZRML-UHFFFAOYSA-N 356.328 4.170 0 40 FIAB CCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCC1 27584175 AZLSZBSWNZWMNB-QGZVFWFLSA-N 358.507 4.104 0 40 FIAB Cc1ccccc1CSc1nc(=O)n(Cc2ccccc2)c2c1CCC2 27992646 PLWNLZQLDNCILD-UHFFFAOYSA-N 362.498 4.381 0 40 FIAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 30577693 DMZOPOKOXIGRQR-GOSISDBHSA-N 363.486 4.415 0 40 FIAB CCc1nnc(NC(=O)c2ccc(SCc3cccnc3)cc2)s1 31677810 NDGLDECIHHUMJG-UHFFFAOYSA-N 356.476 4.040 0 40 FIAB COc1ccc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1 33809540 JTNWCNXEKAUMKH-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB COc1cc(CO)c(Br)cc1OCc1ccccc1Cl 34772872 IJLIVKRAJMIELE-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)c(F)c2)cc1 35289361 WAFLMDWHCZLVGM-GOSISDBHSA-N 355.413 4.078 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(C)c(C)c2)cc1 35289627 DKGWBUDRQIRPMF-IBGZPJMESA-N 351.450 4.247 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 40110729 XKYNNDJOFYVIEZ-UHFFFAOYSA-N 370.424 4.362 0 40 FIAB CNC(=O)c1cc(Cl)ccc1NC(=O)Cc1coc2cc(C)c(C)cc12 40117725 LYFZMKQMILHISR-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB Cc1cnc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)s1 40119804 CJIMGIVESWKKFZ-UHFFFAOYSA-N 360.870 4.089 0 40 FIAB C[C@@H](NC(=O)NCc1ccnc(N(C)C)c1)c1ccc(Cl)c(Cl)c1 47612142 WBBKTXKUGOYQRP-LLVKDONJSA-N 367.280 4.015 0 40 FIAB COc1cc(CC(=O)Nc2ccccc2NCC(F)(F)F)ccc1C 48310936 HZKOUARHZUJVDW-UHFFFAOYSA-N 352.356 4.159 0 40 FIAB CC(=O)NCc1ccc(C(=O)O[C@H](Cc2ccccc2)c2ccccc2)cc1 48332072 UFLMDNQOBVQVFM-HSZRJFAPSA-N 373.452 4.464 0 40 FIAB Cc1cc(C(=O)NC(C2CC2)C2CC2)c2c(Br)cccc2n1 48355790 QGQXJVIWJAFHCG-UHFFFAOYSA-N 359.267 4.224 0 40 FIAB Cc1c(C(=O)Nc2nc3c(s2)CN(C)CC3)sc2ccc(F)cc12 53760200 LLKSXWBHCAYADX-UHFFFAOYSA-N 361.467 4.046 0 40 FIAB C[C@@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccc(C(F)(F)F)cc1 57806729 ORJBEEPHHKBUHM-AWEZNQCLSA-N 362.395 4.115 0 40 FIAB CC(C)c1nc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cs1 58066026 PNGWWJRKPKMOIA-KRWDZBQOSA-N 350.447 4.433 0 40 FIAB COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1 66087652 RYOGLGFPDPCDAG-INIZCTEOSA-N 353.809 4.008 0 40 FIAB Fc1ccc2c(C3=CCN(C(=S)NCc4ccco4)CC3)c[nH]c2c1 71800065 HJVRKCDQMCHLSV-UHFFFAOYSA-N 355.438 4.064 0 40 FIAB Cc1cc(-c2cc(=O)n(Cc3ccccc3C)nc2-c2cccs2)on1 72337060 QWQPJXXVHVIRBF-UHFFFAOYSA-N 363.442 4.292 0 40 FIAB Cc1ccc2nc(C3CN(C(=O)c4ccccc4C(F)(F)F)C3)[nH]c2c1 75156446 WCYYRBAKMKQJSR-UHFFFAOYSA-N 359.351 4.130 0 40 FIAB CC(C)n1ccc2ccc(C(=O)NCCCc3nc4ccccc4[nH]3)cc21 79475874 CJMALBFMEZAMFK-UHFFFAOYSA-N 360.461 4.461 0 40 FIAB COCCOc1ccc(CN2CCCCC[C@@H]2c2ccncc2)cc1OC 95453816 NOCIBAJKDNGCEX-HXUWFJFHSA-N 370.493 4.233 0 40 FIAB CC(C)CCN1Cc2ccccc2C2(CCN(C3CCOCC3)CC2)C1 96242478 DVIAODMDSWJPJR-UHFFFAOYSA-N 356.554 4.061 0 40 FIAB CO[C@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 96388348 WVNWHFJOSDKJDF-QGZVFWFLSA-N 369.358 4.281 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1Cc1ccccc1 101184797 XZANZUXSZCETEM-UZLBHIALSA-N 354.475 4.015 0 40 FIAB O=C1/C(=C/c2csc3ccccc23)NC(=S)N1c1ccccc1F 102203765 MBJAYIJOBAZVRW-ZROIWOOFSA-N 354.431 4.303 0 40 FIAB CCn1c(-c2ccc(OC)cc2)cs/c1=N/c1ccc(C(=O)O)cc1 103449277 WRKKPQKKULXCOG-FMQUCBEESA-N 354.431 4.176 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 195529348 PQEFVWPSUOALNZ-SGXKBVARSA-N 371.525 4.295 0 40 FIAB Ic1ccc(OCc2ccccc2)c2ncccc12 196627407 KPIPNOIRALBOGN-UHFFFAOYSA-N 361.182 4.418 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C)c1ccc(OC)c(OC)c1 219290070 VJWIKJHVAHGGBC-NVXWUHKLSA-N 357.450 4.047 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCN1CCCc2ccccc21 219320098 VEIJMRQYMNGUTC-JOCHJYFZSA-N 366.505 4.112 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3C[C@@H](C)C[C@@H](C)C3)nc2)cc1 223944044 ZTTILEZLFCWUCG-CALCHBBNSA-N 368.550 4.359 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1C 224655494 MPSMWCKHNPXDQV-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 225078328 PXJWQPWJNPRTCA-ROUUACIJSA-N 367.489 4.225 0 40 FIAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OC 225755232 UYHPHPRHBKXFLE-UHFFFAOYSA-N 367.445 4.322 0 40 FIAB Cc1csc2nc(SCC(=O)Nc3cccc(Cl)c3)nc(O)c12 408594916 DFJDPGQGIZRCPL-UHFFFAOYSA-N 365.867 4.090 0 40 FIAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 408614516 DDAWTIYOGRIARS-UHFFFAOYSA-N 374.440 4.268 0 40 FIAB CC(C)CNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408626175 ZXBVYUZMFWJXDI-UHFFFAOYSA-N 354.837 4.215 0 40 FIAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 409002529 OHJIVFCZRTXJGQ-UHFFFAOYSA-N 374.396 4.451 0 40 FIAB CC1=C(C)C[C@H]2C(=O)N(CCOc3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C1 409377881 LWLLMDJQTBCPOV-RTBURBONSA-N 355.478 4.094 0 40 FIAB COc1cc2c(cc1OC)[C@@H](NC(=O)c1oc3ccccc3c1C)CC2 524732503 KOFXDSDDAUYFKO-INIZCTEOSA-N 351.402 4.176 0 40 FIAB Cc1cccc(-c2n[nH]cc2CN2C[C@H](C)O[C@@H](c3ccsc3)C2)c1 539850072 CZBSLBUPAKZVDO-HNAYVOBHSA-N 353.491 4.409 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)CCn1c(C)ccc1C)c1nc2ccccc2[nH]1 575443210 DIDQBSCMDLJCKL-VLIAUNLRSA-N 352.482 4.275 0 40 FIAB O=C(NCc1cc(F)ccc1OC(F)F)c1cccc2cc(O)ccc12 1647726550 DSEOHHHJJMMNRC-UHFFFAOYSA-N 361.319 4.216 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)c2ccncc2F)CN1c1ccc(F)cc1 2037989016 RIFBUZSTRPYMIT-OAQYLSRUSA-N 371.431 4.024 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc(C)c1C 652703 OYMBHFSBVJIGOB-UHFFFAOYSA-N 369.389 4.395 0 40 FIAB CCn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 661865 XTYMJGYOTGJUBN-LICLKQGHSA-N 365.820 4.412 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](Sc3nc4ccccc4o3)C2=O)cc1Cl 724966 CVFNKHHYCDNXJJ-OAHLLOKOSA-N 372.833 4.214 0 40 FIAB aggregator CC(=O)O[C@@]12Oc3cc(OCc4ccccc4)ccc3C(C)=C1C[C@@H](C)O2 968748 SDLJMPWAFSRIAU-JLCFBVMHSA-N 366.413 4.457 0 40 FIAB biogenic CCCCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 1909439 PRLOIQQHGGZLPD-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB CC(C)c1nc2oc3c(N4CCCC4)ncnc3c2c2c1COC(C)(C)C2 2236342 XPQJNNYXXVIKRC-UHFFFAOYSA-N 366.465 4.346 0 40 FIAB COc1ccc(-n2c(SC(C)C)nc3c([nH]c4ccccc43)c2=O)cc1 2720791 QHXTYQKNMFPVAQ-UHFFFAOYSA-N 365.458 4.376 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccc(I)cc2)c1 3040132 XKKWRFVABSFEGY-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB Cc1cc(NC(=S)NC(=O)C2CCCCC2)ccc1Br 3245001 PBMFYVOJXJIYSF-UHFFFAOYSA-N 355.301 4.151 0 40 FIAB O=C(CSc1nncn1-c1ccccc1)c1ccccc1Br 3415734 LNQFZQNXNYONFL-UHFFFAOYSA-N 374.263 4.005 0 40 FIAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(Cl)cc1F 3441415 WPNXSOXTGDSUJA-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cncc(Cl)n1 3851964 JAWAADDZRNLNGZ-UHFFFAOYSA-N 369.652 4.420 0 40 FIAB biogenic CC1=C2C[C@@H]3[C@@H](CNCc4ccc(F)cc4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4028556 RQMDDMBXJIFXNQ-RMEPHLEKSA-N 357.469 4.374 0 40 FIAB biogenic C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1 4436894 BRLVAOYXNAXRNE-SNVBAGLBSA-N 369.751 4.125 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 4512265 RHKICOAKNWHGFD-UHFFFAOYSA-N 353.418 4.308 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(C4CCCCC4)nc32)cc1Cl 5156479 VZIQCOOIPNRJTD-UHFFFAOYSA-N 366.856 4.473 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1c(Cl)cccc1Cl 5375317 HEXCHYIRXUMLJL-HNNXBMFYSA-N 354.189 4.292 0 40 FIAB CSc1ccccc1NC(=O)COc1ccc(Br)cc1 5443601 TYQXZHNQRBCZEU-UHFFFAOYSA-N 352.253 4.189 0 40 FIAB CCOc1ccc(NCc2nnc(S)n2-c2cccc(Cl)c2)cc1 5444564 ALUVGJGYLRRUGX-UHFFFAOYSA-N 360.870 4.220 0 40 FIAB CC(C)Oc1cccc(-c2nc(O)c3c(n2)Oc2ccc(F)cc2C3)c1 6748550 YNSSXMIRKQBOSV-UHFFFAOYSA-N 352.365 4.472 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 7305751 ZRONRNPHMQRRGK-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB O=C(c1cc(Cl)ccn1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 8038219 JBGZACVDRKQIKI-CYBMUJFWSA-N 373.865 4.171 0 40 FIAB CCSc1nnc(NC(=O)c2ccsc2-n2c(C)ccc2C)s1 8755471 YZFWWMYXNDAWBQ-UHFFFAOYSA-N 364.521 4.371 0 40 FIAB COc1ccc(CN(C2CC2)[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 8944143 OZEYGPKXYLHNQY-HNNXBMFYSA-N 368.477 4.079 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 9015351 SDSIAXSATRQOQE-AWEZNQCLSA-N 353.809 4.213 0 40 FIAB Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1 10213594 RUTOJPGMQFWANG-UHFFFAOYSA-N 364.428 4.407 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cc(F)cc(F)c1 10225486 RWPPAWPPKYUYFV-UHFFFAOYSA-N 369.415 4.264 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 10677266 DZRHQWORGBLILL-UHFFFAOYSA-N 372.428 4.108 0 40 FIAB COc1ccc(-c2c(C)nn3c(NCCc4ccccn4)cc(C)nc23)cc1 12113333 QOJUCMRVQZWAJF-UHFFFAOYSA-N 373.460 4.071 0 40 FIAB COc1cc(Nc2ccc(NC(=O)Nc3ccc(C)cc3)cc2)nc(C)n1 12225771 BLBQPBDOJVAJME-UHFFFAOYSA-N 363.421 4.490 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)cc3)s2)cc1 12535571 WOBDEFQOOZTCTK-UHFFFAOYSA-N 374.469 4.480 0 40 FIAB Cc1nc2cc(NS(=O)(=O)c3c(Cl)cccc3Cl)ccc2o1 12536097 NDGGLPIJQZSLOX-UHFFFAOYSA-N 357.218 4.244 0 40 FIAB CCCc1noc(CSc2nnc(-c3ccc(OC)cc3)n2C(C)C)n1 12648141 YKMZRRWYUICPBH-UHFFFAOYSA-N 373.482 4.162 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1oc3ccc(F)cc3c1C)CC2 12802575 GPCIKAUWVCIOBK-UHFFFAOYSA-N 369.392 4.096 0 40 FIAB CC(C)OC(=O)c1ccc(NC(=O)CN[C@@H](C)c2ccccc2Cl)cc1 13040161 FSYIJASDJZKWII-AWEZNQCLSA-N 374.868 4.195 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(F)ccc3F)c12 14260745 RCBFTQUBCUZMJV-UHFFFAOYSA-N 355.300 4.322 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 15330017 OZDGCUWTNMFMMT-NSHDSACASA-N 353.390 4.416 0 40 FIAB Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 15936013 QYDSTQNKNZLRHE-OAHLLOKOSA-N 355.413 4.017 0 40 FIAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)CC(C)(C)C)CC2)C1 19082520 QPOPVAJSGCZILZ-UHFFFAOYSA-N 358.526 4.087 0 40 FIAB O=C(Nc1nc(CN2CCCCC2)cs1)c1csc2c1CCCC2 22238361 BYZGVOCMJQUALA-UHFFFAOYSA-N 361.536 4.322 0 40 FIAB Oc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22463137 KBSZKZDILXBWMX-UHFFFAOYSA-N 358.485 4.299 0 40 FIAB in-man CN(C)C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 26323167 PDLVSTZTHMXUIF-SFHVURJKSA-N 369.852 4.028 0 40 FIAB CCOC(=O)c1sc2ncnc(N(C)[C@H]3CCc4ccccc43)c2c1C 29147908 RAADMTCAWWSUCD-HNNXBMFYSA-N 367.474 4.300 0 40 FIAB CN(C)/C=C1\C(=O)N(c2ncc(C(F)(F)F)cc2Cl)c2ccccc21 29763560 QYLXLJIKVGJPCS-XFXZXTDPSA-N 367.758 4.335 0 40 FIAB O=C(NCCCn1cccn1)c1ccccc1-c1ccc(C(F)(F)F)cc1 30170932 HDXMWVKJSMJKJP-UHFFFAOYSA-N 373.378 4.389 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)N[C@H]3CCCC[C@H]3C)co2)cc1 31424523 HBENUPGYAAODPH-KDOFPFPSSA-N 374.506 4.278 0 40 FIAB Cc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2ccc(F)cc2)no1 32095720 JDYDMKLKMANOCA-UHFFFAOYSA-N 360.414 4.292 0 40 FIAB Cc1nnsc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 32554083 IBZWIPGABHXKAQ-UHFFFAOYSA-N 352.444 4.376 0 40 FIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(Br)cc1 33136191 VPJQNUMLSPNQES-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB OCc1ccc(OCc2ccccc2Cl)c(I)c1 34772857 KLBBECRHIRNVAN-UHFFFAOYSA-N 374.605 4.016 0 40 FIAB CCCc1cc(C(=O)OCC(=O)c2cccc(OC)c2)c2ccccc2n1 36647255 WHGBRTVYIJKRIP-UHFFFAOYSA-N 363.413 4.236 0 40 FIAB O=Cc1c(C(F)(F)F)nn(-c2ccc(Br)cc2)c1Cl 37326864 SZXOFAOSNGDFKK-UHFFFAOYSA-N 353.525 4.120 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1 38500930 OOLMZYJBZYYAPP-UHFFFAOYSA-N 353.397 4.361 0 40 FIAB Cc1ccc(-c2noc([C@H]3CC(=O)N(Cc4ccc(Cl)cc4)C3)n2)cc1 38923306 CSBKFTVYTKOIOB-INIZCTEOSA-N 367.836 4.215 0 40 FIAB CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)c(OC(F)F)c1 40104554 FCMLLWAQGBMBCB-UHFFFAOYSA-N 350.365 4.351 0 40 FIAB O=C(Nc1cc(Br)ccc1Br)NC1CCCC1 40104719 SGXRRFCFKLSXBY-UHFFFAOYSA-N 362.065 4.276 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)c2ccc(Br)s2)cc1 40219056 FSIJPMBBVZHQPF-UHFFFAOYSA-N 353.241 4.111 0 40 FIAB Cc1cc(Br)cc2c(C(=O)O)cc(-c3ccc(N)cc3)nc12 40451256 BQSPALSZMYZCMD-UHFFFAOYSA-N 357.207 4.253 0 40 FIAB Cc1cc(Br)c2oc(-c3cccc(-n4cnnc4)c3C)nc2c1 45920664 VWPBGKYTXZZSDK-UHFFFAOYSA-N 369.222 4.455 0 40 FIAB Cc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 49169784 JWEJVYTZDMSNFK-SFHVURJKSA-N 372.472 4.440 0 40 FIAB biogenic,in-vitro CN(C(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1)C1CCCCC1 49983467 QVYGAMOAOXHDDJ-UHFFFAOYSA-N 356.510 4.496 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@@H](c1ccco1)N1CCCC1 50041073 HWSLNJAIVQSVHB-INIZCTEOSA-N 367.276 4.082 0 40 FIAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)c2cc(F)ccc2F)c1 56283758 AFPYRZWFPQMQAJ-NSHDSACASA-N 374.416 4.357 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc2ccccc12 57767921 MMDBZQVTVQCEBD-OAHLLOKOSA-N 367.470 4.124 0 40 FIAB CCSc1nnc(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)s1 58201032 UGTCHRDMMRNELL-VIFPVBQESA-N 370.521 4.031 0 40 FIAB Cc1cc(C)c(NC(=O)N[C@@H](c2nnc3ccccn23)C(C)C)c(C)c1 58317064 HONXTEZXYWQACU-QGZVFWFLSA-N 351.454 4.173 0 40 FIAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)C1CC1 63728426 FDAZOAYHBJICCL-UHFFFAOYSA-N 366.845 4.336 0 40 FIAB CCn1ncc2ccc(NC(=O)c3cc(C)n(Cc4ccco4)c3C)cc21 65491145 CRDOVKQRNKBROG-UHFFFAOYSA-N 362.433 4.368 0 40 FIAB COc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 72348953 MHZQGIQQICLSKY-HXUWFJFHSA-N 373.500 4.456 0 40 FIAB Cc1csc(-c2nc(NCCCN(C)C)ncc2-c2ccsc2)n1 72396930 XSHRRIOANWJNTD-UHFFFAOYSA-N 359.524 4.001 0 40 FIAB Cc1nc(C(=O)Nc2nc(-c3cccnc3)cs2)c(CC(C)C)s1 72402743 CZBCYJCMEJQUDV-UHFFFAOYSA-N 358.492 4.421 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(-c3nc(C)cs3)cc2)c(OC)c1 84271400 KYLCXJRVHHPXDN-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@H](CN2CCCCC2)C1 84667732 JVJPAORAUCDFDI-JKSUJKDBSA-N 374.916 4.259 0 40 FIAB CC(C)Oc1ccc(-c2nc(C(=O)NC[C@@H]3CCO[C@H](C)C3)cs2)cc1 95457828 CGPWLFVAUIFPMA-HUUCEWRRSA-N 374.506 4.142 0 40 FIAB COC(=O)c1cc(-c2ccccc2Cl)n(Cc2cccnc2Cl)n1 95980941 PEWLYVSHFXAJRE-UHFFFAOYSA-N 362.216 4.087 0 40 FIAB CC(=O)N1CCC2(CC1)C[C@H](NCc1ccc(C)s1)c1ccccc1O2 96242680 MOOKGGDANWBIIK-IBGZPJMESA-N 370.518 4.051 0 40 FIAB C/C(=C\C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)c1ccccc1F 98055232 VGGGNYIAYZFLKP-FBRRREGBSA-N 367.399 4.007 0 40 FIAB Cc1cc(CN2CCN(Cc3ccccc3)CC2)ccc1Br 199737705 KCKBITUHBYKWOM-UHFFFAOYSA-N 359.311 4.075 0 40 FIAB CC(C)C(NC(=O)COc1ccc(Br)cc1Cl)C(C)C 218943230 UNJAENNHKUIIQQ-UHFFFAOYSA-N 362.695 4.278 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCN(C)c1ccccc1 219346946 QTQMMPDGOSEDII-JOCHJYFZSA-N 362.473 4.250 0 40 FIAB COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)ccc1OC(C)C 219541058 BOJLZAWIMNPGAT-QGZVFWFLSA-N 371.477 4.183 0 40 FIAB Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219685646 NFEKXNDFHSPOHR-KBPBESRZSA-N 362.267 4.402 0 40 FIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 224351795 QYWLPCDPVZTKBI-PMACEKPBSA-N 362.502 4.160 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccnc(-c2ccco2)c1 225657009 WIZCOTGYXVGIRM-UHFFFAOYSA-N 360.335 4.219 0 40 FIAB COc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1Cl 225853607 POUFOOWBMOPBFW-UHFFFAOYSA-N 361.898 4.500 0 40 FIAB Cc1c[nH]nc1[C@@H]1CCCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257328433 XFPMORLUVMBCCP-SFHVURJKSA-N 365.433 4.404 0 40 FIAB CCCCCC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(C(F)(F)F)C1 408734063 GVUKHATXKKDFFF-OAHLLOKOSA-N 362.779 4.373 0 40 FIAB Cc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 408964652 XNPOEIWGJFLMOG-UHFFFAOYSA-N 366.392 4.004 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(Cl)cc1 409084189 BVLGRWBXZSXVLI-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB CC(C)c1nc(C2(NC(=O)c3nccc4ccsc34)CCCC2)no1 625982610 JBOVMWAXHLVHSQ-UHFFFAOYSA-N 356.451 4.002 0 40 FIAB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)NCc2ncc(C(C)(C)C)o2)cc1 673777670 UBNRIACJHOSGCB-QFBILLFUSA-N 371.481 4.000 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2F)nc1)c1onc2c1CCCC2 1615613165 QWOUHSVSCQIBFF-UHFFFAOYSA-N 353.353 4.132 0 40 FIAB Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NC(C)C)CC[C@]3(C)C1(C)C 703818 DFBZDTHKHYLLKA-FCHUYYIVSA-N 351.494 4.100 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)c1 925347 XPUOXRAWPZYZHX-UHFFFAOYSA-N 357.866 4.419 0 40 FIAB Cn1nc(C(F)(F)F)c(COC(=O)C2CC2)c1Sc1ccc(F)cc1 1391498 SHDWVGSIFIDBTL-UHFFFAOYSA-N 374.359 4.182 0 40 FIAB Cc1cc(C)nc(NC(=O)[C@H](C)n2c(C(F)(F)F)nc3ccccc32)c1 1399291 MRFSTRVKICGKHO-LBPRGKRZSA-N 362.355 4.267 0 40 FIAB O=C(O)CC1(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CCCC1 1424527 BPKGDJAOSNWZPG-UHFFFAOYSA-N 365.429 4.281 0 40 FIAB COCc1cc(OC)c(OC)cc1NC(=O)c1cc(F)c(F)cc1Cl 1426239 OFDOMMKLPSRDGN-UHFFFAOYSA-N 371.767 4.034 0 40 FIAB CCCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OCC 2080968 RUJYODNOAYCGQA-ATVHPVEESA-N 369.392 4.358 0 40 FIAB CSc1ccccc1C(=O)Nc1cccc(I)c1 2654301 JKJOMNHIHVMWDV-UHFFFAOYSA-N 369.227 4.265 0 40 FIAB Cc1c(CNC(=O)c2sc3cc(Cl)ccc3c2Cl)cnn1C 2769565 BRTWWOKPXZLARJ-UHFFFAOYSA-N 354.262 4.180 0 40 FIAB Cc1cc(OCn2ccc(C(=O)Nc3ccccc3C)n2)ccc1Cl 2796598 GEXPBRHPPULCTH-UHFFFAOYSA-N 355.825 4.442 0 40 FIAB CCOc1ccc2nc(SCC(=O)N3CCCCCC3)sc2c1 3239115 HLJJVTTYOGIDPG-UHFFFAOYSA-N 350.509 4.190 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)/C=C/c1cccs1 3270309 POSGUIKWQXMLDJ-CSKARUKUSA-N 373.474 4.249 0 40 FIAB COc1cccc(NC(=O)[C@@H](Sc2nnc(C)s2)c2ccccc2)c1 3389042 QVJONTDDEOPZLY-INIZCTEOSA-N 371.487 4.327 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 3418345 VVRINVVDGLCQRC-LBPRGKRZSA-N 365.882 4.154 0 40 FIAB O=C1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N1 4202547 FQSSRLVFPQIRJK-JOCHJYFZSA-N 357.453 4.274 0 40 FIAB O=C(CCc1ccccc1)NC[C@H](c1ccco1)N1CCc2ccccc21 4305146 RZTBKYKQRGWYHE-OAQYLSRUSA-N 360.457 4.132 0 40 FIAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc3ccccc3o2)c1C 4332241 UEGNAIQSUZNAJN-CQSZACIVSA-N 369.417 4.098 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4731465 VBFJMQZLLRTMFC-LJQANCHMSA-N 365.408 4.416 0 40 FIAB CC1=C(C)C[C@H](C(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C(=O)O)C1 5017674 ZBXDILHDMKPLCT-PMACEKPBSA-N 363.457 4.339 0 40 FIAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)CCC2 7014864 HEKJNZUELUNOOL-UHFFFAOYSA-N 370.452 4.211 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(F)c(F)cc1Cl 8073171 XNHIBCIXQJAGCM-UHFFFAOYSA-N 353.752 4.009 0 40 FIAB CCCOC(=O)c1ccc2nc(C)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8717198 ZDTZEXREGSNIPY-CQSZACIVSA-N 356.466 4.048 0 40 FIAB CC(C)(C)c1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc2c1 12144318 NKWNUGSWLAKLER-UHFFFAOYSA-N 350.418 4.166 0 40 FIAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Cl)c1C 12444039 IRAZBWZCVPSVOI-UHFFFAOYSA-N 359.788 4.234 0 40 FIAB Cc1cccc([C@H](Nc2ccc(Br)cc2)P(=O)(O)O)c1 12526545 URVKHGHUVVNAIZ-CQSZACIVSA-N 356.156 4.046 0 40 FIAB C[C@@H]1CN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C[C@@H](C)O1 12529810 IFBSCKMRQCJRDC-HZPDHXFCSA-N 369.896 4.347 0 40 FIAB Fc1ccccc1-n1cnn(CN2CCC[C@@H]2c2ccccc2)c1=S 12537035 CBFMVGDWNNGASZ-QGZVFWFLSA-N 354.454 4.337 0 40 FIAB Cc1ccc(-c2n[nH]cc2CNCc2ccc(CN3CCCC3)cc2)cc1 12547518 LAFBDYSJOUOCAV-UHFFFAOYSA-N 360.505 4.271 0 40 FIAB C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1Cl 12734427 OVMBYUBQAOTMLE-NSHDSACASA-N 357.759 4.443 0 40 FIAB COc1ccc([C@H]2c3c([nH]c(=O)c4ccccc34)N=C3C=CC=CN32)cc1 12788428 OGLDESIEHMDDBZ-FQEVSTJZSA-N 355.397 4.055 0 40 FIAB SC1=N[C@@]2(CCS1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 13635980 LZYZYGLFWUPFCS-QFBILLFUSA-N 367.499 4.307 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14022851 JXVKFAUEPAZGOT-LJQANCHMSA-N 368.477 4.319 0 40 FIAB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)co1 15108685 ZWNBJOVIGQXMDO-UHFFFAOYSA-N 363.417 4.159 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 16124992 KFDNVEPGXAWTMU-UHFFFAOYSA-N 365.760 4.348 0 40 FIAB Cc1cccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)c1 17135417 GXEQAAHVOWDNIJ-UHFFFAOYSA-N 370.460 4.468 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(N2CCCC2=O)c1 18076780 XVGCXLFNSLNTIU-UHFFFAOYSA-N 372.896 4.165 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1nnc(-c2ccccc2)s1 18702779 VWBATHMRWXHUNX-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB CCN(C(C)=O)[C@H]1CN(C(=O)c2cc3ccccc3o2)C2(CCCCC2)C1 19703827 GREKOBQILSGDOR-GOSISDBHSA-N 368.477 4.219 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2ccc3c(c2)ncn3C2CC2)c2ccccc2O1 19714301 STIIEYTWTXSAQQ-GOSISDBHSA-N 361.445 4.403 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(F)cc1)CO3 19890902 ZKOIUHJCVVRQKC-UHFFFAOYSA-N 367.420 4.198 0 40 FIAB biogenic S=c1sc2ccccc2n1CN1CCN(Cc2ccccc2)CC1 19924500 BQOFIHKBQDUWDE-UHFFFAOYSA-N 355.532 4.208 0 40 FIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccnc1Cl 20143558 NGFLCUJSMSULAW-UHFFFAOYSA-N 363.200 4.393 0 40 FIAB COc1cc(C(=O)Nc2ccccc2SC(F)F)cc2c1OCCO2 21706175 FTXMUGOOFYMZDP-UHFFFAOYSA-N 367.373 4.033 0 40 FIAB O=S(=O)(Cc1c(Cl)cccc1Cl)N[C@@H]1CCCc2ccccc21 22530098 MEOWMYXKYGURNV-QGZVFWFLSA-N 370.301 4.490 0 40 FIAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)c1 22689011 YJARTKCMLSPWMY-UHFFFAOYSA-N 358.401 4.117 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)c1 22904642 ZQPRYVYQCZNJBT-HUUCEWRRSA-N 359.491 4.203 0 40 FIAB Cc1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCC2)cc1C 27664233 ARXCUYVAEZHGGX-LJQANCHMSA-N 372.534 4.087 0 40 FIAB CC1CCN(Cc2ccc(CNC(=O)/C=C/c3cccs3)cc2)CC1 29341660 CIVCHKXQEBNLJY-CMDGGOBGSA-N 354.519 4.310 0 40 FIAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3C(C)(C)C)C(=O)N2C 32092965 LXDBDWSSMXCBRP-OAQYLSRUSA-N 366.465 4.016 0 40 FIAB CCn1c(NC(=O)c2csc(-c3ccc(C)o3)n2)nc2ccccc21 33160740 YWOHFVWXDZAKCQ-UHFFFAOYSA-N 352.419 4.333 0 40 FIAB FC(F)(F)c1nn2c(Cc3c(Cl)cccc3Cl)nnc2s1 36358940 XUEHOKNCAFZNRH-UHFFFAOYSA-N 353.156 4.102 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCCn3nccc3C)n2)s1 36618664 RDZKAVIIQZVSOV-UHFFFAOYSA-N 367.400 4.149 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)cc1OC 40067043 NFKPRAQEEUXTGZ-QGZVFWFLSA-N 365.433 4.091 0 40 FIAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1 40122292 PGVZVPLYUCPYKE-NRFANRHFSA-N 368.521 4.113 0 40 FIAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)CCO3)s1 43277887 WJKMIQVCWQDEJE-UHFFFAOYSA-N 367.518 4.280 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)ccc1C 44903089 LGJWKIZEEMEESZ-SFHVURJKSA-N 355.434 4.276 0 40 FIAB O=C(NCCCSc1ccc(F)cc1)Nc1ccc(N2CCCC2)nc1 48342320 KINUMVAGFFFHLM-UHFFFAOYSA-N 374.485 4.125 0 40 FIAB COc1cccc(-c2n[nH]cc2-c2nc(-c3ccc(Cl)cc3)no2)c1 49002300 WZUHPGAKIDOLCM-UHFFFAOYSA-N 352.781 4.456 0 40 FIAB Cc1csc(N(C(=O)Cc2ccc3c(c2)CCO3)c2ccccc2)n1 54582697 DJQBYJXSYJTZOG-UHFFFAOYSA-N 350.443 4.294 0 40 FIAB CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN(Cc1ccccc1)CO3 54959693 KJDMGFHDIJWLEF-UHFFFAOYSA-N 364.445 4.016 0 40 FIAB O=c1oc2c3c(ccc2c2c1CCCCC2)OCN(Cc1ccco1)C3 55393776 CTRIPEIVIHJKMO-UHFFFAOYSA-N 351.402 4.007 0 40 FIAB O=C(c1cccc(OCc2ccc(F)cc2)c1)N1CCOc2ccccc21 58356189 FNEFYHSDNARRFN-UHFFFAOYSA-N 363.388 4.444 0 40 FIAB Cc1nc(C2(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)CCCCC2)no1 58403066 BKHGGOMKNYNYGT-GJZGRUSLSA-N 359.857 4.111 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccc(C)s2)c1 71819680 MNEWWYYVERYNKW-UONOGXRCSA-N 359.495 4.479 0 40 FIAB CC(=O)O[C@H]1[C@@H](c2ccccc2)CC[C@H](c2ccccc2)[C@H]1OC(C)=O 72320221 FUSHLLXGTXLRMJ-YSFYHYPLSA-N 352.430 4.211 0 40 FIAB biogenic,in-vitro CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)[nH]n2)cc1 72331557 NMIIAPVHFNTDDB-UHFFFAOYSA-N 367.424 4.325 0 40 FIAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 72349108 ZSCAEFBRKQXXKB-NRFANRHFSA-N 371.484 4.396 0 40 FIAB CCCn1nc(C)c(-c2cncn2C[C@H](c2ccc(C)cc2)N(C)C)c1C 72391892 UFBHZPNHWBDCPV-OAQYLSRUSA-N 365.525 4.385 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1 72427545 FOMJQXYYGFIAQV-UHFFFAOYSA-N 351.406 4.050 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(C(F)(F)F)nc1 79493025 MEMPIGFFWXJDIE-UHFFFAOYSA-N 361.323 4.327 0 40 FIAB Cc1csc(SCC2CCN(C(=O)NCc3cccs3)CC2)n1 90608143 QQZYKWUPTTVINH-UHFFFAOYSA-N 367.565 4.227 0 40 FIAB COc1ccc(C)nc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 95963059 OQRAFEZNBPAJDL-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB Fc1ccc(CN2CCC3(CC2)CCN(Cc2nccs2)CC3)cc1 96047217 UTENQPMMDXTSPQ-UHFFFAOYSA-N 359.514 4.160 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCCCN(C)c2ccccc2)ccc1Cl 222858775 FYVAAIPASKBFET-INIZCTEOSA-N 360.885 4.058 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 223596670 RKSWAUVWBJHNHS-CYBMUJFWSA-N 365.524 4.309 0 40 FIAB CCOCCCNC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225268432 KNPGKWSYVWNPHG-UHFFFAOYSA-N 357.841 4.040 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c1 225538514 LEYAIGIQSFDTQP-HNNXBMFYSA-N 355.507 4.053 0 40 FIAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(F)c(Cl)c1 225793866 INBDXDKTFDPWDY-UHFFFAOYSA-N 355.800 4.421 0 40 FIAB C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)Cc1ccc(Cl)cc1 226253812 GDPZRYIIESQYGH-CQSZACIVSA-N 357.885 4.482 0 40 FIAB O=C(CSc1ccc(F)cc1)NCc1ccnc(-c2cccs2)c1 244955804 GAKDDZGIQYHCSE-UHFFFAOYSA-N 358.463 4.358 0 40 FIAB COc1ccccc1C(=O)NC(=S)Nc1nc2c(C)cc(C)cc2s1 408627204 LGEGLGNMFUHYCX-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB Cc1cc(N2C[C@H](c3ccccc3C)OC[C@H]2C)nc(-c2ccccn2)n1 674066555 QGBAFLKAZAZQJP-YLJYHZDGSA-N 360.461 4.122 0 40 FIAB Cc1cncc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615121414 DITAZAUKHHTBQZ-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 639792 RDSBHLQSBVXSMT-HNNXBMFYSA-N 356.491 4.253 0 40 FIAB COC(=O)c1sccc1NC(=O)/C=C/c1c(Cl)cccc1Cl 652221 WFJSYTNCVIRTKT-AATRIKPKSA-N 356.230 4.493 0 40 FIAB Cc1ccc2cc3c(N)c(C(=O)Nc4nc(C)cs4)sc3nc2c1 1342843 UOZJPIVFZPMZAA-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB COc1cccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1OC 2308329 GTBWNOMRRGHYDR-AQTBWJFISA-N 359.381 4.202 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 2636647 QSXPSINVHUWJSZ-UHFFFAOYSA-N 350.418 4.016 0 40 FIAB CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3196602 LRZSLYIVNRMENC-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB Cc1ccc(C)c(C(=O)COC(=O)Cc2ccc(Br)cc2)c1 3363095 RSNRAIUIKCYBRY-UHFFFAOYSA-N 361.235 4.035 0 40 FIAB Cc1sc2ncnc(S[C@H](C)C(=O)N(C)c3ccccc3)c2c1C 3495382 VWUPNUCLNYCFSZ-CYBMUJFWSA-N 357.504 4.452 0 40 FIAB CC[C@H](C(=O)N[C@@H](CC(=O)O)c1ccc(OC(C)C)cc1)c1ccccc1 3624672 MYIWNIXDOMVDLE-PMACEKPBSA-N 369.461 4.300 0 40 FIAB CCSc1nnc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)s1 4072039 OKFREZMALSCBAK-UHFFFAOYSA-N 369.471 4.133 0 40 FIAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(Oc2ccccc2)cc1 4121568 BKYHEJNSGBLNQA-UHFFFAOYSA-N 374.396 4.416 0 40 FIAB CC(C)COc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4695033 XJLRGDXITJXRBP-UHFFFAOYSA-N 353.447 4.492 0 40 FIAB O=C1[C@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=O)N1c1ccc(F)cc1 4704076 CMDSZHUGNGVCHB-GDBMZVCRSA-N 362.813 4.062 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4cccs4)nnc3s2)cc1OC 4770873 OJGJSZNEXFMYGV-SOFGYWHQSA-N 370.459 4.102 0 40 FIAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCCC 4952516 QUXPHQOBHNOCRM-IBGZPJMESA-N 374.481 4.227 0 40 FIAB CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(NN)c23)CO1 5068793 LLHKLZKUQWCGFE-UHFFFAOYSA-N 372.519 4.121 0 40 FIAB Cc1cc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c2ccccc2n1 5355611 LTJOKJLWRBDACF-AWEZNQCLSA-N 358.397 4.453 0 40 FIAB COc1cccc(CNC(=O)COc2ccc(Cl)c3ccccc23)c1 5938394 XMWQFFAAPFIJLG-UHFFFAOYSA-N 355.821 4.197 0 40 FIAB Cc1ccc2nc([C@@H]3CCCN(C(=S)NCc4ccccc4)C3)[nH]c2c1 5988485 YEWSRHQSULAMOK-QGZVFWFLSA-N 364.518 4.125 0 40 FIAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 6238538 BHHMTTCRBHCDSC-UHFFFAOYSA-N 371.487 4.294 0 40 FIAB CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1 6356370 FNEMWLQVZWETND-UHFFFAOYSA-N 366.442 4.396 0 40 FIAB CCOc1ccc(NC(=O)Cn2ccc3cc(Br)ccc32)cc1 6630826 BXUQFPCWCVEJFG-UHFFFAOYSA-N 373.250 4.441 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1cc(C)ccc1C 7425405 WJBYBFGDSCMDNG-UHFFFAOYSA-N 365.477 4.101 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3ccccc3)no2)c1 7718636 CXYJHWVPEQKKKJ-GOSISDBHSA-N 365.433 4.091 0 40 FIAB Cc1ccc(-c2csc3ncnc(S[C@H]4C[C@H](C)OC4=O)c23)cc1 8271071 JHRCTBRNKRCGBM-FZMZJTMJSA-N 356.472 4.463 0 40 FIAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 8772131 YAVLOBHEXJVRLI-CYBMUJFWSA-N 365.458 4.260 0 40 FIAB COc1ccc2cc(CNC(=O)N3CCC[C@H](C(F)(F)F)C3)ccc2c1 10495387 PISPBCVTPXSDDJ-INIZCTEOSA-N 366.383 4.332 0 40 FIAB C[C@H](Sc1nc(Cc2cccs2)n[nH]1)C(=O)c1c[nH]c2ccccc12 11601963 LUQXWCAJTMNPLB-NSHDSACASA-N 368.487 4.302 0 40 FIAB Cc1c(C(=O)N(C)Cc2nc3cc(Cl)ccc3[nH]2)[nH]c2ccccc12 12147538 JJEKEXZWXAPHEA-UHFFFAOYSA-N 352.825 4.278 0 40 FIAB Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccccc4F)no3)CC2=O)c1 12414358 KLGBKEYREMKBPP-AWEZNQCLSA-N 351.381 4.013 0 40 FIAB Cc1nc2cc(N[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)ccc2o1 12532769 MBKBILBKYGFTOW-SECBINFHSA-N 354.435 4.224 0 40 FIAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc3c2cnn3C)c(C)c1 13286741 AJNUACNRVJFJTC-GASCZTMLSA-N 364.497 4.206 0 40 FIAB O=C(Cc1csc(-c2ccccn2)n1)NCC12CC3CC(CC(C3)C1)C2 14076311 LKCAXPVOWAUNSF-UHFFFAOYSA-N 367.518 4.080 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)o1 14093960 XDJKTGFDQZPHKI-TZMCWYRMSA-N 371.462 4.039 0 40 FIAB COc1ccc2oc(C(=O)Nc3cc4c(cc3Cl)OCO4)c(C)c2c1 14198316 LYWVJSZALCMPNW-UHFFFAOYSA-N 359.765 4.384 0 40 FIAB Cc1cc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc2cc1Cl 14257990 SHGNTSSURNALEP-UHFFFAOYSA-N 360.822 4.282 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)c1 15372985 LEVVZVWHDMLXJN-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB Cc1ccc([C@H]2[C@H](NCc3ccccc3)CCCN2C(=O)C2CC2)s1 19217365 PAVJZFKITDYDIL-UYAOXDASSA-N 354.519 4.288 0 40 FIAB Cn1c(SCc2ccccc2)nnc1[C@@H]1CCCN(Cc2ccco2)C1 19289298 GSSHBFNXPRRFCN-QGZVFWFLSA-N 368.506 4.080 0 40 FIAB Cc1cccc([C@H]2CC(=O)c3c(C)nn(-c4nc5ccccc5[nH]4)c3C2)c1 19817371 DSNVMGMFHCPSHI-MRXNPFEDSA-N 356.429 4.278 0 40 FIAB Cc1cc(NCC(=O)Nc2ccc(Cl)cc2)ccc1Br 20546402 WWYGBFGOTCBSPZ-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cccnc1 22131431 QBCWJSZHBYOGLS-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB CC(C)c1cccc(N2C[C@@H](C(=O)N[C@@H](C)c3cccs3)CC2=O)c1 23016391 NHHLHTJKNONAOC-HOCLYGCPSA-N 356.491 4.102 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccccc2C(C)(C)C)c1 23952626 FPTBNMGQBJGTIR-HNNXBMFYSA-N 371.477 4.258 0 40 FIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1ccc(F)cc1 25538664 GJYNGOADFJMTNY-LNYGYFNRSA-N 361.420 4.388 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 27445632 WDWYPHLWBSUQJG-CYBMUJFWSA-N 357.837 4.022 0 40 FIAB COc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 27749553 VYMTWIJEVSEEQQ-QGZVFWFLSA-N 358.507 4.104 0 40 FIAB Cc1cc(C(F)F)nc2sc(C(=O)NCc3cccc(F)c3)c(N)c12 28632032 UNQWNFPQEZWUDV-UHFFFAOYSA-N 365.380 4.194 0 40 FIAB CC1CCN(Cc2ccc(CNC(=O)c3c(F)cccc3F)cc2)CC1 29358829 NAPZUZQCPOAKFN-UHFFFAOYSA-N 358.432 4.127 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCc1c[nH]c2ccccc12 29571175 SYNCWNBEMGMYHE-UHFFFAOYSA-N 359.429 4.033 0 40 FIAB COc1ccc(-c2nc(COc3cccc(C(F)(F)F)c3)no2)cc1 31679969 XEIFMIXHLKAKDK-UHFFFAOYSA-N 350.296 4.343 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 32462213 WSBHIBDGBDCDTK-INIZCTEOSA-N 372.896 4.020 0 40 FIAB O=C(Nc1cccc2c1CCCC2)c1nc2ccccc2nc1N1CCCC1 32642855 PNTOKACIUNAUQC-UHFFFAOYSA-N 372.472 4.361 0 40 FIAB CN(Cc1ccsc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 32795372 SDYGKFZXMDVXAE-UHFFFAOYSA-N 358.385 4.031 0 40 FIAB CCOc1ncccc1CNC(=O)CCc1cccc(Cl)c1Cl 32924561 FUPASDIBGWMLHT-UHFFFAOYSA-N 353.249 4.036 0 40 FIAB Cc1ccc(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)CC2)c(C)c1 35848049 ZRQSWDLYSHHMIA-UHFFFAOYSA-N 361.489 4.098 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@H](C)c1cc(C)sc1C 40080956 FLNSQQFGTRYYPL-OCCSQVGLSA-N 354.475 4.057 0 40 FIAB O=C(Cn1ccc2c(Br)cccc21)Nc1ccc(Cl)cn1 40287722 VOJXJZZASMAWFL-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB CN(Cc1cccs1)C(=O)Nc1ccccc1I 43157854 VVPVASVJIBIWOJ-UHFFFAOYSA-N 372.231 4.017 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1 44901356 REVUKKSZHVBLJU-DHZHZOJOSA-N 351.837 4.164 0 40 FIAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NC4CCCC4)ccc32)cc1 46078505 WFKGFPOPCUDEJT-UHFFFAOYSA-N 362.473 4.260 0 40 FIAB CC(C)C[C@@H](NC(=O)[C@H](C)OCc1ccccc1)c1nc2ccccc2[nH]1 48109745 RULUWPDKURFWCC-OXJNMPFZSA-N 365.477 4.372 0 40 FIAB Cc1ccccc1CN1CC[C@H](c2nnc(-c3ccc(N(C)C)cc3)o2)C1 49170240 VKGVKKITXMMNGP-IBGZPJMESA-N 362.477 4.101 0 40 FIAB biogenic,in-vitro Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc2c(C)cc(=O)oc2c1 50055303 HZFWQKADPWTCBC-UHFFFAOYSA-N 354.410 4.140 0 40 FIAB O=C(NCc1ccco1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 58172150 ONHOOTILYDUSTI-UHFFFAOYSA-N 359.401 4.259 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(C(C)C)C1CCCCC1 58197633 LXXNNLINVPUBKA-UHFFFAOYSA-N 373.541 4.054 0 40 FIAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1 61997242 ICZGNTXFEIISCY-INIZCTEOSA-N 369.804 4.435 0 40 FIAB C[C@H]1CC(C)(C)C[C@@](CO)(NCc2nc(-c3ccccc3Cl)no2)C1 72308136 ZEXBWCCNYCWSLU-DJJJIMSYSA-N 363.889 4.057 0 40 FIAB CC(=O)NCc1cnc([C@@H]2CCCN2C2CCCCC2)cc1C(F)(F)F 72355973 RBPWCKHZWDOESV-SFHVURJKSA-N 369.431 4.206 0 40 FIAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccc3)C2)c1 72358453 RZNNTOAJWDPQPI-HXUWFJFHSA-N 357.457 4.472 0 40 FIAB Cc1ccc(OCCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 72369844 CFLULRNHYUYSRU-LJQANCHMSA-N 363.461 4.303 0 40 FIAB CCCc1nc2ccccc2n1C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 84759061 GSWDGRINIUXGLP-KRWDZBQOSA-N 362.477 4.016 0 40 FIAB O=C(NCc1cccnc1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 90073728 RHUFYNLXNRTQAO-QFIPXVFZSA-N 357.457 4.133 0 40 FIAB CCCNC(=O)[C@H]1c2ccccc2C(=O)N([C@@H](C)CC)C12CCCCC2 95472070 UMVVVNFHOKRPPJ-QFBILLFUSA-N 356.510 4.254 0 40 FIAB CN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)c1ccc(F)cc1 95952981 UFIXMEDCVAFMME-UHFFFAOYSA-N 365.433 4.427 0 40 FIAB CC(=O)c1ccc(-c2ccc(/C=C(\Sc3nnc(C)o3)C(=O)O)o2)cc1 211544637 KTNAFFWGUAFLJG-SXGWCWSVSA-N 370.386 4.058 0 40 FIAB CCn1c(Cl)nc2cc(C(=O)N(Cc3cccn3C)C(C)C)ccc21 222559686 ZLYHPCBEUIRTGJ-UHFFFAOYSA-N 358.873 4.099 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OC 222902278 XZTRCRIYGFQXCR-LRFDDAOPSA-N 365.473 4.473 0 40 FIAB CCc1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 223710429 ZDPJBFZBGOZOAZ-UHFFFAOYSA-N 374.289 4.043 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)CSCc1ccccc1F 223827381 SAXXEWJMZRCJDY-UHFFFAOYSA-N 361.482 4.378 0 40 FIAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1 224084143 JESKZOCWPAPHCF-UHFFFAOYSA-N 361.441 4.247 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c1 224263984 AJUPIGIBCGDGFO-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1Cl 225547070 UCTVYFSOAKKBCD-UHFFFAOYSA-N 352.862 4.407 0 40 FIAB CCOc1ccccc1NC(=S)NCCCSCc1ccco1 225593099 BEBKQZAGCMJUBY-UHFFFAOYSA-N 350.509 4.288 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 225730722 UVDHBOBDMUIHGV-IRXDYDNUSA-N 363.571 4.128 0 40 FIAB CC[C@@H](C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1)c1ccccc1 244975072 IALABEHBFKFDSI-WOJBJXKFSA-N 360.457 4.408 0 40 FIAB O=C1C[C@]2(CC[C@@H]3[C@H](C(=O)NC4CCCCC4)[C@H]32)Oc2ccc(Cl)cc21 247848400 FRMVBKFGVPOUJI-MMCAFHBRSA-N 373.880 4.149 0 40 FIAB CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 409104507 JEVKMHPSGRWEFB-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)no1 577478605 OPALANKWPANXRH-ZIAGYGMSSA-N 373.419 4.268 0 40 FIAB Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 682793140 VYPPROXZFJRQTL-SNVBAGLBSA-N 352.356 4.445 0 40 FIAB COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1cc(Cl)nc2ccccc12 1638386772 JUTPOOYXYXVCBV-RXVVDRJESA-N 366.848 4.357 0 40 FIAB Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc3c(cc12)CCC3 2229688 SCBVKBBEKFURJG-UHFFFAOYSA-N 366.471 4.229 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)cc1C 3373416 NYFLENONWSJGGI-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB O=C(Nc1nccs1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3424945 DKVMGUHAICFFGB-UHFFFAOYSA-N 363.851 4.363 0 40 FIAB COc1ccc2[nH]cc(CCn3c(C)nc(=O)c(-c4ccccc4)c3C)c2c1 3765523 ARZHFDHDJRQJDQ-UHFFFAOYSA-N 373.456 4.260 0 40 FIAB CCOC(=O)Cc1csc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 4043871 OPKKPTPDBVEFKQ-UHFFFAOYSA-N 366.442 4.168 0 40 FIAB COc1ccc(-c2cc(C)nc(SCc3cccc(C(=O)O)c3)n2)cc1 5051171 ZRZQNERIOLEQBV-UHFFFAOYSA-N 366.442 4.451 0 40 FIAB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 5080165 PPYFJFJZNPHCPV-UHFFFAOYSA-N 369.392 4.119 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)C1=NN(c2ccccc2)C(=O)CC1 5451803 YYFMUTIMUMXOTL-UHFFFAOYSA-N 362.216 4.115 0 40 FIAB COc1cccc(NC(=O)COc2ccc(C3SCCS3)cc2)c1 5584263 PYUVBWPZFURSII-UHFFFAOYSA-N 361.488 4.191 0 40 FIAB Cc1nc(Oc2ccc(-c3nnco3)cc2)c2c3c(sc2n1)CCC3 5958327 MMDLGWXHOGTLLN-UHFFFAOYSA-N 350.403 4.331 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc(F)c1 6506881 AFYYLGCLXBVGPZ-FQEVSTJZSA-N 359.404 4.416 0 40 FIAB Cc1nc(NC(=O)c2ccc(Br)cc2)ccc1Br 6571279 ROEZDIXTCARQDE-UHFFFAOYSA-N 370.044 4.167 0 40 FIAB COC(=O)c1cccc(COC(=O)c2cc(SC)ccc2Cl)c1 6611002 NFCMGRYSNVJIKT-UHFFFAOYSA-N 350.823 4.206 0 40 FIAB COc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 6833740 YQXKBPRKXZKWTN-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB Clc1ccc(-c2noc(CSc3nnc(NC4CC4)s3)n2)cc1 7577719 WUNMSUOBOQQYOY-UHFFFAOYSA-N 365.871 4.108 0 40 FIAB CCOc1ccccc1NC(=O)c1ccc(OCc2cscn2)cc1 7807472 ULRRJKMZKWBFES-UHFFFAOYSA-N 354.431 4.373 0 40 FIAB Fc1ccc(OCc2nnc3sc(CCCc4ccccc4)nn23)cc1 8393409 GBYIBXGPSREGPV-UHFFFAOYSA-N 368.437 4.079 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N(CC)CC 8480809 SSCCFBPJRDBIIL-SFHVURJKSA-N 372.440 4.104 0 40 FIAB COC(=O)[C@@H](Sc1nncn1-c1ccc(C)c(Cl)c1)c1ccccc1 9367904 QAKPDLRXSKYRBK-INIZCTEOSA-N 373.865 4.236 0 40 FIAB CCC(C)(C)c1nnc(NC(=O)c2ccc(SC)cc2OC)s1 9698645 YBULHXMPBLDCHZ-UHFFFAOYSA-N 351.497 4.209 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cccc(C)c3)CC2)cc1 9984442 WOYWPXBPQNYSAU-IZZDOVSWSA-N 363.457 4.138 0 40 FIAB Cc1c(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)sc2ccccc12 10969341 KSCSQHGPIOPAQA-CYBMUJFWSA-N 373.499 4.104 0 40 FIAB Cc1cc(-c2cnc(NC[C@H]3CCCO3)nc2-c2sccc2C)on1 12155283 GQADIIQRHRLMBA-CYBMUJFWSA-N 356.451 4.068 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)N[C@@H](c1cccs1)C1CC1 12736680 YQHBAKJYNFUGFP-HXUWFJFHSA-N 369.534 4.294 0 40 FIAB CN(Cc1cccc(Cl)c1)C(=O)c1cc(Br)ccc1O 12806814 OHZGKWZHCNYKDJ-UHFFFAOYSA-N 354.631 4.080 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(/C=C/C(=O)O)cc1 12813782 NCXNKVJMWYAFDF-RUDMXATFSA-N 350.349 4.032 0 40 FIAB O=S(=O)(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(F)cc1 12878967 IHRLZSZSEPCRCQ-KRWDZBQOSA-N 365.426 4.094 0 40 FIAB CCCn1ncc(C(=O)N2CCCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1C 19525878 SNLKNBYYZGXUAG-LJQANCHMSA-N 365.481 4.154 0 40 FIAB CCOc1cc(CN[C@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCC 19872013 GPNXIOHGRPOPIQ-KUHUBIRLSA-N 363.885 4.349 0 40 FIAB Cc1cc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)no1 20096348 CCRFIEPBMLYKTD-UHFFFAOYSA-N 364.430 4.404 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20141496 GLYSLIIOYSAXGV-UHFFFAOYSA-N 351.402 4.480 0 40 FIAB CC[C@@H](C)n1nc(NC(=O)CCCC(=O)O)c2cc3cc(C)ccc3nc21 21596606 BXBXKQMDATVUNH-CYBMUJFWSA-N 368.437 4.057 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1cccc(Cl)c1 21598592 JELVNCFTFQEZAW-NSHDSACASA-N 361.854 4.262 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)OC 22509238 JHKJLBZMQPOZBJ-LJQANCHMSA-N 363.413 4.423 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)c2c[nH]c3ccccc23)c1 22714259 IYJKNWNHWSRTMJ-UHFFFAOYSA-N 363.442 4.337 0 40 FIAB S=c1n(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2ccccn12 24001902 NKMCVSQWVZLAJM-CQSZACIVSA-N 367.503 4.270 0 40 FIAB CC(C)CCCNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 25328363 FEVVUPBUKUEXFT-AWEZNQCLSA-N 374.428 4.061 0 40 FIAB CCOc1ccccc1C(=O)N(Cc1ccccc1F)c1ccccn1 27992350 UMQDVFCWSRPKHO-UHFFFAOYSA-N 350.393 4.466 0 40 FIAB CSc1ncc(Cl)c(C(=O)Nc2ccc3oc(C4CC4)nc3c2)n1 32818733 REHNOGYZGXZCKZ-UHFFFAOYSA-N 360.826 4.123 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1Cn1ccnc1 32859987 LWHSTDHLSLKGAY-UHFFFAOYSA-N 374.271 4.097 0 40 FIAB C[C@@H](NC(=O)CCc1nc(Cc2ccccc2)no1)c1cccc(Cl)c1 36397891 HWNXZWMRJVPXOG-CQSZACIVSA-N 369.852 4.124 0 40 FIAB CCCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)c(OC)c1 40096251 MRTKHVHYPGDYEN-UHFFFAOYSA-N 358.438 4.157 0 40 FIAB FC(F)(F)c1ccc(Oc2cccc(I)c2)nc1 42205550 FHJGAVOFWXBKQS-UHFFFAOYSA-N 365.092 4.497 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)NCCCc2ccccc2Cl)cc1 44906301 URGKOYIKENLXDG-UHFFFAOYSA-N 367.880 4.256 0 40 FIAB O=C(CCc1ccc(F)c(F)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 46328233 ZWAZOVKXHTZWHI-UHFFFAOYSA-N 367.399 4.090 0 40 FIAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3oc4ccccc4c3C)c2)n1 47317868 XYPAXINPGSVPLJ-UHFFFAOYSA-N 359.385 4.052 0 40 FIAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1OC(F)F 47957556 QEDTXLYCTAVBKX-HNNXBMFYSA-N 365.351 4.413 0 40 FIAB C[C@]1(c2ccccc2)NC(=O)N(Cc2csc(C3CCCCC3)n2)C1=O 48310402 MDMZDSLMMQNOBT-HXUWFJFHSA-N 369.490 4.158 0 40 FIAB CSCc1nnc(SCc2ccc(OCc3cccnc3)cc2)o1 48354514 BSWUZGUUXWLYOJ-UHFFFAOYSA-N 359.476 4.199 0 40 FIAB CC(C)(C)c1nnc(CN2CCC[C@H]2c2ccc(Br)cc2)o1 52453099 OLGZNYJOHHXWOP-AWEZNQCLSA-N 364.287 4.467 0 40 FIAB CC(=O)Nc1cccc(-n2cnnc2S[C@@H](C)c2cccc(F)c2)c1 56283685 ATLKTSZKLKAHCG-LBPRGKRZSA-N 356.426 4.218 0 40 FIAB Cc1cn2c(CNCCc3ccc(N4CCCCC4)cc3)c(C)nc2s1 58015640 SULAEFLLNOWDTE-UHFFFAOYSA-N 368.550 4.335 0 40 FIAB Cc1nc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)oc1C 58167816 PKHXIEDYKMKKOG-UHFFFAOYSA-N 353.350 4.235 0 40 FIAB Cc1cn2cc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)ccc2n1 58405475 BMDTVICYFPJFDO-UHFFFAOYSA-N 352.781 4.203 0 40 FIAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCc1ccccc1N1CCCC1 60408498 DBMIYSMPXPNYRG-UHFFFAOYSA-N 366.509 4.046 0 40 FIAB COc1cccc(Cc2cccc([C@H]3CCCN3Cc3ccccn3)n2)c1 72357716 VAOYJMSLVMIQME-HSZRJFAPSA-N 359.473 4.413 0 40 FIAB COc1ccc(-c2n[nH]cc2CNc2ccccc2Br)cc1 95456304 DBAOQJKJRJPRHU-UHFFFAOYSA-N 358.239 4.460 0 40 FIAB CN(CCCN[C@@H](CCc1ccccc1)C(F)(F)F)CC(F)(F)F 95462778 VYOOCGLHLKNXGF-AWEZNQCLSA-N 356.354 4.024 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Sc1ccccc1 96246900 VGOLJJOZZKPTKO-ZDUSSCGKSA-N 373.503 4.327 0 40 FIAB CC[C@@](Cl)(C(=O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC 96518427 FBJCMDYDFAZDNV-SFHVURJKSA-N 350.867 4.316 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)ccc1Br 218823989 IXSDXTGWCWLLBT-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB CCCOc1ccccc1CCCNC(=O)COc1cc(C)ccc1C 218951353 JNGSUNXPHASHDR-UHFFFAOYSA-N 355.478 4.220 0 40 FIAB COc1cccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219306459 VKDTWKZDSIVVEH-BEFAXECRSA-N 369.461 4.190 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)c(C)c1 219539818 HQXDOJKECRDLKD-LJQANCHMSA-N 366.505 4.030 0 40 FIAB CCOc1ccc(CNC(=O)CCc2ccccc2Cl)cc1OCC 220014294 OUIQZKOOFKNVQN-UHFFFAOYSA-N 361.869 4.386 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1 222864947 VSQAPUHGVAEMOW-HXUWFJFHSA-N 355.478 4.382 0 40 FIAB CCc1ccc(OCCNC(=O)CSCc2ccccc2Cl)cc1 223403411 CFWVOJMBDPAZFO-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCC2)cc1 223773565 SUGXJVDWGPGJCO-UHFFFAOYSA-N 366.505 4.215 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)C)c1 223794858 OWZXZEWWXTUMLQ-GOSISDBHSA-N 355.478 4.389 0 40 FIAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)c(Cl)c2)cc1 225265439 ZFVUQDWPIUJMNJ-ZDUSSCGKSA-N 364.898 4.411 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C 225572306 IHIZTZUKBYPVHR-UHFFFAOYSA-N 357.425 4.220 0 40 FIAB Cc1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1Cl 225727942 HNCNYFWDKYSEIK-ZIAGYGMSSA-N 353.963 4.303 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225799852 MAJZYIRKLCMFCE-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB NC(=O)c1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 226236731 WKRLLRLCPKSHHR-UHFFFAOYSA-N 366.218 4.245 0 40 FIAB CC(C)COc1ccc(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 408708703 LEEASELVVAFYIT-UHFFFAOYSA-N 368.477 4.100 0 40 FIAB O=C(OCc1ccc(I)cc1)c1ccccc1Cl 409206618 YLHJBODEKNLBTP-UHFFFAOYSA-N 372.589 4.302 0 40 FIAB O=C(CCc1ccccc1C(=O)O)N[C@H](Cc1ccccc1)c1ccccc1 553934793 KNOQGTPETSTXPM-JOCHJYFZSA-N 373.452 4.418 0 40 FIAB C[C@H]1CN(c2cc(F)cc(NC(=O)[C@H](C)c3ccsc3)c2)C[C@@H](C)O1 569609583 TWWHQAZIUFTHDX-HZSPNIEDSA-N 362.470 4.243 0 40 FIAB COC(=O)[C@@H]1CN(C(=O)Nc2cccc(C(C)(F)F)c2)Cc2ccccc21 599782266 OFFHQCWWEJMACZ-QGZVFWFLSA-N 374.387 4.103 0 40 FIAB CC(C)c1csc([C@H]2CCCN([C@H](C(=O)O)c3ccccc3F)C2)n1 652424890 JYPUQIOMFHOTQD-GUYCJALGSA-N 362.470 4.411 0 40 FIAB CC(C)n1ncc2c1C[C@H](NC(=O)N1CCCC3(CCCC3)CC1)CC2 664738343 DLMCDBXLTPDMND-GOSISDBHSA-N 358.530 4.077 0 40 FIAB CC(C)Cc1ccc([C@H](C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1534167543 XNBSTTMGTFJOMM-KRWDZBQOSA-N 374.525 4.068 0 40 FIAB CC(C)[C](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 1560408763 PNFQHVNTJKWRQC-UHFFFAOYSA-N 352.410 4.188 0 40 FIAB CN1CCCN(Cc2cc(O)cc(C(F)(F)F)c2)c2ccc(F)cc21 1621370454 VWPKGDGMBCFYSP-UHFFFAOYSA-N 354.347 4.397 0 40 FIAB COc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966862 IOKVIILEPWEOJR-SFHVURJKSA-N 368.458 4.279 0 40 FIAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(N(C)C)cc1 948636 OYBBOSPSQLJTNI-UHFFFAOYSA-N 365.433 4.230 0 40 FIAB O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccc(Cl)cc1 1294399 OVOXEONTBJTTDD-UHFFFAOYSA-N 357.822 4.301 0 40 FIAB Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)cc1 1363481 LOQRBMDMBVNLAA-KRWDZBQOSA-N 365.408 4.204 0 40 FIAB COc1cc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(C)C 1441824 IOAQZKGLQQJEBO-GOSISDBHSA-N 372.490 4.277 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OCC)cc2)cc1 1753030 DPDQWRGMCIXKBB-UHFFFAOYSA-N 370.405 4.074 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc2ccccc2cc1O 3293992 WBCQXBKVGQWUMJ-UHFFFAOYSA-N 359.381 4.375 0 40 FIAB O=C(CCc1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 3323255 IDSCLXGSZHAPFU-QGZVFWFLSA-N 366.486 4.441 0 40 FIAB O=C(NN1CCCCC1)c1oc2ccccc2c1COc1ccccc1 3352728 CEUJVEUMUBCETN-UHFFFAOYSA-N 350.418 4.143 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1csc2ccccc12)C(=O)O 4241229 VHTJAARWOIEFMD-IBGZPJMESA-N 361.463 4.298 0 40 FIAB Cc1nc(SCC(=O)NCc2ccc(F)cc2)n(C2CCCC2)c1C 5090002 GAIQLXZVOOSIRN-UHFFFAOYSA-N 361.486 4.163 0 40 FIAB CCOc1ccc(C2=Nn3c(nnc3-c3cccc(C)c3)SC2)cc1 5092968 MVGOLCPTMUPTJD-UHFFFAOYSA-N 350.447 4.010 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1cc2ccccc2o1 5244514 LFYPGBNZELJKSG-UHFFFAOYSA-N 361.353 4.436 0 40 FIAB Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1C1CC1 5831025 OYCABGQPWPBEAD-UHFFFAOYSA-N 367.779 4.411 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)CNC(=O)C3CCCCC3)cc2)cc1 5938389 KCFNDWHVCRMKLF-UHFFFAOYSA-N 366.461 4.422 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 6365205 QTWXIRWFIJPLPI-UHFFFAOYSA-N 360.870 4.466 0 40 FIAB Cn1c(SCc2csc(-c3ccccc3)n2)nnc1C(F)(F)F 6945571 YSCUZCMJKRZGAM-UHFFFAOYSA-N 356.398 4.250 0 40 FIAB Cc1ccc(-c2nc(CN3C(=O)CC4(CCCCC4)C3=O)cs2)cc1 7046854 BFNWUUXACQTMTM-UHFFFAOYSA-N 354.475 4.328 0 40 FIAB CC(C)[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(Cl)cc1 7595417 FNSVXBBZPPHDFY-SFHVURJKSA-N 358.869 4.420 0 40 FIAB CC(C)(C)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789503 TWFQGKLNSWOQBJ-UHFFFAOYSA-N 354.479 4.469 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1 7882498 KOXRUKWMFVWDML-SFHVURJKSA-N 358.441 4.448 0 40 FIAB COC(=O)c1cc(-c2ccc(OC)cc2F)nc2onc(-c3ccco3)c12 8337892 HLPAEWWVDSAOIX-UHFFFAOYSA-N 368.320 4.084 0 40 FIAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 8709106 LXTGHNPKUGLYAT-UHFFFAOYSA-N 368.433 4.158 0 40 FIAB Cc1nc2c(=O)n(Cc3cccc(F)c3)nc(-c3ccccc3)c2s1 8955031 JDYHTXKIEQCJET-UHFFFAOYSA-N 351.406 4.016 0 40 FIAB CC1(C)COc2cc(NC(=O)c3ccc4ccccc4c3)ccc2NC1=O 8959217 DMGYIMLTCGQYIT-UHFFFAOYSA-N 360.413 4.449 0 40 FIAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccccc2C)CC1 9062899 ADQICNKEYANRGY-UHFFFAOYSA-N 352.478 4.163 0 40 FIAB COc1ccccc1N1C(=O)c2c(C)n[nH]c2N[C@H]1/C(C)=C/c1ccccc1 9217719 KPYOJTJISWDSIA-QZMUEMGWSA-N 374.444 4.229 0 40 FIAB Cc1nc(SCc2nc3ccsc3c(=O)[nH]2)n(C2CCCC2)c1C 9365941 VDVBAEWUGNHMDN-UHFFFAOYSA-N 360.508 4.205 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 9723230 IZDBPUIHAYOKTF-UHFFFAOYSA-N 367.405 4.448 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@H](c1ccccc1)N(C)C 10328083 UWNQPVIODPTADZ-HXUWFJFHSA-N 362.473 4.271 0 40 FIAB COc1ccc(-c2cc(CSc3nnc(NC4CC4)s3)on2)cc1 11538871 QJTCOHRLWPMMJJ-UHFFFAOYSA-N 360.464 4.068 0 40 FIAB COc1ccc(C2(NC(=O)c3cc(C(C)C)nn3C)CCCCC2)cc1 12197821 IGGVYXWXIBHCSP-UHFFFAOYSA-N 355.482 4.142 0 40 FIAB c1csc(-c2cnc(NCCc3ccncc3)nc2-c2nccs2)c1 12251469 VFOHPUYMCMPFCT-UHFFFAOYSA-N 365.487 4.378 0 40 FIAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NC1CCCCC1 12444135 BRZJVXADYSZENN-UHFFFAOYSA-N 374.531 4.110 0 40 FIAB O=C(CSCc1ccc(F)cc1Br)Nc1ccccc1 12666819 WXHUWHLYKGYAKU-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccccn1 12769433 CIUOIZATYPXRIC-UHFFFAOYSA-N 364.245 4.294 0 40 FIAB CC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 12831162 GKVCFWLVGMGCNG-UHFFFAOYSA-N 370.355 4.394 0 40 FIAB Cc1nc2ccc(NC(=O)Cc3csc(-c4ccccn4)n3)cc2s1 12917606 ZLDZBBRFMQFBIL-UHFFFAOYSA-N 366.471 4.304 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 12976311 LJLLZWZLAKJPDM-YESZJQIVSA-N 361.363 4.449 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(CCc2ccccc2)CC1 12985358 RPROKGZPCTXLJC-UHFFFAOYSA-N 352.434 4.292 0 40 FIAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2)n1 13000922 ACOMRJJKKZFUQO-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB CSC1=N[C@@H](c2ccccc2)N2C(SC)=N[C@H](c3ccccc3)N12 13562952 AHAGRHISYLXMIM-IYBDPMFKSA-N 354.504 4.368 0 40 FIAB SC1=N[C@]2(CCS1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 13635988 LZYZYGLFWUPFCS-APWZRJJASA-N 367.499 4.307 0 40 FIAB O=C(c1ccccc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 15082970 YWPIXRWNMMNJDU-UHFFFAOYSA-N 353.365 4.359 0 40 FIAB O=Cc1ccc(OCCCSc2nnc(Cc3ccccc3)o2)cc1 15422792 VROJQKGCFHCBSL-UHFFFAOYSA-N 354.431 4.034 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccccc2N2CCCC2=O)o1 16261652 HRNBHVDYNLVUQF-NBRGXKJWSA-N 350.418 4.182 0 40 FIAB O=C(c1ccc(-c2ccccc2F)o1)N1CCN(Cc2ccccc2)CC1 23105454 URKITKARASYNQF-UHFFFAOYSA-N 364.420 4.044 0 40 FIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC([C@H](O)c2ccccc2)CC1 23384860 UFEDGZPBPCJECO-JOCHJYFZSA-N 360.457 4.063 0 40 FIAB Cc1ccccc1N1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S 28977625 IZJNIJASBDAVBE-OQLLNIDSSA-N 372.427 4.015 0 40 FIAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c1 31860858 NRMLCSNFBPYZRW-RWGOJESNSA-N 367.445 4.006 0 40 FIAB Cc1ccc(NC(=O)CSC2=N[C@H]3Nc4ccccc4[C@H]3N=N2)c(C)c1 38536839 QVZNVWARXNVKHM-QZTJIDSGSA-N 365.462 4.290 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 38850935 XLFYZFHDDYOXIA-UHFFFAOYSA-N 373.500 4.335 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F 39975562 XLVUFEJONDJOEN-UHFFFAOYSA-N 362.395 4.100 0 40 FIAB Cn1ccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 40012225 PHJPPTOUAPSARD-UHFFFAOYSA-N 361.323 4.484 0 40 FIAB COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 40156639 CJLOFLNAIKRGFN-JTQLQIEISA-N 367.829 4.385 0 40 FIAB CCOC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C 40385041 XEYFIUMRUYBNMV-UHFFFAOYSA-N 358.829 4.053 0 40 FIAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nc(C(C)(C)C)no1 44117425 UHJUUPOEVRLGLN-NSHDSACASA-N 370.482 4.209 0 40 FIAB COCCOCc1cccc(NC(=O)N(C)Cc2ccccc2Cl)c1 47590223 OKMOXBIYYLUAHG-UHFFFAOYSA-N 362.857 4.167 0 40 FIAB Cc1ccc(OCCC(=O)Nc2ccc(Oc3ncccn3)cc2)cc1C 48201791 BVMZENAAPTWFNT-UHFFFAOYSA-N 363.417 4.293 0 40 FIAB C/C=C/c1cc(C(=O)N(Cc2ccc(C)o2)C2CC2)cc(OC)c1OC 48286188 HBQDDICXUGZDMS-AATRIKPKSA-N 355.434 4.443 0 40 FIAB CSc1ccc([C@@H](C)NC(=O)C[C@](O)(c2ccco2)C(F)(F)F)cc1 48355718 WUVHOFGUBAHHIO-BZNIZROVSA-N 373.396 4.019 0 40 FIAB COC(=O)c1c(N[C@H](C)c2ccc(F)cc2)c2cccc(Cl)c2[nH]c1=O 49001611 IOFMRFKSBDLTNF-SNVBAGLBSA-N 374.799 4.280 0 40 FIAB CCOc1c(Cl)cc(CNC(=O)CCc2ccccc2F)cc1OC 55715351 MYYOEYFOKXUWSV-UHFFFAOYSA-N 365.832 4.135 0 40 FIAB CC(C)c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)o1 58144848 WWXUWRZEOACYPF-VIFPVBQESA-N 359.373 4.331 0 40 FIAB O[C@H](CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1F 58159356 OHLSPYONVBTZHM-KBXCAEBGSA-N 356.466 4.348 0 40 FIAB COc1cc([C@H](C)NCc2cc(C)c(OC)c(C)c2)cc(OC)c1OC 67188669 PTTPQIOQQKIAGI-HNNXBMFYSA-N 359.466 4.189 0 40 FIAB Cc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)cc1 72331944 CQRQJYSVRUVWSK-UHFFFAOYSA-N 362.458 4.459 0 40 FIAB COC(=O)C[C@H](NC(=O)Nc1sc2ccccc2c1Cl)C1CC1 79058512 SAOKKWMDZCIDKR-NSHDSACASA-N 352.843 4.018 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1Cc1nc(C2CC2)no1 96119593 XUJNDLAJQVJVDK-UHFFFAOYSA-N 367.836 4.372 0 40 FIAB O=C(CCc1ccc2c(c1)CCO2)N[C@H]1CCCc2c1[nH]c1ccccc21 96222160 JWKJLNYUSQPFLS-FQEVSTJZSA-N 360.457 4.229 0 40 FIAB biogenic CSc1ccc2c(c1)s/c(=N\C(=O)Cc1cc(C)ccc1C)n2C 100987555 IAQBOXHCSMRQIS-VXPUYCOJSA-N 356.516 4.249 0 40 FIAB CO[C@H](CNC(=O)c1c(-c2ccccc2)noc1C)c1cccc(Cl)c1 173528169 CQICWPSIEVXAGU-QGZVFWFLSA-N 370.836 4.421 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(OC(C)C)cc1 222862991 ZQGNFJCTFLDRPO-OAQYLSRUSA-N 355.478 4.380 0 40 FIAB COCCCNC(=S)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223890148 JPQSNZOIXNYCCD-UHFFFAOYSA-N 367.927 4.209 0 40 FIAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(OC)cc1 224595750 MVZVFPDGDGIUHO-UHFFFAOYSA-N 369.461 4.345 0 40 FIAB CC(C)Oc1ccc(CNC(=O)COc2ccc3c(c2)CCCC3)cc1 224696377 LPTYRJYNPDIWRK-UHFFFAOYSA-N 353.462 4.048 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COC(C)C 224718088 IDHFVHXUUNXKST-UHFFFAOYSA-N 371.433 4.034 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2ccccc2SC)c1 225767900 UWVLASRAPNLSDL-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB Cc1cc(-c2nc(C)c[nH]2)nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 257288721 PVHNBEZMTCBAOU-QGZVFWFLSA-N 365.456 4.002 0 40 FIAB Clc1cc(-c2noc(CC[C@@H]3CCCCO3)n2)cc2c1OCCCO2 546248581 IRAWQJRYKKQCNA-ZDUSSCGKSA-N 364.829 4.053 0 40 FIAB Cc1nc(CO[C@H]2CCN(c3ccnc4c(Cl)cccc34)C2)cs1 585083300 PDZYHPWFEWSYOO-AWEZNQCLSA-N 359.882 4.449 0 40 FIAB CC[C@@H](C)OC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 783685 XNFDIMOGCQLTHD-CHWSQXEVSA-N 356.447 4.028 0 40 FIAB CC1=C(C(=O)OC2CCC(C)CC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 823584 YHTHXEVXKGMOAQ-VUWQGNQKSA-N 362.857 4.090 0 40 FIAB CCc1nc2c(c(N3CCOCC3)n1)C1(CCCCC1)Cc1ccccc1-2 983305 KNBOZUNOMQLUNH-UHFFFAOYSA-N 363.505 4.301 0 40 FIAB Cc1ccc(C)c(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1 1452569 WTYZDYKUSJEZMH-HXUWFJFHSA-N 364.470 4.416 0 40 FIAB Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1Cl 1779584 RBFSDTWKOUOAPS-UHFFFAOYSA-N 361.228 4.080 0 40 FIAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Cl)cc4)sc3nc12 2466902 WNROZVXTVYEGOB-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB FC(F)Oc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1 3174092 ZBJRPDOVVBMPKG-UHFFFAOYSA-N 352.410 4.301 0 40 FIAB CCc1ccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 4679622 KRWJBRROCMRXOU-UHFFFAOYSA-N 350.506 4.120 0 40 FIAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2n[nH]c3ccccc23)cc1 5360382 MEJZSUCZVKKJIK-UHFFFAOYSA-N 371.396 4.172 0 40 FIAB C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)C12CC3CC(CC(C3)C1)C2 6053981 HWBTWTKBNMJLGC-HMHCLHNZSA-N 373.444 4.100 0 40 FIAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2ccccc2c1 6277885 SLCWZWGWPABSKL-UHFFFAOYSA-N 368.383 4.219 0 40 FIAB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 6328395 MUWGWBFHOKPEPY-UHFFFAOYSA-N 353.871 4.447 0 40 FIAB C[C@@H]1CSC(N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)=N1 6587490 MZSNXLNNLJUPOF-LLVKDONJSA-N 350.896 4.469 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(OC)c1 6628313 TYXMIOCZZCLLLS-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 6762157 CAFMOMOEVCZDOP-UHFFFAOYSA-N 362.307 4.462 0 40 FIAB Clc1ccccc1C1=NC2=S(O1)OC(c1ccccc1Cl)=N2 6872642 PYIJJHAIUZZCCH-UHFFFAOYSA-N 351.214 4.434 0 40 FIAB COC(=O)c1cn([C@@H](C)C(=O)Nc2cccc(C)c2C)c2ccccc12 6967936 QUGFUTRUZBEXEC-HNNXBMFYSA-N 350.418 4.244 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 7063712 VUOPUJQXMWRAJQ-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc2cc(F)ccc2s1 7165728 GKODLXMZLLLQQV-UHFFFAOYSA-N 370.357 4.209 0 40 FIAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)o1)c1cc2ccccc2o1 7328573 ZBAMLRUUYPGBCU-NSHDSACASA-N 369.402 4.045 0 40 FIAB COc1cc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1O 7489026 UOFNDCANHMQQCD-SDQBBNPISA-N 363.200 4.028 0 40 FIAB O=C(NCCSCc1ccsc1)c1cccc(Br)c1 7696918 UKLVGAKCPAVPQB-UHFFFAOYSA-N 356.310 4.174 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccn1 7737084 JTNSRLZMUMOBQP-YCRPNKLZSA-N 372.424 4.027 0 40 FIAB Cc1nc(Sc2nnc(C)n2C)c2c(-c3ccccc3)csc2n1 7983198 MZSDPIRJKXQSOT-UHFFFAOYSA-N 353.476 4.255 0 40 FIAB CCOCCCNCc1cccc(OC)c1OCc1ccccc1Cl 8253208 XLQDFUXRRAQAPO-UHFFFAOYSA-N 363.885 4.444 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(-n2cccc2)c1 8707703 RSSGKGTUUYGEBD-UHFFFAOYSA-N 359.473 4.003 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nc(-c2ccc(C)cc2)n[nH]1 8735386 MDGHXODJGBYFHV-UHFFFAOYSA-N 353.447 4.284 0 40 FIAB O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccccc1F 8756324 BVZBBIVNVQZCND-UHFFFAOYSA-N 353.422 4.377 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 11008555 UXABAZLWQLXONX-AWEZNQCLSA-N 373.888 4.069 0 40 FIAB C[C@@H]1SC(=N)N(c2ncc(Cc3ccc(Cl)cc3Cl)s2)C1=O 11689753 CPNIXUAETWIPBI-ZETCQYMHSA-N 372.302 4.444 0 40 FIAB COc1ccccc1C1(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)CCCC1 12115984 ORUPKDJAEMVNHZ-UHFFFAOYSA-N 365.433 4.186 0 40 FIAB COC(=O)c1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1 12552964 ZYMMJCDPMBHQOE-UHFFFAOYSA-N 373.452 4.358 0 40 FIAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CCCOc2ccccc2)C1=O 12568557 KJHXZEQBTRIWTH-QHCPKHFHSA-N 374.440 4.076 0 40 FIAB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)cc1C 12767090 JDGNNLYHBSSCAP-OKILXGFUSA-N 357.523 4.490 0 40 FIAB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 13668797 WCDMEXRPJOGEPB-UHFFFAOYSA-N 369.442 4.126 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)no1)c1ccccc1Cl 14196795 NOYFRZBJJWXIJJ-CYBMUJFWSA-N 355.825 4.200 0 40 FIAB CCc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)o2)cc1 14234601 DGDZFCFBNGWQFK-XJKSGUPXSA-N 359.495 4.086 0 40 FIAB O=C1C[C@H](c2cccc(OCc3ccccc3Cl)c2)c2cn[nH]c2N1 15083295 YXCWIIKPBVAYHP-OAHLLOKOSA-N 353.809 4.116 0 40 FIAB CCN(CCc1ccncc1)C(=O)Cc1sc(C)nc1-c1cccs1 15840094 WRNQYXIFJVEHRJ-UHFFFAOYSA-N 371.531 4.209 0 40 FIAB Cc1cccc(-n2c3c(c(SCc4ccccc4F)nc2=O)CCC3)c1 15840551 GZFSKJKESPFARW-UHFFFAOYSA-N 366.461 4.461 0 40 FIAB O=C(O)CSc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3 16480980 PASCPUWYDAHACS-UHFFFAOYSA-N 370.499 4.338 0 40 FIAB CCOc1cccc(C(=O)Nc2nnc(SCc3ccccc3)s2)c1 16751234 KOCCLECFPDNDCH-UHFFFAOYSA-N 371.487 4.481 0 40 FIAB CN(C)C1CCC2(CC1)CN(C(=O)CC(C)(C)C)Cc1ccccc1O2 19082730 FSYIESYKJWAKIB-UHFFFAOYSA-N 358.526 4.087 0 40 FIAB C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)CCN1CCOCC1 19358850 NUEQDUPUWVDKQU-FNCQTZNRSA-N 362.517 4.047 0 40 FIAB C[C@H](Cn1cc(Cl)cn1)C(=O)Nc1ccc(CN2CCCCCC2)cc1 19457397 YZAGXEGBZZZUBE-MRXNPFEDSA-N 374.916 4.187 0 40 FIAB COc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccccc1Cl)C3 19564017 JVYPJRSLEFGOAU-UHFFFAOYSA-N 354.793 4.411 0 40 FIAB CCc1cc(C(=O)N(C)[C@@H](CC)c2ccc(F)cc2)c2c(C)noc2n1 19714519 RMXSUVQLKCXFPS-KRWDZBQOSA-N 355.413 4.456 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)cc1Cl 19942735 ANQKLONVNJIFLW-UHFFFAOYSA-N 352.283 4.003 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(Cl)cc1)SCC(O)=N2 20714443 JRSJNWRSKJISQY-HNNXBMFYSA-N 371.853 4.048 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3ccc(C)cc3)n2)cc1 21800579 MXZJXLJMSQLYBF-AWEZNQCLSA-N 351.406 4.013 0 40 FIAB COC(=O)Cc1ccc(OCC(=O)c2cc(C)n(CCC(C)C)c2C)cc1 24993216 CUYCVVDWESMAFP-UHFFFAOYSA-N 371.477 4.128 0 40 FIAB Cc1cc(C)n(-c2ccc(CN3CCO[C@H](c4ccc(F)cc4)C3)cc2)n1 25949561 QBZANOFQTBRWBY-QFIPXVFZSA-N 365.452 4.202 0 40 FIAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccc3c(c2)OCCO3)cc1 26945893 OORGOEXWUOJRNL-UHFFFAOYSA-N 355.434 4.163 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30943781 OZLOTUGVWUREQQ-WIYYLYMNSA-N 368.496 4.175 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccnn2Cc2cccs2)cc1 32593431 FVWWSOIOIZAISJ-UHFFFAOYSA-N 369.490 4.308 0 40 FIAB COc1cccc(/C=C/C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 32772978 XSRVJZAXXKCCQQ-BUHFOSPRSA-N 364.489 4.357 0 40 FIAB Cc1cc(NC(=O)CSc2nc3ccc(F)cc3c3c2CCCC3)no1 35313061 OOMDMQNGPMCSRP-UHFFFAOYSA-N 371.437 4.280 0 40 FIAB Oc1ccccc1N1CCN(Cc2csc(C3CCCCC3)n2)CC1 40105809 NZXIERQPSKAVNP-UHFFFAOYSA-N 357.523 4.219 0 40 FIAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(Cl)c2ncccc12 40152683 KXYVMPXQHJTUNR-UHFFFAOYSA-N 372.755 4.106 0 40 FIAB CSc1nc(C(=O)Nc2cccc(Br)c2)c2ccccn12 40157944 JGTJAZBTKIQALF-UHFFFAOYSA-N 362.252 4.071 0 40 FIAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccccc2F)N1Cc1cccnc1 40485892 DYPRIBOUSAXYJA-HXUWFJFHSA-N 360.388 4.274 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)c(OC)c1 49546339 SNCDJCRGXAZGDK-QGZVFWFLSA-N 363.417 4.072 0 40 FIAB C[C@H](Sc1nnnn1C1CC1)c1cccc(NC(=O)c2ccccc2)c1 53636021 OVLYCZIPNIQWIA-ZDUSSCGKSA-N 365.462 4.114 0 40 FIAB Cn1cc(CCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cn1 54832865 KGPWWIOBNPCLJY-UHFFFAOYSA-N 355.825 4.437 0 40 FIAB CC[C@@H](C(=O)NCc1cccc(NC(=O)c2ccncc2)c1)c1ccccc1 55986728 PZTLERBKTVTKFB-OAQYLSRUSA-N 373.456 4.144 0 40 FIAB Cc1nccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1 58332838 JFNIWXFPLPEOCB-UHFFFAOYSA-N 364.371 4.046 0 40 FIAB COc1ccc(-c2noc(C3(c4cccc(Cl)c4)CCOCC3)n2)cc1 69968788 AHBGOCCPFPJLAI-UHFFFAOYSA-N 370.836 4.495 0 40 FIAB O=C(/C=C/c1cccs1)N1CCC(c2nnc(-c3ccco3)s2)CC1 77177539 UOZRNLUFRFGIFX-AATRIKPKSA-N 371.487 4.279 0 40 FIAB Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1 78579086 SZYWJYQPNJEEAD-IZZDOVSWSA-N 353.809 4.028 0 40 FIAB Cc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cn1 80346317 OKSCRCDKQCTRFW-UHFFFAOYSA-N 351.479 4.024 0 40 FIAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](C)CC(=O)c1ccccc1F 84131452 IYOOLUFDYNEYMU-HUUCEWRRSA-N 357.425 4.229 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2)c1)[C@H]1CCCC[C@H]1C(F)(F)F 84544694 GQUDDXBNUDRGSD-JKSUJKDBSA-N 351.372 4.239 0 40 FIAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2cccc(C(F)(F)F)c2)CC1 96029448 LXAZGAMGCBSFHR-UHFFFAOYSA-N 372.431 4.224 0 40 FIAB Fc1ccc(C2=C[C@H](c3cccc(Br)c3)n3ncnc3N2)cc1 100869058 QIJZPYNLIDTRQP-MRXNPFEDSA-N 371.213 4.236 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)cc1OC 122345475 HLSNEFDTZXQEHO-MRXNPFEDSA-N 373.518 4.075 0 40 FIAB CC(C)c1ccc(NC(=O)CCC(=O)NC2C3CC4CC(C3)CC2C4)cc1 199430290 KOTUIVOTDUNOIG-UHFFFAOYSA-N 368.521 4.470 0 40 FIAB Cc1cc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc(C)c1Cl 216785749 QMHKTMWYDORUOX-UHFFFAOYSA-N 357.793 4.329 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC(C)C 222799584 OQQRQVFEPQQYNC-MRXNPFEDSA-N 373.324 4.425 0 40 FIAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COCC(C)C 224741335 XOPSLXSUFVLBDR-UHFFFAOYSA-N 367.489 4.456 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 224971052 XIMCXXFBWLHKII-UHFFFAOYSA-N 370.496 4.241 0 40 FIAB CCOc1ccc(NC(=S)NCc2ccc(OC(C)C)c(OC)c2)cc1 225530547 CTSGFCHFNUMCGP-UHFFFAOYSA-N 374.506 4.368 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2ccc(OCC)cc2)cc1 225621724 RQMQHPCZJWDVHB-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccccc1 225803016 NHNNBRXKHRSXGK-UHFFFAOYSA-N 361.323 4.327 0 40 FIAB CCCCOc1cccc(C(=O)Nc2ccc(Br)cc2N)c1 226349418 MJLFXMOSTKFWLQ-UHFFFAOYSA-N 363.255 4.463 0 40 FIAB CC(C)(Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccccc1 227153751 LVQDOJSBRHIBEW-UHFFFAOYSA-N 355.825 4.322 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@H]1c1ccnc(-c2ccc(C(=O)O)cc2)c1 257264019 LSMKPOJNARMXJF-SFHVURJKSA-N 352.434 4.156 0 40 FIAB CCCNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1 257308019 TVCNNIDALGETCQ-UHFFFAOYSA-N 367.489 4.228 0 40 FIAB COc1cccc(Cc2cnc([C@@H]3CCCN3C(=O)c3cccs3)o2)c1 257318779 VPIFXQIIZXJUTE-KRWDZBQOSA-N 368.458 4.313 0 40 FIAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC[C@@H](OCC2CC2)C1 390829892 HITOCMPLQJGVEQ-HXUWFJFHSA-N 355.409 4.259 0 40 FIAB Cc1c(NC(=O)C[C@@H]2C[C@H]2C)cccc1C(=O)N1CCc2sccc2C1 577904640 OCBYOSJYSQKPAX-CJNGLKHVSA-N 368.502 4.240 0 40 FIAB Clc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC1CCN([C@@H]2CCOC2)CC1 624015225 SJHCHQGDEQWRGE-OXQOHEQNSA-N 373.928 4.042 0 40 FIAB CN(C)c1cccc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)c1 828598405 IKMWEPSUUMDQNV-MRXNPFEDSA-N 372.515 4.006 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C 942662 OPXJWUMCOASDQH-UHFFFAOYSA-N 351.855 4.437 0 40 FIAB aggregator COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(F)cc1F 1040922 QIKAKBPDJLUKCX-FARCUNLSSA-N 368.177 4.388 0 40 FIAB CCC(=O)N(CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O 1359383 XVAKIAVVHLUOHW-UHFFFAOYSA-N 362.473 4.072 0 40 FIAB CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)C4CCC4)n3)ccc21 1365789 RRDRRJAHUKUIFH-UHFFFAOYSA-N 369.490 4.094 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(OC)c1)CO3 2118133 YLSYMFRPDLCHBV-UHFFFAOYSA-N 351.402 4.029 0 40 FIAB biogenic C/C(=C(/NC(=O)c1ccccc1)C(=O)NCc1ccccc1)c1ccccc1 2126975 DJWMYJFAMCRAEG-PYCFMQQDSA-N 370.452 4.164 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ccccc1 2637389 WFUGEURJDUCRQV-UHFFFAOYSA-N 358.441 4.443 0 40 FIAB CCCCn1c([C@@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 2721317 BERROHJDMYVLOM-OAHLLOKOSA-N 351.450 4.336 0 40 FIAB CCCCCCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 3193269 OHBBESDMERRCOE-UHFFFAOYSA-N 369.417 4.374 0 40 FIAB CCOc1ccccc1OCCCC(=O)N[C@@H]1CCCc2ccccc21 3387748 QYTWLGTVVWRJKL-LJQANCHMSA-N 353.462 4.438 0 40 FIAB O=C(NCc1ccccc1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 3627980 VKKUGWMEQGBBFO-UHFFFAOYSA-N 354.409 4.334 0 40 FIAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccco1 4064660 VXZQZCBQALHONX-XJABCFGWSA-N 369.461 4.187 0 40 FIAB biogenic COc1ccc(Cc2nnc3sc(/C=C/c4cccc(C)c4)nn23)cc1 4538926 ONVVRLIGDDKWIY-DHZHZOJOSA-N 362.458 4.264 0 40 FIAB CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1N1CCCCC1 5474734 FVLDPWFDIFFOLU-UHFFFAOYSA-N 364.382 4.223 0 40 FIAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)o1 6278965 GLORNTRJCGWKON-NSHDSACASA-N 360.479 4.152 0 40 FIAB COc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 6288954 GMCWZDVXPUAGCQ-UHFFFAOYSA-N 361.397 4.187 0 40 FIAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccnc1)CO3 6660728 MHDMGNQKOUIOKI-UHFFFAOYSA-N 356.381 4.212 0 40 FIAB biogenic COc1ccc(CCNC(=O)Cc2csc(-c3ccc(C)cc3)n2)cc1 6662656 AFZDRJQJJVAXSJ-UHFFFAOYSA-N 366.486 4.029 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C(C)C 6667929 HPQVFISLHCRDBM-HUUCEWRRSA-N 353.528 4.184 0 40 FIAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1 6786175 BQUXQOKIYQFCJB-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB CC(C)c1ccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1 7502942 NDPXHFBNHAMGBL-SXGWCWSVSA-N 368.820 4.482 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 7928664 ZAXBRSBXRIXICW-KRWDZBQOSA-N 351.446 4.385 0 40 FIAB Cc1[nH]c(SCC(=O)NCCC2=CCCCC2)nc1Cc1ccccc1 7984708 OFTMUJJCFVNUCQ-UHFFFAOYSA-N 369.534 4.408 0 40 FIAB O=c1cc(CNc2ccc(Cl)c(C(F)(F)F)c2)nc2sccn12 7990766 BCHUWNCHIFLGNG-UHFFFAOYSA-N 359.760 4.040 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc2c(s1)CCC2 8388759 ZTUZWQFSMFGJOW-UHFFFAOYSA-N 365.502 4.312 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 8746260 UOKPPMBFIZWAFM-INIZCTEOSA-N 360.244 4.246 0 40 FIAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(Br)cc1F 8747070 PMMQQBNFZJMEND-SECBINFHSA-N 355.232 4.103 0 40 FIAB CSc1ccc(C(=O)CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 8776999 QKFBNTZJNKTLOR-UHFFFAOYSA-N 354.431 4.460 0 40 FIAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3F)ccc21 9137487 JVSYVYVSZPAMTO-UHFFFAOYSA-N 358.388 4.152 0 40 FIAB CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(F)cc4)o3)oc12 9167987 PZLFKSNZUMWLDR-UHFFFAOYSA-N 367.336 4.273 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1 10542502 OGWXCRJUZLDTRF-LLVKDONJSA-N 354.233 4.199 0 40 FIAB O=C(NCCCCOc1ccccc1)c1cc(F)ccc1Br 11080153 RWFAYBXHGPDWHJ-UHFFFAOYSA-N 366.230 4.177 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 11381138 MYSJVVDWKGPWKS-GFCCVEGCSA-N 364.239 4.172 0 40 FIAB COc1cccc(NC(=O)NCc2ccccc2CN2CCCCC2)c1 11557611 RKUNTMMUMZDVCC-UHFFFAOYSA-N 353.466 4.003 0 40 FIAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2ccnc2C)n1 12087893 MBZHIEXKAHOJEE-CJNGLKHVSA-N 374.535 4.069 0 40 FIAB Cc1cnc2c(c1)cc(C1CCOCC1)n2CC(=O)N(C)C1CCCCC1 12223085 KBDQALLKPBLBJE-UHFFFAOYSA-N 369.509 4.030 0 40 FIAB COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c(F)c1 12621169 QWLNUBDAMCRVAR-UHFFFAOYSA-N 370.449 4.239 0 40 FIAB Cc1cc(C)c(NC(=O)CCCSCC(=O)N2CCCCC2)c(C)c1 12817441 QJUIMBHSOCPKBX-UHFFFAOYSA-N 362.539 4.076 0 40 FIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)OCc1ccccc1Cl 12872635 PLLQLLQZWCGBIW-UHFFFAOYSA-N 360.772 4.205 0 40 FIAB Cc1ccc2c(CN(C)CCOc3ccc(Cl)cc3)cc(=O)oc2c1 12896078 QNQWEPBHGSKZMS-UHFFFAOYSA-N 357.837 4.266 0 40 FIAB COc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 14577325 HJZARZYTZRUSOG-HSZRJFAPSA-N 361.441 4.288 0 40 FIAB CCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2)s1 14740303 BWQWJCCWRGWRHU-UHFFFAOYSA-N 359.929 4.175 0 40 FIAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 15643488 ZYPSDQJMAAUGGA-UHFFFAOYSA-N 351.427 4.009 0 40 FIAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccn1 16755451 FFESOJDLSDHMSA-UHFFFAOYSA-N 374.469 4.488 0 40 FIAB Cc1ccccc1OC[C@H]1CCCN(C(=O)[C@H](C)n2ccnc2C(C)C)C1 19237325 QDXXLWVVLPCAFZ-OALUTQOASA-N 369.509 4.194 0 40 FIAB CCCn1ncc(C(=O)N2CCCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1C 19525879 SNLKNBYYZGXUAG-IBGZPJMESA-N 365.481 4.154 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccccc1C 20048494 WCOKJOWBDKPYLA-HXUWFJFHSA-N 373.518 4.211 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20737131 QHQNRWVFDODVCQ-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(C)c1)C3 20796140 ATRRDVSCHQIVTM-HNNXBMFYSA-N 366.490 4.238 0 40 FIAB COc1ccc2cc(CNS(=O)(=O)c3cc(C)sc3C)ccc2c1 21869705 BKADSZFLRYODIM-UHFFFAOYSA-N 361.488 4.005 0 40 FIAB O=C(c1ccco1)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 25072486 WGYDRKQELIERSC-UHFFFAOYSA-N 373.762 4.064 0 40 FIAB Cc1ccc(-c2nc(CSc3nc(C)c(CC(N)=O)s3)co2)c(C)c1 25608291 WHPFRJBGSRGGOT-UHFFFAOYSA-N 373.503 4.043 0 40 FIAB CCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 27582321 ZESXRFYKIZGJKI-QGZVFWFLSA-N 358.507 4.104 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(OC)c1 30758780 SWFILTCODLIATD-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc(Cl)nc1 31629072 RWQLHKWLFLXFLE-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1C[C@H](C)O[C@@H](C)C1 36624728 RPJQIINPUPRITH-GJZGRUSLSA-N 366.461 4.122 0 40 FIAB CC(=O)Nc1ccc(NCCOc2ccc(F)cc2)c(C(F)(F)F)c1 40061275 MAFFYLALYZSASC-UHFFFAOYSA-N 356.319 4.294 0 40 FIAB COc1ccccc1CC(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 40107084 OKOXANVTZHIAFQ-UHFFFAOYSA-N 352.365 4.203 0 40 FIAB CCOc1ccccc1OC1CCN(C(=O)Nc2cccc(OC)c2)CC1 56514677 HWQOAEGLKWCVFX-UHFFFAOYSA-N 370.449 4.169 0 40 FIAB Cc1ccccc1-n1ncc(C(=O)NCc2ncc(-c3ccccc3)o2)c1C 57136415 GDKOCXUJRLDLNE-UHFFFAOYSA-N 372.428 4.074 0 40 FIAB CN(Cc1nc(O)c2sccc2n1)Cc1ccccc1N1CCCCC1 57369287 KQWXQYYCOGCPSM-UHFFFAOYSA-N 368.506 4.019 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C)c3)n[nH]2)c(OC)c1 57413116 BEUSZBGAEHNMBN-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB Cc1cc(C)c(NC(=O)N[C@H](c2nnc3ccccn23)C(C)C)c(C)c1 58317066 HONXTEZXYWQACU-KRWDZBQOSA-N 351.454 4.173 0 40 FIAB COc1ccc(C2(C(=O)Nc3ccc4oc(=O)ccc4c3)CCCC2)cc1 58821414 OTHFTZZHOGELOY-UHFFFAOYSA-N 363.413 4.252 0 40 FIAB COc1ccc(OCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 59475308 NPWVUGUKMOMPDX-YCRREMRBSA-N 366.244 4.210 0 40 FIAB COc1ccc(Cl)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c1 64828608 DIEMFWPTAHQGOB-UHFFFAOYSA-N 362.216 4.440 0 40 FIAB O=C(Nc1ccccc1F)c1[nH]nc(-c2ccccc2)c1Br 65094720 VUOUVRBVBGHOGV-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)NCc2nc(-c3cccs3)no2)cc1 65778421 MTBJLYSBXAWBGC-UHFFFAOYSA-N 369.490 4.345 0 40 FIAB Cc1c(NC(=O)N[C@H](C)c2ccncc2)cccc1OCC(F)(F)F 69688425 HRNMDDLOSKSUPD-GFCCVEGCSA-N 353.344 4.214 0 40 FIAB COc1ccc(NC(=O)CN(C)c2nc3ccccc3s2)cc1Cl 70972917 WACSZJJRYOXIJB-UHFFFAOYSA-N 361.854 4.033 0 40 FIAB CCN(C(=O)c1ccc2c(c1)OCCO2)[C@@H](Cc1ccc(F)cc1)C(C)C 72303437 NZDONLZVFUYDLT-IBGZPJMESA-N 371.452 4.326 0 40 FIAB Fc1cc(-c2cccs2)ccc1CN[C@@H]1CCN(CC(F)(F)F)C1 75126246 OAJZXIVEDJIWBN-CQSZACIVSA-N 358.404 4.280 0 40 FIAB C[C@H](OC(=O)CSc1cnc2ccccc2n1)c1ccc(F)cc1F 84651679 YBEFLUXYZXNBJI-NSHDSACASA-N 360.385 4.305 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CN(CC(C)(C)C)c2ccc(F)cc2)c1 89265573 FMASGSJVEHTCRT-UHFFFAOYSA-N 371.456 4.275 0 40 FIAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC[C@@H](C2CCOCC2)C1 89420058 QPOICTVBPNBDAK-GXTWGEPZSA-N 372.292 4.036 0 40 FIAB COc1ccc(C(=O)Nc2nn(-c3ccccc3Cl)cc2C)c(OC)c1 92645655 WXPPTMOHZSZYHQ-UHFFFAOYSA-N 371.824 4.104 0 40 FIAB CC(C)N(CC(=O)Nc1ccccc1SC(F)F)C[C@@H]1CCCCO1 95455744 BBFVWUVZEWHAIA-AWEZNQCLSA-N 372.481 4.219 0 40 FIAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc2[nH]ccc12 95478912 MBMXZWPYQNOPJW-UHFFFAOYSA-N 350.809 4.474 0 40 FIAB C[C@@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1cc(F)ccc1F 95962419 BHDHBRMXRZHIHO-OAHLLOKOSA-N 359.464 4.350 0 40 FIAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C(C)C)CC1 100657898 FOBAJUMNHITPAC-GASCZTMLSA-N 372.534 4.307 0 40 FIAB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SC)nn32)c1 102596432 OBHUUJZYVXEXMT-INIZCTEOSA-N 370.478 4.316 0 40 FIAB COc1ccc(NC(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)cn1 175008086 QLBQGFGXKKIYII-CYBMUJFWSA-N 360.483 4.082 0 40 FIAB Cc1cc(OCC(=O)NCc2cccc(OC(C)C)c2)cc(C)c1Cl 218921218 JNGXRXKCVXOSFK-UHFFFAOYSA-N 361.869 4.439 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1 218933344 VKLPHOSMPFGAGK-QGZVFWFLSA-N 355.478 4.255 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 222884519 FXONHPIZXKQHII-VQTJNVASSA-N 362.502 4.255 0 40 FIAB Cc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)n1 225304374 ZEPAVTZIDIKSHN-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB Cc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(N)cc2)cc1 225312213 DAEVIJCAFCYWBS-UHFFFAOYSA-N 370.449 4.112 0 40 FIAB CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225363939 JFKFLHHFEJAJQQ-HXUWFJFHSA-N 368.496 4.175 0 40 FIAB COc1ccc(C(=O)N(Cc2cccs2)Cc2cccn2C)cc1F 225617274 GSPMFGIJWHMELW-UHFFFAOYSA-N 358.438 4.077 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(OC)c3)oc2c1 226284041 VLUMUCDKZVFJNZ-UHFFFAOYSA-N 364.323 4.419 0 40 FIAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 253608004 PQZVPLJDBHJGNI-NSLUBLRVSA-N 366.244 4.401 0 40 FIAB O=C(c1ccccc1)N1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1 257295537 QYTDFOZOLKBJDP-NRFANRHFSA-N 362.404 4.101 0 40 FIAB Cc1cccnc1Nc1cncc(C2CCN(Cc3ccccc3)CC2)n1 257338533 YXVNOROVCRWVSC-UHFFFAOYSA-N 359.477 4.303 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408642363 OFTGTDWWFAHDQF-OAHLLOKOSA-N 364.832 4.485 0 40 FIAB Cc1ccc(C(=O)N2N=C3[C@H](CCC[C@H]3C)[C@]2(O)C(F)(F)F)cc1Cl 409173938 PUGPHUAGGSBBGA-XAGWURHQSA-N 374.790 4.147 0 40 FIAB O=C(NC[C@H](c1ccco1)c1cccs1)C1(c2ccc(F)cc2)CC1 606440316 BULPEDJDUYRYEB-MRXNPFEDSA-N 355.434 4.460 0 40 FIAB C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)CC1 624745101 INCIZUAVGIXRSV-KMBRJESTSA-N 372.512 4.015 0 40 FIAB N[C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(-c4ccccc4F)s3)C2)C1 650706806 SOWKFFSQKQLNQZ-YRNRMSPPSA-N 374.525 4.273 0 40 FIAB O=C(c1cnc(O)c2ccccc12)N1CCc2cccc(C(F)(F)F)c2C1 1302109093 AUILXPDHCNCLCP-UHFFFAOYSA-N 372.346 4.158 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)C1(c2ccc(F)cc2)CC1 1775967426 RCUIKSYAULWVMH-HNNXBMFYSA-N 371.433 4.029 0 40 FIAB Cc1nccn1[C@H]1C[C@H]2CN(C(C)C)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242502 ARIYRRANIMTPSF-NZGUISNBSA-N 357.473 4.070 0 40 FIAB O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 719427 PBOOFGGIJRZUOF-UHFFFAOYSA-N 366.726 4.141 0 40 FIAB CCc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2 784066 BJXOBCWSRQOCNX-DEOSSOPVSA-N 371.436 4.329 0 40 FIAB COc1cc(NC(=S)NCc2ccc(Cl)cc2)c(OC)cc1Cl 986451 LBEMDVHWGBHMKG-UHFFFAOYSA-N 371.289 4.497 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3O)o2)c(C)c1 1224423 DTFYLWXYLYMPCM-UHFFFAOYSA-N 369.446 4.098 0 40 FIAB O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)Nc1ccccc1Cl 1245375 NESKBDTUPCEJMW-XNTDXEJSSA-N 372.833 4.015 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccco1 1364342 IHAKCKAOSGKCHZ-UHFFFAOYSA-N 370.478 4.241 0 40 FIAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)C(=O)CCC3 2309394 LEIXONIMGUJFPB-UHFFFAOYSA-N 371.849 4.303 0 40 FIAB O=C(O)c1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 2548645 ODXOBZDYVHLISC-UHFFFAOYSA-N 359.425 4.237 0 40 FIAB O[C@@H](c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1 2659562 WNLSGAAZWQWYGD-FQEVSTJZSA-N 358.397 4.397 0 40 FIAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 3313404 MJMFDPXSTBWJFS-UHFFFAOYSA-N 356.180 4.353 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(N2CCCC2=O)cc1 3435604 XDHXYAJXUSBCEP-UHFFFAOYSA-N 370.452 4.333 0 40 FIAB Cc1cc(C(=O)N2N=C3CCCCC[C@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 4200069 PKIHNEBJDSCOFE-MLGOLLRUSA-N 374.790 4.291 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 4275331 KYUOFAKJELURRO-UHFFFAOYSA-N 352.824 4.050 0 40 FIAB Cc1cc(C)cc(C(=O)NCCSc2ncc(-c3ccc(F)cc3)[nH]2)c1 4315653 WPJPGXAWOXWFTM-UHFFFAOYSA-N 369.465 4.355 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1 4334509 BRZHLGKODJQLIE-UHFFFAOYSA-N 367.880 4.216 0 40 FIAB O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccccc1 4611266 HDRRBZZHOBBGKT-ACCUITESSA-N 368.392 4.285 0 40 FIAB Cc1cc(C)nc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)n1 4967265 BHUOYQPMWBVTJV-UHFFFAOYSA-N 373.500 4.246 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127232 ODYDRVSPKRGWKI-UHFFFAOYSA-N 361.869 4.347 0 40 FIAB COc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 5137048 UENOCIHXHWHQAL-UHFFFAOYSA-N 370.449 4.239 0 40 FIAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3CCSC)cc1 5164191 MKXULTBIOLSYCQ-AZUAARDMSA-N 354.475 4.318 0 40 FIAB COc1ccc(C)cc1CSc1nnc(-c2ccc(OC)c(OC)c2)o1 5281978 RRXHVAWMIPFODL-UHFFFAOYSA-N 372.446 4.363 0 40 FIAB CCCN1CCN(c2nc(C)nc3scc(-c4ccccc4)c23)CC1 6085970 ZMASGETZGHRCLS-UHFFFAOYSA-N 352.507 4.199 0 40 FIAB CC(C)OCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 6328067 QOKVAODWRVJFRE-HMMYKYKNSA-N 368.433 4.067 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=O)COc2ccc(C)cc2C)c1 6396878 VHDKNWJYKVUHCP-UHFFFAOYSA-N 354.450 4.450 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 6566176 OAWFPIZGCPVACK-UZLBHIALSA-N 351.446 4.205 0 40 FIAB CCOc1cc(C(=O)Nc2cccc(Br)c2)ccc1OC 6595569 AYIINMYQINOSIS-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB FC(F)(F)c1nc(OCc2ccccc2)c2cnn(-c3ccccc3)c2n1 6649775 HSOSTNNAMSTARF-UHFFFAOYSA-N 370.334 4.413 0 40 FIAB CN(C)C(=O)[C@@H](Sc1ncc(-c2ccccc2)n1C)c1ccccc1 6650108 AUXHXNSHVWQETC-SFHVURJKSA-N 351.475 4.009 0 40 FIAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 7270708 VVWRHIZGKFHRQC-UHFFFAOYSA-N 365.477 4.207 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)n1C 7436815 JAAPMPHCPDFCLJ-NSHDSACASA-N 361.854 4.400 0 40 FIAB COc1ccccc1N1CCN(C(=O)c2ccccc2SC(C)C)CC1 7495771 SYNMLEGHKQKECI-UHFFFAOYSA-N 370.518 4.158 0 40 FIAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cccc(NC(C)=O)c1 7605269 XGBYHTKCPBDGID-UHFFFAOYSA-N 370.453 4.355 0 40 FIAB Cc1cc(NCC(=O)Nc2ccc(F)c(F)c2)ccc1Br 7972470 UTQMCJIXIGHDDV-UHFFFAOYSA-N 355.182 4.086 0 40 FIAB COC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 8108315 SUWYLEUSIIXQDQ-UHFFFAOYSA-N 369.598 4.108 0 40 FIAB COc1ccc(C)cc1NCC(=O)Nc1ccccc1C(=O)c1ccccc1 8131888 GXLJOLYYVOZHQZ-UHFFFAOYSA-N 374.440 4.285 0 40 FIAB Cc1ccccc1CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 8367338 GISQKXQNJUPYGC-UHFFFAOYSA-N 350.466 4.374 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8499322 MXFIVDHMIFLCQT-KRWDZBQOSA-N 368.477 4.239 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)o2)cc1C 8508378 CMOPZOMUXMHEML-OAHLLOKOSA-N 367.474 4.497 0 40 FIAB Cc1ccccc1NC(=S)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 8685978 FRBYBRWFILVMSI-ALOPSCKCSA-N 355.507 4.070 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1OC 9364427 DNWDHKMHWXXLBE-UHFFFAOYSA-N 370.232 4.200 0 40 FIAB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 9604677 SIGHUVSTPKCPHO-QHCPKHFHSA-N 358.441 4.283 0 40 FIAB COc1cc(N)c(Cl)cc1C(=O)OCc1csc(-c2ccccc2)n1 9613236 BXHCSYFVHGJKEL-UHFFFAOYSA-N 374.849 4.411 0 40 FIAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C)c1 10112375 HDQNWVKSVHKYFB-UHFFFAOYSA-N 369.442 4.126 0 40 FIAB O=C(CN1CCc2sccc2C1)Nc1ccc(Cl)cc1C(F)(F)F 10341043 BFCMWCKHKVOLON-UHFFFAOYSA-N 374.815 4.417 0 40 FIAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccc(OC)c1 11612201 MJOSILNPMNVJTK-UHFFFAOYSA-N 367.426 4.463 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)COc1ccc2c(c1)CCC2 12239953 SUTJLVZYLDAYBH-UHFFFAOYSA-N 363.413 4.261 0 40 FIAB C[C@H]1CN(C2(n3nnc4ccccc43)CCC(C(C)(C)C)CC2)C[C@@H](C)O1 12417967 HEBZANDPEIGMJC-RPIYSHSISA-N 370.541 4.430 0 40 FIAB CCCC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OC)cc2)cs1 12442133 SKRHDTAMXQCXKT-UHFFFAOYSA-N 356.451 4.051 0 40 FIAB CON(C)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)c1=S 12523418 UBYFSZWNVQPUDT-UHFFFAOYSA-N 374.897 4.483 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12824003 ZMWDQOZHUJPDBR-WHCBVINPSA-N 373.378 4.443 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(F)cc3)cs2)cc1 12870312 MEXLZLXVJDSMOR-GFCCVEGCSA-N 356.422 4.449 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2F)cc1 12971564 HEGRYSJXKXWPKE-GOSISDBHSA-N 362.832 4.263 0 40 FIAB Cc1cc(O)nc(S[C@H](C)C(=O)n2c3ccccc3c3ccccc32)n1 14608353 GOEJSCHLKJOAKI-CYBMUJFWSA-N 363.442 4.420 0 40 FIAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(COc2ccccc2)o1 16670060 VUNVLZHYTOCBLU-UHFFFAOYSA-N 374.396 4.401 0 40 FIAB Clc1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCNC3)n2)cc1 19335655 JYBQSLFUPPYCEW-AWEZNQCLSA-N 351.841 4.013 0 40 FIAB C[C@H](Sc1nncn1C)C(=O)N1c2ccccc2Sc2ccccc21 20311977 MKFGFSRCLXCCAP-LBPRGKRZSA-N 368.487 4.125 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)c3ccc(C(C)C)cc3)sc2c1 20412291 GXEMTBHPIHJLCS-UHFFFAOYSA-N 354.431 4.459 0 40 FIAB COc1ccc(C)cc1Nc1nnc(SC[C@H]2CCCCO2)s1 20833650 XPAVTAYMWDSBML-GFCCVEGCSA-N 351.497 4.260 0 40 FIAB Cc1ccoc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 21676414 QBUSSYFBWLDQSC-UHFFFAOYSA-N 350.205 4.392 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)n1nnc(-c2ccc(C)cc2)n1 23971369 PMFVHYAESTVRQU-HOTGVXAUSA-N 363.465 4.362 0 40 FIAB COc1ccccc1NC(=O)c1csc(COc2ccc(F)cc2)n1 24864446 ZHPWCVFXNXEWTE-UHFFFAOYSA-N 358.394 4.122 0 40 FIAB Cc1ccc([C@H](NC(=O)/C=C/c2cnn(-c3ccccc3)c2)C2CC2)cc1 25161395 XJKOWFXNTKGEKU-PZVJUEDKSA-N 357.457 4.461 0 40 FIAB C[C@@H](N[C@H](C)c1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12 26983660 VYZIFOCSZBHJBG-CHWSQXEVSA-N 355.388 4.191 0 40 FIAB Cc1cccc(OCC(=O)N(Cc2ccccc2F)c2ccccn2)c1 27992339 NFYGGEFNYKNRJB-UHFFFAOYSA-N 350.393 4.141 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1 30750925 YGUFUMZDBGAJGY-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)Cc3cccc(C)c3)ccc21 35588086 GSWFLVKJJVUUHZ-UHFFFAOYSA-N 350.506 4.059 0 40 FIAB O=C(CCc1ccc(-c2ccccc2)o1)N[C@H]1CCN(Cc2ccccc2)C1 36875877 ZKWYHNGOVAYIBX-NRFANRHFSA-N 374.484 4.270 0 40 FIAB Nc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1cccc(Cl)c1 38486688 JUVLLVINIZRTNZ-UHFFFAOYSA-N 353.838 4.293 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cccc(C(=O)NC2CC2)c1 40104248 NTYZDUGWDBGPNH-ZDUSSCGKSA-N 371.868 4.457 0 40 FIAB O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCCCCC1 40373189 UGWAIEFACIACGF-JOCHJYFZSA-N 353.506 4.072 0 40 FIAB Cc1ccc(C)c(N(C(=O)c2cccs2)S(=O)(=O)c2ccccc2)c1 40966707 VWMIONLXIINCOQ-UHFFFAOYSA-N 371.483 4.401 0 40 FIAB CCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc12 41095242 JDBDOFMTBDMING-YJBOKZPZSA-N 361.507 4.486 0 40 FIAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCSc2ccccc21 41155134 NIKHWQLNGWPFQI-UHFFFAOYSA-N 357.818 4.199 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)/C=C/c3cccs3)ccc21 49507167 KFIMAMDASGTQHL-CSKARUKUSA-N 370.474 4.172 0 40 FIAB COCc1ccccc1C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 58178905 FPFZGMHCLQDPQJ-UHFFFAOYSA-N 366.392 4.089 0 40 FIAB O=C(COC(c1ccccc1)c1ccccc1)N(Cc1ccccn1)C1CC1 65578385 HRRWFYOQWIVKOC-UHFFFAOYSA-N 372.468 4.379 0 40 FIAB C[C@H]1CCN(C(=O)c2ccc(OC3CCOCC3)cc2)[C@H](c2ccco2)C1 75389386 URGZTHSOSFOVDR-JXFKEZNVSA-N 369.461 4.451 0 40 FIAB CCc1cc(N(C)[C@@H](C)Cc2ccccc2OC)nc(-c2ccncc2)n1 76061420 ZOUJPGSUAKEJJN-INIZCTEOSA-N 362.477 4.177 0 40 FIAB Cn1ccnc1COc1ccc(CN2CCCc3cc(F)c(F)cc32)cc1 84331645 ZSBICDQVBCJCKP-UHFFFAOYSA-N 369.415 4.230 0 40 FIAB COCc1c(C(=O)N[C@@H]2CCc3c(O)cccc32)sc2ccccc12 89420308 YMDMORMQNFBCKC-MRXNPFEDSA-N 353.443 4.171 0 40 FIAB COC(=O)c1sccc1NC(=O)c1cc2cc(Cl)ccc2nc1C 95347424 SMWQAYJTRNZVHJ-UHFFFAOYSA-N 360.822 4.297 0 40 FIAB Cc1nc(N2CCc3c(ncn3C3CC3)C2)c2c(CC(C)C)csc2n1 95394225 RRYDAOZJAJDUEM-UHFFFAOYSA-N 367.522 4.292 0 40 FIAB O=C(CCSc1ccc2c(c1)OCCO2)Nc1cnc2ccccc2c1 95399260 VFALZOLIDUKVCF-UHFFFAOYSA-N 366.442 4.127 0 40 FIAB Cc1cc(=O)oc2cc(NC(=S)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)ccc12 101115516 WJCKIJRHIKLOKZ-VMUDFCTBSA-N 356.491 4.213 0 40 FIAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(OC)c(OC)c1 218963238 BJJHKOWBSAFDRQ-IBGZPJMESA-N 371.477 4.474 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)CCc2cccc3ccccc23)cc1 222672364 FRUAKXBQVGGYSW-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1C 222945538 IVSAXFNCMRVASH-GOSISDBHSA-N 355.434 4.276 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCN(C)c1ccccc1 223004673 BKLNVZWOWKLJBS-NRFANRHFSA-N 354.494 4.104 0 40 FIAB COc1ccc(C(=O)N2CCCC2)cc1COc1ccc(Cl)c(C)c1 224208379 PRPJDNFBGHLYGV-UHFFFAOYSA-N 359.853 4.472 0 40 FIAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccccc1OC 224573580 KNFZXZYGTFENRQ-UHFFFAOYSA-N 369.461 4.345 0 40 FIAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225021587 ZEOQWBDPJWUALN-OALUTQOASA-N 354.523 4.379 0 40 FIAB COc1cccc(OCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 225152499 CBBDWLYITINPRE-QGZVFWFLSA-N 371.477 4.090 0 40 FIAB CCCOC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 225438119 BCDSYXZZBJAVFB-UHFFFAOYSA-N 352.478 4.295 0 40 FIAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)Cc1ccccc1 225438192 FXZJLCDQBGPNQX-ZDUSSCGKSA-N 370.836 4.321 0 40 FIAB biogenic,in-vitro COCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1Cl 225632594 BLZSUJBURYCVLG-UHFFFAOYSA-N 355.862 4.043 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCCOc2ccccc2Cl)c1 225780568 GKOWJVHRRFHIPI-UHFFFAOYSA-N 364.898 4.493 0 40 FIAB Cc1cccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)c1 225811599 LKJVGMKJGYCZMH-UHFFFAOYSA-N 351.368 4.142 0 40 FIAB O[C@H](COCC[C@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 252506370 RDXQFUZNRUQJIT-ZJZGAYNASA-N 371.565 4.145 0 40 FIAB C[C@H](C(=O)OCCCCCC(=O)O)c1ccc(C(=O)c2ccccc2)s1 253606682 SSCOMBQFRBQTHU-AWEZNQCLSA-N 374.458 4.271 0 40 FIAB O=C1O[C@]2(CCCN(Cc3ccc(F)cc3)CC2)CN1Cc1ccccc1 257302930 SFAUWECOZFTUOC-QFIPXVFZSA-N 368.452 4.203 0 40 FIAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2Cc2cc(F)ccc2F)n1 257328530 XGBBPQIULVJQLM-SFHVURJKSA-N 369.419 4.181 0 40 FIAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2)cc1 408675276 HBOUIZWBLMNYFH-UHFFFAOYSA-N 370.408 4.436 0 40 FIAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N(CC)CC)cc1 408679998 XNWWDHZYPAPNKQ-UHFFFAOYSA-N 364.445 4.056 0 40 FIAB CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408706779 DNGJRBNYHGUFMZ-QGZVFWFLSA-N 370.880 4.133 0 40 FIAB CC(C)(C)c1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 408709217 PXNJWLSWGANVMN-UHFFFAOYSA-N 352.478 4.062 0 40 FIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cccc(F)c1 408714242 LZGGPGGYOBAVHQ-UHFFFAOYSA-N 367.424 4.445 0 40 FIAB COc1ccc(C2(NC(=O)c3cc(OC)c(C(C)C)c(OC)c3)CC2)cc1 511003761 MDXVDKVHBGOFEM-UHFFFAOYSA-N 369.461 4.255 0 40 FIAB CC(C)c1ccc(O[C@H](C)CNC2CCN(Cc3cscn3)CC2)cc1 585082911 NZOXMHXPXCLYQK-QGZVFWFLSA-N 373.566 4.288 0 40 FIAB O=C(c1cccc(Nc2ccccc2)c1)N1CCC[C@@H](C2CCNCC2)C1 662594576 KHQPMKPJOBHRTF-HXUWFJFHSA-N 363.505 4.282 0 40 FIAB CC(C)(C)n1cc(-c2ccc3c(c2)C(c2ccccc2)=NCC(=O)N3)cn1 1243564691 MTYSHCMDSGUPAV-UHFFFAOYSA-N 358.445 4.095 0 40 FIAB COc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1CC=C(C)C 2332243418 UAOQHJYBQJNUFG-UHFFFAOYSA-N 352.386 4.389 0 40 FIAB Cc1ccc(C[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]2C)cc1 840890 LIPCTGGFOGLSIF-CXAGYDPISA-N 361.363 4.382 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)SC(N)=N1 1410005 ZXPJZWSCQSVRBC-ZDUSSCGKSA-N 358.385 4.034 0 40 FIAB CCCCNC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12 2107786 SWOAFQYTUCGVLX-UHFFFAOYSA-N 358.392 4.172 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1F 2214869 VTPHAJXYBBCVPM-UHFFFAOYSA-N 370.453 4.143 0 40 FIAB Cc1cccc(-c2nc3c4cnn(-c5cc(Cl)ccc5C)c4ncn3n2)c1 2418916 SUZLYLMZARYCQV-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CNCc2ccco2)cc1 3418316 LDVYYFWQSZETHU-FQEVSTJZSA-N 365.473 4.135 0 40 FIAB C[C@H](Sc1ncnc2sc3c(c12)CCC3)C(=O)Nc1ccccc1 3485903 WAMUKAHPSNSHPB-NSHDSACASA-N 355.488 4.299 0 40 FIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3cccc(C)c3)nc1-2 3651724 FABPLFSFJRCKHS-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4nccs4)sc3n2)cc1 4032980 SZEWOMFZPXYXMH-UHFFFAOYSA-N 370.459 4.089 0 40 FIAB COc1cc(Nc2ccc(-c3ccccc3C)nn2)cc(OC)c1OC 4092382 JCQKWGXXCYQLOT-UHFFFAOYSA-N 351.406 4.221 0 40 FIAB COc1cccc(-c2nnc(Nc3nc4ccc(OC)cc4s3)o2)c1 4137754 JPDWSURKELGNEI-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB Cc1ccc2sc(N3CCN(C(=O)C4CCCCC4)CC3)nc2c1C 4585346 ZYGHAIABEXANQT-UHFFFAOYSA-N 357.523 4.142 0 40 FIAB Cc1ccccc1OCc1nn2c(-c3cccc(Cl)c3)nnc2s1 4664969 UZQDZMUNRJBVHG-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 4816504 XIHMFWRVXCIHMQ-VQTJNVASSA-N 360.461 4.454 0 40 FIAB CCc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC)cc1 4860195 CXGXSHITMJFIDI-UHFFFAOYSA-N 370.478 4.160 0 40 FIAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1cccc(Cl)c1)OCCCO3 5355019 MUAZVUWYQFUGRZ-CYBMUJFWSA-N 357.837 4.261 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 6052321 JNXOMOTUJCSTEV-OXQOHEQNSA-N 367.445 4.331 0 40 FIAB O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccc(Cl)cc1 6970400 LFHPCVKQJQZBOD-QGOAFFKASA-N 367.836 4.038 0 40 FIAB CCCCCC(=O)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388369 UDWLEYDTGBFXQW-UHFFFAOYSA-N 366.786 4.125 0 40 FIAB COc1ccccc1OCCCn1c([C@@H]2CCCO2)nc2ccccc21 7425450 OUYHSXBGFDKBDB-FQEVSTJZSA-N 352.434 4.366 0 40 FIAB CN(C)CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 7771720 ZAFJLQKYECQZBD-UHFFFAOYSA-N 362.926 4.314 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Br)cc1 8050879 LHZJUOQQZABCMA-CQSZACIVSA-N 364.239 4.254 0 40 FIAB Cn1c(SCCOc2cccc(Cl)c2)nnc1-c1ccccc1F 8273996 RXQZJHNZZCDPMS-UHFFFAOYSA-N 363.845 4.446 0 40 FIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccnc1 8714622 NXOWXFIEERHFDA-UHFFFAOYSA-N 368.886 4.413 0 40 FIAB COc1cc([C@@H]2C[C@@H]2C(=O)c2nc3ccccc3[nH]2)ccc1OC(F)F 9913658 DMMNFLOLHQIHIS-RYUDHWBXSA-N 358.344 4.159 0 40 FIAB O=C(COc1ccc(Br)cc1)N[C@H](c1ccccc1)C1CC1 11207618 RARNZHOWGWCGMS-GOSISDBHSA-N 360.251 4.095 0 40 FIAB CCC[C@H](NC(=O)c1nn2c(C)cc(C)nc2c1Cl)c1cccs1 12200060 RRVJJKMKVUNFAZ-LBPRGKRZSA-N 362.886 4.332 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCc3sccc3C2)cc1)c1cccs1 12216055 ZUXKSPKZVJGATI-UHFFFAOYSA-N 368.483 4.260 0 40 FIAB Clc1ccc(-c2nc(NCc3cccnc3)ncc2-c2ncc[nH]2)cc1 12221833 KJSYCLPKOVUTSI-UHFFFAOYSA-N 362.824 4.194 0 40 FIAB Cc1nc2ccc(NC(=O)c3ncoc3-c3ccccc3F)cc2nc1C 12338300 JHKVOLZAESZCDZ-UHFFFAOYSA-N 362.364 4.293 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)on1 12621908 BNSLGWVKDJDPDC-UHFFFAOYSA-N 364.224 4.121 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@H]1C 12820666 HQXICNVTSHQVAP-GFCCVEGCSA-N 364.898 4.276 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)NCc2cccc(Cl)c2)cc1 12855820 QVILXCXDLHHDLP-HXUWFJFHSA-N 372.896 4.192 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)c2ccc(Br)cc2)cc1F 12999878 NLZLVPYIKWPFIC-UHFFFAOYSA-N 364.214 4.498 0 40 FIAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(C2SCCCS2)c1 13468311 OWHVAFQFQVPHEV-HUUCEWRRSA-N 363.504 4.161 0 40 FIAB COc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1OC 15008901 ZDIOPNMLMJPNCQ-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB CC[C@@H](CNC(=O)c1ccccc1NC(=O)NC(C)C)c1ccccc1 15537968 TZPUFWDKMSJYLN-INIZCTEOSA-N 353.466 4.140 0 40 FIAB COP(=O)(OC)c1nc(-c2ccccc2)oc1NCc1ccc(C)cc1 16751568 DERUGZMLRBGPGH-UHFFFAOYSA-N 372.361 4.373 0 40 FIAB Cc1ccc([C@H](C)C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)cc1 19136332 RGIXHKKXCLOKET-KRWDZBQOSA-N 374.488 4.051 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccc(Cl)cc1 20137144 XVRNCUDACRHJAJ-UHFFFAOYSA-N 371.820 4.282 0 40 FIAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(Cc2ccccc2)CC1 20622708 ABOGHHMVBYIMSW-UHFFFAOYSA-N 354.837 4.044 0 40 FIAB O=C(Nc1ccccc1Cl)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20737573 YKMUXOXCYWHDDN-MRXNPFEDSA-N 366.808 4.375 0 40 FIAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N(C)Cc1ccc(Cl)s1 22011270 KQCANTNGQNSLNK-NSHDSACASA-N 374.901 4.105 0 40 FIAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1cc2ccccc2o1 23951980 YZELCPSWSNIZBG-SCLBCKFNSA-N 370.474 4.126 0 40 FIAB Cc1cccc2nc(C(=O)N(Cc3ccco3)Cc3cccs3)cn12 24460945 KXTJBTWMDNUHBV-UHFFFAOYSA-N 351.431 4.140 0 40 FIAB CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc2ccccc2c1 28043666 XWROISBPOOMGBV-UHFFFAOYSA-N 369.486 4.243 0 40 FIAB O[C@H](CNC1CCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296786 PDBDDHQOGOEVIT-MRXNPFEDSA-N 360.929 4.457 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCCN1CCc2ccccc21 29520497 RLBXIDUISFTKKL-UHFFFAOYSA-N 363.288 4.105 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1OC 30860516 MIYXWUWWSSCPIX-LSDHHAIUSA-N 359.491 4.203 0 40 FIAB COc1ccc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc2c1 33809347 DQWZYDKTEXUBNO-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB Cc1nc2ccc3nc(NC(=O)c4ccn(C(C)C)n4)sc3c2s1 36701796 JFRGYWFKPVIMEP-UHFFFAOYSA-N 357.464 4.244 0 40 FIAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39745456 FHUNCUOUBLLQLV-UHFFFAOYSA-N 356.441 4.075 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1OC(F)F 39994105 ILQBVHNEZLXLID-QGZVFWFLSA-N 372.371 4.191 0 40 FIAB CCOc1ccc(C(C)=O)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1 40060995 ASXJKDDLTZKCDQ-OAQYLSRUSA-N 357.425 4.001 0 40 FIAB CCOCCCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 40131243 AUKFCDQOIGCADE-UHFFFAOYSA-N 354.859 4.227 0 40 FIAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1F 41076974 MBEHBBQIRXYRFX-UHFFFAOYSA-N 367.424 4.357 0 40 FIAB O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 44596191 KPNJDDMLOLOQCS-UHFFFAOYSA-N 363.288 4.275 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1Cl 44886045 HEICKIMRDXGWMW-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB O=C(NCCCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 44909269 JKYNNVZBVKREKE-UHFFFAOYSA-N 370.924 4.301 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc([S@](C)=O)cc2)cc1 58114469 PHJYNNLDYYLXFL-FQRUVTKNSA-N 371.502 4.190 0 40 FIAB O=C(c1csc(-c2ccccn2)n1)N1CCC[C@@H]1Cc1cccc(F)c1 61622038 CEEZZEGQNZEIKP-MRXNPFEDSA-N 367.449 4.192 0 40 FIAB CCCCn1cc(-c2cc(C(=O)N3CCCC3)c3cccc(C)c3n2)cn1 63868407 QFDDANNHCHOOLU-UHFFFAOYSA-N 362.477 4.443 0 40 FIAB COc1cc([C@H]2SCC(O)=Nc3ccsc32)cc(OC)c1OC 71280510 NJSLJVVWDMVISW-OAHLLOKOSA-N 351.449 4.198 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(OC(C)C)nc2)cc1 72211937 DLAGRTJRBDZQEZ-LJQANCHMSA-N 374.506 4.093 0 40 FIAB COc1ccccc1Cc1cccc([C@H]2CCCN(C3CCOCC3)C2)n1 72350104 XKRLPJRKUPYDFR-IBGZPJMESA-N 366.505 4.039 0 40 FIAB c1ccc(CN2CCCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377365 ZYZUCZKBZWXWSX-KRWDZBQOSA-N 351.479 4.404 0 40 FIAB COc1cccc(-c2nc(Cl)cc(-c3ccc(OC)c(OC)c3)n2)c1 78401292 CGAVFUWGQHAKCA-UHFFFAOYSA-N 356.809 4.490 0 40 FIAB Cc1cc(OCCN2CCN(c3ccccc3O)CC2)ccc1C(C)C 84090073 DXMCCUPEFPXHNK-UHFFFAOYSA-N 354.494 4.025 0 40 FIAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C 84752684 IZNWRQQWJMOICG-JBACZVJFSA-N 367.489 4.058 0 40 FIAB Cc1ccc(-c2n[nH]cc2CN(Cc2ccccc2)CC2CCOCC2)o1 93342073 ORUBXOQKERKYDL-UHFFFAOYSA-N 365.477 4.407 0 40 FIAB Cc1cc(CN2CCC[C@H](Cc3nccn3C)C2)cc(C)c1OC(F)F 95468638 GCICORIQJIFEIU-MRXNPFEDSA-N 363.452 4.093 0 40 FIAB COc1cc(CN2CCC[C@@H]([C@@H](C)O)C2)ccc1OCc1ccc(F)cc1 96003583 RVPDFAUNTVWFSN-VQIMIIECSA-N 373.468 4.006 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)COc1ccc(C)cc1 219320992 APMLUKYHXTUPNT-YJBOKZPZSA-N 361.869 4.390 0 40 FIAB Cc1cccc(CS(=O)(=O)N2CCS[C@H](c3cccs3)CC2)c1 219550909 OGOZPCKFOHVFTE-KRWDZBQOSA-N 367.561 4.067 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C)cc1 219589908 WLGGQPDGBALALS-HXUWFJFHSA-N 355.478 4.300 0 40 FIAB COc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222580931 XAGDBFWIAPNSND-YMRXKLBXSA-N 359.882 4.333 0 40 FIAB COc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1OC 222606170 OWOXUGQJLLAXHW-UHFFFAOYSA-N 369.808 4.067 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1cc(C)ccc1C 222795042 ZKICDRAUMHEVCF-ZDUSSCGKSA-N 353.871 4.005 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 222823466 LIPXAMLSILCIQY-RBUKOAKNSA-N 354.523 4.379 0 40 FIAB O=C(CCCc1ccccc1)Nc1cnc(Oc2ccccc2F)nc1 224283354 TWLFPSITFBFQEK-UHFFFAOYSA-N 351.381 4.369 0 40 FIAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1C 224370955 HDEPEYFNEMLUGF-UHFFFAOYSA-N 365.429 4.496 0 40 FIAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)o1 224553784 BYYXZRQNXLXMHT-RTBURBONSA-N 365.458 4.169 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 224690431 JTQBECODJKMEII-ZWKOTPCHSA-N 367.489 4.225 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053766 DOTPCDTVVDJVGK-INIZCTEOSA-N 370.474 4.013 0 40 FIAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225317424 XOEJQIBXOGMNDP-LJQANCHMSA-N 369.461 4.055 0 40 FIAB CSc1ncc(/C=C/C(=O)Nc2nc3c(C)ccc(C)c3s2)cn1 408535583 ZUAIUQGJEXRLJK-VOTSOKGWSA-N 356.476 4.077 0 40 FIAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCCC1 409000766 FVFGIDIXVOTVCQ-IBGZPJMESA-N 374.525 4.352 0 40 FIAB Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)cc1Cl 409095766 IWXPQXMGUWGRBN-OAHLLOKOSA-N 362.779 4.147 0 40 FIAB CCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1COC 409136814 VSPHTEXJSAYQBK-UHFFFAOYSA-N 367.449 4.017 0 40 FIAB COc1ccccc1[C@@H](NC(=O)c1nc(C(C)C)oc1C)c1ccco1 501642564 SCOZRUORAHAZSF-GOSISDBHSA-N 354.406 4.227 0 40 FIAB CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](Oc3ccncc3)C2)cc1 575611214 CPURFJLHGZRVLT-LJQANCHMSA-N 370.518 4.195 0 40 FIAB CC[C@@H](C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1 575611447 VHFRALLPEAUGIK-SJORKVTESA-N 355.459 4.352 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1CN1CCCCC1 589950488 ARQHEVDZHJQTEF-HNNXBMFYSA-N 355.309 4.013 0 40 FIAB Cc1ccc(=Nc2cccc(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)c2)[nH]n1 605514313 QAXZAUQHAOQRGK-LEWJYISDSA-N 372.472 4.017 0 40 FIAB O=C(NC[C@@H]1C[C@H]1c1cccc(F)c1)c1cc(-c2ccc(F)cc2)on1 1775977286 SMDGHEVKTIZGDD-YOEHRIQHSA-N 354.356 4.153 0 40 FIAB Cc1nc(N2CCN(c3ccccc3)CC2)c2c3c(sc2n1)CCCC3 1094793 HEYVUOFAZZMOJY-UHFFFAOYSA-N 364.518 4.205 0 40 FIAB CCSC(NC(=O)Nc1ccc(OC(F)(F)F)cc1)SCC 1390992 MQJRSEIGHINHQM-UHFFFAOYSA-N 354.419 4.497 0 40 FIAB O=C(c1cnc[nH]1)n1nc(-c2cccc3ccccc23)cc1C(F)(F)F 1414422 BEOPVSHONJKCOM-UHFFFAOYSA-N 356.307 4.134 0 40 FIAB CN(c1ccccc1)[C@H]1C2=C(CCCC2)OC(=O)C12SCCCS2 1565323 MTEYFWWKSDGJKW-KRWDZBQOSA-N 361.532 4.443 0 40 FIAB CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1 2121759 CYSHNJQMYORNJI-MPJJRAAHSA-N 358.478 4.461 0 40 FIAB biogenic CC(C)(C)c1ccc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc1 2329286 IABAUODFXYTVPX-UHFFFAOYSA-N 355.482 4.416 0 40 FIAB CCSc1nnc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)s1 3275126 NSYIFSCJICSZRS-UHFFFAOYSA-N 365.524 4.355 0 40 FIAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(F)c(Cl)c1 3301298 GZAIMOUINSVDIA-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1 3385615 VHOJVTQRTDHDCQ-KBPBESRZSA-N 357.475 4.365 0 40 FIAB COc1ccc(Br)c(C(=O)Nc2cccc(SC)c2)c1 3548743 JSZNDZJSMRJOFR-UHFFFAOYSA-N 352.253 4.432 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(Br)cc3)sc2C1 3897022 OJSUZBVPMTZNDY-SECBINFHSA-N 351.269 4.283 0 40 FIAB Cc1ccc([C@@H]2c3cccn3CCN2C(=S)NCc2ccccc2)cc1 4088159 IVAFMTSXGJEVSA-OAQYLSRUSA-N 361.514 4.276 0 40 FIAB Cc1cc(NC(=O)CCC2CCCC2)c(=O)n(Cc2ccc(F)cc2)c1 5000868 QSUAWOPRAFOWBJ-UHFFFAOYSA-N 356.441 4.253 0 40 FIAB CCOc1cccc(-c2nn3c(-c4cccc(OCC)c4)nnc3s2)c1 5047439 MUWDVPQXHBFGDD-UHFFFAOYSA-N 366.446 4.317 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2ccccc2NC1=S 6277025 XEVSZQVTIHOKOY-UHFFFAOYSA-N 365.380 4.492 0 40 FIAB CC(=O)c1ccc(-c2ccc(C(=O)NCCSCc3ccco3)o2)cc1 6588815 OTRIEHSUMCAOQE-UHFFFAOYSA-N 369.442 4.405 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)sc2C1 6606647 UQFWAXRTFCCCSK-XJKSGUPXSA-N 372.490 4.078 0 40 FIAB CCCOc1ccc(N2C[C@H](C(=O)Nc3cccc(C)c3C)CC2=O)cc1 6880949 HLNGZLGDBMUCTB-QGZVFWFLSA-N 366.461 4.084 0 40 FIAB Cc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)s1 7192613 XHZBUXMRXJMLKJ-OAHLLOKOSA-N 359.451 4.458 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccsc2)N1Cc1ccc2c(c1)OCO2 7885116 PFYLTNGNKANODN-IBGZPJMESA-N 364.426 4.244 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 8209046 PLBQARKZBUPRTK-UHFFFAOYSA-N 353.447 4.198 0 40 FIAB O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@@H]1c1nc2ccccc2s1 8340264 JHXBOHCLZNWXDO-AEFFLSMTSA-N 364.470 4.354 0 40 FIAB COc1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)o2)c(OC)c1 9388385 LRAZLSOQJAGKCR-MRVPVSSYSA-N 361.250 4.040 0 40 FIAB Cc1ccc(/N=c2\scc(-c3ccccc3)n2N2CCOCC2)cc1C 9707454 ZNAILXBIWHWVQO-DQRAZIAOSA-N 365.502 4.034 0 40 FIAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1cccc2ccccc12 10218347 LKMLGSJRGXTPIC-UHFFFAOYSA-N 353.443 4.032 0 40 FIAB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 10794644 AEYHYHFPAGKPJU-JTQLQIEISA-N 368.216 4.186 0 40 FIAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 10891431 SOUOCHIPILCFCA-MRXNPFEDSA-N 362.429 4.087 0 40 FIAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccc(Cl)cc1)C(=O)CO3 12113098 LNMROVMNGXWURU-UHFFFAOYSA-N 352.821 4.118 0 40 FIAB Cc1nn2c(NCc3ccncc3)c3c(nc2c1-c1ccc(F)cc1)CCC3 12113384 PRTHTYOKKZJOCP-UHFFFAOYSA-N 373.435 4.340 0 40 FIAB CCCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 12419373 QKKVXGZQLWRKLV-UHFFFAOYSA-N 360.435 4.288 0 40 FIAB CC(C)c1ccc(-c2nnn(CCC(=O)Nc3ccccc3Cl)n2)cc1 12764763 BJZOLHDGROXJOF-UHFFFAOYSA-N 369.856 4.146 0 40 FIAB Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n[nH]1 12845302 LIHSSUMCLUVOFT-DEOOBNHLSA-N 370.522 4.071 0 40 FIAB Cc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 12922379 VUFHXIHJSPVQAS-KRWDZBQOSA-N 360.461 4.257 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc(OC(C)C)cc1)O[C@@H](C)C2 12975554 LTPIOLXSOPUKLZ-AWEZNQCLSA-N 355.434 4.448 0 40 FIAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(F)cc2Cl)CC1=O 13096783 NXJLHBVCYUTBQZ-ZDUSSCGKSA-N 360.816 4.033 0 40 FIAB O=C(O)C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc(Cl)cc1 13173643 NLUCLIUJFYFCRS-ZDUSSCGKSA-N 356.180 4.078 0 40 FIAB C[C@@](CC(=O)Nc1ccc(Cl)cc1Cl)(C(=O)O)c1ccccc1 13250345 JQGXNVBDAPSNAN-KRWDZBQOSA-N 352.217 4.365 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)o1 14093961 XDJKTGFDQZPHKI-JSGCOSHPSA-N 371.462 4.039 0 40 FIAB COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(C)cc1 15015178 ALXCKXNQCZQURN-GOSISDBHSA-N 371.502 4.027 0 40 FIAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 16181024 IPLYPINTPFNHDL-MRXNPFEDSA-N 371.408 4.033 0 40 FIAB NC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 16303403 QJPXKEVLVUZKRU-UHFFFAOYSA-N 366.804 4.484 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H](C)C(C)C)cc12 17054491 FZVFITMMPZMGQB-GFCCVEGCSA-N 359.470 4.368 0 40 FIAB CC(C)(C)c1ccccc1OCC(=O)NCCc1c[nH]c2ccccc12 17295992 WMTNHWMVQIBBCH-UHFFFAOYSA-N 350.462 4.203 0 40 FIAB COc1ccc(SCC(=O)NCCc2ccc(C(C)C)cc2)cc1OC 20041779 LQDZMOZWGDDULC-UHFFFAOYSA-N 373.518 4.278 0 40 FIAB O=C(NCc1ccccc1CN1CCCC1)c1ccc2c3c(cccc13)CC2 22277333 QKFQPZWNJLMXAN-UHFFFAOYSA-N 370.496 4.464 0 40 FIAB CC1CCN(c2nc3nccc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)CC1 22606913 RSSVMICKOSAKLW-UHFFFAOYSA-N 370.456 4.375 0 40 FIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1csc2c1CCCC2 23737802 DRERWJMXNKMJRC-LJQANCHMSA-N 354.519 4.194 0 40 FIAB O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccc(Cl)cc2Cl)no1 26241509 NYOJHXTTZFAUGB-UHFFFAOYSA-N 373.195 4.445 0 40 FIAB CSCc1c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)oc2ccccc12 27224209 UDVKZKLRJIHQOX-UHFFFAOYSA-N 368.458 4.250 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1cccs1)N1CCCC1 27582257 GEKXVCFBODHPLO-FQEVSTJZSA-N 364.514 4.397 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1N1CCCC1=O 27759974 NNQAXCDLFJXOTB-OAHLLOKOSA-N 370.880 4.218 0 40 FIAB Cc1ccc(C)c(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2F)c1 29424536 FKBMUFVDWREWNW-UHFFFAOYSA-N 371.387 4.093 0 40 FIAB CCCC[C@@H](CC)CNC(=O)N1CCN(c2cccc(Cl)c2)CC1 32801777 KXBCNMSTJPCHGQ-MRXNPFEDSA-N 351.922 4.388 0 40 FIAB COc1ccc(OCCOC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 32957453 NQSSWPQGUIVHNK-UHFFFAOYSA-N 366.413 4.095 0 40 FIAB CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C)nn(-c3ccccc3)c2n1 36621643 PLUACDDCOXQEKN-OAHLLOKOSA-N 362.477 4.163 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccc3N(C)C)c12 36750388 SOOYWDCBZYRVRI-UHFFFAOYSA-N 362.389 4.110 0 40 FIAB Cc1ccc(N[C@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)c(F)c1 38773139 ZEGAKHZJYZIAPS-GFCCVEGCSA-N 362.474 4.472 0 40 FIAB O=C(CNc1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1cccs1 40007908 IIJHWGAHJSHBIX-AWEZNQCLSA-N 370.396 4.422 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44899841 OMRROXAPCRKFNL-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB O=C(Nc1cccc(-c2cnco2)c1)c1cc(F)ccc1Br 48205154 WGDVYXIBZVJUAZ-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB CSc1ncccc1C(=O)Nc1nnc(-c2ccccc2Cl)s1 56248685 LRCTXBJDXNVHNY-UHFFFAOYSA-N 362.867 4.228 0 40 FIAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378563 IAQHMJJAGZTBAZ-OAQYLSRUSA-N 374.488 4.262 0 40 FIAB CCOc1ccccc1NC(=O)NCCN1CCC(c2cccs2)CC1 77104368 NGDDRWLRQQGINO-UHFFFAOYSA-N 373.522 4.148 0 40 FIAB COc1ccc(C(F)(F)C(=O)Nc2cc(NC(=O)C3CC3)ccc2C)cc1 89644282 QPURALLSKSCAPW-UHFFFAOYSA-N 374.387 4.083 0 40 FIAB c1ccc(Oc2ccc(-c3cnc(OCC4CCNCC4)nc3)cc2)cc1 96675127 NBYWHHQFTBVTFD-UHFFFAOYSA-N 361.445 4.314 0 40 FIAB C[C@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 100391434 WBDLWPXLYBRVFY-SIPRGPJJSA-N 359.425 4.138 0 40 FIAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2Cl)C1=O 101275730 TXPGAASVPBKMON-OAHLLOKOSA-N 363.244 4.300 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2F)C[C@H](c2ccccc2)C1 102590715 PCCQDTJBJBCMEV-VBKZILBWSA-N 360.392 4.482 0 40 FIAB O=c1cc(C(F)(F)F)c2ccc(OCOCc3ccccc3)cc2o1 115244773 PNMPACFWCQYKAL-UHFFFAOYSA-N 350.292 4.365 0 40 FIAB COC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1C 218929909 SFNFEOROHXCYSA-UHFFFAOYSA-N 355.434 4.097 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219296065 ZFPANUHVBLVUSW-CRAIPNDOSA-N 371.477 4.301 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)s1 222829110 ZPLBOYFKPGXLCK-CYBMUJFWSA-N 365.524 4.453 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C)cc1 224829573 RYILJNJYQSBFAM-QFIPXVFZSA-N 367.489 4.226 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225153297 VSVKLRCGQJIXFY-UHFFFAOYSA-N 370.474 4.278 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCCCC1 225630948 DLKSXIJTMJDTTQ-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB Cc1ccc(CSCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 225730006 PEGWRHUOMQNMBI-UHFFFAOYSA-N 369.530 4.302 0 40 FIAB CC(=O)N[C@]1(C)C[C@H](c2ccc3ncccc3c2)O[C@@H]2C[C@H](C)CC[C@H]21 257339987 ZEBBMKYKYHATOC-PIFKTPJGSA-N 352.478 4.396 0 40 FIAB Cc1cccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C)CC3)C2)c1 306125862 DDYZIOCTXFNODW-UHFFFAOYSA-N 366.553 4.060 0 40 FIAB CC(C)CCn1ncc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c1C(C)C 331829386 XPIUXKIAGGXDHW-MRXNPFEDSA-N 372.517 4.187 0 40 FIAB COc1cc(C(=O)Nc2c(C)cccc2C)cc(Br)c1OC 408619571 JHXCCZVOIKKRMS-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB COc1ccc(C(=O)CCC(=O)Nc2cccc3ccccc23)c(OC)c1 408836039 PLEBOFJSKCEAMD-UHFFFAOYSA-N 363.413 4.459 0 40 FIAB N=c1nc2nc(-c3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)n2[nH]1 409056949 FMWBKFPAUFXFHR-UHFFFAOYSA-N 356.216 4.178 0 40 FIAB CC(C)Sc1ccc(CC(=O)NCCn2cc(-c3ccco3)cn2)cc1 575614995 LTMJINZMYJXFLB-UHFFFAOYSA-N 369.490 4.003 0 40 FIAB Cc1cn2c([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)cccc2n1 585182460 XWJRNLKTLKVBPH-QGZVFWFLSA-N 372.472 4.073 0 40 FIAB CCn1nccc1-c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1 685227917 XKCBQRFTMBFCTF-UHFFFAOYSA-N 374.404 4.264 0 40 FIAB CCc1cc(Nc2cccc(CC[C@H](O)c3ccccc3)c2)n2ncnc2n1 727829986 XXTUEDWLAWJMGK-FQEVSTJZSA-N 373.460 4.097 0 40 FIAB CC1(C)CCC(O)(CNc2nc(-c3ccccn3)nc3sccc23)CC1 1612646493 ZKOMNLRTTZCALP-UHFFFAOYSA-N 368.506 4.497 0 40 FIAB C[C@H](NCc1ccc(-c2cccs2)cc1)c1nc(C(F)(F)F)n[nH]1 1665752845 IKVZLOLFXCXAEP-JTQLQIEISA-N 352.385 4.403 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 724920 BZBRAVLRVKTBQT-UHFFFAOYSA-N 352.478 4.252 0 40 FIAB C[C@@]1(C(=O)Nc2cccc(Cl)c2Cl)Cc2ccccc2C(=O)O1 818835 BNTCBLLQGOQRIT-KRWDZBQOSA-N 350.201 4.104 0 40 FIAB Cc1cc2cccc(C)c2nc1SCC(=O)NCCc1ccccc1 932888 QYOLVOAJVMEMRI-UHFFFAOYSA-N 350.487 4.303 0 40 FIAB CCN(C(=O)c1ccccc1OC)c1nnc(-c2cccc(C)c2)s1 1345401 BLJCGGRWXBUGAQ-UHFFFAOYSA-N 353.447 4.189 0 40 FIAB O=C(Nc1cc(Br)cc2cccnc12)C(Cl)(Cl)Cl 1435796 UJUWFROHMFLJDD-UHFFFAOYSA-N 368.445 4.306 0 40 FIAB CN(C)C(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1 1447903 ICQDRUPUSFXTFV-UHFFFAOYSA-N 366.398 4.130 0 40 FIAB biogenic COc1ccc(CCNc2ncnc3c2[nH]c2ccc(C)cc23)cc1OC 2133847 FNJOTEMEILKMHT-UHFFFAOYSA-N 362.433 4.091 0 40 FIAB biogenic COc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1 3114491 GYURIOLETDXJJI-MHWRWJLKSA-N 374.849 4.455 0 40 FIAB COc1cccc(NC(=S)NCC2(N3CCCCC3)CCCCC2)c1 3328119 CMAZZLGJPJERIR-UHFFFAOYSA-N 361.555 4.170 0 40 FIAB COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)c1 3892420 IURZPVDAVMIJBH-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCC2 4602059 BSSYIKGHCOPKFY-UHFFFAOYSA-N 354.406 4.339 0 40 FIAB COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 4993351 ORKFWVPMGUEYLG-UHFFFAOYSA-N 373.412 4.256 0 40 FIAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Cl)cc1 5209987 RXGNTWUUWDVGEG-LLVKDONJSA-N 358.854 4.244 0 40 FIAB COc1ccc(C2=NO[C@@H](COc3ccc(Cl)c4cccnc34)C2)cc1 5443626 INZVFHJTLOSLFC-OAHLLOKOSA-N 368.820 4.469 0 40 FIAB aggregator Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Cl)s1 5530618 HNIXBDSUHAYHOV-UHFFFAOYSA-N 363.895 4.096 0 40 FIAB CCOC(=O)c1ccc(NC(=S)Nc2cccc3cnccc23)cc1 5689562 FZXDNOYTLYZPQU-UHFFFAOYSA-N 351.431 4.220 0 40 FIAB CCCCN(CCCC)C[C@@H](O)COC(=O)Nc1cccc(Cl)c1 5973426 SIHWPWSSOYTRBD-QGZVFWFLSA-N 356.894 4.152 0 40 FIAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1n[nH]c2ccccc12 6370961 ZKAPTBSIZRHMQB-UHFFFAOYSA-N 353.378 4.183 0 40 FIAB CCCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(OC)c1 6595207 OUSGALPVYJDPRO-UHFFFAOYSA-N 366.417 4.015 0 40 FIAB Cc1ccc(C)c(Cn2cc(C(=O)Nc3c(C)cccc3C)ccc2=O)c1 7574254 QNRIOPWUMBUSAY-UHFFFAOYSA-N 360.457 4.383 0 40 FIAB CCOc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC 7975809 RCCIIDQIRVXPHB-UHFFFAOYSA-N 353.340 4.294 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSC1CCCCC1 8041489 FKBUHKWCOKAPHY-MRXNPFEDSA-N 351.512 4.035 0 40 FIAB CC1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1 8187137 FALLCORNJWLMPK-INIZCTEOSA-N 373.547 4.219 0 40 FIAB CCCn1c(SCc2nc3ccccc3o2)nc2ccccc2c1=O 8278238 VOBOFJNLKTVTGC-UHFFFAOYSA-N 351.431 4.240 0 40 FIAB COc1ccc2cc([C@H](C)C(=O)Nc3nnc(C4CC4)s3)ccc2c1 8345546 XRDTTYSILLAWFB-NSHDSACASA-N 353.447 4.320 0 40 FIAB Cc1c(Cl)c(CSc2nnnn2Cc2ccco2)nc2ccccc12 11311332 XMIXSRRMHFVJOP-UHFFFAOYSA-N 371.853 4.117 0 40 FIAB Cc1c(Cl)ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1Cl 11614172 MSVBNZSQGDMNMB-SNVBAGLBSA-N 356.274 4.442 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CCc2ccc(OC)c(OC)c2)c1 12818940 NXGPCNQYTDERQL-UHFFFAOYSA-N 373.449 4.073 0 40 FIAB CCOC(=O)c1ccsc1NC(=O)CN1CCC[C@H]1c1ccc(C)cc1 13003230 BGWNEOUMUFRXIS-KRWDZBQOSA-N 372.490 4.009 0 40 FIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 13069012 ZWCMPRHXSIWSAL-CYBMUJFWSA-N 366.383 4.173 0 40 FIAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(F)cc1 13479866 ZOEORPWRDSHSJG-UHFFFAOYSA-N 352.409 4.028 0 40 FIAB CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](C/C=C/CCCC(=O)O)[C@H]2CO[C@@H]1C2 13527427 LQANGKSBLPMBTJ-MEMNDMRESA-N 350.499 4.336 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N[C@H]2CCSc3ccccc32)cc1 14015776 UUECNYOBPSKPFO-KRWDZBQOSA-N 372.515 4.090 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)Nc2ccccc2OC)cc1OCC 18174212 OICTYJCQQKQPHW-AWEZNQCLSA-N 358.438 4.375 0 40 FIAB O=C(Nc1cccc(-c2cccc(F)c2)c1)c1ccccc1Cn1cncn1 19349821 NWFKSKYSIKWWON-UHFFFAOYSA-N 372.403 4.385 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1Cl 20030002 VCRCIQJDQDKXLV-LLVKDONJSA-N 374.289 4.432 0 40 FIAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(Cc1ccccc1)CO3 20403900 WMOTYLLGVYZAJJ-UHFFFAOYSA-N 355.821 4.415 0 40 FIAB C[C@@H]1CN(Cc2csc(=S)n2-c2c(F)cccc2F)C[C@@H](C)O1 20444784 SCXNZAJOVQPDFV-GHMZBOCLSA-N 356.463 4.156 0 40 FIAB CCCn1c(C)cc(C(=O)COc2cccc(NC(=O)OCC)c2)c1C 20988292 ZVWPIJLPYDACAR-UHFFFAOYSA-N 358.438 4.345 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 21596360 AZUPXQYGGGNYHC-UHFFFAOYSA-N 353.919 4.189 0 40 FIAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)NCc2ccccc2)c(C)c1 21977512 XWOZBUSMZWKISD-QGZVFWFLSA-N 365.502 4.286 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1)c1ccco1 23055314 FQSUHXCZUSPHBC-HXUWFJFHSA-N 374.440 4.379 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1ccc(C)c(C(F)(F)F)c1 24872077 YWAHYYNETVRZNT-UHFFFAOYSA-N 353.340 4.430 0 40 FIAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2ncccc2Cl)c(C)c1 24977745 SODZVBTUHQJUQX-LBPRGKRZSA-N 363.870 4.181 0 40 FIAB O=C1c2ccccc2-c2nn(C[C@@H](O)c3ccc(F)cc3)c3cccc1c23 28917178 MWESLIQGXNIHKV-LJQANCHMSA-N 358.372 4.120 0 40 FIAB O=C(NC(C1CC1)C1CC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 29384047 DBTZHIXUAOCJQX-HXUWFJFHSA-N 361.441 4.059 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(F)cc1 30131022 OIBQAONGUGGJRW-LBPRGKRZSA-N 353.846 4.155 0 40 FIAB C[C@@H]1Cc2cc(-c3cc(CC(=O)NCCC4=CCCCC4)no3)ccc2O1 35592860 BSFCKZCLOHNUGE-OAHLLOKOSA-N 366.461 4.214 0 40 FIAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(C3CC3)nn12 36615720 CCNGEEJTZWKYHZ-UHFFFAOYSA-N 362.216 4.367 0 40 FIAB COc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 36739816 OHEGPIBXEXUNGY-HXUWFJFHSA-N 374.440 4.195 0 40 FIAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1cc(Cl)cc(Cl)c1 40096675 VJWJRBKGVLZQLU-AWEZNQCLSA-N 361.175 4.127 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1OC 45387628 IFFPBNZUILRSAR-NSHDSACASA-N 358.825 4.330 0 40 FIAB C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 48277648 YNAIQORLTPEIES-LLVKDONJSA-N 373.305 4.216 0 40 FIAB CCOc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2)cc1OC 48286567 FYZYMYJUXSJZQN-UHFFFAOYSA-N 371.824 4.185 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)cc1 48513655 ZRNRFSVRQREYMF-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB O=C(NC1CCSCC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 58418730 HWOXXSLGIRYPCW-HXUWFJFHSA-N 365.502 4.006 0 40 FIAB CCN1C[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)CC1=O 58735744 FUWJWPMHVJKHAB-AWEZNQCLSA-N 372.852 4.248 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN1c1nccs1 71843917 PQBUBMRVUIDCBC-QGZVFWFLSA-N 357.479 4.072 0 40 FIAB Cc1ccccc1C(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165838 BFXFDKMEMDEOQY-ZWKOTPCHSA-N 352.434 4.285 0 40 FIAB CCO[C@@H]1C[C@H](NC(=O)Cc2csc(-c3ccc(C)o3)n2)C12CCCC2 76068023 RAJGTOIHTZFBNM-DLBZAZTESA-N 374.506 4.108 0 40 FIAB O=C(NCc1cccs1)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200241 IQFITEUTIVLWPL-HZPDHXFCSA-N 373.478 4.107 0 40 FIAB COC(=O)c1ccncc1C(=O)OCc1sc2ccccc2c1Cl 83897514 YTQTWKXSIQIXJN-UHFFFAOYSA-N 361.806 4.093 0 40 FIAB Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c(C)n1C1CC1 84079532 UAUJSDSHHPLZEA-HZPDHXFCSA-N 367.493 4.306 0 40 FIAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1c(Cl)cccc1Cl 89505566 PHSZUPYVRGKKHN-UHFFFAOYSA-N 362.282 4.188 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)c(C)c1 95915141 HZBAMCCQYZJZDD-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB CS(=O)(=O)c1cccc(NCc2cnoc2-c2ccc(Cl)s2)c1 95972082 CLKHQMUCNRWPAK-UHFFFAOYSA-N 368.867 4.072 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)c1C 96002231 BHKLGXUDIXRQBV-CYBMUJFWSA-N 368.481 4.169 0 40 FIAB O=C1CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)ccc2N1 108690845 WPXSXXQBWHDTLM-WOJBJXKFSA-N 356.425 4.467 0 40 FIAB CCOC(=O)c1sc(NC(=O)OCc2ccccc2)nc1C(F)(F)F 199817628 YFGBFCJFUZEYQQ-UHFFFAOYSA-N 374.340 4.087 0 40 FIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)c(Cl)c1 216467083 FSVBUDPMXQTWJS-PKNBQFBNSA-N 359.809 4.177 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 219516433 GZSHQBFQLXHSTJ-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2cc(C)ccc2C)cc1 224043076 VFZHLUIXMVUWSP-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1 224096066 JVXBNYLKEUJOJR-KRWDZBQOSA-N 371.477 4.090 0 40 FIAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C 224120092 ATXOEXBTDANDBR-SFHVURJKSA-N 353.462 4.355 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224169535 XZNFTGHGWXSQLP-LJQANCHMSA-N 361.869 4.309 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225022640 MKCAMMBYVPXSRX-GFCCVEGCSA-N 358.488 4.028 0 40 FIAB Cc1ccc(SCCC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 225022698 WWNSTLYUGBNPOX-UHFFFAOYSA-N 358.488 4.029 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c1 225538486 LEYAIGIQSFDTQP-OAHLLOKOSA-N 355.507 4.053 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(O[C@H]2CCSC2)c1 225720788 OROAULWIYVFZSW-LBPRGKRZSA-N 352.818 4.011 0 40 FIAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 245562007 VHFXWPVSOHUREJ-KSSFIOAISA-N 373.472 4.018 0 40 FIAB CC(C)Oc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc1 408803943 VCHFRQQXAMDUAL-UHFFFAOYSA-N 357.430 4.376 0 40 FIAB Cc1cc(C)c2cc(CN3CC[C@H](OCc4c(C)noc4C)C3)[nH]c2c1 585084635 WSDZCPHQBFYUGW-SFHVURJKSA-N 353.466 4.181 0 40 FIAB O=C(c1ccc(OC2CCCC2)cc1)N1CCC(Nc2ccccn2)CC1 1178094765 LTXMXIQAKLGPMT-UHFFFAOYSA-N 365.477 4.120 0 40 FIAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccco1 629213 HIVJGSJOBIRQBU-LJQANCHMSA-N 371.483 4.383 0 40 FIAB O=C(Oc1ccc(I)cc1)c1cc2ccccc2o1 995107 IJODOLTXHRETTG-UHFFFAOYSA-N 364.138 4.257 0 40 FIAB CCOc1ccc(NC(=O)[C@H](Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)O)cc1 1088594 AOVBKLOZAUDWCY-OXQOHEQNSA-N 369.461 4.220 0 40 FIAB CC(=O)Oc1cc2c(C(=O)NCc3ccncc3)c(C)oc2c2ccccc12 1236055 XJQQKQFOQACZBL-UHFFFAOYSA-N 374.396 4.145 0 40 FIAB CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1C(F)(F)F 1390370 BPSANLPFNJBDTR-UHFFFAOYSA-N 369.730 4.245 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 1406232 BFGJKHVCAWKIKK-AWNIVKPZSA-N 363.505 4.214 0 40 FIAB O=C(OCC1c2ccccc2-c2ccccc21)N1C2CCC1(C(=O)O)CC2 2524294 PBLYOUWKNGCNAL-UHFFFAOYSA-N 363.413 4.017 0 40 FIAB CCC(NC(=O)OCCOc1ccccc1)(C(F)(F)F)C(F)(F)F 3094914 AVFLTKFJWKCRHA-UHFFFAOYSA-N 359.266 4.065 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C)s3)n2)cc1 3335692 QDWJSOYMNHSQRY-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(C)cc1)N1CCCC1 3339978 XDMMMCAWRLXGAS-OAQYLSRUSA-N 365.473 4.096 0 40 FIAB CCSc1nnc(NC(=O)Cc2coc3cc4c(cc23)CCC4)s1 3524626 OVQYKYPTBQYZHB-UHFFFAOYSA-N 359.476 4.066 0 40 FIAB COc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1Cl 4077441 HEDWPQRVACNPQK-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1OC 4790888 IPTXZXLNWYUTNY-UHFFFAOYSA-N 373.412 4.271 0 40 FIAB O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1CCCN(c2ncccn2)C1 4966163 NSCYFSAHCNNRRU-LJQANCHMSA-N 364.493 4.379 0 40 FIAB CCc1ccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)cc1 5245237 JXEWVDZPCMDJBB-UHFFFAOYSA-N 374.835 4.346 0 40 FIAB CCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 5463836 KNXMQPFDBOSCFL-UHFFFAOYSA-N 372.490 4.013 0 40 FIAB C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3cccc(Cl)c3)cc2C1 5936169 PISCEPAFZPWEPT-NSHDSACASA-N 363.866 4.322 0 40 FIAB CC(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 6345816 HCQDHEWJQLMMTF-AWEZNQCLSA-N 372.852 4.119 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(s1)CCCCC2 6553148 FVGNCJXYYWUBSO-UHFFFAOYSA-N 358.463 4.236 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 6713230 GUJXLNAOJQJGAN-GFCCVEGCSA-N 356.447 4.056 0 40 FIAB CCN1C2=C(C(=O)CCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O 6953047 IUJNLCGTIMCCFY-UHFFFAOYSA-N 366.417 4.028 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)o2)c1C 7645632 SKRVZQXIDCORKU-ZDUSSCGKSA-N 369.446 4.248 0 40 FIAB CCCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC 7787129 IKNWCCGQBOUJDG-LFIBNONCSA-N 371.820 4.482 0 40 FIAB O=C(O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 8190098 BQLUVVMUWHQLGQ-UHFFFAOYSA-N 358.353 4.445 0 40 FIAB COc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1F 8326759 QIIRVFKLQOHIEC-UHFFFAOYSA-N 357.381 4.057 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1nnc(Cc2ccc(Cl)cc2)s1 8739466 IUXPOHWWZFOILZ-DHZHZOJOSA-N 355.850 4.434 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3ccccn3)cc12 9217499 XSJPJYDONUOAAT-UHFFFAOYSA-N 367.405 4.287 0 40 FIAB CN(C)C(=O)C1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 9446079 NUBDQKBTJNHHBC-UHFFFAOYSA-N 372.515 4.056 0 40 FIAB O=C(CC1CCCC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 9503691 JABKPOSULVNLNM-UHFFFAOYSA-N 359.857 4.461 0 40 FIAB CCOc1cccc2c1N(C(=O)CSc1nccn1C)C(C)(C)C=C2C 9938330 UXNOZVZCUGYWTO-UHFFFAOYSA-N 371.506 4.140 0 40 FIAB Cc1ccc(CCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 10110595 NRESHGFWFBTFMF-UHFFFAOYSA-N 372.317 4.354 0 40 FIAB COc1ccc(-c2n[nH]cc2C(=O)Nc2nc3ccc(F)cc3s2)cc1 10894586 LYYXVDOBCQVJHU-UHFFFAOYSA-N 368.393 4.086 0 40 FIAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(OC(F)F)cc1 12621542 LZSUSGQKSBDVNO-AWEZNQCLSA-N 353.365 4.394 0 40 FIAB O=C(Nc1cccc2c1CCCC2)c1ccc(OC[C@@H]2CCCO2)cc1 12757307 FALBGTXKRNVAOG-IBGZPJMESA-N 351.446 4.376 0 40 FIAB CCc1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCCC3)c1 12846708 PBMOCDCFWUNVHO-UHFFFAOYSA-N 365.399 4.372 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2cc(Cl)ccc2[nH]1 12984342 PFZWZOXUQAVYTO-UHFFFAOYSA-N 356.809 4.212 0 40 FIAB O=C(CCN1c2ccccc2Sc2ccccc21)NCc1ccncc1 14360351 INOVVDJHKIQTSN-UHFFFAOYSA-N 361.470 4.391 0 40 FIAB CC[C@@H](C(=O)Nc1ccc(C)cc1C)n1nnc(-c2ccc(Cl)cc2)n1 15190274 LFEMNSPQTCPNEI-KRWDZBQOSA-N 369.856 4.200 0 40 FIAB CCCCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccccc1 15192239 XBDKYBZUERWRBR-UHFFFAOYSA-N 352.413 4.162 0 40 FIAB C[C@H]1c2cccn2CCN1Cc1ccc(CN2CCn3cccc3[C@@H]2C)cc1 15415645 APEIFEBSZIHGDM-PMACEKPBSA-N 374.532 4.443 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCN(Cc2ccccc2)C1 15539456 NPFQITMNVNKDMI-DEOSSOPVSA-N 370.496 4.287 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3nsnc3c2)cc(C)c1Cl 15841251 WRRCCOOXORFJID-LLVKDONJSA-N 361.854 4.368 0 40 FIAB COc1ccccc1CN1CCCC[C@H]1c1n[nH]cc1-c1onc(C)c1C 19558014 WJMAOTLTJZSVTJ-SFHVURJKSA-N 366.465 4.417 0 40 FIAB Cc1nc([C@@H](Cc2ccsc2)NC(=O)CCc2cccnc2)sc1C 19559749 NKTRWLIUMTVZSX-QGZVFWFLSA-N 371.531 4.249 0 40 FIAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(CN2CCCC2=O)c1 19717162 QUTYOUIDLVHCOY-FQEVSTJZSA-N 368.452 4.171 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(C)cc2)C4)cc1 20632446 QJKYILHVCMKLFV-GOSISDBHSA-N 368.440 4.321 0 40 FIAB COc1cc(CNC2CCN(C3CC3)CC2)ccc1OCc1cccs1 22820477 DXGMFIRLLMKCBJ-UHFFFAOYSA-N 372.534 4.052 0 40 FIAB CCc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccccc3C)n2)cc1 23393762 HJOHFFSIBHMKSQ-INIZCTEOSA-N 363.461 4.417 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 24959255 AYSOUAZSXWQUOY-OXQOHEQNSA-N 370.468 4.074 0 40 FIAB C[C@H](NC(=O)C[C@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 25047881 BYZFUNHQDREUND-XOBRGWDASA-N 369.436 4.140 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cl)cc1Cl 27935544 HQKAUXDBZKULKX-UHFFFAOYSA-N 365.138 4.425 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccn(Cc2ccccc2)n1 28247408 ABRONFFASQEGTM-OAHLLOKOSA-N 369.852 4.299 0 40 FIAB Cc1ccc2[nH]c(C(=O)NCc3c(C)nn(Cc4ccccc4)c3C)cc2c1 29552686 VZZYCOBPHFNZDJ-UHFFFAOYSA-N 372.472 4.268 0 40 FIAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCc2ccccc2C1 32633422 WHDLVSSOMNYHHX-UHFFFAOYSA-N 371.484 4.475 0 40 FIAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cccc2ccccc12 32910779 QOQORQVADQXDNP-CQSZACIVSA-N 367.832 4.355 0 40 FIAB CCc1ccccc1N[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 36635854 DFHYCWYRSRYVKZ-CQSZACIVSA-N 363.244 4.300 0 40 FIAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(Cl)cc1Cl 41096607 UTDAGELAMWVYHB-LLVKDONJSA-N 356.274 4.442 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 49700761 ZNYHUNURVNKCIQ-UHFFFAOYSA-N 360.457 4.140 0 40 FIAB Cc1ccc(CN(C)[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)o1 57315269 QQXPWKDOJPVIDM-YPMHNXCESA-N 371.506 4.204 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1F 58430657 QHSPNPHSOCSVKX-SNVBAGLBSA-N 362.455 4.316 0 40 FIAB Cc1nc(NC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)oc1C 65803275 UNBUYMRWQVZTGH-LBPRGKRZSA-N 351.809 4.323 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)C12CCCCC2 71285232 PQCCFCTUQIKRFY-DNVCBOLYSA-N 354.494 4.006 0 40 FIAB O=C(NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)C1CCCC1 72346375 QZHAHGGYBQBJBO-UHFFFAOYSA-N 373.497 4.224 0 40 FIAB O=C(c1ccncc1)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 72349141 LLRIADZHZAKNDW-SFHVURJKSA-N 361.420 4.303 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(C4CC4)nc3c2)cc1OC 79493168 OVJKWKFSARFCHD-UHFFFAOYSA-N 365.433 4.029 0 40 FIAB CCc1ccc(CN(C(=O)NCc2c(CC)noc2CC)C2CC2)cc1 88631080 RRSRKIBTMQOZRZ-UHFFFAOYSA-N 355.482 4.236 0 40 FIAB CC(C)(C)c1ccc(NC(=O)N2CCC(Oc3ccccn3)CC2)cc1 96024714 IXVKYMDWTYPYJR-UHFFFAOYSA-N 353.466 4.454 0 40 FIAB O=C(c1cccs1)N1CCC2(CCN(Cc3ccc(F)cc3)CC2)CC1 96047298 RNGOFOUAKLPKBU-UHFFFAOYSA-N 372.509 4.406 0 40 FIAB CCOc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1 101170506 RWXNRLJWWKQCPH-QFBILLFUSA-N 358.438 4.159 0 40 FIAB COc1ccc(C2=NN3[C@H](CCSC)Oc4ccccc4[C@H]3C2)cc1 102752741 MKXULTBIOLSYCQ-QUCCMNQESA-N 354.475 4.318 0 40 FIAB C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 110191452 WGRHVAMXNMXCDS-HNNXBMFYSA-N 367.880 4.340 0 40 FIAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)cc3)CCOCC2)cc1 110224165 ADCOXYPFKSAJDM-UHFFFAOYSA-N 353.462 4.469 0 40 FIAB O=C(N[C@H]1CCc2c(O)cccc21)c1nc(-c2ccccc2)oc1C1CC1 111600427 PLVWWJXELRRLKC-KRWDZBQOSA-N 360.413 4.342 0 40 FIAB CSc1ccc(C(=O)Nc2nnc(SCc3cccs3)s2)o1 112393282 LGRIRUDYVWXRLF-UHFFFAOYSA-N 369.518 4.459 0 40 FIAB Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@@H]3CCCc4occc43)nc2c1 194664160 NEYGDQOGJNUQMS-QAPCUYQASA-N 364.449 4.388 0 40 FIAB CCCC[Sn](CCCC)(CCCC)c1cn[nH]c1 195926974 JPWUNFPCMJPDPQ-UHFFFAOYSA-N 357.130 4.466 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2Cl)cc1Cl 224157077 ZJCXKGCYQPRDLD-ZDUSSCGKSA-N 368.260 4.264 0 40 FIAB CCCCOCc1cc(C(=O)N2CCc3ccccc3C2)ccc1OC 224441704 PAOMSXQWRVJPCE-UHFFFAOYSA-N 353.462 4.210 0 40 FIAB CCCC[C@@H](CC)CNS(=O)(=O)c1cc2c(cc1OC)CCCC2 225119395 JQQFDKMPHAUPGB-OAHLLOKOSA-N 353.528 4.069 0 40 FIAB Cc1ccccc1NC(=O)CCNC(=O)c1ccc2sc(Cl)nc2c1 225980155 UTIOFHQOXWXQCN-UHFFFAOYSA-N 373.865 4.017 0 40 FIAB CC(C)C(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C(C)(C)C)nn32)CC1 257252645 JVOMTSDLJQXIQM-WKILWMFISA-N 356.514 4.073 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4)OCC[C@@]31C2 257320068 VVFIIRIIUQTAQX-XSGQZRFPSA-N 357.494 4.104 0 40 FIAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 408614487 CTIFVLOQIZZNMK-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 408624853 CPUAMJPOUAAAEO-CYBMUJFWSA-N 370.474 4.098 0 40 FIAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(OC(C)C)cc3)o2)cc1 408714221 LQYDDUPFFUEMNA-UHFFFAOYSA-N 365.433 4.104 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3cc(C)cc(C)c3)c(=S)o2)cc1 409174978 XARXLRRDGJJZNZ-UHFFFAOYSA-N 353.447 4.437 0 40 FIAB COc1cc(-c2noc(CN3CC(C)(C)[C@H]3c3cccnc3)n2)ccc1C 664822954 KTWGFLNSCWRUDL-LJQANCHMSA-N 364.449 4.032 0 40 FIAB O=C(c1cc(F)ccc1F)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 674739905 ITIBBHRTPBKATR-UHFFFAOYSA-N 355.306 4.298 0 40 FIAB CC(C)Oc1ccc(NC(=O)c2csc(N3CCCCC3)n2)c(F)c1 1125555682 OVLPCSALUMCBOA-UHFFFAOYSA-N 363.458 4.312 0 40 FIAB CCc1ccc(OS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cc1 1184679375 TYSCXXKYCWKBDG-UHFFFAOYSA-N 361.246 4.332 0 40 FIAB CC(=O)Oc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 704854 BUKMRUKQAKTXLM-CPNJWEJPSA-N 363.413 4.254 0 40 FIAB O=c1sc2c(n1-c1ccccc1)SC[C@@H]1COc3ccccc3[C@@H]21 944562 ZDUJYIXEKXHKER-LRDDRELGSA-N 353.468 4.145 0 40 FIAB CC(=O)N1c2ccc(-c3csc(NC(=O)CC(C)C)n3)cc2C[C@H]1C 1365474 UNJDWYOPSPXGBE-GFCCVEGCSA-N 357.479 4.092 0 40 FIAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 1402881 PVKQJNCAUIZAPW-UHFFFAOYSA-N 363.649 4.303 0 40 FIAB COc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)cc(OC)c1OC 1516590 RATDDWGYOWCIFQ-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1ccccc1Cl 2483840 GLGNLNAEAKAPEN-GOSISDBHSA-N 371.845 4.334 0 40 FIAB CCc1cc2c(SCC(=O)Nc3ccc(Cl)cn3)ncnc2s1 2625364 NVMVTCBDIASTEJ-UHFFFAOYSA-N 364.883 4.033 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 3234905 PPTSRPFDHCPXEZ-UHFFFAOYSA-N 374.466 4.460 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C)on3)c2n1 3361162 YXVACVPMSPHONX-UHFFFAOYSA-N 366.204 4.164 0 40 FIAB O=C(CSC(=S)N1CCCC1)Nc1ccccc1-c1ccccc1 3408315 DYXUQGXAJJNBAQ-UHFFFAOYSA-N 356.516 4.406 0 40 FIAB CCC[C@@H](C)NC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3575980 XPZCYIJPJBLZOV-GFCCVEGCSA-N 364.540 4.295 0 40 FIAB COc1cccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)c1OC 3885084 BPQVIKMJNIHOPM-OUKQBFOZSA-N 361.397 4.437 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)c(C)c1 4539350 QWSJOOFWMNTZSL-QGZVFWFLSA-N 367.923 4.393 0 40 FIAB O=c1[nH]c2c(cc1C1=NN(c3ccccc3)[C@H](c3ccco3)C1)CCCC2 4625066 AMIZAQUXJAXNFK-FQEVSTJZSA-N 359.429 4.202 0 40 FIAB COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1N1CCCC1=O 5441051 LWWHOXIMGNTMRV-UHFFFAOYSA-N 359.813 4.119 0 40 FIAB C[C@@H]1CCc2c(sc3ncn(Cc4nc5ccccc5s4)c(=O)c23)C1 6087837 KMRDMFVSGKDLOL-LLVKDONJSA-N 367.499 4.241 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1C 6140403 AHHJFNXETBVXNG-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)COc1cc(OC)ccc1C(C)=O 6561200 BJMAHUQFMBIGLP-CQSZACIVSA-N 355.434 4.429 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)CCCN1C(=O)c2ccccc2C1=O 7264176 IZKBDQGUFPYAFZ-UHFFFAOYSA-N 364.445 4.133 0 40 FIAB CCCc1nnc(CSc2nnc(-c3ccc(Cl)cc3)n2CC)o1 7604668 NWEYBCYIPPOLEI-UHFFFAOYSA-N 363.874 4.246 0 40 FIAB CC(=O)c1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1 7612402 NZHDBYHLVRFMTA-UHFFFAOYSA-N 354.793 4.108 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 7643902 HTSAVNKAHSDFKL-UHFFFAOYSA-N 350.340 4.098 0 40 FIAB COc1ccc([C@@H](CNC(=O)CCc2ccsc2)N2CCCCC2)cc1 8428377 YOSWODSXQFMVPB-HXUWFJFHSA-N 372.534 4.033 0 40 FIAB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc(C(C)(C)C)cc1 8428585 VLOGDGPJTRBQLW-CYBMUJFWSA-N 354.479 4.146 0 40 FIAB O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2cccs2)n1 9048513 XUVSZNJNFZJAQO-UHFFFAOYSA-N 359.863 4.283 0 40 FIAB COc1ccccc1NCC(=O)N[C@H](c1ccc(C)cc1)c1cccs1 9221039 VTJBQLQXESCMBB-OAQYLSRUSA-N 366.486 4.383 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(Cl)cc1Cl 9315312 HLOBVEYLYGVEDD-UHFFFAOYSA-N 365.260 4.321 0 40 FIAB O=C(Nc1cccc(Br)c1)c1cccnc1SC(F)F 9447388 YQICIOQSFOLYFV-UHFFFAOYSA-N 359.195 4.411 0 40 FIAB COc1ccc2cc(CN(C)C(=O)CN(C)C3CCCCC3)ccc2c1 10051315 FDPLUKNAWOUIDJ-UHFFFAOYSA-N 354.494 4.071 0 40 FIAB Cc1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c2cnn(C(C)C)c2n1 10965283 JPNLHXKBRKPMDW-ZDUSSCGKSA-N 356.857 4.465 0 40 FIAB Cc1ccc(OCC(=O)NCc2ccccc2Cl)c2c1[C@H](C)CC2=O 11052337 QGTSSFPYUPEIQT-CYBMUJFWSA-N 357.837 4.034 0 40 FIAB O=C(COc1ccc(Br)cc1)N[C@@H](c1ccccc1)C1CC1 11207598 RARNZHOWGWCGMS-SFHVURJKSA-N 360.251 4.095 0 40 FIAB CC[C@H](C(=O)Nc1ccc(C)cc1)n1c(=O)cc(C)c2cccc(OC)c21 11999994 MOALOBOLVPZOGA-GOSISDBHSA-N 364.445 4.217 0 40 FIAB CCc1nc2cc(NC(=O)c3ccc4nc(C)sc4c3)ccc2n1C 12147376 DYASWILNOLNRNN-UHFFFAOYSA-N 350.447 4.306 0 40 FIAB Cc1ccc(CNC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 12265891 QZJZAGZTDWLCPB-UHFFFAOYSA-N 356.372 4.177 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(-n2cccn2)cc1 12479626 HBRDHYXFSHRVHY-UHFFFAOYSA-N 359.385 4.193 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)COc3c(C)cccc3C)o2)cs1 12618871 OJIHSTSBHBAAIU-UHFFFAOYSA-N 356.447 4.024 0 40 FIAB COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1OCc1ccccc1 12754896 JZEVLGIRSCPREN-IAGOWNOFSA-N 353.462 4.392 0 40 FIAB CC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1 12789706 PSWVFGKLZHGQIO-INIZCTEOSA-N 353.462 4.344 0 40 FIAB Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@H]2CCCC[C@H]2C)n[nH]1 12845295 LIHSSUMCLUVOFT-GMZAYQHBSA-N 370.522 4.071 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)c(F)c3)cc(C3CC3)nc21 12915357 GOQNJIIPKFIKPY-UHFFFAOYSA-N 356.376 4.420 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 13734817 YKFDOIPDCNGRGN-QGZVFWFLSA-N 362.477 4.047 0 40 FIAB C[C@@H](Sc1ncnc2sccc12)C(=O)NCc1ccc(Cl)cc1 14138489 GPMDDUGDGXXNIZ-SNVBAGLBSA-N 363.895 4.142 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1F 14185322 PLWOBUQQWFNZNE-UHFFFAOYSA-N 366.186 4.017 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 14467559 HEPMWJQEHKTJBC-UHFFFAOYSA-N 364.426 4.272 0 40 FIAB Cc1cccc(OCC(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 15191778 QGQNXVIMDPCKEO-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB Cc1cc(-c2cnn(C)c2[C@H]2CCCCN2C(=O)CC2CCCCC2)on1 19124392 RQMAMMJPZRGVLQ-GOSISDBHSA-N 370.497 4.408 0 40 FIAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C)C1 19448915 SHIQQZFNKLNZFI-HSZRJFAPSA-N 350.506 4.133 0 40 FIAB COc1ccc(-c2c(C)nn3c(NCc4ccncc4)c(C)c(C)nc23)cc1 19555644 WYRVFTHSEWCFNE-UHFFFAOYSA-N 373.460 4.337 0 40 FIAB COc1cccc(CN2CC[C@](O)(c3ccccc3)C2)c1OC1CCCC1 19568161 LJJYLZIJLYWRED-HSZRJFAPSA-N 367.489 4.110 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCc2ncc(-c3ccccc3)o2)cc1F 21403707 MAGQQWQRXVFQOA-AWEZNQCLSA-N 368.408 4.299 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccnc1Cl 21595890 BGPGERJNSDYCSV-UHFFFAOYSA-N 363.914 4.155 0 40 FIAB O=C(c1ccccc1Cl)N1CCC(c2nnc(-c3ccco3)s2)CC1 23140801 CPLAJRIAENGZFN-UHFFFAOYSA-N 373.865 4.471 0 40 FIAB Cc1ccc(C(=O)NCC(=O)OCc2ccc(-c3ccccc3)cc2)s1 23972174 NVKIQMQCZBVKQG-UHFFFAOYSA-N 365.454 4.197 0 40 FIAB Cc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C 24662523 KKBREBAHSAMIGR-QGZVFWFLSA-N 363.461 4.263 0 40 FIAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1[C@H](C)c1ccccc1 24759503 NQRUWULFGDNYJC-CQSZACIVSA-N 374.444 4.136 0 40 FIAB CC[C@H](C)Cc1c(C)sc2nc(SC[C@@H]3CCCO3)[nH]c(=O)c12 25255516 GGJPEZVSAYASDL-JQWIXIFHSA-N 352.525 4.153 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25331661 KJIWDTACLCRKQK-SFHVURJKSA-N 373.909 4.291 0 40 FIAB Cc1ccc(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C 26114416 JSVSYLMHFJEJHI-UHFFFAOYSA-N 356.897 4.157 0 40 FIAB Cc1cccc(C2=N/C(=C\c3cc(C)n(-c4cc(C)on4)c3C)C(=O)O2)c1 26433601 ZATZGSXNKLSFBQ-WQRHYEAKSA-N 361.401 4.043 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1 30854434 PPUZCSVFVVFZSO-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1nc(NC(=O)c2ccco2)sc1-c1nc(-c2cccs2)no1 32069495 YWUKEVORGKHHIW-UHFFFAOYSA-N 358.404 4.075 0 40 FIAB O=C(Nc1ccnn1Cc1ccco1)c1cc(-c2ccc(Cl)cc2)on1 32594237 VQFRGQHCRUNAPB-UHFFFAOYSA-N 368.780 4.085 0 40 FIAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCC(F)(F)F 32900005 WDBMFQVCQFGWNF-UHFFFAOYSA-N 368.302 4.050 0 40 FIAB Cc1ccccc1CN1CCCN(Cc2coc(-c3ccccc3)n2)CC1 32913830 OQMPDBFYUKODCE-UHFFFAOYSA-N 361.489 4.358 0 40 FIAB CC1CCN([C@H](CNC(=O)/C=C/c2cccs2)c2cccs2)CC1 33028233 CZOMGRXCMLGTDW-DKRLNXSXSA-N 360.548 4.412 0 40 FIAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cccc(-n4cccn4)c3)c2C1 35316585 AZRIMPCTKNEYJU-CQSZACIVSA-N 364.449 4.264 0 40 FIAB O=C(NCc1ccco1)c1cc2occc2n1Cc1ccccc1Cl 35475346 ASCJFTYWHRNKIJ-UHFFFAOYSA-N 354.793 4.459 0 40 FIAB COc1ccc2nc(N(Cc3ccccn3)C(=O)C3CCC3)sc2c1 36691466 ZSSBWCBIZKGPAB-UHFFFAOYSA-N 353.447 4.033 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(Br)o2)cc1 40023526 SWDLHZQNKPZMAH-UHFFFAOYSA-N 360.211 4.097 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57129186 BQYOMJGCVKVJDE-UHFFFAOYSA-N 363.848 4.430 0 40 FIAB CC1=NN(c2ccc(C(=O)N3CCCSc4ccccc43)cc2)CC1 58189661 QVFQAMMRWHHAEE-UHFFFAOYSA-N 351.475 4.415 0 40 FIAB COCc1c(C(=O)Nc2c(C)cnn2CC2CC2)sc2cccc(F)c12 58420235 OVUZWHFFKOSCKZ-UHFFFAOYSA-N 373.453 4.354 0 40 FIAB c1ccc(-c2csc3ncnc(NCCCNc4ncccn4)c23)cc1 59350208 LJQGABHZNNRGGJ-UHFFFAOYSA-N 362.462 4.062 0 40 FIAB Cc1cccc(NC(=O)CN2CCC(COCc3ccccc3)CC2)c1C 70637165 XHVCXRYVBRFQSY-UHFFFAOYSA-N 366.505 4.171 0 40 FIAB CN(C)c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1N 72229268 HYGXXBJIENZCRG-UHFFFAOYSA-N 368.662 4.003 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)N(C[C@@H]1CCOC1)c1ccccc1 73743236 DPMJEGYSQSLYHR-AWEZNQCLSA-N 364.367 4.092 0 40 FIAB CCC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc21 76555388 QPIXORYRWBDIFN-UHFFFAOYSA-N 354.475 4.495 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1CSc1cccc(Br)n1 79440730 NAPCQWPVGXRLGT-NSHDSACASA-N 373.316 4.336 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN1CCC(c2cccs2)CC1 85473436 AAOKYHLHQDNGIE-UHFFFAOYSA-N 364.898 4.228 0 40 FIAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cc(C)c(F)cc2Cl)cc1 95940152 FFINLHXWEDYPSX-GFCCVEGCSA-N 363.816 4.391 0 40 FIAB O=C(N[C@H](Cc1ccncc1)CC1CCCC1)c1cc(F)c(F)c(F)c1 96011989 AJKQWDGZGWNQOT-INIZCTEOSA-N 362.395 4.420 0 40 FIAB Cc1ccc(CN2CCO[C@]3(CCCN(c4cccc(F)c4)C3)C2)s1 96049077 PSHPBRNVAHWAKD-HXUWFJFHSA-N 360.498 4.067 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl)C31CC1 100173712 JKXYAGKENRLCMT-TXFQPVFDSA-N 367.754 4.060 0 40 FIAB O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 108345953 DSANJXOGBUVNDF-XEZPLFJOSA-N 369.852 4.362 0 40 FIAB O=C(NC[C@H]1CCOc2ccccc21)c1occc1COc1ccccc1 108736540 PDPGRMZNNLPLRJ-MRXNPFEDSA-N 363.413 4.155 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 222852836 XLDQQBYEOGLMTM-MOPGFXCFSA-N 354.523 4.379 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 222988169 FAFFOJHJPPBPHB-HXUWFJFHSA-N 368.477 4.239 0 40 FIAB Cc1cc(OCC(=O)NCCOc2ccccc2C(C)C)ccc1Cl 223781580 XVVLFZHACRAYCP-UHFFFAOYSA-N 361.869 4.346 0 40 FIAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COCC(C)C 224455004 LJFOUAUXNIDRCK-UHFFFAOYSA-N 370.449 4.079 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 224959155 XUVNJAPAFPSGPR-NRFANRHFSA-N 368.477 4.482 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225252458 CHUHJRHBPNIBQH-INIZCTEOSA-N 353.462 4.048 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(F)(F)F)cc1Br 226275816 DAXZLVREHUMFIS-SECBINFHSA-N 365.193 4.329 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cccs2)c(C)c1 226285385 AAXQRWCDOBUBHZ-UHFFFAOYSA-N 356.369 4.224 0 40 FIAB CSc1cccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)c1 408597149 XMYJYRZBJCYFHW-UHFFFAOYSA-N 350.896 4.118 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1C 408638495 CPMVUBJBGHPRLZ-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)c1 408665176 OMRSJHIDRXEXJY-INIZCTEOSA-N 351.446 4.251 0 40 FIAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1c(F)cccc1Cl 408804422 FUSXKYJDSNUBLR-UHFFFAOYSA-N 351.785 4.381 0 40 FIAB Cc1cc(C(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@]2(O)C(F)(F)F)ccc1Cl 409179158 POGFEXBPRFRREM-HCYDYPBKSA-N 374.790 4.147 0 40 FIAB COc1cccc(C2=CCN(C(=O)c3[nH]c4ccccc4c3Cl)C2)c1 501661539 DYVVYJWBHDGJHW-UHFFFAOYSA-N 352.821 4.369 0 40 FIAB CC(C)c1csc([C@@H]2CCCN([C@H](C(=O)O)c3ccc(F)cc3)C2)n1 565485384 CWGROWMDRNPMTH-PBHICJAKSA-N 362.470 4.411 0 40 FIAB O=C(NCc1cc(-c2ccco2)cs1)c1cc(=O)c2ccccc2o1 1775969038 ULVRMYPCAFAWMV-UHFFFAOYSA-N 351.383 4.045 0 40 FIAB Cc1cccc(OC[C@H]2CCCN(C(=O)CCc3sccc3C)C2)n1 1775996041 RZJSHBMGVMYYCA-KRWDZBQOSA-N 358.507 4.010 0 40 FIAB Cc1cnccc1OCC1CCN(c2ccc(C(F)(F)F)cn2)CC1 1889108876 CRWFRKOFXKQZKD-UHFFFAOYSA-N 351.372 4.099 0 40 FIAB CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(OC)cc1C)NCC2 718296 RLQWVVKVUMGCBB-JOCHJYFZSA-N 355.478 4.345 0 40 FIAB COc1ccc(-n2ncc3c(Nc4cccc5c4CCCC5)ncnc32)cc1 756774 MKNZRENGAMYBPD-UHFFFAOYSA-N 371.444 4.447 0 40 FIAB CC(C)(C)NC(=O)Oc1ccc(Br)cc1Br 1738958 QQGXYQNYIJBKNE-UHFFFAOYSA-N 351.038 4.099 0 40 FIAB CC(C)OC(=O)[C@@H](C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 2004887 IKVXBIIHQGXQRQ-CYBMUJFWSA-N 363.816 4.466 0 40 FIAB biogenic,in-vitro Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2347428 ZCOKCRLTXMZKED-UHFFFAOYSA-N 357.866 4.419 0 40 FIAB CC(C)(C)NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 2523542 ACAXQJZYMAHNPN-UHFFFAOYSA-N 372.519 4.003 0 40 FIAB CCOc1ccc2nc(NC(=O)[C@H](CC)Oc3ccccc3)sc2c1 2749117 SDKDQOWNFQENSJ-INIZCTEOSA-N 356.447 4.491 0 40 FIAB Cc1ccc(NC(=O)c2ccn(COc3ccccc3F)n2)cc1Cl 2786746 SXTYYAVBJSRXKG-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1F 3230207 JCKJCZBCBHNAKD-CMDGGOBGSA-N 367.298 4.040 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 3334831 ZGAJRUIWYJRHTR-UHFFFAOYSA-N 367.426 4.482 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1OC(F)F 3573485 FVACHMWNKGFMNU-UHFFFAOYSA-N 369.751 4.045 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1 4331178 MPDBRGCKCWZSRU-UHFFFAOYSA-N 360.822 4.297 0 40 FIAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 4599234 HNLLBXWQUCHTRW-CKUKBARFSA-N 374.790 4.229 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 4748688 WLUAIVDEKOTKCS-HNNXBMFYSA-N 353.491 4.192 0 40 FIAB O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 5001801 NDAXDKYGMMIYBH-UHFFFAOYSA-N 369.852 4.028 0 40 FIAB CC(C)Cn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 5025899 NFJZCARGPOANSC-UHFFFAOYSA-N 374.444 4.180 0 40 FIAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccco1)nn3CC(C)C 5577383 DHYOJIIESZAWNM-UHFFFAOYSA-N 364.405 4.094 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 5834245 FYGLNFKVYCLRJP-OXQOHEQNSA-N 367.445 4.331 0 40 FIAB C[C@@H](Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)c1ccccc1 5881256 YZRMKZVTOGYVCN-OAHLLOKOSA-N 371.392 4.137 0 40 FIAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2ccccc2cc1O 6048928 VCAXUOUFTQBZQJ-UHFFFAOYSA-N 364.441 4.488 0 40 FIAB C[C@H]1CCc2c(sc3ncn(Cc4nc5ccccc5s4)c(=O)c23)C1 6087838 KMRDMFVSGKDLOL-NSHDSACASA-N 367.499 4.241 0 40 FIAB CC(C)/N=C1\S/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1C(C)C 6325053 CEYBBTASELBNFT-KDWIEBRMSA-N 369.490 4.272 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)ccc1Br 6377384 OSXMUFGGDWRINL-LLVKDONJSA-N 352.203 4.303 0 40 FIAB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc2ccccc2c1 6485911 OYHOEWLTSBSGFP-UHFFFAOYSA-N 371.339 4.237 0 40 FIAB COc1ccc2oc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cc2c1 6868001 ZXFTVRFXQBZWHY-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc1 6961579 LUFZTVBENIPFCJ-DEDYPNTBSA-N 372.424 4.373 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 7608624 ORLRYICJTMXSLB-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093789 BYNLMLPBHAAALI-CYBMUJFWSA-N 355.463 4.175 0 40 FIAB S=C(NCCSCc1ccco1)Nc1cccc(Br)c1 8105590 WRCABEMOYGQKEV-UHFFFAOYSA-N 371.325 4.262 0 40 FIAB CC[C@H](C)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 8106265 GBBKYMGZHRLTSZ-AWEZNQCLSA-N 361.463 4.018 0 40 FIAB CCOC(=O)c1sc(N)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1C 8228689 WTKZLOBNRMRTHQ-UHFFFAOYSA-N 372.368 4.087 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)Nc1cccc(C)n1 9096404 LQKMDIOUWPUHDO-WVLNKYAVSA-N 373.541 4.322 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)no1 9203908 NZNVGAQULLFQLQ-UHFFFAOYSA-N 370.253 4.183 0 40 FIAB Cc1cccc2cc(CN(C(=O)c3ccco3)c3ccccc3)c(=O)[nH]c12 9282081 YMNLRRHIFLKELG-UHFFFAOYSA-N 358.397 4.277 0 40 FIAB c1ccc(-c2cnc(CSc3nnc(NC[C@@H]4CCCO4)s3)o2)cc1 9885354 FBPVFGLKAHSIEM-ZDUSSCGKSA-N 374.491 4.076 0 40 FIAB Cc1cc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)ccc1F 10552299 KJUDVWGQSLPAMQ-UHFFFAOYSA-N 359.401 4.052 0 40 FIAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)c3ccc(F)cc3)o2)cc1 11642878 VAWQCTHJXZVZBL-UHFFFAOYSA-N 367.376 4.148 0 40 FIAB CCn1ncc(Cl)c1C(=O)N1CCC[C@@H](c2cc3ccccc3cn2)C1 12188213 AZYQMBWRZCWOQZ-MRXNPFEDSA-N 368.868 4.124 0 40 FIAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Br)ccc1F 12740254 IQUMHMMWFYUSCT-SCZZXKLOSA-N 368.168 4.439 0 40 FIAB CC(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c1 14136419 KGVOOMRXSOGPDT-UHFFFAOYSA-N 365.458 4.258 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O 14180902 OMKIYVWGOPAAPL-UHFFFAOYSA-N 372.852 4.263 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)s1 14596370 UHVVXNUQMDJRSR-UHFFFAOYSA-N 359.369 4.353 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)cc1 15935921 FCDUSAAYUYBVER-OAHLLOKOSA-N 355.413 4.017 0 40 FIAB COc1ccc(S(=O)(=O)Oc2ccccc2-c2ccccc2)cc1OC 16090250 HDUBLGNANOWZDV-UHFFFAOYSA-N 370.426 4.139 0 40 FIAB O=S(=O)(Nc1ccc(Br)cc1F)c1ccccc1Cl 16129494 SSNIRXNDLUGADP-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB Cc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 18120589 CPRBQPXRYRSCNB-UHFFFAOYSA-N 353.344 4.163 0 40 FIAB Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19237076 SKNMAQJMDWBFFF-HXUWFJFHSA-N 360.461 4.076 0 40 FIAB Clc1cccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 19293399 CIMSNFVHNDLMDB-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[C@@H]2CCCC[C@H]2C1 19405578 RESBUGNCGFBAKO-WMZOPIPTSA-N 372.472 4.344 0 40 FIAB Cc1c(CN[C@@H](C)c2cc(O)nc(-c3ccncc3)n2)oc2ccccc12 19566424 XXYOVZYSQRNBGM-AWEZNQCLSA-N 360.417 4.150 0 40 FIAB Cc1cccc(OC2CCN(C(=O)Cc3cccc4cccnc34)CC2)c1 19662623 ITGQUGOSTCRWHI-UHFFFAOYSA-N 360.457 4.156 0 40 FIAB CCCCOc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c2ccccc12 19943750 RYZYHIOQLMPLEA-MRXNPFEDSA-N 361.507 4.439 0 40 FIAB Cc1cc(OCC(=O)N(C)C2CCCCC2)cc(C)c1Br 20110418 CKQXAASCHWXNRI-UHFFFAOYSA-N 354.288 4.236 0 40 FIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1Cl 20451499 STCPHJFDITZUJH-DHZHZOJOSA-N 359.809 4.177 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Oc3c(C)cccc3C)o2)cc1 20899651 URZSWWXXXSBABU-UHFFFAOYSA-N 370.430 4.060 0 40 FIAB COc1ccc(-c2nn3c(N4CCCCC4)cc(C)nc3c2C)cc1OC 23118832 IOXHGXYLJDGBAA-UHFFFAOYSA-N 366.465 4.021 0 40 FIAB O=C(CSCc1ccccc1F)Nc1ccc(Br)cc1 23410811 WIGYYINXJQAUGZ-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CC(=O)c1cccc(OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 24584938 ZJVRNIGACQMODN-CQSZACIVSA-N 355.459 4.186 0 40 FIAB COc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c23)cc1NC(C)=O 24795793 JLYHYKXLOXKXBH-UHFFFAOYSA-N 351.406 4.004 0 40 FIAB COc1ccc(CC(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1 27923036 WMTVTIGSMYEMOL-UHFFFAOYSA-N 371.440 4.274 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1Cl 27994234 AFKZGGLDQKYBOL-IBGZPJMESA-N 372.896 4.224 0 40 FIAB Cn1c(COc2ccccc2Cl)nnc1S[C@@H]1CCCCCC1=O 29383138 YRRYABAGYYSVGC-OAHLLOKOSA-N 365.886 4.041 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 31334808 FMWJYOYZUBNVRI-GOEBONIOSA-N 374.868 4.005 0 40 FIAB NC(=O)c1ccc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)cc1 32070472 SRMYLKWHXIGWJV-UHFFFAOYSA-N 369.424 4.041 0 40 FIAB COc1ccc(-c2nc(=S)[nH]cc2Oc2ccccc2OC)c(O)c1 32501390 VAEWEHUXYMQDEB-UHFFFAOYSA-N 356.403 4.321 0 40 FIAB biogenic Cc1ccc2nc(C3CCN(C(=O)Nc4cccc(F)c4)CC3)[nH]c2c1 35291877 JAJAQMWAZRFNJG-UHFFFAOYSA-N 352.413 4.422 0 40 FIAB CN1CCCc2ccc(NC(=O)c3n[nH]c4c3C[C@H](C(C)(C)C)CC4)cc21 35316702 QDQQHHMUPNTWKZ-OAHLLOKOSA-N 366.509 4.195 0 40 FIAB Cc1ccccc1OCC(=O)Nc1nc(C)c(Cc2ccccc2)s1 36639438 UABJRWPKTAZUIR-UHFFFAOYSA-N 352.459 4.368 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(OC)cc1 38754220 NDZDOKDYNKPZKY-JOCHJYFZSA-N 363.457 4.365 0 40 FIAB COc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 38834172 CIRMMSKDWVYVPM-INIZCTEOSA-N 358.869 4.199 0 40 FIAB Brc1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42772171 HWYVIOVDMNSLNM-LLVKDONJSA-N 363.093 4.123 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N1CCCC1 44900420 QJUWXQUPRKBDLG-UHFFFAOYSA-N 374.440 4.337 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cccnc1N1CCCC1 47225894 GGRWCCUTJBKLMJ-UHFFFAOYSA-N 370.503 4.428 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cn2ccccc2=O)o1 48301793 MZSZQKIAURWYES-UHFFFAOYSA-N 370.408 4.409 0 40 FIAB CCC(CC)[C@H](NC(=O)C1CCN(c2ncccn2)CC1)c1cccs1 56008388 CFMHDICJLIDNBD-SFHVURJKSA-N 372.538 4.048 0 40 FIAB CCCc1noc([C@H](C)Nc2cccc(NC(=O)c3ccccc3)c2)n1 56174182 YXMKUYTZURUSSM-AWEZNQCLSA-N 350.422 4.448 0 40 FIAB Cc1nc(CSc2nnc(SCc3nc(C)c(C)o3)s2)oc1C 58168570 KJUOYUAFUDEMKD-UHFFFAOYSA-N 368.509 4.332 0 40 FIAB COc1ccc(-c2n[nH]c(S[C@@H](C)c3ccccc3F)n2)c(OC)c1 65999989 UWGKAKXRVNQNTN-NSHDSACASA-N 359.426 4.481 0 40 FIAB O=C(N1CCC2(CC1)OCCS2)C1(c2ccc(Cl)cc2)CCCC1 70637314 MKIYYNIBHLHQSV-UHFFFAOYSA-N 365.926 4.234 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3cccn3Cc3cccs3)sc2C1 71819819 GSTDUQHOELMICA-LBPRGKRZSA-N 357.504 4.432 0 40 FIAB COc1ccccc1-c1noc([C@@H](C)NC(=O)C[C@H](C)c2ccccc2)n1 72303538 GISUYFRALLGHDH-LSDHHAIUSA-N 365.433 4.116 0 40 FIAB C[C@H](c1ccccc1F)N(C(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 75094251 GWLKWGUCHCQWBE-PBHICJAKSA-N 354.425 4.064 0 40 FIAB Cc1noc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)n1 84286790 RZFBBDAKJPQSJX-UHFFFAOYSA-N 363.295 4.441 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cn1)[C@H]1CC(c2cccc(F)c2)=NO1 95954360 QUMZXYKPPUJJSK-LJQANCHMSA-N 361.376 4.019 0 40 FIAB COCCn1ccc(N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)n1 95991418 VFGUVQPPXPUVSI-IBGZPJMESA-N 357.404 4.204 0 40 FIAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)C(C)C)ccc1N1CCOCC1 96009010 AQDOJZPUGIPZDF-OAQYLSRUSA-N 366.505 4.285 0 40 FIAB CCCNC(=O)OC[C@@]12CO[C@@H]3c4ccccc4O[C@](C)(C[C@@H]1C)[C@@H]3[C@@H]2C 100568332 GXXFHMDMWMPTFR-MWQHCLGASA-N 373.493 4.324 0 40 FIAB COC(=O)Nc1cccc(OC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 103511421 XQWZQCSDKBXION-NYYJTOMGSA-N 363.841 4.348 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)N1CCCCC[C@H]1c1ncon1 184161127 NXHVVCCUFMTAJV-LBPRGKRZSA-N 374.491 4.321 0 40 FIAB CCc1nnc(S/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)O)o1 211524841 ZKAVTNZQPAALHO-OQLLNIDSSA-N 362.451 4.290 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 219535607 CTTRFVHPGODFFJ-SJLPKXTDSA-N 371.477 4.355 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1Cl 223009147 JUVVWJSKMKUPHS-UHFFFAOYSA-N 368.867 4.149 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)C)c(C)c1 223794648 GQJRMBGPVXMDHQ-SFHVURJKSA-N 355.478 4.389 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSC1CCCC1 223887043 OXLPAHUYARNPMZ-GFCCVEGCSA-N 372.328 4.008 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 224411208 IUJYYQDBQSGIJA-MRXNPFEDSA-N 353.871 4.087 0 40 FIAB COc1cc(CNC(=O)CCc2ccc(Cl)cc2)ccc1OC(C)C 225308098 WJIKGKUOHVXFQW-UHFFFAOYSA-N 361.869 4.385 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 225575096 HSTGKOZHBGTYMX-GOSISDBHSA-N 366.505 4.418 0 40 FIAB CCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)cc1C(=O)OCC 225821779 QPUQVPLLJOVDMB-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 243713784 PNTBCWGZNWFXSY-GOSISDBHSA-N 350.462 4.418 0 40 FIAB COc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408548063 CNUULQJIMIHGJX-BOPFTXTBSA-N 355.415 4.253 0 40 FIAB O=Cc1cn(Cc2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc12 408581547 IVQTUMMYFSSEFZ-UHFFFAOYSA-N 363.442 4.091 0 40 FIAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C 408610850 UQDMMWOEJKPVOI-UHFFFAOYSA-N 373.261 4.061 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408706736 CWEOFKYYAIUPDS-YRGRVCCFSA-N 369.292 4.041 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(-c2ccccc2)[nH]n1 408713326 SSIRXTWPNQKYSK-UHFFFAOYSA-N 371.462 4.010 0 40 FIAB COc1ccccc1-c1nc(C2CCN(C(=O)CCCC3CC3)CC2)no1 643240872 MMBRZIDSENXFGJ-UHFFFAOYSA-N 369.465 4.032 0 40 FIAB CCc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 1192821370 OVBGVRLJXUKGEI-UHFFFAOYSA-N 360.262 4.365 0 40 FIAB Cc1cnccc1OCC1CCN(c2cccc(C(F)(F)F)n2)CC1 1889108944 NBCBTUROGUEVBI-UHFFFAOYSA-N 351.372 4.099 0 40 FIAB O=S(=O)(Nc1cccc2ccccc12)c1ccc(Br)s1 627994 GMRBQKDHVPASFX-UHFFFAOYSA-N 368.277 4.465 0 40 FIAB CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2F)NC(=O)N1 706384 BNBYZPCRLYZZRH-GOSISDBHSA-N 360.429 4.110 0 40 FIAB COc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)cc1 855491 AKNOTVQGSQXINJ-UHFFFAOYSA-N 373.865 4.470 0 40 FIAB CCOc1cccc2cc(-c3nnc(Nc4ccccc4)s3)c(=O)oc12 856296 WFIISXGZLIXZND-UHFFFAOYSA-N 365.414 4.454 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)NC(C)(C)C)c3N2)cc1 900578 ZHOQRBXDTBEPNL-GJZGRUSLSA-N 362.424 4.083 0 40 FIAB CCCc1nc(SCC(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc2n1 1342720 IIBZZONQKRGHNI-HUUCEWRRSA-N 357.523 4.464 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 1346936 BWHGRBALVCHNBE-SFHVURJKSA-N 355.413 4.023 0 40 FIAB O=C1C[C@H](c2ccccc2C(F)(F)F)c2c(c3ccccc3oc2=O)O1 1426876 QVRXTCYPXTWOSY-GFCCVEGCSA-N 360.287 4.253 0 40 FIAB CC(C)CNC(=O)c1cccc(-c2ccccc2C(=O)NCC(C)C)c1 1705618 GNOGQUCVXQKUHG-UHFFFAOYSA-N 352.478 4.125 0 40 FIAB O=C(COc1ncnc2scc(-c3ccccc3)c12)NC1CCCCC1 2657970 IUMYXTOYVSVHSK-UHFFFAOYSA-N 367.474 4.186 0 40 FIAB O=C(Cc1ccccc1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 3403588 XZLBUJMDWLKRLV-OAHLLOKOSA-N 370.449 4.190 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCCO2 3478794 RLCRVGGGNHVIIK-QHHAFSJGSA-N 350.201 4.417 0 40 FIAB CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccc(O)cc2)C1 4039728 CYSHNJQMYORNJI-KRXUUXHPSA-N 358.478 4.461 0 40 FIAB biogenic O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1C=C[C@@H]2C12CC2 4126817 YKNXPBGMSRCWMF-DJBIQUGXSA-N 367.754 4.060 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1 4157247 ANZKRBZWULDLQR-UHFFFAOYSA-N 351.402 4.363 0 40 FIAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 4804175 CRFPCJZUYOPXIO-CQSZACIVSA-N 353.447 4.332 0 40 FIAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccc[nH]1 4927130 OEPDMECEYFEZHU-UHFFFAOYSA-N 362.410 4.331 0 40 FIAB CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@H](c2ccccc2)NC(=S)N1 4953337 VODXRTRGMDOUHD-KRWDZBQOSA-N 371.893 4.080 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)n1C1CC1 5400556 DCSWYTBPSMJHQE-UHFFFAOYSA-N 352.463 4.255 0 40 FIAB COc1ccc(C2=NNC(c3cccs3)=Nc3ccccc32)cc1OC 5484804 LHNHUJLSZLBTBI-UHFFFAOYSA-N 363.442 4.199 0 40 FIAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC)cc2)cc1 5652757 NQOIBTIFFWTKEF-CQSZACIVSA-N 361.463 4.178 0 40 FIAB CC(C)CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6317539 YNNNJJBPZVXARI-UHFFFAOYSA-N 368.477 4.200 0 40 FIAB CCOc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc23)cc1 7388587 VEHLJJORPKRKMI-UHFFFAOYSA-N 365.458 4.069 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 7735032 BKAJDSFKXLDZSX-NSHDSACASA-N 357.759 4.443 0 40 FIAB c1ccc2oc(-c3csc(Cc4nnc5n4CCCCC5)n3)cc2c1 7988137 OSTNYPJYNIYAGM-UHFFFAOYSA-N 350.447 4.465 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)Cc2c(C)nc3ccccc3c2C)o1 8193411 LURLSGKSVFJCAZ-UHFFFAOYSA-N 374.444 4.179 0 40 FIAB O=c1ccc2ccc(OCc3nc(-c4cccc(Cl)c4)no3)cc2o1 8222389 VNXYPUOTJVAQNM-UHFFFAOYSA-N 354.749 4.075 0 40 FIAB CCOc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)o2)cc1 8478675 GCCZMJSPWVJQRF-UHFFFAOYSA-N 358.785 4.433 0 40 FIAB O=C(Nc1c(-c2cccs2)nc2ncccn12)c1ccc(Cl)cc1 8766635 BAGUYTAUMKMPRA-UHFFFAOYSA-N 354.822 4.364 0 40 FIAB COc1ccc([C@H](CNC(=O)c2cc(Cl)sc2Cl)N(C)C)cc1 8777356 KZMWPYLFOJTJLI-ZDUSSCGKSA-N 373.305 4.096 0 40 FIAB CN1CCC[C@@H](CNC(=S)Nc2ccc(Nc3ccccc3)cc2)C1 9876329 NIXCRBRFYJQIAS-INIZCTEOSA-N 354.523 4.058 0 40 FIAB CCOc1cccc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)c1 10311975 LMVNFTMKXPZPFO-UHFFFAOYSA-N 366.446 4.139 0 40 FIAB CCOCc1cc(CN2CCC[C@@H]2c2cc3cccnc3[nH]2)ccc1OC 12222175 BLNNQPKJKVBZJO-HXUWFJFHSA-N 365.477 4.445 0 40 FIAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@H](c1ccc(N(C)C)cc1)O2 12296583 SDYINQAIKQUXSB-QGZVFWFLSA-N 363.413 4.182 0 40 FIAB biogenic CCOC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OCC)cc2)cs1 12442211 UXRZPDXJGATFMU-UHFFFAOYSA-N 372.450 4.271 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(F)c1 12746824 AHHBZVZLLRUYSG-UHFFFAOYSA-N 351.337 4.491 0 40 FIAB C[C@@H](SCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)C(=O)O 12779975 VVTLBXCDYVXDMO-CJNGLKHVSA-N 373.499 4.073 0 40 FIAB Cc1cc(NC(=O)CN[C@H](C)c2cccc(Cl)c2)n(-c2ccccc2)n1 12799777 FYYZHPSQKHGWRQ-OAHLLOKOSA-N 368.868 4.123 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cc(C)cc(C)c2)c1 12977733 KFXOBNYHAZASQA-HXUWFJFHSA-N 369.461 4.063 0 40 FIAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1 13027424 DSEDSFYVNVEGCJ-UHFFFAOYSA-N 367.426 4.161 0 40 FIAB CC(C)Cc1cc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)n[nH]1 13571301 VTRDRIMRMUIZAD-UHFFFAOYSA-N 358.858 4.095 0 40 FIAB O=S(=O)(c1ccccc1)n1nc(-c2ccccc2)cc1-c1ccccc1 18192876 OHFDWINGLVXPTJ-UHFFFAOYSA-N 360.438 4.454 0 40 FIAB CCc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1 19842134 SVFNFLVWUBNMBY-UHFFFAOYSA-N 373.338 4.329 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20047360 RJYZYOXMAVSZPR-IBGZPJMESA-N 366.461 4.226 0 40 FIAB C[C@H](NC(=O)Nc1ccc(Br)cc1Cl)c1ccccn1 20538797 GJJADCPWTNPZQR-VIFPVBQESA-N 354.635 4.380 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)c1sc(-c2ccccn2)nc1C 21931131 QUJGZNOYGHNASQ-UHFFFAOYSA-N 355.438 4.315 0 40 FIAB COc1ccc(CNC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22237645 VJAQWGSDUAIZEL-UHFFFAOYSA-N 367.474 4.158 0 40 FIAB CCc1nc(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)cs1 22740023 SCEOYSUVMUDQJG-UHFFFAOYSA-N 372.446 4.246 0 40 FIAB CSc1ccc(Cl)c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 25330088 LCSJMCDONZSPMZ-OAHLLOKOSA-N 354.928 4.156 0 40 FIAB CCc1cccc2c(C(=O)CN3CC=C(c4ccc(O)cc4)CC3)c[nH]c12 25680263 FKERYFNZSVPPSH-UHFFFAOYSA-N 360.457 4.408 0 40 FIAB c1ccc(-c2nn(-c3ccccc3)cc2CNCCc2ccccn2)cc1 26303647 JTGVSSQQRNKRON-UHFFFAOYSA-N 354.457 4.267 0 40 FIAB Cc1[nH]c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)cc2c1C 27603029 OUYIDAOMLZUTGI-IBGZPJMESA-N 367.518 4.413 0 40 FIAB CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 27664287 BRRVNIRPQQSYNF-FQEVSTJZSA-N 372.896 4.306 0 40 FIAB CCOc1cc(C(=O)Nc2ccccc2O)ccc1OCc1ccncc1 31894015 RWWMEWYTZBDCAC-UHFFFAOYSA-N 364.401 4.017 0 40 FIAB CCN(Cn1nc2cc(C)c3ccccc3n2c1=S)CC(F)(F)F 32913330 YZRODNBOWMALGD-UHFFFAOYSA-N 354.401 4.169 0 40 FIAB OCc1c(-c2ccc(Br)cc2)nc2ccc(C(F)(F)F)cn12 36322267 IJHXPBCONOETJB-UHFFFAOYSA-N 371.156 4.275 0 40 FIAB in-vitro CC[C@H]1CCCCN1C(=O)c1cc(C)nc2c1cnn2-c1ccccc1F 36616681 OIKPUASWOHHELT-HNNXBMFYSA-N 366.440 4.273 0 40 FIAB Cc1cccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 39772573 ZBXNQKZSYPVKBD-UHFFFAOYSA-N 364.533 4.264 0 40 FIAB CCc1ccc(CCC(=O)N2CCC(OCc3ccccc3)CC2)cc1 40017869 UXTCGKUHCPQKEB-UHFFFAOYSA-N 351.490 4.389 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(F)cc1 40131654 VIVOXPFYLGSUGV-OAQYLSRUSA-N 351.425 4.067 0 40 FIAB O=C(O)c1cn(-c2ccc(F)cc2)c2c1N=C(O)C[C@H]2c1cccs1 40283799 QIIKOVZPEKLSFI-LBPRGKRZSA-N 356.378 4.500 0 40 FIAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 42645609 IFVBOKLYSPHTPZ-CYBMUJFWSA-N 360.841 4.321 0 40 FIAB COc1ccc(NC(=O)NC[C@H](C)c2ccccc2)cc1OC(F)F 43995166 GIQXZZAFTVPFJG-LBPRGKRZSA-N 350.365 4.222 0 40 FIAB COc1ccc2cc(CNCc3ccc(Cn4cccn4)cc3)ccc2c1 48301130 MXCMYYGSUVKCRR-UHFFFAOYSA-N 357.457 4.383 0 40 FIAB Cc1nc2ccc(C(=O)NCc3ccc(COC(C)C)cc3)cc2nc1C 49133753 UVYBBWZUBMCUFX-UHFFFAOYSA-N 363.461 4.102 0 40 FIAB CCN(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 51356083 AMPYKJGWESQJTE-UHFFFAOYSA-N 352.217 4.203 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)c1ccc(Cl)s1 58010719 DIYYEUWUXRGHME-LLVKDONJSA-N 365.886 4.294 0 40 FIAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58029836 HCJLBBCPFYHITO-OXQOHEQNSA-N 355.434 4.392 0 40 FIAB O=C(Nc1ccc2ccccc2n1)c1ccc(OCc2cccnc2)cc1 58139939 LRFXNGCZBZWKAB-UHFFFAOYSA-N 355.397 4.461 0 40 FIAB CCc1cccc(N2CCC(NC(=O)c3c(C)noc3C(C)C)CC2)c1 61560525 SMWAAPOPFHBZDW-UHFFFAOYSA-N 355.482 4.068 0 40 FIAB COc1ccc(CCCNC(=O)CCSc2ccc(C)cc2)cc1OC 65086557 DFIZAQYEAGKWCZ-UHFFFAOYSA-N 373.518 4.243 0 40 FIAB CCc1ccc([C@H](C)NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 65530439 IWZSZLXZBLTXFX-LBPRGKRZSA-N 372.519 4.109 0 40 FIAB C[C@@H](NC(=O)N(C)[C@H](C)c1cccs1)c1ccc(N2CCOC2=O)cc1 65991853 LOYJEAFDROZMDU-ZIAGYGMSSA-N 373.478 4.168 0 40 FIAB O=C(NC1CCN(CC(F)(F)F)CC1)c1ccccc1-c1ccccc1 84562776 IBOBCSAXSSIKIG-UHFFFAOYSA-N 362.395 4.110 0 40 FIAB COc1ccc(C(=O)N(C[C@@H](O)c2ccccc2)CC(C)(C)C)c(F)c1 95451255 NLTMPIUXKZVFFN-LJQANCHMSA-N 359.441 4.056 0 40 FIAB CC1(C)CN(CC(F)(F)F)CCN1c1nc(C(F)F)nc2ccccc12 95460577 XPJHIKKGDKXKRK-UHFFFAOYSA-N 374.357 4.030 0 40 FIAB CCN(CC)CCCC1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 96008210 FDAMLATZUZQPPF-UHFFFAOYSA-N 359.489 4.281 0 40 FIAB C/C(=C\C(=O)OCc1nc(-c2ccccc2C)no1)c1ccccc1F 98055341 UBIHHNCEIBHJPU-SDNWHVSQSA-N 352.365 4.331 0 40 FIAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc1 206670213 ALBPVBCPVNJEQE-GOSISDBHSA-N 354.425 4.194 0 40 FIAB COc1ccc([C@@H]2CCCCN(C(=O)c3ccc(OC(C)=O)cc3)C2)cc1 206884212 XBXHAHCQHMRKAE-LJQANCHMSA-N 367.445 4.030 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSc1ccc(C)cc1 216429904 VZRQIHDTZHAEEY-LJQANCHMSA-N 359.491 4.070 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1-n1ccnc1 216484019 UPYABVKXVJKKSM-UHFFFAOYSA-N 371.893 4.324 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219306504 BCICXZVYQWHEAX-HNAYVOBHSA-N 369.461 4.190 0 40 FIAB O=C(CSCc1ccccc1F)NCCCN1CCCc2ccccc21 222714163 WTNGNCFYQVSFPW-UHFFFAOYSA-N 372.509 4.018 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)s1 223843520 DTFVMCNBOKDTNU-ZWKOTPCHSA-N 367.499 4.334 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOCc1ccccc1 224460411 YTEBTTODNYPNEI-JOCHJYFZSA-N 363.457 4.330 0 40 FIAB CC(C)(CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)C1OCCO1 224979460 WUVXZPQHZLPJHE-UHFFFAOYSA-N 367.489 4.192 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@@H]2CCCc3ccccc32)c1C 225460135 MEGPNRYEPKLBEH-GOSISDBHSA-N 354.475 4.146 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccc(F)cc2)c2cccnc12 225548799 WLNQOJDWYJUHDJ-UHFFFAOYSA-N 369.465 4.302 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(SC(C)C)s2)cc1 225620588 KKEAHAXAIZMKFO-CQSZACIVSA-N 365.524 4.397 0 40 FIAB c1csc(-c2noc(-c3cncnc3N[C@H]3CCc4ccccc43)n2)c1 244975161 IEKVUDBWZNLKRP-HNNXBMFYSA-N 361.430 4.355 0 40 FIAB O=C(Nc1ccccc1Cl)c1cnc(OC2CCOCC2)c(Cl)c1 253473192 SNKNJEBBLWFQEK-UHFFFAOYSA-N 367.232 4.199 0 40 FIAB Cc1cnc([C@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)s1 371022129 IUSQJUFBBRETSW-INIZCTEOSA-N 353.491 4.272 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccccc1C 408705712 LUOBYSMWVUFPAY-FQEVSTJZSA-N 373.518 4.211 0 40 FIAB CC(C)(C(=O)N1CCCc2occc2C1)c1cccc(Br)c1 579881619 WNMAAJSHHCSVSI-UHFFFAOYSA-N 362.267 4.295 0 40 FIAB Cc1ccccc1-c1cc(NC(=O)c2cccc(-c3cnco3)c2)n(C)n1 1188940435 MJPKMZMREGAUPI-UHFFFAOYSA-N 358.401 4.303 0 40 FIAB C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2C1 944103 QZGYOSUZJHMTFP-LBPRGKRZSA-N 359.422 4.498 0 40 FIAB CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCC(Cc2ccccc2)CC1 1325090 PCSBZJUCMCGNBW-IBGZPJMESA-N 355.530 4.080 0 40 FIAB CCOC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 1377252 MDIOSLSDXJBKND-JTQLQIEISA-N 362.520 4.349 0 40 FIAB COc1cc2c(cc1OC)CC(=O)N(Cc1c(F)cccc1Cl)C=C2 1399809 PINMSMYTSOKQTE-UHFFFAOYSA-N 361.800 4.052 0 40 FIAB Cc1ccc(-c2nnc3n2N=C(c2ccc(OC(F)F)cc2)CS3)cc1 1432470 XUTKRCALAOILGI-UHFFFAOYSA-N 372.400 4.213 0 40 FIAB COc1ccc(OC)c(C(=O)c2oc3ccc(Cl)cc3c2NC(C)=O)c1 1442051 KQKGRTKMAHLLEL-UHFFFAOYSA-N 373.792 4.293 0 40 FIAB CCCCn1c([C@H](C)NC(=O)COc2ccccc2)nc2ccccc21 2721312 ZOIXPTKVFBDRRU-INIZCTEOSA-N 351.450 4.093 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 4171439 GCDWWUOFZOLHJV-HXUWFJFHSA-N 363.461 4.385 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2Cl)o1 4189393 IFUNDWDJVVSDFG-RYUDHWBXSA-N 365.886 4.272 0 40 FIAB CCOc1ccccc1NC(=O)c1nnn(-c2cccc(Cl)c2C)c1C 4315732 ASACBPDLCMOJEQ-UHFFFAOYSA-N 370.840 4.189 0 40 FIAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816471 RJWWCZDCDGLHLM-PMACEKPBSA-N 358.445 4.064 0 40 FIAB CCN(C(=O)c1cccn(Cc2ccccc2F)c1=O)c1cccc(C)c1 5270498 JYBONHAPZXVIQL-UHFFFAOYSA-N 364.420 4.011 0 40 FIAB O=c1c2c(nc3n1CCCS3)c1ccccc1n2Cc1ccc(F)cc1 5483847 UTXJWCHULLWFOM-UHFFFAOYSA-N 365.433 4.034 0 40 FIAB Cc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(Cl)c2)cc1C 6421442 SBQNJFVJVNRBGC-UHFFFAOYSA-N 372.881 4.130 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)Cc2ccsc2)c1 6602446 QCGPZNXNUQHLHI-UHFFFAOYSA-N 366.442 4.190 0 40 FIAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C1=O 6657354 PRUCWIUMEINZRF-LFIBNONCSA-N 371.414 4.180 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(Cl)cc2)c1C 6747718 ZVNUBAKBWRCSNT-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cnc(Cl)c(Cl)c1 6790234 CZNMXKFZCHBDFA-UHFFFAOYSA-N 365.245 4.083 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1O 6959986 OONIHJSLTCSSTM-GZTJUZNOSA-N 355.415 4.027 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 7425416 AKXGBJIVVVJTMQ-UHFFFAOYSA-N 365.477 4.101 0 40 FIAB Cc1c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)oc2ccccc12 7706243 VLOAWTHUZIIIAT-OAHLLOKOSA-N 360.417 4.155 0 40 FIAB CCOc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)Nc3ncnn32)cc1OC 7785794 PIGPTHGHFJNPTL-MSOLQXFVSA-N 364.449 4.140 0 40 FIAB COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CCSc3ccccc32)cc1 8328998 LVPYIAZWVJZZBR-RDTXWAMCSA-N 356.491 4.239 0 40 FIAB O=C(NC1CCCCC1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 8476499 DIGMXHKPONPZMR-UHFFFAOYSA-N 364.424 4.136 0 40 FIAB CCCn1c(NC(=O)c2ccc(NC(=O)C3CC3)s2)nc2ccccc21 8746339 DTIVZMYGHGNEOB-UHFFFAOYSA-N 368.462 4.109 0 40 FIAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2nccs2)n1 8776263 DODKWWUOFQRFRV-UHFFFAOYSA-N 356.476 4.095 0 40 FIAB O=C1C[C@@H](c2cccc3ccccc23)c2c(nc(-c3ccccc3)[nH]c2=O)N1 8927466 ANBLLHDYTCHWKS-SFHVURJKSA-N 367.408 4.064 0 40 FIAB CCc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCC3)coc2c1 10022748 UDYFAKYFIRLMAQ-IBGZPJMESA-N 366.461 4.084 0 40 FIAB Cc1cc(C)n(-c2ccc(SCc3cc(-c4ccccc4)on3)nn2)n1 11141593 KEFFNYQOJSMLKL-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 11211916 XKELWARUHNJMIY-KRWDZBQOSA-N 360.251 4.339 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12591048 OMZWYPCXCUONNB-LJQANCHMSA-N 365.477 4.103 0 40 FIAB CN(C(=O)COc1cc(Cl)ccc1Cl)c1nc2ccccc2o1 12775536 XRISAOBQTCDNRF-UHFFFAOYSA-N 351.189 4.176 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12784278 FQDSFIRLZCERKC-DNXKIMQPSA-N 369.848 4.488 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(F)cc3)cs2)cc1 12870302 MEXLZLXVJDSMOR-LBPRGKRZSA-N 356.422 4.449 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12915976 GQOQDWJVSCVVFH-UHFFFAOYSA-N 372.852 4.028 0 40 FIAB Cc1csc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)cc(=O)n12 13041611 SYRHEXYQCRPAGV-UHFFFAOYSA-N 368.289 4.003 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(=O)O)ccc1Cl 13167538 SLZLQZHRMQXLGT-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 14495076 DBGMKOWJXGYBFX-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB CCc1c(O)nc(SCc2ccc(Cl)cc2)n(-c2ccccc2)c1=O 16161155 HAECEPKJDUYOOA-UHFFFAOYSA-N 372.877 4.446 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)cc1 19135236 CMRPHNIEELQCLP-INIZCTEOSA-N 367.474 4.435 0 40 FIAB c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCc3ccccc3C2)cc1 19369606 KVYFDZZDTHTMTP-JOCHJYFZSA-N 373.504 4.326 0 40 FIAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)CC(C)(C)C)n1 19558371 RYHHFHBHMUHLPP-MRXNPFEDSA-N 356.470 4.157 0 40 FIAB CCCCC1CCC(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 19902289 NJBSGJJQGAIVPW-UHFFFAOYSA-N 364.574 4.134 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 20048465 JSJYVFWTUHBAJX-OAQYLSRUSA-N 367.470 4.072 0 40 FIAB CC(C)CNC(=O)[C@@H](C)Sc1nc2c(n1-c1ccccc1)CCCC2 23280155 NRKXNHMZGKWRMY-OAHLLOKOSA-N 357.523 4.004 0 40 FIAB O=C(c1ccco1)N1CCN(Cc2ccccc2Oc2ccccc2)CC1 24061343 ANRYBPWEQOESSF-UHFFFAOYSA-N 362.429 4.030 0 40 FIAB C[C@H]1CCCN(C(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C1 24353334 FUAMNEAJXXRTKY-INIZCTEOSA-N 365.502 4.499 0 40 FIAB c1cncc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C2CC2)c1 24988792 FZXHMGQLXSTPHW-UHFFFAOYSA-N 365.418 4.215 0 40 FIAB Cc1ccccc1-n1ccnc1SCc1cc(F)cc2c1OCOC2 25742402 HSPTWDOAIVUFLM-UHFFFAOYSA-N 356.422 4.479 0 40 FIAB CCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 28579266 PNVXBCPCEUHPAF-UHFFFAOYSA-N 367.470 4.481 0 40 FIAB O=C1O/C(=C(/Cc2ccccc2)c2ccccc2)N(c2ccccc2)C1=O 31659352 DRMFAOMMSBWWSC-XDOYNYLZSA-N 355.393 4.188 0 40 FIAB O=C(NCCCN1CCc2ccccc2C1)Nc1cccc2ccccc12 31662734 BKURMTVENDRMJY-UHFFFAOYSA-N 359.473 4.410 0 40 FIAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1cccc(Cl)c1 32103831 MGFLAIOGKXJBKY-UHFFFAOYSA-N 363.804 4.473 0 40 FIAB COc1ccc([C@@H]2CCCN2S(=O)(=O)C2=Cc3ccccc3CC2)cc1 32679696 QJDULJIESWDQSE-NRFANRHFSA-N 369.486 4.149 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@H](c1ccccc1)N1CCCC1 32721267 VSBPTBRFPGYMSA-HSZRJFAPSA-N 358.485 4.336 0 40 FIAB COc1ccc(C)cc1NC(=O)CN1CCC[C@H]1c1ccc(Cl)cc1 32777599 NFBJHPZPRXSFNC-SFHVURJKSA-N 358.869 4.433 0 40 FIAB CC(C)COc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1Cl 32809478 GFIUADRLGIANTM-UHFFFAOYSA-N 363.870 4.265 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 35289625 GTGBQPGIONZRLG-IBGZPJMESA-N 351.450 4.247 0 40 FIAB CSCC[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(C)cc2)no1 35291177 XLEFCHCFVJPSSX-QGZVFWFLSA-N 367.474 4.269 0 40 FIAB O=C(NCc1nc2ccccc2s1)c1ccc(OC(F)(F)F)cc1 36063487 AHHRYQOTQIQNCO-UHFFFAOYSA-N 352.337 4.125 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39772009 VSWUXNFZORVYRY-SFHVURJKSA-N 368.496 4.175 0 40 FIAB O=C(NCc1ccccc1Cn1ccnc1)c1cc2c(s1)CCCCC2 40023563 KKACFIKISBNTRV-UHFFFAOYSA-N 365.502 4.192 0 40 FIAB CC(C)N1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1ccc(F)cc1 40156429 NYDSUSNSECKAFH-IBGZPJMESA-N 350.397 4.191 0 40 FIAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc2c(s1)CCCCC2 46223054 ABISTTLJXOWXPV-UHFFFAOYSA-N 356.447 4.226 0 40 FIAB C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NCc1ccccc1 58174036 NZADUMRQSRJVPJ-QGZVFWFLSA-N 364.489 4.169 0 40 FIAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccccc1F 67295431 APNWMDMSEKRNEV-FLFQWRMESA-N 362.360 4.327 0 40 FIAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)c(Br)c1 71761485 BHYBJLVDIZNLQF-UHFFFAOYSA-N 369.215 4.126 0 40 FIAB Cc1ccc2nc(C3CN(C(=O)C4(c5cccs5)CCCC4)C3)[nH]c2c1 75156457 CBYVHOCDQMKXAE-UHFFFAOYSA-N 365.502 4.371 0 40 FIAB C[C@H](NC(=O)CN(C)c1nc2c(Cl)cccc2s1)c1ccccc1 75162153 KNSFPEYQCUGTIR-LBPRGKRZSA-N 359.882 4.263 0 40 FIAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCOc2ccccc21 78472621 AUYMHCXFAYMCPX-OAHLLOKOSA-N 354.406 4.454 0 40 FIAB Cc1cc2sc(NC(=O)c3ccc(N4CCCCC4=O)cc3)nc2s1 84129191 MTXMIUMLKWIACT-UHFFFAOYSA-N 371.487 4.435 0 40 FIAB Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)(F)F)N2C(=O)c1cc(F)cc(F)c1 84129335 POFGFCQWPMEQKS-RNCFNFMXSA-N 359.298 4.012 0 40 FIAB C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)c1cnc2n1CCCC2 89941488 ATLKBRLSUQLDSL-NSHDSACASA-N 364.276 4.286 0 40 FIAB CO[C@@H](C)c1cccc(NC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 95402773 GTCXZNIJGBHSSQ-UWJYYQICSA-N 352.478 4.387 0 40 FIAB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2C)cc1OC(F)F 114667321 NIMPPLTWOZRNGG-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 218973364 UWENVTFBWPLSFS-APWZRJJASA-N 353.462 4.489 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)c1ccccc1 219051725 MSVUDZHAUYFMRR-SFHVURJKSA-N 362.473 4.250 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1C 219288532 YOBNOQCUNODUIG-GOSISDBHSA-N 355.478 4.300 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 219302197 LFRQAJFWIZGIAY-PKOBYXMFSA-N 355.478 4.271 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1cccc(C)c1)c1ccc2c(c1)CCCC2 223076366 DRXRFOGZQDBKHA-NRFANRHFSA-N 357.519 4.445 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)NCCOc2cc(C)cc(C)c2)cc1 224107651 RYFWRNKRABBUJD-OAQYLSRUSA-N 355.478 4.218 0 40 FIAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccc(Br)cc1 224184983 FEIJKSJNHJYDPA-CYBMUJFWSA-N 362.333 4.085 0 40 FIAB COc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1Br 226349689 WRKJWLYFJACQSI-UHFFFAOYSA-N 369.646 4.254 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccncn2)cc1 257321426 WBQQBCJYBKGZTA-OAQYLSRUSA-N 359.429 4.179 0 40 FIAB CCOc1ccccc1/C=C1\SC(=O)N(c2ccccc2OC)C1=O 409055729 ASDGIGADNNHJHS-ATVHPVEESA-N 355.415 4.335 0 40 FIAB CC(C)C(=O)c1ccc(NC(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)cc1 580067156 PLPYNVARKQIXRN-HXUWFJFHSA-N 370.493 4.338 0 40 FIAB O[C@@H]1[C@@H](NCc2cccc(Cl)c2)CCC[C@H]1Oc1cccc(Cl)c1 585288785 JBPCUFIORPAVLP-IPMKNSEASA-N 366.288 4.444 0 40 FIAB OCC1CCN(c2ccc(Cl)cc2NCc2cc(C3CC3)no2)CC1 656648337 APWRSMNQGCGNMX-UHFFFAOYSA-N 361.873 4.026 0 40 FIAB Cc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)n1 1615156104 JZUJGQFUVLJVMQ-UZLBHIALSA-N 367.468 4.049 0 40 FIAB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3)=NN12 934754 ATPKFVDPYUCYCX-IBGZPJMESA-N 367.880 4.305 0 40 FIAB N#CC(C#N)=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1320738 MASGCDRAQOWKIT-UHFFFAOYSA-N 354.196 4.341 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)ccc1O 2069809 KJHSMIBBXAKGNF-AWEZNQCLSA-N 355.434 4.120 0 40 FIAB CCCCN(CCCC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2466907 DXXOXNHYAFRVAK-UHFFFAOYSA-N 371.506 4.260 0 40 FIAB Cc1cc(C)nc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)n1 2571238 QOWWUBSMGVZVEZ-UHFFFAOYSA-N 360.776 4.102 0 40 FIAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc3ccccc23)C1=O 2622781 KEMKQPWCHNRFPX-JOCHJYFZSA-N 362.404 4.336 0 40 FIAB Nc1c(Cl)cc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 2654188 SYWDHUMQMNXKNH-UHFFFAOYSA-N 351.642 4.030 0 40 FIAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4Cl)sc3nc12 2722966 CHIJMVSMKVXQIL-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB COC(=O)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 3264309 CCDFVLPOZXZTMS-UHFFFAOYSA-N 361.397 4.196 0 40 FIAB O=C(COc1ccc(Cl)cc1)OCCCC(=O)c1ccc(F)cc1 3277561 GIKDUYCYGKZLIM-UHFFFAOYSA-N 350.773 4.064 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 3620215 WMMRWGQWUIWJNY-LLVKDONJSA-N 352.217 4.028 0 40 FIAB COc1cc([C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc(OC)c1OC 4458700 UNJQBUWKUUXNGG-NRFANRHFSA-N 365.433 4.165 0 40 FIAB Cc1cccc(Oc2ccc3[nH]c(C(=O)NC[C@H]4CCCO4)cc3c2)c1 4702635 JEZYLTRENSJEBK-GOSISDBHSA-N 350.418 4.177 0 40 FIAB O=C(Nc1ccc2c(c1)N[C@@H](Cc1ccc(Cl)cc1)O2)c1cccnc1 4736822 RVUYEPWHKATCGE-LJQANCHMSA-N 365.820 4.360 0 40 FIAB CC[C@@H](C)OC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 4832465 ATVQCPSTHQBYQA-CBEUFCESSA-N 352.430 4.226 0 40 FIAB CC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2)c1ccccc1 5476842 GCHOCMSEFSOWOD-GXTWGEPZSA-N 356.491 4.104 0 40 FIAB CC[C@@]1(C)C[C@](CCNS(=O)(=O)c2ccc(C)cc2)(C(C)C)CCO1 5478105 DXAOAYWMNMKZIG-VQTJNVASSA-N 367.555 4.285 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)c1cc2ccccc2oc1=O 5738588 GEGRODWSOLVSRX-UHFFFAOYSA-N 363.394 4.274 0 40 FIAB CS(=O)(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1 5880693 FZQWUYCYAVAIED-UHFFFAOYSA-N 368.454 4.248 0 40 FIAB COc1cc2sc(NC(=O)C(Cl)(Cl)Cl)nc2cc1Cl 6441321 IBWVWDALNWIZPJ-UHFFFAOYSA-N 360.049 4.267 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](O)c1ccccc1 6852985 VWZCNLAZEHKBHE-MEBBXXQBSA-N 355.290 4.402 0 40 FIAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1 6937516 ICAGTMMIQVQMAE-CYBMUJFWSA-N 372.490 4.344 0 40 FIAB N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 6970363 YNGXYPPRUKFASD-VBKFSLOCSA-N 359.341 4.148 0 40 FIAB CC(C)[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cccs1 7120162 KBXRDMKXGVXAHH-DOTOQJQBSA-N 360.504 4.065 0 40 FIAB COc1ccc(Br)cc1CSc1nnc(-c2ccco2)o1 7328415 QFSNRHHVPBHYRD-UHFFFAOYSA-N 367.224 4.393 0 40 FIAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(-c2ccccc2)cc1 7552553 PWSKYDAFYQIAJC-FQEVSTJZSA-N 362.429 4.029 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)cs1 7989781 OTKUDORLWHLTOP-UHFFFAOYSA-N 352.415 4.142 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1F 8041814 HLKHLXHNVKUSIV-RDTXWAMCSA-N 372.440 4.150 0 40 FIAB CCOc1ccc([C@@H]2CCCN2Cn2nc3n(c2=S)CCCCC3)cc1 8189694 LQXUHQAULACDDO-SFHVURJKSA-N 372.538 4.334 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CNc1ncnc2sc3c(c12)CCC3 8203828 OVZRJZHMOVOJCV-UHFFFAOYSA-N 372.881 4.192 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 8425349 PGTMXMNUJHSUPC-JXMROGBWSA-N 369.827 4.337 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(COc2ccc(F)cc2)o1 8767761 WFWUTEGDIFJRSH-UHFFFAOYSA-N 369.348 4.021 0 40 FIAB CCOc1ccc(Nc2nc(C(=O)NCc3cccs3)cs2)cc1 9208795 MMUDKZSHSDSSDH-UHFFFAOYSA-N 359.476 4.277 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Nc1ccc(Cl)cc1 9390161 SRGYDPYZRXFHMV-ZDUSSCGKSA-N 355.829 4.146 0 40 FIAB CCOc1ccccc1CCCNC(=O)c1ccc(Br)cc1 10110850 QMMBGTMUZJQXIK-UHFFFAOYSA-N 362.267 4.210 0 40 FIAB CN(CCCc1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl 10897744 IVYXJDORNALXDG-UHFFFAOYSA-N 351.277 4.497 0 40 FIAB Cc1ccccc1Cn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 12539287 CKJPIMVTLZHUSY-UHFFFAOYSA-N 359.429 4.258 0 40 FIAB CC[C@H](Sc1nnc(-c2ccoc2C)n1C)C(=O)Nc1ccc(F)cc1 12622144 IJATXKNQOWDGNS-HNNXBMFYSA-N 374.441 4.032 0 40 FIAB O=C(CNc1ccccc1F)NCc1ccc(-c2ccc(Cl)cc2)o1 12622395 JCLZCPUSFWHTLS-UHFFFAOYSA-N 358.800 4.467 0 40 FIAB OC[C@@H](CNc1ncnc2sc(-c3ccccc3)cc12)Cc1ccco1 12794663 NLFUTDJBRLKGSZ-CQSZACIVSA-N 365.458 4.214 0 40 FIAB Cn1ncc2c(N[C@H](c3ccccc3)c3cc4ccccc4o3)ncnc21 12889283 WMUWKPVTSLZSDA-LJQANCHMSA-N 355.401 4.311 0 40 FIAB O=C(NCC1CCCCC1)c1cnn(-c2ccccc2F)c1C(F)(F)F 12908394 OMKWPYTXVDJVRL-UHFFFAOYSA-N 369.362 4.340 0 40 FIAB CN1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 13946200 QPHHUFVCLOPKCM-UHFFFAOYSA-N 369.852 4.090 0 40 FIAB CC(C)n1c(CN(CCCN(C)C)Cc2ccco2)nc2ccccc21 13992889 XIIUEXFIWBTRLY-UHFFFAOYSA-N 354.498 4.164 0 40 FIAB CCC(=O)Nc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 14405041 RBKBCKPDSZQETA-UHFFFAOYSA-N 362.433 4.090 0 40 FIAB Cc1ccc(CNC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)cc1 15670028 MUWYMAXMOKTGTQ-UHFFFAOYSA-N 369.852 4.338 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(F)c2)o1 15881383 BBVMPYCEQVFWTR-UHFFFAOYSA-N 364.380 4.032 0 40 FIAB Cc1ccc(-n2ncc3c(N4CCc5ccccc54)ncnc32)cc1Cl 17120870 BXGWXADKUDMYMV-UHFFFAOYSA-N 361.836 4.472 0 40 FIAB CNc1nc(C)c(C(=O)N[C@H](c2ccncc2)c2ccc(C)c(C)c2)s1 19213589 QEVAHAYNVQVUEE-QGZVFWFLSA-N 366.490 4.024 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(F)cc1 20106137 UYWRFHGIMYCTRB-IBGZPJMESA-N 372.440 4.152 0 40 FIAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(Br)c1 20137973 FEPFUGNSMDVPDR-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccco1 20723107 YHUVNMRDRYFXRY-UHFFFAOYSA-N 361.353 4.314 0 40 FIAB CCc1ccc([C@H](CNC(=O)CCC(=O)c2ccc(C)s2)N(C)C)cc1 22684007 IQWRGFXGXFBPAX-SFHVURJKSA-N 372.534 4.001 0 40 FIAB CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC(C)CC3)c(O)n2n1 22853331 VUKTUTGNUMRULO-KRWDZBQOSA-N 370.522 4.189 0 40 FIAB COC(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 23055378 BUPJYHUZAOAFNV-CYBMUJFWSA-N 362.429 4.332 0 40 FIAB O=C(CCc1ccccc1)N1CCN(Cc2csc3ccccc23)CC1 23818767 IGUSZPKPNSAVEJ-UHFFFAOYSA-N 364.514 4.178 0 40 FIAB CCn1cnn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 23855808 HQSUANWHJNDQNC-HNNXBMFYSA-N 362.549 4.162 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1CCCN(C(=O)c2ccco2)C1 25462947 VPTRJQCDZPPCBG-KRWDZBQOSA-N 374.440 4.022 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1 27988961 UQWIXRSSAMNOAC-GFCCVEGCSA-N 357.410 4.059 0 40 FIAB Cc1ccccc1[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 28189915 DPNZTMSHACWHMP-PKOBYXMFSA-N 366.490 4.042 0 40 FIAB CCN(C(=O)c1ccc(-c2nc(C)no2)cc1)c1nc2ccccc2s1 32905864 MLVZORJRRBZWKS-UHFFFAOYSA-N 364.430 4.321 0 40 FIAB CCCCC1CCC(C(=O)N(C)CC(=O)Nc2cccc(OC)c2)CC1 32964267 XOKOWBREQOJTPX-UHFFFAOYSA-N 360.498 4.089 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccc(C(F)(F)F)c1 33024235 FGWBOEUZSTWBSI-MRXNPFEDSA-N 366.383 4.255 0 40 FIAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccccc3)[nH]c2c1C 33063653 JDOSILLGPXYEFV-UHFFFAOYSA-N 352.459 4.017 0 40 FIAB CCOc1cc(Br)c(C(=S)N2CCCCC2)cc1OC 33881426 YHCYYKHZPJULKY-UHFFFAOYSA-N 358.301 4.018 0 40 FIAB CCOc1ccccc1OCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 40056985 NJWXAAPYOIWGFB-OAHLLOKOSA-N 353.418 4.430 0 40 FIAB O=C(NCc1nc(-c2ccccc2Cl)no1)Nc1cccc(Cl)c1 41153956 VPVJMEGRXZRDIU-UHFFFAOYSA-N 363.204 4.365 0 40 FIAB O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 43210865 PXIVFWQKYOMVSM-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB CN(C)[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)c1ccsc1 48235292 YXODWGDGJZNPQL-MRXNPFEDSA-N 372.519 4.296 0 40 FIAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C[C@H](C)c2ccccc2)c1 48345084 GEDQQKQTTUBOPF-DLBZAZTESA-N 352.478 4.025 0 40 FIAB COc1ccc(-c2noc(-c3c[nH]nc3-c3ccc(Cl)cc3)n2)cc1 49002308 NCHMSEJTZZXMDU-UHFFFAOYSA-N 352.781 4.456 0 40 FIAB Cc1nn(C)c2c1[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)SCC(O)=N2 49549496 KQZINRRUDXDMPU-INIZCTEOSA-N 373.869 4.196 0 40 FIAB Cc1c(F)cccc1NC(=O)Nc1ccc(I)cc1 51354536 SYUBGHKZGDQCDI-UHFFFAOYSA-N 370.165 4.383 0 40 FIAB CCc1cc2c(=O)n(Cc3cccc(OCC(F)(F)F)c3)cnc2s1 57495631 OUIONAUVUDSENG-UHFFFAOYSA-N 368.380 4.010 0 40 FIAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(O)cc1 62714778 ZVPHWRFZSUOZJF-XCVCLJGOSA-N 362.223 4.205 0 40 FIAB O=C(C[C@H]1OC(=O)c2ccccc21)N[C@H](c1cccs1)C1CCCC1 65474877 ORASRYNIYYMWMT-APWZRJJASA-N 355.459 4.397 0 40 FIAB COc1ccc(C2(NC(=O)Nc3ccc4c(c3)OCO4)CCCC2)cc1 65522048 OXGVTPGJGZTCIO-UHFFFAOYSA-N 354.406 4.015 0 40 FIAB COc1ccc(N(C)C(=O)c2c(-n3cccc3)sc3c2CCCC3)cn1 65741122 JTFRBZFNWCIEPV-UHFFFAOYSA-N 367.474 4.098 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc(Cl)c1 66803646 RXMLEWIXXWEEII-UHFFFAOYSA-N 352.825 4.187 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCn2ccc3c(Cl)cccc32)cc1 71280676 OQYPJSHQGSMGTO-UHFFFAOYSA-N 355.825 4.282 0 40 FIAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)Nc1ccc2c(c1)CCC2 71832935 QYZFHHUPKNXYAS-AWEZNQCLSA-N 371.431 4.102 0 40 FIAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C=O)C1CCC1 72215534 RTABBANJTSRUAX-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccccc2)n1 72378860 WLEVMWABLHIWCT-IBGZPJMESA-N 360.461 4.368 0 40 FIAB CCOc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl 72414302 YBWQIYQJTSTVOX-UHFFFAOYSA-N 362.838 4.088 0 40 FIAB Cc1cc([C@H](O)CCNC(=O)Nc2ccccc2C(F)(F)F)c(C)o1 85562117 AKCCFQPACMQDGB-OAHLLOKOSA-N 356.344 4.160 0 40 FIAB Cc1cc(F)ccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 95957173 BYXWTNLXEGNSII-SNVBAGLBSA-N 362.455 4.316 0 40 FIAB O=C(OC1[C@H]2CC[C@H]1[C@@H]1CN(CCc3ccccc3)C[C@@H]21)c1ccccc1 100572205 MWVAYBRVMWOVBX-CMOCDZPBSA-N 361.485 4.043 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@H](C(C)=C[C@@H]1C)[C@H]2C 100743091 UFMOTNAISQKEDK-NTZWLTRZSA-N 357.494 4.222 0 40 FIAB O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 106756585 AWKYSKMROCSMLT-GUDVDZBRSA-N 374.843 4.118 0 40 FIAB COc1ccc(Cl)cc1C(=O)NC[C@@H](OC)c1ccccc1Cl 206850915 FGRFUJAQYXXKOK-MRXNPFEDSA-N 354.233 4.120 0 40 FIAB CSc1ncccc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219522588 BEGAMXNHVIODQJ-CQSZACIVSA-N 350.534 4.185 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccc(Cl)cc2)c2ccccc12 222605110 NAEBWEUNBZTIQZ-LBPRGKRZSA-N 357.793 4.189 0 40 FIAB COc1ccccc1N1CCN(C(=O)CCc2cccc3ccccc23)CC1 222660201 UARYNUBSWUAPRP-UHFFFAOYSA-N 374.484 4.130 0 40 FIAB CC1(C)C[C@@H](NC(=O)CSCc2ccccc2F)c2ccccc2O1 222708827 AIRVKPUQMOAROT-QGZVFWFLSA-N 359.466 4.478 0 40 FIAB C[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)CCC2 223201450 DQUCPUYRCSDOFL-LBPRGKRZSA-N 367.873 4.148 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1 224333578 VVTZWFAMYQXDDB-KRWDZBQOSA-N 354.469 4.030 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225107892 UIXOZPNOBRVVNJ-QGZVFWFLSA-N 370.474 4.187 0 40 FIAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)OCCO2 225349547 ZURQGWPVJMOTKW-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2cccc(Cl)c2oc1=O 226039694 VVSRJWHWXOAJNH-UHFFFAOYSA-N 352.148 4.491 0 40 FIAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCC[C@H]1C 245228145 GOBNLEVBNFDLID-UHIISALHSA-N 358.265 4.234 0 40 FIAB O=C(Oc1ccc(-c2ccccc2)nn1)c1cccc(Br)c1 408528802 LBFBFDWFPRTLNN-UHFFFAOYSA-N 355.191 4.125 0 40 FIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O 409018455 HLCWGFRETDPBPB-YXHQGMJNSA-N 355.463 4.324 0 40 FIAB O=C(N1CC[C@@]2(CCCOC2)C1)C1(Cc2ccc(C(F)(F)F)cc2)CC1 585081459 PIOXVTDVOBZWTJ-SFHVURJKSA-N 367.411 4.057 0 40 FIAB C[C@@]1(C(=O)Oc2ccc(-c3ccccc3)cc2)Cc2ccccc2C(=O)O1 1530987130 OEILNYPMPVOESG-QHCPKHFHSA-N 358.393 4.431 0 40 FIAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)c2cccc(F)c2)CC1 1380401 VYRZLHFAJGKNDA-UHFFFAOYSA-N 355.388 4.100 0 40 FIAB CC(=O)OC(COc1ccc(Cl)cc1)COc1ccc(Cl)cc1 1684116 UFMVOTVTRDHLKX-UHFFFAOYSA-N 355.217 4.383 0 40 FIAB CSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CC(C)(C)OC3 2209029 ZMEOJNGNQQCUJU-UHFFFAOYSA-N 360.508 4.067 0 40 FIAB CCCc1nc2oc3c(N4CCCC4)ncnc3c2c2c1COC(C)(C)C2 2340774 HQBOWCOTNCDDRY-UHFFFAOYSA-N 366.465 4.175 0 40 FIAB CCc1c(C)sc2ncn3nc(-c4ccccc4OC(F)F)nc3c12 2791334 HSKFMJGVWBHJJY-UHFFFAOYSA-N 360.389 4.478 0 40 FIAB CCOCCCn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O 2973439 CLAPOSLHFOCKKS-UHFFFAOYSA-N 368.502 4.424 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(F)cc2)c1C 3475656 UFCUUVRZBIATBR-UHFFFAOYSA-N 366.392 4.040 0 40 FIAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1c(F)cccc1F 3532662 NTNMGWGEDZAEMB-UHFFFAOYSA-N 359.397 4.356 0 40 FIAB CCn1c([C@@H]2CC(=O)N(c3cccc(SC)c3)C2)nc2ccccc21 4033601 WTYIEXSKDNHMRV-CQSZACIVSA-N 351.475 4.299 0 40 FIAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)C1CC1 4078222 ORHPVXSYWCJMRV-UHFFFAOYSA-N 359.398 4.198 0 40 FIAB C[C@H]1NC(=O)N[C@@H]1CCCCCC(=O)Nc1ccccc1-c1ccccc1 4520571 LYZNJIQOYWFAJF-VQIMIIECSA-N 365.477 4.313 0 40 FIAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 4592200 SXKUGWFOVWFKQI-UHFFFAOYSA-N 372.515 4.447 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccc2)cs1 4714737 GJPGHFJEABZMOH-HNNXBMFYSA-N 373.478 4.148 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2)CC1 4741191 WWHJBACCYIUHCD-UHFFFAOYSA-N 359.473 4.234 0 40 FIAB CCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccncc2)s1 4881362 QGTAWNDARKESDQ-UHFFFAOYSA-N 356.426 4.186 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 5211036 AAASTBIGRHRTBL-LBPRGKRZSA-N 356.426 4.039 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)c1 5307837 VVDNGUHJSNSMJT-UHFFFAOYSA-N 357.475 4.348 0 40 FIAB CCCCC1=N[C@@H]2Sc3c(ncn4c(SC)nnc34)[C@H]2C2=C1CCC2 6309887 MZLRSSBWLXQFJU-CXAGYDPISA-N 371.535 4.487 0 40 FIAB Cc1ccc2[nH]c(S[C@H](C)C(=O)N(C)Cc3cccc(F)c3)nc2c1 6972225 QRBQXGGUXGASCT-CYBMUJFWSA-N 357.454 4.150 0 40 FIAB C[C@H](NC(=O)CN1CCSc2ccccc21)c1cc2ccccc2o1 7355574 FEQYMHZAGXBRSX-AWEZNQCLSA-N 352.459 4.222 0 40 FIAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(F)c(Cl)c1 7853588 NBLMYXVVZQSGHT-ZETCQYMHSA-N 372.878 4.024 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)c1C 7858326 BBHIHNGBWDWHFC-GFCCVEGCSA-N 372.494 4.001 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3)cs2)cc1OC 7944277 YBLFODJNDBPUBR-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OCC(C)C 7973572 AUHAJBXFRBYKNS-WQRHYEAKSA-N 365.429 4.383 0 40 FIAB c1nc(Sc2ccc3c(c2)OCCCO3)c2c3c(sc2n1)CCC3 7980337 GYSACFRGLHHNJS-UHFFFAOYSA-N 356.472 4.493 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(CO)c3)cc12 8166495 RLFZBUBFYHXOLN-UHFFFAOYSA-N 363.442 4.140 0 40 FIAB C[C@@H]1C[C@H](Sc2nc(C3CCCCC3)n(-c3ccccc3)n2)C(=O)O1 8271430 ASUVOWMTWCNDPO-CJNGLKHVSA-N 357.479 4.111 0 40 FIAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 8280802 MZEPYVWBLHJOJQ-CQSZACIVSA-N 362.458 4.037 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)cc1 8479988 UIXHJTQPVCBFEZ-FQEVSTJZSA-N 368.477 4.321 0 40 FIAB CC(C)(C)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 8937417 XVMIAATUABHTKR-UHFFFAOYSA-N 358.488 4.359 0 40 FIAB COc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 9064461 OUNOKPWZKUDIQN-MRXNPFEDSA-N 354.450 4.092 0 40 FIAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C)c(C)c2)o1 9204761 NFRVJNGBZFKTRS-UHFFFAOYSA-N 353.418 4.406 0 40 FIAB CCc1ccc(-c2nn(-c3ccccc3)c3[nH]c(COC)cc(=O)c23)cc1 9578682 PVFBZZFWKCFIKF-UHFFFAOYSA-N 359.429 4.090 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)NC2CCCCC2)c1C 10347819 QZXJHVGDZYYLLJ-MRXNPFEDSA-N 357.523 4.419 0 40 FIAB COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(C)nc2c1 10405823 FIGJGUXVZKVUET-UHFFFAOYSA-N 356.809 4.466 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(Cc2cccs2)o1 11694665 DJAXXPOSQRIPMA-UHFFFAOYSA-N 365.867 4.106 0 40 FIAB c1ccc(Cc2nnc(SCc3ccccn3)n2Cc2ccco2)cc1 12551290 WUDDFZZGOFDCBD-UHFFFAOYSA-N 362.458 4.198 0 40 FIAB C[C@H](Sc1nc2ccccc2n1C)C(=O)NCc1ccc(Cl)cc1 12556623 FMBSIMNWZAWFQW-LBPRGKRZSA-N 359.882 4.024 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1nnc(CN2CCCCCCC2)s1 12569145 VCRPJLXPXIAIRQ-UHFFFAOYSA-N 364.902 4.210 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2F)c1 12799792 GFKIDQUMSPSKJT-DLENHJPASA-N 355.409 4.220 0 40 FIAB Cc1ccc(/C=C/c2nc(SCC(=O)c3ccc4c(c3)CCC4)n[nH]2)o1 12981106 UZXXARLJJZAPDK-MDZDMXLPSA-N 365.458 4.340 0 40 FIAB COc1cc2c(cc1OC)[C@H](C)N(C(=S)Nc1ccc(F)cc1)CC2 13635615 NXNWXRXLSFGZDX-LBPRGKRZSA-N 360.454 4.159 0 40 FIAB COc1ccc([C@@H](CC(=O)Nc2cccc3ccccc23)NC(C)=O)cc1 14117711 VODAKKGHXTUAPH-OAQYLSRUSA-N 362.429 4.054 0 40 FIAB Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2ccccc12 14126126 YGUUAOBCTRLNFT-UHFFFAOYSA-N 370.836 4.484 0 40 FIAB Cc1cc(C(=O)COc2ccc3c(c2)OCO3)c(C)n1Cc1ccccc1 14738299 RZLXJNLZHZDOLV-UHFFFAOYSA-N 363.413 4.144 0 40 FIAB O=C(Nc1cccc(F)c1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 15883027 QEBPYYVGLPZMBX-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 16001358 GSZFPJPUTNBJJU-UHFFFAOYSA-N 366.795 4.353 0 40 FIAB CCN(C(=O)c1cc2ccccc2o1)[C@@H]1CN(C(C)=O)C2(CCCCC2)C1 19704187 UXGQJIFXXVNONE-SFHVURJKSA-N 368.477 4.219 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20143963 UEFSCZPOUXHPGL-UHFFFAOYSA-N 361.825 4.353 0 40 FIAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC 20456796 NOLGUZPAFGIATK-INIZCTEOSA-N 371.477 4.253 0 40 FIAB Cc1cccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)no2)c1 21806553 BUVSQDWHEFVRSE-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB CN(Cc1ccc2ccccc2c1)C(=O)CCc1nnc(-c2ccccc2)o1 21926997 UAEAQOMOJSLVKW-UHFFFAOYSA-N 371.440 4.481 0 40 FIAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1F 24560206 IYOUDXDNDHADSN-LJQANCHMSA-N 367.399 4.017 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(-c2nnco2)c1 24740678 JZMFCYRDZGSWNJ-UHFFFAOYSA-N 352.375 4.014 0 40 FIAB C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc2ccccc12 25689178 XQZBKZJVSODYNV-KRWDZBQOSA-N 372.468 4.453 0 40 FIAB COc1ccccc1[C@]1(CCNC(=O)c2ccco2)CCO[C@H](C(C)C)C1 27666559 DIOHBOHOMYPYPX-RBBKRZOGSA-N 371.477 4.181 0 40 FIAB COc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27747245 JLJRQUXDZFJFQK-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1ccn(Cc2ccc(F)cc2)n1 27915884 IYGBTMMOMFOPTM-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB Cc1cc(NC(=O)[C@@H](Sc2ncc3ccccn23)c2ccccc2)no1 31634309 BGSUBYQNRGTMJX-KRWDZBQOSA-N 364.430 4.103 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3ccc(C)cc3)n2)cc1 31848781 XQYYXCMOESPSND-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB CCCCC(=O)Nc1nc(C)c(-c2nc(-c3ccc(OC)cc3)no2)s1 32106402 JNRWDTPDSJNFDD-UHFFFAOYSA-N 372.450 4.306 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3cccc(C)c3C)n2)s1 32593437 NVKGZWSJWHAIEQ-UHFFFAOYSA-N 359.476 4.209 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC 32603672 KZLFFGLQKSJKOO-UHFFFAOYSA-N 363.479 4.327 0 40 FIAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCC2 32863125 WBWHIEIGLRBDQE-SFHVURJKSA-N 363.505 4.158 0 40 FIAB O[C@H](COCC(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21 35590822 FBWABKAPPFKOTG-NRFANRHFSA-N 372.468 4.246 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ccc2c(c1)OCO2 36396568 AMUBBKHCNUWTSC-CQSZACIVSA-N 351.402 4.314 0 40 FIAB CC(C)CN1C(=O)S/C(=C\Nc2ccc(Br)cc2)C1=O 36636226 SWQFMBNHRBDSIV-GHXNOFRVSA-N 355.257 4.054 0 40 FIAB Cc1ccc(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)c(C)c1 45890137 JFMFUVYDYLLXRU-UHFFFAOYSA-N 355.463 4.130 0 40 FIAB CCCn1c(SCc2cccc(C(N)=O)c2)nnc1-c1cccc(C)c1 47438751 WVTHGAMTXAYBGN-UHFFFAOYSA-N 366.490 4.055 0 40 FIAB COC(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(C)c1 55906911 BOYBJWPTISZUEM-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc2ncccc2c1 58016273 KMVLKDUNBIYXLQ-UHFFFAOYSA-N 370.456 4.092 0 40 FIAB CNc1nc2c(s1)[C@@H](c1ccc(OC)c(OCC(C)C)c1)CC(O)=N2 71285634 CGGYYCUPLYGNLM-GFCCVEGCSA-N 361.467 4.352 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2cc(F)ccc2Cl)c(Cl)c1 72330120 SJSRWZJSGIOUHI-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)c3cccnc3)n2)c1 72357800 UJEJIAJZOYQPCL-QFIPXVFZSA-N 373.456 4.053 0 40 FIAB CC(C)c1cnc(S[C@@H](C)C(=O)NCC(=O)c2ccccc2)n1C(C)C 75076946 WOEDQDPFVHFUAJ-HNNXBMFYSA-N 373.522 4.067 0 40 FIAB C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc(-c2cccc(Cl)c2)no1 84636959 CCLNDMGKJKBEDO-CYBMUJFWSA-N 368.820 4.386 0 40 FIAB CON(Cc1ccccc1)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 95468543 YXFKIACKBYOLDD-UHFFFAOYSA-N 372.371 4.143 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1O 95933331 MDRKJMLXLVCUIU-LJQANCHMSA-N 370.401 4.027 0 40 FIAB biogenic O=C(Cc1cc(F)c(F)cc1F)N[C@H]1CCCc2c1[nH]c1ccccc21 96230853 BWWJNPCQFIUMTF-SFHVURJKSA-N 358.363 4.322 0 40 FIAB NC[C@H]1CC[C@H]([C@@H](NC(=O)c2cc3ccccc3o2)c2ccccn2)CC1 100750254 CXXNKXDSYMRXMQ-VWKPWSFCSA-N 363.461 4.064 0 40 FIAB C[C@H](c1nc(-c2ccccc2)no1)N1CCO[C@@H](c2ccc(F)cc2)C1 106074990 BQSXSAUMFVHXPS-RDTXWAMCSA-N 353.397 4.010 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218933545 JCAWXXNSZQUBAV-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)COc1ccccc1C 219376307 ZZAJHJZXISXKIW-MOPGFXCFSA-N 355.478 4.353 0 40 FIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@H](c2ccco2)CC1 219414486 WBGOATZHEHCYCT-ZDUSSCGKSA-N 356.369 4.014 0 40 FIAB Cc1ccc(N2CCC(C(=O)NCCSc3ccccc3)CC2)cc1 219851015 SCJCWKDNOWPSQP-UHFFFAOYSA-N 354.519 4.120 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 222928177 INIAEQGFUZIXPC-HNNXBMFYSA-N 359.491 4.004 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccccc1F)CC(C)(C)O2 224112427 VBWXJQCCMIBTPZ-SFHVURJKSA-N 357.425 4.186 0 40 FIAB CCOc1ccc(C(=O)NCc2nc(-c3cccc(C)c3)no2)cc1Cl 224996560 YLUKTZFIJACULG-UHFFFAOYSA-N 371.824 4.027 0 40 FIAB S=C(NCc1ccccc1Cl)Nc1nccc(-c2cccs2)n1 225184960 LJNMGUBKFGGWMR-UHFFFAOYSA-N 360.895 4.345 0 40 FIAB CCc1ccc(C(=O)N2CCN(c3ccc(-n4cccc4)cc3)CC2)cc1 226245894 GJXSWPCYIIVTQW-UHFFFAOYSA-N 359.473 4.002 0 40 FIAB Brc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1 226299914 FPCMQHSMBDCRCN-UHFFFAOYSA-N 371.263 4.206 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nc(N)sc2c1 226311780 NIWOMCLESXHIEM-UHFFFAOYSA-N 361.854 4.328 0 40 FIAB Cc1ccc(-n2cc(NC(=O)N3CCC[C@H]3c3cc(C)no3)cn2)c(C)c1 515727727 CWEICPMFWNMYDC-SFHVURJKSA-N 365.437 4.155 0 40 FIAB C[C@H](CN(C)C(=O)Nc1cn(Cc2ccccc2)nn1)C1CCCCC1 529072373 QUOXYILZVDOEGH-MRXNPFEDSA-N 355.486 4.007 0 40 FIAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)cc1C 585148149 OQXUEYHHTBRWOC-LJQANCHMSA-N 350.418 4.419 0 40 FIAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccc(-c2ccco2)cc1 585148287 WIYSQZGABMKQLH-IBGZPJMESA-N 367.470 4.279 0 40 FIAB COCC[C@H](Nc1ncnc2onc(C)c12)c1ccc(Cl)c(Cl)c1 672295331 GMWZMMOXGJLOJI-ZDUSSCGKSA-N 367.236 4.423 0 40 FIAB Cn1ncc(NC(=O)N2CC3(CCCC3)c3c(F)cccc32)c1C(F)F 683437767 LLPNDJYXTQPRTL-UHFFFAOYSA-N 364.371 4.361 0 40 FIAB CNC(=O)C[C@@H]1CC2(CCN(CC3CCCCC3)CC2)c2cc(F)ccc21 2055806669 RWSIFIXYUCZPON-GOSISDBHSA-N 372.528 4.363 0 40 FIAB COc1cccc2sc(NC(=O)c3cccc(Br)c3)nc12 1508255 ZRZMFUFCFMSTRX-UHFFFAOYSA-N 363.236 4.320 0 40 FIAB C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)c1ccccc1 1707523 DOQPSLKXZNSSBL-LSOGNMMWSA-N 370.452 4.335 0 40 FIAB O=C(NC(=S)Nc1ccc(Cl)cc1)c1cc(Cl)nc(Cl)c1 2243739 PTGXOVMWKKGRNM-UHFFFAOYSA-N 360.653 4.169 0 40 FIAB CC[C@@H](C)n1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 2377076 UIFJZUHLWWPFQT-SNVBAGLBSA-N 357.479 4.137 0 40 FIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)c1 2723088 BYQJGQWQFSOQLT-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)OC 2974665 ABUKXRNQIBAPPY-UHFFFAOYSA-N 374.444 4.118 0 40 FIAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)o2)sc2c1CCCC2 3214596 WVFFHZBQBQRZNQ-ZHACJKMWSA-N 359.447 4.357 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2)cc1 3261147 XSHRRVLAPQDXJE-HNNXBMFYSA-N 361.397 4.226 0 40 FIAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402269 FEAFCVCXHIMKLO-AWEZNQCLSA-N 374.554 4.177 0 40 FIAB O=C(C1CCCC1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120420 PGPQFWRNZSQWTI-UHFFFAOYSA-N 356.413 4.327 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)c2cc(Cl)cc(Cl)c2)o1 4275997 IQBBJYIMBGMAPL-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2)CC1 4739330 AQVXKBKOAJDVDU-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1 4786587 MCXVLLOVHVWNKL-UHFFFAOYSA-N 373.387 4.144 0 40 FIAB COc1ccc2c(O)c(Oc3ccc(Br)cc3)c(=O)oc2c1 5527380 PFZDMEPJWILMNI-UHFFFAOYSA-N 363.163 4.062 0 40 FIAB biogenic CC[C@H](C(=O)O[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1)c1ccccc1 5640820 JGLLORJGMMGZKF-DOMZBBRYSA-N 370.474 4.399 0 40 FIAB CC(=O)Nc1nn(C(=O)N(c2ccccc2)c2ccccc2)c(=S)s1 5726306 QHAHQLYUQBSEBQ-UHFFFAOYSA-N 370.459 4.439 0 40 FIAB Cc1ccc2[nH]c(SCC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)nc2c1 6292290 FWETWGFUDBIMLL-NSHDSACASA-N 371.428 4.153 0 40 FIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(OC)c(Cl)c2)cc1 6630616 YTIRYBWUZFJVJY-UHFFFAOYSA-N 364.854 4.334 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)N(C)Cc1ccccc1 7003064 PQGKVQJISDCBRW-SFHVURJKSA-N 351.494 4.136 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)s1 7313231 FNGBOTXCEAXEFB-UHFFFAOYSA-N 374.443 4.064 0 40 FIAB Cc1n[nH]c(=S)n1NCc1ccc(-c2ccc(Br)cc2)o1 7602216 QJVZKWPVJKJRGV-UHFFFAOYSA-N 365.256 4.015 0 40 FIAB O=C(COc1cccc(Br)c1)Nc1cccc2cnccc12 7655264 LSLKOQONBGESCB-UHFFFAOYSA-N 357.207 4.015 0 40 FIAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OC(F)F 7886272 AFCHGSGGZVNWEZ-SFHVURJKSA-N 374.387 4.416 0 40 FIAB COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 7917335 MKVFLKORRYMPNV-NRFANRHFSA-N 374.440 4.195 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCC1=CCCCC1 8156411 DJBBPTUCEADWNO-UHFFFAOYSA-N 351.372 4.062 0 40 FIAB CCOc1ccc(C(=O)OCc2nc(-c3cccc(Cl)c3)no2)cc1 8293321 HOESMQSKCJILDO-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2C1 8313839 BZFUIHGJNPUYDQ-CYBMUJFWSA-N 374.481 4.113 0 40 FIAB O=C(Nc1ccccc1)C1CCN(C(=O)Cc2ccc3ccccc3c2)CC1 10444949 JFZFMSANTLLATB-UHFFFAOYSA-N 372.468 4.260 0 40 FIAB CC[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccc(F)cc1 11274534 DGHHOACFULYBCN-HNNXBMFYSA-N 358.394 4.010 0 40 FIAB CCn1/c(=N\C(=O)c2ccc(Cl)s2)sc2cc(F)cc(F)c21 11726444 GCGYBMYFROQNEO-NBVRZTHBSA-N 358.822 4.457 0 40 FIAB COC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1F 12397987 GWOXVUAYJQWEOU-UHFFFAOYSA-N 351.381 4.101 0 40 FIAB CCOc1ccc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12767940 QGQHHMXGXJHKNW-NRFANRHFSA-N 369.461 4.374 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cccc(Cl)c1 12852803 UIDMPRBOTLYCEQ-UHFFFAOYSA-N 354.841 4.464 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCC[C@@H]2CCCC[C@H]21 12977644 HGLFRRFOBPATBB-GHTZIAJQSA-N 374.488 4.274 0 40 FIAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(Cl)cc1 17073728 AMCWRFWKULSLPV-UHFFFAOYSA-N 356.834 4.326 0 40 FIAB C[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)c1ccccc1 19425910 NTBMQMCVYOLUDL-AWEZNQCLSA-N 369.417 4.462 0 40 FIAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)oc12 19887898 PLQZORGYADYXOT-UHFFFAOYSA-N 366.417 4.222 0 40 FIAB c1cc2c(cc1[C@@H]1O[C@H]3CCCC[C@H]3c3cc4c(cc31)OCO4)OCO2 20436603 WDHGTNCMVJMBMN-PCMMCCAGSA-N 352.386 4.290 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1C 20456988 DVNUQLKBPDFXRP-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCCOc1cccc(C(F)(F)F)c1 23142534 DGDVZNIUWLWLJH-UHFFFAOYSA-N 357.759 4.097 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1C 26805309 HVWNHOBZHHWIIV-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccncc1 28221685 HJINPUWOYDIHNY-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(F)cc(F)c1 28886080 JQALQEHVLYCIDU-UHFFFAOYSA-N 374.368 4.112 0 40 FIAB O=C(NCc1cccnc1)c1ccccc1SCc1ccc(F)cc1 30835966 VINMREJGXWPTLF-UHFFFAOYSA-N 352.434 4.443 0 40 FIAB CCc1cc2oc(=O)cc(CN3CCn4cccc4[C@H]3C)c2cc1Cl 32753355 BGCRBIHRNDKDKQ-CYBMUJFWSA-N 356.853 4.387 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CN2CCCC2)cc1 32796012 HQXTWRICJLNWGO-OAHLLOKOSA-N 358.869 4.342 0 40 FIAB O=C(c1ccc(Br)cc1)N(Cc1cccnc1)Cc1ccco1 32905887 IPFDEVCZNLJWHQ-UHFFFAOYSA-N 371.234 4.280 0 40 FIAB O=C(NCc1ccncc1)c1cc2sccc2n1Cc1ccccc1F 35811044 GADBAZSOMOMTGM-UHFFFAOYSA-N 365.433 4.215 0 40 FIAB O=C(c1cccc(OCc2cccnc2)c1)N1CCCc2ccc(F)cc21 44615167 YZOWBYLJFQPAOT-UHFFFAOYSA-N 362.404 4.393 0 40 FIAB O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc2ccccc2cc1O 47187331 PYVUFMUWOGTTTI-UHFFFAOYSA-N 357.369 4.380 0 40 FIAB Cc1oncc1C(=O)Nc1ccc(NC(=O)c2ccc3ccccc3n2)cc1 54349577 GNCBZXVAEHVENC-UHFFFAOYSA-N 372.384 4.036 0 40 FIAB Cc1cc(C)n(-c2ccc(CCNC(=O)c3ccc4ncccc4c3)cc2)n1 57994885 VBARNZMREVNAQC-UHFFFAOYSA-N 370.456 4.010 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Sc2ccccn2)cc1 58218960 FLJBUZHDQZGAOE-UHFFFAOYSA-N 364.426 4.256 0 40 FIAB O=C1c2c(-c3ccco3)nn(-c3ccccc3)c2C(=O)N1c1ccc(F)cc1 58899392 YJXWFWRMDNCKSV-UHFFFAOYSA-N 373.343 4.072 0 40 FIAB Cc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1C 60886842 ALCKEGCGQJZWNI-UHFFFAOYSA-N 372.468 4.190 0 40 FIAB CCOCCCn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O 67259172 MBXOLXWMBCQGHY-UHFFFAOYSA-N 372.465 4.255 0 40 FIAB CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1nc2ccccc2o1 71817205 ZRYQXOHRJQVWBD-UHFFFAOYSA-N 350.397 4.426 0 40 FIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cccc(Br)c2)C1 72406091 CAYLZMUCQMOCIJ-CQSZACIVSA-N 372.222 4.411 0 40 FIAB CCOC(=O)c1ccc(-c2nc3ccc(C(=O)OCC)cc3s2)cc1 73740494 QONIZDFRAMUJHW-UHFFFAOYSA-N 355.415 4.317 0 40 FIAB CC[C@H](C[C@@H](C)CO)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 84727128 NMPPLROANIGBNY-YVWKXTFCSA-N 357.519 4.433 0 40 FIAB COCCN(Cc1ccoc1)C(=O)NC(c1ccccc1)c1ccccc1 85474521 FKFALEDHZAJEKV-UHFFFAOYSA-N 364.445 4.227 0 40 FIAB O=C(c1ccoc1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96038180 VGKCADNBCVLENR-UHFFFAOYSA-N 372.428 4.009 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccc2ccn(C)c2c1 96221556 RJCVVWJQWRZFOG-HXUWFJFHSA-N 373.456 4.476 0 40 FIAB biogenic OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(F)c2)C[C@@H](c2ccccc2)C1 102595529 WYBVYEXCCWRPDB-FOIQADDNSA-N 360.392 4.482 0 40 FIAB CCOC(=O)/C=C1/Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1 103549209 URKTVHFTOOHGSX-XLNRJJMWSA-N 370.452 4.398 0 40 FIAB Cc1c(C(=O)NCc2cccc(Cl)c2)cnn1-c1cccc(Cl)c1 105868922 GSJSWJJKOATCBO-UHFFFAOYSA-N 360.244 4.418 0 40 FIAB C[C@@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 109010620 FBMQDKXUHHBONW-NHAYFPRASA-N 366.461 4.194 0 40 FIAB O=C(Nc1cc(Br)ccc1F)c1ccc(-n2cccn2)cc1 110646123 UNKNFMDTLPGYRZ-UHFFFAOYSA-N 360.186 4.026 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 222993855 GZUXXVCPDKCLTB-UWJYYQICSA-N 371.477 4.053 0 40 FIAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 224176616 GXKGHXBAOMGPPE-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB Cc1ccc(NC(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1F 224291623 HZZNHRUEQONRMY-UHFFFAOYSA-N 356.332 4.500 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)s1 224590757 OEBULKSNCGWCEB-QZTJIDSGSA-N 367.499 4.334 0 40 FIAB S=C(NCc1ccco1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225914048 PJEPHOLKWWLSGD-UHFFFAOYSA-N 360.826 4.002 0 40 FIAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(C)c(Cl)c3)o2)cc1 408714944 YZWLUFZWWKLQDK-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB C[C@H]1CN(Cc2csc(-c3cccc(C(=O)O)c3)n2)C[C@@H](C)C1(F)F 629365444 XAKGCZMSAAYDJU-TXEJJXNPSA-N 366.433 4.231 0 40 FIAB CC(C)[C@H]1N(C(=O)Nc2ccc(Oc3cccnc3)nc2)CC12CC=CC2 646327259 PJQHPBVEHRCEPD-LJQANCHMSA-N 364.449 4.477 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2cccc(F)c2)cn1 1615153606 DSVBQZRIFTXAAF-PMACEKPBSA-N 367.468 4.191 0 40 FIAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)Nc1ccccc1 1775964429 SYOFAJZJCOPGSH-KCUHQSDYSA-N 369.509 4.014 0 40 FIAB biogenic,in-vitro FC(F)(F)c1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 632773 YFNZNHSNMYNMEH-UHFFFAOYSA-N 360.364 4.462 0 40 FIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1Br 638595 NYUJFFNGTCHEJT-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB Cc1c(Cc2ccccc2)sc(NC(=O)c2cccs2)c1C(N)=O 670615 ZNGZCRGXKWSQEO-UHFFFAOYSA-N 356.472 4.060 0 40 FIAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1C1CCCCC1 797518 ZTTQXZFTMSXDJO-UHFFFAOYSA-N 364.902 4.247 0 40 FIAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)c3cccs3)n12 928529 PYEOYOHYFUPXAD-UHFFFAOYSA-N 369.471 4.236 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 1207370 ZLGRFLSGQYHOSJ-AWNIVKPZSA-N 358.376 4.212 0 40 FIAB CC(=O)N(Cc1ccccc1Cl)Cc1cc2cc(C)ccc2[nH]c1=O 1359233 JGUPJJKUUZRPCF-UHFFFAOYSA-N 354.837 4.039 0 40 FIAB CCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 2314466 PPUVITCMISRZSL-UHFFFAOYSA-N 373.416 4.044 0 40 FIAB CCOC(=O)c1ccc(C(=O)c2ccccc2CN2CCCCC2)cc1 2515499 YZGKHORPLFNZPK-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB O[C@@H](COCc1ccc(Cl)cc1)CN1CC=C(c2ccccc2)CC1 2662643 BYAMWNBPPCGXMO-OAQYLSRUSA-N 357.881 4.007 0 40 FIAB Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)nc1-c1ccc(F)cc1 2737981 HZCIMJLAYGKQHT-ZIAGYGMSSA-N 362.426 4.087 0 40 FIAB CCCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1OC 2849503 ZGRSQCBZJOHHCW-LFIBNONCSA-N 371.820 4.482 0 40 FIAB O=C(OCc1nnc(-c2ccccc2)o1)c1c2c(nc3ccccc13)CCC2 3531700 MYAMYMZFVUWZNA-UHFFFAOYSA-N 371.396 4.131 0 40 FIAB COCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1 4169364 BNRSWZSNUUYYPL-UHFFFAOYSA-N 374.487 4.173 0 40 FIAB O=C(c1ccc2ccccc2c1)N1CCN(c2nc3ccccc3s2)CC1 4224066 CSNSIKSCKUMIND-UHFFFAOYSA-N 373.481 4.412 0 40 FIAB CCS(=O)(=O)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 4304861 MTRJYGLYBRPJNY-UHFFFAOYSA-N 369.273 4.185 0 40 FIAB O=C(CCCCCCCC(=O)NCc1ccccc1)NCc1ccccc1 4412963 ZLEOTQCYSOVPMC-UHFFFAOYSA-N 366.505 4.350 0 40 FIAB biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(c2ncccn2)C1 4966191 UROSSZFQQINFKF-QGZVFWFLSA-N 374.444 4.124 0 40 FIAB Cc1ccc(C(=O)CCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)s1 5151001 HUZHYKAPBPUNTK-UHFFFAOYSA-N 369.442 4.235 0 40 FIAB CSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 5484653 DINWESQSUVYUIP-UHFFFAOYSA-N 373.865 4.384 0 40 FIAB CCCN(CCC)S(=O)(=O)c1cccc(-c2cn3cccc(C)c3n2)c1 6244497 YDEXVUVDBAQWRG-UHFFFAOYSA-N 371.506 4.120 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)c1ccc(COc2ccccc2)cc1 6344500 ASLAXWUSCPXKIA-UHFFFAOYSA-N 351.431 4.247 0 40 FIAB O=C(COc1ccccc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 6625929 SYBVUNFYMCPOSL-UHFFFAOYSA-N 358.393 4.063 0 40 FIAB COc1cccc(Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 6980275 QCQGMJRAKZMFIK-UHFFFAOYSA-N 359.476 4.260 0 40 FIAB CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112493 XNOUKYLZIQFVLY-FQEVSTJZSA-N 361.401 4.005 0 40 FIAB O=S(=O)(Nc1cccc(Cl)c1F)c1ccccc1Br 7387696 SPRAIHCLRHOOHJ-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 7684644 YZIAHXDWODMQCY-UHFFFAOYSA-N 362.454 4.330 0 40 FIAB CCc1ccc([C@H](NCC(=O)Nc2ccc(OC)cc2OC)C(C)C)cc1 7872597 AZPFWKVLIDVVAB-JOCHJYFZSA-N 370.493 4.192 0 40 FIAB COc1ccccc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C(C)C)CC1=O 7929000 JBDQPHSECUVQBF-INIZCTEOSA-N 367.445 4.086 0 40 FIAB COCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 8469056 JTTYSSNZMCZZGH-UHFFFAOYSA-N 370.276 4.317 0 40 FIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1F 8745149 IMWXXFCJFDALSZ-APWZRJJASA-N 358.844 4.236 0 40 FIAB CC(=O)Oc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 8764357 LVGZTLGJOJNKII-UHFFFAOYSA-N 364.397 4.489 0 40 FIAB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2F)C1 8782382 KSCYNJPSJPOFPH-JTQLQIEISA-N 367.207 4.124 0 40 FIAB CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)C)cc1 8845755 IRFDXWXDLZKXTQ-NRFANRHFSA-N 361.445 4.471 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3ccc(F)cc3)cs2)cc1 8984237 HRYNVJUNZOTZDA-ZDUSSCGKSA-N 370.449 4.378 0 40 FIAB CC1(C)Cc2nc3sc4c(=O)[nH]c(-c5ccccc5)nc4c3cc2CO1 9168992 CAJBWTGTRDQTME-UHFFFAOYSA-N 363.442 4.051 0 40 FIAB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2cccnc2)c1 9210150 ZKPVZFCUGXTYMV-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB C[C@H](CC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 9314601 OHVLBXGUMGQNMZ-GFCCVEGCSA-N 365.260 4.242 0 40 FIAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1ccc(Br)cc1 9365704 IOQXBXSDLSRSNO-UHFFFAOYSA-N 362.223 4.189 0 40 FIAB C[C@H](c1ccccc1)N(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 10030956 ZXCRAMBUWHUEGH-SJKOYZFVSA-N 374.893 4.363 0 40 FIAB CCOc1ccc(-c2cc(-c3nc(-c4ccccc4F)no3)[nH]n2)cc1 10272978 PJNCIGXFKOHPGI-UHFFFAOYSA-N 350.353 4.332 0 40 FIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)c(F)c1 10985597 LTXCKEJLTFYAPM-UHFFFAOYSA-N 359.401 4.427 0 40 FIAB COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccco1 12062710 KTOHNEADJFQUKE-ZHACJKMWSA-N 374.333 4.161 0 40 FIAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C3CC3)cc2)n1 12220518 QFNCMYCYIJEEFF-UHFFFAOYSA-N 372.472 4.355 0 40 FIAB CCCCSC1=Nc2c(cnn2-c2ccc(C)cc2)C2=NCCCN12 12409346 YGKKFEYQSYBZQK-UHFFFAOYSA-N 353.495 4.167 0 40 FIAB c1ccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3c3ccccc23)cc1 12409963 OTWGVVNGZSAIPW-UHFFFAOYSA-N 366.380 4.340 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccccc1 12922499 NOMOYFMVBOIION-CYBMUJFWSA-N 354.431 4.393 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 13002425 AKGMPIVTLBUMNU-AWEZNQCLSA-N 351.402 4.282 0 40 FIAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(C2SCCCS2)c1 13468309 OWHVAFQFQVPHEV-GJZGRUSLSA-N 363.504 4.161 0 40 FIAB CCOc1ccccc1NC(=O)c1ccc(COCC(F)(F)F)cc1 14188153 ZBMMGNFVZPBYEV-UHFFFAOYSA-N 353.340 4.417 0 40 FIAB COc1ccc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)cc1 14819519 DDLPIQXHEKZHQX-UHFFFAOYSA-N 352.386 4.389 0 40 FIAB endogenous,in-man COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 15431967 HTIBRTPOHVFFCE-UHFFFAOYSA-N 368.216 4.222 0 40 FIAB COc1cc(C)c(NC(=O)CCC(=O)c2ccc(Cl)cc2)cc1OC 15948880 VLIKIYCARYZTAZ-UHFFFAOYSA-N 361.825 4.267 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CC(=O)N2 16977029 GYWBFQIZMGOSKQ-UHFFFAOYSA-N 367.792 4.050 0 40 FIAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 20502470 KAJNQKTWZFGKOA-QPGLYAHGSA-N 373.500 4.070 0 40 FIAB CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 20858402 HZSKYSWJICNDIS-RTBURBONSA-N 370.518 4.211 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)N[C@@H](C)CCc3ccccc3)c2C)no1 22008412 MEQDHRKQOZGSMN-AWEZNQCLSA-N 351.450 4.142 0 40 FIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)c(F)c1 22432108 BUTRXLSIXKQNSY-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccnc1-n1cccn1 23177185 BPHGPFHSLDVJAE-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB COc1ccccc1Nc1nn(CN2CCCC[C@H]2C)c(=S)s1 25196982 HAEODIXFEKDSHR-GFCCVEGCSA-N 350.513 4.258 0 40 FIAB C[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccc(Cl)cc1 28095985 ZMECYMLIRRJOTJ-CYBMUJFWSA-N 352.825 4.365 0 40 FIAB O=C(NCc1cc(F)cc(F)c1)C1(c2ccc(Br)cc2)CC1 30159349 JLEIFGABTMTCAR-UHFFFAOYSA-N 366.205 4.075 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CCCc1nc(-c2cccs2)no1 31662657 IYEMXLVKNPOQMQ-ZDUSSCGKSA-N 353.447 4.099 0 40 FIAB COCc1ccccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 31875810 DVSBTLIAQDDJJU-UHFFFAOYSA-N 363.442 4.462 0 40 FIAB Cc1nc(NC(=O)c2cc(Cl)sc2Cl)sc1-c1nccn1C 32894977 KITMAKLXIYKCIZ-UHFFFAOYSA-N 373.290 4.473 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@@H](O)c2ccc(Cl)cc2)c(OC)c1 32906827 BUCVHRHBRHOFOU-RBUKOAKNSA-N 361.869 4.228 0 40 FIAB Cc1nc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)sc1C 32932195 DXYXEIJSHSMVID-ZDUSSCGKSA-N 372.519 4.225 0 40 FIAB Cc1nnc(SCCN2CCCCC2)c2nn(-c3ccccc3)c(C)c12 36646290 WJFVEVREBANPQB-UHFFFAOYSA-N 367.522 4.010 0 40 FIAB COC(=O)c1cc(OCc2ccc(Cl)cc2)c2cc(OC)ccc2n1 38486937 JVQAZSQQHMKPQM-UHFFFAOYSA-N 357.793 4.262 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1 38752153 KHGCPWNLZOFSMJ-IBGZPJMESA-N 355.434 4.276 0 40 FIAB CNC(=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccco2)cc1 40059733 XRFTZEGIZNSGSI-UHFFFAOYSA-N 368.864 4.495 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)N[C@H](C)c1ccccc1F 40130381 YTHYYEONTVICSX-CYBMUJFWSA-N 369.415 4.187 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc3cc(OCC)ccc3n2C)cc1 46007422 GJQVUGGLNOUTLZ-UHFFFAOYSA-N 366.417 4.006 0 40 FIAB Cc1ccccc1[C@@H]1CC(c2ccco2)=NN1S(=O)(=O)c1ccccc1 49550042 BKNVZXCEXQDQOQ-IBGZPJMESA-N 366.442 4.128 0 40 FIAB NC(=O)/C=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 57327513 FGDXQVZYKLZMIA-ZZXKWVIFSA-N 360.129 4.226 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(OC)cc1)CO3 58088645 MZKGBXWLQCFELN-UHFFFAOYSA-N 365.429 4.025 0 40 FIAB biogenic Cc1ccccc1/N=c1\oc2ccccc2cc1C(=O)NCc1ccco1 67295335 AAZZHBFRNYQVMK-GYHWCHFESA-N 358.397 4.497 0 40 FIAB COc1ccc(C)cc1CN1C[C@@H](c2cc[nH]n2)[C@H](c2ccc(F)cc2)C1 72395790 WWWSRZPZPVSWII-VQTJNVASSA-N 365.452 4.249 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1sccc1S(C)(=O)=O 79046460 NMQDBFNFVLNGBH-JTQLQIEISA-N 372.899 4.030 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 80330305 ZLVYCEWABNTTIP-QRWLVFNGSA-N 374.481 4.025 0 40 FIAB O=C(Nc1cccc(-c2ncco2)c1)c1ccc(N2CCCCCC2)nc1 89780570 BWDOEQNJIMPTBO-UHFFFAOYSA-N 362.433 4.369 0 40 FIAB C[C@@H]1CN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)c2ccccc21 95350359 OZFBNQGWCPFQDD-ZIAGYGMSSA-N 372.465 4.036 0 40 FIAB O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cccc(-n2cccc2)c1 96013949 MANFIIOCWHNJAM-FPOVZHCZSA-N 364.420 4.267 0 40 FIAB CCOc1cc(/C=C2/C(=O)Oc3ccccc32)cc(Br)c1O 96035512 ZMXXRJFDKKPDLR-KPKJPENVSA-N 361.191 4.013 0 40 FIAB COC(=O)c1nc(NC(=O)c2sc(C)nc2C(C)C)sc1C(C)C 96230759 ZUXJYHQQBHGGRM-UHFFFAOYSA-N 367.496 4.194 0 40 FIAB CN(C)C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 96968076 STSKQUKACYYHCC-MRXNPFEDSA-N 352.265 4.418 0 40 FIAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 101277111 BNVQBRHAOKXJNI-HNNXBMFYSA-N 363.244 4.300 0 40 FIAB C[C@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]2CC[C@H]1C2 103112257 RTXZBUSSCJLHIH-STIGTJGOSA-N 360.567 4.018 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)CC1=O 103718153 BPMNYYJCDVVRRV-MRXNPFEDSA-N 350.462 4.284 0 40 FIAB COc1cccc(/C=C/C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1OC(F)F 110509153 LZWLNHJJYCYJLW-JPZPJLSBSA-N 353.409 4.251 0 40 FIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(F)c(F)c1 219462341 ZEQSCFXMQCCGKD-UHFFFAOYSA-N 366.367 4.497 0 40 FIAB CCSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 223758740 CUQKRWXREFRANT-UHFFFAOYSA-N 357.884 4.261 0 40 FIAB COc1ncccc1NC(=S)NCc1ccc(-c2ccc(Cl)cc2)o1 223915072 FEYDTJXPTBTHMH-UHFFFAOYSA-N 373.865 4.490 0 40 FIAB Cc1c(Cl)cnc(NC(=S)NCc2ccccc2)c1Br 223922032 BSZKNDKSLQCBDI-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB COc1ccc(CN(C)C(=O)C2(c3ccccc3)CCCC2)cc1OC 225576095 XNFTZMCMOAELFH-UHFFFAOYSA-N 353.462 4.174 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(F)c(Cl)c1 225582016 GRQMZNBOOJUKJG-CQSZACIVSA-N 357.926 4.420 0 40 FIAB COc1cccc(CCCNC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225665922 VIEGUDMWTFLXQX-UHFFFAOYSA-N 355.478 4.498 0 40 FIAB C[C@](CO)(CNC(=O)c1cc(Cl)c(F)cc1Cl)Cc1ccccc1 506221509 USLZGWHFYHUISQ-GOSISDBHSA-N 370.251 4.104 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H]2CC[C@H]1c1ccccc12 585080506 XLGBQVKEVIBUGC-UTKZUKDTSA-N 351.494 4.159 0 40 FIAB Cc1ccc(-c2nn(CCO[C@@H]3CC3(F)F)c(=O)c3ccccc23)cc1C 664004928 JTDOADMYWNCEAV-GOSISDBHSA-N 370.399 4.105 0 40 FIAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)c2c1 674548482 BGXHOQIUYZOSML-GOSISDBHSA-N 374.488 4.403 0 40 FIAB CCCCOc1ccc(C(=O)c2cc3ccc(OC)cc3oc2=O)cc1 1889236527 CYABZGBTQFHMNM-UHFFFAOYSA-N 352.386 4.212 0 40 FIAB CC1(C)C[C@@H]2CN(Cc3ccncc3F)CC[C@@H]2N1c1cccc(F)c1 2037988783 IBVIPMSXFPGECC-UZLBHIALSA-N 357.448 4.239 0 40 FIAB O[C@H](COC[C@H]1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1 795278 YNYFYZRFYNNBDF-ZEQRLZLVSA-N 365.517 4.423 0 40 FIAB CCc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 875994 BHJYFGGUBBMSLJ-UHFFFAOYSA-N 372.421 4.325 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C)n2-c2ccc(C)cc2)cc1 925067 ODQUUFDHPVODBL-HNNXBMFYSA-N 366.490 4.312 0 40 FIAB Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cc(Cl)cc(Cl)c1 1385708 NVMHRKYJIWLBBP-UHFFFAOYSA-N 365.195 4.274 0 40 FIAB C[C@@H]1CCc2sc3nc(SCC(=O)c4ccccc4)nc(N)c3c2C1 2208299 DFVWCINWKWFMII-LLVKDONJSA-N 369.515 4.373 0 40 FIAB Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccc(C(C)(C)C)cc1 2488056 FWUBANQNDVWNLG-NRFANRHFSA-N 371.864 4.359 0 40 FIAB Cc1sc2ncnc(SCC(=O)N(C)Cc3ccccc3)c2c1C 3222540 PAZZJBAKFGCWQU-UHFFFAOYSA-N 357.504 4.059 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1C 3436394 MCDCNDFQNJRFDK-KRWDZBQOSA-N 370.880 4.448 0 40 FIAB O=C(COc1ccccc1Cl)NC(=O)Nc1cccc(C(F)(F)F)c1 3466075 SVHGWWFMHGOAMQ-UHFFFAOYSA-N 372.730 4.086 0 40 FIAB O=C(CCCc1ccccc1)NCCc1csc(-c2ccccc2)n1 4166997 PCBTYOGVFAWIPI-UHFFFAOYSA-N 350.487 4.492 0 40 FIAB COc1cc2nc(NC(=O)c3cccc(SC)c3)sc2cc1OC 4517566 HIBKSLXWLFULCP-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB O=C(c1ccc(-c2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 4711173 NBIWOMZEYVUTSK-UHFFFAOYSA-N 350.393 4.048 0 40 FIAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4816640 XXSXIFCHVGPLHS-ZWKOTPCHSA-N 366.852 4.409 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1C(=O)O 4825771 KCBOJZHOVDMTAF-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB CCc1ccccc1NC(=O)CSc1nc(-c2cccc(C)c2)n[nH]1 5445019 UKVMYCBUKMDKNJ-UHFFFAOYSA-N 352.463 4.073 0 40 FIAB CCN(C(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1 6630124 AIMXHWMILQWKJI-UHFFFAOYSA-N 357.251 4.457 0 40 FIAB CN(C)C(=O)[C@@H](Oc1ccc(Br)cc1Cl)c1ccccc1 6842053 ZCBWUXZXKSIIAR-HNNXBMFYSA-N 368.658 4.311 0 40 FIAB CCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1 6997788 SAAPQGXAWNOTPR-UHFFFAOYSA-N 364.445 4.162 0 40 FIAB COc1cc(OC)cc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)o2)c1 7090547 HWRCYBPLFRSXMD-VIFPVBQESA-N 361.250 4.040 0 40 FIAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1 7604244 QOWSZFNZKDUYKN-NSHDSACASA-N 368.300 4.346 0 40 FIAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1ccccc1 7605058 PBXLEYOBCMVNBU-UHFFFAOYSA-N 369.490 4.198 0 40 FIAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(Cl)s1 7985699 NCRIMQGRNSZWHA-UHFFFAOYSA-N 374.632 4.187 0 40 FIAB OCCCNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 8147571 BCMAIMOLRPSFLE-UHFFFAOYSA-N 362.458 4.215 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2)n1 8476936 MCCKELWOHSISMB-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB Cc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 9318092 PCCDXXWTTVYURD-UHFFFAOYSA-N 357.413 4.474 0 40 FIAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1 9335917 DPEGGIASKZFGTI-CQSZACIVSA-N 373.522 4.252 0 40 FIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Br)s1 9606201 MHMQDCVUWVNDJX-UHFFFAOYSA-N 364.220 4.032 0 40 FIAB COc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccnc4)cc3o2)cc1 9660289 ZYROOSDUYXRRRR-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB biogenic Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 12567136 CZULXELSONAUEB-IBGZPJMESA-N 365.521 4.444 0 40 FIAB CN1CCN(C(=O)/C=C/c2c(F)cccc2Cl)[C@H](c2ccccc2)C1 12793508 NYZAIWYTCNTFAU-VYENPZKTSA-N 358.844 4.008 0 40 FIAB O=C(NCCCc1ccccc1Cl)c1ccccc1Br 13669729 DWHUMOFPJRDCDC-UHFFFAOYSA-N 352.659 4.465 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13709162 FHJBISMTZJJIRY-OAHLLOKOSA-N 363.413 4.341 0 40 FIAB C[C@@H]1CCCCN1CC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 16338611 HQMFJRSRTMDNBB-YLJYHZDGSA-N 350.462 4.028 0 40 FIAB O=C(NCCc1ccccc1)c1cc(-c2cccnc2)nc2ccccc12 17357437 GMEQYLXEVGMZFZ-UHFFFAOYSA-N 353.425 4.269 0 40 FIAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CCSCC3)cc2n1 19116834 DCEHVJLFPQKODK-CQSZACIVSA-N 370.444 4.089 0 40 FIAB CN1CCCCC[C@@H]2N(C(=O)c3cccnc3)[C@H](c3ccccc3)C[C@@]21C 19713512 MDVZJQNSFMPWMS-FUDKSRODSA-N 363.505 4.302 0 40 FIAB Cc1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 20491089 JYSFJJXPPYVYNR-UHFFFAOYSA-N 353.443 4.266 0 40 FIAB CCc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1 20612068 MBMCWYBNPPGLKG-UHFFFAOYSA-N 370.880 4.393 0 40 FIAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C)cc1)C3 20632495 AFSWBGINOUPOGV-OAHLLOKOSA-N 366.490 4.238 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(Cl)c2c(c1)OCO2 24588486 OPYLHIFAKZPUIU-UHFFFAOYSA-N 369.808 4.124 0 40 FIAB CN(C)C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 26323163 PDLVSTZTHMXUIF-GOSISDBHSA-N 369.852 4.028 0 40 FIAB CN(C)C(=O)[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1 26490239 DSEZJJRZKHEAIO-HNNXBMFYSA-N 372.881 4.047 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1csc2c1CCCC2 27159893 BMUHITGOBQJEMW-UHFFFAOYSA-N 365.502 4.144 0 40 FIAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC[C@@H]1CCCO1 27397407 RSHHCRVFAHWZPS-ZDUSSCGKSA-N 370.396 4.046 0 40 FIAB C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 29328367 JHBBRFPFADGYCM-KBXCAEBGSA-N 368.868 4.223 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)c1 29704475 HLHRXLQKLNFQPR-LLVKDONJSA-N 353.340 4.214 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1O 32921869 YNPHWSPXTDPNBQ-UHFFFAOYSA-N 370.630 4.134 0 40 FIAB Cc1cccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)c1C 33063878 OVQMHFKQWMPWBU-UHFFFAOYSA-N 370.449 4.156 0 40 FIAB CCCCNc1nc(CSc2ccccn2)c(C(=O)OCC)s1 36612026 GMKNRJODMJMSPT-UHFFFAOYSA-N 351.497 4.219 0 40 FIAB CCn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccnc1 38536888 DYEVZHOTQQLJCF-UHFFFAOYSA-N 360.870 4.185 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCc2cccnc2)cc1 40069908 CAWSOUCCLKIWRX-UHFFFAOYSA-N 374.440 4.262 0 40 FIAB COc1ccc(CN2CCc3ccccc3C2)c(Br)c1OC 40156903 RBADAWLCQPSTSS-UHFFFAOYSA-N 362.267 4.025 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN1CCC(C)CC1 44850189 FYWHOSCICHXZPT-NRFANRHFSA-N 368.521 4.235 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)NCc1cccnc1OC1CCCC1 46688688 PRINMYJNLGRSTC-OAHLLOKOSA-N 356.491 4.200 0 40 FIAB CS(=O)(=O)c1ccccc1NC(=O)N[C@H](c1ccccc1)C1CCCC1 47397162 WANXCTREOGFOAB-LJQANCHMSA-N 372.490 4.143 0 40 FIAB O=C(Oc1cccc2ccc(N3CCCC3)nc12)c1ccc(F)cc1F 48342478 FPEONPHWVHHCOW-UHFFFAOYSA-N 354.356 4.332 0 40 FIAB CCOC(=O)c1c(NCc2cccc(Cl)c2)c2cc(F)ccc2[nH]c1=O 49001403 LYURLHJWVNQZQA-UHFFFAOYSA-N 374.799 4.109 0 40 FIAB O=C1C[C@H](c2ccc(C(=O)O)cc2)c2snc(-c3ccc(F)cc3)c2N1 49549091 UYASMFDKXNQPSG-CQSZACIVSA-N 368.389 4.122 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)N[C@H](CC(F)(F)F)c1ccccc1 56344935 AGSXEHBNGGATMD-CQSZACIVSA-N 366.339 4.273 0 40 FIAB Cc1nc(CN(C)C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cs1 58363835 YYXMRFQJBMJREJ-JTQLQIEISA-N 357.401 4.373 0 40 FIAB COc1ccc2oc(/C=C/C(=O)Nc3cc(C(C)=O)ccc3OC)cc2c1 67339607 KNNQKWIPVDCFCO-RMKNXTFCSA-N 365.385 4.305 0 40 FIAB CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 71845361 VVPHCLDJSIGVDB-SJORKVTESA-N 352.425 4.495 0 40 FIAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)=O)cn1 72214712 KFMMIIISPUCSEF-KRWDZBQOSA-N 361.486 4.307 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 72333818 SGDXNMGZHSXVOH-GFCCVEGCSA-N 366.244 4.336 0 40 FIAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)c2ccncc2)n1 72357823 HFIZHZDRPAHPDJ-OAQYLSRUSA-N 373.456 4.053 0 40 FIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)n2)c1 72369901 RSCNCQYPRAZJBD-OAHLLOKOSA-N 371.387 4.013 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)N1CCC(c2ccsc2)CC1 75157164 XKGWLXJDBZAGMI-UHFFFAOYSA-N 355.912 4.111 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Sc2cccc(Br)n2)CC1 83323390 JPTHINGZNJXIBY-UHFFFAOYSA-N 373.316 4.336 0 40 FIAB COc1ccc2c(c1)cc(I)n2C(=O)OC(C)(C)C 85224886 RHFYEQRBIYQYPB-UHFFFAOYSA-N 373.190 4.038 0 40 FIAB Cc1cn2nc(NCCOc3ccccc3-c3ccccc3)sc2n1 95377628 LNECRZBOAJJBDR-UHFFFAOYSA-N 350.447 4.257 0 40 FIAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 153886324 HZPYTFCOVNZYGM-ZDUSSCGKSA-N 357.325 4.366 0 40 FIAB CCCOc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 218983297 TYNRMCMVJLCDLZ-UHFFFAOYSA-N 371.824 4.109 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222839116 KUNHCDGVBNHLGV-PMACEKPBSA-N 362.502 4.253 0 40 FIAB CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2SC)cc1 223437182 GLNIYDVQIKKCDC-UHFFFAOYSA-N 357.884 4.261 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1cccc(C)c1C 223946007 HHBVNRHYOHPJOH-IBGZPJMESA-N 355.478 4.273 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)C 225612731 UDPCHYWEPGMOAX-LBPRGKRZSA-N 359.297 4.035 0 40 FIAB CO[C@@H](CNC(=O)c1ccc2ncsc2c1)c1ccc(Cl)s1 225701963 WXBXWALZZQEAFF-NSHDSACASA-N 352.868 4.129 0 40 FIAB Cc1cccc2cc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)oc12 226034232 HANGNQGNNQFBGF-UHFFFAOYSA-N 362.212 4.338 0 40 FIAB COc1ccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)s2)cc1 247899832 FKFGESVOOFWKEA-ZTFGCOKTSA-N 366.486 4.283 0 40 FIAB COc1cccc2cc(C(=O)NCc3ccnc(-c4cccs4)c3)oc12 252549427 REODQFDZDVBSGG-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB Cc1nn(CCNC(=O)/C=C/c2ccccc2F)c(C)c1-c1ccccc1 253474920 LWCBXUDXDIUEHG-OUKQBFOZSA-N 363.436 4.136 0 40 FIAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257307427 SYOYMKGSXWYFRT-LJQANCHMSA-N 365.408 4.167 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)c(OC)c3)N21 260774999 OQOJDEFNAWCCCX-ZMYBRWDISA-N 369.490 4.078 0 40 FIAB OC[C@H](CNCc1ccc2occc2c1)Cc1cccc(Br)c1 511789536 WRQWCASTKVCJDH-INIZCTEOSA-N 374.278 4.136 0 40 FIAB CSCc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 608989867 KKJWOVYWJAPLLN-YJBOKZPZSA-N 368.502 4.098 0 40 FIAB O=C(Nc1cnc2c(c1)CCCC2)N[C@H](Cc1ccccc1)c1ncco1 654032840 AGOACLGRECYAAX-LJQANCHMSA-N 362.433 4.054 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)Nc2cccc3cccnc23)cc1C 1616026745 SAZVFOBNAHMKET-UHFFFAOYSA-N 356.447 4.051 0 40 FIAB O=C(c1csc(Nc2cc(F)cc(F)c2)n1)N1CCc2ccccc2C1 1628452432 NJRFTLIOBWONCI-UHFFFAOYSA-N 371.412 4.363 0 40 FIAB Cc1ccc2c(CN3C[C@@H](O)Cc4ccc5ccccc5c43)cc(=O)oc2c1 1775996319 GKLSZRULNRYIAQ-IBGZPJMESA-N 371.436 4.178 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 835963 DQCOSXHDPAOWOB-UHFFFAOYSA-N 350.374 4.183 0 40 FIAB CCOC(=O)C(C(=O)OCC)[C@H](c1ccccc1)c1c[nH]c2ccccc12 2029279 LQWQESSMLDEAJS-LJQANCHMSA-N 365.429 4.042 0 40 FIAB CCCCN(CCCC)CCCn1cnc2c([nH]c3ccccc32)c1=O 2334419 KELDOZJUKUGAFF-UHFFFAOYSA-N 354.498 4.170 0 40 FIAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714764 XXFGAHKJVDKZPD-UHFFFAOYSA-N 362.408 4.285 0 40 FIAB COc1cc(C)ccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCC1 3336452 MBQKZJDDEBFBHA-UHFFFAOYSA-N 374.868 4.275 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 3337143 HHNZVNNMQWMXTR-UHFFFAOYSA-N 370.758 4.036 0 40 FIAB O=C(Nc1ccccc1I)c1cccc(Cl)c1 3549416 AJEWBTNIEHFFDA-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB Cc1ccccc1Cn1c(CCNC(=O)c2ccccc2)nc2ccccc21 3905961 FFDPJSYVXGNATJ-UHFFFAOYSA-N 369.468 4.366 0 40 FIAB CCN(CC)C(=O)[C@H](C(C)=O)C1c2ccccc2Sc2ccccc21 5060830 SWGCOQUUDDWWHA-LJQANCHMSA-N 353.487 4.357 0 40 FIAB O=C(Nc1cccc(F)c1)[C@@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 5944325 RIRNTNCTSCKVLB-ZIAGYGMSSA-N 358.388 4.348 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)oc2c1 6296104 COHGDBGORGKZMQ-UHFFFAOYSA-N 364.188 4.345 0 40 FIAB O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1F 6430100 HNEIMNXIMOELLT-UHFFFAOYSA-N 363.404 4.053 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(F)c1C 6440761 GQDSRDMLGXLLOB-IFXJQAMLSA-N 372.440 4.414 0 40 FIAB c1ccc(CN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)cc1 6721476 GSAMBJCRPBIQDW-UHFFFAOYSA-N 354.457 4.474 0 40 FIAB CCc1nnc2c(Nc3ccc(OC)c(Cl)c3)nc3ccccc3n12 6791757 DYHMMBMHVTVLJK-UHFFFAOYSA-N 353.813 4.246 0 40 FIAB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Cl 6958009 GMQFRGWXGSKILC-GHXNOFRVSA-N 353.249 4.358 0 40 FIAB CCOc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1OC 7342854 ZPUUIRPUPYFOAY-BOPFTXTBSA-N 370.430 4.188 0 40 FIAB CCOc1cc(/C=C/C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OC 7652118 XRHWXXPTABWLOT-BJMVGYQFSA-N 361.825 4.408 0 40 FIAB CN(Cc1ccc(Br)s1)C(=O)Cc1c[nH]c2ccccc12 7980634 ZNAVFJREUGDVJL-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB Cc1c(Cl)c(Cn2ncc(Cl)c(Cl)c2=O)nc2ccccc12 8221164 GWNMOOWJRLNGSC-UHFFFAOYSA-N 354.624 4.108 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2C)n1 8476694 AJYWTXWTUWUKNG-UHFFFAOYSA-N 372.831 4.175 0 40 FIAB CC(=O)N1CCC(C(=O)Oc2cc(C)ccc2Cl)(c2ccccc2)CC1 8935866 KVNARMBTBZPNMD-UHFFFAOYSA-N 371.864 4.134 0 40 FIAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 9062948 YMEAUQQYDOVHQS-UHFFFAOYSA-N 350.462 4.048 0 40 FIAB Cc1cc2ccccc2n1CC(=O)OCc1coc(-c2cccs2)n1 10622119 PPFJZGILFYIJBG-UHFFFAOYSA-N 352.415 4.410 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 10764524 NBJSBXMXFOLJHU-UHFFFAOYSA-N 374.893 4.340 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 11637307 GSFQNEGAERYPNK-IBGZPJMESA-N 355.434 4.276 0 40 FIAB Cc1cc(OCC(=O)Nc2nc(-c3ccccc3)ns2)cc(C)c1Cl 11914942 ZXNGETMVYMAWSG-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB COc1ccccc1C1(NC(=O)CCn2ncc3ccccc32)CCCC1 12143056 GRDBGZSNQXRUFD-UHFFFAOYSA-N 363.461 4.021 0 40 FIAB CN(Cc1ccco1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 12683154 NYDLBAIENQWOON-UHFFFAOYSA-N 371.440 4.464 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C)cc2)c(OC)c1 12770578 RJRLFWOQDNKPNQ-YPNIWSFNSA-N 351.446 4.389 0 40 FIAB Cc1nc(-c2cc(C(=O)Nc3ccc(OC(F)F)cc3)n(C)c2)cs1 12926880 QNQXOTWRLYXZTL-UHFFFAOYSA-N 363.389 4.311 0 40 FIAB CC[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(C)cc1 12938453 GGOYLNHGTFYPFW-MRXNPFEDSA-N 354.475 4.389 0 40 FIAB COc1ccc(CCC2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)cc1 12945689 FVWOIGCKLWDUIW-UHFFFAOYSA-N 371.452 4.328 0 40 FIAB Cc1cnc(NC(=O)CCn2ccc3cc(Br)ccc32)s1 13683526 DRYATQXGUDMBKC-UHFFFAOYSA-N 364.268 4.198 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)cc1 13695984 OKDISJNDZWBOPN-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB CC(C)(O)/C(=C\C=C\S(=O)(=O)c1ccccc1)Sc1ccccc1 13858101 YRFYHVQFGQGRFR-POIVUDMTSA-N 360.500 4.421 0 40 FIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCc1ccc(F)cc1 14063480 YAQBLGKYVVJGQO-UHFFFAOYSA-N 360.335 4.008 0 40 FIAB COc1ccc(Br)cc1CSc1nnc2n1CCCCC2 14124530 UHGACYWKJUBLGN-UHFFFAOYSA-N 368.300 4.068 0 40 FIAB COc1ccccc1NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl 16030245 VJLYNWMGRMSVON-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB Cc1cc(=O)n2c(n1)SC[C@H](Sc1ccccc1)[C@H]2c1ccccc1 16779223 HGXZWQHZFSDANB-PKOBYXMFSA-N 366.511 4.408 0 40 FIAB Cc1cc(-c2snnc2[C@H]2CCCN(Cc3ccc(F)cc3)C2)on1 19120772 GOOBZLIUBIRQTG-AWEZNQCLSA-N 358.442 4.020 0 40 FIAB O=C([C@H]1CCCO1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19336618 BREQBHAORUJQFT-ZWKOTPCHSA-N 358.413 4.103 0 40 FIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(Br)o1 20139793 SMHMMJXYZWQTHJ-UHFFFAOYSA-N 362.179 4.047 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCCC1 21522545 BEXATWVTWVWFEU-UHFFFAOYSA-N 372.877 4.321 0 40 FIAB O=C(CCn1ccc2ccccc21)Nc1nnc(Cc2ccccc2)s1 21565350 LWQUXFBUGGOHPS-UHFFFAOYSA-N 362.458 4.112 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NC[C@@H](c1ccco1)N1CCCCC1 22402689 NFFNPYRELCVPPG-MZEUMTGBSA-N 358.869 4.290 0 40 FIAB CN1CCN(c2ccccc2NC(=O)c2cc(Cl)sc2Cl)CC1 24595307 NTJFGBWEOMLQTJ-UHFFFAOYSA-N 370.305 4.059 0 40 FIAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)nc2O)cc1 24747972 HJBQUBKUZRUDBM-UHFFFAOYSA-N 359.838 4.199 0 40 FIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(-c3nc(C)no3)cc2)n1 25014407 YQCJXQDIGIVEAI-UHFFFAOYSA-N 373.416 4.100 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)Cc1c(C)nc2ccccc2c1C 27068878 PMLIXGGIRHQKIO-UHFFFAOYSA-N 360.457 4.382 0 40 FIAB COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662577 YGOKMHARIDVZIJ-GOSISDBHSA-N 358.507 4.104 0 40 FIAB CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)s1 32776824 ISPNZRMJTASJJE-LBPRGKRZSA-N 355.415 4.169 0 40 FIAB COc1ccc(OC)c(CN(C[C@H](O)c2ccccc2Cl)C2CC2)c1 40105740 WUQASJNMDLHWEI-IBGZPJMESA-N 361.869 4.055 0 40 FIAB COc1c(C)cc(C(=O)c2ccc(I)cc2)cc1C 43210143 VFCKCLASRQPCTF-UHFFFAOYSA-N 366.198 4.148 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 44901030 GVXYTUCTNBOJPU-LJQANCHMSA-N 363.413 4.042 0 40 FIAB O=C(CSCc1ccc(Cl)cc1Cl)NCCc1nccs1 50449879 FLKKLIIISTYNAE-UHFFFAOYSA-N 361.319 4.042 0 40 FIAB O=C(NCc1cccc(O)c1)N1CCC[C@H]1c1nc2ccccc2s1 57182040 IDCZKLPQVQUFTI-INIZCTEOSA-N 353.447 4.049 0 40 FIAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(Cl)ccc1Cl 58279035 MPUCAEBDPJJKHH-UHFFFAOYSA-N 359.159 4.482 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1)N1CCCC1 67288238 WBXFMSSBWJQLJO-UHFFFAOYSA-N 367.399 4.361 0 40 FIAB CC(C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 68741217 BGWYMXYVCQGRRV-UHFFFAOYSA-N 363.323 4.049 0 40 FIAB CCN(C(=O)Nc1ccc(C)c(Cl)c1)[C@H]1CCN(c2ccccc2)C1=O 72289068 LJVSOJFDURRUNI-SFHVURJKSA-N 371.868 4.308 0 40 FIAB Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)C4CCC4)cn3)ccc12 72403412 JVQPLMJLNWNVRA-UHFFFAOYSA-N 350.374 4.027 0 40 FIAB biogenic CCc1ccc(Cl)c(CC)c1NC(=O)COC(=O)c1csc(C)n1 83820633 CUINNIZBZNRBPQ-UHFFFAOYSA-N 366.870 4.025 0 40 FIAB COc1ncccc1CN1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 84633102 HXAJXOWNUMVAAR-KRWDZBQOSA-N 364.493 4.400 0 40 FIAB CC(C)(C)C(=O)N1CCOc2ccc(Nc3cnc4ccccc4n3)cc21 89621274 WGZSCWORAICBQN-UHFFFAOYSA-N 362.433 4.145 0 40 FIAB Cc1cc(C)c(C(=O)N2CCC[C@@H](c3n[nH]c(=S)n3C3CC3)C2)c(C)c1 90599598 FUJDCVHBHCVOTE-OAHLLOKOSA-N 370.522 4.221 0 40 FIAB CC(C)(C(=O)OCCOc1ccc(Cl)cc1Cl)c1cccnc1 95454625 DPBVOEXZKKLUHM-UHFFFAOYSA-N 354.233 4.288 0 40 FIAB CCOc1ccccc1NC(=O)CSc1nnc(C)c2ccccc12 95472002 OKSIBUCJFHXYAO-UHFFFAOYSA-N 353.447 4.068 0 40 FIAB Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](CCc1ccccc1)c1ccccc1)C2 96003960 SEKNSJVIKBTGTR-NHCUHLMSSA-N 373.500 4.313 0 40 FIAB Cc1nn(C(C)C)c(C)c1NC(=O)CCn1ncc2ccc(Cl)cc21 96181952 BKSFHQWRXWUQNQ-UHFFFAOYSA-N 359.861 4.113 0 40 FIAB CCc1ccccc1NC(=S)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 100423631 PBNXVLSZMCWJCQ-ROUUACIJSA-N 369.534 4.324 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCCNCCOC(=O)Nc1ccccc1)C2 100712506 LBEOWKDSFZCIPA-MDKPJZGXSA-N 360.498 4.056 0 40 FIAB C[C@H](NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1)[C@H]1C[C@H]2CC[C@H]1C2 102185657 COSPCVFARKWNSE-HIQGEDKISA-N 363.542 4.323 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCCC[C@@H]1CC 216210156 ZOILVCBJEPMWFW-FPOVZHCZSA-N 360.542 4.232 0 40 FIAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)ccc1O 222660477 SDASVQUPKJLZAI-ZMYBRWDISA-N 369.490 4.165 0 40 FIAB CCCSc1nnc(NC(=O)c2ccc(N3CCCCC3)cc2)s1 223101516 UZOUGCPMYORERQ-UHFFFAOYSA-N 362.524 4.283 0 40 FIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 224197796 HWVHDYQHJDMRJU-WOJBJXKFSA-N 362.502 4.214 0 40 FIAB COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1Cl 224851356 LUFDFRZUZYNGDO-UHFFFAOYSA-N 372.896 4.265 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCOCc2ccccc2)c1 225144098 YIPLVVIPMRWLPF-GOSISDBHSA-N 355.478 4.219 0 40 FIAB CC(C)Sc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 225185014 PIDZIKGIJPMYNK-UHFFFAOYSA-N 365.524 4.354 0 40 FIAB Fc1ccc(COc2ccc(CNC(=S)Nc3cccnc3)cc2)cc1 225535632 HBDBVUDSADVQRJ-UHFFFAOYSA-N 367.449 4.286 0 40 FIAB Cc1ccc(OCCCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 225578501 FVAUSRHVDQMRQS-UHFFFAOYSA-N 367.489 4.019 0 40 FIAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCCC1 225656074 WCTRPLNXUWKKRY-AWEZNQCLSA-N 369.889 4.432 0 40 FIAB O=C(Nc1ccccc1Br)c1snnc1-c1cccs1 225788194 BSTDYQYPSUPVIX-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1 226268227 QPOPPMBZIXQEBA-HNNXBMFYSA-N 353.466 4.299 0 40 FIAB CO[C@H](CNC(=O)NCc1ccc(Cl)cc1)c1cc2ccccc2o1 253473675 XBTOGEAMWNGEJF-GOSISDBHSA-N 358.825 4.273 0 40 FIAB CCc1noc(COc2ccc(Oc3ncncc3-c3ccccc3)cc2)n1 540347381 YOECHDSOWABMJW-UHFFFAOYSA-N 374.400 4.460 0 40 FIAB C[C@@H]1NCCO[C@H]1c1ccc(-c2ccc(OCc3ccccn3)cc2)cc1 629698551 XSQXFWJGFQKRRH-GAJHUEQPSA-N 360.457 4.377 0 40 FIAB O=C(Nc1nc([C@@H]2CCCN2Cc2cncs2)cs1)c1ccccc1 1615189400 MBZVOFXYFLIAKI-INIZCTEOSA-N 370.503 4.189 0 40 FIAB CC1(C)C[C@@H]2CN(Cc3ccc(F)cn3)CC[C@@H]2N1c1cccc(F)c1 2037988934 OCPGZEOOWGUEBQ-QRWLVFNGSA-N 357.448 4.239 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cccc(I)c2)c1 670276 HIQMWJFZHMRBJQ-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1C 858833 IJJDPEBFSAZQOB-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)c1cccs1)OCCO3 928349 IOTXXKMHWNGWQY-UHFFFAOYSA-N 357.456 4.351 0 40 FIAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(C)CC2)c1 1299050 KBXLRLYDJOUBFG-NRFANRHFSA-N 361.489 4.269 0 40 FIAB Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 1377656 DWZJFQZNAPEGLD-FGZHOGPDSA-N 366.480 4.450 0 40 FIAB CSc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1 2499971 BNTADEQEEBBNIU-CVEARBPZSA-N 357.870 4.195 0 40 FIAB CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 2503544 FPSRQVWNFJYAHE-DYVFJYSZSA-N 372.490 4.022 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](NCc1ccccc1)c1ccccc1 2630399 WSKDOGDEXYEIFY-JOCHJYFZSA-N 360.457 4.473 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)N3CCc4ccccc43)nc2c1 2634091 PTPSQFISXUPGPU-UHFFFAOYSA-N 364.470 4.233 0 40 FIAB CC[C@H](C)Sc1nnc(CSc2ncccn2)n1-c1ccccc1 2706066 MZZBYUUDYWQMKF-ZDUSSCGKSA-N 357.508 4.240 0 40 FIAB CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 3084366 NWNMPMQPZLXVFH-FRKPEAEDSA-N 363.747 4.361 0 40 FIAB Cc1ccc(N2C(=O)c3ccc(N4Cc5ccccc5C4)cc3C2=O)cc1 3097705 MFHMJGOSNNNKOM-UHFFFAOYSA-N 354.409 4.316 0 40 FIAB CCc1ccc(C(=O)Oc2ccc(I)cc2)cc1 3160450 NOJLRHSPDSJFHB-UHFFFAOYSA-N 352.171 4.073 0 40 FIAB CCOc1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1 3255253 CGAOBRAYWQXINI-UHFFFAOYSA-N 360.460 4.358 0 40 FIAB O=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)c(Cl)c1 3278399 GQQXHVRWNKBTQE-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)oc2ccccc12 3437551 CRJREEDBNNUXJR-KRWDZBQOSA-N 352.434 4.291 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)[nH]c2c1 3493577 ITMMGFPREVDUEO-UHFFFAOYSA-N 361.854 4.264 0 40 FIAB Cc1ccc(CNC(=O)CSc2ccc(Br)cc2C)cc1 3569947 QTBCCFZEWVUGPX-UHFFFAOYSA-N 364.308 4.474 0 40 FIAB Cc1ccc(NC(=O)C[C@H](C)n2nc(C)c(Br)c2C)cc1 4666998 ORVLSECWBZTSKO-NSHDSACASA-N 350.260 4.161 0 40 FIAB O=c1c(N2CCN(c3cccc(Cl)c3)CC2)csc2ccc(F)cc12 5088006 ZITWIINPMRZABD-UHFFFAOYSA-N 374.868 4.381 0 40 FIAB Cc1ccc(C)c(C(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c1 5319163 SMXZMRKCKFHQIR-ZDUSSCGKSA-N 366.486 4.083 0 40 FIAB O=C(CSCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccccc1 5556665 MROWSLGGXFMLNR-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1F 5884170 TXPNHODIBCORCR-UHFFFAOYSA-N 369.723 4.179 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1 5980788 AODZIDSOVKSIAG-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB CCc1ccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 5985154 OENJCLSJPHFQJE-UHFFFAOYSA-N 373.566 4.107 0 40 FIAB CSc1nsc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 6467665 PKHIFSIJTYCFHR-UHFFFAOYSA-N 366.320 4.298 0 40 FIAB COCCNc1nnc(SCc2cnc(-c3ccccc3)s2)s1 6841009 UKRCAAIOLKLBPM-UHFFFAOYSA-N 364.521 4.012 0 40 FIAB COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)oc12 6868019 HKUUIFPPBGRJAZ-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)Oc2ccccc2Br)c1 6948928 UITKGOXLUSJFRS-JXMROGBWSA-N 363.207 4.085 0 40 FIAB CC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 6981612 QSSSKLUWEXAWRC-UHFFFAOYSA-N 364.489 4.149 0 40 FIAB S=C(Nc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1 7093797 ONXMLUSJTBGONK-UHFFFAOYSA-N 362.454 4.491 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 7928213 BSYSBTWOJCQOQG-LJQANCHMSA-N 364.489 4.420 0 40 FIAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2cccs2)n(-c2ccccc2)n1 8324732 OWQHBYQNFBOIPZ-QGZVFWFLSA-N 366.490 4.018 0 40 FIAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc2ccccc2c1 8327193 YWJMKKAAKXSVGH-ZDUSSCGKSA-N 367.478 4.061 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(Cl)c(Cl)c2)C1 8699253 YAFUFMBNEFTUBN-WDEREUQCSA-N 360.237 4.029 0 40 FIAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1 9665681 BUUAIFJLSMQODE-UHFFFAOYSA-N 366.490 4.010 0 40 FIAB COc1ccc(SCC(=O)Nc2nc3c(s2)Cc2ccccc2-3)cc1 10022850 ZXTJGADOMBVFQL-UHFFFAOYSA-N 368.483 4.454 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@H]1c1ccccc1 10310966 FRFMQVKFQXYFMI-SFHVURJKSA-N 358.869 4.433 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 10464544 RSLYKLLENYOZHF-UHFFFAOYSA-N 352.434 4.130 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 10545002 GKHIWEWWSJWYBK-QGZVFWFLSA-N 363.461 4.370 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1nc(N2CCCC2)ncc1Cl 11692388 NZUOQJDSBYSSFJ-UHFFFAOYSA-N 370.762 4.001 0 40 FIAB CCN(CC)c1ccc(-c2nnc(SCc3csc(C)n3)n2C)cc1 12542919 GFCZMFYXLPSGSZ-UHFFFAOYSA-N 373.551 4.386 0 40 FIAB CC(=O)N[C@@H](CC(=O)Nc1ccc(SC(F)F)cc1)c1cccs1 12616604 ZGGFIIILPPAVGZ-ZDUSSCGKSA-N 370.446 4.269 0 40 FIAB Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c2ccccc2n1 12899936 VJTKGSBPTXATDE-FQEVSTJZSA-N 363.461 4.093 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1ccccc1 13038714 IPUQMDURKKONSI-ZDUSSCGKSA-N 351.277 4.303 0 40 FIAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1F 13479882 PFTMXTZAOHMQQT-UHFFFAOYSA-N 352.409 4.028 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)COc2c(C)cc(C)cc2C)cc1 15567171 SPENUSRBEVQWIJ-HXUWFJFHSA-N 353.462 4.363 0 40 FIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(Cl)c1F 15609857 LIINBIRKEYOUPL-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@H](CC(CC(=O)NC5=NCCS5)(C4)C2)C3)cc1 16805052 YEWJWJQVKNAHTJ-RGMRCXJASA-N 368.546 4.442 0 40 FIAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1cccc(Cl)c1 17288182 FCIIZCLAVJWRLK-UHFFFAOYSA-N 363.852 4.495 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)[C@@H]2CCCO2)n1 19691466 ZFYRLCXPJIOJPQ-PMACEKPBSA-N 354.425 4.039 0 40 FIAB Cn1cc(CNc2cc(-c3cnsc3-c3cccc(F)c3)ccn2)cn1 19697166 YNTKMPRFPHCDQT-UHFFFAOYSA-N 365.437 4.357 0 40 FIAB COc1ccc([C@@H]2SCC(=O)N2c2nc3ccc(OC)cc3s2)cc1 19802082 GSGJTYHIKACSLW-KRWDZBQOSA-N 372.471 4.092 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1Cl 21901723 PFRXSSHKDMGHGV-UHFFFAOYSA-N 356.853 4.358 0 40 FIAB Cc1ccc(CCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 24706768 KCFUDXUOLWALJJ-UHFFFAOYSA-N 366.442 4.419 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)Cc1ccc(F)cc1 28574573 DNZBUGYMHGCKQE-UHFFFAOYSA-N 355.388 4.008 0 40 FIAB Cc1cccc(-n2nnnc2SCc2csc(-c3ccc(C)o3)n2)c1 32325592 LRALPPBFCGHNHX-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB COc1ccc(OC)c(NC(=O)CN(C)[C@@H](C)c2cc3ccccc3o2)c1 32754447 DNCJDPGYRHANTF-AWEZNQCLSA-N 368.433 4.082 0 40 FIAB Cc1cc(OCCCC(=O)Nc2ccc(-c3nnco3)cc2)ccc1Cl 32760973 TYYJRVWMZBOPJL-UHFFFAOYSA-N 371.824 4.496 0 40 FIAB CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 33916316 SHAMJGIPCYYDBM-UHFFFAOYSA-N 370.268 4.037 0 40 FIAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3cccc(-n4cccn4)c3)c2c1 35316553 GROTVLRKZISLHT-UHFFFAOYSA-N 358.445 4.460 0 40 FIAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 35442772 CLIJCVAPWXFAEX-BQFCYCMXSA-N 371.437 4.034 0 40 FIAB biogenic,in-vitro CC(C)n1ccc(-c2nnc(NC(=O)c3cc(Cl)sc3Cl)o2)n1 38499279 CHNMVUNQFXBDPV-UHFFFAOYSA-N 372.237 4.135 0 40 FIAB Fc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(F)c1 40086366 QJDKCNZDYQPFSJ-HXUWFJFHSA-N 353.416 4.377 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCc2ccc(-n3cccn3)cc2)c1 40105353 VPCKTEGGOBWXPT-UHFFFAOYSA-N 357.866 4.178 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)c2ccc(-c3cnco3)cc2)c1 40150793 XLFUCIJLUXOQAX-UHFFFAOYSA-N 352.390 4.391 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(CN2CCCC2)cc1 44872878 KIYSJUDWXDEWFR-OAQYLSRUSA-N 366.505 4.065 0 40 FIAB COc1ccc2cc(CNC(=O)c3c(C)nn(C(C)(C)C)c3C)ccc2c1 46914584 YKMLINAQWXZCMK-UHFFFAOYSA-N 365.477 4.347 0 40 FIAB O=C(CCc1ccccc1O)N1CCC[C@H]1c1cccc(Br)c1 48369162 LITOPFRXLGWNTD-KRWDZBQOSA-N 374.278 4.451 0 40 FIAB O=C(NCc1ccccc1)N1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 49168651 WVJMUYFNTAXWAS-AWEZNQCLSA-N 355.825 4.180 0 40 FIAB biogenic,in-vitro Cc1cc2nnc(SC[C@H](O)c3cc(F)ccc3F)n2c2ccccc12 51227038 RMOLIOVAIXEJMX-KRWDZBQOSA-N 371.412 4.295 0 40 FIAB O=C(Cc1cccc2cccnc12)Nc1ccc2c(c1)OC1(CCCC1)O2 54519995 VUSTWRLYQRTTIE-UHFFFAOYSA-N 360.413 4.458 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)CCc1c(C)noc1C)c1nc2ccccc2[nH]1 54635667 LFLHPLQNTARSHE-BLVKFPJESA-N 354.454 4.004 0 40 FIAB O=C(c1cnc2ccccc2n1)N(Cc1ccccn1)c1ccc(F)cc1 70006999 RLVPFDQJFPYJFE-UHFFFAOYSA-N 358.376 4.011 0 40 FIAB Fc1cc(Cl)ccc1-c1nnc2sc(C(F)(F)C(F)(F)F)nn12 71282386 WFXPBBLYWSNQLF-UHFFFAOYSA-N 372.681 4.299 0 40 FIAB CCOc1cc(C(=O)NCc2ccccc2F)nc2c(C)cc(F)cc12 72331822 HJBWCUWIQLBSES-UHFFFAOYSA-N 356.372 4.150 0 40 FIAB O=C(NCCc1nc2ccccc2n1C(F)F)c1ccc2c(c1)CCCC2 75612123 XQTNFFJXSIXBGY-UHFFFAOYSA-N 369.415 4.283 0 40 FIAB FC(F)(F)c1cccc(CN2CC(c3nc(Cc4ccccc4)no3)C2)c1 77190749 KDJSCIYUSAQRAO-UHFFFAOYSA-N 373.378 4.279 0 40 FIAB CCCCc1nc2cc(NC(=O)[C@H](C)Cc3c(C)nn(C)c3C)ccc2[nH]1 78877048 QHWWMLVDNUABCT-CYBMUJFWSA-N 367.497 4.073 0 40 FIAB CC[C@H](C)n1ncc(C(=O)NCCc2csc(C(C)C)n2)c1C1CC1 89811771 CTLWWJYWZOCNAI-ZDUSSCGKSA-N 360.527 4.284 0 40 FIAB CN(Cc1ccc(F)cc1)C(=O)CNc1ccc(OC(F)F)c(Cl)c1 97601282 HRMVFHNNYJPOLI-UHFFFAOYSA-N 372.774 4.151 0 40 FIAB O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CCc2cc(Cl)ccc21 98024632 FRGYQNQHVXYYND-SECBINFHSA-N 362.764 4.019 0 40 FIAB COc1c(C)cccc1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100763745 GMYNYNIVJRHIRL-WOJBJXKFSA-N 355.453 4.157 0 40 FIAB COc1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c(C)n1 124587161 KOCJFZVJHQQEHM-UHFFFAOYSA-N 364.449 4.291 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c(C)c1 219529068 DSRFELLFRBURDP-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCC1 222734975 WPEQRLXQNGFART-MOPGFXCFSA-N 354.523 4.217 0 40 FIAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 222756350 TZOCOGFAVOTUIB-MSOLQXFVSA-N 367.499 4.428 0 40 FIAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Cc1cccs1 223330370 OSBOQSXPVDGIJJ-UHFFFAOYSA-N 369.490 4.297 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224642346 RCUIWUURKVERHC-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 224795118 IXCTVOFFHTYEEB-KRWDZBQOSA-N 367.489 4.436 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)cc1C 225107443 YUXTUMGSEBOBPM-GFCCVEGCSA-N 351.497 4.061 0 40 FIAB Cc1ccccc1-c1noc(CN(C)C(=O)c2ccc3c(c2)CCCC3)n1 225635885 BWTAQSOUYXNUSN-UHFFFAOYSA-N 361.445 4.196 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 260841100 JICMJDSKRPXHJL-UTKZUKDTSA-N 368.496 4.478 0 40 FIAB S=C(NC[C@@H]1CCCO1)c1cccc(OCc2ccc(Cl)cc2)c1 408575242 NIVNLCOHNFTUAH-SFHVURJKSA-N 361.894 4.363 0 40 FIAB CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409079119 JXZAORCQXMXANB-RGEXLXHISA-N 364.445 4.464 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H](C)C1 525121533 RJBMBOUYBNFHAH-AOIWGVFYSA-N 352.478 4.148 0 40 FIAB CCN(Cc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCOC(C)(C)C1 585084884 ZXVMCDDVYOWCBI-GOSISDBHSA-N 353.510 4.141 0 40 FIAB O=C(c1ncnc2ccsc12)N1CCC(c2cccc(Cl)c2)CC1 614287570 TWRJGTKKNPMRSK-UHFFFAOYSA-N 357.866 4.365 0 40 FIAB CC(C)Oc1ccc(NC(=O)N(C)CC2=CCCOC2)c(C(F)(F)F)c1 685938999 CCRLTOFBFOBLLN-UHFFFAOYSA-N 372.387 4.303 0 40 FIAB Cc1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1F 627866 NZOCEDULXQMZMT-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB CCc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 937578 GFGPQIUIOLNPDD-SFHVURJKSA-N 366.442 4.151 0 40 FIAB CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)SC1=S 1063454 VPGVYDJWELGNKC-VOFKWTQNSA-N 368.936 4.487 0 40 FIAB O=C(Cn1c(C(=O)NCc2ccco2)cc2sccc21)c1ccccc1 1324404 DDODMSNMNRNGFM-UHFFFAOYSA-N 364.426 4.109 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O[C@H]3CCCCC3=O)cc12 2664790 ZIMYDNGGQAWRQX-INIZCTEOSA-N 372.421 4.203 0 40 FIAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1 3226716 ZVNSJFQAGZCZAL-OXQOHEQNSA-N 366.461 4.371 0 40 FIAB CCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1Cl 3239137 YFAXFRNITDKBND-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 3421363 AIOUGABJJZEUJB-UHFFFAOYSA-N 365.260 4.023 0 40 FIAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)CSC3)cc1 4077227 SNCPJJXLIHZQSM-UHFFFAOYSA-N 369.421 4.019 0 40 FIAB Brc1ccccc1C1=Nn2c(nnc2-c2ccccc2)SC1 4295287 SEPWOCPWTJFXTI-UHFFFAOYSA-N 371.263 4.066 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(C)C)CC2=O)cc1 5477286 CNXKFGPQDGBKKK-QGZVFWFLSA-N 350.462 4.364 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](Sc1nccn1C)c1ccccc1 6369250 JLKCLQRMSLFSLP-GOSISDBHSA-N 367.474 4.291 0 40 FIAB O=c1c2ccsc2nc(SC[C@H]2CCCCO2)n1-c1ccccc1 6907109 PWZDFXXYENRQGW-CQSZACIVSA-N 358.488 4.108 0 40 FIAB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@H]21 6960438 JJVSDGQJSRAAMX-MDOVXXIYSA-N 363.413 4.306 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCC[C@H]1c1cccs1 7363086 XDNKXGJTHHTKGY-HNNXBMFYSA-N 371.531 4.153 0 40 FIAB Cc1ccc(/C=C(/Sc2nc3ccccc3o2)C(=O)O)cc1[N+](=O)[O-] 7603153 MSXLSQSQWZKMKC-OQLLNIDSSA-N 356.359 4.262 0 40 FIAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c1 7882561 CUZJXUOSMSHEBA-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB c1csc(-c2nnc(SCc3ccc4c(c3)OCO4)n2C2CC2)c1 8129247 WHTJYAGNKQGGTE-UHFFFAOYSA-N 357.460 4.363 0 40 FIAB CCC[C@H](NC(=O)[C@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 8539077 MCCGKMLZBIBKLI-RDJZCZTQSA-N 372.538 4.143 0 40 FIAB CCn1c(SCC(=O)c2ccccc2F)nnc1-c1cccc(OC)c1 8940933 XMJIIJFXXUNQBW-UHFFFAOYSA-N 371.437 4.088 0 40 FIAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 9137715 KFMRFOHDROBCRT-UHFFFAOYSA-N 358.388 4.152 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccccc3SC)cc2C)CC1 9368800 ZAAMDQKVIPHMNG-UHFFFAOYSA-N 369.534 4.111 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1)c1cccs1 11517591 YYNSLGODXUHIPS-BEFAXECRSA-N 372.534 4.391 0 40 FIAB COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C(C)(C)C 11566444 FRWWSUPDICHHCU-UHFFFAOYSA-N 372.490 4.196 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1 11636869 FGPUDGIIHGWZAI-INIZCTEOSA-N 364.239 4.254 0 40 FIAB Cc1nc2c(C)cccc2cc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 12193051 OACDONIMZBPLBP-UHFFFAOYSA-N 374.419 4.488 0 40 FIAB CCn1cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc21 12545793 PASMZQFCLBMGLH-UHFFFAOYSA-N 361.445 4.349 0 40 FIAB O=C(Nc1ccccc1C(=O)Nc1nc2ccccc2[nH]1)c1cccs1 12601148 DZFSYZTUWITLFK-UHFFFAOYSA-N 362.414 4.129 0 40 FIAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCC[C@@H]1c1cccnc1 12643223 YFVXLBDTYKMTPT-DOJUMQAQSA-N 363.490 4.301 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)c2ccccc2)CC1 12908035 QPXYNAGPOVZTKY-HNNXBMFYSA-N 371.864 4.229 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1C(C)C 13995600 WCKBHEJOKQEJTQ-UHFFFAOYSA-N 372.416 4.171 0 40 FIAB CSc1ccc(CN(C)C(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 14378908 MEINNFKJYZKKAU-UHFFFAOYSA-N 374.531 4.399 0 40 FIAB CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 14464019 BTPSUWZNBIHOPI-GOSISDBHSA-N 373.408 4.001 0 40 FIAB COc1ccc(CN(C(=O)c2ccc(Br)s2)C2CC2)cc1 15034645 WYTXUHOGERRLHT-UHFFFAOYSA-N 366.280 4.324 0 40 FIAB CCN(C(=O)CN(C)Cc1cccc(OC)c1)c1cccc2ccccc12 15294475 NVCMIONPNHLFFB-UHFFFAOYSA-N 362.473 4.333 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)c1 17957991 TZLGYBDNCRNDMZ-CYBMUJFWSA-N 353.447 4.193 0 40 FIAB CC(C)c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c2ccccc2n1 19295373 IJPRKEVJMFXTHI-UHFFFAOYSA-N 368.458 4.014 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Sc1ccc(OC)cc1)c1ccc(OC)cc1 20039601 JAOILKCPRWIGME-IFXJQAMLSA-N 359.491 4.452 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1nnc(-c2ccc(C(C)C)cc2)o1 20495970 LNIJHDBSXNYAOH-UHFFFAOYSA-N 367.405 4.130 0 40 FIAB COc1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 20578895 UDTZACOAMNJZGX-UHFFFAOYSA-N 372.428 4.298 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3c(C)cccc3C)n2)s1 21806038 PBUHANLYOAYIGP-UHFFFAOYSA-N 359.476 4.209 0 40 FIAB O=C(Nc1nc(CN2CCCCC2)cs1)C12CC3CC(CC(C3)C1)C2 22289148 KZVADKGDXCTDSM-UHFFFAOYSA-N 359.539 4.284 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)Sc1nccn1-c1ccccc1 25969417 NYQHNURDHUJBJV-HNNXBMFYSA-N 367.474 4.390 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)Nc1cc(-c2ccc(Cl)cc2)no1 27662959 HKZDXRVAQQKDFV-LBPRGKRZSA-N 372.808 4.410 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)n1nc(C(F)(F)F)cc1C)c1ccc(C)cc1 28236686 RDBRUBDNMDIPKP-DZGCQCFKSA-N 353.388 4.347 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1 31713595 PIMISPZZTNGARQ-GFCCVEGCSA-N 369.339 4.393 0 40 FIAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)c1cccs1 32610411 NHDCGOGBXHIJKA-UHFFFAOYSA-N 351.790 4.026 0 40 FIAB CCc1noc(C)c1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32727070 LCCRMTJKIMLXPM-UHFFFAOYSA-N 353.349 4.135 0 40 FIAB NC(=O)c1cc(NC(=O)c2cc3c(ccc4ccccc43)[nH]2)ccc1Cl 33009831 ZUSGECPDFKRWLH-UHFFFAOYSA-N 363.804 4.326 0 40 FIAB O=C(c1cc(Br)ccc1Cl)N1CCOc2ccccc21 33167904 NUAHUGJBUJAUGG-UHFFFAOYSA-N 352.615 4.142 0 40 FIAB COc1ccc(NC(=S)N2CCC(n3cnc4ccccc43)CC2)cc1 35291819 AXPRRSQTPCBWEN-UHFFFAOYSA-N 366.490 4.079 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 39351824 MTSLFKWJINJVBO-REGVOWLASA-N 358.478 4.019 0 40 FIAB in-vitro Cc1cccc(-c2nc(CN(Cc3cccs3)C[C@H]3CCCO3)no2)c1 48060975 SMTVSUVCYKTQGL-QGZVFWFLSA-N 369.490 4.288 0 40 FIAB COc1cc2c(cc1NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)oc1ccccc12 48332595 GOGKFFXWRFDUQT-HOCLYGCPSA-N 361.401 4.070 0 40 FIAB COC(=O)c1ccoc1CSc1ccccc1C(=O)Nc1cccnc1 55111601 WHCPXSLAXHYTQS-UHFFFAOYSA-N 368.414 4.006 0 40 FIAB CC(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C2(C)C)no1 67889998 ASYBWVJRIWUYPU-BEFAXECRSA-N 358.457 4.399 0 40 FIAB biogenic,in-vitro O=C1Nc2ccccc2S[C@@H]1CC(=O)N(CC1CC1)C1CCCCC1 68159240 MVORAYXDHLYJJE-GOSISDBHSA-N 358.507 4.061 0 40 FIAB CCOc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1OCC 72331519 NALNJECYIJRHHT-UHFFFAOYSA-N 367.367 4.433 0 40 FIAB Cc1ccccc1CN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 72376015 BHRMZRRWBZAQCX-IBGZPJMESA-N 359.477 4.303 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1C(F)(F)F 194026266 UPFRSHCHEHSOMG-UHFFFAOYSA-N 351.324 4.048 0 40 FIAB CCOc1ccccc1CNc1ncc(-c2ccccc2)n1CCOC 199420836 FTHABROEKWDSCS-UHFFFAOYSA-N 351.450 4.207 0 40 FIAB COc1cccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)c1 224020262 HFOQVQMCKQOANE-UHFFFAOYSA-N 361.397 4.403 0 40 FIAB CCOC(=O)c1cc(NC(=O)Cc2ccc(Cl)cc2F)ccc1Cl 225419095 URIZSBSMNVZYAH-UHFFFAOYSA-N 370.207 4.490 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H]2CCCc3ccccc32)c1 225460767 QPBJEYXMUAFLTE-MRXNPFEDSA-N 374.893 4.491 0 40 FIAB Cc1ccc(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 225556316 XNBLAJKGKFCYFL-UHFFFAOYSA-N 369.852 4.256 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)cc1C 225707608 PNVYWIFYCGUWRJ-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB Cc1c(C)n(CCC(=O)N2CC[C@]3(C)NCCCCC[C@H]23)c2ccccc12 257207186 BGRXWPPIAKGRFE-GMAHTHKFSA-N 367.537 4.171 0 40 FIAB Cn1c2c(n3cc(-c4ccc(F)cc4)nc13)CN(Cc1ccsc1)CC2 306143786 YMEIZAXAVILHFF-UHFFFAOYSA-N 366.465 4.099 0 40 FIAB COc1cccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 408623158 DIWCISAVDGXGKJ-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3cc(F)ccc3C)c(=S)o2)cc1 409169909 RTCNNKFJLZOQBX-UHFFFAOYSA-N 357.410 4.267 0 40 FIAB CCn1nc(C)c(CC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1C 582098806 RLUZUKPIEYOOPN-UHFFFAOYSA-N 373.460 4.016 0 40 FIAB Cn1cc([C@H]2CN(C(=O)CCC3CCCCC3)Cc3ccccc32)cn1 585408841 MPTBAGYCHFCHLR-OAQYLSRUSA-N 351.494 4.255 0 40 FIAB C[C@H](C(=O)Nc1cccc(SC(F)F)c1)n1ccc(C(F)(F)F)n1 1520569741 KKRWUXOKQDTZCH-MRVPVSSYSA-N 365.327 4.416 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1nc2ccccc2s1 1775966839 FQALHHBWOBINGQ-LBPRGKRZSA-N 370.455 4.081 0 40 FIAB COc1ccc(-c2csc(N(C)C(=O)COc3ccc(C)cc3)n2)cc1 929069 RRFRSDYQLWCUQS-UHFFFAOYSA-N 368.458 4.169 0 40 FIAB C[C@H]1CCc2c(sc3ncn([C@H](C)C(=O)OC4CCCCC4)c(=O)c23)C1 949480 KRHJXDLPNAMSCS-QWHCGFSZSA-N 374.506 4.020 0 40 FIAB COc1cccc2c1OCC(C(=O)Nc1ccc(Cl)cc1Cl)=C2 1391453 BBENHWDGQNOFKV-UHFFFAOYSA-N 350.201 4.417 0 40 FIAB Cc1cccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)c1 2246358 QIPZQDRODQMIGI-UHFFFAOYSA-N 374.444 4.420 0 40 FIAB Cc1cc(C)cc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1 2725265 NQNZXLVIWDQNAU-UHFFFAOYSA-N 352.312 4.112 0 40 FIAB Cc1ccccc1-n1c(SCC(=O)C(C)(C)C)nnc1-c1cccnc1 3240566 BFVGKIIWHFSCFE-UHFFFAOYSA-N 366.490 4.345 0 40 FIAB CC(C)(C)NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3318117 RPGQMDGJAVYEGG-UHFFFAOYSA-N 374.487 4.096 0 40 FIAB COc1ccc(N2CCc3c(C)nc4c(OC)cccc4c32)c(OC)c1 4051004 DEFRGXHLQQICSY-UHFFFAOYSA-N 350.418 4.263 0 40 FIAB CC(C)(C)c1nnc(NC(=O)COc2cc(Cl)cc(Cl)c2)s1 4106636 XJMASIDXGDRFMT-UHFFFAOYSA-N 360.266 4.160 0 40 FIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C 4667187 ORNOGRXMYMWAIP-LLVKDONJSA-N 356.274 4.442 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)C1CCCCC1 5136216 FLSLSHGPCPKCJQ-UHFFFAOYSA-N 352.434 4.391 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1 5346847 HLWWQVHDAWBNOU-UHFFFAOYSA-N 367.449 4.284 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1N1CCCC1=O 5440672 SDFTVPMLLRMRBA-UHFFFAOYSA-N 362.351 4.393 0 40 FIAB COc1ccc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 6152213 KSDRYGQUHLAFSA-UHFFFAOYSA-N 366.417 4.060 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 6573311 AYAOTOWMGMMNEC-UHFFFAOYSA-N 367.518 4.358 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 6880016 OUJPFISTNMGEOR-HNNXBMFYSA-N 356.491 4.254 0 40 FIAB O=C(Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCc1ccccc1 8103017 SUDHQDDZJRVMJR-UHFFFAOYSA-N 366.530 4.470 0 40 FIAB CCOCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 8253203 FTBZGSJZSGRTOT-UHFFFAOYSA-N 363.885 4.444 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1 8533252 BAZBLGCIIRXGGB-OAHLLOKOSA-N 360.885 4.424 0 40 FIAB C[C@@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NC1CCCCC1 8993871 QDPJRZCLSDTQKO-LLVKDONJSA-N 364.902 4.055 0 40 FIAB CSc1ncc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)n1-c1ccccc1 9367203 ODKZDALKIFJDGT-CVEARBPZSA-N 355.507 4.247 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1c1ncnc2ccccc12 11247360 QRCNGOUSNHAZFW-QGZVFWFLSA-N 370.815 4.030 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1)c1cccs1 11517617 YYNSLGODXUHIPS-HNAYVOBHSA-N 372.534 4.391 0 40 FIAB CCC[C@@H](O)c1nc2ccccc2n1CCCOc1ccc(OC)cc1 11692514 JRECPJXVEZWCFY-HXUWFJFHSA-N 354.450 4.348 0 40 FIAB COc1cc(NC(=O)Cc2csc(-c3ccccc3F)n2)cc(OC)c1 11867520 YARVJYKZZOYRPB-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CC(=O)N1c2ccc(NC(=O)c3ccc4c(C)c(C)[nH]c4c3)cc2C[C@@H]1C 12204527 UJVRYWXDXIVBGG-LBPRGKRZSA-N 361.445 4.335 0 40 FIAB Cc1c(CN2CCC(O)(c3ccccc3F)CC2)[nH]c2ccc(F)cc12 12363497 BTABGGNSBXNGFW-UHFFFAOYSA-N 356.416 4.238 0 40 FIAB C[C@@H]1CN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@@H](C)O1 12807514 HHDDNLWOSWAREP-VXGBXAGGSA-N 356.413 4.438 0 40 FIAB Cc1oc(-c2ccccc2)nc1CSCC(=O)NCc1ccc(F)cc1 12919491 WHNUEFKGTPSGRS-UHFFFAOYSA-N 370.449 4.339 0 40 FIAB COc1ccc(Br)cc1COc1ccc(C(C)=O)cc1OC 14318156 RHRHQOIYFXKNKJ-UHFFFAOYSA-N 365.223 4.248 0 40 FIAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 15640426 KZNKCKQZHHHUPT-UHFFFAOYSA-N 361.323 4.152 0 40 FIAB Cc1sc2c(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)nc(C)n2c1C 19561780 CFKGMBWSYVLXDW-KRWDZBQOSA-N 357.523 4.383 0 40 FIAB COc1cccc(CNC[C@@](O)(c2ccccc2)c2ccc(Cl)cc2)c1 20219119 CUBPAPUSVWSTSY-JOCHJYFZSA-N 367.876 4.374 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccc(C)s3)ns2)c1 21806047 XOKJRVBWOYAMTP-UHFFFAOYSA-N 359.476 4.209 0 40 FIAB O=c1c(I)c(-c2ccsc2)oc2ccccc12 21997129 GPFXFGIZWQGFOK-UHFFFAOYSA-N 354.168 4.126 0 40 FIAB CC(=O)Nc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 24030740 QFZSHVASXYKMAI-UHFFFAOYSA-N 360.816 4.242 0 40 FIAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(F)cc1F 24560209 IYOUDXDNDHADSN-IBGZPJMESA-N 367.399 4.017 0 40 FIAB O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CCCCCC1 24958584 QEJARYBWGUGVQC-UHFFFAOYSA-N 355.457 4.432 0 40 FIAB O=c1oc2ccccc2n1CCSc1nccn1-c1ccc(Cl)cc1 26042545 YCPWHMQXPSKTJG-UHFFFAOYSA-N 371.849 4.226 0 40 FIAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(OC)c(C)c1 27664660 QEPGBBJWFSQCPL-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(OC2CCCC2)cc1 29285098 HLCDYJARTFDQOX-UHFFFAOYSA-N 357.357 4.131 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCc1cccc(OC)c1 30758776 SWFILTCODLIATD-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 31710698 DOGJHALCCMTBIH-NVXWUHKLSA-N 368.477 4.238 0 40 FIAB CCCc1nnc(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)s1 31807345 PXBMXGCULANREY-UHFFFAOYSA-N 369.475 4.143 0 40 FIAB COc1ccc(C(=O)Nc2nc(C)c(-c3ccccc3)s2)cc1OC 31968356 XDCCULLVCBTONM-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COc1cccc(-c2nc(CC(=O)Nc3ccc4[nH]ccc4c3)cs2)c1 32070220 OCQVLXHHGDELOU-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB CCCc1ccccc1NS(=O)(=O)c1cccc(Br)c1 32098434 ZTGNMUQUJRBKKY-UHFFFAOYSA-N 354.269 4.202 0 40 FIAB C/C=C/C=C/C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 32906621 VVDYPKZYFHFHPR-KHVHPYDTSA-N 374.484 4.225 0 40 FIAB Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38848760 VXWVXZODTYMPHI-IBGZPJMESA-N 356.897 4.177 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)c(C(N)=O)c1 44806506 HHPXTKBAABHULE-QWHCGFSZSA-N 373.884 4.392 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccnc1N1CCCC1 47225908 CVKFXRRPXPLDQS-UHFFFAOYSA-N 370.503 4.048 0 40 FIAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc3ccccc3s2)CC1 47554942 XYHWCTFWTVRBIO-UHFFFAOYSA-N 360.479 4.031 0 40 FIAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC(Nc2ccccc2)CC1 50174075 VNUXURXMEQUFPH-UHFFFAOYSA-N 366.509 4.232 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Oc1ccc(NC(=O)c2ccco2)cc1 51035726 WUMXVNSMQZHTDG-UHFFFAOYSA-N 373.767 4.473 0 40 FIAB CCc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364430 VEGQUJJOSDYZCE-IBGZPJMESA-N 358.441 4.408 0 40 FIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccc1OC)CO3 57322426 KUCYOSSRCNMTPN-UHFFFAOYSA-N 365.429 4.025 0 40 FIAB O=C(NC[C@@H](O)c1ccccc1)c1ccc(-c2nc3ccccc3s2)o1 65517910 UFSJTKRIFYPVEI-OAHLLOKOSA-N 364.426 4.020 0 40 FIAB CSc1ccc(CN2Cc3ccccc3C[C@H]2c2nnc(C)o2)cc1 69414956 HCQRBXDYVKTERK-IBGZPJMESA-N 351.475 4.400 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(-c2cccs2)[nH]c1=O)c1ccccc1 69518631 PICNYVMZYCSASB-SFHVURJKSA-N 352.459 4.231 0 40 FIAB CC[C@@](C)(NC(=O)Cc1csc(Cc2ccccc2)n1)C(F)(F)F 72298242 CGYIYSDUWZKWIX-MRXNPFEDSA-N 356.413 4.124 0 40 FIAB Cc1nc(C)c(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)o1 73099299 OVXHVSDSZJYKLP-AWEZNQCLSA-N 353.447 4.273 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCC(COCc2ccc(F)cc2)CC1 75156564 HRZNNIMZNDRRAT-DHZHZOJOSA-N 353.437 4.294 0 40 FIAB CCN(C(=O)COC(=O)c1csc2c1CC[C@H](C)C2)c1ccccc1C 89977057 COBHUQLFBIRCFF-AWEZNQCLSA-N 371.502 4.391 0 40 FIAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cccnc1 96358255 XSJGERMNHSTKMG-UHFFFAOYSA-N 362.414 4.036 0 40 FIAB CCOc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 105118654 UQHQGFVDIODDAP-UKTARXLSSA-N 353.409 4.241 0 40 FIAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 107350024 KUQSARIONLCSRO-QAETUUGQSA-N 366.461 4.066 0 40 FIAB CC(=O)N(c1nc(CN(C)[C@@H](C)c2cc(F)ccc2F)cs1)C1CC1 114714956 FUPAQZODVSVXHE-NSHDSACASA-N 365.449 4.130 0 40 FIAB CC1=C(C)[C@@H](NCc2cccs2)N([C@@H]2CCCc3ccccc32)C1=O 199411092 OWDVFDLAYYHLOV-UXHICEINSA-N 352.503 4.420 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)cc1)CC(C)(C)O2 218973415 ONOPFGVITQDURP-BEFAXECRSA-N 369.461 4.190 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219685422 NFEKXNDFHSPOHR-ZIAGYGMSSA-N 362.267 4.402 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1cc(C)ccc1C 222795097 ZKICDRAUMHEVCF-CYBMUJFWSA-N 353.871 4.005 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1ccccc1C)c1ccc2c(c1)CCCC2 223076223 ZEBKYDBFRZMELD-NRFANRHFSA-N 357.519 4.445 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)N(C)Cc3ccccc3)o2)cc1 224860206 SWOXENPKXGNAJC-UHFFFAOYSA-N 364.445 4.332 0 40 FIAB O=C(NCCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574213 WDUCNQXTMWNAGW-UHFFFAOYSA-N 374.887 4.050 0 40 FIAB COc1ccc(NC(=S)NCCCc2cccc3ccccc23)cn1 225809579 RHOJHFYZGFGUIW-UHFFFAOYSA-N 351.475 4.163 0 40 FIAB O=C(O)c1ccc2oc(C3=CCN(Cc4ccccc4Cl)CC3)nc2c1 226251347 HFINAHGTHVVCJV-UHFFFAOYSA-N 368.820 4.469 0 40 FIAB Cc1c(C=O)c2ccccc2n1C(=O)Cc1ccc(Br)cc1 226366387 AMOPAZLAOGFGGQ-UHFFFAOYSA-N 356.219 4.408 0 40 FIAB CC(C)n1ccc(-c2nc(C(=O)NCc3ccccc3)c3ccccn23)c1 306138348 RVKKMDHPDNFLEE-UHFFFAOYSA-N 358.445 4.314 0 40 FIAB c1cncc(-c2ccc3c([C@@H]4CCCN4Cc4ccncc4)ncn3c2)c1 306144588 ZJMSPLIAZPBBRQ-FQEVSTJZSA-N 355.445 4.128 0 40 FIAB Cc1cccc(Oc2ccc(NC(=O)N3[C@H]4CC[C@H]3CC(=O)C4)cn2)c1C 333822003 JGBFYBUVDNFOIK-IRXDYDNUSA-N 365.433 4.219 0 40 FIAB COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccc(F)cc2)nn1 408526729 AOQKQIQNAVFMOO-UHFFFAOYSA-N 358.756 4.164 0 40 FIAB Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1C 408657061 IIXGOUSELCQHCO-GOSISDBHSA-N 359.425 4.415 0 40 FIAB O=C(O)C[C@@H]1CCN(CC2CCCCC2)C[C@@H]1Cc1nc2ccccc2[nH]1 514288600 DFAVYTIGQMODOU-ROUUACIJSA-N 369.509 4.099 0 40 FIAB biogenic,in-vitro COc1ccc(CNC(=O)NCc2ccc(-c3cccs3)o2)cc1OC 575608823 KVJHISZGYCZFBO-UHFFFAOYSA-N 372.446 4.025 0 40 FIAB CC(C)COc1ccc(C(C)(C)C(=O)N2CC[C@@]3(CCCOC3)C2)cc1 585081429 GKLFJUATXOFRKP-QFIPXVFZSA-N 359.510 4.028 0 40 FIAB O=C1CCC2(CCN(CC3CCCCC3)CC2)N1Cc1cccc(F)c1 1201392534 AIGDSSPYHZJNPR-UHFFFAOYSA-N 358.501 4.363 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 639795 RDSBHLQSBVXSMT-OAHLLOKOSA-N 356.491 4.253 0 40 FIAB Cc1ccc2cc(C)c3nnc(SCC(=O)OC4CCCCC4)n3c2c1 903044 TWIKMFFKVMBLLB-UHFFFAOYSA-N 369.490 4.467 0 40 FIAB COc1ccc(-c2cc3nc(C)c(C)c(N4CCCCC4)n3n2)cc1OC 1332081 VPOQTSNIFLEGTB-UHFFFAOYSA-N 366.465 4.021 0 40 FIAB CCOC(=O)[C@H](C)Sc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1 1400332 WNKAFSWFVKTRCZ-NSHDSACASA-N 364.854 4.031 0 40 FIAB O[C@@H](c1ccc(Br)cc1)[C@H](CN1CCCC1)c1ccccc1 2333337 PKEBDCQVVWGBKG-MOPGFXCFSA-N 360.295 4.362 0 40 FIAB CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 2655867 HOZDSCRDOGMVQT-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CCOc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)OC)cc1 2889630 KCHCBNGLCXUCEA-UHFFFAOYSA-N 371.414 4.446 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)NC1CCCCC1 3193238 NMBRZEZATDRCMF-UHFFFAOYSA-N 353.470 4.126 0 40 FIAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CC=C(c2ccccc2)CC1 3426986 DLFMMEFZKTWYTD-MDZDMXLPSA-N 363.848 4.317 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3ccccc3C(C)C)[nH]c2c1 3493620 CGHRHEMNVOXXRL-UHFFFAOYSA-N 355.463 4.426 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CCCCC2 4134787 CRQFEXPMKWWDKR-UHFFFAOYSA-N 373.474 4.455 0 40 FIAB CCOC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340665 NSXHMHOIZWYTKU-AWEZNQCLSA-N 352.386 4.099 0 40 FIAB biogenic O=c1c2c(nc(SCc3ccccc3)n1Cc1ccccc1)CCS2 4358746 ZTEHNRVRTIFRSY-UHFFFAOYSA-N 366.511 4.232 0 40 FIAB CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1 4649096 IWBQDJLMHNBGHC-UHFFFAOYSA-N 360.483 4.118 0 40 FIAB CCc1nc2ccccc2n1CC(=O)NC1(c2cccc(F)c2)CCCC1 4908377 BRVBOSWUDFXXSA-UHFFFAOYSA-N 365.452 4.324 0 40 FIAB CCCOP(=O)(NNP(=O)(OCCC)OCCC)OCCC 5573024 GZRCLMVSMUCBDC-UHFFFAOYSA-N 360.328 4.003 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(I)cc2C)cc1 5667382 HNGBOSMJVYREFS-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB COc1cc(/C=C/C(=O)O)ccc1OCc1cccc(C(F)(F)F)c1 5702245 VVBHIGABTYRXPZ-SOFGYWHQSA-N 352.308 4.391 0 40 FIAB CC(C)Oc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 6346025 TWILDZDPCCFQTG-CQSZACIVSA-N 372.852 4.119 0 40 FIAB Cc1ccc(N2CCN(C(=S)NCc3ccc(Cl)cc3)C[C@H]2C)cc1 6573461 YVUQSZLRNJKYEB-MRXNPFEDSA-N 373.953 4.234 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](Oc2ccc(C(N)=O)cc2)c2ccccc2)c1 7509796 XIBUTLMRYPQNQL-NRFANRHFSA-N 374.440 4.161 0 40 FIAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1Cl 7927204 SUXMBJMDQFIILI-CQSZACIVSA-N 364.898 4.021 0 40 FIAB COc1ccc(CN(C)CC(=O)Nc2cccc3ccccc23)cc1F 8130857 FWMKFSJCDAFVLC-UHFFFAOYSA-N 352.409 4.058 0 40 FIAB CCCCOc1ccc(NS(=O)(=O)c2cc(CC)ccc2OC)cc1 8132490 CFTPHIBGMGXTOD-UHFFFAOYSA-N 363.479 4.237 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1 8434214 VWUBZPQHZSLVEW-WOJBJXKFSA-N 374.440 4.011 0 40 FIAB Cn1c(SCC(=O)OCc2nc3ccccc3s2)nc2ccccc21 8482032 JIDZVZMJUCWKCL-UHFFFAOYSA-N 369.471 4.019 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc2c(cc1Cl)OCCCO2 8943263 GHOCZGSLVBSBFG-NSHDSACASA-N 365.788 4.046 0 40 FIAB COc1ccc2c(CC(=O)NCCCSc3ccccc3)coc2c1 8945140 XTCGLFPWZMEEAZ-UHFFFAOYSA-N 355.459 4.283 0 40 FIAB O=C(NC(=S)NCc1ccccc1)c1cccc2c(Cl)cccc12 9140803 SMGFJTRHKWJKHN-UHFFFAOYSA-N 354.862 4.298 0 40 FIAB O=c1cc(-c2cccnc2)[nH]c2c1c(C1CCCC1)nn2-c1ccccc1 9221344 MSYYOVKJHBNRDO-UHFFFAOYSA-N 356.429 4.433 0 40 FIAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)CC)cc1 9427832 DYSCBUVRNFACLD-UHFFFAOYSA-N 364.445 4.178 0 40 FIAB O=C(Nc1nnc(CSc2ccccc2)s1)C(Cl)(Cl)Cl 9667438 MBLXWBJIVVLQOQ-UHFFFAOYSA-N 368.698 4.139 0 40 FIAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 9859282 ZWPDVDFAPHCLCR-UHFFFAOYSA-N 372.471 4.110 0 40 FIAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 10339190 BGXQHKNZIXMHRW-UHFFFAOYSA-N 354.519 4.113 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)C1(C)C 11146942 JWSITSMPWJZWIJ-IEBWSBKVSA-N 366.461 4.387 0 40 FIAB Cc1cc(C(=O)NC[C@H](C)n2nc(C)cc2C)c2cccc(Cl)c2n1 12198715 WHQFBEJICIHFLO-AWEZNQCLSA-N 356.857 4.001 0 40 FIAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C2CCCCC2)C1 12221140 FNOBWTBHXHNRCB-IBGZPJMESA-N 364.493 4.249 0 40 FIAB Cc1cc(NC(=O)Cn2c(SCCC(C)C)nc3ccccc32)no1 12530946 KCHQDIVPFQAQIW-UHFFFAOYSA-N 358.467 4.110 0 40 FIAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(C)cn3)c2C(F)(F)F)cc1 12756400 INAXDSLGWAXZPD-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c(OC)c1 12820547 QHHWRFILNCSORD-STJXIEADSA-N 371.399 4.344 0 40 FIAB O=S(=O)(Nc1cc(F)ccc1F)c1cc(C(F)(F)F)ccc1Cl 14246714 WRXJTQTYTHSFRC-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB C[C@@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)c2ccccc2)CC1 14809164 CHIOURYCXVDROW-AWEZNQCLSA-N 367.474 4.454 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 15199655 YLVWEWBJKWRPDA-CQSZACIVSA-N 351.830 4.455 0 40 FIAB CCCCSc1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 16639434 YDIAGJBAKQNJJW-UHFFFAOYSA-N 370.474 4.359 0 40 FIAB O=C(NCc1ccc(Cl)cc1)c1cccc(OCc2cscn2)c1 17324206 IYFHXYLNEVFWCU-UHFFFAOYSA-N 358.850 4.306 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2ccccc2s1 17973653 PDRRHEXUZSZAHX-UHFFFAOYSA-N 352.459 4.229 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 18239323 SEKOXYLCMLCQMI-JLHYYAGUSA-N 360.413 4.372 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 18702573 FLNMTLCZOQSMQK-UHFFFAOYSA-N 353.447 4.311 0 40 FIAB Cc1csc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 19124506 GWQVXYCQVXHYAK-UHFFFAOYSA-N 359.476 4.188 0 40 FIAB COc1ccc(CN(Cc2cccnc2)C(=O)C2[C@H]3CCCC[C@@H]23)cc1 19554773 JYPSDDOCUHUUOY-WCRBZPEASA-N 350.462 4.055 0 40 FIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)C1 19933114 BHOJTORKYUYDDN-GOSISDBHSA-N 368.496 4.420 0 40 FIAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccccc2F)C1 23227118 WKBYGMDMFNWUNT-JTQLQIEISA-N 367.207 4.124 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 24750258 JFTIYZWSGCFQGA-UHFFFAOYSA-N 352.415 4.006 0 40 FIAB Cn1ccnc1-c1sc(NC(=O)Cc2ccccc2)nc1-c1ccccc1 24833366 INIQGJIKOHNVES-UHFFFAOYSA-N 374.469 4.392 0 40 FIAB COc1ccccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25177782 GSKXEAXMKZUSDM-UHFFFAOYSA-N 371.790 4.089 0 40 FIAB Cc1sc2nc(CN3CCOCC3)nc(Nc3cccc(F)c3)c2c1C 25426118 FNKLMUJLVZIETI-UHFFFAOYSA-N 372.469 4.023 0 40 FIAB Cc1nc(-c2ccc(OS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)no1 25874990 FDANZCYDNJWNRV-UHFFFAOYSA-N 372.446 4.046 0 40 FIAB Cc1sc2nc(CN3CCCCC3)nc(Oc3cccnc3)c2c1C 26226981 CPVHTXBHKZSSPP-UHFFFAOYSA-N 354.479 4.481 0 40 FIAB O=C(Cc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 27310565 RQVSGFAJBRUFSV-UHFFFAOYSA-N 368.820 4.044 0 40 FIAB S=C(Nc1ccc(Oc2ccccc2)cc1)NC12CCN(CC1)CC2 27642716 KQUCAECFCSZLLF-UHFFFAOYSA-N 353.491 4.004 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(Br)c2)cc1C 28047999 OATUUVSHBMSWHD-CYBMUJFWSA-N 368.296 4.105 0 40 FIAB O=C(Cn1ccc2ccc(F)cc21)N1CCC(Cc2ccccc2)CC1 32094502 WBGNTFLIPUSODU-UHFFFAOYSA-N 350.437 4.262 0 40 FIAB COc1ccc(Br)c(C(=O)N(C)Cc2ccc(Cl)s2)c1 32502342 LXZRTBMSSXUPID-UHFFFAOYSA-N 374.687 4.445 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C)cc2C)cc1 35289614 KTTGDOOUQORAGQ-LJQANCHMSA-N 351.450 4.247 0 40 FIAB COc1ccccc1-c1cc2nc(C)cc(NCCc3ccccc3)n2n1 36631419 XYTXXQMLNOLBKM-UHFFFAOYSA-N 358.445 4.368 0 40 FIAB Cc1oc(=O)c(-c2csc(-c3ccccc3)n2)c(O)c1Br 38307509 AVTNVJIVDPDDIU-UHFFFAOYSA-N 364.220 4.207 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1CCCC[C@H]1C 38500896 ZCBONLKBAYODFZ-PBHICJAKSA-N 359.445 4.109 0 40 FIAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(Oc2cnccn2)c1 40074579 WKICWRPHISXSOU-UHFFFAOYSA-N 358.401 4.171 0 40 FIAB COc1cc(C)ccc1OC(=O)[C@@H](C)Oc1ccc(Br)cc1 40160271 SPEMCXWUVKSSJE-GFCCVEGCSA-N 365.223 4.139 0 40 FIAB O=C(OCc1ccccc1)c1cc(O)c(OCc2ccccc2)c(O)c1 44136056 LCSFLBPXRZXFDB-UHFFFAOYSA-N 350.370 4.034 0 40 FIAB in-vitro Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc2c(c1)OCO2 44758310 ROXQCLHWYRHPSZ-UHFFFAOYSA-N 374.396 4.228 0 40 FIAB O=C(CCSc1ccccc1)NCc1cccc(CN2CCCC2)c1 46374607 JPZQKDSTOJYQCC-UHFFFAOYSA-N 354.519 4.081 0 40 FIAB Cc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)N3CCCCCC3)cs2)cc1 48248180 SXAMCTAULLHHMG-OAHLLOKOSA-N 372.490 4.066 0 40 FIAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1c1nnc2ccccn12 48355820 IBBWNQCQGGHJJG-GOSISDBHSA-N 359.433 4.030 0 40 FIAB Brc1cccc([C@H]2CC2(Br)Br)c1 49985940 MQSVZKPFYYVQLV-MRVPVSSYSA-N 354.867 4.423 0 40 FIAB Cc1csc(-n2c(C)cc(-c3csc(-c4cnccn4)n3)c2C)n1 58061556 KCEVXZROOWDYBT-UHFFFAOYSA-N 353.476 4.440 0 40 FIAB CCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)cc1 67339551 UHOZZNILIAKYJE-PKNBQFBNSA-N 365.385 4.270 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)C12CCCCC2 70666419 NRXMVVMJVIIWPB-LJQANCHMSA-N 356.510 4.110 0 40 FIAB biogenic O=C(NCC1CCCCC1)c1cn[nH]c1-c1cccc(Br)c1 72329084 AVNOQEIJHUKIGD-UHFFFAOYSA-N 362.271 4.149 0 40 FIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)COC4)c12 92048552 ILFWQRXQTBRDKI-UHFFFAOYSA-N 371.396 4.481 0 40 FIAB CCN(CCCC1CCN(C(=O)C2CCCC2)CC1)C(=O)C1CCCC1 95452710 AACNXUUBHJBHNE-UHFFFAOYSA-N 362.558 4.234 0 40 FIAB CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 95949512 LDKMYCOBMWAGKM-FQEVSTJZSA-N 350.462 4.017 0 40 FIAB C[C@](O)(CNC(=O)CSC1CCCC1)c1ccc(-c2ccccc2)cc1 96025778 INEYOOPHLAXLIF-QFIPXVFZSA-N 369.530 4.353 0 40 FIAB COc1cc(-c2coc3ccc(OCC(C)=O)cc23)cc(OC)c1OC 96116532 LVIYJHIKYCLSJQ-UHFFFAOYSA-N 356.374 4.093 0 40 FIAB biogenic O=C1CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)ccc2N1 108690844 WPXSXXQBWHDTLM-VQTJNVASSA-N 356.425 4.467 0 40 FIAB Cc1ccc(-c2nc(CC(=O)N3CCCC[C@H]3c3cccn3C)cs2)o1 173562338 TWLGXENTQJIZOK-KRWDZBQOSA-N 369.490 4.346 0 40 FIAB COc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 219306535 BCICXZVYQWHEAX-DNVCBOLYSA-N 369.461 4.190 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1 222997839 HHNDAVPSYOFPMS-FQEVSTJZSA-N 366.461 4.226 0 40 FIAB CCCc1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 225194161 CQLGDRFJFSUWAF-UHFFFAOYSA-N 367.489 4.092 0 40 FIAB Cc1ccc(NC(=S)N(C)Cc2nc(-c3ccccc3C)no2)cc1 225456422 OVAGBWYLJRVTCD-UHFFFAOYSA-N 352.463 4.182 0 40 FIAB COc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225763570 CKBAMAKNLDEEOE-QGZVFWFLSA-N 356.422 4.128 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(C)cc1 225857160 CCBSTKPYPZQRRA-HNNXBMFYSA-N 353.871 4.087 0 40 FIAB Cc1cc(NC(=O)c2ccc(Br)cc2)cc2sc(N)nc12 226310345 MEVUKLUYDVIWNE-UHFFFAOYSA-N 362.252 4.202 0 40 FIAB COc1c(Cl)cc(Cl)cc1C(=O)n1c(C)c(CO)c2ccccc21 226367413 QYTGMCDVMFKXSC-UHFFFAOYSA-N 364.228 4.446 0 40 FIAB CCN(Cc1ccccc1)c1ncncc1-c1nc(-c2ccsc2)no1 245070521 QNLUMLUXEKGTGW-UHFFFAOYSA-N 363.446 4.282 0 40 FIAB Cc1cc(Cl)ccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 408595262 LSMNAARCTJPIIJ-UHFFFAOYSA-N 353.274 4.358 0 40 FIAB CCN1CCC(CNC(=O)NCc2ccccc2Oc2ccccc2)CC1 583156008 CFTKKXYSTORKNJ-UHFFFAOYSA-N 367.493 4.010 0 40 FIAB COc1ccc2cc(C(=O)N[C@H]3C[C@H](OC(C)(C)C)C34CCC4)cnc2c1 1532649816 FUBIGCCBSHIDMJ-OALUTQOASA-N 368.477 4.100 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1nc2ccccc2s1 1775968884 OLVJWVFZSFNNEN-GFCCVEGCSA-N 370.455 4.081 0 40 FIAB Cc1ccc2onc(Cc3nn4c(-c5ccc(F)cc5)nnc4s3)c2c1 633087 WKDDYXHSMNGYOJ-UHFFFAOYSA-N 365.393 4.032 0 40 FIAB Cc1ccc2nc(NC(=O)c3cccc(NC(=O)C(C)C)c3)sc2c1 795363 SHRXUXMORKHLBZ-UHFFFAOYSA-N 353.447 4.452 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@H](C)CC2 866578 OQERGNAVACHEAN-GFCCVEGCSA-N 373.474 4.311 0 40 FIAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(C)C 871747 YKPIVSNCUGBOEG-UHFFFAOYSA-N 370.474 4.326 0 40 FIAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 920177 LJVFEGRLTGSZPY-UHFFFAOYSA-N 352.415 4.261 0 40 FIAB O=S1(=O)N=C(Nc2ccccc2Oc2ccccc2)c2ccccc21 1087557 MVBZSKWWXCIFQH-UHFFFAOYSA-N 350.399 4.040 0 40 FIAB COc1c2occc2c(OC)c2c(=O)cc(C(Cl)(Cl)Cl)oc12 1254903 TVBSTWIPTFNORH-UHFFFAOYSA-N 363.580 4.383 0 40 FIAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1F 1326386 MMDBELRZJJIIEH-UHFFFAOYSA-N 369.465 4.254 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCc1ccccc1Cl 1390215 RZZFERYNNGTKSK-UHFFFAOYSA-N 367.758 4.025 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccn1 1469196 QXHPRPDICIVESM-ZRDIBKRKSA-N 358.397 4.057 0 40 FIAB Cc1cccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)C[C@@H]2C)c1 2434567 BOYCJKRGVKYYGB-KRWDZBQOSA-N 371.488 4.443 0 40 FIAB CC[C@H](C)c1ccc(-c2cc(C(=O)OCC(N)=O)c3ccccc3n2)cc1 2620459 CIKOETFYLAEAHG-AWEZNQCLSA-N 362.429 4.057 0 40 FIAB CC[C@H](COC(=O)Nc1cc(C)ccc1C)NC(=O)Oc1ccccc1 3087652 HXISQPYGMKMHHZ-MRXNPFEDSA-N 356.422 4.419 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(C(F)(F)F)cc1 3287809 OJYLBNCXUOWCNS-UHFFFAOYSA-N 363.364 4.400 0 40 FIAB S=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cccc(Cl)c1 3326911 BXVYLZHOTSWAID-INIZCTEOSA-N 363.914 4.447 0 40 FIAB CN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)c1ccccc1 3380251 ZULYIYWONVTXRC-UHFFFAOYSA-N 361.397 4.299 0 40 FIAB CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc2c(C)cccc2s1 3538520 FCNJYBFUZWONGS-UHFFFAOYSA-N 356.447 4.289 0 40 FIAB O=C(CCc1ccccc1)NCCc1csc(-c2ccc(F)cc2)n1 5146313 TTYVVICIJJJLGN-UHFFFAOYSA-N 354.450 4.241 0 40 FIAB O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccccc2)n1 5253508 PCSSQANKKHIZRZ-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(C(F)(F)F)c1 5441630 OPNVOKWNLKZLNH-UHFFFAOYSA-N 362.351 4.475 0 40 FIAB FC(F)(F)c1ccc(Cl)c(-n2c(S)nnc2-c2ccncc2)c1 5448485 HWBNBLGKHFKDBC-UHFFFAOYSA-N 356.760 4.290 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)CSc2ccc(C)cc2)s1 5500111 YIOLTTUZDCTGDX-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB Cc1nn(C)c(Oc2ccccc2)c1CCNC(=O)c1ccc(Cl)cc1 5724181 INQORLALTKIXMD-UHFFFAOYSA-N 369.852 4.147 0 40 FIAB Cc1ccc(SCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 5939892 IUAGHLKRPZCYCG-UHFFFAOYSA-N 354.519 4.053 0 40 FIAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 6376901 KGRYLUOZCZBAMI-INIZCTEOSA-N 358.482 4.127 0 40 FIAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2cnn3C)cc1C 6901069 YEKREYNMVXPCPK-KBPBESRZSA-N 364.497 4.206 0 40 FIAB CCCCn1nnnc1NCc1cccc(OCc2ccccc2Cl)c1 7262202 NTZQFFVHHUWSDG-UHFFFAOYSA-N 371.872 4.318 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 7593837 URDZIJOCQGSNAP-GFCCVEGCSA-N 373.865 4.188 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(F)cc2)c2cccs2)cc1 7702407 ZXIFXQVEMKKORX-GOSISDBHSA-N 361.463 4.264 0 40 FIAB C[C@@H]1Sc2nnc(Cc3ccccc3F)n2N=C1c1ccc(Cl)cc1 7718850 JQBYHQRVJUULTA-NSHDSACASA-N 372.856 4.408 0 40 FIAB Cc1ccc(F)cc1NC(=O)c1nccnc1-c1nc2ccccc2s1 7920151 GJTXBQNYTLIAIB-UHFFFAOYSA-N 364.405 4.453 0 40 FIAB COc1cc(CNCCSc2ccc(Cl)cc2)cc2c1OCCO2 7986243 UMAFRRXPOLBUAU-UHFFFAOYSA-N 365.882 4.002 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 8073494 XEWXQMUBMZXZLI-UHFFFAOYSA-N 368.477 4.141 0 40 FIAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2ccccc2c1 8115082 ZLAQVCGLHRZUQV-LJQANCHMSA-N 350.487 4.468 0 40 FIAB C[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 8191167 VLMFJQNJDWUYEZ-AWEZNQCLSA-N 350.443 4.491 0 40 FIAB CCCCNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 8306466 GJGFYBYIVXRWPW-UHFFFAOYSA-N 364.489 4.122 0 40 FIAB C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N1CCCCCC1 8325627 SVJIMBCACIOSOM-QGZVFWFLSA-N 366.461 4.109 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8481063 OOGDZHRVZCHPHB-QGZVFWFLSA-N 368.477 4.191 0 40 FIAB CC(C)c1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)o1 8704524 NFTXZTJELWWCRB-UHFFFAOYSA-N 374.510 4.304 0 40 FIAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(C/C=C/c2ccccc2)C1=O 8850728 QCRDGWIDJCKGRJ-HDFUYHJRSA-N 356.425 4.320 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 9140576 JYPIDPIZFNDPRD-UHFFFAOYSA-N 355.246 4.134 0 40 FIAB COc1ccc2cc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)ccc2c1 9939688 LNCWCGRVSYHYJP-CQSZACIVSA-N 353.393 4.071 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10315012 UPPZNCXGBDPQQY-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB COc1cc(/C=C/C(=O)N2CCc3sccc3C2)ccc1OCC(C)C 10923069 ZINQCFPUMCSJKN-FNORWQNLSA-N 371.502 4.390 0 40 FIAB CCCSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 12322216 ZEDXQPMUOKEOOJ-UHFFFAOYSA-N 359.886 4.122 0 40 FIAB COc1cccc(Oc2ccc3nnc(-c4ccccc4Cl)n3n2)c1 12322982 LFMXTPKDQTVFQI-UHFFFAOYSA-N 352.781 4.246 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN(c3cnc4ccccc4n3)C2)c(C)c1 12414752 PPCPIKZATCIMHM-KRWDZBQOSA-N 360.461 4.102 0 40 FIAB O=C([C@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1)N1CCCC1 12524821 KCYGFSAFVBKCEL-JOCHJYFZSA-N 363.505 4.453 0 40 FIAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1Cc2ccccc2O1 12773657 JNGXHRBSQYILDO-OAQYLSRUSA-N 363.388 4.238 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2nc3ccccc3s2)cc1F 12980934 GBIHRHWIZXMIOU-ZDUSSCGKSA-N 357.454 4.203 0 40 FIAB O=C(O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc(Cl)s1 13263013 RDVCKYDDJBIMMF-UHFFFAOYSA-N 367.835 4.054 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2Br)c1 13668462 CBZVVXHDEXPGBH-UHFFFAOYSA-N 362.223 4.187 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1 14257638 NGUBKTOZNPNYKR-UHFFFAOYSA-N 352.463 4.089 0 40 FIAB CN(CC(=O)N1CCSc2ccccc21)[C@@H]1CCCc2ccccc21 16342783 PMYDCDRZRNAWBI-GOSISDBHSA-N 352.503 4.135 0 40 FIAB CN(Cc1ccc(Cl)cc1)Cn1nc(-c2cccs2)[nH]c1=S 16352694 GLGYTAJDHJCCMX-UHFFFAOYSA-N 350.900 4.412 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1OC(F)F 16722381 GBBMMROHTPLFDI-UHFFFAOYSA-N 353.394 4.440 0 40 FIAB CCN1CCC(n2nccc2NC(=O)c2oc3ccc(C)cc3c2C)CC1 19527057 PRYIWUMSUDMPPC-UHFFFAOYSA-N 366.465 4.155 0 40 FIAB COc1ccc([C@@H]2[C@@H](NC(=O)CCc3cccnc3)[C@@H]3CCCC[C@H]32)cc1 19557497 LFULXXCPPKFVOV-SCPDWHHUSA-N 364.489 4.111 0 40 FIAB COc1ccccc1N1CCN(C(=O)Nc2ccccc2C(C)C)CC1 19923771 IJEOIQFSKJTDDL-UHFFFAOYSA-N 353.466 4.173 0 40 FIAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccc1OC(F)F 22088571 DNCYDHVXVJTIMJ-UHFFFAOYSA-N 369.371 4.215 0 40 FIAB O=C(OCc1noc(-c2ccco2)n1)c1ccc2[nH]c3c(c2c1)CCCC3 24045288 BRSHNHPXPKAEBK-UHFFFAOYSA-N 363.373 4.047 0 40 FIAB CC(C)(C)c1ccc(Cn2nccc2NC(=O)CCc2ccco2)cc1 26794451 JWDDLSDTWVCALH-UHFFFAOYSA-N 351.450 4.393 0 40 FIAB C[C@@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)C1CC1 27189288 XGPFCGLBZDBFQG-LVLBFHFTSA-N 366.848 4.256 0 40 FIAB CCCOc1ccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)cc1 27645375 ADTJJOGSELHQGE-UHFFFAOYSA-N 368.437 4.231 0 40 FIAB CCOc1ccc(-c2nsc(NC(=O)c3ccc(F)cc3)n2)cc1OC 28286754 IHVSDOGOBBDKID-UHFFFAOYSA-N 373.409 4.004 0 40 FIAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@H]1c1cccs1 32869170 MTJSZEFCGOSALA-SFHVURJKSA-N 363.486 4.400 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1Cl 32915239 KRTQKAJTABUEJH-CQSZACIVSA-N 374.651 4.119 0 40 FIAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)nc2c1CCC2 33682110 BHUHITLRQOVDSE-UHFFFAOYSA-N 368.289 4.311 0 40 FIAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 33792596 SUZXJPWPBZJCDQ-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccccn2)cc1 38145181 GCMIHAVVZNZNBT-FQRUVTKNSA-N 374.421 4.091 0 40 FIAB c1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)cc1 39974785 KFPGKSGCRCNEIO-UHFFFAOYSA-N 364.518 4.215 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)NCc1cccc(C(=O)Nc2ccccc2)c1 40106704 IUVVQYKJGQSTIP-SDNWHVSQSA-N 374.415 4.408 0 40 FIAB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC[C@H]1c1ccsc1 40107775 PBTRRCLRPDRBNR-OALUTQOASA-N 357.475 4.283 0 40 FIAB Cc1ccc(NC(=S)NCc2cccc(N3CCCC3=O)c2)cc1Cl 44077897 OJVXZRNXZDRDCM-UHFFFAOYSA-N 373.909 4.262 0 40 FIAB COCc1ccccc1NC(=O)c1ccccc1SC[C@@H]1CCCO1 44550561 QANARWFTJQQCFD-INIZCTEOSA-N 357.475 4.356 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Oc2cnccn2)cc1 46720948 QHYPJZQAULHREE-UHFFFAOYSA-N 371.396 4.440 0 40 FIAB Cc1ccccc1NCCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 56080826 CBIUTFZPRAWPTF-UHFFFAOYSA-N 357.479 4.047 0 40 FIAB CC[C@H](NCC(=O)N1CCc2ccccc21)c1ccc(Br)cc1 57435037 KMQYZFNZEAHMNK-KRWDZBQOSA-N 373.294 4.079 0 40 FIAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccc(Cl)cc1)C(=O)CO3 57709599 VMMVHJAWRCHWTD-UHFFFAOYSA-N 366.848 4.426 0 40 FIAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2cc(-c3ccccc3)on2)cc1 58172721 MUDMAGDMSGKLIM-HNNXBMFYSA-N 370.474 4.334 0 40 FIAB Fc1ccccc1-c1nnc2ccc(NCC3(c4ccccc4)CC3)nn12 58358115 JKNUOUISJZWFCJ-UHFFFAOYSA-N 359.408 4.074 0 40 FIAB Fc1ccc(-c2nnn3c2nc(NCc2ccncc2)c2ccccc23)cc1 67261429 STLQKLBHABFRJC-UHFFFAOYSA-N 370.391 4.091 0 40 FIAB Clc1ccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 67898644 OCUSDBFNKKLWMN-IBGZPJMESA-N 353.853 4.304 0 40 FIAB biogenic,in-vitro C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)nc2)o1 70005782 XHBQIBBCNLQLRN-CRAIPNDOSA-N 353.466 4.360 0 40 FIAB O=C([C@H]1CC(c2ccccc2)=NO1)N(Cc1ccco1)c1cccc(F)c1 71843924 SXTJFHIQAURBNG-HXUWFJFHSA-N 364.376 4.145 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(-c2cc(C)c(C)cc2O)n[nH]1 72238533 NXFFPXJCOXSZLT-UHFFFAOYSA-N 351.406 4.050 0 40 FIAB COc1cccc(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)c1 72289089 QXUNPVOQIIUQEW-IBGZPJMESA-N 360.429 4.058 0 40 FIAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)n2)c1 72369902 RSCNCQYPRAZJBD-HNNXBMFYSA-N 371.387 4.013 0 40 FIAB COc1ccc(CN2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)cc1 72376771 MQHWPEWUECQJTB-OAQYLSRUSA-N 374.488 4.462 0 40 FIAB O=C(CCc1nc(-c2ccccc2)no1)NCc1cccc2ccccc12 74376925 MAWXHMIWGHFZDI-UHFFFAOYSA-N 357.413 4.139 0 40 FIAB O=C(c1ccc2ccc(Cl)cc2n1)N(C[C@@H]1CCCO1)c1ccncc1 84112320 SBCGYWCPTXADCL-KRWDZBQOSA-N 367.836 4.109 0 40 FIAB O=C(c1cccc(Cl)c1Cl)N1CCC[C@H](NCc2ccccc2)C1 84539304 WDTLKLSGRLBWPC-HNNXBMFYSA-N 363.288 4.388 0 40 FIAB CCCCc1ccc(C(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O)cc1 95633978 YPDHHFKTGJNNKO-UHFFFAOYSA-N 356.262 4.202 0 40 FIAB CCN(CC(=O)NC(C)C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 98069123 HUBUMCBCWJFQKX-UHFFFAOYSA-N 359.539 4.280 0 40 FIAB C[C@@H]1ON=C(c2ccccc2Cl)[C@@H]1C(=O)NCc1ccc(Cl)cc1 100262503 NSECQABYXXMANU-MEDUHNTESA-N 363.244 4.049 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 102191921 CJXNCMVACVQIIL-UZLBHIALSA-N 360.523 4.461 0 40 FIAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102591962 WIOVCLNVOPMEEA-KKSFZXQISA-N 372.428 4.352 0 40 FIAB CC1=C(C)[C@H](NCc2cccs2)N([C@@H]2CCCc3ccccc32)C1=O 199411110 OWDVFDLAYYHLOV-WOJBJXKFSA-N 352.503 4.420 0 40 FIAB CC[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)c(C)c1 222618739 GYPCANVFRLCFTO-LJQANCHMSA-N 366.461 4.012 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCCCN(C)c2ccccc2)ccc1Cl 222858834 FYVAAIPASKBFET-MRXNPFEDSA-N 360.885 4.058 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc2ccccc12 223550499 DBJUPAWZFSDEDD-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB 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FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)c1 929466 WYVMPCHLKKLIFO-HUUCEWRRSA-N 359.495 4.235 0 40 FIAB O=C1CN(c2ccc3ccccc3c2)C(=O)CN1c1ccc2ccccc2c1 1439242 QWHPZKAVTSLGQC-UHFFFAOYSA-N 366.420 4.373 0 40 FIAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(F)cc1 1656406 LWOALQQLBCVOAU-PGMHBOJBSA-N 351.164 4.210 0 40 FIAB CCc1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O 1782207 ULEXQOLZNCXVOB-UHFFFAOYSA-N 364.445 4.044 0 40 FIAB CCOc1ccccc1Oc1coc2cc(OC(=O)C3CC3)ccc2c1=O 2439791 UAYNNJLMQLQNSV-UHFFFAOYSA-N 366.369 4.299 0 40 FIAB biogenic C[C@H]1CCc2c(sc3ncnc(Sc4nnc5ccccn45)c23)C1 2630429 BTHCWCKPKODPIE-JTQLQIEISA-N 353.476 4.010 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3sccc3C)n2)cc1OC 2630789 CPZPHRVZIKOURW-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1C[C@H]1CCCO1 2973565 JRVHLWHGUNPCGL-MRXNPFEDSA-N 370.449 4.007 0 40 FIAB O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1cccs1 3248309 UUOFDGIECCDPMQ-UHFFFAOYSA-N 367.426 4.014 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2C(F)(F)F)cc1 3287409 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DMVSKZHOXUSXES-UHFFFAOYSA-N 374.440 4.136 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccc(C)cc1 7308869 SECYMTLYVNXPRU-GFCCVEGCSA-N 374.325 4.249 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1C 7637938 ACYBMVVOLSJQNK-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB CCOc1ncccc1C(=O)OCc1csc(Nc2ccccc2)n1 7779311 KRLGIHXEIQYVBE-UHFFFAOYSA-N 355.419 4.037 0 40 FIAB COc1ccc(-c2nnc(SCc3cc(C)on3)n2CC(C)C)cc1 7820200 UODPUOHQCOJMMG-UHFFFAOYSA-N 358.467 4.198 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 7828448 MNOPKVYZNRVTGC-UHFFFAOYSA-N 362.876 4.180 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(N2CCCC2=O)c1 7920994 KEYABNUSDQULAN-UHFFFAOYSA-N 370.452 4.333 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)c(C)c1 8286570 PGPQEFNDVDTQNA-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB Cc1ccc(C(=O)Oc2ccccc2-c2cc(=O)n3c(n2)CCCCC3)cc1 8550015 UURSAIANUWLFSY-UHFFFAOYSA-N 374.440 4.164 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1cccc(F)c1 9317019 RUIFPGNIYPNLHA-INIZCTEOSA-N 358.804 4.124 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)/C=C/c1ccc2ccccc2n1 9512077 OOAUTWXDEXXXJA-OUKQBFOZSA-N 370.408 4.464 0 40 FIAB CCOc1cccc2c1N(C(=O)CSc1ncccn1)C(C)(C)C=C2C 9938355 MSNJMBWCJOFHLX-UHFFFAOYSA-N 369.490 4.196 0 40 FIAB CCOc1cccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 10112211 YIJLJLAPVAYGOM-UHFFFAOYSA-N 360.262 4.334 0 40 FIAB COc1cc(Cl)c(NC(=O)COc2ccc(Cl)cc2)cc1OC 10585044 LEZKFBKBIWTKBQ-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB Cc1cc(C)c(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)c(C)c1 10941895 XBCPFDKWRSPJKO-UHFFFAOYSA-N 351.450 4.011 0 40 FIAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCCCC1 11565885 JTQAHZSUSBVYRB-UHFFFAOYSA-N 353.528 4.472 0 40 FIAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C(C)C)cc1 11722356 OVKCRYULQDFWNB-UHFFFAOYSA-N 351.494 4.123 0 40 FIAB CCOc1ccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)cc1 12016668 DFZSLUOZAXGZLM-UHFFFAOYSA-N 365.458 4.273 0 40 FIAB FC(F)(F)c1ccccc1CN1CCC(c2n[nH]c3ncccc23)CC1 12221867 GYZVAJDCBQZUEF-UHFFFAOYSA-N 360.383 4.356 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N1CCC(CCc2ccccc2)CC1 13019092 FOACXPGVKWKXFI-SFHVURJKSA-N 366.505 4.367 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccco1 13708422 WHIGPKMERMCWFD-HNNXBMFYSA-N 355.459 4.250 0 40 FIAB COc1ccc(-n2ncc3c2C[C@@H](c2cccc(Cl)c2)CC3=O)cc1 14164190 SOGIPLFUVNMNMF-CQSZACIVSA-N 352.821 4.447 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)Oc2ccc(Cl)c3ccccc23)cc1 14739930 NEVKARWIHMQGEQ-UHFFFAOYSA-N 360.818 4.116 0 40 FIAB O=C(CCC1CCCC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 15316884 PCKHWGNXQXASFD-UHFFFAOYSA-N 370.415 4.451 0 40 FIAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 17075753 VDIZPZRRSVWUFQ-UHFFFAOYSA-N 369.490 4.169 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 17173086 VFZHCVNFHQPLCG-UHFFFAOYSA-N 373.408 4.347 0 40 FIAB O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 18177361 PNDQJUVRRFIFTM-UHFFFAOYSA-N 366.218 4.143 0 40 FIAB in-vitro COc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)C[C@@H](C)O3)c(OC)c1 19497936 FLWLIZFFOYEUMO-AUUYWEPGSA-N 367.445 4.005 0 40 FIAB COCc1ccc(OC)c(CN[C@H](Cc2ccsc2)c2nccs2)c1 19594373 OOLHBKQYIDEENV-QGZVFWFLSA-N 374.531 4.433 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609909 DRGFZOKSHRPAPD-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 24181819 INHJMDGTUMVBGO-QFIPXVFZSA-N 366.505 4.146 0 40 FIAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(C3SCCS3)cc2)no1 29237932 YZZLXWUXDRVXDJ-MRXNPFEDSA-N 360.504 4.439 0 40 FIAB COC(=O)c1cc(OCc2cccc(C(F)(F)F)c2)ccc1NC(C)=O 36719658 WQJGFQNNVPFKMU-UHFFFAOYSA-N 367.323 4.029 0 40 FIAB Cc1csc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)n1 40033921 QKENHGYZHJONIA-UHFFFAOYSA-N 361.854 4.009 0 40 FIAB Cc1noc(CSc2ccccc2C(=O)NCCC2=CCCCC2)n1 40050831 LPKCDRHCACSRJS-UHFFFAOYSA-N 357.479 4.291 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)c(C)s1 40080827 KLYJAOHWRPASOH-VXGBXAGGSA-N 364.898 4.014 0 40 FIAB Brc1cc(Cc2ccccc2)ccc1OC[C@H]1CCCNC1 42774419 ZDJZCUFHVNMUJR-KRWDZBQOSA-N 360.295 4.418 0 40 FIAB O=C(NCc1ccc(F)cc1F)c1cc(-c2cccc3ccccc23)[nH]n1 44839245 MKXYXVSUGBODNV-UHFFFAOYSA-N 363.367 4.438 0 40 FIAB O=C(/C=C/c1ccccn1)Nc1ccnn1Cc1cccc(Cl)c1Cl 47520089 ZSTCHSZTHCZMGC-BQYQJAHWSA-N 373.243 4.285 0 40 FIAB CCCNC(=O)c1cccc(CNCc2c(OC)ccc3ccccc23)c1 47794349 BLWSPXKAGUBCJT-UHFFFAOYSA-N 362.473 4.278 0 40 FIAB Cc1ccccc1-c1cc(C(=O)N(C)CC2CC2)c2cnn(C(C)C)c2n1 47903797 UHABMDZZLQQZSI-UHFFFAOYSA-N 362.477 4.470 0 40 FIAB O=C(C[C@H]1C=CCC1)Nc1cccc(COc2ccc3c(c2)OCO3)c1 48364079 JYCADVDFQQSAKY-HNNXBMFYSA-N 351.402 4.289 0 40 FIAB CC(C)Sc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1 53444074 ZJKTYQIROQBDNG-UHFFFAOYSA-N 353.447 4.167 0 40 FIAB O=C(CC[S@@](=O)Cc1ccc(Cl)cc1Cl)Nc1ccccc1 58098086 NCXBJAPQMVTAMR-QFIPXVFZSA-N 356.274 4.271 0 40 FIAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(F)cn1 58310155 MEWKZGANXKEEFT-UHFFFAOYSA-N 357.410 4.370 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N(Cc1ccsc1)c1cccnc1 60363590 HENZBRUFCTZHSK-FMIVXFBMSA-N 356.472 4.150 0 40 FIAB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3ccccc3)ccn2n1 64977383 BQNNTYAKISEMET-UHFFFAOYSA-N 373.456 4.390 0 40 FIAB CN(C)c1cc(C(=O)Nc2ccccc2N2CCc3ccccc32)ccn1 65532063 WFTJPKQKNQPLEE-UHFFFAOYSA-N 358.445 4.094 0 40 FIAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2F)[nH]n1 71113091 UYQXRAPEDAHLDY-UHFFFAOYSA-N 367.424 4.325 0 40 FIAB Cc1ccccc1OCCNC(=O)c1cc(Br)ccc1Cl 71989157 MUQVNZNNKGCUKM-UHFFFAOYSA-N 368.658 4.220 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)=O)cn1 72215105 BDURIXRWWIAIFS-RHSMWYFYSA-N 361.486 4.305 0 40 FIAB Cc1ccc(Nc2nccc([C@@H]3CCCN(CCc4ccccc4)C3)n2)nc1 72377563 BNWOQFZXWMGBAI-HXUWFJFHSA-N 373.504 4.346 0 40 FIAB C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1nccc(-n2cccn2)n1 84718157 HXWDQYKVXMKVJD-LLVKDONJSA-N 360.248 4.093 0 40 FIAB C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(N2CCCC2=O)ccc1F 89930138 UHMWVBXUALNNJU-SZNDQCEHSA-N 366.436 4.006 0 40 FIAB O=C(CCn1ncc2ccc(Cl)cc21)Nc1nc2c(s1)CCCC2 96181949 OCKJCHCYMDBPBK-UHFFFAOYSA-N 360.870 4.054 0 40 FIAB CNc1ncccc1CN(Cc1ccccn1)Cc1ccccc1Cl 100725546 RZPYDBSHBBBEBO-UHFFFAOYSA-N 352.869 4.374 0 40 FIAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2F)C[C@@H](c2ccco2)C1 102749055 FNBVKHWGJSTEKG-BMLIUANNSA-N 366.352 4.431 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 219026093 RKHJNPZIZRZGPB-OAHLLOKOSA-N 363.413 4.423 0 40 FIAB COc1ccc(CCC(=O)NCCSCc2ccccc2C)cc1C 222670763 SQBIURBRXVUKKL-UHFFFAOYSA-N 357.519 4.294 0 40 FIAB Cc1ccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 222942325 FYRHRYAJJFIFNY-UHFFFAOYSA-N 353.853 4.429 0 40 FIAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223403612 IDNHJJNIBNNSRW-PMACEKPBSA-N 362.502 4.076 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 224023843 QXXOMAYTOSJJER-SFHVURJKSA-N 355.478 4.389 0 40 FIAB CCc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)cc1 224145546 XLGDMUJTKGTNLD-UHFFFAOYSA-N 361.869 4.257 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)c(C)c1 224623556 AXFQFHAQVZEJKP-IBGZPJMESA-N 361.869 4.309 0 40 FIAB Cc1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Br 224710803 GAPVIXYSLWUXIA-UHFFFAOYSA-N 374.687 4.236 0 40 FIAB Fc1ccccc1CSCCNC(=S)Nc1c(F)cccc1F 225412981 NBBPQABUUYUCMW-UHFFFAOYSA-N 356.438 4.324 0 40 FIAB COC[C@@H](C)Oc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl 225591579 VJZSSBLXMNBZKO-SSDOTTSWSA-N 361.052 4.062 0 40 FIAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 225736691 VCYVZZKSXAITJA-CYBMUJFWSA-N 359.461 4.114 0 40 FIAB Cc1cccnc1[C@H](NC(=O)N1C[C@H](c2ccsc2)O[C@H](C)C1)C(C)C 246323043 DFYBLAUOMIAAQU-KBAYOESNSA-N 373.522 4.320 0 40 FIAB CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccccc1 408534536 MGTNXQGXYDYJCP-JSMFNBGISA-N 353.374 4.342 0 40 FIAB COc1ccc(CCCC(=O)N[C@@H]2NC(c3ccccc3)=CS2)c(C)c1 408916749 YZRFOSYKNXPUSJ-NRFANRHFSA-N 368.502 4.061 0 40 FIAB Cc1cc(CNC(=O)c2cc(Cl)ccc2SC2CCCC2)n(C)n1 556471482 JYPRBMBVKUUYDL-UHFFFAOYSA-N 363.914 4.347 0 40 FIAB C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 624745104 INCIZUAVGIXRSV-OAVPIMDZSA-N 372.512 4.015 0 40 FIAB Cc1ccc(NC(=O)c2cccc(Nc3cnccn3)c2)cc1OC(F)F 1586578944 ZMDKXJICPOHLTJ-UHFFFAOYSA-N 370.359 4.382 0 40 FIAB Clc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2Cl)cc1 721404 WXBNZGZKZYHHRZ-UHFFFAOYSA-N 357.204 4.026 0 40 FIAB Cc1ccc(C)c(N[C@H](NC(=O)c2ccccn2)C(Cl)(Cl)Cl)c1 836879 DMFDIJMJNLKKBU-OAHLLOKOSA-N 372.683 4.237 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1ncnc2sc3c(c12)CCC3 933068 PSSADOPBGXVUMR-TXEJJXNPSA-N 361.536 4.062 0 40 FIAB Cc1[nH]c2ccc(Br)cc2c1CCNC(=O)c1cccs1 974208 ILZZQGCRDLYRLX-UHFFFAOYSA-N 363.280 4.273 0 40 FIAB biogenic,in-vitro CCOC(=O)[C@@H](C)Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236786 DSOHJAJZRPVFOK-GFCCVEGCSA-N 372.804 4.444 0 40 FIAB biogenic CCOC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2cc3c(cc2C1=O)CCC3 1855467 STXUACZSSBLOCT-RUZDIDTESA-N 374.480 4.195 0 40 FIAB CCOc1ccc(Oc2coc3c(C)c(OC(C)=O)ccc3c2=O)cc1 2445526 DQLDEPMOLKZTBE-UHFFFAOYSA-N 354.358 4.218 0 40 FIAB Cc1nn(C)c2ncc(NC(=O)Nc3ccccc3Cl)c(Cl)c12 2577825 VCEWHIFJBUBCPN-UHFFFAOYSA-N 350.209 4.228 0 40 FIAB COc1ccc(-n2nnc(C(=O)Nc3cc(C)cc(C)c3)c2C)cc1Cl 2699052 GSKFOTRAWZRKLX-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Cl)cc1C(F)(F)F 3388572 CWDJCVBLMDXTRT-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCC1CCCCC1 3402265 YTVIOZQTCRPRNQ-UHFFFAOYSA-N 365.473 4.058 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 3554303 SWNSNWSIHLGNOI-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OC 3577911 QUTMJGPNASZYED-ATVHPVEESA-N 351.402 4.137 0 40 FIAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(Br)c1 4077594 PXXXJYXIKLYQKT-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Br 4093698 JDUNDVZCAGDAMQ-UHFFFAOYSA-N 355.619 4.149 0 40 FIAB CC[C@@H](OC[C@@H](O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1 4264070 GUYVJQTTYAHQEU-BJKOFHAPSA-N 367.533 4.470 0 40 FIAB COC(=O)c1cccc(COC(=O)c2ncc(Cl)c(Cl)c2Cl)c1 5359604 FPTMKUFTDYKGAZ-UHFFFAOYSA-N 374.607 4.185 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 5373748 FTRPUYVRCRZICN-UHFFFAOYSA-N 352.478 4.141 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 6348791 CAOBVJPPGPUAED-UHFFFAOYSA-N 354.450 4.192 0 40 FIAB C[C@@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccccc4)c(=O)c23)C1 6420481 ZGMDDXCAAKUXTC-GFCCVEGCSA-N 356.516 4.488 0 40 FIAB Cc1cc2sc(NC(=S)NC(=O)c3ccccc3)nc2cc1Cl 6826412 RZPACQKSFLKPMD-UHFFFAOYSA-N 361.879 4.385 0 40 FIAB CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(F)F 7364381 SXENBQBLMPCPBC-GOSISDBHSA-N 374.387 4.416 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12 7735309 DNQLUNPCUZJORY-UHFFFAOYSA-N 361.496 4.043 0 40 FIAB COc1ccc(/C=C/c2nnc(NC(=O)CCc3ccccc3)s2)cc1 9358511 XNTHWHAJTGWKEH-GXDHUFHOSA-N 365.458 4.288 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 10541202 STKZCRCUBBDGKL-GOSISDBHSA-N 367.836 4.085 0 40 FIAB Cc1cc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2ccco2)c1 10550549 MOIRDBAYNFIEIA-UHFFFAOYSA-N 373.412 4.434 0 40 FIAB COC(=O)c1occc1CSCC(=O)Nc1c(C)cc(C)cc1Cl 11100417 LNZKSEGFXGHQSX-UHFFFAOYSA-N 367.854 4.208 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc(Cl)c1 11483099 IPNXAYOQTFEYMO-UHFFFAOYSA-N 357.759 4.349 0 40 FIAB Cc1cc(NC(=O)c2csc3c2CCCC3)ccc1N1CCCC1=O 11759330 BGUPMTUCXZNBAK-UHFFFAOYSA-N 354.475 4.314 0 40 FIAB CCn1ccnc1S[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 11889064 UFXXWKWQBKMSAR-GOSISDBHSA-N 367.474 4.384 0 40 FIAB COc1ccc([C@@H]2[C@@H](NC(=O)c3sc(C)nc3C)[C@@H]3CCCC[C@H]32)cc1 12162308 IEDNEAYEDOGXHB-YRXWBPOGSA-N 370.518 4.471 0 40 FIAB Cc1cccc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)n1 12324176 FJBNJTHXMPBSTA-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1c(C)noc1C 12543037 REIIJROUGCCQQF-UHFFFAOYSA-N 355.360 4.409 0 40 FIAB COc1ccccc1CCC(=O)Nc1nc2c(s1)CCc1ccccc1-2 12616261 ZALBFWIALOENRP-UHFFFAOYSA-N 364.470 4.489 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Sc2nccn2-c2ccccc2)cc1 12773813 NIBPWGWBVDCKOR-CQSZACIVSA-N 353.447 4.000 0 40 FIAB CC(C)CNC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12775294 QTTFKOOGFJXTAN-UHFFFAOYSA-N 354.494 4.227 0 40 FIAB COC(=O)c1cc(NC(=O)CCc2ccc(C)c(Cl)c2)c(F)cc1F 12786069 AHNMOVAXYGZJBG-UHFFFAOYSA-N 367.779 4.285 0 40 FIAB COc1ccccc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12857905 IXZOJUFXEAJAMN-UHFFFAOYSA-N 359.385 4.393 0 40 FIAB CCc1oc2ccccc2c1CN(CCCN(C)C)Cc1ccccn1 13990791 FMRVTINCJAZQMC-UHFFFAOYSA-N 351.494 4.344 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 14268978 UCUSZWCXIKBRMF-OAHLLOKOSA-N 354.450 4.335 0 40 FIAB COc1ccccc1CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14282909 WRLATTSYKPXGSD-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB O=C(CSc1nccn(-c2ccc(F)cc2)c1=O)c1cccc(Cl)c1 17149927 KJTYAKUZRJSVMZ-UHFFFAOYSA-N 374.824 4.000 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 19676915 MCKXJVUUHSHBJG-UHFFFAOYSA-N 358.246 4.039 0 40 FIAB O=C(NCC1(c2ccccc2Cl)CC1)c1ccccc1Cn1cccn1 19719175 DJDBDSKOXTXDTL-UHFFFAOYSA-N 365.864 4.046 0 40 FIAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2cccnc2)s1 20726238 CGHDYJWHTCSVFW-AWEZNQCLSA-N 354.460 4.295 0 40 FIAB Cc1ccc2c(COC(=O)CCc3ccc4ccccc4n3)cc(=O)oc2c1 21432175 LPVRVALEICHPEY-UHFFFAOYSA-N 373.408 4.326 0 40 FIAB O=C([C@H](Sc1ncnc2ccsc12)c1ccccc1)N1CCCC1 22005196 KGSAQMCXEMJVEG-OAHLLOKOSA-N 355.488 4.147 0 40 FIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ccccc1 22551734 RWLQZKMYVLVSPO-SFHVURJKSA-N 365.408 4.172 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1ccsc1 23730840 NLHVBBNQKOYMRJ-UHFFFAOYSA-N 353.491 4.142 0 40 FIAB O=C(c1sccc1-n1cccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 25613190 IYQVYHHVOQBINC-UHFFFAOYSA-N 374.469 4.345 0 40 FIAB C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2cccc(F)c2F)CC1 29160356 GDGBGGRDRLVZFP-AWEZNQCLSA-N 373.472 4.453 0 40 FIAB COc1cc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)cc(OC)c1C 29955382 FWTWUJSOAUQOSC-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB Cc1ccc2nc(NC(=O)c3cccc(Nc4ncccn4)c3)sc2c1 30572586 BKDMTJCZJCCOPN-UHFFFAOYSA-N 361.430 4.391 0 40 FIAB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1OCC 30755693 IAFIKLBKNBXRCA-INIZCTEOSA-N 371.477 4.303 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 30938344 OMUZMDCJOALRNY-AWEZNQCLSA-N 364.823 4.469 0 40 FIAB CC(C)Cc1nc(CSc2nnc(NC3CCCCC3)s2)no1 31441638 VPQCDHDFNKGAGK-UHFFFAOYSA-N 353.517 4.157 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 32754130 BUXVJOUKKOLEBV-IBGZPJMESA-N 364.424 4.001 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccsc1 32795708 XAXXAFZXKIQVBP-GFCCVEGCSA-N 355.912 4.218 0 40 FIAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cccc2ncccc12 32882511 WTQMLSKCHBTSJR-UHFFFAOYSA-N 354.413 4.162 0 40 FIAB Cc1cccc(NC(=O)CSc2nccc(N3CCCCCC3)n2)c1C 33309963 YXQAVFHITWGEMV-UHFFFAOYSA-N 370.522 4.205 0 40 FIAB Cc1ccc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1 34862834 KXHBZVIBPNZIGK-XIRDDKMYSA-N 363.523 4.022 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 38755474 PZWODQWIQVPLKM-HNNXBMFYSA-N 355.434 4.393 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccco1 38755984 VUKRKTAOMKNCRA-OAHLLOKOSA-N 353.871 4.140 0 40 FIAB Cc1ccc(N(C(=O)c2cccs2)S(=O)(=O)c2ccccc2)cc1 40966672 CZPKJIXXFRZYDG-UHFFFAOYSA-N 357.456 4.092 0 40 FIAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(-c2ccc(F)cc2)n1 49006922 IUSCOERKINLFPC-UHFFFAOYSA-N 365.408 4.225 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1C 51364440 DFNZJWOBKDNSPW-SFHVURJKSA-N 358.441 4.462 0 40 FIAB Cc1cc(C)n(-c2ccc(CNCc3ccccn3)c(C(F)(F)F)c2)n1 58213847 WDOJYJTXIYZSHB-UHFFFAOYSA-N 360.383 4.193 0 40 FIAB COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)ccc1NC(C)=O 58356873 RLDQSMMVRUIYTC-CABCVRRESA-N 358.825 4.049 0 40 FIAB CCc1cccc(N2CCC(Nc3cc(C)nc(-c4ccncc4)n3)CC2)c1 60864257 NXLCIMJKSQHGIR-UHFFFAOYSA-N 373.504 4.490 0 40 FIAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCC(C)C)CC(O)=N2 61720338 UXVRLFJGUHKTTF-GFCCVEGCSA-N 361.467 4.352 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2ccsc2)nc1-c1ccccc1 61997222 RZLVUHPTKMGXIJ-UHFFFAOYSA-N 358.444 4.301 0 40 FIAB CCC(=O)[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C 64033472 KKGFLVSEDZXXOE-CLOONOSVSA-N 368.410 4.392 0 40 FIAB Cc1occc1CN(C)C(=O)C1(c2ccc3c(c2)OCO3)CCCCC1 64312275 KPKWWRMHQDVYTA-UHFFFAOYSA-N 355.434 4.177 0 40 FIAB Cc1cccc(Cl)c1NC(=O)COC(=O)Cc1ccccc1Cl 72331052 NVOMOBKPNMRXFL-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB FC(F)(F)c1cccc(-c2noc(CSc3ccc(Cl)nn3)n2)c1 84367258 UCZVUDCUYAEJLZ-UHFFFAOYSA-N 372.759 4.491 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(C)c1 95067953 YDMWKMQFSAXVKG-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(O)cc1)SCC(O)=N2 95475532 SBBJZGQPOQIDLO-QGZVFWFLSA-N 373.478 4.202 0 40 FIAB CCc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccco2)cc1 100423645 QHBDYLBWYSEEIL-RTBURBONSA-N 369.534 4.324 0 40 FIAB Cc1cccc(C[C@H]2CC(=O)N(c3nc4cc(C)ccc4s3)C2=O)c1 103442058 NLBLAFURFACCOJ-HNNXBMFYSA-N 350.443 4.035 0 40 FIAB O=C(CCC(=O)Nc1cccnc1)Nc1ccc(Oc2ccccc2)cc1 199423524 HQEPYWKRWSEUHR-UHFFFAOYSA-N 361.401 4.231 0 40 FIAB Cc1ccc(CSCCNC(=O)COc2cc(C)cc(C)c2C)cc1 218964650 XUFNKASOLDCRTB-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)COc1ccccc1C 219320838 MNYDLNCBOWSDHD-DOTOQJQBSA-N 361.869 4.390 0 40 FIAB CC(C)c1ccccc1OCC(=O)N1CCN(c2cccc(Cl)c2)CC1 222806829 KRDWJZBJMBAKED-UHFFFAOYSA-N 372.896 4.191 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223227140 XSNLRZJZERYTQT-HNAYVOBHSA-N 353.462 4.219 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2ccccc2C(C)C)c1 223781981 RZCBMNVQCNHOJP-UHFFFAOYSA-N 355.478 4.309 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)CSCc2ccc(Cl)cc2)c1 224054800 QWZZWEPKYSDJJE-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1CN1CCCC1 224787402 DQOQVUYKMSHGGW-NRFANRHFSA-N 366.505 4.065 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)[nH]1 224914957 ITSSZGXHYBBQKD-RTBURBONSA-N 366.465 4.343 0 40 FIAB Cc1nc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCCN3C)co1 257252715 JVVWKCZWKWMGHL-ONTIZHBOSA-N 367.493 4.203 0 40 FIAB O=S(=O)(NCc1cc(-c2ccco2)cs1)c1ccc(F)c(Cl)c1 1775968642 IRMUENLUZQHOJO-UHFFFAOYSA-N 371.842 4.279 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)N[C@@H]4CCCC[C@H]4C)sc3nc2c1 933897 GJAVYILJPXVOLZ-IAQYHMDHSA-N 369.490 4.349 0 40 FIAB CCOc1ccccc1OCC(=O)NC(c1ccccc1)c1ccccc1 956496 IRARWZQQRLKSOQ-UHFFFAOYSA-N 361.441 4.370 0 40 FIAB O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc(Cl)cc1 1084853 FQESTTOSKZZBNE-NTEUORMPSA-N 362.610 4.447 0 40 FIAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(OCC)cc3)n3ncnc3N2)cc1 2336109 HYYQHWHMDZOLQM-PMACEKPBSA-N 364.449 4.222 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1 2338693 MTYQGPUZOBIUHY-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB Cc1cc(OCn2ccc(C(=O)Nc3ccc(F)cc3)n2)ccc1Cl 2796520 SNJOHCWFMIECGE-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB COc1ccc(-c2nc(-c3ccc(OC)cc3)c(CC(=O)O)s2)cc1 2955992 WRJKYGUBCWICIK-UHFFFAOYSA-N 355.415 4.121 0 40 FIAB COC(=O)c1ccc(CSc2ncnc3sc4c(c23)CCC4)cc1 3236835 UNFCLAFTRCTMNV-UHFFFAOYSA-N 356.472 4.259 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(F)cc1Cl 3418130 UBJBODGKCXJMJM-UHFFFAOYSA-N 373.815 4.299 0 40 FIAB COc1ccc2oc(C(=O)OCc3nnc(-c4ccccc4)o3)c(C)c2c1 4524730 JZSWMXBNGZGADS-UHFFFAOYSA-N 364.357 4.157 0 40 FIAB Cc1ccccc1-c1noc(-c2ccc(I)cc2)n1 4685166 XHOJFTZMFJWXCU-UHFFFAOYSA-N 362.170 4.317 0 40 FIAB O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)C2CCCCC2)c1 4825985 FZRQMINBJBSBJX-UHFFFAOYSA-N 366.417 4.156 0 40 FIAB CC(=O)c1cccc(NCC(=O)Nc2ccc(Br)cc2C)c1 4904117 AQKKRFLSLGOXNS-UHFFFAOYSA-N 361.239 4.011 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(OCC)cc1 4910096 VEHQCBDPCNHEQS-IBGZPJMESA-N 351.406 4.024 0 40 FIAB COc1cc(NC(=O)c2ccccc2C)ccc1NC(=O)c1ccco1 5008316 HOBBAOZWKGXRAU-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB CCOc1c(Cl)cc(Cl)cc1CNCc1ccc2c(c1)OCO2 5019861 DXUXSMJPVYBIDL-UHFFFAOYSA-N 354.233 4.411 0 40 FIAB CCN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 5151111 LACRJXKDNNZHNF-UHFFFAOYSA-N 358.445 4.185 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccc(Cl)cc1 5373865 AURASCIMAVQDLY-UHFFFAOYSA-N 354.837 4.282 0 40 FIAB C[C@H](NC(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 5612325 GBQVABFNAPUVBE-SFHVURJKSA-N 373.452 4.239 0 40 FIAB Cc1c([C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c2ccccc2n1C 6235719 AMYVUJTUBHRBQA-KSFYIVLOSA-N 360.457 4.211 0 40 FIAB C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O 6468998 BLNHOUZISGDHSQ-NSHDSACASA-N 355.850 4.252 0 40 FIAB Cc1ccc2[nH]/c(=N/C(=O)c3cc(=O)c4cc(C)cc(C)c4o3)sc2c1 9089623 VOACHQYCINJRRO-UHFFFAOYSA-N 364.426 4.002 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3ccoc3)n2)c(C)n1C[C@@H]1CCCO1 9155673 AZCAEPUNZKJFDT-HNNXBMFYSA-N 371.462 4.253 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ncnc3ccsc23)c1 9478060 BKKAGJYWRVHVIJ-LLVKDONJSA-N 357.460 4.013 0 40 FIAB Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)cc1-n1cccc1 9732311 LPRLTGGLWUXUIP-UHFFFAOYSA-N 354.793 4.420 0 40 FIAB CN1C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2Oc2ccccc21 9827794 GEQMTCOAJACDNH-UHFFFAOYSA-N 362.360 4.460 0 40 FIAB O=C(c1ccc(OC(F)F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10545050 SCPFSZIEQGPBGJ-CQSZACIVSA-N 371.387 4.184 0 40 FIAB CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 12341529 MVGSNCBCUWPVDA-MFOYZWKCSA-N 372.417 4.032 0 40 FIAB world CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 12435697 JYZNBZVBOMMSOA-UHFFFAOYSA-N 372.852 4.485 0 40 FIAB COc1cc(OC)c(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC 12750816 HDMLXFYYXPCRQP-ZDUSSCGKSA-N 373.474 4.244 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(Br)cc1 12799444 MLZKAOXKKSRSQF-UHFFFAOYSA-N 372.222 4.070 0 40 FIAB CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3nccs3)c2C)cc1 12894559 LJWUMXMXTOQUAD-UHFFFAOYSA-N 354.431 4.015 0 40 FIAB CCc1ccc([C@H](NCc2ccc(C(N)=O)cc2)c2cccc(F)c2)cc1 12915639 ULSDEFCUCIJWCV-QFIPXVFZSA-N 362.448 4.366 0 40 FIAB C[C@H](Sc1nncc2ccccc12)C(=O)Nc1cccc2ncccc12 12982917 ZTGSEUDCMRDCLF-ZDUSSCGKSA-N 360.442 4.297 0 40 FIAB CN(Cc1ccco1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12996429 NIMWWNCNVVMZCM-UHFFFAOYSA-N 353.805 4.436 0 40 FIAB O=C1CCc2cc(OC(=O)Cc3ccc(-c4ccccc4)cc3)ccc2N1 13004844 XZHNOABJZCDJNC-UHFFFAOYSA-N 357.409 4.386 0 40 FIAB Cc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2cccc(C)c2)cc1 13006126 AQSKULNYZSNBHQ-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)O)c1 13094939 VHGBDFKTAUKZCW-SECBINFHSA-N 354.189 4.098 0 40 FIAB CCN(CC)S1=NC(c2ccccc2)=NC(C(Cl)(Cl)Cl)=N1 13113408 DOIKPCMDZMTILM-UHFFFAOYSA-N 365.717 4.189 0 40 FIAB CN(C)c1ccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13686847 DCDVTWZFPFZDAQ-UHFFFAOYSA-N 372.457 4.134 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1O 15011017 RGDIBFJESQWJBJ-AQTBWJFISA-N 369.442 4.070 0 40 FIAB CCCOc1ccc(NC(=O)COc2ccc(C)cc2)c2cccnc12 15840921 WCONGSYMTOUUBW-UHFFFAOYSA-N 350.418 4.350 0 40 FIAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(Cc3ccccc3C)CC[C@@H]21 19235225 ADNNTGAHQGZGKG-HJOGWXRNSA-N 362.517 4.140 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1cccc(OCn2cc(Cl)cn2)c1 20606038 STFRDLNOQGBDCL-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB Cc1ccc(OCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)cc1 22768761 PQEVRFXBEFKRQV-UHFFFAOYSA-N 362.385 4.091 0 40 FIAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2c(C)cccc2C)CC1 22921302 DNFZXQFGDAAMBU-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB COc1ccc(C)cc1NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 24217159 CSXCZMCPPQJLJO-MRXNPFEDSA-N 352.478 4.172 0 40 FIAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C2CC2)cs1 25558772 SXBAZJZKNZQEMW-GFCCVEGCSA-N 371.506 4.075 0 40 FIAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 27254042 OTPQGLXFOAOXAH-QAPCUYQASA-N 355.482 4.081 0 40 FIAB COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1 27795719 SVUOPVIWHXKROF-UHFFFAOYSA-N 355.365 4.040 0 40 FIAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccn(C2CCCC2)n1 28239521 ATPLVBFPPIKMHA-UHFFFAOYSA-N 355.829 4.090 0 40 FIAB C[C@H](OC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21)c1ccccc1Cl 31330236 YOLSDQXTZYDSBY-UONOGXRCSA-N 373.836 4.148 0 40 FIAB Cc1cc(C)c2c(C[P@](=O)(O)CCc3ccccc3)cc(=O)oc2c1 32124453 OSEWFJMHTFLYOR-UHFFFAOYSA-N 356.358 4.423 0 40 FIAB biogenic CCN(Cn1nc(Nc2ccccc2F)sc1=S)CC(F)(F)F 32913331 NYOFHZQKJZIYBM-UHFFFAOYSA-N 366.409 4.398 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)c(F)c2)cc1 36360712 YIMRCZJFERNPSD-CQSZACIVSA-N 355.344 4.283 0 40 FIAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccc(Cl)cc3Cl)C2=O)c1 36635488 PEHVCOAXAFCHKT-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)s1 39989103 UHVAXVPHGDFIEH-LLVKDONJSA-N 351.497 4.098 0 40 FIAB COc1cccc(CC(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 40107087 JMQNRLMWOUDFJL-UHFFFAOYSA-N 352.365 4.203 0 40 FIAB c1ccc(CC[C@@H]2CCCN2Cc2csc(-c3ncccn3)n2)cc1 48234370 CJIFTVGMCIBUHI-SFHVURJKSA-N 350.491 4.197 0 40 FIAB CC(C)Oc1ccc(CC[C@@H](C)Nc2ncc(C(N)=O)cc2Cl)cc1 48366170 XQJFQPLOYNQVPZ-CYBMUJFWSA-N 361.873 4.054 0 40 FIAB CCc1cccc(NC(=O)CSc2cc(-c3ccccn3)nc(C)n2)c1 49007093 OYSHJIDLPDQHAA-UHFFFAOYSA-N 364.474 4.140 0 40 FIAB C[C@H]1c2ccsc2CCN1Cn1nc(-c2ccccc2F)n(C)c1=S 52583882 WVKVKCHGMJSVDV-LBPRGKRZSA-N 374.510 4.395 0 40 FIAB C[C@H](CCc1ccco1)NC(=O)C1(c2cccc(Cl)c2)CCOCC1 53028499 WRJDRGZATHVGIH-OAHLLOKOSA-N 361.869 4.119 0 40 FIAB O=C(NC1(c2ccccc2)CCC1)c1ccc(NC(=O)c2ccco2)cc1 53473323 BJCVAUWITPUSOP-UHFFFAOYSA-N 360.413 4.341 0 40 FIAB CN(Cc1nc2ccccc2c(=O)[nH]1)C1c2ccccc2-c2ccccc21 57024598 GSLAJHIBWLXPNO-UHFFFAOYSA-N 353.425 4.125 0 40 FIAB CC[S@](=O)c1ccccc1C(=O)OCc1ccc(Cl)cc1Cl 57651959 KKGKXVNOCCAFEF-JOCHJYFZSA-N 357.258 4.478 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)Nc1nnc(-c2ccsc2)s1 58163075 GMUKSFOZXNIYGW-UHFFFAOYSA-N 374.472 4.164 0 40 FIAB Cc1nc(NCCCc2nc(C(C)C)no2)c2c3c(sc2n1)CCC3 63507496 VTIZWYAIUSSXGQ-UHFFFAOYSA-N 357.483 4.040 0 40 FIAB Cn1c(/C=C2/SC(=O)NC2=O)ccc1-c1cc(Cl)cc(Cl)c1 67299958 JVUATCKPAWXVHX-NTUHNPAUSA-N 353.230 4.323 0 40 FIAB c1ccc(COc2ccc(CNC[C@@H]3COc4ccccc4C3)cc2)nc1 68258263 JLQGANGYTFVNMM-LJQANCHMSA-N 360.457 4.002 0 40 FIAB COc1ccc(CN2C[C@@H](c3ccn[nH]3)[C@H](c3ccccc3)C2)c(C)c1C 72395190 IMNRJLMNFJCOCH-LEWJYISDSA-N 361.489 4.418 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2cnn3Cc2cccs2)c(OC)c1 72405621 ZAEBYFPNDYHJTD-HNNXBMFYSA-N 369.446 4.134 0 40 FIAB CC(C)c1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(O)c1 76486468 WHIUYGMRHURPMY-NRFANRHFSA-N 353.462 4.101 0 40 FIAB Cn1cc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)ccc1=O 84314484 RILACBGNMNNURB-UHFFFAOYSA-N 374.868 4.104 0 40 FIAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCCC[C@H]2OCCC(C)C)c1 89941786 RRMMJWCNFXNKMN-RTBURBONSA-N 360.498 4.139 0 40 FIAB Cc1cc(Nc2ncnc3c2cnn3-c2ccccc2)nn1[C@@H](C)C1CC1 96009794 DQZQOEKYTPYIAQ-AWEZNQCLSA-N 359.437 4.035 0 40 FIAB CC[C@@](CNC(=O)c1cccc(C(F)(F)F)c1)(OC)c1ccccc1 96123724 VIIMMQUSZLJWFT-SFHVURJKSA-N 351.368 4.387 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccccc1OC(C)C 96222685 YSGBVMRJEDBNPB-INIZCTEOSA-N 364.397 4.330 0 40 FIAB biogenic O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1Cl 101276668 WPLXMYQOZJCFSG-ZDUSSCGKSA-N 369.635 4.391 0 40 FIAB O=C(Nc1ccccc1Br)c1ccc(-n2cccn2)c(F)c1 103723316 QMVFGNRBLAUEHK-UHFFFAOYSA-N 360.186 4.026 0 40 FIAB O=C(c1noc2c1CCCCC2)N1CCCc2cccc(OC(F)F)c21 153407120 HETFBXLPVFMVFD-UHFFFAOYSA-N 362.376 4.138 0 40 FIAB O=C(C(=O)N1CCS[C@H](c2ccccc2)CC1)c1c[nH]c2ccccc12 206986918 OYWNOSAGJBCXIJ-IBGZPJMESA-N 364.470 4.057 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)oc1ccccc12 211051165 JKKPXZLNSGBVKM-LBPRGKRZSA-N 354.406 4.438 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOCc1ccccc1 224460463 YTEBTTODNYPNEI-QFIPXVFZSA-N 363.457 4.330 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224675877 MAEKOGYIFYUBJQ-IBGZPJMESA-N 366.505 4.065 0 40 FIAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 224956710 CRBGVRMURPKORT-UHFFFAOYSA-N 353.871 4.126 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)COc3cc(C)cc(C)c3)s2)cc1 225175429 MXUGKHMRERNPOE-UHFFFAOYSA-N 353.447 4.148 0 40 FIAB Cc1nc(/C=C2/SCCN2C(=O)COc2ccccc2Cl)cs1 225257939 PPIUTTASMJKLGF-LZYBPNLTSA-N 366.895 4.058 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2)c(C)c1 225385389 MGPLWYUEAFGBTC-UHFFFAOYSA-N 356.491 4.091 0 40 FIAB CC(C)Sc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 225648466 INHCCVFYYQFDBG-UHFFFAOYSA-N 359.929 4.423 0 40 FIAB Cc1cccc(N2CCC(N(CC(=O)O)Cc3cccc(Cl)c3)CC2)c1 257218975 DFBRYEXMMRUECZ-UHFFFAOYSA-N 372.896 4.204 0 40 FIAB CC(C)c1cc(C(=O)N2CCC(C)(c3ncc(Cl)s3)CC2)on1 257280057 OJGSULZPEPPKDZ-UHFFFAOYSA-N 353.875 4.102 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)/C=C/c2ccsc2)c2cccs2)n1 575609431 BQDNZWGZANOLIJ-SQRWCISFSA-N 357.504 4.042 0 40 FIAB O=C(c1cc(-c2ccccc2)on1)N1CCC(Oc2ccsc2)CC1 575617956 BVTPYEWGNMZGTB-UHFFFAOYSA-N 354.431 4.087 0 40 FIAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cc(-c2cccs2)[nH]n1 585149444 SMTHODMUURYFPW-KRWDZBQOSA-N 373.503 4.097 0 40 FIAB CCn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N(C)c1ccccc1C(C)C 622872852 QWJOYOVIQIXWKP-IEBWSBKVSA-N 355.482 4.157 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1776009615 MKJCFMPJAMHZHM-HOTGVXAUSA-N 373.884 4.089 0 40 FIAB c1c2c(nn1CC1CC1)[C@@H](COCC1CC1)CN(CC1CCCCC1)C2 2055751294 FYBIHJVYIIAXAL-OAQYLSRUSA-N 357.542 4.199 0 40 FIAB COc1ccc(N[C@@H]2C[C@@H](C)Nc3cc(OC)c(OC)cc32)cc1OC 874273 LBVFUEZLSIEYAH-IUODEOHRSA-N 358.438 4.078 0 40 FIAB CCCOC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1 1769989 LNITWYDKPVNJRK-UHFFFAOYSA-N 368.385 4.226 0 40 FIAB biogenic CCCCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 1778860 VPCKUJAYWVRGKG-UHFFFAOYSA-N 352.386 4.182 0 40 FIAB biogenic Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2F)c1C 2723066 RBKGAWOKNDTTNW-UHFFFAOYSA-N 373.428 4.498 0 40 FIAB O=C(OCC(=O)N1CCCCCC1)c1cccc(Oc2ccccc2)c1 3331814 OCXFSWWNVJZZGA-UHFFFAOYSA-N 353.418 4.038 0 40 FIAB COc1ccc2c(c1)CCc1c(C(=O)Nc3cccc(Cl)c3)noc1-2 3909499 RQDJRFDPGHUJFT-UHFFFAOYSA-N 354.793 4.355 0 40 FIAB Fc1ccc(CNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 3912266 NZFZBOFXVSTFHF-UHFFFAOYSA-N 353.788 4.220 0 40 FIAB Cc1ccccc1-c1nsc(SCC(=O)NCc2ccc(F)cc2)n1 4167485 OZRRQPUUTXLLAC-UHFFFAOYSA-N 373.478 4.061 0 40 FIAB CCN(Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)C(C)C 4230405 BBVNHCGPLDMUDD-FQEVSTJZSA-N 367.472 4.080 0 40 FIAB COc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1cccs1 4487794 OSWCNXKZQQMHPR-UHFFFAOYSA-N 370.405 4.400 0 40 FIAB CCCC[C@H](C)Cn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1 4549896 JZFZPWHNNHTUGO-LBPRGKRZSA-N 366.918 4.002 0 40 FIAB CC(C)[C@H](NCCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 4650915 SDPSRWQRMDXBED-FQEVSTJZSA-N 366.513 4.189 0 40 FIAB CCc1ccc(CN2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc1 4745014 WIFMXZVPDQOTKW-HSZRJFAPSA-N 362.517 4.046 0 40 FIAB COCCN(C(=O)C1CCCCC1)c1nnc(-c2ccccc2C)s1 4982455 FWSJGSNDOPBPSO-UHFFFAOYSA-N 359.495 4.073 0 40 FIAB C[C@@H](Sc1nccn1-c1cccc(F)c1)C(=O)N1CCc2ccccc21 5263580 NAVKDIXJSFMCMX-CQSZACIVSA-N 367.449 4.081 0 40 FIAB Cc1ccc(C)c(NC(=O)c2cccn(Cc3ccccc3Cl)c2=O)c1 5269892 KNSKEQBMHCJOOO-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB COc1ccccc1CNC(=O)COc1ccc(Oc2ccccc2)cc1 5292823 DNLNLJSDRNZZSJ-UHFFFAOYSA-N 363.413 4.183 0 40 FIAB Cc1cccc(/C=C/c2cc(/C=C/c3cccc(C)c3O)[nH]c(=O)n2)c1O 5530246 RDCUCDSUWMPSRW-WGDLNXRISA-N 360.413 4.139 0 40 FIAB COc1ccc(-c2nnc(S[C@H](C)c3ccccc3Cl)n2N)cc1 6100732 BQVKLFNHGILZGL-LLVKDONJSA-N 360.870 4.174 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2cccc(F)c2)cc1 6429833 NIZRMEJZDWNKMF-JLHYYAGUSA-N 355.409 4.363 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7724216 OTGGLDCIALFDSY-GOSISDBHSA-N 358.441 4.394 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 7736391 LYLHGBKRGBSAII-MRXNPFEDSA-N 355.463 4.197 0 40 FIAB Cc1ccc(C(=O)Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 8040457 WGVQLVYRLPMGST-UHFFFAOYSA-N 354.409 4.255 0 40 FIAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCCc2ccccc21 8185208 OJAFRAKZJMYUMR-UHFFFAOYSA-N 368.440 4.073 0 40 FIAB Fc1ccc(-c2nc(CSc3nnnn3C3CCCC3)cs2)cc1 8391630 VIOKBXFPTVPTPT-UHFFFAOYSA-N 361.471 4.343 0 40 FIAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)CC(C)C)cc2)n1 9573379 VUVHKKVTWGYOAC-UHFFFAOYSA-N 355.486 4.359 0 40 FIAB Cc1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)n1 10056671 AKDIHYRZYRUMHZ-UHFFFAOYSA-N 361.405 4.228 0 40 FIAB CC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 10089476 WNVVPDXABRGZAF-AWNIVKPZSA-N 365.429 4.208 0 40 FIAB Cc1ccc(/C=C/C(=O)N2CCc3sccc3C2)c(Br)c1 10923334 SNHOTOLVAUQZNT-SNAWJCMRSA-N 362.292 4.417 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 12538914 OXHJMQZKBGKXJQ-AWEZNQCLSA-N 366.273 4.308 0 40 FIAB Cc1sc(NC2CCCCC2)nc1-c1ccc(NS(C)(=O)=O)cc1 12630306 XMFYGVQAQGDPQY-UHFFFAOYSA-N 365.524 4.235 0 40 FIAB Cc1noc(-c2ccc(C(=O)Nc3cc(C(C)(C)C)ccc3O)cc2)n1 12736474 JEJMYHUHOAKYGN-UHFFFAOYSA-N 351.406 4.300 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1nc(SCc2ccccc2)ns1 12770111 HVVNOTIFYDYPFL-VAWYXSNFSA-N 353.472 4.482 0 40 FIAB O=C(NCc1ccccc1OC(F)F)c1csc(-c2cccs2)n1 12793227 LEZRSYIYMQGWOK-UHFFFAOYSA-N 366.414 4.403 0 40 FIAB O=C(COc1cccc(Oc2ccccn2)c1)NCCC1=CCCCC1 12814013 DHVOEJISWVHRKV-UHFFFAOYSA-N 352.434 4.259 0 40 FIAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)ccc12 12911454 AOPKKFWIXPCCSH-GFCCVEGCSA-N 357.793 4.161 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 12976433 HDWUKPQFZRIGIG-ZTLYHTANSA-N 366.505 4.141 0 40 FIAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1cccc(Cl)c1 13086082 FOJHHEMVICOWDJ-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB O=c1c2oc3nc4c(cc3c2ncn1CCCc1ccccc1)CCCC4 13135612 DXQJBFHFTJDPBL-UHFFFAOYSA-N 359.429 4.049 0 40 FIAB CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@H]1c1ccc(OC)cc1 14608098 ZMDSNISFDKENPG-LJQANCHMSA-N 364.449 4.324 0 40 FIAB CCN1CCc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C1 15880161 XDKHLSZHVFZAPG-UHFFFAOYSA-N 356.278 4.080 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@@H](C)n2ccnc2C(C)C)c2cccnc2)cc1 19136601 IJJOHLAXJREWSS-YLJYHZDGSA-N 362.477 4.177 0 40 FIAB CCc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(F)cc1)CO3 20403827 AUKTZQQRKDMJHX-UHFFFAOYSA-N 367.420 4.198 0 40 FIAB CCc1n[nH]c(SCC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)n1 21587697 BVYCFUAYEDYHDG-UHFFFAOYSA-N 368.462 4.199 0 40 FIAB CN(C)[C@H](CNC(=O)NCc1cccc2ccccc12)c1ccsc1 22766928 OPLOWWZJMDBKMH-LJQANCHMSA-N 353.491 4.003 0 40 FIAB O=C(OCc1nc(-c2cccs2)no1)C1(c2cccc(F)c2)CCCC1 23221433 QXUMNICEZHWBOP-UHFFFAOYSA-N 372.421 4.492 0 40 FIAB Cc1cc(C(=O)Cn2cnc3cc(F)c(F)cc32)c(C)n1-c1nccs1 24427502 AVKUOARYFSFSMA-UHFFFAOYSA-N 372.400 4.061 0 40 FIAB C[C@H](CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1)c1ccccc1 24896766 VHDXYQUOYCYGTL-MRXNPFEDSA-N 359.429 4.466 0 40 FIAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)NCCC1=CCCCC1 25213769 XIQGULPASXEIRF-CYBMUJFWSA-N 356.388 4.392 0 40 FIAB C[C@H](Nc1nc2ccccc2s1)C(=O)NCCSCc1ccccc1 28439617 ZEGWFKQESCHOAE-AWEZNQCLSA-N 371.531 4.146 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccccc2F)c2ccccc2)cc1 30849093 JZMIESPTZKLAHA-NRFANRHFSA-N 369.461 4.343 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1C 30855088 IAVNZTMGEHQHMN-MRXNPFEDSA-N 368.477 4.238 0 40 FIAB O=c1ccc(C(F)(F)F)cn1Cc1csc(Nc2ccccc2)n1 31625512 PSNQFFZMEAUFJQ-UHFFFAOYSA-N 351.353 4.116 0 40 FIAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@@H]2C)OCO4)c1 31860854 NRMLCSNFBPYZRW-GBSMKCJWSA-N 367.445 4.006 0 40 FIAB Cc1ccc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1 34862831 KXHBZVIBPNZIGK-BHYGNILZSA-N 363.523 4.022 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)o1 35270927 HPICLOFKJZZLCS-MPSQCAORSA-N 369.505 4.290 0 40 FIAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)c1 36370389 YKSSBHDJIUVGOV-JKIFEVAISA-N 370.522 4.181 0 40 FIAB CC(=O)c1cc(C(=O)Nc2ccccc2N2CCc3ccccc3C2)n(C)c1 36395009 CXJHZHCTJDNHEL-UHFFFAOYSA-N 373.456 4.043 0 40 FIAB Cc1nccn1C[C@H]1CCCN(Cc2ccccc2N2CCCCC2)C1 36752911 DPBAZJNSGLGGGH-FQEVSTJZSA-N 352.526 4.094 0 40 FIAB O=C(c1ccc(F)cc1)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38903508 RJCZNNUKIXKVSR-UHFFFAOYSA-N 369.371 4.035 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1cccc(CN2CCCC2)c1 46374850 MICIHWMBNJXPCI-KRWDZBQOSA-N 354.519 4.079 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1 47081080 JTAHRKXAVLVIFF-HNNXBMFYSA-N 356.491 4.288 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)cc2c1 48368617 ZRNOAAOYAWZINO-LLVKDONJSA-N 374.387 4.297 0 40 FIAB CCCn1cc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1=O 48369170 VRWDQAPVDHUFNO-HNNXBMFYSA-N 364.445 4.162 0 40 FIAB COc1ccccc1NC(=O)C1CCN([C@H]2CCCc3ccccc32)CC1 62582091 VFYPDIKMYIIOSI-NRFANRHFSA-N 364.489 4.423 0 40 FIAB CSc1ccc(CN2Cc3ccccc3C[C@@H]2c2nnc(C)o2)cc1 69414957 HCQRBXDYVKTERK-LJQANCHMSA-N 351.475 4.400 0 40 FIAB Cc1ccc2nc(NC(=O)[C@H]3CCCN3C(=O)C3CCCCC3)sc2c1 71851808 BCWBXMSKBFLRRR-MRXNPFEDSA-N 371.506 4.115 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(F)(F)F 72307893 ZCXLGURUDBOKSL-JJMVLAAESA-N 352.356 4.292 0 40 FIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)c2ccccc2)n1 72378861 WLEVMWABLHIWCT-LJQANCHMSA-N 360.461 4.368 0 40 FIAB C[C@H]1CN(c2ccc(Nc3ncnc4sccc34)cc2F)C[C@H](C)O1 89936836 NFVZYMGSOVPUOZ-RYUDHWBXSA-N 358.442 4.188 0 40 FIAB O=C(NCCc1ccccc1)NCc1ccc(C(=O)c2cccs2)s1 90610605 UFEUDTGWMIHTSX-UHFFFAOYSA-N 370.499 4.083 0 40 FIAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Nc1ccccc1Cl 95450175 SFRXXZQRISZQDT-CYBMUJFWSA-N 367.877 4.251 0 40 FIAB CC(C)N(Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)cc1)C[C@@H]1CCCCO1 95986094 UQVOMRMVIYDFTC-BHDDXSALSA-N 370.537 4.451 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)OCCCOc3ccccc3)c12 97139566 MUNGRKPXTCCOLT-UHFFFAOYSA-N 352.390 4.035 0 40 FIAB Cc1c([C@@H](C)NC(=O)N2CCO[C@H](c3ccco3)C2)oc2ccccc12 122124403 PPNHOGANYZSMIN-KDOFPFPSSA-N 354.406 4.178 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 219069895 YHMLDGBZJJYTNF-SJLPKXTDSA-N 353.462 4.489 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1C)c1ccc(OC)c(OC)c1 219314549 WNPCZYUAWKEFGI-ZWKOTPCHSA-N 371.477 4.437 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1Cl 222969160 VTUPWFIQQIRTMG-UHFFFAOYSA-N 369.852 4.163 0 40 FIAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 223853328 DKCAIVMMWRUMMY-MRXNPFEDSA-N 373.324 4.427 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(C)cc3C)s2)cc1 224939881 FEPPHRNRSYWJRI-UHFFFAOYSA-N 353.447 4.012 0 40 FIAB COC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl 225344884 VACBEYVBUHFZNQ-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)s1 225526075 MCUUJQNFJSMPPY-CYBMUJFWSA-N 365.524 4.371 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCCC1 225626450 MKFOKWVQILAGBD-GOSISDBHSA-N 374.525 4.085 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCC1 225626520 BMKGXLUUUTYHJR-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)N[C@H](C)CC 225722028 WHPXRPWVSYAPRP-WBMJQRKESA-N 373.324 4.425 0 40 FIAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cccc(F)c3)oc12 226270560 GAJZQNVANSCULL-UHFFFAOYSA-N 352.287 4.467 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)[C@@H]1C 248049476 APIOFWMIYQNSTG-RKGSWTEASA-N 364.574 4.429 0 40 FIAB Cc1cc(C)nc(N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)n1 257213079 CGCCOXOOWFHJHN-OAQYLSRUSA-N 358.489 4.463 0 40 FIAB Cc1noc(Cl)c1CCC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 331547020 QGKVHAABHYMSAH-CQSZACIVSA-N 366.820 4.127 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 408780971 OXLHIMOXIYZYQK-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)c1Cl 409127096 CTGVJQRTBGMSPH-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CN(Cc1ccc2oc(C(=O)O)cc2c1)[C@@H]1CCCN(c2ccccc2)C1 563278046 NLQNJKIAEAGYTM-LJQANCHMSA-N 364.445 4.232 0 40 FIAB CCn1c(CN2CC[C@@H](c3ccccc3C)C2)nc2cc(C(=O)O)ccc21 572609640 WZVNQBFHLSYINN-QGZVFWFLSA-N 363.461 4.052 0 40 FIAB COc1ccccc1NC(=O)C1CCN(Cc2ccccc2C2CC2)CC1 584908319 NCDBXRQTQBFJDZ-UHFFFAOYSA-N 364.489 4.423 0 40 FIAB CCCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)s1 815612 CKXOWRRUYLSLMQ-MRVPVSSYSA-N 360.266 4.203 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(Br)cc2F)c1C 1088476 AGUJSWUQRJJHFQ-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB CSc1ccc(-c2cc(N[C@H](Cc3ccccc3)C(=O)O)on2)cc1 1096017 IPVDCXFBZTXRAF-QGZVFWFLSA-N 354.431 4.171 0 40 FIAB O=C(Nc1ccccc1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 1391118 JOFGSWDSUNDRTH-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CCC(=O)C(CC)(c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1 1677720 IKCMGESKFZLMGO-UHFFFAOYSA-N 368.429 4.212 0 40 FIAB biogenic,in-vitro Cc1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C)cc2)cc1 1795171 VNJKMBDDDMFQCL-UHFFFAOYSA-N 352.478 4.024 0 40 FIAB c1ccc2c(c1)CCO[C@@H]2CNc1ncnc2sc3c(c12)CCCC3 2308444 MEFSQSRLAOZKOI-MRXNPFEDSA-N 351.475 4.296 0 40 FIAB CCCCCCn1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21 2399632 NUNMKILMMFSOII-UHFFFAOYSA-N 354.454 4.314 0 40 FIAB COc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)ns2)cc1 2917532 MVRNWBXNTNGOFQ-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)nc(Cl)c1 3245229 NCIBUNAWAJPDJM-UHFFFAOYSA-N 373.623 4.146 0 40 FIAB CCCCNC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 3248223 IVTZDKGKGONBAS-UHFFFAOYSA-N 360.262 4.281 0 40 FIAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402266 FEAFCVCXHIMKLO-CQSZACIVSA-N 374.554 4.177 0 40 FIAB CCN(CC(=O)NC(C)(C)C)C(=O)c1oc2c(ccc3ccccc32)c1C 3409271 FSSFRSWEAUCCIQ-UHFFFAOYSA-N 366.461 4.271 0 40 FIAB COc1ccc(-c2nnc(SCc3nnc(-c4cccs4)o3)o2)cc1 3436749 RFMLGXVZFRHIRF-UHFFFAOYSA-N 372.431 4.149 0 40 FIAB COc1ccc(C)cc1NC(=O)CNc1ccccc1N1CCCCC1 3445306 ZLXBXYIPJNPDRR-UHFFFAOYSA-N 353.466 4.045 0 40 FIAB CSc1nc(N2CCN(c3ccccc3Cl)CC2)c2ccccc2n1 4053878 OBMKABNHORJNQU-UHFFFAOYSA-N 370.909 4.332 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)[nH]c2c1 4252291 ZZLQORDHKYPDCZ-LLVKDONJSA-N 351.431 4.416 0 40 FIAB CC(C)CCOC(=O)/C(=C\c1ccccc1)NC(=O)/C=C/c1ccccc1 4545243 WVSXACFPDOACSQ-SBNHJGEYSA-N 363.457 4.446 0 40 FIAB CCN1CCc2c(sc3c2C(O)=N[C@@H](/C(C)=C/c2ccccc2)N3)C1 4556162 LMCBATZLGJTGNM-IYPOZPNPSA-N 353.491 4.286 0 40 FIAB O=c1c2ccccc2nc(S)n1-c1cc(C(F)(F)F)ccc1Cl 4864087 QFBWCEZBUXPNJM-UHFFFAOYSA-N 356.756 4.347 0 40 FIAB COc1ccc(CCNCc2c(OC)ccc3ccccc23)cc1OC 5246618 DNAHVUHMDMCMFB-UHFFFAOYSA-N 351.446 4.198 0 40 FIAB COc1ccc(-c2nn(CN3CCCC3)c(=S)n2-c2ccccc2)cc1 5335462 LMMOVDGQIJCLHS-UHFFFAOYSA-N 366.490 4.132 0 40 FIAB Cc1cc(=O)oc2cc(OC[C@@H]3CC(c4ccccc4Cl)=NO3)ccc12 5396068 YZHNMIZHIMEJFS-AWEZNQCLSA-N 369.804 4.327 0 40 FIAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2c2ccco2)c(C)c1 5484234 SSSNFVWKOFYCJZ-QFIPXVFZSA-N 374.440 4.326 0 40 FIAB CCn1c([C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)n[nH]c1=S 6226031 VJCJDZKOHWPANG-LBPRGKRZSA-N 373.309 4.394 0 40 FIAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12 6370638 QPVPXZYQFUQFGH-OAQYLSRUSA-N 356.381 4.344 0 40 FIAB Cc1cc(Br)cc(Cl)c1OCC(=O)NCc1cccs1 6862424 ZIWUUSLNKCWIPZ-UHFFFAOYSA-N 374.687 4.168 0 40 FIAB Cn1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 6969646 ULIGKKGICHAMSI-CPNJWEJPSA-N 362.454 4.457 0 40 FIAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COc1ccc2ccccc2c1 7984611 SSWYUZDSMCPMSU-ZDUSSCGKSA-N 351.368 4.408 0 40 FIAB Cc1sc2nc(CSc3nnc(-c4ccccc4)o3)nc(N)c2c1C 8720613 NSTGYMLQMSRUFN-UHFFFAOYSA-N 369.475 4.233 0 40 FIAB CC(C)[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccccc1 11274510 IAEUHKQDOFFFLC-QGZVFWFLSA-N 354.431 4.116 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)OCc1csc(-c2ccccn2)n1 12231031 UVVWKLBXSUPXRV-UHFFFAOYSA-N 363.442 4.362 0 40 FIAB Cc1ccc(-c2nc(Cn3c(C(F)(F)F)nc4ccccc43)no2)cc1 12519816 DHWWISJCVMVKBF-UHFFFAOYSA-N 358.323 4.462 0 40 FIAB O=C(c1cn2ccccc2n1)N(CCc1cccs1)Cc1cccs1 12548323 UIMXBVUENZJWRH-UHFFFAOYSA-N 367.499 4.342 0 40 FIAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc2c(c1)OCCCO2 12749057 MGCZTDXNFTWIED-UHFFFAOYSA-N 360.822 4.363 0 40 FIAB CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 12888313 HWJGJJJPHYEIPP-GOEBONIOSA-N 374.510 4.135 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3cccc(Cl)c3)c12 14262132 IMSRANSWQGTQRR-UHFFFAOYSA-N 367.792 4.375 0 40 FIAB CC[C@H](C(=O)Nc1ccc(C)cc1C)n1nnc(-c2ccc(Cl)cc2)n1 15190275 LFEMNSPQTCPNEI-QGZVFWFLSA-N 369.856 4.200 0 40 FIAB Cc1c(C(=O)Oc2cccc3cccnc23)oc2c1[C@H](O)CC(C)(C)C2 16740261 CMGUMHRDJVXOCO-CQSZACIVSA-N 351.402 4.361 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc12 19942977 ROCXHSKDXRIFLC-HOTGVXAUSA-N 361.507 4.295 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c1C 20040965 ADIBXFNVNKDTKJ-INIZCTEOSA-N 355.434 4.195 0 40 FIAB O=C(NC1CC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20738991 RTHDPLZROMAOIK-OAQYLSRUSA-N 374.484 4.412 0 40 FIAB CCCCCc1nnc(NC(=O)c2ccc(Br)s2)s1 20989120 NNRURTFYEZUWLK-UHFFFAOYSA-N 360.302 4.347 0 40 FIAB Cc1cccc2sc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)nc12 24980024 OLKJZYZGBSTEHI-CQSZACIVSA-N 365.458 4.134 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1 27969621 CDSPYPRZEULBJU-UHFFFAOYSA-N 355.825 4.236 0 40 FIAB CCc1ccc(OCc2ccc(C(=O)Nc3cc(C)nn3CC)o2)cc1 28245595 IFAAOTIIOCYWCZ-UHFFFAOYSA-N 353.422 4.198 0 40 FIAB Cc1cccc(C(=O)N[C@H](C(=O)N(C)Cc2ccc(Cl)cc2)C(C)C)c1 29004479 ZHAQIYZZBOVHFW-IBGZPJMESA-N 372.896 4.061 0 40 FIAB O=C(CC1CCCC1)Nc1ccnn1Cc1ccc(Br)cc1 32744753 OIWNGAPACUGPSU-UHFFFAOYSA-N 362.271 4.213 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(OCc2cccs2)cc1 32815534 PKUBGFSNZYMCBN-UHFFFAOYSA-N 353.399 4.308 0 40 FIAB O=C(NCCNc1nc2ccccc2s1)c1occc1-c1ccccc1 32828084 LISPWGKFODIMEK-UHFFFAOYSA-N 363.442 4.398 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2c(C)cccc2C)n1 33000080 FUIAGWBHVHXIDE-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CN2CCC[C@@H]3CCCC[C@H]32)c1 36491386 XDYKPDWQBQHKHQ-QFBILLFUSA-N 360.498 4.077 0 40 FIAB CCCCCc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1 40103908 QDAFSJIRMVSYTG-UHFFFAOYSA-N 366.509 4.164 0 40 FIAB Cc1cc(C(=O)c2ccc(I)cc2)ccc1Cl 43210110 CBPMLCMDVODISY-UHFFFAOYSA-N 356.590 4.484 0 40 FIAB CCCOc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 44875007 JMUCYDYQQAQRPW-UHFFFAOYSA-N 366.505 4.391 0 40 FIAB CC(C)(C)c1nc(CN2CCC(c3nc4ccccc4s3)CC2)no1 45810348 UWCRWYLGBVDTQT-UHFFFAOYSA-N 356.495 4.356 0 40 FIAB COc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2CCC(C)C)cc1 49466907 GNZCLLYZCXYADJ-VQTJNVASSA-N 367.445 4.107 0 40 FIAB Brc1ccc([C@H]2CN(c3nc4ccccc4o3)CCO2)cc1 63254910 WRVULPYMFXRGCU-MRXNPFEDSA-N 359.223 4.168 0 40 FIAB Cc1cc(C)c(C(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1C 67206119 ZIGIBAIDTBRNTO-UHFFFAOYSA-N 356.897 4.270 0 40 FIAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 67299152 SCQUWZXOFDABOP-GYHWCHFESA-N 374.396 4.202 0 40 FIAB C[S@](=O)c1ccc(C(=O)Nc2ncccc2OCC2CCCCC2)cc1 69351018 MTDKLDCZJJKNSP-AREMUKBSSA-N 372.490 4.030 0 40 FIAB CCc1cccc(C)c1NC(=O)CN(C)[C@H]1CCCN(c2ccccc2)C1 72308350 FEIMROCCVQPFJW-NRFANRHFSA-N 365.521 4.097 0 40 FIAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(F)cc3)s2)cc1 73239933 FBKJOPDHEQQNEE-NYYWCZLTSA-N 355.394 4.005 0 40 FIAB CCOc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)c(C)c1 79146676 DHZIQDFZMZUTAL-UHFFFAOYSA-N 353.447 4.473 0 40 FIAB COc1cccc([C@@H](C)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 81670201 BYMLOKFFUFOEPZ-OAHLLOKOSA-N 364.449 4.081 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)c1ccccc1CN1CCSCC1 85651683 OCSFCPFLSUFPIY-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB CCc1ccc(C(=O)Nc2sccc2C(=O)N2CCCSCC2)cc1 89284741 UMGYWXMLUKPFRC-UHFFFAOYSA-N 374.531 4.142 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 89927466 YZTZSPKENDEKTI-IRXDYDNUSA-N 351.494 4.047 0 40 FIAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccccc1 95469771 NYIHFECTWNIQOE-CYBMUJFWSA-N 365.458 4.438 0 40 FIAB Cc1nc(C)c(-c2nn3c(-c4cccc(Cl)c4F)nnc3s2)s1 95478658 ABARYKLOMDIOJX-UHFFFAOYSA-N 365.846 4.386 0 40 FIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)CC2=O 100748932 NHOOMFMCKXKJQI-IRXDYDNUSA-N 350.256 4.173 0 40 FIAB O=C(C[C@H]1OCCc2ccccc21)Nc1scnc1-c1ccccc1 115049740 CETMUJUTVKBCBV-QGZVFWFLSA-N 350.443 4.453 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1C 219514686 OPRGKJWCICIAKZ-VQIMIIECSA-N 353.462 4.489 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 222879016 KFDNVGWYPOHCFC-IBGZPJMESA-N 355.434 4.140 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222976458 JOGPTAAXVXFYQC-HOTGVXAUSA-N 353.462 4.219 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(F)cc1 224130186 BZIIUXZKDRNBPP-OAHLLOKOSA-N 359.441 4.086 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(NC(C)=O)c1 224995355 ZAPVEETWPVNJLK-NRFANRHFSA-N 366.461 4.320 0 40 FIAB COc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1 225313711 CSYKZJRYAOHVSH-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB C[C@H]1CCCN(CCCNC(=O)CCc2c(Cl)cccc2Cl)C1 225362080 KNDSQMMMLNPCJE-AWEZNQCLSA-N 357.325 4.164 0 40 FIAB COC1CN(c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)C1 239593136 DQUBAYPJLPOOCW-UHFFFAOYSA-N 365.355 4.184 0 40 FIAB O=C1S/C(=C\c2cccc3nccnc23)C(=O)N1c1ccc(F)cc1 256055604 MSTILOCNRGHWBN-GDNBJRDFSA-N 351.362 4.010 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C 408561037 WEDDGOHLYFYIDC-UHFFFAOYSA-N 373.309 4.195 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSc1ccc(C)cc1 408703342 PVALIYYWYYOPAO-IBGZPJMESA-N 359.491 4.070 0 40 FIAB O=C(CCc1cnc[nH]1)N1CCC[C@H](Cc2csc3ccccc23)C1 505177026 QDFFARGJRCUICD-OAHLLOKOSA-N 353.491 4.038 0 40 FIAB CN(C(=O)c1ccc(SC2CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 544010373 MBMDTQCGCMMCAR-IBGZPJMESA-N 366.530 4.288 0 40 FIAB CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(Cl)c(C(F)(F)F)c1 576148440 FZBMKWCPOUOCAN-ZDUSSCGKSA-N 362.823 4.240 0 40 FIAB CCc1ccc([C@@H](C)CC(=O)NC2(c3noc(C)n3)CCCCC2)cc1 606166782 MYVNFKQUHQNGMX-HNNXBMFYSA-N 355.482 4.410 0 40 FIAB COc1cccc([C@H](C(=O)O)N2CCC(c3c[nH]c4ccccc34)CC2)c1 634690937 XDGNHUOLOAETGP-OAQYLSRUSA-N 364.445 4.182 0 40 FIAB CO[C@H]1C[C@@H]2CN(C3CCCC3)C[C@@H]2C[C@@H]1n1c(C)nc2ccccc21 2332242708 KBMGYGMGCRJNNT-YVCBRDFCSA-N 353.510 4.185 0 40 FIAB Cc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 902358 CJLFVOBRCHBLTJ-UHFFFAOYSA-N 367.805 4.250 0 40 FIAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 1246198 QTHLSQIMYXFHAK-UHFFFAOYSA-N 358.488 4.057 0 40 FIAB CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 1426372 VPEJBPMMUJJQNF-UHFFFAOYSA-N 358.444 4.359 0 40 FIAB Cc1ccccc1Cc1nnc2sc([C@@H](C)Oc3ccc(F)cc3)nn12 2183300 PFWIWQMOHQTREH-CYBMUJFWSA-N 368.437 4.364 0 40 FIAB CCc1ccc(NC(=O)CSc2nccn2-c2ccc(OC)cc2)cc1 2723183 YIZNTQKZNXDQGI-UHFFFAOYSA-N 367.474 4.174 0 40 FIAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c(OC)c1 2915383 DFEGEERILWPTDS-SJORKVTESA-N 370.840 4.095 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)c1cccc(Br)c1 3240567 FGKBHCQVJNIDRW-UHFFFAOYSA-N 353.599 4.142 0 40 FIAB O=C(CSc1nc2ccc(Cl)cc2o1)Nc1ccc(F)cc1F 3427538 OIEYOCFNFJVPNL-UHFFFAOYSA-N 354.765 4.490 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)c1cccc(I)c1 3517522 MCIJONZUCKSUAL-UHFFFAOYSA-N 363.198 4.032 0 40 FIAB CCCCC1=NN(C(=O)CCCc2ccccc2)[C@@](O)(C(F)(F)F)C1 4265774 UVNAXNFNYNWLST-KRWDZBQOSA-N 356.388 4.039 0 40 FIAB CCCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12 4267261 MOJWKNYAXDUQAJ-UHFFFAOYSA-N 352.390 4.432 0 40 FIAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 4385362 ABLASXBUSVHREN-UHFFFAOYSA-N 357.410 4.426 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 4736811 IJKGVPRWDWNUHV-UHFFFAOYSA-N 360.369 4.461 0 40 FIAB CCC[C@H]1O[C@@H](c2cc3c(cc2Br)OCO3)OC[C@@H]1CC 4769137 NHIDCHKHWNMAEV-WNMQOVRZSA-N 357.244 4.418 0 40 FIAB Cc1cc2cc(C)c(NCCNC(=O)c3ccc(F)cc3)nc2cc1C 4848610 WPTYPNGLWNEMAJ-UHFFFAOYSA-N 351.425 4.141 0 40 FIAB CC(C)NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255528 ORONWYGCRTWNNA-UHFFFAOYSA-N 363.533 4.483 0 40 FIAB CCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2[C@H](C)CC 5675291 ZOQBVMFKJDLGCC-BZNIZROVSA-N 361.467 4.383 0 40 FIAB CCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(C(F)(F)F)n1 5870117 DTZQLRWEZWETGP-MRVPVSSYSA-N 362.398 4.268 0 40 FIAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)c1c[nH]c2ccccc12 5937475 HILNEXDXCQMTHI-UHFFFAOYSA-N 363.200 4.097 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 6084383 MSYLIQBBZCSDMZ-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 6461097 FIYPUQPUJJRUOQ-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCC(C(C)(C)C)CC1 6500336 XIIWTAZMWCFPEN-QQFBHYJXSA-N 361.482 4.418 0 40 FIAB COC(=O)c1ccc(Cl)cc1NC(=O)Cc1coc2cc(C)ccc12 6509988 PYOBQROFRJKRHW-UHFFFAOYSA-N 357.793 4.362 0 40 FIAB COc1ccc2c(CC(=O)Nc3ccccc3N3CCCC3)coc2c1 6608518 NETZWHQJWUNLPE-UHFFFAOYSA-N 350.418 4.223 0 40 FIAB C#C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 6624007 LFSRETZWVUHKLB-TVTJZYCKSA-N 356.506 4.245 0 40 FIAB biogenic CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2 6630654 PNOBYFCCHIMDEH-STXHMFSFSA-N 363.413 4.388 0 40 FIAB COc1ccc(C(=O)/C=C/c2ccccc2I)cc1 6641709 RLOPPYZWXSBINV-DHZHZOJOSA-N 364.182 4.196 0 40 FIAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(COc2ccccc2)cc1 6653318 MWQFUJHSWWIEME-UHFFFAOYSA-N 357.413 4.072 0 40 FIAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccc2c(c1)CCC2 6932742 AROTZERQFNSJLG-UHFFFAOYSA-N 364.228 4.278 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCOc2ccccc21 7268901 BBUQVUANSMDEDV-ABAIWWIYSA-N 366.244 4.401 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1Cc1ccccc1 7842686 QBNOLWWBLYHBGC-UHFFFAOYSA-N 372.468 4.366 0 40 FIAB COc1ccc(C(C)=O)cc1COc1ccc(NC(=O)c2ccco2)cc1 8039870 ZKDHPEDYPPNOGM-UHFFFAOYSA-N 365.385 4.322 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 9741461 MTUDPZFCDZCASW-NRFANRHFSA-N 371.864 4.361 0 40 FIAB COc1ccc(Cl)cc1NC(=O)/C=C/c1cc(F)cc2c1OCOC2 10031800 ZTFBZZFFXFJZKP-GORDUTHDSA-N 363.772 4.006 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N(CC)CC)cc1 10324375 NBZDIKMZZSEILB-UHFFFAOYSA-N 352.478 4.302 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cc2ccccc2[nH]1 11251260 BSIQWVCLMRTWFI-UHFFFAOYSA-N 362.351 4.177 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)C1=C(c2ccccc2)SCCO1 12391296 FQRVRFOPQNYGHO-UHFFFAOYSA-N 358.488 4.093 0 40 FIAB COc1cccc(-c2nc(C)c(C(=O)Nc3ccccc3)s2)c1OC 12615141 DZIIVIWKALPNEF-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COCc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)oc2ccccc12 12739368 YWRYILBYIRIEKQ-UHFFFAOYSA-N 364.405 4.157 0 40 FIAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 12797374 SSDAUXOPECKTCS-MRXNPFEDSA-N 362.429 4.410 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(-c2nccs2)cc1 12847709 MKRNNAIQVUPKNR-UHFFFAOYSA-N 371.487 4.020 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)[C@H](C(=O)NC1CC1)c1ccccc1 12853536 WYNYKVKJDKSQGE-SFHVURJKSA-N 363.288 4.445 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)cc1Cl 13125519 UHFJXSWBDOUCLR-UHFFFAOYSA-N 371.824 4.313 0 40 FIAB Cn1c(Sc2ncnc3ccsc23)nnc1-c1ccccc1Cl 14084766 NUGPBLPSSWCNHO-UHFFFAOYSA-N 359.867 4.291 0 40 FIAB COc1c(CC=C(C)C)c(O)cc(O)c1-c1coc2cc(O)ccc2c1=O 14762985 SSDIPYMSXRNGMZ-UHFFFAOYSA-N 368.385 4.094 0 40 FIAB endogenous,in-man Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(-c2ccccc2)cc1 14824535 VUZTXRAVBACQSM-UHFFFAOYSA-N 365.454 4.318 0 40 FIAB CCCOc1ccc(NC(=O)COc2ccc(F)cc2)c2cccnc12 15840919 BSSSGGMRMWQLET-UHFFFAOYSA-N 354.381 4.180 0 40 FIAB C[C@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)C[C@@H](C)O1 17325752 KLQRPACVHLIESS-GASCZTMLSA-N 359.853 4.168 0 40 FIAB Cc1noc(C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18157330 SMWQPSOEOZPQIW-UHFFFAOYSA-N 372.428 4.074 0 40 FIAB COc1ccccc1-c1cc(NC(=O)c2cc3cc(C)ccc3o2)n(C)n1 19221398 MZOMVXVKXYAYHX-UHFFFAOYSA-N 361.401 4.403 0 40 FIAB CN1Cc2ccccc2OC2(CCC(N(C)C(=O)[C@H]3CC=CCC3)CC2)C1 19590843 WEUQVRVNUBVQTQ-QRGRWYIGSA-N 368.521 4.007 0 40 FIAB C[C@@H](CC(=O)NCC1(c2ccccc2Cl)CC1)n1cnc2ccccc21 19659805 WKJNQFOOFBXFKQ-HNNXBMFYSA-N 367.880 4.489 0 40 FIAB CC(C)(C)OC(=O)Nc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 19735932 DCKRGRKAIQVCGD-UHFFFAOYSA-N 372.446 4.225 0 40 FIAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 20451167 NLOLJQWODKBUNI-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc3ccccc3c2)c1 20454606 KXPFHHATTBRDKG-UHFFFAOYSA-N 374.849 4.117 0 40 FIAB CCOc1cccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 20460564 LFFHKDBCZNZPLW-HNNXBMFYSA-N 361.869 4.439 0 40 FIAB CN(C)CCNCC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 20572787 IMRVQAZSRCSPTM-LJQANCHMSA-N 372.475 4.074 0 40 FIAB Cc1cccc([C@H]2CC(=O)c3cn4nc(-c5ccccc5)nc4nc3C2)c1 20796040 OWZRFJBCZBPHIC-QGZVFWFLSA-N 354.413 4.012 0 40 FIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc(Cl)ccc1F 22418223 MZFGHUCZKSVBHA-UHFFFAOYSA-N 361.722 4.350 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccco2)o1 23156660 XGDNESZNMXMCHH-UHFFFAOYSA-N 370.752 4.199 0 40 FIAB O=C1Nc2ccccc2[C@@H]1CCNc1ncnc2sc3c(c12)CCCC3 23258106 VXWXTMYPNIAZDD-ZDUSSCGKSA-N 364.474 4.108 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3cc(F)ccc3F)s2)cs1 24753593 ABSBJVALCDNRKK-UHFFFAOYSA-N 364.442 4.431 0 40 FIAB CCCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)c1 27794336 WEHIYXAAAYPKOH-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB Cc1nc(-c2ccccc2)c(C(=O)N2CCO[C@H](c3ccccc3)C2)s1 27908494 ZMDKTNUBFJYCCH-SFHVURJKSA-N 364.470 4.332 0 40 FIAB O=C(/C=C/c1ccccc1Cl)N1CCCN(Cc2cccs2)CC1 28037898 ZQYRUXPBIJFIKQ-CMDGGOBGSA-N 360.910 4.149 0 40 FIAB CCN(CC)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29482555 RNJGSDJNVDGACI-NRFANRHFSA-N 351.494 4.091 0 40 FIAB COc1cc2ccccc2cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 32983600 ZMGXAURLYSWZFQ-FQEVSTJZSA-N 366.436 4.020 0 40 FIAB O=C(Nc1cc(Cl)cc2cccnc12)[C@H]1CC(c2cccc(F)c2)=NO1 33166515 SOCKPRHDXKSMOY-QGZVFWFLSA-N 369.783 4.159 0 40 FIAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)c(Cl)cc1Cl 33906623 LDEYLEJOWGGUOO-UHFFFAOYSA-N 356.274 4.443 0 40 FIAB O=C(c1ccc(Cl)c(Cl)c1)N1CCCN(Cc2cccs2)CC1 36396269 CTYAQAFRZCPWHK-UHFFFAOYSA-N 369.317 4.403 0 40 FIAB C[C@H](CCc1ccc(O)cc1)NC(=O)Nc1ccccc1N1CCCC1 40103767 XEEOHUSZANWTIR-MRXNPFEDSA-N 353.466 4.135 0 40 FIAB Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc1F 41077022 DOLVCSGLORUHFK-UHFFFAOYSA-N 367.424 4.418 0 40 FIAB Cc1ccc(C)c(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 44845064 LSPNJNJWVBBETC-UHFFFAOYSA-N 356.897 4.157 0 40 FIAB COc1cc([C@@H]2SCC(O)=Nc3[nH]nc(C)c32)ccc1OC1CCCC1 44893957 UCSSNUCFCWHZEF-SFHVURJKSA-N 373.478 4.472 0 40 FIAB Cc1nc(C)c([C@@H](C)NC(=O)N[C@H]2CCCOc3ccc(F)cc32)s1 54783100 SCONRDUCAKIQNA-ABAIWWIYSA-N 363.458 4.173 0 40 FIAB Cc1cc(C(=O)Nc2nc(-c3ccccc3)ns2)c2ccc(F)cc2n1 55410486 SCHXGICRELFFIU-UHFFFAOYSA-N 364.405 4.453 0 40 FIAB Cc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)c1 64471726 UZLQWEPFURCLIW-UHFFFAOYSA-N 363.486 4.476 0 40 FIAB Cc1ccc(F)c2c1N(C(=O)CCCc1nc(C(C)(C)C)no1)CCC2 66787110 PLZLCKMRAQXRGI-UHFFFAOYSA-N 359.445 4.117 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 69158240 SYVNMDRIFHSLTB-AWEZNQCLSA-N 368.408 4.299 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)c1cccs1 69491010 NNYHNOFQEBEIBN-KSSFIOAISA-N 372.534 4.490 0 40 FIAB Cn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 71785108 IHDFXAYYAHEPNS-OPYQBUFSSA-N 364.489 4.036 0 40 FIAB Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72218711 HQLJJNLWBMRENN-LJQANCHMSA-N 353.466 4.320 0 40 FIAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1nnc(C(C)(C)C)s1 72272726 FRVZAUDKPHOGBV-UHFFFAOYSA-N 365.528 4.032 0 40 FIAB CC(C)[C@@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 72273628 JRRKIGBOPLENBG-INIZCTEOSA-N 366.490 4.256 0 40 FIAB CCc1nnc(-c2ccc(NC(=O)CSc3ccccc3C)cc2)o1 72304682 WGCRDTUGEJMRRY-UHFFFAOYSA-N 353.447 4.338 0 40 FIAB COc1cccc(CN2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1OC 72390166 RUAOCHLAMNLDQJ-HNNXBMFYSA-N 371.462 4.152 0 40 FIAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1CC 72414622 WQIRLYSLJYMXNE-INIZCTEOSA-N 353.528 4.470 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cnc1Cl 79061438 IZPJDGOFVXWNON-UHFFFAOYSA-N 368.739 4.002 0 40 FIAB C[C@H](c1cccnc1)N(C)Cc1csc(COc2ccc(F)cc2)n1 93227225 ACNACJPZUCMEAT-CQSZACIVSA-N 357.454 4.449 0 40 FIAB CC(C)[C@H](CNC(=O)C(C)(C)[C@@H](O)c1ccc(O)cc1)c1ccccc1 95436657 BAGNJWRVOARSSP-PMACEKPBSA-N 355.478 4.008 0 40 FIAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccccc1)C2 100425846 AHJHZVDIVFVXOM-NHCUHLMSSA-N 364.489 4.011 0 40 FIAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 100446779 RJEZDBBJBYPFBJ-UEVCKROQSA-N 374.528 4.356 0 40 FIAB Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCCC2)cc1C 101892802 SZTNWCNYHHFBBP-UHFFFAOYSA-N 358.445 4.241 0 40 FIAB CN(C(=O)c1cnc(C(C)(C)C)s1)C1CCN(Cc2ccccc2)CC1 113094360 FXIUIPWQDDWKCP-UHFFFAOYSA-N 371.550 4.177 0 40 FIAB Cc1ccc([C@@H]2CCCCCN2C(=O)CCn2cnc3ccccc32)o1 151310429 GDNKHYJLLRXJPV-IBGZPJMESA-N 351.450 4.472 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 168980349 DXSSEPJIIDGBJX-UHFFFAOYSA-N 351.830 4.075 0 40 FIAB COc1ccc(CNC(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1 206910081 QYCUFHOGRQTNOF-UHFFFAOYSA-N 372.428 4.332 0 40 FIAB COc1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1C(C)C 222802477 WQSMIFVDANOXFA-UHFFFAOYSA-N 369.486 4.450 0 40 FIAB COc1cccc2cc(C(=O)NCCOc3ccc4ccccc4c3)oc12 223607789 ROJKERFRQGWSEB-UHFFFAOYSA-N 361.397 4.403 0 40 FIAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)c1 224518215 KHSJHZJXKMYXKG-ROUUACIJSA-N 367.499 4.329 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCCCCC1 225712324 GVVKQASWBBIERA-UHFFFAOYSA-N 369.889 4.433 0 40 FIAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 257313528 UTADVVGQSDLMRJ-IPJJNNNSSA-N 357.542 4.187 0 40 FIAB COc1ccc(/C=C\C(N)=O)cc1OCc1ccc(Cl)c(Cl)c1 361634194 UNKFUYRMVZZYGQ-DAXSKMNVSA-N 352.217 4.080 0 40 FIAB O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408671932 UNTZYLZOIDWSAB-INIZCTEOSA-N 365.816 4.452 0 40 FIAB CN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 408813909 FAPTVGHPRVGXAW-ZDLGFXPLSA-N 366.417 4.495 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)Nc1cc(C(C)C)nn1Cc1ccccc1 521366917 QOOIZZUUXBTUIJ-UHFFFAOYSA-N 352.442 4.039 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)Cc2ccccc2Cl)c2cccs2)n1 575611464 VJHBRUPEUWZPTG-QGZVFWFLSA-N 373.909 4.163 0 40 FIAB O=C(O)Cn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(F)cc1 575628200 ZPAYZVZHPPSMOG-UHFFFAOYSA-N 362.813 4.326 0 40 FIAB C[C@H]1CCN(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[C@@H](c2ccco2)C1 676164107 AAMFVWLLWQQFFS-SUMWQHHRSA-N 352.434 4.123 0 40 FIAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(CC3CC3)C[C@@H]1CCO2 1534646088 BGSFOJHQFGOOLQ-OALUTQOASA-N 356.510 4.269 0 40 FIAB CN(Cc1cccc(O)n1)C(=O)Nc1ccc2c(c1)C(C)(C)CC2(C)C 1623460261 CTXWCRSUMOFBNV-UHFFFAOYSA-N 353.466 4.410 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Oc2ccccc2Br)cc1C 1775971408 PKOWWOABJPPXRY-UHFFFAOYSA-N 355.253 4.142 0 40 FIAB O=C(NC1(OC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 1590658 HASCTMGFRLSUFR-UHFFFAOYSA-N 350.201 4.070 0 40 FIAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c(C)c1 2184756 DKGNOACUXQGVLV-UHFFFAOYSA-N 366.442 4.132 0 40 FIAB NC(=O)c1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1Br 2323055 GLWOXIKAKWQKHI-UHFFFAOYSA-N 371.209 4.416 0 40 FIAB Cc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl 3255135 CNSXEMIKHXNKGO-UHFFFAOYSA-N 373.869 4.124 0 40 FIAB aggregator CCCn1nc(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2c1=O 3280299 QTABKEUERMMLTB-UHFFFAOYSA-N 355.825 4.021 0 40 FIAB COc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)ccc1OC(F)F 3325684 GGDBQZZHRGMVPY-UHFFFAOYSA-N 356.394 4.303 0 40 FIAB COc1ccccc1NC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1 3331915 FVKSFGPGNFQAEB-UHFFFAOYSA-N 374.440 4.220 0 40 FIAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc2ccccc2c1 3362159 IGRTUICURDOPIJ-UHFFFAOYSA-N 351.387 4.214 0 40 FIAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1cc(Cl)ccc1Cl 3396862 XHGRWCMXUFDOAB-QMMMGPOBSA-N 374.170 4.456 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 3893142 QQJAQFQBFGFSCD-GFCCVEGCSA-N 372.490 4.011 0 40 FIAB Cc1cc2cc(CNC(=O)COc3ccc4ccccc4c3)ccc2n1C 4061552 XMVQSXKSCOSGPA-UHFFFAOYSA-N 358.441 4.335 0 40 FIAB COc1cccc(NC(=O)CCCc2nc(-c3ccc(C)cc3)no2)c1 4433864 QCBOYZWFAUNSLH-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4)nc32)cc1Cl 6205983 IDOIAVOMPDZWJM-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CCc1ccc(-c2n[nH]c(SCCOc3ccc(OC)cc3)n2)cc1 6359257 KETLHZYSUDOZDN-UHFFFAOYSA-N 355.463 4.214 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1 6510659 XFOWDLHMCKRFSO-FQEVSTJZSA-N 371.440 4.133 0 40 FIAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccc3ccccc3c2)c1 6886865 PCLBHIWLGYTCMQ-FMIVXFBMSA-N 361.397 4.044 0 40 FIAB Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(C(=O)O)cc1 6961561 SIEAKYJDYKXZKG-XDHOZWIPSA-N 358.397 4.285 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 7003083 YJAYNELEXGSPRJ-INIZCTEOSA-N 353.466 4.125 0 40 FIAB C[C@H](NC(=O)CSc1nc2ccccc2[nH]1)c1cc2ccccc2o1 7221738 BFFUZXKYCAMILX-LBPRGKRZSA-N 351.431 4.279 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1)c1ccccc1 7405008 WMBAVUYNJOMVIS-HTAPYJJXSA-N 366.505 4.330 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 7504953 GPNOQEKSTQHKJZ-UHFFFAOYSA-N 365.477 4.067 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cccc(C)c2C)c1 7716783 UFWSFOLIPIJOBP-FQEVSTJZSA-N 368.477 4.096 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1COc2ccccc2O1 7725342 KSTRGKAGUDFKPT-HXUWFJFHSA-N 371.396 4.008 0 40 FIAB O=S(=O)(c1ccc(CSc2nc3ccccc3o2)cc1)C(F)F 9390168 FZXUIXIZNDFHFR-UHFFFAOYSA-N 355.387 4.116 0 40 FIAB O=C(Cc1cn2ccsc2n1)N[C@@H](c1ccc(F)cc1)c1cccs1 9889897 MRJWLNGJZNGLDK-KRWDZBQOSA-N 371.462 4.045 0 40 FIAB O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)c1ccccn1 11915852 WKPMDPNLRVRVTQ-UHFFFAOYSA-N 352.821 4.347 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)c1 12422192 XSRUBARZFBWOFT-UHFFFAOYSA-N 372.808 4.193 0 40 FIAB CCCCn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12541165 KIDLYXSPDAJKLH-QGZVFWFLSA-N 365.452 4.492 0 40 FIAB COc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1OC 12800160 VEFGVQWLAIOJLF-UHFFFAOYSA-N 363.816 4.301 0 40 FIAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C)cc1)O[C@@H](C)C2 12811408 QAYZWAFBEKPOSY-GJZGRUSLSA-N 354.450 4.156 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 12854661 YFPSEFOIZBUWGR-INIZCTEOSA-N 370.518 4.429 0 40 FIAB C[C@H](CC(=O)Nc1nc2ccccc2nc1N1CCCC1)c1ccccc1 12879829 KXUUEKSCFZWEMP-MRXNPFEDSA-N 360.461 4.362 0 40 FIAB Cc1ccc2c(CC(=O)NC[C@@H](c3cccs3)N(C)C)coc2c1C 12986717 LQGYNCJCLJMQSS-KRWDZBQOSA-N 356.491 4.073 0 40 FIAB COc1cc(C(C)=O)ccc1OCc1cc(Cl)c2c(c1)OCCCO2 14318155 GLIUSNUEJBLTBR-UHFFFAOYSA-N 362.809 4.292 0 40 FIAB CCCSc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 19907214 QZTRJUCFASNIAG-UHFFFAOYSA-N 370.547 4.334 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 20030037 XULKKTCIVZGHNP-SFHVURJKSA-N 359.491 4.175 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)N[C@H](c3cccs3)C(C)C)CC2=O)c1C 21494399 WFGNTDWCZZNSOQ-JXFKEZNVSA-N 370.518 4.231 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(Nc2ncccn2)c1 24549633 LHSPKZBIKXIXOC-UHFFFAOYSA-N 368.824 4.443 0 40 FIAB Cc1cc(NC(=O)c2cccc(Nc3ncccn3)c2)ccc1N1CCCC1 24980342 ISYRXBQIFHUROO-UHFFFAOYSA-N 373.460 4.381 0 40 FIAB COc1ccc([C@H](NC(=O)/C=C/c2ccc3c(c2)CCO3)C(C)C)cc1 25158202 UOJNAVVWIZPRLH-NCZOVAKNSA-N 351.446 4.157 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2cccc(OC)c2)cc1Cl 27397087 WZGXXSMQRQZMEX-UHFFFAOYSA-N 374.868 4.012 0 40 FIAB CC(C)(C)c1cc(NC(=O)CSc2ccccc2Br)on1 29745066 KSKUVDXYQDEQNL-UHFFFAOYSA-N 369.284 4.465 0 40 FIAB COc1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 29903681 UMWHWVQCTZRIEW-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB O=C(Nc1ccc2c(c1)CCO2)c1ccccc1C(=O)c1ccc(F)cc1 30370791 UUXKSTRQORWQNF-UHFFFAOYSA-N 361.372 4.244 0 40 FIAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1ccc(-c2ccccc2F)o1 32502365 ITNNZUFFGGNEPR-CQSZACIVSA-N 359.382 4.041 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1nc(Cl)ccc1Cl 32762016 LNILWOXPMJBEQM-LBPRGKRZSA-N 370.305 4.017 0 40 FIAB O=C1c2cccc3c(Cl)ccc(c23)N1C[C@@H](O)COc1ccc(F)cc1 32809007 IQWWFOSERHAXKW-CYBMUJFWSA-N 371.795 4.032 0 40 FIAB Cc1ccc(OCc2nc(C(=O)Nc3nc(C)c(C)s3)cs2)cc1 32841490 GRZSLZJVFCBCBW-UHFFFAOYSA-N 359.476 4.356 0 40 FIAB Cc1sc2[nH]c(-c3ccc(Sc4ccccn4)o3)nc(=O)c2c1C 33644345 OLFCHQKACYWUHM-UHFFFAOYSA-N 355.444 4.408 0 40 FIAB Cc1cc2ncn(C[C@@H](O)COc3ccc(Cl)cc3Cl)c2cc1C 36751012 KERTZEHGEJDRHL-CQSZACIVSA-N 365.260 4.400 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)s1 39989141 BACREXVJRCSOBW-JTQLQIEISA-N 371.915 4.408 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1ccnc(Oc2ccccc2)c1 40106872 AIULGEIFGYEBBP-UHFFFAOYSA-N 352.821 4.386 0 40 FIAB COc1cccc(CNC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c1 40138960 BVUKXODZBYULGW-OAQYLSRUSA-N 361.445 4.021 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1csc(NCc2ccco2)n1 44889795 PKCJDWFNJONYFG-UHFFFAOYSA-N 356.432 4.210 0 40 FIAB FC(F)Oc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)CCO3 57718761 XJDQBAAFYIMGKN-UHFFFAOYSA-N 356.372 4.231 0 40 FIAB O=S(=O)(c1ccc(F)cc1F)N(C1CC1)[C@H]1CCCc2ccccc21 58229566 MTDUKRYNQRJXJY-SFHVURJKSA-N 363.429 4.196 0 40 FIAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)NCc2ccco2)cc1 67295342 RWKNZXCYDXBJJF-GYHWCHFESA-N 358.397 4.497 0 40 FIAB CC(C)(C)n1cc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)cn1 68292529 CFRRRZQLVMFHIR-HNNXBMFYSA-N 359.495 4.162 0 40 FIAB CSc1nc(Cl)cc(NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 72203266 GTZCCSXWTWHMRI-NSHDSACASA-N 372.922 4.053 0 40 FIAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2cnc3ccccc3c2)n1 72322179 LMOYOOFYYQVNEU-SFHVURJKSA-N 351.450 4.094 0 40 FIAB biogenic,in-vitro CCc1ccc(CNC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1 72333911 SUGQSXZITLIYME-UHFFFAOYSA-N 366.244 4.029 0 40 FIAB Cc1cc(C)c2oc(C(=O)Nc3ccc(Br)cc3)cc(=O)c2c1 72427512 ZKUKJZOCVPUCPS-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB Cc1ccc(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1F 78899696 IOLHEQQOHAJEHI-QGZVFWFLSA-N 372.440 4.381 0 40 FIAB COC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)cc1 79335396 SDQFTGDWLAIVQY-UHFFFAOYSA-N 355.781 4.319 0 40 FIAB O=C(CCc1ccc(Cl)cc1)NCCc1nc2cc(F)ccc2s1 84397949 ICKKDCMSEKTEDK-UHFFFAOYSA-N 362.857 4.380 0 40 FIAB O=C(Nc1cccnc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 84514474 RBMPEPMXBHFMFY-UHFFFAOYSA-N 354.413 4.246 0 40 FIAB CCc1ccc([C@H]2COCCN2C(=O)N[C@H]2CCCc3sccc32)o1 136622940 SDEQKRFQRZHVFZ-JKSUJKDBSA-N 360.479 4.064 0 40 FIAB O=C(NCc1ccc([C@@H](O)c2ccco2)s1)c1ccc(Cl)s1 206683936 LUZIQBLDVWMSBZ-AWEZNQCLSA-N 353.852 4.068 0 40 FIAB C[C@@H](NC(=O)c1cnc(-c2ccc(F)cc2)nc1)c1ccc(Cl)cc1 222618086 VIZYUBLJBFMBDJ-GFCCVEGCSA-N 355.800 4.427 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)c1 224308857 SREGEWQFZWNMQQ-VQTJNVASSA-N 362.502 4.214 0 40 FIAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)cc1 224867381 ZYFFFXRRTSPKRO-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 225871278 PYNWZKYRFGCMNY-UHFFFAOYSA-N 367.518 4.144 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2CCCC[C@@H]2C)c(C)cc1N 226331618 GKRMYNGMYFUGIZ-HNNXBMFYSA-N 353.466 4.217 0 40 FIAB Cc1cccnc1Nc1cc([C@H]2CCCN2Cc2cscn2)ccn1 257229212 FXEZZSVIHBQDKQ-QGZVFWFLSA-N 351.479 4.322 0 40 FIAB CCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257244116 IJXWDABIPUIUOD-KRWDZBQOSA-N 362.857 4.009 0 40 FIAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCCC1)c1ccccc1Cl 408530881 JSTLNOGFLFCSGB-UHFFFAOYSA-N 370.840 4.165 0 40 FIAB COc1cccc(Oc2ccc(C(=O)c3ccc4c(c3)OCCO4)cc2)c1 408617699 DLCKXQZPKCLDLH-UHFFFAOYSA-N 362.381 4.490 0 40 FIAB COc1ccccc1N(Cc1ccccc1C)S(=O)(=O)c1ccccc1 408622223 BJZGCECPJMHAMQ-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB C[C@@H](Nc1nc2nonc2[nH]c1=Nc1ccc(Cl)cc1)c1ccccc1 408719484 FGXVEUHHJOWIGI-LLVKDONJSA-N 366.812 4.005 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](c4ccccc4)[C@H]4CCC[C@@H]43)n[nH]2)o1 561133194 DDQRQEXFRFNOCV-HLIPFELVSA-N 361.445 4.386 0 40 FIAB O=C(NCc1cc(-c2ccccc2)ncn1)c1ccc(C(F)(F)F)cc1 585358397 UTYZWXHZBUHIGB-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB O=C(CCCCCn1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 604419072 VFNPGQKECXPTAD-UHFFFAOYSA-N 374.912 4.212 0 40 FIAB CC(C)(C)OC(=O)N(CCOc1cccc(C(=O)O)c1)Cc1ccccc1 2037879960 ZHGAYKHBIPQAJA-UHFFFAOYSA-N 371.433 4.201 0 40 FIAB O=C(Nc1ccccc1Br)c1ccccc1Br 823366 SEFVGKWKTNOEKJ-UHFFFAOYSA-N 355.029 4.464 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)cc1Br 1317677 WSVCXGNAHAKUDO-OGETYJQASA-N 352.272 4.166 0 40 FIAB CCOC(=O)c1nnc(-c2cccs2)nc1Oc1ccc(Cl)cc1 1397867 YBXAQSUCNHMZIA-UHFFFAOYSA-N 361.810 4.223 0 40 FIAB N=C(NC(=O)c1ccc(Cl)c(Cl)c1)Nc1nc2ccccc2s1 2277711 VBOBJOSSXDNWQL-UHFFFAOYSA-N 365.245 4.380 0 40 FIAB Cc1nc2[nH]c(SCc3ccc(F)cc3)nc2cc1Br 2446426 WKTUCDLWYFURJT-UHFFFAOYSA-N 352.232 4.460 0 40 FIAB O=C(CNc1ccc(Cl)cc1F)Nc1cccc(Br)c1 3413145 BZRRGEAVDIOWKI-UHFFFAOYSA-N 357.610 4.292 0 40 FIAB O=C(CSc1nc2ccccc2o1)N1CCC(Cc2ccccc2)CC1 3618900 NFLVRYQJNBXTPT-UHFFFAOYSA-N 366.486 4.401 0 40 FIAB COc1ccc(NC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 4176495 DXAOEHGRBNSMAW-UHFFFAOYSA-N 369.402 4.191 0 40 FIAB O=C1O[C@H]2[C@H](O1)[C@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 4742636 BFKQJUMZSIYBEW-BAMDZGJYSA-N 356.377 4.122 0 40 FIAB CCCCCCc1cc2cc(C(=O)Nc3ccccn3)c(=N)oc2cc1O 4785537 OSTKIXCFOHZHJZ-UHFFFAOYSA-N 365.433 4.388 0 40 FIAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)NCc1ccco1 4849440 PVKVCFLDGAEHKP-UHFFFAOYSA-N 354.475 4.416 0 40 FIAB CCOc1ccc(-c2nnc3sc(/C=C/c4cccs4)nn23)cc1 5032172 CSIOROHABSTQQW-MDZDMXLPSA-N 354.460 4.483 0 40 FIAB COc1cc(OC)cc(-c2nnc(SCCOc3ccccc3C)o2)c1 5435327 UMLXOUWRVANBMK-UHFFFAOYSA-N 372.446 4.233 0 40 FIAB COc1ccccc1NC(=O)CSCc1cccc(Br)c1 5556025 MCJLFIIYIVLJSI-UHFFFAOYSA-N 366.280 4.330 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)c2cc(C)sc2C)c1 5768598 HCAQFVILCRUBPE-UHFFFAOYSA-N 373.474 4.127 0 40 FIAB C[C@@H]1CCc2sc(NC(=O)c3ccc4ccccc4c3)c(C(N)=O)c2C1 6468283 JJIGPNFCVJAQGG-GFCCVEGCSA-N 364.470 4.377 0 40 FIAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@@H]1CCCO1 6665615 FQKJROJAGJDCNQ-HNNXBMFYSA-N 366.465 4.176 0 40 FIAB Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3Cl)n2)cc1 6767198 MBWPEBCCKNLACT-AWEZNQCLSA-N 367.836 4.072 0 40 FIAB COc1ccc2nc(SCCCc3nc(-c4ccccc4)no3)[nH]c2c1 7240622 ULZSGBAHWUJJGD-UHFFFAOYSA-N 366.446 4.346 0 40 FIAB CSc1ccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 7380409 LEKDGIDSTPEDAY-GFCCVEGCSA-N 356.516 4.353 0 40 FIAB O=C(CN(Cc1ccco1)Cc1ccco1)N[C@@H]1CCCc2ccccc21 7726250 LAQBDYMSEJGREW-OAQYLSRUSA-N 364.445 4.069 0 40 FIAB Cn1c(SCC(=O)N[C@H]2CCSc3ccccc32)nc2ccccc21 7738526 HSWNMRYDORHOCE-AWEZNQCLSA-N 369.515 4.019 0 40 FIAB Cc1cc(-c2csc(NC(=O)Cc3ccc4c(c3)CCC4)n2)c(C)n1C 7777670 NWQJRZSVOGQPCU-UHFFFAOYSA-N 365.502 4.435 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc2c(s1)CCCCC2 7831269 RGDNQAVUYCINFW-UHFFFAOYSA-N 365.502 4.475 0 40 FIAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)C(F)(F)F 8071148 OUNLCJOCVROLCM-UHFFFAOYSA-N 362.355 4.353 0 40 FIAB O=C(NCCSc1ccccc1)c1cc(F)ccc1Br 8361377 JTCMFSAGLSBDKO-UHFFFAOYSA-N 354.244 4.110 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21 8714649 JYBMIUFFAVXOSA-UHFFFAOYSA-N 364.854 4.024 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccc(F)cc1)N(CCc1c[nH]c3ccccc13)C2=O 8992760 CASUFBCHICFQOJ-NRFANRHFSA-N 374.419 4.126 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)Nc1cccc(C)n1 9096403 LQKMDIOUWPUHDO-CNXCKVANSA-N 373.541 4.322 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1Cl 10925714 QWDNEBIRLJYQHU-UHFFFAOYSA-N 358.825 4.014 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c[nH]nc1-c1ccccc1 11918250 GORDJESKDJQSSI-UHFFFAOYSA-N 361.401 4.371 0 40 FIAB FC(F)(F)c1nnc2n1N1C(=CS[C@H]1c1ccc(Cl)cc1)S2 12407777 RDQJJVRFADBIMB-VIFPVBQESA-N 362.789 4.239 0 40 FIAB O=C1c2ccccc2N[C@H](C2=Cc3ccccc3OC2)N1Cc1ccco1 12551735 WUYLYNXVFRHPPI-NRFANRHFSA-N 358.397 4.150 0 40 FIAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NCc1ccco1 12569087 LXLJWQCSDFHQNX-MRVPVSSYSA-N 364.776 4.144 0 40 FIAB CN1O[C@H](COC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 12949939 PZEDNXMKKOWWMT-IRXDYDNUSA-N 365.351 4.239 0 40 FIAB CC(C)(C)c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 13561388 UXKHSJUUUJWPRY-UHFFFAOYSA-N 350.418 4.166 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(C)c2C)o1 14110323 AFVINNDEBGFIGM-UHFFFAOYSA-N 371.462 4.066 0 40 FIAB COc1cc(C=O)ccc1OCCCSc1nnc(-c2ccccc2)o1 15422788 RYVPYHFAUQCZLG-UHFFFAOYSA-N 370.430 4.119 0 40 FIAB Cc1cc(Cl)ccc1-n1ncc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 15880914 BZYIBNNQGRPAAI-CHWSQXEVSA-N 355.873 4.260 0 40 FIAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 16083766 AIOMULOOGXIKCG-SNVBAGLBSA-N 360.262 4.042 0 40 FIAB C[C@H](NCC(=O)NCCc1cccs1)c1ccc(-c2ccccc2)cc1 16695371 ASVBGBYCSOXMBK-KRWDZBQOSA-N 364.514 4.425 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 17208397 ZAVZPXRNQZGTHL-UHFFFAOYSA-N 369.490 4.369 0 40 FIAB CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1NC(=O)c1ccco1 19018139 FVTVGYNMUSVVQR-IBGZPJMESA-N 366.442 4.087 0 40 FIAB Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)NCc1nnc(-c2ccccc2)o1 19716884 KJDNIFYCRLTFAT-UHFFFAOYSA-N 374.444 4.002 0 40 FIAB Cc1ccccc1[C@H]1CC(=O)c2cnc(N3CCc4ccccc43)nc2C1 20101627 QYJGHWPOSOMZQL-QGZVFWFLSA-N 355.441 4.392 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20141853 YYLDOIQIRANFEX-UHFFFAOYSA-N 351.402 4.478 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Br 20481009 VXAGWVYFNUMZFG-OAHLLOKOSA-N 352.203 4.384 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2-n2ccnc2C)cc1 20481548 FGOCVMQFAUFNOU-INIZCTEOSA-N 365.502 4.286 0 40 FIAB CCc1n[nH]c(SCc2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1 20611442 XRHROEQGHIDPFC-JLHYYAGUSA-N 364.474 4.311 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)N3CCc4sccc4[C@H]3C)c2C)no1 22837536 HAEJQHZYROXSDE-CYBMUJFWSA-N 355.463 4.212 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](c2ccccc2)C(C)C)cc1 23074946 YYWCSZFRTMIMBU-GMAHTHKFSA-N 366.505 4.346 0 40 FIAB CCn1cnn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 23855806 HQSUANWHJNDQNC-OAHLLOKOSA-N 362.549 4.162 0 40 FIAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3)c[nH]2)cc1 26128610 SMOAYYHMKKFLKO-CYBMUJFWSA-N 365.458 4.399 0 40 FIAB CC1CCN([C@H](CNC(=O)N(C)Cc2ccccc2)c2cccs2)CC1 26522093 WPSCCGZZKVGOMA-LJQANCHMSA-N 371.550 4.363 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C(F)(F)F)cc1C 27975054 KUVRLCWRXNDGNU-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB O=C(OCc1ccc(Cl)nc1)C1(c2ccc3c(c2)OCCO3)CCCC1 28457397 UAPZWAJXDQJKLZ-UHFFFAOYSA-N 373.836 4.061 0 40 FIAB CN(CC(=O)Nc1ccccc1Br)[C@H]1CCc2ccccc21 29483378 YLFLWYLSRKUXAF-KRWDZBQOSA-N 359.267 4.007 0 40 FIAB Cc1nc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 32787324 ALYGPQSAHVMKNO-GFCCVEGCSA-N 372.831 4.201 0 40 FIAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2sccc2C)no1 32843122 NSTRBOAYIACCQE-GOSISDBHSA-N 355.463 4.165 0 40 FIAB COc1ccccc1C(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 35399416 JRRCQLJESATSFE-UHFFFAOYSA-N 373.456 4.043 0 40 FIAB biogenic O=C(c1cccs1)N1CCC[C@H](c2nnc(Cc3ccccc3)s2)C1 36705235 AUXHARUFXFSWMT-HNNXBMFYSA-N 369.515 4.210 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1nc(CN2CCCCCC2)cs1 40034674 DVXMYQNMHHIXIE-UHFFFAOYSA-N 371.506 4.121 0 40 FIAB O=C(NCc1csc(Br)c1)c1cc(F)c(F)cc1Cl 41988462 DHVQNGIFVXYNJS-UHFFFAOYSA-N 366.614 4.372 0 40 FIAB CCOc1ccc(-c2nc(CN(C)Cc3c(C)noc3C)cs2)cc1 42132793 DQKPXZFYDVWXNH-UHFFFAOYSA-N 357.479 4.446 0 40 FIAB CSc1cc(C(=O)CSc2nc(C)cs2)ccc1NC(C)=O 43243003 RMALSRYVFBAMOM-UHFFFAOYSA-N 352.506 4.107 0 40 FIAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccsc2)C1 48234174 BGQASLXVHNSLEG-GOEBONIOSA-N 374.531 4.026 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)nn1 49025883 ZFVGXHSDGLQJBU-UHFFFAOYSA-N 358.401 4.240 0 40 FIAB O=C(CSc1nncs1)Nc1ccc(-c2nc3ccccc3o2)cc1 55097423 ZKFUZRZGGPDDFQ-UHFFFAOYSA-N 368.443 4.077 0 40 FIAB CCN(CC)c1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cn1 58414293 VDTHSXOXZLRNTE-UHFFFAOYSA-N 353.253 4.069 0 40 FIAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 58719461 SAZWZRBWNTYKJX-UHFFFAOYSA-N 370.840 4.137 0 40 FIAB CC(C)(C)n1/c(=N/C(=O)c2cccc(OC(F)F)c2)[nH]c2ccccc21 71831423 UGWAWIOBQDMCOX-UHFFFAOYSA-N 359.376 4.067 0 40 FIAB CCN(C(=O)Nc1ccccc1OC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 72314425 GCNFOUSLLJUFNE-PKOBYXMFSA-N 367.493 4.385 0 40 FIAB COc1cccc2cc(C(=O)Nc3c(Cl)cccc3Cl)c(=O)oc12 95470714 QKYRHBGFDWDFLT-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB CCOc1ccccc1[C@@H]1CC(c2ccco2)=NN1C(=O)c1ccco1 95946332 ROCDKVOQLULLNJ-INIZCTEOSA-N 350.374 4.263 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccccc3F)no2)CC1 98210987 DDYBMCTZRGBAQS-UHFFFAOYSA-N 361.417 4.065 0 40 FIAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 216451101 CGUUXFAEYZMQQZ-SNVBAGLBSA-N 362.253 4.313 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)SCc2ccccc2)s1 223195106 IRMMEDJYTXGIRG-LLVKDONJSA-N 353.538 4.301 0 40 FIAB O=C(CCSCc1ccccc1)NCc1ccccc1CN1CCCC1 224782479 BHHNSBYMSQYLCN-UHFFFAOYSA-N 368.546 4.222 0 40 FIAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 224858435 UTLFHBKNHQPADG-DLBZAZTESA-N 371.849 4.211 0 40 FIAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl 225265785 YTDPZLUDPKVOGF-LLVKDONJSA-N 374.289 4.183 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1O[C@@H](C)CC 225816880 KJEHDWTXFPGDEI-XOBRGWDASA-N 365.470 4.184 0 40 FIAB COc1cccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)c1 226272191 INFDYHMZPHQENI-UHFFFAOYSA-N 364.323 4.337 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1 243012058 HWNQICXIBVQQMN-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB CCn1c([C@@H]2CCCN2CCc2ccccc2C(=O)O)nc2ccccc21 521633459 BSROPNXGPLTOIM-FQEVSTJZSA-N 363.461 4.134 0 40 FIAB CC(C)c1nc2n(n1)CCC[C@@H]2Nc1ncc(F)c(-c2ccsc2)n1 557246082 FURZMIVFKXNTFX-ZDUSSCGKSA-N 358.446 4.006 0 40 FIAB CN(C)c1ccc(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2C)cc1 1262079024 DNHPCYMJBIEOAT-UHFFFAOYSA-N 368.868 4.083 0 40 FIAB COc1ccc(CCC(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)cn1 1525472082 MKHWMZGVIKYBPL-VQTJNVASSA-N 352.478 4.208 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)C1(c2ccc(F)cc2)CC1 1775968150 KORSONSYQUAPIY-OAHLLOKOSA-N 371.433 4.029 0 40 FIAB S=c1c2cc(Cl)ccc2nc2n(Cc3ccccc3)c(S)nn12 1889213063 NGJHQKNCIDNVEA-UHFFFAOYSA-N 358.879 4.404 0 40 FIAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 629541 FLIIQBSIEGBQEX-UHFFFAOYSA-N 358.488 4.482 0 40 FIAB COc1cccc(OCc2ccc(C(=O)OCC(F)(F)C(F)F)cc2)c1 662853 WYFJUHHCNUDDCA-UHFFFAOYSA-N 372.314 4.331 0 40 FIAB Cc1nc(-c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cs1 719851 YZCQBZSSGRDZLR-UHFFFAOYSA-N 362.410 4.477 0 40 FIAB O=C(Nc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 843793 GTMABHPTWXGWMO-MRXNPFEDSA-N 364.832 4.485 0 40 FIAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1 875849 AUIOZNRGMDDDQT-UHFFFAOYSA-N 354.431 4.240 0 40 FIAB COc1cc2cc(C)c(SCC(=O)Nc3ccccc3)nc2cc1OC 928244 JTSKTCSNPIRDLS-UHFFFAOYSA-N 368.458 4.291 0 40 FIAB CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCCc2ccccc21 1337724 PKBQJMQIGGMRNY-QGZVFWFLSA-N 353.495 4.032 0 40 FIAB CCn1c(-c2cccs2)nn(CN2CCc3ccccc3C2)c1=S 2646539 JBFCNZQBMLBOCN-UHFFFAOYSA-N 356.520 4.178 0 40 FIAB O=C(NCc1ccccc1Cl)C1CCN(c2nc3ccccc3o2)CC1 3048382 PQPIUERWZXNGOY-UHFFFAOYSA-N 369.852 4.014 0 40 FIAB CCOc1ccc(-n2c(SCC)nnc2-c2ccc(OC)cc2)cc1 3402195 UTUGZSJXZCYYMX-UHFFFAOYSA-N 355.463 4.454 0 40 FIAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCCCC3)cc12 3438349 DTUNIHLYJYPTFR-UHFFFAOYSA-N 353.491 4.471 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1 4056498 JFUOTVDUPKXDHR-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CCCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)O[C@@H](C)C(C)(C)C 4189544 LKUDAXGZLFUSRT-KBXCAEBGSA-N 374.481 4.081 0 40 FIAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)cc1 4585213 ZIHAPRQNHTYQHW-UHFFFAOYSA-N 369.424 4.313 0 40 FIAB CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccoc1C 4860631 KJROBUBDXFECPQ-UHFFFAOYSA-N 374.441 4.126 0 40 FIAB CCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C 5249632 KONXIFGJNNYPPG-SERSOLAASA-N 362.473 4.113 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)c2ccc3c(c2)CCC3)c1 5357410 FBHYFMKHCFYRDH-UHFFFAOYSA-N 363.486 4.348 0 40 FIAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc(Br)cc1 5452274 QAFKKTRTUPZLQM-ACCUITESSA-N 353.219 4.103 0 40 FIAB Cc1ccc2c(COC(=O)c3ccc(-n4cccc4)cc3)cc(=O)oc2c1 5702866 SXYWGRUWDYQJOL-UHFFFAOYSA-N 359.381 4.249 0 40 FIAB CCCCCn1c(O)c(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 5736271 LTQNDVOTXBBXBL-UHFFFAOYSA-N 368.408 4.289 0 40 FIAB Cc1ccc(Cl)c(NC(=O)COC(=O)Cc2cccs2)c1Cl 5786844 MYKNLWMOLHNYDD-UHFFFAOYSA-N 358.246 4.088 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 5880295 HHPWPXQEQYBFRQ-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB CCCn1c(O)c(C(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc21 5904465 NFZXUPRMPVRIHL-UHFFFAOYSA-N 356.809 4.023 0 40 FIAB CCCCOc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC 5959034 PSCLABMHWDENCC-ZRDIBKRKSA-N 365.473 4.472 0 40 FIAB O=C(OCc1cc(Cl)cc2c1OCOC2)C12CC3CC(CC(C3)C1)C2 6063848 XRQJQXKTPBXHFO-UHFFFAOYSA-N 362.853 4.466 0 40 FIAB C[C@@H](OC(=O)CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 6375071 MRVFBKSOKGKWQW-GFCCVEGCSA-N 366.244 4.496 0 40 FIAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(C(F)(F)F)cc1 6392482 LOWLMZJGRGLWEE-UHFFFAOYSA-N 364.323 4.032 0 40 FIAB Cc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 6478852 KULHKRPSFJWXEK-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB O=C(OCc1ccc(Br)cc1)c1cnn(Cc2ccccc2)c1 6590219 ZFBFWECDEFWMFJ-UHFFFAOYSA-N 371.234 4.051 0 40 FIAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc2cc(F)ccc2s1 7164632 CFCWXKAHARNNMP-UHFFFAOYSA-N 373.405 4.153 0 40 FIAB O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]1c1cccs1 7309930 AUSOHVGNRZOOGQ-ZDUSSCGKSA-N 372.309 4.036 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1ccc(F)c(F)c1 7702330 SQUQLZDXUJIALK-KRWDZBQOSA-N 365.426 4.094 0 40 FIAB COc1ccccc1CSc1nnc(-c2ccc(OC)c(OC)c2)o1 8231727 XODDBRVUAQODTG-UHFFFAOYSA-N 358.419 4.055 0 40 FIAB CCOc1cc(CNCc2ccc(F)cc2)cc(Br)c1OC 8253624 BBTWFGLCMKUNLW-UHFFFAOYSA-N 368.246 4.285 0 40 FIAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 9198005 FMXGSOXJOZWRBV-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc2ccccc2c1 9617072 AJCUJOBKALFJBU-UHFFFAOYSA-N 363.804 4.062 0 40 FIAB COc1ccc(-c2cc(=O)c3cc(NC(=O)C(C)(C)C)ccc3o2)cc1 9659970 VZDUTTFWNAJGPP-UHFFFAOYSA-N 351.402 4.453 0 40 FIAB biogenic O=C(CSCCCOc1ccccc1)NC12CC3CC(CC(C3)C1)C2 9850493 QKJDBFWEUYXSRV-UHFFFAOYSA-N 359.535 4.274 0 40 FIAB COc1ccc(OCC(=O)N(Cc2ccc(C)cc2)c2ccccn2)cc1 11914872 PNEGROVUSXMRSO-UHFFFAOYSA-N 362.429 4.011 0 40 FIAB COc1ccc(CC(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 12289693 VEFPXOBPEQRLBO-UHFFFAOYSA-N 369.273 4.058 0 40 FIAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1 12416152 VNVHWPKLBTYMRS-AWEZNQCLSA-N 353.809 4.219 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccc(F)cc1F 12926616 ARLSGJXBVWSTQP-NSHDSACASA-N 358.392 4.090 0 40 FIAB Cc1cc(OC(=O)Nc2ccc(Cl)cc2)c(C)cc1CN1CCOCC1 12953924 CEJFCWPWUYVJHQ-UHFFFAOYSA-N 374.868 4.400 0 40 FIAB Cc1c(O)ccc2c(CN[C@@H](c3ccc(F)cc3)C(C)C)cc(=O)oc12 15550540 XGOKNTIKVIXIRQ-HXUWFJFHSA-N 355.409 4.433 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C)c(OC)c1 15830171 FKOLJFOYPIELBH-YPNIWSFNSA-N 351.446 4.389 0 40 FIAB O=C(/C=C/c1nc2ccccc2o1)NCCSCc1ccccc1F 17604566 RTMCGVFDZKGVDW-MDZDMXLPSA-N 356.422 4.030 0 40 FIAB CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(C(F)(F)F)nc4nc3C2)cc1 20671700 WWWCDCDNVPZMLR-CYBMUJFWSA-N 374.366 4.179 0 40 FIAB O[C@H](c1ccccc1)C1CCN(c2ncnc3cc(Cl)ccc23)CC1 22760573 PXZVRKFBAKYRQB-LJQANCHMSA-N 353.853 4.233 0 40 FIAB CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)c1ccccc1 23182560 XPRRJJDXSXLYTE-VXKWHMMOSA-N 368.521 4.388 0 40 FIAB Cc1nc(NC(=O)CCC(=O)c2ccccc2)sc1-c1ccccn1 23498021 VPLOYRZDPOJSFF-UHFFFAOYSA-N 351.431 4.115 0 40 FIAB O=C(Nc1ccccc1-n1cncn1)c1ccc(SC(F)(F)F)cc1 25003405 VALFUROWTYSDRK-UHFFFAOYSA-N 364.352 4.132 0 40 FIAB Cc1cc([C@H]2N(Cc3ccco3)C(=O)c3ccccc3N2C)cc(C)c1O 28923859 IATDRXKGEHNFDM-OAQYLSRUSA-N 362.429 4.393 0 40 FIAB CCc1nnsc1C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 32772734 MMCTWBAWEVLCMT-ZDUSSCGKSA-N 358.492 4.078 0 40 FIAB COC(=O)c1c(C)[nH]c(-c2cccs2)c1[C@@H]1C(=O)Nc2ccc(C)cc21 36367202 NDTXQFJQLQPQNV-MRXNPFEDSA-N 366.442 4.231 0 40 FIAB Cc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 39767346 ODUAJRYYMIDNKT-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB C[C@H](c1ccccn1)N(C(=O)CCc1nc2ccccc2s1)C1CC1 40157279 ZWNMZXALEMWXMZ-CQSZACIVSA-N 351.475 4.376 0 40 FIAB CC[C@@H](NC(=O)NC1CCN(CC(C)C)CC1)c1cccc(Cl)c1 45463020 PKNXQKYNIVLAEB-GOSISDBHSA-N 351.922 4.211 0 40 FIAB CCN(Cc1ccco1)C(=O)c1cc2c(F)cc(Br)cc2[nH]1 46359023 JNCSDSUAMGUJGQ-UHFFFAOYSA-N 365.202 4.325 0 40 FIAB Cc1nc(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)cs1 48781530 QBFZQTIAQOQBQD-UHFFFAOYSA-N 355.438 4.133 0 40 FIAB CNC(=O)c1cc(Cl)ccc1NC(=O)c1cnc(-c2ccccc2)s1 49749133 MDPMUIFKOCBJTD-UHFFFAOYSA-N 371.849 4.075 0 40 FIAB FC(F)(F)c1cnc(NCc2cccc(Cn3cncn3)c2)c(Cl)c1 52384720 NVAFHRQZTYWXNL-UHFFFAOYSA-N 367.762 4.006 0 40 FIAB O=S1(=O)CCCN1c1ccc(F)c(NCc2cccc3ccccc23)c1 55896464 JTRMMEDQTJJHHP-UHFFFAOYSA-N 370.449 4.131 0 40 FIAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1ccccc1 58159369 WVMLMWJBJIMIDJ-MRXNPFEDSA-N 351.349 4.319 0 40 FIAB O=C(Nc1nnc(COc2ccccc2)o1)c1cc(Cl)sc1Cl 61974001 BRIACUOCBMQVIL-UHFFFAOYSA-N 370.217 4.269 0 40 FIAB Cc1nn(C(F)F)c(C)c1CC(=O)N1CCCc2cc(Cl)ccc21 65546501 KKVODZIQGYIXGH-UHFFFAOYSA-N 353.800 4.070 0 40 FIAB CC(=O)c1cn(CCC(=O)NCCn2ccc3ccccc32)c2ccccc12 70666512 OHPOLNDXDKFCNR-UHFFFAOYSA-N 373.456 4.005 0 40 FIAB biogenic C[C@@]1(C(=O)O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 70915639 NANBTYVNWVGYFU-JOCHJYFZSA-N 365.429 4.122 0 40 FIAB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc2c(s1)CCCC2 72303672 XJJFCYJASQTDIW-GOSISDBHSA-N 368.546 4.221 0 40 FIAB CCOC(=O)[C@@H](NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)C(C)(C)C 79055202 GPTRUGOJTDEZJT-IFXJQAMLSA-N 371.477 4.046 0 40 FIAB CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H](CCO)c1ccccc1 83843870 JAASJZRVUBJCGX-QGZVFWFLSA-N 352.261 4.118 0 40 FIAB Cc1noc(C)c1[C@@H](C)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C 84023025 LBGULTCZUBGGLN-JDNHERCYSA-N 370.280 4.078 0 40 FIAB CC1(C)C[C@H](N(Cc2ccccc2)Cc2cccc(C(N)=O)c2)C(C)(C)O1 95992213 PMYLGGIJUSQJKN-FQEVSTJZSA-N 366.505 4.134 0 40 FIAB O=C(c1cccs1)N1CCC2(CC1)CCn1c(-c3ccccc3)cnc12 96263425 WRGDELJXYMIBMF-UHFFFAOYSA-N 363.486 4.189 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)O)c1nc3cc(Cl)c(Cl)cc3nc12 100175335 RRVIKQNVFGIWFP-IAGOWNOFSA-N 351.233 4.350 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1nccs1)c1nc3ccccc3nc12 100768781 IBJHAFDFHFGDIG-WOJBJXKFSA-N 364.474 4.054 0 40 FIAB Cc1cccc2s/c(=N/C(=O)c3ccc(Br)cc3)n(C)c12 100878764 LOCGSEWSKLPZLM-FBMGVBCBSA-N 361.264 4.052 0 40 FIAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3Cl)C2=O)cc1 101275818 HOIGTFCZVGPALM-MRXNPFEDSA-N 363.244 4.300 0 40 FIAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)N[C@H]1CCCC[C@@H]1C 103339170 YYFNMHKLLLYIBA-AVGNSLFASA-N 374.535 4.120 0 40 FIAB COC(=O)c1cc(NC(=O)CCc2ccc(OC)c(C)c2)ccc1Cl 222792265 INKWKESVIYLLPV-UHFFFAOYSA-N 361.825 4.015 0 40 FIAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1Cl 224149610 ROKMMCFNIQPYLG-CYBMUJFWSA-N 368.260 4.264 0 40 FIAB CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224706378 AAJAILSOXSQKRS-UHFFFAOYSA-N 350.654 4.472 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2C)s1 224880813 KPLUWSVDGIRROA-GFCCVEGCSA-N 351.497 4.145 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(F)c(Cl)c2)C1 225728652 ICGSXNXOMCFWEG-CHWSQXEVSA-N 357.926 4.134 0 40 FIAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(F)c4)OCC[C@@]31C2 257201709 AIRZHFRMRASXHN-GPPVHMAASA-N 359.485 4.480 0 40 FIAB COC(=O)c1cccc(NC(=O)CCCOc2ccc(Cl)cc2)c1C 408706107 VJFOFCOOECTYEW-UHFFFAOYSA-N 361.825 4.233 0 40 FIAB O=C1S/C(=C/c2ccc3c(c2)OCCO3)C(=O)N1CC1CCCCC1 409136327 YMWIMBIHLMKQMC-GZTJUZNOSA-N 359.447 4.074 0 40 FIAB O=C(O)[C@@H](CC1CC1)[C@@H](CCC(F)(F)F)C(=O)OCc1ccccc1 504652846 BEPOLJGUVHSWIX-CABCVRRESA-N 358.356 4.189 0 40 FIAB Cc1c(NC(=O)N2CCCC[C@H]2c2cc[nH]n2)cccc1-c1ncco1 567695101 AXYURGDCEPJVAM-KRWDZBQOSA-N 351.410 4.132 0 40 FIAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(C)=O)cc2)cc1 623551 CMRHCAYXGHHEBU-ZDUSSCGKSA-N 370.474 4.193 0 40 FIAB CCCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CCC)cs1 1365707 VWXHJTOWDHCALB-UHFFFAOYSA-N 357.479 4.238 0 40 FIAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5nncs5)(C4)C2)C3)cc1 1467710 XSWQZWKWEGXVLN-JNKARSBBSA-N 353.491 4.323 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](NC=O)c1ccc(Cl)cc1Cl 2306270 GQGUZARRGVHMTE-MRXNPFEDSA-N 351.233 4.036 0 40 FIAB CC(C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1 3292906 IHLYZYHJFZMLQM-UHFFFAOYSA-N 352.463 4.122 0 40 FIAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3C)sc1CC2 3651747 XGGIPJSBKDDVCG-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB COCCCN(C(=O)c1ccco1)c1nc(-c2ccc(OC)cc2)cs1 4169371 AOLAYLKNDDFVPW-UHFFFAOYSA-N 372.446 4.095 0 40 FIAB Cc1ccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)cc1Cl 4392098 GWPMPTHDLXPTOS-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)CC)sc3c2)cc1 4777334 AKUDRBXNLXAHMU-UHFFFAOYSA-N 369.446 4.296 0 40 FIAB COc1ccc([C@@](O)(CCN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 4934846 UUCSWCWLOMQFPY-MZLICYQSSA-N 365.517 4.443 0 40 FIAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 5900588 KEVUXWPBCRMXKC-FQEVSTJZSA-N 360.413 4.230 0 40 FIAB O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)N1CCc2ccccc21 6508032 ACVBGFWZJWKRPD-UHFFFAOYSA-N 368.234 4.042 0 40 FIAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CC[C@H]2OC(C)=O 6614822 QNJIISBPAUAVAF-FGZHOGPDSA-N 352.430 4.374 0 40 FIAB O=C1N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccccc1 6864221 GXKLKRGFMPYHRT-RCCKNPSSSA-N 370.408 4.363 0 40 FIAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cc2ccccc2oc1=O 7227041 SSYPXKWNUZNKBD-UHFFFAOYSA-N 362.429 4.426 0 40 FIAB COc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1Cl 7263829 HCDIPRYFZOPPPD-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB CCCCn1nc(C)c([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1Cl 7364390 GWMHTYCQPSPPAM-SFHVURJKSA-N 358.873 4.374 0 40 FIAB CC(C)Cn1c([C@@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21 7545207 SMPXPBHXBFNDAA-LJQANCHMSA-N 361.489 4.251 0 40 FIAB CC(C)N(C(=O)Cn1c(NCc2ccccc2)nc2ccccc21)C(C)C 7985745 KDZVZDVSNPBLSE-UHFFFAOYSA-N 364.493 4.294 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)COc2ccccc2C(C)(C)C)c1 8040768 FDFZTTOFOMBLRZ-UHFFFAOYSA-N 355.434 4.097 0 40 FIAB COc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1 8393148 AKHUKMKMAGDIKU-UHFFFAOYSA-N 354.460 4.154 0 40 FIAB c1ccc(OCc2nn3c(CSc4ccccc4)nnc3s2)cc1 8393204 KNYRLGRKVOHBBJ-UHFFFAOYSA-N 354.460 4.057 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccc2Cl)CC1 8663515 SIKLHIBWMGPXDI-UHFFFAOYSA-N 350.249 4.348 0 40 FIAB COc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c1 8733881 NXFNZLBNFXFKRB-UHFFFAOYSA-N 358.344 4.200 0 40 FIAB COc1ccc(Nc2ccc3nnc(-c4ccccc4Cl)n3n2)cc1 9061156 OWWDYTDYCACRNW-UHFFFAOYSA-N 351.797 4.197 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2occc2C)cc1 9861813 QOHUZZHPBGLUQC-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB COc1cccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 10149046 KLMAXOOFOKWWRR-UHFFFAOYSA-N 352.415 4.261 0 40 FIAB Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)c1 10402118 RJDWGCGBRLUGMP-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 11692673 JXBQLTPHIHFKLJ-IBGZPJMESA-N 364.836 4.371 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccccc3)ns2)cc1 11914949 RHOWEBUFMOIULE-UHFFFAOYSA-N 353.447 4.346 0 40 FIAB C[C@@H](SCc1cccc(F)c1)c1nc(N)nc(Nc2ccccc2)n1 12633827 PFDYECNRABLRPR-GFCCVEGCSA-N 355.442 4.331 0 40 FIAB Cc1cnccc1-c1cnc(NCCc2ccncc2)nc1-c1ccco1 12668157 VOXTUWCYRSKFAI-UHFFFAOYSA-N 357.417 4.157 0 40 FIAB O=c1nc(CN2CCc3sccc3[C@@H]2C2CC2)[nH]c2ccc(Cl)cc12 12795183 QJWCLNMOHXXDGT-SFHVURJKSA-N 371.893 4.147 0 40 FIAB Cc1ccc(OCc2nc(C(=O)Nc3nnc(C(C)C)s3)cs2)cc1 12877582 DHUDACZJMOIBCY-UHFFFAOYSA-N 374.491 4.258 0 40 FIAB COc1ccc(CNC(=O)c2cc3c(C)nn(CC(C)C)c3s2)cc1 12929250 XFWDBWDFWGMFRR-UHFFFAOYSA-N 357.479 4.001 0 40 FIAB CC(C)CN1CCn2c(nc3cc(NC(=O)Nc4ccccc4)ccc32)C1 13736562 KGNNTVITTRILSM-UHFFFAOYSA-N 363.465 4.152 0 40 FIAB O=C(O)c1cccc(COc2ccc(/C=C3\SC(=S)N=C3O)cc2)c1 13809886 VJXKJXOOKLQHFZ-DHDCSXOGSA-N 371.439 4.293 0 40 FIAB CCc1ccc(-c2noc(C[C@@](O)(c3ccc(C)o3)C(F)(F)F)n2)cc1 14241862 QAALWFIGNVMKDE-QGZVFWFLSA-N 366.339 4.193 0 40 FIAB O=C(NCc1nnc2ccccn12)c1cc2sc3ccccc3c2s1 14242048 ZGJJCWOVOJOFDD-UHFFFAOYSA-N 364.455 4.089 0 40 FIAB O=S(=O)(Nc1cccc2c1CCCC2)c1ccccc1Br 16130723 ITFLLZACRRBYAB-UHFFFAOYSA-N 366.280 4.129 0 40 FIAB Cc1ccc([C@@H](C)C(=O)NCCn2ncc(-c3ccncc3)c2C2CC2)cc1 19136328 RGIXHKKXCLOKET-QGZVFWFLSA-N 374.488 4.051 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C(=O)N(C)C)c2ccccc2)c1 19298537 ZZQKOAXCWBUTDX-SFHVURJKSA-N 351.475 4.102 0 40 FIAB O=C([C@@H]1CCCO1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19336611 BREQBHAORUJQFT-ROUUACIJSA-N 358.413 4.103 0 40 FIAB Cc1ncsc1-c1nc(N2CCSCC2)ncc1-c1ccc(F)cc1 19562374 NELNHALWARSBLO-UHFFFAOYSA-N 372.494 4.268 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(OC(C)C)cc1 20141830 DUMMUPJGKKAMHA-UHFFFAOYSA-N 363.797 4.086 0 40 FIAB CCOc1ccccc1CCCNC(=O)CSCc1ccc(F)cc1 20453064 UOVCPHSLMGHAQU-UHFFFAOYSA-N 361.482 4.207 0 40 FIAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 21523167 RXYKCIUPHFTDRY-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB Cc1ccccc1-c1nc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)no1 21806665 RYIFOAJEOYRXDI-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC 22514428 QPIJAEJCSFYWQI-HOTGVXAUSA-N 368.477 4.183 0 40 FIAB COc1ccc(CC(=O)OCc2cc(-c3cc4ccccc4o3)on2)cc1 22769050 BBCZRVWXZTZOGT-UHFFFAOYSA-N 363.369 4.382 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 23055181 HSMDVGMKAQGPIZ-JOCHJYFZSA-N 374.444 4.006 0 40 FIAB O=C(Nc1ccccc1-n1cncn1)c1cc2c(s1)-c1ccccc1CC2 25004346 SMEZQHKMCYMNCW-UHFFFAOYSA-N 372.453 4.347 0 40 FIAB CS(=O)(=O)Nc1ccc(-c2csc(Nc3ccccc3F)n2)cc1 25057601 TUQYHEBJIJRGOX-UHFFFAOYSA-N 363.439 4.064 0 40 FIAB COCCN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1Cl 25309818 ZPFWYPLELSCXMB-MRXNPFEDSA-N 351.233 4.206 0 40 FIAB CC[C@H](NC(=O)Cc1coc(-c2ccccc2)n1)c1ccc(OC)cc1 25515126 QPXCJXLBBSYGSX-IBGZPJMESA-N 350.418 4.160 0 40 FIAB COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220811 LFGMAQSGUKMIMQ-INIZCTEOSA-N 358.869 4.199 0 40 FIAB CC(=O)c1ccc(NC(=O)CCN(C)Cc2ccc(C(C)C)cc2)cc1 30958928 CKFRUTFTHNAJGW-UHFFFAOYSA-N 352.478 4.473 0 40 FIAB Cc1cc(C)nc(SCC(=O)Nc2ccccc2N2CCCCCC2)n1 31097030 KEFFAGAETSGJPY-UHFFFAOYSA-N 370.522 4.205 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 32585550 XLVFOQCBZALUNP-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB COc1ccc(C)cc1NC(=O)CN(C)[C@@H](C)c1cc2ccccc2o1 32754443 AWGGELSSDBSYSD-HNNXBMFYSA-N 352.434 4.381 0 40 FIAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 32845820 GFLPLCQODWMIGU-OAHLLOKOSA-N 351.446 4.104 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@H](C)c3cccs3)n2)cc1 33235833 FKLZVOSUVBAIFY-CQSZACIVSA-N 355.463 4.259 0 40 FIAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1C 36635421 BVPCXNYVUUNBEB-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCCc4ccccc43)cc2c1OC 40087715 OGEWMTQOQWSZKU-IBGZPJMESA-N 364.445 4.335 0 40 FIAB Cc1ncsc1C(=O)NCCc1ccc(OCc2ccccc2)cc1 40122117 UQWOJJLCKBHFTA-UHFFFAOYSA-N 352.459 4.003 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)N3CCC[C@H]3c3cccs3)CC2=O)c1C 40160162 AUNBEXVESMIBOX-AEFFLSMTSA-N 368.502 4.082 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(-c2cnn(C)c2)n1 44977300 UHTHNMNGEJXHJE-GFCCVEGCSA-N 366.446 4.123 0 40 FIAB CC(C)c1noc(CCCC(=O)Nc2ccc(-c3nccs3)cc2)n1 48332210 GXORTFREFZOPNG-UHFFFAOYSA-N 356.451 4.278 0 40 FIAB O=C(c1cccc(-n2cccc2)c1)N1CCC(Nc2ccc(F)cc2)CC1 63584546 PKUSPJWUHMJOPY-UHFFFAOYSA-N 363.436 4.333 0 40 FIAB CC(=O)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215616 QFQDDSMFKWUHCE-SFHVURJKSA-N 373.497 4.449 0 40 FIAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(Cn2cncn2)cc1 72277166 DYWQDMZRDQLWLL-VXKWHMMOSA-N 374.488 4.125 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@@H]2CCN(C)C[C@@H]2C)cc1 72335298 WUCVKGXWHXZAPW-KBXCAEBGSA-N 355.482 4.064 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 72377058 YINPZRLVDZYTED-GOSISDBHSA-N 368.456 4.109 0 40 FIAB CC(C)n1ncc2c1N=C(O)C[C@]21C(=O)Nc2c(Cl)ccc(Cl)c21 72403524 RSUISHKQOKHJIO-INIZCTEOSA-N 365.220 4.001 0 40 FIAB C[C@H]1CCCN(CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 75572450 GJQCADJHRFMBOK-AWEZNQCLSA-N 357.420 4.339 0 40 FIAB Cc1ccc(-c2nc(C(=O)N(C)c3cccnc3N(C)C)cs2)c(C)c1 79722041 USXSYSDLJIUNEN-UHFFFAOYSA-N 366.490 4.165 0 40 FIAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 84563645 BAZPOPNSYQSCME-WBVHZDCISA-N 353.372 4.201 0 40 FIAB C[C@@H](c1nc2ccccc2o1)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 95465890 JEIPKBGMKRCXBO-SUMWQHHRSA-N 369.852 4.280 0 40 FIAB COc1ccc(-c2noc([C@@H](C)NCC3CCCCC3)c2C(=O)O)cc1 96297095 HUXNQSBPMJLAJP-CYBMUJFWSA-N 358.438 4.279 0 40 FIAB biogenic,in-vitro CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1/C=C/N(C)C 96319535 RUQHGWJAZJIPOK-BQYQJAHWSA-N 355.221 4.357 0 40 FIAB Cc1cccc(-c2nn3c(O)cc([C@@H](C)Cn4nccc4C)nc3c2C)c1 100775685 RBYVAXALVSZVBS-AWEZNQCLSA-N 361.449 4.027 0 40 FIAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 103718823 JXFACFJZIPJIAO-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CCOC(=O)c1cn(CC(C)(C)C)c2cc(C(F)(F)F)c(F)cc2c1=O 199727012 AMIHZIMPXFUOOL-UHFFFAOYSA-N 373.346 4.382 0 40 FIAB COc1ccc(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)cc1OC 216251319 HJRXXIVSJNXINL-RDTXWAMCSA-N 371.502 4.378 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2ccccc2Cl)c(C)c1 223403501 NYTVSIQJEFBYEG-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)c(C)c1 225154701 GSQKBMZRZXLQJA-KRWDZBQOSA-N 365.520 4.155 0 40 FIAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCCC(C)C)n2)cc1 225200884 XXKXYKJBWCWFFB-UHFFFAOYSA-N 373.526 4.260 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1OCC 225381704 SNUOVDIQRGAGSL-UHFFFAOYSA-N 351.805 4.207 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2c(C)cc(C)cc2C)cc1 225763636 ZAYKYIINQAAMRP-UHFFFAOYSA-N 353.447 4.391 0 40 FIAB C[C@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccc5ccccc45)cn1c23 225861539 SHJGMDKTCFTBCY-HNNXBMFYSA-N 368.436 4.202 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 226272368 LKXVIRSOKZAORV-UHFFFAOYSA-N 362.271 4.130 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 243820395 QUWYVCMQUHPENN-MRXNPFEDSA-N 370.880 4.456 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257205170 AXXUAYPAYHIVOC-GOSISDBHSA-N 366.505 4.223 0 40 FIAB O=C(c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257238232 HKBPXNWMRHRZFW-MRXNPFEDSA-N 353.447 4.089 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@@]31C2 257271694 MZKDUFWSYKRGKG-OXQCTGGYSA-N 363.448 4.373 0 40 FIAB Cc1cccc(NC(=O)CCNC(=O)C(c2ccccc2)c2ccccc2)c1 408739328 ZLUKHBVZTGRCDA-UHFFFAOYSA-N 372.468 4.272 0 40 FIAB COc1ccc(Cl)cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 409100483 NYPQKCHGCITORT-RIYZIHGNSA-N 363.200 4.099 0 40 FIAB O=C(CCSc1ccccc1)NC[C@H](O)c1cc(-c2ccco2)cs1 1775969066 WDISUQZVDURJFN-INIZCTEOSA-N 373.499 4.340 0 40 FIAB O=C(CCc1ccccc1F)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009672 MTYXIHGEHZHHML-HOTGVXAUSA-N 361.848 4.003 0 40 FIAB O=C(CCC(=O)OCc1ccccc1)Nc1cccc(C(F)(F)F)c1 670394 KPQOMYIPUOLNOR-UHFFFAOYSA-N 351.324 4.168 0 40 FIAB C[C@@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccc(Cl)cc2Cl)O1 1026861 BDYRJVFUMVKXBZ-PIGZYNQJSA-N 352.217 4.485 0 40 FIAB Cc1cccc(OC(=O)Nc2ccc(I)cc2)c1 1433780 TULOUABZWAYVRO-UHFFFAOYSA-N 353.159 4.211 0 40 FIAB C[C@H]1S[C@@H](c2ccc3c(c2)OCO3)N(c2nc3ccccc3s2)C1=O 1461320 COGVDUJQKIESAP-QGHHPUGFSA-N 370.455 4.192 0 40 FIAB Cc1oc2cc3oc(=O)c(CCC(=O)NC4CCCC4)c(C)c3cc2c1C 2149375 ZISSIXNHPKGYIX-UHFFFAOYSA-N 367.445 4.456 0 40 FIAB biogenic O=C(CSc1nccn1-c1ccc(Cl)cc1)N1CCc2ccccc21 2468273 IVAGBPHYPBYMJU-UHFFFAOYSA-N 369.877 4.207 0 40 FIAB Cc1ccc2nc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)sc2c1 2628859 BFMKAVOLXUTUJX-INIZCTEOSA-N 368.458 4.415 0 40 FIAB CCCC[C@H](C(=O)Nc1c(C)cccc1C)N1C(=O)c2ccccc2C1=O 4104119 ILQQGTPXINJOEU-GOSISDBHSA-N 364.445 4.097 0 40 FIAB CCOc1ccc(N2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc(F)cc23)cc1 4372265 RWXNRLJWWKQCPH-VQIMIIECSA-N 358.438 4.159 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(CCc2ccccc2)s1 4696301 IKZUAUAWMUXHQY-UHFFFAOYSA-N 373.865 4.238 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccc(Cl)cc2)C1=O 5043240 BUJWFRVVQRDENP-MHWRWJLKSA-N 374.849 4.455 0 40 FIAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc2ccccc2n1 5079730 FTJYUNFNQBXVJN-UHFFFAOYSA-N 355.777 4.112 0 40 FIAB CCCC(=O)N(CCCN(C)C)c1nc2c(OC)ccc(Cl)c2s1 5256930 WYRHVTKEFWDCKO-UHFFFAOYSA-N 369.918 4.043 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557260 BNWUOWUAKZOUGE-UHFFFAOYSA-N 355.478 4.133 0 40 FIAB O=C(O)CCC(=O)Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1 6257969 ATZKDMQCTHONCB-UHFFFAOYSA-N 367.430 4.357 0 40 FIAB COc1cc(OC)cc(-c2nc(SCc3ccccc3Cl)n[nH]2)c1 6453631 LITQAFDVVCOTMN-UHFFFAOYSA-N 361.854 4.435 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 6881131 SDVYUEUVEVESPV-INIZCTEOSA-N 364.445 4.209 0 40 FIAB c1ccc(Cn2c(SCCc3ccccn3)nnc2-c2ccco2)cc1 7033698 FRCDMAGZYJMSFI-UHFFFAOYSA-N 362.458 4.316 0 40 FIAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1c(F)cccc1F 7580397 AEQNPZYZPHVJOD-UHFFFAOYSA-N 362.401 4.260 0 40 FIAB CCn1cnnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 8326437 QNTSEJXWLITCLQ-LJQANCHMSA-N 362.458 4.496 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 8613211 QCADTYNGMGXWKQ-HXUWFJFHSA-N 358.526 4.345 0 40 FIAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3nccnc23)cc1 9074203 NXZMROKIRRTBKW-UHFFFAOYSA-N 356.433 4.126 0 40 FIAB O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 9233756 FRQNROHIPNIRTI-SNVBAGLBSA-N 367.207 4.124 0 40 FIAB CCOC(=O)c1oc2cc(NC(=O)c3ccccc3OC)ccc2c1C 9659899 RGLAAVLLZVOLFQ-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB biogenic COc1ccc(OCc2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 10312279 JHTPEKDQGFQTGE-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)C[C@@H](C)n2ccnc2C)n1 12087895 MBZHIEXKAHOJEE-CZUORRHYSA-N 374.535 4.069 0 40 FIAB COc1cc(C(=O)CCNc2ccc(C)c(Cl)c2)cc(OC)c1OC 12462326 IKEVFVHDAKORLB-UHFFFAOYSA-N 363.841 4.359 0 40 FIAB biogenic,in-vitro CN(Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S)C1CCCC1 12553579 NXCUUHQARPYSNT-UHFFFAOYSA-N 365.506 4.297 0 40 FIAB CC(C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12560150 FIOOWSBKHXONFQ-INIZCTEOSA-N 369.490 4.035 0 40 FIAB COc1ccc(-c2csc3ncnc(NCCc4cccnc4)c23)cc1 12644555 ANPJRICTSNNDMH-UHFFFAOYSA-N 362.458 4.417 0 40 FIAB CCSc1nnc(NC(=O)c2ccc(-c3ccccc3)nc2C)s1 12857969 XQQKLFOHAUTJRR-UHFFFAOYSA-N 356.476 4.273 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Nc3cc(C)ccc3F)c(=O)oc2c1 12981772 JFZVNAPSBUKBGA-UHFFFAOYSA-N 369.392 4.129 0 40 FIAB O=C(CN(Cc1ccco1)C(=O)c1cccc(Cl)c1)Nc1ccccc1 16182688 IQRBMXPOUDKYQW-UHFFFAOYSA-N 368.820 4.214 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1Br 16780038 QLXQQUTUQHYYGF-IINYFYTJSA-N 374.344 4.231 0 40 FIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccccc1Br 17524245 UNOMFODIVUEGQA-UHFFFAOYSA-N 354.207 4.158 0 40 FIAB Cc1noc2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc(C(F)F)c12 19564419 CEWCAKONELUJLL-UHFFFAOYSA-N 351.397 4.221 0 40 FIAB Cc1ccc(SCCC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20110921 HADYKJQBVGUEBZ-UHFFFAOYSA-N 365.502 4.288 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(OC)cc2)cc1 20458155 FXCIBRLPGOARGH-OAHLLOKOSA-N 359.491 4.205 0 40 FIAB Cc1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1 20609946 CMGYMEFRBPNVEZ-UHFFFAOYSA-N 374.469 4.460 0 40 FIAB Cc1ccc(CCC2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)cc1 22095891 VRNQCVXYCUFITK-UHFFFAOYSA-N 367.537 4.149 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1c[nH]c2ccccc2c1=O 22233930 PCUKSTVWKCBEIU-UHFFFAOYSA-N 370.408 4.359 0 40 FIAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1cccs1 22766080 JYSDDOSAOYSAJT-SFHVURJKSA-N 368.527 4.339 0 40 FIAB CCS(=O)(=O)c1ccc(NCc2c(C)cc(C)c(C(C)=O)c2C)cc1 22906776 ZILZBWXUDNOPCP-UHFFFAOYSA-N 359.491 4.220 0 40 FIAB Cc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1-c1cccc(C(F)(F)F)c1 22990445 GHGOSZZKQBPADT-LBPRGKRZSA-N 374.366 4.086 0 40 FIAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cccc(O)c2)s1 23053495 FNTJUVWYXBLCRF-UVTDQMKNSA-N 357.822 4.233 0 40 FIAB CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2nc3ccccc3s2)s1 24471404 IFCGZEUDOPXRRI-UHFFFAOYSA-N 368.487 4.031 0 40 FIAB CC(C)n1ncc2cc(C(=O)NCCSc3ccc(Cl)cc3)cnc21 25962089 OXBBFYJMGYWFCH-UHFFFAOYSA-N 374.897 4.188 0 40 FIAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1C(F)(F)F 27978098 HXSDJWLHUTZHAS-AWEZNQCLSA-N 367.323 4.230 0 40 FIAB COc1ccc(N(CC(=O)c2ccc(C)cc2C)C2=NCCS2)cc1 28114391 MBHYXJSBOKWQBI-UHFFFAOYSA-N 354.475 4.104 0 40 FIAB CC(C)(C)OC(=O)NCCC(=O)N[C@@H](c1cccs1)C1CCCC1 32397032 GKUCFMLTPVRKAO-MRXNPFEDSA-N 352.500 4.010 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCCOc1ccccc1F 32779656 BMDCWVGFDKISSQ-AWEZNQCLSA-N 356.397 4.353 0 40 FIAB COc1cc(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)ccn1 32905179 PPUWZPSPTDBRJH-UHFFFAOYSA-N 352.434 4.127 0 40 FIAB C[C@H]1Sc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2NC1=O 32988653 BXPFNYWCUMUPPQ-BXUZGUMPSA-N 358.488 4.158 0 40 FIAB COc1ccc(-c2cc(SCc3cc(OC)cc(OC)c3)ncn2)cc1 36709743 QRVZARDIZFQBSK-UHFFFAOYSA-N 368.458 4.462 0 40 FIAB O=C(NCCCOC1CCCCC1)c1ccc(Br)cc1F 39996901 OGYISAYKNVIRJS-UHFFFAOYSA-N 358.251 4.057 0 40 FIAB Cc1cc(C)cc(OCCC(=O)N(C)Cc2nc3ccccc3s2)c1 40061999 HLYRCWZMBZWAOW-UHFFFAOYSA-N 354.475 4.341 0 40 FIAB O=C(Cc1noc2ccccc12)Nc1ccc(Oc2ccc(F)cc2)nc1 40107090 YKHXAOKSEIEFHX-UHFFFAOYSA-N 363.348 4.335 0 40 FIAB COc1ccc(C2=CCN(C(=O)c3ccccc3Br)CC2)cc1 40119683 POFIPPXUQIJIDS-UHFFFAOYSA-N 372.262 4.387 0 40 FIAB CCCCC[C@@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140240 RUSNHOFQTGLKRU-QGZVFWFLSA-N 373.518 4.359 0 40 FIAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CCC[C@@H](C(F)(F)F)C1 40142088 KFPZRLHAEJZEPI-DZGCQCFKSA-N 370.415 4.388 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 44946867 OGUIGYZYUGDZMV-SFHVURJKSA-N 363.413 4.042 0 40 FIAB CC(=O)NCc1ccc(C(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)cc1 48343541 WPXZTHFTFKRWDF-FQEVSTJZSA-N 370.468 4.369 0 40 FIAB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc(O)c(Cl)c1 49546791 MUOQMYVGHVHCHE-AWEZNQCLSA-N 351.859 4.421 0 40 FIAB Cc1nn(C)c2c1[C@H](c1cc(C(F)(F)F)ccc1F)SCC(O)=N2 49547825 OQXVTOODKLVLPN-ZDUSSCGKSA-N 359.348 4.311 0 40 FIAB CSCC[C@@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 49595334 ZPXKYDHKEXOBTP-GOSISDBHSA-N 365.502 4.205 0 40 FIAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1cccnc1)CO3 57105560 WCZARVYUBWQLPO-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB biogenic Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)cn1 57626451 MTXXSRKMMYOGKP-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB CCCCCC(=O)N[C@H](CCCC)C(=O)Nc1cccc(N2CCCC2)c1 58191859 YXLVTYOCAZMUIC-HXUWFJFHSA-N 373.541 4.481 0 40 FIAB C[C@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@@H](C)O1 58358069 NJZFSINFUHZIAU-IYBDPMFKSA-N 366.436 4.078 0 40 FIAB CCN1C[C@@H](CN(C)C(=O)Nc2ccccc2Cl)Oc2ccccc21 65474606 IVLOQWFDGHOHMG-CQSZACIVSA-N 359.857 4.091 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502227 HVIZVCUDRUQZBQ-QWRGUYRKSA-N 353.369 4.177 0 40 FIAB CCc1ccc(CN2CC[C@]3(CCCN(Cc4nccs4)C3)C2)cc1 96215811 LBMOANJEOXTYGQ-NRFANRHFSA-N 355.551 4.194 0 40 FIAB Cc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4cccnc4)C3=C(O)C2)cc1 102668213 ASLMFYZAWDNSGR-UZLBHIALSA-N 357.417 4.047 0 40 FIAB Cc1nc(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)cs1 206991208 ULJFOBWKJCFZGB-HNNXBMFYSA-N 352.912 4.425 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219561915 JKAIERPOUIWGMR-SJORKVTESA-N 369.461 4.271 0 40 FIAB COc1ccc(CC(=O)NCCSCc2ccccc2Cl)cc1C 222858192 MJZHWJFBXJHZFA-UHFFFAOYSA-N 363.910 4.249 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225211765 ZAOJZAFVOUPDKC-OXJNMPFZSA-N 371.477 4.355 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)s1 225431790 LMDRIAWQDLFEGI-LLVKDONJSA-N 353.538 4.468 0 40 FIAB COc1ccc2sc(OC3CCN(C(=O)OC(C)(C)C)CC3)nc2c1 225524824 FJRFWXZQVCKOQL-UHFFFAOYSA-N 364.467 4.083 0 40 FIAB CC1(C)C[C@@H](NC(=O)Cc2cccc(Br)c2)c2ccccc2O1 225620751 QHUKNXUZFLJCOI-MRXNPFEDSA-N 374.278 4.410 0 40 FIAB COC(=O)c1c(NC(=O)CCc2ccc(F)cc2)sc2c1CCCC2 225730233 YCNAEFJQQCPMCB-UHFFFAOYSA-N 361.438 4.124 0 40 FIAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1cccc(OC(C)C)c1 225787611 KNXJZSIOIRULBS-OAHLLOKOSA-N 374.506 4.236 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1cc2ccccc2s1 245093452 RODCTTCGUPNORB-OAHLLOKOSA-N 372.515 4.014 0 40 FIAB CC(C)Oc1cccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1 260759290 FWANPHAVPSLNOD-MDASCCDHSA-N 353.491 4.458 0 40 FIAB COc1cc(COc2ccc(CO)cc2)ccc1OCc1ccccc1 408539507 ICDJZTDASRUNIL-UHFFFAOYSA-N 350.414 4.346 0 40 FIAB CCCCSC1=NC(C)=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N1 408992065 RWLAHEOALIMYHS-CQSZACIVSA-N 372.321 4.286 0 40 FIAB O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc[nH]c1C1CC1 585082066 XASXLRZACQEOKR-ZDUSSCGKSA-N 364.276 4.208 0 40 FIAB CC(C)[C@@H]1N(C(=O)NCCc2cccc(C(F)(F)F)n2)CC12CC=CC2 645516857 SEZYZVKSMOCXRC-INIZCTEOSA-N 367.415 4.029 0 40 FIAB CCC(C)(C)C(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775968286 XJTRAIKRKMIFOI-UHFFFAOYSA-N 358.404 4.154 0 40 FIAB COc1ccc(CNC(=O)NCc2cc(-c3ccoc3)cs2)cc1OC 1775969828 MYEOLGWWFHWHQH-UHFFFAOYSA-N 372.446 4.025 0 40 FIAB CCOc1ccc(NS(=O)(=O)c2cc(C(C)C)c(C)cc2OC)cc1 1775971418 QIYXPLFFYKKCCS-UHFFFAOYSA-N 363.479 4.327 0 40 FIAB O=C(Nc1cccc(NC(=O)c2nccc3ccccc23)c1)c1ccco1 1337712 GJVHEWNSKJVPJM-UHFFFAOYSA-N 357.369 4.332 0 40 FIAB CC(=O)N1c2ccc(-c3csc(NC(=O)CC(C)C)n3)cc2C[C@@H]1C 1365473 UNJDWYOPSPXGBE-LBPRGKRZSA-N 357.479 4.092 0 40 FIAB Cc1cccc(Cl)c1N1C(=O)c2ccc(Br)cc2C1=O 1438062 IWKLWLVLYGJPSZ-UHFFFAOYSA-N 350.599 4.212 0 40 FIAB Cc1ccccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 1972556 NJDGQEUPOZVTRL-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 2628913 BZKIAZHGRPWAON-UHFFFAOYSA-N 364.367 4.103 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 3904410 UFMOTNAISQKEDK-KZYCEEORSA-N 357.494 4.222 0 40 FIAB biogenic CCOP(=O)(OCC)C(NC(=O)Cc1ccccc1)=C(Cl)Cl 4070246 DQJFIOKHOMPAMO-UHFFFAOYSA-N 366.181 4.216 0 40 FIAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 4123288 NRSXQILKJPSTCG-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB CC(C)(C)OC(=O)NCCc1nnc(SCc2ccccc2Cl)o1 4312990 XDUOIDVVOINODD-UHFFFAOYSA-N 369.874 4.083 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(Cl)cc1 4676035 OAKHBFOEGJTVPH-HNNXBMFYSA-N 358.869 4.196 0 40 FIAB COc1ccccc1CN(C)C(=O)CSc1nc2ccccc2s1 5216332 OAEKYURQWHCUGT-UHFFFAOYSA-N 358.488 4.056 0 40 FIAB O=C(Nc1ccccc1F)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269481 WVPARNCUJXVDFZ-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 5347148 ZKYBVFAAEPBYGG-LLVKDONJSA-N 366.339 4.070 0 40 FIAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3cc(C)ccc3C)n2)c1 5520054 YBLITDAZQWAGRU-UHFFFAOYSA-N 352.463 4.128 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCC3CCCCC3)o2)cc1 5863924 OKPTXYHEOFQXOK-AWEZNQCLSA-N 359.495 4.222 0 40 FIAB CCOc1ccccc1OCC(=O)N(C)[C@H](C)c1nc2ccccc2s1 6552477 PVJFWFJFOOEUKG-CQSZACIVSA-N 370.474 4.293 0 40 FIAB COc1cc(C=O)ccc1Oc1ncnc2sc3c(c12)CC[C@H](C)C3 6559270 IRVYHCOSXIRTAV-NSHDSACASA-N 354.431 4.430 0 40 FIAB O=C(Cc1ccccc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 6885062 AHFLJJFQWMCDND-UHFFFAOYSA-N 361.879 4.005 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 7265114 SKCVSQYVQOOUOD-UHFFFAOYSA-N 364.376 4.339 0 40 FIAB CCOc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)ccc1OC 7989912 WSYYVPRZWFVTPH-UHFFFAOYSA-N 364.373 4.234 0 40 FIAB Cc1ccccc1CN(C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8072567 LVLMOPGOZIXCFZ-UHFFFAOYSA-N 366.461 4.107 0 40 FIAB CC(=O)Nc1ccc(C2=Nn3cc(-c4ccccc4)nc3S[C@H]2C)cc1 8342584 AHVNKJABJAXEEF-ZDUSSCGKSA-N 362.458 4.255 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)ccc3C)[nH]2)cc1 8770067 BTFLRZDYZUZNLT-UHFFFAOYSA-N 367.474 4.433 0 40 FIAB Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)NC3CCCC3)s2)c1 8770929 KQRUEPGGDVMVAW-UHFFFAOYSA-N 358.467 4.076 0 40 FIAB Cc1ccc2nc(CSCc3cccc(C(F)(F)F)c3)cc(=O)n2c1 9449670 CTZHGPFWGZJFDR-UHFFFAOYSA-N 364.392 4.455 0 40 FIAB CCNC(=O)c1cccc(NC(=O)CNc2ccccc2-c2ccccc2)c1 10185959 LBJGUOUAUJPLPW-UHFFFAOYSA-N 373.456 4.154 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)cc1 10338131 YQSZSBJRUZQCDA-UHFFFAOYSA-N 352.522 4.371 0 40 FIAB Cc1oc2ccc(O)cc2c1C(=O)N1CCC(OCc2ccccc2)CC1 12206066 YNKRSRWRIWJAIP-UHFFFAOYSA-N 365.429 4.268 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(F)c(Cl)c1 12548867 RESDWDDTHIMSRE-UHFFFAOYSA-N 371.721 4.486 0 40 FIAB CC(=O)Nc1cccc(NCC(=O)Nc2cccc(Cl)c2Cl)c1C 12813275 OAOOQMHFFCBWSP-UHFFFAOYSA-N 366.248 4.311 0 40 FIAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)C1 12849179 AYQJPZAERJSSBD-LBPRGKRZSA-N 372.469 4.248 0 40 FIAB CCCc1noc([C@@H](C)Sc2n[nH]c(/C=C/c3ccc(F)cc3)n2)n1 12863908 AKBZGODQSGYOQE-PFEDMVJOSA-N 359.430 4.303 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC3)cc(Cl)c1OC 13059552 VGCXKVCUWIEAJE-RMKNXTFCSA-N 357.837 4.498 0 40 FIAB O=C1C[C@@H](c2ccccc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 13634175 JIFDFHZZXYQLFN-HNNXBMFYSA-N 374.831 4.357 0 40 FIAB Cc1ccn2c(=O)cc(CN(Cc3ccc(C(C)C)cc3)C3CC3)nc2c1 16397108 QFNINMFBUPDDEO-UHFFFAOYSA-N 361.489 4.291 0 40 FIAB Cc1cccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c1C 16768976 YPIQNGGQRILNNI-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C 22019292 UZUMZIZXOCWINE-UHFFFAOYSA-N 350.466 4.470 0 40 FIAB OC1CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 26858840 TYWBVKDSCCREPI-UHFFFAOYSA-N 367.880 4.149 0 40 FIAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc2c3c(cccc13)CC2 27140251 AQQLWGCLGGXWEF-UHFFFAOYSA-N 370.496 4.464 0 40 FIAB O=C(OCCCCCCN1CCOCC1)C1(c2ccccc2)CCCCC1 31623631 UNRIQAWPIQWRBT-UHFFFAOYSA-N 373.537 4.324 0 40 FIAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(Cl)c1 32817155 NYJHCKNENGXAQN-UHFFFAOYSA-N 363.866 4.309 0 40 FIAB CCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccoc1C 32908183 IYWQCMCSWBMEKO-UHFFFAOYSA-N 373.463 4.270 0 40 FIAB CC1CCC(NC(=O)c2nc(NCc3ccccc3)ncc2Cl)CC1 32932106 RTAGBKSQRREVOD-UHFFFAOYSA-N 358.873 4.051 0 40 FIAB Cc1cc2nnc(SCCOc3ccc4ccccc4c3)n2c(C)n1 33030179 AVEJAMKQHVGDQU-UHFFFAOYSA-N 350.447 4.065 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3cccc(C)c3)C2=O)cc1 33450481 ZJLNJAIEGFCEHA-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)c2sc(-c3ccsc3)nc2C)on1 47266629 NWAAMJRUCNEBPE-ZDUSSCGKSA-N 359.476 4.454 0 40 FIAB O=C1OCCN1c1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1 58166508 IDOWXYSBRYMWLC-MRXNPFEDSA-N 357.435 4.074 0 40 FIAB COc1cc(NC(=S)Nc2cccc(Cl)c2F)cc(OC)c1OC 71760626 PZXNHBQXHNDSBX-UHFFFAOYSA-N 370.833 4.314 0 40 FIAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1 72414254 CIOGESZQRDWKBA-UHFFFAOYSA-N 362.838 4.006 0 40 FIAB CCCCCN(C(=O)Nc1nc(CC(=O)OCC)cs1)[C@@H](C)CCC 78821454 CTRKVAHVOUDJEG-AWEZNQCLSA-N 369.531 4.461 0 40 FIAB Cc1ncc(CN(C)C)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116491 KGRGUQADXGBHCV-UHFFFAOYSA-N 374.440 4.460 0 40 FIAB biogenic CC(=O)C(Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(C)=O 101082434 LZCIVUTUKZZCQP-UHFFFAOYSA-N 360.435 4.136 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 110385800 YEFFYMICJWFTIL-USTZCAOPSA-N 356.510 4.493 0 40 FIAB CC(C)(C)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 139959561 MAFVTWPANLDWRZ-AWEZNQCLSA-N 353.418 4.214 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Cc2ccncc2)cc1 193747483 GYYGIXURCPBJDF-UHFFFAOYSA-N 374.440 4.015 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccccc2)on1 198753528 QIZVWDUTOLEKTI-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB COc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)C)cc1OC 223744987 LKCYARBQTNLUQH-ZRDIBKRKSA-N 369.461 4.036 0 40 FIAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(F)cc1 224914805 LWFIPWPMHILPEV-UHFFFAOYSA-N 372.259 4.112 0 40 FIAB Cc1nn(CC(C)C)c(C)c1NC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 257173466 OICSQGOFNIUYCX-QGZVFWFLSA-N 365.481 4.219 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC)c(C)c3)N21 260762826 HNAMTAANIYPADF-LZQZEXGQSA-N 353.491 4.378 0 40 FIAB CC[C@H](Sc1nc(O)c2c(C)csc2n1)C(=O)Nc1ccccc1 408595741 MYXOLCHRJIOJSK-LBPRGKRZSA-N 359.476 4.215 0 40 FIAB COc1ccc(-c2ccc(NC(=O)[C@H]3CCC(=O)C[C@H]3C)nc2)cc1Cl 548417972 HOQPYHTUYFFWOM-WBMJQRKESA-N 372.852 4.354 0 40 FIAB C[C@H]1CCN(C(=O)Cn2cnc3cc(F)c(F)cc32)c2ccccc2S1 642611809 BQFFYYULMZTXMY-LBPRGKRZSA-N 373.428 4.232 0 40 FIAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2ccccc2)s1 1342165 WRUIFQDVKFZMOG-UHFFFAOYSA-N 356.491 4.152 0 40 FIAB Cc1nc2nc(-n3c(C)ccc3C)nn2c(C)c1C/C=C/c1ccccc1 1394971 WNUSSGKBDZOXHN-DHZHZOJOSA-N 357.461 4.405 0 40 FIAB O=C(COC(=O)CCc1ccccc1)Nc1cc(Cl)cc(Cl)c1 1934479 XIYRMPOZKOFXRZ-UHFFFAOYSA-N 352.217 4.108 0 40 FIAB CCN(CC)C(=O)COc1c(-c2ccc(C)cc2)oc2ccccc2c1=O 1994304 HJJZIOCHXFSNRQ-UHFFFAOYSA-N 365.429 4.016 0 40 FIAB CCOc1cc(CNCCc2c(C)[nH]c3ccc(OC)cc23)ccc1OC 2192635 GVXIRDNERWUKFH-UHFFFAOYSA-N 368.477 4.225 0 40 FIAB O=S(=O)(Nc1cccc(Br)c1)c1ccc(F)c(Cl)c1 2643897 KOOHPQLYSJBLRV-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB Sc1nnc([C@@H]2C[C@H]2c2ccccc2)n1-c1cnn(Cc2ccccc2)c1 2809238 GKABADWWWJNTCF-RBUKOAKNSA-N 373.485 4.072 0 40 FIAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1F 3226692 LGFSJLNZSGHHDI-UHFFFAOYSA-N 363.388 4.140 0 40 FIAB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 3237383 AKBPTJHQWGRUPG-QMMMGPOBSA-N 373.623 4.226 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)cc1 4349291 OQMCWJFJGPIMNS-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1 4602399 LQYVKKDZDLJCOZ-UHFFFAOYSA-N 373.409 4.005 0 40 FIAB O=C(O)C[C@H](NC(=O)c1ccccc1F)c1ccc(OC2CCCC2)cc1 4653996 WUYMJOMTNBSLDS-IBGZPJMESA-N 371.408 4.093 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2ccccc21 5869740 LZKPTZVTRUAKLG-UHFFFAOYSA-N 372.371 4.038 0 40 FIAB COc1ccccc1-n1cnnc1SCc1coc(-c2cccs2)n1 6082029 CNZIBNZYNQWKLA-UHFFFAOYSA-N 370.459 4.285 0 40 FIAB Cc1ccc2c(CC(=O)Nc3nnc(Cc4ccccc4)s3)coc2c1 6334370 HDEGHWNMIIHYBR-UHFFFAOYSA-N 363.442 4.365 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C)c1 6472741 YCIKINCSEYHBQA-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)c1ccccc1Cc1ccccc1 6580261 ZQEOCXNLTDTZQO-UHFFFAOYSA-N 372.468 4.366 0 40 FIAB Cc1ccc(-c2nnc(SCCO)n2-c2ccccc2C(C)C)cc1 6979483 KRYYKWVVEPDFDT-UHFFFAOYSA-N 353.491 4.451 0 40 FIAB COc1ccccc1-c1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)s1 7109612 YCNSCBCKHSIZFR-UHFFFAOYSA-N 374.487 4.166 0 40 FIAB Cc1ccc(C)c(CSCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 7150164 MMAHLLYFZXFJRN-UHFFFAOYSA-N 368.502 4.301 0 40 FIAB O=C(CSc1nnc(-c2ccccc2F)o1)c1ccc2c(c1)CCC2 7192002 MIENOAGRETYPCH-UHFFFAOYSA-N 354.406 4.339 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(C)c2C)CC1=O 7928216 UZBBTCSCHRRHEV-IBGZPJMESA-N 364.489 4.420 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccccc2C)cc1C 8558464 XJKLFZSSGJDTRB-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3ccccc3C=O)o2)cc1 8731658 HWSSBGFZHYLCNR-UHFFFAOYSA-N 354.431 4.419 0 40 FIAB CCCCC(=O)Nc1nc(-c2ccc(CC[C@@H](C)NC(C)=O)cc2)cs1 9335915 YTTZFOYJLNHOHO-CQSZACIVSA-N 373.522 4.396 0 40 FIAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccco1 9454206 AILCJKCCOGGSBW-UHFFFAOYSA-N 355.221 4.077 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)CCc2ccco2)n1 9503898 RGKAMGRZLWFGCH-UHFFFAOYSA-N 373.409 4.072 0 40 FIAB CC(C)[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1 10368001 WTCDKFUEZILRLH-FQEVSTJZSA-N 365.477 4.232 0 40 FIAB COc1cc(CNc2ccccc2N2CCCC2=O)ccc1OC(F)F 11618334 QJVCDRXYQGKAIF-UHFFFAOYSA-N 362.376 4.036 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 12156760 KNVPTEGXMPMPTQ-SFHVURJKSA-N 354.450 4.177 0 40 FIAB COc1cccc2ccc(-c3nn4c(-c5ccccc5)nnc4s3)nc12 12409876 INSPOZCBSBNJJL-UHFFFAOYSA-N 359.414 4.077 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CC=CCC1 12481744 QIOHYBKFFCRLCO-GFCCVEGCSA-N 355.265 4.137 0 40 FIAB Cc1nnc(SCc2ccc(-n3cccn3)cc2)n1Cc1ccccc1 12799707 NMRFUDVAVYNODJ-UHFFFAOYSA-N 361.474 4.113 0 40 FIAB CCN1CCc2nc3ccccc3c(C(=O)Nc3ccc(C(C)=O)cc3)c2C1 13986686 ZMWYRYPXVQFUNI-UHFFFAOYSA-N 373.456 4.068 0 40 FIAB Cc1ccc(-c2nc(C(=O)OCCOc3ccccc3F)cs2)cc1 14197836 UIFGIMIXOKPCHB-UHFFFAOYSA-N 357.406 4.493 0 40 FIAB Cc1ccc2[nH]c(SCCCc3nc(-c4ccncc4)no3)nc2c1 14729367 MZUMCZBSYASLRU-UHFFFAOYSA-N 351.435 4.041 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc(Br)s1 16341682 WJPFDCMBTBCBQM-JTQLQIEISA-N 371.275 4.109 0 40 FIAB FC(F)(F)c1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1 17075061 MANWCPOFHPXUKK-UHFFFAOYSA-N 365.424 4.224 0 40 FIAB O=C(CC1CCCCC1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19294029 LNJBMMIGVPGPDJ-UHFFFAOYSA-N 357.429 4.412 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN1[C@@H](c2cccs2)N2CCC31CC2 19563302 MBVTUVHXRQMZSK-FQEVSTJZSA-N 365.502 4.100 0 40 FIAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCC[C@H]1CC 20462395 VRDZNDFQOOMGSS-SJLPKXTDSA-N 366.933 4.268 0 40 FIAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccccn1)CO3 20648620 LRQIYHCIMOXNMW-UHFFFAOYSA-N 350.418 4.196 0 40 FIAB CCCc1nc2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2s1 22254974 WRYDTOWEBNHZMG-UHFFFAOYSA-N 368.458 4.201 0 40 FIAB O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCc2sccc2C1 22597783 OYQWBCQRHPLQTI-UHFFFAOYSA-N 358.463 4.138 0 40 FIAB COc1ccc(-c2csc3c(=O)n(Cc4ccccc4C)cnc23)cc1 23126638 GRVKMIQYOFUUDG-UHFFFAOYSA-N 362.454 4.490 0 40 FIAB Cc1ccc(SCCNC(=O)c2ccc(Br)o2)cc1C 23539557 NTGRPGVFTLTGMK-UHFFFAOYSA-N 354.269 4.181 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCSc2ccc(C)cc2)c1 24342320 YGCSDEKQBAPTCM-OAHLLOKOSA-N 359.491 4.372 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)c2sccc2-n2cccc2)cc1 25155061 LMCXOGYTHCSRAJ-JXMROGBWSA-N 366.442 4.367 0 40 FIAB C[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1cccc(Cl)c1 28095187 QLZWYDWTASFLKQ-CYBMUJFWSA-N 352.825 4.365 0 40 FIAB Cc1nccn1Cc1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1 30658430 YQODNCUNYAGTKJ-UHFFFAOYSA-N 374.271 4.477 0 40 FIAB C[C@@H](OCC(F)(F)F)C(=O)Nc1nc2c(ccc3ccccc32)s1 31680839 NFGLRZQIODDVJD-SECBINFHSA-N 354.353 4.355 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(F)cc3s2)cc1Cl 32604833 DAEGHHLTMSWEOM-UHFFFAOYSA-N 356.831 4.198 0 40 FIAB O=C(Nn1cnc2ccccc21)c1nc(-c2ccccc2)n2c1CCCCC2 40072648 FTTUMVIGDWSOBT-UHFFFAOYSA-N 371.444 4.010 0 40 FIAB Cc1noc([C@H](C)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)n1 46087217 AWOJAYXHGJBIRD-HNNXBMFYSA-N 355.482 4.232 0 40 FIAB O=C(c1ccc(OCc2ccncc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 48332682 HNFJYMQIOJTXFW-MRXNPFEDSA-N 364.367 4.075 0 40 FIAB Cc1c(-c2ccc(C(=O)N3CCC(C#N)CC3)s2)noc1C(F)(F)F 59097386 ZVHVXPKTOZCJJW-UHFFFAOYSA-N 369.368 4.106 0 40 FIAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCC(C)C)CC(O)=N2 61720337 UXVRLFJGUHKTTF-LBPRGKRZSA-N 361.467 4.352 0 40 FIAB O[C@H](CO[C@H]1CCCc2ccccc21)CN1CCC[C@@H]1c1ccsc1 65554356 ROCKRECNTRVANF-TYPHKJRUSA-N 357.519 4.340 0 40 FIAB COc1cccc([C@@H](CNCc2c(F)cccc2Cl)N2CCCC2)c1 71798729 JSKDIZQMOWGQHD-HXUWFJFHSA-N 362.876 4.414 0 40 FIAB COc1ccccc1C1(c2nnc(CC3CCCCC3)o2)CCOCC1 71889976 IYDTYDZFMQXZDC-UHFFFAOYSA-N 356.466 4.298 0 40 FIAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 72227543 UFEYVZRYSCCQAN-KBPBESRZSA-N 374.284 4.139 0 40 FIAB O=C(Cc1cccc2ccccc12)NC1CCN(CCc2ccccc2)CC1 73954821 UCRJSTDZLGGGIB-UHFFFAOYSA-N 372.512 4.206 0 40 FIAB C[C@H]1CCCN(CCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 75572449 KFPGUDSFPVFXQC-AWEZNQCLSA-N 373.419 4.219 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1c[nH]nc1-c1ccccc1 89591133 HLQNQNHTGSWJEP-ZDUSSCGKSA-N 355.825 4.445 0 40 FIAB Cc1csc(SCC2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 90608118 OYMWPLNWYYXGEW-UHFFFAOYSA-N 368.474 4.374 0 40 FIAB Cc1cc(CN2CCC[C@@H](Cc3nccn3C)C2)cc(C)c1OC(F)F 95468639 GCICORIQJIFEIU-INIZCTEOSA-N 363.452 4.093 0 40 FIAB COC(=O)c1ccc(C(=O)NCc2ccccc2-c2ccsc2)cc1 96122891 CZQZVXJDBJJQJK-UHFFFAOYSA-N 351.427 4.132 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2ncnc3sc4c(c23)CCCC4)cc1 96305952 ZFZOEGMVMOYWSR-DHZHZOJOSA-N 365.458 4.231 0 40 FIAB COc1cc2c(cc1OC)[C@H](C13C[C@@H]4C[C@H](CC(Cl)(C4)C1)C3)NCC2 100676332 HSDXWRHEZLIHTH-YPZNOCEUSA-N 361.913 4.468 0 40 FIAB Cc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccccc3O)CC2=Nc2ncnn21 102600916 ORCRHUHORQBNJY-LHSJRXKWSA-N 372.428 4.357 0 40 FIAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 103717851 LMJZJGUWUFDBMQ-AWEZNQCLSA-N 354.425 4.115 0 40 FIAB CCOc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1OC(F)F 105118657 UQHQGFVDIODDAP-PWNZVWSESA-N 353.409 4.241 0 40 FIAB Cc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)s1 194743457 JCBJAQPIBVUFDG-DZGCQCFKSA-N 371.289 4.485 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2Cl)c1C 219055972 PLTFPAONQAYWQO-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 219309445 LJXQDZHVNNGTLF-SFHVURJKSA-N 355.478 4.218 0 40 FIAB O=C(c1ccc2nsnc2c1)N1CCS[C@@H](c2cccs2)CC1 219502806 JLPAVOFGUPFERY-OAHLLOKOSA-N 361.517 4.073 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1Cl 222828383 YQAUBGZWJKDZGV-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB C[C@@H](NS(=O)(=O)Cc1ccccc1Cl)c1ccc2c(c1)CCCC2 222950784 QLMAMKNOIUHAMY-CQSZACIVSA-N 363.910 4.399 0 40 FIAB CCCc1ccc(OCCNC(=O)c2cc3cccc(OC)c3o2)cc1 224097610 NYUWJXFPRIPYOB-UHFFFAOYSA-N 353.418 4.203 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F 224885579 XTWRRIIIRRULSL-UHFFFAOYSA-N 362.832 4.190 0 40 FIAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1 226288105 XPIFMNMCEJEYIL-UHFFFAOYSA-N 358.397 4.108 0 40 FIAB CCCOC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 257321775 WDEKGLKACCPJTK-UHFFFAOYSA-N 362.470 4.289 0 40 FIAB O=C(O)c1ccc(NS(=O)(=O)c2csc3ccccc23)cc1Cl 504586775 OTWOSSNDGSRQMF-UHFFFAOYSA-N 367.835 4.054 0 40 FIAB Cn1ccc([C@H]2CCCN(C(=O)CC(c3ccccc3)c3ccccc3)C2)n1 575617156 ZUVVSPFVBYXEPN-NRFANRHFSA-N 373.500 4.348 0 40 FIAB CC1(C)CC[C@H]2CN(C(=O)Cc3ccc4c(c3)CCCC4)CC[C@@]2(C)O1 585286815 VLDCZNIBSGGWTQ-NZQKXSOJSA-N 355.522 4.304 0 40 FIAB O=C(NCc1ccc2occc2c1)Nc1ncc(C2CCOCC2)s1 667181537 FSJGQFLOFUYVFA-UHFFFAOYSA-N 357.435 4.105 0 40 FIAB CCN(CC)c1ccc(C(=S)N2CCN(c3ccccc3C)CC2)cc1 702305 BXEPXTZRWROFAH-UHFFFAOYSA-N 367.562 4.339 0 40 FIAB O=C(NC(=S)N(Cc1ccccc1)c1ccccc1)c1cccs1 823358 NIPNCKVIDNRMSC-UHFFFAOYSA-N 352.484 4.470 0 40 FIAB CCOc1cc(C(=O)N2CCCc3ccccc32)cc(OCC)c1OCC 851815 YVIURZKXSCMYOQ-UHFFFAOYSA-N 369.461 4.476 0 40 FIAB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1cccc(Cl)c1 979657 OHCSFSKMBOMXFH-SXGWCWSVSA-N 374.849 4.066 0 40 FIAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1cccc(C)c1C 1338184 WQVNXIAAMOTBDJ-UHFFFAOYSA-N 370.474 4.443 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCCSCc1ccccc1 1755951 ODAGRWDHKXEOIT-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1ccc(Cl)c(Cl)c1 2310517 XTYVIHBWMOVESC-GFCCVEGCSA-N 352.217 4.266 0 40 FIAB COC(=O)c1cc(CSc2nnc3c(Cl)cc(Cl)cn23)oc1C 2657250 NBDKOCIPKWWLHD-UHFFFAOYSA-N 372.233 4.016 0 40 FIAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccncc1 3509370 JETSHZLQDICKTH-UHFFFAOYSA-N 362.410 4.068 0 40 FIAB CCCC[C@H](CC)CNC(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 4680140 KCQFSLDPZHKGJH-RMJOCGACSA-N 362.558 4.184 0 40 FIAB Cc1cccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1 4714268 KJDJQKFSVOFKKR-IBGZPJMESA-N 350.443 4.107 0 40 FIAB COc1ccc(NC2(c3nnnn3-c3ccc(C)cc3)CCCCC2)cc1 5002699 JZOJRKASBSMPGS-UHFFFAOYSA-N 363.465 4.251 0 40 FIAB CC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)OC(C)C)cc2)cc1 6328049 MGWDZEIEIHNDOW-UHFFFAOYSA-N 356.447 4.263 0 40 FIAB CC(C)c1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 6763086 UGXFCBBKPVDHQW-UHFFFAOYSA-N 356.535 4.383 0 40 FIAB NC(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 6822719 KJDQQONZEHXLBI-UHFFFAOYSA-N 369.424 4.046 0 40 FIAB Cc1cc2oc(=O)cc(C)c2cc1OCC(=O)Nc1ccc(Cl)cc1 6922330 UDAIKGYGXLOGME-UHFFFAOYSA-N 357.793 4.081 0 40 FIAB CC(C)(C)c1cc(CCC(=O)NC2=NCCS2)cc(C(C)(C)C)c1O 7038869 BKPWEZXKDCERQC-UHFFFAOYSA-N 362.539 4.139 0 40 FIAB CCOc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OCC 7670987 DTVHKSHMZDNFJN-UHFFFAOYSA-N 353.418 4.203 0 40 FIAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1c(F)cccc1F 8863014 SCMPRDBZWJYSRR-QGZVFWFLSA-N 364.461 4.373 0 40 FIAB Cc1ccc(-c2nn(Cc3ccc(F)cc3)c(=O)c3nc(C)sc23)cc1 8955141 JXZRLDBWGWXIRV-UHFFFAOYSA-N 365.433 4.324 0 40 FIAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C(C)C 9060193 RGIYHGMUVHKRAZ-UHFFFAOYSA-N 368.481 4.279 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)o1 10032127 LEUZXFFDHBZXQV-ZDUSSCGKSA-N 371.437 4.154 0 40 FIAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1 10314550 OWVCIOVNDHKDGU-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB CC(C)[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1 10368004 WTCDKFUEZILRLH-HXUWFJFHSA-N 365.477 4.232 0 40 FIAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC 11379293 OKBJXPVZYDSZRG-UHFFFAOYSA-N 370.380 4.069 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(Br)cc1 11865916 TXXHUIALXYOQTD-UHFFFAOYSA-N 362.252 4.257 0 40 FIAB Cc1ccc(-c2nsc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 11914391 DSIREZBYEJGJBL-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB CCCc1ccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)s1 12330699 MZZCXFAGFUQPML-UHFFFAOYSA-N 374.525 4.467 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@H]2CCN(C)C[C@H]2C)cc1 12336896 WUCVKGXWHXZAPW-KDOFPFPSSA-N 355.482 4.064 0 40 FIAB COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(C2CC2)CO4)cc1 12442391 JZRVUOPAZOSRIV-UHFFFAOYSA-N 363.413 4.091 0 40 FIAB biogenic Cc1ccccc1CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 12601566 CTSQKZNPYZAMPA-UHFFFAOYSA-N 361.470 4.230 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12603842 MRVKXSIZKIUPDW-FQEVSTJZSA-N 358.445 4.190 0 40 FIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4ccc(F)cc4)[C@H]3C=C12 12661713 FFSNVRAKSCJUEN-OTGHWYDRSA-N 371.496 4.272 0 40 FIAB biogenic COc1ccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2F)cc1 12971562 HEGRYSJXKXWPKE-SFHVURJKSA-N 362.832 4.263 0 40 FIAB CSc1cccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 12985077 SZAZQHCKOFKAGY-UHFFFAOYSA-N 372.534 4.070 0 40 FIAB O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)c1ccoc1 13012502 WDOYBFIFYVIYMZ-UHFFFAOYSA-N 365.429 4.448 0 40 FIAB Cc1ccc(NC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c(Cl)c1 14075944 PJTCICFGXHMQHW-HNNXBMFYSA-N 366.248 4.040 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(F)cc1F 14232960 IQGNNGFORGLXNK-UHFFFAOYSA-N 369.723 4.020 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)Cn3nnc4ccccc43)ccc21 14287733 LVQPMHZWABAOOZ-UHFFFAOYSA-N 369.428 4.198 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 14739581 PIVUPUGKRUATCA-GOSISDBHSA-N 350.462 4.106 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1cccc(Cl)c1 21598600 ZRSLRWPHWGKUOM-NSHDSACASA-N 361.854 4.262 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1c(-n2cccc2)sc2c1CCCC2 21887253 WJILZODNJYFYJE-UHFFFAOYSA-N 366.442 4.399 0 40 FIAB Cc1cc(-n2c(C)cc(C(=O)N[C@H](C)CCc3ccccc3)c2C)no1 22008417 MEQDHRKQOZGSMN-CQSZACIVSA-N 351.450 4.142 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)CN(C)C(=O)c3ccco3)cc2)cc1 24832701 NHIUYBYVPCZHSG-UHFFFAOYSA-N 364.401 4.091 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)NCc1ccccc1OC(F)(F)F 24925602 UCABFPDKUAZJDK-ZDUSSCGKSA-N 352.356 4.454 0 40 FIAB Cc1cc(C)n(-c2ccccc2NC(=O)c2cc(-c3ccccc3)[nH]n2)n1 25013884 SYBGKYKVHGRFRS-UHFFFAOYSA-N 357.417 4.132 0 40 FIAB CCC[C@@H](NC(=O)[C@@H](C)Nc1ccc(OC)cc1OC)c1ccccc1 28795631 MXGSXRLZKWSQRK-CRAIPNDOSA-N 356.466 4.162 0 40 FIAB CCOc1cccc(CNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 30751971 PAMYCUWQWCJNQX-GOSISDBHSA-N 366.505 4.247 0 40 FIAB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc2ccccc2c1 35685949 UKUYPCRFMFVLEN-UHFFFAOYSA-N 369.442 4.143 0 40 FIAB COc1cccc2c(SCC(=O)NCc3ccccc3Cl)nccc12 36708204 ZFXQHKUYFWWHMF-UHFFFAOYSA-N 372.877 4.305 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccccc3SC(C)C)CC2)c1 40012274 PHQWOBCFORIJRM-UHFFFAOYSA-N 354.519 4.458 0 40 FIAB Cc1cc(C)n2nc(S[C@@H](C)c3nc4ccccc4n3C(F)F)nc2n1 40018121 NQGCCIQWSPEHEW-NSHDSACASA-N 374.420 4.339 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C)c2nnnn2-c2ccccc2)c1 40127551 BVZCZZSBTQFHBC-OAHLLOKOSA-N 362.462 4.010 0 40 FIAB Cc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140089 VKUBRGJAWZVDSI-UHFFFAOYSA-N 353.372 4.200 0 40 FIAB O=C(CCc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 45972102 FPTBGIWCYTVQQY-UHFFFAOYSA-N 363.288 4.275 0 40 FIAB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 47080695 ZHCIOKVTVFRBRQ-GDNBJRDFSA-N 373.430 4.018 0 40 FIAB COc1ccc2cc(CN[C@@H](CN3CCCC3=O)c3ccccc3)ccc2c1 47794691 BGVQBTJMCDNJNQ-QHCPKHFHSA-N 374.484 4.302 0 40 FIAB COc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1Br 48342943 LGEMPDKSRHSPCJ-LLVKDONJSA-N 355.276 4.151 0 40 FIAB Cc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)ccc1F 51364566 CCINFSWURFSKNE-KRWDZBQOSA-N 362.404 4.293 0 40 FIAB O=C(c1cc2c(s1)CCCCC2)N(Cc1cccnc1)C[C@H]1CCCO1 55800112 DUZSCUDLTZIISL-GOSISDBHSA-N 370.518 4.233 0 40 FIAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2cccc(Cl)c2)CC1 57395824 JJXYUSIQKAYSIP-CYBMUJFWSA-N 374.897 4.335 0 40 FIAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2ccccc2Cl)CC1 57452420 AQIUILOXPXQORB-CYBMUJFWSA-N 374.897 4.335 0 40 FIAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCc4ccc(F)cc43)cc12 58741701 TWICITKQNFJFMD-UHFFFAOYSA-N 357.454 4.404 0 40 FIAB C[C@H]1C[C@H](C)CN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 58971871 WPGLFWXZMWUNLA-IRXDYDNUSA-N 362.945 4.246 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(F)c(C(F)(F)F)c1 63911179 IGLOQTSNOYQPQW-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(C)C[C@@H]1CCCO1 70886132 FFBDRXBUKMYXMN-JTQLQIEISA-N 356.900 4.084 0 40 FIAB CSc1cccc(NC(=S)Nc2ccc(N3CCOCC3)cc2)c1 71761435 XYVSROMLHWOPPV-UHFFFAOYSA-N 359.520 4.054 0 40 FIAB CC1CCN(C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)CC1 71847908 HBIVBXZRGKDDIS-SIKLNZKXSA-N 354.538 4.077 0 40 FIAB CC(C)[C@H](CNCc1cccc(C(F)(F)F)c1)NC(=O)OC(C)(C)C 72286241 BJMGGQYUBRVUHG-HNNXBMFYSA-N 360.420 4.344 0 40 FIAB CCn1ccnc1CN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72350274 KNFNMJSITWRIPX-GOSISDBHSA-N 364.468 4.484 0 40 FIAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2Cc2cccnc2)n1 72360210 HVMYSVPTFMZJLQ-QGZVFWFLSA-N 366.494 4.026 0 40 FIAB O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 75165979 OCWDSBUMWJLWAD-QGTPRVQTSA-N 360.429 4.158 0 40 FIAB OCC1CCN(Cc2ccccc2NCc2c(F)cccc2Cl)CC1 78404972 WOULUBULRBBFOW-UHFFFAOYSA-N 362.876 4.296 0 40 FIAB CC(C)(C)OC(=O)NC1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1 91301938 FMHNRYDVEZHYDR-UHFFFAOYSA-N 374.481 4.093 0 40 FIAB in-vitro COc1cc(Cc2cc(-c3ccccc3)nnc2O)ccc1OC(F)F 95475609 CUYYRFLBBSZRRX-UHFFFAOYSA-N 358.344 4.050 0 40 FIAB Cc1nc2n(n1)[C@@H](c1cccnc1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102710339 AFSQDJIWWIKUSL-JXFKEZNVSA-N 357.417 4.047 0 40 FIAB COc1cc([C@H]2c3sc(O)nc3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)ccc1O 169305502 KNUWZJNVRUBDEL-QFJYNZAASA-N 361.488 4.215 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccco1 223013952 BRHKWWWVZCVZMW-QGZVFWFLSA-N 367.898 4.448 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C)cc1 223026336 SCULNNWNAPPJTN-LJQANCHMSA-N 361.869 4.309 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)CCCOc2ccc(Cl)cc2)c1 224011243 AVHVOSXPIVONAH-UHFFFAOYSA-N 361.869 4.311 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224415077 CYSNIUPERKEXTG-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1ccc(F)cc1 224459305 BGTYKGIOYIJHLM-OAQYLSRUSA-N 351.421 4.495 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 225004303 QWRVPSTZPMOWLS-KRWDZBQOSA-N 368.477 4.053 0 40 FIAB CC(C)C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 225495821 BYGVCCGUPQJZJK-IBGZPJMESA-N 369.534 4.462 0 40 FIAB O=C(c1cccc(Cl)c1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225730255 YWFPMRADMUWZHP-CQSZACIVSA-N 370.758 4.047 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Cl)cc1 225739007 XMBIWMUECGOJSX-AWEZNQCLSA-N 359.926 4.468 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2cccc(F)c2)no1 225799573 SGNCQQXUWMABJX-UHFFFAOYSA-N 359.788 4.409 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)c1 226267392 SVMVRZCWILWTME-HNNXBMFYSA-N 353.466 4.299 0 40 FIAB CCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257239421 HPDWMZLQFNUDRE-KRWDZBQOSA-N 362.857 4.009 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)o1 257324101 WNESUVVZIXZJSY-GOSISDBHSA-N 351.406 4.095 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(O)c(Cl)c3)N21 260777716 QMDJNMDWJTVICD-JLZZUVOBSA-N 359.882 4.420 0 40 FIAB Cc1cc(Br)ccc1NC(=S)NC(=O)c1cccc(F)c1 408620483 JKPXNUDLIOUTNH-UHFFFAOYSA-N 367.243 4.023 0 40 FIAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)C1=O 409221401 PVQMCGPXJWWHDH-JASJWYONSA-N 370.430 4.010 0 40 FIAB C[Si](C)(C)CCOCn1ccc2ccc(Br)cc2c1=O 514278563 VJBWGFAGUJIMIW-UHFFFAOYSA-N 354.320 4.076 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)/C=C/c2ccsc2)c2ccsc2)n1 575612937 DRKMKACRDWNBAL-IDOMTICXSA-N 357.504 4.042 0 40 FIAB CC(C)c1csc([C@@H]2CCCN([C@H](C(=O)O)c3ccccc3F)C2)n1 652424889 JYPUQIOMFHOTQD-DYVFJYSZSA-N 362.470 4.411 0 40 FIAB CO[C@H]1CCC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)c2ccccc21 1565556481 UYHBSHFXWXIVTF-IBGZPJMESA-N 366.461 4.207 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615160020 WQAWFBJLLDHOFF-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2C)cc1I 670363 LUAHWGGBTPQMRS-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CCNC(=S)N(Cc1cc2cc(CC)ccc2[nH]c1=O)C1CCCCC1 916833 DMHCLPKWZHKNKZ-UHFFFAOYSA-N 371.550 4.120 0 40 FIAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc(C(=O)OC)c1 939530 RWFQORRDQWLXJH-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB Cc1cc2nnc(SCc3cc(=O)[nH]c4ccccc34)n2c2ccccc12 976396 DDRBGBFNKZGGDL-UHFFFAOYSA-N 372.453 4.325 0 40 FIAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1 1354431 DAKHCIUKYFQQEU-UHFFFAOYSA-N 353.422 4.194 0 40 FIAB COc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 2214072 JUEDWKQCYNQAFD-RUDMXATFSA-N 354.837 4.202 0 40 FIAB COc1ccc2c(CCNC(=O)c3ccc(C(C)(C)C)cc3)c[nH]c2c1 2340119 PHICKUIRGFKRID-UHFFFAOYSA-N 350.462 4.447 0 40 FIAB biogenic O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cccc(Cl)c1 3316624 MRDIIBONLWWVPF-UHFFFAOYSA-N 374.849 4.064 0 40 FIAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CCC1 4880798 QIEGEPGPVDYZLB-UHFFFAOYSA-N 360.885 4.280 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(CSc2nncn2C(C)C)cs1 5416635 DBKHBCDNWIPJBN-UHFFFAOYSA-N 373.507 4.292 0 40 FIAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2C(N)=O)C1 5476594 HQODFABOBMNOSL-CYBMUJFWSA-N 356.491 4.231 0 40 FIAB CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 5726425 JTZTZZVWEJMKLI-YYGBOFOUSA-N 374.521 4.012 0 40 FIAB O=C(N[S@@](=O)[C@@H]1C=C[C@H]2CCC[C@H]12)O[C@H]1CCCC[C@@H]1c1ccccc1 5765933 JFJYIEIQAXWPJD-FNMUAWSMSA-N 373.518 4.457 0 40 FIAB COc1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 6352306 ZXWAPIMEFBBCSJ-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB COc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 6457759 FXLKWKYGLJWHJM-UHFFFAOYSA-N 361.441 4.303 0 40 FIAB Cc1ccc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)c1 6625563 DZRWODCXFBOJRU-UHFFFAOYSA-N 353.443 4.272 0 40 FIAB Cc1ccc([C@H](NC(=O)COc2cccc(F)c2)c2cccs2)cc1 7739982 WOEGOJIINQOPGM-FQEVSTJZSA-N 355.434 4.480 0 40 FIAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(C(=O)O)cc2)cc1 7883992 RIOBGVZRZLIRRM-NRFANRHFSA-N 372.424 4.460 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(F)cc1F)O[C@H](C)C2 8034193 DOYQYCSRGUDTRJ-RPTYSRGTSA-N 359.372 4.339 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(Cl)ccc1F 8745148 IMWXXFCJFDALSZ-LPHOPBHVSA-N 358.844 4.236 0 40 FIAB O=C1Nc2ccccc2Oc2ccc(NS(=O)(=O)C3CCCCC3)cc21 8961220 HATRKWAXVKPTPS-UHFFFAOYSA-N 372.446 4.119 0 40 FIAB COc1ccccc1-c1nc(COC(=O)c2ccc(N(C)C)cc2)cs1 11030964 SNWDZUQGERMVFO-UHFFFAOYSA-N 368.458 4.242 0 40 FIAB FC(F)(F)c1cc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2ccccc2)n[nH]1 12129181 NPLHQBRWLOOSMN-DLBZAZTESA-N 372.394 4.207 0 40 FIAB Cc1cnc(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)s1 12741090 SCYKQKFXKATILP-UHFFFAOYSA-N 372.519 4.491 0 40 FIAB COC(=O)c1cccc2c1CCCN2C(=O)c1cc2ccccc2s1 12857336 YOVRNOZBZNTJKG-UHFFFAOYSA-N 351.427 4.281 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2cccc(F)c2)cs1 12857964 TZMPXMFRTCESGK-UHFFFAOYSA-N 374.462 4.009 0 40 FIAB CCOc1cc2c(cc1NC(=O)CCC(=O)c1ccc(C)cc1)O[C@H](C)C2 12934986 FWTXBDICQDGYSY-OAHLLOKOSA-N 367.445 4.319 0 40 FIAB Cc1ccc2nc(C)c(C(=O)N3CCN(Cc4ccccc4C)CC3)cc2c1 12995294 FGARKPIWYCLBIU-UHFFFAOYSA-N 373.500 4.118 0 40 FIAB COCCN(Cc1cccs1)C(=O)c1sc(-c2ccccc2)nc1C 12998758 OUOAWGGBLZRSIR-UHFFFAOYSA-N 372.515 4.469 0 40 FIAB COc1ccccc1NC(=O)CN1CCC(CCc2ccc(C)cc2)CC1 13002578 PUCFAJMMQKBSGX-UHFFFAOYSA-N 366.505 4.287 0 40 FIAB Cn1nccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 13655338 XGDUDAXKBUUTLR-UHFFFAOYSA-N 353.234 4.103 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 13669796 CGBZNBPYIMGFLX-HNNXBMFYSA-N 361.507 4.422 0 40 FIAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14401726 OGDZMUZILREBEM-CQSZACIVSA-N 354.450 4.349 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 18048827 OJPWHRBJSHJINX-KRWDZBQOSA-N 358.445 4.013 0 40 FIAB O=C1c2ccccc2[C@H](NCCc2ccccc2)N1CCc1ccccc1 19848923 RHZZAKVHTZHLJV-HSZRJFAPSA-N 356.469 4.216 0 40 FIAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 20442836 GFOFXQXMRNMTAV-QGZVFWFLSA-N 371.820 4.112 0 40 FIAB Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1CCN1CCCCCC1 21170819 UHIQVIYSIIDJEF-OAQYLSRUSA-N 372.553 4.329 0 40 FIAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)C(C)C)ccc3o2)c1 21596353 HOLGCAJPTYKCRS-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)OCc2coc(-c3ccc(C)cc3)n2)c1C 24375235 INTDOUPHVNFGGB-UHFFFAOYSA-N 352.390 4.155 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(Cl)cc2)c1 24697962 UWSCJOLYSKWSLA-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1nc(SCCOc2ccccc2Cl)[nH]c(=O)c1CCC(C)C 26960136 VIELGSFNLDNMFQ-UHFFFAOYSA-N 366.914 4.491 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)N2CCCCC2)cc1 27748012 GYDYCOAHQNSLBM-HXUWFJFHSA-N 372.896 4.306 0 40 FIAB biogenic CCCOc1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 29764422 UMMAUVMRTJQCFI-HXUWFJFHSA-N 364.445 4.378 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 30552017 AEGJBBRWQKJHMS-SFHVURJKSA-N 368.546 4.470 0 40 FIAB Cc1csc(=O)n1CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 30889218 NEUZIBOKLSRPTQ-MRXNPFEDSA-N 366.486 4.153 0 40 FIAB Cc1c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)sc2ccccc12 32729610 UBEGNWKBSDMFMT-QGZVFWFLSA-N 356.466 4.382 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC[C@H](c1ccccc1)N1CCCC1 32732197 UMCMYPJKIQWFMS-HSZRJFAPSA-N 358.485 4.336 0 40 FIAB C[C@H](N[C@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 32855735 NKRKZNXXLKLFMF-QWHCGFSZSA-N 368.872 4.263 0 40 FIAB C[C@H](NC(=O)c1cc2ccccc2cc1O)c1ccc(-n2ccnc2)cc1 36329469 KZQPYBGHZSPWLF-HNNXBMFYSA-N 357.413 4.222 0 40 FIAB CSc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 39748369 AOWARRFLLPFILK-UHFFFAOYSA-N 358.482 4.398 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(Sc4nnc5n4CCCCC5)c23)C1 40019895 KVRPYIJXZRLWRS-LLVKDONJSA-N 371.535 4.285 0 40 FIAB O=C(CSCc1csc(-c2ccccc2)n1)NCCc1ccccc1 40067183 RDAWYNOEWWRKLQ-UHFFFAOYSA-N 368.527 4.402 0 40 FIAB COc1cc(OC)c(NC(=O)NCc2ccc(F)c(C)c2)cc1Cl 40103500 ZUVVZWVGSVNCNQ-UHFFFAOYSA-N 352.793 4.126 0 40 FIAB COc1cc(NC(=O)N[C@H](C)c2ccc(F)cc2)c(OC)cc1Cl 40103665 YWCBJWBCFILCND-SNVBAGLBSA-N 352.793 4.379 0 40 FIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1 41076985 HUKWFKSIAQLBJN-UHFFFAOYSA-N 355.825 4.236 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 44014350 OICSVQJSXVOFJU-HXUWFJFHSA-N 365.477 4.441 0 40 FIAB Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 44912260 IBSFESXMKANTFX-IBGZPJMESA-N 356.897 4.177 0 40 FIAB CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 47946103 IYVWKGNBKHGFQA-NSHDSACASA-N 363.364 4.416 0 40 FIAB COc1ccc(NC(=O)Nc2cc(Cl)c(OC)cc2OC)c(C)c1 51355946 FKJUIKDHPWSYRP-UHFFFAOYSA-N 350.802 4.318 0 40 FIAB FC(F)(F)c1nnc2sc(Cc3c(Cl)cccc3Cl)nn12 61721148 LWTLUBIDFXQGRQ-UHFFFAOYSA-N 353.156 4.102 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353853 YIRWGIRYESTJPX-NRFANRHFSA-N 371.484 4.396 0 40 FIAB CN(C)CC1CCC(NC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 83847966 KEFFOHSBRTYRMZ-UHFFFAOYSA-N 363.505 4.500 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC[C@H]1CCCN(Cc2ccccc2)C1 89834920 IPECTTDKKGVPAH-JOCHJYFZSA-N 372.512 4.411 0 40 FIAB Fc1ccc(CN[C@H]2CCN(CC(F)(F)F)C2)cc1-c1cccs1 95392522 VGAYKZKGOFILNA-ZDUSSCGKSA-N 358.404 4.280 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc(-n4cnc5ccccc54)nc3)cc2o1 95453959 IPBQHNGGZTYXNC-UHFFFAOYSA-N 369.384 4.122 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117225 VKJXITFBZWHDEG-INIZCTEOSA-N 357.841 4.162 0 40 FIAB COc1ccc(/C=C\C(=O)N[C@H](c2ccccc2)C(F)(F)F)c(OC)c1 96130187 MJSYLNGEPZNLNH-LECLMCCNSA-N 365.351 4.137 0 40 FIAB CCOc1ccc(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 100423449 JCSMQIDIYGKAQF-SFTDATJTSA-N 364.489 4.011 0 40 FIAB COc1ccc(CN(Cc2cccnc2)C(=O)C2[C@H]3CCCC[C@H]23)cc1 100731437 JYPSDDOCUHUUOY-PMACEKPBSA-N 350.462 4.055 0 40 FIAB C[C@@H](NC(=O)CSc1ccc(Br)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102159434 MFOACQKXBLKPFX-LMOYCYGVSA-N 368.340 4.482 0 40 FIAB CCOc1cc(C(=O)N2CC[C@H](C)c3cccc(O)c32)cc(Cl)c1O 186264939 XABBTPUDJQIDJZ-NSHDSACASA-N 361.825 4.304 0 40 FIAB O=C(Nc1ccccc1Br)c1ncc(-c2ccc(F)cc2)o1 206587993 XRTZJIRVXRXFRO-UHFFFAOYSA-N 361.170 4.496 0 40 FIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@H](c2ccccc2)CC1 206987973 NVPFOTOGPXMURP-HNNXBMFYSA-N 366.408 4.421 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 219547908 SWTARWBIYYSVDZ-GOSISDBHSA-N 355.478 4.218 0 40 FIAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223403419 CYNIRSZABSAWHM-HXUWFJFHSA-N 372.896 4.346 0 40 FIAB Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1Cl 225453256 JWIBEPYZCBPYLE-UHFFFAOYSA-N 356.882 4.321 0 40 FIAB Cc1c(C(=O)NCc2ccnc(-c3cccs3)c2)cnn1-c1ccccc1 225651870 QJWQRGCRWNFTOC-UHFFFAOYSA-N 374.469 4.234 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C)n1 225876639 FTHMSJNRCKFKNY-UHFFFAOYSA-N 374.868 4.129 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)c(C)c1 226253077 AFGPQIXRZBBMKX-KRWDZBQOSA-N 367.493 4.282 0 40 FIAB CC(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Br 226287462 GBPZOQZSPGSFDS-UHFFFAOYSA-N 373.250 4.204 0 40 FIAB Cc1cccc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)c1 226309626 DAAPZBUOSBSXSG-UHFFFAOYSA-N 362.252 4.202 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)c1C 226312028 WQMKONMJARCZAA-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1Cl 408592948 LBKWAIUXNDOROA-UHFFFAOYSA-N 364.225 4.332 0 40 FIAB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)C(C)(C)C)c1 408626955 JRDOGOOFZAJRHX-UHFFFAOYSA-N 369.490 4.106 0 40 FIAB COc1ccc(-c2nnc(SC(=O)Cc3ccc(Cl)cc3)o2)cc1 408692545 OYMNSDOZGBQMHZ-UHFFFAOYSA-N 360.822 4.260 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]21)c1ccccc1 409370620 CBNRHVGMYKICCW-WKDRNLAYSA-N 355.437 4.077 0 40 FIAB Cc1ccc(-c2noc(CN(C)Cc3cccc(OC(C)C)c3)n2)cc1 533768229 VUXAVOPXAVVRLT-UHFFFAOYSA-N 351.450 4.464 0 40 FIAB NC(=O)C[C@@H](Nc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 555223484 VHAXPSDAPKFZNK-QGZVFWFLSA-N 374.469 4.387 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)CCc2ccco2)N1c1ccc(F)cc1 1615155511 IPWWYGRFZFCZJY-PMACEKPBSA-N 370.468 4.400 0 40 FIAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](N(CCF)C(=O)OC(C)(C)C)C1 2362797590 OANJGHAOQGKIEG-KBPBESRZSA-N 360.470 4.029 0 40 FIAB COc1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)cc1 1085763 AUZOKEHUWUGRMR-UHFFFAOYSA-N 372.515 4.175 0 40 FIAB CCC(=O)Oc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1912299 XHCFCBBQSRMWTI-UHFFFAOYSA-N 372.222 4.451 0 40 FIAB COc1cccc([C@H]2C[C@@H](c3cccc4ccccc34)n3nc(N)nc3N2)c1 2403564 LAKRUXUMMKVJSU-UXHICEINSA-N 371.444 4.168 0 40 FIAB CCCCOc1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1OCC 2608836 POEPTMQYIZKBSD-CSKARUKUSA-N 361.467 4.076 0 40 FIAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)OCCO2 2623883 GJEWVPVADXVNLE-UHFFFAOYSA-N 370.257 4.495 0 40 FIAB CCC(CC)NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3293685 XGWZAAARFNOEMO-UHFFFAOYSA-N 364.540 4.295 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1 3334888 WXZXRSDEMDEXMG-UHFFFAOYSA-N 367.426 4.482 0 40 FIAB Cn1c(C(=O)N(Cc2ccccc2)Cc2ccccn2)cc2sccc21 4092983 YGMHCNFTPYTSCV-UHFFFAOYSA-N 361.470 4.477 0 40 FIAB Nn1cc(-c2ccccc2)nc1SCc1cc(Cl)cc2c1OCOC2 4251907 GJXNMPZCRSNSPY-UHFFFAOYSA-N 373.865 4.076 0 40 FIAB O=C(CCCc1ccccc1)NCCSc1ncc(-c2ccccc2)[nH]1 4315604 MWUBSQXFSXFQEE-UHFFFAOYSA-N 365.502 4.308 0 40 FIAB COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3)C[C@H]21 4878450 VFVCTVJLKYXKKY-KNQAVFIVSA-N 357.413 4.333 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 5169697 JFWAMCHHHQEZJO-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB Cc1ccc2oc(C(=O)NC[C@H](c3ccco3)N3CCCC3)c(C)c2c1 5452257 CINDZUWBEGPXCY-QGZVFWFLSA-N 352.434 4.210 0 40 FIAB CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 5645013 KKFLHPZDDSGZCH-KRWDZBQOSA-N 373.478 4.114 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 5891825 QJOYGUKIKDYPKH-UHFFFAOYSA-N 350.245 4.117 0 40 FIAB CC(C)(C)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 6357440 WFQHGQHFDXVPQD-NTCAYCPXSA-N 374.440 4.337 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1n[nH]c2ccccc12 6370810 WYHBTPKHKSGXBF-CQSZACIVSA-N 365.433 4.179 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Br)cc1 6423478 BYQSQNOHXNUOLZ-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 6819841 SYQCHVOPEHUGFF-QGZVFWFLSA-N 361.869 4.341 0 40 FIAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(C(F)(F)F)cc1 6889098 YPLDECSUAHEAPE-UHFFFAOYSA-N 369.364 4.207 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(F)cc2)c2ccccc2)cc1 7307145 HCKMMBOITGUCKL-HXUWFJFHSA-N 355.434 4.202 0 40 FIAB Cc1cc(C(=O)COC(=O)c2cc(C)n(C3CC3)c2C)c(C)n1C1CC1 7575652 RMECHZLPTQLUMS-UHFFFAOYSA-N 354.450 4.233 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)O)cc1Cl 7604152 PCDRYKAUOFLNID-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB CCc1ccc([C@@H](NS(=O)(=O)c2cccs2)c2cccs2)cc1 8057976 LFPLJGZLTUEQNX-QGZVFWFLSA-N 363.529 4.440 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 8217236 QOLHWUBPFVHILR-SFHVURJKSA-N 350.462 4.111 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1C 8558305 RJMLVTYAXQSTBJ-QGZVFWFLSA-N 368.477 4.239 0 40 FIAB Cc1ccc(Nc2nnc(Cc3ccccc3Cl)c(=O)[nH]2)cc1Cl 8558318 ILRNFXBYIYHXDD-UHFFFAOYSA-N 361.232 4.115 0 40 FIAB COc1ccc(CCNC(=O)c2cc(Cl)sc2Cl)cc1OC 8723645 KTFAPLUSZWMSHR-UHFFFAOYSA-N 360.262 4.045 0 40 FIAB O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCCCCC1 8787338 HKONRCWIRRLSKZ-UHFFFAOYSA-N 351.425 4.245 0 40 FIAB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccco3)cc2s1 9668613 BNXYJFGFYGJIGK-VQHVLOKHSA-N 355.419 4.280 0 40 FIAB O=C(NCc1cccs1)c1csc2nc(-c3ccc(F)cc3)cn12 11902159 RKYFEXFTISHERS-UHFFFAOYSA-N 357.435 4.193 0 40 FIAB CC(C)(C)OC(=O)NCc1nnc(SCc2ccccc2Cl)o1 11903994 YJDPDNRMFXFISR-UHFFFAOYSA-N 355.847 4.040 0 40 FIAB CCCCOc1ccc(-c2nonc2NC(=O)c2cccc(OC)c2)cc1 11914159 TVVYBNVTPYQGKQ-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB O=C(CCn1cnc2ccccc21)NC1(c2ccc(F)cc2)CCCC1 12115990 HWBFKKVKEUTXPZ-UHFFFAOYSA-N 351.425 4.151 0 40 FIAB O=C(c1c(F)cccc1F)N1CCC(c2onc3c2CCCCC3)CC1 12120595 UUOMVQXSXLLHFY-UHFFFAOYSA-N 360.404 4.242 0 40 FIAB CCOc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)c(OCC)c1 12144338 FWDLZHHHCPEOCY-UHFFFAOYSA-N 352.434 4.246 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccc(F)cc2s1 12899180 OVDZYGQEKFZYHH-HNNXBMFYSA-N 358.438 4.200 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2C)c1 12907242 SLYADPFKHLKAJA-UHFFFAOYSA-N 352.463 4.253 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1 13684534 OKPLJVYXHJNYGB-UHFFFAOYSA-N 368.477 4.015 0 40 FIAB CC(C)c1nc2oc3c(=O)n(Cc4ccccc4)cnc3c2c2c1CCC2 13692734 HGOODKPOYAHTTR-UHFFFAOYSA-N 359.429 4.198 0 40 FIAB O[C@]1(c2ccc(Cl)cc2Cl)CN2C=CC=CC2=[N+]1Cc1ccccc1 13799122 CBKPVWKMUGYFAL-FQEVSTJZSA-N 372.275 4.149 0 40 FIAB O=S(=O)(NCC1(c2cccs2)CCCC1)c1cccc(Cl)c1 13804412 PUOWEHNNVMWYHD-UHFFFAOYSA-N 355.912 4.192 0 40 FIAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(F)cc1 14637896 TZILGDOGIASWCZ-IBGZPJMESA-N 369.465 4.400 0 40 FIAB C[C@@H]1CCc2c(sc3ncn4nc(-c5cc(F)ccc5F)nc4c23)C1 15107767 FJWBKAWVGRKLMU-SECBINFHSA-N 356.401 4.409 0 40 FIAB Cc1ccc(C(=O)NCCc2c[nH]c3cccc(C4(O)CCCC4)c23)s1 19217096 KVZKMFNLNQTNTG-UHFFFAOYSA-N 368.502 4.272 0 40 FIAB CCN(CC)CCN[C@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl 19366443 PBTMTVRHVNGMHO-CQSZACIVSA-N 353.721 4.038 0 40 FIAB Cc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccccc3)nc21 21801585 VBMCPHRBSLNUBC-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB COc1cccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)n2)c1 22996550 OOGYGKFMECCXNB-UHFFFAOYSA-N 364.245 4.380 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1cccc(Cl)c1 29582504 VLRBYLKSLIPLIP-LLVKDONJSA-N 360.866 4.265 0 40 FIAB Cc1coc2cc3oc(=O)c(CCC(=O)N4CCCCCC4)c(C)c3cc12 30819166 ZMDLXUQTCHNQLE-UHFFFAOYSA-N 367.445 4.491 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@H](O)c2cc(C)ccc2C)cc1OC 36734414 QFYQFRXUOSIZJU-UXHICEINSA-N 355.478 4.191 0 40 FIAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccncc2)cc1 37868554 VONUOVKRMBXJMQ-FNZWTVRRSA-N 374.421 4.091 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)s1 40013457 OQSNTLWRUSBBQD-INIZCTEOSA-N 367.474 4.259 0 40 FIAB O=C(CCOc1cccc(Cl)c1)NCc1ccsc1-n1cccc1 40155313 AURTZRBNUHJSEB-UHFFFAOYSA-N 360.866 4.278 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 47081082 RGMATNNVVISDGO-UHFFFAOYSA-N 356.491 4.208 0 40 FIAB Cc1nn(C)c2c1[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)SCC(O)=N2 49549494 KQZINRRUDXDMPU-MRXNPFEDSA-N 373.869 4.196 0 40 FIAB Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccc(-c2nncn2C)cc1 58146115 DIEFICIKONFVAW-IBGZPJMESA-N 361.449 4.160 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 60142102 OXMZNIHRYTXAMY-MRVPVSSYSA-N 366.767 4.211 0 40 FIAB Fc1c(-c2nn3c(-c4ccccn4)nnc3s2)cccc1C(F)(F)F 61722038 SMXFLDIBJDURCG-UHFFFAOYSA-N 365.315 4.073 0 40 FIAB Cc1cc([C@H](C)NC(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)o1 67726242 RDCMRJUKMLSZKD-MGPUTAFESA-N 356.466 4.113 0 40 FIAB COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1OC(F)F 69161815 GGUFADJQSDVORJ-JTQLQIEISA-N 355.768 4.441 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=S)Nc1ccc2c(c1)OCO2 71761499 LXBGJOMQKZTVHG-UHFFFAOYSA-N 350.827 4.195 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccnc3cc(C(C)(C)C)nn23)C1 72334638 MANQZMCRMAUERU-AWEZNQCLSA-N 358.486 4.141 0 40 FIAB Cc1nccn1CCCN(C)C(=O)CSc1ccc(C(C)(C)C)cc1 84290890 INVALSOPZDUZNX-UHFFFAOYSA-N 359.539 4.130 0 40 FIAB Cc1c(C(=O)Nc2cccc(SC(F)F)c2)cnn1-c1ccncc1 90521210 ICKUTVKUWZVDKY-UHFFFAOYSA-N 360.389 4.143 0 40 FIAB c1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N(CC3CCC3)C4)on2)cc1 95378908 OCVODUUOEAJMLJ-AZUAARDMSA-N 351.494 4.038 0 40 FIAB Cc1nn(C)c2sc(C(=O)Nc3ccc4sc(C(=O)O)cc4c3)cc12 95948912 CKGAECISTUJXIY-UHFFFAOYSA-N 371.443 4.108 0 40 FIAB CO[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(C)s1 96104750 ZSKWJVIVRUWMET-CYBMUJFWSA-N 359.369 4.073 0 40 FIAB Cn1/c(=N\C(=O)Cc2ccc(Cl)c(Cl)c2)sc2ccccc21 104992706 USALQFACEHIMPK-KNTRCKAVSA-N 351.258 4.217 0 40 FIAB OCCCN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCc2ccccc21 114194004 ZFZRTDMJJMHVMR-NRFANRHFSA-N 366.436 4.353 0 40 FIAB Fc1cc(C(F)(F)F)cc(I)c1Br 169795580 IFFFHQYIJNLEIF-UHFFFAOYSA-N 368.893 4.212 0 40 FIAB CCOC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1CCCC2 195601465 BFMMPQGCMRJSND-UHFFFAOYSA-N 364.492 4.129 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(C)c1 218939480 PSTUWCCATLOWRK-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)c(C)c1 219232329 KMMRZCIKHHDWBJ-OAQYLSRUSA-N 364.489 4.307 0 40 FIAB CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 219652044 PGEKARHGBLTZLB-UHFFFAOYSA-N 353.447 4.121 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1cccc(CN2CCCCC2)c1 224703619 XIKDAQUJWBSPIB-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCC1 225707059 YLVVVZQJUPVWPA-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)N[C@@H](C)CC 225748023 OEYOTPAZPZLLTB-LRDDRELGSA-N 373.324 4.425 0 40 FIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225826796 KSNOFKAVVGMEDZ-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1ccc(F)cc1 225878993 NABLTGJCHHUKLI-UHFFFAOYSA-N 373.815 4.120 0 40 FIAB Cc1cccc(Nc2cc([C@@H]3CCCN3C(=O)c3cccc(C)n3)ccn2)n1 257284902 PEUFEJVHUCIBFV-IBGZPJMESA-N 373.460 4.209 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1 408997373 GGTDLXLEBLOENB-KRWDZBQOSA-N 358.825 4.250 0 40 FIAB C[C@H](NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccsc1 669860404 FWVXKYVVRJJZHP-JTQLQIEISA-N 358.444 4.091 0 40 FIAB COC(=O)N(C)Cc1ccc(NC(=O)Nc2snc3ccccc23)cc1 1310735171 HONFKJFBPBHYRY-UHFFFAOYSA-N 370.434 4.139 0 40 FIAB COc1ccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)cc1 846000 GWAZPQUJYSACCE-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB O=C1CS[C@@H](c2ccccc2)C(=O)N1Cc1ccc(Cl)cc1Cl 1402892 NRZBRLLGBHOTSK-INIZCTEOSA-N 366.269 4.337 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCCc1c[nH]c2ccc(Cl)cc12 2194786 FGWIDMNVRDGNQG-UHFFFAOYSA-N 363.244 4.212 0 40 FIAB COc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 3287985 BQZXBDMZJFAFRA-UHFFFAOYSA-N 361.441 4.230 0 40 FIAB Cc1c(CCC(=O)NC(C)C)c(=O)oc2cc3oc4c(c3cc12)CCCC4 4089849 LGCMFUMJHPHIFI-UHFFFAOYSA-N 367.445 4.184 0 40 FIAB biogenic Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)C2CC2)cc1 4816469 RJWWCZDCDGLHLM-VQTJNVASSA-N 358.445 4.064 0 40 FIAB CC(C)(C)c1nc(NCc2ccccc2)c2nnn(Cc3ccccc3)c2n1 4966602 GYYCKSXVKSNFJR-UHFFFAOYSA-N 372.476 4.179 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)CSc2nc3ccccc3s2)c1 5034677 VECWAIWXRYQYLW-UHFFFAOYSA-N 372.471 4.122 0 40 FIAB Cc1nc(SCc2cc(=O)n3c(C)csc3n2)n(C2CCCC2)c1C 5090336 NJDJWJXPFLSCHH-UHFFFAOYSA-N 374.535 4.285 0 40 FIAB CC(=O)[C@H]1SC2=NC3=C(CCCC3)[C@@H](c3ccccc3Cl)N2C1=O 5379074 POOBBQUXKPPMQE-HZPDHXFCSA-N 360.866 4.112 0 40 FIAB COc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 5503182 SDSKUNAIXSLGMO-QNGOZBTKSA-N 369.424 4.500 0 40 FIAB COc1ccc(CCNC(=O)COc2ccccc2-c2ccccc2)cc1 5673888 ATSHVHGTBIYDCY-UHFFFAOYSA-N 361.441 4.100 0 40 FIAB Cc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1C 6421447 PRWPMWDLIYNOSV-UHFFFAOYSA-N 367.474 4.002 0 40 FIAB Cc1ccccc1NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 6549863 GLQQIUZLWCHSBI-UHFFFAOYSA-N 364.474 4.184 0 40 FIAB CCOCCCn1c(C)c(C(=O)OCC)c2cc(O)c3ccccc3c21 6570133 MQZCJIZHUOVMLT-UHFFFAOYSA-N 355.434 4.412 0 40 FIAB CCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(C)cc32)cc1 6600845 XDTKASFJWZZYFI-UHFFFAOYSA-N 356.429 4.223 0 40 FIAB COCCn1c(SC)nc2scc(-c3ccccc3Cl)c2c1=O 6654402 HTZXVWSOHSEUBK-UHFFFAOYSA-N 366.895 4.147 0 40 FIAB Fc1ccccc1OCCSc1nnc(NCc2ccccc2)s1 6788656 GKZVCBXWGZTNPL-UHFFFAOYSA-N 361.467 4.460 0 40 FIAB Cc1cc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)on1 7226363 IWYOSZPRNOCKLQ-FQEVSTJZSA-N 360.369 4.245 0 40 FIAB COC(=O)c1cn(C(=O)CCSCc2ccccc2)c2ccccc12 7685810 XYQPIFLACFVIFQ-UHFFFAOYSA-N 353.443 4.392 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CN(C)Cc1nc2ccccc2s1 7688822 ZPWJTPCVZDGVTN-UHFFFAOYSA-N 359.882 4.329 0 40 FIAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(F)cc1 8130426 GQHUPWGMFQVKPJ-UHFFFAOYSA-N 351.443 4.323 0 40 FIAB O=C(O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 8849474 AJRWQCPGFHQVBX-UHFFFAOYSA-N 358.353 4.445 0 40 FIAB CSc1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063530 KAZNKSKHJPYZMK-UHFFFAOYSA-N 358.482 4.398 0 40 FIAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccc(F)cc1 9690644 BIVAXTMCVGWYSP-BUXKBTBVSA-N 357.406 4.059 0 40 FIAB O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1 10218174 OZYCQZYGMCTSQS-UHFFFAOYSA-N 363.826 4.494 0 40 FIAB O=C(Nc1ccccc1C(=O)OCc1ccccn1)c1ccc(Cl)cc1 10273119 WPPNLCKTEAGFBX-UHFFFAOYSA-N 366.804 4.344 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(F)cc1 10656550 YCUPEIHRDVGNJS-SFHVURJKSA-N 365.433 4.293 0 40 FIAB O=C(Nc1cccc2ccccc12)N1CCC[C@H](c2nnc3ccccn23)C1 11009035 VRLQVYZODVYABK-KRWDZBQOSA-N 371.444 4.294 0 40 FIAB CSc1ccc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)cc1 12119079 ZVTKEBXJTREFMV-MRXNPFEDSA-N 354.475 4.154 0 40 FIAB O[C@@]1(c2ccc(F)cc2)CCCN(Cc2c[nH]nc2-c2cccs2)CC1 12143578 QOSQEVMEQRHQLW-FQEVSTJZSA-N 371.481 4.151 0 40 FIAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)c1 12221417 HJVLJPZMNSWWMW-LJQANCHMSA-N 367.424 4.007 0 40 FIAB O=C(N1CCCCC1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12337847 DLIRJRUYACMGCP-UHFFFAOYSA-N 364.489 4.100 0 40 FIAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 12551550 SVILGOMSNMGZIO-QGZVFWFLSA-N 366.509 4.182 0 40 FIAB COc1ccccc1CCC(=O)Nc1cc2c(cc1Cl)OCCCO2 12787313 XTVZZNNIXNTBSD-UHFFFAOYSA-N 361.825 4.081 0 40 FIAB COc1ccccc1C(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 12792090 ZBUKONFIHCIVGM-GFCCVEGCSA-N 360.866 4.487 0 40 FIAB CCOc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 12796511 JSBXCZNODQFVPJ-SDNWHVSQSA-N 352.821 4.393 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N1CCCC1 13995931 GZZIRSWQLDEOHC-LJQANCHMSA-N 366.461 4.027 0 40 FIAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@H]1c1cccs1)O[C@@H](C)C2 14139026 ZMPBTSMQSCXUJF-KDCQFRKDSA-N 369.486 4.457 0 40 FIAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1c[nH]c2ccccc12 14244121 WDMPCAXFIWZFJB-FQEVSTJZSA-N 362.429 4.079 0 40 FIAB O=C(CCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1-n1cncn1 14702090 PZIYSLNBNJHLFG-UHFFFAOYSA-N 361.232 4.145 0 40 FIAB CC(=O)Nc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1 15838548 HMOWNSVMTNSEIT-UHFFFAOYSA-N 354.793 4.227 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 16014235 GYJBOOHGUFMGCD-UHFFFAOYSA-N 372.852 4.227 0 40 FIAB COc1ccc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 16227457 LLIQQNZIFIFCMA-UHFFFAOYSA-N 355.221 4.332 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCCC(=O)c3ccccc3)nnc12 19460823 LJKNYENVADTVCG-VBKZILBWSA-N 353.491 4.412 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccccc3F)o2)cc1 19597706 ROEAAWPIIIEMFF-UHFFFAOYSA-N 366.392 4.105 0 40 FIAB CC(C)C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694408 SSHOYCIPZWSBLQ-SFHVURJKSA-N 370.472 4.058 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(N2CCCC2=O)cc1 20047313 KBHALQXKZBTCIB-IBGZPJMESA-N 366.461 4.226 0 40 FIAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)C(F)(F)F 20611377 WUHMWXHZPYHCNY-UHFFFAOYSA-N 371.702 4.053 0 40 FIAB CCCOc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 21148661 JTVZKXSXDRTEKB-FQEVSTJZSA-N 358.526 4.346 0 40 FIAB Cc1ccnn1-c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 23793044 OEFRLPGWMFJFDO-UHFFFAOYSA-N 360.461 4.423 0 40 FIAB C[C@@H](NCCc1ccco1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 25055296 OODAKDZTFFMKOU-LLVKDONJSA-N 371.487 4.199 0 40 FIAB CC(C)c1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2C)n1 27770862 DICCGOCKQVBAJC-JTQLQIEISA-N 363.874 4.495 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1ccc(Cn2cc(Cl)cn2)o1 27982305 VNOFPOWBCKEVTE-UHFFFAOYSA-N 358.810 4.040 0 40 FIAB Cc1cc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)n(C2CCCC2)n1 28244316 ZCUPQTJBWCLHBP-UHFFFAOYSA-N 368.437 4.348 0 40 FIAB COC(=O)c1cccc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)c1 30893901 PALBZKLXWNWKRA-UHFFFAOYSA-N 374.318 4.293 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30938341 OMUZMDCJOALRNY-CQSZACIVSA-N 364.823 4.469 0 40 FIAB Cc1cc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)nn1C 32642722 JWJJWSQCQVPUOV-UHFFFAOYSA-N 361.401 4.306 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(C)c1 32817310 QJGHOTYWWLLIRR-UHFFFAOYSA-N 357.475 4.272 0 40 FIAB CCN(C(C)=O)c1nc(CN(C)[C@@H](C)c2cc3ccccc3o2)cs1 32928708 CJLLSFBMHXXBKK-ZDUSSCGKSA-N 357.479 4.455 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 32935114 XERXBMCCKGXPLQ-HXUWFJFHSA-N 354.425 4.445 0 40 FIAB COc1ccccc1CN(Cc1cccnc1)C1CC(C)(C)NC(C)(C)C1 36740482 LTGDLVDZKSOECD-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB CCCN(Cc1ccccc1)C(=O)Nc1cc(NC(C)=O)ccc1OC 40103997 QFNZKSPSENBBQF-UHFFFAOYSA-N 355.438 4.098 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCc2ccccc21 44902169 AJPPOIXNTLCYRV-OAQYLSRUSA-N 366.505 4.030 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)CCc1ccc(OC)cc1)c1nc2ccccc2[nH]1 47173790 ZIWSFIUMJYSKCE-VFNWGFHPSA-N 365.477 4.408 0 40 FIAB O=C(O)/C(=C/c1ccc(Br)o1)Sc1nc2ccccc2[nH]1 50547822 QJWWJGPQYKNXQU-XFFZJAGNSA-N 365.208 4.136 0 40 FIAB O=C(CNCc1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1 58161143 AQKSAAFGTPHTGI-UHFFFAOYSA-N 364.876 4.335 0 40 FIAB Cc1ccoc1C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 58305723 JFMRHLJLVHTTAT-UHFFFAOYSA-N 366.383 4.001 0 40 FIAB CCCOc1ccccc1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809413 AJQCGHDTPIIMTK-UHFFFAOYSA-N 355.419 4.039 0 40 FIAB Cc1nc2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc2o1 69710057 OAPCJZSSAWWJPX-UHFFFAOYSA-N 350.296 4.173 0 40 FIAB O=C(/C=C/c1ccnc2ccccc12)Nc1ccc(Oc2ncccn2)cc1 72287260 VNEAWKYURNWSAZ-IZZDOVSWSA-N 368.396 4.469 0 40 FIAB COc1cccc(C(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)c1F 90466770 SCEVAJKQCWYQLY-UHFFFAOYSA-N 359.788 4.234 0 40 FIAB COc1ccc2oc(C)c(C(=O)Nc3ccccc3O[C@H]3CCOC3)c2c1 95965913 HWLOVSAIVQHZOR-HNNXBMFYSA-N 367.401 4.170 0 40 FIAB CN(Cc1ccccc1)[C@@H]1COC2(CCN(Cc3ccsc3)CC2)C1 96220953 KRGVMSGYKWBINW-FQEVSTJZSA-N 356.535 4.004 0 40 FIAB CSc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1 96222105 NJPLICOGSDIIJW-OAHLLOKOSA-N 352.411 4.264 0 40 FIAB biogenic O=C(NC1CCCCCCC1)c1cc(=O)c(OCc2ccccc2F)co1 96232601 HRPWZEWGAAVQCU-UHFFFAOYSA-N 373.424 4.201 0 40 FIAB COc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1OC 96319555 KGSNQIWCDKJWKX-UHFFFAOYSA-N 358.397 4.478 0 40 FIAB COc1cc(C)c(CNc2ccccc2-n2nc(C)cc2C)cc1OC 97022377 YMHJBSNVPVXWCA-UHFFFAOYSA-N 351.450 4.427 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccc(O)cc2)C[C@@H](c2ccccc2)C1 102590559 BSMRXSHVHZSAAD-QRWLVFNGSA-N 358.401 4.049 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2)c1 107217114 LCOGRHWGRSYARO-UHFFFAOYSA-N 374.531 4.083 0 40 FIAB O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1cccs1)CC2 109753938 UYCQHFXFAWPNCW-UHFFFAOYSA-N 352.503 4.039 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1C1CCCC1 222735032 WPEQRLXQNGFART-RBUKOAKNSA-N 354.523 4.217 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223926634 GKPGALWVCUXWAW-HNNXBMFYSA-N 371.437 4.449 0 40 FIAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(Cl)cc1 224454272 WTYGJRVVEJTVDD-IRXDYDNUSA-N 354.866 4.240 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c1 224846633 XFQSQORUXYZZNZ-HNNXBMFYSA-N 367.445 4.148 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)ccc21 225111615 MMKGQWTULCFQTE-CQSZACIVSA-N 370.474 4.106 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225206800 AWUYEFMWZILCOD-INIZCTEOSA-N 353.447 4.310 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 225326821 GYJBSQLRYZHEQS-GFCCVEGCSA-N 351.497 4.001 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)N[C@H](C)CC 225344738 HDBSUGZLFQXCON-VXGBXAGGSA-N 359.297 4.035 0 40 FIAB CCN(CC)CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225590237 SDYNDZSTSCOQDS-UHFFFAOYSA-N 367.704 4.106 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225693188 XBFHFBZINLYXPF-NRFANRHFSA-N 364.530 4.331 0 40 FIAB NC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 226334438 JWFGCZVEOVFOGT-XBXARRHUSA-N 366.642 4.180 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)cc1 226351319 WYUMQELEUNDFEW-UHFFFAOYSA-N 360.435 4.038 0 40 FIAB Clc1ccccc1Cc1cnc([C@@H]2CCCN(c3ccncn3)C2)o1 257206034 BBOGSFHCWFEVDK-OAHLLOKOSA-N 354.841 4.093 0 40 FIAB Cc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)s1 306125729 DAASYGHBYCLAKL-LJQANCHMSA-N 371.531 4.156 0 40 FIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(Cl)ccc1Cl 408714861 XVLMXTYOEJYAHB-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB CCCCCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(C(F)(F)F)C1 408734061 GVUKHATXKKDFFF-HNNXBMFYSA-N 362.779 4.373 0 40 FIAB Cc1ccc2c(C)cc(N3CCC[C@@H](CNC(=O)c4ccco4)C3)nc2c1 509486349 LRDKQWFLUBQQID-KRWDZBQOSA-N 363.461 4.091 0 40 FIAB Cn1ncc(C2CC2)c1C(=O)Nc1nc2c(C(F)(F)F)cccc2s1 585114284 YCNCNYNVHXOTPO-UHFFFAOYSA-N 366.368 4.178 0 40 FIAB COCc1cc(Cl)ccc1NC(=O)N1CC(C)(C)[C@H]1c1ccncc1 645020371 GHXYQJQWBWJHNW-QGZVFWFLSA-N 359.857 4.496 0 40 FIAB CCn1cc([C@@H]2OCC[C@H]2CN2CC3(CCC3)[C@H]2c2ccccc2)cn1 668192322 ZWKGJHOATIXQRL-CEWLAPEOSA-N 351.494 4.208 0 40 FIAB CC(C)(C)OC(=O)NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1 715313 DCGQZOVEUHQZLA-UHFFFAOYSA-N 354.617 4.007 0 40 FIAB COc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O 1400097 JNZSTSVZISGDIO-UHFFFAOYSA-N 352.139 4.231 0 40 FIAB O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1c(F)cccc1Cl 1416484 PVUJYTQRZQCJMH-OVCLIPMQSA-N 363.797 4.421 0 40 FIAB COc1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)cc1OC 2335884 BJRLQMGUOPUUMT-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB CCOc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 2416214 RXPQKBYUYHFMQE-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)n(Cc2ccccc2)c1=O)c1ccccc1 3273175 QQBCOWJWQSOLOO-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@@H](C)c1ccccc1 3895847 UFSPSELVZYPIMF-RZMNMVRNSA-N 358.526 4.221 0 40 FIAB O=C(Cc1ccccc1)Nc1ccccc1N1CCN(c2ccccc2)CC1 4092820 PDIUJNBESGBIDA-UHFFFAOYSA-N 371.484 4.194 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1sccc1C 4626081 LFMSUYZLHIVWQX-MRXNPFEDSA-N 353.447 4.258 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc3c(s2)CCCCC3)[C@@H]1C 4768056 TVEUJATXEMQPRR-FMKPAKJESA-N 363.523 4.115 0 40 FIAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O 4777183 VYLJGYZPUKNHJR-CQSZACIVSA-N 371.868 4.417 0 40 FIAB Cc1cc2cc3c(N)c(C(=O)Nc4nccs4)sc3nc2cc1C 4848773 AIFGEUVFYDMVPD-UHFFFAOYSA-N 354.460 4.357 0 40 FIAB Cc1cccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)c1 5246958 RZCDTWNHPLHRCS-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1c(Cl)ccc2c1NC(=O)[C@]2(O)CC(=O)c1ccc2ccccc2c1 5722457 YUGRSHNMRUJTHB-NRFANRHFSA-N 365.816 4.214 0 40 FIAB COc1ccc(Cc2nnc(SCc3ccc(F)cc3)o2)cc1OC 7605255 UKKCZSXIWZFUQS-UHFFFAOYSA-N 360.410 4.109 0 40 FIAB CC(=O)Nc1cccc(C(=O)OCc2csc(-c3ccsc3)n2)c1 7636564 JDUJWPHVWYQIDM-UHFFFAOYSA-N 358.444 4.187 0 40 FIAB CCCNc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1 7793431 SKIGMXWPGAIMAC-UHFFFAOYSA-N 350.513 4.088 0 40 FIAB CCc1ccc([C@@H](NCC(=O)Nc2ccc(OC)cc2OC)C(C)C)cc1 7872598 AZPFWKVLIDVVAB-QFIPXVFZSA-N 370.493 4.192 0 40 FIAB C[C@H](SC(=S)N(C)C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 7979832 VRQMDQOJUIGSPV-IUCAKERBSA-N 365.351 4.139 0 40 FIAB CN(C)c1ccc([C@H](CNC(=O)c2ccc[nH]2)c2c[nH]c3ccccc23)cc1 9549981 UKCBFVMEHQSTPK-IBGZPJMESA-N 372.472 4.124 0 40 FIAB COC(=O)[C@H](C)Sc1nc(C)nc2scc(-c3cccs3)c12 9806879 CTKQVMHVAVYKRL-QMMMGPOBSA-N 350.490 4.382 0 40 FIAB O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9827826 PHZVBDBSLYVLPP-UHFFFAOYSA-N 360.369 4.062 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccccc2Br)c1C 10442330 WBVWMUFIEJLUNJ-UHFFFAOYSA-N 362.223 4.187 0 40 FIAB CC1(C)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2O1 10544174 BDCXWYUETPUNCP-IBGZPJMESA-N 367.470 4.421 0 40 FIAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2N1 10642373 MOYMDRDBEVTZEN-LLVKDONJSA-N 368.742 4.423 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3C(C)C)n2)cc1 11368590 NBCOZDCLJWWQPZ-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCc1nc2ccccc2[nH]1 12531911 LUYBSALZGRUIEJ-UHFFFAOYSA-N 361.367 4.173 0 40 FIAB CN(Cc1nc(-c2ccsc2)no1)Cc1ccccc1N1CCCCC1 12562696 FDDWMSNISXQIKD-UHFFFAOYSA-N 368.506 4.420 0 40 FIAB O=C(Nc1ccccc1)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 12655344 CTFMEDWZZFRFCX-HKWRFOASSA-N 360.388 4.235 0 40 FIAB COc1ccc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)cc1Cl 12945108 JULYTSVWWVTXCK-UHFFFAOYSA-N 365.886 4.174 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12984419 PGLXOYWWIVWWTB-OAHLLOKOSA-N 364.445 4.101 0 40 FIAB O=C(CCC1CCCC1)N[C@H]1CCCc2nc(-c3cccnc3)ncc21 13266325 VAIWVMFKQAIEKB-SFHVURJKSA-N 350.466 4.003 0 40 FIAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C2SCCS2)cc1 14121689 WGHWAZVZKHEIFN-UHFFFAOYSA-N 373.499 4.166 0 40 FIAB Cc1nc2c(c(N(C)CCc3ccccc3)n1)CN(Cc1ccccc1)CC2 19286145 BBBIXGSFRFVVDP-UHFFFAOYSA-N 372.516 4.022 0 40 FIAB C[C@@H]1CCc2onc(C(=O)Nc3c(F)cc(F)cc3Br)c2C1 20572099 XYKZBHSZVBBPBC-SSDOTTSWSA-N 371.181 4.092 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(O)=N2 20721008 PDXSHZYYRBJBEU-CYBMUJFWSA-N 373.338 4.113 0 40 FIAB C[C@]1(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)CC1(Cl)Cl 22192240 MOERUZZRVAVJIE-OAHLLOKOSA-N 369.273 4.267 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1OC 22517291 UTPRLTAVYMPELB-GFCCVEGCSA-N 365.882 4.327 0 40 FIAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(F)c(F)c1 25214104 RMNQBMAGBPQPRX-SECBINFHSA-N 360.282 4.303 0 40 FIAB Cc1cc(-c2ccccc2)nc(SCCn2c(=O)oc3ccccc32)n1 26112199 BGVDCMUQBPYSGP-UHFFFAOYSA-N 363.442 4.152 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccco2)cc1Cl 26504573 VRHKROGNEXOAJL-WJDWOHSUSA-N 370.792 4.244 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccc(-c2ccccc2Cl)o1 29198068 HOJUXEPVQIZWDF-UHFFFAOYSA-N 364.792 4.433 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1 32817317 FBQSVXPLIBDFLK-UHFFFAOYSA-N 357.475 4.272 0 40 FIAB COc1ccc(OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 32981818 FBIWHLIPAWHQDH-UHFFFAOYSA-N 368.458 4.453 0 40 FIAB COc1ccc2cc(CN(C)[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)ccc2c1 37471621 VINFBPFYDDDKGD-FGTMMUONSA-N 368.521 4.458 0 40 FIAB Cc1ccc(OCCN(C)C(=O)Nc2cccc(OC(F)F)c2)cc1 40120517 AXSNLQOOENWRIJ-UHFFFAOYSA-N 350.365 4.139 0 40 FIAB CCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1 40128525 NBGSDBLCPJPNBN-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1Br 41096771 ZNVDRUSVANXLOX-ZDUSSCGKSA-N 360.317 4.019 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1ccccc1)C(C)C 43668707 STRAQFLMJLBWCP-IBGZPJMESA-N 355.438 4.172 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(=O)OC)c1C 44850113 QXBADIXJIRZLDQ-LJQANCHMSA-N 355.434 4.195 0 40 FIAB CC(C)(C)n1nnnc1CN(Cc1ccccc1)Cc1ccccc1Cl 57614030 OTQKAEUMIHJOBL-UHFFFAOYSA-N 369.900 4.284 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2ccc3nc(C)c(C)nc3c2)cc1C 58418446 MMJZWNXKYMZLED-UHFFFAOYSA-N 369.446 4.046 0 40 FIAB Cc1cccc(-c2c[nH]c3c(SCC(=O)N4CCCCC4)ncnc23)c1 71328140 MCOSRVKKNUZYCW-UHFFFAOYSA-N 366.490 4.038 0 40 FIAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cccc(OC(F)F)c2)C1 72405713 XOVKIWFZAYIPBY-AWEZNQCLSA-N 359.332 4.249 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1 73955670 ZURKRMZJJJAIDL-GOSISDBHSA-N 369.530 4.340 0 40 FIAB CO[C@H](c1ccccc1F)[C@H](C)NCc1cn(-c2ccccc2)nc1C 95989234 MNEPFHQATVXXPN-KKSFZXQISA-N 353.441 4.186 0 40 FIAB CC(C)c1noc([C@@H](C)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)n1 106528965 RLWHJDHPDBNLIT-HZSPNIEDSA-N 362.449 4.119 0 40 FIAB C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)C1 169682686 QGMGHNISPWBOCG-OFQRWUPVSA-N 353.441 4.011 0 40 FIAB Cc1cc(OCC(=O)NCCCc2ccccc2Cl)ccc1Cl 218938364 ZPSCWYMFMFOHCK-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SC(C)C)s1 222617045 OAIMDNLXLPLXDU-GFCCVEGCSA-N 371.915 4.488 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 222999064 NIKMMOFMNPCNMJ-GHTZIAJQSA-N 355.478 4.353 0 40 FIAB COc1ccccc1OCC(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223266114 PDLSRNKUQIJHST-MRXNPFEDSA-N 371.477 4.392 0 40 FIAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)C)cc2)cc1Cl 223732939 QXRVXEREWGOJBF-UHFFFAOYSA-N 367.898 4.293 0 40 FIAB COc1ccc(NC(=S)NCc2ccccc2Cl)c2cccnc12 225372906 QSWBFRCASWYQCV-UHFFFAOYSA-N 357.866 4.383 0 40 FIAB O=C(N1CC[C@H](c2ccc3c(c2)OCO3)C1)C1(c2cccs2)CCCC1 225676596 QXBPZYVLWXOALL-INIZCTEOSA-N 369.486 4.305 0 40 FIAB O=C(O)c1ccc(-c2ccc(NC(=S)NC(=O)C3CCCCC3)cc2)o1 226351607 FVIDXZFFKXOZCJ-UHFFFAOYSA-N 372.446 4.038 0 40 FIAB Oc1ccc(CN2CCCC[C@H]2c2ccc(Nc3cnccn3)nc2)cc1 257270081 MSROTJNYKIJTRV-IBGZPJMESA-N 361.449 4.048 0 40 FIAB Cc1ccc(N2CCC(c3nc(Cc4ccc(C)s4)no3)CC2)nc1 585084420 YIFLZDMPXFAKJS-UHFFFAOYSA-N 354.479 4.118 0 40 FIAB CC1(C(=O)N2CCc3[nH]nc(-c4cccc(F)c4)c3CC2)CCCCC1 585110365 KNFRTZQWGOXSRQ-UHFFFAOYSA-N 355.457 4.113 0 40 FIAB CCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(Cc2ccccc2)n1 585265474 MVOIVMBHHUVZGA-UHFFFAOYSA-N 363.413 4.445 0 40 FIAB O=C(O)[C@@H](c1ccc(Cl)cc1Cl)N1CCC(OCC2CC2)CC1 652429131 ZZBGCCMCPLMIBD-MRXNPFEDSA-N 358.265 4.010 0 40 FIAB O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCC(NC2CCC2)CC1 1332658907 YPQLBWBGYRSWCM-UHFFFAOYSA-N 373.444 4.437 0 40 FIAB Cc1nc(C)c(CN2CCN(c3nc4c(C)cccc4s3)CC2)s1 1888941902 PDEXCDXBLWLRNU-UHFFFAOYSA-N 358.536 4.000 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(Cl)cc2)cc1 938196 ZYNXSSXJKIIBLW-YGLIYXGISA-N 373.836 4.322 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nnc2c(C)cc3ccccc3n12 1223200 NMUUGAXJOQMUIV-MRXNPFEDSA-N 368.506 4.074 0 40 FIAB O=C(OCc1cccc2ccccc12)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 3412550 XGFZREVCBLLZEV-NRFANRHFSA-N 372.424 4.118 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nnc(-c2cccs2)o1 3548101 NYKLEGAKMRVKFO-UHFFFAOYSA-N 367.386 4.119 0 40 FIAB CC(C)(C)c1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 5084348 OHRFQFMLCWPGCL-UHFFFAOYSA-N 354.837 4.230 0 40 FIAB CCc1cc2c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc2s1 5247964 PBLIFCNKFZXOSQ-RMKNXTFCSA-N 364.518 4.089 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 5442751 KEYAYSIVXUOXBL-UHFFFAOYSA-N 353.384 4.169 0 40 FIAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccco1 6355939 RDNQEAFHWKZMER-VURRPDKYSA-N 374.238 4.148 0 40 FIAB O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1CSc1ncn[nH]1 6553542 TUSQLLOBBJCTOO-UHFFFAOYSA-N 368.393 4.235 0 40 FIAB COc1ccc(-n2c(C)cc(/C=N\Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 6961851 RPKFRITXSIIMEU-BKUYFWCQSA-N 364.405 4.457 0 40 FIAB CCCCNc1nnc(SCC(=O)Nc2c(C)cccc2C)s1 7737908 ARODZJJCKRPTNF-UHFFFAOYSA-N 350.513 4.098 0 40 FIAB Clc1cc(CNCCCn2cnc3ccccc32)cc2c1OCCCO2 7985260 HMUKZZXKJSGINT-UHFFFAOYSA-N 371.868 4.031 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)c2c(c1)OCCO2 7986944 JRKMUUOPEFHDNJ-UHFFFAOYSA-N 372.852 4.354 0 40 FIAB CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(C)c1-c1ccc(F)cc1 8080314 IUWZPQROBASFNX-QOCHGBHMSA-N 358.413 4.335 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2O)c1 8189409 XCEJTBTYAFDTNU-UHFFFAOYSA-N 360.413 4.134 0 40 FIAB CC(=O)c1c[nH]c(C(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)c1 8258754 KUPVWMKSMPLKDD-UHFFFAOYSA-N 367.401 4.113 0 40 FIAB CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccccc1 8326291 NCRQKIDEBDZCKR-KRWDZBQOSA-N 363.885 4.178 0 40 FIAB CC[C@@H](CO)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8326382 IUAGYMHVMUIQSI-INIZCTEOSA-N 354.277 4.433 0 40 FIAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccs3)C2=O)c1 8369926 CTXIYOWFZIQGEF-OQLLNIDSSA-N 372.471 4.040 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1cccc(C)c1 8479409 JRUOJJXGVKWJHQ-GOSISDBHSA-N 361.482 4.341 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c2ccccc12 9063993 YVJHBCSLTRXWGU-UHFFFAOYSA-N 362.838 4.088 0 40 FIAB COc1cc(Cl)c(C)cc1NCC(=O)NCc1cccc(Cl)c1 9155679 UARSYWNLJGESBE-UHFFFAOYSA-N 353.249 4.039 0 40 FIAB CC1(C)CC(NC(=O)c2ccccc2Nc2ccccc2)CC(C)(C)N1 10558257 WZHRMQHWUAJSDE-UHFFFAOYSA-N 351.494 4.469 0 40 FIAB CCOc1ccc(C(=O)N(Cc2ccc(F)cc2)c2ccccn2)cc1 11914550 GBPRSDJLIKWVDE-UHFFFAOYSA-N 350.393 4.466 0 40 FIAB CC(C)c1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)n(C)n1 12162231 FNIDLBATDPDDKU-JWWGGVBKSA-N 351.494 4.246 0 40 FIAB CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(c2ccccc2)C1=O 12548850 MVWLTOBVXQLCOW-RGEXLXHISA-N 358.397 4.336 0 40 FIAB CC[C@@H](C)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccccc1 12789437 QCOAOHSWOXVLDO-AUUYWEPGSA-N 357.450 4.481 0 40 FIAB Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 13637318 VGKHFQOILXCPRQ-UHFFFAOYSA-N 370.408 4.149 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 13671924 BAUHJHYBSCJPCK-MRXNPFEDSA-N 355.478 4.467 0 40 FIAB Clc1ncccc1-c1noc(CN2CCC(Cc3ccccc3)CC2)n1 13992521 DIVZFWMGTZYNDF-UHFFFAOYSA-N 368.868 4.240 0 40 FIAB CCn1c(Cc2ccccc2)nnc1Sc1ncnc2ccsc12 14076388 FAUDGCMQVQUBOO-UHFFFAOYSA-N 353.476 4.045 0 40 FIAB COc1ccc(C2=C[C@@H](c3ccccc3)n3nc(SC)nc3N2)cc1 17072731 SHRHZPJGSARHKB-KRWDZBQOSA-N 350.447 4.065 0 40 FIAB O=C(CCCc1nc(-c2ccccc2Cl)no1)NCc1ccccc1 21596712 BKWTXFKBHTYJAO-UHFFFAOYSA-N 355.825 4.029 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1noc(-c2ccc(Cl)cc2)n1 21800620 OJJGZSNJOKRZDN-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB O=C(Nc1ccccc1O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 22319718 NGVJGCMIVWRTOS-UHFFFAOYSA-N 365.408 4.238 0 40 FIAB COC[C@H](C)NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 22624937 AYLGOFFEOVUFKK-AWEZNQCLSA-N 352.459 4.242 0 40 FIAB S=c1n(CN2CCC[C@H]2c2nc3ccccc3s2)nc2ccccn12 24001904 NKMCVSQWVZLAJM-AWEZNQCLSA-N 367.503 4.270 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCC1 24104157 PSJJWDNDJVSEKM-UHFFFAOYSA-N 354.425 4.023 0 40 FIAB CC(C)CC(=O)Nc1ncc(Cc2ccccc2Br)s1 24828301 JOJDGOIAFOZVBE-UHFFFAOYSA-N 353.285 4.481 0 40 FIAB CC(=O)OC[C@@H](O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1 26896801 LWTGIEFUTRCWQS-XZOQPEGZSA-N 369.505 4.028 0 40 FIAB Cc1ccc(-c2noc(CSCC(=O)Nc3ccc(C)c(F)c3)n2)cc1 28908323 SAUJRVFRLAPCNK-UHFFFAOYSA-N 371.437 4.364 0 40 FIAB Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccccc3C)[nH]c2c1 33063611 KFRDVNRTSPQRNL-UHFFFAOYSA-N 352.459 4.017 0 40 FIAB CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104724 RLVVRAFICHNSJZ-BLLLJJGKSA-N 374.485 4.019 0 40 FIAB O=C(CSCc1nc2ccccc2s1)NCC1(c2ccccc2)CC1 40034333 DNNJILPCDZMJGI-UHFFFAOYSA-N 368.527 4.378 0 40 FIAB Cc1nc2cc(NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)ccc2o1 40082830 AQIUCAOROCDECE-UHFFFAOYSA-N 352.781 4.432 0 40 FIAB O=C(NCCSc1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F 40096750 QMXIWHRRRKUFHN-UHFFFAOYSA-N 362.323 4.296 0 40 FIAB CSc1ccc([C@@H](C)NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)cc1 47103277 SFURRXNWQMNEDG-SNVBAGLBSA-N 371.487 4.211 0 40 FIAB CCOc1c(Cl)cc(CNC(=O)Nc2ccc(OC)cc2)cc1OC 47324211 QLNJRTFZWRVHII-UHFFFAOYSA-N 364.829 4.078 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](c1ccco1)N1CCCC1 50041070 HWSLNJAIVQSVHB-MRXNPFEDSA-N 367.276 4.082 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(C)cc2F)cc1 55544882 HUEKTCOJWKDRBM-UHFFFAOYSA-N 356.426 4.002 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CN2CC[C@H](Nc3ccccc3)C2)cc1 58293663 RJOLRCLNBFMETL-FQEVSTJZSA-N 351.494 4.109 0 40 FIAB C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)N1CCCCCC1 58358210 DJFAHOWVILVGGT-GFCCVEGCSA-N 351.903 4.110 0 40 FIAB CCn1c(C)cc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)c1C 65599427 KKKCZYDSCKUIFE-UHFFFAOYSA-N 350.422 4.268 0 40 FIAB CC(C)c1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1 65705218 KNLMAZWAKXPMTL-UHFFFAOYSA-N 358.492 4.408 0 40 FIAB Clc1ccc2c(c1)C1=C(C=Nn3c(nnc3-c3ccccc3)S1)CO2 68734590 SMEVKAYUPGNAKR-UHFFFAOYSA-N 366.833 4.342 0 40 FIAB CN(C)CCCNC(=O)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 71811160 GHZSLDDHSQGVQJ-UHFFFAOYSA-N 366.383 4.179 0 40 FIAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(Cc4ncc[nH]4)C3)c2)c1 72354178 QOTLFCAAJQKELC-OAQYLSRUSA-N 360.505 4.392 0 40 FIAB CCc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72379077 ZUANFGFBVZMUHF-GOSISDBHSA-N 364.468 4.348 0 40 FIAB COc1ccc2[nH]cc(CC(=O)Nc3ccc(N4CCCCC4)cc3)c2c1 89467058 GSWPQFGIUYWVSH-UHFFFAOYSA-N 363.461 4.348 0 40 FIAB Cc1noc(C)c1[C@H](C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 89526205 XDSJOHVRRJCKNH-JTQLQIEISA-N 357.841 4.115 0 40 FIAB Cc1ccccc1OCC(=O)NCc1ccc(C(=O)c2cccs2)s1 90610561 NRJIEMVMBAVQNX-UHFFFAOYSA-N 371.483 4.044 0 40 FIAB COc1ccc(CCC(=O)Nc2cc(-n3ccc4ccccc43)ncn2)cc1 90614288 BSAGKOPAUZNHBL-UHFFFAOYSA-N 372.428 4.000 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C[C@H]1OCCc2ccsc21 95349295 QWBVVCMOHOQWSO-JKSUJKDBSA-N 359.491 4.483 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1nn(C2CCCC2)c2c1CCCC2 96099221 QOWDREJMGNXXGW-UHFFFAOYSA-N 371.912 4.389 0 40 FIAB Cc1ccc(NC(=S)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)cc1 100426894 RVYGSUZJFCTXKO-QZTJIDSGSA-N 373.566 4.240 0 40 FIAB Cc1c(CO)c2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl 216748784 VAHYHKLFOHNOGG-UHFFFAOYSA-N 364.228 4.468 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 222849813 DTXRZLGHTDNQTI-OAHLLOKOSA-N 361.869 4.173 0 40 FIAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222905896 ABQDZQUBGPPSFJ-KRWDZBQOSA-N 374.500 4.350 0 40 FIAB CN(Cc1nc(-c2ccccc2)no1)C(=O)C1(c2ccccc2)CCCC1 222986255 YCOLHKDYSSGIQR-UHFFFAOYSA-N 361.445 4.207 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C(=O)OC)cc1 223008333 LRWLBPGBWOMYAR-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB CN(CCNC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225359441 XJGWMSYEMBWSHS-UHFFFAOYSA-N 351.277 4.179 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(-c3c(C)noc3C)cn2)cn1 257313614 UTIWVOYGMSATSM-LJQANCHMSA-N 362.433 4.034 0 40 FIAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257327759 XCOXDMAYPROJOD-LJQANCHMSA-N 365.408 4.167 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Sc1nnc(COc2ccccc2)o1 408621601 MZVXGQKOQAEZOB-UHFFFAOYSA-N 360.822 4.163 0 40 FIAB Cn1cc(-c2ncc(CN[C@@H]3C[C@@H]4CCC(C)(C)c5cccc3c54)cn2)cn1 527232327 RWLATPJISBOSRC-OXJNMPFZSA-N 373.504 4.267 0 40 FIAB C[C@H](N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)C1CC(F)(F)C1 529552036 WUJJUTCWSRAUDZ-KGLIPLIRSA-N 359.420 4.418 0 40 FIAB COc1cc(C(=O)NCCc2csc(-c3ccccc3)n2)ccc1Cl 535437542 RWAHWTRVDONEDM-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB C[C@@H](NCc1cnc(-c2ccncc2)s1)c1cccc(-n2cccn2)c1 561527571 GMCGSWMMWVPIEO-OAHLLOKOSA-N 361.474 4.242 0 40 FIAB O=C(c1ccc2c(O)ncnc2c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 640130482 FESRZKBROZHZKZ-FBBABVLZSA-N 373.456 4.134 0 40 FIAB COc1cccc(NC(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 653914732 ZPIUXLAAZIVYLK-UHFFFAOYSA-N 362.433 4.050 0 40 FIAB FC(F)(F)Oc1cccc(C2(c3nc(Cc4ccon4)no3)CCC2)c1 655982223 SYZJYMPBQRCHQJ-UHFFFAOYSA-N 365.311 4.017 0 40 FIAB Cc1ccccc1[C@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)s2)[C@@H](C)CO1 683322083 GJIOVGOCBKRZBH-WMLDXEAASA-N 367.474 4.049 0 40 FIAB C[C@H]1CC(C)(C)N(C(=O)c2cn(C)nc2C(F)F)c2ccc(F)cc21 1565504662 RNKGQPALTGEBLK-JTQLQIEISA-N 351.372 4.429 0 40 FIAB C[C@@H]1CCCN(C(=O)CC2(CN3Cc4ccccc4C3=O)CCCCC2)C1 1772501679 YTVNJKRATRRBAK-GOSISDBHSA-N 368.521 4.242 0 40 FIAB O=C(NC[C@]1(O)CCCc2sccc21)Nc1ccccc1C(F)(F)F 1889148973 GQHVULMXURUUIS-MRXNPFEDSA-N 370.396 4.113 0 40 FIAB c1ccc(Cc2cnc(Nc3cccc(C4CCNCC4)n3)s2)cc1 2037836206 SIRXVBBLJCVUGR-UHFFFAOYSA-N 350.491 4.340 0 40 FIAB CC(C)CN1C(=O)C2(CCN(C(C)C)CC2)C[C@H]1Cc1cccc(F)c1 2037846316 WQMAIXHKFJQJTI-HXUWFJFHSA-N 360.517 4.116 0 40 FIAB C[C@@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 1431363 HVZBXYIUJZMHIZ-LLVKDONJSA-N 361.323 4.246 0 40 FIAB O=c1/c(=C/c2ccccc2Oc2ccccc2)sc2nc3ccccc3n12 2239981 CJDOBFVATVKMMY-ZHZULCJRSA-N 370.433 4.249 0 40 FIAB COc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OC(C)=O 2774762 FWHYZCFIABJFMO-GOSISDBHSA-N 361.397 4.248 0 40 FIAB CN(C)CC(C)(C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3336531 YICJJMZZYOOKCQ-UHFFFAOYSA-N 370.337 4.042 0 40 FIAB COc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccccc2)cc1 4059411 IHEVMFWAZNNRHL-HXUWFJFHSA-N 363.486 4.299 0 40 FIAB CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccccc2Cl)NC(=O)N1 4113563 VCNLGNPCAJJPKG-SFHVURJKSA-N 370.836 4.020 0 40 FIAB CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)N1CCCC1)CCCC2 4139630 KGHNLZRJCPAXTR-IBGZPJMESA-N 355.507 4.166 0 40 FIAB Clc1ccccc1CSc1ncnc2c1nnn2Cc1ccccc1 4166363 JXIMFPMKNBUXNO-UHFFFAOYSA-N 367.865 4.215 0 40 FIAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1nc2ccccc2c(=O)[nH]1 4407015 SRWRCPFFTAAVQN-VIFPVBQESA-N 356.838 4.306 0 40 FIAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2ccccc21 4505689 NCUBEATYRZDRHE-UHFFFAOYSA-N 370.836 4.372 0 40 FIAB CCCC(=O)OCCC[C@H](CC[C@@H](C)OC(=O)CCC)OC(=O)CCC 4684117 CBYWYTIHGQZVDT-IAGOWNOFSA-N 372.502 4.334 0 40 FIAB CCOC(=O)[C@@H](Oc1ccc2c(CC)cc(=O)oc2c1C)c1ccccc1 4747398 NHONSOWAAXCTGV-NRFANRHFSA-N 366.413 4.347 0 40 FIAB CCSc1nnc2c(n1)O[C@@H](/C(C)=C\c1ccco1)Nc1ccccc1-2 5393551 XAONLKWQPNDNGW-CPFIRTDXSA-N 366.446 4.478 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(Cl)cc1N 5417028 IMCKYUQJVSZKCA-HACGYAERSA-N 367.873 4.083 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1csc(-c2ccsc2)n1 7116645 NQFFBBISOMZEDJ-UHFFFAOYSA-N 369.471 4.251 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(F)cc2Cl)c1C 7553917 DHKLCRBNAKBEDI-LLVKDONJSA-N 365.788 4.055 0 40 FIAB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccc(O)c3)C[C@H]21 7570800 GLPQSXIHKBSCBM-DENIHFKCSA-N 373.412 4.038 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(Br)cc2Cl)c1 7748376 PLGSPJIBAPCRHZ-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB Cc1ccc2c(CC(=O)Nc3ccccc3C(=O)NC3CC3)coc2c1C 7979532 RLVSNXVVQRCNKZ-UHFFFAOYSA-N 362.429 4.123 0 40 FIAB COc1cccc(Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)c1 7987378 RLPMLZASSCEZPF-UHFFFAOYSA-N 367.474 4.241 0 40 FIAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)C[C@H]2C=CCC2)o1 8324285 PQUSUFIDGLABQY-AWEZNQCLSA-N 365.389 4.100 0 40 FIAB CCn1nnnc1NCc1c(OCc2ccccc2)ccc2ccccc12 8339862 DGQAXMJEHBDWKV-UHFFFAOYSA-N 359.433 4.037 0 40 FIAB S=C(NCc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1Cl 8642602 WYOJXWRPWOWKSX-UHFFFAOYSA-N 351.262 4.356 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3C)n2C)cc1 8705433 WFXLQENIWSENDO-UHFFFAOYSA-N 351.475 4.382 0 40 FIAB C[C@@H](Sc1nc2sccc2c(=O)n1C)C(=O)c1cccc(Cl)c1 8941520 BJDABPUEDQJTSJ-SECBINFHSA-N 364.879 4.012 0 40 FIAB COc1cc(N[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1 9118869 JLIKWWAJQHYIEW-SNVBAGLBSA-N 369.248 4.450 0 40 FIAB COc1cccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)c1OC 9515730 FGPDEGYKLOGHRB-UHFFFAOYSA-N 353.340 4.294 0 40 FIAB COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccno3)nc2c1 10254155 XHBPXUALUWFQSF-UHFFFAOYSA-N 365.414 4.140 0 40 FIAB Cc1ccc(OCc2nnc3sc(-c4ccc(Cl)cc4)nn23)cc1 10311955 WUVKJKFHNAVAKZ-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB Brc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1 11279646 CIKONTYEHWZBLE-UHFFFAOYSA-N 363.265 4.344 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(OC(F)F)cc3)cc2c1 11517536 JSLIVWFXSJVIBC-UHFFFAOYSA-N 356.372 4.383 0 40 FIAB CC(=O)N1c2ccc(NC(=O)c3ccc4c(C)c(C)[nH]c4c3)cc2C[C@H]1C 12204523 UJVRYWXDXIVBGG-GFCCVEGCSA-N 361.445 4.335 0 40 FIAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 12216938 WKEXCCVCQCJWBE-UHFFFAOYSA-N 366.461 4.484 0 40 FIAB c1ccc2c(c1)CCN(Cc1nnc(-c3cc4c(s3)CCCC4)o1)C2 12992645 PJJVAQLCTQADHI-UHFFFAOYSA-N 351.475 4.235 0 40 FIAB O=C(CCn1ccc2cc(Br)ccc21)Nc1cccc(O)c1 13685798 ZUODNNAQXGGAJS-UHFFFAOYSA-N 359.223 4.138 0 40 FIAB O=C1O[C@@H](Nc2nc3ccc(Br)cc3s2)c2ccccc21 13999649 WQNQPEYWTLAAGJ-CYBMUJFWSA-N 361.220 4.340 0 40 FIAB Cc1nc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)sc1C 14671297 LJRQMCLBMPDZSK-UHFFFAOYSA-N 361.467 4.037 0 40 FIAB CCCCNc1nnc(SCc2nc(-c3ccsc3)no2)s1 14672080 HZKUNXLBXXRDHS-UHFFFAOYSA-N 353.498 4.154 0 40 FIAB COc1cccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)c1 14922849 RQEWUPLWEFEYBV-YBEGLDIGSA-N 374.849 4.455 0 40 FIAB COc1ccccc1OCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 15381206 ZWZOUBHHZZKFIS-VQHVLOKHSA-N 366.244 4.210 0 40 FIAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@@H](c3ccco3)C2=O)cc1 15413030 QYVRNWIINSAFAT-NRFANRHFSA-N 360.413 4.018 0 40 FIAB Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(CC4CC4)C[C@H]23)c1 19235242 ZXGJEVTXYZRUSJ-DNVJHFABSA-N 366.549 4.212 0 40 FIAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(OC(C)C)cc1)C2=O 19320555 QMBXSUFKMXQUML-UHFFFAOYSA-N 370.537 4.259 0 40 FIAB biogenic C[C@H]1Cc2cc(C(=O)N3CCC[C@H](COc4ccccc4F)C3)ccc2O1 19497920 ANRKFIWIWGDAPL-HOTGVXAUSA-N 369.436 4.080 0 40 FIAB CCCn1nc(C)c(-c2cncn2C(C)(C)CN2CCC(C)CC2)c1C 19654536 ANDSPSFABHWEQO-UHFFFAOYSA-N 357.546 4.240 0 40 FIAB COc1ccc([C@@H](NC(=O)c2ccc3c(c2)ncn3C2CC2)C2CC2)cc1 19714289 JRGFDRXVBUKPRJ-NRFANRHFSA-N 361.445 4.261 0 40 FIAB COc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)(C)C)n2)cc1 20899975 DVWUKGDUZIZCJS-UHFFFAOYSA-N 351.406 4.397 0 40 FIAB C[C@H](c1cccs1)N(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 24538490 AXFLRIGJKWUJJZ-CYBMUJFWSA-N 364.898 4.131 0 40 FIAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)N(C)CCOc1ccccc1 25318567 IVHUDWSDFYZCJB-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB CCN(Cc1ccc(OCc2ccccc2)cc1)Cn1ncn(C)c1=S 25488371 IHCKAALVXGTPPJ-UHFFFAOYSA-N 368.506 4.010 0 40 FIAB COc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)c1 28289390 OIPCFCOIOGIJFT-FQEVSTJZSA-N 354.494 4.025 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2nnc(-c3ccncc3)s2)c1 28304044 OSPPTEAXCHNYBZ-UHFFFAOYSA-N 362.867 4.228 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 29046242 NTJGJABNHUWMEJ-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 30872781 ULOUDGKZNQVJQY-UHFFFAOYSA-N 360.244 4.418 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)no1 32833348 RUBUSSJPAGLEAB-UHFFFAOYSA-N 363.417 4.042 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCc3cc(C)nn3C)n2)cc1 36618676 KKYVWTHRDSTWMD-UHFFFAOYSA-N 361.371 4.125 0 40 FIAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1Cl 36635782 UOTFHZJURHFINW-LBPRGKRZSA-N 369.635 4.391 0 40 FIAB CC[C@H](NC(=O)CCCNC(=O)c1ccc(F)cc1F)c1ccc(C)cc1 36781727 JABSIMNSPHCZAE-IBGZPJMESA-N 374.431 4.051 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 38755075 LJSMSPYXAHMKBT-IBGZPJMESA-N 371.477 4.265 0 40 FIAB O=C(CCSc1ccccc1)NCC1(c2ccccc2)CCOCC1 38940020 FWLQPPQLORFHGI-UHFFFAOYSA-N 355.503 4.033 0 40 FIAB Cc1cccc(-n2c(SC[C@@H]3CCOC3)nc3ccccc3c2=O)c1C 42128393 IYIGHAPKGSNIOH-MRXNPFEDSA-N 366.486 4.131 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 44883825 BDIKQEJGSNRCLP-OAQYLSRUSA-N 351.471 4.371 0 40 FIAB Cc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44909455 BICYUNVEMNAMQO-OAQYLSRUSA-N 368.496 4.095 0 40 FIAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCO[C@@H]1CCCC[C@H]1C 47190156 YUIOFIXTCLCWFF-CXAGYDPISA-N 360.429 4.114 0 40 FIAB O=C(CSCc1cccnc1)Nc1nc(-c2ccc(F)cc2)cs1 48356421 BFRAUHQJGDCJKG-UHFFFAOYSA-N 359.451 4.216 0 40 FIAB CC(C)(C)c1nc(CNCc2cccc(NC(=O)C3CCC3)c2)cs1 53017965 LNKPVMVNRACJMH-UHFFFAOYSA-N 357.523 4.469 0 40 FIAB O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53356744 ZXIQYWLAYBIYIW-MRXNPFEDSA-N 361.779 4.472 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1cccc2ccccc12 57767918 MMDBZQVTVQCEBD-HNNXBMFYSA-N 367.470 4.124 0 40 FIAB Cc1cc(OC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc(C)c1Cl 59282038 OKGBBXBXTFWLQU-UHFFFAOYSA-N 359.788 4.204 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1 59341626 DSHYUOAOVHIFDL-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB COc1cc(NC(=O)N2CCC[C@@H]2C2CCCC2)ccc1N1CCCC1=O 69902374 GRIQSXLNAOIAHM-QGZVFWFLSA-N 371.481 4.009 0 40 FIAB Cc1cccc(OCc2nnc(C3(c4ccccc4)CCOCC3)o2)c1 72273535 WDZLHZBAWFSUNO-UHFFFAOYSA-N 350.418 4.054 0 40 FIAB COCCn1ccc2c(NC(=O)CCn3ccc4ccccc43)cccc21 72324638 RQMGWSFWRYLUKH-UHFFFAOYSA-N 361.445 4.271 0 40 FIAB biogenic CC(C)n1ccc2c(C(=O)NCCc3nc4ccccc4n3C)cccc21 95475366 LHOORONHARJLNE-UHFFFAOYSA-N 360.461 4.081 0 40 FIAB CC(C)c1ocnc1C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 95956664 LUCGBZHURWIOEQ-CQSZACIVSA-N 355.438 4.065 0 40 FIAB CCc1nc(-c2cc(C(=O)NCc3ccc(C)o3)c3ccccn23)cs1 96154820 PHAIOMAOGTYCOA-UHFFFAOYSA-N 365.458 4.457 0 40 FIAB CN(c1ccccc1)c1ccc2ccc(C(=O)NCCc3ccccn3)cn12 96264123 KFYOLJPTVNMNDC-UHFFFAOYSA-N 370.456 4.075 0 40 FIAB COc1cc(CNC(=O)c2ccc(OC(C)C)cc2)ccc1OC(C)C 218983734 HDLPMNYHTPZWSR-UHFFFAOYSA-N 357.450 4.200 0 40 FIAB CC[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 222632522 FUZYNYJMIFOMIJ-INIZCTEOSA-N 366.870 4.016 0 40 FIAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346705 DEHKXRXDJCVTGO-NRFANRHFSA-N 366.505 4.185 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccc(C)cc2C)c1 223401707 IBDCUDLIHLRGSK-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 223596606 RKSWAUVWBJHNHS-ZDUSSCGKSA-N 365.524 4.309 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224157205 PSXYCNJOJIWEDJ-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1C[C@@H](C)C[C@@H](C)C1 226330481 UMQCAEVTXHHGNO-OKILXGFUSA-N 355.457 4.451 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C)cc4OC)OCC[C@@]31C2 257280464 OKZSHYIINKNIKE-XBKSPILMSA-N 371.521 4.412 0 40 FIAB Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)cc1 306130794 JPRHDBHXYVCDAO-NRFANRHFSA-N 365.502 4.095 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1C 408561014 UYOMNZZJZHMAHT-UHFFFAOYSA-N 354.479 4.042 0 40 FIAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)CC1=O 408708587 QUZREBSGMULMNX-INIZCTEOSA-N 368.864 4.129 0 40 FIAB Cc1ccc(NC(=O)Cn2nc(COc3ccc(C)cc3)oc2=S)cc1 409162285 ZMXJMUNCLHSQCS-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CCCc1nc(-c2noc([C@@H]3CCCN(Cc4cccc(F)c4)C3)n2)co1 515017265 CJXZLLRHHIOAOP-OAHLLOKOSA-N 370.428 4.196 0 40 FIAB CC(C)Oc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)n1 534363793 YLJLGRAZJPGJBK-KRWDZBQOSA-N 365.433 4.377 0 40 FIAB c1cncc(COCC[C@H]2CCOC23CCN(Cc2ccsc2)CC3)c1 585104423 IHXUZETUEOONJE-FQEVSTJZSA-N 372.534 4.121 0 40 FIAB CN(C)CCOc1ccc(-c2cc(F)ccc2OCC2CCOCC2)cc1 649426893 XQHOAVGFZNDWFN-UHFFFAOYSA-N 373.468 4.239 0 40 FIAB CC(C)(c1ccc(NC(=O)N2C[C@H]3CC[C@H]2[C@H](CO)C3)cc1)C(F)(F)F 666890388 OWALNXBFFFWRBI-XEZPLFJOSA-N 370.415 4.151 0 40 FIAB Cc1cnn(C)c1C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 1271221644 PQPJJTCKHACBPF-UHFFFAOYSA-N 366.368 4.123 0 40 FIAB COc1ccccc1NC(=O)CSc1ncnc2sc(C)c(C)c12 888530 PAFHJFUAQCLXKY-UHFFFAOYSA-N 359.476 4.048 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCCC3)OCc1ccccc1 904706 XLEFLPSBTIAIEA-UHFFFAOYSA-N 370.499 4.406 0 40 FIAB Cc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccco1 904753 ORUBCZHUGSWZCU-VBKFSLOCSA-N 352.415 4.059 0 40 FIAB CCc1ccc(OCc2nnc(SCC(=O)c3ccccc3)o2)cc1 908732 OGUKKBFRKVQNHV-UHFFFAOYSA-N 354.431 4.186 0 40 FIAB O=c1sc2c(n1-c1ccccc1)SC[C@H]1COc3ccccc3[C@H]21 944565 ZDUJYIXEKXHKER-MLGOLLRUSA-N 353.468 4.145 0 40 FIAB CC(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1 976174 VEIWGNGUOBRAEX-UHFFFAOYSA-N 365.458 4.249 0 40 FIAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 991210 SNRATQFBTLMJHB-ROUUACIJSA-N 351.402 4.393 0 40 FIAB CCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1256220 KJLPUNGRCNTHBS-UHFFFAOYSA-N 373.444 4.309 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2642506 ZFZUADBADSZITD-IINYFYTJSA-N 368.264 4.010 0 40 FIAB S=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cccc(Cl)c1 3326913 BXVYLZHOTSWAID-MRXNPFEDSA-N 363.914 4.447 0 40 FIAB CCOc1ccc(C(=O)NCCc2csc(-c3ccccc3)n2)cc1 4166982 CEEBONFHTILXRW-UHFFFAOYSA-N 352.459 4.181 0 40 FIAB O=C(NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(Cl)cc1 4882239 NVWVDICKUFFJGW-IHWFROFDSA-N 354.881 4.265 0 40 FIAB Cc1ccc(-c2nnc3c4cnn(-c5ccccc5Cl)c4ncn23)cc1 5203981 KDQSTDMZDADPMX-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB CC(=O)[C@@H]1C[C@@H](CC(=O)NC(=S)Nc2c(C)cc(C)cc2C)C1(C)C 5739631 QVBNSYIGXTYOSR-HOTGVXAUSA-N 360.523 4.066 0 40 FIAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6510027 UCZDNCGMTBNUPD-UHFFFAOYSA-N 370.412 4.195 0 40 FIAB CN(C)C(=O)c1ccc(Nc2ncnc3sc4c(c23)CCCCC4)cc1 6831947 VCAFCRNWNJJVHV-UHFFFAOYSA-N 366.490 4.406 0 40 FIAB CCn1nnc2cc(C(=O)N[C@@H](C)c3ccc(CC(C)C)cc3)ccc21 6847735 UQEHWTMLJCOMMU-HNNXBMFYSA-N 350.466 4.141 0 40 FIAB CC(=O)c1cccc(OCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 7737773 QVMMVWQNPFPGHC-QHCPKHFHSA-N 373.452 4.368 0 40 FIAB CCOc1c(Cl)cc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 7973610 YDJDBCCIFKYZKO-GDNBJRDFSA-N 357.793 4.092 0 40 FIAB O=C(CN(Cc1ccccc1F)C1CC1)Nc1ccccc1C(F)(F)F 9112060 HZTJQYXMKUKZDC-UHFFFAOYSA-N 366.358 4.448 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)C(C)(C)C)cc2c1 9210682 PVWZNOWUDPAUGH-UHFFFAOYSA-N 354.475 4.339 0 40 FIAB COc1cc(C(=O)Nc2ncc(C)s2)cc(Cl)c1OCC(C)C 10556214 KECJBNCPSFLILD-UHFFFAOYSA-N 354.859 4.401 0 40 FIAB CCOc1cc(C(=O)O)cc(Br)c1OCc1ccccc1C 11833718 NAOSRAZMRNJGAC-UHFFFAOYSA-N 365.223 4.433 0 40 FIAB COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1 12328857 OJLBZWLCVGWJLZ-UHFFFAOYSA-N 362.473 4.035 0 40 FIAB Cc1cc(C)n2ncc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)c2n1 12537379 AIYDHNIJKNGXPW-MDZDMXLPSA-N 369.428 4.164 0 40 FIAB CC(C)n1c(SCc2ccccn2)nc2sc3c(c2c1=O)CCC3 12542704 FCWAGBXPORTWMW-UHFFFAOYSA-N 357.504 4.215 0 40 FIAB CC[C@H](Sc1nnc(-c2ccccc2)n1CC)C(=O)Nc1ccccc1 12615980 TZNYCOGGVKEZCG-KRWDZBQOSA-N 366.490 4.474 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)c1 12804548 OQUNCYLGHGTMQT-BLRBJFNZSA-N 355.409 4.220 0 40 FIAB O=S(=O)(c1cccc(Cl)c1Cl)N(Cc1ccc(F)cc1)C1CC1 12922699 UUBDTGFYTPKUKS-UHFFFAOYSA-N 374.264 4.486 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)c1 13167733 UUSAZJVSLMYUDM-UHFFFAOYSA-N 361.825 4.488 0 40 FIAB CCCCOc1ccc(NC(=O)COc2ccccc2)c2cccnc12 15841075 FKMSPUPJTJUDSV-UHFFFAOYSA-N 350.418 4.431 0 40 FIAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 16962375 MVZFQXFCTNAYGJ-QGZVFWFLSA-N 361.363 4.332 0 40 FIAB CN(CCOc1ccccc1Cl)C(=O)NCCc1ccc(Cl)cc1 17112593 VAIXBGQSTSWDNC-UHFFFAOYSA-N 367.276 4.256 0 40 FIAB Cc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 18105899 MLJBOPMJMWOBPU-MYNGYRLFSA-N 365.432 4.392 0 40 FIAB biogenic CCc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)cc1 20137576 GUYKELPHNCYBSM-UHFFFAOYSA-N 351.402 4.262 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20144082 RFAZTKYQPOXEQZ-UHFFFAOYSA-N 365.429 4.382 0 40 FIAB COc1ccc(CN(C)C(=O)CSc2ccc(Cl)cc2)cc1OC 20489513 JUDNHDCGZPSVDI-UHFFFAOYSA-N 365.882 4.108 0 40 FIAB C[C@H](NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1)c1ccccc1 20611991 BUBRFXIBQWYJKL-HNNXBMFYSA-N 370.880 4.070 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)N[C@H](c3cccs3)C(C)C)CC2=O)c1C 21494403 WFGNTDWCZZNSOQ-UZLBHIALSA-N 370.518 4.231 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 22407127 DANPEBWPZWGEJK-XLIONFOSSA-N 364.489 4.405 0 40 FIAB C[C@H](CCc1ccco1)NC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 23199920 XPYMEGAQXHWVLQ-GFCCVEGCSA-N 359.426 4.018 0 40 FIAB COc1ccc(F)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 23697841 PETYIWUBSRRCSP-UHFFFAOYSA-N 367.405 4.463 0 40 FIAB C[C@H](NCCc1ccco1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 25055301 OODAKDZTFFMKOU-NSHDSACASA-N 371.487 4.199 0 40 FIAB C[C@H](NC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1)C1CC1 25595439 HILBSHXKJJDTQC-LBPRGKRZSA-N 355.825 4.314 0 40 FIAB CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCc2ccccc21 29258195 WJZUFSMOQQMTOR-IBGZPJMESA-N 372.509 4.170 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCOc1ccc(F)cc1 29296339 RDBVVNMNQOHXRD-UHFFFAOYSA-N 358.800 4.145 0 40 FIAB Cc1ccc(-c2nc(CN3CCN(Cc4ccccc4F)CC3)cs2)o1 29701187 LVYQCPIVGBHBTE-UHFFFAOYSA-N 371.481 4.168 0 40 FIAB O=C(CSCc1ccc(F)cc1)NCCSCc1ccccc1F 30750993 GZKSLMPRGYQBGQ-UHFFFAOYSA-N 367.486 4.248 0 40 FIAB Cc1ccc(NC(=O)COc2cnc(-c3ccccc3)nc2)cc1Cl 31784867 HYRZROQAEMWLNU-UHFFFAOYSA-N 353.809 4.123 0 40 FIAB CC1CCN(Cc2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CC1 36392996 OJWCZAJTDPUWLQ-UHFFFAOYSA-N 360.461 4.114 0 40 FIAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccc(Cl)c(Cl)c3)C2=O)c1 36635489 RAJZXJGOLZWYFA-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1cccc(Cl)c1 38487044 LYESNWZMMQEJEG-UHFFFAOYSA-N 371.828 4.433 0 40 FIAB O=C(NCCSC1CCCC1)Nc1cccc(NC(=O)c2ccco2)c1 40104430 IKDYBJSUJXEMNV-UHFFFAOYSA-N 373.478 4.329 0 40 FIAB CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccccc1 40150041 NQTVBAPCJFVINA-HXUWFJFHSA-N 351.494 4.281 0 40 FIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(F)c1 49005509 LLSNVTREOSQNRS-UHFFFAOYSA-N 352.413 4.303 0 40 FIAB O=C(Nc1ccn(CCc2ccccn2)n1)c1cc2c(F)cccc2s1 51417183 CVIRJTBFADSRAZ-UHFFFAOYSA-N 366.421 4.127 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1n[nH]nc1Nc1ccc(C)c(C)c1 57510754 KBXNLNLITSXETA-UHFFFAOYSA-N 371.828 4.079 0 40 FIAB COc1ccc(CCCNC(=O)CCc2ccccc2Cl)cc1OC 65086958 XKSRMYCBUPBYLE-UHFFFAOYSA-N 361.869 4.039 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCC2=O 75279617 APIXNPJKJWVWHS-UHFFFAOYSA-N 357.431 4.005 0 40 FIAB Clc1ccc2[nH]c(-c3cccc(I)c3)nc2c1 84436473 JWLOEJOWCVEOHI-UHFFFAOYSA-N 354.578 4.488 0 40 FIAB COc1ccc([C@H](C)NC(=O)Nc2csc(-c3ccccn3)n2)cc1F 95996453 VPMIUJSNHQAHAR-NSHDSACASA-N 372.425 4.236 0 40 FIAB CC(C)(C)NC(=O)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn12 96155245 DZHIFFMHJKBFKM-UHFFFAOYSA-N 358.445 4.320 0 40 FIAB CC(=O)Nc1ccc(-c2nccc3c2[nH]c2ccc(NC(C)=O)cc23)cc1 96319427 MMLFCMZZMLGGDY-UHFFFAOYSA-N 358.401 4.300 0 40 FIAB CCOc1ccccc1C(=O)NCc1ccc([C@H](O)c2ccccc2)s1 207969570 VFLGFIBSTBEEQD-HXUWFJFHSA-N 367.470 4.159 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc1 218972098 JDQCWVAIJUDCNJ-SFHVURJKSA-N 355.478 4.299 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2F)c(C)c1 222707909 JKPWDUKXHNLTEJ-UHFFFAOYSA-N 361.438 4.183 0 40 FIAB COc1cccc(OC)c1CNC(=O)C(c1ccccc1)c1ccccc1 222934700 QKRVJYJWCXYZTA-UHFFFAOYSA-N 361.441 4.152 0 40 FIAB CCC[C@@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 223342129 AYGOOOQFQXITAW-QLENYVDCSA-N 356.491 4.132 0 40 FIAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223630000 AWSKCCSWIXRSLL-HOTGVXAUSA-N 353.462 4.219 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COC(C)C)c2)cc1 224427815 SNPOCNJQUDNZED-UHFFFAOYSA-N 371.433 4.049 0 40 FIAB CCCCOCc1cc(C(=O)NCCc2ccccc2)ccc1OCC 224724645 DESLOGVCNUNVLU-UHFFFAOYSA-N 355.478 4.375 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1C 225305173 UIJDLUAQNYXCNJ-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB O=C(NCCCc1ccc(Cl)cc1)C1(c2ccccc2)CCOCC1 225606306 OKELBUVGSSBDEB-UHFFFAOYSA-N 357.881 4.137 0 40 FIAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2C(=O)c2cccc(F)c2)nc1 257201712 AISPWVGVZRWCCB-LJQANCHMSA-N 365.408 4.470 0 40 FIAB S=c1n(CN2CCCC2)nc(-c2ccccc2)n1Cc1ccccc1 408723747 IOHAMHCPTQSTFY-UHFFFAOYSA-N 350.491 4.183 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1O 409062019 LVMZHQVKRLSPDD-DHDCSXOGSA-N 361.806 4.295 0 40 FIAB Cc1cc(C)nc(N2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)n1 585100126 GFYFIUXRBQWVIY-JOCHJYFZSA-N 370.541 4.025 0 40 FIAB C[C@H](C(=O)NC1(c2cccc(Cl)c2)CCC1)n1ccc(C(F)(F)F)n1 1130088491 VACOAWBLVZXSHT-LLVKDONJSA-N 371.790 4.312 0 40 FIAB Cc1nc2ccccc2n1C1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1 1775974401 QCOUZKLNVXZFHP-UHFFFAOYSA-N 374.366 4.452 0 40 FIAB CC(C)(C)[C@@H]1COC(C2(C3=N[C@H](C(C)(C)C)CO3)Cc3ccccc3C2)=N1 1988179728 GABYPOAAACQAAR-ROUUACIJSA-N 368.521 4.458 0 40 FIAB CC(C)(C)OC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 639097 YPBLZRQLASXNOE-UHFFFAOYSA-N 364.825 4.046 0 40 FIAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc(Br)cc1 834857 UJCFABAWCOYWQJ-AWEZNQCLSA-N 372.184 4.353 0 40 FIAB O=C(N[C@@H](Nc1ccc(Cl)cc1)C(=O)c1ccccc1)c1cccs1 1013825 BVLRTXNEYYYDMA-GOSISDBHSA-N 370.861 4.452 0 40 FIAB COc1ccc(N2C(=S)CO[C@H]2c2ccc(Br)cc2)cc1 1099815 KZNBZDSNQBPTMW-INIZCTEOSA-N 364.264 4.321 0 40 FIAB CCOC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1 1415814 KOPPOKJMXPJYQX-UHFFFAOYSA-N 367.352 4.191 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1cccc(Cl)c1Cl 1961966 WQOFXSQKTKNMRD-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB COc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(C)cc2)S3)cc1 2338045 XIWUCXVWFDNPOY-INIZCTEOSA-N 351.431 4.139 0 40 FIAB CCCCCOC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 2427365 VIKXLDGIZMPQAY-UHFFFAOYSA-N 354.454 4.170 0 40 FIAB CC[C@H](C(=O)Nc1nnc(-c2ccccc2OC)s1)c1ccccc1 2442522 XTFJRCDGNYTODS-AWEZNQCLSA-N 353.447 4.346 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cc(C(C)C)on2)sc2c1CCCC2 2498031 IAYMZLCWIGIKOV-UHFFFAOYSA-N 362.451 4.167 0 40 FIAB Cc1cc(C(=O)COC(=O)c2ccccc2Cl)c(C)n1Cc1ccco1 3507159 BITDXIMUISPHQC-UHFFFAOYSA-N 371.820 4.439 0 40 FIAB CC(C)CNC(=O)c1ccc(Oc2ccc(C(=O)NCC(C)C)cc2)cc1 4591859 FQBOOTVZYOLYDE-UHFFFAOYSA-N 368.477 4.251 0 40 FIAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccccc1 4699386 CCBGYJRFIFEWRA-UHFFFAOYSA-N 358.441 4.448 0 40 FIAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(C)cc2)CC1 4700613 MLEXGHJZTBZLJZ-UHFFFAOYSA-N 350.506 4.256 0 40 FIAB COc1cccc(C(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1 5108255 UPMDTWIBGVLVLP-UHFFFAOYSA-N 370.449 4.239 0 40 FIAB COc1cccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1 5429140 TXRVSTFECPXPJQ-UHFFFAOYSA-N 373.503 4.356 0 40 FIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)NCc1ccc(F)cc1 5466578 JSCNZKBFGRVCPG-UHFFFAOYSA-N 353.393 4.146 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 5712315 UQXFSDRJEJPSMQ-UHFFFAOYSA-N 368.433 4.035 0 40 FIAB COc1cccc(CN(C)CC(=O)Nc2ccccc2Cc2ccccc2)c1 6084121 OJOQIRYMUQASKT-UHFFFAOYSA-N 374.484 4.357 0 40 FIAB O=c1cc2c(nn1Cc1ccc(Cl)cc1Cl)-c1ccccc1CC2 6243031 SZXDMWYXWVPTMI-UHFFFAOYSA-N 357.240 4.364 0 40 FIAB CCOc1ccc(Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)cc1 6388928 URLKALKGVWNHRX-UHFFFAOYSA-N 366.486 4.360 0 40 FIAB CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1ccc(C(C)=O)cc1 7378990 DWDGJDFCQQSSMZ-UHFFFAOYSA-N 365.882 4.468 0 40 FIAB CCN(CC(=O)NCc1cccs1)Cc1ccc(Cl)cc1Cl 7682088 NHZXNZMLCCRLTG-UHFFFAOYSA-N 357.306 4.193 0 40 FIAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cccc(Cl)c1 7927174 LMOIPLUOEIPERM-MRXNPFEDSA-N 364.898 4.021 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 7928396 NGGLCRMPEOPIBC-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB NC(=O)[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 8983166 SXHGMWIGSNOUCW-NSHDSACASA-N 364.751 4.212 0 40 FIAB Cc1cc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)ccc1F 9478592 WGKNRDHYVXRWFV-UHFFFAOYSA-N 351.360 4.014 0 40 FIAB CC(=O)c1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)cc1 9877022 KILJECZGUKVKKC-UHFFFAOYSA-N 367.518 4.025 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1 9952272 FGAUYBNMJOQYAF-INIZCTEOSA-N 357.475 4.231 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 10186267 PBKSCKMTDCTMCA-MRXNPFEDSA-N 365.477 4.123 0 40 FIAB Cc1c(C(=O)NOCc2ccccc2)oc2ccc(Br)cc12 11208592 RCUVXSLWIFAEQL-UHFFFAOYSA-N 360.207 4.365 0 40 FIAB Cc1csc(NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)n1 11332647 MQAYTLXXBCYDAJ-UHFFFAOYSA-N 362.414 4.421 0 40 FIAB Cc1cc(NCCc2ccccn2)n2nc(C)c(-c3ccc(F)cc3)c2n1 12113309 VCJLKXLBZWEHMG-UHFFFAOYSA-N 361.424 4.202 0 40 FIAB C[C@H]1C[C@H]1C(=O)NCCCn1c(-c2ccc(F)cc2)cc2cccnc21 12327492 MJBYAVZRRUSJNO-KBXCAEBGSA-N 351.425 4.005 0 40 FIAB CCc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 12894416 SQGURCWXJQRDEA-UHFFFAOYSA-N 352.463 4.117 0 40 FIAB COc1ccc(CN[C@H](Cc2cccs2)c2nccs2)c(OC)c1 19552534 XDPYASIYLAYJJT-MRXNPFEDSA-N 360.504 4.295 0 40 FIAB CC(C)OCCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 20484211 QAQVPPMCGYYTFE-UHFFFAOYSA-N 373.518 4.403 0 40 FIAB CCOc1cccc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 20487933 HXXZCQQRKHKNSZ-UHFFFAOYSA-N 374.289 4.012 0 40 FIAB O=C(OCc1ccccc1)[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 20854555 ZWBKHONPFCCCCZ-PMACEKPBSA-N 363.457 4.126 0 40 FIAB O=C(NCc1ccccc1CN1CCCCC1)[C@H]1Cc2ccccc2S1 21410818 XMONQDLIUVBEND-OAQYLSRUSA-N 366.530 4.006 0 40 FIAB COCc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)c1 21901071 MSAHTWSIQDVPMG-UHFFFAOYSA-N 366.339 4.063 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 21904411 YWXOKYBSLXXGNO-GOSISDBHSA-N 358.441 4.331 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1coc(Br)c1 24456675 FQHNQAGSZLLDCU-CQSZACIVSA-N 351.244 4.138 0 40 FIAB O=C(CCc1cccnc1)Nc1ncc(Cc2ccc(Cl)cc2)s1 24831118 PUQIADQEDWTNJB-UHFFFAOYSA-N 357.866 4.354 0 40 FIAB CCc1ccc([C@H](Nc2cc(C)nc3ncnn23)c2cccc(F)c2)cc1 25052821 FHYLNBVCWXMYPY-FQEVSTJZSA-N 361.424 4.336 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)cc1 25853895 KJQXBONCJKAAQV-UHFFFAOYSA-N 362.429 4.484 0 40 FIAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1ccccn1 26841146 OHGNGEWKUQBPLJ-OAQYLSRUSA-N 352.397 4.222 0 40 FIAB Cc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1 30652608 ALWZCWKSKGKFDA-FXBPICSBSA-N 360.432 4.215 0 40 FIAB CN(Cc1ccccc1Br)C(=O)c1cc(Cl)c(Cl)[nH]1 30896490 SCKBDVVMLMFAGG-UHFFFAOYSA-N 362.054 4.356 0 40 FIAB O=C(CCN1CCSC1=O)Nc1ccccc1Sc1ccccc1 32882390 RNCCADACZGHDNT-UHFFFAOYSA-N 358.488 4.335 0 40 FIAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1-n1cccn1 32912892 VYJOTTDPSNCZGT-UHFFFAOYSA-N 365.433 4.069 0 40 FIAB O=C(NCc1ccccc1)N[C@@H](COc1ccccc1F)c1ccccc1 32937005 AEOGXLMKVBNXPA-FQEVSTJZSA-N 364.420 4.445 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NCCSc3ccccc3)cc2)CC1 38836586 IETJFGQJGGIVCR-UHFFFAOYSA-N 368.546 4.441 0 40 FIAB COc1cccc(C(=O)O[C@H](C)c2nc3ccccc3n2C(F)F)c1O 40032288 IOYLESOTITWHCM-SNVBAGLBSA-N 362.332 4.064 0 40 FIAB Cc1noc([C@@H](C)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)n1 46087215 AWOJAYXHGJBIRD-OAHLLOKOSA-N 355.482 4.232 0 40 FIAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@H]1c1ccsc1 46911957 BPKGZWNWWKEQHN-AWEZNQCLSA-N 359.476 4.156 0 40 FIAB COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2Cl)cc1F 52710477 AUVDOYHXLWKCSV-NEPJUHHUSA-N 350.821 4.166 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 58106265 ZFZWEPGMPNNNAW-ZBWUASRJSA-N 357.400 4.186 0 40 FIAB FC(F)(F)c1cccc(CSc2nnnn2Cc2cccs2)c1 58289178 MQSSHGKVWJXADX-UHFFFAOYSA-N 356.398 4.094 0 40 FIAB CCCCN1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 65592810 WPVSRIRDKWPDOD-ZDUSSCGKSA-N 373.324 4.141 0 40 FIAB CC(C)Cc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(F)cc3)n2)cc1 67206852 SPTORTSMFRNPJO-UHFFFAOYSA-N 364.420 4.131 0 40 FIAB CN(C)c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 71761642 NJZVOOHJBONLDO-UHFFFAOYSA-N 355.385 4.460 0 40 FIAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)Nc1cccnc1 72404699 IFZCRNIHPSROQG-UHFFFAOYSA-N 357.413 4.254 0 40 FIAB CC(C)CNC(=O)c1ccc(NC(=O)N2CC(C)(C)C2(C)C)cc1Cl 75092135 FDTIFXGOGXUDHA-UHFFFAOYSA-N 365.905 4.378 0 40 FIAB Cc1cccc(CC(=O)NC[C@@](C)(O)c2ccc(-c3ccccc3)cc2)c1 75155383 FUWIFBBJVDIUHP-XMMPIXPASA-N 359.469 4.228 0 40 FIAB O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc2c(c1)OCO2 77105645 GKKNQDJZGKFESH-UHFFFAOYSA-N 366.320 4.296 0 40 FIAB O=[S@](CCSC(=S)N1CCCC1)c1cc(Cl)ccc1Cl 84343881 HRBAUAZUCXUVOC-FQEVSTJZSA-N 368.376 4.215 0 40 FIAB Cc1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)c2c(C)noc2n1 97773205 UBVPMBPUFWNFEX-UHFFFAOYSA-N 359.429 4.040 0 40 FIAB COC[C@@H]1CCCN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 113608270 QAXXNOGKRBVELM-CYBMUJFWSA-N 373.324 4.339 0 40 FIAB CC[Si](CC)(CC)c1c(F)cc(C(=O)O)c(Br)c1F 195975752 FQCRIUFAVWYDNS-UHFFFAOYSA-N 351.263 4.141 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)SCc2ccccc2)c2ccccc12 222570921 MPWWGJCWLUMQOW-CQSZACIVSA-N 353.443 4.390 0 40 FIAB Cc1ccccc1CSCC(=O)Nc1nnc(SC(C)C)s1 223070706 WDBLZCRHGROGEL-UHFFFAOYSA-N 353.538 4.219 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)N[C@H](C)CC 225280934 ZYZNLXWGZVQBNY-VXGBXAGGSA-N 359.297 4.035 0 40 FIAB Cc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1N1CCCC1=O 225281681 RGJSPMZXTSYJHC-HNNXBMFYSA-N 353.491 4.169 0 40 FIAB S=C(NCCCOC1CCCCC1)Nc1ccc(Br)cc1 225616961 GTRZXAPGBQUZGU-UHFFFAOYSA-N 371.344 4.475 0 40 FIAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)N1CCCCC1 225832574 UQSZYOCWZLWBET-UHFFFAOYSA-N 361.445 4.349 0 40 FIAB COc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2C)c1 226288235 BWDDLBUXGACMBQ-UHFFFAOYSA-N 372.424 4.416 0 40 FIAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 408628636 VQOJDBRJYQZCAW-UHFFFAOYSA-N 371.437 4.493 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)c1 408738937 XERRMMJMPHEGFO-SFHVURJKSA-N 372.468 4.270 0 40 FIAB CCOc1cccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1O 409004930 CIPXRCDUWFJVJM-LGMDPLHJSA-N 369.442 4.070 0 40 FIAB CC(C)C[C@@H](C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1)n1cccc1 575443963 DMRLVXFIAOCNTR-IBGZPJMESA-N 374.912 4.239 0 40 FIAB Cc1cccc(C)c1CCNC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 1312238295 XCFHGHSGIGJSHI-SFHVURJKSA-N 362.477 4.092 0 40 FIAB Cc1nc(SCC(=O)OC(C)C)c2c3c(sc2n1)C[C@@H](C)CC3 1326126 HOTIIBZCHYDAOU-JTQLQIEISA-N 350.509 4.168 0 40 FIAB COC(=O)c1c(NC(=O)CCOc2cccc(C)c2)sc2c1CCCC2 2258474 LSKIVJTVEIXEIO-UHFFFAOYSA-N 373.474 4.130 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1 2313755 BUDAZCJGGJIQNZ-UHFFFAOYSA-N 367.430 4.046 0 40 FIAB COc1cccc(N/C=C2/C(=O)N(c3ccccc3)C(=O)c3ccccc32)c1 2334443 JHGKXXXMUDXWLL-RCCKNPSSSA-N 370.408 4.335 0 40 FIAB CCOCCCNc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3 2429241 UQRPFFJHUVTDJB-UHFFFAOYSA-N 367.540 4.103 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccc(F)cc1 2663288 VMKDXMDXOZVZJK-UHFFFAOYSA-N 371.843 4.271 0 40 FIAB COC[C@H](C)NC(=S)Nc1ccc(Cc2nc3ccccc3s2)cc1 3405598 PVUCPSQIFJPTQG-ZDUSSCGKSA-N 371.531 4.208 0 40 FIAB COc1cc(CCC(=O)Nc2cccc(SC)c2)cc(OC)c1OC 3548806 VPJUTSGSBGBLCQ-UHFFFAOYSA-N 361.463 4.006 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(Cl)s1 3551481 VZZHBXYLXQOQPD-UHFFFAOYSA-N 361.806 4.405 0 40 FIAB COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)cc1 4028393 TYAVZDOMPJDABU-LOHSHHQESA-N 369.505 4.099 0 40 FIAB biogenic COc1ccc(OC)c2sc(NC(=O)c3nc4ccccc4s3)nc12 4264318 VAQCJLUTVMWHMP-UHFFFAOYSA-N 371.443 4.176 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCC4)o2)cc1 4470143 LSZRYLKUYCJSFO-UHFFFAOYSA-N 366.442 4.209 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2ccncc2)NC(=O)c2ccccc2)c(C)c1 4854909 JOFAHVTXCSHEPC-QNGOZBTKSA-N 371.440 4.108 0 40 FIAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(F)cc1 5259296 SNLOGMATRDHLTL-UHFFFAOYSA-N 362.408 4.135 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4cccc(O)c4)nn12)C[C@@H](C)CC3 5340173 IXTJHYVQLWXFDX-JTQLQIEISA-N 350.447 4.145 0 40 FIAB Cc1ccc2c(CSc3nnc(C)n3-c3ccccc3)cc(=O)oc2c1 6044658 RAOZULDKQCCDCP-UHFFFAOYSA-N 363.442 4.283 0 40 FIAB Cc1cc(C)n(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1 6271265 DCZGYAMBWFRDMD-UHFFFAOYSA-N 350.205 4.459 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC(C)C)[C@H]1c1cccs1 6875796 UPJIEJCSBKRROX-RBUKOAKNSA-N 370.518 4.209 0 40 FIAB CCCCn1nnnc1NCc1ccc(-c2ccc(OC)c(Cl)c2)o1 7262181 LAXLHPZHXUVPKS-UHFFFAOYSA-N 361.833 4.007 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 7380971 VTMOPWDLBWLKRL-UHFFFAOYSA-N 358.444 4.204 0 40 FIAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Br)s1 7404672 CEAJBGVOOFWMRY-JTQLQIEISA-N 372.309 4.041 0 40 FIAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1cc2c(F)cccc2s1 7502993 SREPICQYLHGQGG-GOSISDBHSA-N 369.417 4.217 0 40 FIAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)cc1F 7922492 DLMOOMPKGSSFIW-CYBMUJFWSA-N 357.454 4.375 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2s1 8156257 XYSDQSGBPAHGLR-UHFFFAOYSA-N 369.471 4.291 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc(C(F)(F)F)cc1 8388145 DVOBTDIMLSVBHH-UHFFFAOYSA-N 373.378 4.438 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)c1 8724417 VIGBRVKQBJFAHS-UHFFFAOYSA-N 368.412 4.060 0 40 FIAB O=c1c2ccc(Cl)cc2nc(SC[C@H]2CCCO2)n1C1CCCC1 9153994 ZCAUYDVMDHGJMN-CQSZACIVSA-N 364.898 4.436 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCC(C(=O)c2ccccc2)CC1 9989533 MJXDIAXSZZILQI-UHFFFAOYSA-N 374.440 4.385 0 40 FIAB Cc1cc(OCC(=O)Nc2nc3c(s2)C[C@H](C)CC3)ccc1Cl 11917333 AJCUVWPMYKYMIL-SNVBAGLBSA-N 350.871 4.247 0 40 FIAB C[C@H]1CN(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)C[C@@H](C)O1 12338555 OJLRJNGOQDIRQI-GASCZTMLSA-N 355.869 4.264 0 40 FIAB Cc1ccc(-c2nc(S[C@H](C)C(N)=O)[nH]c2-c2ccc(C)cc2)cc1 12542613 HGMNWDHUJDPMCF-CQSZACIVSA-N 351.475 4.326 0 40 FIAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CC2CCCC2)c1 12682944 RMQMURXVHJKOOQ-UHFFFAOYSA-N 372.490 4.031 0 40 FIAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)ccc21 12781348 GRASRQNDNVTVJI-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB Cc1cccc(CNC(=O)CSCc2ccc(Br)cc2)c1 13668754 OBMHHWLXHPUAPR-UHFFFAOYSA-N 364.308 4.307 0 40 FIAB O=C(NCCSCc1cccs1)c1ccc(Br)cc1 18109125 PQNCLJJRCCVSRO-UHFFFAOYSA-N 356.310 4.174 0 40 FIAB CCn1cc(-c2cc(C(=O)Nc3nc4cc(Cl)ccc4s3)no2)cn1 19665239 YPGRMJCOLPYLHW-UHFFFAOYSA-N 373.825 4.073 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)COc1ccc(OC)cc1 19934584 MVLFZTSGAGEDKT-JXFKEZNVSA-N 371.477 4.053 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20109086 WVFOZHSGIQHTIP-SFHVURJKSA-N 371.477 4.265 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)cc2)c1 20144093 GMTGDGIKRYWWNN-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB O=C(CSc1nccn1-c1cccc(Cl)c1)c1ccc2c(c1)OCO2 26047772 KEPNTHDXNPRBLT-UHFFFAOYSA-N 372.833 4.229 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCS2)c2cc(C)ccc2C)c(F)c1 26442147 LYOIBICVMXMLJW-UHFFFAOYSA-N 372.465 4.243 0 40 FIAB CCOc1cccc(C(=O)NCCc2csc(-c3ccccc3)n2)c1 27994540 IFJYRGUZDFNOFZ-UHFFFAOYSA-N 352.459 4.181 0 40 FIAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Br)c2)c(C)c1 28048156 RMUIEVNVUIGVRH-ZDUSSCGKSA-N 368.296 4.105 0 40 FIAB C[C@H](Nc1nc2ccccc2s1)C(=O)NCCCSc1ccccc1 29003218 YJEPNGHEEDXYTJ-AWEZNQCLSA-N 371.531 4.395 0 40 FIAB CC[C@H](CNC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1ccccc1 29475883 PBBMMKYRZCGBMX-GCJKJVERSA-N 362.473 4.261 0 40 FIAB Cc1ccc(-c2nc(NC(=O)c3nc(-c4ccco4)sc3C)n[nH]2)cc1 30606520 XTYHHFPMUDUBLK-UHFFFAOYSA-N 365.418 4.057 0 40 FIAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)c3ccc(N(C)C)cc3)c2C)cc1 31563181 YKWNUWIAWVZWLJ-MRXNPFEDSA-N 362.477 4.046 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1C 32623282 DKLMWHVEKDIMRJ-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(Cl)cc1F 32911567 LXSUHBFOCIJCOA-UHFFFAOYSA-N 371.843 4.336 0 40 FIAB O=C(CSc1ccc2c(c1)OCCO2)Nc1cccc2c1CCCC2 32958590 SUMPTBVITSGEHM-UHFFFAOYSA-N 355.459 4.067 0 40 FIAB CCCCC/C=C/C[C@H](O)/C=C\c1cccc(C[C@H](O)CCCCO)n1 34131929 JNBOAUIJLDEICX-OHLDALICSA-N 361.526 4.048 0 40 FIAB in-vitro Cc1ccc(-c2cc(C(F)(F)F)nc(NCCn3nccc3C)n2)cc1 36618668 FWYPJHAPSNLFOM-UHFFFAOYSA-N 361.371 4.088 0 40 FIAB COc1cccc(Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)c1 38486727 SJKSJZBWFZFMMT-UHFFFAOYSA-N 362.454 4.490 0 40 FIAB O=C(NCC1CCN(Cc2ccsc2)CC1)c1ccc(Cl)s1 43971651 NJTSVXQIZMRJLW-UHFFFAOYSA-N 354.928 4.105 0 40 FIAB O=C(CCc1ccccc1)NCc1cccc(NC(=O)C2CCCC2)c1 48355221 LUVLPJVAHMXQJL-UHFFFAOYSA-N 350.462 4.064 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)C1(c2cccc(Cl)c2)CCOCC1 53028498 WRJDRGZATHVGIH-HNNXBMFYSA-N 361.869 4.119 0 40 FIAB CCn1cc(NC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cn1 56500530 OJAUETRWFNGKGF-SFHVURJKSA-N 352.463 4.144 0 40 FIAB O=C(Nc1cccc2cn[nH]c12)c1ccc(CN2CCc3ccccc32)cc1 58202243 MMCNVUGULFJIQI-UHFFFAOYSA-N 368.440 4.378 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 59227413 AWZADOVGFXCGFM-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB FC(F)(F)c1cc(Cl)ccc1-n1nnnc1CSc1ccccn1 59927365 CXJCNMZJIYZLFZ-UHFFFAOYSA-N 371.775 4.022 0 40 FIAB Cc1ccc(F)c(C(=O)OCc2csc(Cc3ccccc3)n2)c1N 64184621 SNBRNVQQIJCCGQ-UHFFFAOYSA-N 356.422 4.121 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NC(c3ccccc3)c3ccccc3)n2c1 71476746 WALFTJFIOBEKML-UHFFFAOYSA-N 355.441 4.471 0 40 FIAB COc1cccc2c1O[C@@H](C)C(=O)N(c1cccc(C(F)(F)F)c1)C2 75165530 JCYWLVVJMUSKMZ-NSHDSACASA-N 351.324 4.028 0 40 FIAB COc1ccccc1CC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 76017502 ZUYHCKRDBTZDPZ-OAHLLOKOSA-N 351.450 4.046 0 40 FIAB C[C@@H](c1c(F)cccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 84647285 DIGUGAAKZCPAHJ-ZDUSSCGKSA-N 357.404 4.006 0 40 FIAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(Cl)c3)C2)cc1OC 95116650 GMGWGQSBOONPCX-KRWDZBQOSA-N 358.825 4.055 0 40 FIAB Cc1ccc(C(=O)Nc2cccc3c2ccn3C(C)C)c(-n2cnnn2)c1C 95477068 NQGWUCSOXHNKOQ-UHFFFAOYSA-N 374.448 4.067 0 40 FIAB CC[C@](CNC(=O)c1ccc(OC(F)(F)F)cc1)(OC)c1ccccc1 96123737 MTWDJKIMLZPXNV-GOSISDBHSA-N 367.367 4.267 0 40 FIAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1cccc(-c2nccs2)c1 96999078 PGDHSMVXNQPCLH-UHFFFAOYSA-N 360.442 4.177 0 40 FIAB COc1cccc2s/c(=N/C(=O)Cc3cccc4ccccc34)n(C)c12 97549932 FPQAHFQCDAQEOI-QURGRASLSA-N 362.454 4.072 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(C)c2)cc1OCC 223219884 DFADDZROSFYFKU-HNNXBMFYSA-N 357.450 4.292 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223694919 ZIDIFRXWJKQBRA-ROUUACIJSA-N 351.490 4.470 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(OC)c(OC)c1 225719788 QDZMBKIIQJJRPN-HNNXBMFYSA-N 366.433 4.420 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccccc1 225817339 VPLIYQGVAAPQKO-SFHVURJKSA-N 359.491 4.004 0 40 FIAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(Br)cc2)c1 226255054 FWFFWBILSKSHMG-UHFFFAOYSA-N 374.282 4.274 0 40 FIAB Cc1ccccc1C(=O)Nc1cc(Br)c2nc(N)sc2c1 226309636 PCQDYCQNQDWOIO-UHFFFAOYSA-N 362.252 4.202 0 40 FIAB COc1ccc(NC(=O)c2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1N 226765557 XMMRYTXIQUNMII-UHFFFAOYSA-N 372.808 4.452 0 40 FIAB CCOC(=O)c1cn2cc(-c3ccccc3Br)sc2n1 228970101 SSKKLEWKEUNHLZ-UHFFFAOYSA-N 351.225 4.002 0 40 FIAB CC[C@H](C(=O)N1CCC(Oc2ccncc2Cl)CC1)c1ccccc1 240067769 SAUOJZRTMJRWQM-KRWDZBQOSA-N 358.869 4.299 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 408624729 VXGUNJLHHLTVES-UHFFFAOYSA-N 371.487 4.138 0 40 FIAB COc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccccn2)cc1 409101164 AGICCWQVHWRWSE-UHFFFAOYSA-N 374.469 4.413 0 40 FIAB C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CCOCC12CCCC2 536889170 HAHLOTCHYHLMEI-SFHVURJKSA-N 352.478 4.077 0 40 FIAB Cn1c(=O)ccc2ccc(NC(=O)N[C@@H]3CC(C)(C)c4ccccc43)cc21 574909986 BPAKIKQDCIHLRR-GOSISDBHSA-N 361.445 4.083 0 40 FIAB CC1(C)CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC(C)(C)C1 659039130 HAIOGWGBXQSKMF-GOSISDBHSA-N 359.514 4.028 0 40 FIAB O=C(Nc1ccc(Br)c2ncccc12)N[C@H]1CCCSC1 667864222 SYNARVKJOQTQCG-JTQLQIEISA-N 366.284 4.014 0 40 FIAB C[C@@H]1C[C@H](NC(=O)N[C@H](c2ccccc2)[C@@H]2CCCc3ccccc32)CO1 1230722305 FGHHLQHNBORZEV-DGEVVOEJSA-N 364.489 4.324 0 40 FIAB Cc1cnccc1OCC1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1889160458 OGGQYIHIHFRVCB-UHFFFAOYSA-N 362.832 4.114 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1C(C)C 1364199 GULFDAHMMZXAHB-UHFFFAOYSA-N 352.891 4.114 0 40 FIAB O=C(N[C@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(F)cc1 1450988 CPCFNNPBLQNXLY-FQEVSTJZSA-N 366.367 4.016 0 40 FIAB CCCCNC(=O)CSc1nc(NC2CCCCC2)c2ccccc2n1 2948718 MRAVVDGGRXUSIX-UHFFFAOYSA-N 372.538 4.383 0 40 FIAB Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1C 3097388 HQFKBCWQGXUXQK-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB O=C(COC(=O)CC1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl 3241136 SDGLUBFOAINKAA-UHFFFAOYSA-N 363.763 4.421 0 40 FIAB C[C@H]1CCc2c(sc(N)c2C(=O)c2ccc(Br)cc2)C1 3434686 WPAFOYNQSRQPDJ-VIFPVBQESA-N 350.281 4.449 0 40 FIAB CCCCOC(=O)c1ccc(OCC(=O)Nc2ccc(CC)cc2)cc1 3457054 LCFIYMXBMDJBQQ-UHFFFAOYSA-N 355.434 4.223 0 40 FIAB CC(C)(C)C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3460425 LXLCQRNNCJDHJI-UHFFFAOYSA-N 362.429 4.311 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(F)cc2)CSC3)cc1 3912425 MRSUVUJRQGZBMX-UHFFFAOYSA-N 367.449 4.248 0 40 FIAB COc1ccc(S(=O)(=O)Oc2ccc3oc4ccccc4c3c2)cc1 4276427 STDBVTOTJWGOFR-UHFFFAOYSA-N 354.383 4.362 0 40 FIAB COc1cccc2c1CC[C@H]1[C@H]2CC[C@]2(OC(C)=O)CC(=O)CC[C@@]12C 4532269 JVKYKDNHRIEHDG-UDDWMFPDSA-N 356.462 4.196 0 40 FIAB COc1cc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc(OC)c1OC 4586147 RGEITXIQXYGENL-UHFFFAOYSA-N 372.446 4.191 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)CCCC3)c(Cl)c1 5474967 PJZHJBIUMNNBDZ-UHFFFAOYSA-N 357.837 4.323 0 40 FIAB COc1ccc(CSc2nnc(S[C@H]3CCCCC3=O)s2)cc1 5871798 OKVJZRQJWAZKLE-AWEZNQCLSA-N 366.533 4.443 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(NC2CCCCC2)s1 6260780 QCNWARXQTLXZBM-TZMCWYRMSA-N 368.572 4.070 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(F)cc(F)c1 7408882 FCWMNWFWJVICIT-UHFFFAOYSA-N 360.341 4.069 0 40 FIAB Cc1ccc([C@@H](NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2)cc1 7686233 RSJVHYBYKKHTSN-VXKWHMMOSA-N 359.425 4.041 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1cc(C)c2cccc(C)c2n1 7768139 MDTDVZHUAHBLMN-OAHLLOKOSA-N 368.506 4.321 0 40 FIAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(O)CCCCO 8242742 FDLIAZXOUAVHRF-BMXMUORJSA-N 358.522 4.445 0 40 FIAB CNCCCNCc1ccccc1OCc1ccc(Cl)cc1Cl 8377260 DCFADKVBNMHFCJ-UHFFFAOYSA-N 353.293 4.272 0 40 FIAB CN(C(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1ccccc1 8735410 JUXKNWHVZXVINY-KRWDZBQOSA-N 351.475 4.096 0 40 FIAB Clc1ccc(COc2cccc3ccc(N4CCOCC4)nc23)cc1 8769704 MSCORTMFUFQGIP-UHFFFAOYSA-N 354.837 4.304 0 40 FIAB Cn1cnnc1Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9028179 MIPADVJIGUUKKH-UHFFFAOYSA-N 368.849 4.128 0 40 FIAB O=C(CCSc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9337931 QGLCPEIVNGZXAH-GOSISDBHSA-N 351.475 4.409 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)c3ccc(=O)[nH]c3)sc2C)cc1 9653297 HCOBCCBPSGAMFU-UHFFFAOYSA-N 353.447 4.012 0 40 FIAB C[C@@H](NC(=O)c1cccc2ncccc12)c1ccccc1Br 10139857 QPQZMUNHEYWNSX-GFCCVEGCSA-N 355.235 4.488 0 40 FIAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1NS(C)(=O)=O 10314988 NXZRFNVKNLXZAR-UHFFFAOYSA-N 360.479 4.051 0 40 FIAB Cc1nc(-c2cccc(NC(=O)CN3CCc4sccc4C3)c2)cs1 10341658 JHRCEFSNVZSLKM-UHFFFAOYSA-N 369.515 4.177 0 40 FIAB Cc1cc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1=O 10747068 BJWGNMQLJVYTDT-AWEZNQCLSA-N 371.868 4.214 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(Cl)cc1F 11425508 ZYPKPUGHPIIDCM-UHFFFAOYSA-N 371.799 4.103 0 40 FIAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1 12111297 CTXDOEUFBGSGPZ-UHFFFAOYSA-N 357.797 4.430 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NC2CC2)cc1 12419293 ALOBTQSHPHUALA-UHFFFAOYSA-N 368.458 4.366 0 40 FIAB Cc1cnc2c(S(=O)(=O)Nc3ccc(Cl)cc3F)cccc2c1 12527667 ISVJAHLARIUUPD-UHFFFAOYSA-N 350.802 4.137 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc4[nH]nnc4c3)n2)c(C)c1 12551815 XBOKYHYNVHCSQW-UHFFFAOYSA-N 363.446 4.259 0 40 FIAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(F)c1 12815557 SINPKRPJNQYDHU-UHFFFAOYSA-N 372.484 4.185 0 40 FIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NCc1ccccc1F 12821147 AHVNJIJHBCFXLB-UHFFFAOYSA-N 373.478 4.305 0 40 FIAB CSc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 12825094 OPBDMFNKKLGSSB-HNNXBMFYSA-N 354.475 4.017 0 40 FIAB c1ccc([C@@H]2CN(Cc3nc(-c4ccco4)no3)Cc3ccccc32)cc1 12901417 XTOCKOMUWIDCKG-IBGZPJMESA-N 357.413 4.477 0 40 FIAB COC(=O)c1ccc(CN2CCC(COCc3ccc(F)cc3)CC2)cc1 13730124 PHEZTZVFWVWYHP-UHFFFAOYSA-N 371.452 4.041 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1OC 15934638 JKWVMOKIHHGBTO-UHFFFAOYSA-N 358.419 4.289 0 40 FIAB Cc1nc(SCC(=O)Nc2nc(-c3cccs3)cs2)oc1C 19849906 GDNSRAYUDGOOHI-UHFFFAOYSA-N 351.478 4.207 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20143793 FHPLIJOHMDWCQN-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB COc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCCO 21849060 HDXOCEYJJWFSBU-UHFFFAOYSA-N 360.866 4.286 0 40 FIAB CCN(CCC(=O)Nc1ccccc1)Cc1ccc(Br)s1 22199512 KTYFXKMAMMAEBD-UHFFFAOYSA-N 367.312 4.361 0 40 FIAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCCCCC1 23983409 NGIXYVWMWVJWNV-AWEZNQCLSA-N 366.502 4.115 0 40 FIAB COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccccc1 23994426 OWGDVSRLOFDANI-UHFFFAOYSA-N 373.499 4.148 0 40 FIAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccccn1 24841129 LQJCMIYKDKGXPZ-UHFFFAOYSA-N 371.484 4.274 0 40 FIAB CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)/C=C/c1ccccc1 28042373 DCFRPDUVEUUDJW-VAWYXSNFSA-N 371.380 4.018 0 40 FIAB O=C(C1CC1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30180951 QZPHSIJJPDSPBC-UHFFFAOYSA-N 360.910 4.123 0 40 FIAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc(Cl)cc1F 32930403 CKLOTSIUOSDERH-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB Cc1cc(C)cc(Nc2c(-c3ccc4c(c3)OCO4)nc3cnccn23)c1 35616324 MREKGGPHBDNZOD-UHFFFAOYSA-N 358.401 4.485 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)NCc1nc2ccccc2s1 36621800 QVZQCTOXYNDCKB-UHFFFAOYSA-N 365.483 4.279 0 40 FIAB O=C(c1cc(Cl)ccc1F)N(Cc1cccs1)C[C@H]1CCCO1 39995599 OEVJTECFKLFEBR-CYBMUJFWSA-N 353.846 4.362 0 40 FIAB O=C(Cc1c(-c2ccc(Cl)cc2)nc2ccccn12)NCc1ccco1 41288329 AUVQHVKKBTUOCH-UHFFFAOYSA-N 365.820 4.107 0 40 FIAB Cc1nc(-c2nn3c(-c4cccc(Cl)c4Cl)nnc3s2)co1 44891819 UQHHBRMMRSPEEN-UHFFFAOYSA-N 352.206 4.123 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1Cn1cccn1 46661506 KGRLVSULECFSJL-UHFFFAOYSA-N 364.430 4.209 0 40 FIAB O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)c(Cl)cc1Cl 47244240 SLEJCQPPTGUWLA-UHFFFAOYSA-N 369.158 4.105 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)cc1OC 49548495 RPMOFCWGTSCOIE-MRXNPFEDSA-N 363.417 4.072 0 40 FIAB O=C(NCc1nc2ccccc2[nH]1)/C(=C/c1ccccc1)c1ccccc1 49592580 FBDXRHLZZBCFBU-XDJHFCHBSA-N 353.425 4.420 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3c[nH]c4ccccc4c3=O)n2)c(C)o1 54139854 HHKHTAYRJVELFK-UHFFFAOYSA-N 365.414 4.114 0 40 FIAB Cn1cc(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1 54311251 FTXXBTJPINCZAO-UHFFFAOYSA-N 359.351 4.036 0 40 FIAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2Cl)N(C)C)cc1 58150820 BTFFEXHSZJUEDP-GOSISDBHSA-N 365.304 4.263 0 40 FIAB Cc1c(C(=O)NCC(=O)NC2CCCCC2)oc2c1ccc1ccccc12 58419160 YAXLVICVALGKCU-UHFFFAOYSA-N 364.445 4.073 0 40 FIAB COc1cccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)c1 59378187 GEZKQFVJBHCZTL-GZTJUZNOSA-N 354.431 4.110 0 40 FIAB CC1(C)C[C@H](NC(=O)c2cn(Cc3ccccc3)c3ccccc23)CCO1 61718475 RYWULVKYLYOCGJ-GOSISDBHSA-N 362.473 4.377 0 40 FIAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Cn2ccnc2)CC1 62017539 BMFVGJPHJYQKRL-UHFFFAOYSA-N 373.456 4.060 0 40 FIAB Cc1cn(CC(=O)Nc2nc(-c3cccn3C)cs2)c2ccccc12 64909060 YDPOLFFUKKJXRI-UHFFFAOYSA-N 350.447 4.050 0 40 FIAB Cc1cc(F)c2c(c1)CCCN2Cc1csc(CC(=O)OC(C)C)n1 65575458 YDDRRMAPYHTLRO-UHFFFAOYSA-N 362.470 4.038 0 40 FIAB CC(C)Cc1nnc2sc(-c3cn[nH]c3-c3ccc(Cl)cc3)nn12 71288168 MZYFLCGCLCKXKR-UHFFFAOYSA-N 358.858 4.095 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Cc1cccc(Br)c1 72064039 XFHLKLYOSPMMIE-UHFFFAOYSA-N 354.631 4.292 0 40 FIAB C1CCc2c(sc3nc(C4CC4)nc(N4CC[C@H](N5CCCC5)C4)c23)C1 72089509 VYAZWWDZZSIXSI-HNNXBMFYSA-N 368.550 4.122 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2c[nH]c(=S)cc2C)cc1 72218359 OHILAWKQLAYGSA-KRWDZBQOSA-N 362.520 4.277 0 40 FIAB c1ccc(Nc2nccc([C@H]3CCCN(CC4CCCCC4)C3)n2)nc1 72377841 KJQGOSXPQPZCCE-SFHVURJKSA-N 351.498 4.375 0 40 FIAB CC(C)C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccccc1 77789849 HUZWIKVTKCSUQP-FQEVSTJZSA-N 361.445 4.077 0 40 FIAB O=C(c1cc(-c2cccnc2)on1)N(Cc1ccco1)c1ccccc1F 89814078 ZIGZGCKVJUDZMQ-UHFFFAOYSA-N 363.348 4.316 0 40 FIAB c1ccc(COc2ccccc2CN2CCCC[C@@H](N3CCCC3)C2)nc1 92785670 DAKXDXFQNQELOC-JOCHJYFZSA-N 365.521 4.111 0 40 FIAB CS(=O)(=O)Cc1nc(CSCc2cccc3ccccc23)cs1 95961409 APJPRRHYLFTVLK-UHFFFAOYSA-N 363.529 4.274 0 40 FIAB Cc1cc(C)nc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 95972414 RVBYIMDJRZEUOU-UHFFFAOYSA-N 351.406 4.135 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(=O)OC)c1 113970274 JCMZWWWSLWCKHR-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@@H](c2ccccc2)CC1 206988021 NVPFOTOGPXMURP-OAHLLOKOSA-N 366.408 4.421 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCCC[C@@H]1CC 216207700 MOBUYNKVVRHSQH-PMACEKPBSA-N 360.542 4.232 0 40 FIAB Cc1cccc(CSCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 222738302 HGUFBTVVTIOTQT-UHFFFAOYSA-N 374.937 4.230 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C)c(C)c1 224472193 ZUDBBCDOZARVJA-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCCC1 224676780 KIMDPAUAFWHJOK-UHFFFAOYSA-N 368.452 4.460 0 40 FIAB CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(Br)cc1 224723879 HKRDADBBUKUYRK-UHFFFAOYSA-N 368.296 4.281 0 40 FIAB CCOc1ccc(C(=O)NCCCN(C)c2ccc(C)cc2)cc1OCC 225067000 OIZAIZUEDYQDSZ-UHFFFAOYSA-N 370.493 4.049 0 40 FIAB CCOc1cccc(CNC(=S)Nc2ccc(Br)cc2)c1 225438497 CVYOITWEVKBKHW-UHFFFAOYSA-N 365.296 4.334 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CCCc3ccccc32)c1 225461067 BWRXOEZAHFQLFP-SFHVURJKSA-N 354.475 4.227 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3C)no2)cc1C 225828166 IVPQYPRALBQYAU-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB Cc1ccc(-c2nnc([C@@H]3CCCN3C(=O)CCc3ccccc3)o2)s1 257269913 MRYJCGCRASLBPQ-INIZCTEOSA-N 367.474 4.403 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(F)c3C)c(=S)o2)cc1 409162082 CNEIAEDYZWYZCZ-UHFFFAOYSA-N 357.410 4.267 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)NCc1nc(C2CCCCC2)cs1 575413971 JMPAAJZHEXLIMR-VAWYXSNFSA-N 362.520 4.281 0 40 FIAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC(C)(C)c1ccncc1 678173089 DXUKWEQIEVSGLO-MRXNPFEDSA-N 354.494 4.240 0 40 FIAB Cn1c([C@@H]2CCCN2C(=O)Cc2cncc3ccccc23)nc2ccccc21 1333680654 YIHYCZQCGQLWHW-NRFANRHFSA-N 370.456 4.028 0 40 FIAB Fc1cccc(-c2nn3c(CSCCc4ccccc4)nnc3s2)c1 1772491225 SMJIRIFGEQXFJH-UHFFFAOYSA-N 370.478 4.468 0 40 FIAB FC(F)(F)c1ccnc(N2CC(n3c(C4CC4)nc4ccccc43)C2)c1 1775972534 JOSKGRQEXHFLPK-UHFFFAOYSA-N 358.367 4.389 0 40 FIAB C[C@H](Nc1nc2nonc2nc1N[C@@H](C)c1ccccc1)c1ccccc1 845950 XXWLNPQINRPUAG-KBPBESRZSA-N 360.421 4.359 0 40 FIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cc(C(=O)O)ccc1C 953648 LDDPYPOFIXHAPX-UHFFFAOYSA-N 364.401 4.470 0 40 FIAB Cc1ccc(C(=O)[C@H](NC(=O)c2cccs2)Nc2ccccc2F)cc1 1153910 OFYAXVRJCFSWRO-IBGZPJMESA-N 368.433 4.247 0 40 FIAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)[C@H](C(C)(C)C)CO2 1392431 OOXXKVVBPSCJHO-SFHVURJKSA-N 363.454 4.137 0 40 FIAB CCSc1nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2s1 1573721 WXHINXKRVQVVLV-UHFFFAOYSA-N 354.456 4.205 0 40 FIAB CCCCN(C)c1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 2277568 WGXYXOVTVXOFFL-UHFFFAOYSA-N 356.495 4.327 0 40 FIAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(Cl)cc3)ccc12 2385689 BUVOJEVXYKYSCW-UHFFFAOYSA-N 372.804 4.269 0 40 FIAB CCOc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2472234 MGNSSRFDNRJRKD-IAGOWNOFSA-N 369.856 4.059 0 40 FIAB CCc1cc2c(SCC(=O)Nc3c(F)cccc3F)ncnc2s1 2638860 MGJDILKTEVADDN-UHFFFAOYSA-N 365.430 4.263 0 40 FIAB CCc1ccc(-n2nnc(C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1 2713330 LLTJCMZJBGFBMY-UHFFFAOYSA-N 358.804 4.183 0 40 FIAB C[C@@H](C(=O)NCCC1=CCCCC1)n1nc(C(F)(F)F)cc1C1CC1 2782181 QPQJGOCWXUCHCS-LBPRGKRZSA-N 355.404 4.347 0 40 FIAB CC(=O)Nc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1C 3049745 ZSRIADBNLXSRRS-UHFFFAOYSA-N 359.429 4.192 0 40 FIAB COc1ccc(C(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 3243399 BRWNXMFXOUPEKB-OAQYLSRUSA-N 371.864 4.459 0 40 FIAB CCCCO[C@@]1(c2ccc(C)cc2)NC(=S)NN=C1c1ccc(C)cc1 3266437 VCBPWDRLNQUGLN-OAQYLSRUSA-N 367.518 4.155 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccccc1 4031736 IREDABQGXHJXJG-UHFFFAOYSA-N 370.405 4.378 0 40 FIAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccccc2C)cc1 4120008 FARNCUSGYHNXFQ-UHFFFAOYSA-N 354.475 4.139 0 40 FIAB CC(C)(CNC(=O)CCC1CCCC1)CNC(=O)CCC1CCCC1 4614008 OMQLODWWQUZPKZ-UHFFFAOYSA-N 350.547 4.186 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1C 4674072 MWGFWBIUYPMZNI-UHFFFAOYSA-N 352.381 4.449 0 40 FIAB COc1cccc(CNc2ncc(-c3cccc(Cl)c3)n2C)c1OC 4678716 VRMZTYVRGBTLBD-UHFFFAOYSA-N 357.841 4.370 0 40 FIAB CCCC[C@H](CC)COC(=O)C[C@@H](O)C(=O)OC[C@@H](CC)CCCC 4759383 ZDVFAKWEMOAQQR-OKZBNKHCSA-N 358.519 4.257 0 40 FIAB COc1cccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2C)c1 4834973 DDAHUJLCUHEJDJ-VZCXRCSSSA-N 372.877 4.465 0 40 FIAB COc1ccc(C2(C(=O)Nc3ccc(C)cc3C)CCOCC2)cc1OC 4998492 KWYKARLPVKCWCI-UHFFFAOYSA-N 369.461 4.008 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc(C)c1C 5145498 NSCHJOSQKXZIHR-UHFFFAOYSA-N 374.281 4.228 0 40 FIAB CC(C)(c1ccccc1)c1ccc(OCC(=O)NCC(F)(F)F)cc1 5404544 OVKZRWHZFUYFSL-UHFFFAOYSA-N 351.368 4.070 0 40 FIAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O[C@@H](C)C(=O)O 5554510 WSRJTPDVTHDDLA-ZDUSSCGKSA-N 352.386 4.264 0 40 FIAB Cc1ccc(C)c(NC(=S)NC(=O)c2cccc(Br)c2)c1 6044282 BELBYIAVTPWFOF-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB CC[C@@H](C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 6602040 RUVSPBBFJHGLBN-MRXNPFEDSA-N 359.491 4.311 0 40 FIAB CN(Cc1cccs1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6787305 QSMQHJUEEFRWGM-UHFFFAOYSA-N 374.469 4.268 0 40 FIAB Cc1ccc(CSc2nnc(NC(=O)COc3ccccc3)s2)cc1 6836822 FDDFSLCKJPJWBK-UHFFFAOYSA-N 371.487 4.156 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 6861007 KXANCXKGXRFUBN-UHFFFAOYSA-N 361.879 4.385 0 40 FIAB C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 6957117 XHPINIXJUULLTL-INIZCTEOSA-N 367.518 4.360 0 40 FIAB CC(C)c1ccccc1NC(=O)CN(C)Cc1nc2ccccc2s1 7688981 BMRXPPCGUBWYHB-UHFFFAOYSA-N 353.491 4.490 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2c(s1)CCCCC2 7736656 PFEIBOGCHLALKV-UHFFFAOYSA-N 370.518 4.345 0 40 FIAB CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)c1 8566238 FDXNYCSMWKFSRT-UHFFFAOYSA-N 351.431 4.010 0 40 FIAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 8816481 BJQUCPOWWNXSKB-KRWDZBQOSA-N 366.461 4.029 0 40 FIAB O=C(Nc1nccs1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 8981007 DIDRKABYELANHB-UHFFFAOYSA-N 372.759 4.253 0 40 FIAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 9063099 HMPXRVKEWKBYEQ-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB CCn1c(SCC(=O)N2CCSc3ccccc32)nc2ccccc21 11421496 HRROYULXPRGADL-UHFFFAOYSA-N 369.515 4.287 0 40 FIAB CCN(CC)CCCNc1ncc(-c2ccccn2)c(-c2cccs2)n1 12222114 QXUAACATMIXTAZ-UHFFFAOYSA-N 367.522 4.411 0 40 FIAB Fc1cccc(-c2nn3c(-c4cccc(F)c4F)nnc3s2)c1F 12389323 PXLMHFBZULFXID-UHFFFAOYSA-N 350.300 4.076 0 40 FIAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)cc1Cl 12932052 KUZCIYSMBTXXDQ-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB COc1cc(/C=C/C(=O)Nc2nccs2)cc(Cl)c1OC(C)C 13039773 LVYPXRRLVCVJRB-SNAWJCMRSA-N 352.843 4.244 0 40 FIAB CSc1nnc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)s1 13569759 DZMUUYCCHNSHQJ-UHFFFAOYSA-N 372.475 4.046 0 40 FIAB C[C@H](Sc1ncnc2sccc12)C(=O)NCc1ccc(Cl)cc1 14138491 GPMDDUGDGXXNIZ-JTQLQIEISA-N 363.895 4.142 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc(F)cc1F 14360989 CFUKNVPLZQHNEY-HNAYVOBHSA-N 357.404 4.113 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)cc1C 15329049 WWZNAZORJTYDOU-IBGZPJMESA-N 357.500 4.433 0 40 FIAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccco2)nc1-c1ccccc1 15613940 DIMBQTMSAPPZJE-ZHACJKMWSA-N 368.414 4.232 0 40 FIAB O=C(OCc1cc(-c2ccc3c(c2)OCO3)on1)c1cc2ccccc2o1 16838731 IAFUSAUKYZEAGT-UHFFFAOYSA-N 363.325 4.174 0 40 FIAB Cc1ccc2oc(C(=O)N(Cc3c(C)nn(C)c3C)C3CC3)c(C)c2c1 19220364 YGVLFDUWNLWSNV-UHFFFAOYSA-N 351.450 4.205 0 40 FIAB CCOc1ccc(C)cc1-c1csc(NC(=O)CC[C@H]2CCCO2)n1 19519873 GVOSFKULBGPKQO-CQSZACIVSA-N 360.479 4.415 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20744428 ZQUYTLKWZFYIBQ-INIZCTEOSA-N 366.808 4.375 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1-n1cncn1 24999987 GBNGOWFQZBINSO-UHFFFAOYSA-N 358.854 4.042 0 40 FIAB COc1cccc(Cn2cc(NC(=O)/C=C/c3ccccc3Cl)cn2)c1 28220700 GRAWPBAEYWMRMK-MDZDMXLPSA-N 367.836 4.245 0 40 FIAB O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1cccnc1 28343648 AAIBZMZHNAIGHY-UHFFFAOYSA-N 359.454 4.132 0 40 FIAB Cc1ccc(-c2nc(CN3CCN(Cc4ccccc4)CC3)co2)c(C)c1 29922496 CDKXPXDMSLBXAL-UHFFFAOYSA-N 361.489 4.276 0 40 FIAB COc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1Br 30763573 FGLUGRWHCPTCNK-INIZCTEOSA-N 374.278 4.305 0 40 FIAB COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)O)cc(OC)c1 33784994 GVLWEOZHRQJRTQ-ZROIWOOFSA-N 361.397 4.437 0 40 FIAB COc1ccc2cc(C(C)=O)cc(N(C(C)=O)C(=O)OC(C)(C)C)c2c1 35950243 GTVALBVJKOAQEC-UHFFFAOYSA-N 357.406 4.339 0 40 FIAB COc1ccc2cc(CNC(=O)NCc3cc(C)c(O)c(C)c3)ccc2c1 40119659 BIDVGXCCKOQQBP-UHFFFAOYSA-N 364.445 4.170 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 44948797 MAPZRGSTGVRQLU-FQEVSTJZSA-N 361.507 4.210 0 40 FIAB CC(C)Sc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1 45477950 PDLRZNDSONLTDI-UHFFFAOYSA-N 356.491 4.276 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 47320603 OYXWOWDBURXTIU-LBPRGKRZSA-N 357.797 4.104 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2cccc(COCc3ccco3)c2)s1 48277800 TWPBXKXKAVJGMV-UHFFFAOYSA-N 371.462 4.425 0 40 FIAB CCSc1ccccc1C(=O)N1CC(c2nc(-c3cccs3)no2)C1 49484284 CBMGRUXBPHZTGC-UHFFFAOYSA-N 371.487 4.150 0 40 FIAB CCOC1CCN(C(=O)c2csc(-c3ccc(OC(C)C)cc3)n2)CC1 58209966 WHLVNCLMJYKFFP-UHFFFAOYSA-N 374.506 4.238 0 40 FIAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)cc1 64471727 BUXLGNLKHOVLEL-UHFFFAOYSA-N 363.486 4.476 0 40 FIAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cccc(C3SCCCS3)c2)cn1 69159245 ZNCOMNCVOBKFQA-JKSUJKDBSA-N 359.520 4.031 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2c[nH]c(=S)c(C)c2)cc1 72218298 KRHLJXSJZVQPCT-QGZVFWFLSA-N 362.520 4.277 0 40 FIAB CCn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72358235 SUCNJNVDEMNAQG-NRFANRHFSA-N 364.468 4.365 0 40 FIAB Cc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72359442 GWZGEZTYNMKFPU-OAQYLSRUSA-N 371.484 4.401 0 40 FIAB C[C@@H](c1ccccc1F)N(C(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 75094250 GWLKWGUCHCQWBE-YOEHRIQHSA-N 354.425 4.064 0 40 FIAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C[C@@H]2CCCC2=O)cc1 79478517 IYEGJWLPZNFHGJ-PBHICJAKSA-N 365.429 4.069 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)C(C)(C)C 79754690 VISACZMWBRZXII-LJQANCHMSA-N 366.461 4.469 0 40 FIAB CN(C(=O)N[C@H]1CCOc2ccccc21)[C@H](c1ccccc1)c1ccccn1 89310287 MIEMVJPJGFROCY-SIKLNZKXSA-N 373.456 4.336 0 40 FIAB Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n1 89568356 JOATZKBMLYPFAS-GJZGRUSLSA-N 353.372 4.406 0 40 FIAB O=C(Nc1cccc2ccccc12)C(=O)N1CCC[C@H]1c1cccc(F)c1 95367690 YOJCYBNRKQUHCK-FQEVSTJZSA-N 362.404 4.281 0 40 FIAB Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)c(F)cc1F 95964475 SVPIEEHMZLVGNS-IBGZPJMESA-N 371.383 4.242 0 40 FIAB Cc1nn(-c2ccccc2)c2c1CN[C@H](c1cccc(F)c1)c1cccn1-2 96077919 XKSVAYNUQUTKKS-OAQYLSRUSA-N 358.420 4.303 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1cccc2ncccc12 215672306 PEIKONYALJJOOB-OKILXGFUSA-N 373.547 4.454 0 40 FIAB Cc1cccc(CNC(=O)COc2cc(C)c(Br)c(C)c2)c1 218841927 DUGNERCULLKDKS-UHFFFAOYSA-N 362.267 4.070 0 40 FIAB CCOc1ccc(C(=O)n2cc(C(=O)OC)c3ccccc32)cc1Cl 222645935 ZSJCMFIDFQTRCG-UHFFFAOYSA-N 357.793 4.169 0 40 FIAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Br)cc1 224725349 MHVJSGRVPDTUTO-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB CC(C)c1ccc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)cc1 225221105 NAIYRGGOEXSYPC-UHFFFAOYSA-N 369.534 4.030 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccc(C)cc2)c2cccnc12 225390307 XMGBIKRUOUFDHN-UHFFFAOYSA-N 365.502 4.471 0 40 FIAB Cc1nccn1-c1ccc(CNC(=S)Nc2cccc(Cl)c2)cc1 225456198 OGZVVPBMBAZZOL-UHFFFAOYSA-N 356.882 4.321 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(OC)cc2)c1C 225465037 CQBZKBLFTXQLDF-AWEZNQCLSA-N 372.490 4.228 0 40 FIAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc2ncsc2c1 225667259 UAHMEYSVEFTPIC-UHFFFAOYSA-N 351.456 4.350 0 40 FIAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225692597 RPSYOHMVDBTJSF-NRFANRHFSA-N 362.514 4.085 0 40 FIAB O=C(O)c1cc(OCc2ccc(Br)cc2)cc(Cl)c1O 226346464 WVSHPTZYKHZXAJ-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB Cc1cccc(Nc2cccc([C@@H]3CN(CCc4ccccc4)CCO3)n2)n1 257241145 HWTZJZDDEZPADH-NRFANRHFSA-N 374.488 4.145 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 409111669 DTDWFTSFZRTJGZ-FMIVXFBMSA-N 356.853 4.378 0 40 FIAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc12 409243144 ZAODDIYWOYLTSR-XSFVSMFZSA-N 372.424 4.331 0 40 FIAB O=C(c1ccc(Br)cc1OC(F)(F)F)C(F)(F)Cl 575243146 MVDLSLCNAGYYNP-UHFFFAOYSA-N 353.468 4.362 0 40 FIAB O=C(NCC1(C(F)(F)F)CC1)c1cccnc1Sc1ccccc1 672249815 PWNINEZZBLEBQX-UHFFFAOYSA-N 352.381 4.305 0 40 FIAB Cc1nc(C(C)(C)C)nc(O)c1C(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C 1142870998 VEWLNJNAEXSOFN-LSDHHAIUSA-N 361.530 4.370 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2cccs2)N1c1ccc(F)cc1 1615154462 FOCVNHAUICGYJA-OALUTQOASA-N 372.509 4.478 0 40 FIAB COc1c(S(=O)(=O)Nc2cc(C)ccc2C)ccc(Cl)c1Cl 1775971558 UVBLFKIGEDOMEW-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB Cc1ccnc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 2037988673 DBIUXQCQLBODII-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c1 856428 INGGWZGBLGPFIH-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CSc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1162764 AFXFAYICYMXKNY-MHWRWJLKSA-N 358.850 4.155 0 40 FIAB c1cc(-c2nnc3ccccn23)c2c(-c3nnc4ccccn34)cccc2c1 1567441 BIQSBUATCGOYNM-UHFFFAOYSA-N 362.396 4.259 0 40 FIAB CCOc1ccccc1-c1csc(NC(=O)c2ccccc2OC)n1 1791092 YJALITBRNZYGGI-UHFFFAOYSA-N 354.431 4.470 0 40 FIAB CCCc1cc(=O)oc2c(C)c(OCC(=O)c3cccc(OC)c3)ccc12 2146643 SYGJHVIPIDEJQH-UHFFFAOYSA-N 366.413 4.324 0 40 FIAB biogenic CCOc1ccc(NC(=O)CSc2nccn2-c2ccc(F)cc2)cc1 2723633 FGVCWTOMYOSUQW-UHFFFAOYSA-N 371.437 4.141 0 40 FIAB CCn1c(SCC(=O)c2ccc(C)cc2)nc2cc(Cl)ccc2c1=O 3270709 BQGWPQWJLKQRHJ-UHFFFAOYSA-N 372.877 4.353 0 40 FIAB COc1ccc2c(CC(=O)Nc3nc4ccc(OC)cc4s3)coc2c1 3362510 CXUVBTIZFFTJOQ-UHFFFAOYSA-N 368.414 4.241 0 40 FIAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 3371053 GJUNQDUEIZHAMC-UHFFFAOYSA-N 373.408 4.352 0 40 FIAB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1 3418855 JHRQQSCROKJBCO-KRWDZBQOSA-N 370.836 4.011 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc(Cl)c1 4120628 UXRFPDKHSWEIGL-CQSZACIVSA-N 374.893 4.239 0 40 FIAB CCN(C(=O)[C@H](C)Sc1nc(C)nc2ccccc12)c1ccccc1 4240428 QYEMORGLIKVIQP-AWEZNQCLSA-N 351.475 4.472 0 40 FIAB CN(C)CCCN(C(=O)c1ccccc1)c1nc2ccc(F)cc2s1 4359562 IHAZPQWTLWSPEI-UHFFFAOYSA-N 357.454 4.034 0 40 FIAB CCOC(=O)[C@@]1(c2ccccc2)Nc2ccccc2C(=O)N1c1ccccc1 4619702 PTIGUAGWNPYYGX-QHCPKHFHSA-N 372.424 4.175 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4816634 UVRPRLGPTPWTBL-QZTJIDSGSA-N 352.825 4.019 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 4816830 COCVLHXZMBTEAY-QZTJIDSGSA-N 352.825 4.019 0 40 FIAB CC(C)CC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 4922898 HWMMJGYCAUNNHS-UHFFFAOYSA-N 355.457 4.137 0 40 FIAB CSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 5222591 BHTVMHTXXRYQLT-UHFFFAOYSA-N 360.504 4.090 0 40 FIAB CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccc(Cl)cc1 5378120 XFDFIKFTJLMQFK-SFHVURJKSA-N 366.804 4.144 0 40 FIAB Cc1ccccc1-c1nn2c(-c3cc(-c4ccccc4)n[nH]3)nnc2s1 5459002 MVPGCJSZLHESSD-UHFFFAOYSA-N 358.430 4.218 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 6566179 OAWFPIZGCPVACK-OXJNMPFZSA-N 351.446 4.205 0 40 FIAB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 6965697 SRDZKPOFHHDLRO-JMERFSKESA-N 350.374 4.428 0 40 FIAB CC[C@H]1CCCCN1Cn1nc(-c2cc(OC)cc(OC)c2)oc1=S 6996562 WUEKJCCZSBTFGT-AWEZNQCLSA-N 363.483 4.112 0 40 FIAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccccc2)c(N2CCCC2)o1 7003285 MCLCFVSHDREVFT-UHFFFAOYSA-N 368.458 4.083 0 40 FIAB COc1ccc2cc(CN(C)C(=O)COc3ccccc3F)ccc2c1 7742390 KWSAJBXBEVDWMM-UHFFFAOYSA-N 353.393 4.025 0 40 FIAB NC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 7980690 UBAQRPKSEXSXRU-UHFFFAOYSA-N 365.389 4.389 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)n1 8055874 MYNALJXWGSDOIM-LLVKDONJSA-N 363.914 4.279 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccccn1 8132133 CRXKIFFQNRFLNI-OAHLLOKOSA-N 374.469 4.487 0 40 FIAB CCN(c1ccc(-c2csc(-c3ccccc3)n2)cc1)S(C)(=O)=O 8208331 XNGDEKAPMXCLGL-UHFFFAOYSA-N 358.488 4.263 0 40 FIAB Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)O)c(C)c1 8368561 ZLCDUVACLKXUMQ-DJKKODMXSA-N 362.223 4.280 0 40 FIAB CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccc(C)cc1C 8582632 CKWSHQXUZCNIRR-UHFFFAOYSA-N 364.445 4.097 0 40 FIAB O=C(Nc1cccnc1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844047 NEGSIWLUSBEEMJ-UHFFFAOYSA-N 368.396 4.164 0 40 FIAB CNc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 9648269 TVGKDDNMFSADBX-UHFFFAOYSA-N 350.813 4.254 0 40 FIAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccncc4)ccc3o2)cc1 9660044 XOURIGHVNFDTDN-UHFFFAOYSA-N 372.380 4.116 0 40 FIAB biogenic O=C(NCCc1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2 10502421 RHIJBFQKEAPGEX-UHFFFAOYSA-N 368.340 4.386 0 40 FIAB Cc1ccc(NC(=O)CNc2ccc(F)c(F)c2F)c(Br)c1 11041223 GNFYGSKGHMDKBO-UHFFFAOYSA-N 373.172 4.225 0 40 FIAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2nccs2)cs1 11326670 CNNNLATUZKYOFI-VOTSOKGWSA-N 357.460 4.139 0 40 FIAB Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)c1 12292311 DBZBERMUOVHAMT-HSZRJFAPSA-N 361.485 4.165 0 40 FIAB COc1ccc([C@@H]2CCCN2Cn2ncn(-c3ccccc3)c2=S)cc1 12609780 QCBBZNHXWJSGAR-IBGZPJMESA-N 366.490 4.206 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(OCc2cscn2)cc1 12764680 CHEVKISJMVICMY-CQSZACIVSA-N 368.458 4.222 0 40 FIAB O=C([C@H](N[C@H]1CCSc2c(F)cccc21)c1ccccc1)N1CCCC1 12794166 NUTWLMSUYROVEI-RBUKOAKNSA-N 370.493 4.316 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC[C@@H](C)C3)cc12 12806902 LLBFXNXVMJUNPL-CYBMUJFWSA-N 371.481 4.466 0 40 FIAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(Cl)c1 12897194 PGBGKZKNQYBAGD-LBPRGKRZSA-N 357.866 4.278 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)N[C@H](C)c3ccc(Cl)cc3)c(C)n2n1 12904306 ADBHXECFNRYRHP-CYBMUJFWSA-N 370.884 4.118 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 13708939 QAASLCDGVICNES-CQSZACIVSA-N 351.402 4.263 0 40 FIAB Cc1ccc(Cl)cc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 14002733 HUAQRWRXLALUDJ-UHFFFAOYSA-N 353.274 4.358 0 40 FIAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2 14110965 XWMAZDVPKSLDKJ-HNNXBMFYSA-N 361.397 4.488 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3)cc2)c1 14553117 KDPIGANZULGBTF-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB O=C(c1cccc(F)c1)N1C[C@H]2CCCN(Cc3ccc(Cl)cc3)[C@H]2C1 19293596 FAMBNOXBPKPLND-XLIONFOSSA-N 372.871 4.216 0 40 FIAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(C(=O)O)c1C 20144517 ZFYWDCWAOUBJDG-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB COc1ccc(CCn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 20799255 VRNYXMMRYRMUCR-UHFFFAOYSA-N 356.425 4.315 0 40 FIAB CN(C)CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 22075510 PLHBBWBFRNXPPO-UHFFFAOYSA-N 353.293 4.224 0 40 FIAB CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2ccccc21 22234414 YUPZXYGPDKBBKY-UHFFFAOYSA-N 360.335 4.293 0 40 FIAB COc1cc(NC(=O)CSCc2ccccc2F)c(OC)cc1Cl 22814136 ZMHJTFUYQZMRPL-UHFFFAOYSA-N 369.845 4.368 0 40 FIAB CC[C@H](NC(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(C)cc1 25065472 MESPZLZCAGQOFF-SFHVURJKSA-N 356.466 4.005 0 40 FIAB CC(=O)OC[C@@]12CO[C@@H](c3ccccc3OC(C)=O)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 26690340 ZWLSDBYOOPGGSP-MCBCHBBLSA-N 372.461 4.081 0 40 FIAB biogenic COc1ccc(CN(C(=O)c2cccs2)c2ccccn2)cc1OC 27581111 QAIPKLZYZSSNEZ-UHFFFAOYSA-N 354.431 4.007 0 40 FIAB O=C(COc1cccc(Cl)c1)N(Cc1cccs1)c1ccccn1 27662650 SYYMSZONCVEBAB-UHFFFAOYSA-N 358.850 4.409 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NCc2cc(Cl)c3c(c2)OCCCO3)c1 28925135 YDKJNOAACQZTOK-CYBMUJFWSA-N 374.868 4.311 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1cc(C2CC2)nn1-c1ccccc1 31676126 HKTXTJOVHSEABQ-UHFFFAOYSA-N 367.836 4.421 0 40 FIAB COC(=O)c1ccc(C(=O)N2CC=C(c3c[nH]c4cccc(C)c34)CC2)cc1 32313180 AGPWHUWURLSENU-UHFFFAOYSA-N 374.440 4.192 0 40 FIAB C[C@H](CNC(=O)CCCc1nc(-c2cccs2)no1)c1ccccc1 32475989 PLQKNZBUBCFOGJ-CQSZACIVSA-N 355.463 4.041 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)n1 32578670 OZXWTVDQZBLLIC-UHFFFAOYSA-N 355.369 4.017 0 40 FIAB O=C(Cc1ccc(Br)cc1)Nc1cc(-c2ccccc2)n[nH]1 32610560 NSINKBPWIIZADJ-UHFFFAOYSA-N 356.223 4.020 0 40 FIAB O=C(Nc1ccccc1O)c1ccc(-c2ccc3c(c2)OCCO3)s1 32721884 JOXKRBNPAYEVJQ-UHFFFAOYSA-N 353.399 4.144 0 40 FIAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c(F)cccc1Cl 32788288 SNVWHQWNDCZWFO-UHFFFAOYSA-N 374.843 4.035 0 40 FIAB O=C(NCCCCOc1ccc(Cl)cc1)N[C@@H]1CCc2ccccc21 32889731 ZZJPWPSWIGOVDR-LJQANCHMSA-N 358.869 4.486 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccco1)CCC3 35292378 LWGYYTOEFQEDTJ-UHFFFAOYSA-N 352.459 4.033 0 40 FIAB C[C@@H]1CCCN(C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)[C@@H]1C 36058548 AOWYYPBYAPIMFX-LZJOCLMNSA-N 372.553 4.166 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCCn3cc(C)cn3)n2)cc1 36612858 XCCBQEQVVQLQMV-UHFFFAOYSA-N 361.371 4.088 0 40 FIAB Cc1nc(C)c(C(=O)OCc2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 36662544 QMURKBPMIFGAPX-JTQLQIEISA-N 370.430 4.095 0 40 FIAB O=C(Cn1ccc2ccc(Br)cc21)Nc1cccnc1Cl 40286970 JSOJXLMSNFQXDR-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB O=C(Nc1ccc(NC(=O)N2CCCC2)c(C(F)(F)F)c1)c1ccoc1 47914449 ZIKXXHZOCAXXIM-UHFFFAOYSA-N 367.327 4.178 0 40 FIAB C[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1 49581012 ZXDWMKBGXXQLFV-NWDGAFQWSA-N 361.367 4.354 0 40 FIAB O=C(Nc1ccc(Cl)cc1)C(=O)N(Cc1ccco1)Cc1cccs1 52837017 ILLVYPZVQFGIJV-UHFFFAOYSA-N 374.849 4.162 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@H](C)Sc2nncs2)c2ccccc2)cc1 55006614 MGYZZIMNRUHYOJ-WMLDXEAASA-N 369.515 4.233 0 40 FIAB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58029810 HCJLBBCPFYHITO-JXFKEZNVSA-N 355.434 4.392 0 40 FIAB O=C(Cc1csc(-c2cccnc2)n1)N[C@H]1CCc2cc(Cl)ccc21 58208708 WZORLWOKFVYGRD-KRWDZBQOSA-N 369.877 4.205 0 40 FIAB Cc1cc(N2CCC(Cc3cccc(F)c3)CC2)nc(-c2ccncc2)n1 60860187 YEEZDDQDQOXIAL-UHFFFAOYSA-N 362.452 4.445 0 40 FIAB O=C(Nc1nccs1)c1sc(-n2cccc2)nc1-c1ccccc1 61720880 DATSADXHSGWFMD-UHFFFAOYSA-N 352.444 4.310 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1nccc2ccccc12 65607277 HAXRRIBIRXDOPG-MOPGFXCFSA-N 350.393 4.024 0 40 FIAB O=C(Nc1ccc(N2CCCC2)c(F)c1)Nc1ccc2oc(=O)ccc2c1 67719803 ZNDNMQALFCIARH-UHFFFAOYSA-N 367.380 4.176 0 40 FIAB Cc1cc2ccccc2n1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 72277102 HWPGKWAXFWHPLQ-OAQYLSRUSA-N 360.461 4.340 0 40 FIAB COc1ccc(CCC(=O)N(Cc2cccc(O)c2)CC2CC2)cc1Cl 72311446 QEADLMOUUPHTJC-UHFFFAOYSA-N 373.880 4.426 0 40 FIAB Cc1nc(-c2cccs2)sc1CNC(=O)NCCOc1ccccc1 90592828 JBOJBPDAAFGTGK-UHFFFAOYSA-N 373.503 4.058 0 40 FIAB CO[C@@](C)(CNC(=O)c1ccc(OC(C)C)cc1)c1cccc(Cl)c1 96392504 UGVAWIGGBDJUHX-FQEVSTJZSA-N 361.869 4.419 0 40 FIAB C[C@H](NC1(CNCc2ccc([C@@H]3C[C@H]3C)o2)CCOCC1)c1ccccc1 97002567 ZXJCGYDYWHXRHF-LVCYWYKZSA-N 368.521 4.393 0 40 FIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100725071 JHMZBEBSHAZNNI-SOJYOXCPSA-N 371.436 4.345 0 40 FIAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 103718847 CRZMMTOVZNFSEN-CQSZACIVSA-N 372.852 4.039 0 40 FIAB CCOc1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 170564517 PZAZQXYVXKOQKY-UHFFFAOYSA-N 362.433 4.488 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1 222821858 JETGFMZJDBKKHJ-UHFFFAOYSA-N 355.441 4.323 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1Cl 223097721 MVGZCLKSLKEPFP-UHFFFAOYSA-N 360.841 4.129 0 40 FIAB COc1ccc(-c2ncc(C(=O)NCCC3=CCCCC3)c(C)n2)cc1 223138273 SVZUPCRXIYEIAM-UHFFFAOYSA-N 351.450 4.081 0 40 FIAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)o2)c1 224517993 UDBXGRHNGJVBOP-OALUTQOASA-N 365.458 4.169 0 40 FIAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225595302 ASZKNRIXEYYJRM-SFHVURJKSA-N 365.470 4.208 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC 225669224 NYPLTCRFEOFXGV-UHFFFAOYSA-N 371.477 4.416 0 40 FIAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(C)cc2)CC1 242928966 GYFXDHOIKNRDKF-UHFFFAOYSA-N 364.489 4.357 0 40 FIAB CC(C)CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257258954 KWFDODNSPMOECT-UHFFFAOYSA-N 366.505 4.250 0 40 FIAB Cc1noc(Cl)c1CCC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 331546999 QGKVHAABHYMSAH-AWEZNQCLSA-N 366.820 4.127 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)NC3CCC(C(C)(C)C)CC3)CC2=O)c1 408706741 CYBFNGYMIAJKNQ-AOCRQIFASA-N 356.510 4.069 0 40 FIAB CCN(CC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 408718437 OAJARMRWCIXCJL-NTUHNPAUSA-N 359.278 4.329 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)N=c2ccn(C(C)C)[nH]2)cc1 519681291 GYEURBBPNQIGCO-GOSISDBHSA-N 356.470 4.044 0 40 FIAB O=C(Nc1ccc2ccoc2c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 558418681 AHUZOGMKMHCDFZ-AABGKKOBSA-N 362.429 4.469 0 40 FIAB O=C(NCCc1cccc2cccnc12)NCC1CC(c2ccccc2)C1 571540031 MYZDYXZDUYEHQB-UHFFFAOYSA-N 359.473 4.270 0 40 FIAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 596614888 YNMNWXYKLQPQBO-QGZVFWFLSA-N 370.301 4.409 0 40 FIAB FC(F)(F)c1ccc(N2CC(n3c(C4CC4)nc4ccccc43)C2)nc1 1888897602 QEAVTXFGFVMAHH-UHFFFAOYSA-N 358.367 4.389 0 40 FIAB CC1(C)C[C@@]2(C[C@@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=O)N1 885498 USVAGCPQMZRPOS-YWZLYKJASA-N 372.852 4.138 0 40 FIAB Cn1ncc(Br)c1C(=O)Nc1ccc(C2CCCCC2)cc1 973735 UVVVKWUQKOKEDM-UHFFFAOYSA-N 362.271 4.483 0 40 FIAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)Nc1ccccc1F 3495640 YMNSSVAFUDADIP-SNVBAGLBSA-N 372.450 4.202 0 40 FIAB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 3504109 CZVIFFABPFIYID-CQSZACIVSA-N 366.490 4.323 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4082265 VMDWSMDCEKVFLR-TVTJZYCKSA-N 374.521 4.201 0 40 FIAB biogenic O=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccc(F)cc1 4119971 TXQQASDOSULDNA-UHFFFAOYSA-N 362.857 4.153 0 40 FIAB CCCCc1ccc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc1 4710994 YNNZEESJNNNUAA-UHFFFAOYSA-N 369.534 4.254 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc4c(s3)CCCC4)CC2)c1C 4895699 UKKGFOFRHOAIDF-UHFFFAOYSA-N 354.519 4.206 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1 5205313 BUMYWALJHLPGJM-UHFFFAOYSA-N 356.381 4.109 0 40 FIAB Cn1c(NC(=O)c2ccco2)c(-c2cccs2)c(=O)c2ccccc21 5271993 DPFCJKHPWPVHNF-UHFFFAOYSA-N 350.399 4.112 0 40 FIAB Cc1ccc(SCCNC(=O)COc2cccc3ccccc23)cc1 5280881 GGPKFJAVJARKFU-UHFFFAOYSA-N 351.471 4.436 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 5613887 AZHIFKFKSHZZSA-UHFFFAOYSA-N 372.635 4.371 0 40 FIAB O[C@@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 5765773 QHBUYWDPCOLIBA-PKTZIBPZSA-N 360.453 4.493 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 5785217 CCBWFOJTZQOALF-LJQANCHMSA-N 363.461 4.251 0 40 FIAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 6244233 XDJFIHHUINBXQZ-UHFFFAOYSA-N 357.378 4.289 0 40 FIAB CC(C)COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 6327002 RLNOZMZYQYHXRA-WOJGMQOQSA-N 370.836 4.472 0 40 FIAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)cc1OC 6334065 RNTPHKDCANIUBB-DHZHZOJOSA-N 366.442 4.479 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)S[C@@H](C)C(=O)N2 6678963 XUFKYBCXCJSITN-BLLLJJGKSA-N 355.488 4.405 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2Cl)N3)C1 6857687 ACYMKJUNJBVQFL-CQSZACIVSA-N 368.289 4.472 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 6860283 ZBTNQSQNTPIWDL-UHFFFAOYSA-N 361.879 4.385 0 40 FIAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)N1CCCC[C@H]1C 6959767 CEOCHOFTLSDFTR-GFCCVEGCSA-N 366.383 4.096 0 40 FIAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1c(F)cccc1F 7922180 DHIXJTIVERZQCF-LLVKDONJSA-N 361.417 4.206 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 7929310 PCXKSWAKCQYOSD-INIZCTEOSA-N 351.446 4.251 0 40 FIAB COc1ccccc1Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8209061 IDECNZUUIICITK-UHFFFAOYSA-N 351.431 4.447 0 40 FIAB Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8267706 XXLBAWSYZZCWDO-UHFFFAOYSA-N 354.494 4.046 0 40 FIAB CC[C@@H](CO)NCc1c(OCc2ccccc2F)ccc2ccccc12 8326256 HBGWQFHUJRYYBY-SFHVURJKSA-N 353.437 4.418 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)CCCC(=O)O)c1 8434567 VEJZYNXPXKPJHC-UHFFFAOYSA-N 374.824 4.094 0 40 FIAB Cc1ccc(-c2csc(=O)n2CC(=O)Nc2ccc(C)c(C)c2)cc1 8755567 BELHBWYMZGROCL-UHFFFAOYSA-N 352.459 4.141 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1 8917008 RTZSBTHUUJNLCU-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)c1cccs1 9038471 QNVBDSLETJACHA-UHFFFAOYSA-N 362.454 4.199 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2NC1=O 9314152 FJEMVORHSWCYCK-NSHDSACASA-N 360.866 4.045 0 40 FIAB O=C(N/C(=C/c1cccs1)C(=O)N1CCc2ccccc21)c1ccccc1 9667843 XCKMSFJRFACYDS-XDJHFCHBSA-N 374.465 4.108 0 40 FIAB O=C(CCc1ccccc1)Nc1nnc(CSc2ccccc2)s1 9668473 RFZBGISTXNREOV-UHFFFAOYSA-N 355.488 4.402 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=S)Nc3cccc(C)c3C)CC2)c1 9876997 NUQURJXGUVVDPV-UHFFFAOYSA-N 353.535 4.439 0 40 FIAB CC1CCN([C@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CC1 10216976 IPJKGMSJBOUDHU-QGZVFWFLSA-N 361.486 4.482 0 40 FIAB COc1ccc(-c2cc(-c3nc(-c4ccc(C)cc4)no3)[nH]n2)c(OC)c1 10273131 MDSORRMSQWPXNS-UHFFFAOYSA-N 362.389 4.119 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842502 YVPFSTHQXXIDFY-OAHLLOKOSA-N 351.450 4.091 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 10925742 ATDYZTZPFAHDNU-UHFFFAOYSA-N 366.461 4.350 0 40 FIAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCCCC1 11566008 OVNRDNYHURCLAC-UHFFFAOYSA-N 353.528 4.472 0 40 FIAB CSc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12039052 JZKWMCKKDDJHRL-UHFFFAOYSA-N 372.534 4.070 0 40 FIAB Cn1c(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)nc2ccccc21 12558674 IIXARESIYOUZCY-LSDHHAIUSA-N 373.378 4.012 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN(C)C)cc1 12771035 SBNKZGLRQXKCMF-CQSZACIVSA-N 362.926 4.199 0 40 FIAB O=C(O)c1cccc2c1CCCN2C(=O)c1ccccc1SC(F)F 12794334 NCUDHTPKHOSUPU-UHFFFAOYSA-N 363.385 4.293 0 40 FIAB CC[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(C)cc1 12869453 BTICSCAAXFOTQT-HXUWFJFHSA-N 365.477 4.294 0 40 FIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 13069010 ZWCMPRHXSIWSAL-ZDUSSCGKSA-N 366.383 4.173 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 13673222 POMGNZIAHDAYFX-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCNCC4)c23)C1 13998646 BXONUORTYBNVIJ-AWEZNQCLSA-N 370.566 4.129 0 40 FIAB COc1ccc(OC)c(CSc2nc(C3CC3)n(-c3ccccc3)n2)c1 14128546 KXBMDEZNPHRLCS-UHFFFAOYSA-N 367.474 4.454 0 40 FIAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)N[C@@H](C)c1cccs1 14163571 FODAVUKHXNTELP-NSHDSACASA-N 371.478 4.280 0 40 FIAB CCOc1ccc(OCC)c(-c2csc(NC(=O)c3cnoc3C)n2)c1 14183707 RAWMAKCJUYKSDJ-UHFFFAOYSA-N 373.434 4.156 0 40 FIAB Cc1c(O)ccc2c(CN[C@H](c3ccc(F)cc3)C(C)C)cc(=O)oc12 15550541 XGOKNTIKVIXIRQ-FQEVSTJZSA-N 355.409 4.433 0 40 FIAB CCN(CC)c1ccc(NC(=O)CCc2cc(OC)cc(OC)c2)cc1 15577611 KFTCVWSAVSZZOJ-UHFFFAOYSA-N 356.466 4.121 0 40 FIAB Cc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCCCC2)o1 15860208 VOJGLOHFDUAJRO-QSVDNLTKSA-N 370.537 4.448 0 40 FIAB COc1ccc2cc([C@@H]3SCC(=O)N3c3ncc(C)s3)ccc2c1 17198100 VIRXKRAQYNFMAN-KRWDZBQOSA-N 356.472 4.392 0 40 FIAB CCC/[S@@](=N/S(=O)(=O)c1ccc(Br)cc1)C(C)(C)C 17379939 PVNFJAOYOGECPX-SFHVURJKSA-N 366.346 4.148 0 40 FIAB Cc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@@H]3NCCCCC[C@H]32)s1 19217063 XTEPHJXAMXMUPZ-NSHGMRRFSA-N 372.509 4.336 0 40 FIAB O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCCC3)CC[C@@H]21 19406571 FCOMGQHPLVUABP-UFYCRDLUSA-N 358.551 4.107 0 40 FIAB CCc1ncc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cn1 19523461 XLCBEMAZCYQAJK-INIZCTEOSA-N 358.536 4.247 0 40 FIAB CCN(C(=O)c1cc2ccccc2o1)[C@H]1CN(C(C)=O)C2(CCCCC2)C1 19704188 UXGQJIFXXVNONE-GOSISDBHSA-N 368.477 4.219 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 20609906 UPBJUCHROKFBJB-UHFFFAOYSA-N 372.428 4.000 0 40 FIAB CCc1cccc2c(C(=O)CN3CCO[C@H](c4ccc(F)cc4)C3)c[nH]c12 23186468 FXWRHZNCWBAAMR-NRFANRHFSA-N 366.436 4.126 0 40 FIAB COc1ccc(OC)c(CN(C(=O)c2ccc(Cl)cc2F)C2CC2)c1 25807659 WLOZMOMIVGSURK-UHFFFAOYSA-N 363.816 4.301 0 40 FIAB CCCOc1ccccc1OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 26782237 QRHFHMLPMWEVPH-UHFFFAOYSA-N 373.836 4.475 0 40 FIAB Nc1nc(CSc2nc3ccccc3n2C(F)F)nc2ccccc12 29904570 NOZHXVTZJOHCGC-UHFFFAOYSA-N 357.389 4.249 0 40 FIAB O=C(Cc1csc(-c2ccccn2)n1)N1CC=C(c2ccccc2)CC1 30996067 RNQVMQDBPGSNJU-UHFFFAOYSA-N 361.470 4.064 0 40 FIAB COC(=O)c1cc(NC(=O)CSCc2cccc(C)c2)ccc1Cl 31056168 CBINAZSNSSQALA-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB O=C(CSc1ccccn1)Nc1nc(-c2ccc(F)c(F)c2)cs1 31682624 SOVPGLQXXDOXDB-UHFFFAOYSA-N 363.414 4.214 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCOCc1ccco1 32865833 JGXFBEUEAXZUHF-UHFFFAOYSA-N 358.825 4.126 0 40 FIAB O=C(Nc1cccc(F)c1)C1CCN(c2nc3ccccc3s2)CC1 35290291 SBIZPGZYHZIAQU-UHFFFAOYSA-N 355.438 4.291 0 40 FIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc2nccnc12 35311259 KJKNQQXQTNFOBL-UHFFFAOYSA-N 365.396 4.425 0 40 FIAB CC1=Nc2c(NC(=O)c3ccc(C)cc3)c(Nc3ccccc3)nn2C(=O)C1 35671223 JDUOPOWMSNYOJV-UHFFFAOYSA-N 373.416 4.324 0 40 FIAB O=C(/C=C/c1cccs1)N1CCC(Cn2cnc3ccccc32)CC1 36708711 AAQYFQMODKVVPM-BQYQJAHWSA-N 351.475 4.050 0 40 FIAB O=C(NCCc1ccc(O)cc1)OCC1c2ccccc2-c2ccccc21 38244427 VKBOVEWAQAWKAS-UHFFFAOYSA-N 359.425 4.473 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1O 40282909 DLEXBSGBZWAYAQ-LBPRGKRZSA-N 369.808 4.364 0 40 FIAB Cc1ccc(-c2cnc(SCC(N)=O)n2-c2ccc(Cl)cc2)cc1 44087558 NDGZSXVDIHBLRK-UHFFFAOYSA-N 357.866 4.079 0 40 FIAB COc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1 44845130 BWLAOJBYRBGHEQ-LLVKDONJSA-N 354.233 4.258 0 40 FIAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C)c3nc(C4CC4)no3)o2)c1 48355038 IMWAZJICQRCHLB-LBPRGKRZSA-N 372.450 4.379 0 40 FIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1 49005513 OUVPDHFYOWXODN-UHFFFAOYSA-N 352.413 4.303 0 40 FIAB COc1ccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)c(OC)c1 57369665 XSANLMOQFFALMF-HNNXBMFYSA-N 364.445 4.146 0 40 FIAB O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)Nc1cccc2ccccc12 58244619 YQSBMLQCUQRJRJ-IBGZPJMESA-N 374.362 4.411 0 40 FIAB COCCn1cc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c2ccccc21 62244343 MREIORXNKFKUAL-KZNAEPCWSA-N 354.494 4.376 0 40 FIAB COc1cc(Cl)ccc1C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 67215661 OXEBQHUGNKQHBU-UHFFFAOYSA-N 369.852 4.245 0 40 FIAB C(CCN1CCN(c2ncccn2)CC1)=C(c1ccccc1)c1ccccc1 71404352 GQPURKBPAQZWSI-UHFFFAOYSA-N 370.500 4.121 0 40 FIAB c1cnc(Nc2nccc([C@@H]3CCCCN3CC3CCCCC3)n2)cn1 72377846 ZYSNKGNXADZGTL-SFHVURJKSA-N 352.486 4.118 0 40 FIAB C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1 78869708 WCJTWNTUVGCVAY-CQSZACIVSA-N 373.378 4.441 0 40 FIAB Cc1cc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)nc(N2CCCCC2)n1 95450168 MOBGAMXCEBYJTA-VFNWGFHPSA-N 368.500 4.328 0 40 FIAB CCN(CC)CCCNC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C 96037358 HYZOPEKNKNZIMK-UHFFFAOYSA-N 368.525 4.176 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2C(F)(F)F)CC1 98213785 UZXZGDYNTTYYLC-UHFFFAOYSA-N 373.371 4.059 0 40 FIAB O=C(Nc1ccccc1OCc1ccn(-c2c(F)cccc2F)n1)C1CC1 154371349 NGEJUFZDNZZTTG-UHFFFAOYSA-N 369.371 4.078 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 169682767 CPVAUVXVNODHPE-ZHMYYEFOSA-N 355.743 4.060 0 40 FIAB CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cnn([C@H](C)C3CC3)c1)CCC2 189729533 MQSYTCPDRGGZOS-WBMJQRKESA-N 373.526 4.414 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCS[C@H](c2ccccc2)CC1 206986369 RIEPOQPNJUOKQL-FQEVSTJZSA-N 350.487 4.348 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1OC 219559420 IQLJVNNLJXHZMJ-SFHVURJKSA-N 371.477 4.000 0 40 FIAB C[C@@H]1CCCN(c2ccc(NC(=S)N[C@H](C)c3ccccc3)cn2)C1 223957572 DVQZASQDGQOQFF-HZPDHXFCSA-N 354.523 4.366 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)ccc1OC 224345278 XFPOICGTOAXROL-FQEVSTJZSA-N 369.461 4.379 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2C)s1 224880848 KPLUWSVDGIRROA-LBPRGKRZSA-N 351.497 4.145 0 40 FIAB Cc1ccc(N(C)CCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 224981915 RPXPSYHLOYIAQE-UHFFFAOYSA-N 358.485 4.457 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccccc3F)ccc21 225179610 UHDIMIHKQBQLTP-UHFFFAOYSA-N 358.438 4.354 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC)c2ccc(OC)cc2)c1 225489429 IYWXBHXPJIKWNG-GOSISDBHSA-N 372.490 4.310 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 408706770 DLIVLZOKIAMGKW-LMDPOFIKSA-N 370.537 4.459 0 40 FIAB CCc1oc2ccccc2c1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 557025656 SRRXBYYUODBLGV-HNNXBMFYSA-N 350.466 4.370 0 40 FIAB Cn1c(=O)ccc2ccc(NC(=O)N[C@H]3CC(C)(C)c4ccccc43)cc21 574909987 BPAKIKQDCIHLRR-SFHVURJKSA-N 361.445 4.083 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)Nc1cccc(OC)c1)c1nc2ccccc2[nH]1 575443462 KEYCQIBGGXAOAW-ACJLOTCBSA-N 352.438 4.480 0 40 FIAB COc1ccc([C@H](C)NCc2cnc(-c3ccccc3)[nH]2)c(C)c1OC 585083599 KRBASPSJKRKPRV-HNNXBMFYSA-N 351.450 4.253 0 40 FIAB O=C1C[C@H]2[C@H](CCN2CC2CCCCC2)N1Cc1ccc(F)cc1Cl 585109034 PGGOFUYGJLIKPQ-OALUTQOASA-N 364.892 4.235 0 40 FIAB O=C1CNCCCCCOc2ccccc2Oc2ccc(Cl)cc2N1 1615079736 OLIVYWFFQYPREK-UHFFFAOYSA-N 360.841 4.223 0 40 FIAB Cc1ccc2c(c1)[C@H]1NC(=O)N(Cc3cccs3)[C@@]3(CCSC[C@@H]13)O2 1776004502 SKLLTHNFZDQGKJ-WDYCEAGBSA-N 372.515 4.165 0 40 FIAB Cc1cccnc1CN1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 2037988860 LTYRTLCYEXKVLK-UTKZUKDTSA-N 353.485 4.409 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1 754032 ZDFBPRZOYUHILJ-NSHDSACASA-N 359.451 4.089 0 40 FIAB COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)c3ccccc3)n12 928478 SNTYWIRTYKSMTL-UHFFFAOYSA-N 363.442 4.175 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 1000205 OMCXRYACTYEXPC-RMKNXTFCSA-N 361.272 4.355 0 40 FIAB O=C(c1ccc(CSc2nc3ccccc3s2)cc1)N1CCOCC1 1083539 KQMOSXMVBUQQNU-UHFFFAOYSA-N 370.499 4.061 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 2194385 GJWQLMYKCUGZAE-LLVKDONJSA-N 359.838 4.265 0 40 FIAB CCN(CC)c1ccc(Nc2nc(Cl)ncc2Br)cc1 2205071 TZSKODXHAYJMKJ-UHFFFAOYSA-N 355.667 4.482 0 40 FIAB C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@H](c1cccs1)N1CCCC1 3206344 XIAOEYNSXORRSX-CXAGYDPISA-N 363.527 4.399 0 40 FIAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NC1CCCCCC1 3291178 STNRWNGSWDIBTO-UHFFFAOYSA-N 361.457 4.020 0 40 FIAB Cc1ccc2c(COC(=O)c3ccc(OC(F)F)cc3)cc(=O)oc2c1 3518175 OKXFPZLGRXPCJT-UHFFFAOYSA-N 360.312 4.060 0 40 FIAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(F)cc1)CSC2 3893211 OLNFCYUHLIZIBS-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2Cl)o1 4189397 IFUNDWDJVVSDFG-VXGBXAGGSA-N 365.886 4.272 0 40 FIAB C[C@@]12C(=O)N(c3cc(Cl)c(Cl)c(Cl)c3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4380266 VKZOVFGPABOWFY-ISCMFWEASA-N 356.636 4.348 0 40 FIAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)NCc2ccccc2)cc1 4699236 QIZOVFSGYNLTEA-QGZVFWFLSA-N 352.478 4.481 0 40 FIAB CC(C)CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 4816433 FAQKAXFCPUKHHO-UHFFFAOYSA-N 369.856 4.292 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2nnc3ccccc32)cc1 6476849 JDKZOEYNOYQIEN-UHFFFAOYSA-N 362.820 4.385 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)c(C)c1 6613316 SRGFKLPVENCXFZ-UHFFFAOYSA-N 369.490 4.025 0 40 FIAB O=C(CSCc1ccc(F)cc1)Nc1cccc(Br)c1 7146553 MVHGZWHLQJDFNE-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB CC(C)c1ccc(-c2noc(CSc3nnc4n3CCCCC4)n2)cc1 7426238 PLMGJVJYGSJHEP-UHFFFAOYSA-N 369.494 4.470 0 40 FIAB COc1ccccc1N1CCN(C(=S)Nc2ccc(C(C)C)cc2)CC1 7522441 AFFRHSIQCNQXSX-UHFFFAOYSA-N 369.534 4.338 0 40 FIAB O=C(c1cc(F)cc(F)c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7670524 UHBCFNPRNPFPFF-OAHLLOKOSA-N 374.412 4.400 0 40 FIAB COc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 7698998 IFNRSNFMJNDWGB-NSHDSACASA-N 354.233 4.086 0 40 FIAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1c(F)cccc1F 7868976 VWSIUJZZFRGGQZ-NSHDSACASA-N 365.401 4.245 0 40 FIAB COc1ccc(CC(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8862971 USLKXMIYLMNPNQ-FQEVSTJZSA-N 372.534 4.033 0 40 FIAB Cc1nc2ccccc2nc1SCC(=O)c1cc2ccccc2oc1=O 8867319 XNJJXXKLUQMGIL-UHFFFAOYSA-N 362.410 4.020 0 40 FIAB Oc1ccccc1-c1nnc2c3ccccc3c(Cc3ccccc3)nn12 9305528 OOAJBEKPDIUTBA-UHFFFAOYSA-N 352.397 4.241 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 10030065 PDWLKZNARGYZID-HNNXBMFYSA-N 366.490 4.001 0 40 FIAB Cc1cc(C(=O)N[C@@H](c2ccccc2)C(C)C)c2cnn(C(C)C)c2n1 10968129 UKZABXBWSJOLIK-LJQANCHMSA-N 350.466 4.448 0 40 FIAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(Cc2ccc(Cl)cc2)c1C 12372615 HCOMBYYLERJXSM-UHFFFAOYSA-N 374.893 4.222 0 40 FIAB CC(=O)Nc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1 12614275 GUMXVEZHKVBVPB-UHFFFAOYSA-N 365.458 4.007 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccccc1C(F)(F)F)c1ccccc1 12778421 IDDORQSOLHCVAY-AWEZNQCLSA-N 350.384 4.015 0 40 FIAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccccc1F 12981732 ZINFFEWXKIRKAE-LJQANCHMSA-N 358.413 4.344 0 40 FIAB Cc1cccc(-n2ncc(C(=O)N(C)Cc3ccccc3Cl)c2C)c1 13009050 WUEDSQDAAMFKEL-UHFFFAOYSA-N 353.853 4.415 0 40 FIAB CCN(CC(=O)Nc1cccc(SC)c1)Cc1ccc(OC)c(F)c1 13010800 FMACGRFNUOLSOL-UHFFFAOYSA-N 362.470 4.017 0 40 FIAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1cccc(C(F)(F)F)c1 13084759 HLRWNPDQHYPBLA-UHFFFAOYSA-N 373.714 4.075 0 40 FIAB COc1cc(CNC(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1 13235585 GUMXXCFBXZUNJG-UHFFFAOYSA-N 355.221 4.332 0 40 FIAB OC12C[C@H]3C[C@@H](C1)CC(NCc1ccc(OCc4ccccc4)cc1)(C3)C2 13728220 WSIJRZGVTUDJEN-MNZGCLKASA-N 363.501 4.439 0 40 FIAB COc1cccc(NC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)c1 14670830 OFIPSQQAVMXBTI-UHFFFAOYSA-N 353.249 4.073 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 15496379 XMXCADDXBYMYBQ-SNVBAGLBSA-N 351.233 4.443 0 40 FIAB O=C1NC(c2ccccc2Cl)=N/C1=C\c1cccc(Br)c1 16449467 GGLYXQZSLIGXII-ZROIWOOFSA-N 361.626 4.020 0 40 FIAB Cc1ccc(-c2nc(N3CCOCC3)ncc2-c2c[nH]c3ccccc23)o1 19216680 LUTRMBIXAKJKHN-UHFFFAOYSA-N 360.417 4.030 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 20041888 GXLJRHNICBPVEJ-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(C(=O)O)c1 20144505 KPAXTTSAFWHABL-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB CCOC(=O)c1cc(NC(=O)/C=C/c2ccccc2OC)ccc1Cl 20458633 WGTHECKKRKQLKY-DHZHZOJOSA-N 359.809 4.177 0 40 FIAB O=C1NCCCC[C@@H]1Sc1ncc(-c2ccccc2)n1-c1ccccc1 22202355 GTMLEDJBAGLKCA-IBGZPJMESA-N 363.486 4.300 0 40 FIAB O=C1Cc2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc2N1 22506486 JLKKNDHNAPCFLQ-UHFFFAOYSA-N 357.413 4.092 0 40 FIAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 22507014 CHFQVIIQDZEEGI-UHFFFAOYSA-N 353.422 4.394 0 40 FIAB FC(F)(F)c1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 22530622 WKFPRQYDJSRNJQ-UHFFFAOYSA-N 361.367 4.169 0 40 FIAB COc1ccc(C)cc1NCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 24217151 CSXCZMCPPQJLJO-INIZCTEOSA-N 352.478 4.172 0 40 FIAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1c(F)cccc1F 24931283 FUHBLOTYKKEXIB-SFHVURJKSA-N 367.399 4.017 0 40 FIAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)c1 25107206 OPSVCEJMQHODJV-UHFFFAOYSA-N 372.787 4.080 0 40 FIAB COc1ccc(OC)c(C(=O)CSc2nc(C)c(C)n2CC(C)C)c1 26051566 BTDDLFXWNMDTCZ-UHFFFAOYSA-N 362.495 4.148 0 40 FIAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1F 27664519 XVTOKWSUCKUBLQ-IBGZPJMESA-N 360.860 4.436 0 40 FIAB CCn1ncc(Br)c1C(=O)Nc1cc(Cl)ccc1Cl 28223750 RIGRILLFLLVXDR-UHFFFAOYSA-N 363.042 4.225 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)n(-c2ccc(F)cc2)n1 28244847 VYCIJVUSLVBIJT-INIZCTEOSA-N 367.424 4.343 0 40 FIAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)NC3CC3)c12 29564253 WHJZPLKDBGVIIA-UHFFFAOYSA-N 361.323 4.109 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(c2ncccn2)C1 32451287 UDOOEGUKBHFDBK-KRWDZBQOSA-N 374.444 4.124 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc(Cl)cc1 32796226 YPVOVPSSKKKESS-KRWDZBQOSA-N 357.837 4.365 0 40 FIAB CSc1ccc(-c2ccnc3nc(Nc4ccccc4)[nH]c(=O)c23)cc1 39403991 FULODISNIWNWSC-UHFFFAOYSA-N 360.442 4.451 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2nnc(-c3ccccc3)o2)cc1OC 40067025 RCCMTUWVUIOHIC-KRWDZBQOSA-N 365.433 4.091 0 40 FIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc(Br)cc1F 40072633 XCOIXHAOILZWCC-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB CCOCCCC(=O)Nc1c(-c2ccc(F)cc2)nc2cc(C)ccn12 40130984 YBUIKVKHEWRFKZ-UHFFFAOYSA-N 355.413 4.204 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)NCc1ccnc(OC2CCCC2)c1 45927776 DUKUDACOICGYFC-AWEZNQCLSA-N 371.506 4.293 0 40 FIAB O=c1oc2ccccc2n1CCSc1ncc(-c2ccc(F)cc2)o1 48299192 QXXTYKANHVCAKL-UHFFFAOYSA-N 356.378 4.181 0 40 FIAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)CCc2ccco2)C1 48343379 WESOEMVVYREPPO-HDICACEKSA-N 354.494 4.007 0 40 FIAB CCCOc1ccc([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cc1OC 48503877 AZTQTKZMXKZLES-OAHLLOKOSA-N 366.461 4.385 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)c3oc4c(Cl)cccc4c3C)C2)n1 54660670 VPALOKSRDWIEKV-GFCCVEGCSA-N 359.813 4.106 0 40 FIAB Cc1ccc(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)cn1 58312147 CPYIMSBSUYCZOM-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB CC[C@](C)(CCCNC(=O)Nc1ccc(C(F)(F)F)cc1)C1OCCO1 72306195 LOGFXDCXWJGRQO-QGZVFWFLSA-N 374.403 4.396 0 40 FIAB COc1cc(C)c(CN2CCC([C@@H]3CCCCN(C)C3=O)CC2)c(C)c1C 72372023 NIXFRSWNPYOUKK-FQEVSTJZSA-N 372.553 4.091 0 40 FIAB c1ccc(CCN2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 72377560 JBASBVOVBWOYIY-LJQANCHMSA-N 359.477 4.037 0 40 FIAB O=C(NCC[C@@H](O)c1cccs1)C1c2ccccc2Oc2ccccc21 77114260 NNTWNQJINILQPZ-MRXNPFEDSA-N 365.454 4.226 0 40 FIAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H]1CCC(C)(C)c2ccccc21 78848997 WTRNOIODTXUYNI-YJYMSZOUSA-N 355.482 4.334 0 40 FIAB O=C(Nc1ccc2nc(C3CC3)[nH]c2c1)c1ccccc1Br 79483367 SGSQYIIFYHKVGW-UHFFFAOYSA-N 356.223 4.455 0 40 FIAB CC(C)(C)Sc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 95468902 ASZODZVVDDLMBU-OAHLLOKOSA-N 359.499 4.454 0 40 FIAB Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1)NC(=O)CCS3)CCC2 95957449 FNEJZIZXOQKCME-UHFFFAOYSA-N 352.459 4.022 0 40 FIAB Cc1ccc(C(=O)N2CC[C@@H](OCC3CC3)[C@@H](Cc3ccccc3)C2)o1 96110296 BGERNDORNXQVDU-VQTJNVASSA-N 353.462 4.088 0 40 FIAB CC(=O)N1CCC[C@]2(CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)C2)C1 96157127 YIXNCMZQTCSWOJ-QGZVFWFLSA-N 374.834 4.193 0 40 FIAB Oc1nc(/C(Cl)=C\c2cc(Cl)c3c(c2)OCO3)nc2ccccc12 97996065 GAOCSAZLTAFMNS-WUXMJOGZSA-N 361.184 4.454 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccccc2F)CC1 120416288 MELWITUJASSLQI-UHFFFAOYSA-N 360.860 4.069 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 219041377 VZZPEJNYVPDHBH-HNNXBMFYSA-N 363.413 4.423 0 40 FIAB Cc1cc(Br)cc(C)c1NC(=S)NCCCOC(C)C 225193277 IUYXHOCIBZNPNL-UHFFFAOYSA-N 359.333 4.167 0 40 FIAB CC(C)CSc1nnc(NC(=O)COc2ccccc2C(C)C)s1 225328647 IVNSJWVXMJRWQG-UHFFFAOYSA-N 365.524 4.427 0 40 FIAB COc1ccc(CCNC(=O)CCc2c(Cl)cccc2Cl)cc1 225346654 KRYBFFSLGHVHMQ-UHFFFAOYSA-N 352.261 4.294 0 40 FIAB O=S(=O)(O)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c3cccc1c23 226249282 UGUXWBGCUSPRSX-UHFFFAOYSA-N 358.806 4.283 0 40 FIAB CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(Cl)ccc21 408713279 RGMSHALOHCOLDO-UHFFFAOYSA-N 358.869 4.295 0 40 FIAB CC(C)NC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408980420 WLHCHQUPMJFVPN-UHFFFAOYSA-N 360.421 4.150 0 40 FIAB NC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCCC2)ccc1F 527894365 GXFPHLLYJIFGIO-UHFFFAOYSA-N 354.425 4.155 0 40 FIAB Cn1c(O)nc2ccc(NC(=O)[C@H]3CC[C@@H]3c3ccc(Cl)cc3F)cc21 563863704 HNHZSBUOHMPFAH-OCCSQVGLSA-N 373.815 4.204 0 40 FIAB O=C(NCc1cncc(-c2ccco2)c1)c1nc(-c2cccs2)cs1 575617425 AADUPUNOQPEDGZ-UHFFFAOYSA-N 367.455 4.457 0 40 FIAB CC1(C)C[C@@H](NC(=O)N2CCOC[C@@H]2c2ccccc2)c2ccccc2O1 675544074 PWDBDUNHAAJIMA-RTBURBONSA-N 366.461 4.072 0 40 FIAB O=C(NCc1ccc(Cl)cc1)N[C@H](c1cccs1)C1CCOCC1 1565522980 DLEDOPRCECXQRY-KRWDZBQOSA-N 364.898 4.369 0 40 FIAB O=C(NCc1cnc(O)c2ccccc12)c1c[nH]cc1-c1ccc(F)cc1 1596470295 OTRHENPERUBMFG-UHFFFAOYSA-N 361.376 4.005 0 40 FIAB O=C(CSCc1ccccc1)NC[C@@H](O)c1ccc(-c2cccs2)o1 1888979427 IWJOOXVWRYGJAS-OAHLLOKOSA-N 373.499 4.091 0 40 FIAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 710083 UOEDITWOFAYXSJ-QGZVFWFLSA-N 361.214 4.286 0 40 FIAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCCO1 887363 UOPWDURTXUFKDD-LBPRGKRZSA-N 357.262 4.158 0 40 FIAB O=C(c1ccc(F)cc1)C1CCN(C(=S)NCC[C@@H]2C=CCCC2)CC1 1337064 SLPOMSAGZBEGRO-MRXNPFEDSA-N 374.525 4.341 0 40 FIAB CC(=O)N(CCc1cccc(C)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1366603 VSXMKRIIWLCWIA-UHFFFAOYSA-N 362.473 4.045 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2)N3)C1 2295091 YGDOCPYWPSUIRU-SJCJKPOMSA-N 356.491 4.459 0 40 FIAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cccc2ccccc12 2296778 AVAGYKWACVLPKN-ZXYASIKESA-N 354.453 4.477 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)o1 2741511 KPEJNVGBTSRYLM-UHFFFAOYSA-N 371.396 4.154 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3cccc(Br)c3)sc2C1 3107648 YHBKXEIPHKCAAQ-SECBINFHSA-N 351.269 4.283 0 40 FIAB CCCCNC(=S)Nc1ccc(C)c(NC(=S)NCCCC)c1 3231681 ATEDRNWJHHWBLI-UHFFFAOYSA-N 352.573 4.168 0 40 FIAB CN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnc2)c1 3250175 VZJFGHRSQJBHLL-UHFFFAOYSA-N 374.366 4.209 0 40 FIAB Clc1cccc(CSc2ccc3nnc(-c4ccccn4)n3n2)c1 4327303 HKXNWNDGKALPPD-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2ccccc2)C1 5024802 RMTURHIUZLMVJG-OAQYLSRUSA-N 372.424 4.463 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 5151173 WVABFNXIPMDRAJ-URVUXULASA-N 371.427 4.473 0 40 FIAB Cc1cccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c1C 5270584 LRSQFBGNJJLQQI-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(/C=C/c1ccco1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 6012172 IYJZIJFMCXWPRO-SJFMBGHLSA-N 365.360 4.355 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1Br 6377385 OSXMUFGGDWRINL-NSHDSACASA-N 352.203 4.303 0 40 FIAB Cc1cccc(CSc2nnc(SCc3cccc(C)c3)n2N)c1 6609152 XAKBNCNZYHLRRD-UHFFFAOYSA-N 356.520 4.193 0 40 FIAB CN1C[C@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CC1=O 6664625 LKEUKUWCGMQLEC-GFCCVEGCSA-N 374.271 4.337 0 40 FIAB CCc1cc2c(=O)c(-c3ccccc3F)c(C)oc2cc1CC(=O)OC 6708711 NXLTXMWXMDYXOA-UHFFFAOYSA-N 354.377 4.185 0 40 FIAB Cc1ccc(Cl)c(OCC(=O)NCc2cccc(C(F)(F)F)c2)c1 6879754 MFAJXQQOWLXLLX-UHFFFAOYSA-N 357.759 4.362 0 40 FIAB Cn1c(Cl)cnc1COC(=O)c1ccc(OCc2ccccc2)cc1 6935654 DTFMDHWOBZQOTJ-UHFFFAOYSA-N 356.809 4.010 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(=O)n(Cc2ccccc2)c1 7573742 RVAYMSGSWVHPEF-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 7928169 BIHABWNLJVLMKA-MRXNPFEDSA-N 370.880 4.456 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1cc(Cl)c2c(c1)OCCCO2 7986980 TZBGIYFFCKKAQV-UHFFFAOYSA-N 364.854 4.089 0 40 FIAB CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2C1 8313840 BZFUIHGJNPUYDQ-ZDUSSCGKSA-N 374.481 4.113 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)CCCSc1nc2ccccc2[nH]1 8405354 YYKRXIFCLNZTKA-AWEZNQCLSA-N 369.490 4.321 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 8499070 YCWVOHZLCHQJNG-OAHLLOKOSA-N 365.788 4.062 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3ccc(C(=O)O)cc3)o2)cc1 8731661 RRJZXHBQWDLDFS-UHFFFAOYSA-N 370.430 4.304 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)cc3)cc21 8959667 KPEHTHIJCNUNDT-UHFFFAOYSA-N 370.424 4.240 0 40 FIAB CCNc1c(NC(=O)Nc2cc(C)cc(C)c2)c(=O)oc2ccccc12 9607311 FHWTXPVAMMQRAH-UHFFFAOYSA-N 351.406 4.486 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 9709589 YOPKDHDFQHDOPR-UHFFFAOYSA-N 361.449 4.225 0 40 FIAB COc1cc(NC(=O)CSCc2ccc(F)cc2)c(OC)cc1Cl 10950068 MXTKOYGRRMESIA-UHFFFAOYSA-N 369.845 4.368 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Cl)c3)ccc21 10972273 KXQSTLCHPFXNLW-UHFFFAOYSA-N 372.852 4.364 0 40 FIAB Clc1cc(CSC2=N[C@H]3CCCC[C@@H]3N2)cc2c1OCCCO2 11171229 FOUHDBFLDFIKGS-KBPBESRZSA-N 352.887 4.005 0 40 FIAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1cccs1 12232643 UUYWKWROLFLHFJ-CMDGGOBGSA-N 354.456 4.227 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 13123807 WMZGGPQGBNBMDT-STQMWFEESA-N 370.478 4.100 0 40 FIAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(OC)cc1 14654455 DZUZGGGFNCRVJO-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB O=C1[C@H](c2ccsc2)N(c2ccccc2)C(=O)CN1c1ccccc1F 15412246 ZYVKHHSEPNUNHC-IBGZPJMESA-N 366.417 4.008 0 40 FIAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12 15840697 OSIRMOHTFNCZIP-UHFFFAOYSA-N 350.418 4.384 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1csc(-c2ccc(Cl)cc2)n1 17304783 RWFDAJRCOODGOT-UHFFFAOYSA-N 372.833 4.487 0 40 FIAB CCOc1ccc(N2CCn3c(SCc4ccccc4)nnc32)cc1 17307796 XNDUPFOTHYUNCS-UHFFFAOYSA-N 352.463 4.121 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2CCc2ccccc2)n1 19572881 TVXSSYGRWCOLIU-CTNGQTDRSA-N 353.510 4.465 0 40 FIAB O=C(O)Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 20144920 DARCRFOMLCIIHC-UHFFFAOYSA-N 367.445 4.379 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(Br)c1 20890841 INOHQJVWHQUQGB-UHFFFAOYSA-N 372.222 4.070 0 40 FIAB CCN1CCc2c(sc(NC(C)=O)c2-c2nc3ccccc3s2)C1 23153855 OOLMJPFYFPXOCB-UHFFFAOYSA-N 357.504 4.361 0 40 FIAB Cc1cc(NC(=O)CSCc2ccccc2)n(-c2ccccc2C)n1 23375102 ZQDJKUAGGPSXKR-UHFFFAOYSA-N 351.475 4.361 0 40 FIAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1csc2c1CCCC2 23737805 DRERWJMXNKMJRC-IBGZPJMESA-N 354.519 4.194 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 23874186 CVWDLIKFXZRSMD-UHFFFAOYSA-N 368.433 4.085 0 40 FIAB O=C(CN1CCCCCC1=O)Nc1ccccc1Oc1ccccc1Cl 24401235 KDEGXKGPJICGKG-UHFFFAOYSA-N 372.852 4.473 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(C(=O)c2ccco2)C1 24746284 IPDWDWMOJHFLOY-NSHDSACASA-N 367.232 4.077 0 40 FIAB CC(C)c1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c2ccccc2n1 25813483 NSOYXZVTAGRAMP-FQEVSTJZSA-N 367.518 4.452 0 40 FIAB CCCCOc1ccc(C(=O)[C@H](c2ccccc2)N2CCOCC2)cc1 26532578 FULZWZOFHZARCQ-NRFANRHFSA-N 353.462 4.122 0 40 FIAB CCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccc(Cl)s1 26854457 YHNAFRNAXYWPMC-UHFFFAOYSA-N 355.891 4.148 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3OC)no2)cc1 27583248 JCZUWUUAGSHRNV-UHFFFAOYSA-N 368.389 4.010 0 40 FIAB Cc1ccsc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1 27698544 JARJXJRHFVHWLW-YQQQUEKLSA-N 354.519 4.024 0 40 FIAB O=C(NCCCN1CCc2ccccc2C1)c1cc(Cl)ccc1Cl 29838870 OWTBHMYKILLHCG-UHFFFAOYSA-N 363.288 4.172 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(c2cccc(C)c2C)CC1 30850987 ZEKGKDKNYZKLEB-OAQYLSRUSA-N 366.505 4.118 0 40 FIAB Cc1noc(-c2ccc(C(=O)N(C)Cc3ccc([C@H]4C[C@@H]4C)o3)cc2)n1 32970337 QQKZIEMWGYTMOQ-SJCJKPOMSA-N 351.406 4.034 0 40 FIAB CC(=O)N1CCC(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)CC1 32983174 XRNRRBSGKXSFNX-UHFFFAOYSA-N 362.429 4.297 0 40 FIAB COc1ccc(NC(=O)c2c(F)cccc2F)cc1OCc1cccnc1 40090348 VSYTWRFLELRXGE-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB Cc1cccc2c1ccn2CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 40309458 BBCRBAQANUGADN-UHFFFAOYSA-N 365.864 4.443 0 40 FIAB biogenic COCCOCc1cccc(NC(=O)N(C)Cc2ccc(Cl)cc2)c1 47590218 FPONAJNVNUYURS-UHFFFAOYSA-N 362.857 4.167 0 40 FIAB O=C(CCc1ccc(F)cc1)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 58061830 BVQJJTXFMDUNNN-GOSISDBHSA-N 353.397 4.125 0 40 FIAB CC(C)c1nc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cs1 58377350 KKBIMPDCBXSEFD-CXAGYDPISA-N 357.479 4.012 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 59488475 LLHQINGLPWEWED-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB CC(C)CN1CCC(NC(=O)[C@H](C)Sc2ccccc2Cl)CC1 65493034 DVQKZXKGFRGZPS-AWEZNQCLSA-N 354.947 4.057 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCCCCC2)[C@H](c2cnn(C)c2)S1 71287425 BWALXWLVLZSJIQ-INIZCTEOSA-N 359.499 4.494 0 40 FIAB CCCCNc1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213608 MPSULXZKPIQHLG-LJQANCHMSA-N 373.522 4.128 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1N1CCCC1 72215978 FSCKMFCDTGHPFP-IBGZPJMESA-N 351.450 4.156 0 40 FIAB C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCCCC1)[C@H]1CCCO1 72271652 WEZKUOMREPTIOA-WMLDXEAASA-N 350.890 4.366 0 40 FIAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3cccnc3)n2)cc1 72357903 HAJKTGNDJWSCQA-HSZRJFAPSA-N 371.484 4.282 0 40 FIAB Cc1noc2nc([C@H]3CCCN(Cc4ccncc4)C3)cc(C(F)F)c12 72390186 DHZADJLRYYOJKO-AWEZNQCLSA-N 358.392 4.243 0 40 FIAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CCCCCCC1 84572717 XWLQKHHLIRIXLD-UHFFFAOYSA-N 366.509 4.273 0 40 FIAB O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc2c(F)c(F)ccc2[nH]1 95465916 OPGXBDYPNWZRSF-UHFFFAOYSA-N 357.335 4.039 0 40 FIAB C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106071769 QBLHKHKWMUHZOG-LLDVTBCESA-N 367.449 4.478 0 40 FIAB C[C@H](c1nc2ccccc2o1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 180966695 DKCNABNCFACOBG-CVEARBPZSA-N 365.481 4.086 0 40 FIAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 195529347 PQEFVWPSUOALNZ-AQOAWAETSA-N 371.525 4.295 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCc2ccccc21 219064014 QSTROHKVZUSBFM-INIZCTEOSA-N 372.896 4.066 0 40 FIAB CN(CCNC(=O)CCCSc1ccc(Cl)cc1)c1ccccc1 222692289 SNQGIFFTQIDTBU-UHFFFAOYSA-N 362.926 4.465 0 40 FIAB O=C(COc1cccc2c1CCCC2)Nc1ccc(Br)cc1 222935829 HHSMQILCJPMKAM-UHFFFAOYSA-N 360.251 4.345 0 40 FIAB O=C(Nc1c(Cl)cccc1Cl)c1cn2c3c(cccc3c1=O)CC2 223092436 BHDHEZACBKMFHI-UHFFFAOYSA-N 359.212 4.117 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)[nH]1 223371735 NYTVJLFFJMCZRZ-WOJBJXKFSA-N 362.502 4.199 0 40 FIAB COc1cc2c(cc1S(=O)(=O)N[C@@H](C)c1ccc(C)c(C)c1)CCCC2 223654812 CODJXEBTRGFWBI-INIZCTEOSA-N 373.518 4.230 0 40 FIAB CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)sc(=O)n2C 225057564 KZAAMSUCDGTIQV-UHFFFAOYSA-N 358.488 4.353 0 40 FIAB COc1ccc(Nc2ncncc2-c2nc(-c3cccs3)no2)c(C)c1 225578951 PMCGRXCBBXVMRF-UHFFFAOYSA-N 365.418 4.316 0 40 FIAB COc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1OC 225931667 GWWOCPDGVYXHJI-UHFFFAOYSA-N 373.452 4.379 0 40 FIAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C(C)C)CC1 257227186 FOBAJUMNHITPAC-SHTZXODSSA-N 372.534 4.307 0 40 FIAB CCOP(=O)(OCC)C(F)(F)[C@H](O)c1cccc(Br)c1 306145408 DRXOIPPWRYBLNN-LLVKDONJSA-N 373.130 4.341 0 40 FIAB Cc1nc([C@H]2CCCN2C(=O)Nc2cccnc2-c2csc(C)c2)no1 333742899 RQRMAELNZNDAEZ-OAHLLOKOSA-N 369.450 4.179 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2C)cc1 408614966 KFWQVXNBHAYDRH-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB CSCC(C)(C)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 503484124 UBOFMNXOMQIAMI-UHFFFAOYSA-N 359.373 4.083 0 40 FIAB COc1cccc(C(=O)N2CCC(C)=C(c3ccco3)C2)c1OC(F)F 512752786 RKWFPONGEUXUJE-UHFFFAOYSA-N 363.360 4.209 0 40 FIAB O=C(c1cccc(F)c1F)N1CC(Cc2cccc(C(F)(F)F)c2)C1 646672229 FNMCCKGUVCAXJF-UHFFFAOYSA-N 355.306 4.298 0 40 FIAB Cc1nc([C@@H](C)NC(=O)N2CCCn3c(cc4ccccc43)C2)cs1 672844548 SEQXVIVGAKZZRJ-CYBMUJFWSA-N 354.479 4.083 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)C[C@@H](C)c3c(C)n[nH]c3C)cc2)nn1 677898300 ZLXDSFRWLSKTMB-GFCCVEGCSA-N 365.437 4.050 0 40 FIAB CNc1ccc(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)c(Cl)c1 1137008567 BUNZJJSXTFFXPV-CYBMUJFWSA-N 354.841 4.058 0 40 FIAB c1ccc2oc(N3CCC(CNc4nc5cnccc5s4)CC3)nc2c1 1775971652 SDZKAZOFOAQCDY-UHFFFAOYSA-N 365.462 4.161 0 40 FIAB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2CC)cc1 885359 DGWKTRPSHKEZHR-UHFFFAOYSA-N 355.463 4.186 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cc(C)c(Cl)cc2OC)c(OC)c1 936318 BGDOMFSPWSHCKT-SOFGYWHQSA-N 361.825 4.326 0 40 FIAB COc1cccc(-c2nnc(SCc3cc(C(=O)O)ccc3C)o2)c1 1067256 ZPFMNKFLNBVUJL-UHFFFAOYSA-N 356.403 4.044 0 40 FIAB COc1ccccc1NC(=S)NC(=O)/C=C/c1cccc2ccccc12 2137212 RZYQFLRUSRMLLO-BUHFOSPRSA-N 362.454 4.375 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)cc1F 3182298 PUQPIMJQPKQDPM-UHFFFAOYSA-N 355.232 4.176 0 40 FIAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 3338005 RMEUIKJIPUXZGU-GOSISDBHSA-N 363.244 4.269 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NC[C@@H]4COc5ccccc5O4)c23)C1 3342403 XQOXACURCVNSFE-QWHCGFSZSA-N 367.474 4.068 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCCCC2)cc1 3895767 LIOPFCZYXTYITA-LJQANCHMSA-N 360.498 4.135 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](c1ccco1)N1CCCC1 5704795 BMBUWTVEMVCOAM-MRXNPFEDSA-N 367.276 4.082 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(I)c2)c1 6278494 PGXGWVFJPUHUIT-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C(C)C)cc1 6427612 HRAKHOQJSMHXNQ-UHFFFAOYSA-N 361.825 4.268 0 40 FIAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc2ccccc2s1 6507256 FZQLOQBYJDTCRS-UHFFFAOYSA-N 373.865 4.098 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 6602041 RUVSPBBFJHGLBN-INIZCTEOSA-N 359.491 4.311 0 40 FIAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CC[C@@H]2OC(C)=O 6614820 QNJIISBPAUAVAF-FCHUYYIVSA-N 352.430 4.374 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 6632571 SFWMNXYOUWAIHG-UHFFFAOYSA-N 367.518 4.358 0 40 FIAB Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(F)c(Cl)c1 7006544 XQOIOIWMOMMJFV-UHFFFAOYSA-N 355.760 4.085 0 40 FIAB Cc1nc(SCC(=O)N2CCc3ccccc32)n(C2CCCC2)c1C 7139966 AOPVLZOIKFPVNY-UHFFFAOYSA-N 355.507 4.296 0 40 FIAB CN(C)C(=O)[C@H](OC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1 7795847 ODMYMIHCQXVHET-LJQANCHMSA-N 367.376 4.072 0 40 FIAB CCCCc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1 7842617 QNMCOQZKUCTNPL-UHFFFAOYSA-N 358.869 4.441 0 40 FIAB O=C(CSc1nc2ccccc2n1-c1ccccc1)N1CCCCC1 8311228 JINJNTCTJUYOBU-UHFFFAOYSA-N 351.475 4.130 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC)cc1 8518198 JGRIUVDWWIRNSQ-INIZCTEOSA-N 373.396 4.144 0 40 FIAB COc1ccc(-n2nc3ccc(NC(=O)C(C)(C)C)cc3n2)cc1Cl 9141386 FYLLNDSCBNMMTN-UHFFFAOYSA-N 358.829 4.067 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2cnc3ccccc3n2)cc1 9581895 BTURQINGRSTCEZ-OAQYLSRUSA-N 361.445 4.396 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9872120 ZFSYJGYHSNVKOY-MRXNPFEDSA-N 358.825 4.480 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 10365077 APXYFCDOQPYQSD-UHFFFAOYSA-N 352.478 4.206 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(C)c1 11678488 GQCWCKZLMMHUJM-UHFFFAOYSA-N 366.461 4.065 0 40 FIAB Cc1nc([C@H](Cc2ccsc2)NC(=O)c2c(C)noc2C)sc1C 12228034 SEXCWLUSRDWUOR-AWEZNQCLSA-N 361.492 4.140 0 40 FIAB S=C1NCN(Cc2ccccc2Cl)CN1c1ccc(Cl)cc1 12375492 IUFUOWSMMLJXTB-UHFFFAOYSA-N 352.290 4.105 0 40 FIAB CSCC[C@@H](NC(=O)Cc1ccccc1C)c1nc2ccccc2[nH]1 12535903 PUFPBMSHICLJEH-GOSISDBHSA-N 353.491 4.024 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(Cl)c(N)c1 12653755 VNQLIMPBSFXHNV-MRRJBJDNSA-N 367.873 4.083 0 40 FIAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)Cc1ccccc1-2 12809406 QIXRNBISEOEZCM-OAQYLSRUSA-N 355.393 4.498 0 40 FIAB O=C(NCCCC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccc(Cl)cc1 14598396 POOWFMLGEFDRIL-QAPCUYQASA-N 362.901 4.031 0 40 FIAB COc1cccc(C(=O)Nc2ccc(C)cc2Br)c1OC 15316154 RYFRQHZYRPFART-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB CCCCOc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCC1 15831668 MUWCSDCRXKYUSP-GOSISDBHSA-N 356.466 4.025 0 40 FIAB CCCCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 21788849 MMCJFFSKPSYLCJ-UHFFFAOYSA-N 363.339 4.372 0 40 FIAB COc1c(Cl)cc(C(=O)NCCCN(C)c2ccccc2)cc1Cl 21905079 HAGGGFURMQEDCT-UHFFFAOYSA-N 367.276 4.258 0 40 FIAB O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1cccc(Cl)c1 22464817 PJOSMUWSKMSJEO-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN1CCc2ccccc21 22518956 UGUGLKJRSWBUKV-GOSISDBHSA-N 366.505 4.146 0 40 FIAB Cc1ccc(CN(C)Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 23866402 MTOLWWFECOJDOT-UHFFFAOYSA-N 365.458 4.185 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C(F)(F)F 27974232 DBVNXKOMXMQVMU-NSHDSACASA-N 357.759 4.443 0 40 FIAB Cc1occc1C(=O)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 28574338 LVZVQAPRVFADQN-UHFFFAOYSA-N 350.205 4.392 0 40 FIAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cc1 32817157 QYTNQMSZTDKIQB-UHFFFAOYSA-N 363.866 4.309 0 40 FIAB CCOC(=O)c1sc(NC(=O)Nc2ccccc2C(F)(F)F)nc1C 36709318 UOKSPOJEARHRFM-UHFFFAOYSA-N 373.356 4.291 0 40 FIAB Cc1cc(=O)oc2cc(OC(=O)[C@H](C)Oc3ccccc3Cl)ccc12 40069526 KIHPDEZONZKDRK-LBPRGKRZSA-N 358.777 4.128 0 40 FIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cn3cc(Cl)ccc3n2)o1 43507074 NRHZGOGTBCETOO-NPRQMZODSA-N 355.825 4.034 0 40 FIAB CCN(C(=O)Nc1cc(NC(C)=O)ccc1OC)[C@H](C)c1ccc(F)cc1 47389103 SVCRLOCBCNHLNF-CYBMUJFWSA-N 373.428 4.408 0 40 FIAB O=C1CCCN1C[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1 47794507 CEAYZPDCXTYFGP-QGZVFWFLSA-N 363.288 4.447 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 59227412 AWZADOVGFXCGFM-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB O=C(OCc1ccn(-c2ccccc2)n1)c1[nH]c2ccccc2c1Cl 63545586 HYRBLCTYIUJNKP-UHFFFAOYSA-N 351.793 4.364 0 40 FIAB O=C(NC1(c2ccc(Br)cc2)CC1)c1cc(-c2ccco2)on1 64381523 IPHGYMUGXHSFSK-UHFFFAOYSA-N 373.206 4.116 0 40 FIAB CCCCN(CC)C(=O)CSc1ncnc2c1[nH]c1ccc(C)cc12 72331952 BGPWHOUBZCAXNR-UHFFFAOYSA-N 356.495 4.160 0 40 FIAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccco3)N1CC2 72342180 XQUWBUQWLDBLNU-FCHUYYIVSA-N 362.429 4.369 0 40 FIAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C2CCCCC2)nc1C 72345511 DHXVACIHARUVIS-IBGZPJMESA-N 358.530 4.127 0 40 FIAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 72349135 MIHZSVBQFYWGAS-FQEVSTJZSA-N 357.457 4.472 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1ccc(Br)cc1 83264764 ZDVNTMLQGUKAAF-CQSZACIVSA-N 355.276 4.261 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1C 95067967 SVZNFLJPRFRMJA-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CC(C)(C)[C@@H]1C[C@H](NC(=O)[C@H](OC2CCCC2)c2ccccc2)CCO1 95449027 ZPYOIUQSVRMCCP-YZGWKJHDSA-N 359.510 4.397 0 40 FIAB Cc1ccc([C@@H]2CN(Cc3cc(C)ccc3-n3cccn3)C[C@H]2N(C)C)cc1 95516365 RIZVGSSPKRJNJU-LADGPHEKSA-N 374.532 4.019 0 40 FIAB Fc1ccc(-c2cnc3n2C[C@H](CNCc2ccccc2Cl)OC3)cc1 96112932 JWBMHUVHUGUTBI-KRWDZBQOSA-N 371.843 4.031 0 40 FIAB biogenic,in-vitro CC(C)N1c2sc(-c3ccsc3)nc2C[C@H]1C(=O)NC1CCCC1 96146750 NNAWIJKMCUDSKS-HNNXBMFYSA-N 361.536 4.070 0 40 FIAB O=C1C[C@H](c2ccc(OC(F)(F)F)cc2)c2c(ccc3nsnc23)O1 96231839 YXJLCICZJPJKAS-SNVBAGLBSA-N 366.320 4.031 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CC[C@@H](C)C2 100335268 GVIJXAGQFJBJRO-RGCMKSIDSA-N 361.507 4.424 0 40 FIAB Cc1cccc([C@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)c1 101070099 VOCIMWYNVAPIEV-QGZVFWFLSA-N 367.250 4.405 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 103059440 JQTHEVSJBRFWGI-RNIZTFPLSA-N 360.523 4.067 0 40 FIAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NC1C[C@@H](C)O[C@H](C)C1 108487959 OOKIRXUNBUFLDU-ZACQAIPSSA-N 353.462 4.193 0 40 FIAB CCc1ccc([C@H]2COCCN2C(=O)N[C@@H]2CCCc3sccc32)o1 136622864 SDEQKRFQRZHVFZ-HZPDHXFCSA-N 360.479 4.064 0 40 FIAB Nc1nnc(-c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)o1 216847486 DVNHAMUSCKNHPX-UHFFFAOYSA-N 354.168 4.344 0 40 FIAB CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 223141642 WMBKDVSNXRRICS-IBGZPJMESA-N 351.446 4.218 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1C 223621975 LQHNFWQFTJKLJJ-GOSISDBHSA-N 363.457 4.419 0 40 FIAB Cc1cccc(OCCNC(=O)c2ccccc2OCc2ccccc2)c1 224273971 KSIRZLDNJPHODT-UHFFFAOYSA-N 361.441 4.383 0 40 FIAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(F)cc1Cl 224283741 KPJDPBKSQOVHLZ-UHFFFAOYSA-N 361.735 4.453 0 40 FIAB CC(C)c1ccccc1OCC(=O)NCC1(c2ccccc2)CCOCC1 224586027 NPWYOPQFWKECBL-UHFFFAOYSA-N 367.489 4.053 0 40 FIAB CCN(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 224992330 RXDKXFBJDLQYJT-UHFFFAOYSA-N 360.885 4.140 0 40 FIAB O=C(NCc1ccc(-c2ccco2)nc1)c1ccccc1Br 225752494 ABDPCEBQBOHGFC-UHFFFAOYSA-N 357.207 4.034 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1Br 226273581 GMNLJRYYSLCELL-NSHDSACASA-N 364.239 4.153 0 40 FIAB Cc1cccnc1Nc1cncc(C2CCN(C[C@H]3CC=CCC3)CC2)n1 257259346 KXWKYRWMHLJMQX-SFHVURJKSA-N 363.509 4.459 0 40 FIAB O=C(CCC1CCCC1)N1CCCC[C@@H]1c1nnc(-c2ccncc2)o1 257322309 WFKYGQJHRDHBSX-QGZVFWFLSA-N 354.454 4.156 0 40 FIAB O=C1CC[C@H](C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n2cccc21 333339001 SIYOYBMZHNSRKN-UYAOXDASSA-N 361.445 4.241 0 40 FIAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc(F)c1 408825119 RLGUPMSHYFJJDG-YVLHZVERSA-N 373.405 4.079 0 40 FIAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@@]2(O)C(F)(F)F)o1 409101281 XRSFKXZHHGJOAY-NVGCLXPQSA-N 372.387 4.113 0 40 FIAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N2 409333148 CMQFBFBCDFWWHN-GYXYBCFCSA-N 363.413 4.410 0 40 FIAB COc1cccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)c1 515368201 JDJUMNLQVVWSMN-GFCCVEGCSA-N 355.825 4.230 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1cccs1)n1cccn1 575613504 IFQCCHDHBGXHFL-IBGZPJMESA-N 361.470 4.046 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3ccc(C)c(Cl)c3)co2)cc1 1544899868 JLYOVMIQXSBNDT-UHFFFAOYSA-N 370.836 4.285 0 40 FIAB Cc1cc(CN2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)on1 1888901348 YHAUEZUGEVKJQG-ZDUSSCGKSA-N 358.442 4.020 0 40 FIAB COc1cncc(CN2CCC[C@]23CN(c2ccc(F)cc2)C(C)(C)C3)c1 2037989032 SCTJKFWLNVJJSN-QFIPXVFZSA-N 369.484 4.253 0 40 FIAB O[C@@H](COC[C@@H]1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1 795277 YNYFYZRFYNNBDF-DNQXCXABSA-N 365.517 4.423 0 40 FIAB Cc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)OCO3 929996 JWTCUPWXARVOJM-UHFFFAOYSA-N 366.442 4.311 0 40 FIAB O=C(Cn1c(-c2cncs2)nc2ccccc21)Nc1ccc(F)cc1F 1444503 YKGRIFKEBAMVTB-UHFFFAOYSA-N 370.384 4.077 0 40 FIAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cc1)CC2=O 1448501 NHOOMFMCKXKJQI-IAGOWNOFSA-N 350.256 4.173 0 40 FIAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1459930 VDHBCCUCEVUPTG-KRWDZBQOSA-N 366.461 4.200 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)s1 2649730 WTJUBKNHUQMHRG-UHFFFAOYSA-N 357.403 4.167 0 40 FIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(F)c2)c1C 2723074 YJZCMLLXVHSJOB-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](Sc1nncs1)c1ccccc1 3389454 MHLWVSLPKOMEQV-INIZCTEOSA-N 371.487 4.409 0 40 FIAB CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2cc1O 4023791 FGPAIVNASPBDJJ-UHFFFAOYSA-N 352.386 4.116 0 40 FIAB biogenic Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1NC(=O)c2c(sc(C)c2C)N1 4501929 NSTAQZGQKDLZGW-MRXNPFEDSA-N 372.881 4.367 0 40 FIAB O=C(C1=NN[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1)c1ccccc1 5004962 QXKMCRAEMKBFGP-VQTJNVASSA-N 354.409 4.069 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1Br 5126740 DMCUMGPVLNYPOR-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC1=NN2C(=S)N(c3ccccc3)[C@@H](c3ccccc3F)N=C2S1 5261100 CGMDFRLSDCXBSB-HNNXBMFYSA-N 356.451 4.368 0 40 FIAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc(NCc3ccco3)ncc21 5478602 JHVQLWVNBVTRAZ-CYBMUJFWSA-N 353.809 4.248 0 40 FIAB CCC(=O)Oc1c(-c2ccc(OC)cc2)oc2ccc(Cl)cc2c1=O 5607518 XYJAXTHNOPKBPK-UHFFFAOYSA-N 358.777 4.437 0 40 FIAB COc1ccc([C@@H]2[C@H](C)C(=O)[C@H](C)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 5882853 KYFMXVBBZSFPFK-ILWKUFEGSA-N 368.433 4.325 0 40 FIAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1cccc2ccccc12 6238013 PURWBMCOSPXEOX-UHFFFAOYSA-N 366.471 4.417 0 40 FIAB Cc1ccc(SCCN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 7003423 PUPWUFMWBDFPBQ-YWZLYKJASA-N 360.523 4.224 0 40 FIAB Clc1cccc(-c2noc(CSc3ccc4c(c3)OCCO4)n2)c1 7146071 YUEXZGGQOOGXEO-UHFFFAOYSA-N 360.822 4.454 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cc(OC)ccc3OC)n2)cc1 7400616 MLIYUKQCJPGROF-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB COc1cc(COC(=O)c2cc(C)n(C3CC3)c2C)ccc1OC(F)F 7575755 IPXVXUMQIBEXRV-UHFFFAOYSA-N 365.376 4.407 0 40 FIAB O=C(O)c1ccc(-n2c(/C=C/c3ccsc3)nc3ccccc3c2=O)cc1 7784908 AWVOMUAUUXMCTF-BJMVGYQFSA-N 374.421 4.316 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)c(C)c1 7928056 ORSYJAVLNKRYDD-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1C1CCCC1 8720927 GXFQLMUVXZYGFO-OAQYLSRUSA-N 358.445 4.381 0 40 FIAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)C12CC3CC(CC(C3)C1)C2 9112931 RHIKQFSLQOSAQK-PGBBXINNSA-N 371.506 4.341 0 40 FIAB c1ccc(Cc2nn3c(Cc4ccccc4)nnc3c3ccccc23)cc1 9184202 AYCZHRJFKFEYCV-UHFFFAOYSA-N 350.425 4.459 0 40 FIAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)CC(C)C 9209939 DZTCBQXRXNDNKO-UHFFFAOYSA-N 364.445 4.116 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC2CCCCCC2)c1 9604186 GUSKUFGMFFTMQK-UHFFFAOYSA-N 358.511 4.145 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)cc1C 9668469 PHICNFZLONDSQX-UHFFFAOYSA-N 367.474 4.419 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F 9950460 VXHIHTRRFONTCQ-UHFFFAOYSA-N 365.685 4.225 0 40 FIAB COc1ccc(NC(=O)Cc2csc(COc3ccc(F)cc3)n2)cc1 10366442 UNOYFDDJNDOPLC-UHFFFAOYSA-N 372.421 4.051 0 40 FIAB Cc1ccc(OCC(=O)NCc2cccc(Cl)c2)c2c1[C@H](C)CC2=O 11052668 WACVKBOOSVHRAX-CYBMUJFWSA-N 357.837 4.034 0 40 FIAB Cc1oc(-c2ccccc2)nc1CSc1nnc(C(F)(F)F)n1C 12475662 HVKYLKPBQPODIX-UHFFFAOYSA-N 354.357 4.090 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc3sc4ccccc4n23)c1 12543762 RUBYMPXVNLYHRS-LBPRGKRZSA-N 368.487 4.372 0 40 FIAB Cc1oc2ccccc2c1CN1CCC(n2c(=O)oc3ccccc32)CC1 12737669 XSZPDQUOTBCYRG-UHFFFAOYSA-N 362.429 4.486 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)o1 12796101 KYUQLKMFULMQMD-FMVNMVDZSA-N 363.483 4.060 0 40 FIAB Cc1cc(C)c(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c(Cl)c1 12981932 AFSNGAFAGGQZRP-AWEZNQCLSA-N 372.852 4.100 0 40 FIAB Cc1cccnc1N/C=C1/C(=O)N(c2ccccc2F)C(=O)c2ccccc21 13221918 LZALDKVMXNMWKS-GHRIWEEISA-N 373.387 4.169 0 40 FIAB C[C@H]1C(=O)Nc2ccc(-c3csc(NC(=O)[C@H]4CC=CCC4)n3)cc21 14077072 XVHOPZDLXDGZNC-NEPJUHHUSA-N 353.447 4.161 0 40 FIAB O[C@H](COc1ccccc1)Cn1c(COc2ccccc2)nc2ccccc21 14287686 OLJPDTRCIVWVPZ-SFHVURJKSA-N 374.440 4.055 0 40 FIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1oc2ccccc2c1C 14574129 RPNFCFNQYHOSNH-UHFFFAOYSA-N 365.389 4.437 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)NCCc1cnn(-c2ccccc2)c1 14847501 AYTRRPQGZDSXSC-UHFFFAOYSA-N 372.472 4.035 0 40 FIAB Cc1ccsc1CN(C)Cc1cc2c(cc1Br)OCCO2 15311946 FCCZCMUHOCGUQE-UHFFFAOYSA-N 368.296 4.222 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 15330368 CWXWIPGHINTMGD-OAQYLSRUSA-N 351.471 4.204 0 40 FIAB CC(C)(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 19082884 CDWIXVZNMHICBB-UHFFFAOYSA-N 352.478 4.003 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 24867721 WIFSAALDFIKWSV-INIZCTEOSA-N 360.244 4.246 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccccc1 25322842 ZQNQGKPJCMPFLC-NRFANRHFSA-N 350.462 4.331 0 40 FIAB CCOc1cccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)c1 27988725 PSZQPTYKOXRSLP-UHFFFAOYSA-N 366.486 4.490 0 40 FIAB CC(C)[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 28508124 UDDVHLATXGZWII-LJQANCHMSA-N 352.478 4.210 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 30853057 GBGGRUQMFBVVGZ-UHFFFAOYSA-N 351.855 4.396 0 40 FIAB CCCc1ccccc1NS(=O)(=O)c1ccccc1Br 32098426 JTEGXNGNKHKCFV-UHFFFAOYSA-N 354.269 4.202 0 40 FIAB C[C@H](O)c1ccc(-c2ccc(CN[C@H](C)[C@H](O)c3ccccc3)o2)cc1 35539959 VYSXKPWWGYKNEV-VVBPWWLESA-N 351.446 4.212 0 40 FIAB CC[C@H](C)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182075 KNODYBUIYYQPPP-AWEZNQCLSA-N 351.475 4.329 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1cccc(-n2cc[nH]c2=S)c1 40087141 BAAGNFLTIAWRGS-UHFFFAOYSA-N 359.838 4.206 0 40 FIAB CSc1ccc([C@H](C)NC(=O)c2ccc(N3CCC(C)=N3)cc2)cc1 40133760 HRLPNMUCBPGCHN-HNNXBMFYSA-N 353.491 4.486 0 40 FIAB O=C(Nc1cccc(N2CCCC2)c1)[C@@H]1COc2ccc(Cl)cc2C1 40146369 BHRPXWJAHBTQQO-HNNXBMFYSA-N 356.853 4.130 0 40 FIAB O=C(c1cc(NCCC2=CCCCC2)nc2ccccc12)N1CCOCC1 57680744 UEJFMRHQBBMSLX-UHFFFAOYSA-N 365.477 4.010 0 40 FIAB Cc1cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)nc(C(C)C)n1 58008821 FQMRBUWZZKWWRP-UHFFFAOYSA-N 369.396 4.472 0 40 FIAB O=C(CCCC(=O)N1CCc2[nH]c3ccccc3c2C1)c1ccc(F)cc1 58345076 DCKNDGGETDEGGP-UHFFFAOYSA-N 364.420 4.245 0 40 FIAB C[C@H]1CN(C(=O)c2cc3ccccc3n2Cc2ccccc2F)C[C@H](C)O1 58358070 NJZFSINFUHZIAU-HOTGVXAUSA-N 366.436 4.078 0 40 FIAB Cc1ccc(F)c(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 65503709 SBHJVZUXSMDOBR-JTQLQIEISA-N 362.455 4.316 0 40 FIAB Cc1c(C(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)sc2ccccc12 69950948 LWPODIXUTTVVCY-HZPDHXFCSA-N 359.491 4.010 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)Nc3c(F)cccc3F)nc12 70655600 GBEWIZNKTALLCK-UHFFFAOYSA-N 365.361 4.236 0 40 FIAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC2)C12CCCCC2 71282552 HXDUNAHGYCHXAT-LJQANCHMSA-N 354.494 4.008 0 40 FIAB Cc1c(Cl)c(CN2CCC[C@H](c3ccnn3C)C2)nc2ccccc12 71808720 FNHVYVMBVJKBOF-HNNXBMFYSA-N 354.885 4.310 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)c1 72229553 WESMEXNPQPNFJL-UHFFFAOYSA-N 359.857 4.173 0 40 FIAB Cc1cc(C)c2c(CC(=O)Nc3ccncc3)c(Br)oc2c1 72242854 KJSYSUVLFGOCII-UHFFFAOYSA-N 359.223 4.388 0 40 FIAB O=C(C1CCCC1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358946 GTVJHEVYCGZASS-KRWDZBQOSA-N 353.441 4.179 0 40 FIAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1ccncc1Cl 73057085 BCKKSKFFCMQPGN-OAHLLOKOSA-N 352.768 4.144 0 40 FIAB COC(=O)c1ccc(-c2ccc(Br)cc2Br)o1 73638333 LNPARCVKYLZGPE-UHFFFAOYSA-N 360.001 4.258 0 40 FIAB CC(C)(C)c1cc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)[nH]n1 75106521 VRPWWFFYXYGBNP-QGZVFWFLSA-N 367.493 4.365 0 40 FIAB Cc1nc(-c2ncccn2)sc1C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C 84064828 HZFRVFIVICCOSW-KBPBESRZSA-N 355.463 4.058 0 40 FIAB Cc1cc(N(Cc2ccccc2)C[C@H]2CCCO2)nc(-c2ccccn2)n1 89600687 NIBGOQARKOVHLB-LJQANCHMSA-N 360.461 4.033 0 40 FIAB O=C1CCC(=O)N1C1CCC(N[C@@H]2CCCC[C@@H]2C2=CCCCC2)CC1 90854803 WUBLBBMREYEIKM-NTFDOXNWSA-N 358.526 4.095 0 40 FIAB N=C1NC(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)S1 98086620 JBROCZWRYRQYKF-MFOYZWKCSA-N 367.861 4.482 0 40 FIAB C[C@H](Sc1nnc2c(n1)[C@@H]1CC[C@]2(C)C1(C)C)C(=O)Nc1ccccc1 101025028 VJZFVMRQLJQOKM-SIFORAMQSA-N 368.506 4.166 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 216224766 YVEDIMCPONMQIM-OTWHNJEPSA-N 360.542 4.062 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 222897980 JBZANHJFJUXWDT-OALUTQOASA-N 354.523 4.381 0 40 FIAB COc1ccc(-c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)cc1 223140634 FLAGEEWHMYXMPV-UHFFFAOYSA-N 353.809 4.366 0 40 FIAB CCCc1ccc(OCCNC(=O)CSCc2ccc(C)cc2)cc1 223400185 UGFYNSUCSMOJCJ-UHFFFAOYSA-N 357.519 4.376 0 40 FIAB O=C(NCC1CCCCC1)C1CCN(Cc2c(F)cccc2Cl)CC1 224550517 IDSMILYPANQIHD-UHFFFAOYSA-N 366.908 4.388 0 40 FIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O 224590648 LPXDLHCZNSNVEV-IRXDYDNUSA-N 367.499 4.334 0 40 FIAB CCOc1cc(CNC(=O)C2(c3ccccc3)CCCC2)ccc1OC 225350336 QDQUBAVSPJUJHD-UHFFFAOYSA-N 353.462 4.222 0 40 FIAB Nc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(=O)NC2CC2)c1 225485118 IWBZDNTUSBDWDJ-UHFFFAOYSA-N 371.484 4.368 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)C 225650073 XLGIABRHNZPMPS-LBPRGKRZSA-N 359.297 4.035 0 40 FIAB CC(C)(C)c1ccc(-c2noc(CNC(=O)NC3CCCCC3)n2)cc1 225758608 LQLLYXHURAQMLV-UHFFFAOYSA-N 356.470 4.166 0 40 FIAB Cc1ccccc1CSCCNC(=O)COc1ccc2c(c1)CCCC2 225793509 AUWLPRCDWMOFOG-UHFFFAOYSA-N 369.530 4.302 0 40 FIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225796621 KZWSCPTZYAMSGC-VBKZILBWSA-N 365.470 4.184 0 40 FIAB CCOc1ccc2c(c1)OC1(CCN(Cc3ccccc3)CC1)CC2=O 225820442 BVNXJSUHXBKODC-UHFFFAOYSA-N 351.446 4.085 0 40 FIAB Cc1cccc(CN2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)c1 225859665 TZOOEOBFEZTIKG-UHFFFAOYSA-N 364.533 4.345 0 40 FIAB NNc1nc2c(Cl)cc(NC(=O)c3ccccc3Cl)cc2s1 226310153 KAVMHUVSQIWVKI-UHFFFAOYSA-N 353.234 4.141 0 40 FIAB CCOc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)c(N)c1 226359496 NFUXJUULISFNEM-UHFFFAOYSA-N 369.248 4.300 0 40 FIAB c1ccc(CN2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)nc1 306136796 QDMKYTATRORCBM-FQEVSTJZSA-N 355.445 4.128 0 40 FIAB O=C(Sc1nnc(-c2ccco2)o1)c1ccc(Br)cc1 408526216 BAYHWIYRSVMMMV-UHFFFAOYSA-N 351.181 4.025 0 40 FIAB Cc1cccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)c1 409165985 BVMOJLFBGQSGBV-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 409244803 IYTJXFUROFHMCR-LDADJPATSA-N 370.836 4.222 0 40 FIAB COCc1ccccc1/C=C(\C)CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 509966134 FDNHDIDFBBDNCR-NWNNTGRJSA-N 364.489 4.472 0 40 FIAB CC(C)Cn1ccc2c(C(=O)N[C@@H]3CCCc4nc(O)ccc43)cccc21 516387684 WEOMQZRTMDXRAY-LJQANCHMSA-N 363.461 4.205 0 40 FIAB O=C(Nc1cccc2cccnc12)c1cc(=O)c(OCc2ccccc2)co1 524735231 JHSWAHQELQZSCH-UHFFFAOYSA-N 372.380 4.019 0 40 FIAB CO[C@H](CNC(=O)CSCc1ccccc1)c1cc2ccccc2o1 575415699 SGWUWLDPMRMVNQ-LJQANCHMSA-N 355.459 4.170 0 40 FIAB Cc1ccc2c(C(=O)NC[C@@H]3CCN3Cc3ccccc3)csc2c1 1131290414 HXLGKYFEZRBEJW-KRWDZBQOSA-N 350.487 4.214 0 40 FIAB CCOc1ccccc1NC(=O)NC[C@H](O)c1ccc(-c2cccs2)o1 1775969654 FDNBCIUCCRZURI-AWEZNQCLSA-N 372.446 4.262 0 40 FIAB COc1ccccc1OCC(=O)NCCc1ccc(-c2cccs2)s1 1889278498 FWSCYCOVOHXXJX-UHFFFAOYSA-N 373.499 4.223 0 40 FIAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)cc1 786249 NFUAOEUDMCYISF-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)c1 850363 ATLSCMMJZQDSNL-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)o1 869052 UQFCYHNFKODXLV-CQSZACIVSA-N 353.447 4.473 0 40 FIAB CCOC(=O)COc1ccc(Cl)cc1-c1ccnn1-c1ccccc1 990117 WAMQILFYMUWSAZ-UHFFFAOYSA-N 356.809 4.135 0 40 FIAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)C)c(C)s1 1365785 DWCVGBULYOVYQU-UHFFFAOYSA-N 357.479 4.012 0 40 FIAB O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1cccc(F)c1 1383894 GCZGNDLALFKWBY-UHFFFAOYSA-N 363.436 4.088 0 40 FIAB Cc1ccc(NC(=O)c2nc(C)n(-c3cc(Cl)cc(Cl)c3)n2)cc1 1385726 IOZHAMBKAXTWKI-UHFFFAOYSA-N 361.232 4.443 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4ccc(O)cc4)nn12)CC[C@H](C)C3 2331623 KJSHFQVKLLKLCT-JTQLQIEISA-N 350.447 4.145 0 40 FIAB O=C(Cc1ccccc1Cl)c1ccccc1I 2392991 GDTCUGNZWREXME-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB Brc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2)cc1 2445258 ZFNYXNCBMAMTOX-HZPDHXFCSA-N 355.239 4.187 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(-c3ccccc3)cc2)c(O)c1 2634901 AUAPSCNBQQLZLF-UHFFFAOYSA-N 361.397 4.163 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CNc2cc(C)ccc2C)C1=O 3015125 AVBPOLLYOQHIBJ-WQRHYEAKSA-N 368.458 4.418 0 40 FIAB O=C(c1cccc(Br)c1)N(c1ccccn1)c1ccccn1 3169035 HNLVSTVZPSBUPW-UHFFFAOYSA-N 354.207 4.218 0 40 FIAB COc1ccc(OCc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 4511680 WGRLVEUKOCHPNN-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB Cc1csc(SCc2ccccc2C(=O)O[C@@H]2CCCCC2=O)n1 4798270 JYCCIWXFISHFFO-MRXNPFEDSA-N 361.488 4.412 0 40 FIAB O=c1[nH]c2ccc(NCc3cccc(OCc4ccc(F)cc4)c3)cc2[nH]1 4973823 DWSGILHBPHHTOJ-UHFFFAOYSA-N 363.392 4.186 0 40 FIAB CC(C)NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 5043381 WZUGWVMGPMYOQP-UHFFFAOYSA-N 373.400 4.152 0 40 FIAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC)c3ccccc23)cc1 5579094 NDCOXAJZFDRGEY-UHFFFAOYSA-N 371.458 4.438 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 6042700 OJSVRPMNHBWZND-IBGZPJMESA-N 355.434 4.440 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 6507431 RYMKOWCCDHGTTF-HXUWFJFHSA-N 364.376 4.346 0 40 FIAB CCN(C(=O)CSc1nnc(Cc2ccccc2)o1)C1=CCCCC1 6587629 IFFUZIKXSFZTGI-UHFFFAOYSA-N 357.479 4.059 0 40 FIAB O=C(Nc1ccc(F)cc1)c1nccnc1-c1nc2ccccc2s1 6719942 MSFLQQLWQSJEBC-UHFFFAOYSA-N 350.378 4.145 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cccc(Cl)c2Cl)[C@@H]1C 7108505 COHYXQOYAHWUDQ-JTNHKYCSSA-N 358.265 4.091 0 40 FIAB Cc1cc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)c(C)n1C1CC1 7472665 FAJYAHANGJXQMO-UHFFFAOYSA-N 352.463 4.200 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 8041665 BLPZXBPYGNZFKT-INIZCTEOSA-N 355.434 4.358 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(-c2ccccc2)[nH]n1 8136004 WINKKBDBPIOSGY-UHFFFAOYSA-N 361.401 4.371 0 40 FIAB CCCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)n1 8751008 YTZSPYQKBCBZKG-QMMMGPOBSA-N 359.282 4.183 0 40 FIAB O=C(/C=C/c1ccsc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8848123 UZJNJOOCHPUMPG-BBOMDTFKSA-N 355.459 4.286 0 40 FIAB COc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1 9118868 JLIKWWAJQHYIEW-JTQLQIEISA-N 369.248 4.450 0 40 FIAB Cc1cc(-n2c(C)cc(-c3csc(NC[C@H]4CCCO4)n3)c2C)no1 9256375 RNEABNWXKAYWKL-CQSZACIVSA-N 358.467 4.105 0 40 FIAB Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)oc2ccccc12 9466961 RGAMNCOEMUPGTF-SFHVURJKSA-N 363.392 4.133 0 40 FIAB O=C(Nn1cn[nH]c1=S)c1ccc(-c2cccc3ccccc23)s1 9515439 IDFDFNUZXATJDE-UHFFFAOYSA-N 352.444 4.206 0 40 FIAB CN(CCCNC(=O)c1cc(F)c(Cl)cc1Cl)Cc1ccccc1 9983078 HJJWQLBGWHBVTA-UHFFFAOYSA-N 369.267 4.384 0 40 FIAB COc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1OC 11071799 BHTBLHRGTZNYLE-UHFFFAOYSA-N 362.429 4.115 0 40 FIAB Cc1cc(SCc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2n1 12536414 WQGCKAPZEVNNKJ-UHFFFAOYSA-N 372.515 4.086 0 40 FIAB COc1ccc2cc(CN(C)Cc3nc(O)c4sccc4n3)ccc2c1 12684427 QXCYDYUCHVPPHX-UHFFFAOYSA-N 365.458 4.191 0 40 FIAB Cc1ccc(-c2nnc([C@H](C)Nc3ccc(N4CCCC4=O)cc3)o2)cc1 12804535 XPPRVYMQIYWAPX-HNNXBMFYSA-N 362.433 4.345 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c(OC)c1 12820559 QHHWRFILNCSORD-PUZFDUQFSA-N 371.399 4.344 0 40 FIAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1OC(F)(F)F 12928219 DBIFTIQWPYDXGB-UHFFFAOYSA-N 365.760 4.348 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCc1ccccc1F 12988394 ABFGRSGGKVKCCK-UHFFFAOYSA-N 360.335 4.008 0 40 FIAB O=C(Cc1ccc2ccccc2c1)NC[C@H](c1cccs1)N1CCCC1 13988515 KMYASDYLIWKMTO-HXUWFJFHSA-N 364.514 4.397 0 40 FIAB FC(F)(F)c1cccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c1 13990463 VSDHAOYZYVWTKD-SFHVURJKSA-N 350.384 4.282 0 40 FIAB O=C(COc1ccccc1)N1CCc2sccc2[C@@H]1c1cccs1 14117702 PUYOPNLLWZGCOX-LJQANCHMSA-N 355.484 4.363 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 14179980 QNPWZFHPSFWLIC-UHFFFAOYSA-N 357.797 4.323 0 40 FIAB CC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Br)s1 14378848 HCZUOHDNAMXSGJ-VQHVLOKHSA-N 350.237 4.365 0 40 FIAB Cc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)NCc2cccs2)c1 18443545 NOKNEYIFNLALOY-HNNXBMFYSA-N 371.531 4.348 0 40 FIAB O=C(CC1CCN(C2CCCCC2)CC1)Nc1cccc(-n2cccn2)c1 19748285 BUNVJUFJDYKUHQ-UHFFFAOYSA-N 366.509 4.246 0 40 FIAB COc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20141408 DNDPTQVUCZKMIY-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB Cc1cc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)ccc1Cl 20144262 WMKYJXYHLCIEGR-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2ncc3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)C1 20672981 RIZLTNBPSMVXHG-JGJJFQDLSA-N 361.489 4.417 0 40 FIAB CN1C(=O)CC[C@@H](C(=O)Nc2cccc3ccccc23)[C@H]1c1ccccc1 20714741 CLHQIIBHGJTAOT-DENIHFKCSA-N 358.441 4.388 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 20836407 QEYNHCBJWMFKAO-CYBMUJFWSA-N 371.487 4.236 0 40 FIAB CN(Cc1ccccc1Br)C(=O)c1ccc(O)c(Cl)c1 23572234 JZZXSZKIEWGSKF-UHFFFAOYSA-N 354.631 4.080 0 40 FIAB Cc1cccc(Cc2cnc(NC(=O)/C=C/c3cnn(C)c3)s2)c1Cl 24759042 ZBEHTDGEKHVVLC-VOTSOKGWSA-N 372.881 4.081 0 40 FIAB CCCOc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1OC 28286874 PDWWJHIYIVGWOG-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc[nH]c1=S 29644708 XAPFFPGLELGGFZ-UHFFFAOYSA-N 360.489 4.140 0 40 FIAB C[C@H]1Oc2ccccc2N(CCC(=O)O[C@H](C)c2ccccc2Cl)C1=O 31330242 YOLSDQXTZYDSBY-ZIAGYGMSSA-N 373.836 4.148 0 40 FIAB C[C@@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1Br 32914033 FRTLYENIHDBBNA-ZIAGYGMSSA-N 362.267 4.232 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(CN2CCOCC2)c1 38757044 GUKDBGUFVLAJSP-UHFFFAOYSA-N 365.260 4.078 0 40 FIAB Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)oc2c1C(=O)CCC2 40128673 AZWVHDTUJPQDAT-UHFFFAOYSA-N 366.244 4.386 0 40 FIAB Cc1ccc([C@@H](NC(=O)NCCc2ccc(F)cc2)C(F)(F)F)cc1 40158471 LOVGUQBUBHJYEC-MRXNPFEDSA-N 354.347 4.279 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(N(C)c2ccccc2)nc1 48287997 KFHJEZZLRUHKNB-UHFFFAOYSA-N 373.456 4.451 0 40 FIAB Cc1cccc(Nc2nc(CC(=O)N[C@H](C)c3ccccc3)cs2)n1 49029585 AFLHQKFCAUAZBN-CQSZACIVSA-N 352.463 4.010 0 40 FIAB O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(=O)c2ccccc2o1 50490313 BYPRVOKCLAHNIM-UHFFFAOYSA-N 358.353 4.233 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)NC(c1ccccc1)c1ccccc1 57406362 ITFMWEPQFUROGY-QGZVFWFLSA-N 360.457 4.401 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 64328819 IXGZSUARZKSXEU-UHFFFAOYSA-N 357.425 4.220 0 40 FIAB CCOc1ccc(C(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1 67206338 GUPPTQMESHLKAK-UHFFFAOYSA-N 372.896 4.052 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70639979 MVUHUHYHFZYXFK-JCVNQNCUSA-N 369.770 4.222 0 40 FIAB Fc1c(Cl)cccc1NC(=S)Nc1ccc(N2CCOCC2)cc1 71760649 FLDWYPYUGRTDGV-UHFFFAOYSA-N 365.861 4.125 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)=O 72215218 NHZBNYGLXLBJFH-WMLDXEAASA-N 361.486 4.305 0 40 FIAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 72215417 HWBXGERRJHHDLY-KRWDZBQOSA-N 359.470 4.059 0 40 FIAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1 72349159 YCEFLPSHGIZLEG-UHFFFAOYSA-N 371.484 4.396 0 40 FIAB CC(C)N(C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1)C1CC1 74466543 ALNDPTCQEPIHLI-UHFFFAOYSA-N 370.518 4.265 0 40 FIAB CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@H]3CC(=O)CC[C@@]32C)[C@@H]2CC[C@H](C(C)=O)[C@@]12C 78584779 WDXFAOOXKQDOOG-UMTOXASFSA-N 374.521 4.345 0 40 FIAB CN(Cc1nc2ccccc2n1C)c1ncc(C(F)(F)F)cc1Cl 84314021 RTJFSBPVGUGWGD-UHFFFAOYSA-N 354.763 4.277 0 40 FIAB CC[C@H](C[C@H](C)CO)NC(=O)[C@H](Sc1ccccc1)c1ccccc1 84727135 NMPPLROANIGBNY-ILZDJORESA-N 357.519 4.433 0 40 FIAB O=C(NCc1ccccc1COCc1ccccc1)c1cc2occc2[nH]1 89836714 WPHCNXOJTGIYEN-UHFFFAOYSA-N 360.413 4.408 0 40 FIAB C[C@H](CNC(=O)c1ccc(F)c(Cl)c1)c1nc(-c2ccccc2)no1 89953328 UZMOQSKWWMXKOJ-LLVKDONJSA-N 359.788 4.063 0 40 FIAB CN(C(=O)c1ccc(-c2ccc(F)cc2)s1)[C@H](CO)c1cccc(F)c1 95444561 MYBMNJJXJHMYPD-QGZVFWFLSA-N 373.424 4.499 0 40 FIAB O=C(c1ccc[nH]1)N1CCC2(CC1)C[C@@H](c1cccnc1)c1ccccc12 96079259 PMQJTTKAORGSLC-IBGZPJMESA-N 357.457 4.119 0 40 FIAB O=C(Cc1ccsc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119705 XOSPYWBBANREHU-UHFFFAOYSA-N 365.414 4.163 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 100664018 WPEMSHFJDFYNQV-ZPLOVTKXSA-N 357.409 4.036 0 40 FIAB CC(C)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cncn2)(C4)C3)cc1 102846226 ILEWZCBTJAKQSB-UOBYYGQQSA-N 364.493 4.336 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCc1cccs1 103540720 GYAUPQIGOSLOAT-QJRTVWDNSA-N 368.340 4.488 0 40 FIAB O=C(CCc1ccccc1F)NCc1ccc(CN2CCCCC2)cc1 105046034 OZSQDAFUSIUDLK-UHFFFAOYSA-N 354.469 4.061 0 40 FIAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCC[C@@H]1C 108851959 GOBNLEVBNFDLID-COPLHBTASA-N 358.265 4.234 0 40 FIAB C[C@@H](NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1nccn1C 183053425 DBFJRZYFSZQICX-LLVKDONJSA-N 366.412 4.413 0 40 FIAB CC(C)c1ccccc1OCC(=O)NCCCN1CCCc2ccccc21 222815243 IDIIUUOHDRBEEO-UHFFFAOYSA-N 366.505 4.148 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1 224441821 HASJVKLPJIEKIX-GOSISDBHSA-N 361.869 4.255 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 224471803 VSKBEVVAMSYBJZ-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCSCc2ccc(C)cc2)c1 225293631 LYOHMVBFANYDEZ-UHFFFAOYSA-N 374.531 4.001 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccc(Cl)cc2)c(OC)c1 225543410 VYJGUZJRBHNLEO-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB CC1(C)C[C@@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2O1 225577093 QESSTTYFKAXDRK-OAHLLOKOSA-N 370.474 4.047 0 40 FIAB COc1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1Cl 225728125 CHLQNXMHHFDUBI-ZIAGYGMSSA-N 369.962 4.003 0 40 FIAB COc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)c(OC)c1 225789523 UJFZRBMXKZUXGO-OAHLLOKOSA-N 374.506 4.075 0 40 FIAB COc1ccc(SCCCNC(=S)Nc2ccccc2F)cc1 225802775 ZEHLGWOBABLDEG-UHFFFAOYSA-N 350.484 4.303 0 40 FIAB O=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 229712145 XGQJJHMAEVRMPC-JYAXBFRTSA-N 351.494 4.114 0 40 FIAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 408674530 ZZIIEYIUEJSMRO-HNNXBMFYSA-N 355.409 4.216 0 40 FIAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccc(C)c2)cc1 408972677 QOKHQFYLOKXUEC-UHFFFAOYSA-N 362.429 4.173 0 40 FIAB O[C@@H]1[C@@H](NCCCc2ccccc2)CCC[C@H]1Oc1ccccc1Cl 585289634 LDQASLOCAPLJBM-CEWLAPEOSA-N 359.897 4.223 0 40 FIAB COc1cccc(C2(NC(=O)Nc3cccc(N(C)C)c3C)CCC2)c1 666572876 AVEVLBWVYNRCKO-UHFFFAOYSA-N 353.466 4.271 0 40 FIAB Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2F)o1 684942752 YAZDYESLCOZAPZ-KRWDZBQOSA-N 353.397 4.187 0 40 FIAB CC(C)c1[nH]c2cccc(I)c2c(=O)c1C(C)C 685938748 VUJIRKOVRHRZAW-UHFFFAOYSA-N 355.219 4.380 0 40 FIAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc(-c2ccco2)s1 1889046851 FSLDGBJMWRLHIL-OAHLLOKOSA-N 373.499 4.340 0 40 FIAB c1ccc(-c2nc(CN3CCc4nc5ncccc5cc4C3)cs2)cc1 2087066786 RSGKJJCMJWYXBV-UHFFFAOYSA-N 358.470 4.312 0 40 FIAB CCc1ccc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1 899662 MFVHXIJQHUEMER-UHFFFAOYSA-N 370.430 4.202 0 40 FIAB Cc1cc2nnc(SCC(=O)Nc3ccc(F)cc3)n2c2ccccc12 944310 QZLRYXVDVBMNBD-UHFFFAOYSA-N 366.421 4.061 0 40 FIAB CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1358454 RBCZYZUFKMSLCF-OAHLLOKOSA-N 364.449 4.373 0 40 FIAB Cc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1 1390454 USJXMCSUZLYPBD-UHFFFAOYSA-N 357.207 4.096 0 40 FIAB C[C@H](NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccccc1 1431362 HVZBXYIUJZMHIZ-NSHDSACASA-N 361.323 4.246 0 40 FIAB COc1cccc(NC(=O)CCCOc2ccc(Br)cc2)c1 2651223 RXVSJIIHIOHVPU-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB CCOc1ccc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2c1 2726530 VZPQDBQDDGASMP-UHFFFAOYSA-N 351.431 4.358 0 40 FIAB N=C1c2ccccc2CN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 3183117 DKCLMDIZBCMJHP-UHFFFAOYSA-N 374.284 4.344 0 40 FIAB Cc1cc(C(=O)OCC(=O)Nc2c(Cl)ccc(C)c2Cl)c(C)o1 3317796 ZNLPVIIVINJGIT-UHFFFAOYSA-N 356.205 4.307 0 40 FIAB CCOCCCn1c(SCc2ccccc2)nc2ccccc2c1=O 4161576 FEPPQUIWECUYFJ-UHFFFAOYSA-N 354.475 4.115 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(CC)cc1 4852789 RSDTTYWNKIRHHH-UWJYYQICSA-N 352.434 4.417 0 40 FIAB Cc1occc1-c1nnc2sc(COc3ccc4ccccc4c3)nn12 4939076 UKWLRYUNFABYLT-UHFFFAOYSA-N 362.414 4.486 0 40 FIAB Cc1ccc2cc3c(nc2c1)N(NC(=O)Nc1cccc(Cl)c1)CC3 5307968 KDAMUJWTNQQQQW-UHFFFAOYSA-N 352.825 4.296 0 40 FIAB Cn1c(Cc2cccs2)nnc1SCc1ncc(-c2ccccc2)o1 5579853 KEYUCWZXYPOCPD-UHFFFAOYSA-N 368.487 4.415 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1 6231846 GWOFQVUUAVBBMU-UHFFFAOYSA-N 374.156 4.485 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1 6386529 IIPJTELBGIZJSL-UHFFFAOYSA-N 369.490 4.251 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)c(C)c1 6390335 LFZWXUURTFMQRV-UHFFFAOYSA-N 353.491 4.030 0 40 FIAB CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 6628221 YWTCLYULJNXJSK-UHFFFAOYSA-N 372.538 4.196 0 40 FIAB Clc1cccc(-c2noc(CSc3nncn3-c3ccccc3)n2)c1 6974908 CGKYEBUMWHNWDH-UHFFFAOYSA-N 369.837 4.263 0 40 FIAB Cc1nc(SCC(=O)c2ccc3c(c2)OCO3)n(C2CCCC2)c1C 7140171 ZLGOYHVETNDQPC-UHFFFAOYSA-N 358.463 4.319 0 40 FIAB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1c(Cl)cccc1Cl 7552488 DEDNQGXHGNDXHH-HNNXBMFYSA-N 369.248 4.059 0 40 FIAB Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 7609699 LVTZWIZGHKFNCT-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB c1nc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccsc2n1 8203205 KMZYBQCZDUSEAH-HNNXBMFYSA-N 353.447 4.194 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 8355293 FZQVUJJSYIWPKL-OAHLLOKOSA-N 371.477 4.258 0 40 FIAB COc1ccccc1NC(=S)N1CCC(c2nc3ccccc3o2)CC1 8687204 UOEJCJUKQZRKHV-UHFFFAOYSA-N 367.474 4.413 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)c1 9137597 KJVXBXSXDCHRPH-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB COc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(C)cc2)CC3=O)cc1 9288388 DMYUCCFYLTYAHU-INIZCTEOSA-N 359.429 4.450 0 40 FIAB Cc1ccc(-n2ccnc(NCCc3ccc(Cl)cc3)c2=O)c(C)c1 9320310 CWFPXWNUPPBMHX-UHFFFAOYSA-N 353.853 4.157 0 40 FIAB CCOc1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1 9436291 REOACHHAGFMNIO-UHFFFAOYSA-N 370.380 4.035 0 40 FIAB O=C(OCc1cc(-c2cccs2)on1)c1ccc(Cn2cccn2)cc1 10823068 DYGRPCLPVQXTBM-UHFFFAOYSA-N 365.414 4.005 0 40 FIAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1COc2ccc(Cl)cc2C1 12554165 ASOVBCIOIFOKSI-CYBMUJFWSA-N 371.849 4.048 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12766348 IOWFUQBHKSSEKO-OAHLLOKOSA-N 363.436 4.300 0 40 FIAB C[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 12979063 KOPQKQQCERLYQV-NSHDSACASA-N 366.244 4.185 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N3CCCC[C@@H]3C)c12 13641921 RLUVIXJIOKHRTC-LBPRGKRZSA-N 353.397 4.352 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 14226785 RPYMFOBFPYHUDQ-QGZVFWFLSA-N 370.880 4.448 0 40 FIAB O=C(Nc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609714 HZRHTFKYKYONTE-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccncc3)cc12 15480185 WIWCCNHQMJJUCL-UHFFFAOYSA-N 366.421 4.241 0 40 FIAB COC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccc(F)cc3)o2)cc1 15867413 SJQVIUUSIVLXKF-UHFFFAOYSA-N 367.376 4.444 0 40 FIAB Cc1ccccc1OCC(=O)NCCSCc1c(F)cccc1Cl 16363016 FZGBKOQJJNWGRM-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)NCc1ccc(C(=O)O)cc1 20145378 COJFKJHKOACQPD-ZRDIBKRKSA-N 365.360 4.114 0 40 FIAB Cc1cccc(NC(=O)COc2c(Cl)cc(C=O)cc2Cl)c1C 20393442 HHQVEIUNDNDIAT-UHFFFAOYSA-N 352.217 4.440 0 40 FIAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccccc4)cc3)nn12 20609707 QGEWBIQNPVTOAH-UHFFFAOYSA-N 363.446 4.058 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2F)c1 21205412 FJLQODDDIDXWIK-KRWDZBQOSA-N 363.816 4.474 0 40 FIAB CC(=O)c1c(C)[nH]c(-c2csc(Nc3ccc4c(c3)OCCO4)n2)c1C 21224823 WQRXGPDBEPNILU-UHFFFAOYSA-N 369.446 4.472 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 21991667 MTSLFKWJINJVBO-RBFKZVKLSA-N 358.478 4.019 0 40 FIAB in-vitro Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCCC2=O)cc1 22515350 HXIRGFRYGRKVFQ-UHFFFAOYSA-N 350.462 4.493 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NC(C)C 22531140 MDKIDORQEGPBST-UHFFFAOYSA-N 362.429 4.239 0 40 FIAB CCn1c(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc2ccccc21 24641123 LYENIIWGVMCZTH-UHFFFAOYSA-N 371.868 4.183 0 40 FIAB COc1c(C)ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)c1C 25135033 CHBMZNWMUPQICR-UHFFFAOYSA-N 366.461 4.077 0 40 FIAB O=C(NCc1cccnc1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 25525848 XQGGZTQNGAPEOS-HOTGVXAUSA-N 351.475 4.282 0 40 FIAB O=C(c1ccc(F)cc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 25840168 SXOHNHKZOAOVEQ-UHFFFAOYSA-N 357.816 4.375 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27583810 HYJSCULMVNMHCQ-HXUWFJFHSA-N 372.896 4.306 0 40 FIAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(F)ccc1F 28305934 UDOHFPOBQFAODF-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2sccc2-n2cccc2)cc1OC 31201681 PHZIYVLMJDGTNQ-UHFFFAOYSA-N 370.474 4.218 0 40 FIAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1C(=O)c1ccco1 32726974 SXXDZWVMCKFHJB-LJQANCHMSA-N 360.413 4.190 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2c(-n3cccc3)sc3c2CCC3)cc1 36360437 YNJDKLFCWUHILP-UHFFFAOYSA-N 365.458 4.238 0 40 FIAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(-c4ccccc4)no3)c12 36616023 YCFJXCLYFOWEQV-UHFFFAOYSA-N 373.416 4.061 0 40 FIAB Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)c(C)s1 40080831 KLYJAOHWRPASOH-NEPJUHHUSA-N 364.898 4.014 0 40 FIAB Cc1cc(CNC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)on1 58415528 PJMWOYYFPLHLHA-UHFFFAOYSA-N 366.204 4.183 0 40 FIAB O=C(C[C@@H]1OC(=O)c2ccccc21)N[C@@H](c1cccs1)C1CCCC1 65474874 ORASRYNIYYMWMT-QFBILLFUSA-N 355.459 4.397 0 40 FIAB Cc1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(F)cc3)c[nH]2)cc1 67898777 RGMPHFCLCMKZSF-FQEVSTJZSA-N 351.425 4.098 0 40 FIAB biogenic,in-vitro Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218916 BLHLNUAYQZAJHV-HXUWFJFHSA-N 365.477 4.464 0 40 FIAB Cc1cc(C)n(-c2nc3ccc(NC(=O)c4cccs4)cc3s2)n1 72229677 PDZDACCGZYGCIS-UHFFFAOYSA-N 354.460 4.413 0 40 FIAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C3CCCC3)C2)c1 72358328 UGNAJESZUZDORF-GOSISDBHSA-N 364.493 4.224 0 40 FIAB CCn1c([C@H]2CCCN2Cc2noc(C(C)(C)C)n2)nc2ccccc21 75104902 QPQLXRHCZGYBLM-MRXNPFEDSA-N 353.470 4.074 0 40 FIAB Cc1ccc(-c2noc([C@H](C)Nc3ccc4c(c3)CCC(=O)N4)n2)cc1F 78336347 AVOATJDAYLVPSD-LBPRGKRZSA-N 366.396 4.242 0 40 FIAB O=C(O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(Cl)cc3)nc2c1 84383579 DTCFJRLCQULDDZ-QPEQYQDCSA-N 361.184 4.424 0 40 FIAB CC(=O)N[C@H](CC(=O)N(C)C1CCCCCCC1)c1ccc(Cl)cc1 95393347 UULXWPFDGOWYPG-LJQANCHMSA-N 364.917 4.479 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 95464359 ZMFZGULQAOPEOD-HKUYNNGSSA-N 370.497 4.204 0 40 FIAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 100743596 BPHFXDWXHHWFFJ-IYBDPMFKSA-N 370.497 4.185 0 40 FIAB Cc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 102575507 PAJBLMNPLBXPTD-QVKFZJNVSA-N 372.428 4.357 0 40 FIAB CCn1nc(C(C)C)cc1C(=O)N1CCC(Nc2cccc(C)c2)CC1 151812711 NMNXMTYQSFWCQS-UHFFFAOYSA-N 354.498 4.052 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NCCCn1ccc2cccnc21 206659758 ZFSYQOKUCOMNDR-UHFFFAOYSA-N 373.456 4.408 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(OC)c1 219310951 CDIGFLCZNYZAQZ-SJLPKXTDSA-N 371.477 4.355 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222711862 HVXDUMZWVSSQHE-APWZRJJASA-N 369.461 4.109 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCCOc1ccccc1Cl 223367102 HTVJSDPLDJZKQM-UHFFFAOYSA-N 374.651 4.221 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1 224107405 HGHOFXGULZZXEX-INIZCTEOSA-N 361.869 4.228 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225533660 CJMJIYXRCDIPHW-QFBILLFUSA-N 371.477 4.355 0 40 FIAB S=C(NCCCSCc1ccccc1Cl)Nc1ccncc1 225608366 PHLFXZHEGPDGEX-UHFFFAOYSA-N 351.928 4.345 0 40 FIAB O=C(NCc1cccnc1-c1ccsc1)C1(c2ccc(F)cc2)CC1 225648212 VXJACCIVBCZCEE-UHFFFAOYSA-N 352.434 4.297 0 40 FIAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(C)c(C)c3)n2)c1 225814331 XKWOSSGRLKKBCT-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB CC(C)(C)CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 226091880 RPNWTAQAVNTHTR-UHFFFAOYSA-N 368.452 4.195 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2-n2cccc2)CC1 226245580 GJPCERDTFZVSQK-UHFFFAOYSA-N 365.864 4.093 0 40 FIAB Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1C 408674498 ZURGIHJFDLFYRU-HNNXBMFYSA-N 357.837 4.224 0 40 FIAB Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccco3)C(=O)O2)cc1 408839234 PEOYMMKXADLROL-GHRIWEEISA-N 373.364 4.152 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 409121557 WQDORJMRPGOABG-JKSUJKDBSA-N 370.518 4.475 0 40 FIAB Clc1ccc2ncc(-c3cccc(C[C@@H]4CCC[C@H]5CNC[C@@H]45)n3)n2c1 585262966 RWDCKELYCFODLI-MPGHIAIKSA-N 366.896 4.228 0 40 FIAB CC1(C)C[C@@H]2CN(Cc3ccc(O)cc3)CC[C@@H]2N1c1cccc(F)c1 1615129739 NAHXNIAQNNCTLA-UTKZUKDTSA-N 354.469 4.411 0 40 FIAB CC(C)CCOc1ccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 1651130321 IMEPSURHUWHVDE-SFHVURJKSA-N 370.468 4.146 0 40 FIAB Cc1cc(CNc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)ccc1Cl 1657494304 ZROVGDYQLKNMMU-AWEZNQCLSA-N 369.856 4.052 0 40 FIAB FC(F)(F)c1cccnc1N1CC(n2c(C3CC3)nc3ccccc32)C1 1775972870 ZMAYIJWASVFWAD-UHFFFAOYSA-N 358.367 4.389 0 40 FIAB FC(F)(F)c1cccc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)n1 1888843554 WFFLBGYIFUAZIV-RYUDHWBXSA-N 356.779 4.323 0 40 FIAB C[C@@]1(c2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 538561 PRKWVSHZYDOZLP-SFHVURJKSA-N 365.212 4.154 0 40 FIAB in-man COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)C[C@H](C)CC4)cc1 691680 NXSDBPGSRXOOJI-LLVKDONJSA-N 367.474 4.264 0 40 FIAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccnc2)cc1 860618 RITOAEVJJNZXKJ-RBBKRZOGSA-N 357.413 4.333 0 40 FIAB CCc1cccc(CC)c1NC(=O)CSc1nnc(C2CC2)n1CC 1364676 IAJYSCDUXFXSRK-UHFFFAOYSA-N 358.511 4.031 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2OC)cc1 2271578 IKZROPBOHLBFCL-NRFANRHFSA-N 360.413 4.475 0 40 FIAB COc1ccccc1-c1nnc2sc(Cc3ccc(Cl)cc3)nn12 2433060 NJIPFOFMTBHKQU-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB C[C@H]1C[C@@H](C)CN(C2CCN(Cc3ccccc3Br)CC2)C1 2735152 JUMJMQVCTRHKTK-IYBDPMFKSA-N 365.359 4.391 0 40 FIAB CCSc1nnc(NC(=O)C(c2ccccc2)c2ccccc2)s1 2773494 KKTZBUUIJXXHHN-UHFFFAOYSA-N 355.488 4.421 0 40 FIAB COc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 3044829 IXKZDIDCVMPQCL-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 3239167 KPHCHEUHAOOPHC-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CC(=O)[C@H](CC(=O)Nc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1 3300779 RPTPCORQHKDHRX-SFHVURJKSA-N 372.852 4.129 0 40 FIAB CN(C)[C@@H](CNC(=O)CCCc1nc2ccccc2s1)c1ccccc1 3336516 JBBXKSZCAHMTTA-SFHVURJKSA-N 367.518 4.038 0 40 FIAB C[C@H]1Cc2ccccc2N1CC(=O)NC(c1ccccc1)c1ccccc1 3397922 WXBJGZGJDLUJIO-SFHVURJKSA-N 356.469 4.343 0 40 FIAB O=C(OCC(=O)c1cccs1)c1ccc(C(=O)c2ccccc2)cc1 3408582 OTRJFGMLWAWRLS-UHFFFAOYSA-N 350.395 4.019 0 40 FIAB CCOc1ccc(-c2nc(COC(=O)c3ccco3)cs2)cc1OC 3443129 OKHKUPMKDYNPMY-UHFFFAOYSA-N 359.403 4.167 0 40 FIAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1OC(F)F 3465787 DVTRAVRHZJELBO-UHFFFAOYSA-N 350.346 4.160 0 40 FIAB CC(C)(C)c1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)cc1 3514684 WRIISZXTCXBAMM-UHFFFAOYSA-N 373.880 4.153 0 40 FIAB Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc(Br)cc2)c1 3607974 LSSIBKFAQFFLDU-CQSZACIVSA-N 362.267 4.322 0 40 FIAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(F)cc2s1 4359446 IMFFUWTZZFKINC-UHFFFAOYSA-N 361.442 4.017 0 40 FIAB CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO 4557122 GGJRAQULURVTAJ-LVTNFWOSSA-N 352.515 4.472 0 40 FIAB biogenic,in-vitro Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 6436050 XIWDWYSGWXQUJG-PJSUUKDQSA-N 356.466 4.425 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccc(OC)cc2[nH]1 6586843 ZPCQRJLIJISXNL-UHFFFAOYSA-N 356.447 4.465 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 7382493 DZJQGNJTECSIBD-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB COc1cc(SC)ccc1C(=O)NCCSCc1ccccc1F 7637893 ZVTJMWLFONEHGL-UHFFFAOYSA-N 365.495 4.219 0 40 FIAB CCc1ccc(NC(=O)Cc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 7845954 WWKLIGMZOSECRQ-UHFFFAOYSA-N 366.442 4.282 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)c1cc(F)ccc1Br 8140863 HUGKXSLBNCFOMY-UHFFFAOYSA-N 360.129 4.442 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1N1CCCC1=O 8709480 KUXFNHWCVGYIKH-UHFFFAOYSA-N 361.445 4.256 0 40 FIAB CC(=O)c1sc(NC(=O)[C@H]2CC2(Cl)Cl)nc1-c1ccccc1 9447444 ZSUNHXDQMJUTKL-SNVBAGLBSA-N 355.246 4.145 0 40 FIAB CCn1ncc2c(C(=O)Nc3cc(C)ccn3)cc(-c3ccccc3)nc21 10430588 NDXHNUOXKNUZKH-UHFFFAOYSA-N 357.417 4.074 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1Cl 11694353 AEGIWTROCNVVRU-UHFFFAOYSA-N 359.788 4.316 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc(-c2cccs2)on1 12236749 RXEUSRHPCLWADR-UHFFFAOYSA-N 366.398 4.119 0 40 FIAB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3)C[C@@H]21 12312113 VFVCTVJLKYXKKY-SIKLNZKXSA-N 357.413 4.333 0 40 FIAB Cc1cc(Br)ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 12755067 YJFVRRMPIQFVKP-OAHLLOKOSA-N 366.642 4.353 0 40 FIAB COc1ccc(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1 12765307 SJPCCNMJCQYWCM-UHFFFAOYSA-N 368.336 4.456 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1OC(F)F 12771311 HATBWSQRUPAZNA-LBPRGKRZSA-N 351.349 4.011 0 40 FIAB O=C(NC[C@H]1CCCO1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 12916398 LZRQYQDTMQXCDY-MRXNPFEDSA-N 366.392 4.057 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3ccc(C)c(C)c3)n2)c1 13483864 PKGGDOMGFVYAAI-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc(Cl)cc1 13695373 SIXDYESYQLBINE-UHFFFAOYSA-N 366.804 4.388 0 40 FIAB CCOc1c(Cl)cc(C(=O)NCCc2c[nH]c3ccccc23)cc1OC 15615974 JIKFKNXXOCIDJH-UHFFFAOYSA-N 372.852 4.201 0 40 FIAB O=C(c1ccccc1Br)N(Cc1ccco1)c1ccccn1 15669839 NPTISHKLWBHMFK-UHFFFAOYSA-N 357.207 4.284 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N2CCc3cc4cccc(C)c4nc32)c(C)c1 15842065 MBBHZZAGSZWHTA-UHFFFAOYSA-N 366.486 4.220 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1C(C)(C)C 16780146 ISZXSKAWAJXCLZ-HNNXBMFYSA-N 361.507 4.422 0 40 FIAB Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)Nc3ccccc3C)c2n1 17074508 SKDMCPNAFQYHHC-UHFFFAOYSA-N 362.355 4.014 0 40 FIAB COc1ccc(OC)c([C@@H]2N[C@H](c3nccs3)Cc3ccsc32)c1 19552679 NIRRDTDYWHEVLE-HOCLYGCPSA-N 358.488 4.198 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 20455221 FWTYBJUHECYAHR-CABCVRRESA-N 359.491 4.452 0 40 FIAB Cc1cc(NC(=O)c2ccc(F)cc2)cc(C)c1I 21595656 DGNLDECZYRENFL-UHFFFAOYSA-N 369.177 4.299 0 40 FIAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1cccnc1 21790240 FDSYWSOPDKHVLQ-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB COc1ccc(CNCc2ccc(Cl)cc2Cl)c(OC)c1OC 22771922 UMSNHPWNJDTHNF-UHFFFAOYSA-N 356.249 4.309 0 40 FIAB O=C(COc1ccc(-c2ccccc2)cc1Cl)NCCCOCC1CC1 24479009 FPSNJXXJRWEEDM-UHFFFAOYSA-N 373.880 4.319 0 40 FIAB O=c1c(C(F)(F)F)cccn1Cc1ncc(-c2cccc(Cl)c2)o1 24767306 RHYBFDZWRAFLFW-UHFFFAOYSA-N 354.715 4.224 0 40 FIAB CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)c1ccccc1 24830423 HCGVDFBNRGMARN-YLJYHZDGSA-N 368.477 4.205 0 40 FIAB O=C(/C=C/c1ccc(F)c(Cl)c1)Nc1ccc(C(=O)NC2CC2)cc1 24986559 AVPSQUXPLLNPLJ-WTDSWWLTSA-N 358.800 4.023 0 40 FIAB COc1ccccc1Nc1nn(CN2CCCC[C@@H]2C)c(=S)s1 25196973 HAEODIXFEKDSHR-LBPRGKRZSA-N 350.513 4.258 0 40 FIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(-c2ccccn2)n1 26873854 UVLSJPARDMVDHZ-ZDUSSCGKSA-N 355.438 4.106 0 40 FIAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CN2CCCC2)o1 27984673 KBUFIVIBRILBRT-UHFFFAOYSA-N 374.440 4.359 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 28292203 JUDAOHYJGFRBPR-SFHVURJKSA-N 363.461 4.263 0 40 FIAB Nc1c(C(=O)Nc2ccccc2)c2ccccc2n1C(=O)c1cccs1 28535364 FQVWJESFLCZJNV-UHFFFAOYSA-N 361.426 4.226 0 40 FIAB O=C(c1n[nH]c2ccccc12)N1Cc2ccccc2[C@H](c2ccccc2)C1 29703724 KDWCORRSBWABMR-FQEVSTJZSA-N 353.425 4.351 0 40 FIAB Cc1cc(C(F)(F)F)nc2sc(C(=O)NC3CCCCC3)c(N)c12 32117813 MFCMCVZOAPOYJR-UHFFFAOYSA-N 357.401 4.268 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1cccc2ccccc12 32674815 ZWJGVTREWSVYRM-OAHLLOKOSA-N 361.441 4.471 0 40 FIAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccnc1SC(F)F 32747596 OCQZJAXYDKEYJP-UHFFFAOYSA-N 352.391 4.100 0 40 FIAB Cc1ccc(CNC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)cc1 35312469 ZAJMNAGACBAIPF-LJQANCHMSA-N 365.454 4.271 0 40 FIAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2F)cc1OC 36394880 DXAHXNNQNFSZCE-LLVKDONJSA-N 351.805 4.296 0 40 FIAB CCOc1ccc(-n2nnc(-c3nc(-c4ccccc4)cs3)c2N)cc1 38486685 FUHPTZFVWGMFJT-UHFFFAOYSA-N 363.446 4.039 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)cc1 38756585 QFEKACPFCKCYED-GOSISDBHSA-N 355.434 4.276 0 40 FIAB Cn1cc(Cl)cc1C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 40015819 LRUJJELBDHUWIU-UHFFFAOYSA-N 350.809 4.270 0 40 FIAB O=C(NCc1ccc(-n2cccn2)cc1)c1cc(F)c(Cl)cc1Cl 40105160 GOOACUQZAKUWBH-UHFFFAOYSA-N 364.207 4.248 0 40 FIAB Cc1nc(Cc2nn3c(-c4ccc(Cl)cc4F)nnc3s2)cs1 40268816 ABNQEHOBZUMLJQ-UHFFFAOYSA-N 365.846 4.001 0 40 FIAB Cc1ccccc1CS[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104825 LLEZGBCKYBESPW-GOSISDBHSA-N 370.518 4.271 0 40 FIAB COC(=O)c1cc(CN(C)C(=O)Nc2ccc(C(C)(C)C)cc2)oc1C 43172209 RLILMQLADZPGAW-UHFFFAOYSA-N 358.438 4.336 0 40 FIAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc2ccccc2o1 43771628 VDKBTJKEUPWGAJ-UHFFFAOYSA-N 369.442 4.401 0 40 FIAB O=C(CSc1nc(-c2ccco2)n[nH]1)c1ccc(Cl)cc1Cl 44858599 YUOBEAKKJZEOBK-UHFFFAOYSA-N 354.218 4.347 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCCOc2ccc(C)cc2)cc1OC 45382731 ULECNDJJDWDNSA-MRXNPFEDSA-N 357.450 4.049 0 40 FIAB COc1ccc2[nH]cc(C3=CCN([C@@H](C)c4nc(C5CC5)no4)CC3)c2c1 53076349 MGJXPEXPFPEOPX-ZDUSSCGKSA-N 364.449 4.287 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@H]1CCc2cc(Cl)ccc21 55737905 WSQFPYHFFIUNOO-KRWDZBQOSA-N 367.836 4.126 0 40 FIAB O=C1COc2cc(C(=O)N3CCC[C@H]3c3cccc4ccccc34)ccc2N1 56363052 JIAGFJZEGNQRAZ-FQEVSTJZSA-N 372.424 4.148 0 40 FIAB CC(C)Oc1ccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57413609 PJOASEZOHZYQAB-UHFFFAOYSA-N 369.852 4.447 0 40 FIAB Cc1cccc(NC(=O)c2cc3c(s2)CCC3)c1C(=O)N1CCCC1 58416736 RANYSRSFSUTYCQ-UHFFFAOYSA-N 354.475 4.034 0 40 FIAB COc1ccc2[nH]cc(C3CCN(C(=O)Nc4nc(C)c(C)o4)CC3)c2c1 65821175 ADDDVKCAGMKWPD-UHFFFAOYSA-N 368.437 4.193 0 40 FIAB Cc1cccc(C)c1NCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 70946209 XKVKXYRSSWJJCA-QGZVFWFLSA-N 363.417 4.279 0 40 FIAB COc1cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc(OC)c1 71760804 GGFWMDDLEQKTLL-UHFFFAOYSA-N 372.368 4.411 0 40 FIAB Cc1c(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)oc2c(C)cccc12 84567595 MIERPEHASZTRLL-UHFFFAOYSA-N 354.381 4.143 0 40 FIAB COCCN(Cc1ccoc1)C(=O)C1c2ccccc2Oc2ccccc21 85474363 NTWAQLCGULLGQU-UHFFFAOYSA-N 363.413 4.192 0 40 FIAB COCCn1ccc2ccc(NC(=O)NC3(c4ccccc4F)CC3)cc21 92838883 XEJAKYLISRSNMM-UHFFFAOYSA-N 367.424 4.238 0 40 FIAB O=C(Nc1cccnc1SCc1ccccn1)c1cccnc1Cl 96232405 SHTGCAOWCTWEDF-UHFFFAOYSA-N 356.838 4.070 0 40 FIAB O=C(Nc1ccc(F)cc1-n1cccc1)c1csc(-c2ccccn2)n1 97050165 GBXUJCQDXJMJGG-UHFFFAOYSA-N 364.405 4.387 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 102465893 MJMHIKIDQMCPJC-GBESFXJTSA-N 351.494 4.274 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N1CCS[C@H](c2cccs2)CC1 219530764 TUMDHLRGWNKHEW-INIZCTEOSA-N 362.476 4.189 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)c1C 219590592 LPYDCKNPFJKIRB-LJQANCHMSA-N 355.434 4.276 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc3ccccc3nc2s1 223131235 CURQTEOBYKTOFV-UHFFFAOYSA-N 362.410 4.473 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)s1 223331186 IVVBTKXFZDJSIX-IRXDYDNUSA-N 355.488 4.217 0 40 FIAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223403574 IDNHJJNIBNNSRW-VQTJNVASSA-N 362.502 4.076 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 224075029 IEUJPKMCZXEBRW-CYBMUJFWSA-N 365.524 4.370 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1ccc(OC)cc1 224494465 HSFQNNXWVKZQEZ-QFIPXVFZSA-N 367.489 4.390 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)[nH]1 224914995 ITSSZGXHYBBQKD-MOPGFXCFSA-N 366.465 4.343 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 224971156 JZFCFYPVGCLYMD-UHFFFAOYSA-N 374.459 4.384 0 40 FIAB Cc1cc(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)ccc1Cl 225065856 ULZLAEMKNGQYKP-HNNXBMFYSA-N 369.642 4.486 0 40 FIAB Cc1cccnc1NC(=S)NCCSCc1c(F)cccc1Cl 225369821 WYIWSECVMPGJMF-UHFFFAOYSA-N 369.918 4.402 0 40 FIAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc2c(c1)CCCC2 225635766 IXDQFSZYLZVYGQ-UHFFFAOYSA-N 367.836 4.199 0 40 FIAB O=C(c1ccc(Cl)s1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225739015 KCGVXZMTGZNRCV-CYBMUJFWSA-N 358.850 4.243 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2C[C@@H](C)C[C@H](C)C2)c(C)cc1N 226331674 VWJUMBVLMGVQAK-GJZGRUSLSA-N 367.493 4.320 0 40 FIAB O=C(O)/C=C/c1cc(Cl)c(OCc2cccnc2)c(Br)c1 226341738 NLBDTBFIFQUSBQ-ONEGZZNKSA-N 368.614 4.174 0 40 FIAB COC(=O)c1ccc(Br)c(-c2cc3ccccc3oc2=O)c1 226357634 CDUVAPFXGNTOCC-UHFFFAOYSA-N 359.175 4.009 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCC[C@H]1CC 260492788 VRDZNDFQOOMGSS-AEFFLSMTSA-N 366.933 4.268 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(Cl)cc1Cl 408706444 VNRMPPMVOREUFR-KRWDZBQOSA-N 368.260 4.476 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1C[C@@H](C)c2ccccc21 563649885 KCGNGNZAWDBIFD-MRXNPFEDSA-N 363.461 4.387 0 40 FIAB CC[C@H](C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1 575611441 VHFRALLPEAUGIK-DLBZAZTESA-N 355.459 4.352 0 40 FIAB CN(c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)C1CCCCC1 583652091 YGGLJKGNLFCKBL-UHFFFAOYSA-N 352.434 4.406 0 40 FIAB c1ccc(CSCc2nnc3sc(Cc4cccs4)nn23)cc1 1501039858 APDWYYWZMGWKLD-UHFFFAOYSA-N 358.517 4.272 0 40 FIAB O=C([C@@H]1CCc2cc(F)ccc21)N1CCOc2ccc(C(F)(F)F)cc21 1515643963 KGCKTTJFRWVJDD-OAHLLOKOSA-N 365.326 4.300 0 40 FIAB CC(C)(C)c1ccc(N2CCC(c3noc4cc(F)ccc34)CC2)nn1 2086865051 DUPKEGREDFTQBT-UHFFFAOYSA-N 354.429 4.438 0 40 FIAB CCCc1cc2c(cc1NC(=O)c1ccc(Br)cc1)OCO2 645797 LOYQEQQGTIFKMS-UHFFFAOYSA-N 362.223 4.383 0 40 FIAB COc1cc(OC)c([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OC 708316 BAGNWWMEJYLNAR-INIZCTEOSA-N 363.413 4.340 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)o2)cc1 882235 DRZJTPBQEAAWSU-CQSZACIVSA-N 365.458 4.115 0 40 FIAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C)c1 949585 MDYGSKHYADELDD-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB O=C1C=C(Nc2ccc(F)c(Cl)c2)C(=O)N1c1ccc(F)c(Cl)c1 950122 BHSRBBIXZQYMKM-UHFFFAOYSA-N 369.154 4.141 0 40 FIAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)c1cccs1 1036432 BSPYFDYJXHMRDH-UHFFFAOYSA-N 352.440 4.069 0 40 FIAB Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 2396800 OTBPDUSSQBYSAM-MRXNPFEDSA-N 353.896 4.085 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 2409769 PVQYPCJBBDFZAA-SJORKVTESA-N 367.840 4.036 0 40 FIAB COc1ccc(NCCC(=O)c2ccc(Br)cc2)c(OC)c1 2520642 IXOLTPZAKJCFQG-UHFFFAOYSA-N 364.239 4.151 0 40 FIAB COc1ccccc1-n1cnnc1SCCCC(=O)c1ccccc1 2627077 UJIVRRZKEQMUQB-UHFFFAOYSA-N 353.447 4.031 0 40 FIAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(C)c(C)c(C)n2)c1C 2627506 ZYEBSWSTRZGBJH-GFCCVEGCSA-N 361.511 4.003 0 40 FIAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(Cl)c2)cc1 2723181 HEFFXEFDXQUDNJ-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2ccccc12 3253674 HMYSGSFPFMOFNT-UHFFFAOYSA-N 359.838 4.023 0 40 FIAB COCc1c(C(=O)OCC(=O)c2c[nH]c3ccccc23)oc2ccccc12 3448738 ILUWZUULWBJICL-UHFFFAOYSA-N 363.369 4.100 0 40 FIAB COc1ccc(-c2nc(NC(=O)Cc3ccccc3F)sc2C)cc1 3554321 QZHLRCJYZWNNHK-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB Cc1ccc([C@H](CN2CCCC2)N(C)C(=O)OCc2ccccc2)cc1 4290003 HSYYVIJYVPBYQH-NRFANRHFSA-N 352.478 4.401 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2cccnc2)nn1 4358289 PNRSVXRTNGELBL-UHFFFAOYSA-N 370.865 4.231 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3F)o2)cc1 5210254 CLXDHQSOXMIRRJ-UHFFFAOYSA-N 361.373 4.054 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](c3c(F)cccc3Cl)C3=C2COC3=O)cc1 5267488 ZOIZSJSJQQGWPT-ZDUSSCGKSA-N 371.795 4.119 0 40 FIAB COc1ccc(-c2nonc2NC(=O)Cc2cccc3ccccc23)cc1 5428030 VLKAAJKKIHXISV-UHFFFAOYSA-N 359.385 4.080 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Cl)ccc1Cl 6317187 QTLRTMJUZQYPIS-UHFFFAOYSA-N 368.188 4.396 0 40 FIAB OC[C@@H](O)c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)c2n1CCC2 6575860 AIVBOCXGVWYMSX-GOSISDBHSA-N 353.849 4.447 0 40 FIAB Cc1nnc(S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)O)[nH]1 6588314 SCCRZMVZZYUUKD-ZSOIEALJSA-N 361.810 4.244 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Br)cc1)C3 6900539 IPIWCYFKDBVCEC-UHFFFAOYSA-N 372.218 4.220 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)Cc2cc(Cl)ccc2OC)cc1 7829180 SOBAQLFPWBYHSM-UHFFFAOYSA-N 374.912 4.049 0 40 FIAB COc1ccc(C[C@@H]2SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 8117437 MPWZFRXPMQZDRZ-INIZCTEOSA-N 361.850 4.155 0 40 FIAB COc1ccc(CCN(C)C(=O)c2cc3c(s2)CCCCC3)cc1OC 8144279 LJOWHEYXUZCDKF-UHFFFAOYSA-N 373.518 4.349 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3ccc(C=O)cc3)n2C)cc1 8731737 WSFKOJDFHVVKIK-UHFFFAOYSA-N 367.474 4.164 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2ccc(F)cc2)o1 9256048 WNHLDOGMMVDTOU-KRWDZBQOSA-N 368.408 4.246 0 40 FIAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C(C)(C)C)cc1 9463354 VWTMYKUZKMMAPH-UHFFFAOYSA-N 364.445 4.116 0 40 FIAB O=C(CCCc1nc2ccccc2s1)Nc1ccc2c(c1)OCCCO2 9592325 WMGMVFNOOCGMSV-UHFFFAOYSA-N 368.458 4.419 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1 9690201 DGHWFICSGTXRLD-CRAIPNDOSA-N 370.880 4.070 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 10473098 JUYJDAOKDFSATE-QGZVFWFLSA-N 368.477 4.239 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2ccccc2Cl)c(C(F)(F)F)c1 10641292 OELUEFXZZNVULJ-UHFFFAOYSA-N 370.758 4.498 0 40 FIAB COc1ccc2cc(CNC(=O)COc3cccc(Cl)c3)ccc2c1 11123288 CDBCIPJEDKKPCJ-UHFFFAOYSA-N 355.821 4.197 0 40 FIAB Cc1csc([C@H](Cc2ccsc2)NC(=O)C[C@H](C)n2ccnc2C)n1 12087892 MBZHIEXKAHOJEE-BBRMVZONSA-N 374.535 4.069 0 40 FIAB CCCn1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)n1 12366605 VOMUXLPKGOXXIL-YHELAOLJSA-N 351.494 4.304 0 40 FIAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 12420409 WNSULBOVPPLHBR-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)cc3)c(=O)oc2c1 12460324 KEDKRQQFOODWKU-UHFFFAOYSA-N 371.820 4.335 0 40 FIAB CC(C)Cn1c(-c2ccc(F)cc2)cnc1S[C@@H]1CCCCNC1=O 12535308 MCQYOTHGOCRVTD-QGZVFWFLSA-N 361.486 4.106 0 40 FIAB Clc1ccccc1N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 12586156 LQSJTPVCJSFJJX-UHFFFAOYSA-N 370.909 4.160 0 40 FIAB Cc1cc2occ(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)c2cc1C 12789371 XWGDWHZJKJKSQO-UHFFFAOYSA-N 362.429 4.123 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2Cl)cc1 12790474 DXKGYQFSPCOQSM-GOSISDBHSA-N 362.832 4.263 0 40 FIAB Cc1cc(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)ccc1C(C)C 12807142 PMRKSWLTASBMJH-UHFFFAOYSA-N 366.465 4.462 0 40 FIAB O=C(NC1CC1)[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 12865411 IWTSYXMGPASMCB-MRXNPFEDSA-N 353.315 4.243 0 40 FIAB CC(C)Oc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 12974996 CCTKWRALDXOWMW-UHFFFAOYSA-N 366.505 4.390 0 40 FIAB COc1ccc(-c2cc(CC(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 13574329 LCGWFSSKAYFCOI-UHFFFAOYSA-N 356.809 4.493 0 40 FIAB COc1ccc(CC(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1 14092815 MXCJYGKEEVGIFP-UHFFFAOYSA-N 372.515 4.090 0 40 FIAB 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CSc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 13768602 BFZAORNMSTXTEO-JNCYCUAHSA-N 350.487 4.046 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 14141563 KAGITOKNRVFKHQ-QGZVFWFLSA-N 370.518 4.156 0 40 FIAB Cc1csc(N(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc2)n1 16045255 SVVJKFRWSDEFDS-UHFFFAOYSA-N 361.426 4.272 0 40 FIAB CCc1cc(OC(=O)COc2ccc(N3CCCC3=O)cc2)ccc1Cl 16961800 UCEWTZBODZVMCP-UHFFFAOYSA-N 373.836 4.014 0 40 FIAB C[C@H]1Cc2cc(-c3csc(NC(=O)CCc4ccncc4)n3)ccc2O1 19498238 VZZMPAPFLDYZSX-ZDUSSCGKSA-N 365.458 4.100 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1 21496977 VBXWQDFZTGJUIT-ZDUSSCGKSA-N 370.426 4.031 0 40 FIAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccco1 21902341 FZQYUBTWAIGQDC-UHFFFAOYSA-N 367.245 4.012 0 40 FIAB C[C@H](OC(=O)c1sccc1-n1cccc1)C(=O)c1c[nH]c2ccccc12 22888297 ROYRPPCVCPZULF-ZDUSSCGKSA-N 364.426 4.448 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2CN2CCCC2)cc1 24652031 HJDMOPGXJVIHOO-GOSISDBHSA-N 368.546 4.388 0 40 FIAB CN(Cc1ccc(OC(F)F)cc1)C(=O)NCCSc1ccccc1 26528946 ZCPTWNUCRHPNNS-UHFFFAOYSA-N 366.433 4.222 0 40 FIAB CCN(CC)[C@@H](CNC(=O)COc1ccc(C)cc1)c1ccccc1Cl 27579679 RRQBAJWYRXBABK-FQEVSTJZSA-N 374.912 4.227 0 40 FIAB Cc1ccc(OCC(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 27989062 WFTQIFIRQHGYHZ-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB O[C@H](CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1F 28915393 OHLSPYONVBTZHM-RDTXWAMCSA-N 356.466 4.348 0 40 FIAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(Cl)c2ncccc12 29692814 FZRPSJDETDQMJT-UHFFFAOYSA-N 368.780 4.103 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1CC 30754225 NLZFUSVZIPYPQI-QGZVFWFLSA-N 355.478 4.164 0 40 FIAB O=C(CCSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccccc1 32871038 ORDPYDITEVXTAA-UHFFFAOYSA-N 367.261 4.157 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 32909988 HAYUHYGGVZAKFI-UWJYYQICSA-N 365.473 4.129 0 40 FIAB Cc1cc2nc(Sc3nnc(-c4cccs4)o3)c3ccccc3n2n1 40071371 INOVVFRCKOVRRK-UHFFFAOYSA-N 365.443 4.454 0 40 FIAB CN(CCOc1ccccc1F)C(=O)Nc1cccc(OC(F)(F)F)c1 40104639 GNUOQHNRTPRCMF-UHFFFAOYSA-N 372.318 4.267 0 40 FIAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCCc4ccccc43)c12 40133902 PCZLIYINOMLCSU-UHFFFAOYSA-N 362.477 4.383 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 43669074 SWZPIGYTDCXBEA-CYBMUJFWSA-N 355.438 4.099 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2ccc(-n3cncn3)c(F)c2)c1 47244390 CMOHSZPSLUBFEE-UHFFFAOYSA-N 362.817 4.034 0 40 FIAB O=C(NCc1cccs1)Nc1nnc(SCc2ccccc2)s1 47463975 KTKPDWZLROUBJG-UHFFFAOYSA-N 362.505 4.214 0 40 FIAB O=C(Nc1nccs1)c1oc2ccccc2c1CSc1ncccn1 58216722 SEHSNIXKZCPYFK-UHFFFAOYSA-N 368.443 4.224 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(O)c1)C1CCC(O)CC1 58267985 OECCTUDYZWJJMH-UHFFFAOYSA-N 374.868 4.383 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)OCO2 58406007 WSGLWGPFPKRWLJ-KBPBESRZSA-N 357.793 4.014 0 40 FIAB O=C(/C=C/c1cscn1)Nc1ccc(NC(=O)N2CCCCCC2)cc1 58433621 DKNNLHDGSKVVJS-MDZDMXLPSA-N 370.478 4.203 0 40 FIAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 60322488 XMNJMHMDUJXNTP-CQSZACIVSA-N 356.432 4.078 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72349080 SGZFIEAQHRCIRP-SFHVURJKSA-N 361.420 4.303 0 40 FIAB COc1ccc([C@@H]2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C2)cc1 75166758 KMUJNPLBVPZRPW-OAHLLOKOSA-N 365.351 4.224 0 40 FIAB CCO[C@@H]1C[C@@H](NC(=O)Cc2csc(-c3ccc(C)o3)n2)C12CCCC2 76068031 RAJGTOIHTZFBNM-IAGOWNOFSA-N 374.506 4.108 0 40 FIAB COc1ccccc1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 79477203 KXGIGBNDPKTDCF-SFHVURJKSA-N 366.446 4.009 0 40 FIAB CCCCc1nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cs1 89954861 KWGLDRPSXRNYNM-WMLDXEAASA-N 352.450 4.072 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(CCOc3cccc(C)c3C)s2)cc1 95116408 FMXYHFBZPCYQDT-UHFFFAOYSA-N 367.474 4.337 0 40 FIAB COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 96190091 RCDPVIQFUHRVNC-CMDGGOBGSA-N 364.195 4.284 0 40 FIAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc2c(c1)OCCCO2 96223190 HJFCCNVSTPCNJR-GOSISDBHSA-N 362.429 4.137 0 40 FIAB CCOc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104529362 WHOJMYDRQPWBGW-MRXNPFEDSA-N 364.397 4.250 0 40 FIAB COC(=O)c1c(C)n(C(=O)COc2ccc(Cl)cc2C)c2ccccc12 216773042 XBSXAAYVZKVXLD-UHFFFAOYSA-N 371.820 4.417 0 40 FIAB O=C(O)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 216920544 KUQKCHHBAALDAE-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219356925 DRIMWGGNYOEYBY-RTBURBONSA-N 369.461 4.271 0 40 FIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)N1CCc2ccccc2C1 219454484 FJFXRNFVCKQLMB-UHFFFAOYSA-N 370.452 4.165 0 40 FIAB Cc1cccc(CSCC(=O)NCCOc2ccc(C)c(Cl)c2)c1 224182705 ARGJHVYPBYHVCK-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)N[C@@H](C)CC 225280876 ZYZNLXWGZVQBNY-NWDGAFQWSA-N 359.297 4.035 0 40 FIAB CCN(CC)CCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1 225628667 KXCMXQPZDRILDA-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB CC(C)(C)c1ccc(-c2noc(CNC(=O)Cc3ccc(F)cc3)n2)cc1 225715110 MSXCPGJKYAXYNY-UHFFFAOYSA-N 367.424 4.032 0 40 FIAB O=C(NCc1cccnc1-c1cccs1)c1nc2ccccc2s1 225759568 PLXJKBMCSGJQKU-UHFFFAOYSA-N 351.456 4.350 0 40 FIAB CCc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 225832788 AMLZLCUYYMCBJP-UHFFFAOYSA-N 372.881 4.439 0 40 FIAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccccc1C 226338012 LLHXSXXVRVOUTE-BQYQJAHWSA-N 371.824 4.372 0 40 FIAB CCc1ccc([C@@H](CC(=O)O)c2c(O)c3c(C)cc(C)cc3oc2=O)cc1 226758510 HLGPETVXXCCEBT-MRXNPFEDSA-N 366.413 4.284 0 40 FIAB Nc1ccc(/C=C/c2ccc(-c3ccccc3)cc2)c(S(=O)(=O)O)c1 255187539 FFQUJPVCKJZRCL-DHZHZOJOSA-N 351.427 4.353 0 40 FIAB Cc1cccc([C@H]2CCCN2C(=O)Nc2cn(C)nc2C(F)(F)F)c1C 331560047 PHQXUBJRYXHHKF-OAHLLOKOSA-N 366.387 4.425 0 40 FIAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Cl 409127028 CCQPDKITVKEHBZ-KBVGCWLLSA-N 369.870 4.200 0 40 FIAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCC(C)C)cc3)C2=O)c1 409235071 YMMSZZIAMNHCOR-UDWIEESQSA-N 364.445 4.123 0 40 FIAB O=C(Nc1ccc(Oc2cccnc2)cc1)N1CCOC[C@@H](C2CCC2)C1 568478355 HXKJGBADNNCEBA-KRWDZBQOSA-N 367.449 4.154 0 40 FIAB COc1cc(Cl)c(NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cc1C 585083968 DAGDJJYJSDEUSW-XOBRGWDASA-N 357.837 4.336 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCCn1nc(C2CC2)cc1C1CC1 585300363 XIBOBMQIPVJUQG-UHFFFAOYSA-N 374.872 4.122 0 40 FIAB COc1ccc(-c2cnc(NCc3nc4c(s3)CCCC4)n2C)cc1 651172220 FDZNWVSHDGPZQB-UHFFFAOYSA-N 354.479 4.043 0 40 FIAB O=C(NCc1ccc(Cl)s1)NCc1cccc(OC2CC2)c1F 660282443 YQASNOWZOKPRMG-UHFFFAOYSA-N 354.834 4.081 0 40 FIAB CC(C)Oc1ccc(NC(=O)c2cc(-c3c(F)cccc3F)no2)cn1 1534540134 KLAKFAMSUGTIGW-UHFFFAOYSA-N 359.332 4.054 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)c1ccccc1C(F)(F)F 1775965401 HQTJIUUTYWJNAD-ZDUSSCGKSA-N 365.307 4.022 0 40 FIAB c1ccc(CCN2CCC[C@@H](c3ccnc(Nc4nccs4)n3)C2)cc1 2037834740 JIKARUNEQMODPB-QGZVFWFLSA-N 365.506 4.099 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 660236 MZGPDHDKGVORTP-SFHVURJKSA-N 350.462 4.166 0 40 FIAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O 855981 SDHHZBJUXRILFJ-UHFFFAOYSA-N 373.364 4.066 0 40 FIAB COc1cccc(NC(=O)CSc2cc(Br)ccc2C)c1 938550 QMSJJKYDEXWCNO-UHFFFAOYSA-N 366.280 4.497 0 40 FIAB c1ccc(-c2c(-c3nnnn3-c3ccccc3)cnn2-c2ccccc2)cc1 1041332 MUSMIVMLLFSFAO-UHFFFAOYSA-N 364.412 4.182 0 40 FIAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccc2c(c1)OCO2 3120638 FLSNVJAZFWHMHU-DHIUTWEWSA-N 374.392 4.317 0 40 FIAB O=C(CSc1nnc2sc3ccccc3n12)Nc1cccc(Cl)c1 3229053 HPPULKMOPVIUEI-UHFFFAOYSA-N 374.878 4.328 0 40 FIAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1 3246127 KFBVOBSSVMIIJU-LLVKDONJSA-N 374.535 4.185 0 40 FIAB Cc1cc(C)n2nc(SCC(=O)c3ccc(Cl)cc3Cl)nc2n1 3327817 DXDAAQZVUOSUKY-UHFFFAOYSA-N 367.261 4.023 0 40 FIAB O=C(CCC1CCCC1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 3328190 CRHSMJASPSBBBF-UHFFFAOYSA-N 358.463 4.490 0 40 FIAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 3348684 LEZHRBQXUSOJLE-UHFFFAOYSA-N 374.868 4.290 0 40 FIAB Cc1ccccc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 3349500 POTAWMGVGGYQRC-UHFFFAOYSA-N 351.233 4.013 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C12CC3CC(CC(C3)C1)C2 4028110 CODAXLRJLVYQPK-MOHSUVDQSA-N 364.533 4.346 0 40 FIAB biogenic Fc1ccc([C@@H]2c3[nH]cnc3CCN2C(=S)Nc2cccc(F)c2)cc1 4033731 FAXHLROXTCWPTN-GOSISDBHSA-N 370.428 4.032 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4732045 NNKQBHFMETZZNY-LSDHHAIUSA-N 354.425 4.331 0 40 FIAB COc1ccc(Cl)cc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 5245081 WSJAAYQULLHJHS-UHFFFAOYSA-N 372.804 4.429 0 40 FIAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 5359280 XQTYXBGDNAHYRV-OAHLLOKOSA-N 367.474 4.118 0 40 FIAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc2oc3ccccc3c2cc1OC 5702678 WGPAOBFKMWHSSL-COBAKMAKSA-N 365.385 4.209 0 40 FIAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC 6224669 SGGPCQWSRYAYMP-KSSFIOAISA-N 356.422 4.188 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1N1CCCCC1 6250003 FVOVTARSTRMURY-UHFFFAOYSA-N 373.884 4.390 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccsc1)S[C@@H](C)C(=O)N2 6678980 KVOYIRFKTSBYDX-LRDDRELGSA-N 355.488 4.405 0 40 FIAB O=C(CSc1ccc2c(c1)CCC2)Nc1nc(-c2ccccn2)cs1 6822538 BNFJMLDCWOHCOO-UHFFFAOYSA-N 367.499 4.425 0 40 FIAB Cc1ccc(CNC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 6832879 JZWBITRLAIGBRT-QFIPXVFZSA-N 372.468 4.173 0 40 FIAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 6851542 JVEMGNLWDPYCNH-HNNXBMFYSA-N 374.469 4.487 0 40 FIAB O=C(COCc1cc(-c2ccco2)on1)Nc1ccc(Cl)c(Cl)c1 6876687 HLRASMQLPDBVJP-UHFFFAOYSA-N 367.188 4.397 0 40 FIAB COC(=O)c1cccc2c1N[C@@H](c1ccccc1OC)[C@H]1CCCO[C@@H]21 6955704 OBQABEHJKUPYDE-BPAFIMBUSA-N 353.418 4.116 0 40 FIAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3c(C)noc3C)ccc21 7056073 RSOGIBMWFXUUGX-UHFFFAOYSA-N 369.446 4.220 0 40 FIAB O=C(O)c1ccc(CNCc2ccc(OCc3cccs3)cc2)cc1 7523995 RBPPKWKJAQJNKM-UHFFFAOYSA-N 353.443 4.315 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1cccc(Cl)c1 7702028 WWZIVLTWIUNKHV-QGZVFWFLSA-N 363.891 4.469 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1N1CCCC1=O 8163172 QYYHDUPLXNKRLI-UHFFFAOYSA-N 363.461 4.056 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CCCC1 8184815 FBKBJSVYJHBFFJ-HNNXBMFYSA-N 365.502 4.310 0 40 FIAB CC(C)n1ncc2c(C(=O)N3CCc4ccccc4C3)cc(C3CC3)nc21 8342822 SLLZMWDZKOPJBO-UHFFFAOYSA-N 360.461 4.088 0 40 FIAB COc1ccc(-c2n[nH]c(SCCCC(=O)c3cccs3)n2)cc1 8344336 CSXDCLQMKBVWNV-UHFFFAOYSA-N 359.476 4.297 0 40 FIAB CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 8772569 PXYNFZZMUUNIAU-UHFFFAOYSA-N 365.458 4.007 0 40 FIAB O=C(NCCCCOc1ccccc1)c1cc(=O)c2cc(Cl)ccc2o1 9314193 HCACLGWSHBJMQK-UHFFFAOYSA-N 371.820 4.035 0 40 FIAB Cc1[nH]c(S[C@@H](C)C(=O)NCC2CCCCC2)nc1Cc1ccccc1 9946687 QVZPNJDEGJNWEK-INIZCTEOSA-N 371.550 4.486 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)ccc1Cl 10957611 PEZQPMMHPJZANC-UHFFFAOYSA-N 372.852 4.101 0 40 FIAB O=C(NCCOc1ccc(-c2cccs2)nn1)Nc1ccc(Cl)cc1 11694491 KULPNEGXDFQEBX-UHFFFAOYSA-N 374.853 4.059 0 40 FIAB C[C@@H](Sc1nnnn1C1CCCC1)c1nc2ccccc2n1C(F)F 12544442 JLMDHIBIDAMPKA-SNVBAGLBSA-N 364.425 4.386 0 40 FIAB O=C(NCCCn1ccc2ccccc21)c1ccccc1Br 12590561 GSUGRNRDFTVWNR-UHFFFAOYSA-N 357.251 4.224 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1OC[C@@H]1CCCO1 12749622 UYNVVDUIZLPCFN-HNNXBMFYSA-N 363.360 4.098 0 40 FIAB COc1ccc(-c2ccc(CCC(=O)NCc3ccccc3F)o2)cc1 12995637 KJOGIXYVVJWHAM-UHFFFAOYSA-N 353.393 4.343 0 40 FIAB O=C(NCC1(c2cccs2)CCCC1)c1ccc(Br)o1 13803160 RBSOWEOMPZECIA-UHFFFAOYSA-N 354.269 4.345 0 40 FIAB COc1ccc(CN(Cc2ccncc2)Cc2ccccc2F)cc1OC 13989914 QSAIFAQEVJIWJE-UHFFFAOYSA-N 366.436 4.440 0 40 FIAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccccc1 14201807 UOFHOXOLEWNODQ-UHFFFAOYSA-N 356.476 4.072 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 14492106 RIUOHPFVFUTCQG-UHFFFAOYSA-N 367.630 4.313 0 40 FIAB CCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](c1cccs1)C3 14607784 QTMYSFZUPVUDDX-AWEZNQCLSA-N 374.469 4.328 0 40 FIAB COC(=O)c1cccc(NC(=O)c2ccc(C3SCCS3)cc2)c1 14788346 FMEHLAZTESKPPN-UHFFFAOYSA-N 359.472 4.204 0 40 FIAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1cc2ccccc2o1 15040468 JRCWUVJXJIODAQ-NWDGAFQWSA-N 366.442 4.357 0 40 FIAB O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)Oc2ccc(F)cc21 15083915 XRUDZRXZKCYWEP-OAHLLOKOSA-N 354.164 4.105 0 40 FIAB Cc1cccc(C)c1NC(=O)NC/C(Br)=C\Br 17000213 ZPZSTIFMKDLCKK-UXBLZVDNSA-N 362.065 4.056 0 40 FIAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C2CCCC2)c1 19690461 MWESMGWAXZVGLS-HXUWFJFHSA-N 366.509 4.298 0 40 FIAB CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccccc1)C3 19890876 VEIPYXBCFGJUTL-UHFFFAOYSA-N 363.457 4.367 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20483667 WTYFFVGJOYYKGE-UHFFFAOYSA-N 365.477 4.129 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2Cl)c1 20486232 IAWRAEZFJYFNEX-NSHDSACASA-N 354.233 4.086 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc21 21896960 AWJOKBRANALJHZ-UHFFFAOYSA-N 363.244 4.084 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 22913039 FMWQXGUSVSDWLS-GJZGRUSLSA-N 359.491 4.370 0 40 FIAB C[C@H]1CCCN(C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C1 27325686 XCKQXESTHXLOSJ-HNNXBMFYSA-N 371.864 4.208 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 27541571 VHVFZYKNGDQSAX-CQSZACIVSA-N 369.490 4.154 0 40 FIAB Cc1ccc(SCCC(=O)NCc2ccccc2CN2CCCC2)cc1 30555891 RGYSTNMTVHUBRR-UHFFFAOYSA-N 368.546 4.389 0 40 FIAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1 32594195 MBAJINIXVGTZHX-UHFFFAOYSA-N 359.476 4.155 0 40 FIAB COc1ccc(Cl)cc1CC(=O)Nc1cc(NC(=O)C2CC2)ccc1C 32930673 NPECRIYFDCKYIK-UHFFFAOYSA-N 372.852 4.187 0 40 FIAB CSc1ccccc1NC(=O)[C@@H](C)Nc1ccc(NC(=O)C(C)C)cc1 33040048 MOZXWDOBCBWEIS-CQSZACIVSA-N 371.506 4.442 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1 36062680 JTWAERCUGSQZIR-WIYYLYMNSA-N 366.505 4.244 0 40 FIAB CCc1ccc(CNC(=O)c2cc(OC)ccc2Br)s1 36397819 NHGRKVUWPQADDG-UHFFFAOYSA-N 354.269 4.012 0 40 FIAB CCN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1C 37164580 YAYHYIIFLXDHOO-UHFFFAOYSA-N 359.853 4.405 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCCC2)cc1 38834555 VLSIHKCMTQVXRN-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB O=C(c1ccc(COc2ccccc2F)o1)N1CCOc2ccccc21 40133178 PSGHUJAYYHRCON-UHFFFAOYSA-N 353.349 4.037 0 40 FIAB CC(C)c1noc(COC(=O)c2cccnc2Sc2ccccc2)n1 45843019 QHKWEEBEFGDLCT-UHFFFAOYSA-N 355.419 4.096 0 40 FIAB O=C(CCOc1ccccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 46178520 XHDCTUBJUYLDBV-QGZVFWFLSA-N 369.852 4.349 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2ccn(-c3cccc(F)c3)n2)cc1 64555330 WYCMMEZGHAXPLL-OAQYLSRUSA-N 351.425 4.357 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc3ncccc3c2)cc1 72221826 JWXYJKZEERGNRB-NRFANRHFSA-N 366.486 4.459 0 40 FIAB Cc1nc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1Br 72305108 OZCABVAATLDGAI-UHFFFAOYSA-N 359.145 4.424 0 40 FIAB COc1ccccc1CN(CN1C(=O)C(C)(C)[C@H]1c1ccccc1)C1CC1 72312393 XBNCDPYCMZIOKH-OAQYLSRUSA-N 364.489 4.227 0 40 FIAB OC1=Nc2ncn(-c3ccc(F)cc3)c2[C@H](c2cccc(O)c2)SC1 79490677 URUDRGHDXMRLQY-KRWDZBQOSA-N 355.394 4.141 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NCC[C@@H](O)c1cc(C)oc1C 85561680 SIYVCRPRJZIDEN-LJQANCHMSA-N 367.445 4.302 0 40 FIAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1nnc(-c2ccsc2)s1 95365073 SWIZOXTZJBUABY-UHFFFAOYSA-N 366.471 4.239 0 40 FIAB c1ccc(CN(Cc2cccc(-n3cccn3)c2)CC2CCOCC2)cc1 95455419 PFOCBLJSRUXDEL-UHFFFAOYSA-N 361.489 4.301 0 40 FIAB O=C(c1ccc[nH]1)N1CCC2(CC1)C[C@H](c1cccnc1)c1ccccc12 96079260 PMQJTTKAORGSLC-LJQANCHMSA-N 357.457 4.119 0 40 FIAB Cc1ccc(C2=C[C@H](c3cccc(Cl)c3Cl)n3nnnc3N2)cc1 101093175 WUUPZRUJQKQPDZ-OAHLLOKOSA-N 358.232 4.344 0 40 FIAB CSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1=C(O)CC(C)(C)CC1=N2 102679714 JFHZRJRCGHNABM-HNNXBMFYSA-N 356.451 4.013 0 40 FIAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C2CCCCC2)cc1 102707668 UHPFMGZMAVKYRF-QIJZPMMNSA-N 363.457 4.267 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 103059442 JQTHEVSJBRFWGI-FIAIHSGVSA-N 360.523 4.067 0 40 FIAB O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc2ccccc2c1 222783534 SEHZISNIKHGRKB-UHFFFAOYSA-N 363.841 4.252 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Br)cc2F)cc1C 223477966 WCQRGNABGZTBFC-UHFFFAOYSA-N 352.203 4.086 0 40 FIAB O=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(-c2ccccc2)cc1 224206973 NFGCEYICIXQLJA-UHFFFAOYSA-N 372.472 4.064 0 40 FIAB COc1cccc2cc(C(=O)Nc3nnc(SCC(C)C)s3)oc12 225658597 GCSULVQPGFOVMM-UHFFFAOYSA-N 363.464 4.293 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1 225755152 GPZYELAULSDYMC-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB COc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225763656 XFIOVHAMQDITIB-KRWDZBQOSA-N 356.422 4.128 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3CCC[C@H](C)C3)c(C)cc2N)cc1 226331327 RICCCCXUJBAOPS-AWEZNQCLSA-N 353.466 4.074 0 40 FIAB Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)nc1 238821609 CTXYNCUYPFRLPK-CYBMUJFWSA-N 366.248 4.382 0 40 FIAB Cc1ccc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cc1Cl 253395904 CSOLXHXIGUQIBI-UHFFFAOYSA-N 360.841 4.101 0 40 FIAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)cc1 408611806 WRERTEIIMDWLCT-UHFFFAOYSA-N 360.479 4.097 0 40 FIAB O=C1CC[C@@H](C(=O)Nc2cccc(Cl)c2-n2cccn2)c2ccccc21 585080933 XWDAXEDEIPYDQP-OAHLLOKOSA-N 365.820 4.225 0 40 FIAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCCC(C)C)cc3C2=O)c1 797308 JAKODBWSGGUGRT-UHFFFAOYSA-N 365.429 4.307 0 40 FIAB Cc1cc2ncn(S(=O)(=O)c3ccc(Cl)cc3Cl)c2cc1C 836043 XVDBNVNNPAEBIN-UHFFFAOYSA-N 355.246 4.197 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 1510670 FEVCVWWTOOWOFW-YBEGLDIGSA-N 372.218 4.192 0 40 FIAB COc1ccc(-c2nnc3sc(CN4CCc5ccccc54)cn23)cc1 2724094 QSJQLDDCDAFCSM-UHFFFAOYSA-N 362.458 4.029 0 40 FIAB C[C@@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)C(C)(C)C 2782298 NDVDSKBVZJRMMI-SECBINFHSA-N 365.827 4.374 0 40 FIAB O=C(COC(=O)CCC1CCCCC1)Nc1ccccc1OC(F)F 3278816 VGTMVTZQJQMKFX-UHFFFAOYSA-N 355.381 4.130 0 40 FIAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccco1 3305348 FPCSTOKABRZNDB-HXUWFJFHSA-N 354.333 4.384 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 3350586 AKXDHWGVGBLNKW-UHFFFAOYSA-N 364.367 4.440 0 40 FIAB Cc1ccccc1NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)cs1 3351556 ZCNJHZMCAKLQRF-UHFFFAOYSA-N 352.415 4.028 0 40 FIAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC1CCCCC1 3393368 XBKKVAMDVZJNRO-UHFFFAOYSA-N 353.418 4.085 0 40 FIAB O=c1cc(CN2CCCc3ccccc32)nc2scc(-c3ccccc3)n12 3436693 KQYRUWMRXQTMCW-UHFFFAOYSA-N 373.481 4.376 0 40 FIAB COc1cccc(/C=C(/C(=O)O[C@H]2CCCCC2=O)c2ccccc2)c1 3448789 HKQNUHJNAJALAZ-DQYQWZCESA-N 350.414 4.291 0 40 FIAB CCSc1nnc(SCc2cc(=O)oc3cc(C)ccc23)s1 3546306 QRSPZKQWHMVKCO-UHFFFAOYSA-N 350.490 4.357 0 40 FIAB O=C(CCCOc1ccc(Br)cc1)NCc1ccc(F)cc1 3551595 WZAAEWHKIXKLJS-UHFFFAOYSA-N 366.230 4.064 0 40 FIAB Cc1cc(O)c2c(c1C=O)O[C@]1(C2)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C 3809582 UOIBNKXNAPXQNY-JEWZMFNGSA-N 372.505 4.420 0 40 FIAB biogenic CCCOc1cccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)c1 3999950 HJXPMFKSPYFNQR-MDRMPYQZSA-N 362.473 4.113 0 40 FIAB biogenic Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCC2)cc1C 4649025 ZZWDPSXDELAVEP-UYRXBGFRSA-N 368.502 4.195 0 40 FIAB COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1cccnc1 4999717 AZDBMOVAUSQQHQ-UHFFFAOYSA-N 369.852 4.007 0 40 FIAB CN(C)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 5879074 PTRPLVZZSMTYGQ-UHFFFAOYSA-N 353.647 4.421 0 40 FIAB CCCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 6657375 VPJSXIKOQNLEQL-XNTDXEJSSA-N 358.375 4.301 0 40 FIAB O=C(Nc1cccc(F)c1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 6772591 HMNQGYVEXVJOLE-HXUWFJFHSA-N 360.388 4.162 0 40 FIAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 7007855 TUIJSLWMWRXHSG-HSZRJFAPSA-N 374.415 4.016 0 40 FIAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)cc(C)c1O 7113476 YIUBDRNBOHYXPN-MRXNPFEDSA-N 350.340 4.138 0 40 FIAB CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c1C 7191955 ZXYQZUFDYGVBCT-UHFFFAOYSA-N 359.426 4.289 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1oc2ccccc2c1C 7405201 XJMALXYHNHGJMW-UHFFFAOYSA-N 350.418 4.069 0 40 FIAB CSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 7684275 FCBLCMVJJRBUIW-UHFFFAOYSA-N 353.447 4.039 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1cccc(F)c1 7723257 KEKYAQPYALXRPG-UHFFFAOYSA-N 363.414 4.361 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)s1 7799849 IBHUIBJUVPUJES-UHFFFAOYSA-N 356.476 4.020 0 40 FIAB Cc1occc1C(=O)O[C@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 7850848 FQUXHFLITHPPIA-CYBMUJFWSA-N 357.406 4.001 0 40 FIAB O=C1c2ccccc2N[C@H](c2cc(Br)ccc2F)N1C1CC1 7886145 IMQXOFAUIUESES-INIZCTEOSA-N 361.214 4.317 0 40 FIAB COCCc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 8188002 AOABZFNLAXFPTO-KRWDZBQOSA-N 363.457 4.285 0 40 FIAB C[C@@H](Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1)c1ccccc1 9095467 QDRDYQFRLXCYKA-ZDUSSCGKSA-N 355.438 4.205 0 40 FIAB CC(=O)c1csc(NC(=O)c2ccc(C3SCCS3)cc2)n1 9690721 ZMFXWNDBRICFDG-UHFFFAOYSA-N 350.490 4.077 0 40 FIAB c1ccc(-c2cnc(CSc3nnc(NC[C@H]4CCCO4)s3)o2)cc1 9885355 FBPVFGLKAHSIEM-CYBMUJFWSA-N 374.491 4.076 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2)o1 10032133 LEUZXFFDHBZXQV-CYBMUJFWSA-N 371.437 4.154 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)c1cc(Cl)cc(Cl)c1 10234956 BZEOEHQAKHZIII-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB Cc1cc(NC(=O)CCc2ccc3c(c2)OCO3)ccc1Br 10408825 NLGSUJKOZPTYFV-UHFFFAOYSA-N 362.223 4.058 0 40 FIAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1 12062957 IIQCQSJDFSDNSL-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2cc(-c3cccs3)on2)on1 12185249 YWSUSVIRZPIUJR-CQSZACIVSA-N 357.435 4.457 0 40 FIAB COc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@H](CC[C@@H]23)C4(Cl)Cl)cc1 12420926 NIXANVSFKYDSKY-UWCTXQHWSA-N 354.277 4.490 0 40 FIAB CCC[C@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 12981235 AXTAZMOFPYWEEF-JTQLQIEISA-N 359.779 4.463 0 40 FIAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1cccc(C(F)(F)F)c1 13012065 YZPUGWRQWRWXGK-CQSZACIVSA-N 373.378 4.311 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc2c(Cl)cccc2[nH]1 13022094 PHGZNIMEVGWEQP-UHFFFAOYSA-N 364.836 4.279 0 40 FIAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(Cl)c1 14231063 VDAZOPRQHPHOOG-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)C1CCCCC1 19570918 LSOJKVAMOGVHHC-LJQANCHMSA-N 367.493 4.014 0 40 FIAB Cc1nn(C)c(C)c1C[C@H](C)n1cncc1-c1ccc2c(c1)CCCN2C 19720034 RVVUWWCPVDSZIO-HNNXBMFYSA-N 363.509 4.087 0 40 FIAB Cc1csc(SCC(=O)Nc2nc(-c3cccs3)cs2)n1 19849711 OHIJANYMSWVOCW-UHFFFAOYSA-N 353.519 4.367 0 40 FIAB CCOc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c(C)c1C 19943809 ZCKRWCOPKWCSIH-UHFFFAOYSA-N 370.474 4.111 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1cc(C)c(C)cc1C 22540369 AOQOUUXNEOCOSY-AWEZNQCLSA-N 367.898 4.313 0 40 FIAB COc1cccc(Cc2cnc(NC(=O)Cc3ccc(C)cc3)s2)c1 23489885 WQLYOENSFMUJJN-UHFFFAOYSA-N 352.459 4.232 0 40 FIAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 28289329 OELLICYZFWPEPU-NRFANRHFSA-N 368.521 4.090 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30029420 XDBXOPBQVMVUPU-DNVCBOLYSA-N 374.937 4.336 0 40 FIAB Cc1ccc(-c2nc(CSCC(=O)NCC(F)(F)F)cs2)cc1 31411860 QXAIVNFWSRZWBL-UHFFFAOYSA-N 360.426 4.030 0 40 FIAB O=C(NCC1(c2ccccc2)CCCC1)c1ccc(N2CCCC2=O)cc1 32857516 KJBWANFRRXNEQU-UHFFFAOYSA-N 362.473 4.055 0 40 FIAB CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@H]1c1ccccc1 34524567 VKLNFUJWXOUCAJ-IBGZPJMESA-N 366.486 4.457 0 40 FIAB COc1ccc2c(c1)[C@@H](C)N1C(=O)c3cc(Br)ccc3[C@@H]1O2 35324734 WHKBCPQATIEFFO-XLFHBGCDSA-N 360.207 4.066 0 40 FIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(C)c(F)c1 41077003 KQVRHCIUDDMEAF-UHFFFAOYSA-N 353.397 4.030 0 40 FIAB Cc1c(Cl)cccc1NC(=O)N(C)Cc1cc(=O)[nH]c2ccccc12 41077079 DZOKHJXDNUIOGQ-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)COc1ccc(C(C)C)cc1 47320434 HDHWNWSGILHDHQ-UHFFFAOYSA-N 351.406 4.186 0 40 FIAB CN(C)C(=O)[C@@H](N[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1 48309617 NUBLQVYZLHNSQV-GOTSBHOMSA-N 358.485 4.390 0 40 FIAB CN(C)c1ccc(-c2nnc([C@H]3CCN(CC4CCCCC4)C3)o2)cc1 49170194 QOYXDWGHTCQSSH-SFHVURJKSA-N 354.498 4.172 0 40 FIAB biogenic,in-vitro CCOc1ccc(-c2cc(C(=O)N3CC=C(c4ccccc4)CC3)n[nH]2)cc1 51315711 GDMYMANRLLUEAO-UHFFFAOYSA-N 373.456 4.405 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53477783 ZYXTUUNYVQWDTD-QGZVFWFLSA-N 373.378 4.488 0 40 FIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cnc2ccccc2c1 62580019 DCRVUESDTYDUHZ-OAQYLSRUSA-N 360.461 4.193 0 40 FIAB CCOC(=O)N1CCC(Nc2ccc(Cl)c(Br)c2)CC1 94668063 BFSMQQSNGHFTSA-UHFFFAOYSA-N 361.667 4.135 0 40 FIAB COCCn1c(C(=O)NC2CCCCCC2)cc2c1c1ccccc1n2C 96037248 DDGZJBACNAWBCA-UHFFFAOYSA-N 367.493 4.232 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N=C2CC(C)(C)CC(O)=C21 96775069 NWBUNWFQCQGDBQ-NSHDSACASA-N 360.841 4.207 0 40 FIAB Cc1nn(CCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c1[C@H]1[C@@H](C2)C1(C)C 100745303 QMDLUNXWUGBDBI-JAVNYVMFSA-N 369.553 4.305 0 40 FIAB biogenic O=C(OC1[C@H]2CC[C@H]1[C@H]1CN(CCc3ccccc3)C[C@H]21)c1ccccc1 103128751 MWVAYBRVMWOVBX-FNAHDJPLSA-N 361.485 4.043 0 40 FIAB CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1 105294403 OKSBTXFKAFWJRO-USNPWTNRSA-N 358.532 4.155 0 40 FIAB O=C(NCc1ccn(C2CCCC2)n1)N1CCCCC[C@H]1c1ccco1 152264304 NAAOPHZANCRHJK-SFHVURJKSA-N 356.470 4.418 0 40 FIAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 216256175 JSJHHBAQRZCXQJ-OAQYLSRUSA-N 351.471 4.204 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)COc1ccc(C)cc1 219330404 JJVFNVAVQNRHFF-RXVVDRJESA-N 355.478 4.353 0 40 FIAB COc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219452629 BSFJNMMPYNFFIG-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC)cc1 222912897 KEDIELUAMPAECA-FQEVSTJZSA-N 355.478 4.467 0 40 FIAB CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 224000875 OZMASDBSZDHMAR-UHFFFAOYSA-N 374.506 4.023 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(C)cc2)cc1 224620861 PXWGTBMVDMIQGH-OAQYLSRUSA-N 355.478 4.300 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCC1 225706702 IIETXEJLYGIMCN-UHFFFAOYSA-N 374.525 4.085 0 40 FIAB COc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1Cl 225782356 FWAFCXGDPAYOES-GFCCVEGCSA-N 350.871 4.103 0 40 FIAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2sncc2c1 225859061 DZCWEYHLXZSFDG-UHFFFAOYSA-N 352.444 4.376 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1C 225873722 NHMPONACUFXEDW-OAHLLOKOSA-N 367.445 4.066 0 40 FIAB Cc1cc(N)c(NC(=O)COc2ccc(Br)cc2)cc1Cl 226359004 WHKADWKWYAKPOE-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB Cc1cc(Nc2cccc(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)[nH]n1 257221710 DQFAUJVQNXKPIH-UHFFFAOYSA-N 371.485 4.046 0 40 FIAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc(=O)c2ccccc2o1 390826090 BFWQHAAAJBMJSZ-SFHVURJKSA-N 367.451 4.435 0 40 FIAB Cc1ccc(-c2ccc(OC(=O)c3cccc(Br)c3)nn2)cc1 408528529 IXVXRNPSNUOTNJ-UHFFFAOYSA-N 369.218 4.434 0 40 FIAB CCOc1ccc(Br)cc1CNc1cccc(C(=O)O)c1 408614190 ZOOWVDYPYACHBG-UHFFFAOYSA-N 350.212 4.158 0 40 FIAB C[C@]1(CNC(=O)c2ccsc2C(F)(F)F)OCCc2sccc21 529405260 ZUFDMXTVIZBNBA-CQSZACIVSA-N 361.410 4.046 0 40 FIAB C[C@@H](NCCCCN(C)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 532479215 YVKHZCOKLRWTMZ-QGZVFWFLSA-N 351.494 4.139 0 40 FIAB O=C(c1ccc2[nH]ccc2c1)N1CCC2(CCN(Cc3ccccc3)CC2)C1 562118324 QWQIPNZUWQEOBD-UHFFFAOYSA-N 373.500 4.296 0 40 FIAB Cc1ccc(C(=O)N2CC3(CCOCC3)c3cc(-c4cccnc4)ccc32)o1 1565541880 HXDWTCXYEBEEND-UHFFFAOYSA-N 374.440 4.359 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C)c(C)c3)o2)cc1 928198 QVGHETGCXMUUDT-UHFFFAOYSA-N 354.431 4.337 0 40 FIAB O=c1c2ccccc2c(-c2ccccc2)nn1-c1ccc(C(F)(F)F)cn1 944311 XQOUBMVROFAKNW-UHFFFAOYSA-N 367.330 4.467 0 40 FIAB O=C1CS[C@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1402966 XXYCADMQCZUZFE-OAHLLOKOSA-N 352.242 4.341 0 40 FIAB Cc1ccc(NC(=O)Nc2snnc2C(=O)Nc2cccc(C)c2)cc1 1416798 ZYPMYRDLMOVQFM-UHFFFAOYSA-N 367.434 4.051 0 40 FIAB CC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN1CCCC1 2037163 XPSOFSIDLMRECY-WMZHIEFXSA-N 351.490 4.420 0 40 FIAB in-man CCCCC(=O)NC(Nc1ccccc1OC)(C(F)(F)F)C(F)(F)F 3114451 JCCYLJNSNPRXGN-UHFFFAOYSA-N 372.309 4.234 0 40 FIAB CCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)c(C)c2oc1=O 4042990 KFBWNOJPYWKAND-UHFFFAOYSA-N 366.413 4.243 0 40 FIAB biogenic CC(=O)Nc1sc2c(c1[C@H](c1cccnc1)N1CCCC1)CCCC2 4193657 BIYGJTHCMFLRFT-IBGZPJMESA-N 355.507 4.166 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 4690569 VSZSEPYIWPZUAL-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2cccs2)c1 5704401 OUKXSTLACQJQBQ-UHFFFAOYSA-N 356.447 4.204 0 40 FIAB Cc1cc(OCC(=O)NCCC2=CCCCC2)ccc1Br 5960212 IWNALNBEYNJMJN-UHFFFAOYSA-N 352.272 4.143 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-n2cccn2)cc1 6647190 TXSCDDBKPANGHM-UHFFFAOYSA-N 353.425 4.392 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3cccs3)n2)cc1 6880824 AYJRTVRRIQXPDA-UHFFFAOYSA-N 371.487 4.401 0 40 FIAB O=C1CCCC[C@H]1Sc1nc2sccc2c(=O)n1-c1ccccc1 6907537 YPSICDSFCHQUNW-OAHLLOKOSA-N 356.472 4.051 0 40 FIAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(OC)c1Br 7071417 UZZJZCISPVEWDG-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB O=c1[nH]c(CNc2ccc(F)cc2)nc2scc(-c3ccccc3)c12 7321530 XSVYZMNKSLBAGT-UHFFFAOYSA-N 351.406 4.403 0 40 FIAB CCc1nnc(NC(=O)c2cccnc2Sc2ccc(C)cc2)s1 7347476 LVLFHPWNHBLUPZ-UHFFFAOYSA-N 356.476 4.207 0 40 FIAB COc1ccc(-c2nc(C(=O)NC3CCCCCC3)cs2)cc1OC 7461209 VWROBFDRVUCDOP-UHFFFAOYSA-N 360.479 4.280 0 40 FIAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886321 ZFLSKPWCUCJFSE-FQEVSTJZSA-N 352.434 4.213 0 40 FIAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccco1 8326223 WRXARNWEISTDDS-INIZCTEOSA-N 372.428 4.077 0 40 FIAB C[C@@H]1CCc2c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)csc2C1 8395545 CENZCRJAIHRALX-SNVBAGLBSA-N 374.531 4.164 0 40 FIAB Cc1nc(SCC(=O)Nc2ccc(F)cc2)cc(-c2ccccc2)n1 12016617 IHNJYZRBJYNOBX-UHFFFAOYSA-N 353.422 4.322 0 40 FIAB C[C@H]1C[C@@H](C)CN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 12227191 SRXFMZPEYZDFJX-IYBDPMFKSA-N 370.497 4.321 0 40 FIAB CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 12539640 XQDZFCWYXQAWOW-OAHLLOKOSA-N 353.853 4.074 0 40 FIAB Cc1c(C)c(C)c(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c(C)c1C 12563041 MQYRALSNXUDBCG-IBGZPJMESA-N 358.507 4.150 0 40 FIAB O=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl 12736386 NQCIBCWVBIPOIK-LLVKDONJSA-N 356.180 4.330 0 40 FIAB Cc1ccc(CNC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1 12769791 NGOYRJYIOSNAAH-UHFFFAOYSA-N 353.491 4.162 0 40 FIAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc(OC)c2)cc1 12866411 JSDHSZVBYUZCNX-NRFANRHFSA-N 368.477 4.260 0 40 FIAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCc4sccc4C3)o2)cc1 12977248 SZQSWPLUHCPQKX-UHFFFAOYSA-N 351.427 4.409 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 13689097 XMGPTDIEESMEEI-HNNXBMFYSA-N 363.413 4.423 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)NCCc1nc2ccccc2s1 14119698 XYIVEPAHIUSXQF-UHFFFAOYSA-N 364.392 4.217 0 40 FIAB CCOc1ccc([C@@H]2CCCN2Cn2nc3ccccn3c2=S)cc1 14187214 UECSBONMVQPGID-KRWDZBQOSA-N 354.479 4.059 0 40 FIAB CCOc1ccc(/C=C/c2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 14199123 OBHRWBLNHHLTBS-KPKJPENVSA-N 357.431 4.191 0 40 FIAB CCc1noc(C)c1C(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 16274650 UYHYPMBWQQKPRM-UHFFFAOYSA-N 350.418 4.397 0 40 FIAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 16865793 NGNQFOYCXJSQQA-ZCFIWIBFSA-N 367.805 4.330 0 40 FIAB CC(C)c1ccc(OC[C@H](O)Cn2c(C3CC3)nc3ccccc32)cc1 16903729 FFCBFEQHRKPFJW-GOSISDBHSA-N 350.462 4.477 0 40 FIAB Cc1cccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)c1 18068837 BRRMEPQZLOZDNG-SFQUDFHCSA-N 361.426 4.092 0 40 FIAB c1cncc(CNc2nnc(-c3ccsc3)c(-c3ccsc3)n2)c1 19339714 DLLUQYVPTWZJSQ-UHFFFAOYSA-N 351.460 4.336 0 40 FIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 19943217 XCCHDHWJYUGYLZ-KBPBESRZSA-N 373.946 4.494 0 40 FIAB COc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1-c1ccc(CO)o1 20138777 FZMJHTNDDWCOJS-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2c(F)cccc2F)cc1OC 20452749 HAVGOSBEQZHNCL-SNVBAGLBSA-N 353.390 4.101 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1C 22255149 WKGRTYSHVONYBI-UHFFFAOYSA-N 362.476 4.113 0 40 FIAB O[C@@H](c1ccccc1)C1CCN(c2ncnc3cc(Cl)ccc23)CC1 22760577 PXZVRKFBAKYRQB-IBGZPJMESA-N 353.853 4.233 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N(C)C 23713741 KGSFLHCDQRMGJZ-LJQANCHMSA-N 354.494 4.025 0 40 FIAB biogenic CC(=O)c1cccc(OS(=O)(=O)c2ccccc2-c2ccccc2)c1 32755333 VUSWNTXAKLJVQU-UHFFFAOYSA-N 352.411 4.324 0 40 FIAB Cc1noc(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 40040610 QICZFBRZOCFAAP-UHFFFAOYSA-N 350.378 4.188 0 40 FIAB O=C(NCCc1cccc2cccnc12)C1=Cc2cc(Cl)ccc2OC1 40042691 FWOCNFZFMIODML-UHFFFAOYSA-N 364.832 4.023 0 40 FIAB COCCOc1ccc(NC(=O)c2sc3ccccc3c2Cl)cn1 40086947 GAULFXAQZMTBKH-UHFFFAOYSA-N 362.838 4.227 0 40 FIAB Cc1c(C(=O)Nc2ccc(OCC(F)(F)F)cc2)oc2c1C(=O)CCC2 40132192 YNSDGBQLPGVXTC-UHFFFAOYSA-N 367.323 4.300 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1c(C)oc2ccc(OC)cc12 48291080 JKURETDGTIBMNZ-UHFFFAOYSA-N 367.401 4.141 0 40 FIAB O=C(CSc1ccccc1O)Nc1ccc(Br)cc1F 50046630 MSBNKFIWDXFQLT-UHFFFAOYSA-N 356.216 4.025 0 40 FIAB Cc1[nH]c2c(C(=O)Nc3cc(F)cc(N4CCOCC4)c3)cccc2c1C 58357033 FKBFWSIQPADZMO-UHFFFAOYSA-N 367.424 4.013 0 40 FIAB Cc1nc(COc2cccc(C(=O)N(CC(F)(F)F)C3CC3)c2)cs1 58363970 BOLBCRTZPFSAPN-UHFFFAOYSA-N 370.396 4.197 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2cnccc2Oc2ccccc2)c1 58434728 AECCARXZFLVBID-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(C)o3)nc2C)no1 65402306 SJJWBJYSWNNHIV-UHFFFAOYSA-N 374.466 4.021 0 40 FIAB C[C@@H](CNC(=O)c1cc2sc3ccccc3c2s1)CN1CCCC1=O 65521269 XNTCXCQPVYPWGU-LBPRGKRZSA-N 372.515 4.104 0 40 FIAB Cc1ccc(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)cc1 67206854 FSVXUOXOGPRWFE-UHFFFAOYSA-N 360.457 4.300 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)NCc3cc(-c4ccccc4)on3)c2)cs1 69707778 KPVUPQBLDMYYPD-UHFFFAOYSA-N 364.430 4.032 0 40 FIAB Clc1ccc(/C=C/c2nn3c(CN4CCCCCC4)nnc3s2)cc1 71260614 ADCFHGRVZZNVKZ-JXMROGBWSA-N 373.913 4.386 0 40 FIAB COc1ccc(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cc1Cl 72302642 XZRXAYYPHJGXQF-UHFFFAOYSA-N 372.852 4.183 0 40 FIAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1C 72333816 PRYVDUTWEXAGRP-UHFFFAOYSA-N 366.244 4.083 0 40 FIAB COc1ccccc1CN1CCC[C@H](c2nnc(-c3cccs3)o2)C1 72390083 XZLYCPOVDSDBCS-HNNXBMFYSA-N 355.463 4.186 0 40 FIAB CCOC(CCn1c(COc2ccccc2)nc2ccccc21)OCC 76556450 QOBKBHFXTLLSOV-UHFFFAOYSA-N 354.450 4.405 0 40 FIAB C[C@H](CNc1ccccc1)NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 79110561 RTTJHVKEDUJOAT-OAHLLOKOSA-N 367.449 4.350 0 40 FIAB Cc1nc(-c2ncccn2)sc1C(=O)O[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C 95364747 GVHZIUTZYULEME-AHLTXXRQSA-N 357.479 4.136 0 40 FIAB COc1cc(CN[C@@H](C)C(=O)OC(C)(C)C)c(-c2ccccc2)cc1OC 95997161 FJSGRESNPABWML-HNNXBMFYSA-N 371.477 4.191 0 40 FIAB CC1=C(C(=O)OCCCc2ccccc2)[C@H]2C[C@](C)(N1)Oc1ccccc12 101521068 YZKAXRSPQMHINO-WMZHIEFXSA-N 363.457 4.322 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc(F)cc2)CC1 194472372 PFAHOJPHVMCPQS-UHFFFAOYSA-N 360.860 4.069 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1 216455069 BXWCOJITEJPYRM-GOSISDBHSA-N 355.434 4.276 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 219298621 LPABHJFYINSICD-ROUUACIJSA-N 355.478 4.469 0 40 FIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1C 224284451 FYRMAUCAUWALGS-UXHICEINSA-N 362.502 4.214 0 40 FIAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225603021 RBROHHGBHQVTFE-UWJYYQICSA-N 362.514 4.084 0 40 FIAB C[C@@H](COc1ccccc1)NC(=O)CSCc1ccc(Cl)cc1F 225770325 UZGJSZJCRFLNCU-ZDUSSCGKSA-N 367.873 4.296 0 40 FIAB C[C@H](O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 226274248 GIMSDMCVCUOOMW-VIFPVBQESA-N 354.631 4.408 0 40 FIAB COc1ccc(NC[C@H](O)CN2c3ccccc3[C@@H]3CCCC[C@H]32)cc1 248146286 XDAVWKLHIMQTGM-RBDMOPTHSA-N 352.478 4.014 0 40 FIAB CSCC[C@@H](C(=O)NCc1cccc(-c2nccs2)c1)n1cccc1 575443960 DDNCDLRVUUCSDU-KRWDZBQOSA-N 371.531 4.222 0 40 FIAB O=C(NCC[C@H](CCO)c1cccs1)c1csc(-c2ccccc2)n1 575619391 DOLANRXXAZEHPZ-CQSZACIVSA-N 372.515 4.158 0 40 FIAB O=C(Nc1nc([C@@H]2CCCN2Cc2ccccn2)cs1)c1ccccc1 585268831 ZYFRPXGXMJTYLT-SFHVURJKSA-N 364.474 4.128 0 40 FIAB CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCC2 822250 HUNPNGZNMABNTD-UHFFFAOYSA-N 357.475 4.375 0 40 FIAB O=C(c1cc(Oc2ccc(Cl)cc2)nc2ccccc12)N1CCOCC1 868217 ZBFBAQUKLHVCAN-UHFFFAOYSA-N 368.820 4.153 0 40 FIAB CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(OCC)cc12 917183 HRPWSIJDOSAFPH-UHFFFAOYSA-N 368.458 4.351 0 40 FIAB CCN(C1=C(Cl)C(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1 944186 VVTRJBIEDNBJMF-UHFFFAOYSA-N 361.228 4.190 0 40 FIAB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1ccccc1Cl 1012585 XSPMYTVVBYTOON-PXNMLYILSA-N 373.817 4.305 0 40 FIAB Cc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1 2183285 ZWRLUYUQXUJYHG-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(Cl)cc1Cl)CC2 3136065 AQNJOIDHJMQRLM-UHFFFAOYSA-N 366.244 4.209 0 40 FIAB Cc1csc(NC(=O)CCCOc2ccc(Br)cc2)n1 3561991 PKEVKFMASNCDTJ-UHFFFAOYSA-N 355.257 4.012 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)CSc3ccc(F)cc3)nc2C1 4496707 IBNJIVWWBZXMEY-UHFFFAOYSA-N 364.467 4.168 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1cccc(Br)c1 4589235 VCKMOORMALPLNN-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268834 KLDWOTHYRPFHEO-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N1CCCC1=O 5440652 KPQVXEVVSHCNKE-UHFFFAOYSA-N 352.434 4.161 0 40 FIAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5860919 XZXLZXHFZZARQE-SNVBAGLBSA-N 357.353 4.259 0 40 FIAB O=C(c1cc2ccccc2cc1O)N1CCN(c2cccc(Cl)c2)CC1 5940384 KBVCRGXPVYDISE-UHFFFAOYSA-N 366.848 4.161 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6714290 CDKGJKSUPNOYND-UHFFFAOYSA-N 356.809 4.063 0 40 FIAB Cc1ccc(NC(=O)[C@H](Sc2nc(C)cc(N)n2)c2ccccc2)cc1 7048493 VYZWKAAHMFWZKP-GOSISDBHSA-N 364.474 4.148 0 40 FIAB COc1ccc(-c2nnc(NC(=O)CSCc3ccccc3)s2)cc1 7345113 RQYHTMSPRPAIOA-UHFFFAOYSA-N 371.487 4.086 0 40 FIAB C[C@@]1(C(=O)Nc2ccccc2Cc2ccccc2)Cc2ccccc2C(=O)O1 7398674 XBUXGYUOJQRCOH-DEOSSOPVSA-N 371.436 4.388 0 40 FIAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(Cl)c(Cl)c1 7602068 MTSWRIAWRNIGLS-UHFFFAOYSA-N 352.250 4.053 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](c2ccc(C)cc2)c2cccs2)cc1 7702379 XJWACIYVVVGAKT-LJQANCHMSA-N 373.499 4.133 0 40 FIAB Cc1cccc(Oc2ccc(NC(=O)CCN3CCSC3=O)cc2)c1 8114887 DVONYWQQAOVMNI-UHFFFAOYSA-N 356.447 4.285 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N1CCCC1 8184821 FBKBJSVYJHBFFJ-OAHLLOKOSA-N 365.502 4.310 0 40 FIAB C[C@@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1ccccc1 8193157 WFUTWPLVGUEYJH-DYVFJYSZSA-N 350.447 4.181 0 40 FIAB CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@H]1C 8637651 QLRZGUBJCXPDGG-LECXIGBMSA-N 367.574 4.255 0 40 FIAB O=C(Nc1cccnc1Cl)c1ccc2nc(-n3cccc3)sc2c1 9051508 NAVNDALITFGQQT-UHFFFAOYSA-N 354.822 4.388 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCCN(Cc2ccc(F)cc2)CC1 10258801 YHAGRPKZKWASFE-UHFFFAOYSA-N 361.848 4.219 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)NCCSCc1ccccc1F 10280359 YILNBISAVUWDIQ-OAHLLOKOSA-N 363.523 4.497 0 40 FIAB CCc1[nH]c2ccc(C(=O)NCCc3nc(-c4ccccc4)no3)cc2c1C 12198280 NTAAYFLCNRXKTH-UHFFFAOYSA-N 374.444 4.061 0 40 FIAB COc1ccc(-c2cc(CNC(=O)c3ccccc3SC)no2)cc1 12638375 KJIIRPQEUMUVKG-UHFFFAOYSA-N 354.431 4.002 0 40 FIAB Cc1cc(OCC(=O)Nc2ccccc2N2CCCC2=O)ccc1C(C)C 12762409 KEPPYUVMSCJIGY-UHFFFAOYSA-N 366.461 4.263 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1cccc2cn[nH]c12)c1ccccc1Cl 12781783 GSYQMZCVAHUYIV-GOSISDBHSA-N 370.884 4.029 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)cc1 12947072 QBRYQQBCRNHUKO-RDJZCZTQSA-N 354.450 4.284 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc(OCC)c(OC)c1)O[C@@H](C)C2 12995554 LPHKKYBUDSVZHN-ZDUSSCGKSA-N 371.433 4.068 0 40 FIAB CC1(C)Cc2sc3c(=O)n(Cc4ccc(Cl)cc4)cnc3c2CO1 13727753 JFSDXKCDJKLMNT-UHFFFAOYSA-N 360.866 4.011 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14019846 HMDLZYVERIQKAP-CYBMUJFWSA-N 363.417 4.035 0 40 FIAB CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccncc3)n2C)c1C 14170298 PIOZSXPCIQNZEV-UHFFFAOYSA-N 366.490 4.297 0 40 FIAB CCC(=O)c1ccc(OCC(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1 14254972 CFLZVVKFCUTBIT-QGZVFWFLSA-N 373.449 4.151 0 40 FIAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(F)c3)nc12 14257659 RIIRNGKTJBNDSA-UHFFFAOYSA-N 359.451 4.179 0 40 FIAB C[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)c1ccc(F)c(F)c1 14675407 VLHKNFHCRIOECL-ANYFNZRUSA-N 373.380 4.402 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Nc3c(C)cccc3C)c(=O)oc2c1 14682860 JAZVQFACXPBGNK-UHFFFAOYSA-N 365.429 4.298 0 40 FIAB COc1cc2c(cc1O)C(=O)[C@H](C)[C@@H](C)[C@H]2c1ccc(OC)c(OC)c1 14726860 DRKPZVVNEGETTG-HTGLOVNISA-N 356.418 4.018 0 40 FIAB biogenic,in-vitro O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccccc1F 15422152 CGIVTDAWLVNVLL-UHFFFAOYSA-N 350.187 4.190 0 40 FIAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccccc1Cl 17073726 CXQMFEFIDGOCMW-UHFFFAOYSA-N 356.834 4.326 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(NC(=O)c3cccs3)cc2)o1 17957467 HRARQMTZNPZXLF-UHFFFAOYSA-N 354.431 4.174 0 40 FIAB COc1ccccc1OC(=O)Cc1csc(COc2ccc(C)cc2)n1 18185572 BNQUAWHDIBTYGL-UHFFFAOYSA-N 369.442 4.187 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCN2Cc2ccc(F)c(F)c2)c1C 19558075 ZYVFPLWIRDLHMM-KRWDZBQOSA-N 358.392 4.297 0 40 FIAB CC(C)c1csc(NC(=O)c2cc(COc3ccc(F)cc3)on2)n1 19714653 PCCXHTOBJSXMKQ-UHFFFAOYSA-N 361.398 4.225 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20112190 QKTVKDFLIYOVQS-INIZCTEOSA-N 368.477 4.354 0 40 FIAB Clc1ccc(COc2cccc(CN[C@H]3CN4CCC3CC4)c2)cc1 20477048 UVFIQQYYYZCSKJ-NRFANRHFSA-N 356.897 4.103 0 40 FIAB CN(c1ccc(OCc2ccc(F)cc2)cc1)S(=O)(=O)c1ccccc1 20833457 QLNGABNDCCNOAD-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB O=C(Nc1cccc2cccnc12)c1cc(=O)c2cc(Cl)ccc2o1 21552337 IAMKEYYLZVJBHT-UHFFFAOYSA-N 350.761 4.247 0 40 FIAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(Br)cc1 22783964 XJCNDGXHTKEXLE-CQSZACIVSA-N 356.267 4.486 0 40 FIAB Brc1csc(CNC[C@H](c2ccco2)N2CCCC2)c1 23257936 CSDJFRMYZSIYRR-CQSZACIVSA-N 355.301 4.030 0 40 FIAB Cc1cc(C)c(NC(=O)c2ccc(Cn3ccccc3=O)o2)c(Cl)c1 23748393 UDEAJCHBBFLSQB-UHFFFAOYSA-N 356.809 4.012 0 40 FIAB O=c1oc2ccccc2n1CN1CCc2sccc2[C@@H]1c1cccs1 23855641 BHRLVRJDFWDGAM-GOSISDBHSA-N 368.483 4.323 0 40 FIAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)no2)cc1 27580051 FLPTZINKCRSGNQ-UHFFFAOYSA-N 368.389 4.010 0 40 FIAB CC(=O)NCCc1ccc(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)cc1 31800372 WULWIKCKROTBLH-NRFANRHFSA-N 366.505 4.273 0 40 FIAB CCCCCC(=O)Nc1cc(Br)c(O)c(Br)c1 32116661 VPSRAWSNCRDMGU-UHFFFAOYSA-N 365.065 4.436 0 40 FIAB CC[C@@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3)cc2C1 32707931 VKXMISGXUUOCQT-UONOGXRCSA-N 357.475 4.447 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N1CCSc2ccc(Cl)cc21 32809777 POYYTNXFMZKUGA-DHZHZOJOSA-N 351.880 4.253 0 40 FIAB CCc1nc(C)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)sc2n1 32831201 LPWWKELORSZUIF-UHFFFAOYSA-N 360.870 4.358 0 40 FIAB O=C(Nc1ccccc1Cl)c1cc(=O)c(OCc2ccccc2F)co1 36366221 FXVRLPXVQJAOCC-UHFFFAOYSA-N 373.767 4.264 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Cl)c1 38500749 WJXZFSMSTHZMAJ-UHFFFAOYSA-N 359.788 4.316 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1Cl 38753239 HTNGRVKJYSSISU-MRXNPFEDSA-N 361.825 4.313 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)s1 39998578 ZKIZGQRVMHFVNZ-SNVBAGLBSA-N 371.915 4.326 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)N(C)[C@@H](C)c1cc2ccccc2o1 40056839 ABPTVZJKPBFDRH-HNNXBMFYSA-N 360.417 4.155 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](c1cccs1)N(C)C 40099169 TWSVGDAGKXUJQG-CQSZACIVSA-N 367.902 4.143 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(C)cc1 44902348 MNCMKEFLRFEYFF-QGZVFWFLSA-N 357.519 4.374 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1C 48236441 RKTIEBRGIZEMLP-UHFFFAOYSA-N 371.437 4.273 0 40 FIAB Clc1ccc(OCCSc2nncn2C2CC2)c(Br)c1 48406285 NGWMAOOGLKNJOU-UHFFFAOYSA-N 374.691 4.200 0 40 FIAB CN(C)CCOc1ccc(NC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 56664292 GOAJRMSECGPVOJ-IBGZPJMESA-N 373.884 4.089 0 40 FIAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCc2sccc2C1 56784693 PTYBRQGTSVETFN-MRXNPFEDSA-N 372.490 4.286 0 40 FIAB Cc1ccc(-c2nc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)cs2)o1 57964453 XDOJWHSTOZALQP-UHFFFAOYSA-N 366.398 4.379 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 60512705 NQZZTEGGPDWMPQ-OAHLLOKOSA-N 370.518 4.475 0 40 FIAB Fc1ccc(N2CC[C@H](CNCc3csc(-c4ccco4)n3)C2)cc1 63523523 AMTMSHNNMBTJAB-CQSZACIVSA-N 357.454 4.158 0 40 FIAB O=C(CCN1CCCCC1)Nc1ccccc1C(=O)c1ccc(Cl)cc1 69383073 VWBMIACBOZZABD-UHFFFAOYSA-N 370.880 4.386 0 40 FIAB CCCCCN(C(=O)Nc1ccc(OCCOC)nc1)[C@H](C)CCC 72289024 OYHVOWRJOWXGEY-MRXNPFEDSA-N 351.491 4.320 0 40 FIAB COc1ccc(C)cc1NC(=O)Nc1cnc(Oc2ccccc2F)nc1 77101363 VJGPAOXEVOSAAJ-UHFFFAOYSA-N 368.368 4.369 0 40 FIAB Cc1nnc(-c2ccccc2C(=O)OCc2nc3ccccc3s2)o1 89736436 NVEJLOUVCJEDJQ-UHFFFAOYSA-N 351.387 4.012 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@H]1CCO[C@H](CC(C)C)C1 95464357 ZMFZGULQAOPEOD-PKOBYXMFSA-N 370.497 4.204 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cnc(-c3ccsc3)s2)cc1OC 95958516 KGNWVEROJDEJJB-NSHDSACASA-N 374.487 4.380 0 40 FIAB COC1(CNC(=O)c2cccc(C(F)(F)F)c2)C2CC3CC(C2)CC1C3 96123862 NODVAZCGDLKFGU-UHFFFAOYSA-N 367.411 4.277 0 40 FIAB O=C(c1ccc(F)c(F)c1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261340 ZBHYQJLZJLUHCZ-LEWJYISDSA-N 371.427 4.217 0 40 FIAB O=C(Nc1cccc(OC(=O)C2[C@@H]3CCCC[C@@H]23)c1)C1[C@H]2CCCC[C@H]12 100290429 SDNLVBMBXWAERR-WNRNVDISSA-N 353.462 4.403 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102324750 FJMSYYOGRQLFID-QEWYBTABSA-N 357.885 4.389 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)c(Cl)c1Cl 113935830 PCDGFPPONZKJAY-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)COc1ccccc1C 219323936 VVNGPPUKMPWUJW-MAUKXSAKSA-N 361.869 4.390 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)COc1ccccc1C 219376174 ZZAJHJZXISXKIW-OALUTQOASA-N 355.478 4.353 0 40 FIAB O=C(CCc1ccccc1F)NCCSCc1ccccc1Cl 222593906 MONUVQYZUYPSHJ-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CC 223475238 DGFUIQYDQAGWEZ-OAQYLSRUSA-N 370.468 4.222 0 40 FIAB O=C(COc1cccc2ccccc12)NCCOc1ccc(Cl)cc1 224257794 WCYXOWGIHIVZFC-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB CCCc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2)cc1 224266152 TXGOJEYVBHXYPM-UHFFFAOYSA-N 355.478 4.337 0 40 FIAB CCCC[C@@H](CC)CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225121279 ZULADKYVVNLAJG-MNTXUITRSA-N 368.477 4.383 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cn1 225866941 SUDBGIWGFHFBNP-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB CCCCC[C@](C)(OCC)C(=O)Nc1cnc(OCCOCC)c(C)c1 225898032 GITXIGWQIAEDDX-FQEVSTJZSA-N 366.502 4.119 0 40 FIAB Cc1ccc(CNc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 226240683 MMZCKLPOHNQDTF-UHFFFAOYSA-N 350.384 4.463 0 40 FIAB O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 227632052 OCWDSBUMWJLWAD-ZTFGCOKTSA-N 360.429 4.158 0 40 FIAB O=C(N1CCCCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257211213 BXXNRDJBHSVWSP-UHFFFAOYSA-N 364.489 4.100 0 40 FIAB O=C(O)Cc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(F)cc1 408888356 UQURBUKKDIKVPF-UHFFFAOYSA-N 372.377 4.018 0 40 FIAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CCOc1ccc(F)cc1 409053848 RAXXVPNLOFAGAE-WJDWOHSUSA-N 361.369 4.080 0 40 FIAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccccc2)cc1 409114842 QOAJJVMJRMXPHS-UHFFFAOYSA-N 353.443 4.375 0 40 FIAB O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 528838375 FWAMXVDQUFAWDQ-HBMCJLEFSA-N 371.427 4.183 0 40 FIAB CC(C)(c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1)C(F)(F)F 583651202 GXDWOYCRIWDXQY-UHFFFAOYSA-N 351.324 4.477 0 40 FIAB Cc1ncsc1CN1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 1615156090 LIFBXURMBLWJDL-CUWPLCDZSA-N 369.534 4.216 0 40 FIAB COc1cc2c3c(c1)/C(=C\NCc1ccccc1)C(=O)N3C(C)(C)C=C2C 2033970170 PZIPFJLLBBIVEQ-XSFVSMFZSA-N 360.457 4.368 0 40 FIAB C[C@]1(C(=O)Nc2cccc(Cl)c2Cl)Cc2ccccc2C(=O)O1 818836 BNTCBLLQGOQRIT-QGZVFWFLSA-N 350.201 4.104 0 40 FIAB CCCC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2)c(C)c1C(=O)OC 871197 JTKPOCQNLMSMQT-UHFFFAOYSA-N 374.462 4.142 0 40 FIAB CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883901 GXEVAHFNRQDZJE-UHFFFAOYSA-N 369.412 4.169 0 40 FIAB O=C(O)C1[C@H](c2ccccc2)C(C(=O)Oc2ccccc2)[C@@H]1c1ccccc1 885221 IWZLOIAVWMAQKN-FDRBHKFBSA-N 372.420 4.490 0 40 FIAB Cc1noc(C)c1Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1290772 KDEYTOZZUHIXOX-UHFFFAOYSA-N 351.431 4.087 0 40 FIAB CC(C)(Oc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 1563964 UUZPLLNAZFSRON-UHFFFAOYSA-N 353.201 4.466 0 40 FIAB C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)N21 2140158 ALBUDBJWMWNMKJ-DIFFPNOSSA-N 365.820 4.276 0 40 FIAB biogenic O=C(CSc1ccc(F)cc1)Nc1c(F)c(F)c(F)c(F)c1F 2383568 CBZHGBXYJFALDI-UHFFFAOYSA-N 351.271 4.252 0 40 FIAB CCCCCn1c(N)c(C(=O)O[C@@H](C)CC)c2nc3ccccc3nc21 2426561 YTNPBTQHSKVKCV-ZDUSSCGKSA-N 354.454 4.312 0 40 FIAB COc1ccc(CC(=O)Nc2ccc3nc(SC)sc3c2)cc1OC 2639642 YDQVZPRSNDNRES-UHFFFAOYSA-N 374.487 4.217 0 40 FIAB CC[C@@H](C(=O)OCC(=O)c1ccccc1Br)c1ccccc1 3242429 SSWCSHZFUKAUFC-CQSZACIVSA-N 361.235 4.369 0 40 FIAB O=c1c2ccccc2nc2n1CC/C2=C\c1ccc(Br)cc1 4027201 HPRXYXQHOXJMCR-ACCUITESSA-N 353.219 4.103 0 40 FIAB biogenic COc1ccc(-c2nnc3sc(-c4ccccc4Cl)cc(=O)n23)cc1 4776568 XZUKARHYCNIDRM-UHFFFAOYSA-N 369.833 4.147 0 40 FIAB CC(=O)N1CCCc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21 5252252 IHJBWNDYUJTIBX-UHFFFAOYSA-N 374.440 4.156 0 40 FIAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc2c(c1)OCO2 5554458 FWQBHRHJAOLWGN-UHFFFAOYSA-N 365.385 4.058 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 6478721 HREUNWFIXZMCPZ-WOJGMQOQSA-N 369.442 4.249 0 40 FIAB CCN(CC)c1ccc(NC(=O)COC(=O)c2ccccc2SC)cc1 6611179 KQDAUGDAEZIDKX-UHFFFAOYSA-N 372.490 4.050 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1C 6627729 NTTVLUMGEXGKJR-UHFFFAOYSA-N 358.290 4.431 0 40 FIAB Cc1ccc(-c2cnc(S[C@H](C)C(=O)N(C)C)n2-c2ccccc2)cc1 7122167 VMUSRCXEMFMEMK-MRXNPFEDSA-N 365.502 4.417 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1 7260115 MAGAWYZFCXPILT-LBPRGKRZSA-N 358.492 4.269 0 40 FIAB CC(=O)c1ccc(OCc2cc3c(cc2Br)OCCO3)cc1 7338197 XAAMWKBJNUNWKC-UHFFFAOYSA-N 363.207 4.002 0 40 FIAB CCOCc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 7755720 BYZVUUHUIOIGNN-UHFFFAOYSA-N 364.239 4.247 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 7882412 BGEYMHNZQWTOFK-IBGZPJMESA-N 364.489 4.420 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1 7882467 GPJGBDOBCOJLBY-GOSISDBHSA-N 358.441 4.448 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(O)c1 8185243 OTIZTOTXJYQHDQ-UHFFFAOYSA-N 365.760 4.174 0 40 FIAB C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(Br)cc1 8750051 XEDDWPZLPDHQDO-ZDUSSCGKSA-N 361.283 4.002 0 40 FIAB Cc1oc(C)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1C 8883162 KPFSZXOOLSPICW-UHFFFAOYSA-N 364.449 4.442 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)Cc1csc(-c2cccs2)n1 9114161 XAADGINJBYBVMV-LBPRGKRZSA-N 358.488 4.300 0 40 FIAB O=C(Cc1ccccc1F)NCCSc1ccc(Br)cc1 9882464 WXVBCFNLTVWLBR-UHFFFAOYSA-N 368.271 4.039 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1cccc(Cl)c1 11376161 IPDUNTWORSCXTM-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB Cc1nc2cccc(NC(=O)Cc3c(C)oc4c3C(=O)CC(C)(C)C4)c2[nH]1 12147424 FCUORQALKLHFFL-UHFFFAOYSA-N 365.433 4.109 0 40 FIAB CC1CCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)CC1 12365412 GSIXONCMFUUVAQ-UHFFFAOYSA-N 356.470 4.075 0 40 FIAB CC(=O)c1c(F)cccc1N1CCN(Cc2c(F)cccc2Cl)CC1 12551509 QZAMSPGYMYBTGQ-UHFFFAOYSA-N 364.823 4.143 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 12642313 VLWKIJKTPYGXAT-MRXNPFEDSA-N 365.477 4.376 0 40 FIAB Cc1nn(C)c(C)c1Nc1nc(-c2cccnc2)nc2sc(C)c(C)c12 12876622 CQLPOGWRWAQAGN-UHFFFAOYSA-N 364.478 4.464 0 40 FIAB CNC(=O)NC(=O)CCS[C@H](c1ccccc1)c1ccc(Cl)cc1 12946981 ZAYPXPFZYJPQEP-QGZVFWFLSA-N 362.882 4.008 0 40 FIAB Clc1ccccc1OCCN1CCN(c2nsc3ccccc23)CC1 13724237 LYINLNOXVRHWFJ-UHFFFAOYSA-N 373.909 4.151 0 40 FIAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)C(C)(C)C)cc2c1 13769368 SMAXVDVUWVXYJM-UHFFFAOYSA-N 370.474 4.039 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2)c1 15132838 IQGIIHWXGOSFFA-OAHLLOKOSA-N 365.429 4.113 0 40 FIAB Cc1cccc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c1C 15883237 NWSQFLBNLUPHHE-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CNC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 19209449 FLTRCAFNBXFNKT-UHFFFAOYSA-N 354.793 4.212 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)OC 20462259 QZYLCGXGYNHOCP-FQEVSTJZSA-N 363.413 4.423 0 40 FIAB O=c1c(I)c(C2=CCCCC2)oc2ccccc12 21997136 WAFPISUEPYQXOK-UHFFFAOYSA-N 352.171 4.355 0 40 FIAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(c3ccccc3)CC2)c(Cl)c1 25422603 YNROVMWCULOFHE-KRWDZBQOSA-N 371.912 4.106 0 40 FIAB COc1ccc(C(=O)CSc2nc(C)c(C)n2CC(C)C)c(OC)c1 26051427 XVLZMPSYLYLLCO-UHFFFAOYSA-N 362.495 4.148 0 40 FIAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)c1ccc2c(c1)CCC2 26480463 XTBPGPRVXDQESC-JTQLQIEISA-N 352.381 4.348 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1C 27662268 OTKRBDVGBXGJNI-UHFFFAOYSA-N 371.824 4.333 0 40 FIAB COc1ccccc1CNC(=O)N[C@H](C)c1ccccc1Br 30982686 CCYARLKDUCLSSS-GFCCVEGCSA-N 363.255 4.018 0 40 FIAB C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)c1ccc(F)c(F)c1 31797858 JRZOBBTUPDYMQV-SNVBAGLBSA-N 351.422 4.179 0 40 FIAB CCc1ccccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578672 MZFYTCCDPQVDPL-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB O=C(O)[C@H]1CC=CC[C@@H]1c1nnc(CSc2ccc(Cl)cc2)o1 32937976 YTOYVXIOHPTPQD-STQMWFEESA-N 350.827 4.150 0 40 FIAB Cc1cc(NC(=O)c2cc3occc3n2Cc2ccccc2Cl)no1 36360902 SWBSHWPGNWESON-UHFFFAOYSA-N 355.781 4.485 0 40 FIAB C[C@@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 40161206 JDHMXZAOLPAMAT-HUUCEWRRSA-N 362.429 4.246 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44912695 UEIOVDCIRJQXGP-UHFFFAOYSA-N 366.505 4.391 0 40 FIAB Fc1ccc(OCc2nc(CN3CCc4sccc4C3)cs2)cc1 48324873 OWVBMMREFDUBBD-UHFFFAOYSA-N 360.479 4.481 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1cc(Br)cs1 48327569 VQPHEKPFBDZWNL-SNVBAGLBSA-N 372.259 4.076 0 40 FIAB CN(C)[C@@H](CNC(=O)c1sccc1-c1ccccc1)c1ccccc1 48354458 IUTZZOOEIAERSG-IBGZPJMESA-N 350.487 4.448 0 40 FIAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccsc1 51315279 HNASOYIAJFIRBX-UHFFFAOYSA-N 370.308 4.054 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)Nc3cc(F)c(N(C)C)c(F)c3)c2)cs1 54118328 RJOXTRYJQVLBDZ-UHFFFAOYSA-N 362.405 4.043 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 54374095 PJPWBUDWMXMYRW-KRWDZBQOSA-N 354.406 4.183 0 40 FIAB Cn1cc(C(=O)Nc2ccccc2OC[C@H]2CCCCO2)c2ccccc21 56349184 DUHHFTCCVNNFKL-MRXNPFEDSA-N 364.445 4.379 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccco3)c12 57991278 DSNVCRMBRFZDHC-LBPRGKRZSA-N 366.465 4.456 0 40 FIAB C[C@H]1CCN(C(=O)CSC[C@H](O)c2ccccc2)c2ccccc2S1 65554380 MDVSDTKMODMEHG-YJBOKZPZSA-N 373.543 4.371 0 40 FIAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1 67190112 FSPMMLXJYVKAHF-GYHWCHFESA-N 371.396 4.321 0 40 FIAB Cc1ccc([C@@H]2OCCC[C@H]2Nc2cc(C)nc(-c3ccccn3)n2)cc1 72307320 ULKIPKORGFDYQL-NQIIRXRSSA-N 360.461 4.488 0 40 FIAB CCn1ccnc1CN1CCC(c2cccc(Cc3ccccc3)n2)CC1 72350283 OWNCAEGVAFUQGG-UHFFFAOYSA-N 360.505 4.268 0 40 FIAB O=C(C1CCCC1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358944 QKOOKPITMPDDNL-INIZCTEOSA-N 353.441 4.179 0 40 FIAB CCc1nccn1-c1cccc([C@H]2CCCN2Cc2ccc(OC)cc2)n1 72379116 FCOQPLNYJXWQSB-HXUWFJFHSA-N 362.477 4.175 0 40 FIAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2)cc1 72412724 QGNOXISPCFYSFL-QGZVFWFLSA-N 351.431 4.112 0 40 FIAB Cc1nc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)sc1C 75110945 CURKYHOJPXGCAN-IAGOWNOFSA-N 367.478 4.007 0 40 FIAB O=C(NCc1cccs1)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200240 IQFITEUTIVLWPL-HOTGVXAUSA-N 373.478 4.107 0 40 FIAB Cc1nc(C)c([C@H](C)NC(=O)c2cc(C)n(CC(F)(F)F)c2C)s1 84079607 GHJICHKGZLAMCG-JTQLQIEISA-N 359.417 4.232 0 40 FIAB Cc1ccc(CNC(=O)c2cnc([C@H]3CCCO3)s2)c(OCC2CC2)c1 89775517 HOFLHXCUNKLDJY-MRXNPFEDSA-N 372.490 4.022 0 40 FIAB CC(=O)OC[C@]12CO[C@H](c3ccc(OC(C)=O)cc3)[C@@H](C(C)=C[C@H]1C)[C@@H]2C 100745681 RJNYTRPEECCIOJ-DHFIOEACSA-N 372.461 4.081 0 40 FIAB biogenic CC1(C)O[C@H]2[C@@H]3C[C@@H]([C@H]2O1)[C@@H]1[C@@H]3[C@]2(Cl)C[C@]1(Cl)C(Cl)=C2Cl 104330425 IZPNWEIGSKDHKD-PYRFFQLZSA-N 370.103 4.450 0 40 FIAB Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H](C)n3cnc4ccccc43)nc2c1 194531872 SVTVVPNWNWTTOD-QRWLVFNGSA-N 373.460 4.146 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c(C)c1 219513416 WICJMUQDMSGSRP-INIZCTEOSA-N 355.434 4.195 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCCOc2ccccc2Cl)cc1 224339365 LRUOJBOJIWRQDT-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224986854 LLIAZYPCKSOHAG-UHFFFAOYSA-N 359.875 4.416 0 40 FIAB COc1cc(C)c(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C(C)C 225136790 GQTAKXZUKWXETL-MRXNPFEDSA-N 361.507 4.209 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 225299014 JKSPPLIKMPKGEG-UHFFFAOYSA-N 353.853 4.165 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 225642835 KEMSSROHPFNYAC-QUCCMNQESA-N 372.553 4.104 0 40 FIAB O=C(c1cccc(Cl)c1)N1CC[C@H](Oc2cccc3cccnc23)C1 238952207 XEDBQNCLPKKWPY-KRWDZBQOSA-N 352.821 4.182 0 40 FIAB C[C@H](C(=O)OCCCCCC(=O)O)c1cccc(C(=O)c2ccccc2)c1 251987035 HPRWHZFBQXKVLY-INIZCTEOSA-N 368.429 4.209 0 40 FIAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4O)OCC[C@@]31C2 257290186 QBXQTJWLDPCLJV-JIFMIUSNSA-N 357.494 4.047 0 40 FIAB Cc1nccnc1[C@H]1CCCN1Cc1ccc(-c2ccccc2C(=O)O)o1 257314087 UVFWMOVLZAMWBD-GOSISDBHSA-N 363.417 4.080 0 40 FIAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1)C1CC1 260816799 QMDOHFNVBHNKGH-VGOFRKELSA-N 374.525 4.084 0 40 FIAB CCCOC(C)(C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260818235 YMNBWALKKKFOQK-QGZVFWFLSA-N 362.514 4.084 0 40 FIAB CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nn(Cc2ccccc2)c1C 524096890 SHNLHDRWNUBIPE-NRFANRHFSA-N 361.489 4.299 0 40 FIAB CC(=O)N1CCCCCCCNCc2cc(Nc3ccccn3)ccc21 643588870 KKJXBUZXDVCEPK-UHFFFAOYSA-N 352.482 4.232 0 40 FIAB CN(c1ccccn1)C1CCN(Cc2csc(C3CCCC3)n2)CC1 1889108758 BJRIMLFRGNCQQS-UHFFFAOYSA-N 356.539 4.297 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccccc3n2)c1C 948379 CFJZDGSYFKTPNG-UHFFFAOYSA-N 368.458 4.250 0 40 FIAB Cc1c(-c2ccnn2S(=O)(=O)c2ccccc2F)sc2ccccc12 1040562 PANJYOPYPCJTFY-UHFFFAOYSA-N 372.446 4.449 0 40 FIAB Cc1cc(N2CCN(c3cccc(C)c3C)CC2)nc(-c2ccccc2)n1 1350798 IUIJAHSUMCGBLF-UHFFFAOYSA-N 358.489 4.395 0 40 FIAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 1380675 VUKLCCLLLFRDCN-UHFFFAOYSA-N 369.856 4.262 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 1886273 YJQQYTHEJMSKNO-UHFFFAOYSA-N 361.825 4.314 0 40 FIAB COc1ccc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C)oc2c1C 2356561 BSWVGIKXXXLCMM-UHFFFAOYSA-N 352.386 4.165 0 40 FIAB COc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)cc1 2426972 YCKMSMCEBUZODX-AWEZNQCLSA-N 363.392 4.281 0 40 FIAB C[C@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1-c1ccccc1 2628178 YXLGTTWULGOLSM-INIZCTEOSA-N 374.440 4.199 0 40 FIAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c(C)o1 2637412 HGKOYLZSSYDQMN-CYBMUJFWSA-N 370.430 4.204 0 40 FIAB CC1=C(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)N(c2ccccc2)[C@@H]1C 3220578 LQSVQZJKKZGAEK-MRXNPFEDSA-N 362.473 4.423 0 40 FIAB CC(C)[C@H](C)NC(=O)COc1ccc2cc(Br)ccc2c1 3453041 APFWJNRVGYXOMK-LBPRGKRZSA-N 350.256 4.142 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc2ncsc2c1 3479459 JQNCUVYHWIETAZ-UHFFFAOYSA-N 354.431 4.215 0 40 FIAB CC1(C)OC[C@H]([C@H](c2nc3ccccc3s2)N(O)Cc2ccccc2)O1 3847536 WSKWYSZWJBFBHM-SJLPKXTDSA-N 370.474 4.380 0 40 FIAB biogenic CCCCOc1ccccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCCO3 3907449 KOYNDIUGWJGCFV-OAHLLOKOSA-N 353.418 4.111 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O 4026839 YJPIDPAGJSWWBE-PQTWGXLHSA-N 372.461 4.025 0 40 FIAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1)c1ccco1 4091994 CGNYESMRXPHAEY-UHFFFAOYSA-N 365.433 4.082 0 40 FIAB CCOc1ccc(-n2c(SCc3nnc(C)o3)nc3ccccc32)cc1 4253289 LBQBYXPHYMUVKT-UHFFFAOYSA-N 366.446 4.408 0 40 FIAB CCCCOc1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 4275970 LWQVCZYEVPQQKZ-UHFFFAOYSA-N 355.369 4.307 0 40 FIAB CCOc1ccc(C(=O)COC(=O)c2ccc(Cl)cc2Cl)cc1 4740696 RDUIVDPUUXOKJZ-UHFFFAOYSA-N 353.201 4.432 0 40 FIAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2F)c(C)n1C1CC1 4891128 YGQZUGYCDIUFBD-UHFFFAOYSA-N 370.453 4.135 0 40 FIAB CCSc1ccc2c3c(cccc13)C(=O)N(CCc1ccccn1)C2=O 5390424 ZEHPCEWZAUBITR-UHFFFAOYSA-N 362.454 4.186 0 40 FIAB Cc1cc2oc(=O)c3c(c2cc1O[C@H](C(=O)O)c1ccccc1)CCCC3 5547281 INPPUXJUZFZFKM-FQEVSTJZSA-N 364.397 4.185 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nncn1-c1ccccc1 5621939 SYSGKLYARUGVLE-CQSZACIVSA-N 362.458 4.421 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCc1ccccc1F 6649526 YZTFWVUDLJUMBK-UHFFFAOYSA-N 362.763 4.469 0 40 FIAB CCOc1ccc([C@@H]2SCC(=O)N2c2nc3ccccc3s2)cc1 6963713 MECPUDFZSGIWMN-KRWDZBQOSA-N 356.472 4.474 0 40 FIAB CCc1ccc(S(=O)(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 7689409 UJLRNTOFBLAVDS-CYBMUJFWSA-N 360.504 4.240 0 40 FIAB O=C(Nc1ccnn1Cc1ccccc1)c1cccnc1Oc1ccccc1 7777186 UKBKFIJVGOCISH-UHFFFAOYSA-N 370.412 4.371 0 40 FIAB Cc1cc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)on1 7783493 JKTACIMNPIPSSK-UHFFFAOYSA-N 363.442 4.482 0 40 FIAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c(OC)c1 7820628 JCPVJGREKLVFPU-UHFFFAOYSA-N 374.487 4.127 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 8041024 NIWCFPFGSVLABN-GOSISDBHSA-N 374.868 4.274 0 40 FIAB O=C1CCc2cc(C(=O)CSc3nc4ccccc4s3)ccc2N1 8447924 LSRVCLQMSOFTHP-UHFFFAOYSA-N 354.456 4.156 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8883461 GGDWRLMJKWXLMD-KRWDZBQOSA-N 374.387 4.495 0 40 FIAB Cc1cccc(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1C 9817838 ARERMPZADLHMNV-UHFFFAOYSA-N 371.487 4.255 0 40 FIAB COc1ccc(-c2n[nH]c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC 12357682 ORNMEMRMEZYWFE-UHFFFAOYSA-N 374.824 4.432 0 40 FIAB Cc1nc2cc(NC(=O)COc3cc(Cl)ccc3Cl)ccc2o1 12752395 SQANMNXAOXYQPD-UHFFFAOYSA-N 351.189 4.461 0 40 FIAB CCc1ccc2c(CN(C)CCOc3ccc(F)cc3)cc(=O)oc2c1 12799032 MBSGMEXSIVWNHK-UHFFFAOYSA-N 355.409 4.005 0 40 FIAB Cc1nc(COc2cccc(C(=O)NCc3ccccc3C)c2)cs1 12989173 XZXJCJWWOYQLST-UHFFFAOYSA-N 352.459 4.269 0 40 FIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 13002397 WKUPTDQNUWPGDZ-MRXNPFEDSA-N 370.493 4.286 0 40 FIAB C[C@@H](NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 13013128 JMWFJUHQBWYJAY-OAHLLOKOSA-N 371.864 4.182 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N2CCC[C@@H]2c2cccs2)cc1 13023356 GVMSMZGJPQOAKE-MRXNPFEDSA-N 360.504 4.162 0 40 FIAB Cc1cccc(NC(=O)CCn2ccc3ccc(Br)cc32)n1 13692554 ZYTOPYDKOOJVPU-UHFFFAOYSA-N 358.239 4.136 0 40 FIAB O=C(NCCCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc(Cl)cc1 14598398 POOWFMLGEFDRIL-CRAIPNDOSA-N 362.901 4.031 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C)cc2C)cc1OCC 15966368 FLDRCWPTIYSXTO-QGZVFWFLSA-N 371.477 4.357 0 40 FIAB Cc1ccccc1CSc1nnc([C@H](N)Cc2c[nH]c3ccccc23)o1 16039285 NGOGNHXTMINKMI-QGZVFWFLSA-N 364.474 4.394 0 40 FIAB O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1cccc2ccccc12 17178579 BHUZOULYAIRSDE-QHCPKHFHSA-N 374.484 4.033 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2nc3ccccn3c2NC2CCCC2)CC1 19081084 DZANEVIFOCFDJY-UHFFFAOYSA-N 368.525 4.441 0 40 FIAB CCCOc1ccc(NC(=O)c2cnc3ccccc3n2)cc1OCCC 21896089 KSCHRPDBYUVXSE-UHFFFAOYSA-N 365.433 4.460 0 40 FIAB CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2cc(C)ccc21 22234643 OFTXXAJLFHPOIC-UHFFFAOYSA-N 358.800 4.375 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)Cc2ccc(OC)c(OC)c2)cc1 22509016 YGKJQQKFABLXSC-LJQANCHMSA-N 371.477 4.159 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)c1 22913034 FMWQXGUSVSDWLS-CABCVRRESA-N 359.491 4.370 0 40 FIAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCc2ccccc21 23136618 LRQSTMFAZIWYRR-UHFFFAOYSA-N 353.422 4.158 0 40 FIAB CCc1ccccc1NC(=O)c1ccc(OC)c(OCc2ccncc2)c1 24450184 QYEJGAAUYXSKKW-UHFFFAOYSA-N 362.429 4.484 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc(-c2ccccc2F)s1 29021916 OAHFHEOCAAYAQE-UHFFFAOYSA-N 364.405 4.387 0 40 FIAB O=C1CCCN1c1ccc(-c2csc(Cc3cn4ccccc4n3)n2)cc1 32899507 ITEBLDRWFWAEPE-UHFFFAOYSA-N 374.469 4.175 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2c(F)cccc2F)cc1 36365520 RWBXMBMMQVVXST-ZDUSSCGKSA-N 355.344 4.283 0 40 FIAB COc1cc(NC(=O)N2CCC[C@@H]2c2ccccc2C)cc(OC)c1OC 36621157 NDPQZQMZYCIZKO-QGZVFWFLSA-N 370.449 4.390 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2c(F)cccc2Cl)cc1OC 40087660 FUCZSZJXUMDDFE-NSHDSACASA-N 351.805 4.377 0 40 FIAB Cc1ccc(C(=O)c2ccccc2I)cc1Cl 43210092 VXMOHPBOSVONCQ-UHFFFAOYSA-N 356.590 4.484 0 40 FIAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47188593 QNAORRSSHGQACD-JTQLQIEISA-N 373.865 4.012 0 40 FIAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C)ccc1OCc1ccccc1 49547686 XRWFFIORSTWYCT-MRXNPFEDSA-N 363.417 4.131 0 40 FIAB Cc1nc(C)c([C@H](C)NC(=O)Nc2cccc(N3CCCC3=O)c2C)s1 56633979 MNVFYLWSYUWTGM-ZDUSSCGKSA-N 372.494 4.078 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C)Cc1cccc(Cl)c1Cl 58136070 WEWANZCLLGHNHR-SNVBAGLBSA-N 354.281 4.106 0 40 FIAB CC(C)c1nnc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)o1 58144850 WWXUWRZEOACYPF-SECBINFHSA-N 359.373 4.331 0 40 FIAB Cc1ccc([C@](O)(CCNc2nc3ccccc3s2)C(F)(F)F)o1 58356895 OPTDAEPVETXZLO-OAHLLOKOSA-N 356.369 4.450 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c(C)c1 59227196 CQWGVAJGILGWRX-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB O=C(CCc1cccc(Cl)c1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 62269084 QOGDRHQIRWJZHZ-INIZCTEOSA-N 357.837 4.017 0 40 FIAB O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)C1CCCC1 66349280 LVJZUYHCQLIJSA-UHFFFAOYSA-N 365.429 4.265 0 40 FIAB Cc1ccc(NC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)c(F)c1 68555564 KNNSCLOZQIDREB-MRXNPFEDSA-N 369.400 4.098 0 40 FIAB Cc1ccc(C)c(OC[C@H](O)Cn2ccn(-c3ccccc3)c2=S)c1 70040672 WPNCSEWTONXKHE-GOSISDBHSA-N 354.475 4.065 0 40 FIAB C[C@H]1C[C@@H]1c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889978 MMBKENZBPSCQRV-FZMZJTMJSA-N 363.255 4.052 0 40 FIAB COc1ccc(CN2CCC[C@H]2c2ccnc(Nc3nccs3)n2)cc1 72377447 DKYDEGJUSVYHKQ-KRWDZBQOSA-N 367.478 4.022 0 40 FIAB Cc1csc([C@H](OC(=O)Cc2cccc3cccnc23)C(F)(F)F)n1 89705292 BBLHLBKTGFLEGE-HNNXBMFYSA-N 366.364 4.389 0 40 FIAB CCc1cccc(CC)c1NC(=O)CNC1(c2nc(C)cs2)CCC1 95960372 NYFPSOGCYBSFBG-UHFFFAOYSA-N 357.523 4.184 0 40 FIAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100424258 JRPIYSNNDFPNJZ-XXYORIAFSA-N 359.558 4.050 0 40 FIAB CCOC(=O)c1ccc(N[C@@H](C)Cc2ccco2)c(Br)c1 109795970 UBXOPNZWSPGOAW-NSHDSACASA-N 352.228 4.262 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 136530366 RLXAHRAUVMVINP-HDICACEKSA-N 374.440 4.011 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)N[C@H](C)COc1ccc(Cl)cc1)n2C 141572054 PXXQEQYPNYJMMC-CQSZACIVSA-N 356.853 4.337 0 40 FIAB CC(C)c1ccc(OCC(=O)NCCCN2CCCc3ccccc32)cc1 218964098 MAZPLCWILYWWAU-UHFFFAOYSA-N 366.505 4.148 0 40 FIAB COc1ccc(CN(C)C(=O)CSCc2ccc(Cl)cc2F)cc1 223129178 COGMFEGAZVWYNW-UHFFFAOYSA-N 367.873 4.380 0 40 FIAB CCc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1OC 223684464 QVGBEYLQZWYAJI-UHFFFAOYSA-N 360.262 4.365 0 40 FIAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COC 224687890 IMTULMGPVVYDLG-UHFFFAOYSA-N 367.489 4.327 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 224916953 SAPYHIRKQNSHBN-FQEVSTJZSA-N 354.450 4.092 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NC(C(C)C)C(C)C)cc1Cl 225328096 LNKPDXKYQBCGNK-UHFFFAOYSA-N 356.919 4.484 0 40 FIAB CCOc1ccc(CCCNC(=O)CCc2ccc(OC)c(C)c2)cc1 225392400 XDXDYEXEEGLPQB-UHFFFAOYSA-N 355.478 4.084 0 40 FIAB COCCC1(NC(=S)Nc2ccc(Br)c(C)c2)CCCC1 225854243 FYIAGULDTNQQNG-UHFFFAOYSA-N 371.344 4.393 0 40 FIAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccnc(O[C@H]2CCOC2)c1 252482221 DAYJPHULLUNAJQ-IBGZPJMESA-N 372.424 4.073 0 40 FIAB CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 257217595 CZQPNSGUSHGNEK-MRXNPFEDSA-N 353.466 4.258 0 40 FIAB O=C(CCC1CCCC1)N1CCCC[C@H]1c1nnc(-c2ccncc2)o1 257322308 WFKYGQJHRDHBSX-KRWDZBQOSA-N 354.454 4.156 0 40 FIAB CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)CCCC(=O)N(C)C 299888233 BBJRTSLPWQUASB-NTPNCFHQSA-N 363.542 4.162 0 40 FIAB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)ccc1O 409060932 AKLWRYLNGUQOMN-DHDCSXOGSA-N 361.806 4.295 0 40 FIAB O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@H]1c1cc[nH]n1 557039156 XGYIXDYOOONLTC-HNNXBMFYSA-N 351.431 4.008 0 40 FIAB O=C(Nc1nc(Sc2ccccc2)ns1)N1CCC[C@@H]1C1CCC1 573764858 JWEUCDHARPTXSD-CQSZACIVSA-N 360.508 4.486 0 40 FIAB CCc1nc2cc(N[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)ccc2o1 606911154 BUAKCLYDJCBVRG-OAHLLOKOSA-N 355.825 4.261 0 40 FIAB C[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 607204884 UQTMQPYCIIVEIS-ZJUUUORDSA-N 354.332 4.018 0 40 FIAB Cc1ccc(C2(C(=O)Nc3ccc(N4CCOCC4)cc3C)CCC2)cc1 644572487 UFVKJYGBEPPYRP-UHFFFAOYSA-N 364.489 4.200 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1C 779360 RNSILJGJHUOOFX-UHFFFAOYSA-N 372.519 4.145 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2C)c(C)c1 779950 JMBGTPLZXLEORM-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB CCc1cc(I)ccc1NC(=O)c1ccccc1C 1266873 PKGDPSJWQUPNFY-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB Fc1cccc(-c2cc3nc4c(c(NCc5cccnc5)n3n2)CCCC4)c1 1341611 MLFRQDVSGZPEGW-UHFFFAOYSA-N 373.435 4.421 0 40 FIAB CC(=O)NCCC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C 2651530 KNKFOYMJTZBZOM-UHFFFAOYSA-N 367.474 4.104 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 3041243 ALISMSVSNXSTPM-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB COc1cccc(NC(=O)[C@@H](Sc2nncs2)c2ccccc2)c1 3389381 MRVJYSOCVMVAPI-HNNXBMFYSA-N 357.460 4.019 0 40 FIAB COc1ccccc1C(=O)Nc1nnc(-c2c(C)cc(C)cc2C)s1 4070381 AIHNVUUYUYCAKN-UHFFFAOYSA-N 353.447 4.391 0 40 FIAB O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2)C1 4237296 TUJYTNVOKDXXAL-ZWKOTPCHSA-N 362.498 4.196 0 40 FIAB biogenic,in-vitro O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C1=COCCO1 4303209 XRERVVBXXPYQAU-UHFFFAOYSA-N 363.247 4.005 0 40 FIAB CO[C@H]1O[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C[C@H]1NC(=O)c1ccccc1 4531119 DIXAXVFFZZXUJB-ANZUNKEZSA-N 365.473 4.130 0 40 FIAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 4725578 INRBYXBJVMBFPK-MRXNPFEDSA-N 356.897 4.429 0 40 FIAB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3C(C)=O)cc2c1 4980723 YOOCZCREEIZXSB-KRWDZBQOSA-N 369.808 4.187 0 40 FIAB O=C(CSc1ccccn1)Nc1ccc2c(c1)OC1(CCCCC1)O2 5093505 KGSQQIATAZHNEE-UHFFFAOYSA-N 356.447 4.244 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2ncc(-c3ccccc3)n2C)cc1 5175115 GBLVZOPTPVGQMF-AWEZNQCLSA-N 352.459 4.459 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCc2ccccc21 6314851 UGZUVLHFUFRCIB-UHFFFAOYSA-N 361.772 4.110 0 40 FIAB COc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCCC4)c1 6506075 GCZVLVHDVSXHRV-UHFFFAOYSA-N 358.488 4.387 0 40 FIAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)c1nnc(-c2cccs2)o1 6649933 QHSQWQGYBFVGDM-LLVKDONJSA-N 369.475 4.229 0 40 FIAB CCCCc1ccc(Nc2nnc(SCC(=O)NC(C)C)s2)cc1 6650596 PMQYQONBYUCYMJ-UHFFFAOYSA-N 364.540 4.241 0 40 FIAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1cccc(F)c1 7910220 ABFHSXSGZXSBAI-INIZCTEOSA-N 355.438 4.211 0 40 FIAB Cc1ccc(NC(=O)COc2ccccc2C2SCCS2)c(O)c1 8241805 YBWDDETYPQFPJZ-UHFFFAOYSA-N 361.488 4.197 0 40 FIAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S1 8277601 ATQZPAAOPXYMNN-KPKJPENVSA-N 363.782 4.041 0 40 FIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1F 8279739 VURYMDMAXFCUIB-HNNXBMFYSA-N 358.457 4.417 0 40 FIAB COc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)o2)cc1 8633979 NHZCVQLIPYQMGA-UHFFFAOYSA-N 366.402 4.088 0 40 FIAB O=C(NCc1noc(-c2ccccc2)n1)c1cc2cc(Cl)ccc2o1 9306391 RNSHCTWPTXKTDV-UHFFFAOYSA-N 353.765 4.066 0 40 FIAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)CCCC(=O)O 9435153 CUEHZWIHVOULOR-QAPCUYQASA-N 352.434 4.220 0 40 FIAB CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 10285128 KQTCSQMFBNFSAW-XOBRGWDASA-N 372.440 4.354 0 40 FIAB Cc1cccn2cc(COc3ccccc3C(=O)NC3CCCCC3)nc12 11373811 VPBGYIBMKHWDGM-UHFFFAOYSA-N 363.461 4.284 0 40 FIAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C)nc3c2CCC3)c(C)c1 12016730 CFWBIXMDHIDTIA-AWEZNQCLSA-N 355.507 4.318 0 40 FIAB CCCCn1c([C@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21 12637238 CTFJFAHGJMJPLR-INIZCTEOSA-N 363.461 4.366 0 40 FIAB O=S(=O)(Cc1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 12856314 WGZQRUXBXADYGD-NRFANRHFSA-N 351.471 4.090 0 40 FIAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)NC(C)(C)C 12863927 HGZMMLORGDJOPV-GFCCVEGCSA-N 355.463 4.285 0 40 FIAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1ccc2c(c1)OCO2 12887251 VAOYHJMQUHYJTO-QPJJXVBHSA-N 364.228 4.394 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c(O)c1 12912611 SFXZULWLUFVMSE-UHFFFAOYSA-N 365.408 4.157 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccncc1 12946768 YJFBHCRNRICKBY-UHFFFAOYSA-N 374.263 4.144 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 12949760 BUVVVDFWOUZSFV-UHFFFAOYSA-N 368.433 4.085 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)NCc1ccccc1OC(F)(F)F 12971805 IDYCDPLLHPHLMB-UHFFFAOYSA-N 356.319 4.066 0 40 FIAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 12976416 BCNVFGKEKALTHZ-JNCPLXCYSA-N 366.505 4.141 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1ccc(Cl)cc1 12989054 JEGZZHQAYMGVMD-GFCCVEGCSA-N 357.866 4.278 0 40 FIAB CCOc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccccc1Cl 13059624 DWKYZUXDLUQYFP-UHFFFAOYSA-N 374.868 4.012 0 40 FIAB COC(=O)c1ccc(CNC(=O)Cc2coc3ccc4ccccc4c23)cc1 13137615 DRFSYTXRCWKPAL-UHFFFAOYSA-N 373.408 4.232 0 40 FIAB CC1(C)C[C@]2(C[C@@H](c3ccc(F)cc3)c3ccc(O)cc3O2)N=C(S)N1 13658223 ANOXBSSEJWHJMV-OXJNMPFZSA-N 372.465 4.200 0 40 FIAB CCOc1ccc(NC(=S)N/N=c2\cc[nH]c3cc(Cl)ccc23)cc1 13686908 BYSZGTMLSANILX-UHFFFAOYSA-N 372.881 4.022 0 40 FIAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14197435 IDZUSSSWQMMHTJ-ONGXEEELSA-N 352.312 4.145 0 40 FIAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C(=O)c2ccccc2)CC1 14809162 CHIOURYCXVDROW-CQSZACIVSA-N 367.474 4.454 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860299 JLCQXCOSPNGLNM-HXUWFJFHSA-N 370.493 4.190 0 40 FIAB O=C1CCCCC[C@H]1Cc1cc(O)c(C[C@H]2CCCCCC2=O)cc1O 17119790 SAIVAXSJCXPLEJ-IYBDPMFKSA-N 358.478 4.482 0 40 FIAB OC1(c2cccnc2F)CCN(Cc2cccc(OC3CCCC3)c2)CC1 19330874 IMIWFZYUKHCRLF-UHFFFAOYSA-N 370.468 4.026 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 19691157 FFBBIIDQEVQUFB-NRFANRHFSA-N 368.452 4.081 0 40 FIAB COc1cc2nc(NC(=O)c3ccc4ccccc4n3)sc2cc1OC 21559007 LBSSDMZTTHWMHG-UHFFFAOYSA-N 365.414 4.114 0 40 FIAB O=C(CCc1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 22131938 UXTYABQRWZTGJU-LJQANCHMSA-N 351.446 4.144 0 40 FIAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc2c(c1)CCC(=O)N2 23039282 WMZSYSWFLIQGLQ-UHFFFAOYSA-N 363.244 4.150 0 40 FIAB Cn1ccnc1[C@H](NCc1csc(Br)c1)c1ccccc1 30642794 GDEUDASMEPHZFN-OAHLLOKOSA-N 362.296 4.123 0 40 FIAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)Nc1cccc(F)c1 32609843 KJQGRHIAWZZUJL-UHFFFAOYSA-N 372.375 4.459 0 40 FIAB NC(=O)Nc1ccc(NC(=O)c2cccc(OCc3cccs3)c2)cc1 32937315 MTGDCLXEQDKNFQ-UHFFFAOYSA-N 367.430 4.070 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@H]3c3cccs3)cc2NC1=O 32988655 BXPFNYWCUMUPPQ-FZMZJTMJSA-N 358.488 4.158 0 40 FIAB COC(=O)c1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1 36366044 XHRCTHPMAVFTSC-CQSZACIVSA-N 371.462 4.044 0 40 FIAB CN(C)C(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618347 OMHQXXVZCSFEMB-UHFFFAOYSA-N 361.376 4.398 0 40 FIAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 36635903 RTGROAVSIVAIDJ-MRXNPFEDSA-N 363.244 4.300 0 40 FIAB O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 40073334 CXTHLPOYDCKTPV-MRXNPFEDSA-N 369.292 4.047 0 40 FIAB C[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 42346857 USWJCCQSESJNCX-CQSZACIVSA-N 374.868 4.404 0 40 FIAB O=C(NCc1ccccc1-n1ccnc1)/C(=C/c1ccco1)c1ccccc1 44903896 MQBOMZZPRLQXNO-RCCKNPSSSA-N 369.424 4.322 0 40 FIAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)N4CCCCC4)ccc32)cc1 46078604 JAIWNOQSBRVYAC-UHFFFAOYSA-N 362.473 4.214 0 40 FIAB O=C(CN1CCC[C@@H]1c1ccsc1)Nc1ccc(N2CCCC2)cc1 52803496 MNNAHPJNFVYOSW-LJQANCHMSA-N 355.507 4.124 0 40 FIAB CCOc1ccccc1CNC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 57413680 RECMBXVLXCWWLH-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCc1c(C)noc1Cl 58427627 DAWPJKIIYJATQD-CQSZACIVSA-N 350.846 4.300 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1nnc(C2CC2)s1 72405912 WWUSXBMQIIVZIW-UHFFFAOYSA-N 360.439 4.239 0 40 FIAB O=C(NCc1nc2ccccc2s1)c1c(F)ccc(OC(F)F)c1F 89875086 GWIPLQBEBZOJDM-UHFFFAOYSA-N 370.327 4.106 0 40 FIAB Cc1csc(SCC2CCN(C(=O)Cc3cccs3)CC2)n1 90608104 GCVHKYOPNSJFJP-UHFFFAOYSA-N 352.550 4.086 0 40 FIAB Cc1ncc(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)n1-c1ccccc1 92973844 SZDIROVKJAFCDT-NRFANRHFSA-N 369.415 4.032 0 40 FIAB COc1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2C)ccn1 95449589 KPRIAKPBCHLKGR-UHFFFAOYSA-N 353.466 4.073 0 40 FIAB C[C@@H](Sc1nnc(-c2cccs2)[nH]1)C(=O)c1cc(F)ccc1F 106587228 FFSPLCFVBKXEMK-MRVPVSSYSA-N 351.403 4.175 0 40 FIAB COc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1-c1ccccc1 113896137 IOUVDTPNEUXQSA-FQEVSTJZSA-N 361.445 4.453 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 216278049 ABXFFGXYZNZLFP-INIZCTEOSA-N 372.896 4.019 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)c1 222606086 LPSUYRSEROXEIP-UHFFFAOYSA-N 369.808 4.067 0 40 FIAB Cc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1 223722962 GKAZFBGMIFGYGE-UHFFFAOYSA-N 353.443 4.266 0 40 FIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223843269 SZZAZQBBMFPAHD-IRXDYDNUSA-N 367.499 4.334 0 40 FIAB CCOc1ccccc1NC(=O)Nc1cnc(Oc2ccccc2F)nc1 224291550 LVEXEEQQENPFMK-UHFFFAOYSA-N 368.368 4.451 0 40 FIAB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1 224673901 MAXWCDWQJMQLPQ-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCN1CCCCCC1 224977746 YFVSZNLHYDGWJM-UHFFFAOYSA-N 350.506 4.278 0 40 FIAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225012685 MVOZJMCLBIYVGG-VQTJNVASSA-N 368.550 4.435 0 40 FIAB COc1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c(C)cc2N)cc1 226331350 HFDRAOGZDJXYDF-UHFFFAOYSA-N 353.466 4.074 0 40 FIAB Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 257200738 AERPHUXBMBUPSB-CTDFXDFQSA-N 374.444 4.125 0 40 FIAB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)c4ccccc4)[C@H]3C2=O)cc1 409374258 ZEKDKCJKMAGELJ-BLKABHOGSA-N 371.436 4.090 0 40 FIAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CCc2n[nH]cc2C1 535991276 UIRZEDXVKXPJMJ-VGOFRKELSA-N 371.440 4.167 0 40 FIAB Cn1c(O)nc2ccc(NC(=O)[C@H]3CC[C@H]3c3ccc(Cl)cc3F)cc21 563863703 HNHZSBUOHMPFAH-JSGCOSHPSA-N 373.815 4.204 0 40 FIAB O=C(NCC(c1ccco1)c1ccco1)c1cc(Br)cs1 667413317 CEARKEIUFVWQJL-UHFFFAOYSA-N 366.236 4.259 0 40 FIAB Cc1cc(F)c(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c(F)c1 668493200 OYMUXQWUUXKMLE-UHFFFAOYSA-N 368.387 4.120 0 40 FIAB COC1CN(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)C1 1775966925 REWWMHMWYLXCND-UHFFFAOYSA-N 366.248 4.472 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)cc1 886773 YBRGUZBUTBKHJL-VLIAUNLRSA-N 368.506 4.086 0 40 FIAB c1ccc(Oc2ccc(-c3ccnc4nc(-n5cccc5)nn34)cc2)cc1 1382929 HSMAIRKNDVACHM-UHFFFAOYSA-N 353.385 4.374 0 40 FIAB Cc1cc(Cl)ccc1Oc1nc(-c2ccccc2)ncc1S(C)(=O)=O 1402551 OKKRLERKEQYBRB-UHFFFAOYSA-N 374.849 4.301 0 40 FIAB CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)OC3)ccc1O 1422764 WLQFCUDDGPHEBZ-QFIPXVFZSA-N 373.408 4.421 0 40 FIAB Cc1cccc(NC(=O)[C@@]2(C)CC2(Br)Br)c1C 2083666 NRCMJPPGCPQXLQ-GFCCVEGCSA-N 361.077 4.138 0 40 FIAB Cc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccn2)cc1 2327236 BPVJNJAHDCHODN-KRWDZBQOSA-N 366.490 4.299 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(Cc1ccco1)C3=O 2425500 HKOYVMOCMKKZRO-HXUWFJFHSA-N 371.392 4.440 0 40 FIAB Cn1cc(Cl)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1 2779466 KHYJZBCRSKUAPG-UHFFFAOYSA-N 353.234 4.103 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21 3655981 GEYZNZBZJHDFSY-HOTGVXAUSA-N 364.445 4.255 0 40 FIAB COc1ccc(Nc2nc(Nc3ccc(C)cc3C)c3cnn(C)c3n2)cc1 4272728 VRLMPVVAMDYIDY-UHFFFAOYSA-N 374.448 4.476 0 40 FIAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccccc3C)nn2)s1 4392160 OTBWRBCRKYGPFT-UHFFFAOYSA-N 370.503 4.256 0 40 FIAB CC(=O)C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@@H]1c1cccc(F)c1 4476817 CKLXFHMTFWHNBJ-SJAGGWKPSA-N 369.436 4.079 0 40 FIAB COc1ccc(/C=C/c2nn3c(Cc4ccccc4C)nnc3s2)cc1 4667823 UIKQUMOBUWPXRO-FMIVXFBMSA-N 362.458 4.264 0 40 FIAB CCc1cccc2c(C(=O)CSc3nnc(-c4cccnc4)o3)c[nH]c12 5213898 YYEIEKZSLCENBR-UHFFFAOYSA-N 364.430 4.150 0 40 FIAB O=C(O)CS[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 5253745 VIZPLPQXAWOQAQ-OAHLLOKOSA-N 370.257 4.491 0 40 FIAB C[C@H](OCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 5763268 GWSFFLCKRBMFRS-VBFLNORGSA-N 362.554 4.324 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 5937344 YLJDWWAALGYHKU-UHFFFAOYSA-N 363.442 4.444 0 40 FIAB Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1C1CCCCC1 6724079 VOOLDPGJOWZEJL-UHFFFAOYSA-N 361.536 4.339 0 40 FIAB CCn1c(SCc2ccccc2)nnc1-c1cccc(NC(C)=O)c1 7605060 SQXWWLQLTMRKGR-UHFFFAOYSA-N 352.463 4.216 0 40 FIAB COc1ccc(CN(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1OC 7729471 FXXWCAIZHKVWIN-UHFFFAOYSA-N 373.840 4.039 0 40 FIAB CCOC(=O)C1CCN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 7812381 GLZUKKHNWYVBQX-UHFFFAOYSA-N 374.525 4.147 0 40 FIAB COc1ccc(NC(=S)NCCSc2ccccc2)cc1Cl 7926410 FNLPQPICTXJAEU-UHFFFAOYSA-N 352.912 4.427 0 40 FIAB CCCc1sc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1CC 8014647 QQIXVBSYFOTAFA-LLVKDONJSA-N 358.463 4.235 0 40 FIAB COc1cc(NC(=O)CCn2ccc3ccccc32)c(OC)cc1Cl 8031941 YDVBUVLMJKTDGX-UHFFFAOYSA-N 358.825 4.341 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2cc(Cl)ccc2o1 8074637 NFPNYGHWCDWWLM-HNNXBMFYSA-N 358.825 4.246 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 8566002 HMUJFBPZNUWQGK-FQEVSTJZSA-N 355.434 4.286 0 40 FIAB C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 9338127 XGTDVQCNSBRLSW-CYBMUJFWSA-N 359.351 4.382 0 40 FIAB Cc1cc2oc(C(=O)NC[C@@H](c3ccco3)N(C)C)c(C)c2cc1Cl 12062859 ZUTGUVHEJLTNQN-HNNXBMFYSA-N 360.841 4.329 0 40 FIAB Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1C(=O)O 12394307 WHLDXZNLIXOARA-SSDOTTSWSA-N 359.373 4.046 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCCC[C@@H]1C(F)(F)F 12812050 GATBTVGJJWTSMR-CMPLNLGQSA-N 353.743 4.095 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 13689471 ODDKUEQZLYPYAM-UHFFFAOYSA-N 360.446 4.067 0 40 FIAB Cc1cc(F)ccc1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 14061134 UQQYGMPCNFFREG-UHFFFAOYSA-N 353.397 4.130 0 40 FIAB Cc1cccc(Cn2cc(C(=O)Nc3ccc(Cl)cc3)ccc2=O)c1 15883075 PRULEHVXQPIJSU-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CCOc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OC 19531988 KZBLALUBUGZDKA-SFHVURJKSA-N 365.477 4.350 0 40 FIAB Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CCc3ccccc3C2)cc1 20121056 KCPMRCVJQHGUNU-JOCHJYFZSA-N 373.504 4.244 0 40 FIAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(Cl)cc3)c12 22606812 FSCIURSDHLIGAU-UHFFFAOYSA-N 374.831 4.333 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3S2)cc1OC 25618222 KDKUCUPHCCSZLX-OXJNMPFZSA-N 369.486 4.084 0 40 FIAB O=C(CSc1ccccc1)Nc1cnn(Cc2ccc(Cl)cc2)c1 28220322 ZLFLEFMLKOYEGP-UHFFFAOYSA-N 357.866 4.316 0 40 FIAB Cc1noc2ncc(C(=O)NCc3ccccc3COc3ccccc3)cc12 30511015 UVGAYPZCNJQMRN-UHFFFAOYSA-N 373.412 4.040 0 40 FIAB COc1cccc(-c2nc(C)c(-c3nn4c(C(C)C)nnc4s3)s2)c1 32089363 RFGJMDPXMLERIR-UHFFFAOYSA-N 371.491 4.417 0 40 FIAB Nc1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)s1 32322513 DJWFWZQAHSHIMS-UHFFFAOYSA-N 354.913 4.113 0 40 FIAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCOCC1 32650137 WSHBJOOAYUSBTB-UHFFFAOYSA-N 365.351 4.272 0 40 FIAB O[C@@H](CO[C@@H]1CCCc2ccccc21)CN(Cc1ccc(F)cc1)C1CC1 32751122 LJICEEKUANFLPZ-FYYLOGMGSA-N 369.480 4.245 0 40 FIAB CCOc1ncccc1CNC(=O)NC(c1ccccc1)c1ccccc1 32801771 BNFNPUVRQKTMJI-UHFFFAOYSA-N 361.445 4.069 0 40 FIAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3c(C)cccc3C)n2)c1 33880111 WKIJGLXMESTFFC-UHFFFAOYSA-N 352.463 4.128 0 40 FIAB CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)s1 40074442 OKRORZSSVBBZNZ-UHFFFAOYSA-N 363.504 4.279 0 40 FIAB Cc1cc(C(=O)N(C2CC2)[C@H](C)c2ccccn2)c2cnn(C(C)C)c2n1 40146225 WNEONUFYSDFZQT-OAHLLOKOSA-N 363.465 4.081 0 40 FIAB CCCN(CC(=O)N(C)C)c1nc(C)nc2scc(-c3cccs3)c12 40158209 MHTIHXBKPSDNLJ-UHFFFAOYSA-N 374.535 4.033 0 40 FIAB COC(=O)Nc1ccc(OC(=O)c2cc3c(nc4sccn43)s2)cc1 51882303 OQTWDGSVADKBLK-UHFFFAOYSA-N 373.415 4.008 0 40 FIAB Cn1ncc2c(N[C@@H](c3ccc(Br)cc3)C3CCC3)ncnc21 54124106 GTMXIQOBTRGQBD-OAHLLOKOSA-N 372.270 4.079 0 40 FIAB COc1ccc(N(C(=O)Cc2noc3ccccc23)[C@H](C)C2CC2)cc1 58151716 JZSQMMIVPOMLNL-CQSZACIVSA-N 350.418 4.211 0 40 FIAB C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 59391135 KWJOPTMAOYAFAH-JTQLQIEISA-N 370.758 4.175 0 40 FIAB O=C(c1nccc2ccccc12)N(Cc1cccc(F)c1)C[C@H]1CCCO1 65477107 NXSQJUGHPZOTHK-LJQANCHMSA-N 364.420 4.195 0 40 FIAB C[C@H](Cc1c(F)cccc1F)NC(=O)N[C@H](C)Cc1c(F)cccc1F 65492977 PURSKOMUVBDNNT-VXGBXAGGSA-N 368.374 4.104 0 40 FIAB CC1CCN(c2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 65585071 LAWIRCLENLXGNT-UHFFFAOYSA-N 362.264 4.334 0 40 FIAB Cc1ccc(C)c(C(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 67206337 JMONMVVXRYXVRN-UHFFFAOYSA-N 356.897 4.270 0 40 FIAB O=S(=O)(Cc1cccc(F)c1)N1CCC(c2c[nH]c3ccccc23)CC1 68875362 GXSUZEVRJLQCMU-UHFFFAOYSA-N 372.465 4.016 0 40 FIAB CSc1nc(Cl)cc(NC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 72203265 GTZCCSXWTWHMRI-LLVKDONJSA-N 372.922 4.053 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccn3)cc1)SCC(O)=N2 79473382 PGWUGNXGWIJUAH-SFHVURJKSA-N 366.446 4.116 0 40 FIAB c1ccc2oc(-c3nnc4sc(CSc5ccncc5)nn34)cc2c1 96193937 VVEUHLIEPVIZDB-UHFFFAOYSA-N 365.443 4.286 0 40 FIAB C[C@H](NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 102185649 COSPCVFARKWNSE-GFYRFMMSSA-N 363.542 4.323 0 40 FIAB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(O)CCCC1=N2 102666411 KGGDTRSRJKSOPI-INIZCTEOSA-N 356.451 4.070 0 40 FIAB Cc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4cccnc4)C3=C(O)C2)cc1 102668215 ASLMFYZAWDNSGR-OXJNMPFZSA-N 357.417 4.047 0 40 FIAB C1=CC(=c2/c(=c3\[nH]c4ccccc4c3=C3C=CC=C3)[nH]c3ccccc23)C=C1 147108105 SELCTRAHLFTCQL-OCEACIFDSA-N 358.444 4.490 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccccc2Cl)s1 224979696 ZYMZHACJDKMPPU-SECBINFHSA-N 357.888 4.098 0 40 FIAB CCCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NC1CCCCC1 225066047 UUJLZFFKYWXKOB-HXUWFJFHSA-N 358.526 4.351 0 40 FIAB CCc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 225164129 YPHWALJDLZYNOB-UHFFFAOYSA-N 369.852 4.154 0 40 FIAB COc1c(C)cc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C 225567908 LVLMRLAFAFVQBT-UHFFFAOYSA-N 353.462 4.307 0 40 FIAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)NCc4cccc5ccccc45)cn1c23 225861525 SHJGMDKTCFTBCY-OAHLLOKOSA-N 368.436 4.202 0 40 FIAB ClC1=C(Cl)[C@]2(Cl)[C@@H]3C[C@@H]4O[C@@H]4[C@H]3[C@@]1(Cl)C2(Cl)Cl 256006977 VMNNMBZKONGDDQ-ZMPWCFMYSA-N 354.875 4.235 0 40 FIAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(C)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257221627 DPXHIMOLYVZCIY-VNHVOUQCSA-N 359.510 4.173 0 40 FIAB COc1ccc(NC(=O)NCCCc2cc3ccccc3o2)c(OC)c1 390828972 CMTVPCKXFPVNKV-UHFFFAOYSA-N 354.406 4.204 0 40 FIAB O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408671934 UNTZYLZOIDWSAB-MRXNPFEDSA-N 365.816 4.452 0 40 FIAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2F)N1c1ccc(F)cc1 408840011 AELAFTPMVWCAGY-CPNJWEJPSA-N 361.351 4.194 0 40 FIAB CCc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccncc2)cc1 409092559 WZNHGXDHPMJIEL-UHFFFAOYSA-N 359.458 4.438 0 40 FIAB CC(C)c1csc([C@H]2CCCN([C@H](C(=O)O)c3ccc(F)cc3)C2)n1 565485390 CWGROWMDRNPMTH-YOEHRIQHSA-N 362.470 4.411 0 40 FIAB C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1csc(N(C)c2ccccc2)n1 626727004 OLVXLYGRMYZLOH-WCQYABFASA-N 369.412 4.324 0 40 FIAB O=C1Nc2cc(Cl)ccc2C([C@H]2CCCOC2)=N[C@H]1Cc1ccccc1 1615058779 WRYNJYJHYNINRP-KXBFYZLASA-N 368.864 4.119 0 40 FIAB Cc1nc2ccccc2n1C1CN(C(=O)CCc2cccc(Cl)c2)C1 1775974105 LDFHNLXXXAISBC-UHFFFAOYSA-N 353.853 4.014 0 40 FIAB COc1cc(NC(=O)c2ccccc2Br)c(OC)cc1Cl 851386 AZLGTFSCBZKZJR-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB CCOC(=O)c1cccc(Nc2cc(C)nc3ccc(C(=O)OC)cc23)c1 949573 KJSUMZVKMUUURC-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc(C)c1C 1102500 LIYBBROOZBQXBJ-UHFFFAOYSA-N 367.854 4.131 0 40 FIAB Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)cc1 1342168 XPWFDGHFXFWRDN-UHFFFAOYSA-N 370.518 4.461 0 40 FIAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1Cc1ccco1 2235124 YSYHAQPXKYNVKI-IBGZPJMESA-N 357.365 4.131 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1ccc(Cl)cc1Cl 2306271 GQGUZARRGVHMTE-INIZCTEOSA-N 351.233 4.036 0 40 FIAB CC(C)(C)c1nn2c(Cl)cc(C(F)(F)F)nc2c1Br 2556082 PQVZXRPOMBXWBX-UHFFFAOYSA-N 356.573 4.462 0 40 FIAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(Cl)s2)cc1 2709061 ZEBWSRPITBAWKM-UHFFFAOYSA-N 365.863 4.305 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1 3217261 AVNNSECMFKIAEY-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)cc1 3300554 UHGWPJAZGUTYPT-UHFFFAOYSA-N 360.841 4.405 0 40 FIAB Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)c(C)c1 3893769 AIPOSJPUOSGZHA-OQUILHJVSA-N 370.474 4.112 0 40 FIAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(-c2ccccc2)cc1 4135033 IFMWYADKDDSEGN-UHFFFAOYSA-N 356.381 4.451 0 40 FIAB CCc1cccc2sc(NC(=O)c3cc4ccccc4oc3=O)nc12 4325796 NPQAKOLPMHWWLW-UHFFFAOYSA-N 350.399 4.217 0 40 FIAB COC(=O)c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2C)c1 4330526 LJWGONNUPHGNQN-UHFFFAOYSA-N 373.865 4.214 0 40 FIAB CC(C)c1ccc2nc(NC(=O)[C@H]3COc4ccccc4O3)sc2c1 4348673 KURZBPYVNIJPEM-MRXNPFEDSA-N 354.431 4.198 0 40 FIAB O=C(O)C[C@H](NC(=O)c1cccc(F)c1)c1ccc(OC2CCCC2)cc1 4686124 OZSVTRJKXXKNBO-IBGZPJMESA-N 371.408 4.093 0 40 FIAB NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(-c2ccccc2)cc1 4851997 VNUZLBXGAAZGPO-UHFFFAOYSA-N 370.408 4.380 0 40 FIAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CNCCc1ccccc1 4894689 PROJJJKVXFPPGE-GOSISDBHSA-N 350.506 4.446 0 40 FIAB CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@@H]1C 5047934 QLRZGUBJCXPDGG-SPEDKVCISA-N 367.574 4.255 0 40 FIAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 5256031 QBTZUNJSJAFMEC-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C)s1 5421567 XSGRUNUZOWXDDI-UHFFFAOYSA-N 354.269 4.100 0 40 FIAB COc1cc(SC)ccc1C(=O)OCc1cn2cc(Cl)ccc2n1 6369074 AQTUUJVGZUDQQL-UHFFFAOYSA-N 362.838 4.075 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 7425086 ZQMLXBOWEMKMAG-UHFFFAOYSA-N 370.474 4.228 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 7471296 PQMIENIWEQJNTF-INIZCTEOSA-N 364.445 4.209 0 40 FIAB Cc1nnc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1C1CC1 7617286 IUDNRFFKWISGEV-SECBINFHSA-N 370.400 4.060 0 40 FIAB COc1cccc(CSCC(=O)Nc2ccccc2OC(F)F)c1 7813550 QSXWCOITJVXWCM-UHFFFAOYSA-N 353.390 4.169 0 40 FIAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c(F)cccc2s1 8072318 NLVATOMDIXNLAF-ZDUSSCGKSA-N 371.433 4.343 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156795 CKHLDTDCONKIFD-INIZCTEOSA-N 366.442 4.045 0 40 FIAB COc1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1OC 8327799 LCNFPQZYFKEDEF-UHFFFAOYSA-N 365.385 4.419 0 40 FIAB CC[C@H](CO)NCc1ccccc1OCc1ccc(Cl)cc1Cl 8337141 JYQKFFMEDNOYKX-MRXNPFEDSA-N 354.277 4.433 0 40 FIAB O=Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 8377451 AMPBZXYYYJICFS-UHFFFAOYSA-N 358.608 4.477 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cc2ccccc2nc1Cl 8516567 RRWZJPATUYMIOQ-SOFGYWHQSA-N 367.788 4.374 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(C(=O)NCC3CCCCC3)cs2)cc1 9318169 BBODGVIUGPTKMU-UHFFFAOYSA-N 372.494 4.406 0 40 FIAB COc1ccccc1-c1cc(CSc2nnc(NC(C)C)s2)on1 9335885 AXOXDJPJCRWJKD-UHFFFAOYSA-N 362.480 4.314 0 40 FIAB COCCn1c(SCc2ccccc2C)nc2cc(Cl)ccc2c1=O 11062287 FJPNWAMFFYNQRG-UHFFFAOYSA-N 374.893 4.297 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CSc2cccc[n+]2[O-])cc1 11071149 HPHUOTJTUMXOOI-UHFFFAOYSA-N 366.442 4.152 0 40 FIAB COc1ccc2cc(CNC(=O)CCC(=O)c3ccc(F)cc3)ccc2c1 11127045 AADPFVCOHWJBFK-UHFFFAOYSA-N 365.404 4.267 0 40 FIAB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1coc(-c3cccs3)n1)C2 11837219 ASNDAOPZFLBPHZ-MRXNPFEDSA-N 356.472 4.045 0 40 FIAB CCOc1ccc(CN2CCC(c3cc4cccnc4[nH]3)CC2)cc1OC 12133369 ZURFUTQFMKYCPI-UHFFFAOYSA-N 365.477 4.350 0 40 FIAB Cc1ccc(C(=O)Nc2c(-c3ccccn3)c(=O)c3ccccc3n2C)cc1 12416245 SVTIVCVANVXGLY-UHFFFAOYSA-N 369.424 4.161 0 40 FIAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)nc2)cc1OCC 12547031 MPXVJROMVYTJCJ-UHFFFAOYSA-N 364.829 4.183 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1COc2ccc(Cl)cc2C1 12624306 DPEGTCZLKFNWTC-CYBMUJFWSA-N 369.770 4.226 0 40 FIAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1Cl 12625991 MKIMJXYHBRUFMM-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 12902093 XNZJDNXXPPVQEU-FUHWJXTLSA-N 358.507 4.104 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1ccc(SC)cc1OC)O[C@@H](C)C2 12978464 DJQJPHRJBKITBU-LBPRGKRZSA-N 373.474 4.392 0 40 FIAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cccc2ccccc12 13573001 UERIMWPFOYWASW-OAHLLOKOSA-N 363.446 4.016 0 40 FIAB O=C(Cc1cccs1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694925 WMPWXBRBLFQMJH-UHFFFAOYSA-N 368.483 4.194 0 40 FIAB COc1ccc(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 14153110 COAIFRAQZRVIRE-UHFFFAOYSA-N 374.868 4.015 0 40 FIAB CN(CCOc1ccccc1Cl)C(=O)CCc1c[nH]c2ccccc12 14197107 UEBGUTDBEMHWPO-UHFFFAOYSA-N 356.853 4.291 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc2ncccc12 14317688 JDWIQAXDIUPZDT-UHFFFAOYSA-N 359.473 4.151 0 40 FIAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)CCC)c2)c1C 14405453 ZNKIAKPKLOQLPK-UHFFFAOYSA-N 356.470 4.291 0 40 FIAB C[C@@H](Sc1nnnn1C1CCCCC1)C(=O)c1cccc(Cl)c1 14676305 VITNPUZGSDNACZ-LLVKDONJSA-N 350.875 4.195 0 40 FIAB CCc1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20143897 GJVOUDRBMUUFKR-UHFFFAOYSA-N 351.402 4.019 0 40 FIAB CC(C)OC(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 20411799 SANFZWDVDFHSOC-UHFFFAOYSA-N 354.431 4.043 0 40 FIAB CC(C)C[C@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 20440587 MXXPUYROBLEDGR-PKTZIBPZSA-N 353.506 4.036 0 40 FIAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20612021 OIAZCSJIUSHQJV-UHFFFAOYSA-N 370.880 4.393 0 40 FIAB Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2cc(F)ccc21 20724509 CHVTUJCOZHFSSS-UHFFFAOYSA-N 355.756 4.048 0 40 FIAB O=c1[nH]c(CN2CCc3ccccc3C2)nc2scc(-c3ccccc3)c12 21821783 ATLLDFNSVATFEX-UHFFFAOYSA-N 373.481 4.210 0 40 FIAB Fc1ccc(CN2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1 22547534 WZMJAGUQDAPJOK-UHFFFAOYSA-N 373.522 4.329 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(Cl)ccn3)n2)cc1 22569287 QUJKVKYUXXDIJB-UHFFFAOYSA-N 372.837 4.069 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)cc1OC 22829047 FNJDKUOMCMMEOA-UHFFFAOYSA-N 354.450 4.337 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1Cl 25331044 ATBQAEIVYBGKKA-CQSZACIVSA-N 373.305 4.096 0 40 FIAB O=C(O[C@H]1CCCC[C@H]1OC(=O)c1ccccc1F)c1ccccc1F 28294362 FHRJEALJEXADSX-HDICACEKSA-N 360.356 4.290 0 40 FIAB O=C(NCCOc1ccc(F)cc1)c1ccc(C2SCCS2)cc1 29296774 DXCSUGXVRKVKPP-UHFFFAOYSA-N 363.479 4.113 0 40 FIAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc2oc(=O)[nH]c2c1 31256502 WJQYBTLVZUGNNB-UHFFFAOYSA-N 366.348 4.092 0 40 FIAB COCCCNC(=O)c1cc(-c2cccnc2)nc2ccc(C(C)C)cc12 32089668 XIQZSZFOPLLAPV-UHFFFAOYSA-N 363.461 4.187 0 40 FIAB CCCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)c2cccnc12 32623472 JXDBUPHWKZBNAU-UHFFFAOYSA-N 374.396 4.382 0 40 FIAB Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cccc(C)c4C)C(=S)N32)cc1 36612378 CPBGECDEMFSZFP-MJGOQNOKSA-N 368.527 4.360 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)c(Cl)c1 38771315 LZYMBAUQNYTXDI-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB CC[C@@H](C(=O)NCCc1ccc(OC(F)F)c(OC)c1)c1ccccc1 39978555 ZEEMPOVEELXVOI-MRXNPFEDSA-N 363.404 4.149 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)N[C@@H](c1ccccc1)c1cccs1 40103197 SEQWHRXLPBKMLR-AWEZNQCLSA-N 356.476 4.388 0 40 FIAB C[C@@H](CCc1ccccc1)N1CCC(C(=O)NCc2ccccc2)CC1 40156912 JXBUCFCIJHPQAD-IBGZPJMESA-N 350.506 4.036 0 40 FIAB Cc1ccc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)cc1 40323895 KEORBHWVTFWWCM-UHFFFAOYSA-N 372.877 4.467 0 40 FIAB COC(=O)c1sc(NCc2cccc(C(F)(F)F)c2)nc1Cl 47255309 DEPJLQRVZPNDTL-UHFFFAOYSA-N 350.749 4.214 0 40 FIAB C[C@H](Sc1nncn1[C@H](C)c1ccccc1)C(=O)Nc1cccc(F)c1 48355503 CWSAALPZSFTAHD-KGLIPLIRSA-N 370.453 4.146 0 40 FIAB C[C@@H](NC(=O)c1cc2ccccc2n1C)c1ccc(NC(=O)C2CC2)cc1 55182119 FYTIMWUMMKDIFM-CQSZACIVSA-N 361.445 4.018 0 40 FIAB COc1ccc(CCC(=O)N2CCCCC[C@H]2c2cccn2C)cc1OC 57816020 CPECHQKYVNQRRG-IBGZPJMESA-N 370.493 4.119 0 40 FIAB COc1ccc(N(C)C(=O)/C=C/c2ccc(-c3ccccc3F)o2)cn1 58270842 PAHREAHHQMETRC-FMIVXFBMSA-N 352.365 4.166 0 40 FIAB Cc1oc(-c2cccs2)nc1C(=O)Nc1cnn(Cc2ccccc2)c1 65479139 RDCFTZNFDCTWOE-UHFFFAOYSA-N 364.430 4.209 0 40 FIAB CCN(CCNC(=O)c1oc2ccccc2c1COC)c1cccc(C)c1 69274420 DCJUZRMQDDWPOH-UHFFFAOYSA-N 366.461 4.144 0 40 FIAB Cc1cc(N[C@@H](c2ccc(F)cc2)c2ccccc2Cl)n2ncnc2n1 71811727 CCCFZIPNXGJTPD-SFHVURJKSA-N 367.815 4.427 0 40 FIAB CCCCC1CCC(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)CC1 75170698 XQMWFLIKYQEOOX-UHFFFAOYSA-N 371.447 4.459 0 40 FIAB Cc1c(C(=O)Nc2ccc(-c3noc(O)n3)cc2)sc2ccc(F)cc12 84067784 NAFMDSNVNMTVIU-UHFFFAOYSA-N 369.377 4.357 0 40 FIAB CN(Cc1ccc(Cl)cc1)c1nc(-c2ccc(N)cc2)cn2ccnc12 95092930 HXQGGKKSEIQLOH-UHFFFAOYSA-N 363.852 4.268 0 40 FIAB c1cc(NCc2ccc3ncccc3c2)cc(N2CCN(CC3CC3)CC2)c1 96999333 XTDNHGZVCASHKS-UHFFFAOYSA-N 372.516 4.379 0 40 FIAB C[C@@]12c3ccccc3[C@](C)(c3c1ccc1ccccc31)[C@H](C(=O)O)[C@@H]2C(=O)O 101184816 HVVHKPSSUDYJIU-WNXIRNOKSA-N 372.420 4.180 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102086452 DCYXTQSPAOVLME-UHQDVWGKSA-N 358.482 4.433 0 40 FIAB COc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1OC1CCCC1 102173967 WNIDPKWDHDBXIC-UHFFFAOYSA-N 351.406 4.145 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1 102301481 VWUBZPQHZSLVEW-PMACEKPBSA-N 374.440 4.011 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccn3)c3ccccc3C2=O)cc1C 102321969 LBAXTKUVKJVTTG-ZHZULCJRSA-N 369.424 4.338 0 40 FIAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Nc1ccc(Cl)cc1 104268723 NFZGAICDILYENF-IEBWSBKVSA-N 355.869 4.488 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCN(Cc2ccc(Cl)cc2)CC1 107133998 YUPJRMFNSDBRKY-OKZBNKHCSA-N 360.929 4.247 0 40 FIAB CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl 128262872 TVXWCZSYYFCLQC-OAHLLOKOSA-N 357.759 4.476 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1C 219289670 MKWADVXRZCRPRC-QAPCUYQASA-N 369.461 4.190 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc(C)c1C 222822044 FSZIDEACZSWMGA-SFHVURJKSA-N 369.461 4.109 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)Nc2cccc(C(=O)OC)c2C)cc1 222884698 BZXRMHIZIAWMBR-LJQANCHMSA-N 355.434 4.140 0 40 FIAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)o2)cc1 223745767 HNWAQRJYLLYGPM-RBUKOAKNSA-N 365.458 4.169 0 40 FIAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1Cl 224132430 PIXDJQPSPMHNEG-UHFFFAOYSA-N 371.820 4.451 0 40 FIAB COc1ccc(C(=O)NCc2ccccc2)cc1COCc1ccccc1 224457644 PYKQEFVSGRMCAY-UHFFFAOYSA-N 361.441 4.342 0 40 FIAB O=S(=O)(Cc1c(F)cccc1Cl)Nc1ccc(N2CCCC2)cc1 224917477 IXJFYPBILSLLDR-UHFFFAOYSA-N 368.861 4.021 0 40 FIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225842209 GKQLAVODGWVWQA-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB CCOCC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257338784 YYYXUEQAXVSEHL-KRWDZBQOSA-N 362.857 4.009 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C2CCN(C(=O)C(F)(F)F)CC2)cc1 381926773 QDIDVEHCVFKCBO-UHFFFAOYSA-N 372.387 4.302 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1CC 408560691 NQCLGWUPIPOWGD-UHFFFAOYSA-N 360.527 4.297 0 40 FIAB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S 409008460 ZBQYZMKOUCLSPT-JYRVWZFOSA-N 367.257 4.331 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ncccc2CSC)cc1F 598866076 LIBOAHWCNCWOEN-INIZCTEOSA-N 360.454 4.070 0 40 FIAB O=C(c1ccc2nc(O)oc2c1)N1C[C@H](c2ccccc2)c2ccccc21 683456713 JXVTXRLFGXGEDA-QGZVFWFLSA-N 356.381 4.326 0 40 FIAB CC(C)Cc1ccccc1CN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 1560116803 JZVRJUPOKPIQIS-NRFANRHFSA-N 352.478 4.342 0 40 FIAB CC(C)SCc1nnc2sc(COc3ccc(Cl)cc3)nn12 1776111006 KFXVBBMXXBAYBD-UHFFFAOYSA-N 354.888 4.060 0 40 FIAB CCOc1ccc2nc(NC(=O)COc3c(C)cccc3C)sc2c1 683190 CNLNDMMUBQUBQS-UHFFFAOYSA-N 356.447 4.329 0 40 FIAB CC(C)[C@H](c1nnnn1C(C)(C)C)N1CCC(Cc2ccccc2)CC1 1327726 PCSBZJUCMCGNBW-LJQANCHMSA-N 355.530 4.080 0 40 FIAB CSc1nc2nccc([C@@H](C)Oc3ccc(Cl)cc3Cl)n2n1 1384788 GNDVKCNQMKOCHR-MRVPVSSYSA-N 355.250 4.293 0 40 FIAB CCOc1ccccc1NCN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 1424954 HJZMUPFUYRHQCA-YBEGLDIGSA-N 358.419 4.093 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1(C)C 1427358 UWCMSFXIYASZKA-MJGOQNOKSA-N 354.494 4.490 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 1471476 KZSGKMOFYHIQCY-UHFFFAOYSA-N 352.478 4.171 0 40 FIAB COCCCn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 2424718 MBJQTAGVMRLSST-UHFFFAOYSA-N 352.825 4.336 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 2488085 YZHJBTBFODZOGE-CHWSQXEVSA-N 366.383 4.176 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=S)NC(=O)c1ccc(Cl)cc1Cl 3259343 BACOIUYLDPSRCY-JTQLQIEISA-N 365.285 4.459 0 40 FIAB COc1ccc(C(=O)Nc2ccc(SC(F)F)cc2)c(OC)c1OC 3325008 JHCSHZOANKSXGT-UHFFFAOYSA-N 369.389 4.279 0 40 FIAB Cc1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 3338772 RLIYUELQRVJZMN-UHFFFAOYSA-N 362.216 4.263 0 40 FIAB C[C@@H]1CCc2sc(C(=O)OCC(=O)c3c[nH]c4ccccc34)cc2C1 3381199 HZOZRXFMPFHFND-GFCCVEGCSA-N 353.443 4.394 0 40 FIAB Cc1cc(C)c(NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c(C)c1 3383206 QFBLFONEZIUSRS-HXUWFJFHSA-N 352.459 4.179 0 40 FIAB CC(=O)Nc1sc2c(c1[C@@H](c1cccnc1)N1CCCC1)CCCC2 4193656 BIYGJTHCMFLRFT-LJQANCHMSA-N 355.507 4.166 0 40 FIAB Cc1ccc(SCC(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 4496440 XFWYZTMVTWQRJE-UHFFFAOYSA-N 360.504 4.337 0 40 FIAB O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2n1)c1ccccc1 5174218 IKYOGSPAPJNLMD-UHFFFAOYSA-N 374.425 4.196 0 40 FIAB Fc1ccc(OCc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 5346691 LARAMYZPMAVDOV-UHFFFAOYSA-N 360.801 4.224 0 40 FIAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccc(C)c1 6226086 OOOMAWJSFQBSBA-UHFFFAOYSA-N 367.474 4.257 0 40 FIAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1ccccc1Cl 7260040 QZABUNNKXXTVDL-SECBINFHSA-N 364.883 4.306 0 40 FIAB CCc1nnc(NC(=O)c2ccc(C3SCCCS3)cc2)s1 7278748 ZAVJQVUNONBYLN-UHFFFAOYSA-N 351.522 4.222 0 40 FIAB Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 7468336 HTQPSGBTYQTKHD-UHFFFAOYSA-N 365.820 4.427 0 40 FIAB CCc1ccccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 8011245 VNIDKROMMUSBFK-UHFFFAOYSA-N 368.521 4.300 0 40 FIAB CCc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 8339264 AJBCOWPRFVJJCK-UHFFFAOYSA-N 352.822 4.299 0 40 FIAB CCCCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)nc1O 8578797 YWTAICZEOKCPCH-UHFFFAOYSA-N 367.453 4.227 0 40 FIAB O=c1c2ccc(Cl)cc2ncn1Cc1csc(-c2ccccc2)n1 8718821 SCWQHLMCMZFYTF-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 9062975 WPMJWJOFZGFOEN-FQEVSTJZSA-N 364.533 4.345 0 40 FIAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Sc3ccccc3)s2)cc1 9347006 NXIMMNLVZPZUIE-LBPRGKRZSA-N 371.487 4.333 0 40 FIAB COc1ccc(/C=C/c2nc3scc(CC(C)C)c3c(=O)[nH]2)cc1O 9481566 ZBVAHYIECMMJOM-FNORWQNLSA-N 356.447 4.068 0 40 FIAB COc1ccc2cc(CNC(=O)NCCc3c[nH]c4ccccc34)ccc2c1 9955624 AFVPOAYKGOJJHY-UHFFFAOYSA-N 373.456 4.372 0 40 FIAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 11409982 CWAUXWVZPQUIQN-UHFFFAOYSA-N 365.458 4.193 0 40 FIAB Fc1cc(F)cc(Cc2nn3c(-c4cc(F)ccc4F)nnc3s2)c1 12323515 XBRLADQGWDFUBR-UHFFFAOYSA-N 364.327 4.000 0 40 FIAB CC[C@@H](C)Nc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 12419385 WRWIDMGFPNZCQL-CYBMUJFWSA-N 360.435 4.286 0 40 FIAB COc1ccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cc1Cl 12755637 NZUFJYJLOIMHOS-AWEZNQCLSA-N 361.825 4.159 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)c1cc3ccc(F)cc3s1)OCO2 12762690 BSRCRQFEDBCAAB-UHFFFAOYSA-N 357.362 4.224 0 40 FIAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc12 12953713 RRIIFLHUGDFTIU-UHFFFAOYSA-N 372.428 4.108 0 40 FIAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCC2)cc1 13673726 DDRVMDLRCYTWFJ-UHFFFAOYSA-N 366.505 4.044 0 40 FIAB COC(=O)c1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 13796199 JLVJSGOKLTTXJV-UHFFFAOYSA-N 354.353 4.301 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)NC12CC3CC(CC(C3)C1)C2 14898247 ZXTCNMDNLOXSID-UHFFFAOYSA-N 350.462 4.278 0 40 FIAB O=C1CC[C@@]2(C(=O)Nc3ccc(F)c(Cl)c3)Sc3ccccc3N12 17579727 XPXBRIVJCUJZQC-KRWDZBQOSA-N 362.813 4.047 0 40 FIAB Fc1ccccc1Cc1nnc2sc(Cc3ccc(Cl)cc3)nn12 19910047 FIXWHQIJFYWGRB-UHFFFAOYSA-N 358.829 4.160 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(=O)OC)c1C 20040812 KCKXZVCEBXUKTI-GOSISDBHSA-N 355.434 4.195 0 40 FIAB c1ccc(CN2CCC(NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1 22934042 QPOVGMHIXVPFSR-NRFANRHFSA-N 369.578 4.139 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 23176895 YFAPNYFHRKGGOK-ZDUSSCGKSA-N 374.366 4.086 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1C(=O)c1cccs1 25707781 ZUVWZVWWSCHUHF-UHFFFAOYSA-N 374.465 4.433 0 40 FIAB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F 27493183 YFINRNNPFZQNMB-SJCJKPOMSA-N 362.832 4.262 0 40 FIAB Cc1ccc(-[n+]2cc(-c3ccc4c(c3)OCCO4)n3c2SCCC3)cc1 27788716 YAHNMFWNPKZJPE-UHFFFAOYSA-N 365.478 4.007 0 40 FIAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCCC1 27822920 YPXNCYRTZFXUOQ-UHFFFAOYSA-N 359.919 4.392 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)sc2ccccc12 32729608 UBEGNWKBSDMFMT-KRWDZBQOSA-N 356.466 4.382 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 32794796 DAWMAWFTEMNFTH-QGZVFWFLSA-N 374.488 4.383 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CCSc2ccc(Cl)cc21 32862358 PJPWVWLLZZCUAX-CYBMUJFWSA-N 362.838 4.427 0 40 FIAB CCOc1cc(/C=C/C(=O)N(CC2CC2)C(C)C)cc(Cl)c1OC 32912888 SHYIBYWOWHTTLP-CMDGGOBGSA-N 351.874 4.408 0 40 FIAB Cc1ncc(NC(=O)Cc2ccccc2)n1-c1nc(-c2ccccc2)cs1 35682928 RJRMJFBDKDFQHF-UHFFFAOYSA-N 374.469 4.485 0 40 FIAB CC(C)c1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2 37866265 NDONWFKCOVRCHO-UHFFFAOYSA-N 359.433 4.390 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)Nc1ccccc1Cl 38593430 ROLQLBYKHZNENA-UHFFFAOYSA-N 350.871 4.271 0 40 FIAB O=C1Cc2cc(NC(=O)C3(c4cccs4)CCCC3)cc3c2N1CCC3 38677392 GAGGSCPJOFUUQG-UHFFFAOYSA-N 366.486 4.034 0 40 FIAB Cc1[nH]c2ccc(C(=O)NCCCCN3C[C@H](C)C[C@@H](C)C3)cc2c1C 40146750 JELCIYUKYBFCFA-HZPDHXFCSA-N 355.526 4.273 0 40 FIAB Cc1cc(C)c2nc(NC(=O)[C@@H]3CCCN(c4ccccn4)C3)sc2c1 40150746 FNLMYTGIEZTNDQ-OAHLLOKOSA-N 366.490 4.163 0 40 FIAB Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1cccc(C)c1C 44883361 SMWRSRGFXSAXFI-SFHVURJKSA-N 357.519 4.429 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C)no2)cc1OC 46086331 KQHAKNXKYZNGLQ-UHFFFAOYSA-N 352.390 4.228 0 40 FIAB CCN(CCNC(=O)c1cc(C2CC2)nn1C(C)(C)C)c1cccc(C)c1 48276027 PEPYCJDSISHEIZ-UHFFFAOYSA-N 368.525 4.080 0 40 FIAB CCN(C)Cc1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1 48355136 CSFOQCAYWVGZGW-UHFFFAOYSA-N 365.304 4.304 0 40 FIAB O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)c1ccc(Cl)cc1 67206786 GNXGEXZFOITKOR-UHFFFAOYSA-N 359.212 4.100 0 40 FIAB O=C(NC[C@H](O)c1cccc2ccccc12)c1ccccc1C(F)(F)F 70636026 KIPOZKHSPWNDGF-SFHVURJKSA-N 359.347 4.322 0 40 FIAB CN(CCCNC(=O)c1c[nH]cc1-c1ccc(F)cc1)c1ccccc1 76041295 IRBRYPDWBYZQAA-UHFFFAOYSA-N 351.425 4.077 0 40 FIAB Cc1ccc(-c2csc3ncnc(N[C@@H](C)CN4CCCC4=O)c23)cc1 84172039 VIJDQIGSCYHRLO-AWEZNQCLSA-N 366.490 4.090 0 40 FIAB COc1cc(CNc2ncn(C3CCCCC3)n2)ccc1OC(F)F 95943660 TYCCXELYPFZVTA-UHFFFAOYSA-N 352.385 4.005 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(Cl)cc1)c1ccncc1 100425755 GOQNWFXKHVRZEX-WOJBJXKFSA-N 369.896 4.051 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@H]2C3)cc1 100519842 COCMZWLQAPPVOH-USNOLKROSA-N 360.457 4.319 0 40 FIAB COc1cccc2c1O[C@@]1(C)[C@H](C)[C@H]2NC(=S)N1c1c(C)cccc1C 100889589 XCSDDJUXFMVBBW-ZVGUJKQYSA-N 368.502 4.493 0 40 FIAB COC(=O)c1cn(C(=O)c2cc3ccccc3cc2OC)c2ccccc12 222621752 LAPJSDCVKBVRMC-UHFFFAOYSA-N 359.381 4.278 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OC 222902220 XZTRCRIYGFQXCR-WQMJKPAKSA-N 365.473 4.473 0 40 FIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccncc1 223483414 DQEGTSDBROCQQW-IAGOWNOFSA-N 366.515 4.019 0 40 FIAB COc1ccc(OCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 224040063 KZLIGGDYAXTLBL-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCOc2ccccc2C)c1 225129738 KLURZKIYGFWHAS-GOSISDBHSA-N 355.478 4.389 0 40 FIAB Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1C 225742180 IGKSODLNWQQWTQ-UHFFFAOYSA-N 353.535 4.038 0 40 FIAB O=C(NCc1ccc(-c2ccco2)nc1)c1csc(-c2ccccc2)n1 225752706 HVYNMWBBXOEVNZ-UHFFFAOYSA-N 361.426 4.395 0 40 FIAB Cc1nnc2sc(-c3ccc(OCc4ccccc4Cl)cc3)nn12 226298480 BJYIVDMEPGROFX-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB COC(=O)c1cc(Cl)ccc1OCc1ccc(Br)cc1 226329373 AKWLIMXGYRDBCL-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@@H](Cc2ccc3cnccc3c2)CC1 257205059 AXLPPLPTRVAIGA-GOSISDBHSA-N 366.505 4.223 0 40 FIAB CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc5c(c4)CCCO5)OCC[C@@]31C2 257278085 OASVPJQAZUQYEM-OPYGSTPGSA-N 369.505 4.030 0 40 FIAB COc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)c(OC)c1 408554298 CYDIEJSMMFOQPY-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(C)cc1 408816083 KJMJOSLRVGFGOE-WQRHYEAKSA-N 369.442 4.249 0 40 FIAB O=C(N1CC[C@H](OC(F)F)C1)C1(c2ccc(Cl)c(Cl)c2)CCC1 585080606 JEGUGLVDFAGNEY-NSHDSACASA-N 364.219 4.255 0 40 FIAB CC(C)CNC(=O)c1cc(NC(=O)c2cc[nH]c2C2CC2)ccc1Cl 585080871 DGZWIUSGEYBYBP-UHFFFAOYSA-N 359.857 4.184 0 40 FIAB CCCOC(=O)[C@@H](C)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 1307512607 FGDFJLKFKYVAIX-OCCSQVGLSA-N 360.281 4.178 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)c3cccc(C(F)(F)F)c3)cc2)cn1 1889298579 DBMXMNRIYRTMIU-UHFFFAOYSA-N 373.378 4.078 0 40 FIAB O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccco1 820629 VXUWXAAZIFKTIQ-GFCCVEGCSA-N 368.047 4.471 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c(C)c1 846911 MLPKMIIFOMNTOJ-OAHLLOKOSA-N 351.402 4.124 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 1364544 DZGLUKIIXJTNMG-CYBMUJFWSA-N 373.865 4.471 0 40 FIAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1ccccc1 1504849 UULQEVGDKCRBSJ-UHFFFAOYSA-N 352.187 4.403 0 40 FIAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1ccc(Cl)cc1 1785050 MAUGTIYUGIMKLU-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB Clc1ccccc1-c1nc2nc3ccccc3nc2n1C[C@H]1CCCO1 2421178 PZOYKZYSFQJINO-CYBMUJFWSA-N 364.836 4.479 0 40 FIAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc2c(c1)OCO2 2556201 FLSNVJAZFWHMHU-XZOQPEGZSA-N 374.392 4.317 0 40 FIAB O=C(COC(=O)Cc1cccc2ccccc12)N[C@H]1CCCc2ccccc21 3508116 HYBPIMOLRGQFIQ-QFIPXVFZSA-N 373.452 4.119 0 40 FIAB COc1cc(SC)ccc1C(=O)OCc1cc(=O)oc2cc(C)ccc12 3513463 ACZAFYGKFQJQEW-UHFFFAOYSA-N 370.426 4.189 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)C1CCC(C)CC1 3895852 SPYOYRJOTQDRTB-TVPLGVNVSA-N 374.525 4.381 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4033168 FUISIKWSXBZGFQ-UHFFFAOYSA-N 358.401 4.047 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)[nH]c2c1 4252200 BWUQTKXWHLHMHP-JTQLQIEISA-N 361.854 4.344 0 40 FIAB Cc1ccc(Cl)cc1-n1ncc2c(NCCc3ccccc3)ncnc21 4354729 GAKREAONIXWSIC-UHFFFAOYSA-N 363.852 4.432 0 40 FIAB O=C(Nc1ccc(OCCc2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 4598956 FHSBIDGOYLEMNL-VQTJNVASSA-N 367.445 4.138 0 40 FIAB CC(C)(C)C(=O)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4732437 VKSOHVADMWYIOG-UHFFFAOYSA-N 369.856 4.292 0 40 FIAB Cc1cccc(COC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)c1 4881256 IJNFUHKWLANIOE-UHFFFAOYSA-N 365.429 4.465 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 4943206 FQWHYVGEIUTEBG-UHFFFAOYSA-N 371.868 4.055 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2cccc(Cl)c2)c1=O 5270581 VFEKIIHKZHXWCS-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB COc1ccc(-n2c(S)nnc2COc2ccc3ccccc3c2)cc1 5447914 NQTNEIPVDDNBDW-UHFFFAOYSA-N 363.442 4.297 0 40 FIAB CCOC(=O)/C(=C\c1cn(C(C)=O)c2ccccc12)[P@@](C)(=O)OCC 6002049 XNEKNLQBLPJNNT-JHSVMATKSA-N 363.350 4.150 0 40 FIAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(Cl)cc1 6649304 UULBQIIXXLSLFV-UHFFFAOYSA-N 368.614 4.126 0 40 FIAB CCN(CC)c1ccc(Nc2nc3ccccc3n3c(C)nnc23)c(C)c1 6781782 PCGSTXGFDZMBLB-UHFFFAOYSA-N 360.465 4.484 0 40 FIAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1ccccc1 6899146 HAOJHQRFUAYBBJ-HNNXBMFYSA-N 355.409 4.208 0 40 FIAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1 6963725 NSBPDEJKZIYSFY-XDOYNYLZSA-N 370.449 4.341 0 40 FIAB Cc1sc(-c2cccc(F)c2)nc1-c1ccc(NS(C)(=O)=O)cc1 7109608 CHCHYSIAUUZUGF-UHFFFAOYSA-N 362.451 4.296 0 40 FIAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)-c1ccccc1C2 7285541 SRFHINZHQXTOMQ-UHFFFAOYSA-N 370.408 4.195 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1c(C)cccc1C 7425407 GRKONAXVGNDUTH-UHFFFAOYSA-N 365.477 4.101 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)SC(=S)N1CCCC1 7443569 QYSRPKGRYYCASF-LLVKDONJSA-N 372.943 4.098 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)Cn3nnc4ccccc43)cc2)cc1 7462205 MYBYCFAFZGHEGD-UHFFFAOYSA-N 358.401 4.171 0 40 FIAB Cc1ccc(OCCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 7504871 KZRWPJQQQLGSQB-UHFFFAOYSA-N 372.896 4.156 0 40 FIAB CC[C@@H](O)c1nc2ccccc2n1CCCCOc1ccccc1OC 7548318 CIMHYOPTOVGTMG-GOSISDBHSA-N 354.450 4.348 0 40 FIAB NC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 7684647 DNMOYCOXYNZDPV-UHFFFAOYSA-N 362.454 4.330 0 40 FIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)o1 7885128 ZNGHKSPZKDSBFI-FQEVSTJZSA-N 362.385 4.083 0 40 FIAB CCOc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1OC 7988376 LDMLVZHZKVSLQK-UHFFFAOYSA-N 364.445 4.440 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c(C)n1 8055873 MYNALJXWGSDOIM-NSHDSACASA-N 363.914 4.279 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc2ccccc2c1C 8709055 GFLNSCDZHVSSCC-UHFFFAOYSA-N 354.431 4.429 0 40 FIAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 8816480 BJQUCPOWWNXSKB-QGZVFWFLSA-N 366.461 4.029 0 40 FIAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(Br)cc1 9227577 CFONQBMDOSQERO-UHFFFAOYSA-N 368.643 4.360 0 40 FIAB Cc1[nH]c2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2c1C 9865222 JPEMTNGLFWCGMT-UHFFFAOYSA-N 361.489 4.311 0 40 FIAB COc1cccc(-c2nnc3sc(COc4ccccc4Cl)nn23)c1 10311695 FGTPHXNMESWCID-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB Cc1ccc2nc(COc3ccc(C(=O)N4CCCCCC4)cc3)cn2c1 10365559 WPZXVMVQJGPIEO-UHFFFAOYSA-N 363.461 4.238 0 40 FIAB C[S@](=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 10577278 HFXHHETUOIRBJW-AREMUKBSSA-N 371.458 4.108 0 40 FIAB Cc1nc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)ccc2n1C 12116130 SLSYPHGNDFCUJD-FQEVSTJZSA-N 373.460 4.125 0 40 FIAB CC[C@@H](C(=O)Nc1[nH]nc(-c2cccs2)c1C)n1cnc2ccccc21 12147450 SDRQFJPIAYNOIB-AWEZNQCLSA-N 365.462 4.386 0 40 FIAB COc1ccc(C2(NC(=O)CCn3nc(C)c(C)c3C)CCCCC2)cc1 12197801 DWQUYWLSPHXMJS-UHFFFAOYSA-N 369.509 4.183 0 40 FIAB Cc1sc2nc(-c3cccs3)nc(N(C)Cc3nccn3C)c2c1C 12581603 CFPFFQMWBDXZJL-UHFFFAOYSA-N 369.519 4.407 0 40 FIAB CC(C)(C)C1CCC(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)CC1 13020239 CRMFPBFXZNPCRW-TVPLGVNVSA-N 356.510 4.469 0 40 FIAB Cc1ccc(-c2csc(NC(=O)CSC3=NCCS3)n2)cc1C 13330614 ICAPWLDPWNUCNP-UHFFFAOYSA-N 363.533 4.201 0 40 FIAB COc1cc2s/c(=N\C(=O)c3ccccc3Cl)[nH]c2c2cccnc12 13720720 BSWQBIXSWUSYPT-UHFFFAOYSA-N 369.833 4.181 0 40 FIAB Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1C 14215267 LPUNZJOLIBPVME-AWEZNQCLSA-N 362.267 4.322 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c2cccnc12 15840657 DSTKHHVYJXJXAD-OAHLLOKOSA-N 350.418 4.266 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 16004432 RTETVXKGGHGGCB-LBPRGKRZSA-N 364.470 4.377 0 40 FIAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(Cl)ccc1Cl 16302047 KTIMMCKHUVEVLS-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cccc(Cn2cccn2)c1 19372808 YIUGUHVOGYGDFU-UHFFFAOYSA-N 374.469 4.231 0 40 FIAB CC[C@@H](CN1CCCC1)n1cncc1-c1c(-c2ccccc2)nn(C)c1C 19719400 XJDVFMNJLJFPCF-IBGZPJMESA-N 363.509 4.306 0 40 FIAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(CCc4ccccc4)C3)ccc12 19742879 FOKSYEFKGKYJMU-SFHVURJKSA-N 363.509 4.200 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1 20040959 IQWOJBPZWMXPOS-HNNXBMFYSA-N 365.429 4.054 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 20105568 NLJWJHQVFGDIIP-INIZCTEOSA-N 373.518 4.324 0 40 FIAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1ccc2c(c1)CCCC2 24227019 IMCDCRQVPJVXNF-UHFFFAOYSA-N 373.500 4.011 0 40 FIAB CC[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCCC1 24798339 PNMMOIBNCCQDEG-LBPRGKRZSA-N 354.878 4.298 0 40 FIAB 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CCOc1ccccc1CNc1nc2ccccc2n1CCN(CC)CC 13749740 SMFADWOMAXANFN-UHFFFAOYSA-N 366.509 4.389 0 40 FIAB O=C(NCc1cccc(Cl)c1)c1cc(Cl)c2c(c1)OCCCO2 14796628 UWKQJQIDQLRKQL-UHFFFAOYSA-N 352.217 4.085 0 40 FIAB CCOc1cc(C=O)ccc1OCCCSc1nnc(C(C)(C)C)o1 15418600 NIFMWTCSPVMXRC-UHFFFAOYSA-N 364.467 4.140 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1csc(-c2ccccc2)n1 15832350 YAOAQXMDZFEDRI-CYBMUJFWSA-N 356.422 4.033 0 40 FIAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2cn3cccc(C)c3n2)n1 19660398 HVEFPLSPHPYHLO-UHFFFAOYSA-N 370.456 4.189 0 40 FIAB CCn1nc(NC(=O)COc2ccc(C)cc2)c2cc3cc(C)ccc3nc21 21596579 YNTBIMQVPRLWHX-UHFFFAOYSA-N 374.444 4.239 0 40 FIAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)cc1 23054866 XFIBNWAMGQBIKJ-GFCCVEGCSA-N 364.442 4.098 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccccc1 27384111 AEPHFUULFLKHJB-HNNXBMFYSA-N 356.491 4.336 0 40 FIAB Cc1csc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)n1 28847745 RDZZYZOICCEXBX-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB CC(C)c1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1 30556763 HOCWWAOIWGSVHN-UHFFFAOYSA-N 366.505 4.101 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 31961254 IPSVDFOKYRIBRP-XNTDXEJSSA-N 355.459 4.055 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3ccccc3Cl)c3c(nc21)CCC3 36359795 FHLDJHMEMQRPFG-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)cc1 40090795 LGEVVKXUAUPHAE-UHFFFAOYSA-N 364.401 4.452 0 40 FIAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccc(Br)o1 40267197 RKSNHCXZIUFMJK-UHFFFAOYSA-N 374.116 4.190 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 44900187 DBSYZJRLKYRARA-MRXNPFEDSA-N 365.788 4.062 0 40 FIAB CN(Cc1ccc(Cl)cc1)Cc1nc(O)c2oc3ccccc3c2n1 46556728 LCICKYUBNVBQIK-UHFFFAOYSA-N 353.809 4.367 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1 48282197 APDSNDIBTWQTPX-ACJLOTCBSA-N 361.401 4.188 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1ccc2c(c1)CCC2 58366726 OKGISRBQPMWMJM-UHFFFAOYSA-N 363.436 4.298 0 40 FIAB CC(C)c1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(Cl)cc2)cc1 67283614 KWGIKFXKPOQWEP-UHFFFAOYSA-N 369.856 4.255 0 40 FIAB C[C@H](OC(=O)[C@H](C)n1c(=O)oc2ccccc21)c1nc2ccccc2s1 71793365 CKTCOOZAGRZIOF-RYUDHWBXSA-N 368.414 4.070 0 40 FIAB CN(c1ccccc1)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72214182 RVPFLPFTOYPCMR-UHFFFAOYSA-N 369.465 4.337 0 40 FIAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCc1ccccc1Cl 78579868 BHTRAKRNIXQPPF-UHFFFAOYSA-N 361.854 4.043 0 40 FIAB Cc1c([C@@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)oc2ccccc12 84068146 OIMCFSVTTUFJAN-BFUOFWGJSA-N 366.392 4.251 0 40 FIAB O=C(O[C@@H](c1ccccc1)c1nccs1)c1ncoc1-c1ccco1 92018944 YQYBYPJHXQSQFD-HNNXBMFYSA-N 352.371 4.338 0 40 FIAB Cc1nc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)oc1C 119423779 HEGYDNOXLGUDGN-UHFFFAOYSA-N 366.261 4.259 0 40 FIAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222915211 KUHNEDMSMLNEDG-RTBURBONSA-N 356.539 4.148 0 40 FIAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCC 223793079 PARABZPOVIDEEQ-QGZVFWFLSA-N 352.906 4.164 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccccc2F)cc1 224617742 KTPQYYQLGCQSHS-LJQANCHMSA-N 359.441 4.131 0 40 FIAB Cc1ccc(CCC(=O)NCc2cccc(CN3CCCC3)c2)cc1C 224638110 QCDQSEFXKVXSGQ-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)Cc2cccc3ccccc23)cc1OC 224942532 DSUMKFKFPOFPBT-INIZCTEOSA-N 363.457 4.352 0 40 FIAB Cc1cc(O[C@H](Cc2ccc(Br)cc2)C(=O)O)ccc1Cl 225065907 ULZLAEMKNGQYKP-OAHLLOKOSA-N 369.642 4.486 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Br)cn1)c1ccc(F)cc1 225195195 PMVCNQKIZWFZIR-VIFPVBQESA-N 354.248 4.031 0 40 FIAB Cc1cc(NC(=S)N[C@@H](C)c2ccccc2)ccc1N1CCCC1=O 225281597 XWTVYPFIJCANRJ-HNNXBMFYSA-N 353.491 4.169 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCSCc2cccc(C)c2)c1 225338321 WVBRKCKYDCPLFC-UHFFFAOYSA-N 374.531 4.001 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Br)c1 225623046 DKTFKQUVWLPOTO-UHFFFAOYSA-N 352.659 4.304 0 40 FIAB CCOc1ccccc1NC(=S)NCCCc1ccc(OC)c(OC)c1 225626957 LOJWEIANPBGPSQ-UHFFFAOYSA-N 374.506 4.022 0 40 FIAB Cc1cc(C)cc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225738682 VVZJGYXDYKDOIR-KRWDZBQOSA-N 353.535 4.431 0 40 FIAB Cn1cccc1CN(C(=O)c1ccc2[nH]c(Cl)nc2c1)C1CCCC1 225982348 KJVFUAOHXHTSAQ-UHFFFAOYSA-N 356.857 4.140 0 40 FIAB COc1ccc(NC(=O)c2cc3cccc(Cl)c3oc2=O)cc1Cl 226039980 KYBIXVQYPWLEGV-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB Cc1cc(C)c(OCC(=O)n2nnc3cc(Cl)ccc32)c(Cl)c1 226359756 OJOMGMRVBXQFGM-UHFFFAOYSA-N 350.205 4.074 0 40 FIAB Cn1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc21 408815267 UVQBDXKEMBWZSX-UHFFFAOYSA-N 352.414 4.080 0 40 FIAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(F)cc2)c1 408844761 UUUJGWSOYDTURA-XSFVSMFZSA-N 357.388 4.364 0 40 FIAB CN(Cc1cccc(O)c1)C(=O)c1csc(-c2cccc(Cl)c2)n1 523578334 HRCNZMMKDQRVPD-UHFFFAOYSA-N 358.850 4.441 0 40 FIAB COCCn1ccc2c(NC(=O)[C@H](CCSC)n3cccc3)cccc21 575444044 VYXUXLZXMLBMIG-IBGZPJMESA-N 371.506 4.022 0 40 FIAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 575618153 SMVQOJDHTNPELI-SFHVURJKSA-N 372.472 4.232 0 40 FIAB O=C(C[C@H]1C[C@H]2CC[C@H]1O2)Nc1ccc(Oc2ccc(Cl)cc2)nc1 576797897 RSRJFRZNOMZNHO-CSMYWGQOSA-N 358.825 4.423 0 40 FIAB COc1ccc2c(c1)N(C(=O)[C@@H](Cc1cccnc1)C1CCCC1)CCC2 1280443351 GCJNKHIXVWRIMQ-NRFANRHFSA-N 364.489 4.419 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCc2sc(Nc3ccccc3)nc21)c1ncco1 1554042023 DPPLKEFXLHZQEZ-TZMCWYRMSA-N 368.462 4.172 0 40 FIAB O=C(CC1CCCC1)N1C[C@H]2CCC[C@]2(c2nc(-c3ccccc3)no2)C1 1615542201 FNQNPBITLISIPN-GCJKJVERSA-N 365.477 4.197 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)Nc1ccccc1F 1775966819 CMRQXAYNIHYARF-SFHVURJKSA-N 356.422 4.409 0 40 FIAB FC(F)(F)c1cccc(N2CCC(COc3ccncc3Cl)CC2)n1 1889115693 JKHJEHJWHKKKCU-UHFFFAOYSA-N 371.790 4.444 0 40 FIAB CC(C)(C)C(=O)NC1CCN(C(c2ccccc2)c2ccccc2)CC1 2087157785 AWJVPZOYCFTEHZ-UHFFFAOYSA-N 350.506 4.403 0 40 FIAB Brc1ccc2nc(N3CC[C@H](c4ccccn4)C3)sc2c1 2298092169 BAAPRDSHRYYFNV-NSHDSACASA-N 360.280 4.448 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 828065 FFCRMLMOAIWTRZ-UHFFFAOYSA-N 372.428 4.380 0 40 FIAB O=C(CSc1ccccc1C(=O)O)c1ccc(Br)cc1 834820 VDMFLVMQHQPVAU-UHFFFAOYSA-N 351.221 4.122 0 40 FIAB COc1ccc(-c2cc3nc(C)cc(NCc4cccc(F)c4)n3n2)cc1 1340753 BFZNXBDTKJXAAJ-UHFFFAOYSA-N 362.408 4.465 0 40 FIAB COc1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)cc1 1464168 ANNBREHTBSDHMA-JOCHJYFZSA-N 361.441 4.044 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)N(C)C)cc12 2362603 NZOXLEWKTNCDIW-UHFFFAOYSA-N 353.374 4.337 0 40 FIAB biogenic CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 2380918 DOFROLBQZCKQDV-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB C[C@H](Sc1nnc(N)s1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3467098 PKWBFNZNCPOPAA-NSHDSACASA-N 372.475 4.032 0 40 FIAB CCCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033435 GXOJSHMARNXPTO-OAHLLOKOSA-N 351.425 4.496 0 40 FIAB CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 4435722 JIPKJLSLSTXLAC-UHFFFAOYSA-N 371.308 4.104 0 40 FIAB Fc1ccc(-c2nnc3sc(COc4ccccc4Cl)nn23)cc1 4664956 XYHVRBCODSVYBR-UHFFFAOYSA-N 360.801 4.224 0 40 FIAB CCOc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 4753810 VVSCWIBJRONPRF-UHFFFAOYSA-N 350.447 4.284 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)o2)cc1 4934380 VEAHVTMEXMOLGO-CQSZACIVSA-N 353.447 4.088 0 40 FIAB CC1=C(C)CS(=NC(=O)c2ccccc2)N(C(=O)c2ccccc2)C1 5002785 QZUBPCMPPWTIGQ-UHFFFAOYSA-N 352.459 4.036 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c(C)c1 5169633 CVIFILORXSPGOH-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB NC(=O)c1ccccc1OCc1cn(-c2ccccc2)nc1-c1ccccc1 6991815 UWFFHAZJHALJCO-UHFFFAOYSA-N 369.424 4.217 0 40 FIAB CC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 7069100 NMWNPQBNRHIRNP-UHFFFAOYSA-N 369.808 4.164 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)o2)cc1F 7167684 AMTADSLCMYAKLT-NSHDSACASA-N 361.398 4.205 0 40 FIAB CCn1c(Cc2ccc(OC)cc2)nnc1SCCOc1ccccc1 7341788 JKVSZHOMBPMGAW-UHFFFAOYSA-N 369.490 4.069 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1C1CC1 7618399 WPRAOQWYCXFXJQ-CYBMUJFWSA-N 366.490 4.448 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 7752372 AYEFSTWHMWHENA-QGZVFWFLSA-N 351.450 4.186 0 40 FIAB C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(F)cc1 7962610 VTJGVDDFKOGQSS-CQSZACIVSA-N 372.440 4.341 0 40 FIAB O=C(NCc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 8025645 BPTWLGFTTHCWRJ-UHFFFAOYSA-N 364.276 4.025 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)C(C)C)cc3)oc2c1 9064269 YKAKXNUNIQQXOA-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB Cc1ccc(C2=CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)cc1 9497914 FFXWHGADCHXKFR-UHFFFAOYSA-N 373.456 4.294 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)Nc2ncccc2C)cs1 10430810 ZNYVVCLTOLFILH-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10493394 XXPQVQTZSSKMTQ-UHFFFAOYSA-N 371.362 4.421 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1 11092442 BUQJTXXUKSAPPF-KKSFZXQISA-N 368.477 4.080 0 40 FIAB CCOc1ccc(CN2C[C@@H]3CCC[C@H](C2)C3N2CCCCC2)cc1OC 12252326 OCZWASNPLHCUFR-DETIRCLXSA-N 372.553 4.180 0 40 FIAB COc1ccccc1C1(O)CCN(Cc2[nH]c3ccc(C)cc3c2C)CC1 12344587 YBDZASSWAPEPNW-UHFFFAOYSA-N 364.489 4.277 0 40 FIAB Cc1noc(C)c1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 12559676 HRTBYEGFFPQGKI-UHFFFAOYSA-N 356.382 4.059 0 40 FIAB CCCn1ccnc1S[C@H](C)C(=O)Nc1ccc(Br)cc1 12577273 CGQSGUQYXGBREZ-LLVKDONJSA-N 368.300 4.175 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 12727918 DNWJMWAGFNNGRU-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12929340 FYLNPICWRQUABG-INIZCTEOSA-N 366.461 4.261 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1sc(-c2ccccn2)nc1C 12999237 JOZKGYPNZGPDJG-GFCCVEGCSA-N 353.447 4.013 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(Cl)sc1Cl 17856576 JUEUTZHMYZONGK-UHFFFAOYSA-N 357.262 4.040 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1c[nH]c2ccccc12 17940902 OPKGBZOPZOIWAN-UHFFFAOYSA-N 353.765 4.228 0 40 FIAB Cc1cccc(C)c1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C 19911250 CQJUCDHDETZGGP-UHFFFAOYSA-N 372.375 4.046 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 20108019 SJNXPGFUOPSQIJ-ZDUSSCGKSA-N 361.463 4.222 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1cccc(OC)c1 20454955 LLSZXHZTWODBBJ-NRFANRHFSA-N 355.478 4.218 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1 20488586 VYWKXVLTRFZJEP-UHFFFAOYSA-N 368.658 4.140 0 40 FIAB CCN1CCc2nc(NC(=O)c3ccc(-c4ccc(F)cc4)o3)sc2C1 21295480 OBESQPSMTWJAKQ-UHFFFAOYSA-N 371.437 4.173 0 40 FIAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907075 DJRNLSMWDADFIW-NRFANRHFSA-N 360.457 4.117 0 40 FIAB C[C@H](c1nnc(-c2ccccc2)o1)N(C)CC(=O)Nc1ccccc1Cl 23038200 OCTLIUXGBPTHEU-CYBMUJFWSA-N 370.840 4.022 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccccc1OC(F)F 23199872 DOXLZQOYTODLFP-UHFFFAOYSA-N 361.369 4.150 0 40 FIAB O[C@H](CSc1nc(NC2CC2)c2ccccc2n1)c1ccc(F)cc1 25225968 CRJSZBITQABXIC-QGZVFWFLSA-N 355.438 4.169 0 40 FIAB CCCn1ccnc1S[C@@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 26042017 QXOUNOVSJJCJCL-AWEZNQCLSA-N 359.495 4.251 0 40 FIAB COCCn1c(-c2ccccc2)c(NC(C)=O)s/c1=N\c1ccccc1 27015945 SGSQFWSUCTXIOZ-XDOYNYLZSA-N 367.474 4.054 0 40 FIAB CCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 27584143 IAZIYCRCNGOEJX-GOSISDBHSA-N 372.534 4.494 0 40 FIAB CCCCOc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 32594030 UGIKWMOEICEVML-IBGZPJMESA-N 356.466 4.025 0 40 FIAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)Cc3c(C)noc3C)n2c1 32721492 QLVBFEZLRJGZEI-UHFFFAOYSA-N 360.417 4.096 0 40 FIAB O=C(Nc1ccccc1Cn1cccn1)c1ccc(F)cc1Br 32832881 OPNQDTIWRXYNLT-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2ccccc2[nH]1 33063954 BPDIQNYGPFDHTP-UHFFFAOYSA-N 372.877 4.362 0 40 FIAB FC(F)(F)c1ccc2nn(CN(C3CCCC3)C3CC3)c(=S)n2c1 36390933 PDCCFRXXKQPGMK-UHFFFAOYSA-N 356.417 4.249 0 40 FIAB CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccc(Cl)cc1C 38536869 BDTXGVRFKRNJJJ-UHFFFAOYSA-N 366.918 4.189 0 40 FIAB O=C(Nc1ccccc1-n1cncn1)N[C@@H](c1cccs1)C1CCCC1 40104735 NOQSCJRZMNCZRU-GOSISDBHSA-N 367.478 4.382 0 40 FIAB COc1cc(C(=O)N2CCCc3ccc(F)cc32)ccc1OC(F)F 40117202 ZXYGBVCAKVVFND-UHFFFAOYSA-N 351.324 4.029 0 40 FIAB O=C(NCCSC1CCCC1)Nc1cccc(-c2nc(C3CC3)no2)c1 40152313 XKXFWXCOOKNLQS-UHFFFAOYSA-N 372.494 4.411 0 40 FIAB Cc1cccc(C(=O)NCCCc2nc(-c3ccc(Cl)cc3)no2)c1 41097308 BKUMECJNTHWLBK-UHFFFAOYSA-N 355.825 4.061 0 40 FIAB O=C(NCCCc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 44909196 HAJMTEAQMXSXHK-FQEVSTJZSA-N 370.924 4.301 0 40 FIAB C[C@H](C(=O)Nc1nc(-c2cccs2)cs1)n1cnc2ccccc21 46083347 BYOQAQZKDHMPRY-LLVKDONJSA-N 354.460 4.421 0 40 FIAB CNc1nnc(Sc2nc(C)nc3sc4c(c23)CCCCC4)s1 48234945 BNZNZYTVCAACAH-UHFFFAOYSA-N 363.537 4.313 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3oc4c(c3C)C(=O)CCC4)o2)cs1 49615625 GGWGMQABSLZANS-UHFFFAOYSA-N 370.430 4.062 0 40 FIAB COc1cc(OC)c(C2=CCN(Cc3cccnc3Cl)CC2)c(OC)c1 58175200 FFAVCYBCRBHMBH-UHFFFAOYSA-N 374.868 4.050 0 40 FIAB CC(=O)Nc1ccc(CN[C@@H]2CCc3cc(Br)ccc32)cc1 58202857 MTUVPLXWQVXWNL-GOSISDBHSA-N 359.267 4.185 0 40 FIAB C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1Br 72230400 IMEOVYZVXAFKKC-LBPRGKRZSA-N 360.317 4.010 0 40 FIAB C[C@H]1[C@@H](N2CCCC2)Oc2cc3c(cc2[C@H]1c1ccc(F)cc1)OCO3 73293779 WTOYXTZDCYEBQM-PZVFOTJXSA-N 355.409 4.137 0 40 FIAB C[C@](O)(CNC(=O)Nc1cccs1)c1ccc(-c2ccccc2)cc1 75155399 QULVNXYFZWQTGZ-FQEVSTJZSA-N 352.459 4.444 0 40 FIAB O=C(Nc1ccccc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 75165904 YNSAUPOZPNVQDV-MSOLQXFVSA-N 353.422 4.368 0 40 FIAB O=C(c1cccc(Cl)c1Cl)N1CCC[C@@H](NCc2ccccc2)C1 84539303 WDTLKLSGRLBWPC-OAHLLOKOSA-N 363.288 4.388 0 40 FIAB O=C1COc2c(cccc2C(=O)N2CCC[C@H]2c2cccc3ccccc23)N1 84598318 ALWADIUBXGIVBE-FQEVSTJZSA-N 372.424 4.148 0 40 FIAB COc1ccccc1COc1ccc(-c2csc(C)n2)cc1C(=O)O 85397523 PFSMUXSXOOWOTQ-UHFFFAOYSA-N 355.415 4.404 0 40 FIAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H]1c2ccccc2CCC1(C)C 89505747 DKNKBEGMDURAME-VLIAUNLRSA-N 353.510 4.045 0 40 FIAB CO[C@@](C)(CNC(=O)Nc1c(F)cccc1F)c1cccc(Cl)c1 96393265 KGIJPDSSXNFIAH-KRWDZBQOSA-N 354.784 4.302 0 40 FIAB O=C1S/C(=C/c2cccs2)C(=O)N1CCCOc1ccc(F)cc1 96936335 PJBPDOGBALVWGK-RVDMUPIBSA-N 363.435 4.393 0 40 FIAB COc1ccc(-c2nc(C[S@](=O)c3cccc(OC)c3)cs2)cc1 108064201 CNSYFAODYZVLOW-XMMPIXPASA-N 359.472 4.135 0 40 FIAB CC[C@H](NC(=O)COc1cc(C)cc(C)c1C)c1ccc(OC)c(OC)c1 218969888 BWTKNUJEFBZDHS-SFHVURJKSA-N 371.477 4.275 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)c1 219528904 IVJDDMNLMFCGQI-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(C)cc1C 222646033 BCLGCYFCXDEDAM-IBGZPJMESA-N 353.462 4.275 0 40 FIAB Cc1ccc(NC(=O)c2ccc(C)cc2I)cc1 225009226 BUJTZEAFYLEPPN-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053375 XAGJMOXRQZNSSN-KRWDZBQOSA-N 370.474 4.013 0 40 FIAB C[C@H](NC(=O)c1snnc1-c1ccc(Cl)cc1)c1ccc(F)cc1 225772310 MATSMYZBJGVCQD-JTQLQIEISA-N 361.829 4.489 0 40 FIAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225826422 CDWOJXZGEBDGSQ-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB COCCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C 225865459 ZTUKUHKEFKLNTF-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB Cc1cccc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc12 226034623 SYSKAUKNQUWSRF-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB CCOc1c(OC)cc(Br)c2c(Cl)c(C(=O)O)sc12 228976269 NEVZPCSOLWQKKO-UHFFFAOYSA-N 365.632 4.423 0 40 FIAB Fc1ccccc1-c1noc(CCc2nnc(-c3ccc(Cl)cc3)o2)n1 545589660 AROAWPSOKPEXNI-UHFFFAOYSA-N 370.771 4.364 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)N1CC2(CCC2)[C@H]1c1ccccc1 567445871 DBJPZXLZLICIKV-LJQANCHMSA-N 359.433 4.026 0 40 FIAB O=C1C[C@@H](C(=O)OCc2ccccc2)Nc2cc(Cl)cc(Cl)c21 575423485 NVKFMSFPKSFQBG-AWEZNQCLSA-N 350.201 4.104 0 40 FIAB CC(C)[C@H](C(=O)Nc1ccc2[nH]ccc2c1)N1C(=O)C[C@@H]1c1ccccc1 575442817 CHVJFUMDBXCWHP-TZIWHRDSSA-N 361.445 4.105 0 40 FIAB COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc4nc(C)oc4c3)C2)c1 578611336 IOKAXWDMBBETBX-QAQDUYKDSA-N 350.418 4.163 0 40 FIAB Cc1cc(C(=O)N[C@@H](C2CC2)C(F)(F)F)ccc1NC(=O)CC(C)C 585083251 HRAVIFQPYPWKLH-INIZCTEOSA-N 356.388 4.050 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1ccc(-c2ccco2)cc1 585147927 IFXKECYHDQWHDA-LJQANCHMSA-N 369.848 4.382 0 40 FIAB O=C(N[C@H]1CCC[C@@H](CO)C1)c1ccc(COc2ccc(Cl)cc2)cc1 665672788 TVXIUIQAHPHKNU-APWZRJJASA-N 373.880 4.200 0 40 FIAB O=C(NCc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966808 AZVZKQHYMYFLFX-LJQANCHMSA-N 370.449 4.087 0 40 FIAB Cc1nc(CN2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCCC[C@H]23)cs1 2037834963 LYHYOLLMTPBXQQ-ZJOUEHCJSA-N 369.534 4.216 0 40 FIAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccc(Cl)c1 869746 JWHJNIFPXZMQIW-UHFFFAOYSA-N 357.763 4.073 0 40 FIAB CC(C)OC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2269330 FEERPNSXPCRJQG-UHFFFAOYSA-N 352.438 4.237 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2ccc3nc(C)sc3c2)cc1 2627978 UMLZDZLVSWVREB-UHFFFAOYSA-N 354.431 4.215 0 40 FIAB Cc1ccc(C)c(NC(=S)N(CCN(C)C)[C@@H](C)c2cccnc2)c1 2934093 OWAZAURZBHZMBQ-KRWDZBQOSA-N 356.539 4.020 0 40 FIAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccccc3F)C2=O)cc1 3323575 MZLMFLYMCRIHCZ-OAQYLSRUSA-N 354.425 4.090 0 40 FIAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC1CCCCCC1 3340162 HKSAOACGYIRGMX-UHFFFAOYSA-N 368.264 4.154 0 40 FIAB aggregator COc1cccc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 3621446 TXKHCJCZLDKQMN-UHFFFAOYSA-N 367.430 4.029 0 40 FIAB Brc1ccc(-c2nnc(-c3ccc(Br)o3)o2)o1 3848433 ODVIKQCRUUGOHA-UHFFFAOYSA-N 359.961 4.115 0 40 FIAB biogenic CCOC(=O)c1sc2nc(NC(=O)CCc3ccccc3)sc2c1C 4088304 YVIZXNNGLJTGIH-UHFFFAOYSA-N 374.487 4.414 0 40 FIAB COCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NC1CCCC1)CC2 4222666 KBJNTRHMGDKQQW-FUHWJXTLSA-N 373.537 4.128 0 40 FIAB biogenic,in-vitro Cc1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 4464130 CMRSXARHSJRBOD-GHRIWEEISA-N 366.442 4.060 0 40 FIAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1 4599943 HVXXEISCNMUMFE-CXUHLZMHSA-N 371.414 4.398 0 40 FIAB COc1cccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)c1 4704954 BYPGCONRFPSSDJ-UHFFFAOYSA-N 363.335 4.474 0 40 FIAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccccc1 4816834 FQTYWHSZCZWEJE-QZTJIDSGSA-N 366.852 4.409 0 40 FIAB CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(C)c(Cl)cc1Cl 4950232 PRYLZEWIXPNTJV-UHFFFAOYSA-N 374.245 4.028 0 40 FIAB CNC(=O)O[C@@H]1CCC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 5082902 MTSKCWQNZUQOHN-NHCUHLMSSA-N 352.478 4.356 0 40 FIAB Cn1c(-c2ccc(Cl)cc2)nn(CN2CCc3ccccc3C2)c1=S 5603443 OEIGCTCTTRWADJ-UHFFFAOYSA-N 370.909 4.287 0 40 FIAB CCCCN(CC(C)C)C[C@H](O)CNc1cc(OC)cc2ccc(C)nc12 5837723 IFQDOXUHSQAZMH-LJQANCHMSA-N 373.541 4.083 0 40 FIAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O 5936609 VJBOOJURUIVOAL-XIKOKIGWSA-N 368.399 4.342 0 40 FIAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1cccc(Cl)c1Cl 5940240 NOPZNWUQVUUSSO-JTQLQIEISA-N 367.232 4.204 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1 6510658 XFOWDLHMCKRFSO-HXUWFJFHSA-N 371.440 4.133 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 6721349 FSTHUEWLUJVAOL-QJPTWQEYSA-N 360.570 4.356 0 40 FIAB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(C(C)(C)C)cc2)NC3=O)c1 6753317 DCAHDBODRHGVOV-GOSISDBHSA-N 361.445 4.216 0 40 FIAB CCOc1cccc2cc(-c3nc(-c4ccccc4F)no3)c(=O)oc12 6867999 VMWUCZGLBPHNAX-UHFFFAOYSA-N 352.321 4.048 0 40 FIAB CC(C)CNc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 7268475 GAISZLVACRFBGJ-LLVKDONJSA-N 360.508 4.451 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CCCCC1 7437637 PCVSBKGZVLDYKF-SNVBAGLBSA-N 360.679 4.319 0 40 FIAB CCOc1ccc(CCNC(=O)CSc2ccccc2C)cc1OCC 8352210 VQYXLDZPKRJWMQ-UHFFFAOYSA-N 373.518 4.243 0 40 FIAB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1/C=C/c1ccccc1 9009565 AMOUOHUNBLYWGV-KQDNUWKFSA-N 359.429 4.207 0 40 FIAB COc1cc(C(=O)O[C@H](C)C(C)=O)ccc1OCc1ccccc1Cl 9179440 HJGRYMSXRDEMTF-CYBMUJFWSA-N 362.809 4.062 0 40 FIAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(C(=O)NC2CC2)c1 9500986 KEPFUEQHKYGVMA-UHFFFAOYSA-N 363.244 4.067 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)c(C)c1 10446273 UHRJJFQWQAYZBX-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB COc1ccc(-c2nsc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 11914851 XNAJKXGPQJYNIQ-UHFFFAOYSA-N 369.446 4.253 0 40 FIAB C[C@H](CC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)c1ccccc1 12602253 VEDLRBDBCUGPII-FOIQADDNSA-N 367.880 4.473 0 40 FIAB Cc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12944259 YEUMFRIMIOELQL-UHFFFAOYSA-N 351.337 4.491 0 40 FIAB COc1ccc(OCCSCCC(=O)Nc2cccc(Cl)c2)cc1 13017550 BFXQDIGBQUVPAJ-UHFFFAOYSA-N 365.882 4.489 0 40 FIAB C[C@@H](CNC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccccc1 13019171 PAOLKPVTCRZZTG-AWEZNQCLSA-N 370.449 4.395 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(-c3ccccc3)cc2)C1 13674514 SLXIHUDESNWVTR-RTBURBONSA-N 350.506 4.451 0 40 FIAB CSc1nc2ccc(NC(=O)c3cn4c(C)cccc4n3)cc2s1 14501024 UMEZOPPCSYXCSY-UHFFFAOYSA-N 354.460 4.227 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1 14951630 CTCSDLOXDMCZPM-UHFFFAOYSA-N 359.404 4.154 0 40 FIAB CC(C)COc1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 17573558 SVTJRCMYQAPBNI-UHFFFAOYSA-N 352.438 4.299 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 18239029 YXXCIEOIMVNLQV-OAQYLSRUSA-N 361.397 4.430 0 40 FIAB CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1NC(=O)C1CCCC1 19018136 LCCXZGQNFJXWMT-FQEVSTJZSA-N 368.502 4.371 0 40 FIAB O=C(Cc1cccc(Cl)c1)N1CCC(c2cc3ncccc3[nH]2)CC1 19293353 HKYDVRNKUOGCBZ-UHFFFAOYSA-N 353.853 4.165 0 40 FIAB COc1ccc(N=c2c(C(=O)O)c[nH]c3c(C)cc(Cl)cc23)cc1OC 19795509 PLLMJHYKVNGTPJ-UHFFFAOYSA-N 372.808 4.078 0 40 FIAB COc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1 20799293 WFFPHNKMLXLUEJ-UHFFFAOYSA-N 356.425 4.429 0 40 FIAB Cc1nc2sc([C@H](c3cccc(F)c3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 23157370 LCHHKAQCJBIDHU-HSMVNMDESA-N 374.485 4.011 0 40 FIAB O=S(=O)(Nc1ccccc1-c1cccs1)c1cccnc1Cl 25453362 YUSCQXBUQKUGJN-UHFFFAOYSA-N 350.852 4.264 0 40 FIAB C[C@H](Oc1ccc(F)cc1F)C(=O)NCc1cccc(C(F)(F)F)c1 27975629 REHNAVSKYDZJBT-JTQLQIEISA-N 359.294 4.067 0 40 FIAB COc1cccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 28232801 DPAFWKFUVKDPOE-UHFFFAOYSA-N 372.421 4.284 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)CN(C)[C@@H]1CCc2ccccc21 29810636 LMJIMYOJVOMEEH-LJQANCHMSA-N 360.860 4.057 0 40 FIAB Cc1ccc2cc(C(=O)N3CCCN(Cc4ccccc4C)CC3)[nH]c2c1 31765383 BNTOIJAEWGYFTL-UHFFFAOYSA-N 361.489 4.133 0 40 FIAB CCOC(=O)c1sc2ncnc(Oc3ccc(F)cc3F)c2c1C 32509625 ZGXLIMDMMQMRPW-UHFFFAOYSA-N 350.346 4.247 0 40 FIAB COc1ccc(-c2cc(NC(=O)[C@@H]3CCCO3)ccc2OC(F)F)cc1 32721335 TZOMHQQYMDJYCX-KRWDZBQOSA-N 363.360 4.081 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1ccccc1F)c1ccc(NC(=O)C2CC2)cc1 32794969 CRXBUWLQGNEBNA-UONOGXRCSA-N 369.440 4.296 0 40 FIAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCCCC2 33186622 YLWQZIUKXGLFDZ-UHFFFAOYSA-N 370.518 4.414 0 40 FIAB C[C@H](Sc1nccn1-c1cccc(F)c1)c1nc(-c2cccnc2)no1 40042754 NEVIZMDRQRZVKA-LBPRGKRZSA-N 367.409 4.310 0 40 FIAB CC(C)SCC(=O)Nc1ccc(I)cc1Cl 40090831 HYMDJAGBIPHXEX-UHFFFAOYSA-N 369.655 4.025 0 40 FIAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(C(C)C)cc3C(C)C)nc2n1 40133748 LKGZZLLDZYRGEC-UHFFFAOYSA-N 365.481 4.169 0 40 FIAB CCOc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 40478409 AEGJYMLAAYTSDN-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCOCC1 41763074 PBZFJHKZVBCUKN-UHFFFAOYSA-N 363.379 4.070 0 40 FIAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 42161103 ONHCBYQLJPXAML-ZDUSSCGKSA-N 352.459 4.021 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2CC)c(C)c1 44841504 AHRPPTLYGWPNRK-OAHLLOKOSA-N 355.434 4.140 0 40 FIAB COC1CCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)CC1 54021856 YFNWJLDUOJHRAV-OAQYLSRUSA-N 364.445 4.343 0 40 FIAB O=C(CCCc1cccs1)NCC1(c2cccc(F)c2)CCOCC1 55451345 UIRYWTZWDORRIK-UHFFFAOYSA-N 361.482 4.075 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)C3(c4ccc(C(C)(C)C)cc4)CC3)C2)n1 56131365 CFFAATALADRJKZ-MRXNPFEDSA-N 367.493 4.113 0 40 FIAB CCN1C[C@H](CN(C)Cc2cc(Cl)nc(Cl)c2)Oc2ccccc21 58421201 BVYAHNZTHPNKMW-AWEZNQCLSA-N 366.292 4.108 0 40 FIAB Cc1ccc(-n2nnc(C(=O)NCc3cc4ccccc4[nH]3)c2C(C)C)cc1 58903585 SWZPEHLJSCIINP-UHFFFAOYSA-N 373.460 4.110 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)c2ccc(-c3ccccc3F)o2)o1 60641148 RFXHJKXENUQZQW-UHFFFAOYSA-N 365.364 4.484 0 40 FIAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCC[C@H]1c1cccs1 69117138 BQJGZGSWAFFAMP-ZDUSSCGKSA-N 357.460 4.037 0 40 FIAB CC(C)[C@H]1CCCN1C(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 71845363 VVPHCLDJSIGVDB-DLBZAZTESA-N 352.425 4.495 0 40 FIAB O=C(Cc1ccncc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349438 RMPVUIZUJBYWQV-UHFFFAOYSA-N 371.484 4.016 0 40 FIAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cccc(OC(F)F)c2)C1 72405714 XOVKIWFZAYIPBY-CQSZACIVSA-N 359.332 4.249 0 40 FIAB CCOC(=O)c1c(C)nc2c(c1-c1cccc(Cl)c1Cl)C(=O)OC2 77286613 CRGJSDBHFOEERK-UHFFFAOYSA-N 366.200 4.211 0 40 FIAB in-vitro C[C@@H](NC(=O)CCc1ccc(F)cc1)c1noc(-c2ccc(Cl)cc2)n1 79024786 JNBJGXBHZCEMIG-GFCCVEGCSA-N 373.815 4.339 0 40 FIAB Cc1noc(C)c1COc1ccc([C@H]2SCC(O)=Nc3[nH]ncc32)cc1 79493682 CJIHUERRAOREBY-QGZVFWFLSA-N 370.434 4.018 0 40 FIAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cccc2[nH]ccc12 95408262 ONWBZKJZTYFPOQ-UHFFFAOYSA-N 359.385 4.373 0 40 FIAB CC[C@@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-n2ccnc2)nc1 95950614 DXJOYUGFEWOXDM-GOSISDBHSA-N 364.449 4.187 0 40 FIAB O=C(c1ccco1)N1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 96038179 NUNVTOGJINULHC-UHFFFAOYSA-N 372.428 4.009 0 40 FIAB Cc1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)o1 96038246 ZXACDNUMLMKJSN-UHFFFAOYSA-N 373.460 4.072 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](CC)c1ccc(OC)cc1 113960786 WQYNQAGGRDUITI-MSOLQXFVSA-N 357.450 4.129 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 219513165 WYAXVXWDYPAPAY-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2)cc1Cl 222615840 CVUZRWADCJUZDN-UHFFFAOYSA-N 357.772 4.197 0 40 FIAB CC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccc2c(c1)CCCC2 223013839 KWDRWOOCVKLSNP-LJQANCHMSA-N 353.462 4.464 0 40 FIAB CCc1ccc([C@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1 223368342 GOQVQRFUPCAPCS-HNNXBMFYSA-N 373.518 4.176 0 40 FIAB Cc1ccc2oc(CCCC(=O)NCCOc3ccccc3Cl)nc2c1 224949386 VXQFCVKDGTZTHL-UHFFFAOYSA-N 372.852 4.308 0 40 FIAB C[C@H]1C[C@H](C)CN(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 224977687 CUOJYPZDGLTVDO-PMACEKPBSA-N 364.533 4.380 0 40 FIAB Cc1c(C(=O)NCc2ccnc(-c3ccsc3)c2)cnn1-c1ccccc1 225756421 QKAPVRYFYKWJJU-UHFFFAOYSA-N 374.469 4.234 0 40 FIAB COc1ccc(N(C)C(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 225916497 LOIWYLBVYDSURE-UHFFFAOYSA-N 362.433 4.122 0 40 FIAB CC(C)NC[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 226069650 XBTGYBNJJAPLRR-IBGZPJMESA-N 365.558 4.155 0 40 FIAB CSc1nc(N2c3ccccc3C[C@H]2C)c2cc(C(=O)O)sc2n1 226105689 PIWCHBHQGVTAGR-SECBINFHSA-N 357.460 4.194 0 40 FIAB COc1cccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)c1 257203203 APBBCFSAZHGXQT-JKYPXTOWSA-N 371.521 4.350 0 40 FIAB Cc1cc(-c2nccs2)nc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 257288202 PTHVFIMRKYADTO-ZDUSSCGKSA-N 360.483 4.023 0 40 FIAB S=C(NC[C@@H]1CCCO1)c1ccc(OCc2ccccc2Cl)cc1 408576702 QNTOCZCCLATXBJ-KRWDZBQOSA-N 361.894 4.363 0 40 FIAB Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cccc4cc[nH]c34)C2)s1 556828292 HJXGZCCKEJXCFA-MRXNPFEDSA-N 367.518 4.132 0 40 FIAB Cc1csc2ncnc(N3CCC[C@@H](c4ncc(C(F)(F)F)[nH]4)C3)c12 579210412 ACIXPHNRRNUYGD-SNVBAGLBSA-N 367.400 4.126 0 40 FIAB CC(C)c1ncsc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 644895933 KMQIOYMYQOTBPV-UHFFFAOYSA-N 368.506 4.238 0 40 FIAB CO[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCC2(CCC2)C1 1697111681 BHZSCURPGKZBHI-AWEZNQCLSA-N 360.889 4.014 0 40 FIAB Cc1ccccc1OCCC(=O)Nc1ccc(Br)cc1F 2646067 GEOYHKHTTNDYCH-UHFFFAOYSA-N 352.203 4.304 0 40 FIAB COC(=O)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)cc1 3207948 AGRFVJISQCBAKR-UHFFFAOYSA-N 358.441 4.499 0 40 FIAB O=S(=O)(Nc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 3358585 WDLRGGRBAUCLLR-UHFFFAOYSA-N 367.455 4.159 0 40 FIAB CC(=O)OCCSc1cccc2c(SCCOC(C)=O)cccc12 3663852 NSHNNJHLWAOWST-UHFFFAOYSA-N 364.488 4.150 0 40 FIAB CCCc1cc(=O)oc2cc(O[C@H](C(=O)OCC)c3ccccc3)ccc12 4747402 HTNLUGUQNJVLPS-NRFANRHFSA-N 366.413 4.429 0 40 FIAB CC[C@@H](C)c1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1 5253414 KJYHLWSYWCFFMC-CYBMUJFWSA-N 354.837 4.446 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)c(C)c1 5270053 PZUOIRFLBWNVDD-UHFFFAOYSA-N 360.457 4.383 0 40 FIAB Cc1cccc(C)c1NC(=S)N1CCc2cc3c(cc2C1)OCCCO3 5352372 QJZPEIFEQFVJIF-UHFFFAOYSA-N 368.502 4.220 0 40 FIAB CCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12 6043309 QHJMYSGGQGBLEC-UHFFFAOYSA-N 350.418 4.059 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 7644045 MSUIMFORYWAURE-UHFFFAOYSA-N 368.477 4.276 0 40 FIAB COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1 8208850 AFAYMOBRXBRSPX-UHFFFAOYSA-N 353.447 4.198 0 40 FIAB CCOc1c(Br)cc(CNCc2ccc(F)cc2)cc1OC 8253356 FMXZSYVZSIUQFO-UHFFFAOYSA-N 368.246 4.285 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N(CC)CC 8480308 XZNBKFLCHWPRGO-FQEVSTJZSA-N 368.477 4.273 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 8570319 UXMJYZLQSGYOEU-UHFFFAOYSA-N 366.461 4.352 0 40 FIAB Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N2CCC2)cc1C 8848025 WTMCMPMKOHNWFK-VAWYXSNFSA-N 371.484 4.461 0 40 FIAB CCOCc1cc(-c2csc(NC(=O)c3ccncc3)n2)ccc1OC 9114283 CUNNCMBGVRTPFE-UHFFFAOYSA-N 369.446 4.003 0 40 FIAB Cc1ccc(COc2cccc(C(=S)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 9188977 XQTAXIVUEFZKPA-IRXDYDNUSA-N 355.503 4.359 0 40 FIAB O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1 9196251 HHPLWLZMVNDMCW-UHFFFAOYSA-N 359.788 4.491 0 40 FIAB Cc1cc(CNC(=O)c2ccc(COCC(F)(F)F)cc2)ccc1F 10613232 DWFXTHDYOQFHKD-UHFFFAOYSA-N 355.331 4.143 0 40 FIAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1Cl 10946494 YIVCIANWPFYNJP-SECBINFHSA-N 367.783 4.016 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 11248283 GZKZZUCAZLDAIS-SFHVURJKSA-N 366.852 4.199 0 40 FIAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2c(s1)CCCC2 12255765 NTRMWMXQSCQQRE-UHFFFAOYSA-N 371.437 4.387 0 40 FIAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCC3)o2)cc1 12419048 NYVRPMLJJZWNJL-UHFFFAOYSA-N 368.458 4.083 0 40 FIAB CCCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccc2nccnc2c1 12420817 LKLFGKVLIGKCNC-NRFANRHFSA-N 374.444 4.116 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Cl)o2)cs1 12619285 IBZNCKNCTUBFAZ-UHFFFAOYSA-N 350.802 4.434 0 40 FIAB Cc1nc(N2CCC[C@H](C)C2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 12653607 HGPQFQNQSNSMIB-YPTLYQBQSA-N 361.489 4.480 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2nccn2C)o1 12735937 PCXLFGSMNGIGNP-NURCZXAPSA-N 361.445 4.056 0 40 FIAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cnc21 12860390 BPFRREKTSKLVGA-HNNXBMFYSA-N 362.477 4.382 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)c(OC)c1 12887289 ADHYSENOEVKRIS-FQEVSTJZSA-N 362.429 4.229 0 40 FIAB COc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1OC 12976667 TYXORZKCSHGIQH-UHFFFAOYSA-N 366.442 4.013 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 13689095 XMGPTDIEESMEEI-OAHLLOKOSA-N 363.413 4.423 0 40 FIAB Cc1ccc(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 13748581 YFYTVNLRAWVAPT-UHFFFAOYSA-N 353.491 4.430 0 40 FIAB C[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1 16086549 KEXSWOAHBPPDKH-JTQLQIEISA-N 374.687 4.142 0 40 FIAB COc1ccccc1C1(O)CCN(Cc2c(C)[nH]c3ccc(C)cc23)CC1 19220104 CKUKWNINRHFHPT-UHFFFAOYSA-N 364.489 4.277 0 40 FIAB Cc1nc(NCc2cccc(F)c2)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 19717876 CAXVLIDJSSZXPI-ZDUSSCGKSA-N 367.472 4.462 0 40 FIAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 20095918 DQQZFCVZFNAODS-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(=O)OC)c1 20460083 OOOARTPQSHWBTI-FQEVSTJZSA-N 363.413 4.423 0 40 FIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCC(C)CC1 20492941 KTSWWLDYQLGQTL-SFHVURJKSA-N 368.974 4.449 0 40 FIAB Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c2ccccc2n1 23738880 HBGYSUPVTIPIMN-JOCHJYFZSA-N 359.473 4.110 0 40 FIAB Cc1cccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)c1C 27993528 JDISXVKOJVNIOF-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3C)cs2)cc1 27993930 RSHNIZGZJWCOBJ-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB COc1ccc(OCc2ccc(C(=O)NCc3ccccc3Cl)o2)cc1 28238172 WIBIDKIYTGXCOW-UHFFFAOYSA-N 371.820 4.451 0 40 FIAB Cc1ccccc1Cn1ccc(NC(=O)CCc2ccc(Cl)cc2)n1 28242320 AKWSDOYHUSQMSO-UHFFFAOYSA-N 353.853 4.465 0 40 FIAB CN(CC(=O)Nc1cccc(Br)c1)[C@H]1CCc2ccccc21 29482515 PMMIGQRJUDUNCM-KRWDZBQOSA-N 359.267 4.007 0 40 FIAB CC1(C)CC(NC(=O)CCc2ccc(-c3ccccc3)o2)CC(C)(C)N1 29787416 SBWKVFREBHBXFE-UHFFFAOYSA-N 354.494 4.305 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)c1coc(Br)c1 30612978 HARIUSSQHMGUEZ-UHFFFAOYSA-N 356.245 4.194 0 40 FIAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(Cl)cc1)CC(O)=N2 32097442 DHIGGMPYHVXXKB-GFCCVEGCSA-N 374.231 4.401 0 40 FIAB C[C@@H](SC[C@@H]1CCCO1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 32778804 NYSXFWVBPPKYFJ-MNOVXSKESA-N 362.476 4.218 0 40 FIAB Cc1ccccc1-c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 32918497 UENNNEFJLPOFDX-UHFFFAOYSA-N 367.426 4.161 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN1C(=O)NC1CCCCC1 35289579 IOWFNODGBBNLDV-HXUWFJFHSA-N 365.477 4.285 0 40 FIAB Cc1ccc(C)c(-c2cc3c(SCC(=O)OC(C)C)nccn3n2)c1 38486620 RJRNXJNSKAQTFN-UHFFFAOYSA-N 355.463 4.057 0 40 FIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccccc1Cl 40108465 WALBPDFNDOPUKR-LLVKDONJSA-N 352.659 4.464 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)Nc1nc(-c2ccco2)cs1 40111404 NYMOPRFJTKVIAE-UHFFFAOYSA-N 357.416 4.301 0 40 FIAB COc1cccc(-n2cc(C(=O)O)c3c2[C@@H](c2cccs2)CC(O)=N3)c1 44894071 MCTBOSYDIUBOJA-CYBMUJFWSA-N 368.414 4.369 0 40 FIAB COCc1ccc(CNC(=O)Nc2nc(-c3ccccc3)cs2)cc1 46885661 LNKXHXSJRGYICF-UHFFFAOYSA-N 353.447 4.278 0 40 FIAB COc1ccc2c(-c3ccccc3)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)oc2c1 55215927 ODCSXSCICCGSFF-KSSFIOAISA-N 365.429 4.406 0 40 FIAB CN(C)[C@@H](CNc1ncnc2sccc12)c1c(F)cccc1Cl 57364291 GQJQPQHEMLASIL-ZDUSSCGKSA-N 350.850 4.199 0 40 FIAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 57475473 IUMQNVOSSVIGOD-HSZRJFAPSA-N 373.500 4.367 0 40 FIAB NC(=O)c1cccc(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 58377497 SFOQKAZSESABQG-UHFFFAOYSA-N 363.257 4.402 0 40 FIAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)=O)cn1 72215106 BDURIXRWWIAIFS-WMLDXEAASA-N 361.486 4.305 0 40 FIAB COc1ccc(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)cc1O 72308239 OLLRCQPPJBAYIN-UHFFFAOYSA-N 373.456 4.348 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72357799 CCCNFPDIJDMKFM-OAQYLSRUSA-N 361.420 4.184 0 40 FIAB O=C(Cc1cccnc1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1 72380326 HFWHGDKSOIOVTR-GOSISDBHSA-N 366.852 4.031 0 40 FIAB CCCNC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1 84756592 AWWPICDOOLIBLM-UHFFFAOYSA-N 354.450 4.082 0 40 FIAB O=C(C[C@H]1CCOc2ccccc21)Nc1cccc(CCN2CCCC2)c1 94122673 QUMGIKKLCXBLGW-LJQANCHMSA-N 364.489 4.220 0 40 FIAB CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 96052606 UANIAIKDOACKBB-SFHVURJKSA-N 366.505 4.215 0 40 FIAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Sc1ccccc1 96246899 VGOLJJOZZKPTKO-CYBMUJFWSA-N 373.503 4.327 0 40 FIAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3F)n2)c(F)c1 96296180 SONZEYLYYNTAQY-IBGZPJMESA-N 373.378 4.068 0 40 FIAB biogenic,in-vitro Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2Cl)C1=O 101275548 WIOOCDONQKODMA-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB Cc1c(C2=C[C@H](c3ccc(Cl)cc3)n3nnnc3N2)oc2ccccc12 102306977 YXXWKJVPZUPWCZ-MRXNPFEDSA-N 363.808 4.437 0 40 FIAB c1cncc(/N=c2/scc(-c3cccs3)n2CCCn2ccnc2)c1 106152567 SOIFNMAUHDZJCH-DYTRJAOYSA-N 367.503 4.192 0 40 FIAB CC(=O)N(c1nc(CN(Cc2ccc(C)s2)C(C)C)cs1)C1CC1 114715941 RMHMJPKRXLSQNR-UHFFFAOYSA-N 363.552 4.439 0 40 FIAB COc1ccc([C@@H]2CCCCN(C(=O)COCc3ccccc3)C2)cc1 206886292 AWXFSYAGDPIFSN-HXUWFJFHSA-N 353.462 4.008 0 40 FIAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C 223092274 QANXSSDXYKDYPK-VQTJNVASSA-N 368.550 4.342 0 40 FIAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1 224091413 TUSHBHJAYJPHKQ-UHFFFAOYSA-N 373.452 4.473 0 40 FIAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 224124245 FKIYIPAKRDBWFQ-UHFFFAOYSA-N 358.869 4.139 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCOc2ccccc2Cl)c1 224424409 UXFILVHVAVKLHS-INIZCTEOSA-N 361.869 4.228 0 40 FIAB Cc1ccc(OCCNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 225335266 WIAHCAHSTPEVOZ-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCSC(C)(C)C)cc1Cl 225352043 UEEVWPSZONKVDY-UHFFFAOYSA-N 374.959 4.335 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225362497 CTDKIKQVYFWILH-MRXNPFEDSA-N 353.462 4.235 0 40 FIAB CCOc1ccc(CNC(=S)Nc2cccc(Br)c2)cc1 225429436 ZBPVXYFIQVIWPX-UHFFFAOYSA-N 365.296 4.334 0 40 FIAB COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2F)cc1 225497552 LMDWFQIFSWPKIB-UHFFFAOYSA-N 367.873 4.080 0 40 FIAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225515185 XVTRGMWVGCSUNZ-MRXNPFEDSA-N 367.518 4.121 0 40 FIAB Cc1ccc(COc2c(Cl)cc(C(N)=O)cc2Br)cc1 226340360 OBGZLEPLSXHEMA-UHFFFAOYSA-N 354.631 4.089 0 40 FIAB O=C(N1CCCCC1)C(F)(F)Sc1ccccc1Br 256050864 GUNMFBICWVWGCQ-UHFFFAOYSA-N 350.228 4.147 0 40 FIAB Cc1nc(Nc2ncccc2C)cc([C@H]2CCCN2Cc2cnccc2C)n1 257265496 LYWKAOZIMWQBRC-HXUWFJFHSA-N 374.492 4.273 0 40 FIAB COC(=O)c1csc(NC(=O)c2cncc(-c3cccc(C)c3)c2)c1 533185206 XOKXPBYOQUICIP-UHFFFAOYSA-N 352.415 4.157 0 40 FIAB Cc1cccc(Cc2sc(NC(=O)Nc3cnn(CCF)c3)nc2C)c1 626553793 CDFAMMNICUXUNT-UHFFFAOYSA-N 373.457 4.161 0 40 FIAB Cc1csc([C@@H](C)C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)n1 629621300 LYGPZWULSWFSCA-JTQLQIEISA-N 365.861 4.188 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCN([C@@H]2CCSC2)CC1 1565522113 BJGHNKLHSPBYNO-CYBMUJFWSA-N 374.337 4.039 0 40 FIAB C[C@H](C(=O)N1CCC[C@@H](c2ccccc2)CC1)n1ccc(C(F)(F)F)n1 1584586175 SSNDGJJHWVQWPT-GDBMZVCRSA-N 365.399 4.259 0 40 FIAB O=C(Nc1ccccc1F)N1CCN(c2cccc(Cl)c2Cl)CC1 628491 NNYJZBLMFGBBIH-UHFFFAOYSA-N 368.239 4.487 0 40 FIAB COc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1 995247 ANFYJSMRTCJRAW-UHFFFAOYSA-N 351.512 4.351 0 40 FIAB Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1C 1378921 ZFUNSSFJDKYBGQ-UHFFFAOYSA-N 369.421 4.404 0 40 FIAB CCCCc1nc2sc3c(NCCOC)ncnc3c2c2c1CCC2 2356299 MLVMOJYENGEHQO-UHFFFAOYSA-N 356.495 4.129 0 40 FIAB Cc1ccccc1CSc1nnc(-c2cnccn2)n1-c1ccccc1 2438331 PAEFQHRPIBBELJ-UHFFFAOYSA-N 359.458 4.325 0 40 FIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3cccnc3Cl)nc1-2 2570558 AWJDHYRUSSITLC-UHFFFAOYSA-N 371.849 4.218 0 40 FIAB O=C1CCCN2N=C(SCc3ccc(Cl)c(Cl)c3)SC2=N1 2722831 POODTRHSMFAYQA-UHFFFAOYSA-N 360.291 4.223 0 40 FIAB CC(C)(C)OC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 3375999 SOQALUSDEFNDJX-UHFFFAOYSA-N 358.485 4.236 0 40 FIAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)NC(C)(C)C 3644687 YQTQBVDLQSLHEV-UHFFFAOYSA-N 370.493 4.299 0 40 FIAB Cc1ccc(C(=O)NCCSc2ncc(-c3ccc(F)cc3)[nH]2)cc1C 4315651 HODWIUSJUXMLMV-UHFFFAOYSA-N 369.465 4.355 0 40 FIAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)o1 4548455 OSSQWJBBMHAKKK-UHFFFAOYSA-N 358.394 4.379 0 40 FIAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cccc(Cl)c1Cl 4751522 XSSDIROEKWRCQE-UHFFFAOYSA-N 371.220 4.148 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 5099241 MCTDASSEHZBCRW-UHFFFAOYSA-N 362.351 4.257 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)o2)cc1 5210537 OKKZONDXKUROKV-AWEZNQCLSA-N 365.458 4.115 0 40 FIAB CCCCN(CCCC)C(=O)c1ccccc1I 5419458 CLFVGXCTQGJSJC-UHFFFAOYSA-N 359.251 4.334 0 40 FIAB CC(=O)c1ccc(OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 5654203 MMOABOWMSHGKPK-AWEZNQCLSA-N 355.459 4.186 0 40 FIAB CC(=O)Nc1ccc(C2=NN=C(Nc3ccc(C)cc3C)SC2)cc1 5688990 NEGQYPYIOPRABM-UHFFFAOYSA-N 352.463 4.181 0 40 FIAB CCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 5898410 NARVUTQKDIGTHG-UHFFFAOYSA-N 373.412 4.252 0 40 FIAB biogenic COc1ccc(NC(C)=O)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 6262389 AMYZCIBXLMFXOP-UHFFFAOYSA-N 367.327 4.316 0 40 FIAB CCCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(C(=O)OC)=C1C 6647006 MKIYHCWJYQVWRD-RAXLEYEMSA-N 368.260 4.466 0 40 FIAB CCc1cccc(NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)c1 6809129 IKOBSJTXXHLBGD-UHFFFAOYSA-N 350.466 4.027 0 40 FIAB CCNc1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1 6891571 QLRNUOWHLHGJMI-UHFFFAOYSA-N 362.838 4.260 0 40 FIAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 7109069 AKCZKFPZRUWXNR-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N[C@H]1CCCc2ccccc21 7212302 GFKZLLXRKJNZNU-IJDCCNJMSA-N 355.821 4.276 0 40 FIAB CC(C)CNc1nnc(SCC(=O)Nc2ccccc2C(C)C)s1 7249585 GQJSDKCXLQNJON-UHFFFAOYSA-N 364.540 4.460 0 40 FIAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(Cl)cc1Cl 7601805 PYHAKXUWZQKERS-UHFFFAOYSA-N 352.250 4.053 0 40 FIAB C[C@H]1CCCCN1C(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989853 DOYRQQKXEWTAMU-KRWDZBQOSA-N 362.477 4.049 0 40 FIAB O=S(=O)(Nc1ncnc2sc(-c3ccccc3)cc12)c1cccs1 8132333 VCHBWXMPKKRCPP-UHFFFAOYSA-N 373.484 4.221 0 40 FIAB Cc1nc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2n1-c1ccccc1 8135758 OPXFHQFJDMQRPI-UHFFFAOYSA-N 371.396 4.315 0 40 FIAB Cc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)ccc3n2)cc1 8471936 JNEKXUFQNWHCEW-GOSISDBHSA-N 360.457 4.427 0 40 FIAB COc1ccc(-c2noc(-c3ccccc3NC(=O)C(C)C)n2)cc1OC 8559173 NUWLTWDCXTYNEZ-UHFFFAOYSA-N 367.405 4.015 0 40 FIAB O=C(NOCc1ccccc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10319586 LPYQLMYOQYQROC-NRFANRHFSA-N 373.408 4.002 0 40 FIAB Cc1ccccc1-n1nc(C)c(CN(C)Cc2n[nH]c3c2CCCC3)c1C 12147146 GEGPHAQJZNNLCU-UHFFFAOYSA-N 363.509 4.031 0 40 FIAB O=C(NC1CC1)[C@@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 12479532 KEPAOIKETKIMFH-HNNXBMFYSA-N 370.371 4.352 0 40 FIAB CSc1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1Cl 12917944 UAHXMWUANYFJGJ-UHFFFAOYSA-N 352.862 4.272 0 40 FIAB O=C(CCc1cccs1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14022175 VNCSEXZNUNJMMT-UHFFFAOYSA-N 366.490 4.304 0 40 FIAB O=c1ccc(Br)cn1Cc1ccccc1Oc1ccccc1 14124144 LBGXMQWLOTURPF-UHFFFAOYSA-N 356.219 4.451 0 40 FIAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 14795983 KAGXILKTSKDGBE-UHFFFAOYSA-N 368.477 4.003 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)CCN1C(=O)CSc2ccccc21 17337822 LCMIAGRKHNNCFO-UHFFFAOYSA-N 368.502 4.452 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)n1 19573123 FRTOLFWLSZQALR-OAHLLOKOSA-N 353.470 4.100 0 40 FIAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccn3)c2)cc1 19691323 AVTLIELDSYUNRE-QFIPXVFZSA-N 373.456 4.438 0 40 FIAB COc1ccccc1C[C@@H](C)NC(=O)CC1CCN(C2CCCCC2)CC1 19748218 BQJLFZMDRHOTEX-GOSISDBHSA-N 372.553 4.177 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(C)c(Cl)c1 20139334 CXRWILSSZAJZDG-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB CCCc1c(C(=O)OCC)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797885 KIEAMRJEDBWBEG-UHFFFAOYSA-N 352.438 4.044 0 40 FIAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2CCN2CCCCCC2)cc1C 21148726 NZLHDQQLDRFMLW-OAQYLSRUSA-N 372.553 4.329 0 40 FIAB CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)c1ccccc1 22619164 NIJJTCJVWBEVMY-FGZHOGPDSA-N 366.505 4.142 0 40 FIAB O=C(Nc1cccnc1-n1cccn1)C(c1ccccc1)c1ccccc1 23170650 IBJGRHWXCVYPFH-UHFFFAOYSA-N 354.413 4.038 0 40 FIAB Cc1csc(SCC(=O)Nc2ccccc2OCC(F)(F)F)n1 25059501 NSIVRDXUIBILTI-UHFFFAOYSA-N 362.398 4.123 0 40 FIAB COc1ccc2nc(C)c(C(=O)N(Cc3ccccc3F)C3CC3)cc2c1 25811296 PBUROMNKMQVONT-UHFFFAOYSA-N 364.420 4.496 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CN1CCO[C@@H](c2ccccc2)C1 29535542 YIDJDLLIAAIPRT-HXUWFJFHSA-N 367.880 4.408 0 40 FIAB C[C@@H]1CCc2sc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2C1 32667756 ZEPLJOOLBNAOAD-NVXWUHKLSA-N 372.534 4.423 0 40 FIAB Cc1c(C(=O)N[C@H](C)c2ccc(F)c(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 32674754 RTWJDRFQWMHHHL-LLVKDONJSA-N 360.404 4.247 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(O)c2sccc2n1 34889418 QXWVMJPYAXZMCO-UHFFFAOYSA-N 353.369 4.048 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 35289611 YJBBMRQOSOLNCM-KRWDZBQOSA-N 357.841 4.283 0 40 FIAB COC(=O)c1cccc(NC(=O)c2cc3occc3n2Cc2ccccc2)c1 36354610 BUAGLFASRDUQNM-UHFFFAOYSA-N 374.396 4.322 0 40 FIAB Cc1sc2nc(S[C@@H](C)c3nc(C(C)(C)C)no3)nc(N)c2c1C 40068666 YIGVRGWDSPQVSG-VIFPVBQESA-N 363.512 4.424 0 40 FIAB CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccccn3)C2)cc1 40151355 SSIKAIJUPWFJJA-YLJYHZDGSA-N 351.494 4.299 0 40 FIAB CC[C@@H](NC(=O)NC1CCN(CC(C)C)CC1)c1ccc(Cl)cc1 45404689 IABBSCNFKQSVJB-GOSISDBHSA-N 351.922 4.211 0 40 FIAB Cc1ccc2c(c1)c1c(n2CCC(=O)Nc2ccc(F)cc2)CCN(C)C1 49548732 SZAQINSBFTVSPT-UHFFFAOYSA-N 365.452 4.106 0 40 FIAB CCn1c(CNCc2cccc(NC(=O)C3CCC3)c2)nc2ccccc21 54173592 RWLGSSNOCJKANK-UHFFFAOYSA-N 362.477 4.085 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 57216647 GETOWCHXRHAEDS-UHFFFAOYSA-N 357.425 4.300 0 40 FIAB CC(C)Cc1nnc(NC(=O)c2ccnc(Oc3ccccc3)c2)s1 58158565 SPPYJLPBGLAPHH-UHFFFAOYSA-N 354.435 4.176 0 40 FIAB Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2csc(C(C)C)n2)o1 58418977 FZCUFCKFCSMBFY-KRWDZBQOSA-N 354.479 4.258 0 40 FIAB COc1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 67258731 SZPBKKVVMKZJFF-UHFFFAOYSA-N 354.475 4.353 0 40 FIAB CCOC(=O)c1sc(NC(=O)NCc2ccc(Cl)cc2)cc1C 69380943 MGFLYEQFFMIRNS-UHFFFAOYSA-N 352.843 4.208 0 40 FIAB CC(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc2nccnc12 72314718 GILPOQANYWISMD-MRXNPFEDSA-N 350.447 4.025 0 40 FIAB OCc1ccc(-c2cncc([C@H]3CCCN(CCc4ccccc4)C3)n2)cc1 72359361 MNTVWYGJVLCLNI-QFIPXVFZSA-N 373.500 4.058 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2c1ccc2ncccc2c1 79502180 HAIDJXUGJKCYLK-INIZCTEOSA-N 354.435 4.142 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]c2=O)c1C 89686388 CSDJRVZQNKLKEX-UHFFFAOYSA-N 369.424 4.459 0 40 FIAB O=C(C[C@H](O)c1cccc(F)c1)Nc1ccc(COC2CCCC2)cc1 89774720 NUASOTQDRWASPG-FQEVSTJZSA-N 357.425 4.347 0 40 FIAB C[C@H](Oc1cccc(/C=C(\Cl)c2nc3c(F)cccc3[nH]2)c1)C(=O)O 98055766 NYDKITJXJNYVNU-AVMBBCFPSA-N 360.772 4.291 0 40 FIAB O=C(CCc1ccc(Cl)c(F)c1)NC[C@H]1CCCN1c1ccccc1 207989816 IECQDTYXZBOJHP-QGZVFWFLSA-N 360.860 4.197 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 222869845 BVIWCAYWRJRJTI-OALUTQOASA-N 356.539 4.463 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)NCCCc1ccccc1Cl 223198504 SWSCVHUDDLHWMP-UHFFFAOYSA-N 357.881 4.347 0 40 FIAB Cc1cc(C)cc(CSCC(=O)NCCOc2ccccc2Cl)c1 223400746 YBGGJWLPSCMLLH-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Oc1cccnc1NC(=S)NCC1(c2ccc(F)cc2)CCCCC1 224007321 WJZPZVUGUJXVHW-UHFFFAOYSA-N 359.470 4.115 0 40 FIAB S=C(Nc1ccc(N2Cc3ccccc3C2)nc1)NC1CCCCC1 224039027 MBGDVYGDGDQNEW-UHFFFAOYSA-N 352.507 4.221 0 40 FIAB CCC(C)(C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225152060 YEMFRDOACVBUPU-LGMDPLHJSA-N 356.491 4.132 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](C)COc2ccccc2)c1 225325573 LJDGNOAHBPIXDK-ROUUACIJSA-N 355.478 4.469 0 40 FIAB Cc1cc(NC(=S)NCc2ccccc2Cl)ccc1N1CCCC1=O 225372610 SLLRNGSXAPSHGZ-UHFFFAOYSA-N 373.909 4.262 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1F 225391841 ARMVNNUGWVOPLK-UHFFFAOYSA-N 370.424 4.103 0 40 FIAB CC[C@H](NC(=S)Nc1ccc(OC)cc1OC)c1ccc(OC)cc1 225487055 ZPXAMBWKFKAQDY-INIZCTEOSA-N 360.479 4.150 0 40 FIAB CCOc1ccccc1NC(=S)NCc1ccc(OC(C)C)c(OC)c1 225530505 UYURNWMQYLDXIQ-UHFFFAOYSA-N 374.506 4.368 0 40 FIAB COc1cccnc1NC(=S)NCC1(c2ccc(F)cc2)CCCC1 225811153 GNJVLYIFKADNET-UHFFFAOYSA-N 359.470 4.028 0 40 FIAB CCC[C@@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 225832966 ULIIVXBJQMSHST-QLENYVDCSA-N 356.491 4.132 0 40 FIAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 409084276 CJCKOWMMGXBPKF-JASJWYONSA-N 370.430 4.010 0 40 FIAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Nc2ccc3nc(C)nn3c2)o1 572049283 OKCJUHPXMWSWQT-SUMWQHHRSA-N 367.453 4.198 0 40 FIAB CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)c(C)cc1OC 1260786191 QDJIXXJLCHIXEW-UHFFFAOYSA-N 353.871 4.329 0 40 FIAB CNC(=O)c1ccc(C)c(NCc2ccc(-n3cnc4ccccc43)cc2)c1 1661820429 PKUIEJOIKOILIZ-UHFFFAOYSA-N 370.456 4.306 0 40 FIAB Cc1ccc(OC[C@@]2(O)CCCN(C(=O)c3ccccc3Cl)C2)cc1C 2037913203 YWIJIRZHDBVWHV-OAQYLSRUSA-N 373.880 4.003 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 647095 ZOZDOLSKFFVVKR-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccccc3)c2C(N)=O)C1 672843 ZUXWODGPAFDQDS-STRFDMGBSA-N 354.475 4.014 0 40 FIAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 869054 XFOZBELQKKGBIE-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Cc1cc(Cl)ccc1OC(=O)COc1ccc2c(C)cc(=O)oc2c1 946440 WSSCUVMNZZHJJK-UHFFFAOYSA-N 358.777 4.048 0 40 FIAB biogenic Cc1cccc2cc(/C=C3\N=C(S)N=C3O)c(N3CCCCC3)nc12 1268313 HBIPMQHSYGODKA-PTNGSMBKSA-N 352.463 4.130 0 40 FIAB COc1ccccc1CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1 1384054 YUSDPLXQIACPQU-UHFFFAOYSA-N 372.877 4.326 0 40 FIAB Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)C(F)(F)F)c2)c(C)c1 1609902 VBWTZCVEBQTUJR-UHFFFAOYSA-N 350.340 4.365 0 40 FIAB CC1(C)C[C@@H](C(=O)NCC[C@H](Cc2ccccc2)c2ccco2)CCO1 2094153 DPJASJFVYICKJL-MOPGFXCFSA-N 355.478 4.317 0 40 FIAB biogenic CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC[C@@H]4CCCO4)nc3C2)cc1 2110800 XFUSOAFMRKRHNP-ROUUACIJSA-N 365.477 4.104 0 40 FIAB biogenic CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2405452 QPDZBFDGWQZWFU-AWEZNQCLSA-N 374.444 4.420 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(SC)cc1OC 2627476 VCCVOWSFHKZEMJ-UHFFFAOYSA-N 374.458 4.375 0 40 FIAB C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1-c1ccccc1 2628179 YXLGTTWULGOLSM-MRXNPFEDSA-N 374.440 4.199 0 40 FIAB CCCCN(CCCC)C(=O)c1cccc(I)c1 2750115 JYKNBTDDHICJPX-UHFFFAOYSA-N 359.251 4.334 0 40 FIAB O=c1c2ccccc2nc(SCc2ccccc2F)n1C[C@@H]1CCCO1 3052078 CKIZTQWXZMFUMT-HNNXBMFYSA-N 370.449 4.007 0 40 FIAB Cc1cccc(Cl)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 3072851 VHJFRPBEDIRVRV-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB O=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)N1CCOCC1 3125749 WBXSNSWIDLTXBD-UHFFFAOYSA-N 373.924 4.283 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccs2)o1 3475020 XLYIMEAISWKPRR-UHFFFAOYSA-N 365.867 4.491 0 40 FIAB CCN(C(=O)CSc1nnc(-c2ccccc2)n1CC)c1ccccc1 3501555 MHKTXDFODBRNEL-UHFFFAOYSA-N 366.490 4.110 0 40 FIAB O=C(CSCc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1 4033038 IWJYXWUGYZBGEY-UHFFFAOYSA-N 374.469 4.268 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)C[C@@H](OC(C)=O)C[C@H]12 4946312 QLFBIUISXGEBLE-NBYDKTAJSA-N 356.462 4.400 0 40 FIAB CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1 5156892 AKKCOJZURSFTIW-UHFFFAOYSA-N 354.406 4.174 0 40 FIAB O=C([C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 5184818 XWMUZXVYESTULH-SFHVURJKSA-N 351.475 4.409 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1 5244380 DJQSOEKHSYEQNY-UHFFFAOYSA-N 364.401 4.062 0 40 FIAB COc1ccc(C2=NO[C@H](COc3ccc(Cl)c4cccnc34)C2)cc1 5443623 INZVFHJTLOSLFC-HNNXBMFYSA-N 368.820 4.469 0 40 FIAB aggregator COc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1cccs1)=N2 5485306 CRIRMRUOYTZFRS-UHFFFAOYSA-N 351.406 4.330 0 40 FIAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N[C@@H]1CCCc2ccccc21 5628411 JTVFFTHXOBMOKX-XJKSGUPXSA-N 351.475 4.237 0 40 FIAB FC(F)(F)c1cnc(Oc2ccc(N3CCOCC3)cc2)c(Cl)c1 5740823 RBXQARZWLDXCMB-UHFFFAOYSA-N 358.747 4.383 0 40 FIAB CCOc1ccccc1N1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 5928582 WECYUPPTCABRBB-VAWYXSNFSA-N 370.880 4.101 0 40 FIAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccccc1Cl 5980765 REHHTEPRIUMVLS-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB COC(=O)c1cc(NC(=O)[C@H](C)SCc2ccccc2)ccc1Cl 6454413 GTKOCXXUUDNEJD-LBPRGKRZSA-N 363.866 4.387 0 40 FIAB O=C(COc1ccccc1)Nc1nc2c(s1)CSc1ccccc1-2 6495990 SURHQNRXEVVWRD-UHFFFAOYSA-N 354.456 4.433 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCCC1 6614626 MIXNJYFHXKZBDS-UHFFFAOYSA-N 353.491 4.112 0 40 FIAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 6953521 ZNRBEMCDNOOABJ-UHFFFAOYSA-N 362.429 4.325 0 40 FIAB Clc1ccccc1OCCSc1nnc2c(n1)[nH]c1ccccc12 7798180 BSCHEPIQXSMYSU-UHFFFAOYSA-N 356.838 4.331 0 40 FIAB Cc1ccc2c(CC(=O)NCCn3c(C)nc4ccccc43)coc2c1C 8173488 PHIFNTXNSIRNGY-UHFFFAOYSA-N 361.445 4.067 0 40 FIAB Cc1nc(COc2ccc(C(=O)NCc3ccccc3F)cc2)cs1 8246613 NAUDYWVMTRKLFS-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 8707450 BLPDGIHEAGEJHP-AWEZNQCLSA-N 372.419 4.371 0 40 FIAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1cccc2ccccc12 8862609 VQYPMFWODCRCTO-FQEVSTJZSA-N 350.487 4.468 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nnc(CSc2ccccc2)s1 9227180 PLISVQBAIHKHFC-UHFFFAOYSA-N 359.451 4.151 0 40 FIAB O=C(Cc1cccc(F)c1)Nc1ccc2nc(N3CCCC3)sc2c1 10577018 AOMFORKNIKNLPL-UHFFFAOYSA-N 355.438 4.217 0 40 FIAB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 10794646 AEYHYHFPAGKPJU-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB COc1ccc(C(=O)Oc2ccc(/C=C/c3ccncc3)cc2OC)cc1 11858517 BBPIPTUQSHZECK-ONEGZZNKSA-N 361.397 4.488 0 40 FIAB COc1ccccc1C1(NC(=O)CCn2cnc3ccccc32)CCCC1 12117312 ATWPIZKPQLDOEH-UHFFFAOYSA-N 363.461 4.021 0 40 FIAB CCN(CCCNCc1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 12541033 LAIMPNCXZKKOAK-UHFFFAOYSA-N 352.457 4.222 0 40 FIAB Cc1nc(=S)[nH]c(C)c1CCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 12601952 OMWDTORIQXKBLV-LFPRZYRFSA-N 373.566 4.410 0 40 FIAB O=C(Nc1cccc2c1CCCC2)c1ccc(OC[C@H]2CCCO2)cc1 12757313 FALBGTXKRNVAOG-LJQANCHMSA-N 351.446 4.376 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(F)cc1Cl)c1ccccc1Cl 12787520 FTNIYMHUNOUKSO-MRXNPFEDSA-N 355.240 4.165 0 40 FIAB CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1 12862791 SKNYEXVVELFEDF-UHFFFAOYSA-N 374.419 4.035 0 40 FIAB COc1cc(-c2n[nH]c(=S)n2[C@H](C)c2ccccc2)cc(OC)c1OC 13151252 IWGXJYYWUBCNBP-GFCCVEGCSA-N 371.462 4.243 0 40 FIAB CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@H]1c1ccc(F)cc1 14608080 UCYUKFFSGTYGIC-GOSISDBHSA-N 352.413 4.455 0 40 FIAB CCSc1nc(-c2ccccc2)nc(C)c1C(=O)NCc1ccco1 20100190 MQCQLEBIICAZFT-UHFFFAOYSA-N 353.447 4.087 0 40 FIAB Cc1cc(Cl)ccc1Nc1nc(N2CCC(C)CC2)nc2c1cnn2C 21873485 REASDZIXGCBLDV-UHFFFAOYSA-N 370.888 4.305 0 40 FIAB Cc1ccc2nc(NC(=O)COc3ccc(F)cc3Cl)sc2c1 22396890 AXXLYVXOOCRXAH-UHFFFAOYSA-N 350.802 4.415 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCSCc2ccccc2)cc1OC 22524441 RQWFHGVGHUXNJU-OAHLLOKOSA-N 359.491 4.205 0 40 FIAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)c2ccccc2Cl)c1 23871166 WZASZXGBUYZGPI-LLVKDONJSA-N 374.824 4.175 0 40 FIAB Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)nc2)c1 24445964 VQHYDZGUZGRONF-UHFFFAOYSA-N 372.877 4.439 0 40 FIAB O=C1C[C@H](C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c2ccccc2N1 24472889 IJCLHLMHEHTKBR-HNNXBMFYSA-N 374.362 4.111 0 40 FIAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccnn1Cc1ccccc1Cl 24653336 XRHXEQGNVJEJBB-UHFFFAOYSA-N 365.864 4.255 0 40 FIAB O=C(c1cccc(Nc2ncccn2)c1)N(Cc1cccs1)C1CC1 25086242 RKMNPBWEHHJVPN-UHFFFAOYSA-N 350.447 4.087 0 40 FIAB Cc1cnc2c(S(=O)(=O)N3CCC[C@H]3c3cccs3)cccc2c1 26112452 GBKMCUCAMCQECF-HNNXBMFYSA-N 358.488 4.131 0 40 FIAB CCn1nc(C)c(CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 28235737 CLJCLHSLFRNBFP-UHFFFAOYSA-N 354.376 4.203 0 40 FIAB CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCCc2ccccc21 29257068 PFOOLYLJRVGDAV-UNMCSNQZSA-N 365.473 4.394 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2OC)cc1F 32719731 QMCSZFQPDIDSHU-UHFFFAOYSA-N 353.393 4.268 0 40 FIAB Cc1cc(NC(=O)c2ccccc2Oc2ccccc2)ccc1-n1cnnn1 32769640 CALCCDWWLWPGPM-UHFFFAOYSA-N 371.400 4.015 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1ccco1 32797257 ZRDXYMGNEHIEOT-SNVBAGLBSA-N 360.763 4.411 0 40 FIAB CN1CCCC[C@@H]1CCSc1nnc(NCCc2cccs2)s1 32854538 OIHYORSZUVHICN-CYBMUJFWSA-N 368.597 4.221 0 40 FIAB COC(=O)c1ccc(F)c(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 32903233 MLTZJSTYZKHSKR-UHFFFAOYSA-N 364.376 4.290 0 40 FIAB O=C(CCc1ccccc1)NCc1cccc(C(=O)Nc2ccccc2)c1 32930248 SKNACXLFNDWURA-UHFFFAOYSA-N 358.441 4.188 0 40 FIAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CSc1ccc(F)cc1 32930675 NCNKCUMKQWSDFH-UHFFFAOYSA-N 358.438 4.213 0 40 FIAB O=C(NCc1nc2ccccc2[nH]1)c1csc(-c2cc3ccccc3[nH]2)n1 36708170 PWNLMXOWXRRFRD-UHFFFAOYSA-N 373.441 4.098 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 40092859 QLNSXGQZAWOVLZ-UHFFFAOYSA-N 351.189 4.202 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCCc2nc3ccccc3s2)C1 40118856 UOMLMFBWHHTDPJ-IAGOWNOFSA-N 373.566 4.103 0 40 FIAB O=C(Nc1nnc(C2CC2)s1)[C@@H](Oc1ccccc1)c1ccccc1 40128841 VLYZBOFTMZCSGY-INIZCTEOSA-N 351.431 4.174 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)cc2)c(OC)c1 40267400 FQQZUVLKJSFXBJ-OAHLLOKOSA-N 367.380 4.152 0 40 FIAB COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838068 JHRZCJAOWMDFBW-UHFFFAOYSA-N 371.396 4.269 0 40 FIAB Cc1nc2cc(F)cc(C(=O)Nc3cccc(-c4ccn[nH]4)c3)c2nc1C 52565938 QJYLYICFBPWACU-UHFFFAOYSA-N 361.380 4.028 0 40 FIAB O=[S@](CCSc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1 54465375 PODZJRPFMNNFLT-DEOSSOPVSA-N 370.421 4.482 0 40 FIAB CCc1ccc(CNC(=O)Nc2sc(C)c(C)c2C(=O)OC)s1 58218332 MXOZOVRBFXFZNV-UHFFFAOYSA-N 352.481 4.097 0 40 FIAB C[C@@H](CNC(=O)CCCOc1cccc(Cl)c1Cl)CN1CCCC1 58227199 CSTZEVYKYOUBIF-AWEZNQCLSA-N 373.324 4.001 0 40 FIAB O=C(NCc1cccc(N2CCCCC2=O)c1)Nc1ccc(Cl)cc1 58371054 ULXGSEDKDKAJRR-UHFFFAOYSA-N 357.841 4.179 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(-n3cccc3)cc2)cc1OC 61718472 ZHTFEKGMJBLNOP-UHFFFAOYSA-N 350.418 4.066 0 40 FIAB Fc1cc(CNCc2cccc3c2OCO3)ccc1Oc1cccnc1 63549203 RACNWJPJWGMXKF-UHFFFAOYSA-N 352.365 4.032 0 40 FIAB O=C(CSc1nc2ccccc2o1)Nc1cccc(-c2cnco2)c1 65158436 OPGSDCZMNACJCX-UHFFFAOYSA-N 351.387 4.214 0 40 FIAB Fc1ccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)cc1 67262667 OJLBVHWXBKLSDZ-UHFFFAOYSA-N 361.424 4.464 0 40 FIAB C[C@H](Sc1ccc(O)cc1)C(=O)N(C)Cc1nc2ccccc2s1 69270764 OUBSCSTWWJPIFD-LBPRGKRZSA-N 358.488 4.141 0 40 FIAB O=C(c1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358460 VNFZWILSCFBLDP-GOSISDBHSA-N 361.420 4.303 0 40 FIAB Cn1cc(/C=C2\SC(=O)N=C2Nc2cccc(OC(F)(F)F)c2)cn1 72400827 YHXUKZHHMVUHAQ-XGICHPGQSA-N 368.340 4.037 0 40 FIAB O=C(OCc1nc2ccc(F)cc2o1)c1csc(-c2ccccc2)n1 79098363 JOUVKZDYPRCRAX-UHFFFAOYSA-N 354.362 4.447 0 40 FIAB Cc1cccc(C2(C(=O)N[C@H](C)[C@H](O)c3cccc(F)c3)CCCC2)c1 89669196 BBNGQKFLOSEOHM-UZLBHIALSA-N 355.453 4.184 0 40 FIAB CC(C)c1nc2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2s1 89893729 LORCKMOQSYOFOD-ZDUSSCGKSA-N 371.506 4.149 0 40 FIAB CCOC(=O)n1nc(C)c2c1N=C(O)CS[C@@H]2c1ccc(Cl)cc1 95472946 BQTYACDJSYIAES-CQSZACIVSA-N 365.842 4.274 0 40 FIAB COc1cc2c(cc1OC)[C@@H](C13C[C@@H]4C[C@H](CC(Cl)(C4)C1)C3)NCC2 100676336 HSDXWRHEZLIHTH-FSZSWNHFSA-N 361.913 4.468 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CN1CC=C(c3ccccc3)CC1)C2 101581585 LYDVZYOLLPHERZ-MZKRTTBSSA-N 352.522 4.107 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104092218 WNGRBYIXSNVYFL-RFGFWPKPSA-N 365.857 4.045 0 40 FIAB Cc1ccc(C(=O)NCC2(c3ccccc3C)CCOCC2)c(Cl)c1 191217831 YLRDFTFHUVCPLD-UHFFFAOYSA-N 357.881 4.435 0 40 FIAB COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)cc1C 222960641 DMWVVJFNULAVGS-GFCCVEGCSA-N 360.251 4.358 0 40 FIAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1C(C)C 223740178 KIMGHTKUSYSXCU-UHFFFAOYSA-N 361.507 4.421 0 40 FIAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC(C)C)o2)c(OC)c1 224929440 UTFLQYFGUWOGQU-UHFFFAOYSA-N 366.417 4.164 0 40 FIAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 225317460 XOEJQIBXOGMNDP-IBGZPJMESA-N 369.461 4.055 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCc2ccccc2F)ccc1Cl 225835977 IQEGMKGGHPGLCJ-UHFFFAOYSA-N 366.845 4.142 0 40 FIAB CCN1CCN(Cc2ccc3oc(-c4ccccc4Cl)nc3c2)CC1 226318639 HMFDIOHVADDBIJ-UHFFFAOYSA-N 355.869 4.286 0 40 FIAB Clc1cccc(Cc2cnc([C@@H]3CCCN(c4ncccn4)C3)o2)c1 257213499 CHUZFZVMCRFNPO-OAHLLOKOSA-N 354.841 4.093 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)C1 260848809 QOJUVIMOTMPAFJ-RBUKOAKNSA-N 350.506 4.452 0 40 FIAB CCn1c2c(s/c1=N\C(=O)c1ccc(OC)cc1)CCc1ccccc1-2 408563002 SUEYREYJXAPLPM-DQRAZIAOSA-N 364.470 4.085 0 40 FIAB S=C(NC[C@H]1CCCO1)c1ccc(OCc2ccc(Cl)cc2)cc1 408575260 NMVOZUJUQILVDZ-GOSISDBHSA-N 361.894 4.363 0 40 FIAB Cc1cccc(N2C[C@@H](c3nc(-c4ccc5c(c4)CCC5)no3)CC2=O)c1C 558521374 NGQKJCLPDWKUST-IBGZPJMESA-N 373.456 4.363 0 40 FIAB COc1ccc(COc2cccc(F)c2)cc1NC(=O)N1CC[C@@H]2C[C@@H]2C1 665892891 JQDIXUIEHVZGFE-HZPDHXFCSA-N 370.424 4.287 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2ccco2)s1 1888970059 OJWHVCKTAXTWFY-AWEZNQCLSA-N 361.850 4.054 0 40 FIAB CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)no1 904090 ZHVDKHNDRXSXIJ-UHFFFAOYSA-N 353.374 4.106 0 40 FIAB CCOC(=O)COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1 976781 BBRKRMFWHCSLGM-UHFFFAOYSA-N 351.402 4.083 0 40 FIAB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)Cc1ccccc1 1090463 KNILHGLSGHTVMP-UHFFFAOYSA-N 369.486 4.005 0 40 FIAB S=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2)N2CCCN12 1259001 NQHIUZMHBFTPFS-MRXNPFEDSA-N 374.307 4.176 0 40 FIAB Cc1nc2sc3c(c2c2nnc(SCc4ccccn4)n12)CCCC3 1372320 KQHSRCGLLLDPGC-UHFFFAOYSA-N 367.503 4.214 0 40 FIAB Cc1ccc(-c2csc3ncnc(SCC(=O)N4CCCC4)c23)cc1 1915533 ROSMVOCXCADTIH-UHFFFAOYSA-N 369.515 4.381 0 40 FIAB Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 1932249 DXUSTCOZIXLYDS-GFCCVEGCSA-N 374.531 4.011 0 40 FIAB CCCc1nc2oc3c(N(CC)CC)ncnc3c2c2c1COC(C)(C)C2 2229446 KAZVLJZZDBMTFJ-UHFFFAOYSA-N 368.481 4.421 0 40 FIAB CCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O 2239486 FUJCEVNXRLIRQB-UHFFFAOYSA-N 354.377 4.373 0 40 FIAB biogenic O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Br)c(F)c1 2514905 UCSONMXCMGWKGL-UHFFFAOYSA-N 360.226 4.191 0 40 FIAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](SCCO)c1ccccc1 3250931 DEYBSHNAFKGIAD-OAHLLOKOSA-N 355.381 4.111 0 40 FIAB CC(=O)c1cccc2c(=O)c(-c3ncc(C(F)(F)F)cc3Cl)c[nH]c12 4003105 QSKRARMYQYARRD-UHFFFAOYSA-N 366.726 4.465 0 40 FIAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(OC)c1 4034019 BXUSNXZLKJNHDU-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 4275932 YACNOQUKGBJCKC-UHFFFAOYSA-N 357.797 4.430 0 40 FIAB CC(C)(C)c1ccc(CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1 4288574 FYAVWAMYQSRRMH-HSZRJFAPSA-N 364.489 4.427 0 40 FIAB CCOC(=O)N1CCN(CCCCCCOc2ccc(Cl)cc2)CC1 4428367 ZSARFQZWVAWCIR-UHFFFAOYSA-N 368.905 4.053 0 40 FIAB COc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 4504161 OLTHKBQUYQYOHV-SFHVURJKSA-N 361.869 4.196 0 40 FIAB COc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(C)=O)c(Cl)nc2c1 4981443 FQEKHGYRFCHRTB-QGZVFWFLSA-N 369.808 4.187 0 40 FIAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N1CCc2ccccc21 5175101 LEJMQTVFEQNKCP-HNNXBMFYSA-N 363.486 4.157 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)CSc2nc3ccccc3[nH]2)c1 5206043 XCUZLOJHNLFNKB-UHFFFAOYSA-N 371.462 4.091 0 40 FIAB Cc1ccc(Cn2c(CNC(=O)Cc3ccccc3)nc3ccccc32)cc1 5210436 HKHQFXKISWCTET-UHFFFAOYSA-N 369.468 4.252 0 40 FIAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)C(=O)CCC3 5305762 RQVKPYOGSVGSSP-UHFFFAOYSA-N 371.849 4.303 0 40 FIAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCCCC1 5346030 ZFHXTVNOKNSLJB-IBGZPJMESA-N 372.509 4.187 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Cl)c1 5359780 APHPSFWRLUNZOG-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 6029744 OHOZSYSEGRUTPQ-UHFFFAOYSA-N 374.396 4.198 0 40 FIAB CC(C)N1C(=O)/C(=N/Nc2ccc(Br)cc2)c2ccccc21 6327563 HLIQGFWTQATOLU-CAPFRKAQSA-N 358.239 4.020 0 40 FIAB O=c1c2c3c(sc2[nH]c(=S)n1CCc1ccc(F)cc1)CCCC3 6537381 WULJBIFDNVMJRR-UHFFFAOYSA-N 360.479 4.381 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1)c1nccs1 7001942 SUWFVPKTYIMPOW-UHFFFAOYSA-N 364.879 4.192 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCc1nc(-c2cccs2)no1 7047226 SVZUKPRTHAKCOG-UHFFFAOYSA-N 367.386 4.119 0 40 FIAB CCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 7544919 MKVNBIAKPPFMQB-HNNXBMFYSA-N 351.425 4.496 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1cccc(Cl)c1 7702025 WWZIVLTWIUNKHV-KRWDZBQOSA-N 363.891 4.469 0 40 FIAB CC(C)Cn1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1ccccc1 8268143 BAVRRERGBCMWPB-INIZCTEOSA-N 372.538 4.094 0 40 FIAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccccc1 9136408 ORTSAHBHCVYDJD-UHFFFAOYSA-N 356.425 4.418 0 40 FIAB COc1ccc(CC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1 10157723 VROWFVXKVZJPKC-UHFFFAOYSA-N 351.446 4.475 0 40 FIAB Cc1nc(-c2cccs2)c(CC(=O)NCCc2ccc(F)cc2)s1 11905910 YYURKGPXROYRNH-UHFFFAOYSA-N 360.479 4.221 0 40 FIAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(C(=O)c2nccs2)CC1 12157123 GWCIXYJWSBWLTP-UHFFFAOYSA-N 360.479 4.077 0 40 FIAB Fc1ccc(/C=C/c2nn3c(-c4cccc(F)c4F)nnc3s2)cc1 12407931 BKTYJLIOTIUMDB-RMKNXTFCSA-N 358.348 4.441 0 40 FIAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)o1 12517289 YPUAUJMVCRXRRX-FQEVSTJZSA-N 362.385 4.130 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12870208 MMFMESOMIFVHBG-UHFFFAOYSA-N 364.445 4.020 0 40 FIAB Fc1ccc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)c(F)c1 13655253 ISROIJKKLCJJGU-UHFFFAOYSA-N 350.300 4.076 0 40 FIAB COc1ccccc1[C@H](CCN[C@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccco1 13804705 IRQFLDPUVMQMKX-HNJRGHQBSA-N 356.510 4.129 0 40 FIAB Cc1cc(C(=O)Cn2c(=O)oc3ccccc32)c(C)n1Cc1cccs1 14376103 YJSLJMJXEFMKNY-UHFFFAOYSA-N 366.442 4.006 0 40 FIAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc3c(c2)OCO3)s1 15840225 TZCSIMUSPMAOQR-UHFFFAOYSA-N 358.444 4.090 0 40 FIAB Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccs2)cc1 16311639 JGHYKTCFMJVZRA-UHFFFAOYSA-N 360.446 4.034 0 40 FIAB CCC(=O)N1N=C(c2ccc(C)c(C)c2)Sc2c1nc(C)n2C(=O)CC 16777122 YLHWDEVCTOGPTD-UHFFFAOYSA-N 370.478 4.069 0 40 FIAB CSc1ccccc1C(=O)NCc1cc(-c2ccc(F)cc2F)on1 16975423 ZZAFKPGJIDQFCP-UHFFFAOYSA-N 360.385 4.272 0 40 FIAB Cc1cc(O[C@@H](C)c2nn3c(=O)c4ccccc4nc3s2)ccc1Cl 17076171 OBUSQTQSQIDAAK-NSHDSACASA-N 371.849 4.406 0 40 FIAB COc1cccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)c1 19238726 PEHSANYCIOHLHA-UHFFFAOYSA-N 369.490 4.495 0 40 FIAB CC(C)c1nccn1CCCn1cncc1-c1ccc2c(c1)CCCO2 19714081 DBHDREJJBRZYHZ-UHFFFAOYSA-N 350.466 4.285 0 40 FIAB C[C@H](NC(=O)COc1ccccc1Cl)c1cccc(Br)c1 20022766 LLQMIBHDPAMRBB-NSHDSACASA-N 368.658 4.359 0 40 FIAB Cc1cc(C(=O)N2N=C3CC[C@H](C)C[C@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 20058525 POGFEXBPRFRREM-PXTQAZKISA-N 374.790 4.147 0 40 FIAB CN(C(=O)COc1ccc2ccccc2c1Br)C1CCCC1 20111296 UIBZAQLZWZMNDK-UHFFFAOYSA-N 362.267 4.382 0 40 FIAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20738798 ANBTWTXWAARCPZ-INIZCTEOSA-N 366.808 4.375 0 40 FIAB CCn1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)c(=O)c2ccccc21 22234567 QWZDMDVNIKXWLG-CQSZACIVSA-N 366.486 4.234 0 40 FIAB Cc1nc(-c2ccc(N[C@H](C)C(=O)NCc3cccs3)cc2)cs1 28889469 QCYOSHXDSHPMSK-GFCCVEGCSA-N 357.504 4.297 0 40 FIAB CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccccc1)c1cccc(OC)c1 29328252 YITHKZWXNMYMBI-DYESRHJHSA-N 369.509 4.139 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cccc(F)c2F)c1 36357773 DZLPQKAPSLGZAE-AWEZNQCLSA-N 355.344 4.283 0 40 FIAB O=C(/C=C/c1cc2cccc3c2n(c1=O)CCC3)Nc1cccc(Cl)c1 36625771 WQVLPHIEVRRDTD-MDZDMXLPSA-N 364.832 4.253 0 40 FIAB O=C(OCc1coc(-c2cccs2)n1)c1cccc(OC(F)F)c1 39582192 IVCRLCGWVVQVOE-UHFFFAOYSA-N 351.330 4.362 0 40 FIAB CCCN(Cc1ccccc1)C(=O)Nc1cccc(CN2CCCC2=O)c1 40104947 IDQSATGFCOPGMY-UHFFFAOYSA-N 365.477 4.253 0 40 FIAB Fc1ccc(CN(CCCn2ccnc2)Cc2cc(F)cc(F)c2)cc1 43277675 SZUPMJBLZHOFMX-UHFFFAOYSA-N 359.395 4.393 0 40 FIAB COc1ccc(CCC(=O)N(Cc2ccsc2)Cc2ccccn2)cc1 44445999 AUDPYPIINVGPNI-UHFFFAOYSA-N 366.486 4.313 0 40 FIAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc[n+]1[O-] 45016042 NJMRLPDIAAYIBX-UHFFFAOYSA-N 373.437 4.363 0 40 FIAB O=C(CSc1ccc(O)cc1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 47894958 APOWQYYVEILERV-MRXNPFEDSA-N 368.414 4.048 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)SCC(=O)N2 49545231 TXURMLAQJKQLIQ-MRXNPFEDSA-N 359.838 4.406 0 40 FIAB CCOC(=O)C(=O)N1c2ccccc2[C@@](C)(c2ccc(C)cc2)CC1(C)C 59428101 ZEEFYORCIBLCES-HSZRJFAPSA-N 365.473 4.379 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1csc(-c2ccccn2)n1 65551591 WXZXIFVULNMUOJ-IBGZPJMESA-N 372.453 4.120 0 40 FIAB Cc1noc(C)c1CN(C)C(=O)c1csc(-c2ccccc2Cl)n1 66612022 VWBLJCKKGQAZKD-UHFFFAOYSA-N 361.854 4.341 0 40 FIAB CCOc1c(C)cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(C)c1C 72414296 YPMOJKRAJSUACJ-UHFFFAOYSA-N 370.474 4.360 0 40 FIAB C[C@H]1CCCN(CCCCNC(=O)Nc2ccc(Br)cc2)C1 75572447 PBRUMJFESWPDFV-AWEZNQCLSA-N 368.319 4.083 0 40 FIAB CC1(C)COC(C(C)(C)COC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)OC1 84673681 BZCDXSVZBWMGPZ-UKRRQHHQSA-N 368.420 4.037 0 40 FIAB CC(C)Cc1nnc(NC(=O)c2cccnc2Nc2cccc(F)c2)s1 89856620 BNUVJORMWBQZCH-UHFFFAOYSA-N 371.441 4.267 0 40 FIAB CC[C@@H](CC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)SC 89942960 OMIFZEPYHBKRKB-VIFPVBQESA-N 350.267 4.007 0 40 FIAB C[C@H](Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 96003539 WANULFVADKJCOY-AZUAARDMSA-N 363.505 4.136 0 40 FIAB O=C(NCCc1ccc(Cl)cc1)c1cccc(Oc2ccccn2)c1 96122628 BJXCIXXYISNDNR-UHFFFAOYSA-N 352.821 4.500 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3Cc2ccccc2)c1 100423180 RXPRGCSZFPTFAX-NHCUHLMSSA-N 365.546 4.477 0 40 FIAB COc1cc(C)ccc1Oc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cn1 102167959 CEIQNQUDZMEXRQ-YQQAZPJKSA-N 350.418 4.342 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(F)cc2)C[C@@H](c2ccccc2)C1 102614999 VIXMCWSMAMARFX-FOIQADDNSA-N 360.392 4.482 0 40 FIAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)S1 222622636 WOVUKKKQZPXSHH-BEVDRBHNSA-N 360.486 4.462 0 40 FIAB O=C(OCc1c(Cl)cccc1Cl)c1snnc1-c1cccnc1 223852247 KFHXAUZQNLUJTN-UHFFFAOYSA-N 366.229 4.264 0 40 FIAB COc1ccccc1OCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225140132 ILOZMTHWTSBUMJ-QGZVFWFLSA-N 371.477 4.090 0 40 FIAB COc1ccc(NC(=S)NCCCc2ccccc2Cl)cc1OC 225539982 REGRMSSOQSIKEY-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB S=C(NCCCc1ccccc1Cl)Nc1ccc2c(c1)OCCO2 225540655 FXSDYKFYWPIVEC-UHFFFAOYSA-N 362.882 4.030 0 40 FIAB Cc1cc(CN(C(=O)c2ccc3nc(Cl)oc3c2)C(C)C)c(C)n1C 225985356 QZPXQBZSANHSPT-UHFFFAOYSA-N 359.857 4.487 0 40 FIAB Cc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)s1 306125728 DAASYGHBYCLAKL-IBGZPJMESA-N 371.531 4.156 0 40 FIAB CCOc1ccc(O[C@@H](C)c2nnc(-c3c(C)nn(CC)c3C)o2)cc1 1117179932 XLRODIYZRLASQR-AWEZNQCLSA-N 356.426 4.109 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)CC(F)(F)F)CN1c1ccc(F)cc1 2037988990 QHWCWXUQEARAOI-QGZVFWFLSA-N 358.379 4.128 0 40 FIAB CCCN(C(=O)Cc1cccs1)c1nnc(-c2ccc(F)cc2)s1 1356334 BHPIZNLGRBHRLW-UHFFFAOYSA-N 361.467 4.391 0 40 FIAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(C)=O)cc12 1522228 REBPKBISWAXMPE-UHFFFAOYSA-N 351.402 4.349 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1cccc(Cl)c1 2258576 DZFPCADKAPGWOQ-UHFFFAOYSA-N 352.143 4.156 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC(C)(C)OC2 2270684 LKVSKYQZAGSOAD-UHFFFAOYSA-N 373.474 4.337 0 40 FIAB Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1 2374890 VRGCZRLDXAZCCX-UHFFFAOYSA-N 371.076 4.145 0 40 FIAB C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 3342164 OJBNXOVPWVCRDV-SNVBAGLBSA-N 355.287 4.029 0 40 FIAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1c2c(nc3ccccc13)CCC2 3571466 QZYAHZVXGAWFRT-UHFFFAOYSA-N 370.408 4.245 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)NCCC3=CCCCC3)[nH]c2c1 4252459 CDDCMFMBNWVAAS-CYBMUJFWSA-N 359.495 4.059 0 40 FIAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccccc1)c1ccccn1 4561900 NXUSSAFLABZJBF-UHFFFAOYSA-N 358.850 4.131 0 40 FIAB CCCC(=O)N1c2ncnn2[C@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 4816467 IFNWSHMFHCXEOQ-PMACEKPBSA-N 360.461 4.454 0 40 FIAB CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 4816529 VPGIUGGPHWTHEZ-UXHICEINSA-N 360.461 4.372 0 40 FIAB O=C(/C=C\c1ccccc1)OCCCCOC(=O)/C=C/c1ccccc1 4946020 OWHNFZZYMMANGT-VCFJNTAESA-N 350.414 4.280 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1C 4954411 VRSGZAUVUOCPCH-UHFFFAOYSA-N 366.490 4.084 0 40 FIAB COc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC 5257828 WHMJNZPIGWESGM-ZHHULCEESA-N 373.493 4.047 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](c3c(F)cccc3Cl)C3=C2COC3=O)cc1 5267484 ZOIZSJSJQQGWPT-CYBMUJFWSA-N 371.795 4.119 0 40 FIAB Cc1nc2ccccc2n1CC(=O)N1CC[C@H](C)Sc2ccccc21 5627714 RZSIPPQKPQFAMA-AWEZNQCLSA-N 351.475 4.262 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)C1 6046016 JKVSNRRYIDBCAS-LBPRGKRZSA-N 357.479 4.396 0 40 FIAB CCn1c(=S)sc2c(=O)n(Cc3c(F)cccc3Cl)c(C)nc21 6661629 CXAJZHAPZYWTDX-UHFFFAOYSA-N 369.874 4.158 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)[C@H]1C 6795713 APIOFWMIYQNSTG-IPJCAIGPSA-N 364.574 4.429 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)c1cccs1 6976241 ZRKHMJLNHXRGJZ-NSHDSACASA-N 357.306 4.364 0 40 FIAB S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(Br)c1 7601481 OVQVXOMLYLYLIE-UHFFFAOYSA-N 361.268 4.114 0 40 FIAB CCOC(=O)c1oc2ccccc2c1CN(C)Cc1ccc(OC)cc1 7652679 FRZXIVUHZRYJTG-UHFFFAOYSA-N 353.418 4.250 0 40 FIAB O=C(c1ccc(-n2cccn2)cc1)N1CCC(c2nc3ccccc3o2)CC1 7990918 NWLVPSCUOHNJLP-UHFFFAOYSA-N 372.428 4.033 0 40 FIAB COc1cc(NC(=O)C(F)(F)F)ccc1NC(=O)c1ccccc1Cl 8071203 WIKDEAWOXQFXBN-UHFFFAOYSA-N 372.730 4.102 0 40 FIAB CCOc1ccc(C(=O)Cn2nc(-c3ccc(C)cc3)oc2=S)cc1 8324022 PATCXPRVUMAIQW-UHFFFAOYSA-N 354.431 4.463 0 40 FIAB O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@H]1c1nc2ccccc2s1 8340271 JHXBOHCLZNWXDO-WMZOPIPTSA-N 364.470 4.354 0 40 FIAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 8539073 MCCGKMLZBIBKLI-NVXWUHKLSA-N 372.538 4.143 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1)N(CCc1c[nH]c3ccccc13)C2=O 8992759 CASUFBCHICFQOJ-OAQYLSRUSA-N 374.419 4.126 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3s2)c1C 9336768 OGFLBIAVVBJCOL-CYBMUJFWSA-N 369.442 4.477 0 40 FIAB COc1ccc2c(CC(=O)N(Cc3ccc(F)cc3)C3CC3)coc2c1 9501101 LFIQHXAPTFCBOJ-UHFFFAOYSA-N 353.393 4.314 0 40 FIAB COc1ccc(OC)c(C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c1 10322032 NXZOTQNWGHELHA-UHFFFAOYSA-N 373.412 4.271 0 40 FIAB Cc1sc(-c2ccccc2F)nc1C(=O)Nc1ccc2c(c1)OCCO2 11691894 GNLQHJBGWQIVPL-UHFFFAOYSA-N 370.405 4.281 0 40 FIAB CC(C)N(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccccc1 12520156 QGFPZIJGJFSYRP-UHFFFAOYSA-N 361.367 4.497 0 40 FIAB CC(C)c1ccccc1OCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12549954 QFJUMLCBWKMNME-QGZVFWFLSA-N 363.461 4.252 0 40 FIAB COc1ccc(C)cc1-c1csc(NC(=O)c2cccnc2SC)n1 12599021 NUROZUVGXRFSNL-UHFFFAOYSA-N 371.487 4.496 0 40 FIAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 12872945 KSRTZEMAFIFUMR-QGZVFWFLSA-N 373.456 4.426 0 40 FIAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccc(Cl)c1 12897187 PGBGKZKNQYBAGD-GFCCVEGCSA-N 357.866 4.278 0 40 FIAB O=C(O)/C=C\C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 13382176 LVEUADPGGSTCQW-KHPPLWFESA-N 350.399 4.056 0 40 FIAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 14234618 DZPPVMDLGAIWSE-JTQLQIEISA-N 372.466 4.293 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Br)c1OC 14426834 CXWDJUXADOWDMZ-UHFFFAOYSA-N 364.239 4.417 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1csc(-c2ccccc2)n1 15832328 YTKKLWUTEANVLL-UHFFFAOYSA-N 358.850 4.159 0 40 FIAB Cc1cccc(OS(=O)(=O)c2ccc(Br)cc2Cl)c1 16089826 QIVUVQSKTDFKPX-UHFFFAOYSA-N 361.644 4.179 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccc(F)cc1F 18181179 QNDXJFIZPPXXKQ-UHFFFAOYSA-N 370.403 4.431 0 40 FIAB COc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1CN1CCCC1 19714664 HRMSPMTYQAQOBF-UHFFFAOYSA-N 359.495 4.123 0 40 FIAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 20460218 YVCMYFCEKIXBMM-UHFFFAOYSA-N 358.290 4.264 0 40 FIAB CCOC(=O)C(CCCCCCOc1ccc(Cl)cc1)C(=O)OCC 22057313 KLEJRMKADGWXMC-UHFFFAOYSA-N 370.873 4.412 0 40 FIAB in-vitro Cc1cccc(OCC(=O)NCc2cc(-c3cc4ccccc4o3)on2)c1 22768758 MTONYRMENSXQRR-UHFFFAOYSA-N 362.385 4.091 0 40 FIAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1 25063504 RCQSJWFAKCOAJU-CQSZACIVSA-N 374.554 4.270 0 40 FIAB O=C(Cc1ccccc1)NCC(=O)Nc1ccc(SC2CCCC2)cc1 30182705 VJVQEKWLWUDBMH-UHFFFAOYSA-N 368.502 4.019 0 40 FIAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc2cc[nH]c2c1)C1CC1 32089207 XDAPKBYUCVXOCC-UHFFFAOYSA-N 354.837 4.391 0 40 FIAB O=C(CSc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2)c1 32462568 NQFBFBVYLRXYBT-UHFFFAOYSA-N 374.937 4.344 0 40 FIAB CC[C@H](C)NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32579050 QZAFFVXYMABFPK-HNNXBMFYSA-N 365.433 4.006 0 40 FIAB Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c(O)c1 32820431 USVZUMDWXAEGNA-UHFFFAOYSA-N 362.414 4.020 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C)cc2)cc1OC 32895143 ASYXNPXZFLBKRC-QFBILLFUSA-N 369.461 4.143 0 40 FIAB Fc1ccc(NC(=S)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1 35314262 YEPWNWQHJPBLHU-UHFFFAOYSA-N 372.444 4.348 0 40 FIAB Cc1noc(CCCC(=O)Nc2ccccc2Sc2ccccc2)n1 41620080 JPJUFKCWMZQMNO-UHFFFAOYSA-N 353.447 4.491 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 43159696 IJRGSRNCVBXGAC-UHFFFAOYSA-N 366.339 4.156 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccccc1F 43277795 HHWACEXPLHBLPY-UHFFFAOYSA-N 353.441 4.123 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875262 NDBKUMZCBRQIGK-IBGZPJMESA-N 366.505 4.065 0 40 FIAB Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 44912256 IBSFESXMKANTFX-LJQANCHMSA-N 356.897 4.177 0 40 FIAB N=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3cccs3)cc2F)N1 48367224 HTDHVYVUBUJFKP-QGZVFWFLSA-N 363.421 4.401 0 40 FIAB COC(=O)CCN(Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)CC(C)C 48369004 FZKCYYXZEVBRFW-UHFFFAOYSA-N 373.493 4.246 0 40 FIAB O[C@@H](CN1CCC[C@H]1c1nc2ccccc2s1)c1c(F)cccc1F 51118129 YACPLHCFHAIVCY-HOTGVXAUSA-N 360.429 4.445 0 40 FIAB Clc1ccccc1OCc1nnc(SCc2nc3ccccc3[nH]2)o1 53907479 DBBCMYSXMQJMFX-UHFFFAOYSA-N 372.837 4.471 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 58159849 HGYMHHDTKKRTAS-UHFFFAOYSA-N 365.412 4.022 0 40 FIAB O=C(NCc1ccc(O)cc1)c1cc2ccccc2n1Cc1ccccc1 65612655 WFFPIYUAWZWTJW-UHFFFAOYSA-N 356.425 4.325 0 40 FIAB CC(C)Cn1ccc2cc(NC(=O)NC[C@@H](C)CC3(C)OCCO3)ccc21 72313639 ZVLDFXSCFUYQBW-INIZCTEOSA-N 373.497 4.208 0 40 FIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 72378866 XDKJEKKYIJFLSM-LJQANCHMSA-N 374.488 4.411 0 40 FIAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cccc2[nH]ccc12 72400385 TYAVZPDYOPUZQF-UHFFFAOYSA-N 374.444 4.077 0 40 FIAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 75936132 CAARPERJGJKEFP-UHFFFAOYSA-N 362.351 4.044 0 40 FIAB Cc1ccccc1[C@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(C)(C)C 79025006 BQYCPGGXDFNFHG-YOEHRIQHSA-N 358.507 4.078 0 40 FIAB CN(c1ccccc1NC(=O)NC[C@H](c1ccco1)N(C)C)C1CCCC1 83847734 IXAOCFRQKXLJAT-LJQANCHMSA-N 370.497 4.083 0 40 FIAB Cn1c(CN2CCC[C@H]2c2ccccc2C(F)(F)F)nnc1C1CC1 84304299 JNXBXZTUFQMZSU-HNNXBMFYSA-N 350.388 4.048 0 40 FIAB CC(C)c1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)nn1C(C)(C)C 107929990 OYYWEKMPJSKHIZ-UHFFFAOYSA-N 364.493 4.441 0 40 FIAB C[C@@H]1[C@@H](NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)CCC[C@H]1C 108852093 XTOLYXKPYLHHQR-WQGACYEGSA-N 372.292 4.020 0 40 FIAB Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)N[C@H]3CCCc4occc43)nc2c1 194664188 NEYGDQOGJNUQMS-YJBOKZPZSA-N 364.449 4.388 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219326978 CESKRBUURUCECC-MSOLQXFVSA-N 357.425 4.402 0 40 FIAB CC[C@H](NC(=O)COc1ccccc1C(C)C)c1ccc(OC)c(OC)c1 222813546 XFPJRGMZKJPOSE-SFHVURJKSA-N 371.477 4.474 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NCCOc1ccc(F)cc1 223418769 DAUZJEWBURKVAZ-UHFFFAOYSA-N 353.846 4.157 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)NCCSCc1ccco1 224060989 HWDJNEHEVMLMPB-UHFFFAOYSA-N 373.902 4.355 0 40 FIAB Cc1ccc(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1C 225156292 DBVZHTHRNIXYHN-UHFFFAOYSA-N 354.475 4.442 0 40 FIAB CCC1(CC)C[C@H](NC(=O)COc2cccc(OC)c2)c2ccccc2O1 225370308 XRDYBBYLMDECPT-IBGZPJMESA-N 369.461 4.273 0 40 FIAB COC(=O)c1sccc1NC(=O)c1ccc(Oc2nccs2)cc1 225636143 YNZKQEMEFGUCAP-UHFFFAOYSA-N 360.416 4.036 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(N(CC)C(=O)C(F)(F)F)cc2)cc1 226285319 RKXQLSXQACHPEJ-UHFFFAOYSA-N 364.367 4.417 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 226288165 HTCTXCFVNROLFC-UHFFFAOYSA-N 358.397 4.108 0 40 FIAB Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1C 244326355 XLIZWZGRIYHUSY-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB O=C(Nc1cccc(Cl)c1)N1CCC(Oc2ccncc2Cl)CC1 245187567 ZOPCKYMGLZCIPC-UHFFFAOYSA-N 366.248 4.464 0 40 FIAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnc(OCC2CC2)c1 253400275 KYLCMNQSSBMRIG-UHFFFAOYSA-N 352.312 4.021 0 40 FIAB Cc1ccc(C)c(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)c1 408708023 FSJVHNCPMXUNGK-UHFFFAOYSA-N 372.468 4.190 0 40 FIAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cc2c(cc1Cl)OCO2 408718062 GMXQMIAHZVSPFO-ACAGNQJTSA-N 362.168 4.067 0 40 FIAB O=C(NCC[C@H](CCO)c1ccsc1)Nc1cccc(C(F)(F)F)c1 575608139 PSEYOXRHEHHPEI-GFCCVEGCSA-N 372.412 4.445 0 40 FIAB O=C(/C=C/c1ccsc1)NC[C@H](O)c1ccc(-c2ccsc2)cc1 618256523 TYKGXDLPFNVIDM-YMRVXXMPSA-N 355.484 4.340 0 40 FIAB O=C(O)[C@H](c1ccsc1)N1CCC(c2nc3ccccc3s2)CC1 652376025 QCSQMJKUEJNAJU-INIZCTEOSA-N 358.488 4.363 0 40 FIAB Cc1ccc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 843004 ZDLYCTHVBVAONV-OAHLLOKOSA-N 353.472 4.431 0 40 FIAB COc1ccc(CCNc2ncc3c(n2)C[C@H](c2ccccc2)CC3=O)cc1 1459822 SCRKZYIKSLIHLJ-SFHVURJKSA-N 373.456 4.053 0 40 FIAB Cc1cc(C)n(C(=O)CCCCCCCCC(=O)n2nc(C)cc2C)n1 2685715 DGGVAGBSVYVLOO-UHFFFAOYSA-N 358.486 4.415 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)c1 2726612 MSHVDTXHQAJHMI-UHFFFAOYSA-N 368.414 4.057 0 40 FIAB O=C1N/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1 3659123 GTABCRPOWLIMCA-ZSOIEALJSA-N 366.726 4.456 0 40 FIAB Cc1cc2cc(CNS(=O)(=O)c3ccc4ccccc4c3)ccc2n1C 4061601 BODQLWVKWBTRKS-UHFFFAOYSA-N 364.470 4.118 0 40 FIAB COc1ccc(-c2cc3ccc(OC(=O)C(C)C)cc3oc2=O)c(OC)c1 4085353 YRLYGXOEVHIVTG-UHFFFAOYSA-N 368.385 4.039 0 40 FIAB biogenic CCCCOP(=O)(OCCCC)O[C@H](C(=O)OCC)C(F)(F)F 4277126 WEBLQRFRVPLHKB-LLVKDONJSA-N 364.297 4.239 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3)s2)cc1 4619307 SPIHOCONPNBSIJ-UHFFFAOYSA-N 356.476 4.321 0 40 FIAB O=C(O)C[C@H](NC(=O)C1CCCCC1)c1ccc(OC2CCCC2)cc1 4689326 XZCKYLGVXUYLJU-IBGZPJMESA-N 359.466 4.220 0 40 FIAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N4CCCCC4)c(C)c32)c1C 4744371 GPKZXHUWSIUQLB-UHFFFAOYSA-N 367.445 4.328 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccccc1 4854230 NJMNAQCFXRJHGX-IBGZPJMESA-N 353.372 4.403 0 40 FIAB COc1ccc(-c2csc3nnc(SCc4ccccn4)n23)cc1 4858907 WVESWGCMAZEQNL-UHFFFAOYSA-N 354.460 4.154 0 40 FIAB Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@@H](c2ccco2)C3)cc1 4912809 YOQGRXSLGLAGIL-INIZCTEOSA-N 363.413 4.494 0 40 FIAB O=C(CSc1ccc(-c2ccccc2)nn1)Nc1ccc(F)c(F)c1 5107752 UGYOHUJBLNUJCA-UHFFFAOYSA-N 357.385 4.153 0 40 FIAB Cc1ccc2cccc(OCC(=O)Nc3cccc(Br)c3)c2n1 5198588 MHCUSSOCTLDPBU-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB C[C@@H](NC(=O)CCCCC(=O)N[C@H](C)c1ccccc1)c1ccccc1 5723153 XDJKYKRUABZEIO-QZTJIDSGSA-N 352.478 4.302 0 40 FIAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2coc3cc(C)ccc23)c1 7007469 FRLQKAJHPIRDCI-UHFFFAOYSA-N 364.445 4.404 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)N(Cc1ccco1)Cc1cccs1 7217281 WQZRNJBOTYTECO-JLHYYAGUSA-N 359.472 4.344 0 40 FIAB COc1ccc(CN(C)CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 7653175 YYRPTJTYKMYFLO-UHFFFAOYSA-N 367.276 4.381 0 40 FIAB COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2ccc(C)o2)cc1 7884435 GXAXAJFUMNTLFU-NRFANRHFSA-N 362.429 4.406 0 40 FIAB CCN(CC)c1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 7983506 BPLUMMPKLQFDBU-QGZVFWFLSA-N 362.477 4.210 0 40 FIAB COc1ccc(OC)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1 7995941 QMQWGOGKYASEBT-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3cc(Cl)ccc3F)ccc(F)c21 8755598 UIBMVJOMDNHQDU-VIFPVBQESA-N 365.763 4.326 0 40 FIAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)N3CCCCC3)s2)cc1 8771260 RTGFQWLFWSJCOV-UHFFFAOYSA-N 358.467 4.030 0 40 FIAB CSc1cccc(NC(=O)CN(C)CCOc2ccc(Cl)cc2)c1 9052309 CCGZWHDEUBSRCI-UHFFFAOYSA-N 364.898 4.011 0 40 FIAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N(CCO)Cc1ccccc1 9134698 XEGHUZFZDVCADR-UHFFFAOYSA-N 372.424 4.130 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(CSc2ccccc2)s1 9355806 HJPFRCIGQKDSJQ-ZDUSSCGKSA-N 371.487 4.236 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1 9690202 DGHWFICSGTXRLD-YJBOKZPZSA-N 370.880 4.070 0 40 FIAB CC1CCN(CCCNC(=O)CCSc2ccc(Cl)cc2)CC1 10540292 HNSKCRHDSSADTN-UHFFFAOYSA-N 354.947 4.060 0 40 FIAB CCCn1c(SCC(=O)N[C@@H](C)CC)nc2ccc(C(F)(F)F)cc21 11021815 KSULSWFIWXDVPC-NSHDSACASA-N 373.444 4.472 0 40 FIAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)c1 12111400 UMAGYWWCRBERTN-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccncc2)cc1 12543207 MQAFEMBGKSUWAS-UHFFFAOYSA-N 358.420 4.363 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12657900 YRLVTBXOGJMZNC-XMVYKLQCSA-N 372.505 4.217 0 40 FIAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(Cl)c(Cl)c1 12798896 INTPSTJITZVMPB-UHFFFAOYSA-N 373.186 4.030 0 40 FIAB Cc1noc(C)c1Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)o1 13640983 HCQGPWIYKDRJNC-UHFFFAOYSA-N 354.450 4.174 0 40 FIAB Cc1ccc(C)c([C@@H](C)NS(=O)(=O)c2ccc(Br)s2)c1 13649039 PEBSYHRHUKGEFI-LLVKDONJSA-N 374.325 4.167 0 40 FIAB CC(C)c1ccc(-c2nc(CC(=O)NCc3ccccn3)cs2)cc1 13718773 QONQYYRZDWDDBU-UHFFFAOYSA-N 351.475 4.187 0 40 FIAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)c(Br)cc1OC 15011374 FXBBQZYOPGPYEX-MDWZMJQESA-N 374.234 4.349 0 40 FIAB Fc1ccc(CSc2nnc(NC[C@@H]3CCCO3)s2)c(Cl)c1 16330910 NVRJXOHKLKAUEY-NSHDSACASA-N 359.879 4.214 0 40 FIAB C[C@@H]1Cc2cc(-c3csc(NC(=O)CCc4ccncc4)n3)ccc2O1 19498237 VZZMPAPFLDYZSX-CYBMUJFWSA-N 365.458 4.100 0 40 FIAB COc1ccccc1-c1csc(NC(=O)CCCc2ccccn2)n1 19571858 QJSVIHWIVPNMKV-UHFFFAOYSA-N 353.447 4.175 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSC1CCCCC1 20492784 KLISJWXMHPJYTM-GOSISDBHSA-N 351.512 4.035 0 40 FIAB CCCCCc1ccc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1 24667925 UPNZDRJPOLMWDF-UHFFFAOYSA-N 361.445 4.218 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)N(C)C 25331364 RMADLLHHSAQSQX-BLLLJJGKSA-N 368.955 4.301 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 29478337 JLTYRDUPDDHOJM-NRFANRHFSA-N 369.509 4.071 0 40 FIAB O=C(CSc1ccncc1)Nc1ccc(-c2cn3ccccc3n2)cc1 29805240 UQCLAHXKJOJLAC-UHFFFAOYSA-N 360.442 4.127 0 40 FIAB CC(C)Oc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1Cl 31049626 WLJHGBCKLPUEJL-UHFFFAOYSA-N 362.813 4.178 0 40 FIAB O=C(Nc1ccccc1-c1cccs1)[C@@H]1CC(=O)N(c2ccccc2)C1 31949520 XXIIVDMSTQOSTK-OAHLLOKOSA-N 362.454 4.407 0 40 FIAB O=C(O)c1cccc(CNc2nc3cc(Cl)c4cccnc4c3o2)c1 45221862 LHAYLXNEAQQELU-UHFFFAOYSA-N 353.765 4.340 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@H](C)c2ccc(C)cc2)c1 45719096 WMDPVNZICRDMOD-JKSUJKDBSA-N 353.466 4.417 0 40 FIAB CC(C)NC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccsc2)c1 48260981 ZSQXEVXWUOLUGQ-KRWDZBQOSA-N 357.479 4.255 0 40 FIAB Cc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)ccc1F 51364565 CCINFSWURFSKNE-QGZVFWFLSA-N 362.404 4.293 0 40 FIAB C[C@@H](c1ccc(Cl)cc1)N(Cn1ncc2ccccc2c1=O)C1CC1 58158619 AXMJFHDLQGOTMB-AWEZNQCLSA-N 353.853 4.233 0 40 FIAB CC(C)C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1cccs1 58225025 KVCIUULOLMNONV-HNNXBMFYSA-N 370.478 4.029 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 58425836 VCFVRRQPPQGKJM-UHFFFAOYSA-N 355.825 4.160 0 40 FIAB COc1ccc(-n2nc(C(=O)O)cc2-c2ccc3cc(OC)ccc3c2)cc1 59472452 OCEZCKOKQZYWLR-UHFFFAOYSA-N 374.396 4.408 0 40 FIAB C[C@@](O)(CCc1ccccc1)CNC(=O)Nc1ccc(C(F)(F)F)cc1 62021538 OWVNDNOHFZQWOB-GOSISDBHSA-N 366.383 4.211 0 40 FIAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)C1CC1 65806688 OAPWWDTXNRGSHM-UHFFFAOYSA-N 354.837 4.168 0 40 FIAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)cc1 67259344 AYQOICQBLJUWPA-UHFFFAOYSA-N 373.481 4.441 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)c(C)c1 68740859 HWZOVVOFUPBSTN-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CCN(CC)Cc1nnc2sc(-c3ccc(Cl)c(Cl)c3)nn12 71260543 VWETZTIOKNCGJE-UHFFFAOYSA-N 356.282 4.001 0 40 FIAB C[C@@H](NC(=O)CCCOc1ccccc1Cl)c1nc(C(C)(C)C)no1 72303565 YAHNTMASLHZHRG-GFCCVEGCSA-N 365.861 4.057 0 40 FIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4cccc(F)c4F)C3)n2)c1 72369909 IBXAHRCESNKRTF-OAHLLOKOSA-N 371.387 4.013 0 40 FIAB O=C(Nc1ccccc1Oc1ncc(Cl)cc1Cl)[C@@H]1CCCO1 78935694 WABBVQJQBGYWHO-AWEZNQCLSA-N 353.205 4.298 0 40 FIAB COc1ccccc1NC(=O)c1ccc(CSc2nc(C)cc(C)n2)o1 79501210 MXWVLIJANYZEAY-UHFFFAOYSA-N 369.446 4.240 0 40 FIAB O=C(NCc1ccccc1)N1CCO[C@H](c2cc(Cl)cc(Cl)c2)C1 85562274 MHNZRLMUYYXVQE-KRWDZBQOSA-N 365.260 4.277 0 40 FIAB CC(=O)N1CCC(C(=O)O[C@@H](c2c(Cl)cccc2Cl)C(C)C)CC1 89791411 CFMNLAVMZCNFJV-QGZVFWFLSA-N 372.292 4.492 0 40 FIAB COc1ccc2c(c1)sc1nc(O)c(-c3c(C)cc(C)cc3C)c(=O)n12 95346827 LQIIUHVWGGKSNK-UHFFFAOYSA-N 366.442 4.216 0 40 FIAB Cc1ncccc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 108278980 KNVWWXYHVKAXKO-MRXNPFEDSA-N 369.223 4.050 0 40 FIAB O=C(O)[C@H]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1 108654944 OUSSJHVPDFGCHC-PMACEKPBSA-N 351.446 4.106 0 40 FIAB O=C(Nc1ccc(N2CCCC2)nc1)c1cnc(-c2ccsc2)s1 112271224 LOKYSTPSNDYLBX-UHFFFAOYSA-N 356.476 4.119 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)ccc1C)CC(C)(C)O2 218952021 LSZVTBPCVREZDI-SFHVURJKSA-N 369.461 4.109 0 40 FIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCCc1ccccc1 219467298 ZEBSCAYJXXPXPB-UHFFFAOYSA-N 372.468 4.329 0 40 FIAB CC(C)Oc1cccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 222650203 ZLEOEDSWQXTFTO-KRWDZBQOSA-N 367.489 4.436 0 40 FIAB O=C(CSCc1ccccc1F)NCCSCc1ccccc1F 222706952 NANCUCBDWWXFAO-UHFFFAOYSA-N 367.486 4.248 0 40 FIAB Cc1cccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 224331178 ODOAKLIQGOPTIA-UHFFFAOYSA-N 366.505 4.036 0 40 FIAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(OC)cc1 224601720 QWODXSQDQXMIMS-UHFFFAOYSA-N 369.461 4.299 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)cc1 225571031 UHNDULFIKNBTPF-UHFFFAOYSA-N 362.355 4.298 0 40 FIAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225701721 BUPKFTQBOLQZNR-SFHVURJKSA-N 357.878 4.289 0 40 FIAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 225773795 ADFVBVWXZYFCFT-UHFFFAOYSA-N 368.477 4.103 0 40 FIAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225799708 TTZYRHWVGFFPKQ-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB COc1cc(Br)c2[nH]c(-c3ccc(OC)c(OC)c3)nc2c1 226343480 RLRYHNXLGDJCPU-UHFFFAOYSA-N 363.211 4.018 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H]2c2ccncn2)cc1 257321425 WBQQBCJYBKGZTA-NRFANRHFSA-N 359.429 4.179 0 40 FIAB CO[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccsc2)c2nc(C)cs2)CC1 257331717 XTYXTNONMBWVCA-JYJNAYRXSA-N 364.536 4.118 0 40 FIAB CC1=CSC2=NC(C)=C(C(N)=O)[C@@H](c3cccc(Cl)c3Cl)N12 408991943 RQBRGYFDYLYUDU-CYBMUJFWSA-N 354.262 4.074 0 40 FIAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccc(C)c(C)c2)n1 409384328 ACAGGOPTIDCUHC-UHFFFAOYSA-N 355.385 4.151 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)N=c2ccn(C(C)C)[nH]2)cc1 519681292 GYEURBBPNQIGCO-SFHVURJKSA-N 356.470 4.044 0 40 FIAB C[C@H](N[C@@H]1C[C@H](N)c2ccccc21)[C@H](OC1CCOCC1)c1ccccc1 569211727 BQRFQWFUZOYPIR-YWQVJIEVSA-N 366.505 4.046 0 40 FIAB Cn1ccnc1[C@@H]1N(C(=O)Nc2ccnc(-c3ccccc3)c2)CC1(C)C 573895811 SMRLRCGKQADSKK-SFHVURJKSA-N 361.449 4.097 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@]3(CCCN3Cc3cccc(F)c3)CC2)o1 585100364 JFNVWQXPCBZZLQ-QFIPXVFZSA-N 370.468 4.388 0 40 FIAB COc1ccc(-c2oc3cc4oc(=O)cc(C)c4cc3c2CC(=O)O)cc1 1547138292 GCSANVUJUSYDPM-UHFFFAOYSA-N 364.353 4.150 0 40 FIAB biogenic C[C@@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 1565519080 NQQODBDWMJAXEP-KDOFPFPSSA-N 364.474 4.283 0 40 FIAB Cc1cncc(C(=O)N2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)c1 1615121415 DITAZAUKHHTBQZ-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB c1ncn(-c2ccc(-c3ccc(-c4ccc(-n5cncn5)cc4)cc3)cc2)n1 1857795570 AURBBGWXESBKMT-UHFFFAOYSA-N 364.412 4.182 0 40 FIAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccc(C(C)(C)C)cc2)nn1 1889125091 KVRRADJGGGJGPU-WCRBZPEASA-N 368.525 4.090 0 40 FIAB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc(Cl)cc1 644722 JCTRZHRQZRMUNS-INIZCTEOSA-N 370.619 4.060 0 40 FIAB CCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 670988 SNBXAUNDTVGUTD-UHFFFAOYSA-N 355.235 4.414 0 40 FIAB CCc1nc(SCC(=O)NC2CCCCC2)c2c(C)c(C)sc2n1 1372123 VIPAAGNHRVBQBE-UHFFFAOYSA-N 363.552 4.412 0 40 FIAB CCCCN(C)C(=O)Cc1c(OC)ccc2cc(Br)ccc12 2172750 RBEJXFHBHYZSBH-UHFFFAOYSA-N 364.283 4.412 0 40 FIAB CC[n+]1cccc([C@H]2CCCCN2C(=O)c2ccccc2Br)c1 2332159 MVNOLAJGICWLSV-GOSISDBHSA-N 374.302 4.124 0 40 FIAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccccc1F 2468252 NXDFWHLXLMWSEL-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)/C=C/c3ccco3)n2)c1 2662962 OYGGTAUEZDSXPZ-SOFGYWHQSA-N 356.403 4.072 0 40 FIAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccccc3)s2)cc1C 2887819 DOAJMHLNAMCYJS-UHFFFAOYSA-N 351.475 4.401 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccco1)CC2 3227872 TVLHQBUBPWDCMH-LJQANCHMSA-N 369.442 4.146 0 40 FIAB Cc1nnc(S[C@H](C)C(=O)c2ccc(F)c(F)c2)n1-c1ccccc1 3349871 MAICFTMXTXWOKW-LLVKDONJSA-N 359.401 4.217 0 40 FIAB O=C(COC(=O)c1cccc2ccccc12)NCCc1ccc(Cl)cc1 3438350 JQQYWQTWVVNIEH-UHFFFAOYSA-N 367.832 4.009 0 40 FIAB COc1ccccc1-n1nnnc1Sc1ccnc2cc(Cl)ccc12 3534102 GBLQXWHACCPUCD-UHFFFAOYSA-N 369.837 4.024 0 40 FIAB OCCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 3648952 IOEGQBHAJPKTKI-UHFFFAOYSA-N 358.869 4.474 0 40 FIAB CCN(CC)CCNC(=O)c1cnc(-c2ccccc2C)c2ccccc12 4216669 OIMMXIJXYSXFKM-UHFFFAOYSA-N 361.489 4.282 0 40 FIAB in-man O=C(CSc1ccccc1C(=O)O)Nc1ccccc1C(F)(F)F 4280253 XGOUZDOOJSGOEM-UHFFFAOYSA-N 355.337 4.134 0 40 FIAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4)cc3n2)cc1 4690197 NNHFEBIBFWVRBC-UHFFFAOYSA-N 372.428 4.000 0 40 FIAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc2ccccc2[nH]1 4830051 QMVNHXGLOFAZKG-UHFFFAOYSA-N 353.491 4.482 0 40 FIAB CC(C)(C)C(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967151 IHYXYZUHAYUQHN-UHFFFAOYSA-N 363.914 4.158 0 40 FIAB CNC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC[C@H](C)C2 5055561 AAJSRDKZKNZIDG-QMMMGPOBSA-N 368.911 4.200 0 40 FIAB O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NC1CCCC1 5146432 FMUZYBUWBYPEOV-UHFFFAOYSA-N 359.882 4.318 0 40 FIAB C[C@@H](NC(=O)c1ccc(Br)o1)C12CC3CC(CC(C3)C1)C2 5443998 JWKWSGPZGQBFGS-LKBWSCCASA-N 352.272 4.377 0 40 FIAB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c2ccccc12 5513394 GGLPLZILUCNVFY-PZJWPPBQSA-N 372.424 4.018 0 40 FIAB O=C(Cc1ccc(Cl)cc1Cl)NC[C@@H](c1ccco1)N1CCCC1 5704796 BMBUWTVEMVCOAM-INIZCTEOSA-N 367.276 4.082 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1n[nH]c2ccccc12 6370811 WYHBTPKHKSGXBF-AWEZNQCLSA-N 365.433 4.179 0 40 FIAB O=C1/C(=C/Nc2ccc(F)cc2)c2ccccc2C(=O)N1c1ccccc1 6454570 DVMFQOFATGPATG-XSFVSMFZSA-N 358.372 4.466 0 40 FIAB Cc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 6915253 OPAWZNWTLNXIEC-LBPRGKRZSA-N 366.244 4.336 0 40 FIAB O=C(CCSCc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 7523524 MLYYKPKBNFXMPI-UHFFFAOYSA-N 354.475 4.075 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)/C=C/c2ccc(OC)c(F)c2)cc1 7829031 NMUUILLKVRWKQK-ACCUITESSA-N 370.468 4.006 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCCO2 8124272 JRGJICKAOTZPNA-NRFANRHFSA-N 362.429 4.133 0 40 FIAB CCOc1ccc(NS(=O)(=O)c2cc(C(C)C)ccc2OCC)cc1 8132514 HJMYHIMQYYGNOE-UHFFFAOYSA-N 363.479 4.408 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 8331190 FTXOVPPWISLIIQ-UHFFFAOYSA-N 371.483 4.379 0 40 FIAB O=C(CCCc1ccccc1)N1CCc2n[nH]c(-c3ccc(F)cc3)c2C1 8996959 SFNQBFYWWMGJQG-UHFFFAOYSA-N 363.436 4.123 0 40 FIAB COc1ccccc1[C@H]1CC(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)c21 9015352 SDSIAXSATRQOQE-CQSZACIVSA-N 353.809 4.213 0 40 FIAB O=C1CSc2ccc(C(=O)OCc3cccc(C(F)(F)F)c3)cc2N1 9448735 VDHUNNWYQZPASZ-UHFFFAOYSA-N 367.348 4.107 0 40 FIAB NC(=O)c1oc2ccccc2c1NC(=O)CCCSc1ccc(F)cc1 10218118 FVUIOBYVIVQWAG-UHFFFAOYSA-N 372.421 4.182 0 40 FIAB COc1ccc(-c2cn3c(C(=O)Nc4cccc(C)n4)csc3n2)cc1 11902225 QGWBAVFWVNSMND-UHFFFAOYSA-N 364.430 4.027 0 40 FIAB CCc1sc(NC(=O)c2cnc(SC)nc2)nc1-c1ccc(F)cc1 12191848 WPBDYFUITPPXDY-UHFFFAOYSA-N 374.466 4.276 0 40 FIAB CCCSc1nc2ccccc2n1CC(=O)N1CCc2ccccc2C1 12520340 YUBKTRXUHODMNY-UHFFFAOYSA-N 365.502 4.123 0 40 FIAB C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)o1 12548921 AAJZWZQNSMYFRB-DOTOQJQBSA-N 372.896 4.338 0 40 FIAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccccc1N1CCCCC1 12555261 SPRJARZWROYBAS-GOSISDBHSA-N 351.494 4.136 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cnn(-c2ccccc2)c1 12864891 STNOEZKEZHYXRG-HNNXBMFYSA-N 373.412 4.090 0 40 FIAB CCCn1c(=O)n(CCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 12894138 UTWPZNIRHACEAZ-UHFFFAOYSA-N 365.477 4.167 0 40 FIAB O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc(Cl)o1 12923610 UKYJBLVBZSYBMZ-UHFFFAOYSA-N 359.838 4.205 0 40 FIAB CC(=O)O[C@@H](CCCCCCCCC[C@H](C)O)Cc1cc(O)cc(O)c1 14772411 XPDBYTRMUWQPTF-KKSFZXQISA-N 366.498 4.464 0 40 FIAB biogenic,in-vitro C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C(F)(F)F)c1 14790053 DDKXHJKNXQJUBJ-NSHDSACASA-N 357.759 4.443 0 40 FIAB CC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)C2CCCC2)cc1 19018100 YVPKRGMFLYDDBJ-HXUWFJFHSA-N 368.502 4.371 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1 20049527 QVZRELUWXGJHTK-UXHICEINSA-N 357.450 4.129 0 40 FIAB O=C(NCc1ccccn1)c1ccccc1Nc1ccc(OC(F)F)cc1 20958885 HGQZQBAHAYACEE-UHFFFAOYSA-N 369.371 4.357 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCCC1)C1CCOCC1 21975691 ZDBZLWSDLNTQHU-UHFFFAOYSA-N 370.415 4.451 0 40 FIAB C[C@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 24989616 QMMLGSKCWJTUHD-TVQRCGJNSA-N 356.369 4.227 0 40 FIAB CCOc1cc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OC 26946704 PQFSHEBZULCTGU-FNORWQNLSA-N 355.478 4.192 0 40 FIAB Cc1nc(COc2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cs1 27447842 ASRBIZBMDBYDTA-UHFFFAOYSA-N 372.475 4.012 0 40 FIAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)c(C)c2)cc1 27664657 UKFSABHHANQBIL-UHFFFAOYSA-N 367.405 4.095 0 40 FIAB CC(C)[C@@H](Sc1nncs1)C(=O)Nc1ccccc1C(F)(F)F 32325819 ARTDNYYENSBDFU-LLVKDONJSA-N 361.414 4.312 0 40 FIAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccs1 32610167 RPQKFIANIYMOOP-UHFFFAOYSA-N 363.389 4.128 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 32794795 DAWMAWFTEMNFTH-KRWDZBQOSA-N 374.488 4.383 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1F)N1CCC(CCc2ccc(O)cc2)CC1 32906844 PNYSBOOYXWFJMZ-INIZCTEOSA-N 370.468 4.203 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)Cc2ccco2)o1 32976342 PVSQBCNVEOCBJQ-UHFFFAOYSA-N 361.401 4.306 0 40 FIAB Cc1ccc(C(=O)NC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 35311811 HKFNHVKWMPMXPA-UHFFFAOYSA-N 371.868 4.075 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1 35313267 NDXMXOBDWKITHS-UHFFFAOYSA-N 350.469 4.275 0 40 FIAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Nc1c(C)nn(-c2ccccc2)c1C 36396537 DROLCUYBVAGJBM-SJLPKXTDSA-N 354.498 4.081 0 40 FIAB C[C@H](NC(=O)CN1CCC[C@H](C(F)(F)F)C1)c1ccc2ccccc2c1 36476280 ZWDXIWSFKJZMHE-KSSFIOAISA-N 364.411 4.291 0 40 FIAB COC(=O)c1cccc(NC(=O)Cc2ccc(-c3csc(C)n3)cc2)c1 40073583 MIITXHWXSPLSAN-UHFFFAOYSA-N 366.442 4.086 0 40 FIAB CC(C)c1nc2ccc(NC(=O)c3ccc4c(c3)OCCCO4)cc2[nH]1 40267685 WCBVPPSSKIXMOE-UHFFFAOYSA-N 351.406 4.100 0 40 FIAB CCOCCOCc1cccc(NC(=O)N2CCC[C@@H]2c2ccncc2)c1 47605151 GBKGUIXGMWWPHD-HXUWFJFHSA-N 369.465 4.004 0 40 FIAB C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)NCc1ccccc1 48354913 NVGMTPSHOLEPON-GFCCVEGCSA-N 359.882 4.024 0 40 FIAB Cc1noc(C)c1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccc1 49545422 AFQVZUIZWFDSID-KRWDZBQOSA-N 354.435 4.210 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CNC(c2ccccc2)c2ccccc2)c1C 57392122 UAUZMDRDSGNLLN-UHFFFAOYSA-N 360.457 4.396 0 40 FIAB O=C(Nc1ccccc1N1CCCCCC1)N1CCC[C@@H](N2CCCC2)C1 57940716 RHTWNPZPZPSNGP-LJQANCHMSA-N 370.541 4.159 0 40 FIAB COc1cc(C(=O)N(C2CC2)[C@@H](C)c2ccccn2)ccc1OC(C)C 58223461 RYNPZDFGBROTIU-HNNXBMFYSA-N 354.450 4.243 0 40 FIAB COc1ccc(-c2cnc(COC(=O)c3cn(C)c4ccccc34)o2)cc1 65633600 VWQXAJJKTBQCPO-UHFFFAOYSA-N 362.385 4.199 0 40 FIAB Fc1cccc([C@@H]2CN(Cc3nc(-c4cccc(Cl)c4)no3)CCO2)c1 66848775 WMJMTCZMLVNUDY-KRWDZBQOSA-N 373.815 4.103 0 40 FIAB CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 71256222 BMSUIVADKSNOPL-UHFFFAOYSA-N 364.795 4.416 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NC[C@@H](CCO)c1ccccc1 79066945 NCNRGHOHZICQIB-MRXNPFEDSA-N 363.910 4.105 0 40 FIAB CC(C)n1ccc2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)ccc21 79492619 YYPKROHYETWYDZ-UHFFFAOYSA-N 359.433 4.114 0 40 FIAB C[C@@H](Nc1nc(-c2cccs2)nc2ccccc12)C(=O)NC1CCCC1 83966738 FUXHHQAGOFYERW-CYBMUJFWSA-N 366.490 4.218 0 40 FIAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCC1CCCCCCC1 84459325 FKQPJBSQWXDVTI-UHFFFAOYSA-N 364.873 4.115 0 40 FIAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(C(F)(F)F)cc1 95473410 PYRAQPIWKWVDOX-ZDUSSCGKSA-N 371.384 4.200 0 40 FIAB CN(C(=O)c1ccc(-n2cccc2)c(F)c1)c1ccc(Br)nc1 173113245 FWRDHBRIMFGZGD-UHFFFAOYSA-N 374.213 4.051 0 40 FIAB COc1ccc(CNC(=O)N2CCS[C@@H](c3ccccc3)CC2)cc1 211144744 YWLRLNVCARRECZ-LJQANCHMSA-N 356.491 4.085 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)COc2cccc3c2CCCC3)cc1C 222550631 MNMLOFHEMILBLC-SFHVURJKSA-N 367.489 4.145 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C)cc1C)CC(C)(C)O2 222829448 YWXLPDMVDSEQAM-SFHVURJKSA-N 369.461 4.109 0 40 FIAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)CCc2ccccc2)c1C 225514918 KRMVULFMZFMUCR-OAHLLOKOSA-N 370.518 4.479 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 225740429 XRLTVTKVWLYYIQ-UHFFFAOYSA-N 352.478 4.405 0 40 FIAB Cc1ccc(CCCC(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)s1 257173302 JCQNWUAEBVPNMU-UHFFFAOYSA-N 358.463 4.127 0 40 FIAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 408667994 QRRIDBSLJPBMOS-FUHWJXTLSA-N 365.473 4.499 0 40 FIAB Cc1cc(C(=O)N2N=C3CC[C@H](C)C[C@@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 409179161 POGFEXBPRFRREM-RVIYUIFMSA-N 374.790 4.147 0 40 FIAB CCCn1c(C)c(C(=O)N2CC[C@]3(CCCOC3)C2)c2cc(OC)ccc21 585081175 LITHCAOZTGUIKR-JOCHJYFZSA-N 370.493 4.011 0 40 FIAB CCn1cc([C@@H]2OCC[C@H]2CN2CC3(CCC3)[C@@H]2c2ccccc2)cn1 668192323 ZWKGJHOATIXQRL-TYPHKJRUSA-N 351.494 4.208 0 40 FIAB CCc1ccc2occ(C(=O)N3CCCC[C@@H]3c3noc(CC)n3)c2c1 671732918 WDZPEQZRMTXZGO-MRXNPFEDSA-N 353.422 4.308 0 40 FIAB CCN(CC)C(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 911984 VYIPWLJLPWWILK-UHFFFAOYSA-N 359.476 4.092 0 40 FIAB COc1ccc(/C=C/C(=O)Oc2ccc(Br)cc2)c(OC)c1 936436 NLKRGILKOYCQGM-ONNFQVAWSA-N 363.207 4.085 0 40 FIAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CN2CCCCC2)cc1 938477 FSLBETMIUNCTHO-FQEVSTJZSA-N 364.489 4.164 0 40 FIAB O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(F)cc1 1383889 PVDIVHYXIYMSED-UHFFFAOYSA-N 363.436 4.088 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 1459934 GIVHFVMVMNYLLA-KRWDZBQOSA-N 366.461 4.028 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 1459935 GIVHFVMVMNYLLA-QGZVFWFLSA-N 366.461 4.028 0 40 FIAB CCOc1ccc([C@H]2CC(=O)n3nc(-c4ccccc4)nc3S2)cc1 1468038 OBGGRJMEZBTICY-MRXNPFEDSA-N 351.431 4.221 0 40 FIAB O=c1c(-c2ccccc2)nc2ccccc2n1C[C@@H]1CCCN2CCCC[C@H]12 1612206 GOPUAIKZERGFBM-PZJWPPBQSA-N 373.500 4.328 0 40 FIAB CCCCNC(=O)c1ccccc1-c1ccccc1C(=O)NCCCC 1705605 ZAKQMMHOFUOFGL-UHFFFAOYSA-N 352.478 4.413 0 40 FIAB COc1ccc(Cn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1 2257228 UDJCUFGKDFTHND-UHFFFAOYSA-N 356.385 4.296 0 40 FIAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)c1ccc(F)cc1 2263598 DRTHNJFZZXUKSG-UHFFFAOYSA-N 366.388 4.463 0 40 FIAB CCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 2414437 IDWXOFFKXNNGGD-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2cc(C)cc(C)c2)c1C 2713254 RIKGTNARTNACTN-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB Cc1nn(-c2ccccc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 2733873 NMPJTOBHVKFXEA-UHFFFAOYSA-N 357.339 4.148 0 40 FIAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3OC)sc1CC2 3651736 VDDYMFQLXMPHJY-UHFFFAOYSA-N 366.442 4.178 0 40 FIAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 3900023 WTMDCHNWHQABOS-WXRFYESLSA-N 351.402 4.164 0 40 FIAB COc1ccccc1-c1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 4087703 MEFQMNFUFJXKLP-UHFFFAOYSA-N 369.446 4.253 0 40 FIAB O=C(Cc1ccc(Cl)cc1)N1CCN=C1SCc1ccccc1F 4120561 CDFPBTPWXAZFBJ-UHFFFAOYSA-N 362.857 4.153 0 40 FIAB COc1ccc(-c2c(C)c3ccc(OC(=O)C(C)C)cc3oc2=O)cc1 4340128 BSUHAYKMDYGTSK-UHFFFAOYSA-N 352.386 4.338 0 40 FIAB biogenic CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC[C@@H](O)CO 4411084 RVNAQNUKCZKJCP-UXHICEINSA-N 374.562 4.115 0 40 FIAB biogenic CCSc1ccccc1C(=O)NCCc1c[nH]c2ccc(OC)cc12 4777227 JCGQDHQGUZBNKE-UHFFFAOYSA-N 354.475 4.261 0 40 FIAB COc1ccc2c(c1)[C@]1(C)CCCc3c(O)c(-c4ccccc4)c(=O)n-2c31 5433411 VAONZJWVEWYLQU-QHCPKHFHSA-N 359.425 4.174 0 40 FIAB Cc1sc2nc(CSc3ccc4ccccc4n3)[nH]c(=O)c2c1C 5627000 ZUOKRLFJBLZLIE-UHFFFAOYSA-N 353.472 4.442 0 40 FIAB CC[C@@H]1CCc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 6248767 OLKPNDLVXGCBFL-OAHLLOKOSA-N 370.518 4.352 0 40 FIAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccccc1Cl 6548321 SAPOTWODSBUZEE-UHFFFAOYSA-N 373.909 4.063 0 40 FIAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(OC[C@H]2CCCO2)cc1 6852746 UUZOZQAYZVYOCK-MJGOQNOKSA-N 369.486 4.211 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 6948992 OIHQLHMWWPWYKQ-UHFFFAOYSA-N 373.623 4.146 0 40 FIAB COc1ccc(NC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 7318752 RSGPPVFPDWFAIG-UHFFFAOYSA-N 373.412 4.174 0 40 FIAB S=c1[nH]ncn1NCc1c(OCc2ccccc2)ccc2ccccc12 7602546 XSLQCKDAEIXUDZ-UHFFFAOYSA-N 362.458 4.417 0 40 FIAB CN(C(=O)CSCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1 7849228 QKAMMIZDHSTVIG-UHFFFAOYSA-N 363.866 4.007 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1cccnc1 7988202 KCCCPTBFDRVBGC-OAHLLOKOSA-N 374.469 4.487 0 40 FIAB COc1cc(OC)cc(-c2nnc(SCc3nc4ccccc4o3)o2)c1 8365935 LEJCCVUPOQDXNF-UHFFFAOYSA-N 369.402 4.187 0 40 FIAB CC(C)c1nnc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)s1 9304897 JANWOAPKLMKSIU-UHFFFAOYSA-N 368.462 4.448 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccc(F)cc2)CCCC1 9616677 KVDXDLZETXWZDX-UHFFFAOYSA-N 368.452 4.113 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1 10156045 BRDBQQQWVMSBJB-ROUUACIJSA-N 369.461 4.267 0 40 FIAB COc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 10292387 UBPYMWZAEPZGGO-CYBMUJFWSA-N 365.882 4.024 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 10544155 DJUHDPHKQZPMQH-KRWDZBQOSA-N 359.491 4.193 0 40 FIAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc2c(c1)OCO2 11246706 GATNEWLKWOQZCK-UHFFFAOYSA-N 370.792 4.295 0 40 FIAB O=C(Nc1ccc(CNc2ncnc3ccsc23)cc1)c1ccco1 11607796 SRBBWHLPXXFNKE-UHFFFAOYSA-N 350.403 4.149 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1 12534361 FRCRJNYORAMQLC-UHFFFAOYSA-N 367.474 4.206 0 40 FIAB O=c1c2ccccc2nc(/C=C/c2cccc(O)c2)n1-c1ccc(F)cc1 12768489 YZUVTSVGSOHHHD-MDWZMJQESA-N 358.372 4.401 0 40 FIAB Cc1cc(C(=O)N[C@@H](c2ccccc2)C2CC2)c2nc3n(c2n1)CCCCC3 12773668 AKUMAVCIUSSDTB-FQEVSTJZSA-N 374.488 4.347 0 40 FIAB CC(C)c1ccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc1 12784575 OLHQQHRENIUZOU-UHFFFAOYSA-N 360.461 4.240 0 40 FIAB COC(=O)c1c(NC(=O)CN[C@@H](C)c2cc(C)ccc2C)sc(C)c1C 12849576 XEVXLSKTDGQWIS-AWEZNQCLSA-N 374.506 4.058 0 40 FIAB O=C(c1cccs1)N1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 13140208 WYSKVKOLVZYRPG-ILZDJORESA-N 359.466 4.396 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccco1 14168774 OVQACWMJDMDTEF-LBPRGKRZSA-N 374.441 4.125 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 20048576 DHEOWJBTQZPHQC-XLIONFOSSA-N 371.477 4.053 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20141183 TVORNWZMCYQUJM-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB Cc1cnc2c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cccc2c1 23371164 MMAARCVMDYTZAR-UHFFFAOYSA-N 366.364 4.363 0 40 FIAB c1ccc2c(CN3CCN(c4ncnc5sccc45)CC3)cccc2c1 23908769 BAKARIGMLLHMJQ-UHFFFAOYSA-N 360.486 4.167 0 40 FIAB CC(=O)c1ccc(SCC(=O)Nc2cccc3cccnc23)c(F)c1 24018216 HYXWXHIOLAJOAS-UHFFFAOYSA-N 354.406 4.307 0 40 FIAB O=C(CCc1ccsc1)N1CCN(Cc2cccc3ccccc23)CC1 24317032 NUFIOJGIMPWCJA-UHFFFAOYSA-N 364.514 4.178 0 40 FIAB COc1ccc2nc(C(=O)N[C@@H](c3ccccc3)c3ccccn3)ccc2c1 24884846 OPFUMUXWXUDNCD-QFIPXVFZSA-N 369.424 4.158 0 40 FIAB CCCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 27738207 JJHNJUTYDREDIE-UHFFFAOYSA-N 366.870 4.270 0 40 FIAB CCn1c(SCCOc2ccc(Cl)cc2)nc2ccsc2c1=O 27821425 FBUVVSVJPFYZCC-UHFFFAOYSA-N 366.895 4.302 0 40 FIAB Cc1ccccc1-c1noc(CSCC(=O)N[C@H](C)c2ccccc2)n1 31422969 PFHZJZNVQSLZOM-OAHLLOKOSA-N 367.474 4.156 0 40 FIAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCc2ccccc21 32738462 NUACCICQWAAUME-ZDUSSCGKSA-N 364.367 4.365 0 40 FIAB CN(C)C1(CNC(=O)CCc2ncc(-c3ccccc3)o2)CCCCCC1 40042905 DRTQEXOKPZWAQG-UHFFFAOYSA-N 369.509 4.045 0 40 FIAB Cc1cc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)c(C)s1 40080829 KLYJAOHWRPASOH-NWDGAFQWSA-N 364.898 4.014 0 40 FIAB c1ccc(-n2ncc(CN(Cc3ccco3)Cc3cccs3)n2)cc1 40105325 QXXKNMFKGNAKDE-UHFFFAOYSA-N 350.447 4.124 0 40 FIAB CCC(=O)NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 40108575 WXYWQDZGCOLHCT-QGZVFWFLSA-N 360.548 4.096 0 40 FIAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCc4ccco4)ccc32)cc1 46078524 AFSKYTWHQRZIJQ-UHFFFAOYSA-N 374.440 4.111 0 40 FIAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 48990258 GMHQANIHXQUQSG-UHFFFAOYSA-N 361.353 4.033 0 40 FIAB CC[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(OC)cc1 58118041 RMRWGFMHIPJBOU-HNNXBMFYSA-N 371.462 4.007 0 40 FIAB Cc1ccc(-c2nc(CN(C)Cc3ccc4c(c3)OCCO4)cs2)o1 58277473 UIUZBUSFCQFVDG-UHFFFAOYSA-N 356.447 4.115 0 40 FIAB O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)nn1-c1ccccc1 64949528 BHVZWSUAVLKOGR-UHFFFAOYSA-N 366.380 4.103 0 40 FIAB Oc1ccc(CCC2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 65490809 PGNYLQRLTVHOHI-UHFFFAOYSA-N 351.372 4.050 0 40 FIAB CC[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1OC(F)F 72286561 FEIJVBZICMVJEZ-OAHLLOKOSA-N 361.454 4.239 0 40 FIAB Cc1nccn1-c1cccc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72379076 XZEPMABWLHHPLK-SFHVURJKSA-N 350.441 4.094 0 40 FIAB CC(C)c1n[nH]c(-c2ccccc2NC(=O)CCc2nc3ccccc3[nH]2)n1 72404513 LZHHXCQIWLKUIT-UHFFFAOYSA-N 374.448 4.043 0 40 FIAB Cn1nc(-c2cccs2)cc1C(=O)Nc1nnc(C2CCCCC2)s1 72405059 JZGXUEACEJTEEE-UHFFFAOYSA-N 373.507 4.300 0 40 FIAB CCc1nc(C)sc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(OC)c1 72405135 OFRXHDLZNZSSBO-UHFFFAOYSA-N 370.478 4.077 0 40 FIAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1scnc1C1CC1 89738438 CGFLYMMHJWYTDV-UHFFFAOYSA-N 355.385 4.358 0 40 FIAB CCN(C(=O)COC(=O)c1csc2c1CC[C@@H](C)C2)c1ccccc1C 89977059 COBHUQLFBIRCFF-CQSZACIVSA-N 371.502 4.391 0 40 FIAB O=Cc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1Br 95081075 IHDUOQWAXSMJNQ-UHFFFAOYSA-N 351.040 4.134 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)n1 104118601 KRLUYWTXUUIGGD-XJOINEQPSA-N 371.506 4.225 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1ccccc1 115168976 HWHWSHBDTNTECZ-UHFFFAOYSA-N 369.408 4.134 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)n1cc(C(=O)OC)c2ccccc21 222627086 SKRXOZVJGROPSJ-KRWDZBQOSA-N 355.365 4.065 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)CCc1ccccc1 223694979 ZIDIFRXWJKQBRA-MSOLQXFVSA-N 351.490 4.470 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535048 KGMATIBSKLJLHL-QFIPXVFZSA-N 366.505 4.146 0 40 FIAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c(OC)c1 225575915 WNTTWCRBCRGCNU-MRXNPFEDSA-N 372.490 4.293 0 40 FIAB CCc1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 225610771 XLOKRRMKDBBRFG-UHFFFAOYSA-N 351.490 4.046 0 40 FIAB COc1cccc2cc(C(=O)NCc3cccnc3-c3cccs3)oc12 225759831 JMOKJJHOHMHKLZ-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(C)c(C)c3)n2)cc1 225815859 IOWVCFOGDLYOHV-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225838607 DBRZMXAHGNGLAG-FQEVSTJZSA-N 365.470 4.042 0 40 FIAB COc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cc1Cl 225921854 XUPRJJICDLRQME-UHFFFAOYSA-N 367.854 4.101 0 40 FIAB Cc1cc(OCC(=O)Nc2cc(C)c3nc(N)sc3c2)ccc1Cl 226312152 UESDUFYYIPMBFU-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB O=C(Nc1ncccc1OCC1CCCCC1)c1noc2c1CCCC2 328752124 RHDPGZVLJFDQIK-UHFFFAOYSA-N 355.438 4.160 0 40 FIAB Cc1cc(N2CCC(N[C@@H](C)c3cccc(-c4ccncc4)c3)CC2)n[nH]1 527372724 JNDHZSBBFGDSLW-KRWDZBQOSA-N 361.493 4.100 0 40 FIAB CC(=O)N1CCc2c(NC(=O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cccc21 545306114 AZQRXNCDDYDCDD-LUQKVYGDSA-N 372.509 4.012 0 40 FIAB CCc1ccc(-c2nc(C)c(C(=O)N3CC[C@]4(CCCOC4)C3)s2)cc1 585081153 DHMAGPTZRACAHZ-OAQYLSRUSA-N 370.518 4.324 0 40 FIAB CC1(C)CN(C(=O)c2cn(-c3ccccc3Cl)nn2)[C@@H]1c1ccccc1 621912093 KFZRUNBREREYAG-GOSISDBHSA-N 366.852 4.144 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966500 HWEHHUMRDDVRHJ-LJQANCHMSA-N 371.889 4.461 0 40 FIAB Cc1nc(C)c(CN2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)s1 1888843383 HIGPQNZZNVWPIC-GJZGRUSLSA-N 359.543 4.017 0 40 FIAB CCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)c(OCC)c1 705684 GFJQXQRQFPHDJD-PDGQHHTCSA-N 351.402 4.137 0 40 FIAB CC(=O)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 725876 HDNBINXAYZZYDS-VIFPVBQESA-N 350.460 4.238 0 40 FIAB CC(=O)Oc1cc2c(C(=O)N3CCCCC3)c(C)oc2c2ccccc12 1236049 OZLLNIYTVCMAIS-UHFFFAOYSA-N 351.402 4.446 0 40 FIAB CCc1ccc2nc3sc(C(=O)N4CCC[C@@H](C)C4)c(N)c3cc2c1 1342787 RBQLNMLHLPVWFG-GFCCVEGCSA-N 353.491 4.466 0 40 FIAB Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 1609262 LPONBKDMLVAGKO-UHFFFAOYSA-N 365.234 4.432 0 40 FIAB CCCCCn1c(C)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 1834487 NDLHSVNZQFBENM-UHFFFAOYSA-N 371.506 4.356 0 40 FIAB Cc1nc2sc3c(NCC(C)C)ncnc3c2c2c1COC(C)(C)C2 2292093 YDNMEVZQYBAWII-UHFFFAOYSA-N 356.495 4.467 0 40 FIAB C[C@H]1C[C@H](C)CN(c2ncnc3c2[nH]c2ccc(Br)cc23)C1 2359333 FENJOPCRPSRKTO-QWRGUYRKSA-N 359.271 4.356 0 40 FIAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)C(C)(C)C)nc3C2)cc1 2398900 XCBXQWASZOQBBF-MRXNPFEDSA-N 365.477 4.497 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1 2440907 QVWFOJGCSKWYST-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1Cl 2722878 HIKVDXKXOSQWQA-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c(OC)c1 2915381 DFEGEERILWPTDS-IAGOWNOFSA-N 370.840 4.095 0 40 FIAB CCOC(=O)[C@@H](Cc1ccccc1)c1ccnn1-c1ccc(F)cc1F 4091969 FOWFWBOSQRRNHK-INIZCTEOSA-N 356.372 4.040 0 40 FIAB CCCCCCc1cc2cc(C(=O)Nc3ccccn3)c(=O)oc2cc1O 4550406 PWHCTKCZCWTWQA-UHFFFAOYSA-N 366.417 4.269 0 40 FIAB O=S(=O)(Nc1ccccc1)[C@H](Nc1ccccc1)c1ccccc1F 4863392 LMWGKVOPQUUVPR-IBGZPJMESA-N 356.422 4.378 0 40 FIAB O=S(=O)(NCCCCc1ccccc1)c1cc(Cl)ccc1Cl 5682615 HZKQOFFVDUVIRP-UHFFFAOYSA-N 358.290 4.295 0 40 FIAB CCCCCn1c(O)c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 5736222 YMUIXYNGXVSRNO-UHFFFAOYSA-N 364.445 4.458 0 40 FIAB COc1ccc(OCCn2cc(C=O)c3cc(Br)ccc32)cc1 6296617 KNDCEICPSCBFIW-UHFFFAOYSA-N 374.234 4.304 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccco1 6356619 FSLHSJYAWBBZTI-UHFFFAOYSA-N 370.478 4.412 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)CCc3ccccc3)c2cc1Cl 6375353 IVVOTNJQWPSREM-UHFFFAOYSA-N 356.805 4.431 0 40 FIAB Cc1cc(-c2ccc(/C=C3\SC(=O)N(C)C3=O)o2)c([N+](=O)[O-])cc1C 6456238 ULVSYGDQSIDTOM-NVNXTCNLSA-N 358.375 4.138 0 40 FIAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)C1CCCCC1 6654294 RUGYWFYWWYEIJC-UHFFFAOYSA-N 358.482 4.321 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1 6790160 AVNJWKXCJLGARW-UHFFFAOYSA-N 368.458 4.434 0 40 FIAB CCCNc1c(NC(=O)c2c(F)cccc2F)c(=O)oc2ccccc12 6826632 KPPRQUHGHJOCIO-UHFFFAOYSA-N 358.344 4.145 0 40 FIAB CCCCn1nnnc1NCc1ccccc1OCc1ccc(Cl)cc1 7262214 PUDKORYBAFRSLU-UHFFFAOYSA-N 371.872 4.318 0 40 FIAB O=C(COc1ccccc1-c1ccccc1)Nc1nnc(C2CC2)s1 7407512 GVRGOGSMDKHAAX-UHFFFAOYSA-N 351.431 4.100 0 40 FIAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1ccc(CN2CCCC2)cc1 7443169 YLUJEXGWJSLLJP-LJQANCHMSA-N 369.534 4.120 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 7928344 OIEUVZFCBFUKGQ-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COc1ccc2ccccc2c1 7984613 SSWYUZDSMCPMSU-CYBMUJFWSA-N 351.368 4.408 0 40 FIAB CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1 8106127 XSZBCIOPIBKAAF-UHFFFAOYSA-N 354.269 4.121 0 40 FIAB Cc1c(C(=O)OCc2nnc(-c3ccco3)o2)oc2c(Cl)cccc12 8326984 QJIOZBXFYHBYQT-UHFFFAOYSA-N 358.737 4.395 0 40 FIAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccc(-n2ccnc2)cc1 8345305 WLFWOAZVBBIMFQ-QGZVFWFLSA-N 359.473 4.171 0 40 FIAB CCc1ccccc1NC(=O)CN(C)C(=O)c1cc2ccccc2s1 9077039 CJEOLZZYGGSXEK-UHFFFAOYSA-N 352.459 4.174 0 40 FIAB CC(C)[C@H]1C[C@@](CC(=O)NCc2cccnc2)(Cc2ccccc2)CCO1 9423755 ZLVSCYXXHREPGG-GGAORHGYSA-N 366.505 4.152 0 40 FIAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cncc(Br)c1 9642219 MIMWOWWXJNBBMB-OAHLLOKOSA-N 365.658 4.379 0 40 FIAB COc1ccc2cc(CN(C)C(=O)c3ccc(NC(C)=O)s3)ccc2c1 10297164 FXBQAIKNOILAIW-UHFFFAOYSA-N 368.458 4.141 0 40 FIAB O=C1N(c2cccc3ccccc23)c2ccccc2[C@@]1(O)Cc1ccncc1 12360372 HBUWDTDTTFQNHV-DEOSSOPVSA-N 366.420 4.343 0 40 FIAB Cc1ccc(C)c(COC(=O)c2nnn(-c3ccc(Cl)cc3)c2C)c1 12415635 KCXKLPLKFQJJIV-UHFFFAOYSA-N 355.825 4.203 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccco3)c2n1 12510482 ZNGBGXDOBCZSTO-UHFFFAOYSA-N 365.216 4.138 0 40 FIAB CSCC[C@H](NC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 12541034 PFHJUVVPHGDHJZ-KRWDZBQOSA-N 373.909 4.369 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12757705 JQJNRTCWTUGESR-NSHDSACASA-N 361.800 4.495 0 40 FIAB Cc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)c2c(C)nn(C)c2n1 12781876 HLHPYXUWLDZUQX-ZDUSSCGKSA-N 366.490 4.116 0 40 FIAB COc1ccc(CC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1C 13971636 TVQZKHZZBFKHCT-UHFFFAOYSA-N 364.470 4.407 0 40 FIAB O=C(OCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1Cl 16838677 HFXPRDPVIHYOSV-UHFFFAOYSA-N 357.749 4.081 0 40 FIAB COc1ccccc1[C@H]1SCC(=O)N1c1ccc(C(F)(F)F)cc1 17198177 GCDFZMJBYUSEOC-MRXNPFEDSA-N 353.365 4.493 0 40 FIAB COc1cc(CN(C)C(=O)Nc2ccc(F)cc2)ccc1OC(F)F 18173660 FUNCCXCQNXRSQS-UHFFFAOYSA-N 354.328 4.100 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 21818129 KKNIILLTSUNGOY-GJZGRUSLSA-N 354.450 4.410 0 40 FIAB CCC[C@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccccc1 23703006 SARQVBDMKGGFRA-NRFANRHFSA-N 352.478 4.041 0 40 FIAB COc1ccc(C(C)=O)cc1CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C 24761800 WIMMNUDFPRBRDK-JOCHJYFZSA-N 369.461 4.156 0 40 FIAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1ccccc1Cl 24988412 FQEDTWXCIIOEHK-UHFFFAOYSA-N 361.806 4.295 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N2CCCCCC2)cc1 27793230 BCLDRCXKVCLZJW-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB biogenic C[C@H]1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCO1 29790141 NDGVRGYFEATQIF-ZDUSSCGKSA-N 365.351 4.359 0 40 FIAB CCCCC(=O)N(Cc1nnc2c3ccccc3c(C)nn12)c1ccccc1 32581197 BGRJXDCXFHZAEB-UHFFFAOYSA-N 373.460 4.309 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccc(F)c1 32729108 AJKVBORJGPJCEO-INIZCTEOSA-N 360.429 4.212 0 40 FIAB COc1cc(CCC(=O)Nc2nc3c(s2)CCCCC3)cc(OC)c1 32885738 LDJUGLVCIVSEOR-UHFFFAOYSA-N 360.479 4.001 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 32992723 QDRAZEUBRNLJDA-RMKNXTFCSA-N 356.853 4.137 0 40 FIAB Cn1ncc2c(C(=O)Nc3ccc(F)cc3F)cc(-c3ccccc3)nc21 36616938 LJECBSAUAIWFTA-UHFFFAOYSA-N 364.355 4.166 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)OCCCO2 39973628 QDAHJKJUGHTHPO-UHFFFAOYSA-N 351.855 4.225 0 40 FIAB CC(C)C[C@H](C)N(C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1 40068493 VAXFWFIRDVRFGE-KRWDZBQOSA-N 365.477 4.420 0 40 FIAB CC(C)Sc1ncccc1C(=O)N(C)Cc1ccc(OC(F)F)cc1 40120188 JRSLZTGSPPGXPN-UHFFFAOYSA-N 366.433 4.456 0 40 FIAB CN(C(=O)/C=C/c1cccc(Cl)c1)c1ccc(Br)cn1 40139061 HRZWKFIDARSCMM-VMPITWQZSA-N 351.631 4.174 0 40 FIAB CC(C)CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46079030 BPFNDKAYGYURAT-UHFFFAOYSA-N 368.452 4.195 0 40 FIAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 46086385 XOLOFNQTZRRFRZ-UHFFFAOYSA-N 368.389 4.010 0 40 FIAB CCc1ccc(-c2noc(-c3cn(CC)c4ccc(F)cc4c3=O)n2)cc1 64963723 ONNUQYPYVOGQOP-UHFFFAOYSA-N 363.392 4.440 0 40 FIAB COc1ccc(-c2noc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)cc1 72369922 LETVPFMJNXEBHV-INIZCTEOSA-N 369.852 4.388 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccccc2C)c(C)cc1Br 72414152 QRDQYLGARHPIRV-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB COc1cc(-c2nccn2[C@H]2CCCN(Cc3cccs3)C2)ccc1O 77321359 OCHLYPKTVNXMRD-INIZCTEOSA-N 369.490 4.163 0 40 FIAB CCOc1cc(C=O)ccc1OCc1nc(-c2cc(C)ccc2C)no1 89263004 NSJBGXSAXBMFLD-UHFFFAOYSA-N 352.390 4.144 0 40 FIAB C[C@@H](NC(=O)CN(Cc1cccnc1)C1CC1)c1ccc2ccccc2c1 89905124 IGNFKGKYONHDGY-QGZVFWFLSA-N 359.473 4.077 0 40 FIAB CC(C)(C)n1ncc(N[C@@H]2CCCOc3ccc(F)cc32)c(Cl)c1=O 95957206 KUOPPWFUQARTCW-CYBMUJFWSA-N 365.836 4.117 0 40 FIAB Cc1cc(C(=O)CSc2nccn2Cc2ccccn2)cc(C)c1F 95961166 AJIVDBZULZDFKB-UHFFFAOYSA-N 355.438 4.057 0 40 FIAB COC(=O)N1CCc2ccc(NC(=O)Nc3ccccc3Cl)cc2C1 96096289 BRQBROSTQNVZJR-UHFFFAOYSA-N 359.813 4.109 0 40 FIAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 96137264 IMNWCIHIRUDTRY-NTCAYCPXSA-N 364.470 4.393 0 40 FIAB O=C(c1ccncc1)N1CCC[C@@]2(CCCN2Cc2ccc(Cl)cc2)C1 96214606 SMESZIZIHBFYRB-OAQYLSRUSA-N 369.896 4.006 0 40 FIAB CCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccc1 97133872 LFMBJSJCGADBAB-BIKOHHLGSA-N 355.478 4.203 0 40 FIAB CCOC(=O)N1CCC(N(C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 108157376 WSVFEFZCVUBJEG-GJZGRUSLSA-N 352.906 4.385 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 169582021 CNGQJVMHHHMAQF-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C)cc1 218972564 ARCUEGJUDVFCRX-SFHVURJKSA-N 355.478 4.300 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222711751 HVXDUMZWVSSQHE-LPHOPBHVSA-N 369.461 4.109 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(CC)cc1 222886416 XXQBNOYOJHVDIB-FQEVSTJZSA-N 368.477 4.185 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 223227321 XSNLRZJZERYTQT-BEFAXECRSA-N 353.462 4.219 0 40 FIAB Cc1ccc(SCC(=O)NCCOc2ccc3ccccc3c2)cc1 223580993 AVQCTMQGUNJHOM-UHFFFAOYSA-N 351.471 4.436 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c(C)c1 224169085 NNUJLEFMCQWENH-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)N[C@@H](C)CC 225281010 SZTZMCJBFFBPEN-QWHCGFSZSA-N 373.324 4.425 0 40 FIAB COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OC 225681168 UMSPLUVIRJQENV-UHFFFAOYSA-N 371.408 4.071 0 40 FIAB Cc1cccc(-c2noc(CCC(=O)NCc3cccc4ccccc34)n2)c1 225815050 UWUOBPDIXOLMRQ-UHFFFAOYSA-N 371.440 4.447 0 40 FIAB COC(=O)c1c(C)n(C(=O)c2cc(Cl)ccc2OC)c2ccccc12 226367088 HRSXANFXCCWFTI-UHFFFAOYSA-N 357.793 4.087 0 40 FIAB CC(C)c1cc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc(O)n1 273606715 UHYPCLHBNUODCD-PKOBYXMFSA-N 372.440 4.042 0 40 FIAB Cc1nc2c(C(=O)N(C)[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)cccc2o1 280087905 RPCWQNLRAHCLTA-QFBILLFUSA-N 368.408 4.268 0 40 FIAB CC(C)(C)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408626164 ZUNDGOCLCPQBAW-UHFFFAOYSA-N 354.837 4.357 0 40 FIAB Cc1ccc2nc(C[C@H]3CN(C4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 514289301 PPLVNFSBVJZJIS-IRXDYDNUSA-N 369.509 4.159 0 40 FIAB biogenic,in-vitro Cc1cccc2nc(C3CCN(C(=O)c4c(O)cccc4F)CC3)oc12 547730476 USZPKFZOIWQFCK-UHFFFAOYSA-N 354.381 4.001 0 40 FIAB Cn1cc(C(=O)Nc2ccc3c(Cl)cc(Cl)cc3n2)c(C2CC2)n1 585085364 PPFRPTMMCDVSQM-UHFFFAOYSA-N 361.232 4.405 0 40 FIAB CO[C@H](C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1)[C@H]1CCOC1 585100473 XXCPACKRCALMGI-JXFKEZNVSA-N 351.402 4.090 0 40 FIAB COc1ccccc1-c1cc(NC(=O)C2(Cc3ccc(F)cc3)CC2)n[nH]1 682175416 YXOBAFAQYJJUEJ-UHFFFAOYSA-N 365.408 4.186 0 40 FIAB Cc1noc(C)c1CN1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 1888906245 UANRYRQQEKKUKS-AWEZNQCLSA-N 372.469 4.329 0 40 FIAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(C)cc1 681332 PHIWLTZXQQTUFL-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB Cc1ccccc1NC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21 811902 FCNIESIUKSUPLS-UHFFFAOYSA-N 358.397 4.412 0 40 FIAB Cc1ccc(OC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1 976890 HLJSJVDWDJCSQI-UHFFFAOYSA-N 360.822 4.396 0 40 FIAB Fc1cccc(-c2nnc3sc(Cc4c(F)cccc4Cl)nn23)c1 1018189 MVEVNNDBDNKUIU-UHFFFAOYSA-N 362.792 4.375 0 40 FIAB COC(=O)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 2077666 UNFRAJUOZJRASQ-YHNKWQPZSA-N 357.409 4.092 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 2621176 OIAUSXBTYTYZKL-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 2651112 JPNFZWAWFOVPFD-SFHVURJKSA-N 364.470 4.036 0 40 FIAB CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)C1CCCCC1 2663876 WILAYTKKENBDHQ-UHFFFAOYSA-N 370.522 4.028 0 40 FIAB Nc1c(C(=O)N2CCc3ccccc3C2)sc(=S)n1-c1ccccc1 3018679 STBGSTMNAPGORE-UHFFFAOYSA-N 367.499 4.049 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)NCCC2=CCCCC2)c1 3283644 NVLBGNGMFBCKEV-UHFFFAOYSA-N 367.898 4.225 0 40 FIAB CSc1ccc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1 3449046 VEMICCBELRRWQC-UHFFFAOYSA-N 350.369 4.129 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c(C)c1 3482334 VNJZWSRQJUHMQV-UHFFFAOYSA-N 374.440 4.136 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1 3554810 YGLCKQNHIBHYQQ-UHFFFAOYSA-N 357.303 4.122 0 40 FIAB CNC(=O)c1ccsc1NC(=O)c1ccc(Oc2ccccc2)cc1 4281805 FUFUKZOLURQPIX-UHFFFAOYSA-N 352.415 4.152 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1C 4548380 DFPIAJVUZZANOA-CQSZACIVSA-N 366.417 4.052 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3)C2=O)cc1 4660995 JHGQUSZTDIGFMU-CXUHLZMHSA-N 374.849 4.455 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(F)cc4)nc3C2)cc1 4777068 CLNSUXSMXQKBGE-AWEZNQCLSA-N 363.392 4.281 0 40 FIAB O=C(CSc1ncc(-c2ccccc2)nn1)Nc1cccc2ccccc12 5016542 UEFOUUPSUXXVNY-UHFFFAOYSA-N 372.453 4.423 0 40 FIAB CCn1c(SCc2ccccc2F)nc2c([nH]c3ccccc32)c1=O 5106564 OKMBOBIIISWKEU-UHFFFAOYSA-N 353.422 4.329 0 40 FIAB Cc1ccc(C(=O)N(CCN(C)C)c2nc3ccc(F)cc3s2)c(C)c1 5115286 HXPMWQMBSWQHGC-UHFFFAOYSA-N 371.481 4.261 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1cccc(N2CCCCC2=O)c1 5441600 OYALXNDJGCFFGC-UHFFFAOYSA-N 374.440 4.374 0 40 FIAB CC(C)(C)c1ccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)cc1 5610240 DXXRAZIYKAVIKL-UHFFFAOYSA-N 374.481 4.434 0 40 FIAB CCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 5877571 NJXNRAXDTFQACS-HKWRFOASSA-N 360.413 4.252 0 40 FIAB CCN(CC)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)s2)cc1 6551645 NJKXFNBSHKWPEN-UHFFFAOYSA-N 366.490 4.227 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3cccs3)cs2)cc1 6968473 PXQIYDMJKQSIIZ-UHFFFAOYSA-N 372.471 4.482 0 40 FIAB Cc1cc(C)c(NC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)c(C)c1 7141396 ZIHPZGQIXMNZNL-INIZCTEOSA-N 359.857 4.003 0 40 FIAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1Cl 7386587 AIAPOCRPQBAYLN-UHFFFAOYSA-N 374.687 4.318 0 40 FIAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 7684904 KQOZNOXIUHBGHL-OAHLLOKOSA-N 352.459 4.325 0 40 FIAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2cccs2)cc1 7702388 MOUWOFPJNMJOAH-LJQANCHMSA-N 357.500 4.433 0 40 FIAB O=C1C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21 8064166 HBZDULNQUZWPQU-UHFFFAOYSA-N 365.816 4.492 0 40 FIAB COc1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1F 8156150 ZGIQPUVYYMOENE-UHFFFAOYSA-N 365.832 4.304 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(OC(=O)c3cn4ccccc4n3)cc2)c1 8278036 UIBOEODBPADKKL-UHFFFAOYSA-N 371.396 4.114 0 40 FIAB O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1Cl 8699187 YQSKYFYLKJOQMT-JKSUJKDBSA-N 350.245 4.294 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 8746259 UOKPPMBFIZWAFM-MRXNPFEDSA-N 360.244 4.246 0 40 FIAB CCc1ccc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1 10336579 REPBTNORSAQBFQ-HNNXBMFYSA-N 367.836 4.473 0 40 FIAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccnn2C)oc2c(C)cccc12 12194101 SRGTVCWJADATLA-IBGZPJMESA-N 359.429 4.303 0 40 FIAB COc1cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc(C)n1 12225246 SITGGHFRQGCZDE-UHFFFAOYSA-N 368.824 4.443 0 40 FIAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c3ccccc23)cc1 12291085 ZCSHCYLKRWZQGC-UHFFFAOYSA-N 369.442 4.126 0 40 FIAB COc1cc2c(cc1CNC1(c3ccc(Cl)cc3)CCC1)OCCO2 12361812 KFBOGKNRLGZBMJ-UHFFFAOYSA-N 359.853 4.289 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(N(C)C)cc3)s2)cs1 12396649 HZZHQEKOXBMRKP-UHFFFAOYSA-N 371.531 4.219 0 40 FIAB COc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 12728262 SLONNNVRISTNOL-UHFFFAOYSA-N 350.443 4.330 0 40 FIAB CC(C)(C)c1ccc(O)c(NC(=O)C[C@@H](C(=O)O)c2ccc(F)cc2)c1 12793645 HMXZPBUXUITMAV-OAHLLOKOSA-N 359.397 4.026 0 40 FIAB COc1cccc2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)oc12 13693442 IGNKPPGMOFTCJR-UHFFFAOYSA-N 370.836 4.057 0 40 FIAB biogenic Cc1cc(C)cc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 13839655 OMXSWTNTALJBLI-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)NCCSc1ccccc1 14136001 SLOIYFZBILICBO-UHFFFAOYSA-N 352.459 4.183 0 40 FIAB C[C@H]1CCCN(C(=O)CSc2nc3ccccc3n2-c2ccccc2)C1 15912005 XNFBONNTNIAUDI-INIZCTEOSA-N 365.502 4.376 0 40 FIAB Cc1ccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)cc1C 15936048 KUCQOJNFCPXRMY-UHFFFAOYSA-N 373.566 4.161 0 40 FIAB COc1cccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c1 18235537 KEHUGGVZIRFPFI-UHFFFAOYSA-N 350.443 4.330 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc(C)c1C 19932066 CCKYMFDKVFCKTF-GOSISDBHSA-N 355.434 4.276 0 40 FIAB COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20137168 BUAARFIHDBOYFA-UHFFFAOYSA-N 371.820 4.282 0 40 FIAB COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20138262 MPIIQKAZDBZBKS-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCCCC2)cc1 20381117 SVZDNKQZKVRWAI-UHFFFAOYSA-N 366.486 4.366 0 40 FIAB O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 20503545 MVSRCHDCCALPAW-FUHWJXTLSA-N 362.498 4.196 0 40 FIAB biogenic,in-vitro CN(C)CCNCC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 20573263 OMVACMSEFZLKAW-IEBWSBKVSA-N 366.977 4.245 0 40 FIAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(C)c(F)c3)n2)cc1 21657879 UNNBBCZQEFFJRJ-UHFFFAOYSA-N 365.408 4.225 0 40 FIAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N(C)Cc1ccccc1 22245380 BAAWHFPWBZRGDJ-UHFFFAOYSA-N 351.475 4.492 0 40 FIAB COc1cc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)ccc1C 22295703 BFJYYPJIGYJWMX-ZIAGYGMSSA-N 373.522 4.190 0 40 FIAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1cccc2c1CCCC2 22834084 NBHGXUWTKRPTSP-UHFFFAOYSA-N 370.503 4.187 0 40 FIAB CC(=O)Nc1cccc(NC(=O)COc2cc(C)ccc2C(C)C)c1C 22994222 SPULPQBQXJGBKW-UHFFFAOYSA-N 354.450 4.403 0 40 FIAB O=C(CCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1cccs1 24695137 OFFKWMGMEBPMMN-CQSZACIVSA-N 368.458 4.258 0 40 FIAB CC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)nc1C 27580758 XMLRTDZDUKAQJR-UHFFFAOYSA-N 355.419 4.178 0 40 FIAB CCc1ccc(OCC(=O)N(Cc2ccccc2F)c2ccccn2)cc1 27992356 OQUZBUORKSWIOW-UHFFFAOYSA-N 364.420 4.395 0 40 FIAB Cc1cc(N2CCOCC2)ccc1NC(=O)CCc1ccccc1Cl 32032816 VEQYHBZNGZBOSH-UHFFFAOYSA-N 358.869 4.056 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 32462210 WSBHIBDGBDCDTK-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB O=C(Nc1ccccc1C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 32722169 WXQIXYWTZHABKG-HXUWFJFHSA-N 372.424 4.193 0 40 FIAB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@@H]1c1cccs1 32869169 MTJSZEFCGOSALA-GOSISDBHSA-N 363.486 4.400 0 40 FIAB C[C@H]1c2cc3c(cc2CCN1C(=O)Nc1ccc(F)cc1)OCCCO3 36625374 DPRPKJYBGQAREV-ZDUSSCGKSA-N 356.397 4.138 0 40 FIAB CCN(Cc1coc(-c2ccc(F)cc2)n1)C[C@H]1COc2ccccc2O1 37162754 ZWVNHSAIKGXUNI-SFHVURJKSA-N 368.408 4.143 0 40 FIAB CC(=O)Nc1nc(CSc2ncc(C(F)(F)F)cc2Cl)cs1 39563033 JGCRFKQQRRIPTL-UHFFFAOYSA-N 367.805 4.461 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)Nc1nc(-c2ccccc2)ns1 42090672 RVNIUFGRBBKXTO-UHFFFAOYSA-N 368.443 4.103 0 40 FIAB CCOC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc2c1CC[C@@H](C)C2 44827172 SLEWNICQLQCODZ-DIFFPNOSSA-N 371.458 4.331 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2CC)c(C)c1 44841500 AHRPPTLYGWPNRK-HNNXBMFYSA-N 355.434 4.140 0 40 FIAB CCCc1nc(-n2cccc2)sc1C(=O)NCc1cc(F)cc(F)c1 49006259 LXTUFMGQIBVUJV-UHFFFAOYSA-N 361.417 4.095 0 40 FIAB CN(C)/C=C/c1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl 49952214 ZHJVYVQFAOOSBF-ZHACJKMWSA-N 360.244 4.225 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364444 COGCOKQVRALUCQ-SFHVURJKSA-N 358.441 4.462 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccc(C)c(C)c2)C1=O 59457382 QBUGGADBJADADD-WOJGMQOQSA-N 368.458 4.418 0 40 FIAB CO[C@H](CNCc1c(C)nn(-c2ccc(F)cc2F)c1C)c1ccccc1 60528269 HYEIBDFWKNWRTL-OAQYLSRUSA-N 371.431 4.245 0 40 FIAB O=C(c1[nH]nc(C2CC2)c1Br)N1CCC[C@@H]1c1cccs1 65105428 NAMFKZAKRJMDEH-SNVBAGLBSA-N 366.284 4.088 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 72242368 XUAUYRXGRAHNSB-UHFFFAOYSA-N 363.244 4.482 0 40 FIAB Cc1ccc(-c2nc3ccccc3[nH]c2=O)c(NC(=O)c2ccccc2F)c1 79068620 YZKDJUJENOTVQR-UHFFFAOYSA-N 373.387 4.290 0 40 FIAB O=C(/C=C/c1cccc2ccccc12)Nc1ccc(CN2CCOC2=O)cc1 84598238 YEIUUIJDJNEULE-JLHYYAGUSA-N 372.424 4.444 0 40 FIAB COCOc1ccc(OC)cc1CN[C@H](C)c1ccc2c(c1)CCCC2 89905091 IFBKYWDEFIUWPG-MRXNPFEDSA-N 355.478 4.408 0 40 FIAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2ccccc2n1 89921973 KMFUGPPUSVCDKO-WFASDCNBSA-N 363.392 4.221 0 40 FIAB COc1ccc(CNC(=O)N(CCc2cccs2)Cc2ccoc2)cc1 90612452 KTTHGELGINYFQV-UHFFFAOYSA-N 370.474 4.304 0 40 FIAB CSCc1cc(C(=O)Nc2cccc(-c3nccn3C)c2)ccc1F 174111871 YYTALSXCDOYGDR-UHFFFAOYSA-N 355.438 4.342 0 40 FIAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1 222834358 BOOUOIUVUSTNIX-MRXNPFEDSA-N 372.896 4.030 0 40 FIAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C 223457891 UXKZJSAINBPZEB-GOSISDBHSA-N 364.489 4.225 0 40 FIAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCC 223479648 GWGCPODAHBYIBX-NRFANRHFSA-N 370.468 4.222 0 40 FIAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224251716 WKGPQYKMAIAADF-VQTJNVASSA-N 362.502 4.389 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225204468 GUPLWVJFCHOFPQ-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)N[C@@H](C)CC 225344675 HDBSUGZLFQXCON-NWDGAFQWSA-N 359.297 4.035 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(F)c(Cl)c1 225449986 GIFXBTACOVKAKL-UHFFFAOYSA-N 374.872 4.460 0 40 FIAB COc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1Cl 225675914 SAACGPPPQCDWDA-UHFFFAOYSA-N 358.825 4.036 0 40 FIAB CCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1)C1CC1 225723535 QGCZSMREDLHKSB-HTAPYJJXSA-N 374.525 4.084 0 40 FIAB O=C(CSC1=N[C@H]2CCCC[C@H]2O1)N1c2ccccc2[C@@H]2CCCC[C@@H]21 229917401 CVBUAWPIJKKUHS-PBWTXFEYSA-N 370.518 4.490 0 40 FIAB COc1cc(Br)c(-c2nc3cc(C)ccc3n2C)cc1OC 513868707 ZQDUMWSUQVSQJS-UHFFFAOYSA-N 361.239 4.328 0 40 FIAB O=C(NCC[C@@H](CCO)c1ccsc1)C1(c2cccs2)CCCC1 575605778 DKEVKUUGQKNXIX-HNNXBMFYSA-N 363.548 4.294 0 40 FIAB CCCCC[C@@H](O)/C=C\[C@@H]1[C@@H]2C[C@H](CO2)[C@H]1C/C=C/CCCC(=O)O 1529035900 LQANGKSBLPMBTJ-IDORJEHASA-N 350.499 4.336 0 40 FIAB CCc1ccc(C2=CCN(C(=O)N[C@@](C)(COC)C(F)(F)F)CC2)cc1 1680304763 AXQAQZOVFUOSBJ-SFHVURJKSA-N 370.415 4.015 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 869893 AORWOFUNLGQKLU-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB COc1ccc(OC)c(-c2csc(N(C)C(=O)c3cccc(C)c3)n2)c1 880992 LPXVTKGSWYPYHO-UHFFFAOYSA-N 368.458 4.412 0 40 FIAB COc1cccc2sc(NC(=O)c3ccc(Br)cc3)nc12 1510363 BSOYELJXYXAXMH-UHFFFAOYSA-N 363.236 4.320 0 40 FIAB COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2F)cc1OC 2238568 YUGIYLXZAKCRJD-UHFFFAOYSA-N 355.365 4.283 0 40 FIAB CCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 2400488 LMIQCAATOOTDSS-UHFFFAOYSA-N 374.444 4.285 0 40 FIAB Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)N(C)Cc3ccccc3)nn12 2756290 VRWZXBOVTSHTQT-UHFFFAOYSA-N 374.419 4.116 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCCC2 3268341 RXBIARQXMGQSDW-UHFFFAOYSA-N 365.401 4.334 0 40 FIAB COC(=O)Cc1ccc(Oc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 3283997 ABOBQWMZKBATPG-LBPRGKRZSA-N 368.458 4.324 0 40 FIAB O[C@H](CNCCC(c1ccccc1)c1ccccc1)COc1ccccc1 3311826 MCNLXNKNZVFOEA-JOCHJYFZSA-N 361.485 4.238 0 40 FIAB COc1cc(CC(=O)Oc2cc(C)cc(C(C)C)c2)cc(OC)c1OC 3316280 XQPGVTDLTNCYHG-UHFFFAOYSA-N 358.434 4.292 0 40 FIAB Cc1cc2ncn(C[C@H](O)CO[C@H](C)c3ccc(Cl)cc3)c2cc1C 3334874 LPIAIIBCPVUIQU-QAPCUYQASA-N 358.869 4.445 0 40 FIAB CC(C)(C)c1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1 4061130 AEOOUJQNFOGUSM-UHFFFAOYSA-N 353.491 4.124 0 40 FIAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1COc2ccccc2O1 4224237 JNMNORAYJPHYLX-INIZCTEOSA-N 372.833 4.242 0 40 FIAB O=C(CSc1ccc(-c2ccccc2)nn1)N1CCCc2ccccc21 4355415 OSKJFQNORPKMRB-UHFFFAOYSA-N 361.470 4.215 0 40 FIAB CCCC[C@@H](OC(=O)c1cc2sccc2n1C)C(=O)NC1CCCC1 4966912 DFALMURESYJQTG-MRXNPFEDSA-N 362.495 4.014 0 40 FIAB CCC(CC)COC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 5100931 LCCMFDLHQFOTPD-UHFFFAOYSA-N 368.481 4.416 0 40 FIAB COc1ccc(SCC(=O)Nc2cccc(Br)c2)cc1 5661654 YQOUITPCJUUDFY-UHFFFAOYSA-N 352.253 4.189 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)OC[C@H]1CCCN2CCCC[C@H]12 5670687 QSWYVTSVHDNZFA-CZUORRHYSA-N 372.292 4.180 0 40 FIAB biogenic,in-vitro CC(=O)c1c2c(cc3c1C[C@]1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 5713056 ZASRJJAKDNQGAJ-RUZDIDTESA-N 356.465 4.391 0 40 FIAB O=Cc1cc(Cc2ccccc2Cl)cc(I)c1O 5898473 QCFHEWXPGBISIG-UHFFFAOYSA-N 372.589 4.054 0 40 FIAB CCOc1ccc(/C=C/C(=O)OCc2cn3cc(Cl)ccc3n2)cc1 5982449 CIKZVWLVAPQCEH-BJMVGYQFSA-N 356.809 4.143 0 40 FIAB COc1cc(C(F)(F)F)nc(Oc2ccc(Cl)c3cccnc23)n1 6181604 IJSIHQVTUZSBSP-UHFFFAOYSA-N 355.703 4.498 0 40 FIAB COc1ccc(NC(=O)c2cccc(NC(=O)/C=C/c3ccco3)c2)cc1 6244598 KDDLSKXNCDTCGC-VAWYXSNFSA-N 362.385 4.192 0 40 FIAB Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1Cl 6315686 PZOCMFBGKHXWOR-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCOc1cc(C(=O)Nc2cc(F)ccc2F)cc(OCC)c1OCC 6376599 SLPYUXBHSCNSAD-UHFFFAOYSA-N 365.376 4.413 0 40 FIAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 6541175 YQFFHNAPRMNYSF-SNVBAGLBSA-N 355.809 4.312 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21 8959465 IUECQCAGRYNHBT-UHFFFAOYSA-N 366.461 4.327 0 40 FIAB CC(C)C(=O)N1CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2C1 9035736 SHGMZVQOBAXAKI-UHFFFAOYSA-N 356.853 4.133 0 40 FIAB Cc1cc(C)c2nc(NC(=O)C3CCN(C(=O)C(C)(C)C)CC3)sc2c1 9366135 MMMXGRIPVGGEPQ-UHFFFAOYSA-N 373.522 4.136 0 40 FIAB COc1ccccc1Cc1nnc(NC(=O)C[C@@H](C)c2ccccc2)s1 9614700 HPLAARACVOVTGK-CQSZACIVSA-N 367.474 4.270 0 40 FIAB Cc1ccccc1CN(C)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 9791800 XLXPFVWEGRASHH-OAQYLSRUSA-N 368.477 4.305 0 40 FIAB Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1NS(C)(=O)=O 10336429 CWTYFMFMODWNPN-UHFFFAOYSA-N 360.479 4.051 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 11914650 BWVWYVPUXJKKLK-UHFFFAOYSA-N 357.797 4.430 0 40 FIAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12220222 LUDHCUYRBLREKK-UHFFFAOYSA-N 373.443 4.496 0 40 FIAB CC(C)Sc1nc2ccccc2n1[C@@H](C)C(=O)NCCc1ccccc1 12535089 PTPZOPHLFHKOPV-INIZCTEOSA-N 367.518 4.457 0 40 FIAB O=C(c1cc(F)cc(F)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12813982 HCYSJXAVBOIGBX-KRWDZBQOSA-N 359.372 4.103 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(N2CCCC2=O)c1 12904134 LTDNTOFTXNMMAI-UHFFFAOYSA-N 363.244 4.301 0 40 FIAB O=S(=O)(Nc1cccc(C2SCCCS2)c1)c1cccc(F)c1 18708246 WBKUDRNBFVQPGT-UHFFFAOYSA-N 369.508 4.495 0 40 FIAB CCOc1ccc(CCC(=O)N2CCc3ccccc3C2)cc1OCC 20491355 HPGQEYFVYQPHFP-UHFFFAOYSA-N 353.462 4.002 0 40 FIAB O=C(CCc1cn(CN2CCCC2)c2ccccc12)N1CCCCCC1 20647775 FGJNKVOQAJJJAX-UHFFFAOYSA-N 353.510 4.030 0 40 FIAB Cc1c(Cl)cccc1Nc1nnc(S[C@H]2CCCCNC2=O)s1 21534003 ZPCBQWMOONIXMS-LBPRGKRZSA-N 368.915 4.004 0 40 FIAB CC[C@H](C)C(=O)O[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 23519923 UMJMHUJYYIQNAG-LIRRHRJNSA-N 353.418 4.158 0 40 FIAB Cc1sc2ncn(Cc3ccc(OC(F)(F)F)cc3)c(=O)c2c1C 24242468 GTZGSQOAWBIHFF-UHFFFAOYSA-N 354.353 4.022 0 40 FIAB CCOC(=O)[C@H](Sc1nccn1-c1cccc(F)c1)c1ccccc1 26106958 ZNSOYPYURIZBMI-QGZVFWFLSA-N 356.422 4.408 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Oc1ccccc1Cl 29470751 WNNGRHOOQTVQKL-UHFFFAOYSA-N 354.715 4.314 0 40 FIAB O=C(NCCc1csc(-c2cccnc2)n1)Nc1cccc(Cl)c1 31773223 LRMWLFYGUSRRKJ-UHFFFAOYSA-N 358.854 4.223 0 40 FIAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccccc1-c1cccs1 32857931 MUVRFVKHJDRTFN-UHFFFAOYSA-N 364.470 4.482 0 40 FIAB COc1cc(OC)c(NC(=O)c2ccc(N3CCC(C)=N3)cc2)cc1Cl 32926077 QNMOVKNGLIUDTM-UHFFFAOYSA-N 373.840 4.196 0 40 FIAB C[C@H](OCCCNC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1 37163194 MGQNFRZILOFINA-HNNXBMFYSA-N 370.474 4.230 0 40 FIAB C/C=C/C(=O)Nc1cnc(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124312 DUQYEQPQLHJDHE-ONEGZZNKSA-N 358.854 4.472 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 41750171 BCRHDSWFDJSXDV-UHFFFAOYSA-N 364.489 4.364 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c(C)o1 44204247 NCXVIWWGHXBMLK-ZDUSSCGKSA-N 357.435 4.028 0 40 FIAB CC(=O)N1CCc2cc(C(=O)N[C@@H](c3cccs3)C(C)(C)C)ccc21 44520582 MOHAFQCLUUTDSM-SFHVURJKSA-N 356.491 4.174 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)n[nH]2)cc1 44837740 SIDSQIZNHWATLN-UHFFFAOYSA-N 356.223 4.400 0 40 FIAB COc1ccc(NC(=O)CN2CCC[C@H]2c2ccsc2)cc1Cl 48374354 YQXNTBAYOPXCOJ-HNNXBMFYSA-N 350.871 4.186 0 40 FIAB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc(O)c(Cl)c1 49546793 MUOQMYVGHVHCHE-CQSZACIVSA-N 351.859 4.421 0 40 FIAB Cc1ccsc1CN(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 53176057 FMKCVFWFWFYPIC-UHFFFAOYSA-N 365.882 4.072 0 40 FIAB C[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)N1c2ccccc2C[C@H]1C 57727641 KROZHGXZMBXNMU-CHWSQXEVSA-N 364.367 4.363 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccnc(OCc4ccccc4)c3)cc2o1 64821578 ZMKRLQOAHZIJSZ-UHFFFAOYSA-N 359.385 4.363 0 40 FIAB CCO[C@@H]1C[C@@H](NC(=O)Nc2cccc3cnccc23)C12CCCCC2 72306082 ZFVDFYCYCNJRGU-RTBURBONSA-N 353.466 4.484 0 40 FIAB O=C(NCCC1=CCCCC1)c1cn[nH]c1-c1cccc(Br)c1 72329038 QFPSGWWSHGOXDG-UHFFFAOYSA-N 374.282 4.460 0 40 FIAB Clc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377606 RTPDUPDIFIJUQO-QGZVFWFLSA-N 366.856 4.001 0 40 FIAB O=C(O)[C@@H]1CCCCCN1C(=O)OCC1c2ccccc2-c2ccccc21 80987593 WVJOHQNQAXAVJQ-FQEVSTJZSA-N 365.429 4.265 0 40 FIAB FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](CNC2CCCCC2)COC1 96112691 ZVIKOWKDRHTYJF-AWEZNQCLSA-N 353.388 4.049 0 40 FIAB biogenic,in-vitro CCOc1ccc(N2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc(F)cc23)cc1 101170502 RWXNRLJWWKQCPH-APWZRJJASA-N 358.438 4.159 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccc(F)cc2Cl)C1 102171070 FAHSDKDUSVMEKM-QMTMVMCOSA-N 355.881 4.119 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2ncnc3sccc23)C1 102561122 OWCKLUVDBOPILE-KPZWWZAWSA-N 361.536 4.211 0 40 FIAB O=c1cc(-c2ccccc2)nc(/C=C(\O)c2ccncc2)n1-c1ccccc1 102942182 ZNGDKKCACHZZCK-PGMHBOJBSA-N 367.408 4.351 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(C)C 113956326 WKUJVFGBUMWWLC-UHFFFAOYSA-N 363.479 4.407 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCC1(c2ccccc2)CCOCC1 175562509 LNEJWFXNDFPYBS-OAQYLSRUSA-N 367.489 4.017 0 40 FIAB O=C(O)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 216919950 YHKCRXMCNNZGSE-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccccc1Cl 219557209 AAGCWEJHWAHZFI-KRWDZBQOSA-N 361.869 4.255 0 40 FIAB O=C(COc1cccc2c1CCCC2)Nc1nnc(-c2ccccc2)s1 223348117 YQGIJQFMHHXYGK-UHFFFAOYSA-N 365.458 4.101 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 223632569 YRVZXYMXCKKHAY-UHFFFAOYSA-N 350.462 4.277 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCSCc2ccccc2)c1 224165015 PXKUYUZWOIXLRC-OAHLLOKOSA-N 359.491 4.205 0 40 FIAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC(C(C)C)C(C)C 224797470 DNYQNLRUXJBHJD-UYRXBGFRSA-N 368.477 4.156 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)cc1C 224820397 XFUFFRXGQSOMSE-CQSZACIVSA-N 351.368 4.406 0 40 FIAB Cc1ccc(-c2noc(CNC(=O)C3(c4ccccc4)CCCC3)n2)cc1 225575691 QTDVWIAORRZICT-UHFFFAOYSA-N 361.445 4.173 0 40 FIAB Nn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 226299247 XMKSZUBJXPVNKB-UHFFFAOYSA-N 365.289 4.182 0 40 FIAB O=C(CCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 228923038 JSFPNQMLYXYRIE-UHFFFAOYSA-N 374.278 4.101 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 243713785 PNTBCWGZNWFXSY-SFHVURJKSA-N 350.462 4.418 0 40 FIAB Cc1cc(C)c(CN2CCO[C@]3(CCCC[C@@H]3N3CCCC3)C2)cc1C 306136513 PVQOTSXUDFCBDQ-XZOQPEGZSA-N 356.554 4.221 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccc(Cl)s1 390830242 JRHNWZCLFSZACQ-JTQLQIEISA-N 353.852 4.186 0 40 FIAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(CC)cc3)N(C)C2=S)cc1 409049277 YSEJSMCEZBZKKS-RGEXLXHISA-N 366.486 4.252 0 40 FIAB CC(C)NC(=O)N(C)c1ccc(OCc2cccnc2C(F)(F)F)cc1 530159077 GCXDOSBSDBCAEE-UHFFFAOYSA-N 367.371 4.234 0 40 FIAB O=C(Cc1coc2ccccc12)NCCc1nc2ccccc2n1C(F)F 556845677 PASTYNQGYXWTPK-UHFFFAOYSA-N 369.371 4.079 0 40 FIAB Cc1cc(C)n([C@@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)n1 575611026 SXHFGGJWGABCJL-INIZCTEOSA-N 359.882 4.234 0 40 FIAB c1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)cc1 585105303 SPWOICCOVKUTRW-QFIPXVFZSA-N 366.505 4.060 0 40 FIAB Cc1c(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)nnn1CC1CCCC1 622710040 UNOVYQATHHFVPJ-QGZVFWFLSA-N 360.546 4.454 0 40 FIAB C=CC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C 1120554312 PXJFBMCTCUCEAH-SECBINFHSA-N 351.269 4.244 0 40 FIAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC(n2cnc3ccccc32)C1 1775974634 YHKYFTLQIRGQKB-UHFFFAOYSA-N 373.378 4.071 0 40 FIAB Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2Cc2sccc2C)n1 1848353169 DDMCVIPYHQETES-INIZCTEOSA-N 353.495 4.272 0 40 FIAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1cc2ccccc2o1 1004672 HROVWACTORPILA-UHFFFAOYSA-N 360.822 4.222 0 40 FIAB O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1 1230944 ULLNTFLEEKYKQT-CQSZACIVSA-N 361.631 4.364 0 40 FIAB Cc1cccc(Nc2nc(C3CC3)nc3c2nnn3Cc2ccccc2)c1 1331261 BCVZONUPOWMPFR-UHFFFAOYSA-N 356.433 4.199 0 40 FIAB CCc1cc2c(SCC(=O)Nc3ccc(C(C)=O)cc3)ncnc2s1 2622988 ORXOJSQYHIIPRV-UHFFFAOYSA-N 371.487 4.187 0 40 FIAB C[C@@H]1C[C@@H](C)CN(C2CCN(Cc3ccccc3Br)CC2)C1 2735153 JUMJMQVCTRHKTK-HZPDHXFCSA-N 365.359 4.391 0 40 FIAB O=C(OCc1nnc(-c2ccccc2)o1)C1(c2cccc(F)c2)CCCC1 3346411 FFRZZJTVYZTHCZ-UHFFFAOYSA-N 366.392 4.431 0 40 FIAB Cc1ccc(C)c(C(=O)Nc2cccc(I)c2)c1 3428186 HCRUEYROMYBPGX-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB COc1cc2c(cc1NC(=O)CN1CCCC[C@@H]1C)oc1ccccc12 3583734 XRGLGIUHXJIEKD-AWEZNQCLSA-N 352.434 4.408 0 40 FIAB CCC(CC)C(=O)Nc1nnc(-c2ccc(Br)cc2)s1 4072420 OPRBCTAWYLMSRF-UHFFFAOYSA-N 354.273 4.342 0 40 FIAB CCCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccco1 4861122 QBCUUZZJKAJKRD-UHFFFAOYSA-N 370.478 4.377 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCCOc1ccc(C)cc1 4943212 JMHZZQAQXIIGQV-UHFFFAOYSA-N 365.477 4.182 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 5322798 KFYILMBFJHTNJZ-UHFFFAOYSA-N 363.442 4.339 0 40 FIAB COc1ccc(O)c(-c2c[nH]c(=S)nc2-c2cc(OC)ccc2OC)c1 5558554 LRSUNEOTUKWVTH-UHFFFAOYSA-N 370.430 4.205 0 40 FIAB C[C@H](C(=O)Nc1ccccc1F)N(C)Cc1ccc(Br)cc1 6602898 MFXCBBUKOZCLKK-GFCCVEGCSA-N 365.246 4.047 0 40 FIAB CCSc1nnc(NC(=O)CCCc2nc3ccccc3s2)s1 6787825 YWNXXBPEBIDUQZ-UHFFFAOYSA-N 364.521 4.221 0 40 FIAB CCOc1c(Cl)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 7886225 BTBOSXGLDFKBRU-IBGZPJMESA-N 372.852 4.476 0 40 FIAB CCN(CC)Cc1ccccc1CNC(=O)/C=C/c1ccc(OC)c(F)c1 7946534 XAXSSWUYKCJDCD-ACCUITESSA-N 370.468 4.006 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)COc1cccc2cccnc12 8394361 QPWWYKHELBVJKA-UHFFFAOYSA-N 358.800 4.065 0 40 FIAB O=C1C[C@H](c2cccc(Br)c2)c2c(-c3ccccc3)n[nH]c2N1 9546550 VYPRGSLYFCOHPV-CQSZACIVSA-N 368.234 4.313 0 40 FIAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccco3)ccc2o1 9660002 GEKYNIGOXCOJRA-UHFFFAOYSA-N 361.353 4.314 0 40 FIAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)n1 10056676 DHTIRARFTBJWPN-LJQANCHMSA-N 358.397 4.097 0 40 FIAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(C2CCCC2)c1C 12372553 XGMVLUPBBMDQFK-UHFFFAOYSA-N 352.887 4.288 0 40 FIAB CSc1ccc(CN(C)Cn2ncn(-c3ccccc3)c2=S)cc1 12516814 IVVSDYVTBHSYJW-UHFFFAOYSA-N 356.520 4.215 0 40 FIAB C[C@@H]1CN(C(=O)[C@@H](C)Nc2ccc3oc4ccccc4c3c2)C[C@@H](C)O1 12543712 JAYYSEHOJJNLGI-RBSFLKMASA-N 352.434 4.022 0 40 FIAB CC(=O)c1c(C)nc(C)nc1S[C@@H](C)C(=O)Nc1cc(C)ccc1C 12740788 GCOVZHCPFCMXLQ-AWEZNQCLSA-N 357.479 4.032 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 12763443 PPKGCBLUSFXJOV-UHFFFAOYSA-N 369.852 4.004 0 40 FIAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1 12877174 DZXSSVFQSZOUHY-UHFFFAOYSA-N 350.422 4.151 0 40 FIAB c1ccc(-c2noc(CSc3nnc(NCc4ccco4)s3)n2)cc1 12914057 CSOGSNVSKPMRCU-UHFFFAOYSA-N 371.447 4.086 0 40 FIAB Cc1ccccc1NC(=O)c1sc(=S)n(Cc2ccccc2)c1N 13547200 YPYFPTXAPRACEW-UHFFFAOYSA-N 355.488 4.470 0 40 FIAB Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)o1 15412715 IEGQVCDGLFGCRH-QFIPXVFZSA-N 374.440 4.326 0 40 FIAB O=C1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)c2ccccc2N1 15854611 VMCJHXVCMQFWBN-UHFFFAOYSA-N 352.777 4.199 0 40 FIAB CCOC(=O)c1sc(NC(=O)Cc2coc3cc(C)ccc23)cc1C 16003313 HLWBDWLMGSNUNC-UHFFFAOYSA-N 357.431 4.469 0 40 FIAB C[C@H](NS(=O)(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 16088045 RNAMHHSTMLQRNR-JTQLQIEISA-N 363.788 4.398 0 40 FIAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2c1cnn2-c1nc2ccccc2[nH]1 19817348 GJYCMFBZTNOJKB-CYBMUJFWSA-N 362.820 4.315 0 40 FIAB CNC(=O)[C@@H](C)Sc1nc(Nc2ccccc2Cl)c2ccccc2n1 21733636 GLNSJNIZURWEKE-LLVKDONJSA-N 372.881 4.253 0 40 FIAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 24831206 IQKCGKQOMKJEMG-UHFFFAOYSA-N 365.458 4.285 0 40 FIAB CNC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 24923739 YVWZIDSKBPWXPU-UHFFFAOYSA-N 356.425 4.178 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 28220907 HLSOLTMMQBGQND-QFBILLFUSA-N 356.897 4.429 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)o1 28237677 VRQYZUJJMZMDEW-UHFFFAOYSA-N 365.385 4.322 0 40 FIAB COc1ccc(NC(=O)CSc2ccc(-c3ccncc3)o2)c(OC)c1 28535289 KFABHMPLAHZSKP-UHFFFAOYSA-N 370.430 4.090 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)c3cccc(Br)c3)c2)n1 31121793 HFWQVPSBFOMJQQ-UHFFFAOYSA-N 368.234 4.467 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1[nH]nc2c1CCCC2 32809865 IBWLPBLOCOMPLX-QGZVFWFLSA-N 355.438 4.009 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)c(C)c1 36616792 YTIWMNHIAWWLBI-UHFFFAOYSA-N 372.428 4.205 0 40 FIAB C[C@H]1C[C@H](C)CN(Cc2nc(-c3cc(Br)cs3)no2)C1 40157191 VCEYGQJBHBYKPN-UWVGGRQHSA-N 356.289 4.039 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)C[C@@H]3OC(=O)c4ccccc43)cn2)cc1 44810138 XCWOEYDXGSZFBR-IBGZPJMESA-N 374.396 4.423 0 40 FIAB CN(Cc1csc2ccccc12)C(=O)NCCc1nc2ccccc2[nH]1 46919608 SGJWWRDFUHVYJD-UHFFFAOYSA-N 364.474 4.162 0 40 FIAB CCN1CCC(N(C(=O)/C=C/c2ccc(Cl)cc2Cl)C2CC2)CC1 48276255 JMFMEANUKYZNOJ-XBXARRHUSA-N 367.320 4.482 0 40 FIAB COc1ccc(-c2n[nH]c(S[C@H](C)c3nc(C(C)(C)C)no3)n2)cc1 48325774 AQKYNQLLTDEGAY-SNVBAGLBSA-N 359.455 4.014 0 40 FIAB Cc1oncc1C(=O)Nc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 58264474 WCYGNWMUWLTAAC-UHFFFAOYSA-N 363.417 4.152 0 40 FIAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 59344306 UJRKQASTNWSJIK-UHFFFAOYSA-N 350.462 4.239 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCc2cc(Br)ccc21 60129530 WEDWHDMETWDHFH-UHFFFAOYSA-N 366.642 4.314 0 40 FIAB Cc1cnc(C(=O)N[C@H](CC(C)C)c2cccc(C(F)(F)F)c2)cn1 60367485 RLFDATMWMWHIIB-OAHLLOKOSA-N 351.372 4.321 0 40 FIAB O=C(c1c(F)cccc1F)N(CCc1ccccc1)Cc1ccccn1 62017888 QNDVEUCQCYZZMR-UHFFFAOYSA-N 352.384 4.245 0 40 FIAB CC(C)c1ccccc1Nc1nc(-c2ccc(S(N)(=O)=O)cc2)cs1 65567697 RFJANLYZGOTLCU-UHFFFAOYSA-N 373.503 4.325 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 69743603 VNISNKKXLAFTEM-CQSZACIVSA-N 374.843 4.029 0 40 FIAB Clc1ccc(-n2cccn2)c(NCc2noc(Cc3ccccc3)n2)c1 75093250 CCHHWVZRAJLFKV-UHFFFAOYSA-N 365.824 4.112 0 40 FIAB Cc1ccccc1[C@@H]1CN(c2nc(-c3ccncc3)nc(C)c2C)CCO1 78367296 PXDKLNCUNYIABZ-FQEVSTJZSA-N 360.461 4.042 0 40 FIAB Cc1nc2ccc(N(C)C(=O)[C@H]3CCN(C4CCCCC4)C3)cc2s1 83005424 XUJJCJOISBSSRK-HNNXBMFYSA-N 357.523 4.222 0 40 FIAB COc1cccnc1NC(=O)c1cn(Cc2ccccc2)c2ccccc12 95393457 JCEAJWQDWAPGAF-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB CCCCc1nc(C)sc1C(=O)N1CCc2cc(OC)c(OC)cc2C1 96113924 IIZWMXRTWBOPJO-UHFFFAOYSA-N 374.506 4.010 0 40 FIAB biogenic Cc1cc(C)cc(NCc2cn(C)nc2-c2ccc3c(c2)OCCCO3)c1 97465917 ADSRBZDBYOBAIO-UHFFFAOYSA-N 363.461 4.477 0 40 FIAB C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 100146985 ABSVVNAXUBJWAN-WBMJQRKESA-N 363.335 4.268 0 40 FIAB O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc(Cl)cc1 100419673 NVWVDICKUFFJGW-WOJBJXKFSA-N 354.881 4.265 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1Cl 223042452 OOUHSEZEQLWEOO-UHFFFAOYSA-N 368.216 4.431 0 40 FIAB CC(C)Oc1ccc(C(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224676123 KPBASDUNBRWLQH-UHFFFAOYSA-N 366.505 4.390 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCCC1 225711163 CWQFGKGWSHYXBA-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1ccccc1Cl 226289002 RUVZJLZITFQDHG-UHFFFAOYSA-N 366.822 4.129 0 40 FIAB Cc1cc(N)cc(Br)c1NC(=O)COc1ccccc1Cl 227145539 CSLPHYJSANUPCP-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCCN2Cc2cncs2)n1 257207877 BJSZPUKUQYLIQP-HNNXBMFYSA-N 372.523 4.169 0 40 FIAB Cc1noc(C)c1-c1cc(C2CCN(Cc3nccs3)CC2)ccn1 257243929 IJDQFXAYZDQPAO-UHFFFAOYSA-N 354.479 4.190 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F 408619531 COZBJAJQRVOYSL-UHFFFAOYSA-N 363.694 4.166 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 408624828 CIJGCISPDFIQKT-UHFFFAOYSA-N 369.273 4.388 0 40 FIAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 408705731 MHRHWEWSRYLEKR-UHFFFAOYSA-N 374.506 4.157 0 40 FIAB O=C(C1CC(F)(F)C1)N1CC[C@]2(COc3ccc(-c4ccccc4)cc32)C1 1614935149 VLFGPEKPBSHQFV-OAQYLSRUSA-N 369.411 4.261 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC(COc2ccncc2Cl)CC1 1889166613 DDYJKERGRCLCNZ-UHFFFAOYSA-N 365.260 4.320 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccccc2Cl)cc1 1948808 XXJYBAKNBNMUNV-UHFFFAOYSA-N 359.853 4.111 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 2084712 IYKARKGXYGTHIS-UHFFFAOYSA-N 373.277 4.201 0 40 FIAB CC1(C)CC(=O)c2cn3nc(SCc4ccccc4Cl)nc3nc2C1 2363267 SIRVSFYWFNPXPS-UHFFFAOYSA-N 372.881 4.225 0 40 FIAB CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 2461035 VFKRYUXCYFPEBN-UHFFFAOYSA-N 369.464 4.487 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1C 2642273 DOPVTDXVCMMLCP-UHFFFAOYSA-N 364.401 4.062 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(OC(F)F)cc1 3303116 NBHKKWFAUYORBM-UHFFFAOYSA-N 359.328 4.117 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 3621466 XXPCGKYFWMZYQM-UHFFFAOYSA-N 355.394 4.160 0 40 FIAB Cc1ccc(Sc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 3658338 LKPFTIJHKLWWJA-UHFFFAOYSA-N 364.470 4.167 0 40 FIAB COc1ccc2nc(Nc3nc4cc5c(cc4s3)OCO5)sc2c1 4137807 OHRGTVQDBQOSBR-UHFFFAOYSA-N 357.416 4.387 0 40 FIAB aggregator COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCC(C)CC2)cc1 4847676 GQEAQPZTFWCMAW-HXUWFJFHSA-N 369.513 4.008 0 40 FIAB Cc1ccc(C[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)O)cc1 5197585 ARRASWWBPLATOR-CQSZACIVSA-N 365.351 4.286 0 40 FIAB Cc1ccccc1Cn1cccc(C(=O)Nc2cccc(Cl)c2C)c1=O 5269213 POXWOEQJXLASNL-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Br)cc1 5406246 NIIPLDUBKUOPLA-UHFFFAOYSA-N 361.264 4.331 0 40 FIAB O=C(Nc1cccc(F)c1)[C@H]1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 5944323 RIRNTNCTSCKVLB-OKILXGFUSA-N 358.388 4.348 0 40 FIAB Cc1cc(C(=O)CSc2nncn2C)c(C)n1CCC1=CCCCC1 6063336 BRDFIRVGSRKVDK-UHFFFAOYSA-N 358.511 4.099 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)c1 6207432 JQJQKXXOEUANNF-UHFFFAOYSA-N 357.410 4.223 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)cc12 6365699 SGIOLVJVQZTNIB-CYBMUJFWSA-N 371.820 4.011 0 40 FIAB COc1ccc([C@H](C)NC(=O)CCc2nc3ccccc3s2)cc1F 7074116 VSISKJAQNIBQOK-LBPRGKRZSA-N 358.438 4.254 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2O1 7453569 YIHHCOHDWXRNOH-UHFFFAOYSA-N 365.351 4.436 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc2ccccc2o1 7671840 RREQQYMTCCDOEE-UHFFFAOYSA-N 372.306 4.285 0 40 FIAB COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 7917339 MKVFLKORRYMPNV-OAQYLSRUSA-N 374.440 4.195 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1oc2c(F)cccc2c1C 8073140 BDGKCCAGBHNHCA-UHFFFAOYSA-N 355.365 4.271 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(OC)c(OC)c2)cc1 8229568 WNELNVYTIAVDBP-LJQANCHMSA-N 369.461 4.470 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(OC)cc1 8517940 DRZMZLHASBGVGE-OAHLLOKOSA-N 374.289 4.432 0 40 FIAB Cc1ccsc1/C=C1\C(=O)N(Cc2ccccn2)C(=O)c2ccccc21 8706826 FTZNZSJAPTYTSK-PDGQHHTCSA-N 360.438 4.175 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(F)c(F)c1F 11041073 STPVKWDMPVMSGL-UHFFFAOYSA-N 358.747 4.125 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1c1ncnc2ccccc12 11247364 QRCNGOUSNHAZFW-KRWDZBQOSA-N 370.815 4.030 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3ncsc3c2)c(OC)c1 11549006 OHKSZGPZNAXQQS-QGZVFWFLSA-N 368.458 4.291 0 40 FIAB CC[C@H](C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)c1ccccc1 12115018 UEEUZEVBQVDJBV-QFBILLFUSA-N 369.415 4.098 0 40 FIAB CCOc1ccc(OCCOC(=O)CCc2c[nH]c3ccccc23)cc1 12622504 PYTSPVHGEMXGQT-UHFFFAOYSA-N 353.418 4.121 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2C)c1 12761116 LZDVUNRXHAUZRN-XEDBTPMOSA-N 351.446 4.389 0 40 FIAB O=c1[nH]c2ccccc2n1CCCSCc1coc(-c2ccccc2)n1 12791690 PPJNPHMUNZSXDR-UHFFFAOYSA-N 365.458 4.308 0 40 FIAB CC[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccc(OC)cc1 12889451 BNMTWQQCHGDZAE-MRXNPFEDSA-N 370.474 4.089 0 40 FIAB CCC(=O)Nc1nc(-c2cccc(NC(=O)/C=C/c3ccco3)c2)cs1 13942677 RNTXJXFASCFBBU-CMDGGOBGSA-N 367.430 4.404 0 40 FIAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)cc3C)sc2c1 13948041 HGSCBMVQPNYTHY-UHFFFAOYSA-N 362.476 4.113 0 40 FIAB COc1cc(C)c(CN(Cc2ccncc2)Cc2cccnc2)cc1OC 13989689 DXWVMWRFKILSFF-UHFFFAOYSA-N 363.461 4.005 0 40 FIAB CCCCn1nc(C)c(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1Cl 16104124 BKFMULCWPCMTJY-UHFFFAOYSA-N 371.771 4.219 0 40 FIAB CC1CCN(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 17813143 YPZSRDPNOKYPDL-UHFFFAOYSA-N 350.506 4.134 0 40 FIAB COc1cccc(Nc2nc(C3CCNCC3)c3sc(C)c(C)n23)c1 19561823 YOFMCHJJESMUSP-UHFFFAOYSA-N 356.495 4.232 0 40 FIAB CCOc1cccc2sc(NC(=O)CCc3nc4ccccc4[nH]3)nc12 19717770 SIPWKWYWXUGDLY-UHFFFAOYSA-N 366.446 4.143 0 40 FIAB CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccncc1 19849366 GMIULIMKIQTQTL-UHFFFAOYSA-N 364.883 4.050 0 40 FIAB CCCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl 19943228 ZUXKKSMGYYWPKM-KBPBESRZSA-N 359.919 4.186 0 40 FIAB Cc1ccccc1OCC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20143741 LLIKWUSVYYDDCT-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20242043 SWPIJELHJISQGF-CQSZACIVSA-N 356.491 4.334 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 20488674 KJJMTGALMSTKFW-HNNXBMFYSA-N 354.475 4.074 0 40 FIAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 21904414 YWXOKYBSLXXGNO-SFHVURJKSA-N 358.441 4.331 0 40 FIAB CCCCOc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 22766918 QHNLALSXOGEXSG-GOSISDBHSA-N 361.511 4.351 0 40 FIAB COc1cc(C(=O)OCc2c(C)noc2C)cc(Cl)c1OCC(C)C 23883398 LLBMJHXTQOGJPP-UHFFFAOYSA-N 367.829 4.345 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 26915688 BFSCTWDOELHYQE-QFIPXVFZSA-N 363.505 4.153 0 40 FIAB CSc1ncc(Br)c(C(=O)Nc2cccc3ccccc23)n1 27742687 GWXSZQGYVMGLLV-UHFFFAOYSA-N 374.263 4.367 0 40 FIAB Clc1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)no2)cc1 29387623 YSPWXFONXVLWTQ-UHFFFAOYSA-N 354.753 4.019 0 40 FIAB Cc1[nH]c2ccc(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cc2c1C 31176373 WUJGSKSWACQIFZ-FQEVSTJZSA-N 352.409 4.138 0 40 FIAB CCn1nc(C(C)C)cc1C(=O)N[C@H](C)c1ccccc1Br 31811282 RASLSYPVLXICTH-GFCCVEGCSA-N 364.287 4.280 0 40 FIAB O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C1CCC1 32907120 XNIFLAQLPAHPDM-UHFFFAOYSA-N 356.369 4.371 0 40 FIAB Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 38848759 VXWVXZODTYMPHI-LJQANCHMSA-N 356.897 4.177 0 40 FIAB COc1ccc(NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1Cl 38850252 PZNLSXHZVJOBNE-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB COCCOc1ccc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 40097825 GKPOEKNMMSYIIJ-UHFFFAOYSA-N 368.355 4.052 0 40 FIAB Cc1ccc(-c2nc(CC(=O)NCCOc3c(C)cccc3C)cs2)o1 40113763 MHZZBKCZDTXKAT-UHFFFAOYSA-N 370.474 4.066 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Oc2nc3ccccc3nc2Cl)CC1 40434383 RIOATDACYMWPRZ-UHFFFAOYSA-N 363.845 4.062 0 40 FIAB CCOc1cc(CNC(=O)Nc2ccc(F)cc2)ccc1OC(F)F 47322586 MPNKETPRWPEZHE-UHFFFAOYSA-N 354.328 4.148 0 40 FIAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc2nsnc2c1 57315743 MDVPUNKJDSBMHO-UHFFFAOYSA-N 373.397 4.147 0 40 FIAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(F)cc1F 58213292 SFQURCLMYIOACT-UHFFFAOYSA-N 363.314 4.049 0 40 FIAB COc1cc(OC)c([C@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc1OC 71279811 RFRLSQKESLHCHW-CYBMUJFWSA-N 371.437 4.148 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nc2cc(Br)ccc2[nH]1 71973390 PZDCXMKEQLOWNP-ZDUSSCGKSA-N 366.259 4.397 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)=O)cn1 72214972 FTWRVIKJYRRYOK-QGZVFWFLSA-N 361.486 4.307 0 40 FIAB Cc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1 72329041 MGLZTQBIOUSEMG-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB CCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1OCCC 72414215 DVZVDGDOOBZBFH-DOTOQJQBSA-N 369.527 4.121 0 40 FIAB COc1ccc(CCC(=O)N[C@@H]2CCCC2(C)C)cc1Br 75105487 XVTTZCGORWNUMU-OAHLLOKOSA-N 354.288 4.085 0 40 FIAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nnc(C(F)(F)F)o2)C1 77197867 UQYFICRIAUTOLY-SECBINFHSA-N 374.750 4.153 0 40 FIAB O=C(c1ccc(O)cc1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 84593446 FNYIBWVQOKCOOL-UHFFFAOYSA-N 373.412 4.181 0 40 FIAB COc1ccc([C@H](CNc2cc(C)nc3ccccc23)N(C)C)cc1OC 89583097 UXBXREGAYUZMQH-FQEVSTJZSA-N 365.477 4.275 0 40 FIAB C[S@](=O)C[C@@H](NCc1csc(-c2ccccc2F)n1)c1ccccc1 95462654 CJZPEUYADWFWQQ-IQGLISFBSA-N 374.506 4.159 0 40 FIAB COc1cc2cc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)[nH]c2cc1OC 101333396 IJSLLKFRKCTFMH-SZNDQCEHSA-N 356.466 4.226 0 40 FIAB COc1ccccc1-c1noc(C2CCN(c3ccc(Cl)cn3)CC2)n1 109455185 JSPRMUXXUSZFIH-UHFFFAOYSA-N 370.840 4.178 0 40 FIAB O=C(Nc1cnn(-c2ccccc2)c1)c1c(F)cccc1Br 176212247 SMWAAFROSUQWGI-UHFFFAOYSA-N 360.186 4.026 0 40 FIAB CCOc1ccccc1CCCNC(=O)CSCc1cccc(C)c1 222742116 STMZFGANJLNNQT-UHFFFAOYSA-N 357.519 4.376 0 40 FIAB CCc1ccc(CC)c(CNC(=O)CCCOc2ccc(OC)cc2)c1 223962459 GUIXSMHDHVGIEI-UHFFFAOYSA-N 355.478 4.295 0 40 FIAB Cc1ccc(OCCNC(=O)CCc2ccc(Cl)cc2)cc1Cl 224190819 YBZWMORJBJKAEO-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(Cl)c1 224326942 QHQVPFHLRHFUNB-UHFFFAOYSA-N 360.841 4.131 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2cccc(C)c2)cc1 224439165 ITMILUSRBLQELK-OAQYLSRUSA-N 355.478 4.300 0 40 FIAB Cc1cc(C)n(-c2ccc(CCC(=O)NCCC3=CCCCC3)cc2)n1 225604857 FVPPCINXJOTHPU-UHFFFAOYSA-N 351.494 4.428 0 40 FIAB Cc1cc(C)cc(NC(=S)NCCCN2CCc3ccccc3C2)c1 225742142 WKVLICYGKUYHMY-UHFFFAOYSA-N 353.535 4.038 0 40 FIAB CO[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1 253473817 YUMSZKOIDHPTKZ-GOSISDBHSA-N 361.800 4.272 0 40 FIAB CCOP(=O)(OCC)c1cc2c(nc1S)[C@H]1C[C@H]2[C@H]2CCC[C@@H]12 254450736 YVYSETWCPIFJKA-RNJOBUHISA-N 353.424 4.263 0 40 FIAB COCCN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 409146980 UUALAHWVICOTPY-GHRIWEEISA-N 355.415 4.162 0 40 FIAB Cc1nsc(C)c1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 568386741 NYLYHWQPNQJOQS-UHFFFAOYSA-N 352.463 4.212 0 40 FIAB COc1cccc([C@H](OC)C(=O)NC(C)(C)c2nc3ccccc3s2)c1 585124033 ACSNXBMWVWTURU-KRWDZBQOSA-N 370.474 4.044 0 40 FIAB c1ccc(-c2cnc(Nc3cc(C[C@@H]4CCCNCC4)ncn3)s2)cc1 585263459 ZSVJHJNQIXYVPK-OAHLLOKOSA-N 365.506 4.276 0 40 FIAB Cc1nc(C)c(C(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)s1 654203128 OACCJQOAZMSFIO-UHFFFAOYSA-N 356.369 4.078 0 40 FIAB O=C(N[C@H]1COc2c(Cl)cccc21)c1occc1COc1ccccc1 675116130 ZYAYAXBYKHBUGR-KRWDZBQOSA-N 369.804 4.376 0 40 FIAB CCOC(=O)Nc1ccc(NC(=O)C[C@@H]2CCc3sccc3C2=O)cc1 1333733608 HMICRPRPLPFDTG-LBPRGKRZSA-N 372.446 4.090 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565520197 IQNNQQAURCUYRZ-HOTGVXAUSA-N 373.884 4.089 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)c1 10964414 WCCOKZQCEMAVRH-LLVKDONJSA-N 374.487 4.433 0 40 FIAB COc1ccc(CN(C)CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 7652987 RGFQYRFLUHEJGY-INIZCTEOSA-N 370.518 4.045 0 40 FIAB C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2-c2ccccc2)C1=O 1361781 AADKNDFRFFAYNF-MRXNPFEDSA-N 372.424 4.106 0 40 FIAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc(Cl)c4)sc3nc12 2466904 KLHFRMPDRGKMLG-UHFFFAOYSA-N 369.833 4.123 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)CCOc1ccc(C(C)(C)C)cc1 6033204 SLQDMUDEYIEKPN-UHFFFAOYSA-N 369.461 4.243 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)c1 7382024 PVPHITLFQBHGHF-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(Cl)cc1 7608667 FDCRAHBJROTEBH-LLVKDONJSA-N 368.658 4.186 0 40 FIAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20746121 KXIDTNYDLAWSDN-INIZCTEOSA-N 366.808 4.375 0 40 FIAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c(C)c1 8325403 YLJJKLKKURTNQY-SFHVURJKSA-N 358.869 4.350 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CCCOc2ccc(C)cc2)c1C 10443795 MMCSVVMKCFMYDR-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB Cc1ccc(C)c(N2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)c1 2512743 IPRWIYZDJMFHPX-UHFFFAOYSA-N 362.517 4.464 0 40 FIAB CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102614747 GKYRNMLGRCUZSL-HZVDNRATSA-N 369.461 4.098 0 40 FIAB O=C(CCCc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 32913195 BLGJXYLAKKPVKB-UHFFFAOYSA-N 371.531 4.029 0 40 FIAB CCc1nc2ccccc2n1C[C@H](O)COc1cc(C)ccc1C(C)C 644763 BVGDFAQAUWHIQE-KRWDZBQOSA-N 352.478 4.470 0 40 FIAB Cc1nc(NC(=O)c2cc3c(F)cccc3s2)sc1-c1nccn1C 22762239 HVSAZFGCTGRTPR-UHFFFAOYSA-N 372.450 4.458 0 40 FIAB Cc1ccsc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 23040231 NYRHJSUNEDVEMJ-UHFFFAOYSA-N 354.431 4.174 0 40 FIAB Cc1cccc(C(=O)Nc2cc(C)c(I)c(C)c2)c1 21595735 GYRZECZGMZLHPY-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCc1ccc(Cl)cc1 8078108 AJGPPYXLYIZKFP-UHFFFAOYSA-N 367.880 4.174 0 40 FIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 952121 YRKNYYNGUXJQAP-RMKNXTFCSA-N 364.228 4.497 0 40 FIAB Cc1ccccc1CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 20482205 FONQMRIRFBFSNG-UHFFFAOYSA-N 353.443 4.266 0 40 FIAB Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)o1 1428725 DAKHMUKXJVMHLS-UHFFFAOYSA-N 354.840 4.166 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(Oc3cnccn3)cc2)cc1F 56156453 BLYXBGPDHPIXRZ-AWEZNQCLSA-N 366.396 4.156 0 40 FIAB CCCCCC[C@@H](C)NC(=O)CS(=O)(=O)[C@H](C)c1ccccc1Cl 58196382 AWQCUMKBSRJORF-HUUCEWRRSA-N 373.946 4.291 0 40 FIAB Cc1[nH]c2ccc(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2c1C 27603025 OUYIDAOMLZUTGI-LJQANCHMSA-N 367.518 4.413 0 40 FIAB CCOc1cc2c(cc1CNCc1c[nH]nc1-c1cccs1)O[C@H](C)C2 12530343 KFLFXVVMWWNECL-CYBMUJFWSA-N 369.490 4.150 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2c(-n3cccc3)sc3c2CCC3)c1 36360734 PFJOTVFXHHIZDV-UHFFFAOYSA-N 365.458 4.238 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1 12612229 FNIZFBQKRHEVOZ-KSFYIVLOSA-N 360.457 4.285 0 40 FIAB Cc1sc2nc(CN3CCC(C)CC3)[nH]c(=O)c2c1-c1ccccc1 3336983 VTRNVWPISCXKIX-UHFFFAOYSA-N 353.491 4.192 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 3339302 FWMMAEHMVZSNBR-UHFFFAOYSA-N 364.445 4.190 0 40 FIAB CC(C)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccco1 48364259 BYWDMOILRGHNEU-UHFFFAOYSA-N 361.442 4.353 0 40 FIAB CN(C)c1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 16915067 CRVQJFUWDIOMSY-UHFFFAOYSA-N 364.840 4.279 0 40 FIAB COc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1Cl 12916638 WIURFVGWKUIBKU-UHFFFAOYSA-N 350.827 4.011 0 40 FIAB C[C@@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 12951605 LWPAOEPSIWUBML-ZDUSSCGKSA-N 370.453 4.123 0 40 FIAB c1cncc(CN2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 306145146 ZZJAFHKAMKZMKH-HXUWFJFHSA-N 355.445 4.128 0 40 FIAB CC(C)c1ccc(-c2nnc(NC(=O)N3C[C@H](C)OC(C)(C)C3)s2)cc1 65464088 XZENZQWVCUPAJB-ZDUSSCGKSA-N 374.510 4.360 0 40 FIAB O=C(CCc1nc(-c2ccsc2)no1)Nc1cccc(C(F)(F)F)c1 14140745 DQMNJHDZMORVOL-UHFFFAOYSA-N 367.352 4.388 0 40 FIAB COc1ccc(C(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 4570731 ISYZAGAPUZPZMX-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB biogenic CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccccc2)o1 5501137 NBBAUFIORHNARV-AWEZNQCLSA-N 361.467 4.434 0 40 FIAB Cc1nc(S[C@@H](C)C(=O)NCc2ccco2)c2c(C)c(C)sc2n1 4799383 BJKQRFSWHSGARV-NSHDSACASA-N 361.492 4.007 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2cn3ccsc3n2)cc1 8720090 MVXNPLSLBJQSNN-SFHVURJKSA-N 369.490 4.091 0 40 FIAB Cc1cccc2c(=O)[nH]c(CSc3nc(C4CC4)nc4ccccc34)nc12 8937207 TXMFOWCOEDCVEO-UHFFFAOYSA-N 374.469 4.344 0 40 FIAB COc1ccc(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1OC 29240557 SWSREPZOPUSQTE-LLVKDONJSA-N 353.340 4.214 0 40 FIAB COc1ccccc1Oc1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)cc1 9322526 ZOMORJMAIITTQH-CQSZACIVSA-N 367.405 4.223 0 40 FIAB C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)c1nc(C(C)(C)C)cs1 93792399 CRPOUECHAOHKTF-LBPRGKRZSA-N 361.486 4.409 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2ccc([S@](=O)C(C)C)cc2)cc1 72300988 JADFCGQNGMJSNF-SANMLTNESA-N 373.474 4.022 0 40 FIAB CC(C)Oc1ccc(-c2nc(C(=O)NC[C@H]3CCO[C@@H](C)C3)cs2)cc1 95457831 CGPWLFVAUIFPMA-GJZGRUSLSA-N 374.506 4.142 0 40 FIAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1 409235778 BNWHURDVQDZGDT-ZHACJKMWSA-N 351.324 4.375 0 40 FIAB O=C(CSCc1ccccc1)NCC1CCN(Cc2cccs2)CC1 38584538 WTVYWRHDJQOXMG-UHFFFAOYSA-N 374.575 4.010 0 40 FIAB Cc1cc(NC(=O)N2CCc3c(F)cc(F)cc3[C@@H]2C)cc2n[nH]cc12 501381910 OKDROJVHGVDBDF-NSHDSACASA-N 356.376 4.301 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314156 PTMWLTHWYQOOCG-ZBFHGGJFSA-N 357.523 4.208 0 40 FIAB Cc1ccc(Cn2ccc(NC(=O)Cn3c(C)cc4ccccc43)n2)cc1 72243189 KAHNPRZTNULNGD-UHFFFAOYSA-N 358.445 4.142 0 40 FIAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3cccc(F)c3)c2s1 32616359 NCBKOGRIUMXJOS-UHFFFAOYSA-N 357.435 4.077 0 40 FIAB CC(C)(C)Nc1nnc(SCc2noc(-c3ccsc3)n2)s1 32908198 JNDOWHBWYKTMGB-UHFFFAOYSA-N 353.498 4.152 0 40 FIAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccccc2)C1 72350489 SBLYEULJBGYGKP-IBGZPJMESA-N 361.493 4.165 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CC1 222910085 WWMRMMXGLSOUAL-WOJBJXKFSA-N 368.550 4.463 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1nnc(SCC(C)C)s1 225811214 NTHWYSMVRGTSTO-LBPRGKRZSA-N 369.487 4.221 0 40 FIAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346522 BLTFYAQASSFZCT-OAQYLSRUSA-N 366.505 4.329 0 40 FIAB Cc1ccc(C)c(NC(=O)CNc2ccc(NC(=O)CC(C)C)cc2)c1 40051279 HTGQDYBEEFVTSM-UHFFFAOYSA-N 353.466 4.339 0 40 FIAB CC(C)(C)c1ccccc1OCCNC(=O)COc1ccccc1Cl 223704006 QBWNDSHZWBTFAR-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB Cc1cc(CN2CCC(CNC(=O)Cc3ccccc3Cl)CC2)c(C)o1 43972567 VVXUPNUERCBFSD-UHFFFAOYSA-N 374.912 4.121 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)COc1ccc(C)cc1 222970131 CJXUGZKAGHCOAK-UYAOXDASSA-N 355.478 4.353 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(F)cc2)ccc1Cl 225473066 UGJBZCFDCPXTRT-SNVBAGLBSA-N 366.845 4.313 0 40 FIAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 42645608 IFVBOKLYSPHTPZ-ZDUSSCGKSA-N 360.841 4.321 0 40 FIAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)cc1 224197843 HWVHDYQHJDMRJU-UXHICEINSA-N 362.502 4.214 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(c2ccsc2)CC1 75157165 XAVDCKWSVOAWNQ-UHFFFAOYSA-N 359.875 4.109 0 40 FIAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NC2CCCCC2)n1 225203366 SCBKASXWHZIAOK-UHFFFAOYSA-N 359.474 4.287 0 40 FIAB O=C(O[C@H](c1ccccc1)c1nccs1)c1ncoc1-c1ccco1 92018945 YQYBYPJHXQSQFD-OAHLLOKOSA-N 352.371 4.338 0 40 FIAB Cc1ccc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3C)s1 96061334 VIVRIEMPWHCNKR-LJQANCHMSA-N 354.519 4.037 0 40 FIAB CCCNC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154366 IASHXWFUQGQYPD-UHFFFAOYSA-N 353.403 4.351 0 40 FIAB CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCCN2)n1 257281165 ONXOUKGJUVUQTQ-HNNXBMFYSA-N 350.388 4.043 0 40 FIAB O=C(c1ccc2ccccc2n1)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257300298 RTTXEZOVBHEPNJ-KPLVRAHFSA-N 358.441 4.164 0 40 FIAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CC2(CCOCC2)[C@H]1C1CC1 584215052 UUOLUDOYHHHSSI-HXUWFJFHSA-N 363.461 4.172 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257307494 SYWGCDUSZKRLEK-SFHVURJKSA-N 367.836 4.291 0 40 FIAB CO[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1C 96105002 SFFDSYACCMLLPE-GOSISDBHSA-N 361.869 4.310 0 40 FIAB O=C(Cc1cccc(Cl)c1)Nc1ccc(I)cc1 52944755 QOWDRQSVUMESSN-UHFFFAOYSA-N 371.605 4.126 0 40 FIAB Cn1ccnc1-c1cnc(NCc2ccc(Cl)cc2)nc1-c1ccco1 12087740 GLYZLRCHDADNEQ-UHFFFAOYSA-N 365.824 4.403 0 40 FIAB O=C1C[C@H](c2ccccc2)c2cnn(-c3ccc(Br)cc3)c2N1 14000803 PQBGVEMZNAHPJR-OAHLLOKOSA-N 368.234 4.109 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 15796887 KPQORZDJBNDBSG-XOBRGWDASA-N 356.466 4.108 0 40 FIAB Cc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccccc2)c2ccccc12 16807286 WHWLXRYCCQWADQ-UHFFFAOYSA-N 369.424 4.473 0 40 FIAB Cc1cc(C(C)(C)C)ccc1OC(=O)Cc1csc(N2CCCC2=O)n1 19310161 LMZZKMNEVDOLEN-UHFFFAOYSA-N 372.490 4.024 0 40 FIAB CCc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(C(=O)OC)=C2C)cc1 8085603 FWGDPYWJOICKSJ-UYRXBGFRSA-N 365.404 4.265 0 40 FIAB Cc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c1 5136217 QEJQGKSAALBUSY-UHFFFAOYSA-N 360.413 4.433 0 40 FIAB C[C@@H]1CCCN(c2c(S(=O)(=O)c3ccccc3)cnc3ccccc23)C1 22573687 XOVBKZBVGWRUQU-MRXNPFEDSA-N 366.486 4.304 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1nc2ccccc2s1 1775966838 FQALHHBWOBINGQ-GFCCVEGCSA-N 370.455 4.081 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)c1ccc2ccccc2c1 23238073 ZQXHBMVPHNNJHO-UHFFFAOYSA-N 351.471 4.380 0 40 FIAB Cn1cc(CC(=O)N2CCS[C@@H](c3ccccc3)CC2)c2ccccc21 208039472 LZUWQIYWABUBPH-OAQYLSRUSA-N 364.514 4.428 0 40 FIAB CCOc1ccc2ccccc2c1C(=O)NC[C@@](C)(O)Cc1ccsc1 618255237 NVLVNDPYJRJBLN-NRFANRHFSA-N 369.486 4.024 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1ccc(-c2ccco2)cc1 585147926 IFXKECYHDQWHDA-IBGZPJMESA-N 369.848 4.382 0 40 FIAB Fc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCCCCC2)cc1 883961 JEYJRCRLRCBXGD-LJQANCHMSA-N 357.477 4.283 0 40 FIAB CC[C@@H]1CCc2nc3sc(C(=O)NCc4ccccc4)c(N)c3cc2C1 968843 QRPBJKQGLAQFCC-CYBMUJFWSA-N 365.502 4.323 0 40 FIAB COc1ccccc1/C=C1/N=C(c2ccccc2)N(Nc2ccccc2)C1=O 1824604 WLMZVLAGJWOACM-CAPFRKAQSA-N 369.424 4.352 0 40 FIAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 1919012 UYNAWELMISVPGK-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1 2626673 ZZBLCHKCRRZHNF-UHFFFAOYSA-N 365.487 4.387 0 40 FIAB O=C(/C=C/c1ccco1)Nc1ccc(Br)cc1Br 3190704 PGZYNWIGDXJQJX-GQCTYLIASA-N 371.028 4.457 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@H](C)c3ccccc3)c2c1C 3260945 INOUGAMZXKDHMS-GFCCVEGCSA-N 357.504 4.278 0 40 FIAB CC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1 3270465 ZKHVKJCUWBLJOJ-UHFFFAOYSA-N 359.853 4.111 0 40 FIAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OC(=O)c1ccco1 3378074 FJLKFDOOASDACZ-RVDMUPIBSA-N 361.353 4.000 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)Nc2nc3ccc(F)cc3s2)cc1 3560613 GZZNFQBKVYSYAN-UHFFFAOYSA-N 372.421 4.436 0 40 FIAB COc1ccccc1Nc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2 3984106 LVBBOPJVYLDPNJ-UHFFFAOYSA-N 368.392 4.492 0 40 FIAB biogenic COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)cc1OC 4194571 QSVMZPTXYNRPSN-QGZVFWFLSA-N 358.825 4.055 0 40 FIAB CCc1cc2cc3c(cc2nc1SCC(=O)N1CCCC[C@H]1C)OCO3 4849526 JHORDIJUSRQXNU-CYBMUJFWSA-N 372.490 4.019 0 40 FIAB Cc1ccc(N2CCN(c3ncnc4c3[nH]c3cc(C)ccc34)CC2)c(C)c1 5156167 BDTRSUVCIOYMHB-UHFFFAOYSA-N 371.488 4.363 0 40 FIAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)OC 5180327 SGGPCQWSRYAYMP-KDOFPFPSSA-N 356.422 4.188 0 40 FIAB Cc1cccc(Cn2cccc(C(=O)Nc3cc(Cl)ccc3C)c2=O)c1 5269722 PATUSLYIKUVFAQ-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccn1 5692687 CMYDVQLUKLXTHK-NRFANRHFSA-N 356.381 4.344 0 40 FIAB COc1cc(OC)c(NC(=O)COc2ccc(Cl)cc2)cc1Cl 6259295 PJOLIOMYGFQOFW-UHFFFAOYSA-N 356.205 4.028 0 40 FIAB Cc1cc2oc(=O)cc(CN3C(=O)c4ccccc4C3=O)c2cc1C(C)C 6383838 AKXNKMQFLKEJCU-UHFFFAOYSA-N 361.397 4.021 0 40 FIAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc(Cl)c1 6969941 DJVRXBUIHZPCQE-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB CN(C)C1(CNC(=O)c2ccc(COc3ccccc3)cc2)CCCCC1 7777825 BRIGMNGTFVJBKD-UHFFFAOYSA-N 366.505 4.260 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 7849993 BKOZXBZXPXVMLJ-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(=O)c2ccccc2o1 7986711 RWANCWGXXXXSRZ-UHFFFAOYSA-N 362.212 4.372 0 40 FIAB Cc1c(C(=O)NCc2ccccc2CN2CCCC2)oc2c(F)cccc12 8076381 KHPVKQAGIRKRPR-UHFFFAOYSA-N 366.436 4.406 0 40 FIAB c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cc1 8146809 UTGLTRXTYZSAJD-UHFFFAOYSA-N 374.469 4.257 0 40 FIAB CCOCCCNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 8253177 UXOQDUXLEXAZSH-UHFFFAOYSA-N 363.885 4.444 0 40 FIAB S=C1NC(c2cccs2)=C[C@@H](c2ccc(Br)cc2)N1 8683729 QGFRSHALIWYLOH-NSHDSACASA-N 351.294 4.071 0 40 FIAB aggregator Cc1cc(C)cc(-c2nnc(S[C@H](C)C(=O)NC3CCCCC3)o2)c1 9691932 OWWFFZGVEIYJPZ-CQSZACIVSA-N 359.495 4.283 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1OC(C)C 10473211 NIHKSIQQKHCSHA-UHFFFAOYSA-N 354.450 4.256 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CCCN(c2cnc3ccccc3n2)C1 12414718 DGDHSVGNYXFSQQ-QGZVFWFLSA-N 360.461 4.047 0 40 FIAB CCOCCCN1COc2ccc3cc(-c4ccccc4)c(=O)oc3c2C1 12442489 MZELKWKXAZCPNF-UHFFFAOYSA-N 365.429 4.039 0 40 FIAB biogenic COc1ccc(OCCSCc2nc(-c3ccc(F)cc3)no2)cc1 12790285 KXVFGWCVMOCLTG-UHFFFAOYSA-N 360.410 4.197 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1Cl 12801707 JOCHMAPOIOHPOO-INIZCTEOSA-N 355.240 4.165 0 40 FIAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 13074164 FYVZHTSKSYIISG-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccccc1Br 13858131 VIDIZEXDIJTHGH-UHFFFAOYSA-N 357.207 4.060 0 40 FIAB Cc1cc(C)c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 14426567 UFNYOXAIXGCYCP-UHFFFAOYSA-N 365.882 4.068 0 40 FIAB Cc1ccc(OCC(=O)NCc2csc(-c3ccc(C)cc3)n2)cc1 15832489 PAVIGNIZHNXANN-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB COc1cccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)c1 15838664 IQLYEXRGSYFZDX-UHFFFAOYSA-N 357.793 4.285 0 40 FIAB Cc1nccn1C[C@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 19659005 IOOQUEHIILYDRO-INIZCTEOSA-N 354.885 4.305 0 40 FIAB Cc1cc(C(F)(F)F)nn1CCNC(=O)Nc1cccc2ccccc12 20606793 FVNHEBUFIBOHSO-UHFFFAOYSA-N 362.355 4.185 0 40 FIAB O=C1c2ccccc2C(=O)N1CCCOc1cccc(Cl)c1Cl 24696882 JRYVJLPXJKYZNJ-UHFFFAOYSA-N 350.201 4.059 0 40 FIAB CC1(C)Cc2cc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)ccc2O1 25767164 OBJZXSPECDILRM-UHFFFAOYSA-N 363.457 4.101 0 40 FIAB Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c(C)n1-c1cccnc1 30586111 FJODHMZJIYZBLC-ZDUSSCGKSA-N 355.388 4.258 0 40 FIAB O=[S@](CCSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 32931598 QJIYTGOLROKRFC-VWLOTQADSA-N 369.515 4.045 0 40 FIAB O=C(CCCn1nnc(-c2c[nH]c3ccccc23)n1)c1ccc(Cl)cc1 35315579 YFJRYQCVZQDOOM-UHFFFAOYSA-N 365.824 4.138 0 40 FIAB Cc1nc2cc(NC(=O)Cc3csc(-n4cccc4)n3)ccc2s1 36708383 ZUQXFDMNXZUFQE-UHFFFAOYSA-N 354.460 4.033 0 40 FIAB Cc1ccc2ncn(Cc3ncc(-c4cccc(Cl)c4)o3)c(=O)c2c1 40117016 RPNDLQUYYHHAEI-UHFFFAOYSA-N 351.793 4.062 0 40 FIAB Cc1ccccc1CN(CCCn1ccnc1)Cc1ccc2c(c1)CCO2 43277696 QOGZAGJHEPVOAS-UHFFFAOYSA-N 361.489 4.219 0 40 FIAB COc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)c1 51315623 OJZLWRAVEXEDEU-UHFFFAOYSA-N 361.323 4.356 0 40 FIAB CC(C)c1nnc(S[C@@H](C)c2nc(C3CC3)no2)n1Cc1ccco1 53665805 NDFQCBHCNWCQMX-NSHDSACASA-N 359.455 4.157 0 40 FIAB COc1ccc(CNC(=O)c2cnc(-c3ccccc3Cl)s2)cc1 58432952 GDHGZVYBNWUPDO-UHFFFAOYSA-N 358.850 4.402 0 40 FIAB COc1ccccc1-c1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)[nH]n1 60209036 OYNQNLKFIODYQX-LBPRGKRZSA-N 371.824 4.145 0 40 FIAB COc1ccc(CCCNC(=S)Nc2ccc(C)c(C)c2)cc1OC 64936515 ZWCUSIIYHPPGCF-UHFFFAOYSA-N 358.507 4.240 0 40 FIAB O=C(O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(Br)c1 66144904 RDJCCDLUIFNEAD-UHFFFAOYSA-N 355.571 4.020 0 40 FIAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccc2c1OCCO2 67033880 XIKXEKNHYILGDR-MRXNPFEDSA-N 358.825 4.480 0 40 FIAB CC(=O)c1ccc(C(=O)N[C@@H](c2ccncc2)c2ccccc2C)s1 67773043 UFVOCOMQVCZPKI-IBGZPJMESA-N 350.443 4.174 0 40 FIAB Cc1ccc(C(=O)N2CCC(c3n[nH]c(=S)n3C(C)C)CC2)cc1C 68446776 MJYUUOZBCCDTEB-UHFFFAOYSA-N 358.511 4.158 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 69872615 VMLUBRSFYVWTAX-IEBWSBKVSA-N 357.837 4.016 0 40 FIAB O=C(c1cccc(OCc2cccs2)c1)N1CCCC[C@H]1c1ncc[nH]1 70006185 WRJDJYOWIWHBLC-SFHVURJKSA-N 367.474 4.418 0 40 FIAB CC[C@H]1C[C@@H](C)CN1C(=O)/C=C/c1cc(Br)ccc1OC 72305543 DCOUPGZGMSDIRM-ITPJJHHZSA-N 352.272 4.118 0 40 FIAB CC(C)c1nccn1-c1cncc([C@H]2CCCN2Cc2ccc(F)cc2)n1 72378654 WFSFZQVNUCOASK-LJQANCHMSA-N 365.456 4.262 0 40 FIAB C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 78827047 ALAUWBUHUYGSTE-MRVPVSSYSA-N 363.266 4.209 0 40 FIAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O 90450614 AZKTVSANDDIZDL-HOTGVXAUSA-N 367.832 4.251 0 40 FIAB Cc1nc2nnc3ccc(C(=O)Nc4cccnc4)cc3c2n1C1CCCC1 96146620 KWKDHGOKMGLSKW-UHFFFAOYSA-N 372.432 4.050 0 40 FIAB Cc1ncsc1CN1CCOC[C@@H]1c1csc(-c2ccccc2)n1 96219693 SQOWGDGPTBCBEN-MRXNPFEDSA-N 357.504 4.149 0 40 FIAB c1cncc(CN2CCC3(CC2)C[C@H](NCc2ccco2)c2ccccc23)c1 96241459 UKEWFGIFROVAKO-QHCPKHFHSA-N 373.500 4.443 0 40 FIAB Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(Cc2ccccc2)C1 96244646 VSFCFNWRFZXQNB-XMMPIXPASA-N 371.484 4.126 0 40 FIAB CC(C)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 96318817 SGSOCRIUXWLYEC-UHFFFAOYSA-N 359.420 4.442 0 40 FIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(SC(F)F)cc1)OC2=O 100260892 IHAZLNLKKPLWCB-IRXDYDNUSA-N 355.406 4.062 0 40 FIAB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101031588 KIUKGXGVAMHICG-BGYRXZFFSA-N 374.440 4.011 0 40 FIAB CN(CCCNC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 218935853 SNIRUOBTPRSIDO-UHFFFAOYSA-N 354.494 4.006 0 40 FIAB COc1cc(CNC(=O)CCc2ccccc2Cl)ccc1OC(C)C 220014356 PVDKLPDGQWNVKB-UHFFFAOYSA-N 361.869 4.385 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCc1ccc(F)cc1 222674463 OWTNOHCTWWTJAX-INIZCTEOSA-N 355.453 4.221 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1 222829420 FHCHGAJHGOJQDG-INIZCTEOSA-N 372.896 4.174 0 40 FIAB CCC(C)(C)NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 222832043 MUFFGUSLSXYAIG-LGMDPLHJSA-N 356.491 4.132 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccc2c(c1)CCCC2 223077499 ZUBVCWUGNVSGIU-FQEVSTJZSA-N 361.482 4.275 0 40 FIAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223403539 IDNHJJNIBNNSRW-UXHICEINSA-N 362.502 4.076 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225053336 XAGJMOXRQZNSSN-QGZVFWFLSA-N 370.474 4.013 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(Cl)cc1 225094669 SQASQVIATZRPIB-HNNXBMFYSA-N 357.881 4.345 0 40 FIAB COc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 225317269 YEZGXSROXRHOQB-LJQANCHMSA-N 353.462 4.355 0 40 FIAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCC2)cc1 225512494 AZSGITSGBUPGSY-UHFFFAOYSA-N 366.505 4.386 0 40 FIAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574177 QRPGOSBXSXZFEW-UHFFFAOYSA-N 374.887 4.350 0 40 FIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N(C)Cc2ccccc2F)n1 225915906 AZMITIRAMMPEMG-UHFFFAOYSA-N 364.424 4.248 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCCc1cnc(-c2ccccc2)nc1 245173966 YEJMARNSBKTSSB-UHFFFAOYSA-N 363.848 4.169 0 40 FIAB CC(C)(C)OC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N[C@H]2Cc1ccccc1 257312911 UQDROTUVGPVJDD-KSSXRGRSSA-N 356.510 4.138 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3CCC[C@H](C)C3)nc2)cc1 260692635 MHOYIOJQGZPDEZ-INIZCTEOSA-N 354.523 4.113 0 40 FIAB Cc1ccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C)CC3)C2)s1 306143346 XZWAEMKINJUHQX-UHFFFAOYSA-N 372.582 4.122 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1CC 408564529 ZCLSAYYJVJOQMS-UHFFFAOYSA-N 352.891 4.025 0 40 FIAB Cc1cnccc1N1CCC(C(=O)Nc2cccc3ccc(O)cc23)CC1 542090699 NAWJYMCCBXTQED-UHFFFAOYSA-N 361.445 4.104 0 40 FIAB Cc1ccc(Nc2nc([C@H]3CCCN3Cc3cncs3)cs2)nc1 1848353806 UEADVZURFXNRPG-OAHLLOKOSA-N 357.508 4.384 0 40 FIAB COC(=O)C(OC(=O)c1ccccc1)=C1c2ccccc2-c2ccccc21 990217 JGRBNSARJMEZEG-UHFFFAOYSA-N 356.377 4.456 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(c1ccc(F)cc1)CO2 2407196 BHWRDCOPBDDNNG-UHFFFAOYSA-N 365.404 4.476 0 40 FIAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)NCCC1=CCCCC1 2644900 APQCJONPGIPDLQ-INIZCTEOSA-N 351.446 4.392 0 40 FIAB COc1ccccc1NC(=O)c1cccc(COCC(F)(F)C(F)F)c1 2752994 GONBQABWICZMLS-UHFFFAOYSA-N 371.330 4.365 0 40 FIAB C[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccc1 3296758 KHRFMXYTTWQCCP-JTQLQIEISA-N 363.788 4.398 0 40 FIAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1 3324027 WFAZXEWVHDOIAC-NSHDSACASA-N 368.424 4.285 0 40 FIAB Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@@H]3C4)n2)cc1C 4164381 ZBWKEBXHQPHRIQ-WTTBNOFXSA-N 370.474 4.112 0 40 FIAB COc1ccc2nc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)[nH]c2c1 4273997 RKTPFZRZXXYKNG-VXGBXAGGSA-N 373.453 4.069 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1F 4305471 XEAILEZWBJOISP-IBGZPJMESA-N 366.461 4.421 0 40 FIAB CCSCCC[C@H](CC[C@@H](CCCSCC)C(=O)O)C(=O)O 4721552 XKHASJBJOUTTIS-ZIAGYGMSSA-N 350.546 4.235 0 40 FIAB COc1ccccc1CNc1nc(-c2ccc3c(c2)OCCO3)cs1 5156708 JBQYSPQBGOHGOQ-UHFFFAOYSA-N 354.431 4.202 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1F 6060330 BEHLKGICYIXBFZ-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CCC2 6470876 YJLRXVQSMKWKOX-QMMMGPOBSA-N 357.262 4.345 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc2cc(O)ccc12 6815936 GACAOFXFNSXLNW-UHFFFAOYSA-N 370.861 4.255 0 40 FIAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc2c1OCO2 7363902 DZAVVSBKACENLB-NRFANRHFSA-N 374.396 4.195 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2c(C)noc2C(C)C)CC1 8139952 NPJKKCWUOFOVFN-UHFFFAOYSA-N 361.873 4.031 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc2ccccc12)c1cccc(F)c1 8216453 VUDMMVHCXIXDPV-QFIPXVFZSA-N 373.431 4.161 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3c(c2)OCCO3)on1 8830952 JOQSDXLMQAHWIF-UHFFFAOYSA-N 356.765 4.019 0 40 FIAB O=C(c1cn2ccccc2n1)N1CCc2sccc2[C@@H]1c1cccs1 9157036 RILGOKBNRFNHCJ-GOSISDBHSA-N 365.483 4.245 0 40 FIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 9235549 UXVRXABSKCEQQB-UHFFFAOYSA-N 365.260 4.372 0 40 FIAB Cc1ccc(Nc2nc(N)nc(CSc3ccc4c(c3)CCC4)n2)cc1 9637532 BISRKDSUYHHZAC-UHFFFAOYSA-N 363.490 4.287 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1ccccc1OCc1ccccc1 9917189 ZOFKKAGAWPCQAM-UHFFFAOYSA-N 374.484 4.257 0 40 FIAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccccc2)cc1 10213974 ZEZRFEYJQSXVCP-UHFFFAOYSA-N 368.462 4.035 0 40 FIAB O=C(Nc1cccc2ccccc12)N1CCC[C@@H](c2nnc3ccccn23)C1 11009040 VRLQVYZODVYABK-QGZVFWFLSA-N 371.444 4.294 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cccnc1SCc1cc(C)on1 12567682 CXFJIOGFYRMLOU-UHFFFAOYSA-N 369.446 4.240 0 40 FIAB Cc1cc2oc(=O)cc(CN(C)CCOc3ccccc3C)c2cc1C 12853927 WDEAKYCOLGOFEQ-UHFFFAOYSA-N 351.446 4.229 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cnn(Cc2ccccc2)c1 12875004 AQAGLQPTMKEVDK-UHFFFAOYSA-N 363.461 4.490 0 40 FIAB CSc1ccc(C)c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1 13005376 VVPPWCLXCLKGJJ-UHFFFAOYSA-N 356.491 4.011 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NCCN1CCCCCC1 13717064 IEDZMWJGYFOFHY-UHFFFAOYSA-N 350.506 4.201 0 40 FIAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccccc3)cc2)cc1 13899889 BOTRPLYVHLPFQH-UHFFFAOYSA-N 374.392 4.254 0 40 FIAB COc1ccccc1OCCNC(=O)CCSc1ccc(Cl)cc1 15380956 RETGDMPNIJHGDZ-UHFFFAOYSA-N 365.882 4.026 0 40 FIAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1cc(F)ccc1F 15394745 FSOILQOENVRUOX-SECBINFHSA-N 356.166 4.133 0 40 FIAB Cc1cc(O)nc(SC(=O)c2c(-c3ccccc3Cl)noc2C)n1 16283685 IBSPVEBZOALREF-UHFFFAOYSA-N 361.810 4.040 0 40 FIAB COc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 16807810 TYSSGZMSUAMYKT-UHFFFAOYSA-N 367.430 4.480 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17075558 AOMPVLFQSLWLJW-XNTDXEJSSA-N 368.392 4.139 0 40 FIAB CCCn1c(CN(Cc2ccccn2)C[C@H]2CCCO2)nc2ccccc21 19526001 PKAXSLWVTGFPSL-LJQANCHMSA-N 364.493 4.023 0 40 FIAB Brc1ccc2c(c1)C=C(c1nnc(-c3cccnc3)o1)C=CO2 20744746 DSGJBCVTZGRIOA-UHFFFAOYSA-N 368.190 4.341 0 40 FIAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2N2CCCC2)cc1 21158506 HQVQJPDSMCZKTH-UHFFFAOYSA-N 370.449 4.115 0 40 FIAB C[C@@H](c1cccs1)N(C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 22013504 SMTBTVYMXHZIMT-CVEARBPZSA-N 356.535 4.497 0 40 FIAB O=C(O)c1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1 23230530 VYSPWKZQRJWNHF-UHFFFAOYSA-N 366.247 4.008 0 40 FIAB CCc1c(C(=O)N(C)Cc2cccs2)cnn1-c1cccc(Cl)c1 24973976 QSJZRSHZUYVCNC-UHFFFAOYSA-N 359.882 4.422 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2cccs2)o1 27625915 BONCFIHGISEYJN-UHFFFAOYSA-N 363.442 4.432 0 40 FIAB Cc1ccc(C)c(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)c1 27666464 ORQFJAMIKSSKNH-HUUCEWRRSA-N 364.497 4.206 0 40 FIAB O=C(c1cccc(Cl)c1Cl)N1CCCN(Cc2cccs2)CC1 28037929 SWWNOFPILGOGIN-UHFFFAOYSA-N 369.317 4.403 0 40 FIAB O=C1C[C@@H](C(=O)N[C@H](c2cccs2)C2CCCC2)c2ccccc2N1 31803829 GCNAFNIASKYLCI-BEFAXECRSA-N 354.475 4.222 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)ccc1Br 32467962 GJIPGYNGAPTNJE-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB C[C@@H](NC(=O)N[C@H](C)c1ccccc1F)c1ccc(NC(=O)C2CC2)cc1 32794968 CRXBUWLQGNEBNA-ZIAGYGMSSA-N 369.440 4.296 0 40 FIAB O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1cccnc1Cl 33195122 NHWGADQIJRWHLJ-HTQZYQBOSA-N 374.712 4.374 0 40 FIAB CCCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)[C@@H]1O 33657848 YGVYDWADHKYSHH-ZKPZVSKHSA-N 358.522 4.443 0 40 FIAB Cc1ccc(SCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1C 34862890 AKCBDWSVKOBXER-ZVZYQTTQSA-N 363.523 4.022 0 40 FIAB CCn1cc(-c2cc(C(F)(F)F)nc(N3CCCCCC3)n2)c(C)n1 36618624 HFKFFSXANYKEEO-UHFFFAOYSA-N 353.392 4.068 0 40 FIAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(SC(F)(F)F)cc2)n1 40121530 KOXNNBSSHRPPKH-LLVKDONJSA-N 371.428 4.178 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccccc3nc2Cl)C1 40434377 VXFSYVUDPOPFKM-LBPRGKRZSA-N 363.845 4.062 0 40 FIAB CCCc1cc(=O)n2c3ccccc3n(Cc3ccc(Cl)cc3)c2n1 40484707 DPDUMZMTTFMGIT-UHFFFAOYSA-N 351.837 4.303 0 40 FIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 40946223 UJSDRLAFHDIMQO-MRXNPFEDSA-N 354.450 4.092 0 40 FIAB COc1cccc(OCCNC(=O)CCSc2ccc(Cl)cc2)c1 46736446 XCOFSBWSYXSLDM-UHFFFAOYSA-N 365.882 4.026 0 40 FIAB CNC(=O)c1ccc(NC(=O)N(C)Cc2cccc3ccccc23)c(C)c1 47541246 KHSSZUBEKGXVBV-UHFFFAOYSA-N 361.445 4.172 0 40 FIAB CCCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccc(F)cc1)C3 55393800 CBTPYBSUPNBRCY-UHFFFAOYSA-N 353.393 4.237 0 40 FIAB CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c(C)c1 55763639 RIAHLFJJVRJBLT-UHFFFAOYSA-N 366.392 4.396 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 56851811 FUJRHYVIMWWOQB-OLZOCXBDSA-N 366.383 4.392 0 40 FIAB CCSCCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 56979589 WULPADDISPFKAK-UHFFFAOYSA-N 352.843 4.267 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F 57315480 PXFXMWZVYMNUQS-NSHDSACASA-N 368.811 4.225 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)o2)cc1OC 58216934 BDTKRCWCFNDNSQ-LLVKDONJSA-N 374.418 4.019 0 40 FIAB CCC(CC)N(CCOC)C(=O)c1ccc(OCc2c(C)noc2C)cc1 59266179 GJXNYNMDGCDBQX-UHFFFAOYSA-N 374.481 4.148 0 40 FIAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1cccc(Cl)c1)CO3 61997690 LUSJHDKOJNYBFG-UHFFFAOYSA-N 355.821 4.415 0 40 FIAB biogenic C[C@@H](COCC(F)(F)F)Nc1nc(C(F)(F)F)nc2ccccc12 64114581 XAZYAVYWUIPFOO-QMMMGPOBSA-N 353.266 4.028 0 40 FIAB CC(=O)c1ccc(C(=O)N[C@H](c2ccncc2)c2ccccc2C)s1 67773042 UFVOCOMQVCZPKI-LJQANCHMSA-N 350.443 4.174 0 40 FIAB CC(C)(CNC(=O)c1cccnc1Sc1ccccc1)N1CCCCC1 69179645 KSYGULIEFCOGLA-UHFFFAOYSA-N 369.534 4.227 0 40 FIAB Cc1ccc([C@H](C)NC(=O)Nc2ccccc2CN2CCSCC2)o1 72049409 LSSFGGPGKXENSX-HNNXBMFYSA-N 359.495 4.020 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2Cc2ccc(F)cc2)n1 72354575 UMYSHBDMYOPEKU-LJQANCHMSA-N 366.415 4.341 0 40 FIAB Cc1cccc(CSCC(=O)NCC2(c3ccccc3)CCOCC2)c1 73955769 NYTKZYXUMIXBFL-UHFFFAOYSA-N 369.530 4.093 0 40 FIAB Cc1nn(C(C)C)c(C)c1NCc1cc(Br)c2c(c1)OCO2 95352910 MTDVXDPSEFWJSB-UHFFFAOYSA-N 366.259 4.184 0 40 FIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCc1c(C)nn(C)c1C 95480110 BDILRLPNOPBGGB-UHFFFAOYSA-N 374.897 4.052 0 40 FIAB O=S(=O)(c1sccc1Br)N(CC1CC1)c1ccccc1 95964430 JZXYDZKFRMOGSA-UHFFFAOYSA-N 372.309 4.116 0 40 FIAB Cc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)s1 96051131 AXSBCMQZYRDOKH-GOSISDBHSA-N 363.477 4.189 0 40 FIAB CCOc1ccc2cc(-c3cnc(OCC4CCNCC4)nc3)ccc2c1 96675128 GKBGCTMUMNEMPE-UHFFFAOYSA-N 363.461 4.074 0 40 FIAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccccc1F 223213795 MLBODMTYCFCLIZ-UHFFFAOYSA-N 355.837 4.210 0 40 FIAB Cc1cccc(CCCNC(=S)Nc2ccc(N3CCCC3=O)cc2)c1 225393224 NZHBONGTXMXSNC-UHFFFAOYSA-N 367.518 4.041 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3ccccn3)C2)o1 257341411 ZKEQYLGZLZVSLE-INIZCTEOSA-N 362.429 4.419 0 40 FIAB O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257344556 ZXUFRBPXLPFHSF-LJQANCHMSA-N 365.408 4.167 0 40 FIAB O=C1C[C@H](c2ccco2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524730308 FAMVYBPVUUZDHE-CYBMUJFWSA-N 374.348 4.200 0 40 FIAB biogenic O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(O)cc2)nc2ccccn12 524732009 SVDVIPSVXXEYEP-UHFFFAOYSA-N 370.364 4.186 0 40 FIAB biogenic CCO[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 529474479 XMDNLVGUOJRCSC-OAGGEKHMSA-N 374.308 4.127 0 40 FIAB O=C(c1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)Br 575360502 FBQRRJKSDULMBM-UHFFFAOYSA-N 351.040 4.094 0 40 FIAB O=C(O)[C@@]1(NCc2cnc(-c3ccsc3)s2)CCc2c(F)cccc21 580968038 WDHANKXSJHZGSS-GOSISDBHSA-N 374.462 4.027 0 40 FIAB Cc1nc(CO[C@@H]2CCN(c3c(C)cnc4c(C)cccc34)C2)cs1 585083208 AEAWHUZAWPOTBZ-QGZVFWFLSA-N 353.491 4.412 0 40 FIAB O=C(/C=C/c1ccco1)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 585291420 CSGYUKCVBFRXOG-FDMDGMSGSA-N 366.446 4.252 0 40 FIAB CCc1ccc([C@H]2CCCCCN2C(=O)c2ccnn2CC(F)F)o1 684051202 RHKPSFFIKUIOLH-CQSZACIVSA-N 351.397 4.061 0 40 FIAB CC(C)C[C@]1(C)CCCN1C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 1543968337 JAHJIZZKKRTNAA-KRWDZBQOSA-N 368.403 4.028 0 40 FIAB Cn1nc(C(F)(F)F)c2cc(-c3nnc(-c4ccccc4)o3)sc21 1389053 OBERJAXTQMFJBZ-UHFFFAOYSA-N 350.325 4.371 0 40 FIAB COc1ccccc1C(=O)Nc1cc(Br)cc2cccnc12 1424135 KZTGDGVMVJJLPB-UHFFFAOYSA-N 357.207 4.258 0 40 FIAB CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2)c1 2073539 LNFWMRMJDCJCEC-ZDUSSCGKSA-N 361.825 4.313 0 40 FIAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 3284717 JRTNRNLZAKTSOD-RMKNXTFCSA-N 364.228 4.497 0 40 FIAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 3510433 RCPQRXSNKHRFBL-LLVKDONJSA-N 368.658 4.359 0 40 FIAB CCOC(=O)C(=O)N1c2ccc(C)cc2[C@@](C)(c2ccccc2)CC1(C)C 4104254 FZXVVCWKDNBOQD-HSZRJFAPSA-N 365.473 4.379 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 4275375 BWWIKYBGGASXPD-RMKNXTFCSA-N 364.426 4.233 0 40 FIAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)Cc3ccccc3)sc2c1 4359397 SXHYBCAETMXRQK-UHFFFAOYSA-N 367.518 4.050 0 40 FIAB Cc1ccc(C)c(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1 4386811 AHGPQJOHPVKDGW-UHFFFAOYSA-N 373.456 4.267 0 40 FIAB CC[C@@](C)(Nc1ccccc1OC)c1nnnn1-c1c(C)cccc1C 4714370 JZHVWJCWPBTHRC-HXUWFJFHSA-N 351.454 4.025 0 40 FIAB CC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(C)cc1 4816668 WRIPGDPXSJINSC-MOPGFXCFSA-N 366.852 4.327 0 40 FIAB CC[C@H](C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1 4922979 RBHLJBAYXIMOJE-INIZCTEOSA-N 355.457 4.137 0 40 FIAB CSc1nc2n(n1)[C@H](C(C)C)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 4933007 HKYWCUIQOMWTPW-MRXNPFEDSA-N 371.510 4.152 0 40 FIAB CCCCn1c([C@@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 5026799 MUWWVUCOONIKDD-MRXNPFEDSA-N 363.461 4.366 0 40 FIAB Cc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 5411362 AVXNPELLJXLHMP-UHFFFAOYSA-N 359.425 4.309 0 40 FIAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1C1CC1 6544192 CZRUVBBFCSNNMM-UHFFFAOYSA-N 367.474 4.389 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3sccc3C)n2)c1 6566626 ADSLBKPPLKUGRT-UHFFFAOYSA-N 360.460 4.450 0 40 FIAB COc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1Cl 6811355 IHCPNRGKEOMTTH-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1ncccn1 6911692 NCDAAQYIWSCBIU-UHFFFAOYSA-N 369.490 4.196 0 40 FIAB CCCCc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 7063931 FQJRCIXJJIHUGB-UHFFFAOYSA-N 366.461 4.174 0 40 FIAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1C1CC1 7128557 LGUVONUSULHYIA-LJQANCHMSA-N 364.836 4.459 0 40 FIAB COc1ccc(CNC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OC 8111779 WNFJNMZEJSCNAJ-VQHVLOKHSA-N 365.351 4.052 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)NCc2cccc(Cl)c2)no1 8274196 GXPWLPORDAEZQS-UHFFFAOYSA-N 373.865 4.254 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1csc(-c2cccs2)n1 8313183 DKGWLDQEUVENJF-UHFFFAOYSA-N 358.444 4.285 0 40 FIAB COc1ccc(C(=O)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 8375226 MUPVXXAAYLTZDZ-UHFFFAOYSA-N 366.461 4.034 0 40 FIAB Cc1[nH]c(S[C@H](C)C(=O)NC2CCCCC2)nc1Cc1ccccc1 8719256 YBUNDSMIXDTLBE-OAHLLOKOSA-N 357.523 4.238 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 9064420 GMLVSPKTALWJJQ-HNNXBMFYSA-N 354.450 4.335 0 40 FIAB Cc1ccc2cc3c(NC(=O)c4ccccn4)nn(CC(C)C)c3nc2c1 9242482 VULVZGGCVPWNHJ-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCc2sccc2C1 10107406 XJLQUACJROXFSA-NSHDSACASA-N 370.396 4.032 0 40 FIAB O=C(CCc1ccccc1O)Nc1ccc2nc(N3CCCC3)sc2c1 10578323 WJRFEXSMDMIQHY-UHFFFAOYSA-N 367.474 4.173 0 40 FIAB COc1cc(C(=O)CSc2ccc3ccccc3n2)cc(OC)c1OC 10962550 BNXZCTAVHGDSPB-UHFFFAOYSA-N 369.442 4.236 0 40 FIAB O=C(c1cncc(Br)c1)N1CCC(CCc2ccccc2)CC1 11452546 IAYQHMIMQLBXIS-UHFFFAOYSA-N 373.294 4.329 0 40 FIAB Cc1cc(C)n(CCCC(=O)Nc2ccc3[nH]c4c(c3c2)CCCC4)n1 12195971 XNBMTVWDFAOHAR-UHFFFAOYSA-N 350.466 4.279 0 40 FIAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCCC[C@H]1C 12222791 UKEGAPQIEZMCKZ-MRXNPFEDSA-N 362.477 4.198 0 40 FIAB Cc1ccn(CCNCc2cc(-c3ccccc3)cnc2-c2ccncc2)n1 12233860 KVYRDJFFKLNKBW-UHFFFAOYSA-N 369.472 4.105 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CCCc2ccccc21 12548836 XNHWVPVYSMYBII-OAHLLOKOSA-N 373.378 4.249 0 40 FIAB COc1ccccc1CNC(=O)c1cc(C)n(Cc2cccs2)c1C 12608760 KJNYUNBWDLBCII-UHFFFAOYSA-N 354.475 4.153 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3nccs3)c2n1 12632112 FMTGIRMQJBLKDX-UHFFFAOYSA-N 368.245 4.324 0 40 FIAB O=C(Nc1nc(-c2ccccc2)n[nH]1)c1ccc(C2SCCS2)cc1 12686381 ZUTHWUCKOKSPHN-UHFFFAOYSA-N 368.487 4.203 0 40 FIAB COc1ccc(-c2csc(Cc3cn4ccccc4n3)n2)c(OC)c1 12737808 UPFBLFKSNPZIOK-UHFFFAOYSA-N 351.431 4.066 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(F)cc1Cl)c1ccccc1Cl 12787516 FTNIYMHUNOUKSO-INIZCTEOSA-N 355.240 4.165 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1C 13613742 PYCHHMQVXXLICU-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(F)cc1 14084060 TXVUHTFIZMEAAZ-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(F)cc3Cl)n2)C1 14161634 QTPVQQJZOQUVAS-NSHDSACASA-N 367.877 4.420 0 40 FIAB C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1 14260774 ZMFQDPITAGLCDZ-CJNGLKHVSA-N 356.853 4.108 0 40 FIAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc(OC)c1OC 15084977 YIMNOZNMIXZWDA-CYBMUJFWSA-N 373.474 4.127 0 40 FIAB CCOc1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 16722360 TUUVKNYEEYHZTD-UHFFFAOYSA-N 361.467 4.002 0 40 FIAB CCCCCCC(=O)Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O 18167077 WVTUIEPYZBDKPE-HZPDHXFCSA-N 357.450 4.242 0 40 FIAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN2Cc2ccnn2C)n1 19691992 ZMSHCSFFANIVCW-JOCHJYFZSA-N 364.468 4.191 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCCSCc1cccc(Cl)c1 20046178 NIWCQXQVSXKWSH-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 20238554 ODJBPWCOHXCUEX-MRXNPFEDSA-N 374.937 4.165 0 40 FIAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 20459923 XIHAXITYLMPANH-HXUWFJFHSA-N 355.434 4.202 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccc(OC)cc4)c3C2)cc1 20633093 PSYBHOPMCOZZTA-INIZCTEOSA-N 362.429 4.111 0 40 FIAB Cc1ccccc1CC(=O)Nc1nc(CN2C[C@@H](C)C[C@@H](C)C2)cs1 22294551 BZXKWEWNKSDYKR-GASCZTMLSA-N 357.523 4.111 0 40 FIAB Cc1ccc(-c2nc(CSc3nccc(C(F)(F)F)n3)no2)cc1 22977592 RBVNBRUOCNGXTQ-UHFFFAOYSA-N 352.341 4.146 0 40 FIAB Cc1cccc(OCCSCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 23412395 UUPFPBFDLXOUSK-UHFFFAOYSA-N 359.535 4.192 0 40 FIAB COc1cccc(CN(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)c1OC 23527440 ODWIZEQGMJHNCA-UHFFFAOYSA-N 352.434 4.074 0 40 FIAB c1ccc2[nH]c(CN3CCN(Cc4csc5ccccc45)CC3)nc2c1 25139621 LAJZHDANTCSSMY-UHFFFAOYSA-N 362.502 4.095 0 40 FIAB CCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)(C)C 27823418 YOVFRCXPELWFPQ-UHFFFAOYSA-N 353.528 4.338 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 30853597 HTPKQAGKYQSFRT-KKSFZXQISA-N 371.477 4.375 0 40 FIAB CCOc1cc(C(=O)NCc2cccs2)ccc1OCc1ccncc1 32064150 UGWLTKDIPMMDAX-UHFFFAOYSA-N 368.458 4.051 0 40 FIAB Cc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(Cl)nn2)cc1C 32097324 JMVQHCYALHZWBT-AWEZNQCLSA-N 367.840 4.365 0 40 FIAB Cc1ccc2nc3c(c(C(=O)Nc4ccc(N(C)C)nc4)c2c1)CCCC3 32883908 NKQCELVYOLWKFV-UHFFFAOYSA-N 360.461 4.135 0 40 FIAB C[S@](=O)c1ccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1 33215974 BHVLJGHZIJNGSX-RUZDIDTESA-N 356.447 4.115 0 40 FIAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccccc1F 36620821 HYFAAPTVEUYSHJ-INIZCTEOSA-N 357.809 4.144 0 40 FIAB O=C(c1ccc(Cl)s1)N1CCC(c2nnc(C3CC3)s2)CC1 38666600 SSHAJELSQAWMCN-UHFFFAOYSA-N 353.900 4.150 0 40 FIAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H](c1cccs1)C1CCCC1 40093587 WFRPXIGQIBVCIK-MJXNMMHHSA-N 357.475 4.324 0 40 FIAB CC(C)c1ccc(OCCOC[C@@H](O)CNC(C)(C)CC(C)(C)C)cc1 40373287 OQLJSNIIWHCTRD-IBGZPJMESA-N 365.558 4.371 0 40 FIAB O=C(Nc1cccc(C(=O)Nc2ccc3ccccc3n2)c1)c1cccnc1 43832245 GSNIGTYGXULVHD-UHFFFAOYSA-N 368.396 4.134 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 44884844 KSRKYKDZUVCRHQ-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Cc1nc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cs1 45101295 UROWESMDNGQOOI-UHFFFAOYSA-N 357.435 4.077 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)OC)cc2)cc1 57471784 UOHKDEQHASAGEB-UHFFFAOYSA-N 370.405 4.074 0 40 FIAB O=C(Nc1ccc(OCC(F)(F)F)nc1)C12CC3CC(CC(C3)C1)C2 58954225 DMNFWMFELJQAFL-UHFFFAOYSA-N 354.372 4.178 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 65879160 GRZVJXKIVBKOEP-BUHFOSPRSA-N 356.853 4.474 0 40 FIAB Cc1cc(-c2cnc(NCc3ccncc3)nc2-c2ccc(C)s2)on1 72337396 LJMFADMUEICOMG-UHFFFAOYSA-N 363.446 4.484 0 40 FIAB O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349389 VATMCTHLTOJGPW-UHFFFAOYSA-N 371.484 4.016 0 40 FIAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2Cc2ccccc2)c1 72376756 RPFSYONGQSZTKE-OAQYLSRUSA-N 374.488 4.462 0 40 FIAB C[C@@H](O)C1CCN(C(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)CC1 80369550 CGVLHOYIZKIAOX-OAHLLOKOSA-N 355.478 4.477 0 40 FIAB Cc1ccc(C(=O)COC(=O)c2c(-c3ccc(F)cc3)noc2C)s1 84205092 IXRLMCWTAPAWLG-UHFFFAOYSA-N 359.378 4.199 0 40 FIAB CC(C)NC(=O)N1CCC[C@H](C(=O)Oc2ccc(Cl)c3ccccc23)C1 95350647 IHXAGDSTTCYHBP-AWEZNQCLSA-N 374.868 4.229 0 40 FIAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2cccc3[nH]ccc23)cc1 95476726 FIJYLYLJUNXOTI-UHFFFAOYSA-N 365.433 4.445 0 40 FIAB Cc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)cc1Cl 100862853 HEGZJWFHPJEGOZ-SNEKZUEESA-N 370.884 4.174 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2csc(C)n2)c1 120184744 ZSLLXFLLFGAJFM-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cn3ccccc3n2)o1 173621189 JWWISFHBAOWWIU-YJBOKZPZSA-N 351.450 4.032 0 40 FIAB COc1ccc([C@H]2CCCCN(C(=O)COCc3ccccc3)C2)cc1 206886331 AWXFSYAGDPIFSN-FQEVSTJZSA-N 353.462 4.008 0 40 FIAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218956872 HIWUUIQVAPEMPB-LJQANCHMSA-N 353.462 4.355 0 40 FIAB Cc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1 222627891 ROLMRPHXLSYYBX-UHFFFAOYSA-N 350.462 4.111 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(C)c1C 223004635 XGTHEDKHDNWGMY-INIZCTEOSA-N 373.518 4.230 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223325528 QKYXMBMEMNEXCN-MRXNPFEDSA-N 369.446 4.010 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223658612 RLXOSCNIRMPYKY-HXUWFJFHSA-N 355.478 4.337 0 40 FIAB CCOc1ccc(CCC(=O)Nc2cccc(COC)c2)cc1OCC 224395185 WNMDWUVDKBCXOW-UHFFFAOYSA-N 357.450 4.202 0 40 FIAB COc1ccc(NC(=S)NCCCSCc2ccccc2C)cn1 225602411 HKDDGZTZGIPFIE-UHFFFAOYSA-N 361.536 4.009 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225754806 DIUMETUPODFINM-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB CCCCOc1ccc(NC(=O)[C@](C)(CC)OCCC)cc1C(=O)OC 225838677 SUKZDIPXFXMATN-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB O=C(NCc1ccc(-c2n[nH]cc2-c2ccncc2)cc1)[C@H]1CC=CCC1 257328924 XHQMJWXKNILMHN-IBGZPJMESA-N 358.445 4.111 0 40 FIAB CCn1c(SCc2ccc(C(=O)O)o2)nnc1-c1cccc(Cl)c1 408554273 CVEQEQLMEGGEMY-UHFFFAOYSA-N 363.826 4.202 0 40 FIAB COc1cccc2cc(C(=O)NCCSCc3cccc(C)c3)oc12 408702584 MRTZFSCFRXILLW-UHFFFAOYSA-N 355.459 4.413 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)Oc1ccccc1 408739331 ZLXAFWSIOHOHLH-OAQYLSRUSA-N 374.440 4.333 0 40 FIAB COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2C)cc1 409206634 YZXUNPZVDPKFNU-VZCXRCSSSA-N 372.877 4.465 0 40 FIAB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 409228791 FFYKVPLDMHPPKU-SFQUDFHCSA-N 370.836 4.222 0 40 FIAB O=C(C[C@H](c1ccsc1)n1cccc1)Nc1nnc(C(F)(F)F)s1 524735748 WEOSBCWDWBPJCM-SNVBAGLBSA-N 372.397 4.038 0 40 FIAB O=C(NCc1cccc2ccccc12)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523471 PXFBUUOUEZJBFR-OALUTQOASA-N 360.461 4.114 0 40 FIAB O=C1Nc2cc(Cl)ccc2C([C@H]2CCCOC2)=N[C@@H]1Cc1ccccc1 1615058777 WRYNJYJHYNINRP-HNAYVOBHSA-N 368.864 4.119 0 40 FIAB O=C(NCc1cccs1)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775966908 OAXPFYHQWNENKZ-ZDUSSCGKSA-N 364.517 4.071 0 40 FIAB COc1cccc(NC(=O)NCc2cc(-c3ccoc3)cs2)c1OC 1775969767 KMSDQOWXKUVKQL-UHFFFAOYSA-N 358.419 4.347 0 40 FIAB O=C(O)[C@H]1CS[C@H](c2cccc(OCc3cccc4ccccc34)c2)N1 807725 BICVXOSZHYYWLZ-WOJBJXKFSA-N 365.454 4.207 0 40 FIAB C[C@@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1ccccc1 886783 UYHGCPBBCRVDCH-ZGLRSVDFSA-N 368.506 4.166 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)c1 929462 ISBOSFRRKPWIBN-UHFFFAOYSA-N 363.442 4.487 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1 1369217 TXKYRDMQRWROAR-NHCUHLMSSA-N 352.453 4.141 0 40 FIAB Cc1cc2c(c(SCc3ccccc3)n1)C(=O)N(c1ccccc1)C2=O 1405567 UEWPNABCBHJTOC-UHFFFAOYSA-N 360.438 4.483 0 40 FIAB CCCCc1ccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)cc1 1903680 UVUOONZPQJLVOE-UHFFFAOYSA-N 368.864 4.461 0 40 FIAB COc1cc(OC)cc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1 2220524 ICZXPTMWDXFZAS-UHFFFAOYSA-N 372.384 4.246 0 40 FIAB Cc1cccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)c1C 2234481 CWBZSSNOFUWJKF-UHFFFAOYSA-N 374.444 4.338 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 3217080 COXWCCXKLLDIHZ-UHFFFAOYSA-N 359.425 4.386 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1 3385609 VHOJVTQRTDHDCQ-KGLIPLIRSA-N 357.475 4.365 0 40 FIAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@]12C 4808200 WACIVNIHJKQSFP-NSFMUAGPSA-N 350.474 4.478 0 40 FIAB biogenic,in-vitro C=C1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1ccc(Cl)cc1 5322371 AFFSZLPGRCDGAL-RMKNXTFCSA-N 369.848 4.426 0 40 FIAB CCc1s/c(=N\c2cccc(Cl)c2Cl)n(C(C)=O)c1OC(C)=O 5375724 XYGULHUCAHSHSV-SDXDJHTJSA-N 373.261 4.237 0 40 FIAB C[C@@H]1[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@H]2CCCCN21 5758919 MWRBNPVKOTZDOJ-QIJUGHKUSA-N 362.517 4.198 0 40 FIAB Cc1cc(C(=O)CCC(=O)OCC(=O)c2c[nH]c3ccccc23)c(C)s1 5768438 WGGMRAZAYVJUJQ-UHFFFAOYSA-N 369.442 4.235 0 40 FIAB Cc1ccccc1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 5938166 XWMZGTOHLPCMBQ-QGZVFWFLSA-N 350.447 4.101 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1 6328007 UEWQTHGNAMEKFX-UHFFFAOYSA-N 360.822 4.379 0 40 FIAB COc1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1OC 6953888 LGAFEDVDKHWGSN-UHFFFAOYSA-N 371.289 4.497 0 40 FIAB O=C(COC(=O)CC1CCCCC1)Nc1ccc(Br)cc1F 6974848 GDOJTXNPDXEHCQ-UHFFFAOYSA-N 372.234 4.040 0 40 FIAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 7071223 JDZFBYBVJUAXQJ-VVBXCHJUSA-N 369.442 4.218 0 40 FIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)OCCO2 7306594 FKOURHRHORQYHE-UHFFFAOYSA-N 357.715 4.382 0 40 FIAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1Br 7830586 HFCYPEJWNZHWOU-SNVBAGLBSA-N 366.280 4.279 0 40 FIAB CCc1ccc([C@H](NCC(=O)Nc2cc(OC)ccc2OC)C(C)C)cc1 7872463 AZVONPBQBXSBBD-JOCHJYFZSA-N 370.493 4.192 0 40 FIAB Cc1ccc(-c2cc(NC(=O)CN3CCC[C@H]3c3cccs3)on2)cc1 7983671 KXJLKEXJVFCHQF-KRWDZBQOSA-N 367.474 4.487 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c(OC)cc1Cl 8041260 KIZNAIBCSNJTOR-CYBMUJFWSA-N 363.841 4.380 0 40 FIAB CCOc1cc(CNCc2ccc(CN(C)C)cc2)ccc1OCC(C)C 8324791 KGQPWKFSGUUAIY-UHFFFAOYSA-N 370.537 4.472 0 40 FIAB CCn1c(SCCSc2ccc(F)cc2)nc2ccccc2c1=O 8404637 MQHADORUUYVHQB-UHFFFAOYSA-N 360.479 4.440 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)[C@@H]3COc4ccccc4C3)s2)cc1 8843785 LLSKBMBNZZEFPK-KRWDZBQOSA-N 364.470 4.232 0 40 FIAB COc1ccc(NC2(c3nnnn3C3CCCCC3)CCCCC2)cc1 9246933 DXSGBBRIPNUGKJ-UHFFFAOYSA-N 355.486 4.458 0 40 FIAB CCN(Cc1cccs1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 9479669 BCOVTYQYESMITE-UHFFFAOYSA-N 354.431 4.256 0 40 FIAB CCOc1ccc(NC(=O)CCCc2nc(-c3cccs3)no2)cc1 9699749 KGNIHGRLCDPFRS-UHFFFAOYSA-N 357.435 4.158 0 40 FIAB CCCC[C@H](Sc1ccc(NC(C)=O)cc1)C(=O)Nc1cc(C)on1 11672260 NRNZNBWWTDFBRV-INIZCTEOSA-N 361.467 4.231 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2coc3ccc(Cl)cc3c2=O)on1 12366524 NDHVMZKYUJLSJY-SCLBCKFNSA-N 372.852 4.244 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Br)s2)on1 12366530 PMFRZWQIFRXBII-SMDDNHRTSA-N 355.301 4.308 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(N(C)C)cc3)c12 12553674 RDVQUJDSQTZPKH-UHFFFAOYSA-N 362.389 4.110 0 40 FIAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccncc4)cc3O)nc2c1 13126077 SMWHKZDVNQNABL-UHFFFAOYSA-N 359.385 4.465 0 40 FIAB CC[C@H](CO)Nc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3 13207241 GFJQBKGTIGTNND-CYBMUJFWSA-N 368.481 4.031 0 40 FIAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 14109069 RBIKPBYNLPZOHU-GFCCVEGCSA-N 367.276 4.461 0 40 FIAB C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1cccs1 14181432 LHAMPNJXEVQBNF-OTYXRUKQSA-N 366.895 4.082 0 40 FIAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1c(F)cccc1Cl 15008464 BEHRQKSNFFXIRH-OVCLIPMQSA-N 363.797 4.421 0 40 FIAB COc1ccccc1OCCC(=O)Nc1ccc(N2CCCCC2)cc1 15526198 NIMNGXNROUKKPS-UHFFFAOYSA-N 354.450 4.093 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)cc1Cl 16230731 HIVGQPMBVWWWNZ-UHFFFAOYSA-N 361.854 4.371 0 40 FIAB Cc1cc(C)cc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)c1 16841238 MELYVVPUVCCQQQ-UHFFFAOYSA-N 355.825 4.203 0 40 FIAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(C(C)(C)C)cc1)(C3)C2 18167835 CMIRSPKDIQYTPF-WDXRGRCHSA-N 368.521 4.398 0 40 FIAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)c1ccc(Cl)s1 19849241 JOVLRACXIRSBQX-UHFFFAOYSA-N 352.824 4.132 0 40 FIAB CCOc1ccc(CCC(=O)Nc2cc(C)ccc2OC)cc1OCC 20490943 OMVBCEIDQVOKED-UHFFFAOYSA-N 357.450 4.372 0 40 FIAB CC(=O)c1ccccc1OCCOC(=O)Cc1coc2cc(C)ccc12 22157121 RUUYGPCBOPRVHO-UHFFFAOYSA-N 352.386 4.109 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N(C)Cc2ccc(C)cc2)cc1OC 22526298 ZXPNNDJUOKQHIR-HNNXBMFYSA-N 359.491 4.151 0 40 FIAB CCCCN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1 23688253 FPJMVHQXZFNEIQ-UHFFFAOYSA-N 365.882 4.190 0 40 FIAB COc1ccc([C@H](CNC(=O)Nc2ccccc2Cl)N2CCCC2)cc1 28247793 ZWKYBEYAVNJUMB-IBGZPJMESA-N 373.884 4.307 0 40 FIAB CC(C)C(=O)Nc1cccc(CNCc2csc(Br)c2)c1 30629543 QCHGKXHEDLCYHI-UHFFFAOYSA-N 367.312 4.395 0 40 FIAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)c1 32818796 YISGWQJPYSVZKV-UHFFFAOYSA-N 357.400 4.317 0 40 FIAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(F)cc1)c1cccc(OC)c1 32902752 QVKGNXOQXVYCLC-KVDXNUTJSA-N 370.468 4.047 0 40 FIAB C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccccc1Br 32914031 FRTLYENIHDBBNA-UONOGXRCSA-N 362.267 4.232 0 40 FIAB O=C(CCc1ccsc1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 32931853 ZJZFOSFAVKDPBR-FQEVSTJZSA-N 364.470 4.177 0 40 FIAB O=C1/C(=C\c2ccc(Br)cc2)N=C(S)N1c1ccccc1 33319999 LOJLSHOLYBISMP-GXDHUFHOSA-N 359.248 4.123 0 40 FIAB CCCCc1ccc(NC(=O)c2cc3ccc(OC)cc3oc2=O)cc1 33809258 WLFHHTVIYVTYIR-UHFFFAOYSA-N 351.402 4.397 0 40 FIAB CC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(C)cc1 40023907 OTBBJGQVPNUXIY-MRXNPFEDSA-N 358.438 4.294 0 40 FIAB COc1cccc(SCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 40141256 FNQJLIUGRNGXMQ-NRFANRHFSA-N 364.470 4.088 0 40 FIAB CCOC(=O)c1csc2nc(-c3ccccc3Br)cn12 40440695 HPWIXCKMKQRVSS-UHFFFAOYSA-N 351.225 4.002 0 40 FIAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2cc[nH]c2c1 43050482 QMYUXVMHYJZYOO-UHFFFAOYSA-N 361.376 4.424 0 40 FIAB O=C(NCC1CCN(Cc2ccsc2)CC1)c1c(F)cccc1Cl 43971749 UMXRZHKPFRVGFQ-UHFFFAOYSA-N 366.889 4.183 0 40 FIAB Cc1cccc(N2C(=O)c3ccc(NC(=O)c4ccccc4)cc3C2=O)c1 44803183 SWDRZQRXKMABHO-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Br 48044574 ZRBLQCYODABLNT-ZDUSSCGKSA-N 368.296 4.105 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(C)Cc1ccc(O)cc1 52963794 KORAGJDZPCGVAZ-LLVKDONJSA-N 354.233 4.125 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Cl)n[nH]2)c(OC)c1 57413069 RZCMFZDKABAQQZ-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB C[C@H]1CCCN(c2ncc(-c3nccn3C)c(-c3ccc(Cl)cc3)n2)C1 57761987 OOTJVXWBAWWCTG-AWEZNQCLSA-N 367.884 4.434 0 40 FIAB O=C(c1ccccc1SC[C@H]1CCCO1)N1CCc2ccc(F)cc21 58745995 TYDGOXOPZIQBBR-MRXNPFEDSA-N 357.450 4.300 0 40 FIAB COc1cc2ccccc2c(Br)c1C(=O)N1CCC(C)CC1 59843558 KSYSFIIDYDMPPP-UHFFFAOYSA-N 362.267 4.483 0 40 FIAB CC1(C)C[C@@H](NC(=O)c2ccc3ccn(Cc4ccccc4)c3c2)CCO1 61721270 XBXRBVUYQMDIJQ-FQEVSTJZSA-N 362.473 4.377 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(OC(F)F)c2ncccc12 65858766 RUTIZJZKMMQIBJ-UHFFFAOYSA-N 361.348 4.012 0 40 FIAB Cc1ccc(C)c(C(=O)Cn2nc(-c3cccc(Cl)c3)ccc2=O)c1 67206819 RZBOPLLSACMOJY-UHFFFAOYSA-N 352.821 4.063 0 40 FIAB Cc1ccc(C2(CNC(=O)Nc3ccc(C)cc3C)CCOCC2)cc1 69252504 XADYVZUBWSIKJO-UHFFFAOYSA-N 352.478 4.482 0 40 FIAB COc1cccc([C@H](CNC(=O)C2CCC(C(C)(C)C)CC2)N(C)C)c1 69691517 PJZATMVCPOESPF-NLPFYKDJSA-N 360.542 4.267 0 40 FIAB COc1cc([C@@H]2SCC(O)=Nc3ccsc32)cc(OC)c1OC 71280511 NJSLJVVWDMVISW-HNNXBMFYSA-N 351.449 4.198 0 40 FIAB CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1 72320222 FUSHLLXGTXLRMJ-CZYKHXBRSA-N 352.430 4.211 0 40 FIAB biogenic,in-vitro CCOc1cccc(CNC(=O)c2cc(OC)c3cc(F)cc(C)c3n2)c1 72329501 QJZCPTNTLFTWTJ-UHFFFAOYSA-N 368.408 4.020 0 40 FIAB C[C@H]1C[C@H]1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCC2)CC1 72343206 VYMNHOWTMIKDOZ-WTOYTKOKSA-N 354.538 4.197 0 40 FIAB CO[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)COC3)cs1)c1ccccc1 83897649 LDQMJVKPBGAYGQ-GOSISDBHSA-N 366.442 4.167 0 40 FIAB c1ccc2c(N3CCc4c(ncn4C4CC4)C3)nc(-c3ccsc3)nc2c1 95393110 SVYNZJYOLNCNCK-UHFFFAOYSA-N 373.485 4.452 0 40 FIAB Cn1ccc([C@@H](NC(=O)Nc2ccc(-c3ncco3)cc2)C(F)(F)F)c1 95452783 NICMQBLKDPEORD-CQSZACIVSA-N 364.327 4.105 0 40 FIAB O=C(Nc1cc(-c2ccccc2F)no1)c1nc(Cl)ccc1Cl 95948186 CWAXJEWYBUDHPN-UHFFFAOYSA-N 352.152 4.435 0 40 FIAB COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3ccccc3Cl)C2)c1 96012483 NCBCIVLGBKYMOA-LJQANCHMSA-N 358.825 4.055 0 40 FIAB CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H]2c2cccc(F)c2)n1 97477256 XGHGBQWSTAOGLJ-CYBMUJFWSA-N 354.351 4.042 0 40 FIAB CCCC[Sn]1(CCCC)OCc2nc(C)ccc2O1 195998150 PKONRJBNSRZWNS-UHFFFAOYSA-M 370.081 4.341 0 40 FIAB O=C(NCC[C@H](CCO)c1ccccc1)Nc1cccc(C(F)(F)F)c1 206631300 HAUUORQWDYYRKI-OAHLLOKOSA-N 366.383 4.383 0 40 FIAB COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)ccc1Cl 216315237 PBTLUIAHGQXJKH-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB COc1ccc(-c2ncc(C(=O)NCc3ccccc3Cl)c(C)n2)cc1 223138439 WWNQWVUYTJRHDY-UHFFFAOYSA-N 367.836 4.044 0 40 FIAB Cc1cc(OCC(=O)NCCOc2ccc3ccccc3c2)ccc1Cl 223614477 IRNJZWHLNGAREI-UHFFFAOYSA-N 369.848 4.376 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(Cl)cc2)c1 225305227 MGIXQRWTMAIJFA-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB CCOc1ccc(CCCNC(=S)Nc2ccc(F)cc2F)cc1 225622302 OKIFUFWNDDKEBI-UHFFFAOYSA-N 350.434 4.283 0 40 FIAB CC(C)Cn1cnc2c1C1(CCN(C3CCC3)CC1)Oc1ccccc1-2 306133566 MPRVIVPHBKSDFC-UHFFFAOYSA-N 351.494 4.442 0 40 FIAB COc1ccccc1C(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 408628382 SDPPSOFHHQJVPJ-UHFFFAOYSA-N 371.487 4.049 0 40 FIAB COc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2cccc(C)c2)C1=O 409223914 GPOSADOJVHXSNO-MOSHPQCFSA-N 372.424 4.250 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(C)c(OC)cc1C 409374921 BQYPEEREECCHMU-KRWDZBQOSA-N 358.463 4.080 0 40 FIAB CCn1c(CN2CC[C@H](c3ccccc3)[C@H]2C)nc2cc(C(=O)O)ccc21 565103236 DSSZYWJFFMVAIP-QAPCUYQASA-N 363.461 4.132 0 40 FIAB O=C(Nc1c[nH]ccc1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 589982185 KGWZPQNIDUMUCX-UHFFFAOYSA-N 358.319 4.313 0 40 FIAB CCCOc1ccccc1-c1nnc(NCc2cnc3c(C)cccn23)o1 1772703611 MWDSRGIFCTTXAC-UHFFFAOYSA-N 363.421 4.094 0 40 FIAB Cc1nc(-c2ncc[nH]2)cc(C2CCN(Cc3c[nH]c4ccccc34)CC2)n1 1848352494 DFAACFOTHXLEDQ-UHFFFAOYSA-N 372.476 4.036 0 40 FIAB O=C(Oc1ccccc1)Oc1cc2oc(=O)sc2cc1Br 717074 WMRPKKGVBAZANV-UHFFFAOYSA-N 367.176 4.195 0 40 FIAB O=c1oc2ccccc2cc1-c1nnc(-c2ccc(Br)cc2)o1 846027 QCPJZCPHPFYBBE-UHFFFAOYSA-N 369.174 4.273 0 40 FIAB O=C(Sc1nnc(-c2cccc(Br)c2)o1)c1ccco1 849996 HETWKDNKWUJZMZ-UHFFFAOYSA-N 351.181 4.025 0 40 FIAB COc1ccc(-c2nnc(SCc3ccc(C)cc3)n2C)cc1OC 916949 RYMWWSSKESJUFZ-UHFFFAOYSA-N 355.463 4.100 0 40 FIAB O=C(c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1)N1CCCCC1 983950 BFQOUYYHIMFRHF-UHFFFAOYSA-N 366.852 4.214 0 40 FIAB O=C(O)c1ccccc1C(=O)n1c(COc2ccccc2)nc2ccccc21 1294076 CHXIVUIOLKYTGP-UHFFFAOYSA-N 372.380 4.002 0 40 FIAB CCCCC(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 2073572 JSNMRQNFXPVBTQ-UHFFFAOYSA-N 358.869 4.441 0 40 FIAB Cc1cccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)c1 2296156 QHJINFFWJPEWPB-UHFFFAOYSA-N 356.516 4.475 0 40 FIAB CCOc1ccc(-c2nn3c(-c4cccc(OCC)c4)nnc3s2)cc1 2376942 JRZWQFAKWONCGI-UHFFFAOYSA-N 366.446 4.317 0 40 FIAB O=C(c1ccc(CN2CC=CC2)cc1)c1ccc(Br)cc1F 2514913 JEHZHFHRIJIGAC-UHFFFAOYSA-N 360.226 4.191 0 40 FIAB CCOC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1 3328875 VHYRPYBGLFVFGX-UHFFFAOYSA-N 361.463 4.096 0 40 FIAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc2c(c1)CCC2 3360721 WGRCHCVKTZHHIE-OAQYLSRUSA-N 364.489 4.267 0 40 FIAB CN(CC(=O)NCc1ccc(Cl)cc1)Cc1ccc(C(F)(F)F)cc1 3435684 DODITEVMPOBKRO-UHFFFAOYSA-N 370.802 4.107 0 40 FIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1c(F)cccc1F 4033091 YEVOPNVMLHKKTE-UHFFFAOYSA-N 364.355 4.235 0 40 FIAB CCCN1C(=O)[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4724180 DXZPGKZFHOUYTK-HSZRJFAPSA-N 365.473 4.336 0 40 FIAB O=C(/C=C/c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5200163 VSUWVLRHPKPMPN-MDZDMXLPSA-N 360.379 4.067 0 40 FIAB O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 5256142 MUUKTSNLXQBRKQ-QGZVFWFLSA-N 359.401 4.465 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 5786188 UGRRCKODPCHHDC-BUCOOAGHSA-N 370.276 4.245 0 40 FIAB CCOc1ccc(CN(CC)C(=O)/C=C/c2cccc(OC)c2)cc1OC 7272241 FHECPBHVQYJAQU-ACCUITESSA-N 369.461 4.164 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nc(-c2ccsc2)no1 7831422 XXRYJDIPPFBEFI-UHFFFAOYSA-N 367.386 4.119 0 40 FIAB CCN1CCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 8709648 YBEVJAIAUGVYOM-UHFFFAOYSA-N 353.249 4.031 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 10473114 LCOYQDMWRSFWMU-CQSZACIVSA-N 374.868 4.276 0 40 FIAB O=C(COc1ccc(Cl)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10544468 JWZFWWHKKYGUFW-CQSZACIVSA-N 369.852 4.001 0 40 FIAB FC(F)(F)c1nc(Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1 11990415 WXWYWPPGAFIIPA-UHFFFAOYSA-N 374.366 4.229 0 40 FIAB Cc1nn(C)cc1CN(Cc1ccc(F)cc1)C1CC(C)(C)NC(C)(C)C1 12186555 FBFKYTDPCRPKRK-UHFFFAOYSA-N 372.532 4.179 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cc2ccccc2c(=O)s1 12274394 JOZGGZLYFBWNIO-UHFFFAOYSA-N 360.232 4.276 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 12554936 JMBWZSBKKKCKGZ-CQSZACIVSA-N 371.868 4.214 0 40 FIAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3nc(C)cs3)s2)cc1 12599372 PUYSHCJVLMCZFD-UHFFFAOYSA-N 359.476 4.356 0 40 FIAB Cc1ccc(OCc2nc(C(=O)Nc3ccc(N(C)C)cc3)cs2)cc1 12607404 UPAGKQHFJDPBOU-UHFFFAOYSA-N 367.474 4.349 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)c1 12627278 VETPJVHVWZNANU-UHFFFAOYSA-N 373.412 4.271 0 40 FIAB O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(Cl)cc1F 12756172 APRLTDSEYHVGKR-UHFFFAOYSA-N 374.843 4.303 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2Br)cc1 12919003 MLBHFTMVEKRORF-LBPRGKRZSA-N 364.239 4.254 0 40 FIAB CCOc1cc2c(cc1CNC(=O)c1ccccc1SC)O[C@@H](C)C2 12974161 KLBRCQDRAOVSHG-ZDUSSCGKSA-N 357.475 4.061 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2Br)cc1 13002130 GXAPSEMTYDQRBB-GFCCVEGCSA-N 362.223 4.058 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Br 13006322 LHQGQQVMCXTIOU-GFCCVEGCSA-N 364.239 4.254 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)c1 13710499 IYBSZHAWNSUJDZ-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cc1cccc(-c2nnc3sc(COc4ccccc4Cl)nn23)c1 13945102 GDFMAUXTHXXEQV-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB C[C@H](NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(F)cc1 15608364 BOWOBHHZUWLUNX-NSHDSACASA-N 365.330 4.072 0 40 FIAB COc1cccc(CNC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 15924088 HEJATPBACVCFJU-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 16680489 QKLKPLASPFMVDH-UHFFFAOYSA-N 352.419 4.077 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(Cc2ccccc2)C1 18180459 QABBWCBZTLWYKF-OAHLLOKOSA-N 364.276 4.389 0 40 FIAB O=c1[nH]c(-c2ccccc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 19926519 XLDCJWXVCZUSKW-UHFFFAOYSA-N 373.481 4.210 0 40 FIAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)C(Cl)(Cl)Cl 20136967 GYEHHCLJRFSRCO-UHFFFAOYSA-N 369.031 4.401 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1OC 20492360 WJNUECIGRZSGBP-LLVKDONJSA-N 351.855 4.477 0 40 FIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H]1CCCc2ccccc21 22019197 YAUJUHPGFQUCDG-MRXNPFEDSA-N 354.475 4.212 0 40 FIAB Cc1ccccc1OCC(=O)NCc1cc(-c2cc3ccccc3o2)on1 22768755 IXDDAESYTGQDAT-UHFFFAOYSA-N 362.385 4.091 0 40 FIAB CC(C)[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)cc1 23073496 STFQCBKQMICKSO-SFHVURJKSA-N 354.841 4.299 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cnc2ccccc2c1 24968609 OPDGFLXEFWKFMO-MGPUTAFESA-N 361.445 4.018 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 25252377 ARMZZMRBMSNERX-QAPCUYQASA-N 374.937 4.211 0 40 FIAB CCOc1ccccc1N(CC(=O)c1cccs1)C1=NCCCS1 26442231 QGFGYHZVALFSMG-UHFFFAOYSA-N 360.504 4.329 0 40 FIAB COC(=O)c1ccc(CN(C)C(=O)c2cc(F)c(Cl)cc2Cl)cc1 30208387 KGOOKITZIQMJNO-UHFFFAOYSA-N 370.207 4.191 0 40 FIAB Cc1noc2ncc(C(=O)Nc3ccc(OCC(C)C)c(Cl)c3)cc12 30512090 ZNZDQGIUWYGXTF-UHFFFAOYSA-N 359.813 4.472 0 40 FIAB COc1ccccc1OC(=O)N[C@@H]1c2ccccc2O[C@H]2CCCC[C@@H]21 32109796 UXLAGYWHKLXIQR-RIFZZMRRSA-N 353.418 4.476 0 40 FIAB CC(C)(NC(=O)CCc1ccsc1)c1ccc(Br)cc1 32398633 AUNIUCOPPHQBIO-UHFFFAOYSA-N 352.297 4.495 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1noc(-c2cccc(Cl)c2)n1 32624178 IGYNMAKOARQBGE-UHFFFAOYSA-N 364.188 4.061 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC[C@H](c1cccs1)N(C)C 33026538 STWWCCUZLUPTTK-SWLSCSKDSA-N 368.955 4.301 0 40 FIAB CN(Cc1cccs1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 40024664 RDFPXYPTDLEPQU-UHFFFAOYSA-N 363.442 4.466 0 40 FIAB Cc1ccc(F)cc1NC(=O)CSCc1nc(-c2ccccc2)no1 40067233 ANFPRZFKSCWXBH-UHFFFAOYSA-N 357.410 4.056 0 40 FIAB CCc1cc(=O)n2c3ccccc3n(Cc3c(F)cccc3Cl)c2n1 40485148 QGBKSAJMUMGTTD-UHFFFAOYSA-N 355.800 4.052 0 40 FIAB Cc1nnc(NC(=O)c2cc3sccc3n2Cc2ccccc2F)s1 44921347 FGBFSUOZAJPGIN-UHFFFAOYSA-N 372.450 4.302 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)N[C@@H](C)c2cnn(C)c2C)cc1 47007088 HCPJRTLQQLPULO-MGPUTAFESA-N 370.497 4.125 0 40 FIAB Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2cc1Cl 57406067 DHPMKHSMBHIJNW-UHFFFAOYSA-N 368.864 4.077 0 40 FIAB Cc1cc(C)cc(CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 57689031 MDRIRWYFYOIKMR-UHFFFAOYSA-N 372.509 4.025 0 40 FIAB CCN(CC)c1ccc(C(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 58392062 BWBFNKLPNFSVNG-UHFFFAOYSA-N 362.405 4.068 0 40 FIAB CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC 59226995 YDJDBCCIFKYZKO-XNTDXEJSSA-N 357.793 4.092 0 40 FIAB COCc1cccc(C(=O)/N=c2\[nH]c3ccccc3n2C2CCCCC2)c1 69350189 FERBVNQEFIKQSK-UHFFFAOYSA-N 363.461 4.362 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2F)cc1Cl 71116145 VNHPQBCVWFZOLP-UHFFFAOYSA-N 373.815 4.198 0 40 FIAB Cc1nc(C(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)co1 72358289 QHPXJNKBEKCCQC-FQEVSTJZSA-N 365.408 4.085 0 40 FIAB COc1ccc(CCC(=O)N[C@H]2CCCC2(C)C)cc1Br 75105486 XVTTZCGORWNUMU-HNNXBMFYSA-N 354.288 4.085 0 40 FIAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCSCc1ccccc1 78579540 AWRCOOUSBFTOTH-UHFFFAOYSA-N 367.474 4.019 0 40 FIAB O=C(CN1CCc2sccc2C1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 79103475 MIDSRSDROCVQOD-SIKLNZKXSA-N 366.530 4.034 0 40 FIAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 79475076 KKKRXVUCANOZSA-KRWDZBQOSA-N 362.477 4.267 0 40 FIAB COc1cc(CCC(=O)Nc2cccc3c2ccn3CCC(C)C)on1 79486576 CMJWPVUKGCZILN-UHFFFAOYSA-N 355.438 4.255 0 40 FIAB COc1ccc([C@@H](NC(=O)c2ccc(-c3cnco3)cc2)C(C)C)cc1 95953973 KGSVZCFNQHHVIW-FQEVSTJZSA-N 350.418 4.477 0 40 FIAB O=C(Nc1ccccc1)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 96071013 ATPGHKLJBYBLBB-UHFFFAOYSA-N 369.896 4.470 0 40 FIAB Cc1cc(C)n2ncc(-c3noc(CCCc4c[nH]c5ccccc45)n3)c2n1 109542618 JOXVAHMBKREPGL-UHFFFAOYSA-N 372.432 4.053 0 40 FIAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1F 115409985 LHSWDKCVBJFSFB-UHFFFAOYSA-N 366.179 4.113 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)cc1 218972123 JDQCWVAIJUDCNJ-GOSISDBHSA-N 355.478 4.299 0 40 FIAB COc1ccc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cn1 219043244 MVJLJNIGIKFULX-MRXNPFEDSA-N 362.882 4.064 0 40 FIAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccccc3)CC2)c1 224493038 PZZGOUAYGLZHIJ-UHFFFAOYSA-N 364.533 4.340 0 40 FIAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224856976 FWOGJWFPNQPGGX-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccs1 225132744 DWDYHYJJILHDLG-UHFFFAOYSA-N 360.298 4.034 0 40 FIAB Cc1cc(N2CCNCC2)c2c(Cl)ccc(Oc3ccccc3)c2n1 225322296 NZRWUUJRHOTICF-UHFFFAOYSA-N 353.853 4.399 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2ccc(C)cc2)c1 225388885 BYHPIYREMHITTE-UHFFFAOYSA-N 370.518 4.399 0 40 FIAB CC[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 225482091 UDBVZBVNNVBJRK-SFHVURJKSA-N 353.491 4.251 0 40 FIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225611528 CCENMCPYDUNJRR-LAUBAEHRSA-N 362.514 4.084 0 40 FIAB O=C(Cc1cccc2ccccc12)NCc1cccnc1-c1cccnc1 225643192 IIBWFLAJMVCLCA-UHFFFAOYSA-N 353.425 4.156 0 40 FIAB CO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1)C1CC1 225644722 NAFNKNUMIBVNIH-QFIPXVFZSA-N 374.525 4.085 0 40 FIAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2sncc2c1 225872717 SCBPGGQZOJIFMW-UHFFFAOYSA-N 368.393 4.057 0 40 FIAB O=C(NCC1CCN(C2CCSCC2)CC1)c1cccc2ccccc12 238836072 GSQINHWQEOPABG-UHFFFAOYSA-N 368.546 4.177 0 40 FIAB COc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(=O)C(C)C 257238247 HKCQPAKUAFZZCM-UJEQOSBCSA-N 371.521 4.350 0 40 FIAB O=C1O[C@]2(CCCN(Cc3ccccc3F)CC2)CN1Cc1ccccc1 257265498 LYWPLRZKZIRLIW-QFIPXVFZSA-N 368.452 4.203 0 40 FIAB COC(=O)c1ccccc1NC(=O)CN(C1CCCCC1)C1CCCCC1 408581494 IOJVEJHBIAHAJL-UHFFFAOYSA-N 372.509 4.379 0 40 FIAB CCOC(=O)c1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1 408732745 YFUHGDKWHDCPMY-ZHZULCJRSA-N 371.392 4.361 0 40 FIAB COc1cc2c(cc1C)-c1[nH]c(=Nc3ccccc3OC)sc1CC2 408896436 NODCAUZBELKNEL-UHFFFAOYSA-N 352.459 4.400 0 40 FIAB CC(C)(C)OC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@@H]2[C@]1(O)C(F)(F)F 409098270 KVLZVMXVRGYYFW-MMPTUQATSA-N 364.408 4.306 0 40 FIAB Cc1cccc(C)c1N(Cc1ccc(Br)cc1)S(C)(=O)=O 409383116 ZMFNHLFPHCFEDP-UHFFFAOYSA-N 368.296 4.032 0 40 FIAB Cc1cc2nc3s/c(=C\c4ccc(C(F)(F)F)cc4)c(=O)n3c2cc1C 409389977 DCDOSNWRDBWAFX-SXGWCWSVSA-N 374.387 4.093 0 40 FIAB CCc1nn(C)cc1N[C@@H](CCCOC)c1ccc(Br)cc1 538579309 RWOGWIRHQQYBLD-INIZCTEOSA-N 366.303 4.325 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1-c1cn2c(n1)CCCC2 575619071 GBCHQDHCYJDPOV-UHFFFAOYSA-N 373.456 4.488 0 40 FIAB CCN(C(=O)c1nccc2ccsc12)[C@H](C)Cc1ccc(OC)cc1 625409632 HPEFNUFMOAJEKM-CQSZACIVSA-N 354.475 4.398 0 40 FIAB C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)C[C@]1(C)CO 666890712 ZGMOGTZIYSSABP-YVEFUNNKSA-N 358.404 4.009 0 40 FIAB CO[C@@H]1CCC2(CCN(C(=O)c3csc(C)n3)CC2)c2ccccc21 1614940963 VHXNGTPUHXGECU-GOSISDBHSA-N 356.491 4.107 0 40 FIAB O=C([C@@H]1CCC[C@@H]1c1ccccc1)N1CC(OCCCc2ccccc2)C1 1629171197 MOAOUSNPRZKORC-DHIUTWEWSA-N 363.501 4.431 0 40 FIAB COc1ccc(CNC(=O)NCc2cc(-c3ccco3)cs2)cc1OC 1775968979 QGRXBQLDYGRTMP-UHFFFAOYSA-N 372.446 4.025 0 40 FIAB COC(=O)c1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1 957063 UQBUAVTWXBKUOW-CMDGGOBGSA-N 350.201 4.432 0 40 FIAB C[C@@H](CN1CCCCC1)OC(=O)C1c2ccccc2Oc2ccccc21 1300549 HTGGGQRKDDWKKW-INIZCTEOSA-N 351.446 4.342 0 40 FIAB Cc1ccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)cc1 1383892 ZOTOWPPQJQTFPB-UHFFFAOYSA-N 359.473 4.257 0 40 FIAB COCCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2086615 VAUFJZURBGHIMH-UHFFFAOYSA-N 360.866 4.383 0 40 FIAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCCO)ncnc32)cc1 2714319 YTGKVXODDMOVOE-UHFFFAOYSA-N 358.445 4.190 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1 3349641 DYKKKWLULAIMRX-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NC1CCCCCCC1 3370848 TVWDFCCWHJLFNZ-UHFFFAOYSA-N 358.265 4.379 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(Cl)cccc2Cl)c1C 3587711 XDEWKOILXZLOMO-UHFFFAOYSA-N 368.216 4.181 0 40 FIAB CC[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 4599237 HNLLBXWQUCHTRW-ZXIHIIQKSA-N 374.790 4.229 0 40 FIAB O=C(CN1CCCC1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 4750014 LCRDMJLIYAXUCW-UHFFFAOYSA-N 370.305 4.075 0 40 FIAB CCN(CC)CC(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(C)cc1 4848724 KWWVIWATTSVDJX-UHFFFAOYSA-N 358.507 4.185 0 40 FIAB CCN(CC)CCCNc1c(C)c(C)nc2cc(-c3cccc(C)c3)nn12 4980198 CBXXBQXYLPKPGX-UHFFFAOYSA-N 365.525 4.465 0 40 FIAB Cc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269298 OJLSYTYGYBPQJI-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nc2ccccc21 5270474 RCJABFFQMJRIHC-UHFFFAOYSA-N 358.467 4.073 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)Sc2nncn2-c2ccccc2F)cc1 6129058 XDUNOCVIPBITOI-CYBMUJFWSA-N 370.453 4.088 0 40 FIAB COc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1OC 6416687 NUGAFEYWJCYUQD-BTDLBPIBSA-N 358.463 4.319 0 40 FIAB C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 6587641 YDNOWTUPSNIEFG-LPHOPBHVSA-N 365.477 4.046 0 40 FIAB CCc1ccccc1OCC(=O)OCc1cc(=O)oc2c(C)c(C)ccc12 6886901 XGRSMADKDBNVKN-UHFFFAOYSA-N 366.413 4.094 0 40 FIAB Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1ccccc1F 7615908 ZMAMACIUIGZBAN-UHFFFAOYSA-N 355.760 4.085 0 40 FIAB COc1ccc(N2C[C@H](C(=O)Oc3cc(C)ccc3C(C)C)CC2=O)cc1 7928967 SYAABUABYISBAT-MRXNPFEDSA-N 367.445 4.086 0 40 FIAB COc1cc(C(=O)N2CCC2)ccc1OCc1ccc(Cl)cc1Cl 9048064 QHFWMVMYPMIPSR-UHFFFAOYSA-N 366.244 4.427 0 40 FIAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 9063631 GEXOBKWDMXOBBU-UHFFFAOYSA-N 370.468 4.464 0 40 FIAB CCN1CCC[C@@H]1CNc1ncnc2scc(-c3ccc(OC)cc3)c12 9218467 CHWUIAMDWPCCPE-OAHLLOKOSA-N 368.506 4.263 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 11247176 HZWHETAVSCDRGB-FQEVSTJZSA-N 360.461 4.361 0 40 FIAB O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)Nc1ccc(F)cc1 11594535 CZTZTOUMUKHDTA-UHFFFAOYSA-N 362.817 4.039 0 40 FIAB O=c1cc(CNc2ccc(C(F)(F)F)cc2Cl)nc2sccn12 11717271 CIPHHWNQWOESBD-UHFFFAOYSA-N 359.760 4.040 0 40 FIAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C)c(F)c1)O[C@@H](C)C2 12523465 GDBQHDLLNHIUOP-UONOGXRCSA-N 372.440 4.295 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)C(Cl)(Cl)Cl 12560499 SMXBAXXRLFWAFH-UHFFFAOYSA-N 372.561 4.200 0 40 FIAB COc1cccc(Nc2nnc(S[C@@H]3Cc4ccccc4[C@@H]3O)s2)c1 12566977 GFTYDNGXSOUZTH-CVEARBPZSA-N 371.487 4.041 0 40 FIAB CSc1nc(C)c(CCC(=O)N(C)Cc2ccccc2Cl)c(C)n1 12913060 FYAQXGIKKNPTIQ-UHFFFAOYSA-N 363.914 4.060 0 40 FIAB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 13006288 PZGFKRSLYPIQAK-UHFFFAOYSA-N 370.880 4.062 0 40 FIAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1cccc(Cl)c1Cl 13040448 ZVBLFRBQQFAWAW-LLVKDONJSA-N 362.260 4.423 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCN(c2nsc3ccccc23)CC1 13625890 YTLSJYZKIBIQMP-UHFFFAOYSA-N 363.442 4.005 0 40 FIAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3sccc3C)n2)cc1 14076138 GLTYWDHLVRCTRZ-UHFFFAOYSA-N 371.487 4.068 0 40 FIAB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccccc1Br 14085512 JVUNPLNYDLDPQQ-UHFFFAOYSA-N 368.614 4.126 0 40 FIAB Cc1nn(CN2CCC(c3nc4ccccc4o3)CC2)c(=S)n1C1CC1 14187206 AMHKYLOPWINPMY-UHFFFAOYSA-N 369.494 4.036 0 40 FIAB COc1ccc(-c2nc(CC(=O)OC3CCCCC3)cs2)cc1OC 14464594 FMFQCNJMENCSJD-UHFFFAOYSA-N 361.463 4.246 0 40 FIAB COc1ccc([C@@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)cc1 15109961 XRPMWFQNQPSSGX-HNNXBMFYSA-N 351.431 4.369 0 40 FIAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 15180808 FUEWHSFPYHFUHV-KHEBOEOWSA-N 351.402 4.481 0 40 FIAB CC1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 15347709 DDCISMDAPRFUQQ-UHFFFAOYSA-N 355.809 4.216 0 40 FIAB Cc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1C 16615984 MWAFKKZIIBEVGY-UHFFFAOYSA-N 361.228 4.203 0 40 FIAB Cc1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cccc1C(=O)O 20144676 WGOYZWPOVKHMSH-SNVBAGLBSA-N 368.216 4.406 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20493999 ZJJCFTZBAGFYKB-MRXNPFEDSA-N 368.477 4.356 0 40 FIAB Cc1noc(C)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22925556 CVRKIPDWFYRTKD-UHFFFAOYSA-N 361.489 4.199 0 40 FIAB O=C(/C=C/c1ccc(Cl)s1)OCc1noc(-c2ccsc2)n1 23007928 KNSFKKOCIGSRLM-DUXPYHPUSA-N 352.824 4.270 0 40 FIAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H]1c1cccs1 23786493 NGSKGSMJZDQHMP-OAHLLOKOSA-N 353.447 4.094 0 40 FIAB CCCCN(C)C(=O)c1ccc(-c2nc(N)c3c(C)c(C)sc3n2)cc1 24926708 GONLSLKVZKJZFF-UHFFFAOYSA-N 368.506 4.429 0 40 FIAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc(F)c1 25847797 LNHQSKVRKZYTOS-UHFFFAOYSA-N 364.424 4.371 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccccc3)N(C)C)oc2c1 28291350 XJXDJRWOZUZBLP-GOSISDBHSA-N 350.462 4.391 0 40 FIAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(Br)cc1 28580819 XUIMJUKBEDPQOS-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB C[C@@H](CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1 31489673 BTOHTLGMEXKCPF-INIZCTEOSA-N 350.487 4.196 0 40 FIAB C[C@H]1CCN(C(=O)CCc2nc(-c3cccs3)no2)c2ccccc21 31782030 JEXWKELJEJXNMT-ZDUSSCGKSA-N 353.447 4.271 0 40 FIAB Cc1cccc(NC(=O)CSCc2nc(-c3cccs3)no2)c1C 32778874 KZUSGCAKJSYEKN-UHFFFAOYSA-N 359.476 4.287 0 40 FIAB O=C(CN1CCC(OCc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 32851171 XOBXQPGBNIFEMG-UHFFFAOYSA-N 367.533 4.453 0 40 FIAB CN(C)[C@H](CNC(=O)CCc1ccc(-c2ccccc2)o1)c1cccs1 32970903 JSBYCXWWGIDRGW-GOSISDBHSA-N 368.502 4.360 0 40 FIAB Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 33743560 CGHPRGGOYFBYRQ-UHFFFAOYSA-N 355.444 4.300 0 40 FIAB CCOc1cc(CO)c(Br)cc1OCc1ccc(F)cc1 34772853 COQJIZAXDSVSCJ-UHFFFAOYSA-N 355.203 4.058 0 40 FIAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccccc2)cc1 40485857 KYSNOLMUKJWXSP-OAQYLSRUSA-N 356.425 4.443 0 40 FIAB C[C@@]12CC3CC(NC(=O)c4cncc(Br)c4)(C1)C[C@](C)(C3)C2 41107604 CHGKKKWRHLUXHR-FGKMVVGBSA-N 363.299 4.323 0 40 FIAB O=C(CCS(=O)(=O)C1CCCC1)Oc1ccc(Cl)c2ccccc12 42201004 MZPHOLVANISXKW-UHFFFAOYSA-N 366.866 4.146 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3cnco3)cc2)cc1 48285627 VMHGHARKGWGUSY-UHFFFAOYSA-N 350.374 4.161 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccc(-c3ccc(Cl)cc3)o1)SCC(=O)N2 49545233 TXURMLAQJKQLIQ-INIZCTEOSA-N 359.838 4.406 0 40 FIAB CNC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1Cl 55904952 KNWABNBESBESED-UHFFFAOYSA-N 372.783 4.351 0 40 FIAB O=C(NCc1ccc(CN2CCCCCC2)cc1)c1ccc(F)c(F)c1 58062639 JLABJGALDSWXIE-UHFFFAOYSA-N 358.432 4.271 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 72328893 BPMIDQQDUCOYRT-GFCCVEGCSA-N 355.825 4.230 0 40 FIAB Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(CCc3ccccc3)C2)n1 72374829 COHPJNOMIPHOJL-HXUWFJFHSA-N 373.504 4.346 0 40 FIAB COCCOCCC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@@H]1C 74338807 IYHCZWMAVUPOSN-UVFQYZLESA-N 361.507 4.110 0 40 FIAB FC(F)(F)c1cccc(Br)c1I 75758227 JLBORDRDWBCEFY-UHFFFAOYSA-N 350.903 4.073 0 40 FIAB CN(c1ncnc2scc(-c3ccccc3)c12)C1CCC(CO)CC1 83867982 QNBVFKKAPMHWRB-UHFFFAOYSA-N 353.491 4.346 0 40 FIAB COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 95959443 XJWPOUSGHFEUKQ-RBUKOAKNSA-N 373.456 4.112 0 40 FIAB Cc1ccc(-c2onc3ccc(CC(=S)N4CCOCC4)cc23)cc1 96306173 JEZDNZZZGURGQH-UHFFFAOYSA-N 352.459 4.005 0 40 FIAB CCOC(=O)N1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 100490436 FFXAIVQIXUTSDE-UHFFFAOYSA-N 359.476 4.122 0 40 FIAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1C[C@H]2CC[C@H]1C2 105129610 KMWFLQLSZFSTAV-MPGHIAIKSA-N 350.466 4.046 0 40 FIAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(Cl)cc1Br 124990663 JYYGZSVJQSTQLY-UHFFFAOYSA-N 368.662 4.003 0 40 FIAB O=C(CCc1ccccc1F)NCC1(Sc2ccccc2)CCOCC1 211071802 IGFQSWACYPUOOK-UHFFFAOYSA-N 373.493 4.216 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1Cl 216439185 IMWONFFUQUVRCO-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)c1 219302032 DRFDEDZXEXFGEB-HKUYNNGSSA-N 355.478 4.271 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 222898012 NTTZIHNVKSTBOW-LAUBAEHRSA-N 355.478 4.299 0 40 FIAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1C(C)C 223305312 UZPHECVTBJSCCI-CQSZACIVSA-N 365.470 4.306 0 40 FIAB O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSC1CCCC1 223700824 ZPLIYTFIZMRFDZ-UHFFFAOYSA-N 368.351 4.089 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(C)c(C)c1 224468638 VGEJHGOVAMDPGF-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1 224481817 ZOPFISAKICVWGM-INIZCTEOSA-N 367.898 4.414 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(OC)c(OCC)c2)cc1Cl 225058357 QSHFWBMIEVZXAZ-UHFFFAOYSA-N 363.841 4.076 0 40 FIAB CCOc1ccc(C(=O)N(C)c2ccc(N3CCCC3)cc2)cc1OCC 225065264 GVWLZBIEPOIKON-UHFFFAOYSA-N 368.477 4.361 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCCc2ccccc2)ccc1Cl 225282403 PQUNGGWMLCVOAV-UHFFFAOYSA-N 362.882 4.046 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](C)COc2ccccc2)c1 225325639 LJDGNOAHBPIXDK-MSOLQXFVSA-N 355.478 4.469 0 40 FIAB CC(=O)c1ccc(CCNC(=O)CCc2ccc(C(F)(F)F)cc2)s1 225672679 IPPYRRAPEYOHBL-UHFFFAOYSA-N 369.408 4.261 0 40 FIAB O=C(NCc1cccnc1-c1cccs1)c1ccc2ncsc2c1 225761807 AMLMPWJJJQAKPX-UHFFFAOYSA-N 351.456 4.350 0 40 FIAB CCOc1cc(CNC(=S)Nc2ccc(OC(C)C)cc2)ccc1OC 225771275 USLJPJCFZPHHPI-UHFFFAOYSA-N 374.506 4.368 0 40 FIAB Nc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCC1 226267141 USVVAHJCCRZGJO-UHFFFAOYSA-N 350.249 4.428 0 40 FIAB CC[n+]1cc(Br)cc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 226774356 MAWDCBYFAYKHGK-UHFFFAOYSA-N 351.655 4.262 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 231425237 MMJJSEJKPCNVLX-DOMZBBRYSA-N 359.919 4.294 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3ccccn3)CC2)o1 257213372 CHHFFSWXYAPFAX-UHFFFAOYSA-N 362.429 4.419 0 40 FIAB CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=S 409008384 XRXYOTFOFUHKHA-JYRVWZFOSA-N 367.257 4.331 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21)c1ccccc1 409372764 PZLGKOHUCVGTQQ-WKDRNLAYSA-N 355.437 4.390 0 40 FIAB O=C(c1cccn1C1CCCC1)N1CCN[C@@H](c2cccc(Cl)c2)C1 513989573 MLDOHPQNGKSKMO-GOSISDBHSA-N 357.885 4.043 0 40 FIAB O=C(O)c1csc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)n1 521634505 NZHMOQJLUURXCC-UHFFFAOYSA-N 370.396 4.240 0 40 FIAB COc1ccc2c(c1)CCCN(C(=O)N[C@@H](c1nc(C)cs1)C1CC1)C2 608711631 XCEQFIHVTWFSPL-GOSISDBHSA-N 371.506 4.069 0 40 FIAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccc(Cl)cc1 608718005 PPVRBMPYYOTJTK-KCMWZYNZSA-N 372.900 4.349 0 40 FIAB Cn1nc(C2CC2)nc1COc1cc(C(F)F)nc2ccc(Cl)cc12 664036915 YEHLVJUZHRCFBR-UHFFFAOYSA-N 364.783 4.411 0 40 FIAB O=C(NCc1cncc(-c2cccnc2)c1)c1ccc(Cl)cc1Cl 670817430 IDJXURWMRKYRDD-UHFFFAOYSA-N 358.228 4.380 0 40 FIAB CC[C@@H]1CCCC[C@H]1CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 1667328326 DJTUFYMYGJRFCO-SJORKVTESA-N 358.461 4.027 0 40 FIAB CCOc1ccccc1C(=O)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775973474 RUBNGODBFXVYIQ-UHFFFAOYSA-N 361.445 4.010 0 40 FIAB CCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccncc1 664123 LJWNOTKUYCINNB-UHFFFAOYSA-N 372.881 4.379 0 40 FIAB O=c1oc(-c2cccc(-c3nc4ccccc4c(=O)o3)c2)nc2ccccc12 826898 SORNEPWIFZWRMH-UHFFFAOYSA-N 368.348 4.023 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc(F)cc4)c(=O)c23)C1 1321099 QVGPRPWIHWKUFL-CYBMUJFWSA-N 371.481 4.191 0 40 FIAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccc3c(c2)OCO3)s1 2311609 AKTXQNCGXBASBL-UHFFFAOYSA-N 374.809 4.231 0 40 FIAB COc1ccc(NC(=O)c2cn3nc(C)c(-c4ccccc4)c3nc2C)cc1 2350731 ZQXTUGSIJLRRIA-UHFFFAOYSA-N 372.428 4.274 0 40 FIAB CCc1cccc(NC(=O)COc2ccc(Br)cc2F)c1 2652485 INGOWNMZLCFPDI-UHFFFAOYSA-N 352.203 4.168 0 40 FIAB CCc1ccc(NC(=O)CSCc2nc3ccccc3nc2C)cc1 2655072 ZNHVDFRELVDDEA-UHFFFAOYSA-N 351.475 4.373 0 40 FIAB COc1cc(C(=O)NCC2CCCCC2)ccc1OCc1c(C)noc1C 2661332 FMXSRBWQYFOGFM-UHFFFAOYSA-N 372.465 4.189 0 40 FIAB COc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 2685814 JCMGAXSQIBOSJA-FUHWJXTLSA-N 357.494 4.083 0 40 FIAB COc1ccc(COc2ccccc2C(=O)NCc2ccccc2)cc1F 3446270 VMAHOQPEWRGEON-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 4107389 XFNSGXMOBTVBPG-UHFFFAOYSA-N 363.417 4.266 0 40 FIAB Cc1cccc(NC(=O)c2nnn(-c3cccc(Cl)c3C)c2C)c1C 4315619 SSEPFNURLQZNPR-UHFFFAOYSA-N 354.841 4.407 0 40 FIAB CCc1ccc(-c2ccc(SCC(=O)N3CCCCCC3)nn2)cc1 4356281 NCHDNMPDGGRYBU-UHFFFAOYSA-N 355.507 4.201 0 40 FIAB Cc1cc(Oc2coc3cc(OCC(=O)O)ccc3c2=O)cc(C)c1Cl 4426139 LRJCMHUWKRHNLQ-UHFFFAOYSA-N 374.776 4.319 0 40 FIAB Cc1ccnc(NC(=S)NC(=O)c2ccc3c(Cl)cccc3c2)c1 4749185 SKNHJZRBORJKRK-UHFFFAOYSA-N 355.850 4.323 0 40 FIAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1 5120311 YJQZFWZUNSKMSU-UHFFFAOYSA-N 367.776 4.081 0 40 FIAB O=C(C[S@](=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 5278077 JTNFHHXNNYOWKN-HSZRJFAPSA-N 361.772 4.105 0 40 FIAB Cc1ccsc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 5967268 XXGAMUKUNLHEHO-CYBMUJFWSA-N 361.488 4.131 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 6056682 NTICFPVEJKFMGU-UHFFFAOYSA-N 366.490 4.177 0 40 FIAB Cc1cc2cc(CCNC(=O)CCC3CCCCC3)c(=O)[nH]c2cc1C 6309319 SCTRJOILYNDKMZ-UHFFFAOYSA-N 354.494 4.164 0 40 FIAB CC(C)c1ccc(CN(C)CC(=O)Nc2ccc(F)c(F)c2F)cc1 6649638 YSKRZXZAXUHYAT-UHFFFAOYSA-N 350.384 4.298 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Br)c1 6757697 PEFJTICUJPTCOO-UHFFFAOYSA-N 360.236 4.220 0 40 FIAB O=C(CCCOC(=O)c1ccc(OC(F)F)cc1)c1ccc(F)cc1 6949037 RUCPFUQUXZTCAM-UHFFFAOYSA-N 352.308 4.247 0 40 FIAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC(F)F 7886174 LIVGUQXMVNWVKO-QGZVFWFLSA-N 360.360 4.026 0 40 FIAB COc1ccc2c(CC(=O)OCC(=O)c3ccc(Cl)s3)coc2c1 7976764 VPNSAPCKVBWAAT-UHFFFAOYSA-N 364.806 4.125 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)CSc1ccccc1C 7985248 RWHORUCBRVEGEU-UHFFFAOYSA-N 358.459 4.432 0 40 FIAB O=C(OCc1cn2cc(Cl)ccc2n1)c1nc(Cl)ccc1Cl 7989461 NNOIPPBRZDOPHY-UHFFFAOYSA-N 356.596 4.047 0 40 FIAB COc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc(F)c3)c2C)c1 8274923 ZIHJMAKCCPXGNL-UHFFFAOYSA-N 368.412 4.340 0 40 FIAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cccc2ccccc12)CC3 8322819 XXWHGTFRVRWIAS-FOWTUZBSSA-N 368.392 4.192 0 40 FIAB COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 8710186 RDZWINBVSZLTMY-UHFFFAOYSA-N 357.413 4.191 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1cccc2ccccc12 8735264 OYEPRAOQVSNIHO-JLHYYAGUSA-N 360.413 4.459 0 40 FIAB CN(Cc1cccs1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 8851806 DYJSFMXSBJDXSK-UHFFFAOYSA-N 374.469 4.268 0 40 FIAB COc1ccc([C@H](NC(=O)c2ccc(F)c(F)c2)c2ccccc2)cc1 8981979 NMKUFBTUVUFRRL-HXUWFJFHSA-N 353.368 4.493 0 40 FIAB Cc1c(C(=O)Nc2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 9512833 SQGZVAMCJWHXEF-UHFFFAOYSA-N 353.447 4.340 0 40 FIAB COc1cc(CCC2CCN(C(=O)c3ccccc3F)CC2)cc(OC)c1 11128326 JFZWULTUVIZOGV-UHFFFAOYSA-N 371.452 4.328 0 40 FIAB COc1cc(NC(=O)c2cc3ccccc3s2)ccc1N1CCCC1=O 12076317 BGGGYWBOTHUWDU-UHFFFAOYSA-N 366.442 4.289 0 40 FIAB O=C(CCn1cnc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2 12579542 UJECZLZQRCYGFW-UHFFFAOYSA-N 363.417 4.107 0 40 FIAB O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc(F)c1 12753718 AOGZROIGHONIKB-UHFFFAOYSA-N 368.387 4.202 0 40 FIAB O=C(CSc1nnc2n1CCCCC2)c1cc(Cl)sc1Cl 12876361 RMJKUOGAVDHXIY-UHFFFAOYSA-N 362.307 4.348 0 40 FIAB Fc1ccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)cc1Cl 13688332 JUIBEJLGQAYKDO-UHFFFAOYSA-N 374.784 4.041 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1 13731939 YWZWGOALUWVDJN-UHFFFAOYSA-N 369.421 4.468 0 40 FIAB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=O)N(C)C3=O)c2c1 13881553 OYUMZQRJSCVKIW-BOPFTXTBSA-N 357.431 4.303 0 40 FIAB CCC[C@@H](C)c1nnc(NC(=O)c2ccccc2Br)s1 13955674 GXWAMZMHWGGDQL-SECBINFHSA-N 354.273 4.457 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/Sc2ccccc2)c(C)c1 14244266 VGCDBZLROVJGDQ-ZHACJKMWSA-N 368.502 4.315 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)Nc1cccc(N2CCCC2=O)c1 15176535 OBPCIVMNXGODJX-OUKQBFOZSA-N 357.413 4.014 0 40 FIAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc(OC(F)F)cc3)c2C)c1 19911234 DTPULDMARAFHQQ-UHFFFAOYSA-N 372.375 4.046 0 40 FIAB C[C@@H](CC(=O)Nc1ccccc1SC(F)F)NC(=O)c1ccccc1 21706232 WJGNSHJSMMJPOE-LBPRGKRZSA-N 364.417 4.148 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)cc2)c(C)c1 22527368 CQWLHZXPIZYRKS-CQSZACIVSA-N 373.474 4.300 0 40 FIAB O=C(Nc1nc(-c2ccccn2)cs1)C1=Cc2cc(Cl)ccc2OC1 24502051 GOQBFRUHPURQEL-UHFFFAOYSA-N 369.833 4.273 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(F)c2cccnc12 24569650 JNOCXAVXIIJHQU-UHFFFAOYSA-N 364.401 4.236 0 40 FIAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1ccc(F)cc1 27663882 MTZCZBPNDFHPDA-LJQANCHMSA-N 360.860 4.436 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)c2)cs1 27850141 KRMRVBDEZHBRLU-RYUDHWBXSA-N 357.401 4.298 0 40 FIAB CC(C)C[C@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccccc1 30755012 CSCQZQPFINRNEK-QFIPXVFZSA-N 366.505 4.036 0 40 FIAB O=C(Nc1ccc(Cl)cc1Br)c1ccc2nsnc2c1 30831897 QDHFWLGLCKXKAC-UHFFFAOYSA-N 368.643 4.360 0 40 FIAB COc1ccc(-c2nc(CS[C@H](C)C(=O)NCC(C)C)cs2)cc1 31413501 BVMRPVHVNXIMDB-CYBMUJFWSA-N 364.536 4.213 0 40 FIAB CC(C)Cc1nc(CSc2nnc(-c3ccccc3Cl)n2C)no1 31438783 BQCKUPPDJOBVCU-UHFFFAOYSA-N 363.874 4.009 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1cccc(CN2CCCC2)c1 32461931 CMAZLJACGWKHMC-DHZHZOJOSA-N 354.881 4.265 0 40 FIAB COc1cccc(COC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 32722024 UHHLTCJAKGKKNN-UHFFFAOYSA-N 367.426 4.366 0 40 FIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1 32926286 HLMILTWCLSFQRV-HNNXBMFYSA-N 355.463 4.187 0 40 FIAB Cn1c(=O)c(/C=C/C(=O)Nc2ccc3ccccc3c2)cc2ccccc21 36625774 MEBUYFAEQMTGME-ACCUITESSA-N 354.409 4.344 0 40 FIAB Cc1ccc(-c2nc(COC(=O)c3cc(C)n(C4CC4)c3C)no2)cc1 36694715 QPJJKKYYEXUTGA-UHFFFAOYSA-N 351.406 4.155 0 40 FIAB CC(C)CNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 39844136 IDMMGRWDTFATGC-UHFFFAOYSA-N 356.447 4.242 0 40 FIAB CCC(CC)c1nnc(NC(=O)c2cccnc2N2CCCCC2)s1 40129355 ZAACMSMSGHGTRE-UHFFFAOYSA-N 359.499 4.079 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(OC)c1 48290694 MJSYLNGEPZNLNH-CKDFRHGISA-N 365.351 4.137 0 40 FIAB C[C@@H](NC(=O)COc1nncc2ccccc12)c1ccc2ccccc2c1 49873959 PUGATEBVEUCUOO-OAHLLOKOSA-N 357.413 4.039 0 40 FIAB COc1cccc([C@H](CNC(=O)c2cc(Cl)ccc2Cl)N(C)C)c1 57288416 FXIDENPXKJZLRW-KRWDZBQOSA-N 367.276 4.035 0 40 FIAB Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3)n2)cc1 57486792 IEGZNJHBOZKJRD-UHFFFAOYSA-N 358.401 4.152 0 40 FIAB CCN(CC)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72212831 OABIVTCKEGWVRU-IBGZPJMESA-N 353.466 4.402 0 40 FIAB COc1ccc([C@@H](NC(=O)c2ccncc2Cl)c2ccccc2)cc1 72939004 MEEZMDYSUBFSCE-IBGZPJMESA-N 352.821 4.263 0 40 FIAB Cc1cn(CC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c2ccccc12 84257624 QLNKWPMYZUGTJV-IFMALSPDSA-N 366.436 4.125 0 40 FIAB O=c1cc(CN2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)occ1O 84393535 KQAPFRAFBWVCNE-HNNXBMFYSA-N 353.340 4.091 0 40 FIAB C[C@H](Cc1nc2ccccc2s1)NC(=O)c1c[nH]c2ccc(F)cc12 89904322 JIIZARZZTOWMAZ-LLVKDONJSA-N 353.422 4.278 0 40 FIAB COc1ccc(C)cc1CN1[C@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 100765399 FXHMVTKBGRRGOX-PMACEKPBSA-N 355.453 4.157 0 40 FIAB COc1ccc2c(c1)s/c(=N/C(=O)CCSc1ccc(C)cc1)n2C 102007712 RYLKKOXPMMPVHQ-FMQUCBEESA-N 372.515 4.167 0 40 FIAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 118915980 YVCQLADPAZVQRJ-XZWJHATMSA-N 374.521 4.155 0 40 FIAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 223783764 GCIFXUIJRDZKFF-MOPGFXCFSA-N 365.458 4.250 0 40 FIAB CCc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 223962080 XNQIBWJTALKELK-LJQANCHMSA-N 353.462 4.219 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccc(C)cc2I)c1 225009475 QUBKCWZHLHLXPY-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB Cc1ccnc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225301183 QBMNLMPUTUJTHG-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225388073 VKZQNTVILAFAHF-HOTGVXAUSA-N 353.462 4.219 0 40 FIAB O=C(Cc1ccccc1F)Nc1ccccc1C(=O)NC1CCCCC1 225445437 DTUMTLHFKATBRQ-UHFFFAOYSA-N 354.425 4.069 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1 225583681 HAZOOBDUSQAALT-UHFFFAOYSA-N 369.461 4.171 0 40 FIAB CC(C)(C)CNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225910980 OPGLSZZCNICEFJ-ZDUSSCGKSA-N 357.325 4.368 0 40 FIAB O=C(N[C@H](Cn1nccn1)c1ccccc1)c1ccc(-c2ccsc2)cc1 245015323 LWEMCXYMUSREJA-HXUWFJFHSA-N 374.469 4.178 0 40 FIAB Cc1cc(N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)ncn1 257243776 IIMSZHWCMLDYEQ-QGZVFWFLSA-N 354.841 4.359 0 40 FIAB CC(C)n1cc(C2=CCCN(c3nc(C4CCCCC4)ns3)CC2)nn1 333831224 JKXGVZHOVGBENL-UHFFFAOYSA-N 372.542 4.442 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1Cl 408585704 INBWFPQOYNNHEZ-UHFFFAOYSA-N 353.871 4.465 0 40 FIAB COc1cc(C)ccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 548032680 LKAHGCYDKSGAIZ-UHFFFAOYSA-N 361.445 4.456 0 40 FIAB O=C(N[C@@H](CCO)c1ccc(Cl)cc1)c1cc2ccc(Cl)cc2[nH]1 578463605 IIALQTKIQVULIK-HNNXBMFYSA-N 363.244 4.328 0 40 FIAB CN(C(=O)c1ncccc1-n1ncc2ccccc21)C1CCC(F)(F)CC1 606442808 IAAUERBIXYXLHD-UHFFFAOYSA-N 370.403 4.070 0 40 FIAB C[C@H]1OCC[C@]12CN(C(=O)Nc1cc(Cl)ccc1C(C)(C)C)CCO2 670053811 CFIWVRKVGSXKQK-YJYMSZOUSA-N 366.889 4.049 0 40 FIAB CC(C)[C@@H]1CCc2nc(NC(=O)c3c[nH]nc3-c3ccco3)sc2C1 1180109539 BXZAXVAMHCHCLE-LLVKDONJSA-N 356.451 4.139 0 40 FIAB Cc1cc(NC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)ccc1Cl 1526883970 VUPYWRWUFHFAPJ-ZDUSSCGKSA-N 360.816 4.169 0 40 FIAB O=C(CSc1ccc(F)cc1)NC[C@H](O)c1ccc(-c2ccco2)cc1 1775966736 WTHXVWKMUVUQGS-SFHVURJKSA-N 371.433 4.028 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)CC1 804951 MZSRYKCCGRTXOI-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB CCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1 1356853 DSXUPMIPLBTECY-UHFFFAOYSA-N 358.854 4.310 0 40 FIAB Cc1cc2n(Cc3cccc(C(F)(F)F)c3)c(=O)c3ccccc3n2n1 1395027 TUGRUIDALUACRX-UHFFFAOYSA-N 357.335 4.025 0 40 FIAB Cn1c(CN2CCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 2333530 JBZVKWDGDMYYQB-UHFFFAOYSA-N 368.868 4.075 0 40 FIAB O=C1C[C@@](Cl)(Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 3135006 BODIEARJSLECPO-QGZVFWFLSA-N 366.269 4.326 0 40 FIAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(Br)cc1 3398419 SIJZKLVAXLKJSU-UHFFFAOYSA-N 357.610 4.292 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 3621416 JTUWFUUCISKLKU-UHFFFAOYSA-N 355.394 4.160 0 40 FIAB O=C1CC2(CCN(C(=O)CCCc3ccccc3)CC2)Oc2ccccc21 4505629 JOSOWOYUVHDAIU-UHFFFAOYSA-N 363.457 4.036 0 40 FIAB Nn1c(SCc2ccccc2Oc2ccccc2)nnc1-c1ccco1 4537536 IKSJLQPLZTUKMX-UHFFFAOYSA-N 364.430 4.337 0 40 FIAB Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4cccc(Cl)c4)C3)n2)o1 4890831 GQOXHBLLBGBBEE-AWEZNQCLSA-N 371.824 4.311 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)C34CC5CC(CC(C5)C3)C4)ccc12 4964285 RPUVDGOYNQXKES-UHFFFAOYSA-N 352.430 4.266 0 40 FIAB Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(Cl)c3)ccc12 5100796 FKSISFIMDLNAQG-UHFFFAOYSA-N 372.804 4.269 0 40 FIAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccccc1Cl 5266704 YTBWRPKYLKBUAJ-UHFFFAOYSA-N 369.852 4.249 0 40 FIAB CCC/[S@](=N/S(=O)(=O)c1ccc(Br)cc1)C(C)(C)C 5523244 PVNFJAOYOGECPX-GOSISDBHSA-N 366.346 4.148 0 40 FIAB COC(=O)[C@@H]1ON(c2ccccc2)[C@H]2c3ccccc3-c3ccccc3[C@H]12 5722017 AQHABOOWVCWCMY-FDFHNCONSA-N 357.409 4.485 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(OCCC(C)C)cc2)cc1 6204744 COBVQNJQNHMYAG-UHFFFAOYSA-N 368.477 4.131 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 6314393 ILKFZINUWPFLFN-UHFFFAOYSA-N 372.273 4.017 0 40 FIAB COc1ccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1F 6538491 UPKRTOYVTJQOSK-GFCCVEGCSA-N 355.365 4.052 0 40 FIAB O=C(Cc1cccs1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6657596 DSTXGARCBLQLNO-LJQANCHMSA-N 361.470 4.267 0 40 FIAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc(F)c1 6943159 FUVJKQGSQMZJBO-UHFFFAOYSA-N 363.388 4.140 0 40 FIAB CNC(=O)c1sc(Nc2ccc(OCc3ccccc3)cc2)nc1C 6980307 SRUADQCTPDPTDN-UHFFFAOYSA-N 353.447 4.134 0 40 FIAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc2ccccc2o1 7265819 MMPAQXJKRFBHBT-UHFFFAOYSA-N 350.418 4.232 0 40 FIAB COc1ccc(Nc2nc3c(c(Nc4ccccc4)n2)C(=O)CCC3)cc1 7496514 AUHSCYUINZOJGF-UHFFFAOYSA-N 360.417 4.491 0 40 FIAB Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c(Cl)c1 7725669 VRRQZPHZYJZLBP-UHFFFAOYSA-N 358.825 4.475 0 40 FIAB Cc1nc(=S)[nH]c(C)c1CCC(=O)NCc1ccc(Cl)cc1Cl 7780935 DAQSRYALEPSNHA-UHFFFAOYSA-N 370.305 4.312 0 40 FIAB C[C@H]1c2ccsc2CCN1C(=O)COc1ccc(Br)cc1 7829712 PKDDHMGPPQWBSI-NSHDSACASA-N 366.280 4.035 0 40 FIAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8087820 MJCUZYIWLVEIIK-HNNXBMFYSA-N 356.853 4.202 0 40 FIAB C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1cc2ccccc2o1 8238780 WTWSMASGWTWOGV-XIKOKIGWSA-N 366.442 4.113 0 40 FIAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cccc(Cl)c1 8314447 DJFMYNWIVJPMFP-VIFPVBQESA-N 364.883 4.306 0 40 FIAB COc1ccc2c(c1)CCc1cc(C(=O)OCc3ccccn3)sc1-2 8343853 OIHKBUQTLYCDFQ-UHFFFAOYSA-N 351.427 4.274 0 40 FIAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccccc2)c1 8476498 BASOJVDYQNHCIH-UHFFFAOYSA-N 360.461 4.305 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N1CCCCCCC1 8520470 WNBGGJUPHGFQJI-UHFFFAOYSA-N 370.478 4.103 0 40 FIAB O=C(N[C@H]1CCCc2ccccc21)c1cnn(Cc2ccccc2Cl)c1 9865359 PJYOYKCGHHLEFF-FQEVSTJZSA-N 365.864 4.392 0 40 FIAB CC(=O)c1ccccc1NCC(=O)N[C@@H](c1ccccc1)c1cccs1 10167566 TYNGPTUHHOYDNG-NRFANRHFSA-N 364.470 4.268 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 11585304 KKSFYNUEKLKAQF-KRWDZBQOSA-N 369.852 4.267 0 40 FIAB CC(=O)O[C@H](Cn1nc(C)cc1C)Cn1c2ccccc2c2ccccc21 11667602 FWGZZKLLZRBFMA-SFHVURJKSA-N 361.445 4.240 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2c(C)cc3oc(=O)cc(C)c3c2O1 11866489 DHSYNTIJVANJBN-INIZCTEOSA-N 350.370 4.125 0 40 FIAB biogenic COc1ccc(C2(NC(=O)CCn3ccnc3C(C)C)CCCCC2)cc1 12115996 ILCBOQMXGLADCO-UHFFFAOYSA-N 369.509 4.381 0 40 FIAB CCOC(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 12653331 HYOYCKZVGSQINS-UHFFFAOYSA-N 360.866 4.393 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 12810506 LUCOWTLYKBHMMG-HNNXBMFYSA-N 353.491 4.372 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)c(C)c2)cc1 12948322 SLKCBQMVLQBLAQ-IBGZPJMESA-N 359.853 4.400 0 40 FIAB CN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(OC(F)(F)F)cc1 12988630 SQUBRCPHKJLTRW-UHFFFAOYSA-N 374.309 4.205 0 40 FIAB CCOC(=O)[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 13284551 BEYODDFYQGKQJX-CQSZACIVSA-N 362.351 4.471 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NCCc4cn5ccccc5n4)c23)C1 14094095 DINAKOBVPKDXJP-ZDUSSCGKSA-N 363.490 4.118 0 40 FIAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc2ncsc2c1 14126026 GZEDIWOXHMVEJS-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OC(F)F)cc1 14898963 PDBRFZSEZWUXIB-UHFFFAOYSA-N 358.344 4.433 0 40 FIAB CC(C)c1ccc(OC[C@@H](O)Cn2c(C3CC3)nc3ccccc32)cc1 16903727 FFCBFEQHRKPFJW-SFHVURJKSA-N 350.462 4.477 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2cccnc2Oc2ccccc2)c1 21073655 JHFNNEVLWPUEGH-UHFFFAOYSA-N 373.412 4.018 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCO2 21818123 KKNIILLTSUNGOY-HUUCEWRRSA-N 354.450 4.410 0 40 FIAB CC(C)NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 22965342 FDHCNKXZAWQLRT-UHFFFAOYSA-N 365.277 4.048 0 40 FIAB CCC(CC)c1nnc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)s1 24694114 GMXDCRFGRIJQDD-UHFFFAOYSA-N 372.498 4.328 0 40 FIAB Cc1cccc(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)n1 26829542 WTBFIUYCTROSDX-KRWDZBQOSA-N 361.470 4.495 0 40 FIAB COc1cccc(S[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 27662562 IHMRATJEMQIQMA-GOSISDBHSA-N 354.431 4.464 0 40 FIAB CCCCOc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Cl 27823804 DVPFLFDTQVZNHJ-UHFFFAOYSA-N 365.882 4.270 0 40 FIAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)cc1 28289331 OELLICYZFWPEPU-OAQYLSRUSA-N 368.521 4.090 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](c1ccccc1)c1ccccn1 29319945 IVTKCBHKTIDBKU-AVRDEDQJSA-N 359.473 4.492 0 40 FIAB O=C(NCCc1ccccn1)c1ccccc1-c1ncc(-c2ccccc2)o1 32062978 MIEOHFSQNONYRQ-UHFFFAOYSA-N 369.424 4.376 0 40 FIAB Cc1ccc(-c2nc(CSc3nnc(NC4CC4)s3)cs2)o1 32328326 LLKNZAFDFJFMPW-UHFFFAOYSA-N 350.494 4.430 0 40 FIAB CN(CCn1c(=O)oc2ccccc21)C(c1ccccc1)c1ccccc1 32777985 NZMSBGBZPIFQJR-UHFFFAOYSA-N 358.441 4.316 0 40 FIAB CCOC(=O)c1c(CN2CCc3sccc3C2)nc2ccccc2c1C 32879823 YQQMEGNFYVCIOR-UHFFFAOYSA-N 366.486 4.340 0 40 FIAB O=C(O)CC/C(=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1 33527900 HFDVVICQOQGXDJ-LCYFTJDESA-N 353.399 4.430 0 40 FIAB CC(=O)c1ccc(NC(=O)Cn2ccc3ccc(Br)cc32)cc1 36353163 JFUFUTSRKBLCMM-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)cc1O 36357738 SBSPBTWGEOVJQU-CQSZACIVSA-N 369.808 4.364 0 40 FIAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCC(Cc2ccccc2)CC1 38850932 PDIHZNUCXCNBDM-UHFFFAOYSA-N 359.473 4.026 0 40 FIAB CC(C)(C)c1noc(CCC(=O)Nc2ccccc2OC2CCCC2)n1 40145823 RPTOEMGIFYEMTC-UHFFFAOYSA-N 357.454 4.260 0 40 FIAB Cc1noc(-c2ccc(C(=O)N3CCCSc4ccccc43)cc2)n1 42649243 YUHBDNILLVCSCX-UHFFFAOYSA-N 351.431 4.188 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1cccs1)C(C)C 43668730 NCUCXIGGCDNFGN-KRWDZBQOSA-N 361.467 4.234 0 40 FIAB CC1(C)CC(NC(=O)Nc2cccc(OC(F)(F)F)c2)CC(C)(C)N1 44018171 YYBKGSUOVDQGHQ-UHFFFAOYSA-N 359.392 4.016 0 40 FIAB COc1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)cc1Cl 44884055 GHXYSGXOYGUZTG-UHFFFAOYSA-N 367.854 4.097 0 40 FIAB COc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccccc1-n1cccn1 48149829 DPFWARFDTPCYAL-OAHLLOKOSA-N 350.422 4.106 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)N3CCCCc4ccccc43)o2)cc1 48332508 PJDYMYFMNZHZEN-UHFFFAOYSA-N 361.445 4.347 0 40 FIAB Cc1nc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cs1 48781117 TZXXOOCTBAPLEX-UHFFFAOYSA-N 355.438 4.133 0 40 FIAB Cc1ccc(-c2nnc(CN3CCN(c4ccccc4Cl)CC3)o2)cc1 54244972 UVXIRAJBDQWLSA-UHFFFAOYSA-N 368.868 4.021 0 40 FIAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccccc1Cl)C(=O)CO3 57709614 DHOIHFXIWOADLV-UHFFFAOYSA-N 366.848 4.426 0 40 FIAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C2CCCC2)cc(OC)c1OC 71283623 RPYZHJJETSBWEM-AWEZNQCLSA-N 371.437 4.148 0 40 FIAB O=c1oc2ccccc2n1CCN[C@@H](c1ccccc1)c1ccc(F)cc1 71982585 GCEQXJPXHWXRDD-NRFANRHFSA-N 362.404 4.113 0 40 FIAB C1CCc2c(sc3nc(C4CC4)nc(N4CC[C@@H](N5CCCC5)C4)c23)C1 72089510 VYAZWWDZZSIXSI-OAHLLOKOSA-N 368.550 4.122 0 40 FIAB CCn1ccnc1CN1CCC[C@H](c2nccnc2-c2cccc(C)c2)C1 72359135 URPQEGSUVFZHJT-IBGZPJMESA-N 361.493 4.048 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(C(C)C)cc3)n2)c1 75359589 MFKWMKQHGQLRSD-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB Cc1noc(C)c1C[C@@H](C)NC(=O)NCC(C)(C)c1cccc(Cl)c1 78848196 SMPVWNFFGVBRBM-GFCCVEGCSA-N 363.889 4.153 0 40 FIAB CCOC(=O)Nc1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1 91695567 NEOVEQHPLFFFLG-UHFFFAOYSA-N 353.344 4.402 0 40 FIAB Cc1ccsc1C(=O)N1CCc2nc(-c3cccc(F)c3)nc(C)c2C1 96253952 VVUJAGDAYFCPFA-UHFFFAOYSA-N 367.449 4.160 0 40 FIAB CO[C@@](C)(CNC(=O)CSCc1ccccc1)c1cccc(Cl)c1 96392537 VTWXTNWTCMWLDF-IBGZPJMESA-N 363.910 4.251 0 40 FIAB O=C(c1noc2c1CCCC2)N1CCC[C@H](COc2ccccc2Cl)C1 122781761 NBIFYUHMIDVDAW-AWEZNQCLSA-N 374.868 4.138 0 40 FIAB O=C(c1cccs1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 220690289 LSPWARIVSKBQJG-ZDUSSCGKSA-N 371.437 4.032 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223699276 SDEQIFLPGPEGSE-OAHLLOKOSA-N 359.441 4.086 0 40 FIAB CCOc1ccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1Cl 224340975 PHRHQAFLOMQQEZ-UHFFFAOYSA-N 363.841 4.028 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 225200162 WIRMDXVXKUCXPI-QGZVFWFLSA-N 368.496 4.478 0 40 FIAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(OC2CCCC2)cc1 225377609 SWBIXIDSXOQVGT-UHFFFAOYSA-N 370.474 4.223 0 40 FIAB O=C(NC[C@](O)(c1ccco1)c1cccs1)Nc1ccccc1Cl 225591724 GWVIVDISDYCCOA-KRWDZBQOSA-N 362.838 4.052 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225777718 HMIHVMLSLWVZAF-CVEARBPZSA-N 353.462 4.219 0 40 FIAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1Cl 226041675 MXRHQMPDAISAGR-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCC(OC)CC2)cc1 253407548 WOWIKXMRHFMBEB-UHFFFAOYSA-N 374.868 4.216 0 40 FIAB Cn1cc(-c2ncc(CN[C@@H]3C[C@H]4CCC(C)(C)c5cccc3c54)cn2)cn1 527232328 RWLATPJISBOSRC-OXQOHEQNSA-N 373.504 4.267 0 40 FIAB CC[C@@H](C(=O)NC[C@H](c1cccs1)n1nc(C)cc1C)c1ccccc1 575610890 QVCMRJZXKPASMO-RTBURBONSA-N 367.518 4.461 0 40 FIAB O=C(O)c1ccc(CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)s1 581434912 RTXVGOCIYDQLHU-UHFFFAOYSA-N 363.866 4.195 0 40 FIAB CC(C)[C@H](O)[C@@H](NC(=O)c1cccc(C(F)F)c1F)c1ccccc1 585123966 TZVIBMGNPPBLKC-IRXDYDNUSA-N 351.368 4.251 0 40 FIAB O=C(NCc1cccc2ccccc12)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148990 PIOUNHICIWJAAA-OAQYLSRUSA-N 372.468 4.474 0 40 FIAB Clc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC1CCN([C@@H]2CCOC2)CC1 624015226 SJHCHQGDEQWRGE-UZLBHIALSA-N 373.928 4.042 0 40 FIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc2c1ccn2C 1565524920 XTXWGPPUZOQXQC-UHFFFAOYSA-N 350.447 4.240 0 40 FIAB C=CC(=O)NCc1ccc(C(=O)N2CCCCC23CCCCCC3)cc1 1586519589 ZHYBBGXFHIUOIV-UHFFFAOYSA-N 354.494 4.208 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)o1 1224436 IHZWWTQQCDCBBJ-CYBMUJFWSA-N 369.446 4.178 0 40 FIAB CC(C)C[C@H]1CC(=O)O[C@@]1(C)C(=O)CSc1nc2ccccc2s1 1245877 FJRZRDBOYWONFI-KPZWWZAWSA-N 363.504 4.325 0 40 FIAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccc(F)cc1 1377839 RRSFVFFQHQIZOJ-ROUUACIJSA-N 358.482 4.203 0 40 FIAB O=C(Nc1ccc(Cl)cc1)O[C@@H](CN1CCCCC1)C(F)(F)F 1392961 CKBUUYNZCZQIKU-ZDUSSCGKSA-N 350.768 4.305 0 40 FIAB Brc1cccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 2397988 ZDISUQYYBPFDRJ-HZPDHXFCSA-N 355.239 4.187 0 40 FIAB CCc1ccc2c(c1)[C@@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2 2451670 SZGOYKKFUAMJDO-QHCPKHFHSA-N 366.424 4.344 0 40 FIAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc(C(=O)O)c2)C3=O)cc1 2751220 WHKAMSXCADAUDJ-UHFFFAOYSA-N 373.364 4.286 0 40 FIAB O=C(CSc1ncnc2ccccc12)Nc1ccc(Br)cc1 3244115 AQKKHQYCKTXSTK-UHFFFAOYSA-N 374.263 4.123 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N2CCc3ccccc3C2)cc1 3453336 HYWNWIUFRDMUQJ-UHFFFAOYSA-N 362.429 4.069 0 40 FIAB COc1ccc(OC)c(NC(=O)CSc2cccc(C(F)(F)F)c2)c1 3473893 GOIPGZCXWLVRFC-UHFFFAOYSA-N 371.380 4.453 0 40 FIAB CCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCCO3 3907448 KOYNDIUGWJGCFV-HNNXBMFYSA-N 353.418 4.111 0 40 FIAB O=C(c1c(F)cccc1F)N1CCN=C1SCc1ccc(Cl)cc1 4120073 LYOGUFBZWGPKJC-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB CCCCNC(=S)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 4132654 VBHCMRZYZIFGGU-UHFFFAOYSA-N 371.550 4.256 0 40 FIAB CC1CCN(C(=O)CSc2ccc(-c3ccc(Cl)cc3)nn2)CC1 4355577 IBUYRWWBMNOSJA-UHFFFAOYSA-N 361.898 4.148 0 40 FIAB COc1ccc(CC(=O)NCCc2csc(-c3ccc(C)cc3)n2)cc1 4570773 MBTQSIKPTXTUJT-UHFFFAOYSA-N 366.486 4.029 0 40 FIAB COc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)cc1 5023171 URQXSPCOPZESNH-UHFFFAOYSA-N 354.431 4.498 0 40 FIAB CS(=O)(=O)c1ccccc1COC(=O)Nc1cc(Cl)cc(Cl)c1 5362123 YNSIFSJPPOUXNN-UHFFFAOYSA-N 374.245 4.146 0 40 FIAB CC1(C)Cc2nc(C(F)(F)F)c3[nH]c4ccccc4c3c2[C@@H](NC=O)C1 5625280 AHTGSZHSMMXFCA-LBPRGKRZSA-N 361.367 4.494 0 40 FIAB O=C(Nc1ccncc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 5936947 ZIDVVPBLLZNNHG-UHFFFAOYSA-N 369.380 4.278 0 40 FIAB Cc1ccc2c(COC(=O)COc3ccc(Cl)cc3C)cc(=O)oc2c1 6302179 DNOCCGWIVSBEOZ-UHFFFAOYSA-N 372.804 4.185 0 40 FIAB O=C(CCCSc1nnc2[nH]c3ccccc3n12)c1ccc(F)cc1 6506932 AGZFTYZFKADANG-UHFFFAOYSA-N 354.410 4.105 0 40 FIAB COc1ccc(-c2nc(NC(=O)COc3cccc(F)c3)sc2C)cc1 7670662 KEPRSBZHWLKGDX-UHFFFAOYSA-N 372.421 4.284 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 7881943 CBKWYAXQEJOLKN-OAHLLOKOSA-N 356.853 4.202 0 40 FIAB CCc1ccccc1N1C[C@@H](C(=O)Nc2cccc3ccccc23)CC1=O 7881958 SWMWNBIFWODGCS-SFHVURJKSA-N 358.441 4.394 0 40 FIAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7929093 GHCPUKYWJBAZHN-GOSISDBHSA-N 359.425 4.361 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2nc3ccccc3s2)CC1 8086343 SRBLIOFQZBLRIY-UHFFFAOYSA-N 366.442 4.045 0 40 FIAB C[C@H](Sc1ccc(F)c(Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 8404127 TUGRARAZFKDEGM-JTQLQIEISA-N 367.829 4.005 0 40 FIAB Cc1ccccc1-c1n[nH]c(SCc2cn3cc(Cl)ccc3n2)n1 9219025 MODLPAMJSRFATF-UHFFFAOYSA-N 355.854 4.374 0 40 FIAB CSCc1nnc(Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)o1 9384482 IOPRGFBPBQAVID-MRVPVSSYSA-N 364.521 4.213 0 40 FIAB COc1cccc(NC(=S)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 10184240 IFGCMIWGHVUSON-AWEZNQCLSA-N 366.490 4.148 0 40 FIAB CCN(CC)CCn1c(NC(=O)c2ccc(C)s2)nc2ccccc21 10653097 DQXQQXNIWYHHPW-UHFFFAOYSA-N 356.495 4.000 0 40 FIAB CCCN1CCCc2cc(CCNC(=O)c3ccc(Cl)cc3)ccc21 11612958 GWCVYHWWGUKMMD-UHFFFAOYSA-N 356.897 4.475 0 40 FIAB CCOc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c(C)cc1OC 12344617 PRZACWPVICKMCR-UHFFFAOYSA-N 369.505 4.194 0 40 FIAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccccc3F)ccc2c1 12762365 ZZTLAHOWFWCHAD-OAHLLOKOSA-N 366.436 4.447 0 40 FIAB COC(=O)CCCCCCNC(=O)c1cccc(COc2ccccc2)c1 12810275 IHIKOHHRZORDGX-UHFFFAOYSA-N 369.461 4.119 0 40 FIAB COc1ccc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1OC 12853631 SOIHAXQTQVMJSW-CQSZACIVSA-N 363.866 4.324 0 40 FIAB O=C(CSc1ccccc1C(=O)O)Nc1ccc(OC(F)(F)F)cc1 13189132 RNXWHRVPPSRWAQ-UHFFFAOYSA-N 371.336 4.014 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)c(OC)c1 13708931 WTCFEITYHNXJND-CQSZACIVSA-N 351.402 4.263 0 40 FIAB CC(C)n1c(S[C@@H]2CCCCC2=O)nc2sc3c(c2c1=O)CCC3 14111026 KGWAWHRBXQGNQA-CQSZACIVSA-N 362.520 4.131 0 40 FIAB Cc1cccc(OCCCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1 14161280 FPDBDDYFMWUCDQ-UHFFFAOYSA-N 351.402 4.208 0 40 FIAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CCN(CC(C)C)CC1 19236853 OGZINXGDOROPMZ-JOCHJYFZSA-N 365.521 4.229 0 40 FIAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)s1 19849274 XIWVFYSZULRWBZ-UHFFFAOYSA-N 350.848 4.211 0 40 FIAB Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3Cl)no2)cc1 21800558 XLMHCLMRKCBLHR-LBPRGKRZSA-N 357.797 4.104 0 40 FIAB COc1ccccc1[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)N(C)C 23713743 KGSFLHCDQRMGJZ-IBGZPJMESA-N 354.494 4.025 0 40 FIAB biogenic CCc1cccc(N2C[C@@H](C(=O)Nc3c(C)cc(C)cc3C)CC2=O)c1 24835664 XRELZWJZUNCWEY-SFHVURJKSA-N 350.462 4.166 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc(Br)cn1 28224408 XGFXUGYTKXNUQX-ZETCQYMHSA-N 363.042 4.152 0 40 FIAB FC(F)(F)c1ccnc(Nc2ccc3nc(N4CCCC4)sc3c2)n1 29441158 PDVHYJVVRUTJSK-UHFFFAOYSA-N 365.384 4.449 0 40 FIAB Cc1nc2cc(NC(=O)CCCc3nnc(-c4ccccc4)o3)ccc2o1 32924469 FGCYMXXDZJGEFS-UHFFFAOYSA-N 362.389 4.148 0 40 FIAB O=S(=O)(Cc1ccc(F)cc1)Nc1cc(-c2ccc(Cl)cc2)no1 36079243 VMSCRKVRTXAQGT-UHFFFAOYSA-N 366.801 4.076 0 40 FIAB Clc1cccc(Cl)c1Cc1nn2c(-c3ccncc3)nnc2s1 36357254 GZRNILRRQJVUQV-UHFFFAOYSA-N 362.245 4.145 0 40 FIAB COc1cc(CCNC(=O)Nc2ccc(C)cc2C)ccc1OC(F)F 40023972 FGMXNGNIWBKJOV-UHFFFAOYSA-N 364.392 4.278 0 40 FIAB O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cccs1 44532497 RPSOCTQGCKLJNX-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB CCn1c(CN[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)nc2ccccc21 54173574 SVJCRXFARGVVCW-HNNXBMFYSA-N 362.477 4.256 0 40 FIAB COc1cccc(CN2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)c1 54278234 LQQASUINDUEYQQ-UHFFFAOYSA-N 365.429 4.079 0 40 FIAB biogenic,in-vitro Cc1cccc(Oc2ncccc2NC(=O)Cc2c(C)nn(C)c2C)c1C 54346888 PZFXPXANPRAOMY-UHFFFAOYSA-N 364.449 4.022 0 40 FIAB CCc1ccccc1NC(=O)[C@@H](C)n1c(-c2cccs2)n[nH]c1=S 69562055 ZEYKMAUWEKKEFW-LLVKDONJSA-N 358.492 4.431 0 40 FIAB Cc1c(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)sc2ccccc12 69950947 LWPODIXUTTVVCY-IYBDPMFKSA-N 359.491 4.010 0 40 FIAB CCCNc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213232 ZHATVGNJCHYEBE-IBGZPJMESA-N 373.522 4.128 0 40 FIAB Clc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ncccn3)n2)cc1 72377604 WDMRTWJISRSOKZ-KRWDZBQOSA-N 366.856 4.001 0 40 FIAB COCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(C)o1 95465860 MYLQWMQCGCDXCH-IBGZPJMESA-N 354.450 4.286 0 40 FIAB O=C(Nc1nc2c(s1)CCC2)[C@@H](Oc1ccccc1)c1ccccc1 95949578 GAQYBHFNAJUTGB-SFHVURJKSA-N 350.443 4.391 0 40 FIAB CC(C)c1ocnc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 95956563 WJJBKBQWUCLDRA-UHFFFAOYSA-N 365.437 4.035 0 40 FIAB COc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3ncnc3N2)c(OC)c1 101030732 GRXLRFZEQMYCFX-QGZVFWFLSA-N 368.824 4.005 0 40 FIAB S=C(Nc1ccc(Sc2ncccn2)nc1)NC1CCCCCC1 224042622 ARNXGLWHPJNMOE-UHFFFAOYSA-N 359.524 4.032 0 40 FIAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(C)c1 224646906 QKPJKZNYASXYDG-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)ccc1F 224905074 KNDUKNYIUNQLIS-MOPGFXCFSA-N 366.465 4.045 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(SC(C)C)s2)cc1 225620561 KKEAHAXAIZMKFO-AWEZNQCLSA-N 365.524 4.397 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225620867 ZXQWGFVPBQUJAQ-MAUKXSAKSA-N 357.450 4.047 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225730181 IYXYTYBPTCGSQO-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB CCNC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225883318 BLNAVCNSLVQEAN-UHFFFAOYSA-N 366.446 4.368 0 40 FIAB Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(C)C2=O)cc1 409192320 ASSXOXMYQQEZEN-DEDYPNTBSA-N 372.424 4.250 0 40 FIAB Cc1nn([C@H](C)CC(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 409412799 GNHJNBGJOMDYSY-RJXGBPHDSA-N 365.521 4.458 0 40 FIAB O=C(Nc1c(F)cccc1NC1CC1)c1ccc(O[C@@H]2CC2(F)F)cc1 528730863 VCIZWJJUOIEPGS-MRXNPFEDSA-N 362.351 4.439 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCC[C@@H](CCO)c1cccs1 575608872 ZWTQXFFGVQMAJT-LBPRGKRZSA-N 368.886 4.088 0 40 FIAB CC(C)c1csc([C@H]2CCCN([C@H](C(=O)O)c3ccsc3)C2)n1 582850696 CJGLRLPKGONJEN-WFASDCNBSA-N 350.509 4.333 0 40 FIAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 594636008 HLIMLAKIFKAHEN-VLIAUNLRSA-N 364.493 4.376 0 40 FIAB C[C@H]1C[C@@H]1c1cc(NC(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)n[nH]1 1570721339 UDGXOJBWCSTFJJ-ABHRYQDASA-N 358.511 4.465 0 40 FIAB Cc1ccc2nc(-c3cccs3)cc(C(=O)N[C@H]3CO[C@H](C)C3)c2c1 1585363430 ZWILMWDZTFXCDJ-ZIAGYGMSSA-N 352.459 4.179 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2N1c1ccc(F)cc1 1615156782 KEHIMOCSGUYFBH-APWZRJJASA-N 372.509 4.336 0 40 FIAB O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccc(-c2ccco2)cc1 1775966735 WTHXVWKMUVUQGS-GOSISDBHSA-N 371.433 4.028 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)c3cccc4ccccc34)cc2)cn1 1889302861 JRWXTLSTTKUFQH-UHFFFAOYSA-N 355.441 4.213 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c(C)c1 869056 KRMOWKXVFDKVGR-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2ccc(Br)cn2)c1 1054340 JFHOTNCPJRUGMH-UHFFFAOYSA-N 357.660 4.472 0 40 FIAB COc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 1253197 KNFAHGBMRXESBB-UHFFFAOYSA-N 367.430 4.359 0 40 FIAB CCCc1nc(SCC(=O)Nc2nc(C)cs2)c2ccccc2n1 1342765 BSPGEUVISJGQEL-UHFFFAOYSA-N 358.492 4.078 0 40 FIAB Cc1cc(C)c(S(=O)(=O)c2cccc(Br)c2C)c(Cl)n1 1392042 OTFNAGLMVKQQMU-UHFFFAOYSA-N 374.687 4.256 0 40 FIAB CCC(CC)c1nnc(NC(=O)COc2ccc(Cl)cc2C)s1 2629227 DWNUCDWPXGTXLX-UHFFFAOYSA-N 353.875 4.421 0 40 FIAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 3322561 FOWJVFBCCFYWDY-UHFFFAOYSA-N 368.414 4.057 0 40 FIAB COc1ccc(-c2nnc(Nc3nc4ccc(F)cc4s3)o2)c(OC)c1 4137795 BGCSFUYUHXWMFR-UHFFFAOYSA-N 372.381 4.246 0 40 FIAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 4140323 NDSMUUMNRYBCPP-CJFMBICVSA-N 361.422 4.410 0 40 FIAB CCOc1c(Br)cc(C(=O)O)cc1OCc1ccccc1 4419138 VQAPJSFUANTNFN-UHFFFAOYSA-N 351.196 4.125 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3C)o2)cc1 4927447 OVBUWSMWQYUAEM-ZDUSSCGKSA-N 354.431 4.417 0 40 FIAB CC(C)[C@H](NC(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCCO2 5407865 QVJMKEQWBFQEQQ-FQTAANOTSA-N 351.446 4.375 0 40 FIAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cc1 5714880 LEESTTOMBJQKTI-UHFFFAOYSA-N 353.805 4.218 0 40 FIAB COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccccc2C(C)C)cc1 5825128 ACFMQNZEFSOBOS-DENIHFKCSA-N 369.505 4.395 0 40 FIAB O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 5936946 INHRDMLGIXLDGT-UHFFFAOYSA-N 369.380 4.278 0 40 FIAB CC[C@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 6122389 IMTBQZOEPQAAAO-JTQLQIEISA-N 362.882 4.268 0 40 FIAB CC(C)(CO)NCc1c(OCc2ccccc2F)ccc2ccccc12 6883111 KMORNUMLBDHDHG-UHFFFAOYSA-N 353.437 4.418 0 40 FIAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cccc(F)c1 7579078 LNSPALDRMSMQHC-UHFFFAOYSA-N 353.422 4.259 0 40 FIAB O=C(COc1ccc(Cl)c2cccnc12)NCc1cccc(Cl)c1 7612230 WOOUOGGBENIECS-UHFFFAOYSA-N 361.228 4.237 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccc(F)c3)cs2)cc1 7986452 ZFPQEONTJGTYOH-ZDUSSCGKSA-N 370.449 4.378 0 40 FIAB CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(C)cc1 8026034 DMGRQIRJTMNVDP-GOSISDBHSA-N 357.523 4.324 0 40 FIAB COc1ccccc1Nc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 8232338 TXGHKWREFALDPL-UHFFFAOYSA-N 368.462 4.126 0 40 FIAB Cc1cccc(NC(=O)NC(=O)CSc2ccc(F)c(F)c2)c1C 8251785 KMHMKTVXJNKJJW-UHFFFAOYSA-N 350.390 4.022 0 40 FIAB O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(Br)c1 8617113 PSTGHBNCBPUBLF-UHFFFAOYSA-N 362.252 4.056 0 40 FIAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1COc2ccccc2C1 8746038 UNMGUKSXEGVCMV-GOSISDBHSA-N 350.462 4.257 0 40 FIAB Cc1cc(-c2ccccc2)nc2cc(-c3nc(-c4ccccc4)no3)nn12 9049180 JOHNCPSMUVBCMC-UHFFFAOYSA-N 353.385 4.422 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1F 9335954 DSXNTUKJRVVPJR-YXBWYFRISA-N 369.827 4.132 0 40 FIAB Cc1cc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)on1 9647360 WPHJSUPYYXYKIY-UHFFFAOYSA-N 352.419 4.175 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 10731860 IHGLVLANRHXYPF-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB Cc1ccc(CSCC(=O)NCc2coc(-c3cccs3)n2)cc1 10874247 MGLDDWRQFDJHKT-UHFFFAOYSA-N 358.488 4.261 0 40 FIAB CCn1c([C@@H](CC(C)C)NC(=O)Cc2ccccc2F)nc2cccnc21 12114144 NMJMOSXFAGRSOM-GOSISDBHSA-N 368.456 4.036 0 40 FIAB Cc1nc2cc([C@H]3CCCN3Cc3ccc(Cl)cc3)nn2c(O)c1C 12337040 CGEZXCNKQKYHAC-QGZVFWFLSA-N 356.857 4.042 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1 12507130 RLQZIIAHDXBXOF-SFHVURJKSA-N 374.271 4.175 0 40 FIAB Cc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1C1CCCCC1 12520623 PTYHFLKAWPIGCW-LJQANCHMSA-N 362.481 4.056 0 40 FIAB Cn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc21 12524813 NBXHRAAISVRXEP-SFHVURJKSA-N 351.475 4.029 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1 12555304 FGWYZWDESYHBPB-UHFFFAOYSA-N 359.401 4.085 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2nc(CN3C[C@H](C)C[C@@H](C)C3)cs2)c1 12822789 WFDVHJDCQLVLDL-HZPDHXFCSA-N 357.523 4.490 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)cc3F)c12 12947001 OVOFZMKUZIUKIG-UHFFFAOYSA-N 355.300 4.322 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@H](C)CCc3ccco3)cs2)cc1 13684202 UBKYLKWTHWWRMY-CQSZACIVSA-N 370.474 4.092 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cncc(Br)c1 14166881 SXFCCHHEMWYGCW-UHFFFAOYSA-N 374.263 4.144 0 40 FIAB CSc1nc2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2s1 14501174 DBVDOBYGMIYWRE-UHFFFAOYSA-N 367.455 4.112 0 40 FIAB Cc1ccc(-n2ncc3c(N(C)Cc4ccccc4)ncnc32)cc1Cl 17120837 CCLMJYVTZONJQE-UHFFFAOYSA-N 363.852 4.414 0 40 FIAB CCOC(=O)C[C@H](NCc1c(F)cccc1F)c1ccccc1Cl 19848572 ORMQZUZKRONMQI-KRWDZBQOSA-N 353.796 4.402 0 40 FIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc2c(c1)OCO2 20140725 ZAVMGZDAHFPVOI-UHFFFAOYSA-N 371.776 4.073 0 40 FIAB CCCOc1cccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 20141484 DPNGCAHFRWHWCC-UHFFFAOYSA-N 351.402 4.480 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1 20367331 DQVVWLYRPXTJIQ-UHFFFAOYSA-N 362.404 4.316 0 40 FIAB CC(C)C[C@](O)(c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1 20440577 MXXPUYROBLEDGR-GOTSBHOMSA-N 353.506 4.036 0 40 FIAB Cc1nc2sc([C@H](c3ccccc3Cl)N3CCCCC3)c(O)n2n1 22626030 SDTYWPJPSFTZBZ-AWEZNQCLSA-N 362.886 4.034 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C1CCCCC1 22907062 RNBKOSDJJBUYNE-FQEVSTJZSA-N 352.478 4.076 0 40 FIAB COc1ccc(CN(C)C(=O)CCCc2c[nH]c3ccccc23)cc1OC 23493517 KORYYOACULKQEK-UHFFFAOYSA-N 366.461 4.166 0 40 FIAB Cn1cc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c2ccccc21 23766648 ZPYHOSTZVDGQBE-UHFFFAOYSA-N 362.351 4.049 0 40 FIAB COc1ccc([C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)C)cc1 23771140 HNPJUYSOKVYKFQ-NRFANRHFSA-N 351.450 4.018 0 40 FIAB O=c1cc(CN2CCCCCCC2)nc2scc(-c3ccccc3)n12 23777336 IGMOBTYSRZQXDS-UHFFFAOYSA-N 353.491 4.189 0 40 FIAB CSCC[C@@H](Nc1ncnc2sccc12)c1nc2ccccc2[nH]1 24202116 WLOPRPSYHLEOHL-CQSZACIVSA-N 355.492 4.474 0 40 FIAB CN(C)[C@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccs1 25436626 LWSHQZLLZFPGNF-CYBMUJFWSA-N 373.469 4.356 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1 30274158 ULGJOASCTCBATJ-CHWSQXEVSA-N 356.491 4.322 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 30853120 UICGAEXCDNXSFJ-INIZCTEOSA-N 361.825 4.231 0 40 FIAB Cc1cc2oc(=O)cc(CSc3nnc(N)n3C3CC3)c2cc1C(C)C 31853476 HXGFTKFPSFLCGX-UHFFFAOYSA-N 370.478 4.026 0 40 FIAB C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(F)c(F)c1 32483627 HDOJMQDJLAPTMJ-CYBMUJFWSA-N 371.387 4.215 0 40 FIAB Cc1cccc(OCC(=O)Nc2noc(-c3cccc4ccccc34)n2)c1 32624306 KKZFWGWVJXFANZ-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(C)s1 32739202 PQHNLYIAOMDVCX-UHFFFAOYSA-N 350.871 4.107 0 40 FIAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCC(OCc2ccccc2)CC1 32851173 OKHLAANWNANPOP-QGZVFWFLSA-N 362.473 4.420 0 40 FIAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1sccc1-c1ccccc1 32986401 NIJZEVDNERCKDP-IBGZPJMESA-N 362.498 4.419 0 40 FIAB Cc1cccc(NC(=O)CSCc2cc(=O)c3cccc(C)c3[nH]2)c1 33063592 YEJCBNIAIMGPAF-UHFFFAOYSA-N 352.459 4.017 0 40 FIAB Cc1cccc(C(=O)Nc2c(C(=O)NCc3ccco3)[nH]c3ccccc23)c1 44170471 YLGSVSKDDMMCNO-UHFFFAOYSA-N 373.412 4.252 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)NCCCc2ccc(Cl)cc2)cc1 44906433 VXLQSNCGXHRUOK-UHFFFAOYSA-N 367.880 4.256 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc1 44946945 VWNRPSJAFMFDLW-OAHLLOKOSA-N 359.491 4.279 0 40 FIAB O=C(Nc1ccn(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccsc1 48288427 ZTJTTYOLEJPAFS-QGZVFWFLSA-N 352.463 4.362 0 40 FIAB CCc1ccsc1C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C 56011335 WVQLYNFXAMUBRS-UHFFFAOYSA-N 370.396 4.163 0 40 FIAB O=c1cc(CN(Cc2ccccc2F)C2CCCCC2)nc2ccccn12 60563358 ZFZNWWFTONFDHW-UHFFFAOYSA-N 365.452 4.169 0 40 FIAB O=C(NCc1cccc2ccccc12)NC[C@@H](c1ccco1)N1CCCC1 63798116 RQMJKDVABIWQSB-FQEVSTJZSA-N 363.461 4.069 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 63898131 SYVNMDRIFHSLTB-CQSZACIVSA-N 368.408 4.299 0 40 FIAB Cc1noc(C)c1CNC(=O)Nc1cc(Cl)ccc1N1CCCCC1 67544637 RLHKWAYTHJTJGO-UHFFFAOYSA-N 362.861 4.257 0 40 FIAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC[C@H]1c1cccc(F)c1 71818356 XGZXYNNQTOPMLI-MAIVGLDJSA-N 361.420 4.388 0 40 FIAB Cn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72358135 ZLXFESXDJLPAFF-FQEVSTJZSA-N 366.896 4.396 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Cl)[C@@H](C)CO1 76041120 GLBBLPNUAROKSF-YRNRMSPPSA-N 373.880 4.404 0 40 FIAB O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)CCN2 78403665 YATLUYUMYOPQAU-UHFFFAOYSA-N 366.442 4.248 0 40 FIAB CCc1c(C(=O)Nc2cc(C)nc(C(C)C)n2)cnn1-c1ccc(F)cc1 78404446 BIOJXYGZECJCER-UHFFFAOYSA-N 367.428 4.048 0 40 FIAB COc1ccc(C(=O)Nc2nc(Sc3ccc(C)cc3)ns2)cc1 94992875 JNAZVNBMPYXZHA-UHFFFAOYSA-N 357.460 4.259 0 40 FIAB Cc1nc2ccccc2n1CCc1nc2sc(C(C)(C)C)cc2c(=O)[nH]1 96008353 MBARWXQYIXKBEJ-UHFFFAOYSA-N 366.490 4.183 0 40 FIAB Cc1nnc2ccc(C(=O)N(C3CC3)[C@H](C)c3ccccc3Cl)cn12 101812352 VQOCITRQOGBHFM-GFCCVEGCSA-N 354.841 4.057 0 40 FIAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 102591951 WIOVCLNVOPMEEA-IIBYNOLFSA-N 372.428 4.352 0 40 FIAB CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(Cl)c1OC 102999764 DALWBXKRBUEBQG-UHFFFAOYSA-N 371.824 4.185 0 40 FIAB Cc1c([C@@H](C)NC(=O)N2CCO[C@@H](c3ccco3)C2)oc2ccccc12 122124827 PPNHOGANYZSMIN-RDTXWAMCSA-N 354.406 4.178 0 40 FIAB O=C(c1cccc(-n2cccn2)c1)N1CCS[C@H](c2cccs2)CC1 219514259 BTCKAHKFXMWZQG-SFHVURJKSA-N 369.515 4.254 0 40 FIAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)cc1C(C)C 223386999 UJVJHAKXUBWXOX-OAHLLOKOSA-N 369.461 4.389 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1 224445571 WUTPEQJEPAKOEH-IBGZPJMESA-N 361.869 4.255 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)N[C@@H](C)CC 225310977 FIQSCTXLBZMDQP-QWHCGFSZSA-N 373.324 4.425 0 40 FIAB CO[C@@H](CNC(=O)c1ccccc1Br)c1ccc(Cl)s1 225702902 NOQTWIHXHWBYPW-NSHDSACASA-N 374.687 4.282 0 40 FIAB CC(C)(C)C(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226352098 FDOIGVSXXLORRN-UHFFFAOYSA-N 366.211 4.392 0 40 FIAB CC1(C)CC(=O)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(=O)oc2C1 408605448 KFMLKNBFIPXHIJ-UHFFFAOYSA-N 367.445 4.345 0 40 FIAB COc1ccc(CCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 408703747 YARYSASLXLJCCF-HNNXBMFYSA-N 361.869 4.092 0 40 FIAB Clc1ccc(CNCc2cnn3ccccc23)c(Br)c1 512856195 LDRCCVPAPCWNCB-UHFFFAOYSA-N 350.647 4.040 0 40 FIAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(C)=O)n1 575442968 MCJSGOGJOSWCLE-UHFFFAOYSA-N 352.394 4.048 0 40 FIAB O=C(OCCc1cncs1)c1ccc(Oc2ccc(Cl)cn2)cc1 1326025504 XDDKPAVGOAFIKZ-UHFFFAOYSA-N 360.822 4.383 0 40 FIAB CCOc1ccc(NC(=O)N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)cc1 1775975801 OGSAGANAYUJGRD-HOTGVXAUSA-N 374.872 4.335 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 821798 HVJYEBVIRDYYJW-UHFFFAOYSA-N 363.442 4.339 0 40 FIAB COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(F)cc1 855409 BPJPXMWYCDAXLV-UHFFFAOYSA-N 361.438 4.225 0 40 FIAB COc1ccc2c(c1)c(C(C)=O)c(C)n2CCc1ccc(OC)c(OC)c1 897428 QJVFXZZUJGGWJG-UHFFFAOYSA-N 367.445 4.421 0 40 FIAB COc1ccc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2c1 917596 UFUNHWQIMZBZME-UHFFFAOYSA-N 367.405 4.432 0 40 FIAB c1ccc(CC2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 948021 BHSPANLKZGVOIK-UHFFFAOYSA-N 369.472 4.275 0 40 FIAB COC(=O)c1ccc(Nc2nc(C)nc3sc4c(c23)CCCC4)cc1 1006963 AHOQLBOCCGTDKT-UHFFFAOYSA-N 353.447 4.409 0 40 FIAB Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccncc1 2351782 PDILFSLJPYCZLV-UHFFFAOYSA-N 351.262 4.476 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4cccc(Cl)c4)nc32)c(C)c1 2448926 LIGAHBOXSAEBGU-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1C 2618702 WXTNTVIOSBMKJL-UHFFFAOYSA-N 372.519 4.081 0 40 FIAB Cc1cccn2cc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc12 4370825 ZMKMDOAMSFOWNK-UHFFFAOYSA-N 357.413 4.327 0 40 FIAB O=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 4854452 WKSOOTZDGKJXIQ-HXUWFJFHSA-N 367.399 4.081 0 40 FIAB COCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(=O)C1CCC1 4880987 JKHORSFAZBIDHK-UHFFFAOYSA-N 360.885 4.280 0 40 FIAB CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@H]32)O1 4946281 PQAKWFPNNZNIJB-GJUOKPEMSA-N 350.499 4.312 0 40 FIAB CCCn1c(C)cc(C(=O)COC(=O)c2cc(C)nc3ccccc23)c1C 5356656 CTZNXKDJDBHYHP-UHFFFAOYSA-N 364.445 4.411 0 40 FIAB CC(C)(C)C(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 5576155 XRYIDVBEHMRBGT-UHFFFAOYSA-N 360.870 4.176 0 40 FIAB c1ccc2c(c1)OC1(CCCC1)N1N=C(c3ccc4c(c3)OCCO4)C[C@@H]21 5603191 AJPZGUCKXGYWFU-SFHVURJKSA-N 362.429 4.272 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ncn[nH]3)ccc21 5620778 FHXHQVJXSOUBPW-LBPRGKRZSA-N 365.462 4.052 0 40 FIAB CCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2[C@H](C)CC 5675297 ZOQBVMFKJDLGCC-BDJLRTHQSA-N 361.467 4.383 0 40 FIAB O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 6284189 PWIXGFKFGXWACE-UHFFFAOYSA-N 362.901 4.031 0 40 FIAB Cc1cccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)n1 6391415 XKTLGXWBNWIETP-OVCLIPMQSA-N 362.813 4.419 0 40 FIAB COCCn1c(=S)[nH]c2scc(-c3ccccc3Cl)c2c1=O 6506190 LUBGTXBXGLOBJC-UHFFFAOYSA-N 352.868 4.087 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)CCCSc1ccccc1)OCO2 6886700 ZKRHGGHQSMZVLF-UHFFFAOYSA-N 357.431 4.129 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C 7217422 LIVVITLDLCVEPT-QGZVFWFLSA-N 372.515 4.439 0 40 FIAB CC(C)CSc1nnc(SCC(=O)Nc2cccc(F)c2)s1 7231580 FJUOHPLDWMDATK-UHFFFAOYSA-N 357.501 4.156 0 40 FIAB CCOc1ccccc1C(=O)OCc1nc(-c2ccc(Cl)cc2)no1 7414422 QFCDWUXGTSOLLB-UHFFFAOYSA-N 358.781 4.146 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 7882147 KIVABQVMIVRHHP-OXJNMPFZSA-N 364.489 4.360 0 40 FIAB CCn1c(SCc2nc3ccccc3o2)nnc1-c1ccc(OC)cc1 8270054 UCEXLEDTYITHAF-UHFFFAOYSA-N 366.446 4.407 0 40 FIAB CC(C)c1ccc(/C=C(\C(=O)N2CCCCCC2)n2ccccc2=O)cc1 9113309 MTPZLDMZDYJVDJ-HEHNFIMWSA-N 364.489 4.372 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 9154594 BIUMUQBJWCGLSK-KRWDZBQOSA-N 374.893 4.194 0 40 FIAB Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)ccc1Br 9691030 WYLNWZKLDIKDAH-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCc3ccccc3F)c12 10642826 ONEDFFAKDUAERN-UHFFFAOYSA-N 374.419 4.013 0 40 FIAB Cc1nc(COc2ccc(/C=C/C(=O)Nc3nccs3)cc2)cs1 11326671 FWWMMYBTWLTDGA-QPJJXVBHSA-N 357.460 4.139 0 40 FIAB COc1cc(CC(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)ccc1O 12144863 MTXONJKEDQLOSK-JLYLLQBASA-N 369.436 4.020 0 40 FIAB CN(Cc1ccccc1)C(=O)CCn1c(-c2ccncc2)cc2cccnc21 12222445 UIZUJDKUEJRXAH-UHFFFAOYSA-N 370.456 4.147 0 40 FIAB CCCCCc1nc2ccccc2n1CC(=O)N1CCc2ccccc2C1 12604330 KMTVFMFKTZXOEY-UHFFFAOYSA-N 361.489 4.354 0 40 FIAB C[C@H](OC(=O)C1(c2ccccc2)CCCC1)c1nc2ccccc2c(=O)[nH]1 12799852 WTXWDKDXOMJDEP-HNNXBMFYSA-N 362.429 4.039 0 40 FIAB CCc1sc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1C 12845176 VTQYDEQVNMPXMV-AWEZNQCLSA-N 354.479 4.033 0 40 FIAB Cc1cc(O[C@H](C)c2nn3c(=O)c4ccccc4nc3s2)ccc1Cl 17076170 OBUSQTQSQIDAAK-LLVKDONJSA-N 371.849 4.406 0 40 FIAB CC(C)CC(=O)N1CC[C@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 19704560 JNQBQSJXPRNVHG-AWEZNQCLSA-N 361.873 4.004 0 40 FIAB Cc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 19923779 RDEJCPRLXTWFBS-UHFFFAOYSA-N 363.383 4.368 0 40 FIAB c1cc2c(cc1[C@@H]1O[C@@H]3CCCC[C@@H]3c3cc4c(cc31)OCO4)OCO2 20436598 WDHGTNCMVJMBMN-FQWGINHLSA-N 352.386 4.290 0 40 FIAB O=C(Nc1ccccc1Cl)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20737570 YKMUXOXCYWHDDN-INIZCTEOSA-N 366.808 4.375 0 40 FIAB CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2cc(OC)ccc21 22235742 JOWCNXJCQBYNIL-UHFFFAOYSA-N 364.445 4.406 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)[C@H](C)CC)c1ccccc1 24131924 MUFJFRUCONTSQV-BEFAXECRSA-N 355.434 4.354 0 40 FIAB Cc1ccc([C@H]2C[C@H](c3cccc(Br)c3)Nc3ncnn32)cc1 26894611 DQRPXIQJPSCWTE-IAGOWNOFSA-N 369.266 4.495 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCCC[C@@H]3C)co2)cc1 31424520 HBENUPGYAAODPH-KBXCAEBGSA-N 374.506 4.278 0 40 FIAB CCN(CC)C(=O)CSc1nnc(Nc2ccc3ccccc3c2)s1 32925879 WEJAVWGIONSVKL-UHFFFAOYSA-N 372.519 4.395 0 40 FIAB Cc1ccc(C[C@H](C(=O)O)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 35142024 HWPYXNZTJGFSAT-CJNGLKHVSA-N 359.853 4.475 0 40 FIAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)cc1 36616631 MAQLFBKEZSVNAA-UHFFFAOYSA-N 370.412 4.090 0 40 FIAB COc1ccccc1CN(CCCn1ccnc1)Cc1c[nH]c2ccccc12 36740317 KXTIYBUTUZCHDG-UHFFFAOYSA-N 374.488 4.466 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(N(C)C)cc3)[C@@H](C(C)=C[C@H]1C)[C@H]2C 38549696 UFMOTNAISQKEDK-COOHWBHVSA-N 357.494 4.222 0 40 FIAB biogenic C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 38832821 DUJMFFOAICBBPW-LPHOPBHVSA-N 356.897 4.429 0 40 FIAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl 38850212 VCGJEOIBQGFXBL-INIZCTEOSA-N 358.869 4.199 0 40 FIAB Cc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44909685 QPOULKAHGSAYMM-OAQYLSRUSA-N 368.496 4.095 0 40 FIAB O=C1CC2(CCN(c3cc(-c4ccccc4)ncn3)CC2)Oc2ccccc21 49597415 WHFVGMVZQLSACU-UHFFFAOYSA-N 371.440 4.148 0 40 FIAB O=C(c1ccc2ccccc2n1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 50380047 PNHCVGULDZHBHV-LJQANCHMSA-N 364.420 4.195 0 40 FIAB O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1CCCC[C@H]1C(F)(F)F 57142947 XJSDCZATCBJUDR-UONOGXRCSA-N 352.356 4.327 0 40 FIAB Cc1cc(-c2noc(CCC(=O)NC3CCCCCCC3)n2)ccc1F 57400999 XUVYIMAZQWDMLV-UHFFFAOYSA-N 359.445 4.346 0 40 FIAB CCN(C(=O)N[C@@H](C(=O)N1CCC(C)CC1)c1ccccc1)[C@@H](C)C(C)C 58174927 JMYOZXKNWUJAEO-AZUAARDMSA-N 373.541 4.062 0 40 FIAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(C)=O 72214772 KFMGRYCXHCZXHY-KRWDZBQOSA-N 361.486 4.307 0 40 FIAB COc1cc(C(=O)NCc2cccc(Cl)c2)nc2c(C)cc(F)cc12 72329512 LXUKVVAMHKWCCS-UHFFFAOYSA-N 358.800 4.274 0 40 FIAB COc1ccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 72390078 OSQUWYWXPCTAJM-OAHLLOKOSA-N 355.463 4.186 0 40 FIAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccc2[nH]ccc2c1 72404719 NGMOPHNTDQLUCX-UHFFFAOYSA-N 350.809 4.474 0 40 FIAB C[C@@H](C(=O)N(C)Cc1ccccc1)[S@@](=O)Cc1ccc(C(C)(C)C)cc1 78530189 NGFJKNJAIBOYJK-MRDQGFSESA-N 371.546 4.280 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)C(C)(C)C 79025012 BQYCPGGXDFNFHG-WMLDXEAASA-N 358.507 4.078 0 40 FIAB COCCn1cc(CC(=O)Nc2cccc3ncccc23)c2ccccc21 79487786 DCPIBBNIORXSAI-UHFFFAOYSA-N 359.429 4.017 0 40 FIAB Cc1cccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)c1C 101275311 XIQIPZKYIYKACE-CQSZACIVSA-N 363.244 4.354 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 102614754 GFFYXPWATCZTPU-SLUIBLPYSA-N 369.461 4.098 0 40 FIAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)nc2c1 120203356 HNDAYBRCMXHEOI-MRXNPFEDSA-N 372.472 4.301 0 40 FIAB CCOc1ccccc1C(=O)NCc1ccc(C(=O)c2ccsc2)s1 211083721 GMVZWXSLQDZLJH-UHFFFAOYSA-N 371.483 4.369 0 40 FIAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2cccc(OC)c2)c1 223138435 VJHOZKLHNIDSOL-OAQYLSRUSA-N 355.478 4.294 0 40 FIAB COc1ccc(C(=O)NC[C@H]2CCCO2)cc1CSc1ccc(C)cc1 224334727 HCDDUJKJYSWJIM-GOSISDBHSA-N 371.502 4.205 0 40 FIAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225698832 CKUAEIIIYKORFN-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB Cc1ccc2nc3c(cc2c1)[C@@H]1OCC2(CCNCC2)C[C@H]1C(C)(C)O3 257240635 HUKZSWKALHOFFL-MJGOQNOKSA-N 352.478 4.162 0 40 FIAB Nc1ccccc1SCC(=O)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 408531046 LQZXIQQFMAJNIY-CRAIPNDOSA-N 366.511 4.363 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1F 408707999 NATRCMKANKKHGD-CYBMUJFWSA-N 360.816 4.088 0 40 FIAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3C)c(=S)o2)cc1 409156813 USKSMXXWZPCWTK-UHFFFAOYSA-N 353.447 4.437 0 40 FIAB O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 528838382 FWAMXVDQUFAWDQ-NJYVYQBISA-N 371.427 4.183 0 40 FIAB O=C(NCc1cccc2c1CCCN2)c1ccc(F)c(COCC2CC2)c1 585088556 QTTWKXBYTUXRCL-UHFFFAOYSA-N 368.452 4.040 0 40 FIAB CC(C)(C(=O)N1CC[C@H]2OCCC[C@@H]2C1)c1ccc(Cl)c(Cl)c1 1333757602 SHUHQNFJWKZLRC-MLGOLLRUSA-N 356.293 4.299 0 40 FIAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1ccccc1Cl 1321136 CVRWOXHVVMSXRJ-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)cc1Cl 2423585 NRUYGGXEEXVVNP-UHFFFAOYSA-N 366.856 4.473 0 40 FIAB O=c1c2cc(N3CCCCC3)ccc2[nH]c(=S)n1Cc1ccccc1 2974096 XULMUEIDWKLZFA-UHFFFAOYSA-N 351.475 4.098 0 40 FIAB COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)NC2=S)c1 3261524 YPPAQBTVRSDRAI-WQRHYEAKSA-N 352.459 4.081 0 40 FIAB O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1cccc2ccccc12 3292177 QGNWVNWAFDCRTK-UHFFFAOYSA-N 371.339 4.237 0 40 FIAB O=C(CCCc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1 4033047 GJHWGNHCNFGQTQ-UHFFFAOYSA-N 356.429 4.358 0 40 FIAB COCCN(C(=O)c1ccccc1F)c1nc(-c2ccccc2)cs1 4188838 UMIVLSBCOSNZDV-UHFFFAOYSA-N 356.422 4.242 0 40 FIAB COc1ccc(-c2nnc3sc(/C=C/c4ccccc4)nn23)cc1OC 4511726 UDTDPHWPECGFPI-DHZHZOJOSA-N 364.430 4.040 0 40 FIAB COC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)nc1C 4545273 GPXKRHSWXHZBOJ-GQCTYLIASA-N 371.245 4.197 0 40 FIAB CCc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 4695556 SDKHHRYJKFSZQK-UHFFFAOYSA-N 352.203 4.168 0 40 FIAB Cc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)Nc2cccc(C)c2)c1 4697290 SHWKPSRQAGMRCR-ALFLXDJESA-N 360.457 4.319 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2nc(Cl)ccc2Cl)cc1 4767551 APLCDUPZXZIXHB-JTQLQIEISA-N 368.216 4.215 0 40 FIAB Cc1ccc(Cn2cccc(C(=O)Nc3ccc(Cl)cc3)c2=O)cc1 4940373 IVHHRRONJFHICR-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB O=C(/C=C/c1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 5394952 QLEVWGBNSRNYGD-BJMVGYQFSA-N 361.272 4.355 0 40 FIAB Cc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCCC1=O 5440712 JMFHIOVPHOWLHC-UHFFFAOYSA-N 373.250 4.137 0 40 FIAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 5516742 LRFJRUGTQMDSGS-CCEZHUSRSA-N 373.859 4.144 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1c2ccccc2C[C@H]1C 5578554 UUGCZBRVXGPDRQ-CYBMUJFWSA-N 351.837 4.426 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2cccc(Cl)c2)cc1 5781882 AGLUSUGIXDJKDH-TZIYXEQSSA-N 357.837 4.486 0 40 FIAB CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(C(C)C)cc2)c1 5849279 DHQNFDRWHJKREY-UHFFFAOYSA-N 354.450 4.422 0 40 FIAB CCCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC1=S 5898225 AZXGIRKEJJYSSG-VBKFSLOCSA-N 374.550 4.455 0 40 FIAB O=C(COc1ccccc1Cc1ccccc1)N(Cc1cccnc1)C1CC1 6552191 WVYJHIFUEYDQGE-UHFFFAOYSA-N 372.468 4.242 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(s2)CCC3)c(Cl)c1 6790208 MYABWNKAVPEQRJ-UHFFFAOYSA-N 363.866 4.303 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)s1 7220429 NDMXJVCCNRRNEE-UHFFFAOYSA-N 355.488 4.490 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Br)cc1 8050873 LHZJUOQQZABCMA-AWEZNQCLSA-N 364.239 4.254 0 40 FIAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104796 DGRMSJGVEFPULY-CQSZACIVSA-N 366.442 4.045 0 40 FIAB CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccc(F)cc1 8254001 SMGSISYMLAERHX-UHFFFAOYSA-N 367.848 4.193 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccnn1Cc1ccsc1 9451302 SQJCLLLWHOSREY-UHFFFAOYSA-N 363.442 4.164 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10503787 QTWBVRLZSXCLRC-INIZCTEOSA-N 356.429 4.131 0 40 FIAB COc1cc(C)c(NC(=O)COc2cccc3ccccc23)cc1OC 11605288 SZNUOASXEUBKLX-UHFFFAOYSA-N 351.402 4.183 0 40 FIAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cc2ccccc2o1 12879845 UXRXGJTYAWSNQW-UHFFFAOYSA-N 358.401 4.229 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c(C)c1 14094438 DFWRTUWZBPVSFQ-KDOFPFPSSA-N 368.477 4.016 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)C2CC2)s1 14776883 QRNKCPSBSAXTJX-UHFFFAOYSA-N 366.845 4.161 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)c2ncccc12 15840687 WUNDSIIMZVJQIP-MRXNPFEDSA-N 354.381 4.179 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)c2ncccc12 15840693 DYHYQIGRKWTFKY-KRWDZBQOSA-N 354.381 4.179 0 40 FIAB CCC(=O)c1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 16093294 YUSBOQUXXGJIDR-UHFFFAOYSA-N 358.337 4.066 0 40 FIAB COc1ccc(NC(=O)CCCc2nc(-c3ccccc3)no2)cc1Cl 16226866 MAXPVUZCWRNXHW-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB O=C(NCc1ccc(F)cc1)c1ccc(CN2CCc3ccccc32)cc1 20490581 OQUMZUHCSIXEPU-UHFFFAOYSA-N 360.432 4.318 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)c1C 22518486 KEJXIHJFOVZJSB-INIZCTEOSA-N 361.482 4.259 0 40 FIAB COc1cc(C(=O)Nc2cccc(SC)c2)cc(Br)c1O 25418630 SIVNMTXUHPRYIF-UHFFFAOYSA-N 368.252 4.138 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCCOc1ccc(Cl)cc1 26256616 JIULYZYHXNVICV-UHFFFAOYSA-N 373.840 4.210 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 27664143 GTJALOXKURQZTH-VIFPVBQESA-N 350.802 4.495 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCO[C@H](c2ccccc2)C1 27910510 SDFMBCGLSMTKLR-QFIPXVFZSA-N 358.441 4.271 0 40 FIAB Cc1cc(F)ccc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578610 IBEBSAASKWIVIV-UHFFFAOYSA-N 369.396 4.325 0 40 FIAB CCOC(=O)c1ccoc1CNc1ccc(NC(C)=O)cc1C(F)(F)F 32770314 DOZZZKJABWQCQS-UHFFFAOYSA-N 370.327 4.046 0 40 FIAB CCn1nc(C)c(NC(=O)c2cc3occc3n2Cc2ccccc2)c1C 36366123 SWWQWJJYJKUXOY-UHFFFAOYSA-N 362.433 4.368 0 40 FIAB CCn1nc(C)c(CN(CCCn2ccnc2)Cc2ccccc2C)c1C 36740166 DENLQMGDMXSMFT-UHFFFAOYSA-N 365.525 4.117 0 40 FIAB COc1ccc(CC(=O)N2CCSc3ccc(Cl)cc32)cc1OC 40071167 QVCPLXCPQJZHIH-UHFFFAOYSA-N 363.866 4.039 0 40 FIAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cc(-c2ccccc2F)on1 40087407 MSLXFBOPSAVGDK-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1 40096435 AIQGJFARLILCAB-UHFFFAOYSA-N 353.466 4.044 0 40 FIAB O=C(NCCSCc1cccs1)[C@@H]1CCCO[C@@H]1c1ccccc1 40156162 VXQCCYXYKLPIIV-QZTJIDSGSA-N 361.532 4.265 0 40 FIAB C[C@H](CNC(=O)c1cc(-c2cccs2)on1)Oc1ccc(Cl)cc1 41155679 QYIUAXXYYOLEIH-LLVKDONJSA-N 362.838 4.254 0 40 FIAB Cc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)[nH]c2c1C(=O)CCC2 43500357 VZZWAKONUJZFOP-UHFFFAOYSA-N 364.367 4.133 0 40 FIAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2C)cc1 44355144 YIJVODFKLFFLLC-IBGZPJMESA-N 355.482 4.323 0 40 FIAB CC(C)CN1CCC(NC(=O)N(C)Cc2cccc3ccccc23)CC1 45462393 BZBXGEJVJXCWOO-UHFFFAOYSA-N 353.510 4.102 0 40 FIAB CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1csc(-c2ccccn2)n1 48366248 JPZYXICMIXLBJC-INIZCTEOSA-N 370.865 4.445 0 40 FIAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2cccc(Cl)c2)CC1 52635639 UOHPUIYEVWJYAS-OAHLLOKOSA-N 368.868 4.273 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1C 57498280 SMMRBKSELBPOKW-UHFFFAOYSA-N 367.367 4.220 0 40 FIAB COc1c(F)cc(NC(=O)c2csc(-c3ccccc3F)n2)cc1F 63696342 KLILFYSOTXJTBM-UHFFFAOYSA-N 364.348 4.488 0 40 FIAB CC(C)Cc1ccc(C(=O)C2CCN(c3cc(Cl)nc(N)n3)CC2)cc1 70040611 YXZCLBAOXYZFHV-UHFFFAOYSA-N 372.900 4.010 0 40 FIAB CC(C)n1ncc2c(C(=O)Nc3c(F)cccc3F)cc(C3CC3)nc21 71282031 BKNNBJNZJLIRHC-UHFFFAOYSA-N 356.376 4.420 0 40 FIAB COc1cc(C(=O)N[C@H](CCN(C)C)c2ccc(F)cc2)cc2occc12 72259205 QOSSCLHFSXLUCW-GOSISDBHSA-N 370.424 4.003 0 40 FIAB CN(c1ncnc2sc3c(c12)CCCC3)[C@H](CCO)c1ccccc1 76093029 WMJWLTNSMXPKJU-MRXNPFEDSA-N 353.491 4.130 0 40 FIAB C[C@H]1CCN(C)c2ccccc2N1Cc1nc(Cc2ccc(F)cc2)no1 76093218 BKWARRKLJXEQDD-HNNXBMFYSA-N 366.440 4.035 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C1(C)C 84213315 XWQAUUUIXIFMIN-VQIMIIECSA-N 354.494 4.408 0 40 FIAB C[C@@H](OC(=O)c1ccc2[nH]ncc2c1)c1nc2ccccc2n1C(F)F 84667856 AWOZHHVRHBCMTR-SNVBAGLBSA-N 356.332 4.226 0 40 FIAB Cc1ccc(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cc1Cl 89955435 GQDINIKZLBJBJS-ZDUSSCGKSA-N 355.825 4.232 0 40 FIAB CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccccc3F)c2C1 96013476 WAVMVMSQKOPJND-CQSZACIVSA-N 362.470 4.131 0 40 FIAB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 96031181 XEKDDLIAJWEAHP-JIGCXDOESA-N 374.521 4.347 0 40 FIAB in-vitro CCCNC(=O)[C@@]12CC[C@](C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C 100528117 ATWQGOUWTPWHOB-FGZHOGPDSA-N 351.494 4.102 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](C)c1ccccc1 103587224 GOJYTDMELMKTJF-FKVWROMMSA-N 358.526 4.221 0 40 FIAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCc3ccccc3C1)C2 104489198 ZDEGWONPYAWLCN-ADYITMSISA-N 357.538 4.027 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccc(F)cc1)c1ccc(F)cc1 196686420 QZVCIMWYUAQQIJ-UHFFFAOYSA-N 359.397 4.360 0 40 FIAB NC(=O)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 216795117 CHHFTTDLJYMIJB-UHFFFAOYSA-N 351.587 4.010 0 40 FIAB CCOC(=O)c1ccc(OCc2cccc(F)c2)c(Br)c1 216818048 KBBSBTZQYCBEKQ-UHFFFAOYSA-N 353.187 4.344 0 40 FIAB O=C(O)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 216919848 NYUHNZMYNRYGKZ-UHFFFAOYSA-N 351.587 4.344 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(F)cc1 219038642 ZQDPYWBBBLJOQY-MRXNPFEDSA-N 351.421 4.495 0 40 FIAB O=C(c1cc2ccccn2c1)N1CCS[C@@H](c2ccccc2F)CC1 219122920 YDBOJMUTCRBOLW-LJQANCHMSA-N 354.450 4.399 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219295974 ZFPANUHVBLVUSW-YJBOKZPZSA-N 371.477 4.301 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(OC)c(OC)c1 219311043 CDIGFLCZNYZAQZ-WMZOPIPTSA-N 371.477 4.355 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 219498648 RLEGDEIFUYEDLB-OAHLLOKOSA-N 355.434 4.423 0 40 FIAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1ccc(F)cc1F 222965107 IOQBKEAFGKQJBP-SECBINFHSA-N 352.178 4.319 0 40 FIAB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 222968607 OASUYSLOVJCHQS-HZPDHXFCSA-N 353.462 4.219 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2c(C)nc3ccc(C)cn23)cc1 223148633 PNPPCJFMEKZXOF-UHFFFAOYSA-N 365.433 4.160 0 40 FIAB C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)C1 223930360 VCLFLDHMHKIZOO-CQSZACIVSA-N 374.941 4.458 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 223975480 SOFUHERQTKASJH-GFCCVEGCSA-N 371.308 4.179 0 40 FIAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SC)s1 224436082 WXZLHTUKJZBRTI-JTQLQIEISA-N 359.929 4.423 0 40 FIAB Cc1ccc(CCC(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224666843 NVBJUUGYMUPXDD-UHFFFAOYSA-N 350.506 4.230 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)C2(OC)CCCCCC2)cc1Cl 225632535 MCAPAAMBNQUEQH-AWEZNQCLSA-N 369.889 4.432 0 40 FIAB CO[C@H](CNC(=O)NCCCc1ccccc1)c1ccc(Cl)s1 225709312 QYNPWOKBWOZXDE-CQSZACIVSA-N 352.887 4.021 0 40 FIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225847479 OJBJTMSGKJIAFS-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB CCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 226267352 AIGDNUHSHVPOGN-UHFFFAOYSA-N 353.466 4.300 0 40 FIAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@@](C)(CO)O2 245236561 UJHGQFKKYLHYKM-OARMXLMKSA-N 366.542 4.291 0 40 FIAB Cc1cc(NC(=O)NC[C@H](C)c2nccs2)cnc1N1CCCC[C@@H]1C 580379438 ANVZTXUERJLDFE-GJZGRUSLSA-N 373.526 4.151 0 40 FIAB COc1ccccc1-c1nn2c(CSCc3ccccc3)nnc2s1 1501039909 KJXHVIZXXCGMGK-UHFFFAOYSA-N 368.487 4.295 0 40 FIAB Cc1ccc(NC(=O)Cc2cc(Cl)cc3ccccc23)cc1C(N)=O 1529878875 PSIHWEOCYZEXKE-UHFFFAOYSA-N 352.821 4.082 0 40 FIAB Cc1nc(C(F)F)cc(N2CCN(c3cc(Cl)ccc3C)CC2)n1 1888876229 QMFHCZVEWMLRGA-UHFFFAOYSA-N 352.816 4.011 0 40 FIAB COc1ccc2cc(Br)ccc2c1CC(=O)NC(C)(C)C 703757 IBPQSUDGMCWKPZ-UHFFFAOYSA-N 350.256 4.068 0 40 FIAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccc(Cl)cc2)C1 827434 LWRRRIJTASOFKG-GOSISDBHSA-N 363.244 4.451 0 40 FIAB O=C(c1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 882091 IBJVKMZDEZDAGM-HNNXBMFYSA-N 354.431 4.229 0 40 FIAB Cc1cccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 1438082 HHLZPQZYWLJPRX-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB COc1ccc(CC(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 2136142 AQUHNLPTIQTAQB-UHFFFAOYSA-N 369.273 4.058 0 40 FIAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OCC)cc3)n3ncnc3N2)cc1 2336112 HYYQHWHMDZOLQM-VQTJNVASSA-N 364.449 4.222 0 40 FIAB COc1cccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 2363743 YLFYDTOPWRQYQX-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB O=C(Nc1ccc(Cl)nn1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2653478 VHDVATVTCHMWHW-UHFFFAOYSA-N 369.652 4.420 0 40 FIAB CCc1ccccc1NC(=O)c1nn(CCC(C)C)c(=O)c2ccccc12 2660458 RGJXMKRZKYGXKA-UHFFFAOYSA-N 363.461 4.257 0 40 FIAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCc1c(Cl)cccc1Cl 3266263 YTOJMSUTNQCXPW-HNNXBMFYSA-N 370.232 4.084 0 40 FIAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCCCC1 3324638 VFIRVGVIXDCKHX-UHFFFAOYSA-N 369.515 4.463 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1 4156884 DLYYIJHVVPFRMB-UHFFFAOYSA-N 369.490 4.410 0 40 FIAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ns1 4167251 YYTQRBBOFZPTOP-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB Cc1ccc(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc3c2cnn3C)c(C)c1 4272744 AJNUACNRVJFJTC-HUUCEWRRSA-N 364.497 4.206 0 40 FIAB CCCCN1C(=O)[C@](O)(CC(=O)c2c(C)cc(C)cc2C)c2ccccc21 4554909 QXWOXOKOUXPHMK-QHCPKHFHSA-N 365.473 4.219 0 40 FIAB Clc1cccc(-c2cn3cc(I)ccc3n2)c1 4741518 NPOLGMDNVXEOJI-UHFFFAOYSA-N 354.578 4.259 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4835031 SLJTYJWNXXXMAW-JTQLQIEISA-N 367.207 4.124 0 40 FIAB Cc1c(C(=O)NCc2ccccc2)sc2nc(-c3ccc(F)cc3)cn12 4930901 PTFKPUOKCYLOQT-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB c1ccc2c(c1)OC[C@@H](CN1CCC(c3nc4ccccc4s3)CC1)O2 4967391 JKCDJIJATSFBGF-MRXNPFEDSA-N 366.486 4.316 0 40 FIAB CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CC[C@@H]3CC(=O)CC[C@]3(C)[C@H]12 5383371 ZZLUZIDJVCYWKL-URZCPNRQSA-N 374.521 4.345 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 6009198 VGBKZNXOXOJGEP-ZDLGFXPLSA-N 369.442 4.249 0 40 FIAB Cc1ccc(-n2ccnc2SCC(=O)Nc2cccnc2Cl)c(C)c1 6081051 UWYSNXVYZGXHAK-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB COc1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1OC 6510666 RKCJANUYCLJCFE-UKTHLTGXSA-N 368.820 4.011 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1csc(-c2cccc(Cl)c2)n1 6553392 WZHOJEJQYKCAKS-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB CCCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1OC 6891104 NBSCEEMODCXQSX-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB O=S(=O)(Nc1cccc2cccnc12)c1cccc(Cl)c1Cl 7709457 OAFWDMUQHLAILT-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(-n2cccn2)cc1 7735163 SIRPHUFKJACEHF-UHFFFAOYSA-N 361.401 4.166 0 40 FIAB CSc1ncccc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 7786041 NHSUBVFIOZVSBW-GOSISDBHSA-N 372.490 4.092 0 40 FIAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1O 7886216 PYCLPKLQYBGUPJ-SFHVURJKSA-N 358.825 4.173 0 40 FIAB Cc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)s1 8039415 FVRFKVVIZTZELX-UHFFFAOYSA-N 355.488 4.490 0 40 FIAB COc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1Cl 8135267 ZIPWFAUUBQCHGL-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N2CCc3ccccc3C2)c1 8344169 RHIRTIQIEIKBGY-UHFFFAOYSA-N 362.429 4.069 0 40 FIAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2C)n1 8476645 BDVRVOJVFBWQIQ-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB CC(C)C1CCC(C(=O)N[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)CC1 9195352 HQZOXHDKVHUKNP-QUWFBVPJSA-N 372.553 4.467 0 40 FIAB O=C1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)CN1c1ccccc1 9318008 UNJSRMBYCAGXKH-CYBMUJFWSA-N 373.334 4.276 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccc(Br)cc1Br 9454804 ATXSFZZQJZWLRC-UHFFFAOYSA-N 374.032 4.069 0 40 FIAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc2[nH]nnc2c1 9749563 AYNPTQQURSCLNF-LJQANCHMSA-N 362.820 4.131 0 40 FIAB CCOc1ccccc1CCCNC(=O)CCCOc1ccc(C)cc1 10111063 FPNNPEHUZCTKEA-UHFFFAOYSA-N 355.478 4.302 0 40 FIAB O=C(COc1cccc2c1CCC2=O)Nc1cccc(Cl)c1Cl 10197750 FJFXAEWAJXKIIT-UHFFFAOYSA-N 350.201 4.140 0 40 FIAB CCOc1ccc(CN(CC)C(=O)Nc2ccc(F)cc2F)cc1OC 10405495 IYAJVMYCZHUPDR-UHFFFAOYSA-N 364.392 4.426 0 40 FIAB C[S@@](=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 10412567 ATDMEHHCYVPGDN-WNSKOXEYSA-N 365.907 4.044 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 10891428 SOUOCHIPILCFCA-INIZCTEOSA-N 362.429 4.087 0 40 FIAB COc1ccc(CNC(=O)c2sc3cc(F)ccc3c2Cl)cn1 10991469 POLOYVPWWZTZIK-UHFFFAOYSA-N 350.802 4.027 0 40 FIAB Cn1cc([C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c2ccccc21 12330342 JCXCNWJVSOOQRF-QFIPXVFZSA-N 350.437 4.140 0 40 FIAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccccc3Cl)o2)N1 12539200 ACFIMXLNRRQQFB-KRWDZBQOSA-N 363.808 4.046 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCC(C)CC3)cc2)cc1 12560163 NXRFNMOXSXPQBZ-KRWDZBQOSA-N 367.493 4.371 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 12773567 YAYZQJKFLUUJJM-UHFFFAOYSA-N 374.893 4.340 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1OC 12792250 NEPXIZFKMJJMCA-UHFFFAOYSA-N 368.458 4.100 0 40 FIAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnc2ccccc2c1 12823722 USGDPGKFNLEDRL-NRFANRHFSA-N 357.413 4.138 0 40 FIAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3cccc(F)c3)ccc2c1 12887062 ABECIHDVNQXGCT-OAHLLOKOSA-N 366.436 4.447 0 40 FIAB COc1ccc(NC(=O)c2ccc(COC(C)C)cc2)cc1OC(F)F 13005373 RIQIIRNTOPGSTH-UHFFFAOYSA-N 365.376 4.474 0 40 FIAB Cc1ccc(-n2cnn(CN(C)Cc3ccccc3)c2=S)cc1Cl 13074144 XEEWCXWAMCSCMF-UHFFFAOYSA-N 358.898 4.455 0 40 FIAB Cc1ccc(CSCC(=O)NCCSCc2ccccc2F)cc1 13612617 SEGHTQJSURFNRE-UHFFFAOYSA-N 363.523 4.417 0 40 FIAB COc1ccc(Cn2nccc2NC(=O)Cc2cccc3ccccc23)cc1 13727482 ZJYDHQDTQRUXDN-UHFFFAOYSA-N 371.440 4.274 0 40 FIAB COc1ccc(-c2cc(C(=O)Oc3ccccc3Br)no2)cc1 15669817 HNXFZFBVFOYUCN-UHFFFAOYSA-N 374.190 4.332 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)COc3cccc(C)c3C)cs2)cc1 15832561 GBFAVRKBOLUSBH-UHFFFAOYSA-N 366.486 4.431 0 40 FIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 16751697 MLMXNPLEJCJZOD-KRWDZBQOSA-N 353.805 4.402 0 40 FIAB Cc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)NCc2cccs2)c1 18443542 NOKNEYIFNLALOY-OAHLLOKOSA-N 371.531 4.348 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N[C@H](c1ccccn1)C2 19550748 CHBFKWHTKYQGAU-UGKGYDQZSA-N 364.420 4.214 0 40 FIAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(Cc1ccccc1)C3 19882334 GYYUCVFVZBTUIK-UHFFFAOYSA-N 367.832 4.287 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC(C)C 20040111 YYOFAPUPEYCKSB-KRWDZBQOSA-N 374.868 4.274 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c1 20143843 CBTKPZYZFAGUTE-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20242045 SWPIJELHJISQGF-AWEZNQCLSA-N 356.491 4.334 0 40 FIAB C[C@@H]1C[C@@](CCN(CC#N)Cc2ccco2)(c2ccccc2)[C@@H](C)CN1C 22022733 KQLMCHVACXZLRA-MIZPHKNDSA-N 365.521 4.293 0 40 FIAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1cccs1 22076393 WMAWNSMGSVDNBP-LJQANCHMSA-N 369.486 4.159 0 40 FIAB COc1cc(NC(=O)/C=C/c2cccc(Cl)c2)ccc1N1CCCC1=O 22284310 GTEAPGPMTGCKBU-JXMROGBWSA-N 370.836 4.127 0 40 FIAB CCCCC(=O)Nc1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1 22500257 OJOGRINICFVXEG-UHFFFAOYSA-N 369.852 4.476 0 40 FIAB O=C(c1ccc(-n2cccc2)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 23384862 UFEDGZPBPCJECO-QFIPXVFZSA-N 360.457 4.063 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)c1ccn(COc2ccccc2Cl)n1 28236067 KEJRYFPVIDGHFT-UHFFFAOYSA-N 367.836 4.314 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccc(N2CCCC2=O)cc1 28255795 WGAXXIARFLBOOS-UHFFFAOYSA-N 364.228 4.268 0 40 FIAB CN1CCN(C(=O)CCCc2c[nH]c3ccccc23)[C@@H](c2ccccc2)C1 30029008 KQXSLKPAQZJJQM-JOCHJYFZSA-N 361.489 4.006 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 30864121 SVOMGQNVWBSVPE-YJBOKZPZSA-N 357.450 4.047 0 40 FIAB CN(Cc1nccn1C(F)F)C(=O)c1ccccc1Oc1ccccc1 31151776 JNVIUHGDXGDZSQ-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB COc1ccccc1OCCNC(=O)c1sc2cccc(F)c2c1C 31244629 UKTIDOFYKGEUPB-UHFFFAOYSA-N 359.422 4.166 0 40 FIAB COc1cc(C(C)=O)ccc1OCc1noc(-c2ccc(Cl)cc2)n1 31701687 QTCGMESFUGICTA-UHFFFAOYSA-N 358.781 4.180 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Cn1cc(C(C)=O)c2ccccc21 32106330 JHIZWGCCILHUTK-UHFFFAOYSA-N 356.809 4.145 0 40 FIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)C1=Cc2cc(Cl)ccc2OC1 32809967 MDSSYHFEDMLHDK-UHFFFAOYSA-N 351.793 4.145 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)Cc1ccccc1Cl 32912119 DKFDJSOKUKQGKL-UHFFFAOYSA-N 367.880 4.126 0 40 FIAB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)cc1 35043302 XFQUEPNFJWWQRO-MHWRWJLKSA-N 371.849 4.381 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(Nc2ncccn2)c1 40060179 KSVYENCZATWPQZ-KRWDZBQOSA-N 364.474 4.431 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)NC(C)C)c2)c(C)c1 40081761 ILHIIKQHJKSAJK-UHFFFAOYSA-N 369.465 4.159 0 40 FIAB Cc1nc(COc2ccc(C(=O)N(C)[C@@H](C)c3ccc(C)s3)cc2)no1 40155947 OPOAQCKFMLLGRF-ZDUSSCGKSA-N 371.462 4.160 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 44901028 GVXYTUCTNBOJPU-IBGZPJMESA-N 363.413 4.042 0 40 FIAB C[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 45413521 ISIFZWCETWYMOH-AUUYWEPGSA-N 351.446 4.463 0 40 FIAB O=C(/C=C/c1cccs1)N1CCC(Oc2nc3ccccc3s2)CC1 49430745 INPQQJBQCDCHJY-BQYQJAHWSA-N 370.499 4.441 0 40 FIAB CN(Cc1ccsc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 57405619 MQDQDCZSDZDQMP-UHFFFAOYSA-N 367.499 4.345 0 40 FIAB CCCNC(=O)c1ccc(NC(=O)C(C)(C)c2ccccc2)cc1Cl 60017076 QESFZVGGLWBDDF-UHFFFAOYSA-N 358.869 4.396 0 40 FIAB COCc1nc(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cs1 65068345 XTIXZJIHOKMPAM-UHFFFAOYSA-N 364.898 4.185 0 40 FIAB Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1 71751970 MXLQNKJHAQQMGM-CYBMUJFWSA-N 354.841 4.019 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc2cccc(OC)c2o1 73742526 QZFXWXLTRBFPPK-ZDUSSCGKSA-N 366.417 4.222 0 40 FIAB CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc(Cl)cc1 96191648 PWMHNPRPFWTIFQ-INIZCTEOSA-N 356.809 4.156 0 40 FIAB C[C@@H](NC(=O)c1ccc(OCc2cccnc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105717782 YRZNUHQVFWQOSY-DFPKUZHUSA-N 350.462 4.215 0 40 FIAB Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc(-n3cnnc3)cc2)cc1 133693613 NLRVRNDJCBCYKP-UTKZUKDTSA-N 360.461 4.189 0 40 FIAB COC(=O)c1cn(C(=O)COc2c(C)cc(C)cc2Cl)c2ccccc12 216803143 XGRHGADNEFZYGN-UHFFFAOYSA-N 371.820 4.417 0 40 FIAB COC(=O)c1cn(C(=O)c2ccc(N3CCCCC3)cc2)c2ccccc12 222604717 OUKUTLKRAVBTGS-UHFFFAOYSA-N 362.429 4.107 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1 223720424 ITAOGTKKEHUZRH-CQSZACIVSA-N 353.447 4.228 0 40 FIAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1 224093998 QOFNYKJJZUPWNW-UHFFFAOYSA-N 365.404 4.343 0 40 FIAB O=C(Nc1cccc(F)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225578096 IIQDOYPUYFXZHS-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225796712 DNZNJJBRRQIGLG-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB C1=C(c2nn3c(-c4ccccc4)nnc3s2)CCN(Cc2ccccc2)C1 226250563 MEOVXDXIVKFIHR-UHFFFAOYSA-N 373.485 4.142 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 244390477 YFGPDPUEOZAPAN-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB CC(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408708393 YYUXNXGTOZMGRD-UHFFFAOYSA-N 365.260 4.372 0 40 FIAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccco1 408731724 PJQPRUHDUJSUTI-KRWDZBQOSA-N 356.447 4.397 0 40 FIAB CN(C)Cc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1 523381727 RVCQPYWVIIEVDO-UHFFFAOYSA-N 370.456 4.339 0 40 FIAB O=C1N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)N1c1cccc2cccnc12 552774330 IADLBRMVZTZASR-HKUYNNGSSA-N 371.440 4.170 0 40 FIAB Cc1ccc(-c2n[nH]cc2CN2CCCCC[C@@H]2c2c(C)n[nH]c2C)o1 580679352 UELIZGILWZKBOD-QGZVFWFLSA-N 353.470 4.435 0 40 FIAB COc1ccc(-c2nnc(CN(C)c3ccccc3)o2)cc1Br 1117266808 NZBCJGBBICSDCI-UHFFFAOYSA-N 374.238 4.144 0 40 FIAB Cc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C)o2)cc1 645144 VQQOZWSYXWAGPY-UHFFFAOYSA-N 353.447 4.474 0 40 FIAB Cc1ccccc1OCc1nnc(SCC(=O)c2ccc(F)cc2)o1 875870 JKWUDLQDSFARNN-UHFFFAOYSA-N 358.394 4.071 0 40 FIAB CC(C)c1nc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc2n1 1355983 IQSKWGUIHRDBQY-GJZGRUSLSA-N 357.523 4.350 0 40 FIAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O[C@H](C)C(=O)OC)cc12 1463417 SPQOFJFXNGWADV-CYBMUJFWSA-N 368.385 4.217 0 40 FIAB biogenic Cn1c(COc2cccc3cccnc23)nnc1SCc1ccccc1 1480433 KWMOZNZVBPPDJT-UHFFFAOYSA-N 362.458 4.235 0 40 FIAB Cc1cc(C)c2c(=O)c3c(oc2c1)O[C@](C)(CO)C[C@H]3c1ccccc1 1607655 FYEMXCPCNRCWEW-AOMKIAJQSA-N 350.414 4.075 0 40 FIAB O=C(O[C@@]1(c2ccccc2)OCCN[C@@H]1c1ccccc1)c1ccccc1 1666037 OXGXVNCQHVJYIF-FYYLOGMGSA-N 359.425 4.058 0 40 FIAB O=C(OC[C@H]1COC(c2ccccc2)(c2ccccc2)O1)c1ccccc1 1671127 LTWVHGYVRHTUEX-NRFANRHFSA-N 360.409 4.160 0 40 FIAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C)cc1 2393588 OMBCZNUWQHVFBY-NBGIEHNGSA-N 361.422 4.472 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 2621853 FYBJYYNNRNBNRS-UHFFFAOYSA-N 364.445 4.406 0 40 FIAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Oc1ccccc1Cl 3049320 AENNPOAOTGJSSF-UHFFFAOYSA-N 369.808 4.469 0 40 FIAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 3893224 XYOMZPKUVQCZLQ-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1CCc1c2[nH]c2ccccc12 4042135 YDDYYRFKJRYZGO-FQEVSTJZSA-N 365.820 4.061 0 40 FIAB biogenic COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(C)=O 4175605 YBOCRCFRVXFIQD-KRWDZBQOSA-N 373.250 4.155 0 40 FIAB CCC[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)C12CC3CC(CC(C3)C1)C2 4650987 XEUBJIMTTAHGPC-SVFRMSMKSA-N 361.526 4.379 0 40 FIAB CCCCN1C(=O)[C@@](O)(CC(=O)c2cc(C)c(C)cc2C)c2ccccc21 4724199 XAGDTOUOTIVPHS-HSZRJFAPSA-N 365.473 4.219 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(Cl)cc1)OCO2 5106389 KTTVNQGQAOCZMS-UHFFFAOYSA-N 363.822 4.002 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccc(F)cc2)cc1 5204738 MPHFWSPHXHAOKG-UHFFFAOYSA-N 360.454 4.039 0 40 FIAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(CC)oc2cc1O 5961459 QAXBZZRFGZXCMY-UHFFFAOYSA-N 352.386 4.062 0 40 FIAB biogenic CCOC(=O)c1c(NC(=O)CSC2CCCCC2)sc2c1CCC2 6327539 MCDYYZLHBHSSRL-UHFFFAOYSA-N 367.536 4.418 0 40 FIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc2ccccc2oc1=O 6651336 WBUIUOFMGHSIAH-UHFFFAOYSA-N 373.412 4.121 0 40 FIAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1Cc1cccs1 7289041 YLPSLGUQUCYWTD-UHFFFAOYSA-N 373.503 4.450 0 40 FIAB O=C(CN1CCC[C@H]1c1cccs1)Nc1ccc(N2CCCC2)cc1 7360336 KSDWYJXAZZDUOK-SFHVURJKSA-N 355.507 4.124 0 40 FIAB CN(C)c1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 7688744 YXAJISMWVMTRFQ-UHFFFAOYSA-N 359.401 4.407 0 40 FIAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(C)cc3)n2C)c1 8191667 IDJRPKMDIIAXGV-AWEZNQCLSA-N 367.474 4.163 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(NCc3ccc(F)cc3)n2)cc1 8298806 ODGDVIRQUNIZKA-UHFFFAOYSA-N 369.465 4.240 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C)c(C)c3)cc21 8959486 XXUVSAGFTLHIOJ-UHFFFAOYSA-N 366.461 4.327 0 40 FIAB CCOc1ccc(NC(=O)Cc2coc3cc(O)ccc23)cc1OCC 10027400 AMEVWYHXXNAJPX-UHFFFAOYSA-N 355.390 4.117 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cc2ccncc2)cc1 12485262 IDVSLBSDOMDMTC-UHFFFAOYSA-N 352.821 4.343 0 40 FIAB C[C@@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(-n2ccnc2)cc1 12547986 MUGYGDYZHYMREU-CQSZACIVSA-N 351.475 4.304 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CC(C)(C)C)c2)cc1C 12737592 MULZETFAYPMSNE-UHFFFAOYSA-N 374.506 4.479 0 40 FIAB Cc1ccc2nc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)sc2c1 12755984 CIOBYRYTMQAYDF-AWEZNQCLSA-N 365.458 4.134 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1cccc2cn[nH]c12)c1ccccc1Cl 12781778 GSYQMZCVAHUYIV-SFHVURJKSA-N 370.884 4.029 0 40 FIAB C[C@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 12797383 SSDAUXOPECKTCS-INIZCTEOSA-N 362.429 4.410 0 40 FIAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N(C)Cc1nc2ccccc2s1 12899718 OKPLSRCCZJGBOC-LLVKDONJSA-N 361.417 4.034 0 40 FIAB CC(C)[C@H](NC(=O)Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 12975123 BWDKEIHXRHDFHI-FQEVSTJZSA-N 359.853 4.167 0 40 FIAB COc1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1 12979749 QZWVUQUKYCDQLW-UHFFFAOYSA-N 364.426 4.476 0 40 FIAB CCOc1ccccc1/C=C/C(=O)OCc1cc(Cl)c2c(c1)OCO2 13021532 UGLZBPLGDRZACE-BQYQJAHWSA-N 360.793 4.224 0 40 FIAB Cc1cc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)c(C)n1C 14241917 QFSFQZPZIJBFSN-UHFFFAOYSA-N 362.429 4.156 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 14404692 FPCMOKXWXNZCNR-UHFFFAOYSA-N 368.824 4.185 0 40 FIAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccccc3F)cs2)cc1 15832524 RBCONUFEXBDLNW-CQSZACIVSA-N 370.449 4.341 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 19135243 FWDIGTJGNVUUOH-HNNXBMFYSA-N 353.447 4.126 0 40 FIAB Cc1cnccc1-c1cn(C)nc1[C@@H]1CCCN1C(=O)CCc1ccccc1 19239667 QKUUOIPAWFXOMD-NRFANRHFSA-N 374.488 4.087 0 40 FIAB c1ccc2c(CN3CCC(c4nnc(-c5cnccn5)o4)CC3)cccc2c1 19376374 MLZDSDVIVSEDTE-UHFFFAOYSA-N 371.444 4.059 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(=O)O)c1 20144737 NYNZKRLBRBMCEJ-UHFFFAOYSA-N 368.216 4.488 0 40 FIAB CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)C(C)C 21356637 BVVBGVBJHQZTKL-GOSISDBHSA-N 367.474 4.063 0 40 FIAB CC(=O)Nc1cccc(-n2cnnc2SCc2ccc(Cl)s2)c1 23076581 DQSHTFBFTSOXHH-UHFFFAOYSA-N 364.883 4.233 0 40 FIAB COc1cccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)c1 23390639 ZQTDFMRNZJVPQO-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB O=C(NCC(c1ccccc1)c1ccccc1)c1cccnc1N1CCCC1 23866477 JBHASLSEUCXULV-UHFFFAOYSA-N 371.484 4.244 0 40 FIAB O=C(Nc1cccc(NC(=O)c2n[nH]c3ccccc23)c1)c1cccs1 24031112 ICQBOYBGKKYOEK-UHFFFAOYSA-N 362.414 4.129 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)NCC2(N(C)C)CCCCC2)cc(C)c1Cl 27581390 ZZGRLJFRRHYJOM-INIZCTEOSA-N 366.933 4.105 0 40 FIAB Cc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)N2CCCCC2)cc1 27581634 PFKJVHMMZNLWOO-JOCHJYFZSA-N 366.505 4.026 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccc(F)cc1F 28235204 XXAXGHWJOKKEBQ-ZETCQYMHSA-N 367.705 4.342 0 40 FIAB CC[C@@H](O)Nc1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 28406124 UQJOKYWERRSEMM-GOSISDBHSA-N 374.448 4.008 0 40 FIAB Cc1ccc(CSc2nnc(Nc3cccc(C)c3C)c(=O)n2C)cc1 28527318 ZVXKRCGZOBNYIJ-UHFFFAOYSA-N 366.490 4.136 0 40 FIAB O=C(c1cc2c(s1)CCCCCC2)N1CCn2c1nc1ccccc12 29374226 OYXZWMIMKDOFMA-UHFFFAOYSA-N 351.475 4.417 0 40 FIAB O=C(Nc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1)c1ccco1 30996261 QYDQYPPKKCRRQC-UHFFFAOYSA-N 372.424 4.461 0 40 FIAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccc(-c2ccccc2F)o1 32719470 NDZCXVGJSRLRRR-HUUCEWRRSA-N 373.424 4.422 0 40 FIAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(C)c1)O[C@H](C)C2 32870491 WOAYPRORUBQHCX-HUUCEWRRSA-N 354.450 4.156 0 40 FIAB Cc1ccc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)nn1 35597949 DBYKAMJEBQKXEQ-UHFFFAOYSA-N 373.210 4.136 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OC 36357613 YYAPRLFOWVRXQC-ZDUSSCGKSA-N 373.478 4.274 0 40 FIAB COc1cc(C(=O)Nc2ccc3cc[nH]c3c2)c(-n2cccc2)cc1OC 36360738 PHJGFJYGQYWWMK-UHFFFAOYSA-N 361.401 4.228 0 40 FIAB Cc1ccnn1CCCNc1nc(-c2ccccc2)cc(C(F)(F)F)n1 36613423 KWIDTTKIAMAPEW-UHFFFAOYSA-N 361.371 4.170 0 40 FIAB CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C 39548167 DJKNZUKRLHCUGI-MOPGFXCFSA-N 369.509 4.038 0 40 FIAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 39741286 FPTLHYQORBRXNN-UHFFFAOYSA-N 370.468 4.464 0 40 FIAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(F)ccc1F 40108479 PWHQLMKNHGWLTM-SNVBAGLBSA-N 354.194 4.088 0 40 FIAB Cc1ccc2nc(C)c(C(=O)NC[C@H]3CCN(C)c4ccccc43)cc2c1 40157081 SSHYKTPCMPFXPN-QGZVFWFLSA-N 359.473 4.205 0 40 FIAB OC1=Nc2c(ncn2-c2cccc(Br)c2)[C@H](c2cccnc2)C1 40288467 NRLLWQWUTXMWBN-AWEZNQCLSA-N 369.222 4.153 0 40 FIAB CCC(=O)N1CCc2cc(C(=O)Nc3nc4c(C)cccc4s3)ccc21 44849350 JZQGLTJSMCWMTN-UHFFFAOYSA-N 365.458 4.156 0 40 FIAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1ccc(N2CCCC2)cc1 48215148 ZFOBNJNLASUBBB-UHFFFAOYSA-N 352.482 4.368 0 40 FIAB COc1ccc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cc1O 48741629 WBLRUBBTWYHDRW-UHFFFAOYSA-N 354.381 4.017 0 40 FIAB Cc1nc2cc(C(=O)N(C)Cc3ccc(O)cc3)ccc2n1-c1ccccc1 52961584 PFVOZDXZYBUNAL-UHFFFAOYSA-N 371.440 4.312 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 53477782 ZYXTUUNYVQWDTD-KRWDZBQOSA-N 373.378 4.488 0 40 FIAB CCOc1cccc(CNC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 57413493 PPYRXQAJWWCYMB-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB CO[C@@H](C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1 58370730 GOXFFFPNGIDDDS-GOSISDBHSA-N 363.442 4.389 0 40 FIAB CCOc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1 64977457 ALUDZZPYEQYGTA-UHFFFAOYSA-N 373.456 4.227 0 40 FIAB O=C(CSCc1cccc2ccccc12)NCCOc1ccccc1 71992914 XWQKFAUHIOVHKI-UHFFFAOYSA-N 351.471 4.268 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1 75093836 UDZGEUNMXQXYGS-HXUWFJFHSA-N 354.425 4.080 0 40 FIAB c1ccc2c(c1)C[C@H](CNCc1cc3ccccc3nc1N1CCCCC1)O2 84594831 HBNSMEUFNJGFGL-OAQYLSRUSA-N 373.500 4.318 0 40 FIAB CC[C@@H](C(=O)NCC(O)(c1cccs1)c1cccs1)c1ccccc1 90617022 IGTAVTGBUJOCBW-MRXNPFEDSA-N 371.527 4.356 0 40 FIAB CNc1cc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)cc(Cl)n1 95445073 YUCAVONYLKSFBJ-QGZVFWFLSA-N 357.885 4.404 0 40 FIAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1cnc2c1CCCC2 95465144 XPNXTCNRRLOUMF-LBPRGKRZSA-N 366.292 4.288 0 40 FIAB COc1ccc(NC(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)cn1 95479598 OQVFSBGMSHOMOE-INIZCTEOSA-N 369.852 4.358 0 40 FIAB C[C@@H](NC1(CNc2nc3ccccc3o2)CCOCC1)c1ccccc1 95959200 ISSCSADHZWUGBC-MRXNPFEDSA-N 351.450 4.140 0 40 FIAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cn(C)c(C)n2)n2ccccc12 96266813 CWPFHZFNMAWVSI-UHFFFAOYSA-N 372.472 4.311 0 40 FIAB C[C@H](Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccccc1 100391441 WBDLWPXLYBRVFY-CCTJXGJQSA-N 359.425 4.138 0 40 FIAB Cn1cc(CC(=O)N2CCS[C@H](c3ccccc3)CC2)c2ccccc21 208039511 LZUWQIYWABUBPH-NRFANRHFSA-N 364.514 4.428 0 40 FIAB CC(C)Oc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1 218985853 SFTMHFQBYURAQA-UHFFFAOYSA-N 352.478 4.047 0 40 FIAB CC1CCN(c2ccc(NC(=S)NCc3ccc(Cl)cc3)cn2)CC1 223930276 HDLVRYSRKMXNGX-UHFFFAOYSA-N 374.941 4.458 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCCCc2ccccc2)cn1 223963482 IDAXKIVNFFYRHW-QGZVFWFLSA-N 368.550 4.380 0 40 FIAB CCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1C 224851295 NWRIKRXMQPRIPN-UHFFFAOYSA-N 366.505 4.310 0 40 FIAB Cc1cccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1C 225457440 MWLJSHKZBPLNSW-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1c(F)cccc1F 225740495 XQCDMQDGPWHGIR-CYBMUJFWSA-N 361.461 4.093 0 40 FIAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(F)c(Cl)c2)c1 225766301 VHKORLCVNYYOBZ-UHFFFAOYSA-N 363.801 4.259 0 40 FIAB Cc1cc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc(C)c1Cl 225822305 YQHJLUUMGCYFQF-UHFFFAOYSA-N 373.865 4.493 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccccn3)CCCC2)c1 225863310 KKZFHFWHBPJVSK-UHFFFAOYSA-N 369.490 4.014 0 40 FIAB C[C@H](NCCN(C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C 254017813 OQLPSYJNZRYLOQ-BFIGJCJDSA-N 370.581 4.404 0 40 FIAB O=C(c1cnco1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257205789 BANXWIUCDDJCGR-INIZCTEOSA-N 371.824 4.274 0 40 FIAB Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCCN2Cc2ccc(F)cc2)n1 257326158 WWBHAXZQXLUISR-IBGZPJMESA-N 351.429 4.041 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 408708449 ZXXVZPZPRSBULJ-UHFFFAOYSA-N 350.890 4.390 0 40 FIAB Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)cc1Cl 409095764 IWXPQXMGUWGRBN-HNNXBMFYSA-N 362.779 4.147 0 40 FIAB CCOC[C@@H]1CN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CCO1 529092965 VDSCORDDUJEEML-IBGZPJMESA-N 374.868 4.276 0 40 FIAB Brc1ccc([C@@H]2C[C@H]2c2nc(Cc3cncs3)no2)cc1 573388004 IUXNGWUERHVTQR-QWHCGFSZSA-N 362.252 4.151 0 40 FIAB COc1cccc([C@H](C(=O)O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1 634691446 HFMZPVCKAOUYPJ-CRAIPNDOSA-N 374.506 4.280 0 40 FIAB Cc1cc(N2CCC(COc3ccncc3Cl)CC2)nc(C2CC2)n1 1889108906 ZBWUALPAFUGUEX-UHFFFAOYSA-N 358.873 4.006 0 40 FIAB O=C(O)CCn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 628966 YJHTXLJYGOGXHU-UHFFFAOYSA-O 366.400 4.050 0 40 FIAB Cc1nnc(SCC(=O)Nc2ccccc2Oc2ccccc2)s1 643453 XLUUNBGJAHUXJP-UHFFFAOYSA-N 357.460 4.370 0 40 FIAB O=C(c1ccccc1)c1c(-c2ccccc2)nn(-c2ccccc2)c1C(=O)O 715615 FSIVAVHHWKZIBR-UHFFFAOYSA-N 368.392 4.469 0 40 FIAB CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(OC)cc1C)NCC2 718297 RLQWVVKVUMGCBB-QFIPXVFZSA-N 355.478 4.345 0 40 FIAB COc1ccccc1[C@]1(CC(=O)NCc2ccco2)CCO[C@H](C(C)C)C1 1294621 BODULCBBZLXDPD-RBBKRZOGSA-N 371.477 4.068 0 40 FIAB biogenic CC(C)(C)c1nc(SCC(=O)NC2CCCCC2)c2ccccc2n1 1342459 UJHAEQALUKSDAO-UHFFFAOYSA-N 357.523 4.468 0 40 FIAB CCCc1nc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc2n1 1342715 IIBZZONQKRGHNI-GASCZTMLSA-N 357.523 4.464 0 40 FIAB CCCc1nc(SCC(=O)Nc2ccc(F)cc2)c2ccccc2n1 1342772 PLDVYSGODKRFBL-UHFFFAOYSA-N 355.438 4.452 0 40 FIAB O=C(c1ccccc1)[C@@]12COc3ccccc3[C@@H]1ON=C2c1ccccc1 1583060 HFGZVHAAUBYIRX-GOTSBHOMSA-N 355.393 4.424 0 40 FIAB CC(=O)O[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 1769004 CIRUKACHYPJCFT-NETWJXFUSA-N 358.863 4.154 0 40 FIAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1O 2160598 MXERTLFKBLXIRM-FQEVSTJZSA-N 364.376 4.311 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2229228 WDLLLVOHYWHBSL-UHFFFAOYSA-N 373.865 4.119 0 40 FIAB O=C(Cc1ccccc1F)Nc1ccc(-c2cn3ccsc3n2)cc1 2639728 CLLYOFLDVMPQIV-UHFFFAOYSA-N 351.406 4.383 0 40 FIAB Cc1ccc2c(CSc3nnc(-c4ccccc4)o3)cc(=O)oc2c1 2644364 CADADRMWHWQVTA-UHFFFAOYSA-N 350.399 4.444 0 40 FIAB C[C@H](NC(=O)COC(=O)c1c(Cl)cccc1Cl)c1ccccc1 3372637 HEFAFFMQRZXSJT-NSHDSACASA-N 352.217 4.028 0 40 FIAB Cc1cc(OCc2ccc(C(=O)O)cc2)c2c3c(c(=O)oc2c1)CCCC3 4027944 DIQWHKHXYFHASL-UHFFFAOYSA-N 364.397 4.257 0 40 FIAB biogenic CCOc1ccc2ccccc2c1C(=O)Nc1c(C(N)=O)oc2ccccc12 4851944 VQABXBJEMOMKSG-UHFFFAOYSA-N 374.396 4.336 0 40 FIAB COc1ccc(-n2ccnc(SCc3ccccc3)c2=O)cc1Cl 4853044 HSFDXTNXFRRXAO-UHFFFAOYSA-N 358.850 4.187 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1cccs1 5136185 SRAGDBZHUMVLKH-UHFFFAOYSA-N 352.415 4.186 0 40 FIAB Cc1ccc(NC(=O)Cc2cccc3ccccc23)cc1N1CCCC1=O 5440742 YJFOYSCQPYJIAS-UHFFFAOYSA-N 358.441 4.456 0 40 FIAB CC[C@@H]1C[C@H](CC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)C1(C)C 5674039 CMPJRJVSDRSSSF-VTZXFWRVSA-N 362.583 4.408 0 40 FIAB CCOc1ccc(/C=C\C(=O)Nc2nc3ccc(OC)cc3s2)cc1 5959121 YASFRCBENOTHIC-WDZFZDKYSA-N 354.431 4.356 0 40 FIAB O=C(/C=C/c1ccco1)OCC(=O)N(c1ccccc1)C1CCCCC1 6012125 QUWYZUKLODXBPM-BUHFOSPRSA-N 353.418 4.202 0 40 FIAB Cc1cccc2sc(NS(=O)(=O)c3ccccc3C(F)(F)F)nc12 6800755 BSMXANARJTZHSV-UHFFFAOYSA-N 372.393 4.424 0 40 FIAB CCc1ccc2oc(C(=O)Nc3cc(Cl)ccc3OC)cc(=O)c2c1 6811288 IZMBORPSCXXPSL-UHFFFAOYSA-N 357.793 4.270 0 40 FIAB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2c(=O)oc3ccccc32)c1 7040972 NVBHTYWZAMZWKE-UHFFFAOYSA-N 372.424 4.136 0 40 FIAB O=C(CSCc1ccc(Br)cc1F)NC1CCCCC1 7146697 MYGOVLJSKLZTPT-UHFFFAOYSA-N 360.292 4.270 0 40 FIAB O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCCCO3)N1C1CC1 7364430 QXKUUEFTQFAUAY-IBGZPJMESA-N 370.836 4.230 0 40 FIAB O=C(CN1CCSc2ccccc21)Nc1ccccc1C(F)(F)F 7493344 BTPXUSWMWFGCCM-UHFFFAOYSA-N 352.381 4.256 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)o2)c(C)c1 7510302 DXGWMSWXSVDTHZ-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB CCSc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CCC2)s1 7779093 CRJVQTJMCGMCGK-UHFFFAOYSA-N 353.900 4.364 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1 7830402 KPPZRKHECMVDLB-CYBMUJFWSA-N 366.442 4.353 0 40 FIAB CC(=O)c1oc2ccccc2c1NC(=O)CN1CC[C@H]2CCCC[C@@H]2C1 8230157 QEGYJOMFQBBOCW-HZPDHXFCSA-N 354.450 4.086 0 40 FIAB CCOc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1OCC 8324958 POTGQJDEJRPHGP-UHFFFAOYSA-N 370.478 4.149 0 40 FIAB Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NCC1CCCCC1 8770802 BYJDUOWZZGPRLR-UHFFFAOYSA-N 372.494 4.406 0 40 FIAB CCCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 9062160 WOMPOYDPPKNUPS-UHFFFAOYSA-N 366.446 4.196 0 40 FIAB CC[C@]1(c2ccc(Cl)cc2Cl)NC(=S)N(c2ccccc2)N1 9189203 FDHUJJZYODDTMI-INIZCTEOSA-N 352.290 4.456 0 40 FIAB Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2cnn(C(C)C)c2n1 10809003 HGQPDPAHLWJXPP-HNNXBMFYSA-N 350.466 4.072 0 40 FIAB Cc1ccc(-c2nc(N[C@H](C)c3ccccn3)ncc2-c2cnccn2)o1 12089520 NIQALKDLAPHZEE-CQSZACIVSA-N 358.405 4.070 0 40 FIAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)N1CCCCCC1 12222793 FCRYUEBBQMSFHO-UHFFFAOYSA-N 362.477 4.199 0 40 FIAB O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1c(F)cccc1F 12529825 UIKRIJMCERULNY-UHFFFAOYSA-N 363.364 4.225 0 40 FIAB Cc1cc(SCC(=O)OCCOc2ccccc2F)nc2ccccc12 12530239 OIQNOUZJOQCJCT-UHFFFAOYSA-N 371.433 4.397 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 12579472 XEBIAXVXTHZQSC-INIZCTEOSA-N 360.244 4.246 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(Br)cc1 12777008 QBXWVGLCYRDIGT-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB Cc1cc2nc(C)c(CCC(=O)N[C@H](C)c3cccc(Cl)c3)c(C)n2n1 12919781 CDJOIEBGXDAZQU-CYBMUJFWSA-N 370.884 4.118 0 40 FIAB Cc1cc(C)cc(OCCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12953125 LNRZNKZMESRSOM-UHFFFAOYSA-N 352.438 4.037 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 12987533 CQONTXQPANSLNX-UWJYYQICSA-N 352.478 4.052 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 13689114 QTUSLLLASFTFEU-AWEZNQCLSA-N 351.402 4.263 0 40 FIAB COc1cc(OC)cc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)c1 14095605 GIXXOZQHIFJTPO-LJQANCHMSA-N 371.433 4.424 0 40 FIAB CC(=O)c1ccc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)cc1 14108582 HCOFESKGNSQURK-UHFFFAOYSA-N 354.406 4.333 0 40 FIAB CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2occc2C)cs1 14125469 ZXKFGNSQSOLRPF-UHFFFAOYSA-N 370.430 4.395 0 40 FIAB CN1C(=O)c2ccccc2N[C@H]1c1ccc(OC(F)F)cc1OC(F)F 15249586 JGOKUZMIGGNPEJ-CQSZACIVSA-N 370.302 4.086 0 40 FIAB CC(=O)c1ccc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 15288325 RDAXAPVNSDUUGK-CQSZACIVSA-N 354.475 4.219 0 40 FIAB CC(C)(C)c1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1 15841828 UTNIGQVIHYZQST-UHFFFAOYSA-N 366.486 4.284 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 17270849 PJZMAXYJQNNRNJ-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)ncn2C1CC1 19714336 UAVBRVZVHOCKNN-UHFFFAOYSA-N 373.378 4.363 0 40 FIAB O=S(=O)(NCC1=CCCCC1)c1cc(Cl)c(Cl)cc1Cl 19942778 CIWJSHFUWLPGHC-UHFFFAOYSA-N 354.686 4.426 0 40 FIAB C[C@@H]1CCCC[C@H]1N1CCN(Cc2cccc(Br)c2)CC1 20123905 BMOAYKAROHLNIS-CRAIPNDOSA-N 351.332 4.145 0 40 FIAB O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCCC1 21003972 GRIPCVYBLAFCIM-UHFFFAOYSA-N 365.864 4.488 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)c1occc1COc1ccccc1 22282988 YHXNXYDVBJWHCP-UHFFFAOYSA-N 363.413 4.460 0 40 FIAB O=C(Nc1ccccc1N1CCCCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 25458789 ZRKXSWYDMINAAB-JWTNVVGKSA-N 354.494 4.401 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC(C1CC1)C1CC1 25537300 MWKROXCCESERDK-SECBINFHSA-N 372.690 4.175 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)ns2)c1C 27662170 AJOVFXZKNCGAJP-AWEZNQCLSA-N 353.447 4.228 0 40 FIAB COc1ccc(Cl)cc1NC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 27920609 CJZYWOSHSKIHEC-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(C)s3)o2)cc1 31621404 QUHSYXZBROZFDF-UHFFFAOYSA-N 360.460 4.302 0 40 FIAB O=C(Nc1ccc(SC(F)F)cc1)c1csc(-c2ncccn2)n1 40146631 UUGYOXYBCXDJLD-UHFFFAOYSA-N 364.402 4.167 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)C2CCCCC2)cc1 40159883 PAUCROVJQAQHEP-UHFFFAOYSA-N 356.466 4.204 0 40 FIAB COCc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[nH]1 44892074 IWNFNEVAPFHUJQ-UHFFFAOYSA-N 350.205 4.268 0 40 FIAB COCCN(C(=O)c1csc(-c2ccc(Cl)cc2)n1)C1CCCC1 45513061 ITCQHTRJUCBKEO-UHFFFAOYSA-N 364.898 4.495 0 40 FIAB Cc1cc(Cc2cnc(NC(=O)C3CC3)s2)ccc1Br 48324529 LASYYMIEHVSIFO-UHFFFAOYSA-N 351.269 4.153 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1)c1cccs1 48342969 GBAFUODTMXXELB-QGZVFWFLSA-N 365.458 4.306 0 40 FIAB O=C(/C=C/c1ccco1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 49509486 HWAWHVFGUSBJMP-BQYQJAHWSA-N 364.426 4.196 0 40 FIAB O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 54748056 VNEQFRUUMQUHJH-KBAYOESNSA-N 363.436 4.212 0 40 FIAB O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccc(F)c1 65257858 QMVHEYMEFGJCMO-UHFFFAOYSA-N 365.408 4.465 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C=O)cn1 72215175 WKRDSQUDQOVTFE-NVXWUHKLSA-N 361.486 4.305 0 40 FIAB O=C(c1cc(F)ccc1Cl)N1CCN(c2ccccc2Cl)CC1 72331380 OFOUPCUMBWDTGB-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB C[C@@H](CNc1ncc(-c2cnccn2)c(-c2ccco2)n1)c1ccccc1 72338701 IMTPPIUJEYFLCJ-HNNXBMFYSA-N 357.417 4.409 0 40 FIAB COc1ccccc1Cc1cccc([C@H]2CCCN2Cc2cccnc2)n1 72357684 CUIORXNRBQVEAD-JOCHJYFZSA-N 359.473 4.413 0 40 FIAB Cc1ccc(Nc2nccc([C@H]3CCCN3CCc3ccccc3)n2)nc1 72377562 UQTRQGQHGXOPBE-HXUWFJFHSA-N 359.477 4.303 0 40 FIAB CCn1c(SCC(=O)Nc2ccc3nc(C)oc3c2)nc2ccccc21 73719294 ACROBBMNTKQIFS-UHFFFAOYSA-N 366.446 4.237 0 40 FIAB CCN(Cc1nc(-c2cc(Br)cs2)no1)C1CCCC1 84777605 WPLHOSZTIBOXFD-UHFFFAOYSA-N 356.289 4.325 0 40 FIAB O=C(NC1(c2nc(-c3cccs3)no2)CCCCC1)c1ccsc1 89800074 HOWCEHVCTXKOMH-UHFFFAOYSA-N 359.476 4.449 0 40 FIAB Cc1ccc(N2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 219859254 OHOTXFMIQLWDSI-LJQANCHMSA-N 350.506 4.349 0 40 FIAB O=C(CCc1ccccc1F)NCCSCc1cccc(Cl)c1 222699208 JPKUTRLTGWJWFY-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCC(C)C 222832373 CMIIOGSJXWQUJN-HNNXBMFYSA-N 352.906 4.020 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 222884452 FXONHPIZXKQHII-UXHICEINSA-N 362.502 4.255 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccccc1OC)c1ccc(OC)c(C)c1 223345912 SETCEZKGNLEYOT-NVXWUHKLSA-N 357.450 4.047 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cccc(C)c1C 223963924 HMDLGWAUGGAQGA-HXUWFJFHSA-N 355.478 4.273 0 40 FIAB CCCCOCc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OC 224439994 UDEZSSLIOKEVOQ-UHFFFAOYSA-N 370.449 4.223 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(N2CCCC2)cc1 224936527 JAEHQPLKYVAMJJ-UHFFFAOYSA-N 350.462 4.183 0 40 FIAB CN(CCNC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225377139 JGPOJVVCHIUUAI-UHFFFAOYSA-N 351.277 4.179 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(OC)cc1)c1ccc(OC)c(C)c1 225833690 HHNSIJGVAKPBIE-DNVCBOLYSA-N 357.450 4.047 0 40 FIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)cc(Br)c1O 226243169 WGBMAMXAQCZUTG-UHFFFAOYSA-N 370.630 4.134 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3cccn3-c3ccc(C)cc3)C2=O)cc1 409244744 ICOHTFHMZVCMRR-KGENOOAVSA-N 371.440 4.187 0 40 FIAB Cc1cccc(CN(Cc2ncn(-c3ccccc3)n2)Cc2ccco2)c1 537852294 ZHQYJEDQTAHBQI-UHFFFAOYSA-N 358.445 4.371 0 40 FIAB O=C(CCCC(=O)c1ccccc1)N[C@H](c1cccs1)C1CCOCC1 606440616 KPESZIMKKIRRLV-NRFANRHFSA-N 371.502 4.385 0 40 FIAB COc1ccc2c(c1)CCCN(C(=O)N[C@H](c1nc(C)cs1)C1CC1)C2 608711632 XCEQFIHVTWFSPL-SFHVURJKSA-N 371.506 4.069 0 40 FIAB Cc1nc(CN2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)cs1 1615153668 GDFSDJHVCPLCOU-UHFFFAOYSA-N 371.550 4.089 0 40 FIAB Cc1csc(NC(=O)c2sc3nc(C)c4c(c3c2N)CCCC4)n1 714275 UPEDCRZGUGWZLN-UHFFFAOYSA-N 358.492 4.083 0 40 FIAB CC(=O)c1c2c(cc3c1C[C@@]1(C3)Cc3ccc4c(c3C1=O)CCC4)CCC2 1646106 ZASRJJAKDNQGAJ-VWLOTQADSA-N 356.465 4.391 0 40 FIAB CCCCCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2312317 XSAVNVFLXHWELC-UHFFFAOYSA-N 373.460 4.076 0 40 FIAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OCC)cc3)Nc3ncnn32)cc1 2336107 HYYQHWHMDZOLQM-UXHICEINSA-N 364.449 4.222 0 40 FIAB CCC(CC)C(=O)Nc1ncc2c(n1)C[C@@H](c1cccc(Cl)c1)CC2=O 2400631 DGWMIOXUOBTHQH-CQSZACIVSA-N 371.868 4.417 0 40 FIAB COc1ccccc1CNC(=O)c1oc2ccc(Br)cc2c1C 2631996 QURPJKDCMWMEJE-UHFFFAOYSA-N 374.234 4.442 0 40 FIAB COc1cccc(C(=O)NCCSc2c(C)[nH]c3ccccc23)c1OC 2721061 UZOVOEGVIFSBKP-UHFFFAOYSA-N 370.474 4.016 0 40 FIAB Cc1ccc(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)cc1C 3231714 LDPVTOWSYNICGM-UHFFFAOYSA-N 369.436 4.436 0 40 FIAB Cc1nc(S[C@@H](C)C(=O)N2CCC(C)CC2)c2c(C)c(C)sc2n1 3332553 AFGLQYQMAJYPPD-ZDUSSCGKSA-N 363.552 4.356 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cccc(I)c1 3548317 BLTOHGXAWUKAQC-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(F)cc2)cc1 4854477 DWNGKYASKXWAAU-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB CCCCNC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 4936409 ZCJJENFHUICCLK-UHFFFAOYSA-N 365.502 4.229 0 40 FIAB Cn1c(SCC(=O)c2ccc(Br)cc2)nc2ccccc21 5286104 MXWCKSBFIGKTGD-UHFFFAOYSA-N 361.264 4.311 0 40 FIAB Cn1cc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)c2ccccc21 5376184 HCMPIIGDQRILEA-MFOYZWKCSA-N 350.399 4.125 0 40 FIAB COc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c(OC)c1 5938393 FPMNBUMAMBTVHZ-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB COc1ccc(C(=O)Nc2cc(C)ccc2NC(=O)c2ccco2)cc1 5962249 QZTYYFBRXKHABW-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB C[C@@H](c1nc(O)c2ccccc2n1)N(C)CCOc1ccc(Cl)cc1 6908465 XGIAWOBGAUDYKE-ZDUSSCGKSA-N 357.841 4.061 0 40 FIAB Cc1ccc(-c2noc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 7605390 RAROSFXSYNWQDS-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCO3)cc1 7885026 NJWRFZSYZOSMDW-NRFANRHFSA-N 374.396 4.195 0 40 FIAB COc1cc(C(=O)Nc2ccc(F)cc2C)cc(OC)c1Br 7962282 XHZPMIQXRAEDIS-UHFFFAOYSA-N 368.202 4.166 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@H](C)c3cccc(F)c3)cs2)cc1 7986453 ZFPQEONTJGTYOH-CYBMUJFWSA-N 370.449 4.378 0 40 FIAB Cc1ccc2c(CC(=O)NC[C@@H](c3ccco3)N3CCCC3)coc2c1C 8231970 ONIAVTRWGIJILB-IBGZPJMESA-N 366.461 4.138 0 40 FIAB COc1ccc(CNC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1 8272569 YALHJGSOMCZICO-UHFFFAOYSA-N 366.465 4.074 0 40 FIAB O=c1c2sccc2nc(SCc2ccccn2)n1-c1ccccc1 8780277 ONOZNQVGAADHPR-UHFFFAOYSA-N 351.456 4.135 0 40 FIAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCc1ccco1 8853989 GEWLSEFCYOSHOZ-UHFFFAOYSA-N 362.451 4.026 0 40 FIAB Cc1c(C(=O)Nc2ccc(Br)cc2)cnn1-c1ccccc1 10403491 MMAYGUQDQNYWJJ-UHFFFAOYSA-N 356.223 4.196 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11915691 IZFRRYHGVLZDRC-UHFFFAOYSA-N 356.765 4.034 0 40 FIAB CCCSc1ncc(Br)c(C(=O)Nc2ccc(C)cc2)n1 11916173 YPRPMDAGURKKDT-UHFFFAOYSA-N 366.284 4.302 0 40 FIAB Cc1cccc(C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)c1 12293643 JOOKULKAGUBLOG-UHFFFAOYSA-N 358.441 4.202 0 40 FIAB COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)O)c3n2)cc1 12395332 FUUJNGVUNBCQHX-UHFFFAOYSA-N 373.359 4.007 0 40 FIAB CCN(CC)c1ccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)cc1 12545265 RUCCVJQDUKCPLO-UHFFFAOYSA-N 356.514 4.183 0 40 FIAB COc1ccccc1CCNC(=O)c1ccc(-n2cnc3ccccc32)cc1 12553548 PWBFCWCRYQCIGM-UHFFFAOYSA-N 371.440 4.007 0 40 FIAB OC(c1cn2cc(-c3ccccc3)nc2s1)(C(F)(F)F)C(F)(F)F 12558510 UZQFDGDFJGTFCF-UHFFFAOYSA-N 366.286 4.375 0 40 FIAB Cc1ccc(C)c(-c2nn(Cc3c(C)noc3C)c(=O)c3ccccc23)c1 12787234 BKWZFOUFTIFVPT-UHFFFAOYSA-N 359.429 4.333 0 40 FIAB COc1cccc(CNC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 12802502 DFDUTZSIFYLMLY-UHFFFAOYSA-N 353.249 4.344 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(OCc2cscn2)c1 13000956 SULNNYMGXPYAOE-UHFFFAOYSA-N 368.502 4.421 0 40 FIAB c1ccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)nc1 13267903 USKNZCAQRSGARU-UHFFFAOYSA-N 351.460 4.336 0 40 FIAB Cc1ccc(OCCCC(=O)NCCSCc2ccccc2F)cc1 13671545 RTKQINIQDLYCAL-UHFFFAOYSA-N 361.482 4.343 0 40 FIAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(O)c2sccc2n1 14018329 RJNLZNIDOZTDFW-UHFFFAOYSA-N 354.262 4.336 0 40 FIAB Cc1cc(C)n2c(n1)nc(=S)n2CN(C)Cc1ccc(C(C)(C)C)cc1 14197102 FYJYPFKKOPLJBL-UHFFFAOYSA-N 369.538 4.264 0 40 FIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(F)cc1 14896551 PQIQIPYDXAMBRS-CYBMUJFWSA-N 352.365 4.162 0 40 FIAB CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 19019531 NLIMSVDJUDMWHZ-BJLQDIEVSA-N 374.937 4.238 0 40 FIAB Cc1ccc(C)c([C@H](O)CN2CCC(c3noc4cc(F)ccc34)CC2)c1 19132022 RDWLYBXDYPMSQY-HXUWFJFHSA-N 368.452 4.497 0 40 FIAB COc1ccc(CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OC 24316158 KCAJHAPHJXZYBG-MRXNPFEDSA-N 367.489 4.393 0 40 FIAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CC(=O)N(C2CC2)C1 25828933 MIDYVYHEBWTAPQ-CYBMUJFWSA-N 370.836 4.082 0 40 FIAB O=S(=O)(c1cc(F)ccc1F)N1CCC[C@@H]1c1ccc(Cl)cc1 28043450 PMDMWSQQERTKCZ-OAHLLOKOSA-N 357.809 4.144 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 28700176 DLQYOEZPSFWFCZ-MRXNPFEDSA-N 361.825 4.159 0 40 FIAB CCN(CCCNC(=O)c1ccc(Br)s1)c1ccccc1 29955208 KGOKRERLCXFMPB-UHFFFAOYSA-N 367.312 4.157 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1nc2ccccc2nc1N1CCCC1 32642816 CDWHQCPVJCCIEM-UHFFFAOYSA-N 352.825 4.136 0 40 FIAB Cc1nc(CSCC(=O)N[C@H](C)c2cccc(OC(F)F)c2)cs1 32931099 SJAFEZZYBBMBEH-SNVBAGLBSA-N 372.462 4.164 0 40 FIAB C[C@@H](Sc1nnc(-c2ccncc2)o1)C(=O)C12CC3CC(CC(C3)C1)C2 32945275 SFAORFJRLMICHH-JSFDKUKPSA-N 369.490 4.398 0 40 FIAB COc1cc(C)c([C@H](C)NC(=O)c2cc(Cl)ccc2F)cc1OC 36394091 HBEPMGGKEHMWTM-NSHDSACASA-N 351.805 4.296 0 40 FIAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)c1 36635898 NMWJUABCXXSYCZ-MRXNPFEDSA-N 363.244 4.354 0 40 FIAB COc1ccc2ccc(OC(=O)c3cnc4c(cnn4C(C)C)c3)cc2c1 36638631 GQDYDYZTKKATAU-UHFFFAOYSA-N 361.401 4.393 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)Cc3c(C)noc3C)cn2)cc1C 40122688 ZVFNCVOOCGHSNJ-UHFFFAOYSA-N 351.406 4.277 0 40 FIAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1C1CCCC1 40397275 UQVOZQLVGBFNHR-UHFFFAOYSA-N 364.836 4.480 0 40 FIAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)c(N2CCCC2=O)c1 44523633 LSOJPITYASATFP-CQSZACIVSA-N 372.465 4.213 0 40 FIAB CCCC[C@@H](CC)CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 48342210 CGBLYCSAKMZQSY-GFCCVEGCSA-N 360.907 4.081 0 40 FIAB COc1cccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)n[nH]2)c1 51315622 YHXDBFLXRRZIGD-UHFFFAOYSA-N 361.323 4.356 0 40 FIAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccco1)CO3 55393783 UPOOTXAWPCGDEB-UHFFFAOYSA-N 359.381 4.405 0 40 FIAB biogenic CC(=O)Nc1cccc(-n2cnnc2S[C@H](C)c2cccc(F)c2)c1 56283686 ATLKTSZKLKAHCG-GFCCVEGCSA-N 356.426 4.218 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc2nsnc2c1 57315682 BRBFCMABDNFGKK-NSHDSACASA-N 370.503 4.332 0 40 FIAB Fc1ccc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 57442870 HELXMKXBSKUMCI-UHFFFAOYSA-N 371.843 4.456 0 40 FIAB Cc1csc(SC[C@H](O)COc2ccc(Cl)cc2Cl)n1 58012736 IKQRCSIXAQLPRU-SNVBAGLBSA-N 350.292 4.290 0 40 FIAB C[C@@H](NC(=O)CNC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 58161161 SYXRCHGRDHPCJO-QGZVFWFLSA-N 362.448 4.382 0 40 FIAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(-c3ccoc3)nc3ccccc32)c1 58162757 IWEUAUTVCZQTEQ-SFHVURJKSA-N 362.429 4.353 0 40 FIAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)N[C@@H](C)c2ccncc2)CC1 67921401 GLJCTSJQLAGRFD-HNNXBMFYSA-N 360.461 4.431 0 40 FIAB Cc1ccc2nc(SCc3ccc(C(C)(C)C)cc3)n(N)c(=O)c2c1 71327778 DVPFWZSTPSQUNW-UHFFFAOYSA-N 353.491 4.009 0 40 FIAB Cc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 72379075 XZEPMABWLHHPLK-GOSISDBHSA-N 350.441 4.094 0 40 FIAB O=C(Nc1nnc(Cc2cccc(F)c2)s1)C1(Cc2ccccc2)CC1 75108129 HHVODURLPZNVGG-UHFFFAOYSA-N 367.449 4.229 0 40 FIAB COc1ccc(/C=C\c2nc(NCCCN(C)C)c3ccccc3n2)cc1 83429869 NIHSNFSFDGHHRG-KAMYIIQDSA-N 362.477 4.172 0 40 FIAB O=C(c1ccc(CN2CCSCC2)cc1)c1cccc(C(F)(F)F)c1 85651282 JXZDRNUVYSTIPU-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)c2cccs2)s1 90610559 JDTDGWASYQUWCQ-ZDUSSCGKSA-N 371.483 4.124 0 40 FIAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccc(F)cc2)CC3)c1 96049438 OFHJNTONCDYAIE-UHFFFAOYSA-N 366.480 4.291 0 40 FIAB O=C(CSC1CCCC1)NCc1ccc(C(=O)c2ccsc2)s1 96119909 CWOQPYJZIYGAQS-UHFFFAOYSA-N 365.545 4.333 0 40 FIAB Cc1ccccc1Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100664034 JHMZBEBSHAZNNI-GLRKZIRRSA-N 371.436 4.345 0 40 FIAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1c(Cl)cccc1Cl 102167195 LRMVSVJFJWQFGT-SDDRHHMPSA-N 356.249 4.301 0 40 FIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1cccc(Oc2ccccn2)c1 107087070 WECMXBNJQVVRGC-JTDSTZFVSA-N 354.450 4.194 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)Cc1csc(-c3cccnc3)n1)C2 107326775 LUBRVSZRAJCORM-UVFQYZLESA-N 355.507 4.079 0 40 FIAB C[C@H](CNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 110931590 LSEBNFCXOHZJGK-GFCCVEGCSA-N 358.290 4.217 0 40 FIAB Cc1ccc([C@H]2CCCCCN2C(=O)CCn2cnc3ccccc32)o1 151310490 GDNKHYJLLRXJPV-LJQANCHMSA-N 351.450 4.472 0 40 FIAB Cc1cc(O[C@H](C)C(=O)N[C@H](C)COc2ccccc2C)ccc1Cl 222854480 SEJVETVBHPCXSS-HZPDHXFCSA-N 361.869 4.308 0 40 FIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(CC)c1C 222959971 LUMWNAAYRKZFKM-MOPGFXCFSA-N 356.539 4.292 0 40 FIAB COc1ccc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1 223155353 RHIKOOODSDGLPR-HNNXBMFYSA-N 355.503 4.295 0 40 FIAB CCCCOCc1cc(C(=O)Nc2ccc(OC)cc2OC)ccc1OC 224438808 LGWLMWSZWOFFEO-UHFFFAOYSA-N 373.449 4.281 0 40 FIAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2O1 224551896 QMHWFNWSMZITCF-GOSISDBHSA-N 359.491 4.189 0 40 FIAB CSc1ccc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)cc1 224955132 KMYORFPQYXSIKB-UHFFFAOYSA-N 362.520 4.200 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc3c(cc1O2)CCCC3 225825710 YRQFBZLVHSORGM-UHFFFAOYSA-N 371.477 4.300 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225838531 RZBZPYLOGNYFHK-XOBRGWDASA-N 365.470 4.184 0 40 FIAB COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c2ccccc12 225917204 VXDBUZJDGPBIBR-UHFFFAOYSA-N 367.401 4.132 0 40 FIAB COc1cccc([C@H]2C[C@@H](NC(=O)Cc3ccccc3)[C@@H]3CCC[C@H]3O2)c1 257343764 ZUHXUJUUSDQRPG-DXBBTUNJSA-N 365.473 4.053 0 40 FIAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CC[C@H](n4cc(C)cn4)C3)c2c1 566040972 JVMMAGDGFKBLBK-SFHVURJKSA-N 374.488 4.321 0 40 FIAB COc1ccc2oc(CN3CC[C@@](CO)(Cc4ccc(F)cc4)C3)cc2c1 585084674 OJKJVLYRDFOIJA-JOCHJYFZSA-N 369.436 4.008 0 40 FIAB O=C(O)c1cnc(N2CCc3ccccc3C2)nc1CCC1CCCCC1 585265993 XKUTWRJTYYJPRH-UHFFFAOYSA-N 365.477 4.250 0 40 FIAB CCOc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1 1775969655 FDNBCIUCCRZURI-CQSZACIVSA-N 372.446 4.262 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1 1775978505 SMWZAJFQEKIHBF-LJQANCHMSA-N 367.470 4.277 0 40 FIAB Cc1cc(OCC2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccn1 1775995449 WPBOTKCIJFLQHG-UHFFFAOYSA-N 351.372 4.099 0 40 FIAB CN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1 946580 DAVXRZYMQDDNSA-UHFFFAOYSA-N 360.505 4.346 0 40 FIAB COc1ccc2nc(NC(=O)[C@]34CC[C@](C)(C(=O)C3)C4(C)C)sc2c1 1109824 SUQVCRMGXKGOGN-MOPGFXCFSA-N 358.463 4.029 0 40 FIAB Cc1ccc(CSc2nnc(-c3cccc(OC(C)C)c3)n2N)cc1C 2396973 JTYAPIBYNNUKTM-UHFFFAOYSA-N 368.506 4.355 0 40 FIAB CC(C)c1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCC2 2426747 XGZAMTWOCCEWAX-GFCCVEGCSA-N 368.506 4.443 0 40 FIAB Cc1cc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)nc(C(C)C)n1 2645079 GKHBUTWUOYIHFF-UHFFFAOYSA-N 354.237 4.233 0 40 FIAB COc1ccccc1-c1cc(C(F)F)n2nc(C)c(Br)c2n1 2786755 ATQFFKDFNSJEIE-UHFFFAOYSA-N 368.181 4.413 0 40 FIAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(F)c1 3108418 AHDJXZCYOAPYDB-PGMHBOJBSA-N 351.164 4.210 0 40 FIAB O=C(OCC(=O)N1CCc2ccccc21)c1sc2ccccc2c1Cl 3232731 SUMRBZAYANENCN-UHFFFAOYSA-N 371.845 4.301 0 40 FIAB CC(C)[C@@H](C(=O)OCC(=O)N(C(C)C)C(C)C)c1ccc(Cl)cc1 3342057 UKDFVAGQQBWLIM-GOSISDBHSA-N 353.890 4.268 0 40 FIAB Cc1cc(N[C@@H](C)C(=O)N(C)Cc2ccccc2)ccc1Br 3345687 RGAIITOQTOSOIA-AWEZNQCLSA-N 361.283 4.217 0 40 FIAB CN(CC(=O)NCc1ccccc1Cl)Cc1cccc(Cl)c1Cl 3420804 UXSKGSOUVIQCKS-UHFFFAOYSA-N 371.695 4.395 0 40 FIAB COc1ccc2c(CC(=O)Nc3nc4ccc(F)cc4s3)coc2c1 3528545 SLJGBBRJHNYUBX-UHFFFAOYSA-N 356.378 4.371 0 40 FIAB c1cncc(-c2csc(Nc3nc4cc5c(cc4s3)OCO5)n2)c1 4061305 SQMVYGLECCBZBY-UHFFFAOYSA-N 354.416 4.287 0 40 FIAB S=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1cccs1 4088183 WFAWLWIFCRZRBX-LJQANCHMSA-N 367.543 4.072 0 40 FIAB CCCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)O[C@H](C)C(C)(C)C 4189547 LKUDAXGZLFUSRT-KDOFPFPSSA-N 374.481 4.081 0 40 FIAB Cc1ccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(=O)[nH]c2c1C 4230992 XASCSYSFOXSORL-UHFFFAOYSA-N 364.445 4.323 0 40 FIAB Cc1ccccc1CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 4308384 KZYKIZHSZKZMRC-GOSISDBHSA-N 363.244 4.269 0 40 FIAB CCOc1ccc(NC(=O)CCc2nc(-c3ccccc3C)no2)cc1 4384136 YPKPHQNHWKOPEJ-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB CCCCCC(=O)Nc1ccc(-c2csc(N3CCN(C)CC3)n2)cc1 5156856 PMJLPILLJJEIIE-UHFFFAOYSA-N 372.538 4.081 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)c(C)c1 5986744 VHTVTLZBIZPUJG-UHFFFAOYSA-N 367.518 4.421 0 40 FIAB CCc1ccc(C(=O)[C@@H](C)Sc2nncn2-c2ccccc2OC)cc1 6082068 AJEZKRHKQTXDMN-CQSZACIVSA-N 367.474 4.202 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(Cl)cnc2[nH]1 6187373 GXLMFCITWUZBEB-UHFFFAOYSA-N 360.870 4.213 0 40 FIAB Clc1ccccc1COc1ccc2ccccc2c1CNn1cnnc1 6244022 WWEZVXCXDZJZRU-UHFFFAOYSA-N 364.836 4.407 0 40 FIAB CC(C)(C)N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 6615004 BNWRDJDCTBERDK-NTCAYCPXSA-N 354.837 4.256 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 6721350 FSTHUEWLUJVAOL-GRYCIOLGSA-N 360.570 4.356 0 40 FIAB Cc1cccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 6860316 CSFPGCFSVGKYOL-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccccc1-c1ccccc1 6940435 ZHKMNSCBGCVUMC-UHFFFAOYSA-N 359.425 4.397 0 40 FIAB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)NC2CCCC2)cc1OCC 6958537 VHMPDAQVMCDDKZ-ZROIWOOFSA-N 362.857 4.103 0 40 FIAB Cc1nc(S[C@@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nc(C)c1C 7253215 WRORXEBLJKMKOH-MAUKXSAKSA-N 355.507 4.076 0 40 FIAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2c(c1)CCC2 7888953 HEINNTKGWZLBBT-UHFFFAOYSA-N 372.472 4.413 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)sc2ccccc12 8071489 CGHGTUKPCICDAQ-INIZCTEOSA-N 354.475 4.370 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)c1C 8434227 VEBIQFBEMCLWBD-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB COCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 8469076 MMDJMBNEPUQWAN-UHFFFAOYSA-N 370.276 4.317 0 40 FIAB O=C1Nc2ccc(S(=O)(=O)Nc3ccc4ccccc4c3)c3cccc1c23 8716695 KJWLMQJQVXCHKM-UHFFFAOYSA-N 374.421 4.360 0 40 FIAB COCCn1c(SCCc2ccccc2)nc2cc(Cl)ccc2c1=O 9354387 CSOHGFBLKDNJKZ-UHFFFAOYSA-N 374.893 4.031 0 40 FIAB COc1ccc(OC)c(-c2ccc(=O)n(Cc3cccc4ccccc34)n2)c1 10220832 DLHGFBVUZWAEDN-UHFFFAOYSA-N 372.424 4.129 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](CC)c1ccc(Cl)cc1 10423817 IVAOHQRUPAVKMC-GOSISDBHSA-N 354.837 4.034 0 40 FIAB COc1cc(Cl)c(NC(=O)c2cc(Cl)ccc2OC)cc1OC 11060607 PEZSFXCXATVAMC-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB COc1cc(Cl)c(NC(=O)COc2ccc(F)cc2Cl)cc1OC 11066424 AVZXDBQWCOGIIH-UHFFFAOYSA-N 374.195 4.167 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(O)c3c4c(sc3n2)CCCC4)C1 12219826 DAMZREGXWJGXHE-LBPRGKRZSA-N 373.522 4.028 0 40 FIAB Cc1ccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1 12416151 DJZLJDGUYAGQIY-CQSZACIVSA-N 353.809 4.219 0 40 FIAB CCN(c1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cc1)C(C)C 12564632 SZOGYJYHUUAXFF-UHFFFAOYSA-N 364.375 4.121 0 40 FIAB Cc1ccc(C)c2sc(NC(=O)c3cnc4c(cnn4C(C)C)c3)nc12 12786851 MTPQASNUCXWHLL-UHFFFAOYSA-N 365.462 4.491 0 40 FIAB O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 13004252 JEGJOYRODOAPEI-MRXNPFEDSA-N 373.836 4.184 0 40 FIAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1cc(Cl)cc(Cl)c1 13084834 QXTZYYWKHPJUDM-UHFFFAOYSA-N 374.607 4.363 0 40 FIAB Cc1ccc2cc3c(nc2c1C)OCCN(CCc1cccc(F)c1)C3 13563800 NMAPXZCQWMJCIU-UHFFFAOYSA-N 350.437 4.428 0 40 FIAB COc1ccc(C(=O)C2CCN(Cc3nc4ccccc4s3)CC2)cc1 14110456 QIRPHFFSWGPIME-UHFFFAOYSA-N 366.486 4.400 0 40 FIAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nc4ccccc4o3)ccc21 14142313 BULLHBDWYZKRGQ-GFCCVEGCSA-N 366.442 4.100 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 14182106 VJOPKOCWZFUCQO-JTQLQIEISA-N 372.471 4.400 0 40 FIAB COc1cc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1Cl 14347962 NJJFGNUTZDYNMN-UHFFFAOYSA-N 371.824 4.308 0 40 FIAB Fc1ccccc1OCCNc1nc(-c2cccnc2)nc2ccccc12 16694713 UWWYERDGHJDLMY-UHFFFAOYSA-N 360.392 4.322 0 40 FIAB C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](COc4ccccc4F)C3)ccc2O1 19497918 ANRKFIWIWGDAPL-JKSUJKDBSA-N 369.436 4.080 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)no2)cc1 19665768 AQAFIRYVIIWEHA-UHFFFAOYSA-N 362.414 4.421 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2cn3cc(Cl)ccc3n2)cc1 19716859 QGASYJMXCGTPHQ-GOSISDBHSA-N 369.852 4.364 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20143873 YWKMVMTUOOUBSN-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2OC)cc1OC 20486410 ZKJICDOETCMJIL-UHFFFAOYSA-N 365.429 4.138 0 40 FIAB Cc1cc(-c2nn3c(CSc4ccc(Cl)cc4)nnc3s2)no1 20717032 NRWQAVUSJNPBJY-UHFFFAOYSA-N 363.855 4.095 0 40 FIAB Cc1noc(C(C)C)c1C(=O)N(C)Cc1ccc(Br)s1 21558254 GKOZJAUPSTZFGD-UHFFFAOYSA-N 357.273 4.203 0 40 FIAB CCCc1cc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)sc1C 23877717 UHXDVCXTUHPCAV-CQSZACIVSA-N 371.502 4.139 0 40 FIAB COc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 28221086 QHRXSLQARVPYFM-INIZCTEOSA-N 358.869 4.199 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 30364782 SNDOFXTXFNNFDK-IBGZPJMESA-N 366.848 4.130 0 40 FIAB COc1cc(-c2nc3cnccn3c2Nc2cccc(C)c2C)ccc1O 35622645 LYGKQFKQHHXHMM-UHFFFAOYSA-N 360.417 4.471 0 40 FIAB O=C(c1ccc(Cl)cc1F)N(Cc1cccs1)C[C@H]1CCCO1 39995601 DOTFWEKSHUNXNJ-CYBMUJFWSA-N 353.846 4.362 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)cc1 40285196 DDMBSYGXZDIHLK-MRXNPFEDSA-N 355.344 4.283 0 40 FIAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc2c(s1)CCCCCC2 43271166 XPAQVMIQUTUOOB-MRXNPFEDSA-N 359.495 4.035 0 40 FIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(Cn2ccnc2)cc1 44854399 LGDYUSRHTMYHRU-GOSISDBHSA-N 361.489 4.418 0 40 FIAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)o1 47728072 DPROKPXEELSXPU-NSHDSACASA-N 361.829 4.016 0 40 FIAB C[C@H](CC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccccc1 55425772 XYXQWDLKAJFJRU-LJQANCHMSA-N 373.500 4.073 0 40 FIAB CN(C(=O)N[C@H]1CCOc2c(Cl)cccc21)[C@H]1CCc2ccccc21 56805213 TVEVNESWIYYHHC-ROUUACIJSA-N 356.853 4.493 0 40 FIAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1C(F)(F)F 58160410 ZLTXJGYQBBGNBS-GFCCVEGCSA-N 352.356 4.003 0 40 FIAB O=C(Cc1csc(-c2ccco2)n1)NC1(c2ccc(F)cc2)CCC1 63338533 KMPGSJGQCBEDFG-UHFFFAOYSA-N 356.422 4.280 0 40 FIAB CN(C(=O)c1cnn(C)c1C(F)F)c1ccccc1Oc1ccccc1 66354626 KWCILPCJYYYIBF-UHFFFAOYSA-N 357.360 4.427 0 40 FIAB O=C(c1ccc(Oc2ccccc2)o1)N1CCN(Cc2ccccc2)CC1 72260072 FHZYIZIMHWWZNQ-UHFFFAOYSA-N 362.429 4.030 0 40 FIAB CN(C)c1ncc(CN[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cn1 72337861 VCFQAMJNDXRJDL-MUGJNUQGSA-N 370.928 4.258 0 40 FIAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccccc1OC 85397520 JHVOPIDGSZALCN-UHFFFAOYSA-N 369.442 4.493 0 40 FIAB Cc1ccccc1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 95116504 KCRMNUOLWVYKDM-UHFFFAOYSA-N 350.443 4.490 0 40 FIAB Nc1c(Cl)cc(NC(=O)[C@H]2CSc3ccccc3O2)cc1Cl 95393013 JETSUUPOTOXIDA-GFCCVEGCSA-N 355.246 4.067 0 40 FIAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)cc2c1N(C)C(=O)C2(C)C 96182175 PXCBPWNMBOYWAD-UHFFFAOYSA-N 366.461 4.289 0 40 FIAB CCc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 101277171 PBEFHHPKPUMLDU-INIZCTEOSA-N 363.244 4.300 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 102794506 PMFUBIXVSYKVSG-FAJBIJEISA-N 369.509 4.177 0 40 FIAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 107134643 VEWIIMJSFUIFNJ-GHDARCQNSA-N 354.538 4.361 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 219291520 BRUJOXJIVJOSPU-OAHLLOKOSA-N 361.869 4.255 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc(OC)c3OC)N21 222659482 HAARGAYJLMNQEX-FSPWUOQZSA-N 369.490 4.078 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 224709580 XWAMEPANDDAJJS-QFIPXVFZSA-N 367.489 4.438 0 40 FIAB CCc1ccccc1NC(=S)NC1CCN(Cc2cccs2)CC1 225231415 RQEJVZUMEPAWMX-UHFFFAOYSA-N 359.564 4.262 0 40 FIAB COC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2)ccc1Cl 225305021 CSHQRVVHCUUQIS-UHFFFAOYSA-N 369.273 4.267 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)ccc1Cl 225379468 ZVQVWQSYOPPJGQ-SNVBAGLBSA-N 371.915 4.406 0 40 FIAB O=C(COc1cccc2c1CCCC2)NCCSCc1ccccc1F 225684682 VDXPRTIYCUUJRE-UHFFFAOYSA-N 373.493 4.133 0 40 FIAB CCOc1cc(C(=O)OC)cc(Cl)c1OC(=O)c1cccc(Cl)c1 226307206 JJFOBZQKGROVLG-UHFFFAOYSA-N 369.200 4.398 0 40 FIAB CCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCc4ccccc4)OCC[C@@]31C2 257276449 NTUUBVLQHXXWFQ-WMFFNKJVSA-N 355.522 4.355 0 40 FIAB CN(C)C(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408982543 YNNFKCYBTKDLEE-UHFFFAOYSA-N 364.430 4.408 0 40 FIAB O=C(O)COc1ccc(-c2nc3ccccc3s2)cc1Br 409194550 POZLXZFISXFFPS-UHFFFAOYSA-N 364.220 4.189 0 40 FIAB COCCc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2)cc1 504232262 GBWXLOXTSBPTKP-NJDAHSKKSA-N 367.445 4.174 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H](C)Cc2cc3ccccc3o2)cc1OC 575415667 NALPKTGCOVPRDA-GDXASINISA-N 365.429 4.211 0 40 FIAB CSCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 597504760 QSCTVPHCFVZCOV-AWEZNQCLSA-N 372.465 4.070 0 40 FIAB CC(C)[C@H](NC(=O)CCCCCn1cccc1)c1nc2ccccc2[nH]1 604418499 DSGHBCLVZZOYLE-FQEVSTJZSA-N 352.482 4.438 0 40 FIAB Cc1ccc2cc(C(=O)N3Cc4cccc(Br)c4C3)[nH]c2c1 681205037 ZXPDWUKJNAZAQL-UHFFFAOYSA-N 355.235 4.395 0 40 FIAB O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cc(C2CC2)nc2ccccc12 683505376 SQBUJKNAOHCSFB-QGZVFWFLSA-N 358.441 4.105 0 40 FIAB Fc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501039894 JWQVWEVMOQZGFX-UHFFFAOYSA-N 356.451 4.425 0 40 FIAB CCn1nc(C(=O)NC2(C(C)(C)c3ccc(F)cc3)CC2)cc1C1CC1 1556650385 LYZIMKJTXKOVGT-UHFFFAOYSA-N 355.457 4.160 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)N1C[C@H](O)C[C@@H]1c1ccccc1 1562097952 WZMFTUHUDQWTBN-QZTJIDSGSA-N 365.458 4.150 0 40 FIAB N[C@H](c1cccc(C(=O)c2ccc(Br)cc2)c1)C(F)(F)F 1775937813 RGUYXKFBJWVKLY-CQSZACIVSA-N 358.157 4.242 0 40 FIAB CCCc1cc(C(=O)N2CC(C)(C)C(=O)Nc3ccncc32)sc1C 1775961412 YWVVSBKGCGHISX-UHFFFAOYSA-N 357.479 4.029 0 40 FIAB Cc1cccc(OC[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 1775969241 FQARBPCFHPHJST-FQEVSTJZSA-N 352.478 4.030 0 40 FIAB Brc1c(OCc2cn3cccnc3n2)ccc2ccccc12 952189 NZSRHXJKOFRVNH-UHFFFAOYSA-N 354.207 4.224 0 40 FIAB Cc1cccc(C)c1NC(=O)NC1(C(=O)N2CCCCC2)CCCCC1 1344905 BDKYURWJNHRQLL-UHFFFAOYSA-N 357.498 4.140 0 40 FIAB Cc1ccc(N2C(=O)[C@H]3CS[C@H](c4ccc(Cl)cc4)N3C2=O)cc1 1443393 PQTBDAXTGHRNMG-NVXWUHKLSA-N 358.850 4.231 0 40 FIAB CCC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 2233609 ZPEKDQDPKOMSKM-UHFFFAOYSA-N 361.195 4.311 0 40 FIAB CCOC(=S)SCC(=O)Nc1nc(C)c(-c2ccccc2)s1 3226074 QRNJXLAXQBZDSU-UHFFFAOYSA-N 352.506 4.112 0 40 FIAB COCCN(C(=O)c1ccccc1)c1nc(-c2ccc(OC)cc2)cs1 4169354 IVVQDTROQMHBTE-UHFFFAOYSA-N 368.458 4.112 0 40 FIAB CCN(CC)CCN(C(=O)c1ccccc1F)c1nc2ccccc2s1 4585319 YWQHIYFINKYWCO-UHFFFAOYSA-N 371.481 4.424 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2 4767876 PMFIPVCJOJVODX-CYBMUJFWSA-N 373.474 4.210 0 40 FIAB Cc1ccc(S(=O)(=O)CC(=O)n2c3ccccc3c3ccccc32)cc1 4834868 KIWZEPSRPPSRED-UHFFFAOYSA-N 363.438 4.217 0 40 FIAB CC(C)(C)N1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 4866118 XAJWMWFANBOTLV-UHFFFAOYSA-N 372.896 4.263 0 40 FIAB Cc1oc2ncn3nc(COc4ccc(C(C)(C)C)cc4)nc3c2c1C 5323561 WGTPGDRURGUCQE-UHFFFAOYSA-N 350.422 4.364 0 40 FIAB CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1-c1ccco1 6356700 RFWQGUNNHJPOOS-UHFFFAOYSA-N 367.434 4.209 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSCCOc2ccc(Cl)cc2)c1C 6602670 ZPBCWVMZERKRQW-UHFFFAOYSA-N 365.882 4.482 0 40 FIAB O=C(COCc1cc(-c2ccco2)on1)Nc1cc(Cl)cc(Cl)c1 6876683 VJJMOQWOXJTQFU-UHFFFAOYSA-N 367.188 4.397 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nc2ccc(F)cc2s1 7007778 UKBCOOBTEDHHNK-SECBINFHSA-N 350.802 4.495 0 40 FIAB CSc1ccc(NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)cc1 8049076 SIHKLTGUISNXGP-AWEZNQCLSA-N 374.531 4.416 0 40 FIAB CC(C)(C)c1ccccc1OCC(=O)NCCSCc1ccccc1 8497710 CAGZKMJRIIOVCZ-UHFFFAOYSA-N 357.519 4.413 0 40 FIAB CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9791474 ZQHZXCOTAHKBLY-XOBRGWDASA-N 372.440 4.354 0 40 FIAB Cc1csc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)n1 10555958 MRDXVMRHMDTMQV-KRWDZBQOSA-N 364.426 4.158 0 40 FIAB COc1ccc2cc(C(=O)OCc3cc(-c4ccco4)on3)c(C)nc2c1 10726518 HXOIDFBEUVWMDV-UHFFFAOYSA-N 364.357 4.157 0 40 FIAB CC[C@H](C(=O)Nc1[nH]nc(-c2cccs2)c1C)n1cnc2ccccc21 12147451 SDRQFJPIAYNOIB-CQSZACIVSA-N 365.462 4.386 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(F)c1 12482830 PYQCFBRETORFMM-UHFFFAOYSA-N 369.223 4.233 0 40 FIAB COc1ccc(-c2noc(CN3c4ccccc4CC[C@H]3C)n2)cc1OC 12561299 IGRBLWQRUFSLNE-CQSZACIVSA-N 365.433 4.095 0 40 FIAB NC(=O)CSc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 12696553 WBXXCXNHQWBFJV-UHFFFAOYSA-N 362.454 4.183 0 40 FIAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl 12777343 PJPAWHWJONXREK-UHFFFAOYSA-N 352.217 4.336 0 40 FIAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(C(=O)NC2CC2)cc1 12805813 LBGAYGVOHAXBAZ-UHFFFAOYSA-N 374.440 4.410 0 40 FIAB CCCCCc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 14228900 VSYIXUPNSRTKPF-UHFFFAOYSA-N 359.491 4.216 0 40 FIAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(F)cc(F)c1 16147512 AIXHVENDHLJIGX-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB CSc1ccc(CN(C)[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)cc1 16623481 VEGZKGJMDIAKHJ-AWEZNQCLSA-N 356.491 4.070 0 40 FIAB COc1ccccc1NC(=O)N(C)Cc1ccccc1N1CCCCC1 17743721 IZPXEJOPEKSHKC-UHFFFAOYSA-N 353.466 4.349 0 40 FIAB Cc1occc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18157582 GUSALRICLAKFLV-UHFFFAOYSA-N 357.413 4.371 0 40 FIAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C3CCSCC3)cc2n1 19116831 DCEHVJLFPQKODK-AWEZNQCLSA-N 370.444 4.089 0 40 FIAB Cc1ccccc1CN1CCC(c2nnc(-c3scnc3C)o2)CC1 19237170 PXVUCZCYEQTSMV-UHFFFAOYSA-N 354.479 4.190 0 40 FIAB CC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)no1)c1c(C)nn(CC)c1C 19655940 CZBUHYVQCXFGTQ-MRXNPFEDSA-N 370.428 4.195 0 40 FIAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)C1 19933117 BHOJTORKYUYDDN-SFHVURJKSA-N 368.496 4.420 0 40 FIAB O=C(NCc1ccncc1)c1ccccc1-c1ccc(C(F)(F)F)cn1 22996644 NDVMNPPVHGIPQX-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2)CC1 23694125 LZENCQXVXUQMEX-OAHLLOKOSA-N 368.868 4.273 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N[C@@H](c3ccccc3)C(C)C)n2)cc1 24273114 BBAVHRSUSHUZDZ-OAQYLSRUSA-N 363.461 4.491 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)N2CCCC2)cc1 27794333 DDHJDFGOZKYRKS-QFIPXVFZSA-N 366.505 4.349 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1 28284359 QXESIRAEJRCOPK-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB CN(Cc1ccccc1Br)C(=O)c1cccc2ncccc12 30896554 DGHMEOPEFUODLZ-UHFFFAOYSA-N 355.235 4.270 0 40 FIAB C[C@]1(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)CC1(Cl)Cl 31128020 CXGFNBORPZZXGE-MEDUHNTESA-N 353.249 4.118 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1ccc2[nH]ccc2c1)C1CC1 32123971 HVIOGIOTDRWOPK-FPYGCLRLSA-N 360.413 4.101 0 40 FIAB biogenic O=S(=O)(Cc1ccccc1)NCc1cccc(Oc2ccccc2)c1 32469760 JHVNUJMLRQUFIQ-UHFFFAOYSA-N 353.443 4.099 0 40 FIAB O=C(CN(Cc1ccccc1)Cc1ccco1)NCc1ccccc1Cl 32664851 PWRNUMRIBBYZJV-UHFFFAOYSA-N 368.864 4.252 0 40 FIAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(OCc2ccncc2)cc1 32796497 XAHXXDOSCFVTSU-UHFFFAOYSA-N 350.393 4.072 0 40 FIAB O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H]1c1ccncc1 32909729 HJUKHZCCYFQBIH-OAHLLOKOSA-N 365.658 4.475 0 40 FIAB Cc1ccc(C(=O)Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 41108753 CVUWOULDCOZZDX-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB CC1CCN(Cc2csc(NC(=O)CSc3ccccc3)n2)CC1 43943695 QJBXMTWOHALPHA-UHFFFAOYSA-N 361.536 4.106 0 40 FIAB Cc1nc(S[C@H](C)c2nc(C(C)(C)C)no2)n(C[C@@H]2CCCO2)c1C 48331601 NWBDRPPEJWWPKY-KGLIPLIRSA-N 364.515 4.213 0 40 FIAB FC(F)(F)c1cccc(CN2CC(c3nc(-c4cccs4)no3)C2)c1 49484683 NEEYLIKUDPVTGS-UHFFFAOYSA-N 365.380 4.416 0 40 FIAB CCO[C@@H](C(=O)Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1 58165913 ZKBNMDSMNDHUAX-QGZVFWFLSA-N 353.447 4.251 0 40 FIAB CN(C(=O)NC1CCN(Cc2ccccc2)CC1)C1CCCCCCC1 70019220 OWXPBVMUZBQLQI-UHFFFAOYSA-N 357.542 4.405 0 40 FIAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3cccnc3)n2)cc1 72357902 HAJKTGNDJWSCQA-QHCPKHFHSA-N 371.484 4.282 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 78579176 USVOLGDUIXTHEJ-HNNXBMFYSA-N 367.474 4.017 0 40 FIAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCC[C@@H]1Cc1cccc(F)c1 84372388 NWWVPSIBIKKUMG-OAHLLOKOSA-N 361.800 4.055 0 40 FIAB CC(=O)c1cccc(NC(=O)NC[C@@H](C)c2nc3ccccc3s2)c1 84638431 DPCUUFOAFPHICZ-GFCCVEGCSA-N 353.447 4.424 0 40 FIAB Cn1nnc2cc(C(=O)N3CCCCC[C@@H]3/C=C/c3ccccc3)ccc21 84839079 JORNPTYLPAZREH-XSSIKURBSA-N 360.461 4.067 0 40 FIAB Cc1cccn2c(=O)cc(CN3CCCC[C@H]3c3cc4ccccc4[nH]3)nc12 108385828 BXDFOASUDCRVOO-NRFANRHFSA-N 372.472 4.211 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219357086 DRIMWGGNYOEYBY-RBUKOAKNSA-N 369.461 4.271 0 40 FIAB Cc1nc2ccccn2c1C(=O)N1CCS[C@@H](c2cccs2)CC1 219498902 OWOCVYXNBPHXIJ-OAHLLOKOSA-N 357.504 4.025 0 40 FIAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223334109 JUSCSUAUONTGMM-HSZRJFAPSA-N 372.468 4.093 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc(C)c2)cc1 224439221 ITMILUSRBLQELK-NRFANRHFSA-N 355.478 4.300 0 40 FIAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224470943 KCQQGGPSNVJCBP-QZTJIDSGSA-N 368.893 4.251 0 40 FIAB CCC[C@H](C)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224889806 PGKKBVNQLBQRSU-LBPRGKRZSA-N 365.271 4.342 0 40 FIAB CCSc1ccccc1NS(=O)(=O)c1cc(C)c(OC)cc1C 225246182 WTUNXCGZJYFCLM-UHFFFAOYSA-N 351.493 4.225 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3cccs3)no2)cc1Cl 225826875 CCTRTNNHHYHINK-UHFFFAOYSA-N 364.883 4.247 0 40 FIAB COc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2C)cc1 226288263 KYIRZPYAZJDYAF-UHFFFAOYSA-N 372.424 4.416 0 40 FIAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)c1cccc(Cl)c1 226289032 SZEHLRRQMOJWDM-UHFFFAOYSA-N 366.822 4.129 0 40 FIAB CC(C)CCOC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 245333867 BKIGWJWPWZKNDY-FXELSEDVSA-N 366.457 4.474 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](c3ccn[nH]3)C2)cc1 257216264 CTTCHULBPMNPCA-SFHVURJKSA-N 361.445 4.155 0 40 FIAB COc1cccc(-c2nn3c(CSCc4ccccc4)nnc3s2)c1 1501039881 FLDOFUBLARIXNM-UHFFFAOYSA-N 368.487 4.295 0 40 FIAB CCCN1C(=O)N(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc21 1889133934 FJWXDSUTVRKXGH-UHFFFAOYSA-N 364.854 4.194 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)c2ncccc2F)CN1c1cccc(F)c1 2037988386 CSDJQOZKUHUBOK-OAQYLSRUSA-N 371.431 4.024 0 40 FIAB COc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC 682375 HJBYBQMVFYBODI-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 840798 MGQWWCWPYTWWNP-NSHDSACASA-N 351.855 4.477 0 40 FIAB Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1 840925 FAYGYOGDMUGKBB-OAHLLOKOSA-N 361.363 4.444 0 40 FIAB O=C(c1ccco1)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 882089 IBJVKMZDEZDAGM-OAHLLOKOSA-N 354.431 4.229 0 40 FIAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1OC 948629 CGBSLOQNRCUVCF-UHFFFAOYSA-N 352.390 4.172 0 40 FIAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)o1)N1CCOCC1 1574800 PCLBTJHSJHATQX-UHFFFAOYSA-N 352.843 4.089 0 40 FIAB Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc2ccccc12 2228251 DPKIZRNZECBVSR-UHFFFAOYSA-N 354.413 4.094 0 40 FIAB COc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 2296120 WDNVUZIOHZOCOI-FQEVSTJZSA-N 356.381 4.015 0 40 FIAB CC(C)CCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21 2299560 UESHYMXRKYBDJR-UHFFFAOYSA-N 353.418 4.095 0 40 FIAB CC1(C)CCCC(C)(C)N1C[C@@H](O)COc1ccccc1Br 2696139 XENPODWNAKEKAQ-CQSZACIVSA-N 370.331 4.232 0 40 FIAB Fc1cccc([C@@H]2C[C@@H](c3cccc(Br)c3)Nc3ncnn32)c1 2914623 LAGFBBHYKOWLFK-HOTGVXAUSA-N 373.229 4.326 0 40 FIAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccc(F)cc1 2963420 BTPTXVXUJLNOJP-BEFAXECRSA-N 358.438 4.159 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccco2)c2c[nH]c3ccccc23)cc1 3343537 QJXDVFHZPAYCQF-SFHVURJKSA-N 360.413 4.331 0 40 FIAB Cc1ccc(-n2c(Sc3cnccn3)nnc2-c2ccccc2)cc1C 3420792 BQUUYKPSHIPONN-UHFFFAOYSA-N 359.458 4.492 0 40 FIAB Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1C 3635574 JBGBOCOOARBZFX-UHFFFAOYSA-N 361.463 4.100 0 40 FIAB CCC(=O)Nc1c(C(=O)Nc2ccc(OC)cc2OC)oc2ccccc12 4162574 BQSJQCJWNIBWTI-UHFFFAOYSA-N 368.389 4.051 0 40 FIAB CCCCC1=NN(C(=O)CCCc2ccccc2)[C@](O)(C(F)(F)F)C1 4265771 UVNAXNFNYNWLST-QGZVFWFLSA-N 356.388 4.039 0 40 FIAB O=C(Cn1c(=O)oc2ccccc21)OCc1ccc(-c2ccccc2)cc1 4884913 FQULEMZJNKHDND-UHFFFAOYSA-N 359.381 4.005 0 40 FIAB Cc1ccc(-c2nc(CSc3nnnn3-c3ccccc3)cs2)cc1 5035439 JVSVCHUBAZYRHC-UHFFFAOYSA-N 365.487 4.387 0 40 FIAB Cc1ccccc1CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 5334778 MNZPXYGWRMAUCU-XMMPIXPASA-N 370.452 4.185 0 40 FIAB C[C@H]1CCc2sc3nc(NCCc4ccccc4)n4ncnc4c3c2C1 5499523 DIFGRIRVRCMXLM-ZDUSSCGKSA-N 363.490 4.118 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 5558799 NXCBJWBBKVRKKH-LBPRGKRZSA-N 364.239 4.254 0 40 FIAB CC1(C)Cc2nc(C(F)(F)F)c3[nH]c4ccccc4c3c2[C@H](NC=O)C1 5625279 AHTGSZHSMMXFCA-GFCCVEGCSA-N 361.367 4.494 0 40 FIAB COc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cn1 5687619 CIGDLZFESSCCHS-UHFFFAOYSA-N 369.446 4.240 0 40 FIAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)n(-c2nc3ccccc3[nH]2)n1 5695862 LALKKBRCEMHTBL-UHFFFAOYSA-N 369.787 4.102 0 40 FIAB COc1cccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1 5798512 VQEHUBHDYRDERA-CXUHLZMHSA-N 374.849 4.455 0 40 FIAB Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)n[nH]2)cc1 5827294 WOFPRADGMOBLLN-UHFFFAOYSA-N 355.463 4.309 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)c3ccccc3)o2)cc1 5863682 PWTVJYSVYRHTJY-CQSZACIVSA-N 353.447 4.189 0 40 FIAB CCOC(=O)c1sc2[nH]c(/C=C/c3ccccc3Cl)nc(=O)c2c1C 6380750 LQAHNHPYZURNFE-CMDGGOBGSA-N 374.849 4.294 0 40 FIAB CCN1C/C(=C\c2ccccc2F)c2nc3ccccc3c(C(=O)O)c2C1 6429647 JZOMAOCGTVZCFY-RVDMUPIBSA-N 362.404 4.448 0 40 FIAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2)n1 6810505 YYCBFFFSAGHKDO-UHFFFAOYSA-N 351.859 4.283 0 40 FIAB O=C(CSc1ccccc1F)N1CCC(c2nc3ccccc3o2)CC1 7090891 MVTSYIZUDJADGA-UHFFFAOYSA-N 370.449 4.465 0 40 FIAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1C 7637706 HDKDSHCMERVOLO-UHFFFAOYSA-N 352.478 4.360 0 40 FIAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)N(C)C3CCCCC3)cc2c1C 7974070 NASHSEJHKKPNJM-OAHLLOKOSA-N 356.466 4.121 0 40 FIAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1Cc1ccccc1 7988379 BQLUYROLRQKDLB-UHFFFAOYSA-N 373.452 4.021 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)c(Cl)c2)n1 8477030 BQJCZYVAJDTFEU-UHFFFAOYSA-N 368.868 4.344 0 40 FIAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccc(F)cc1 8654821 QFSCANBESUJBAO-LJQANCHMSA-N 360.860 4.436 0 40 FIAB C[C@H]1C[C@H](Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)O1 9516051 BSNGISICPXGOIQ-BBRMVZONSA-N 363.442 4.002 0 40 FIAB Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)c1 9626408 BPKOWFOVKVCQFP-UHFFFAOYSA-N 372.494 4.005 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)c2c(C)[nH]c3ccccc23)cc1 9698338 QUAOBSLXKCONQF-UHFFFAOYSA-N 352.459 4.339 0 40 FIAB CCOc1ccccc1C(=O)NCc1ccc(CN2CCCCC2)cc1 10456695 WUBTZQNURZFRQR-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB COc1ccc(CNC(=O)c2cn(Cc3ccccc3)c3ccccc23)cn1 10991663 STYWYBAOGUBGDP-UHFFFAOYSA-N 371.440 4.023 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 11975889 QJMZFJKHNGNGPV-UHFFFAOYSA-N 354.837 4.093 0 40 FIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccc(OC)cc1)C3 12222212 QRARBOMSMUREGJ-UHFFFAOYSA-N 364.401 4.157 0 40 FIAB CCCn1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)n1 12366607 VOMUXLPKGOXXIL-QCFAMHMHSA-N 351.494 4.304 0 40 FIAB Cn1c(C[C@H](NC(=O)c2ccccc2)c2ccccc2)nc2ccccc21 12627316 LADISEKIZXYRQM-FQEVSTJZSA-N 355.441 4.287 0 40 FIAB Cc1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 12793988 PJKTVQYWNJKNIA-UHFFFAOYSA-N 366.461 4.107 0 40 FIAB O=C(Cc1ccccc1F)Nc1nc(-c2ccc3c(c2)CCO3)cs1 13007087 VODBMQRPQJBDMR-UHFFFAOYSA-N 354.406 4.065 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)N1CCC(CCc2ccccc2)CC1 13019090 FOACXPGVKWKXFI-GOSISDBHSA-N 366.505 4.367 0 40 FIAB Cc1ccc2cc3c(nc2c1C)OCCN(CCOc1ccc(F)cc1)C3 13563804 MPIKUYNCMTXPKH-UHFFFAOYSA-N 366.436 4.264 0 40 FIAB COCCn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O 13637359 KKXRPCNCKNGZSP-UHFFFAOYSA-N 356.425 4.377 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 14399467 KECYARISZYIIRT-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 14428981 LSDQPVAPLUYTDJ-HNNXBMFYSA-N 364.832 4.485 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1 16024084 ALORAJDSJLSZLI-VQIMIIECSA-N 358.441 4.070 0 40 FIAB Cc1ccc2c(-c3nnnn3-c3ccc(Br)cc3)c[nH]c2c1C 16348815 KIGYBHCARMLOIP-UHFFFAOYSA-N 368.238 4.190 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=S)Nc2ccccc2OC)c(OC)c1 18163903 SCAMWDLVZUUSLR-KRWDZBQOSA-N 372.490 4.246 0 40 FIAB CC(C)OCCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20453026 FSFZNCHTQGIONW-UHFFFAOYSA-N 366.505 4.184 0 40 FIAB CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(C)cc1 21188675 AOJGLSVKEXUHIZ-UHFFFAOYSA-N 374.325 4.030 0 40 FIAB CCOc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCO)cc1 22855445 XTYHVOPIHDTYAW-VZCXRCSSSA-N 374.893 4.493 0 40 FIAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1cnccn1 24987659 YMKRJLXWLJWYKX-UHFFFAOYSA-N 365.245 4.083 0 40 FIAB O=C(NC1CCC(c2ccccc2)CC1)c1cncc(Br)c1 25097683 SREYLQHAQGDYEQ-UHFFFAOYSA-N 359.267 4.300 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 25380137 SMUGGIVRYQGWNL-UHFFFAOYSA-N 372.856 4.314 0 40 FIAB O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc(Br)cc1 29177281 VCEOGZQIRARWHO-SFHVURJKSA-N 373.294 4.016 0 40 FIAB CCN(c1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1)C(C)C 30675880 MZGKMHHKJZDHKC-FOIQADDNSA-N 354.450 4.088 0 40 FIAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 32124331 OHUQIZLPFUAOKR-UHFFFAOYSA-N 358.397 4.079 0 40 FIAB biogenic Cc1ccc(CN(CCCn2ccnc2)CC2=Cc3ccccc3OC2)o1 36740263 HAZZBXRJZBLHCY-UHFFFAOYSA-N 363.461 4.153 0 40 FIAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(Cl)c1F 37151228 CVASCLSNNQHERZ-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)Nc3cccnc3Cl)nc2c1 38150001 JQAMDOGZAZFMEZ-UHFFFAOYSA-N 373.865 4.331 0 40 FIAB O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccccc2Cl)CC1 39767734 QHHQTRCDYFCCQD-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(Br)o1 44318234 QCSVICAGIHGTCG-NSHDSACASA-N 352.228 4.387 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cc(C)ccc1C 44903091 LGJWKIZEEMEESZ-GOSISDBHSA-N 355.434 4.276 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)C1(c2cc(-c3ccccc3)on2)CC1 56919576 IEBQWNIXTZEKSN-UHFFFAOYSA-N 371.440 4.213 0 40 FIAB Cc1ccccc1OCCNC(=O)/C=C/c1ccc(Br)s1 59823567 BTYDDMJENLFORX-VQHVLOKHSA-N 366.280 4.027 0 40 FIAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2cccc(C(F)(F)F)c2)no1 60211175 BYWKOZCLYQUMNI-UHFFFAOYSA-N 355.360 4.051 0 40 FIAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(Cl)c3)n[nH]2)CC1 64875491 UNMYXNYEMGIKEZ-UHFFFAOYSA-N 362.861 4.240 0 40 FIAB CC(C)(C)c1cn2nc(NCCNc3ccc4ccccc4n3)sc2n1 65533735 UMONXTKQDXXCCC-UHFFFAOYSA-N 366.494 4.161 0 40 FIAB CN(C[C@@H]1CCCO1)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccc1 72289573 HZFVXANSIYLEHK-AWEZNQCLSA-N 367.371 4.139 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NC[C@@H](O)c1cccs1 75155996 WUQWAHIHWAWITG-LJQANCHMSA-N 351.471 4.120 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NC[C@H](O)c3ccc(C)o3)c(F)c2)cc1 78869992 NHOLKRWRDGFYFT-IBGZPJMESA-N 353.393 4.166 0 40 FIAB c1ccc(-c2nnc3n2CCN(Cc2cccc(-c4ccccn4)c2)C3)cc1 93842791 WKBVVAVKQAXCEZ-UHFFFAOYSA-N 367.456 4.023 0 40 FIAB CC(C)(C)[C@H]1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CCO1 95450723 PFGJXLHOKXEUTO-GDBMZVCRSA-N 361.873 4.054 0 40 FIAB Cc1ccc([C@@H]2CC(c3ccco3)=NN2C(=O)CCN2CCCCC2)cc1 95946153 XSMZNENDRWVSND-FQEVSTJZSA-N 365.477 4.142 0 40 FIAB COc1ccccc1CN(C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C 95949300 ZQPNFJXKQCXRDU-UHFFFAOYSA-N 364.449 4.162 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@@H]3c1ccc2ncccc2c1 96222291 CKSMHIYNKSTNOR-MRXNPFEDSA-N 357.365 4.091 0 40 FIAB biogenic O=C(NCc1cccc(Oc2ccccn2)c1)c1ccc(Br)o1 96382636 RLOJYSNGITTYPI-UHFFFAOYSA-N 373.206 4.159 0 40 FIAB CC(C)CN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1 97212377 AOBPCRRWVZLLHE-UHFFFAOYSA-N 353.344 4.016 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 97632511 NAFISLZINBYCSH-BXUZGUMPSA-N 365.886 4.177 0 40 FIAB O=C(C1CC1)N1[C@@H]2CC[C@@H]1c1c(nc(C3CC3)nc1Nc1ccccc1)C2 100222769 VDJYBSUSLRIGFD-SJLPKXTDSA-N 360.461 4.096 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccco2)c1 100423597 VRFWIBANEXJTKA-ROUUACIJSA-N 355.507 4.070 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 100664015 WPEMSHFJDFYNQV-WCAYHLDQSA-N 357.409 4.036 0 40 FIAB O=c1cc(-c2ccccc2)nc(/C=C(/O)c2ccncc2)n1-c1ccccc1 104283906 ZNGDKKCACHZZCK-LTGZKZEYSA-N 367.408 4.351 0 40 FIAB CC(C)(C)OC(=O)Cn1c(C(=O)OCc2ccccc2)cc2ccccc21 140052211 YVBGFNPXYFYEIX-UHFFFAOYSA-N 365.429 4.340 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)c2ccccc12 222626777 MYKWVEBTSNWGPD-HNNXBMFYSA-N 351.402 4.152 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222735593 VVYVHDCNABHSBB-APWZRJJASA-N 369.461 4.109 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C 223243612 PBLRZNPRAKJYGI-SFHVURJKSA-N 361.507 4.378 0 40 FIAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1 225782925 CTLQDBGBPMSACZ-LBPRGKRZSA-N 354.397 4.459 0 40 FIAB CC(C)Oc1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1 225812070 GMRYLMRGZCAQJA-UHFFFAOYSA-N 367.367 4.188 0 40 FIAB CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@H]2CCCNC2)n1 257274405 NKYYBJLUNAGDTO-SFHVURJKSA-N 359.477 4.312 0 40 FIAB CC[C@H](O)Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(Cl)cc1 257302679 SDVLPXXZHHCXPL-KRWDZBQOSA-N 370.836 4.340 0 40 FIAB O=C(N1CCCCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257311575 UKDNJZSOSICJOJ-UHFFFAOYSA-N 364.489 4.100 0 40 FIAB CC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1 260781369 SSLODWHSBGZBEB-NIKGAXFTSA-N 353.491 4.458 0 40 FIAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1O 409011330 GCIQLGMGKIQGRC-ITTMYVLYSA-N 355.843 4.279 0 40 FIAB CCc1ccc([C@@H]2CCCCCN2Cc2cc(=O)n3cccc(C)c3n2)o1 533426827 IYFLOVPXQHEVBJ-IBGZPJMESA-N 365.477 4.276 0 40 FIAB Cc1ccccc1C1(C(=O)Nc2cnn(CC(F)(F)F)c2)CCCC1 585085241 HEDZIPUPKRDDTR-UHFFFAOYSA-N 351.372 4.204 0 40 FIAB O=C(N[C@@H]1CCCc2c(F)cccc21)N1CCC([C@H]2CCCCO2)CC1 664975187 SIVLAMPYXYPDOP-WOJBJXKFSA-N 360.473 4.194 0 40 FIAB O=C(c1cc(F)cc(F)c1)N1CC(Cc2ccccc2C(F)(F)F)C1 1116241997 PUBDAQSNBYRCKM-UHFFFAOYSA-N 355.306 4.298 0 40 FIAB CN1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CC1 1264019548 YKCZFMQOBLKTBX-UHFFFAOYSA-N 371.484 4.358 0 40 FIAB C[C@@H]1CC(CNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)C[C@@H](C)C1 1666491729 UWXNBFIKZNMYOL-HOTGVXAUSA-N 357.498 4.116 0 40 FIAB CCCc1nc2ccccc2n1C[C@@H](O)COc1c(C)cc(C)cc1C 708885 YJRQOSQGWJTERI-GOSISDBHSA-N 352.478 4.354 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 852264 ZVCUMVRTUIAHBY-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB COc1ccc([C@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1 1067815 BGMIFAULNOLKCG-FQEVSTJZSA-N 362.454 4.039 0 40 FIAB aggregator CSc1nc2nccc([C@H](C)Oc3ccc(Cl)cc3Cl)n2n1 1384787 GNDVKCNQMKOCHR-QMMMGPOBSA-N 355.250 4.293 0 40 FIAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2122950 MDJRZSNPHZEMJH-MMCSLPJJSA-N 374.521 4.059 0 40 FIAB CCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 2320456 BYWDEQFATUDYQS-UHFFFAOYSA-N 373.416 4.044 0 40 FIAB Cc1ccccc1Cn1cc(NC(=S)Nc2ccc(F)cc2C)cn1 2799395 IQFHITQUHYXSTP-UHFFFAOYSA-N 354.454 4.496 0 40 FIAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 3548942 XSVJYDYYHZKAHL-CQSZACIVSA-N 372.852 4.039 0 40 FIAB Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C(F)(F)F)cc1 4038445 AYWPPUFOXRLCLS-UHFFFAOYSA-N 371.362 4.401 0 40 FIAB CCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1 4355901 MYUMGRCPXLLNIV-UHFFFAOYSA-N 371.506 4.083 0 40 FIAB O=C(OCc1cn2ccccc2n1)c1cc2c(s1)-c1ccccc1OC2 4491940 VPPOPWKOEQTDRA-UHFFFAOYSA-N 362.410 4.312 0 40 FIAB O=C(c1ccccc1)[C@@H]1CN(C2CCCCC2)CC[C@]1(O)c1ccccc1 4721467 LNTVSDPXHOIVLW-UPVQGACJSA-N 363.501 4.412 0 40 FIAB C[C@H](OC(=O)CSc1ccccc1F)C(=O)c1c[nH]c2ccccc12 5418672 SMFDPTFMMCGZMS-LBPRGKRZSA-N 357.406 4.214 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2ccccc2s1 5740113 YCOCYHUKCCZCIM-UHFFFAOYSA-N 361.879 4.005 0 40 FIAB COc1cccc(COC(=O)/C=C/c2ccc(OC(F)F)cc2)c1OC 6236692 ZFYXRFHKVIDNBS-DHZHZOJOSA-N 364.344 4.062 0 40 FIAB C[C@H](Sc1nccn1C)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 6370129 VRDXOMXJPCNUNE-VIFPVBQESA-N 374.516 4.300 0 40 FIAB CCOc1cc(C(=O)CCC(=O)N2CCC[C@H]2c2cccs2)ccc1O 6589435 RUUQULYDYDCVKN-HNNXBMFYSA-N 373.474 4.179 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cc(Cl)c3c(c2)OCCCO3)N1C1CC1 7364429 QXKUUEFTQFAUAY-LJQANCHMSA-N 370.836 4.230 0 40 FIAB O=C(CSc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 7883941 BVIJFFYSWDWMGA-UHFFFAOYSA-N 357.456 4.433 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 8029416 HYQBNTBTNXASDV-KRWDZBQOSA-N 368.433 4.287 0 40 FIAB O=C1CCCN1c1ccccc1NCc1nc(-c2ccccc2Cl)no1 8194698 FRXZMYJPDQOOOT-UHFFFAOYSA-N 368.824 4.129 0 40 FIAB CCc1cccc(CC)c1NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 8753273 WHMZNBPSJQOTCD-HXUWFJFHSA-N 368.477 4.026 0 40 FIAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2[nH]cnc2c1 9657594 HMGAGDMOACQAAG-UHFFFAOYSA-N 359.414 4.420 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2Cc2ccccc2)c1 9994325 PKGRBLXLAKOHDL-UHFFFAOYSA-N 370.452 4.422 0 40 FIAB O=C(CCc1ccccc1O)Nc1ccc(-n2cnc3ccccc32)cc1 10428114 YRACITWJKMDKGY-UHFFFAOYSA-N 357.413 4.302 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Cl)cc1 10903163 VSBJCGBPEZMJAX-UHFFFAOYSA-N 353.853 4.132 0 40 FIAB O=C(NCC1(c2ccccc2)CCC1)c1ccc(NC(=O)c2ccco2)cc1 11193738 TWILTYULWXCEPJ-UHFFFAOYSA-N 374.440 4.384 0 40 FIAB Cc1cc(C(=O)N2CCCCC[C@H]2c2cc(-c3cccs3)on2)on1 12185252 YWSUSVIRZPIUJR-AWEZNQCLSA-N 357.435 4.457 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2cccnc2)cc1)c1ccccc1 12540824 LCJTZYVHXNKUKD-OAQYLSRUSA-N 371.440 4.311 0 40 FIAB O=C1N/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1 12628129 VFXCEENRTLLERY-LDADJPATSA-N 362.360 4.179 0 40 FIAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1F 12941287 KYNGVXQGEVKTTA-OAQYLSRUSA-N 366.461 4.473 0 40 FIAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)ccc1OC)O[C@@H](C)C2 12975557 ANFNYVDEVJZBPX-NSHDSACASA-N 361.825 4.323 0 40 FIAB CCCn1c(=O)n(CCC(=O)Nc2cccc(Cl)c2C)c2ccccc21 12993485 KFTSXEPHTGYUNX-UHFFFAOYSA-N 371.868 4.204 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)cc1OC 12997976 OJQCBELWJSIEGR-LJQANCHMSA-N 362.429 4.229 0 40 FIAB c1nc(NCC2(c3ccc4c(c3)OCCO4)CCCC2)c2sccc2n1 14075311 WOUZFOOHDCMUHH-UHFFFAOYSA-N 367.474 4.386 0 40 FIAB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc(F)cc1 14086014 HBLMRMDXBVKJRX-LBPRGKRZSA-N 362.474 4.186 0 40 FIAB CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)c2nc3ccccc3nc21 14168907 IATPOHUWQAGLEM-UHFFFAOYSA-N 360.461 4.024 0 40 FIAB CCn1c(Sc2ncnc3sccc23)nnc1-c1ccccc1C 14242682 QRGKITZENWPPHS-UHFFFAOYSA-N 353.476 4.429 0 40 FIAB CCC(CC)c1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1 14711541 REXUGUOYAKVNEE-UHFFFAOYSA-N 358.471 4.020 0 40 FIAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(Cl)c(Cl)c1 16968882 QWDYCYJSWXDKTI-UHFFFAOYSA-N 364.272 4.472 0 40 FIAB CC(C)c1cccc(N2C[C@@H](C(=O)N[C@H](C)c3cccs3)CC2=O)c1 23016402 NHHLHTJKNONAOC-ZBFHGGJFSA-N 356.491 4.102 0 40 FIAB CCCCc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 23364599 NONRAAWRDJURLO-UHFFFAOYSA-N 362.842 4.441 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1ccccn1)CC2 24527882 YUHITFBGTPCOJE-OAQYLSRUSA-N 366.486 4.308 0 40 FIAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)c(C)n1CC(F)(F)F 25030051 GATPDGZUZIXUBW-UHFFFAOYSA-N 368.355 4.081 0 40 FIAB CCCc1noc(CSc2nnc(Nc3ccccc3F)s2)n1 25053627 GCOFDHLAGPWLQJ-UHFFFAOYSA-N 351.432 4.049 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2F)c1)c1cccc(C(F)(F)F)c1 28228872 BMCTVCDDSLFKLS-UHFFFAOYSA-N 363.314 4.342 0 40 FIAB CC(C)C[C@@H](NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1 30849134 GBRGMEZMCWIULG-JOCHJYFZSA-N 366.505 4.036 0 40 FIAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)[C@@H]1C[C@H]1c1ccccc1 32610600 JIUNWDOLXSHIIR-DLBZAZTESA-N 369.827 4.466 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1noc(-c2cccc3ccccc23)n1 32623935 VZVAUTDYYQAPJU-UHFFFAOYSA-N 363.348 4.046 0 40 FIAB Cc1ccnc(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c1 32721858 VXTTUBIJDPORGR-UHFFFAOYSA-N 352.415 4.142 0 40 FIAB Cc1ccc2nc(NC(=O)Cc3c(C)nn(CC(C)C)c3C)sc2c1 32768118 OAAOXAAKAGGFIL-UHFFFAOYSA-N 356.495 4.255 0 40 FIAB O=C([C@H]1CC=CCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 32975602 SGTZLDBCKVOVOJ-QFIPXVFZSA-N 360.501 4.277 0 40 FIAB CC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1ccc(C)cc1 35671541 WVRIUPKIMJVVMO-UHFFFAOYSA-N 351.431 4.329 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N)cc1Br 37274606 VWLSWLYIFICLPJ-UHFFFAOYSA-N 369.646 4.011 0 40 FIAB CCOc1ccc(CN(CC)C(=O)c2ccc(C(C)=O)s2)cc1OC 39995587 HUDARFWPHLJAEI-UHFFFAOYSA-N 361.463 4.020 0 40 FIAB CC(C)[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 40157399 FVVOHDUCXHXZJA-SFHVURJKSA-N 373.403 4.220 0 40 FIAB COc1ccc2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 40379585 LUWPTZQNYSSOGP-UHFFFAOYSA-N 352.386 4.105 0 40 FIAB Cc1ccc(Cn2ccc3c(cnc4c(-c5ccccc5)cnn43)c2=O)cc1 40387664 CDSRJSKBMUESKR-UHFFFAOYSA-N 366.424 4.068 0 40 FIAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc(N2CCOC2=O)cc1 42940584 GGPVPXWIUBVDJY-SFHVURJKSA-N 370.474 4.366 0 40 FIAB O=C(Nc1nnc(-c2ccccn2)s1)N1CCC[C@H]1c1ccsc1 47791083 GKAMKIXBVWQPGF-ZDUSSCGKSA-N 357.464 4.031 0 40 FIAB Cc1cc(C)c2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 48375351 COIUWAHZAKFLEE-UHFFFAOYSA-N 361.239 4.412 0 40 FIAB Cc1c(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)oc2c1C(=O)CCC2 49640271 DXOXKGXFMJYULK-NRFANRHFSA-N 374.440 4.154 0 40 FIAB Cc1cc(C)cc(C2(C(=O)NCc3nc(-c4ccccc4)no3)CCC2)c1 56674726 AFRZGBVSSRJCEA-UHFFFAOYSA-N 361.445 4.092 0 40 FIAB O=C(CSCc1c(F)cccc1Cl)NCCc1ccc(F)cc1 57684090 AEDUVEDDTUKCHD-UHFFFAOYSA-N 355.837 4.210 0 40 FIAB O=C(NCc1nc(-c2ccsc2)no1)Nc1cc(Cl)cc(Cl)c1 58402273 QPUXFEZUCYQUKC-UHFFFAOYSA-N 369.233 4.427 0 40 FIAB COc1cccc(CC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 61336384 KQAUOXFMRCHNJU-UHFFFAOYSA-N 373.452 4.156 0 40 FIAB Cc1noc(C)c1CNC(=O)Nc1cccc(C2SCCCS2)c1 67544968 ABZQMSBPIRKVOQ-UHFFFAOYSA-N 363.508 4.482 0 40 FIAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccccc1Br 70636049 IOAAPGCEUVLQTQ-GOSISDBHSA-N 370.246 4.066 0 40 FIAB COCCn1ncc2ccc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)cc21 70784125 XIUVQJRLPQEENC-UHFFFAOYSA-N 362.433 4.033 0 40 FIAB COc1cccc(-c2nsc(NC(=O)/C=C/c3ccc(F)cc3)n2)c1 72427761 JBRCMBLCHXHINC-JXMROGBWSA-N 355.394 4.005 0 40 FIAB Cc1ccc(CSCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 73955728 GSOGXCVFNVHDJY-UHFFFAOYSA-N 369.530 4.093 0 40 FIAB CC(C)(C)Cc1cc(NC(=O)c2cnn(-c3ccccc3Cl)c2)[nH]n1 76022893 IUPPOQWFUYWHQR-UHFFFAOYSA-N 357.845 4.090 0 40 FIAB COc1ccc2cc(NC(=O)c3ccc(Nc4ncccn4)cc3)cnc2c1 79501178 RTYKOMXBVHTABU-UHFFFAOYSA-N 371.400 4.029 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 80332679 ICWMCNOEYYKCHE-FOIQADDNSA-N 374.481 4.025 0 40 FIAB Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1CN(Cc3ccsc3)C[C@H]21 96145670 HPZMCJYEFCQMPE-WBVHZDCISA-N 353.466 4.059 0 40 FIAB O=C(NCc1cccs1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96154294 HVPQTKGADRPDBT-UHFFFAOYSA-N 365.414 4.352 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cc(Br)ccc12 98213821 JRWICQSWXZQPIZ-UHFFFAOYSA-N 367.287 4.143 0 40 FIAB O=C1C[C@H](c2c[nH]c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1 100917420 NRKAFBFGDDEYJC-CQSZACIVSA-N 358.319 4.234 0 40 FIAB COc1ccccc1-c1cc(C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)no1 101309897 OCWHEDUXYHWTKR-SZNDQCEHSA-N 354.450 4.391 0 40 FIAB CC1=NN(c2ccccc2)C(=N)/C1=N/Nc1ccccc1Br 111912400 BWMFXBODDGVBKP-ALKJHRAUSA-N 356.227 4.090 0 40 FIAB CC[C@H](NC(=O)CSc1ccc(OC)c(OC)c1)c1ccc(C)cc1 216235481 DOOSGJOFGWTYAZ-KRWDZBQOSA-N 359.491 4.372 0 40 FIAB COC(=O)c1cn(C(=O)COc2cccc3ccccc23)c2ccccc12 222611058 XALZWOCQBGGFFO-UHFFFAOYSA-N 359.381 4.300 0 40 FIAB C[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc2c(c1)OCCO2 222734092 RNHBBWAQNKOLRZ-HNNXBMFYSA-N 369.461 4.012 0 40 FIAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 222757099 UKQNQLJCNVRHGM-MSOLQXFVSA-N 353.422 4.083 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 222822500 XLTGGKGVZSFPBF-CYBMUJFWSA-N 365.524 4.309 0 40 FIAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)c1 224518259 KHSJHZJXKMYXKG-MSOLQXFVSA-N 367.499 4.329 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(CN3CCCC3)c2)cc1 224592092 FACZTIVZLOJTRL-SFHVURJKSA-N 368.546 4.388 0 40 FIAB CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(Br)cc1 224723339 BDFPAOPVMWEYKM-UHFFFAOYSA-N 368.296 4.281 0 40 FIAB Cc1cc(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C 225651314 ZIRSRIGBKZQKHO-UHFFFAOYSA-N 352.478 4.337 0 40 FIAB O=C(c1ccc(Cl)c(Cl)c1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225676454 SGZDGQBDOYMJGS-ZDUSSCGKSA-N 364.228 4.352 0 40 FIAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225841989 JJUBRNPQWOTYCJ-FQEVSTJZSA-N 365.470 4.184 0 40 FIAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccc(C)cc1 226338048 BZMOYLCKLFQRNU-BQYQJAHWSA-N 371.824 4.372 0 40 FIAB COC[C@H](C)Oc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1Cl 260818237 YPIWGANFFSXICF-NJSLBKSFSA-N 369.889 4.288 0 40 FIAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 408701733 DUAZQJOJTSATET-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB O=C(O)c1conc1[C@@H](O[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1 504028132 AWNLIDOSPILLRX-HIFRSBDPSA-N 371.311 4.024 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)Nc2ncc(OC)s2)cc1 520382369 BWUCSSNWXFAVDJ-HNNXBMFYSA-N 361.467 4.310 0 40 FIAB Cn1cc(-c2ccc(CNC(=O)c3ccc(-c4cccs4)cc3)cn2)cn1 575617618 YEOWJUVCBPLGLU-UHFFFAOYSA-N 374.469 4.141 0 40 FIAB O=C(c1ncccc1Oc1ccccc1)N1CCC[C@H](c2ccncc2)C1 647703664 CCYHQRLJWHEBIW-SFHVURJKSA-N 359.429 4.289 0 40 FIAB c1csc(-c2nnc([C@H]3COCCN3Cc3ccccc3C3CC3)o2)c1 685437624 DWZCQXGSBQBBJK-QGZVFWFLSA-N 367.474 4.249 0 40 FIAB Cn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc21 1124748339 UDXMYONYTCQWHL-UHFFFAOYSA-N 357.413 4.405 0 40 FIAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCC(C)CC1 2497024 RRWOMRVCKSUELS-PHDXLQKJSA-N 350.547 4.039 0 40 FIAB CC(C)OC(=O)c1c(NC(=O)c2cccnc2)sc2c1CC[C@@H](C)C2 2736460 RCHCPQWQPSEPTL-GFCCVEGCSA-N 358.463 4.085 0 40 FIAB O=C(Nc1ncn(Cc2c(F)cccc2Cl)n1)c1ccccc1Cl 2794497 XZUWCEVJZQINNI-UHFFFAOYSA-N 365.195 4.025 0 40 FIAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CSc1ccccc1 3073629 PLICQOPKBLUEOF-UHFFFAOYSA-N 354.431 4.075 0 40 FIAB COC(=O)c1ccc(COC(=O)c2ccccc2Oc2ccccc2)o1 3380151 HSPYIRBSYYMQAO-UHFFFAOYSA-N 352.342 4.216 0 40 FIAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)CC1=O 3548940 XSVJYDYYHZKAHL-AWEZNQCLSA-N 372.852 4.039 0 40 FIAB Cc1nc(SCC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1 4241173 WPUBZIOSUJVJFA-HNNXBMFYSA-N 365.502 4.168 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 4741586 DAWULVHIANAVMG-HXUWFJFHSA-N 361.445 4.451 0 40 FIAB COc1ccc(C(=O)Nc2cccc3ncccc23)cc1Br 4776782 GUHBDHPYXGIMNK-UHFFFAOYSA-N 357.207 4.258 0 40 FIAB CC1CCN([C@H](c2ccc(Cl)cc2)c2nnnn2C2CCCC2)CC1 4847718 GLPVJQJNZOKJMK-GOSISDBHSA-N 359.905 4.263 0 40 FIAB Cc1cc2cc(C)c(NCCNC(=O)c3ccccc3F)nc2cc1C 4848613 BRURSMIGAXNAKB-UHFFFAOYSA-N 351.425 4.141 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)c(C)c2O)[nH]n1 5343661 OYDKSMKVACJCNF-UHFFFAOYSA-N 371.824 4.313 0 40 FIAB CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)CCc2ccccc2)cc1 5381672 MCGRZWGYTDQILX-GOSISDBHSA-N 367.489 4.238 0 40 FIAB Cc1ccc(C)c2c1[nH]c1nc(SCC(=O)c3ccc(F)cc3)nnc12 5489319 DQYPWHLGJDKSCZ-UHFFFAOYSA-N 366.421 4.237 0 40 FIAB COc1ccc(NC(=O)COc2cccc(Br)c2)cc1Cl 5745109 QDNPLMHPBGXFPS-UHFFFAOYSA-N 370.630 4.129 0 40 FIAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 5745380 ACHMKNYOYOLVSM-QFIPXVFZSA-N 370.452 4.292 0 40 FIAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6084302 VOUVUZLUSKPYJB-OAQYLSRUSA-N 354.425 4.090 0 40 FIAB Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1-c1ccccc1 6110349 PPGRBQPKVRPHDB-UHFFFAOYSA-N 374.469 4.460 0 40 FIAB Cc1ccc(NC(=O)CCN2C(=O)CSc3ccccc32)c(Cl)c1 6789121 VJHIIFAKHAWMEH-UHFFFAOYSA-N 360.866 4.116 0 40 FIAB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@H]21 6951554 DIBVSOIFJIIAGA-LXIYXOSZSA-N 366.373 4.128 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(OC)c2c(c1)OCCO2 7667426 IHOFUWQWTWQVSR-UHFFFAOYSA-N 371.433 4.025 0 40 FIAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O 7928118 MXEFQMNVNAWMJA-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCC(=O)c1ccc(F)c(F)c1 7985698 UMGJODHLDBKSCW-FPYGCLRLSA-N 370.273 4.423 0 40 FIAB O=C(c1cncc(Br)c1)N(Cc1ccccc1)Cc1ccco1 8395579 MDXBVNSEBOYRMA-UHFFFAOYSA-N 371.234 4.280 0 40 FIAB Cc1cc(C(=O)Nc2nnc(Cc3ccccc3)s2)c2ccccc2n1 8775756 TVIVGFBFDDGZKA-UHFFFAOYSA-N 360.442 4.238 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(F)cc2)cc1 9515922 AIFFUIIWSUSBOK-UHFFFAOYSA-N 356.426 4.084 0 40 FIAB Cc1ccc2c(CC(=O)NCc3ccccc3CN3CCCC3)coc2c1 9835301 FWFOEBFJIATSDB-UHFFFAOYSA-N 362.473 4.196 0 40 FIAB Cc1cc2oc(=O)cc(COC(=O)Cc3ccccc3F)c2cc1Cl 9868476 MUVNNXOQWXNOBT-UHFFFAOYSA-N 360.768 4.180 0 40 FIAB COc1ccccc1Nc1ncc2c(n1)C[C@H](c1cccc(C)c1)CC2=O 9939253 DHJMKEGHFIFNHA-INIZCTEOSA-N 359.429 4.450 0 40 FIAB O=C(c1ccc(O)cc1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 10464559 OQAJETYXIUIDOE-UHFFFAOYSA-N 358.825 4.172 0 40 FIAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1Cl 10763728 DNOVJRJWVKRHAL-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB CSc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 12038198 CVHQMFSVVDCZBG-UHFFFAOYSA-N 374.531 4.336 0 40 FIAB COc1ccc(-c2cc(NC(=O)c3ccc4oc(C)cc4c3)n(C)n2)cc1 12200924 YNVHAVZGKCUTSB-UHFFFAOYSA-N 361.401 4.403 0 40 FIAB Cc1cc(NC(=O)CN[C@@H](C)c2ccccc2Cl)n(-c2ccccc2)n1 12865945 IZAYDDSEIRIQCW-HNNXBMFYSA-N 368.868 4.123 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(C)c(F)c1 12891098 MBPZUJXDNCHZQP-UHFFFAOYSA-N 373.424 4.236 0 40 FIAB COC(=O)c1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)c(F)cc1F 12900404 GNAWGUGWLLSBQJ-UHFFFAOYSA-N 365.763 4.075 0 40 FIAB O=C(NC1CCCCC1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 13015443 CCYLSOVSXHVJRI-UHFFFAOYSA-N 355.335 4.093 0 40 FIAB COC(=O)c1c(NC(=O)CCc2ccc(C)cc2)sc2c1CCCC2 13608606 VVSMANAMLMYWGE-UHFFFAOYSA-N 357.475 4.293 0 40 FIAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)N1CCCC1 13995786 BCQCGVIUEQASOH-VAWYXSNFSA-N 354.837 4.228 0 40 FIAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c1CCC2 14137263 FPGRXUKCGTWGIR-UHFFFAOYSA-N 367.396 4.023 0 40 FIAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 14234622 DZPPVMDLGAIWSE-SNVBAGLBSA-N 372.466 4.293 0 40 FIAB COc1ccc(-c2csc3ncnc(NCCCn4ccnc4)c23)cc1 15206485 XNQNNPRQJRUOAG-UHFFFAOYSA-N 365.462 4.066 0 40 FIAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccccc1F 16085635 UUOZJNWBZXYILL-UHFFFAOYSA-N 356.465 4.072 0 40 FIAB COc1ccc(OC)c(CN[C@H](Cc2ccsc2)c2nccs2)c1 19551713 CNXQLFFLZJWZPT-MRXNPFEDSA-N 360.504 4.295 0 40 FIAB CN(Cc1cccc(F)c1)C1CCC2(CC1)CNCc1ccccc1O2 19586456 MTUFSCCWKITHFW-UHFFFAOYSA-N 354.469 4.121 0 40 FIAB CCCc1nnc(SCc2nnc(-c3ccccc3Cl)o2)n1CC 20034043 OGACRYLNCFSEPC-UHFFFAOYSA-N 363.874 4.246 0 40 FIAB O=C(Cn1ccc2cc(Br)ccc21)Nc1cccnc1Cl 20733544 MJRRYGDOHXPATP-UHFFFAOYSA-N 364.630 4.091 0 40 FIAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(Br)s1 25169808 NACHDYCZMDKQEM-UHFFFAOYSA-N 362.252 4.008 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(Cl)c1 27978561 CBCQTCNHOQSKMR-CQSZACIVSA-N 351.761 4.004 0 40 FIAB CCCCc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 30851200 ABOFNZXFIGIHSQ-UHFFFAOYSA-N 352.478 4.114 0 40 FIAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 30864934 MQUIXAAKPNHUIZ-UHFFFAOYSA-N 358.290 4.264 0 40 FIAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 30940190 PDHKINVXKXBHCT-GOSISDBHSA-N 370.468 4.464 0 40 FIAB C[C@H](CNC(=O)Cc1csc(Cc2ccccc2)n1)c1ccccc1 31489674 BTOHTLGMEXKCPF-MRXNPFEDSA-N 350.487 4.196 0 40 FIAB Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C)c3C)o2)cc1 32593551 UXTHUWDUCICQQE-UHFFFAOYSA-N 369.442 4.290 0 40 FIAB CN(C)C(=O)c1ccc(NCCOc2ccc(Cl)cc2Cl)cc1 32810878 UUWZVLXRNXWHAI-UHFFFAOYSA-N 353.249 4.186 0 40 FIAB CC(C)c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1 32818773 FGWBZYHWBQWDGK-UHFFFAOYSA-N 360.211 4.361 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3c3cccs3)cc2NC1=O 32988651 BXPFNYWCUMUPPQ-SMDDNHRTSA-N 358.488 4.158 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(F)c(Cl)c2)cc1 36354215 IJDCHSKTAOHTNA-UHFFFAOYSA-N 363.801 4.259 0 40 FIAB COc1ccc(F)c(CN(CCCn2ccnc2)Cc2ccc(C)o2)c1 36740282 KAKXVKDJZUGWQD-UHFFFAOYSA-N 357.429 4.025 0 40 FIAB CCC[C@@H](NC(=O)NCc1nc2ccccc2n1CC)c1ccccc1 40068824 JPZHHJGGXYGPRZ-QGZVFWFLSA-N 350.466 4.397 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccccc2CN2CCCC2)cc1 40090885 NTQKXBFKMNHMHP-UHFFFAOYSA-N 352.478 4.423 0 40 FIAB Cc1noc(-c2ccc(C(=O)NCCOc3cccc4ccccc34)cc2)n1 40155999 ODCWXQCGMRGPLO-UHFFFAOYSA-N 373.412 4.007 0 40 FIAB CC(C)(C)C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 44894062 GZXCSLKOSZXNQB-FQEVSTJZSA-N 358.445 4.354 0 40 FIAB Clc1ccc(Br)cc1NCc1nc(-c2ccco2)no1 66826267 RWHVNBZYIVQBNT-UHFFFAOYSA-N 354.591 4.358 0 40 FIAB CC(C)c1ccc(NC(=O)COc2cc(C(=O)O)nc3ccccc23)cc1 67341759 MIMMIFJJLRIFDE-UHFFFAOYSA-N 364.401 4.074 0 40 FIAB Cn1ccnc1C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 72303160 DMRAFDRYOXIURS-MRXNPFEDSA-N 374.271 4.441 0 40 FIAB Cc1cc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2C(C)(C)C)on1 72341130 RNWJHYYHCLVBSG-UHFFFAOYSA-N 366.421 4.078 0 40 FIAB O=C(c1ccc(Cl)cc1F)N1CC[C@H](OCCCc2ccccc2)C1 75106085 SKTREYBIAZMBJM-KRWDZBQOSA-N 361.844 4.343 0 40 FIAB O=C(CC/C=C/c1ccccc1)Nc1ccc(N2C(=O)CCCC2=O)cc1 78067922 PSZVTDNHEWPSDQ-RUDMXATFSA-N 362.429 4.162 0 40 FIAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccn2)cc1 79493738 OFZLTRXWHALDEW-SFHVURJKSA-N 366.446 4.009 0 40 FIAB Cc1nc(CC(C)C)sc1C(=O)NCc1cccc(OC(F)F)c1 95946637 PPTLERAUVYMLFI-UHFFFAOYSA-N 354.422 4.181 0 40 FIAB CCC[C@H](CC1CCCC1)C(=O)N1CCC(C(=O)Nc2ccccn2)CC1 95959090 UPHUZJHMDCFNGY-LJQANCHMSA-N 371.525 4.255 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1[nH]c1ccc(F)cc21 96117108 JVHJGMOEQORZNW-SFHVURJKSA-N 355.413 4.038 0 40 FIAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NC5CC5)cc34)co2)cc1 96154302 YJSSBXMHJRFPLV-UHFFFAOYSA-N 359.385 4.350 0 40 FIAB O=C(Nc1ccccc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 103504223 XGQJJHMAEVRMPC-FMWKFLBASA-N 351.494 4.114 0 40 FIAB biogenic C[C@@H]1[C@@H](NC(=O)COc2cccc(Oc3ccccn3)c2)CCC[C@H]1C 107087075 WECMXBNJQVVRGC-GJYPPUQNSA-N 354.450 4.194 0 40 FIAB O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCc2ccccc21 216369783 CCYAEBJVLQHGPA-UHFFFAOYSA-N 354.453 4.452 0 40 FIAB COc1cccc(O[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 219306403 VKDTWKZDSIVVEH-DNVCBOLYSA-N 369.461 4.190 0 40 FIAB Cn1cccc1CN(C(=O)c1ccc2nc(Cl)n(C)c2c1)C1CCCC1 222555614 OJAGWHYDPVLYKI-UHFFFAOYSA-N 370.884 4.150 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCc1cccc(OC)c1 222964576 PBCLUGWURRVHDF-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 223404569 RFQJHEXVKXTIPX-HNNXBMFYSA-N 357.410 4.140 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccccc1C(C)C 223794940 DOYYUJNVYMXXSY-GOSISDBHSA-N 371.477 4.171 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(C)cc1C 224445701 ZDSVTZOHHRBBIZ-SFHVURJKSA-N 361.869 4.309 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1Cl 224991375 OQGBCAIMEFHSIR-UHFFFAOYSA-N 368.260 4.346 0 40 FIAB COC(=O)c1cc(NC(=S)N[C@@H]2CCCc3ccccc32)ccc1Cl 225460677 MYNFBEFOMJZADI-QGZVFWFLSA-N 374.893 4.491 0 40 FIAB CCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225876279 KMMOCTPQZYEMOK-UHFFFAOYSA-N 374.868 4.129 0 40 FIAB COc1cccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)c1 226272186 PUVYXHWPJFZKGK-UHFFFAOYSA-N 350.296 4.313 0 40 FIAB Cc1cc(C)c2c(O)c([C@H](CC(=O)O)c3ccccc3)c(=O)oc2c1C 226761887 CZVZISQBYDQXEH-OAHLLOKOSA-N 352.386 4.030 0 40 FIAB CCSc1ccccc1C(=O)NCC1CCN(c2ccnc(C)c2)CC1 244970306 HSJIYUNBMGEYMP-UHFFFAOYSA-N 369.534 4.148 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@@]31C2 257271693 MZKDUFWSYKRGKG-COGQAXKNSA-N 363.448 4.373 0 40 FIAB CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1cccc(Cl)c1Cl 299857320 MWQLCEBZYXHOAC-ZDUSSCGKSA-N 359.278 4.194 0 40 FIAB CCC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 408547631 KKDDFOQOZJNVRS-MRXNPFEDSA-N 374.506 4.023 0 40 FIAB CCN1CCN(C(=S)c2cccc(OCc3ccccc3Cl)c2)CC1 408572715 HVAGSCSDKXAQDG-UHFFFAOYSA-N 374.937 4.232 0 40 FIAB Cc1cccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1C 409222260 WKNCATVWDJXOGO-XSFVSMFZSA-N 371.440 4.187 0 40 FIAB CCn1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 409393260 PLAMOAFUUOYZNW-JAIQZWGSSA-N 373.481 4.048 0 40 FIAB O=C(CCn1cccc1)Nc1nc2ccc(OC(F)(F)F)cc2s1 524735083 UDXQJCAXXXGLSD-UHFFFAOYSA-N 355.341 4.025 0 40 FIAB O=C(N1CC[C@H](n2cnc3ccccc32)C1)C1(c2cccs2)CCCC1 575617335 NXAFFNSMLNYFRI-INIZCTEOSA-N 365.502 4.383 0 40 FIAB FC(F)(F)c1cccc(Cc2noc(C3CCN(C4CC4)CC3)n2)c1 585084038 YOPXCGLUROHUBR-UHFFFAOYSA-N 351.372 4.021 0 40 FIAB Oc1cccc(-c2nc(O)c3c(-c4ccc(Cl)cc4)csc3n2)n1 1776002846 HONLTVVTUCAMKZ-UHFFFAOYSA-N 355.806 4.485 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Br)c1OC 667535 KPFNCQBDQIVSJG-UHFFFAOYSA-N 368.202 4.248 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)c1C 1087737 GIHXOKABUZJKSH-KRWDZBQOSA-N 350.462 4.418 0 40 FIAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCCCCC1 1094048 SRAJPQYPNKDMRM-UHFFFAOYSA-N 372.490 4.016 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1 1359465 NMVCWAXDNJPMHX-UHFFFAOYSA-N 373.865 4.471 0 40 FIAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)c3ccccc3C)C3CC3)cc2c1 1364778 LGZYZAJIBJLIPY-UHFFFAOYSA-N 360.457 4.258 0 40 FIAB CC(=O)Oc1ccc(C(=C2CCOCC2)c2ccc(OC(C)=O)cc2)cc1 1719868 BRCLEEANFVWTGU-UHFFFAOYSA-N 366.413 4.150 0 40 FIAB CSc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 2725255 OLPICJQSKKKXBK-UHFFFAOYSA-N 370.352 4.218 0 40 FIAB O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1 2755573 PYGFRBBCEZDWEQ-UHFFFAOYSA-N 359.259 4.404 0 40 FIAB COc1ccccc1Nc1ccccc1C(=O)Nc1ccccc1C(=O)O 3204938 RCDZJKWXBJTOEZ-UHFFFAOYSA-N 362.385 4.389 0 40 FIAB O=C(CSc1ncnc2ccccc12)Nc1ncc(Cl)cc1Cl 3252964 LXAOSUOSIOOKHR-UHFFFAOYSA-N 365.245 4.062 0 40 FIAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)c1 3893222 WOQXHJZHBYSACZ-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB CCSc1cccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)c1 4585790 QKSIBAJOUCETQV-UHFFFAOYSA-N 355.419 4.110 0 40 FIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NC1CCCCCC1 5146671 DHARSTUPYYBFEI-UHFFFAOYSA-N 353.491 4.444 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3F)CC2=O)c1C 5688072 AUCKGNARDZDHAM-CYBMUJFWSA-N 360.816 4.088 0 40 FIAB O=C(CSc1ncnc2ccccc12)NCC12CC3CC(CC(C3)C1)C2 5937301 JKOWWWJLKWZUOV-UHFFFAOYSA-N 367.518 4.055 0 40 FIAB Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)n1 6508040 ACNZAIAXILAKFM-UHFFFAOYSA-N 368.487 4.472 0 40 FIAB COc1ccc([C@H](CNC(=O)c2sccc2C)N2CCCCC2)cc1 6640050 JSGKIAHSSUYVIK-SFHVURJKSA-N 358.507 4.022 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2cc(C)ccc2C)n1 6811711 KHYWPDZFNOTGEN-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)/C=C/c1nc2ccccc2o1 7156877 BEFOCDUFGNLIAS-GETOMWPZSA-N 374.396 4.445 0 40 FIAB Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)n1C 7236444 SVAJQWCCMLXDHO-UHFFFAOYSA-N 367.474 4.237 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCCO2 7481364 UNZXNCYEDAJEJT-UHFFFAOYSA-N 353.201 4.416 0 40 FIAB CC(C)N(C(=O)CSc1nc(-c2ccccc2)n[nH]1)C1CCCCC1 7733284 KDANWRZYRPIRJU-UHFFFAOYSA-N 358.511 4.134 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc(Cl)nc1)c1ccc2c(c1)OCCCO2 7985820 IUSJPGCDONVIDL-SFHVURJKSA-N 360.841 4.023 0 40 FIAB CN(CCOc1ccccc1)C(=O)c1ccc(C(=O)c2ccccc2)cc1 9454641 BHFKJUHVUIZSSD-UHFFFAOYSA-N 359.425 4.069 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc(F)ccc2s1 9834197 DUYVQNSZHDITHU-UHFFFAOYSA-N 356.422 4.129 0 40 FIAB CNc1ccccc1C(=O)O[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 9885015 VVMSTNPHDHEBAZ-SNVBAGLBSA-N 367.232 4.219 0 40 FIAB COc1ccc2cc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)ccc2c1 9939684 LNCWCGRVSYHYJP-AWEZNQCLSA-N 353.393 4.071 0 40 FIAB CCCc1ccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 9954626 PHNPBNMBPNISRB-UHFFFAOYSA-N 358.492 4.260 0 40 FIAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(Cl)cc1 10770493 ZINQWQXWAZTBAF-LBPRGKRZSA-N 357.841 4.128 0 40 FIAB Cc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)c2c(C)noc2n1 11076078 LMMIRKLCWJGVOS-UHFFFAOYSA-N 372.428 4.250 0 40 FIAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1c1ncnc2ccccc12 11247417 ATGQBIBWWFWRLL-KRWDZBQOSA-N 370.815 4.030 0 40 FIAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1cc(C2CC2)nc2ccccc12 12297048 DYLSVCHEFVUGFZ-HTAPYJJXSA-N 363.505 4.107 0 40 FIAB biogenic COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@@H]1c1ccsc1 12551874 IWGXSNABIZGMNB-QGZVFWFLSA-N 372.515 4.248 0 40 FIAB CCCn1c(SCc2nc(C)no2)nc2ccc(C(F)(F)F)cc21 12730264 DSZGPTOTUAFAQL-UHFFFAOYSA-N 356.373 4.449 0 40 FIAB CC(C)c1noc(CSc2nc(C(F)(F)F)nc3ccccc23)n1 12819756 GAJRODVBLQLQHP-UHFFFAOYSA-N 354.357 4.447 0 40 FIAB Cc1ccc(OCCN(C)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 12853943 OCXDEJCXIYFXMB-UHFFFAOYSA-N 351.446 4.229 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684899 INAHXXPGJCLPPI-UHFFFAOYSA-N 370.518 4.479 0 40 FIAB CC(=O)c1ccccc1NC(=O)c1cccc(OCc2csc(C)n2)c1 14094800 RTCGRJHYFWDSOZ-UHFFFAOYSA-N 366.442 4.485 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)cc1C 14205654 YGXOLRXNDIAXCI-UHFFFAOYSA-N 359.369 4.045 0 40 FIAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc(F)c3)cc2C1=O 14427626 AMQFPBPPAUTPSF-UHFFFAOYSA-N 374.371 4.187 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1C 15529232 MHQHLTVQYAMRMU-UHFFFAOYSA-N 372.490 4.233 0 40 FIAB Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 15882955 WBCKQVLYNZTQOP-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 16780509 JHNQUCYFQCDYMY-HXUWFJFHSA-N 358.441 4.452 0 40 FIAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(Br)cc1 20138269 XSTYHFJUFYKYFS-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1 20483252 BYZITQDIKCKGOQ-OAHLLOKOSA-N 352.203 4.384 0 40 FIAB O=C(CCc1ccccc1O)Nc1ccc2c(c1)OC1(CCCCC1)O2 21205792 HITGGLPCFAVZLL-UHFFFAOYSA-N 353.418 4.395 0 40 FIAB CCn1cc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2ccccc21 22234411 PTMYYYSVOFWHMD-UHFFFAOYSA-N 360.335 4.293 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)c1 22459686 FENWDWLDTXHQOF-UHFFFAOYSA-N 372.384 4.060 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 22529904 YAPICHCIAWJGGD-LBPRGKRZSA-N 361.825 4.095 0 40 FIAB C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)c1ccc(Cl)cc1 25108448 BRNFPTXOWUWUQX-MGPLVRAMSA-N 365.212 4.112 0 40 FIAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 26638707 IKICCTPFZORYIO-CYBMUJFWSA-N 356.372 4.430 0 40 FIAB Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)[C@@H](Br)CC3)cc1 26919681 UMKJGTHIYYFKJS-LBPRGKRZSA-N 362.223 4.041 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c2cccnc12 28402906 RVMGNELIEQZAKA-ZDUSSCGKSA-N 354.381 4.179 0 40 FIAB Cc1nc(-c2ccc(NC(=O)c3cc(-c4ccco4)[nH]n3)cc2)cs1 28483071 BJVNSADOZFBCFB-UHFFFAOYSA-N 350.403 4.354 0 40 FIAB CCOc1ccccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 28683172 ZYDZAVAGJKKDHN-CQSZACIVSA-N 359.495 4.026 0 40 FIAB O=C(CCSc1ccccc1)NCc1ccccc1CN1CCCCC1 30551622 KMDYPKQYNWCAGS-UHFFFAOYSA-N 368.546 4.471 0 40 FIAB CCc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccccc3F)sc2n1 30898822 ZVSJAJJBMCGJRR-UHFFFAOYSA-N 357.454 4.282 0 40 FIAB COc1ccc(NC(=O)CCc2ccccc2)cc1OCc1ccncc1 32832261 IXCWWQSIWXCQKQ-UHFFFAOYSA-N 362.429 4.241 0 40 FIAB O=C(COc1ccc2c(c1)C(=O)CC2)Nc1nc2ccc(Cl)cc2s1 36708218 NLRPZSYRISSPJW-UHFFFAOYSA-N 372.833 4.096 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1cccc(Cl)c1F 36873746 FPKIVNCJJOFZGI-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 38858307 SUFGWLDYWBHGEP-SFHVURJKSA-N 370.880 4.393 0 40 FIAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 39757681 MJZCLCJTESEZJF-UHFFFAOYSA-N 373.294 4.300 0 40 FIAB O=C(NCCOc1cccc(Cl)c1)c1ccc(F)cc1Br 40108403 FWCDAOUZOJADCV-UHFFFAOYSA-N 372.621 4.050 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1OC 40142573 IPXHLHZNSVZQIE-UGAXZCSASA-N 369.461 4.448 0 40 FIAB CC(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)CC1 45462373 YEYUWVGLDXDVBT-INIZCTEOSA-N 357.498 4.256 0 40 FIAB NNc1nc2c(Cl)cc(NC(=O)c3ccccc3)c(Cl)c2s1 45891531 NUBQZXFFMMDGJW-UHFFFAOYSA-N 353.234 4.141 0 40 FIAB O=C(Nc1cccc(Cn2ccnc2)c1)N1CCC[C@H]1c1ccsc1 48277960 YDUXPRLZCKZZSG-SFHVURJKSA-N 352.463 4.362 0 40 FIAB CCOCc1ccc(CNC(=O)Nc2ccc(OC(F)F)cc2)cc1 48332573 RVARNRYJXSVVSC-UHFFFAOYSA-N 350.365 4.146 0 40 FIAB C[C@@H](c1ccccc1)n1cnnc1S[C@H](C)C(=O)Nc1cccc(F)c1 48355504 CWSAALPZSFTAHD-UONOGXRCSA-N 370.453 4.146 0 40 FIAB CN(C(=O)CSc1nnc(-c2cccs2)o1)c1cccc(Cl)c1 51319206 NUIIAGKGRPQOJH-UHFFFAOYSA-N 365.867 4.207 0 40 FIAB CCOc1nn(Cc2ccc(C(=O)Nc3ccccc3)cc2)c(=S)s1 58102769 XQRGTCVDIFMBHD-UHFFFAOYSA-N 371.487 4.373 0 40 FIAB CC(C)COc1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1Cl 58159155 NUILVVUFNYKJKO-UHFFFAOYSA-N 357.841 4.432 0 40 FIAB C[C@@H](OCc1ccccc1)C(=O)NCc1ccc(-c2ccccc2F)o1 60276910 QNCCWYVXNNIASX-OAHLLOKOSA-N 353.393 4.307 0 40 FIAB Cc1[nH]c(C(=O)N2CCC[C@H]2c2ccsc2)c(C)c1C(=O)OC(C)C 60674404 IMKHEDHIODTQQT-HNNXBMFYSA-N 360.479 4.236 0 40 FIAB CC(C)Nc1ccc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)cn1 72311871 BEZOSPISUQWYEX-UHFFFAOYSA-N 355.457 4.136 0 40 FIAB COc1ccccc1Oc1cncc([C@@H]2CCCN2Cc2ccccn2)n1 72383651 IZCLDPWFIDIBSY-SFHVURJKSA-N 362.433 4.010 0 40 FIAB CCc1cccc(Oc2ccc(NC(=O)Nc3cc(C)n(C)n3)cn2)c1 95460873 KRFJWQMYAHXZMK-UHFFFAOYSA-N 351.410 4.122 0 40 FIAB Cc1nc(C2(N[C@H](C)c3ccc(Br)cc3)CCCC2)no1 95961614 GBXLWHRMRTYXDL-LLVKDONJSA-N 350.260 4.261 0 40 FIAB COC[C@H]1CN(Cc2ccc(C)s2)Cc2cn(CC3CCCC3)nc21 96059993 GADGCXDZAZVWAL-GOSISDBHSA-N 359.539 4.189 0 40 FIAB O=C(Nc1ccccc1)N1CCC2(CN(Cc3cccc(Cl)c3)C2)C1 96070786 DUFOWSOFVSVJRC-UHFFFAOYSA-N 355.869 4.080 0 40 FIAB O=C1[C@@H]2CSCN2[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 107172266 NIZRVLQDVKDPLB-HOTGVXAUSA-N 365.285 4.414 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 208043927 UUUZAJQLEFPBMM-GOSISDBHSA-N 361.532 4.172 0 40 FIAB CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 219957677 GZZUFNHCQSDWMM-SFHVURJKSA-N 355.434 4.126 0 40 FIAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccn1 223521497 PPZQVSLSRBZCFO-SJORKVTESA-N 366.515 4.019 0 40 FIAB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C 224983877 DQTRJAUDZFSGPX-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB CC(C)C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1 225495785 BYGVCCGUPQJZJK-LJQANCHMSA-N 369.534 4.462 0 40 FIAB CCCO[C@]1(C(=O)Nc2ccc(OCCOCC)cc2)CCC[C@@H](C)C1 225664677 CNVNCQZYEJJIOG-DYESRHJHSA-N 363.498 4.416 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225799691 TTZYRHWVGFFPKQ-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB Cc1ccc(C)c(CC(=O)N=c2sc3c(Cl)ccc(C)c3n2C)c1 245015306 LVAMBSDNIRBRFI-UHFFFAOYSA-N 358.894 4.488 0 40 FIAB Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2ccccc2)CC1 257345046 ZZSYENPUYWHRQB-IYARVYRRSA-N 374.488 4.484 0 40 FIAB c1ccc(CN2CC[C@@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cc1 306123630 ASMUXSWGROAPSN-OAQYLSRUSA-N 354.457 4.386 0 40 FIAB CCOP(=O)(OCC)C(F)(F)[C@H](O)c1ccc(Br)cc1 306145625 KXQPKEYQTSDNRZ-LLVKDONJSA-N 373.130 4.341 0 40 FIAB CCOc1ccccc1/C=C1\S[C@@H](Nc2ccc(CC)cc2)NC1=O 408767073 INACTLRIQITIAW-LVSKKATPSA-N 354.475 4.247 0 40 FIAB Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc(C(=O)Nc3ccccc3)nn2)C1 523088110 SDBMSGRZGCIZQS-QZTJIDSGSA-N 372.472 4.420 0 40 FIAB CC(C)c1csc([C@@H]2CCCN([C@H](C(=O)O)c3ccsc3)C2)n1 582850693 CJGLRLPKGONJEN-DOMZBBRYSA-N 350.509 4.333 0 40 FIAB c1cncc(COCC[C@H]2CCOC23CCN(Cc2cccs2)CC3)c1 585105237 RGPQAIKCCSFPHQ-IBGZPJMESA-N 372.534 4.121 0 40 FIAB O=C(N[C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)c1cnn2c1NCCC2 1627354536 MAJYMNDFSKCMEK-FUHWJXTLSA-N 372.900 4.198 0 40 FIAB CC[C@H]1CCc2nc(O)c(C(=O)NCc3cc4ccccc4s3)cc2C1 1641414262 MHCWNRDMKSTSTM-ZDUSSCGKSA-N 366.486 4.447 0 40 FIAB COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1 819409 NTXBDULODNTCKP-UHFFFAOYSA-N 365.458 4.094 0 40 FIAB Cc1ccc(Nc2nnc(-c3cc4ccc(O)cc4oc3=O)s2)cc1 856303 HINMNQYBYPUUFA-UHFFFAOYSA-N 351.387 4.069 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1OC 872109 PLAGUVJNTVPIOG-QFIPXVFZSA-N 374.440 4.471 0 40 FIAB biogenic COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 884380 JQNTYFAEKJWJCM-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB CCOc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O 1509597 DEFNRVMZCXCIRS-PTNGSMBKSA-N 372.218 4.192 0 40 FIAB COc1ccc([C@](O)(CCN2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 1615842 UUCSWCWLOMQFPY-SKPFHBQLSA-N 365.517 4.443 0 40 FIAB CCCc1nc(P(=O)(OCC)OCC)c(NCc2ccccc2)o1 2322792 MMUZBRXBGBLKAI-UHFFFAOYSA-N 352.371 4.131 0 40 FIAB COc1cccc(OC)c1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 2355974 LSQBXDAGGISBOF-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(F)cc2)CC3=O)cc1 2426971 YCKMSMCEBUZODX-CQSZACIVSA-N 363.392 4.281 0 40 FIAB C[C@H]1C[C@H](C)CN(c2ncc3c(n2)C[C@H](c2ccc(F)cc2)CC3=O)C1 2447718 QGMGHNISPWBOCG-DZKIICNBSA-N 353.441 4.011 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2c(OC)cccc2OC)cc1 3309987 WWJITHAYGFVWGB-AWEZNQCLSA-N 371.433 4.013 0 40 FIAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 3396992 AHZOIKVELRGOSO-MRVPVSSYSA-N 373.623 4.226 0 40 FIAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccc3ncsc3c2)c(C)c1 3479246 LSTUYVJXCQYFQX-AWEZNQCLSA-N 368.458 4.406 0 40 FIAB CC[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc(OC(C)C)cc1)c1ccccc1 3624674 MYIWNIXDOMVDLE-UXHICEINSA-N 369.461 4.300 0 40 FIAB CCN(C(=O)C(=O)c1c(C)n(C)c2ccccc12)c1cccc(Cl)c1 4062759 XMPAMIYUKPKZGH-UHFFFAOYSA-N 354.837 4.376 0 40 FIAB C[C@]12C(=O)N(c3ccccc3Cl)C(=O)N1CCc1c2[nH]c2ccccc12 4073661 KTVKZVBJFDGXCT-FQEVSTJZSA-N 365.820 4.061 0 40 FIAB biogenic COc1ccc(-c2nnc(SCc3cc(C(C)=O)ccc3OC)o2)cc1 4470203 KYUWDRSNKSTHKU-UHFFFAOYSA-N 370.430 4.249 0 40 FIAB Cc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1F 4484191 ACERNTSMQINMTF-UHFFFAOYSA-N 358.804 4.237 0 40 FIAB CCc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)cc1 4736706 RVIDYNLQMXRQGR-UHFFFAOYSA-N 371.444 4.223 0 40 FIAB Cc1ccc(-n2c(S[C@@H](C)C(=O)NC3CC3)nc3ccccc32)cc1 4829697 QFJCQPGQIQXODN-AWEZNQCLSA-N 351.475 4.093 0 40 FIAB CCN(CC)C(=O)COc1ccc2oc(-c3ccc(C)cc3)cc(=O)c2c1 5010044 UGUFZRNESLYACD-UHFFFAOYSA-N 365.429 4.016 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1cccn(Cc2ccccc2Cl)c1=O 5269837 OLRDMEZRUKLSKG-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB Cc1ccc(Cn2cccc(C(=O)Nc3cc(Cl)ccc3C)c2=O)cc1 5270189 GHYWZGQCVFWYON-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1 6634785 RQRHDJMPZHKERF-HNNXBMFYSA-N 366.490 4.393 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1SC[C@H]1CCCO1 7922489 DYFQKDLTSNHQAV-CRAIPNDOSA-N 369.486 4.211 0 40 FIAB CCN(CC(=O)NC(C)(C)C)c1ncnc2sc(-c3ccccc3)cc12 7984394 ZPNMONARVWMLBA-UHFFFAOYSA-N 368.506 4.099 0 40 FIAB COc1cc(C(=O)Nc2ccccc2Br)cc(Cl)c1OC 8206723 POROCJCPDVAKEC-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB O=C(c1cnc2ccccc2n1)N1CCC[C@H]1c1nc2ccccc2s1 8311921 LPMSLHYMIQFHRC-KRWDZBQOSA-N 360.442 4.217 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 8335559 UMESIMUVPJTAJK-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1cc(C(=O)CSc2nc(C3CC3)n[nH]2)c(C)n1Cc1cccs1 8924971 WOQWCTAQIRXCAE-UHFFFAOYSA-N 372.519 4.185 0 40 FIAB CC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 9140728 SOJFRXCCQXBJPL-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CNC(C)(C)C 9313926 UMESZIXHOXFEMM-UHFFFAOYSA-N 374.506 4.227 0 40 FIAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccnn1C1CCCC1 9908460 YSIRWDJYFKQLJL-UHFFFAOYSA-N 370.453 4.442 0 40 FIAB CCOC(=O)c1ccoc1CSc1nc(Cc2ccccc2)c(C)[nH]1 9946725 JDMYFQICEIRUDH-UHFFFAOYSA-N 356.447 4.371 0 40 FIAB COc1cccc(-c2nnc3sc([C@H](C)Oc4ccccc4)nn23)c1 10311703 QWDLZEOSLXPMDI-LBPRGKRZSA-N 352.419 4.001 0 40 FIAB Cc1cc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)o2)c(C)o1 11835518 PIMCFWWUFILALR-UHFFFAOYSA-N 350.346 4.200 0 40 FIAB C[C@H]1CCCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 12228293 ZXTPURZDVBCULL-HNNXBMFYSA-N 356.470 4.075 0 40 FIAB Cc1nc2c(SCC(=O)NC(C)(C)C)nnc(-c3ccccc3)c2s1 12232860 MIQMLMUUWWBKKV-UHFFFAOYSA-N 372.519 4.069 0 40 FIAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1 12554743 SPJOMISQSKUXPE-JTQLQIEISA-N 366.248 4.391 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c(F)c1 12799629 FKBUXASQUAYYIM-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB Brc1cccc(-c2noc(CN3CCc4ccccc43)n2)c1 12816667 KDHIARYUPNLKMZ-UHFFFAOYSA-N 356.223 4.062 0 40 FIAB Cn1c(-c2ccccc2)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S 12853380 DABKKJDEPAZYPZ-UHFFFAOYSA-N 368.481 4.379 0 40 FIAB CC(C)N(C(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C)c1ccccc1 12893629 YTOFLVBEANNHPG-AWEZNQCLSA-N 355.409 4.336 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC 13689125 KLDTXRPJUKYHAN-AWEZNQCLSA-N 351.402 4.263 0 40 FIAB O=C(NCCN1CCCCC1)N1c2ccccc2Sc2ccccc21 13717293 KGBAXSJTPZPKIU-UHFFFAOYSA-N 353.491 4.485 0 40 FIAB C[C@@H](N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cccc2ccccc12 14157445 CZDZLNZAPGIGON-JPYJTQIMSA-N 374.484 4.091 0 40 FIAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)CCC)c1C 14405602 LMDRTTQASKGWBC-UHFFFAOYSA-N 356.470 4.291 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1csc(-c2ccc(Cl)cc2)n1 14673098 JSGWHTUJPPNRGB-UHFFFAOYSA-N 358.806 4.445 0 40 FIAB COc1ccccc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 16030695 XUWGLLVNXWTUCC-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB O=C(Nc1ccc(Cl)cc1)n1nc(Cl)c2nc3ccccc3nc21 16545533 GCQOIAYKMKTFFS-UHFFFAOYSA-N 358.188 4.367 0 40 FIAB Cc1ccc(CSCCNC(=O)c2ccc(Br)o2)cc1 18202105 KFOPFLHJKUOXAQ-UHFFFAOYSA-N 354.269 4.014 0 40 FIAB CCCCCC(=O)Nc1cccc(-c2nn3c(CCC)nnc3s2)c1 20609657 JYNPGCPKYCIQGG-UHFFFAOYSA-N 357.483 4.324 0 40 FIAB OC1=Nc2n[nH]cc2[C@@H](c2ccc(OCc3ccccc3)cc2)SC1 20716234 XZUGDFNNNGPPGE-GOSISDBHSA-N 351.431 4.413 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2noc(-c3ccccc3C)n2)c1 21806652 SPKWQFUFMUAIJC-OAHLLOKOSA-N 351.406 4.068 0 40 FIAB O=C(Cc1cccc2ccccc12)N(Cc1ccncc1)Cc1cccnc1 24831600 YVIGMWMZFZSGRY-UHFFFAOYSA-N 367.452 4.401 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCc2sccc2C1 28506485 CHMWLTDRSMJLHB-UHFFFAOYSA-N 368.458 4.130 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)c3ccccc3C)n2)cc1 31848777 GDYRGVYKYKXROH-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB Cc1ccc(C)c(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 32578680 HQUIFIPXEZSSFD-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB CC(=O)c1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)s1 32796160 XRZVQIPNIHOSQN-SECBINFHSA-N 352.253 4.204 0 40 FIAB CCc1nc(OCC(=O)Nc2ccc(C)cc2Cl)c2ccccc2n1 33287315 BRBSZUSSCQKKNT-UHFFFAOYSA-N 355.825 4.172 0 40 FIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)C12CC3CC(CC(C3)C1)C2 36079711 VNRXOYIJPVDCSI-RXXSEBCPSA-N 352.522 4.156 0 40 FIAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1OC 36360758 INHXJLNLWPFGIG-HNNXBMFYSA-N 367.380 4.152 0 40 FIAB O=C(NCc1cccc(OCc2ccccn2)c1)c1cccc(Cl)c1 36395583 SVJCJZKRFMIVQX-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB O=C(OCc1cc(-c2ccccc2F)on1)c1cc(-c2ccco2)on1 38767510 FXZLUNWBEVJQPY-UHFFFAOYSA-N 354.293 4.086 0 40 FIAB O=C(NCc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38857403 BWECIMPOKJOUBX-KRWDZBQOSA-N 360.860 4.008 0 40 FIAB COc1ccc(CN(C(=O)c2cc(OC)cc(OC)c2)[C@H](C)C2CC2)cc1 40056892 ZAOOBRLPAQNESR-OAHLLOKOSA-N 369.461 4.153 0 40 FIAB Cc1ccc(NC(=O)CCc2nc(Cc3ccccc3)no2)cc1Cl 40107358 IGHLVWMKUJOFQX-UHFFFAOYSA-N 355.825 4.194 0 40 FIAB O=C(Nc1cccc(COc2ccc3c(c2)OCO3)c1)[C@H]1CC=CCC1 40145787 UMCJASGAIXHILQ-INIZCTEOSA-N 351.402 4.289 0 40 FIAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1nc(C(C)(C)C)no1 44117430 UHJUUPOEVRLGLN-LLVKDONJSA-N 370.482 4.209 0 40 FIAB Cc1ccc(C(=O)Nc2cc(Cl)c3nc(NN)sc3c2Cl)cc1 45891540 RAQRQVFKCUQZEO-UHFFFAOYSA-N 367.261 4.449 0 40 FIAB COCCN1C(=O)c2ccccc2N[C@H]1c1csc(-c2ccsc2)n1 48355411 RIJRXSYEULVLNF-MRXNPFEDSA-N 371.487 4.085 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1CNCCc1ccccc1 61002745 DMNRPYKHKDJNID-UHFFFAOYSA-N 357.860 4.365 0 40 FIAB O=C(c1ccccc1F)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62130205 KXZOBHVMCCKSTJ-UHFFFAOYSA-N 363.436 4.242 0 40 FIAB COc1ccc(CN(C2CCCC2)C2CC2)c(Br)c1OC 64809389 JWEYVNAARQLSIL-UHFFFAOYSA-N 354.288 4.373 0 40 FIAB CCCCOc1ccc(-c2cc3c(=O)n(Cc4ccccc4)ccn3n2)cc1 64977367 REZOKBSANRVEOY-UHFFFAOYSA-N 373.456 4.390 0 40 FIAB O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(F)cc1 65257857 YAJQAHZRYGJZAH-UHFFFAOYSA-N 365.408 4.465 0 40 FIAB C[C@H](COCC(F)(F)F)Nc1nc(C(F)(F)F)nc2ccccc12 67383452 XAZYAVYWUIPFOO-MRVPVSSYSA-N 353.266 4.028 0 40 FIAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1cccc(Br)c1 70636044 ZRAWXYXCOWNGBX-GOSISDBHSA-N 370.246 4.066 0 40 FIAB COc1cccc(Cc2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)c1 72350101 QDCSDYOJGGYACP-IBGZPJMESA-N 366.505 4.039 0 40 FIAB Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cnc3ccccc3c2)cc1C 78702910 IMOCKVMGNQZLJI-NRFANRHFSA-N 373.456 4.154 0 40 FIAB CC(C)N(C(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1)C1CCCC1 84597224 PQTHOKUBEIVJFJ-UHFFFAOYSA-N 366.546 4.497 0 40 FIAB Cc1cc(N(C)C)ccc1NC(=O)N(Cc1cccnc1)Cc1ccco1 89589156 ZNJCSDDRQGBHEJ-UHFFFAOYSA-N 364.449 4.283 0 40 FIAB Cc1ccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227272 USNXXBXAOIHUKA-RXVVDRJESA-N 367.424 4.017 0 40 FIAB COc1ccc2cc(C(=O)NC[C@@](C)(OC)c3cccc(Cl)c3)[nH]c2c1 96392720 YYQPUFPNKNHMRJ-HXUWFJFHSA-N 372.852 4.122 0 40 FIAB CC(=O)OCCCc1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 97117648 BPZBOGNJQDZZQF-FQEVSTJZSA-N 366.461 4.204 0 40 FIAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NC(c1ccccc1)c1ccccc1)OC2=O 100260404 WZPQMHUPXQPZOY-GOTSBHOMSA-N 363.457 4.014 0 40 FIAB C[C@]12CC3CC(NS(=O)(=O)c4ccc(Cl)cc4)(C1)C[C@](C)(C3)C2 100980811 CEPNXBKLSXTQQH-KJFXSAIASA-N 353.915 4.367 0 40 FIAB CCN1C(=O)[C@H](Cc2cc(Br)ccc2OC)c2ccccc21 101014398 XSPSJMDAEFTULK-OAHLLOKOSA-N 360.251 4.151 0 40 FIAB CCOc1ccc(-c2cnc(NC[C@@H]3C[C@H]4C=C[C@H]3C4)n2CCOC)cc1 102513708 CNBSOBWGCNVJGG-WDSOQIARSA-N 367.493 4.219 0 40 FIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 103941034 DKNWKGFZCXWZKU-ILXVDBEPSA-N 352.434 4.086 0 40 FIAB Cc1c(-c2ccccc2)[nH]c2ccc(I)cc2c1=O 128797330 NOUKTAKHXBMNID-UHFFFAOYSA-N 361.182 4.108 0 40 FIAB CC(C)(C)c1csc(CNC2CCC3(CC2)C(=O)Nc2ccccc23)n1 133581484 HJVROEGFSYDLSW-UHFFFAOYSA-N 369.534 4.363 0 40 FIAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222756462 TZOCOGFAVOTUIB-QZTJIDSGSA-N 367.499 4.428 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C 223022863 LRDXEYUMJUCJJN-LLVKDONJSA-N 359.297 4.035 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 224846595 XFQSQORUXYZZNZ-OAHLLOKOSA-N 367.445 4.148 0 40 FIAB CSc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C)cc2)cc1 224994509 MBSDAWZBBREAJU-UHFFFAOYSA-N 351.493 4.021 0 40 FIAB O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225676407 UMUOEETVIZBVCD-CYBMUJFWSA-N 363.335 4.064 0 40 FIAB Cc1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4)n3)C2)s1 257280766 OMHFGFYPKKTDHL-NRFANRHFSA-N 365.502 4.011 0 40 FIAB Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cn1 332842952 ORHDKCVZDRNTLK-WOJBJXKFSA-N 368.456 4.042 0 40 FIAB Cc1ncccc1OC[C@H]1CCCN1C(=O)c1cccc(C(F)F)c1F 529495761 MCQJXYFVEQWKHP-CYBMUJFWSA-N 364.367 4.150 0 40 FIAB CC(C)Sc1ccc(CC(=O)NCCn2cc(-c3ccoc3)cn2)cc1 575616236 YCBIFSKFEVLVLD-UHFFFAOYSA-N 369.490 4.003 0 40 FIAB Cc1cc(-c2nnc(CN3CCCc4c(F)c(F)cc(F)c43)o2)c(C)o1 665281820 ONKYFZJMBNRBPH-UHFFFAOYSA-N 363.339 4.317 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)c2ccccc21 1587138144 LPMFBUPPCWEGRG-INIZCTEOSA-N 356.397 4.303 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CC(C)(C)N3c2ccc(F)cc2)n1 1615155315 HCTDXRQPFDFZPA-PMACEKPBSA-N 367.468 4.191 0 40 FIAB Cc1cc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2c2ccccc12 916532 DKZGBCZWIQJNOX-GASCZTMLSA-N 368.506 4.073 0 40 FIAB CCOc1ccc(/C=C/C(=O)Nc2cc(OC)ccc2OC)cc1OCC 936338 JPRGUMQXIOKRKZ-XYOKQWHBSA-N 371.433 4.153 0 40 FIAB CCOC(=O)[C@H](C)Oc1c(-c2ccco2)oc2c(C)cc(C)cc2c1=O 1292025 BZKFEXGAGHJWJH-ZDUSSCGKSA-N 356.374 4.000 0 40 FIAB O=C1[C@H]2CCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(F)c1 1385121 BRFAQYYXPKIBIS-MRXNPFEDSA-N 364.342 4.360 0 40 FIAB CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(C(C)C)cc1 1481089 ZGXUXRIQDIAZSY-GOSISDBHSA-N 372.490 4.023 0 40 FIAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)C(C)(C)C 2454189 NBYSETBZEAPMFK-UHFFFAOYSA-N 367.902 4.238 0 40 FIAB Cc1occc1-c1nnc(SCCCC(=O)c2ccc(F)cc2)n1C 2643455 DBECUDUGVXYKKG-UHFFFAOYSA-N 359.426 4.278 0 40 FIAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 3257305 URXBUOBQWOANIX-UHFFFAOYSA-N 363.465 4.137 0 40 FIAB COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc(OC)c1OC 3357168 SLSVYAXQIDCZSC-UHFFFAOYSA-N 361.825 4.036 0 40 FIAB Cn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033333 PGFNQWGZVUPRNO-LBPRGKRZSA-N 359.351 4.113 0 40 FIAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@@H]21 4180876 QZQZISHGPPUQIL-RMHZUWNSSA-N 372.262 4.015 0 40 FIAB Cc1ccc(-c2csc3ncn(CC(=O)OC(C)(C)C)c(=O)c23)cc1C 5263753 ZMBVXJBTJUXSIL-UHFFFAOYSA-N 370.474 4.084 0 40 FIAB O=C(NCCc1csc(-c2cccs2)n1)c1c(F)cccc1F 5483271 QILFAXPXZSWZPT-UHFFFAOYSA-N 350.415 4.122 0 40 FIAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cc1F 5714865 RKCQNIXETQURQF-UHFFFAOYSA-N 371.795 4.357 0 40 FIAB C[C@H]1[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)C[C@H]2CCCCN12 5758921 MWRBNPVKOTZDOJ-BWAGFHJFSA-N 362.517 4.198 0 40 FIAB CCN1CCC[C@H]1CNC(=S)Nc1ccc(Oc2ccccc2)cc1 5939049 ZKAXCJLBWMWYJU-KRWDZBQOSA-N 355.507 4.250 0 40 FIAB Cc1ccccc1NC(=O)[C@@]1(c2ccsc2)CC(=O)N1c1ccccc1 6756775 HBKWCFBXARZTMA-NRFANRHFSA-N 362.454 4.327 0 40 FIAB CC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 7112490 XNOUKYLZIQFVLY-HXUWFJFHSA-N 361.401 4.005 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 7574023 PXNDQPHWSQVSGN-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc(F)c1 7578994 QVORORHVUWVFNY-UHFFFAOYSA-N 367.449 4.318 0 40 FIAB CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1C1CC1 7618751 DDYUIHMTFNGRNH-KRWDZBQOSA-N 370.522 4.021 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O 7928188 IRCUNDFEGDVOQD-UZLBHIALSA-N 364.489 4.042 0 40 FIAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 9064208 YQTLYRHMHXBWRR-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB O=C(Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)NC1CCCCCC1 9604201 TZNFHTKVZZLSAK-UHFFFAOYSA-N 364.902 4.100 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc1 10469509 OPPBDPIJCANYJL-KKSFZXQISA-N 369.461 4.213 0 40 FIAB Cc1ccc(-n2ncc3c(=O)nc(SC/C=C/c4ccccc4)[nH]c32)cc1 10612769 HXPAPFRITZYYSB-VMPITWQZSA-N 374.469 4.223 0 40 FIAB CCn1/c(=N/C(=O)c2oc3ccccc3c2CSC)[nH]c2ccccc21 10650997 BZBGSHMJNPBPRK-UHFFFAOYSA-N 365.458 4.340 0 40 FIAB Cc1oc(-c2ccccc2)nc1CSc1nnnn1-c1cccc(F)c1 11056583 VTFXOMKCAWXXPC-UHFFFAOYSA-N 367.409 4.057 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12791884 IZNARHBXZJCQRD-UHFFFAOYSA-N 354.538 4.361 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 12913122 VUBJFOMPFVZZMW-RTBURBONSA-N 350.506 4.260 0 40 FIAB O=C(O)Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 13439880 LKLDAFDOKSRJCA-UHFFFAOYSA-N 359.425 4.474 0 40 FIAB Cc1ccc(NC(=O)CSCCC(=O)Nc2cc(C)ccc2C)cc1 14139037 HPBHXXPFDZRTLA-UHFFFAOYSA-N 356.491 4.312 0 40 FIAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(OC)nc1 15565611 NKULKDZHSBZHTD-UHFFFAOYSA-N 364.445 4.304 0 40 FIAB COc1cc(CNC(=O)c2ccc(C)o2)ccc1OCc1ccccc1 18160803 MLAMKCDXLFQXJC-UHFFFAOYSA-N 351.402 4.106 0 40 FIAB Cc1ccc([C@@H](O)CN2CCc3onc(-c4cccc(F)c4)c3C2)c(C)c1 19132530 MJCAUBXSJYOKQJ-FQEVSTJZSA-N 366.436 4.189 0 40 FIAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)c2ccccc2F)c1C 19557896 OCRBFVPZJNYACS-QGZVFWFLSA-N 368.412 4.188 0 40 FIAB CC[C@H](NC(=O)c1ccc2c(c1)c(C)cn2C)c1c(C)nn(CC)c1C 19663134 MQHUUOBCGWWBMP-SFHVURJKSA-N 352.482 4.201 0 40 FIAB Cn1c(CCC(=O)Nc2ccc(OC3CCCC3)cc2)nc2ccccc21 19717449 HJIYDOWOKJXYKF-UHFFFAOYSA-N 363.461 4.466 0 40 FIAB CC1(NC(=O)CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCC1 19748590 LSIWPUFVLRKLCE-UHFFFAOYSA-N 368.443 4.366 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2ccc(CC)cc2)c(Cl)c1 20107837 HRIGVCGNBXFKBH-UHFFFAOYSA-N 361.825 4.097 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(OC)c1 22512694 DHJOQEBSGOEZGI-HXUWFJFHSA-N 355.478 4.218 0 40 FIAB COc1ccc(-c2nn3c(NC4CCCC4)cc(C)nc3c2C)cc1OC 23118891 ALGFPYQGKUUNKK-UHFFFAOYSA-N 366.465 4.385 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1Cl 24042366 VIBIJLAAJQMDRH-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(Cl)ccc1Cl 24754023 LHYIBIATNVVYPD-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[C@H]1Sc2ccccc2NC1=O 27233089 CRFCTKRDHJPMKZ-MEDUHNTESA-N 360.866 4.336 0 40 FIAB COc1c(S(=O)(=O)NCCC2=CCCCC2)ccc(Cl)c1Cl 27587861 SGBDLZWRGLSDKK-UHFFFAOYSA-N 364.294 4.171 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccn(-c2ccccc2)n1 32908021 HVTJJUSPAHUSLV-UHFFFAOYSA-N 355.825 4.322 0 40 FIAB Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccc(F)cc1 32967333 JKSBGHIVCPARRQ-UHFFFAOYSA-N 368.408 4.282 0 40 FIAB Cc1nc(COc2ccccc2)sc1C(=O)NCCc1ccccc1 36107955 FGJVHPRKGJHIGR-UHFFFAOYSA-N 352.459 4.003 0 40 FIAB Cc1cnn(C)c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 38661783 BEXDENDZCMUPBX-UHFFFAOYSA-N 367.261 4.411 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=O)c2c(OC)cccc2OC)cc1 44842356 IKDNUIWDTLBLIE-QGZVFWFLSA-N 357.450 4.230 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)no2)cc1OC 46086602 LYSRZDOHDSXANL-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB Cc1noc(CCCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)n1 48833442 VYZZORFREXEMOM-SNVBAGLBSA-N 356.253 4.227 0 40 FIAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 58971878 WPGLFWXZMWUNLA-IAGOWNOFSA-N 362.945 4.246 0 40 FIAB CCN(C)c1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1 60319017 CMWWXXQRQXUEHC-UHFFFAOYSA-N 362.433 4.286 0 40 FIAB COC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cc(C)ccc2n1 65033574 QQGJWHQXBQEXGQ-UHFFFAOYSA-N 352.390 4.091 0 40 FIAB COc1ccc(NC(=O)c2sccc2C2CC2)cc1N1CCCCC1=O 67163903 AFYSQSJFDAEENO-UHFFFAOYSA-N 370.474 4.403 0 40 FIAB Cc1cn2nc(N(C)[C@@H](c3ccccc3)c3ccc(F)cc3)sc2n1 72307678 DKEIXWWOWPLTRF-KRWDZBQOSA-N 352.438 4.464 0 40 FIAB O=C(Nc1cccc(I)c1)N1CCC[C@@H]2CCC[C@H]21 79019456 ITDCYMGPUFVSRA-SMDDNHRTSA-N 370.234 4.088 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1 89636895 VWCBMPKTCCIFDU-CYBMUJFWSA-N 351.397 4.191 0 40 FIAB O=C(Nc1ncc(-c2ccccc2)s1)Nc1c[nH]nc1-c1ccccn1 89851266 JYTBPIBKRBWUKV-UHFFFAOYSA-N 362.418 4.239 0 40 FIAB CO[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)s1 96104734 QJJOZTYQAPPNCB-CQSZACIVSA-N 374.289 4.246 0 40 FIAB CN(c1ccccc1)c1ccc2ccc(C(=O)NCCc3cccnc3)cn12 96146178 RULPTQKNQRUZSF-UHFFFAOYSA-N 370.456 4.075 0 40 FIAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(Cl)s1)n2C 100845973 OPRIJIJAWDPQLC-ICFOKQHNSA-N 352.868 4.095 0 40 FIAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1ccccc1Cl 101622141 HNTMIJGLBHTGKZ-ACJLOTCBSA-N 360.866 4.283 0 40 FIAB Cc1oc(-c2ccccc2)c(C(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C 188485584 VNCZWZPJQZMHQX-DNVCBOLYSA-N 363.461 4.483 0 40 FIAB O=C(c1ccccc1Br)N1CCS[C@@H](c2ccco2)CC1 207006743 KRYBSDRAEGVHAZ-OAHLLOKOSA-N 366.280 4.363 0 40 FIAB CCCc1ccc(OCCNC(=O)CSCc2ccc(OC)cc2)cc1 223433328 GQHMZVJLEMKMFK-UHFFFAOYSA-N 373.518 4.076 0 40 FIAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2O1 223955489 MPQVJPFHFMBMFM-GOSISDBHSA-N 359.491 4.356 0 40 FIAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1cccc(OC)c1 224590987 YAGOBRZTMWKWKW-UHFFFAOYSA-N 369.461 4.299 0 40 FIAB COc1ccccc1NC(=O)NCc1cccc(CN2CCCCC2)c1 224705654 FOXKCHFGGUNWKA-UHFFFAOYSA-N 353.466 4.003 0 40 FIAB Cc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224780508 OTEVJCDFXSZSNB-SFHVURJKSA-N 351.490 4.390 0 40 FIAB Cc1ccccc1CSCCNC(=S)Nc1ccc(F)c(F)c1 225361667 PELURYWKCLWSHT-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)Cc3ccc(Cl)cc3F)n2)cc1 225375881 QQJPVYXBCHDUPT-UHFFFAOYSA-N 373.815 4.039 0 40 FIAB COc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1 225685815 JARJBVUINFWUOV-KRWDZBQOSA-N 372.490 4.293 0 40 FIAB CC1CCN(c2ccc(N)cc2NC(=O)Cc2ccc(Cl)cc2)CC1 226253855 ATQIQBQGWYUJJX-UHFFFAOYSA-N 357.885 4.340 0 40 FIAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(O)c4)OCC[C@@]31C2 257304531 SMBYOHZNWPSCBS-XUKPVSMISA-N 357.494 4.191 0 40 FIAB Cn1cc(NC(=O)N2CCc3c(F)ccc(F)c3C2)c(C2CCCCC2)n1 297295683 GINAKLIYKJBVHL-UHFFFAOYSA-N 374.435 4.336 0 40 FIAB Cn1c(=O)n(C)c2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 408607397 LXIISOXJKXUGJM-UHFFFAOYSA-N 371.396 4.029 0 40 FIAB CN(C)[C@@H](CNC(=O)c1c(F)cccc1F)c1csc2ccccc12 575622576 ZWPWCZBBTWTEEY-INIZCTEOSA-N 360.429 4.212 0 40 FIAB O[C@@H]1[C@@H](NCc2ccc(Cl)cc2)CCC[C@H]1Oc1ccc(Cl)cc1 585288432 ACUISGPYEIQTKE-IPMKNSEASA-N 366.288 4.444 0 40 FIAB C[C@@]1(C(=O)OCc2ccccc2)CCCCN1C(=O)OCc1ccccc1 675082846 YYCMHDXTZPNRIU-QFIPXVFZSA-N 367.445 4.311 0 40 FIAB Cc1c(C(=O)N(C)CCc2ccc(Cl)cc2)nc(O)c2ccccc12 1137909926 KSZRPOAEJYUVNY-UHFFFAOYSA-N 354.837 4.217 0 40 FIAB O=C(c1cccc(-n2cccc2)c1)N1C[C@H](n2ccnc2)Cc2ccccc21 1775996514 YJBWOLOGIXZHAQ-OAQYLSRUSA-N 368.440 4.118 0 40 FIAB FC(F)(F)c1cc(NC2CCN(C/C=C/c3ccccc3)CC2)ncn1 1888864090 JRTVLBLNZJMMJC-QPJJXVBHSA-N 362.399 4.085 0 40 FIAB O=C(c1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363905 VVKWQAVOHBADKM-MRXNPFEDSA-N 367.836 4.410 0 40 FIAB C[C@H](Sc1nnc2c(n1)[C@H]1CC[C@]2(C)C1(C)C)C(=O)Nc1ccccc1 2259181 VJZFVMRQLJQOKM-HKMRUAMVSA-N 368.506 4.166 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCNCCOC(=O)Nc1ccccc1)C2 2277158 LBEOWKDSFZCIPA-DJPFJPOOSA-N 360.498 4.056 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3cccs3)n2)c1 2650930 QPFGJBCVHUUROR-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB CCCOc1c(OCC)cc(C=O)c(Br)c1Br 2766023 PSIIWLYZHXBAEW-UHFFFAOYSA-N 366.049 4.212 0 40 FIAB Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(F)cc1 3356162 CDHHVMXMHKVMNR-UHFFFAOYSA-N 367.858 4.311 0 40 FIAB O=C(Nc1ccc(Cl)cc1)c1cccc(I)c1 3402846 ULRXMAQGAHGZTM-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)c2ccc(Br)s2)cc1 3412352 SRFUCLFMWNXHQL-UHFFFAOYSA-N 370.293 4.444 0 40 FIAB O=C(O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)n1 4478106 MCACTHMKTWOIQV-UHFFFAOYSA-N 373.743 4.366 0 40 FIAB CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccnc2)s1 4881773 HDAROGUTJUFJDQ-UHFFFAOYSA-N 368.462 4.056 0 40 FIAB COc1cc(NCc2cc(=O)oc3cc(C)c(C)cc23)cc(OC)c1OC 5172894 KLYOEQNRYQVTKV-UHFFFAOYSA-N 369.417 4.048 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 5199109 MWYACYSWHFXLPF-MRXNPFEDSA-N 354.450 4.092 0 40 FIAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5292229 URXWVWVPMJSAJD-CDXCJDFSSA-N 370.489 4.185 0 40 FIAB c1ccc(-c2cc(-c3nnc4sc(C5CCCCC5)nn34)n[nH]2)cc1 5459601 ARDSYMQNQIOCSS-UHFFFAOYSA-N 350.451 4.291 0 40 FIAB Cc1cc(C)c2c(=O)c3c(oc2c1)O[C@@](C)(CO)C[C@@H]3c1ccccc1 5758886 FYEMXCPCNRCWEW-OPAMFIHVSA-N 350.414 4.075 0 40 FIAB O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CC(F)(F)F 5762743 UNEGKJOMTTVNJB-UHFFFAOYSA-N 352.139 4.014 0 40 FIAB CCSc1nnc(NC(=O)CCSc2ccc(Cl)cc2)s1 6232396 SOGCHCWNSSLTQP-UHFFFAOYSA-N 359.929 4.424 0 40 FIAB O=C(N/C=C/NC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 6511638 XHQGMRCQARRHLQ-BQYQJAHWSA-N 365.220 4.408 0 40 FIAB O=C1S/C(=C/c2ccc(O)cc2)C(=O)N1Cc1ccc(F)cc1Cl 6882843 IUOBOLDOCCWTDW-VIZOYTHASA-N 363.797 4.421 0 40 FIAB CCn1c(SCC(=O)c2ccc(NC(C)=O)cc2F)nc2ccccc21 6974755 TXMBOOANTWQLBC-UHFFFAOYSA-N 371.437 4.129 0 40 FIAB Cc1ccc2c(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cccc2n1 7388866 PUYAZPQBOOCPQF-UHFFFAOYSA-N 369.877 4.252 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccccc2C)CC1 7406745 RJTHZJMDOSNLNN-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 7608103 YKMJSGYKFPFTKX-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB COc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)c(OC)c1 7844992 NOVPJZYANQAPLJ-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1cccs1 7981785 WQNRFXDIKPKBJN-ZHACJKMWSA-N 353.447 4.249 0 40 FIAB Cc1ccc(-c2csc3ncnc(S[C@H]4C[C@@H](C)OC4=O)c23)cc1 8271087 JHRCTBRNKRCGBM-RISCZKNCSA-N 356.472 4.463 0 40 FIAB CCCCOc1cc(S(=O)(=O)n2cnc3ccccc32)ccc1Cl 8714717 SSQIAGUYGCPEFC-UHFFFAOYSA-N 364.854 4.106 0 40 FIAB CCN(c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1)C(C)C 9157537 PJIPZLDKANRAHM-UHFFFAOYSA-N 373.541 4.145 0 40 FIAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nn12 9190461 HEIOTTYRYFLUIR-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB COc1ccccc1OCC(=O)Nc1c(-c2ccccc2)nc2ccccn12 9466453 RCGHATLDXDQTSH-UHFFFAOYSA-N 373.412 4.027 0 40 FIAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1cc(C)cc(C)c1 9627515 XXHWVDSQCRPXOY-UHFFFAOYSA-N 357.461 4.459 0 40 FIAB COC(=O)[C@@H](C)Sc1nc(C)nc2scc(-c3cccs3)c12 9806880 CTKQVMHVAVYKRL-MRVPVSSYSA-N 350.490 4.382 0 40 FIAB Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 10882333 PHAZZUPYHJCFDM-UAGQMJEPSA-N 357.523 4.356 0 40 FIAB Cc1sc2nc([C@H]3CCCN(C(=O)c4cccs4)C3)nc(O)c2c1C 12336874 DJXKHRHDHZPWSR-LBPRGKRZSA-N 373.503 4.095 0 40 FIAB COc1ccc(NC(=O)[C@H](Sc2nc3ccccc3[nH]2)C(C)C)cc1 12525155 FZPXCGSIYWVOSV-QGZVFWFLSA-N 355.463 4.327 0 40 FIAB Fc1ccc(-c2nnn(Cc3csc(-c4ccccc4Cl)n3)n2)cc1 12747700 YAWZKPNYOVDELJ-UHFFFAOYSA-N 371.828 4.304 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)C12CC3CC(CC(C3)C1)C2 12747984 OCSDXFJDKURACD-XSXQVXRUSA-N 355.478 4.183 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCSc3c(F)cccc32)c(C)c1 12756746 QGASBKDZHNCXOK-INIZCTEOSA-N 365.495 4.266 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 14109612 HPOZTBNKVQCVSA-UHFFFAOYSA-N 365.882 4.428 0 40 FIAB O[C@@H](CNCc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1 16477489 UOBRZBZNIBUXSZ-QFIPXVFZSA-N 351.421 4.228 0 40 FIAB CSc1ccc(CN(C)C(=O)Cc2csc(-c3ccccn3)n2)cc1 17366686 VTNIUQJUXTWFET-UHFFFAOYSA-N 369.515 4.128 0 40 FIAB CC(C)c1nccn1[C@@H](C)c1cc(O)n2ncc(-c3ccc(F)cc3)c2n1 19454339 CYYCEZFKUDKQRX-ZDUSSCGKSA-N 365.412 4.170 0 40 FIAB CCn1cc([C@H](NC(=O)c2ccccn2)c2ccc(F)cc2)c2ccncc21 19524844 PXOKITUIBDKQST-OAQYLSRUSA-N 374.419 4.110 0 40 FIAB Cc1ccn2c(C(=O)N(C)Cc3cccc(C(F)(F)F)c3)c(C)nc2c1 20032133 XSSBUKKXZXENOU-UHFFFAOYSA-N 361.367 4.242 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)/C=C/c1ccccc1Cl 20112156 VVIHBJMSNFZSSV-ZHACJKMWSA-N 351.837 4.164 0 40 FIAB Cc1ccnc(NC(=O)COc2cc(C)c(Br)c(C)c2C)c1 20426646 DYOLEOGHQGARSN-UHFFFAOYSA-N 363.255 4.095 0 40 FIAB Cc1nc(COc2ccccc2)sc1C(=O)NCc1ccc(F)cc1 20428194 RKSARDUXRSLVHL-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1Cl 20495761 MCGLFBBOMYPHKM-LLVKDONJSA-N 365.788 4.062 0 40 FIAB CN1C(=O)CC[C@H](C(=O)Nc2cccc3ccccc23)[C@H]1c1ccccc1 20714733 CLHQIIBHGJTAOT-SIKLNZKXSA-N 358.441 4.388 0 40 FIAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(Nc3ccccn3)n2)cc1 22421032 AXUBWPXMRODLOQ-CQSZACIVSA-N 366.490 4.406 0 40 FIAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccco1 22461429 QUFKYDXLRUNBFJ-UHFFFAOYSA-N 361.357 4.161 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 24181816 INHJMDGTUMVBGO-JOCHJYFZSA-N 366.505 4.146 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(Nc2ncccn2)c1 24545058 KRTLXZVETACINS-UHFFFAOYSA-N 373.243 4.457 0 40 FIAB Cc1cc(C)cc(NC(=O)CCn2c(S)nnc2-c2ccc(F)cc2)c1 24760357 ULVNHVLXBPCOLM-UHFFFAOYSA-N 370.453 4.019 0 40 FIAB O=C(CCC(=O)c1ccccc1)Nc1ccccc1OCC(F)(F)F 26134652 KOYMYRPSCHQXHO-UHFFFAOYSA-N 351.324 4.229 0 40 FIAB CC[C@@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1OC 27133821 MBANNDVROUCOAQ-GOSISDBHSA-N 362.433 4.110 0 40 FIAB O=C(c1ccco1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 28232052 JJGDHAVVYQZJSQ-AWEZNQCLSA-N 354.233 4.408 0 40 FIAB COc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289376 ZLCBCMVASDZGRH-LJQANCHMSA-N 354.494 4.025 0 40 FIAB COc1ccc2nc(C)c(C(=O)OCc3ccc(-n4cccn4)cc3)cc2c1 29948367 SCCCSBPFOQZCAP-UHFFFAOYSA-N 373.412 4.095 0 40 FIAB Cc1ccc(-n2c(-c3sc4ncccc4c3N)n[nH]c2=S)cc1C 30822970 QHQRFVNMFWVBOY-UHFFFAOYSA-N 353.476 4.406 0 40 FIAB COc1ccc(-c2nc(CSCC(=O)N(C)c3ccccc3)co2)cc1 31424387 RRNMMBQTPPABFH-UHFFFAOYSA-N 368.458 4.246 0 40 FIAB Cc1ccc(SCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1 32669924 KXHBZVIBPNZIGK-UAGQMJEPSA-N 363.523 4.022 0 40 FIAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1 32753274 WUXZRKFAIHVFAT-JTQLQIEISA-N 354.237 4.145 0 40 FIAB C[C@@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 32794936 OVRDQXQSSHECMB-HUUCEWRRSA-N 351.450 4.157 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2F)cc1OC 32830846 MNYGSNRHIIVEFM-NSHDSACASA-N 351.805 4.377 0 40 FIAB COc1ccc(C)cc1[C@H](C)NC(=O)NCCOc1ccc(Cl)cc1 32862534 NEODUEDGILOUIR-AWEZNQCLSA-N 362.857 4.096 0 40 FIAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccncc3)s2)o1 32954866 MEMSYGGIIUFKPN-OAHLLOKOSA-N 353.447 4.392 0 40 FIAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CC(c2cccc(F)c2)=NO1 33145203 JIJVYDLLCMFPHO-KRWDZBQOSA-N 367.405 4.081 0 40 FIAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)c1 36354974 STQWWTGHOCPYHY-AWEZNQCLSA-N 367.380 4.152 0 40 FIAB COCc1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 36783588 VYMBOASNQOOGPH-UHFFFAOYSA-N 360.385 4.487 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(-c2cc[nH]n2)cc1 38716842 HXGMDJNXDPXYSL-UHFFFAOYSA-N 353.809 4.332 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 40106742 WFNDAQKTBDNDNP-QGZVFWFLSA-N 374.440 4.023 0 40 FIAB CC(=O)NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 40108441 YWQJGVOABRPPRR-MRXNPFEDSA-N 369.317 4.290 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)N[C@H](c1cccs1)C1CCCC1 40120987 FEHDKHOMWTVICY-SFHVURJKSA-N 367.478 4.382 0 40 FIAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(SC(F)(F)F)cc2)n1 40121529 KOXNNBSSHRPPKH-NSHDSACASA-N 371.428 4.178 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 42645584 ZEXVZCMEBAWEBS-AWEZNQCLSA-N 374.868 4.228 0 40 FIAB CCc1ccc([C@H](C)NC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 43669076 SWZPIGYTDCXBEA-ZDUSSCGKSA-N 355.438 4.099 0 40 FIAB Cc1ccc(-c2cnc(SCC(N)=O)n2-c2cccc(Cl)c2)cc1 44087294 BETUVDGWWNNWCP-UHFFFAOYSA-N 357.866 4.079 0 40 FIAB Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(C)c1 44140950 SJAVKLREDQQPRZ-UHFFFAOYSA-N 365.477 4.203 0 40 FIAB COc1c(F)cc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1F 56207582 YDAOQRCPNXRWEP-SFHVURJKSA-N 360.404 4.139 0 40 FIAB COc1ccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)s3)o2)cc1 60016717 DTXOXINAYATBNR-INIZCTEOSA-N 355.463 4.452 0 40 FIAB CC(C)(C)c1ccc(C(=O)C(=O)Nc2cccnc2N2CCCCC2)cc1 64309817 PSDOBYYAQSNUFV-UHFFFAOYSA-N 365.477 4.191 0 40 FIAB N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 72227545 UFEYVZRYSCCQAN-KGLIPLIRSA-N 374.284 4.139 0 40 FIAB COc1ccccc1-c1noc([C@H](C)NC(=O)C[C@H](C)c2ccccc2)n1 72303536 GISUYFRALLGHDH-GJZGRUSLSA-N 365.433 4.116 0 40 FIAB O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72357818 VBINMIUJASUEQS-NRFANRHFSA-N 361.420 4.184 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)N1CCC(CSCc2ccco2)CC1 85472419 SOIPDELCXQCXAL-MRXNPFEDSA-N 359.491 4.219 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC=C(c2cccnc2)CC1 95454753 ATABXASPALOBED-OAHLLOKOSA-N 355.869 4.160 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1c1nc2ccccc2o1 96122567 MHLVPYWYSSHUGU-OAHLLOKOSA-N 359.788 4.228 0 40 FIAB O=C(N[C@H]1CCCN(c2nsc3ccccc23)C1)OCc1ccccc1 98181658 JJNMLOGYBRAKJY-INIZCTEOSA-N 367.474 4.192 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccccc2)CC1 113970753 YLNAUEZMUZEIPM-FQEVSTJZSA-N 372.896 4.155 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@@H](O)c2ccc(Cl)cc2)cc1OC 195528584 BLOAWBJDLRBEDT-ZWKOTPCHSA-N 361.869 4.228 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccccc1Cl 218850426 ROQWRYNIUYXPPD-INIZCTEOSA-N 359.853 4.446 0 40 FIAB CC(C)c1ccc(OCC(=O)NCCSCc2ccccc2F)cc1 218961198 DBKDQICZGBHHPY-UHFFFAOYSA-N 361.482 4.378 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 222822038 RHUOCUZJJXBPSY-ZWKOTPCHSA-N 367.489 4.225 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 222982349 WWLKAMHJEGKTBI-YWZLYKJASA-N 371.477 4.301 0 40 FIAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O 223474512 OEEYMMZVRXISPC-NRFANRHFSA-N 370.468 4.222 0 40 FIAB Cc1ccc(OCCNC(=O)CCc2ccc(Cl)cc2Cl)cc1 225377030 HZHABMVOBPQFES-UHFFFAOYSA-N 352.261 4.430 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCc1cccnc1-c1cccnc1 225643650 VSGQAVPLCMXFDO-UHFFFAOYSA-N 368.824 4.127 0 40 FIAB O=C(NCc1cccnc1-c1ccncc1)c1ccc(Cl)c(Cl)c1 225749634 HYQGZFTWQCUNEM-UHFFFAOYSA-N 358.228 4.380 0 40 FIAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225801654 YBVOPOLAPQNBDF-FQEVSTJZSA-N 365.470 4.184 0 40 FIAB COc1cc(Cl)c(-c2nc(O)c3c(C)c(C)sc3n2)cc1OC 408735904 ZEFJZDPBXGGPFO-UHFFFAOYSA-N 350.827 4.351 0 40 FIAB COc1cccc(C(=O)/N=c2\sc(C)c(-c3ccc(C)cc3)n2C)c1 409197065 VDSVDRZRGYDJCC-MRCUWXFGSA-N 352.459 4.120 0 40 FIAB Cn1cc(-c2ncc(CN[C@H]3C[C@H]4CCC(C)(C)c5cccc3c54)cn2)cn1 527232329 RWLATPJISBOSRC-UZLBHIALSA-N 373.504 4.267 0 40 FIAB O=C(O)c1ccccc1CN1CCC(C(=O)c2ccc(Cl)cc2)CC1 570286138 DQJVEQXWQDUUBG-UHFFFAOYSA-N 357.837 4.133 0 40 FIAB CCOC1CC2(CCN(C(=O)C(C)(C)c3ccc(OCC(C)C)cc3)C2)C1 585082604 PEHMHAZYTDXBLH-UHFFFAOYSA-N 373.537 4.417 0 40 FIAB C[C@H](C(=O)Nc1c(-c2ccccc2)ncn1C)[C@H]1OCCc2sccc21 585139595 FPFIOLWGALBMFG-SCLBCKFNSA-N 367.474 4.037 0 40 FIAB O=C(c1ncccc1Oc1ccccc1)N1CCC[C@@H](c2ccncc2)C1 647703663 CCYHQRLJWHEBIW-GOSISDBHSA-N 359.429 4.289 0 40 FIAB Cn1c(SCc2nc(-c3ccccc3)no2)nnc1C1CCCCC1 811913 JQMLOBUOQQUVHA-UHFFFAOYSA-N 355.467 4.205 0 40 FIAB CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)nc2ccc(F)cc12 1223995 JVNDRTMKFSJDHP-GFCCVEGCSA-N 356.422 4.480 0 40 FIAB CC(C)Oc1ccc([C@@H](CCN2C(=O)CCC2=O)Cc2ccccc2)cc1 1321718 QCTPMNYOYAFXMY-FQEVSTJZSA-N 365.473 4.339 0 40 FIAB biogenic CCc1ccc2nc3sc(C(=O)N4CCC(C)CC4)c(N)c3cc2c1 1342791 MUWALHWOYHYWOV-UHFFFAOYSA-N 353.491 4.466 0 40 FIAB CC(C)CO[C@@H](C)OC[C@H](C)Cc1cc2c(cc1Br)OCO2 1848590 BPJPRYBHLYSZHZ-CHWSQXEVSA-N 373.287 4.392 0 40 FIAB CC(C)CCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2255925 RONAODFJJRKCOP-UHFFFAOYSA-N 374.444 4.359 0 40 FIAB CCOc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1 2722996 IZXRJOQAUICGRF-UHFFFAOYSA-N 353.447 4.002 0 40 FIAB CC[C@@H](COC(=O)Nc1cc(C)ccc1C)NC(=O)Oc1ccccc1 3087651 HXISQPYGMKMHHZ-INIZCTEOSA-N 356.422 4.419 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nncs1)c1ccccc1 3389434 XRABQHRVVGKIGV-INIZCTEOSA-N 371.487 4.327 0 40 FIAB CCOc1ccc(-c2nnc3n2N[C@H](c2ccc(Cl)cc2)S3)cc1 3843251 OAPRHWLBEXBAAV-INIZCTEOSA-N 358.854 4.345 0 40 FIAB biogenic CCCCNc1ccccc1C(=O)OCC(=O)c1[nH]c(C)c(C(C)=O)c1C 4247553 VSROKVDCUUIVDQ-UHFFFAOYSA-N 370.449 4.086 0 40 FIAB CC(C)c1nc2sc3c(NCCN(C)C)ncnc3c2c2c1CCCC2 4863210 DDJLGLCDBQLKMT-UHFFFAOYSA-N 369.538 4.215 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(Cl)ccc1O 4926658 JYUUWIGJZNVFNX-SUYBPPKGSA-N 368.857 4.206 0 40 FIAB Cc1ccc([C@@H]2c3cccn3CCN2C(=O)NCCc2ccccc2)cc1 5256432 PGWCWOFEOIQBRU-JOCHJYFZSA-N 359.473 4.154 0 40 FIAB COc1ccc(CNC(=O)COc2ccc(Oc3ccccc3)cc2)cc1 5292978 IJFJGVFDDRAGKO-UHFFFAOYSA-N 363.413 4.183 0 40 FIAB COc1ccc(-c2n[nH]c(=S)n2C/C=C/c2ccccc2)cc1OC 5485160 DYZJPVBJHLXFGK-RMKNXTFCSA-N 353.447 4.338 0 40 FIAB CC(=O)c1ccccc1OCCSc1nnc(C)n1-c1ccc(C)cc1 5687629 KCLRSBANLPPIJS-UHFFFAOYSA-N 367.474 4.258 0 40 FIAB Cc1cc2nnc(S[C@@H](C)C(=O)NC3CCCCC3)n2c2ccccc12 5885783 OEXCREVWYINNCL-AWEZNQCLSA-N 368.506 4.120 0 40 FIAB CCOc1cc(C(=O)Nc2ccccc2)cc(Br)c1OC 6338418 YXRQEQIIZSCYDA-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1 6375279 HLBGLUMXTKXZBI-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB CCc1ccc2nc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)sc2c1 6590027 PDQSYMHSNNMCRP-OAHLLOKOSA-N 358.850 4.454 0 40 FIAB COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccccc1 6913943 BAKZFTUJTNYSRB-UHFFFAOYSA-N 373.455 4.003 0 40 FIAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 6951691 PKNMIYIHIWODIW-KGENOOAVSA-N 372.424 4.331 0 40 FIAB COc1cc(OC)c(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)cc1Cl 7653880 PHKPLLGMDPKCNN-CHWSQXEVSA-N 362.857 4.035 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)Cc2noc3ccccc23)cc1OCC 8031558 CYPPOPFJQLFHNY-CQSZACIVSA-N 368.433 4.045 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(N[C@H](C)[C@H](O)c4ccc(O)cc4)c23)C1 9114088 KWKNZEJEOCTRQA-FMTVUPSXSA-N 369.490 4.056 0 40 FIAB CCN(C(=O)CSc1nnc2sc3ccccc3n12)C1CCCCC1 9157378 OIMQNZAQMOOTOY-UHFFFAOYSA-N 374.535 4.217 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2sc3ccccc3c2Cl)no1 9315281 ITTDHEXVVMAASD-SECBINFHSA-N 364.810 4.035 0 40 FIAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1 9422480 AMEHJRLWJAKVHN-NRFANRHFSA-N 357.413 4.416 0 40 FIAB O=C(Cc1ccc2c(c1)CCO2)NCc1ccc(-c2ccc(Cl)cc2)o1 10404623 XJZIDSOFGCMEHH-UHFFFAOYSA-N 367.832 4.394 0 40 FIAB COc1cccc(-c2cc(CNC(=O)c3ccc(OC(C)C)cc3)no2)c1 11613480 UAKJMTZLTHLLGE-UHFFFAOYSA-N 366.417 4.067 0 40 FIAB Cc1cc(-c2snnc2C2CCN(CCCc3ccccc3)CC2)on1 12223961 ANNBHFBGELAGHD-UHFFFAOYSA-N 368.506 4.314 0 40 FIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NCc1ccccc1F 12551182 CVYAJZTYNFGSTL-UHFFFAOYSA-N 365.433 4.061 0 40 FIAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cc(F)cc(F)c3)n2)C1 12792554 ZSUVCAPARBJFFE-RYUDHWBXSA-N 365.449 4.152 0 40 FIAB CN(C)[C@@H](CNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccsc1 13011197 XWOAPCFNZZPVKY-NRFANRHFSA-N 364.514 4.377 0 40 FIAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)o1 14182680 VTZUVANWSNDUGM-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB COC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 14787855 MHYDRZGREMKSOB-UHFFFAOYSA-N 361.397 4.305 0 40 FIAB CCOCCOc1ccccc1CNc1cccc(OC[C@@H]2CCCO2)c1 19738609 HEOLLRRODJEBMU-NRFANRHFSA-N 371.477 4.272 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1Cl 20142386 SOAXGVHCUCSKCL-UHFFFAOYSA-N 354.189 4.343 0 40 FIAB CC(C)(C)C(=O)Cn1c(=N)n(Cc2ccccc2Cl)c2ccccc21 20171812 NFPTXRWSTFDPSB-UHFFFAOYSA-N 355.869 4.239 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC 20488937 CDSFDPQROZNWLO-CHWSQXEVSA-N 363.841 4.002 0 40 FIAB CC[C@H](CO)NCc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 20573390 ZDCBEIVNJXJLIB-QGZVFWFLSA-N 363.885 4.097 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 21273005 HGACHAVNAUNLPQ-UHFFFAOYSA-N 356.491 4.208 0 40 FIAB Cc1ccc(SCCNC(=O)CCc2ccc(N(C)C)cc2)cc1C 21974175 UWJYSFQTVFOUQS-UHFFFAOYSA-N 356.535 4.211 0 40 FIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@H]1CCCc2ccccc21 22019200 YAUJUHPGFQUCDG-INIZCTEOSA-N 354.475 4.212 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Cl 23080372 GEDFDGANAQFBLM-INIZCTEOSA-N 370.802 4.392 0 40 FIAB Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCCCC3)c(O)n2n1 23157696 IPUKUSIGHIRCDO-CQSZACIVSA-N 362.886 4.034 0 40 FIAB Cc1nc(NC(=O)c2cc3c(C)nn(C)c3s2)sc1-c1ccccn1 24032093 MWMNRRSVQYQHLV-UHFFFAOYSA-N 369.475 4.022 0 40 FIAB Cc1nn(-c2ccc(NC(=O)C3CCCC3)cc2)c(C)c1Br 27924778 NBUXEWNHEGBEBL-UHFFFAOYSA-N 362.271 4.380 0 40 FIAB O=C1c2ccccc2-c2nn(C[C@H](O)c3ccc(F)cc3)c3cccc1c23 28917176 MWESLIQGXNIHKV-IBGZPJMESA-N 358.372 4.120 0 40 FIAB C[C@@H]1CCC[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)[C@@H]1C 29373251 MJFMMCHSQSUGQZ-MDZRGWNJSA-N 354.450 4.194 0 40 FIAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccc(Br)o1 29673058 KKRIZLWIKJRTGX-UHFFFAOYSA-N 364.170 4.371 0 40 FIAB COc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1 32340233 HEKPFNWYZWXGFT-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB Cc1ccc(SCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 34862889 AKCBDWSVKOBXER-QILLFSRXSA-N 363.523 4.022 0 40 FIAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2snc(-c3cccc(F)c3)c2N1 35324529 UIIJQPBHBMYIBT-ZDUSSCGKSA-N 368.389 4.152 0 40 FIAB Cn1c(=O)c(/C=C/C(=O)Nc2cccc3ccccc23)cc2ccccc21 36625772 VKIRPNJQXOCLMT-BUHFOSPRSA-N 354.409 4.344 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2Cl)s1 39989158 CUEGMNZFRFMVLL-SECBINFHSA-N 357.888 4.100 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2Cl)s1 39989159 CUEGMNZFRFMVLL-VIFPVBQESA-N 357.888 4.100 0 40 FIAB O=C(/C=C/c1ccccn1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 40119592 AZRFSHBLZOGMQU-BUHFOSPRSA-N 358.401 4.378 0 40 FIAB COc1ccc(NC(=S)Nc2cccc(Br)c2)cc1F 44194755 FBVZVCKLCKDGQJ-UHFFFAOYSA-N 355.232 4.406 0 40 FIAB CCOc1cccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)c1 57313115 ZXSVNVWIPLZCBG-UHFFFAOYSA-N 365.458 4.069 0 40 FIAB CC(C)(C)[C@H](NC(=O)Nc1ccccc1-n1cncn1)c1cccs1 58086218 DRWLTIBHOGKCKO-MRXNPFEDSA-N 355.467 4.238 0 40 FIAB COc1ccc2nc(C)c(C(=O)Nc3cnc(-c4ccccc4)nc3)cc2c1 58441839 ZHFDMKFDNYVVPR-UHFFFAOYSA-N 370.412 4.261 0 40 FIAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nc(-c2ccccc2)c[nH]1 62582274 QDSKKFBXESWKOY-MRXNPFEDSA-N 359.473 4.375 0 40 FIAB CC(C)Cn1cc(C(=O)Nc2cccc3c2ccn3C)c2ccccc2c1=O 70666504 YTTSQFNJWADIQQ-UHFFFAOYSA-N 373.456 4.402 0 40 FIAB biogenic C[C@H]1CCCCN1CCNC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 71933059 FSCXHPNRBFYYQZ-AWEZNQCLSA-N 358.486 4.121 0 40 FIAB CCC1(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CCC1 75106916 KAEYHMDNWUEHEM-UHFFFAOYSA-N 353.462 4.471 0 40 FIAB CSc1ccc(NC(=O)Cc2ccn(-c3ccccc3)n2)cc1Cl 83992929 QRYMBAOCWSENPE-UHFFFAOYSA-N 357.866 4.429 0 40 FIAB CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccccc1F)c1ccccc1 84200495 AFAJMMIHYWXRNN-SFHVURJKSA-N 372.440 4.098 0 40 FIAB CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3cccnc3)[C@@H]1[C@H]2C 105366438 BPMYDYKKXHFZDO-IQFIKXPYSA-N 358.482 4.122 0 40 FIAB O=C(O)CCCCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1 165964817 NTMRNGALJKIXQQ-UHFFFAOYSA-N 352.386 4.484 0 40 FIAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1cccc2ccccc12 206701465 LYZCNCPYEPNMCO-HXUWFJFHSA-N 353.849 4.276 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219864513 GINQSLPQMZKFPI-LJQANCHMSA-N 366.505 4.104 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1C1CC1 222598730 YGDNRYJJWHXYCS-MJXNMMHHSA-N 352.507 4.424 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2ccccc2Cl)c2ccccc12 222612126 UVSWKOCBDPXDJO-LBPRGKRZSA-N 357.793 4.189 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223713965 YYOVZCGISFUSEJ-LJQANCHMSA-N 373.468 4.476 0 40 FIAB Cc1cc(NC(=S)NCc2ccccc2Cl)ncc1Br 223933529 PUQBVHKGVAXLKP-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224157150 PSXYCNJOJIWEDJ-INIZCTEOSA-N 361.869 4.228 0 40 FIAB Cc1ccc(CC(=O)NCc2cccc(CN3CCCCC3)c2)cc1C 224674609 FBBDZEBSFNRHOW-UHFFFAOYSA-N 350.506 4.148 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(F)c3)o2)c(OC)c1 224867079 QHKWUWLLBFYKNI-UHFFFAOYSA-N 370.380 4.069 0 40 FIAB CCC1(CC)C[C@@H](NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2O1 224887837 SAVCDBCGDYBMSE-OXQOHEQNSA-N 367.445 4.025 0 40 FIAB COc1cccc(C(=O)NCCSCc2cccc(Cl)c2)c1OC 225042880 XITYRKLAGWUMFF-UHFFFAOYSA-N 365.882 4.020 0 40 FIAB Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1 225269805 AJOYHCITCRUGAF-UHFFFAOYSA-N 363.442 4.339 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225754285 PDJQFWDIEOEEHT-OAHLLOKOSA-N 353.491 4.169 0 40 FIAB Fc1ccccc1Cc1cnc([C@H]2CCCN(Cc3ccccn3)C2)o1 257207106 BGJLUTUGNZSTSR-KRWDZBQOSA-N 351.425 4.179 0 40 FIAB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(Br)cc4)OCC[C@@]3(C2)[C@@H]1O 257275545 NPVMEXQSPSNULY-YGSJXBCNSA-N 351.284 4.324 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@@H]21)c1ccccc1 409374170 YAAFGUQUEQWLGZ-WKDRNLAYSA-N 355.437 4.390 0 40 FIAB C[C@@H](c1cccnc1)N1CCN(Cc2cc(Cl)cc3cccnc23)CC1 525122526 GBKIZTDNZTWIRZ-INIZCTEOSA-N 366.896 4.162 0 40 FIAB CC(C)(C)n1cc(CN2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cn1 535810569 QOIGIASEDXPHRO-OAHLLOKOSA-N 356.445 4.298 0 40 FIAB O[C@@]1(COc2cccc(Cl)c2)CCCN(Cc2ccc3[nH]ccc3c2)C1 585272610 OEQZRUWCBIJXDW-NRFANRHFSA-N 370.880 4.227 0 40 FIAB O=C(NCC1(C2CCCCC2)CCCCC1)[C@H]1CC(c2cccnc2)=NO1 1583931757 SKCFXWGOCNNXEE-HXUWFJFHSA-N 369.509 4.222 0 40 FIAB CC[C@@H]1CCc2nc(O)c(C(=O)NCc3cc4ccccc4s3)cc2C1 1641414261 MHCWNRDMKSTSTM-CYBMUJFWSA-N 366.486 4.447 0 40 FIAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCCCCC1 1052836 QGQVDYFINUVEQS-UHFFFAOYSA-N 372.446 4.148 0 40 FIAB O=C1O[C@@H](c2ccccc2)[C@](O)(c2ccccc2)N1Cc1cccs1 1422467 LUOUFCILZDDTNK-AZUAARDMSA-N 351.427 4.287 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccccc1C(F)(F)F 1941386 CWEBJLGLKFJYRO-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 2391936 ULACOYVYZRYLCW-UHFFFAOYSA-N 355.854 4.239 0 40 FIAB O=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)on1 2465535 KPPKCICMSNYFAP-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccc(Cl)cc3)n2n1 2968889 OFPJXJVKUORMPG-UHFFFAOYSA-N 368.849 4.214 0 40 FIAB Cc1nn2c(nc(Sc3nc4ccccc4o3)c3ccccc32)c1C=O 3178728 XIQBJXUQRSIMNH-UHFFFAOYSA-N 360.398 4.296 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)c1 3235522 SUPBCMVKDWKQMO-UHFFFAOYSA-N 367.779 4.339 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccccc2)o1)c1ccccc1 3556697 PUVXJRNREQZGOF-CQSZACIVSA-N 353.447 4.270 0 40 FIAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccs1 4036375 VBJJRZFKAFPTCX-UHFFFAOYSA-N 373.484 4.221 0 40 FIAB CC1=NN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)[C@@](O)(C(F)(F)F)C1 4178788 VPTWTDJFBDZDRX-KRWDZBQOSA-N 372.387 4.112 0 40 FIAB CCN(CC)CCCN(C(=O)C1CC1)c1nc(-c2ccccc2)cs1 4188910 KWLPVODHBSDZQU-UHFFFAOYSA-N 357.523 4.285 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc(C(F)(F)F)c1)C(=O)O 4241125 WXGUGSIKOXDJSI-QGZVFWFLSA-N 373.371 4.102 0 40 FIAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)n2ncnc2N1 4597995 YEALNUGCLYQSFE-QGZVFWFLSA-N 372.856 4.096 0 40 FIAB COC(=O)c1cc(NC(=O)CSCc2ccccc2C)ccc1Cl 4685340 NMCLFRFEOMMBRX-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 5099367 LEPWNLQTRGZRTI-UHFFFAOYSA-N 360.413 4.433 0 40 FIAB Cc1cccc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)c1 5212771 GAVHUOJBHRSVFO-UHFFFAOYSA-N 355.488 4.219 0 40 FIAB COc1ccc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1 5680856 PTUMKAISTGFHKC-UHFFFAOYSA-N 365.429 4.015 0 40 FIAB CCCCCn1c(O)c(C(=O)Nc2ccccc2)c(=O)c2ccccc21 5826141 SUHYUZMRZPYIQH-UHFFFAOYSA-N 350.418 4.150 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CCSc2ccccc2)cc1Cl 5991257 CAABSBAIIHGGMV-UHFFFAOYSA-N 363.866 4.313 0 40 FIAB Cc1cc(C)c(C(=O)CSc2nnc(C)n2-c2ccccc2)cc1C 6043997 ADDMTIRFIPWTBZ-UHFFFAOYSA-N 351.475 4.476 0 40 FIAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(Cl)cc2)C1=O 6112850 XUXDMKKOMXBTRF-NRFANRHFSA-N 364.832 4.460 0 40 FIAB Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 6151994 HYCDSPCEIMDVDW-NRFANRHFSA-N 358.441 4.495 0 40 FIAB COc1ccc(CN(C)Cn2nc(C)n(-c3ccc(C)cc3)c2=S)cc1 6209135 OZNYFPSQSOJFAH-UHFFFAOYSA-N 368.506 4.118 0 40 FIAB COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 6424823 GRVKPDKFYDUZDS-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB O[C@H](COc1ccccc1Cl)CN1CCC(Cc2ccccc2)CC1 6495869 TYLAYNRUPNUTDX-IBGZPJMESA-N 359.897 4.034 0 40 FIAB CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C(C)=O)cc1 6541804 QNQKNOUEAZFKHT-UHFFFAOYSA-N 359.809 4.153 0 40 FIAB CC(C)Cn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 6752606 QPVVVBFNZPALOG-OAHLLOKOSA-N 351.425 4.352 0 40 FIAB CCC[C@@H](C(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 7490996 OPFHLKHPOBKIRI-HXUWFJFHSA-N 350.462 4.014 0 40 FIAB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3ccccc3)C2=O)cc1C 7575809 TXADJOPVMXJIPV-DEOSSOPVSA-N 370.452 4.299 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 7792347 YNOMAUODUKASMY-UHFFFAOYSA-N 368.216 4.106 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7882460 MVDCSOMVIXIFFZ-SFHVURJKSA-N 372.424 4.034 0 40 FIAB Cc1cccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1C 7929088 DDILQXKEMFQHLY-SFHVURJKSA-N 359.425 4.415 0 40 FIAB O=C(NCc1cccc(Cl)c1)c1ccc(Cl)cc1N1CCCC1=O 7952549 XIXIPFLZLZCPFE-UHFFFAOYSA-N 363.244 4.050 0 40 FIAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 8085879 CTOSVVLIAZXGMH-KRWDZBQOSA-N 366.461 4.028 0 40 FIAB COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CCSc3ccccc32)c1 8328525 GBHNLGZJDNHEAB-KBXCAEBGSA-N 356.491 4.239 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Oc3cc(C)ccc3C)o2)cc1 8587358 MCTSGEKOYFQVEG-UHFFFAOYSA-N 370.430 4.060 0 40 FIAB Cc1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8915793 KHIQGIXEWLEYBJ-IBGZPJMESA-N 373.880 4.235 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9076763 PIBAREOIVHGLCK-INIZCTEOSA-N 360.360 4.105 0 40 FIAB O=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9134790 UFWOLTFHYQYFFP-UHFFFAOYSA-N 350.399 4.287 0 40 FIAB CCCOc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 9991907 DMBWTYQERJQFLQ-UHFFFAOYSA-N 352.478 4.001 0 40 FIAB COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cccc(O)c3)C[C@H]21 10216046 HXNLCIWLBFJBPL-KNQAVFIVSA-N 373.412 4.038 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(C)cc3)CC2)cc1 10464540 JEVQACVVIDGYMK-UHFFFAOYSA-N 352.434 4.130 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)c(C)c1 11615814 QXQCDHXUXJSBOD-UHFFFAOYSA-N 373.430 4.165 0 40 FIAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)cc1 11914934 SHIDMHPEMZJLTR-UHFFFAOYSA-N 369.377 4.351 0 40 FIAB Cc1c(C)n(C[C@H](O)CN2CCc3ccccc3C2)c2c(Cl)cccc12 12421945 KJHUKAGUFJNVSH-LJQANCHMSA-N 368.908 4.331 0 40 FIAB CCOc1cc(C(=O)Nc2ncc(C)s2)ccc1OCc1ccncc1 12538208 IFZRJGDVRLPBSV-UHFFFAOYSA-N 369.446 4.077 0 40 FIAB CC(=O)NCc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 12680864 LSWJGAFEAYCTGC-UHFFFAOYSA-N 360.413 4.367 0 40 FIAB CCC(C)(C)NC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12860462 PENQUGXAVRVQFM-UHFFFAOYSA-N 355.463 4.287 0 40 FIAB CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 14201206 VDRZNYKWBKSBIZ-UHFFFAOYSA-N 371.506 4.033 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCc1ccncc1)CC2 15447172 MQGXWJNDVZGRDM-DEOSSOPVSA-N 374.484 4.289 0 40 FIAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1cccs1 16850306 PYRRJXIGTMAZBY-UHFFFAOYSA-N 363.895 4.461 0 40 FIAB O=c1ss/c(=N\c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 18118398 QCICGJDACRBGMM-LGMDPLHJSA-N 355.271 4.500 0 40 FIAB CCN(C)[C@H]1CN(C(=O)c2cccc3cccnc23)C2(CCCCC2)C1 19704015 WFDBYTRXIPMTHK-GOSISDBHSA-N 351.494 4.104 0 40 FIAB CCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)c2cc(C)ccc21 22234789 XCMNKMZWSMUPCX-FQEVSTJZSA-N 360.457 4.137 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)cc1 23073494 STFQCBKQMICKSO-GOSISDBHSA-N 354.841 4.299 0 40 FIAB Cc1c(Cl)cccc1NC(=O)Cc1cc(-c2ccc3c(c2)OCO3)on1 23127326 CNPYJDJRMKRUNC-UHFFFAOYSA-N 370.792 4.213 0 40 FIAB Cc1cc(CN(C)C(=O)COc2ccc(-c3ccccc3)cc2Cl)no1 25137407 NIBLUSWTMCLBBL-UHFFFAOYSA-N 370.836 4.341 0 40 FIAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(C)cc2C)cc1 26311291 VUNGEBBHVQZZLM-GOSISDBHSA-N 374.550 4.185 0 40 FIAB COc1ccc(Oc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1 27752633 UUKQDQLIUMFHAQ-UHFFFAOYSA-N 371.396 4.197 0 40 FIAB COc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1cccc(C(F)(F)F)c1 30524452 VKWDHUORXONJLD-GFCCVEGCSA-N 373.396 4.096 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N1CCN(c2cccc(C)c2C)CC1 30850991 ZEKGKDKNYZKLEB-NRFANRHFSA-N 366.505 4.118 0 40 FIAB Cc1ccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cc1Cl 31546986 BIGJBBMRLJJDPA-UHFFFAOYSA-N 356.853 4.413 0 40 FIAB CCN(Cc1cccs1)C(=O)NCCSCc1ccccc1F 40071159 PJFPCOGRWOEXEI-UHFFFAOYSA-N 352.500 4.352 0 40 FIAB Cc1sc2ncnc(SCCC(=O)NCCc3ccccc3)c2c1C 40283641 HWAKTBCPCSJRQQ-UHFFFAOYSA-N 371.531 4.149 0 40 FIAB CC(C)(C)c1ccc(Br)c(S(=O)(=O)N2CCCCCC2)c1 41105648 OOGZNEYBHKUXBG-UHFFFAOYSA-N 374.344 4.311 0 40 FIAB OC1CCN(c2ccccc2NCCOc2ccc3ccccc3c2)CC1 55887702 YKOXFRQTBGAGKJ-UHFFFAOYSA-N 362.473 4.292 0 40 FIAB COc1ccc2oc(C)c(C(=O)Nc3cc(F)c(F)cc3NC(C)=O)c2c1 58192683 IXCBEAJMOJJTIO-UHFFFAOYSA-N 374.343 4.239 0 40 FIAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)cc1 59331990 SOQYSGHSJPZFJU-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)NC(C)(C)C)n2)c1 64579590 IINITJOWBFDCJA-UHFFFAOYSA-N 365.433 4.006 0 40 FIAB Cc1noc([C@@H]2CCCN(C(=O)N[C@H](C)c3oc4ccccc4c3C)C2)n1 69439938 XAHMTNKNIJOEHS-UKRRQHHQSA-N 368.437 4.083 0 40 FIAB Cc1ccccc1OCCCN1CC[C@H](c2nc(-c3ccccc3)no2)C1 72369841 WPNXCZUFVJOKTE-IBGZPJMESA-N 363.461 4.303 0 40 FIAB Cc1noc2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc(C(F)F)c12 72390185 DHZADJLRYYOJKO-CQSZACIVSA-N 358.392 4.243 0 40 FIAB O=C(CCc1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165867 SPKLWPJLZXQOQW-VQTJNVASSA-N 366.461 4.295 0 40 FIAB O=C(c1cc(F)cc(F)c1)N(Cc1ccccc1)C[C@H](O)c1ccsc1 79094174 DPAXUKHTOVFHJV-IBGZPJMESA-N 373.424 4.402 0 40 FIAB O=C(CCCc1ccccc1)NCC1(Sc2ccccc2)CCOCC1 96118999 UFNNBEDIFBRJRC-UHFFFAOYSA-N 369.530 4.467 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(F)cc(F)c1 96170733 UJQZGHSRCBWTOH-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB CN(C(=O)c1ccc2ccccc2n1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 97112082 UWSWSPFTXYZBJW-RXVVDRJESA-N 364.420 4.366 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CCCc3cc(C(=O)O)sc32)CC1 98181484 DIFPCRGPPHYMCY-UHFFFAOYSA-N 351.468 4.051 0 40 FIAB CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 98211313 AZJVBERLAXZNNZ-UHFFFAOYSA-N 372.428 4.406 0 40 FIAB C[C@@H](Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccccc1 100391444 WBDLWPXLYBRVFY-XMWJODTMSA-N 359.425 4.138 0 40 FIAB COc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1-c1ccccc1 113896134 IOUVDTPNEUXQSA-HXUWFJFHSA-N 361.445 4.453 0 40 FIAB O=C(Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)C1(c2cccc(F)c2)CC1 115055690 HOAXABIWXYJDLP-UHFFFAOYSA-N 362.408 4.159 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222735545 VVYVHDCNABHSBB-VQIMIIECSA-N 369.461 4.109 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 224042741 JETPMEHEQKFTPS-MRXNPFEDSA-N 361.869 4.228 0 40 FIAB CCC1(CC)C[C@H](NC(=O)COc2ccccc2OC)c2ccccc2O1 224266406 IEXPGAZRKBBQPU-KRWDZBQOSA-N 369.461 4.273 0 40 FIAB O=C(NCc1ccccc1CN1CCCC1)C1(c2ccccc2)CCCC1 224802954 YFMZIIQEXWARBN-UHFFFAOYSA-N 362.517 4.411 0 40 FIAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)N[C@@H](C)CC 225612536 FOXXMCLIMDGXCM-WMLDXEAASA-N 352.906 4.162 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225754920 OWVTUKZVJIKGCZ-OAHLLOKOSA-N 353.491 4.169 0 40 FIAB OCCOc1ccc(C(c2ccc(OCCO)cc2)C2CCCCC2)cc1 255188361 JOBYNNDGISSLNZ-UHFFFAOYSA-N 370.489 4.141 0 40 FIAB CC(C)[C@H](C(=O)NC(C)(C)C)N(C(=O)c1ccccc1)[C@H](C)c1ccco1 255188526 KJLFDBSOVIPOJE-VQIMIIECSA-N 370.493 4.422 0 40 FIAB COCCNC(=S)c1cccc(OCc2c(Cl)cccc2Cl)c1 408577186 RTNMPRLGDNQWSB-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB Cc1cc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)no1 408672280 NGQWLKGOWFDDBW-UHFFFAOYSA-N 365.987 4.397 0 40 FIAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 408703609 UQABFIBLFGSZEW-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB Cc1cc(C)cc(CSCC(=O)N2CCN(c3ccccc3F)CC2)c1 408920830 OQTOVVPHTISAIB-UHFFFAOYSA-N 372.509 4.025 0 40 FIAB O=C(CSCc1cccc(Cl)c1)NCCSCc1ccco1 408925173 KSDAPXHKXAIULK-UHFFFAOYSA-N 355.912 4.216 0 40 FIAB CCOc1ccc(-n2c(C)nnc2SCCOc2ccc(C)cc2)cc1 409102316 YUCOUETTZXBIQL-UHFFFAOYSA-N 369.490 4.454 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)cc1 409246934 LIDLWORXMXRBIN-MHWRWJLKSA-N 360.335 4.107 0 40 FIAB CC1=C(C)C[C@H]2C(=O)N(CCOc3cc(C)ccc3C(C)(C)C)C(=O)[C@@H]2C1 409379192 VOPRDSAVQKACCE-QZTJIDSGSA-N 369.505 4.403 0 40 FIAB CC(C)[C@H](C(=O)Nc1ccc2[nH]ccc2c1)N1C(=O)C[C@H]1c1ccccc1 575442816 CHVJFUMDBXCWHP-PZJWPPBQSA-N 361.445 4.105 0 40 FIAB Cn1nccc1-c1cncc(CNC(=O)c2ccc(-c3cccs3)cc2)c1 575617542 WTEYUWAKBFXFST-UHFFFAOYSA-N 374.469 4.141 0 40 FIAB CN(C)CCN(Cc1cccnc1)Cc1ccc(Oc2ccccc2)o1 585084473 SYFXGOWVGNRJEK-UHFFFAOYSA-N 351.450 4.031 0 40 FIAB Cc1nnc(COc2cccc(OC(F)(F)F)c2Br)s1 629253154 XQHZJOARPYSOED-UHFFFAOYSA-N 369.162 4.087 0 40 FIAB C[C@@H](OC(=O)c1cccc2ncccc12)c1ncccc1Br 1129689339 OOWAMRGTOHHGGB-LLVKDONJSA-N 357.207 4.310 0 40 FIAB CC(C)=CCCn1c(-c2cccnc2)nnc1N1CCC[C@@H]2CCC[C@H]21 1706207933 WEUBYEWDCAZAQH-PKOBYXMFSA-N 351.498 4.465 0 40 FIAB COc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1OC(C)C 662673 FOCPXYRIEVJFAS-CXUHLZMHSA-N 371.820 4.480 0 40 FIAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 783819 RUXCEHLWHWZSKZ-JOCHJYFZSA-N 351.446 4.026 0 40 FIAB Clc1ccc2nc(NCCN3CCCC3)nc(-c3ccccc3)c2c1 813259 MWFMSIGDFXPXFL-UHFFFAOYSA-N 352.869 4.458 0 40 FIAB O=C1N(CCOc2ccccc2)CCN1c1cccc(C(F)(F)F)c1 1393762 NQBFMKAICGEEBN-UHFFFAOYSA-N 350.340 4.026 0 40 FIAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2cccnc2)cc1 2380043 VMSYAOFCEAMPBF-FNZWTVRRSA-N 374.421 4.091 0 40 FIAB CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2459558 DSAYHCOBZZOFGK-SNVBAGLBSA-N 352.912 4.425 0 40 FIAB Cc1cc(C)c2nc(NC(=O)c3cc4ccccc4oc3=O)sc2c1 3181115 HNWRMYAVMKEKBT-UHFFFAOYSA-N 350.399 4.272 0 40 FIAB COC(=O)c1ccc(COC(=O)Cc2c(Cl)cccc2Cl)cc1 3253968 FDTFALCVTJHVFV-UHFFFAOYSA-N 353.201 4.066 0 40 FIAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccccc1-c1ccccc1 3444373 RZKHWBFYDQKLNU-UHFFFAOYSA-N 360.413 4.330 0 40 FIAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3ccccc3F)C2)cc1 3865003 SZTDMEJNIPHWKA-IBGZPJMESA-N 368.408 4.067 0 40 FIAB O=C(Cc1ccccc1)NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1 4315803 TYRXFNLMGWRPNG-UHFFFAOYSA-N 371.893 4.181 0 40 FIAB Cc1cccc(NC(=O)CCN2C(=O)S/C(=C/c3ccccc3)C2=O)c1 4464131 KXZSTLNFVIOBTQ-GHRIWEEISA-N 366.442 4.060 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(CO)cc1 5107230 SCVPMZHIFQHXNL-UHFFFAOYSA-N 369.461 4.221 0 40 FIAB COc1ccc(CNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 5404430 SHQHVERAMWNFGH-UHFFFAOYSA-N 372.877 4.331 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1 5434612 ONTURRLYHBRSIS-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CCN(C(=O)COC(=O)c1ccc(F)cc1F)c1cccc2ccccc12 5505886 KJFIHSVWDQGHPE-UHFFFAOYSA-N 369.367 4.328 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1c(F)cccc1F 6320912 LWBAKONXMGZQSA-UHFFFAOYSA-N 374.368 4.112 0 40 FIAB CCN(Cc1ccccc1)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 6325629 FOZUHRZVYREPSW-NEUFXUDDSA-N 371.565 4.493 0 40 FIAB COc1cccc(OC)c1C(=O)OCC(=O)c1ccc(C(C)(C)C)cc1 7183456 FJFADTCPVARUST-UHFFFAOYSA-N 356.418 4.041 0 40 FIAB Cc1ccc(NC(=S)NCc2ccccc2CN2CCCCC2)cc1 7404773 FTSQRMCSQDPJKT-UHFFFAOYSA-N 353.535 4.468 0 40 FIAB CC(=O)Nc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cc1 7748737 BYNLGTWSDIPZDW-NTCAYCPXSA-N 358.397 4.378 0 40 FIAB Cc1cc(NC(=O)CCCNC(=O)OC(C)(C)C)ccc1Br 8076769 OCSSCYFJQYURAM-UHFFFAOYSA-N 371.275 4.001 0 40 FIAB O=C(c1ccc(OCCOc2ccccc2)cc1)N1CCc2ccccc21 8105435 RKDBWAFOMBSBTC-UHFFFAOYSA-N 359.425 4.347 0 40 FIAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nnc(C(C)C)s1 8117150 QXMNMOFBSDBILF-UHFFFAOYSA-N 353.875 4.421 0 40 FIAB Cc1ccc2c(CC(=O)Nc3ccccc3N3CCOCC3)coc2c1C 8156714 UCUJPOJWLXSBCJ-UHFFFAOYSA-N 364.445 4.067 0 40 FIAB COc1ccccc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 8215256 XKOYTPXDOWNTRR-MDWZMJQESA-N 362.385 4.192 0 40 FIAB COc1ccc(CNC(=O)c2sc(-c3cccs3)nc2C)cc1OC 8276482 OLAIFIUWTUZZOU-UHFFFAOYSA-N 374.487 4.127 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1Br 8327171 CVNQJTPNAXNRSP-UHFFFAOYSA-N 372.222 4.070 0 40 FIAB CCOc1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)cc1 12973346 POVZVPFCNVCGDM-UHFFFAOYSA-N 354.431 4.226 0 40 FIAB COc1cccc(-n2c(S)nnc2COc2cccc3ccccc23)c1 13535156 DYGIFWVRKPKARU-UHFFFAOYSA-N 363.442 4.297 0 40 FIAB C[C@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1 14021842 ORTBSVIBWQWRPR-CYBMUJFWSA-N 365.458 4.438 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 14024287 XYHHQXLZVNKMPK-SFHVURJKSA-N 354.450 4.011 0 40 FIAB Cc1csc(N(C(=O)CCc2ccc3c(c2)OCO3)c2ccccc2)n1 14701994 FXPLAJDXSLMAQW-UHFFFAOYSA-N 366.442 4.478 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1Cc2ccccc2O1 15588276 QHFYRGPPXJKYAQ-QGZVFWFLSA-N 365.351 4.436 0 40 FIAB CCc1ccc(-n2nnc(C(=O)OCc3cccc(Cl)c3)c2C)cc1 16841501 YXEPTURWXFWUJB-UHFFFAOYSA-N 355.825 4.149 0 40 FIAB Cc1nc(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2c(C)c(C)sc2n1 18164096 IKXMQHDZAFPDIS-PHIMTYICSA-N 363.552 4.213 0 40 FIAB CCOc1ccc(C)cc1-c1csc(NC(=O)CC[C@@H]2CCCO2)n1 19519872 GVOSFKULBGPKQO-AWEZNQCLSA-N 360.479 4.415 0 40 FIAB CN(Cc1ccc2ncccc2c1)Cc1cc(-c2ccccc2)c[nH]c1=O 19586450 SDBPQVULBOCLED-UHFFFAOYSA-N 355.441 4.222 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140433 DCOAPAWHYMDLRK-LBPRGKRZSA-N 372.425 4.349 0 40 FIAB CC(=O)Nc1cc(N[C@@H](C)C(=O)Nc2cccc(Cl)c2C)ccc1F 24978904 AGRZHMYKTSKMIA-NSHDSACASA-N 363.820 4.185 0 40 FIAB Cc1cc(NC(=O)[C@H](Sc2ncc3ccccn23)c2ccccc2)no1 31634311 BGSUBYQNRGTMJX-QGZVFWFLSA-N 364.430 4.103 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c1C 31710570 CWHZIPVDDUAVHP-QGZVFWFLSA-N 368.477 4.095 0 40 FIAB COc1ccc(CCNC(=O)c2sc(Cc3ccccc3)nc2C)cc1 31867920 TWEWYQWHLNGFQN-UHFFFAOYSA-N 366.486 4.023 0 40 FIAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCCC1 31903996 ZUPZLYALMDTKIX-UHFFFAOYSA-N 353.528 4.437 0 40 FIAB CC(C)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)c2ccccc2n1 32741245 KDNNPATUORLBDY-UHFFFAOYSA-N 362.429 4.059 0 40 FIAB CCCCCc1nnc(NC(=O)c2cc(-c3ccccc3OC)on2)s1 32830386 SDLRDXJWQGPJHA-UHFFFAOYSA-N 372.450 4.187 0 40 FIAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(-c2cccc(Cl)c2)on1 32830390 HWYQBDFZNCFKFM-UHFFFAOYSA-N 366.808 4.144 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c1 32890031 XLQAHZJHUQXUQR-NUJGCVRESA-N 357.523 4.356 0 40 FIAB COc1ccc(S(=O)(=O)N(Cc2ccc(C)cc2)c2ccccc2)cc1 36148705 LAGXTKPURKJHGT-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB CC(C)(C)SCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 39773078 YDSDYLMRSLUOOJ-UHFFFAOYSA-N 368.974 4.200 0 40 FIAB COc1ccc(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1OC 40056845 FYTSIMOKTRSWMU-CQSZACIVSA-N 353.418 4.212 0 40 FIAB CCC(CC)N(CCOC)C(=O)c1cccc(NC(=O)c2cccs2)c1 40139173 LXICCUWKMIXTKQ-UHFFFAOYSA-N 374.506 4.278 0 40 FIAB Cc1cccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)n1 40144011 FMAASOFFMPKQNO-UHFFFAOYSA-N 363.465 4.328 0 40 FIAB O=C(Cn1c([C@H]2CCCO2)nc2ccccc21)Nc1ccccc1Cl 40307655 KCLGPMSYYJZTPO-QGZVFWFLSA-N 355.825 4.180 0 40 FIAB O=C1C[C@@H](C(=O)N(Cc2ccco2)c2cccc(F)c2)c2ccccc2N1 45514798 HIYAQQCSFANZPK-GOSISDBHSA-N 364.376 4.078 0 40 FIAB Cc1sc(-n2cccc2)c(C(=O)Nc2ccc(-c3nnco3)cc2)c1C 47256459 CZNWCIXXZUEZJQ-UHFFFAOYSA-N 364.430 4.458 0 40 FIAB O=C(c1ccccc1F)N1CCC(Nc2nc3ccccc3s2)CC1 52243743 HYRZPDIESVYWDQ-UHFFFAOYSA-N 355.438 4.152 0 40 FIAB O=C(NCc1cccs1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 52954587 UFMDRYIQLCOSDN-UHFFFAOYSA-N 369.408 4.132 0 40 FIAB COCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 55742701 UGKXDXDODMKXFZ-UHFFFAOYSA-N 366.461 4.102 0 40 FIAB Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCCCC3)CC2)n1 57237533 WAIIKRUDQNKWFY-UHFFFAOYSA-N 371.456 4.125 0 40 FIAB CC(C)c1nccn1Cc1cccc(NC(=O)Cc2noc3ccccc23)c1 58202071 SKLOGBCMSFAZOD-UHFFFAOYSA-N 374.444 4.377 0 40 FIAB O=C(Nc1ccc(F)cc1F)N1CCc2cc(Br)ccc21 58331234 YDVSDLVEIFLELH-UHFFFAOYSA-N 353.166 4.322 0 40 FIAB Fc1ccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)cc1 67261407 LSWRZZBHTHOBHL-UHFFFAOYSA-N 359.364 4.289 0 40 FIAB C[C@H]1CCCCN1CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 69516727 WHRAIPWGUZXPNX-INIZCTEOSA-N 353.510 4.041 0 40 FIAB O=S(=O)(Cc1ccccc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 72274801 SAGHRGUDDLYRSX-UHFFFAOYSA-N 369.408 4.200 0 40 FIAB O=C(c1cc(F)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 72331381 BRAONEKNOOGWAL-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72378948 FCEXRPORSZAQFA-SFHVURJKSA-N 352.482 4.244 0 40 FIAB Cc1nn(Cc2nc(-c3ccc(N4CCCCC4)cc3)no2)c(C)c1Cl 73145004 RHLVVFRARHTZCJ-UHFFFAOYSA-N 371.872 4.242 0 40 FIAB O=C(NC[C@@H]1CCCO1)N[C@H](CCCc1ccccc1)c1ccccc1 75572175 SUJVDMIOVGHLDG-LEWJYISDSA-N 352.478 4.229 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)Nc2cnc(C(C)(C)C)nc2)c1 84325239 ZCTXHQICXUGDHZ-KRWDZBQOSA-N 354.454 4.152 0 40 FIAB O=C(NCc1ccnc(N2CCCCCC2)c1)C12CC3CC(CC(C3)C1)C2 89884787 OULVGBKMPOHDNU-UHFFFAOYSA-N 367.537 4.295 0 40 FIAB CC(C)N(C)Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1 95396460 WXNKBJPVPSVNKL-UXHICEINSA-N 372.459 4.225 0 40 FIAB CC(C)c1cccc(O[C@H](C)C(=O)NCc2cccc(-c3ncc[nH]3)c2)c1 95464771 LRCLOVPOGDVABC-MRXNPFEDSA-N 363.461 4.284 0 40 FIAB COc1cc([C@@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)ccc1O 95478833 YWCVDAPYNXAVAI-SFHVURJKSA-N 367.430 4.011 0 40 FIAB Cc1nc(NC(=O)OC(C)(C)C)sc1-c1ccnc(C(C)(C)CN)c1 95629723 CAESQZXQAISLSH-UHFFFAOYSA-N 362.499 4.097 0 40 FIAB CC1(C)C[C@@H](N(Cc2ccccc2)Cc2cccc(C(N)=O)c2)C(C)(C)O1 95992214 PMYLGGIJUSQJKN-HXUWFJFHSA-N 366.505 4.134 0 40 FIAB COc1ccc(C(=O)N[C@H](C)COc2ccc(Cl)cc2)cc1Cl 96346754 PUIXKOOHYNMBDK-LLVKDONJSA-N 354.233 4.199 0 40 FIAB COc1ccccc1-c1c(-c2ccc(O)cc2O)n[nH]c1C(F)(F)F 96793144 QMQLKXZRLSKARP-UHFFFAOYSA-N 350.296 4.182 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\Nc3ccncc3)c3ccccc3C2=O)cc1C 102305302 OPHJAMWKYMSGEX-STZFKDTASA-N 369.424 4.338 0 40 FIAB C[C@H](NC(=O)c1ccc(OCc2cccnc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 105717778 YRZNUHQVFWQOSY-UGJIMAENSA-N 350.462 4.215 0 40 FIAB O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCc2ccccc2C1 216294326 OSOLXNKYAAHRDH-UHFFFAOYSA-N 368.480 4.448 0 40 FIAB Cc1cc(OCC(=O)N2CCc3ccccc32)cc(C)c1Br 218838972 QXASCCDESROAGS-UHFFFAOYSA-N 360.251 4.034 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2ccc(Cl)c(C)c2)cc1 218940055 QDJRUOWJQAAABH-UHFFFAOYSA-N 361.869 4.175 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 222867059 VXXRNNSYSQRGBI-MOPGFXCFSA-N 369.461 4.271 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCN2CCC[C@@H](C)C2)c1 223339245 ZSRULTRFQGDXPX-MOPGFXCFSA-N 360.542 4.124 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)c(C)c1 223457944 KYQBCAYQZXDDHS-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB COCc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 224332206 TVVNOPNNUGXONR-UHFFFAOYSA-N 352.478 4.317 0 40 FIAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COCC(C)C 224741460 WHXIVZKPUQKCRE-UHFFFAOYSA-N 371.477 4.197 0 40 FIAB Fc1ccc(NC(=S)NCCSCc2ccccc2F)cc1F 225413040 KHQYUUZUCLOVTP-UHFFFAOYSA-N 356.438 4.324 0 40 FIAB O=C(c1ccccc1Cl)N1CC[C@H](Oc2ccc3ccccc3n2)C1 225737812 JDDZNBLOHGTLOD-HNNXBMFYSA-N 352.821 4.182 0 40 FIAB CC(C)n1nccc1-c1cc(CC2CCN(C(=O)C(C)(C)C)CC2)ccn1 257208242 BLHMHIUOOYBANX-UHFFFAOYSA-N 368.525 4.353 0 40 FIAB CC(C)C(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4F)OCC[C@@]31C2 257303031 SFMZZAXQSNQNLI-JIFMIUSNSA-N 359.485 4.480 0 40 FIAB CC(C)Oc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260778627 RVVSIUFNBHNXLG-NIKGAXFTSA-N 353.491 4.458 0 40 FIAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 408613585 YMHSGIQUSCWWHE-AWEZNQCLSA-N 373.305 4.130 0 40 FIAB Brc1cccnc1N1CCC(c2c[nH]c3ncccc23)CC1 553000696 VMQNJQFSIJQUSI-UHFFFAOYSA-N 357.255 4.104 0 40 FIAB O=C(NCC[C@H](CCO)c1cccs1)C1(c2cccs2)CCCC1 575608199 QRZUHMXMEXZZSD-OAHLLOKOSA-N 363.548 4.294 0 40 FIAB Cn1cc([C@H]2CCCN(C(=O)NC(c3ccccc3)c3ccccc3)C2)cn1 1775966340 YZXCJMMRURKPLN-FQEVSTJZSA-N 374.488 4.099 0 40 FIAB Cc1ccc([C@@]2(C(F)(F)F)N=C3Sc4ccccc4N3C(=O)N2)cc1 844069 RFELBRCWUOGZAB-INIZCTEOSA-N 363.364 4.402 0 40 FIAB COc1cc(NC(=O)c2ccc(C)c(C)c2)ccc1NC(=O)c1ccco1 917701 APCNRHRSSHPIEO-UHFFFAOYSA-N 364.401 4.410 0 40 FIAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3F)nc1-2 981618 WCPCVFBOTJXJFE-UHFFFAOYSA-N 354.406 4.309 0 40 FIAB C[C@@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2cccc(Cl)c2)S1 1044132 RWODDYGKQAYRDC-GFCCVEGCSA-N 360.870 4.260 0 40 FIAB S=C(Nc1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 2623507 UENQFCQVQAGWGN-UHFFFAOYSA-N 359.926 4.291 0 40 FIAB CCCCn1c([C@H](C)NC(=O)c2ccccc2OC)nc2ccccc21 2721318 BERROHJDMYVLOM-HNNXBMFYSA-N 351.450 4.336 0 40 FIAB Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)cc1F 2787350 QEPKARSFNGVRNC-UHFFFAOYSA-N 359.788 4.273 0 40 FIAB FC(F)Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 2796782 SWSZNEIPOLUTLO-UHFFFAOYSA-N 372.400 4.486 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)Cc2c(F)cccc2Cl)cc1 3296390 IFRHAOJARMLELI-UHFFFAOYSA-N 363.816 4.327 0 40 FIAB CC[C@H](C)NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3461196 QFQXDDRXCOFQJC-ZDUSSCGKSA-N 368.458 4.035 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1Cl 3497378 BVDGAXYGRPIGEP-UHFFFAOYSA-N 370.792 4.099 0 40 FIAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)OCCO2 3503898 PGNRAIRMIGYEIL-LLVKDONJSA-N 372.471 4.187 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)n2C)cc1 4130222 BYKJSMQQSSYTEJ-CQSZACIVSA-N 358.511 4.291 0 40 FIAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N(C)C)CC[C@H](C)C2 4551025 KFCICULNGXERTH-LBPRGKRZSA-N 356.491 4.135 0 40 FIAB CN(C)CCCN(C(=O)/C=C/c1ccccc1)c1nc2ccccc2s1 4585323 CEIQDGGVIWXZKW-BUHFOSPRSA-N 365.502 4.294 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccoc1C 4860386 HJBOZMGOVSUQGO-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 6559138 ZHDLBWMQMVZCMS-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(OC)c(Cl)c2)n1 6810446 XLJKFQMEPAXHGG-UHFFFAOYSA-N 358.250 4.156 0 40 FIAB CC(C)c1ccccc1NS(=O)(=O)c1cccc(Br)c1 6919561 SLTZHSVKHZETEO-UHFFFAOYSA-N 354.269 4.373 0 40 FIAB CN(Cc1ccccc1F)C(=O)c1cccc(NC(=O)c2cccs2)c1 7312615 ASMXNJIGUUHVAB-UHFFFAOYSA-N 368.433 4.412 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3cc4c(s3)CCCC4)cc2)CC1 7719205 HEASTNHKRBKEBH-UHFFFAOYSA-N 369.534 4.021 0 40 FIAB CCOc1cc2c(cc1CNC(=O)[C@H](CC)c1ccccc1)O[C@H](C)C2 7814325 JPYUKBUPENVCRC-DNVCBOLYSA-N 353.462 4.219 0 40 FIAB CCc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1 8062713 UAZOQPKZNZOPOQ-HXUWFJFHSA-N 371.477 4.402 0 40 FIAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2=O)cc1 8085656 PXYHPALSELJHBI-UHFFFAOYSA-N 363.244 4.050 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCCO2 8394257 JDLRDEAFXLZOKW-UHFFFAOYSA-N 350.418 4.291 0 40 FIAB FC(F)(F)c1cccc(-n2nnnc2COc2ccc3ccccc3c2)c1 9418802 SLHIFVBFSYBWTI-UHFFFAOYSA-N 370.334 4.413 0 40 FIAB Cc1cc(C)cc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)c1 9876909 LNRPRFGSBIUDRW-UHFFFAOYSA-N 353.535 4.439 0 40 FIAB O=C1C[C@@H](c2cccs2)Cc2c1cnn2-c1nc2ccccc2s1 10157232 CWAHLQZQWYFBTE-NSHDSACASA-N 351.456 4.456 0 40 FIAB O=C1CCCC[C@@H]1CCC(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188188 GUUKTXJDCKLVRA-XLIONFOSSA-N 364.489 4.480 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1nc2ccccc2[nH]1 12627341 FFRUDKQYXDZDPR-UHFFFAOYSA-N 355.441 4.131 0 40 FIAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1F 13552923 YTNPUHVFIZCJJG-CQSZACIVSA-N 363.392 4.308 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13710005 SDUAQBRGUYLPGR-CQSZACIVSA-N 374.868 4.228 0 40 FIAB CC(=O)c1c[nH]c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 14134809 SWKZMHRZJUGSMV-UHFFFAOYSA-N 359.838 4.170 0 40 FIAB CC[C@@H](C)NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 14234731 SUTAUNXNAATVQZ-OAHLLOKOSA-N 365.429 4.209 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3cccs3)ns2)cc1C 15669650 MQOKVDBWFTVOJP-LBPRGKRZSA-N 359.476 4.289 0 40 FIAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 16806351 FIHXLDSWWYLDMR-LJQANCHMSA-N 363.413 4.147 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(Cc2ccccc2)CC1 17358030 YNNCCMUIRNTAPT-UHFFFAOYSA-N 371.484 4.015 0 40 FIAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)n1ccnc1 19080509 FEJPHUMXWABNOY-ZDUSSCGKSA-N 366.387 4.092 0 40 FIAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN(C)c1ccccc1 19666728 JIGGAZAVGSEXFE-UHFFFAOYSA-N 369.852 4.170 0 40 FIAB CCCC(=O)N(CC)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C)CC2)C1 19711631 OKRADUKPTSIURC-PMACEKPBSA-N 358.526 4.020 0 40 FIAB FC(F)(F)c1cccc(N2CCN(Cc3cnc(Cl)s3)CC2)c1 20218606 NYWPCTLDEZGCGQ-UHFFFAOYSA-N 361.820 4.138 0 40 FIAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1ccccc1 20765234 HZBDAIAJYUMOKM-UHFFFAOYSA-N 362.252 4.056 0 40 FIAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nncs1 21216128 RFQPVALJKYGOCO-UHFFFAOYSA-N 370.381 4.241 0 40 FIAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2Br)cc1 21596417 WQJPLYCQKUQBFR-UHFFFAOYSA-N 363.280 4.138 0 40 FIAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nn1cnc2ccccc21 22276871 CFJPLZHAZDNBQH-UHFFFAOYSA-N 366.808 4.048 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)Nc2cc(F)ccc2F)no1 26361357 FNLYINHUZXCJQL-UHFFFAOYSA-N 361.373 4.201 0 40 FIAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3nc4ccccc4s3)c2)n1 27970884 DBMLKPXHDALNHJ-UHFFFAOYSA-N 362.458 4.410 0 40 FIAB C[C@H](N[C@@H](C)c1ccccc1Cl)c1nc(N)nc(Nc2ccccc2)n1 28792457 QSBCTIZMIITUAE-STQMWFEESA-N 368.872 4.263 0 40 FIAB O=C(Nc1nc2ccccc2s1)N1CCC([C@H](O)c2ccccc2)CC1 29328497 KOIIDUMCLOJLDJ-GOSISDBHSA-N 367.474 4.274 0 40 FIAB CC(=O)NCCCCCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32475511 FTPJGQCTCHJTHL-NRFANRHFSA-N 372.896 4.242 0 40 FIAB COc1ccccc1[C@@H](O)CNC(=O)c1sc2ccccc2c1Cl 32915272 XCOMEGGJWXMLJZ-ZDUSSCGKSA-N 361.850 4.027 0 40 FIAB CN(C)c1cccc(C(=O)N2CCCc3cc(OC(F)(F)F)ccc32)c1 32922927 VSHVBTZNMVWFTF-UHFFFAOYSA-N 364.367 4.244 0 40 FIAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)Nc1ccc(F)c(Cl)c1 35592745 RYAQGVUSNUXTNN-UHFFFAOYSA-N 374.755 4.044 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c1C 38753384 NROZZUVMIGEUIG-SFHVURJKSA-N 359.397 4.107 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc4c(O)[nH]c(=S)nc4c3)cc2s1 40088302 IERCFJNLRBCQQM-UHFFFAOYSA-N 368.443 4.168 0 40 FIAB Cc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1C 40106745 GWGUJZDLVYCJHE-UHFFFAOYSA-N 358.441 4.486 0 40 FIAB Cc1cc(C)n(Cc2cccc(NC(=O)c3cc4sccc4n3C)c2)n1 40786266 REOFBNVGXIHXBL-UHFFFAOYSA-N 364.474 4.354 0 40 FIAB COc1cc([C@@H](C)NC(=O)COc2ccccc2)ccc1OC1CCCC1 48339862 NMFBCWLTKHFDIS-MRXNPFEDSA-N 369.461 4.273 0 40 FIAB C[C@H](c1ccccc1)n1cnn(CN2CCc3sccc3C2)c1=S 48340523 PJFVTRDZKHDQDZ-CQSZACIVSA-N 356.520 4.101 0 40 FIAB CNc1nc2c(s1)[C@@H](c1ccc(F)c(Br)c1)CC(O)=N2 49550311 HDZRDPIDSKZBRO-SSDOTTSWSA-N 356.220 4.210 0 40 FIAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1 55600352 LFEBSBLUSBQRIE-UHFFFAOYSA-N 368.842 4.018 0 40 FIAB CC(C)N(C)CC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 58407673 TUFUQOHALFUMNK-UHFFFAOYSA-N 358.457 4.278 0 40 FIAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCc1nc(-c2ccsc2)no1 58408565 MJDPMWZXVBFMGO-LBPRGKRZSA-N 359.426 4.089 0 40 FIAB Cc1[nH]c2ccc(CNC(=O)N3CCC(n4cccc4)CC3)cc2c1C 58573577 GBCBHDROHBTPST-UHFFFAOYSA-N 350.466 4.133 0 40 FIAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)c1cccc(Cl)c1 61554766 NFJZLJCJTONBQZ-CYBMUJFWSA-N 359.857 4.233 0 40 FIAB O=C1C[C@H](C(=O)N2CCC[C@H]2c2ccccc2)CN1c1cccc(Cl)c1 70036983 KTUWBWUNVMHASP-LPHOPBHVSA-N 368.864 4.057 0 40 FIAB Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N(C)C 72218650 AYBUMVNSZWXTNR-IBGZPJMESA-N 353.466 4.320 0 40 FIAB CCc1nnc2sc(-c3cccc4c(Br)cccc34)nn12 73639184 POJAHGYTSCTNMU-UHFFFAOYSA-N 359.252 4.331 0 40 FIAB Cc1nc(C)c(-c2nn3c(-c4cc(Cl)ccc4F)nnc3s2)s1 95479459 LHZVEQJQSSLENX-UHFFFAOYSA-N 365.846 4.386 0 40 FIAB O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1ccc(O)cc1 95481891 ZLQAMGMLJKJZLZ-UHFFFAOYSA-N 357.797 4.057 0 40 FIAB O=C(CC1CC1)N1Cc2cc(Nc3cccnc3)ccc2[C@H]1c1cnco1 96086999 DHWCETCIKVUTIY-NRFANRHFSA-N 360.417 4.045 0 40 FIAB Cc1ccc(NC(=O)CCc2ccccc2F)cc1N1CCCCC1=O 96103531 WGXDZZLRZOMOGG-UHFFFAOYSA-N 354.425 4.222 0 40 FIAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@H](c2cccs2)CC1 219465695 STIJOERZKNJIHT-INIZCTEOSA-N 359.476 4.052 0 40 FIAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 222834385 CQAQDCIJWMTCRR-HNNXBMFYSA-N 369.486 4.450 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc1C 223626683 WPSOQLHCRDGPMY-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1OC 223679364 WJBAZEIXWBJJAL-UHFFFAOYSA-N 360.262 4.365 0 40 FIAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C 225012612 MVOZJMCLBIYVGG-WOJBJXKFSA-N 368.550 4.435 0 40 FIAB Cc1ccc(OCCNC(=O)COc2cc(C)ccc2C(C)C)c(C)c1 225168002 PRBWBZGENUBXNT-UHFFFAOYSA-N 355.478 4.309 0 40 FIAB CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 225714723 DKEJASXHTQGJHX-XMSQKQJNSA-N 374.525 4.085 0 40 FIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1 225908158 IBXVBAVKYOIEAZ-FQEVSTJZSA-N 366.502 4.201 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cccc3C)CC2)cc1 243594681 ORRYMSJRNSJXRX-UHFFFAOYSA-N 350.462 4.103 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 244474195 ZIGCFOKLPQBKPK-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@H]1c1ccnc(-c2cccc(C(=O)O)c2)c1 257259351 KXXTULSJJXEFIR-SFHVURJKSA-N 352.434 4.156 0 40 FIAB Cc1sc(NC(=O)CSc2ccccc2N)nc1-c1ccccc1 408599690 JFIGJLTYDRAUCP-UHFFFAOYSA-N 355.488 4.432 0 40 FIAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)Cc1cccc2ccccc12 408714516 SODYLZXMTNMCJS-UHFFFAOYSA-N 357.413 4.091 0 40 FIAB CCn1c(CN2C[C@@H](c3ccccc3)C[C@H]2C)nc2cc(C(=O)O)ccc21 568404187 HNQVMMAJGOZWJY-QAPCUYQASA-N 363.461 4.132 0 40 FIAB Cn1cc([C@@H]2CCCN(C(=O)c3ccc(-c4ccsc4)cc3)C2)cn1 1775965488 YMCOTWGSPDWVPU-QGZVFWFLSA-N 351.475 4.168 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)Oc2ccc(Cl)c(C)c2)cc1C 1776003994 IYKILUQYUPNPHW-UHFFFAOYSA-N 354.855 4.432 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)c2cccc3cccc1c23 803271 RZASTUUUSLVGTE-UHFFFAOYSA-N 350.805 4.401 0 40 FIAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3cccc4ccccc34)ccc12 2092820 LDXDJOSKMQCIOI-UHFFFAOYSA-N 374.392 4.461 0 40 FIAB biogenic Cc1oc2cc3oc(=O)c(CCC(=O)NCC(C)C)c(C)c3cc2c1C 2093744 XDAKGJNGUIQJQW-UHFFFAOYSA-N 355.434 4.169 0 40 FIAB biogenic CC[C@H](C(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccccc1 2359122 DOJWRLZSVSWXSE-HNNXBMFYSA-N 350.418 4.395 0 40 FIAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1 3338223 OZSFUQSKISBRDP-NSHDSACASA-N 358.444 4.056 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C)oc3C)n2)c1 3359502 LCNXIDYDXHKGQK-UHFFFAOYSA-N 358.419 4.289 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c1C 3411439 CEWPBSMRJXLOPH-UHFFFAOYSA-N 352.478 4.053 0 40 FIAB CCOc1ccc(N(C(=O)Nc2ccccc2OC)C2=NCCC2)cc1 4570540 UQABXLWAJVRDFD-UHFFFAOYSA-N 353.422 4.325 0 40 FIAB COc1ccc(Nc2c(-c3ccsc3)nc3ncccn23)cc1OC 4734020 GUZPFNOAAAPDCU-UHFFFAOYSA-N 352.419 4.219 0 40 FIAB CCn1nc(NC(=O)c2ccccc2OC)c2cc3cccc(C)c3nc21 5156894 LFCWLEQKOWMYBI-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB CCOc1ccccc1/C=C/c1nc2sc3c(c2c(=O)[nH]1)CCCC3 5827342 WHKYCOMWJWAAGN-VAWYXSNFSA-N 352.459 4.433 0 40 FIAB Cc1cc(Br)ccc1NC(=O)CN(C)[C@H](C)c1ccccc1 7018362 FSBLLKCLAWNKOT-CQSZACIVSA-N 361.283 4.389 0 40 FIAB O=C1N/C(=C/c2cccn2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 7098026 JKRCKKXYGAMGJV-QGOAFFKASA-N 363.804 4.228 0 40 FIAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 7359569 DCUSQYYGQZTRPW-JOCHJYFZSA-N 363.505 4.235 0 40 FIAB COc1ccc(NC(=O)CNc2cccc(Br)c2)cc1Cl 8747404 NISBQUXCJLMWTA-UHFFFAOYSA-N 369.646 4.162 0 40 FIAB Cc1c(C(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2ccccc12 9112809 YDTLHDLUBZGSRF-UHFFFAOYSA-N 351.349 4.273 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1 9499461 VBEBLLHHNUUNNY-UHFFFAOYSA-N 358.397 4.128 0 40 FIAB O=C(NOCc1ccccc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10319585 LPYQLMYOQYQROC-OAQYLSRUSA-N 373.408 4.002 0 40 FIAB Cc1ccc(-c2csc(NC(=O)CCc3c(C)nn(C)c3C)n2)cc1C 10683819 SWAUHSGVVJDVQQ-UHFFFAOYSA-N 368.506 4.349 0 40 FIAB O=C(Nc1cccc(C(=O)N2CCc3sccc3C2)c1)c1cccs1 10923611 QELGSWCIZUSIQG-UHFFFAOYSA-N 368.483 4.260 0 40 FIAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc4ccccc4c3)ccc21 10972003 PTRCOKHFYJKVMZ-UHFFFAOYSA-N 374.440 4.474 0 40 FIAB COc1ccc([C@@H]2[C@@H](NCc3cccnc3)[C@@H]3CCCC[C@H]32)cc1OC 12088983 FYHHTUHNZUTAER-UBBRYJJRSA-N 352.478 4.161 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 12560376 DTAJATDVVLXATQ-GOSISDBHSA-N 364.836 4.074 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc3ccccc3oc2=O)cc1 12600178 BVUPVNVNRZOXHD-LJQANCHMSA-N 363.413 4.169 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CN[C@H](C)c2cccc3ccccc23)c1 12796862 QVVZGWKXPVEFPK-OAHLLOKOSA-N 361.445 4.088 0 40 FIAB Cc1nc(COc2cccc(C(=O)NCc3ccc(F)c(C)c3)c2)cs1 12868181 GUOCKJGDCSBSMF-UHFFFAOYSA-N 370.449 4.408 0 40 FIAB O=C(Nc1ccc(C(=O)N[C@H]2CCc3ccccc32)s1)c1ccco1 12932456 QQOISXCOPZTHJQ-AWEZNQCLSA-N 352.415 4.011 0 40 FIAB COc1ccc(NC(=O)CSCc2nc3ccccc3s2)c(OC)c1 13987462 RYLZVCXGQICSTA-UHFFFAOYSA-N 374.487 4.185 0 40 FIAB O=C(Cc1cccs1)Nc1c(-c2ccc(F)cc2)nc2sccn12 18705610 BSLZIKUJWYFXTG-UHFFFAOYSA-N 357.435 4.445 0 40 FIAB CCN1C[C@H](CN(C)C(=S)Nc2c(C)cccc2C)Oc2ccccc21 18943570 KKYXGCBMYRPWKE-KRWDZBQOSA-N 369.534 4.220 0 40 FIAB Cc1cccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1C 19604039 JKRDHWCIQCBTTL-UHFFFAOYSA-N 367.474 4.002 0 40 FIAB Cc1nn([C@@H](C)Cn2cncc2-c2ccc3c(c2)CCCN3C)c(C)c1C 19720021 HHXSMTMEGGRIHY-HNNXBMFYSA-N 363.509 4.315 0 40 FIAB CC(C)C[C@@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccccc1 20440592 MXXPUYROBLEDGR-DHIUTWEWSA-N 353.506 4.036 0 40 FIAB COc1ccc(C(=O)Nc2ccc(CSc3ncn[nH]3)cc2)cc1Cl 20611365 UGUQWCGITNSJGS-UHFFFAOYSA-N 374.853 4.011 0 40 FIAB Cc1ccc(OCc2nc(CC(=O)N(C)Cc3ccccc3)cs2)cc1 21002687 BQFIMGJTDSHRJE-UHFFFAOYSA-N 366.486 4.232 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 21184013 AFJFZSXDDVOQSG-CQSZACIVSA-N 354.475 4.007 0 40 FIAB CCn1cc(C(=O)Nc2c(F)cccc2F)c(=O)c2cc(Cl)ccc21 22234883 PYPPHUMDOVUKJG-UHFFFAOYSA-N 362.763 4.205 0 40 FIAB O=C(CSCc1nc2ccccc2s1)N1CCc2ccccc2C1 22404876 UDXZZEIURZEVHR-UHFFFAOYSA-N 354.500 4.114 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cc1 22523847 GGWMPMGIFKYDMS-INIZCTEOSA-N 365.502 4.119 0 40 FIAB Cc1nc(-c2cc(C)n(CC(=O)NCc3ccc(F)c(C)c3)c2C)cs1 22529963 JVQFJTBHQVGDLP-UHFFFAOYSA-N 371.481 4.301 0 40 FIAB COC(=O)[C@@H](c1ccccc1Cl)N(C)Cc1nc2ccccc2s1 24735550 POKHDHGLQLQMOK-QGZVFWFLSA-N 360.866 4.296 0 40 FIAB CCCc1cc(C(=O)N2CCN(C)c3nc4ccccc4nc32)sc1C 25090802 HNJKYEGGXGYMKD-UHFFFAOYSA-N 366.490 4.049 0 40 FIAB O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cnccn1 26364811 QXRCXGWGJQHHER-UHFFFAOYSA-N 365.245 4.083 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(C)cc2)ns1 27742291 LTYNDDOYHXVSDS-MRXNPFEDSA-N 371.437 4.449 0 40 FIAB CCCCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1C(C)(C)C 27823520 IOMMKIFNCQFOMN-UHFFFAOYSA-N 362.495 4.359 0 40 FIAB COc1c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc(Cl)c1Cl 27824114 MPXMAGBQCGKNKD-JTQLQIEISA-N 372.273 4.142 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1ccccc1 27921283 CYRFDLGDJAYCQO-UHFFFAOYSA-N 351.475 4.279 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 27990806 LSAJVQFFCKQXHD-UHFFFAOYSA-N 351.337 4.491 0 40 FIAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)C1 30851861 CRORYQMWDUJTGR-LJQANCHMSA-N 350.506 4.281 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c(OC)c1 32095301 YPVIDSHYNVEEGW-CQSZACIVSA-N 373.478 4.274 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)OCc3ccccn3)c12 36726092 LJCOEXDGQDVNFH-UHFFFAOYSA-N 363.348 4.089 0 40 FIAB COc1cc(NC(=O)N[C@H](c2cccs2)C(C)C)cc(OC)c1OC 40023994 NDPAWECKWPDQEO-INIZCTEOSA-N 364.467 4.293 0 40 FIAB COc1ccc2nc(C)c(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2c1 40024156 MPUSQZYPTWIOMK-UHFFFAOYSA-N 350.462 4.250 0 40 FIAB CCCc1nc(CSc2nnc(N3CCCCC3)n2C2CC2)cs1 40050121 WTNFBJIDMMWSLW-UHFFFAOYSA-N 363.556 4.305 0 40 FIAB O=C(NCC(F)(F)F)c1ccccc1-c1ncc(-c2ccccc2F)o1 40052607 RASJAHOCZRDSQB-UHFFFAOYSA-N 364.298 4.440 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2Cl)cc1O 40282911 DLEXBSGBZWAYAQ-GFCCVEGCSA-N 369.808 4.364 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1 51315671 ZLLYCISLXJIFEP-UHFFFAOYSA-N 369.446 4.347 0 40 FIAB O=C(CSCc1ccccc1)N1CCC[C@@H](COCc2ccccc2)C1 56922558 DCNIZDKUEZPEOC-OAQYLSRUSA-N 369.530 4.375 0 40 FIAB COc1ccccc1-c1nc(CS(=O)(=O)CC2CCCCC2)cs1 58484028 XWBWPUKOGHJCRM-UHFFFAOYSA-N 365.520 4.314 0 40 FIAB Cc1cccc2c1nc1s/c(=C\c3cccc(Cl)c3Cl)c(=O)n12 59639250 YRFYZLJDOLDCNH-JYRVWZFOSA-N 361.253 4.072 0 40 FIAB CC(C)Oc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)no2)cc1 61997138 FGAIGJQUXHPZKK-UHFFFAOYSA-N 354.381 4.198 0 40 FIAB Cc1ccn2cc(CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2c1 65533319 JXPFREOCJHWGKE-UHFFFAOYSA-N 365.820 4.486 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCCCN3CCOC3=O)c2n1 65551352 MZAHRRFLYNRKCY-UHFFFAOYSA-N 355.221 4.071 0 40 FIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCCc2cccs2)cc1 71115876 WGTYZWJUXIGSQT-UHFFFAOYSA-N 369.490 4.290 0 40 FIAB O=c1[nH]n(C2CCCCCCC2)c2c1[C@H](c1ccc(O)cc1)CC(O)=N2 71281057 LOSOGPKZHVREDW-INIZCTEOSA-N 355.438 4.291 0 40 FIAB COCc1ccc(C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)o1 72405992 MSTKQPBPTQLYQM-UHFFFAOYSA-N 363.373 4.347 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3sc(C)nc3C(C)C)c2c1 96221787 ITRDJOCOXVCMKP-UHFFFAOYSA-N 357.479 4.037 0 40 FIAB biogenic CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccccc1 96254771 PYDKYTSRIZJOID-UHFFFAOYSA-N 373.503 4.080 0 40 FIAB CCCNc1c(NC(=O)Nc2cccc(F)c2)c(=O)oc2ccccc12 101096018 BPMSEDSQBDLOMQ-UHFFFAOYSA-N 355.369 4.398 0 40 FIAB Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3)c3ccccc3C2=O)n1 101566354 RKMFYIYEQOPZRC-RGEXLXHISA-N 355.397 4.030 0 40 FIAB O=C1/C(=C/N2CCCCC2)c2ccccc2C(=O)N1c1ccccc1Cl 103447113 VGWMXSQVYSDIJO-SAPNQHFASA-N 366.848 4.354 0 40 FIAB C[C@H]1CCN(C(=O)Nc2ccn(-c3ccccc3)n2)[C@H](c2ccco2)C1 154060022 CWOZDYBEFCMQGW-RDJZCZTQSA-N 350.422 4.470 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(C)cc1 218973599 NHTWMUDPVSPWON-DNVCBOLYSA-N 369.461 4.190 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CC1 222910261 WWMRMMXGLSOUAL-PMACEKPBSA-N 368.550 4.463 0 40 FIAB COc1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1OC 223462467 UPNBYVBYHXOOCF-QGZVFWFLSA-N 355.478 4.439 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224169158 VNCJBUJLKBLLHC-INIZCTEOSA-N 361.869 4.228 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3)n2)cc1 225312137 FWVARDQGGHGUKX-UHFFFAOYSA-N 369.852 4.290 0 40 FIAB Cc1cc(C)cc(NC(=S)NCc2nc(-c3ccccc3C)no2)c1 225828143 CQPKEOSKZMPMAU-UHFFFAOYSA-N 352.463 4.148 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1c(Cl)cccc1Cl 244222547 WARTZESMCHOVBL-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 409230514 DZXNMURBDUAQKM-LZYBPNLTSA-N 361.228 4.395 0 40 FIAB O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccc(C(=O)c2cc[nH]c2)cc1 500621010 YDGCJSABNOPZDR-HXUWFJFHSA-N 362.404 4.192 0 40 FIAB Cc1cc(-c2noc(-c3cc(F)ccc3Cl)n2)ccc1-n1cncn1 551383476 OVZDKSJCCBGBCP-UHFFFAOYSA-N 355.760 4.085 0 40 FIAB O=C(NCc1cncc(-c2ccco2)c1)c1cccc(Oc2ccccn2)c1 575619400 SOJRLKWWTCPICV-UHFFFAOYSA-N 371.396 4.459 0 40 FIAB O[C@]1(COc2cccc(Cl)c2)CCCN(Cc2ccc3[nH]ccc3c2)C1 585272612 OEQZRUWCBIJXDW-OAQYLSRUSA-N 370.880 4.227 0 40 FIAB NC(=O)Cc1ccc(CN[C@@H](CCc2ccccc2)c2ccccc2)cc1 589646406 OSKWHEGLAAXNNI-QHCPKHFHSA-N 358.485 4.178 0 40 FIAB CSc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C)n3)C2)cc1 1775969224 CUQLVKIRPLMFHK-MRXNPFEDSA-N 356.491 4.043 0 40 FIAB Cc1cc(C)cc(NC(=O)N2CCC(COc3ccnc(C)c3)CC2)c1 1775996263 LYXHXTCHSOPBME-UHFFFAOYSA-N 353.466 4.330 0 40 FIAB Cc1ccc(CN2CCCC[C@H]2C2CCN(c3ccc(C)nn3)CC2)cc1 2056226089 JXSZPFKXOCFBOD-QFIPXVFZSA-N 364.537 4.365 0 40 FIAB CCCc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)OCC)cc2oc1=O 639745 VWLJZLPKXRWWEE-LLVKDONJSA-N 352.814 4.038 0 40 FIAB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 652738 MDJRZSNPHZEMJH-XRXSLLSESA-N 374.521 4.059 0 40 FIAB O=C(CSc1nnc(-c2ccccc2Cl)o1)OCc1ccccc1 678422 CVVJPLQSVVXKGM-UHFFFAOYSA-N 360.822 4.226 0 40 FIAB CCOC(=O)c1nc(Nc2ccc(Br)cc2)c2ccccc2n1 956525 VCLWEORMMUWXLE-UHFFFAOYSA-N 372.222 4.313 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC(C)C)c(OC)c1 1322539 VERCWWZLHSTYDY-OAQYLSRUSA-N 366.461 4.207 0 40 FIAB biogenic O=C1[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(F)c1 1385120 BRFAQYYXPKIBIS-INIZCTEOSA-N 364.342 4.360 0 40 FIAB CCc1ccccc1NC(=O)COc1ccc2c(C)c(CC)c(=O)oc2c1 2099494 IGOYUGOQNFSUHR-UHFFFAOYSA-N 365.429 4.244 0 40 FIAB biogenic FC(F)(F)c1ccc2nc(C(F)(F)F)cc(N3CCCNCC3)c2c1 2243301 ZFUYIJNUMWMHSA-UHFFFAOYSA-N 363.305 4.072 0 40 FIAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 2616788 FOSWKNITAAGBDJ-GOSISDBHSA-N 363.244 4.351 0 40 FIAB Cc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)n1C 2625825 SYMQQOGCBOWCIG-UHFFFAOYSA-N 363.446 4.133 0 40 FIAB O=C(CSc1nnc2sc3ccccc3n12)c1c[nH]c2ccccc12 3495573 OZHPAOKVQNGWMW-UHFFFAOYSA-N 364.455 4.400 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1 3497475 DAXUJLCIWMNLOY-UHFFFAOYSA-N 370.792 4.099 0 40 FIAB O=C(C1CCCC1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120459 LUCZUKMRAADCFV-UHFFFAOYSA-N 356.413 4.327 0 40 FIAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1=COCCO1 4275417 KNRCNQSXRYDJJO-UHFFFAOYSA-N 364.426 4.304 0 40 FIAB aggregator CCCOc1cccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)c1 4554776 FBVYNBQITJRLRB-UHFFFAOYSA-N 370.449 4.331 0 40 FIAB COc1ccccc1CNc1ncc(-c2cccc(Br)c2)n1C 4678142 PCVFMKKONXQQLL-UHFFFAOYSA-N 372.266 4.470 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 5636897 CEAAXWQICGACBO-UHFFFAOYSA-N 353.296 4.014 0 40 FIAB CCN(CC)c1ccc(NC(=O)CCCOc2ccc(OC)cc2)cc1 5656101 IVKDBVFANUAKJB-UHFFFAOYSA-N 356.466 4.339 0 40 FIAB O=Cc1ccc(OCc2ccccc2Cl)c(I)c1 5771243 WTZMTOUNVNWFIP-UHFFFAOYSA-N 372.589 4.336 0 40 FIAB Cc1ccccc1-n1c(S[C@H]2CCCCC2=O)nnc1-c1cccnc1 6268529 BQLSHMQQAJNRFA-SFHVURJKSA-N 364.474 4.242 0 40 FIAB O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)NC1CCCC1 6548899 HSTOZNPVHADVLS-UHFFFAOYSA-N 364.420 4.070 0 40 FIAB Cc1ccc(C(=O)COC(=O)c2csc(NCc3ccccc3)n2)s1 7410452 HZFORDCSRBCWNJ-UHFFFAOYSA-N 372.471 4.165 0 40 FIAB O=C(COc1cccc(Cl)c1)NCc1ccc(CN2CCCCC2)cc1 7448474 KMHJGAQBBOLKGO-UHFFFAOYSA-N 372.896 4.021 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(OC(F)F)cc1 7785234 KSKXPKDISMIBOY-UHFFFAOYSA-N 372.371 4.224 0 40 FIAB Cc1sc2nc(-c3cccs3)nc(Oc3cccc[n+]3[O-])c2c1C 7785382 GFYTYSWDZRLHLO-UHFFFAOYSA-N 355.444 4.462 0 40 FIAB Cc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 7914411 CPIUKZOCSHICOY-NRFANRHFSA-N 358.441 4.495 0 40 FIAB Cc1ccc(F)cc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 7970800 YVDBGXWBJSZDAR-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8050105 MNBQGOKAZOTRGQ-IRXDYDNUSA-N 368.477 4.238 0 40 FIAB CC[C@@H](C)NCc1cc(Br)cc(Br)c1OC 8325919 CKTVLMBUWRAVIT-MRVPVSSYSA-N 351.082 4.108 0 40 FIAB O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@H]1c1nc2ccccc2s1 8340269 JHXBOHCLZNWXDO-FUHWJXTLSA-N 364.470 4.354 0 40 FIAB CC(=O)N[C@@H]1C=C[C@@H](c2c(C)nn(-c3ccc(C(C)(C)C)cc3)c2C)C1 8624118 NTOIKHONSFBMJT-IEBWSBKVSA-N 351.494 4.335 0 40 FIAB biogenic,in-vitro C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc[nH]4)o3)cc2C1 9255722 YIEZWYASEKOFHY-JTQLQIEISA-N 359.476 4.226 0 40 FIAB COc1ccc(Br)cc1CN(C)C(=O)Nc1ccc(F)cc1 9459923 LESQNKTYEQASIP-UHFFFAOYSA-N 367.218 4.261 0 40 FIAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccncc2)cc1 9463334 YLWJMGZYTYBRAP-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccccc1-c1ccccc1 9613996 ZKZHBPXJLZIUBB-FQEVSTJZSA-N 358.397 4.082 0 40 FIAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 10193544 LNMZUVSKJYCHTA-SANMLTNESA-N 370.518 4.198 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 10447816 BNAPRVKMCLSZFI-LBPRGKRZSA-N 356.857 4.465 0 40 FIAB Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2)C2CC2)cc1 11234300 NKCYXWQHLDIPCX-IBGZPJMESA-N 374.278 4.404 0 40 FIAB COc1ccccc1CNc1ncc(-c2ccncc2)c(-c2ccco2)n1 12222702 LPKYDJREEWMCSH-UHFFFAOYSA-N 358.401 4.419 0 40 FIAB O=C(CCCc1ccncc1)N[C@@H](Cc1ccsc1)c1nccs1 12226835 PAPDBBBUPKAGSO-INIZCTEOSA-N 357.504 4.023 0 40 FIAB CC(C)COC(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1 12440547 GDAWOUWJTJLJAU-UHFFFAOYSA-N 367.858 4.182 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1N1CCCCC1 12554072 KVBLDOVAZCZCHF-UHFFFAOYSA-N 365.521 4.364 0 40 FIAB Clc1ccccc1CN1CCC(c2noc(-c3ccccn3)n2)CC1 12668448 KNVOTXGTACBMDK-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB COc1cc2nc(NC(=O)c3cc4cc(C)ccc4[nH]3)sc2cc1OC 12866176 DGUROGCKKIPQHM-UHFFFAOYSA-N 367.430 4.356 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)Cc1cccc(Cl)c1 13000938 CTVDOAGQKFNRAW-UHFFFAOYSA-N 357.866 4.439 0 40 FIAB O=C(NCCc1cccs1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13984513 VTHUDZOQHOMNOI-GOOCMWNKSA-N 367.605 4.409 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 14185388 BLCUSPPVDPOLTC-UHFFFAOYSA-N 363.889 4.389 0 40 FIAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(SC(F)F)cc1 15332039 OKPOGDFVZXKZJX-JTQLQIEISA-N 367.373 4.136 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c2cccnc12 15840649 VVJQGHRAYGGQJQ-OAHLLOKOSA-N 350.418 4.266 0 40 FIAB COc1ncccc1-c1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 19582069 PCXFYMFKTVJIMN-UHFFFAOYSA-N 366.808 4.134 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(O)=N2 20745383 KACXGKLUONGXAZ-LBPRGKRZSA-N 374.231 4.401 0 40 FIAB COc1ccc2nc(SCCCc3nc(-c4cccs4)no3)[nH]c2c1 23076426 CYBALPXIOKFYFE-UHFFFAOYSA-N 372.475 4.408 0 40 FIAB O=C(CCc1ccc2ccccc2n1)OCc1nc(-c2cccs2)no1 24194218 AFPDLISXOPVIJE-UHFFFAOYSA-N 365.414 4.022 0 40 FIAB CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(Nc2ncccn2)c1 24646225 PYEIGDYWDVLLIN-UHFFFAOYSA-N 370.815 4.285 0 40 FIAB Cc1cc(C)nc(N(C#N)CCOc2c(Cl)cc(Cl)cc2Cl)n1 26580426 SBAIWTUJJAHMOO-UHFFFAOYSA-N 371.655 4.420 0 40 FIAB CC(C)[C@](O)(c1ccccc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 27235102 STAKUSLBPQYKBA-VXKWHMMOSA-N 373.924 4.300 0 40 FIAB COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)c1 27663715 AAMADYVSJXFBKM-HXUWFJFHSA-N 372.896 4.306 0 40 FIAB biogenic Cc1ccc([C@H](CNC(=O)Cc2ccccc2)N2CCCCCC2)cc1 27749531 UVLSPCFMXWQFCR-QFIPXVFZSA-N 350.506 4.271 0 40 FIAB CCOCc1ccccc1CNC(=O)N(C)[C@@H](C)c1ccccc1OC 28349064 LBYMDWSLGUPLGI-INIZCTEOSA-N 356.466 4.134 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1cnn(Cc2c(F)cccc2Cl)c1 28574328 LQFUKPCYCXUKKQ-UHFFFAOYSA-N 361.779 4.044 0 40 FIAB O=C(Cc1cn2ccccc2n1)N1CCc2sccc2[C@H]1c1ccccc1 30166079 UGMMMAXLQZDKAE-JOCHJYFZSA-N 373.481 4.113 0 40 FIAB CN(CCCNc1ncnc2c1oc1ccccc12)C(=O)OC(C)(C)C 32913367 CHRSUVSBZCASBZ-UHFFFAOYSA-N 356.426 4.045 0 40 FIAB COc1cc(OC)c(C2=CCN(Cc3ccccc3F)CC2)c(OC)c1 40023607 LWRDWWOKFCXTEI-UHFFFAOYSA-N 357.425 4.141 0 40 FIAB CCCSc1nnc(NC(=O)CCCOc2ccc(Cl)cc2)s1 40990204 NQYOGTKMJGJQES-UHFFFAOYSA-N 371.915 4.491 0 40 FIAB O=C(CSCc1coc(-c2ccccc2)n1)Nc1ccc(Cl)cn1 44333206 VZIVHZMYCPILJC-UHFFFAOYSA-N 359.838 4.262 0 40 FIAB Oc1ccc(-n2cnnc2)cc1-c1nc2cc(-c3ccccc3)ccc2o1 45920629 AEPISNJIYMVKPF-UHFFFAOYSA-N 354.369 4.448 0 40 FIAB COc1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 45998594 QANCZDVGWFNQIM-UHFFFAOYSA-N 364.239 4.092 0 40 FIAB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccncc2)cc1 50490618 IPSLDIPZPLYCQB-XCVCLJGOSA-N 361.357 4.434 0 40 FIAB CC(C)c1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)nn1C(C)(C)C 52667497 BGFSXKVEYPKNPA-KRWDZBQOSA-N 368.525 4.018 0 40 FIAB Cc1nn(C)c(C)c1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 55737072 NMSUZKPRRSPAFY-UHFFFAOYSA-N 368.308 4.323 0 40 FIAB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1nc2ccccc2o1 58394140 JQTPCYWPWLNMCY-UHFFFAOYSA-N 350.397 4.426 0 40 FIAB Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63810959 OJEQDWPXTIOUGB-QGZVFWFLSA-N 365.458 4.284 0 40 FIAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)ccc2N1 78403942 DSAPEKAFVUIMSF-SECBINFHSA-N 357.262 4.151 0 40 FIAB O=C(/C=C/c1cnccn1)Nc1ccc(-c2nc3ccccc3s2)cc1 78648287 OPZUMSRLWIGHGW-MDZDMXLPSA-N 358.426 4.405 0 40 FIAB Cc1nc(-c2ccccc2F)sc1CNC(=O)COc1ccccc1F 90592910 NYRLEHRZBSNKTG-UHFFFAOYSA-N 374.412 4.092 0 40 FIAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3cccc(F)c3)CC2=O)cc1 96590212 UPHMSALNQFYCIN-INIZCTEOSA-N 354.425 4.160 0 40 FIAB CCc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)cc1 101275816 XJBPVUDLLGNCIH-OAHLLOKOSA-N 363.244 4.300 0 40 FIAB Cc1cccc(N2C(=O)/C(=C\Nc3ccccc3C)c3ccccc3C2=O)n1 102332225 PWFWJNFMFUKALZ-RGEXLXHISA-N 369.424 4.338 0 40 FIAB CC(C)OC(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 103282597 CRWGNBZGOGKMLL-CTNGQTDRSA-N 351.446 4.118 0 40 FIAB Cc1cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc1Br 109758517 VMPRKNDCKWFPLC-UHFFFAOYSA-N 362.333 4.060 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 152796231 YPLWDEBLHDVHDJ-UHFFFAOYSA-N 360.413 4.253 0 40 FIAB COc1ccc([C@H]2CCCCN(C(=O)c3ccc(OC(C)=O)cc3)C2)cc1 206884166 XBXHAHCQHMRKAE-IBGZPJMESA-N 367.445 4.030 0 40 FIAB COC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 216898726 INZRVEKWEWFAFD-XBXARRHUSA-N 350.773 4.253 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2Cl)c1C 219056042 PLTFPAONQAYWQO-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2F)c1 219066944 HPBCHDGOWTWSAD-INIZCTEOSA-N 361.482 4.259 0 40 FIAB Cc1ccc(SCCNC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219851090 RFHXSAJBYYPKFB-UHFFFAOYSA-N 368.546 4.428 0 40 FIAB CC[C@@H](NC(=O)C1CCN(c2ccc(C)cc2)CC1)c1ccc(OC)cc1 219863720 CEPZMECHBHQONH-JOCHJYFZSA-N 366.505 4.488 0 40 FIAB CCC1(CC)C[C@@H](NS(=O)(=O)c2cccs2)c2ccccc2O1 223166455 PDJAELUSQSFSMN-CQSZACIVSA-N 351.493 4.109 0 40 FIAB CCC1(CC)C[C@H](NC(=O)Cc2ccc(OC)cc2)c2ccccc2O1 224771424 UWSDUDRBDLQWJN-IBGZPJMESA-N 353.462 4.437 0 40 FIAB COc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C 224786230 RQAOOEOHWYWBPQ-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1nnc(-c2ccccc2)s1 225351342 GOBOLHUFYQTWJV-CQSZACIVSA-N 357.410 4.140 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Sc2ccc(C)cc2)s1 225431830 LMDRIAWQDLFEGI-NSHDSACASA-N 353.538 4.468 0 40 FIAB O=C(NCc1cccc2ccccc12)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225680000 OBTDQJLUBKPTMH-LJQANCHMSA-N 374.440 4.268 0 40 FIAB O=C(C1CCCC1)N1CC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257240680 HUQNVJRILMEHIX-INIZCTEOSA-N 358.869 4.425 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 640050 TVKJCAPUSFAVII-UHFFFAOYSA-N 350.805 4.401 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c1 884378 ALVKECPKVVWCKB-UHFFFAOYSA-N 364.401 4.166 0 40 FIAB CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(N)c23)CO1 1274814 ATOGTTABUUDGPS-UHFFFAOYSA-N 357.504 4.417 0 40 FIAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3F)ccc12 2146982 CCBPOWHHTQKOLH-UHFFFAOYSA-N 370.376 4.145 0 40 FIAB biogenic Cc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)cc1 2207969 PVJSIFREPRNRBP-UHFFFAOYSA-N 364.396 4.278 0 40 FIAB COc1ccc(-c2cc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)no2)cc1 3907856 WUTOMWQZPOYRFL-QVKFZJNVSA-N 354.450 4.391 0 40 FIAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1C 4305065 SWGINJUYBDWJJN-OAQYLSRUSA-N 360.457 4.430 0 40 FIAB CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nc2ccccc21 4484436 FRSQDJHAURGBGA-QGZVFWFLSA-N 365.502 4.342 0 40 FIAB O=C(/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1)c1ccccc1 4509685 TWDOMBNDNMGONI-XTQSDGFTSA-N 357.438 4.342 0 40 FIAB CCCCN(C(=O)c1cccnc1)c1nnc(-c2ccc(F)cc2)s1 4880433 CSHQGTDHNMHTNH-UHFFFAOYSA-N 356.426 4.186 0 40 FIAB O=C(Nc1ccc(C2CCCCC2)cc1)C1CCN(c2ncccn2)CC1 4965874 KUEVPJBPHIIFMW-UHFFFAOYSA-N 364.493 4.379 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1Cl 5269216 JOYBECZCNUDUTK-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB Cc1ccc(S(=O)(=O)n2c(Cc3ccccc3)nc3ccccc32)cc1 5285926 JXKIOBGYKQARGV-UHFFFAOYSA-N 362.454 4.173 0 40 FIAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(C)cc1)C[C@H](c1ccccc1)N2 5344990 BXNNXZZJJMGKNJ-MSOLQXFVSA-N 361.449 4.081 0 40 FIAB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1 5362062 BYOFEKOKAKKOBI-CYBMUJFWSA-N 373.474 4.210 0 40 FIAB CCC[C@H]1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C(N)=O)C1 6046032 XCJBNTFLGHULIW-LBPRGKRZSA-N 372.490 4.013 0 40 FIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Br)c3)o2)c1 7510347 PZRASHWSMOMTKK-UHFFFAOYSA-N 372.222 4.368 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 7637944 WWOSORWHCCTUFB-UHFFFAOYSA-N 356.491 4.231 0 40 FIAB Cc1ccc(-n2nnnc2SCc2ccccc2C(F)(F)F)cc1 7982564 GYIMCRMOGNOOMM-UHFFFAOYSA-N 350.369 4.282 0 40 FIAB COc1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1OC 8134133 KADIAWMICPPKFM-UHFFFAOYSA-N 355.478 4.250 0 40 FIAB CCOc1cc(CNC)cc(Br)c1OCc1ccccc1F 8254126 KYHGXYPYWHIUNM-UHFFFAOYSA-N 368.246 4.285 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 8709951 WOMROVJKYALAMZ-UHFFFAOYSA-N 371.396 4.040 0 40 FIAB COc1ccccc1N1C(=O)c2c(C)n[nH]c2N[C@@H]1/C(C)=C/c1ccccc1 9217718 KPYOJTJISWDSIA-ARKBFRDHSA-N 374.444 4.229 0 40 FIAB CC(C)[C@@H]1C[C@](CC(=O)NCc2cccnc2)(Cc2ccccc2)CCO1 9423752 ZLVSCYXXHREPGG-JTHBVZDNSA-N 366.505 4.152 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11074362 NQGUBWDHHRLYBL-OAHLLOKOSA-N 364.420 4.390 0 40 FIAB Cc1nn(C)c2sc(C(=O)OCc3ccc(C(F)(F)F)cc3)cc12 11976144 VAAYBGWOKODUMH-UHFFFAOYSA-N 354.353 4.319 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc2nnsc2c1 12274810 XVVWOTFNJJIAMO-UHFFFAOYSA-N 370.434 4.130 0 40 FIAB C[C@H](NC(=O)CCCNC(=O)NC1CCCCC1)c1cc2ccccc2o1 12856264 IRVIXVBNPNUPKC-HNNXBMFYSA-N 371.481 4.022 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CCCc2ccccc21 12919062 PSRYJYVSWRGNML-QFIPXVFZSA-N 363.505 4.028 0 40 FIAB COc1ccccc1[C@H](CNC(=O)Nc1ccc(Cl)cc1)N1CCCC1 12979053 DJDSWWIKWNIZBH-SFHVURJKSA-N 373.884 4.307 0 40 FIAB Fc1cccc(Cl)c1Cn1cc(NC(=S)NC2CCCCC2)cn1 13330652 TYRPIERVLAEKLO-UHFFFAOYSA-N 366.893 4.343 0 40 FIAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 14219032 RADLMTOQHFNMKV-LBPRGKRZSA-N 368.296 4.051 0 40 FIAB O=C(c1cc(F)c(F)cc1Cl)n1cccc/c1=N\C1CCCCC1 14903724 FFUPZZVAINSDLR-OQKWZONESA-N 350.796 4.342 0 40 FIAB COc1ccc(NC(=O)CNc2ccccc2N2CCCCC2)cc1Cl 15123215 GLWASVLKFHQEIK-UHFFFAOYSA-N 373.884 4.390 0 40 FIAB COc1ccccc1CCNC(=O)c1cc(-c2ccco2)nc2ccccc12 15742794 ULUNJTWIDWHGDO-UHFFFAOYSA-N 372.424 4.476 0 40 FIAB COc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)c(OC)c1 15838562 MAAUSCVGKVXXII-UHFFFAOYSA-N 357.793 4.285 0 40 FIAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Oc2ccc(F)cc2)cc1 16181051 ZTIBEXMMJZHMSE-UHFFFAOYSA-N 363.348 4.040 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCc1ccc2c(c1)OCCO2 18073373 VDGBJFUXCBWFEA-UHFFFAOYSA-N 373.452 4.026 0 40 FIAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(CC4CCCCC4)C3)no2)CC1 19496730 ZCEOIXMIMJEFNX-LJQANCHMSA-N 373.541 4.306 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NCc2nc(-c3ccsc3)no2)c1 24360737 SPZPHKIGNLEUBR-UHFFFAOYSA-N 356.451 4.395 0 40 FIAB CN(Cc1cnn(C)c1)c1ncnc2scc(-c3ccc(Cl)cc3)c12 24585867 UTBWAMIZWUBEOM-UHFFFAOYSA-N 369.881 4.382 0 40 FIAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)[C@@H]1Cc2ccccc2O1 29765595 BROROYYBJGPXPN-SFHVURJKSA-N 362.410 4.499 0 40 FIAB COc1ccc(C(C)=O)c(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 30497490 MRNQFHYCATVUSG-LLVKDONJSA-N 365.788 4.096 0 40 FIAB Cn1ncc2c1CCC[C@H]2NCc1ccc(-c2nc3ccccc3s2)o1 30908825 KKPUATBAZZVIOC-OAHLLOKOSA-N 364.474 4.457 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1cc3ccc(F)cc3s1)CC2 31209689 FQJICKAWRBRPHT-UHFFFAOYSA-N 371.433 4.256 0 40 FIAB CCCn1c(NC(=O)c2ccc3nc(C)c(C)nc3c2)nc2ccccc21 32740655 FRGFQVAKUCZYNE-UHFFFAOYSA-N 359.433 4.259 0 40 FIAB OC[C@@H](CNc1nc(-c2ccccc2)nc2ccccc12)Cc1ccco1 32909012 WYRITTXSGNKWCD-MRXNPFEDSA-N 359.429 4.153 0 40 FIAB COc1ccc2nc(SCC(=O)O[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)[nH]c2c1 36618542 APCIDJUGXVOSGS-RRBXVBTKSA-N 374.506 4.422 0 40 FIAB CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccncc1 40068924 RHFBHNGAQSFFAM-VQIMIIECSA-N 368.477 4.368 0 40 FIAB O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCc2ccccc21 41095035 LKEJGBLAVGHLGA-UHFFFAOYSA-N 362.665 4.398 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(NC(C)=O)cc1 43653647 WETBCLRHTCZDMR-UHFFFAOYSA-N 351.859 4.414 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)o2)cc1 48513635 KVSOKTHPFNDYQA-LBPRGKRZSA-N 374.491 4.238 0 40 FIAB Cc1cc2nnc(SC[C@@H](O)c3cc(F)ccc3F)n2c2ccccc12 51227039 RMOLIOVAIXEJMX-QGZVFWFLSA-N 371.412 4.295 0 40 FIAB Oc1ccc(C2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 55102768 UGYFIMQXSRYFQW-UHFFFAOYSA-N 369.852 4.475 0 40 FIAB C[C@@H](NC(=O)N1CCC(n2cccc2)CC1)c1ccc(OC(F)F)cc1 58203236 ILUXSPDHSPWCBL-CQSZACIVSA-N 363.408 4.197 0 40 FIAB C[C@@H](CC(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1)C1CC1 58299519 BRHKSKIQZPEIFJ-ZDUSSCGKSA-N 373.447 4.497 0 40 FIAB CCOc1ccc(-c2csc(Cc3nc(-c4ccncc4)no3)n2)cc1 67246084 YXGITMUYLBWPMD-UHFFFAOYSA-N 364.430 4.245 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nn2C)c(OC)c1 72406421 PNYOASCFIGFYFE-UHFFFAOYSA-N 371.824 4.010 0 40 FIAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(Cl)cc1 85474551 SXLNXAUZKMAXJT-INIZCTEOSA-N 363.891 4.475 0 40 FIAB O=C(Cc1ccccc1Cl)N1CCC(CSc2ccccn2)CC1 85557576 PMASTWQMXFEPAE-UHFFFAOYSA-N 360.910 4.308 0 40 FIAB Cc1cccc2c1C(=O)NCCN2C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 95458587 RFTXBXHZHHEWHS-WOJBJXKFSA-N 370.452 4.028 0 40 FIAB Cn1cc(/C=C2/SC(=O)N=C2Nc2cccc(OC(F)(F)F)c2)cn1 95482674 YHXUKZHHMVUHAQ-LFYBBSHMSA-N 368.340 4.037 0 40 FIAB O=C(CSCc1ccccn1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 95965536 PBDMWNPJCCICHW-GHTZIAJQSA-N 352.503 4.243 0 40 FIAB COc1ccccc1-c1noc(CNc2cc(Br)ccc2C)n1 98127343 BDJGYEHPLALSPZ-UHFFFAOYSA-N 374.238 4.428 0 40 FIAB Cc1cc(NC(=O)[C@H](OC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)no1 105657140 SRJZQPPFTIHAEI-UJAMICLKSA-N 368.433 4.032 0 40 FIAB Cc1ccc2[nH]c([C@H]3CCCN3C(=O)N[C@@H]3CCCc4occc43)nc2c1 194664172 NEYGDQOGJNUQMS-CRAIPNDOSA-N 364.449 4.388 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1 222800738 RYFQJKKWJGDVAO-KRWDZBQOSA-N 355.478 4.255 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222853476 RGMPRXKNIAHLKL-VQTJNVASSA-N 362.502 4.253 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccccc1 223148839 GUTSYIKODGKSPH-QFIPXVFZSA-N 351.490 4.472 0 40 FIAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1C(C)C 223290950 LWOXGJBYNNDUPR-BTYIYWSLSA-N 369.461 4.144 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NCC 224476110 VHPVNHZJPPJUQU-OAHLLOKOSA-N 359.297 4.037 0 40 FIAB CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224722661 XFMULQKNVFUMOQ-UHFFFAOYSA-N 365.882 4.487 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1C 225177138 BFKPJPHZTSLHOM-SFHVURJKSA-N 367.489 4.145 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2cccc(OCC)c2)c1 225440079 SGFZYUIHXIERPR-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NC[C@H](O)c1csc2ccccc12 225699332 LTOMTCQXFWDVOV-INIZCTEOSA-N 360.866 4.088 0 40 FIAB COc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)c(OC)c1 225848700 GBQWYSJFFBRTOR-UHFFFAOYSA-N 356.491 4.460 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(C)c(O)c(Br)c2)cc1 226242698 USPMVUIRDKZSGV-UHFFFAOYSA-N 350.212 4.114 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccc(SC)c1 408700804 MEFJXJXHBCMICO-UHFFFAOYSA-N 351.493 4.341 0 40 FIAB CC(C)CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccccn2)cc1 516255087 DEKYXIYATWFFKM-HXUWFJFHSA-N 374.506 4.032 0 40 FIAB Ic1cccc(CNCc2coc3ccccc23)c1 572063627 OSQOGAMROZJUSK-UHFFFAOYSA-N 363.198 4.327 0 40 FIAB C[C@H](NCc1cnc(-c2ccncc2)s1)c1ccc(-n2ccnc2)cc1 1650901156 LBPPOHRSQPVQSD-HNNXBMFYSA-N 361.474 4.242 0 40 FIAB C[C@]12CCCC(=O)N1c1ccccc1-c1nc(-c3ccccc3Cl)nn12 1776004273 PUHZFYYRCQXYFP-FQEVSTJZSA-N 364.836 4.469 0 40 FIAB Fc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 922338 XMLLEYVVJPURKR-UHFFFAOYSA-N 354.366 4.218 0 40 FIAB C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1ccccc1 1224905 UYHGCPBBCRVDCH-HKMRUAMVSA-N 368.506 4.166 0 40 FIAB O=S(=O)(c1ccc(F)cc1)N1c2ccccc2OC[C@H]1c1ccccc1 1392390 LUIPREQGMPHXIW-IBGZPJMESA-N 369.417 4.155 0 40 FIAB Cc1ccc(Cn2cc(Cl)cc(C(=O)Nc3ccccc3)c2=O)cc1 1400238 JIVSFNLQUUIGJX-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB O=C1NC(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)S1 1405708 YMDOMNLQXYIDMQ-OVCLIPMQSA-N 363.797 4.382 0 40 FIAB CCCCOCOc1ccccc1P1(=O)COc2ccccc2OC1 1636269 JZHUSDHKYQXIRX-UHFFFAOYSA-N 362.362 4.214 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)cc1 2640282 WMQFEVYHNUECEA-UHFFFAOYSA-N 369.870 4.111 0 40 FIAB COc1ccc(C)cc1NC(=O)CCCC(=O)Nc1cc(C)ccc1OC 2748321 FHVMVYNADWLTQE-UHFFFAOYSA-N 370.449 4.068 0 40 FIAB Cc1ccc(OCn2ccc(C(=O)NC3CCCCCCC3)n2)c(C)c1 2795745 ZRWOMFYLNKATPA-UHFFFAOYSA-N 355.482 4.379 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 3225231 WKHBTHAKEGCNQW-UHFFFAOYSA-N 374.170 4.376 0 40 FIAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1CCCC1 3313970 ZBQXRDAMOHZRMP-UHFFFAOYSA-N 374.440 4.117 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@H]2CCCc3ccccc32)c1 3524185 XHRITGILBCUZBQ-KRWDZBQOSA-N 360.251 4.265 0 40 FIAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2)c(C)n1Cc1ccco1 3537670 QNTHACWAXILWCD-UHFFFAOYSA-N 371.820 4.439 0 40 FIAB COc1cccc(C(=O)N2CCN=C2SCc2ccccc2Cl)c1 4120258 XHBDVOAHGMDWTI-UHFFFAOYSA-N 360.866 4.094 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC21OCCO1 4410300 OJRADRUMJUVRPG-PLACYPQZSA-N 356.462 4.211 0 40 FIAB CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccc(C(F)(F)F)cc1 4744659 URYLDEDCAYQMLQ-UHFFFAOYSA-N 358.404 4.029 0 40 FIAB COc1cc2cc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)[nH]c2cc1OC 5271186 IJSLLKFRKCTFMH-QKKBWIMNSA-N 356.466 4.226 0 40 FIAB CC(C)COC(=O)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F 5284563 CBRYIISOOSNHSO-UHFFFAOYSA-N 359.266 4.269 0 40 FIAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccs2)cc1 6630424 AXGHQMZJGSPXFR-UHFFFAOYSA-N 366.442 4.167 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(Cl)nc2ccccc12 6654167 QJLGJHKKCHMNCL-UHFFFAOYSA-N 369.808 4.108 0 40 FIAB Cc1ccc2c(COC(=O)Cc3ccc(Cl)cc3)cc(=O)oc2c1C 6887307 XYMOCALBAFARPW-UHFFFAOYSA-N 356.805 4.349 0 40 FIAB COc1cc(C)c(CN(C)C(=O)c2ccc(CC(C)C)cc2)cc1OC 7278001 DJFSVZSLGYWTCR-UHFFFAOYSA-N 355.478 4.483 0 40 FIAB Cc1ccc(N2C(=O)N(Cc3ncc(-c4ccccc4)o3)C(=O)[C@H]2C)cc1 7313690 VINKIQWIFQYQQN-OAHLLOKOSA-N 361.401 4.007 0 40 FIAB CCc1nnc(NC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)s1 7398910 OZTGRKLOBVECRP-UHFFFAOYSA-N 364.883 4.059 0 40 FIAB COc1ccc(C(=O)CSc2nnc(C3CCCCC3)o2)cc1F 7508793 SFSROXXBPZCWDT-UHFFFAOYSA-N 350.415 4.240 0 40 FIAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2)cc1 7601275 PBFLZKZRHKVIHM-UHFFFAOYSA-N 354.479 4.216 0 40 FIAB COc1ccccc1CNc1nc(-c2ccc(OC)c(OC)c2)cs1 7843273 KWWXVDCYIAWBMH-UHFFFAOYSA-N 356.447 4.448 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1 7946036 YAEAQROJIIVYDH-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Clc1cc(CSc2nc(-c3cccs3)n[nH]2)cc2c1OCCO2 8345351 BUSWZULXIHKECQ-UHFFFAOYSA-N 365.867 4.250 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccco2)cc1C 8690315 SNFOZKYWNCUNHB-YQQQUEKLSA-N 369.534 4.378 0 40 FIAB CC(=O)N(c1ccccc1)[C@H](c1ccccc1)c1nc2ccccc2[nH]c1=O 9360040 LWTJESRHHCVYEK-JOCHJYFZSA-N 369.424 4.066 0 40 FIAB COc1cc(CNc2ncc(-c3cc(C)no3)c(C(C)C)n2)cc(OC)c1 12186888 MIAZVTCQPVFDAE-UHFFFAOYSA-N 368.437 4.193 0 40 FIAB C[C@H](C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1 12220882 ALLHXSNQHKKSSI-LAUBAEHRSA-N 359.473 4.229 0 40 FIAB COc1ccc(C)cc1CN1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 12345049 NAOKACACPUFDLI-RLAPIPATSA-N 355.453 4.157 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 12891781 CDPPASHXVPXSDU-CQSZACIVSA-N 372.852 4.181 0 40 FIAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 12894010 AJNNNDIHDQSGFJ-HRAATJIYSA-N 370.468 4.239 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2OCC(F)(F)F)c1C 12914616 VHNGDDHDUVUBCM-UHFFFAOYSA-N 354.328 4.028 0 40 FIAB O=c1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]nc1-c1ccccc1 16777481 HELVQHHPDHGNTC-UHFFFAOYSA-N 366.730 4.248 0 40 FIAB Clc1cc(Cl)c(OCCCCCCN2CCNCC2)c(Cl)c1 19365853 JQSYHBPPRSWMPD-UHFFFAOYSA-N 365.732 4.491 0 40 FIAB COc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nccs1)OCO2 19550650 BBVOMCLHEPYVGC-CQSZACIVSA-N 374.487 4.016 0 40 FIAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 19677707 SYOOHAANYHRQTG-UHFFFAOYSA-N 358.246 4.039 0 40 FIAB CCCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1 20141739 JHTURUWMTAKZRW-UHFFFAOYSA-N 351.402 4.480 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1Br 20481011 VXAGWVYFNUMZFG-HNNXBMFYSA-N 352.203 4.384 0 40 FIAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccncc1 27408119 QOLUSPBGZIGMBX-CYBMUJFWSA-N 355.825 4.200 0 40 FIAB Cc1cc(-c2cc(C(=O)NCC3CC3)c3cnn(C(C)C)c3n2)c(C)o1 27467879 OBXFWPNMMNSCCE-UHFFFAOYSA-N 352.438 4.029 0 40 FIAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1cccnc1 28221644 GNVLSUZZINUJNF-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB Cc1c([C@@H](C)NC(=O)C2CCC2)cnn1-c1cccc(C(F)(F)F)c1 29292640 FJFNKRAIRTXMKD-LLVKDONJSA-N 351.372 4.177 0 40 FIAB CCn1c(NC(=O)c2csc(Br)c2)nc2ccccc21 30625139 CAODSSFTBVPKQR-UHFFFAOYSA-N 350.241 4.133 0 40 FIAB CN(Cc1ccsc1)C(=O)Nc1cccc(I)c1 43317305 AGMOEUGKDNVQEM-UHFFFAOYSA-N 372.231 4.017 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 44838103 JOQFLZJPLGNPBD-UHFFFAOYSA-N 370.412 4.441 0 40 FIAB Cc1ncc(-c2ccc(NC(=O)c3c(Cl)nc4ccccn34)cc2)o1 52426490 REBAMQOSINBLDQ-UHFFFAOYSA-N 352.781 4.203 0 40 FIAB O=c1c(Cl)c(Cl)cnn1CN1CCC[C@@H]1c1cccc2ccccc12 57105217 PXRAETFRDARTNE-QGZVFWFLSA-N 374.271 4.498 0 40 FIAB Cc1cc(NC(=O)CSCCOc2ccc(Cl)cc2Cl)no1 58016062 TWJMSPATDAEPIM-UHFFFAOYSA-N 361.250 4.041 0 40 FIAB O=C(Nc1cccc2ccccc12)N(Cc1ccncc1)C[C@H]1CCCO1 58196602 JAIMHQMHYHIQKY-LJQANCHMSA-N 361.445 4.448 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)Cc1c(C)nn(C(F)F)c1C 58402587 ZAMDZFAXTBJUQG-CQSZACIVSA-N 353.438 4.035 0 40 FIAB Cc1cccc2sc(NC(=O)c3csc(Nc4cccnc4)n3)nc12 62022580 IMSSVKHCISXWDF-UHFFFAOYSA-N 367.459 4.452 0 40 FIAB O=C1COc2ccc(Br)cc2CN1Cc1cccc(Cl)c1 65184434 FPPOJRWJQUEBCS-UHFFFAOYSA-N 366.642 4.024 0 40 FIAB O=C(C[C@H]1OC(=O)c2ccccc21)N[C@@H](c1cccs1)C1CCCC1 65474875 ORASRYNIYYMWMT-VQIMIIECSA-N 355.459 4.397 0 40 FIAB CCOc1ccc(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)cc1 67245981 AVSFRPSHNXFRJP-UHFFFAOYSA-N 358.401 4.047 0 40 FIAB Cc1ccc(NC(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)c(F)c1 68555565 KNNSCLOZQIDREB-INIZCTEOSA-N 369.400 4.098 0 40 FIAB CCOc1ncccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 71795554 WQQSILBYLBCDBM-UHFFFAOYSA-N 370.412 4.343 0 40 FIAB Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2CCc2ccccc2)n1 72354640 AOEYGTLGFRMLTP-HXUWFJFHSA-N 362.452 4.245 0 40 FIAB Cc1nccn1-c1cccc([C@H]2CCCN(CCCc3ccccc3)C2)n1 72379110 ZLGYHQJKBXREGA-NRFANRHFSA-N 360.505 4.388 0 40 FIAB CC(C)n1cc(CC(=O)Nc2ccc(Cn3cncn3)cc2)c2ccccc21 72406441 MOGXCUNADGJELR-UHFFFAOYSA-N 373.460 4.043 0 40 FIAB CCC(CC)N(Cc1nc(O)c2cnn(-c3ccccc3)c2n1)CC(C)C 75093966 ZYZGVRLWCZMNNB-UHFFFAOYSA-N 367.497 4.168 0 40 FIAB O=C(c1cccc(Br)c1)N(CCc1cccs1)C1CC1 75154806 ZZBMTCRASSNNKD-UHFFFAOYSA-N 350.281 4.358 0 40 FIAB CCCCO[C@H](C)C(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 79072227 QDLWTSUAODYELU-AEFFLSMTSA-N 361.507 4.016 0 40 FIAB Fc1ccc(Cc2noc([C@H]3CC(c4ccc(Cl)s4)=NO3)n2)cc1 84404878 DBNBOTVBQBRWGZ-GFCCVEGCSA-N 363.801 4.380 0 40 FIAB CNC(=S)N1N=C(c2ccccc2)C[C@H]1c1cccc(Br)c1 89392208 HLVMIWNHGCMGJT-INIZCTEOSA-N 374.307 4.105 0 40 FIAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1cc2ccccc2o1 96119787 YSLCXYYPVPFEKS-UHFFFAOYSA-N 351.383 4.248 0 40 FIAB Clc1ccc2[nH]c(CN(Cc3cccs3)C[C@@H]3CCCO3)nc2c1 96997341 AYHHULZLSLHCSE-AWEZNQCLSA-N 361.898 4.459 0 40 FIAB CCc1oc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)cc1C 97102756 KEVFKFRQPGEKDF-WMLDXEAASA-N 368.260 4.188 0 40 FIAB CCN(CC)c1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 102334668 CMHZPVVRMLJTTI-WZGNDQMWSA-N 356.510 4.193 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 102794510 PMFUBIXVSYKVSG-DODZYUBVSA-N 369.509 4.177 0 40 FIAB COC(=O)c1ccc2c(-c3c(O)cc(C)c(OC)c3C)c(O)ccc2c1 169796776 KLRGPOGTUFHDSX-UHFFFAOYSA-N 352.386 4.330 0 40 FIAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)c(O)c(C)c3)N21 222654271 BMPKATLNICCAHK-KBAYOESNSA-N 353.491 4.383 0 40 FIAB CC[C@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(C)cc1C 223444603 WCMLYVYUEPHVMN-IBGZPJMESA-N 361.507 4.358 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1C(C)C 223795071 JJCSWZXHTVHERQ-GOSISDBHSA-N 359.441 4.302 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3C[C@H](C)C[C@@H](C)C3)nc2)cc1 223944087 ZTTILEZLFCWUCG-IAGOWNOFSA-N 368.550 4.359 0 40 FIAB COCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OC 224394230 ZTEVZSGDPHDLCE-UHFFFAOYSA-N 354.233 4.078 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1C(C)C 225304245 LKYYIFHFVAKNBS-MRXNPFEDSA-N 361.507 4.475 0 40 FIAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc3ccccc3c2)c1 225363777 YDMDWMPEUJQXHP-UHFFFAOYSA-N 353.487 4.443 0 40 FIAB CC[C@@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(OC)cc1 225487796 KIAPCCRSWWVTKU-QGZVFWFLSA-N 372.490 4.228 0 40 FIAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 225771483 IJCKRTMRNTWCNI-UHFFFAOYSA-N 355.850 4.057 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1C 225873734 NHMPONACUFXEDW-HNNXBMFYSA-N 367.445 4.066 0 40 FIAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccc(Cl)s1 245020853 MKLFHRGOHPVSGG-JTQLQIEISA-N 355.868 4.057 0 40 FIAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 408615374 POQSYGAAIKDMFU-UHFFFAOYSA-N 366.367 4.147 0 40 FIAB CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)(C)C)cc1 408709578 UJAGTJFUEXCKID-UHFFFAOYSA-N 368.477 4.026 0 40 FIAB CC(C)(C)C1CCC(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)CC1 408710280 VYNGYIZDHWZFDB-UHFFFAOYSA-N 364.574 4.429 0 40 FIAB CCc1nc2ccc(C(=O)NCc3cncc(-c4ccoc4)c3)cc2s1 575619392 FICZNCARIDHUMJ-UHFFFAOYSA-N 363.442 4.444 0 40 FIAB CCc1ccc2occ(C(=O)N3CCCC[C@H]3c3noc(CC)n3)c2c1 671732917 WDZPEQZRMTXZGO-INIZCTEOSA-N 353.422 4.308 0 40 FIAB CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@H](C)C2 669093 GSCVEXBIKNHITM-ZDUSSCGKSA-N 373.474 4.067 0 40 FIAB NC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCC2 669536 LLXYSQQJZCPSLL-OUKQBFOZSA-N 354.475 4.158 0 40 FIAB Cc1ccc(OCC(=O)NC2CCCCCCC2)c(Br)c1 826231 VUBGPRQGOGXJKA-UHFFFAOYSA-N 354.288 4.365 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)O)n2-c2cccc(Cl)c2)c1 900418 BSBUNCIUXNGLFV-UHFFFAOYSA-N 359.838 4.073 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)n1-c1ccccc1 907546 HVZDFSPSDSLFOM-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)N1CCCC1 1223997 GGWIAQAXPPGZAU-UHFFFAOYSA-N 367.449 4.150 0 40 FIAB COC(=O)N1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)N1C(=O)OC 1585426 NFBQADGBJPGOTN-QZTJIDSGSA-N 352.390 4.091 0 40 FIAB O=C(COC(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1Cl 1972534 OVOPZYLEFXOOIW-UHFFFAOYSA-N 363.744 4.216 0 40 FIAB COC(=O)[C@H]1[C@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 2077668 UNFRAJUOZJRASQ-LDJQHZOJSA-N 357.409 4.092 0 40 FIAB COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCCCC4)cc1 2280933 FOKQGWQLXIYBDC-UHFFFAOYSA-N 372.515 4.447 0 40 FIAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccccc1)SCC(=O)N2 2450886 WDUCYEKVEYVINO-YJBOKZPZSA-N 371.506 4.096 0 40 FIAB CCNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2753329 CFHQDOJBYREFTM-UHFFFAOYSA-N 355.235 4.414 0 40 FIAB CCCCc1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1 3292935 CODSIIPUCIIBTB-UHFFFAOYSA-N 366.490 4.341 0 40 FIAB O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccccc1 3364896 WINVRZJWTDATEA-UHFFFAOYSA-N 360.822 4.277 0 40 FIAB COc1cc(C(=O)Nc2c(F)c(F)cc(F)c2F)ccc1OC(F)F 3387783 HCQCYOHYUWGENE-UHFFFAOYSA-N 365.229 4.105 0 40 FIAB CCOc1ccc(CNc2ncc(-c3ccc(OC)cc3)n2C)cc1OC 4678588 XZHYNDGZOKFJKL-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1Cl 4870130 NPHYUTHOZNFNDY-TUAOUCFPSA-N 356.249 4.301 0 40 FIAB Cc1nc(SCC(=O)N2CCCC2)c2cc(-c3ccccc3)sc2n1 5212820 RKVKQPPPFXLHQT-UHFFFAOYSA-N 369.515 4.381 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(N2CCCCC2)cc1 6248948 GWWFIWJEFMCUPZ-UHFFFAOYSA-N 350.462 4.183 0 40 FIAB O=C(OCCOc1ccc(Cl)cc1Cl)c1n[nH]c2ccccc12 6566897 ZTUWNQPBPMHJSZ-UHFFFAOYSA-N 351.189 4.106 0 40 FIAB CCOc1ccc(C(=O)COC(=O)COc2ccc3ccccc3c2)cc1 6648783 CDTMXFDRMIIRSE-UHFFFAOYSA-N 364.397 4.043 0 40 FIAB Cc1ccc(-c2noc(CCCCCNC(=O)NC3CCCCC3)n2)cc1 6934720 JNGFWUXGHGAFGT-UHFFFAOYSA-N 370.497 4.390 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1cccc(Cl)c1Cl 7108474 GOBNLEVBNFDLID-WDMOLILDSA-N 358.265 4.234 0 40 FIAB Cc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1Cl 7535566 DEDSBCFRRNBWQO-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB S=C(NC1CCCCC1)N(Cc1ccncc1)c1ccc2c(c1)OCO2 7559663 PFYYGBHHZXWFDW-UHFFFAOYSA-N 369.490 4.024 0 40 FIAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1CC 7610298 IRKJNYNUDKDAFI-UHFFFAOYSA-N 373.309 4.288 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 7734600 PJIGTSDDRMHIHM-UHFFFAOYSA-N 371.444 4.142 0 40 FIAB O=C1c2ccccc2C(=O)N1CSc1nc(-c2ccccc2)cs1 7778932 TXWUSUGTDQJWES-UHFFFAOYSA-N 352.440 4.156 0 40 FIAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)c1nnc(-c2ccccc2)o1 7831317 VMIQUOJYNZHBBO-CYBMUJFWSA-N 363.446 4.385 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8041787 CNQQIZRETQVZLB-GOSISDBHSA-N 374.868 4.276 0 40 FIAB COc1ccc(C)cc1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8157418 BHEAQQKNSNBBPM-UHFFFAOYSA-N 353.418 4.226 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@H](C)c2ccc(F)cc2)c1 9314099 CRVZRELIIPBVBY-SNVBAGLBSA-N 352.203 4.088 0 40 FIAB CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 9791479 ZQHZXCOTAHKBLY-VLIAUNLRSA-N 372.440 4.354 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F 10045291 ROINSHWVABICCT-UHFFFAOYSA-N 353.649 4.356 0 40 FIAB Cc1oc(-c2cccs2)nc1CSc1nnnn1Cc1ccccc1 10804878 UWJIKKNYCIKKFA-UHFFFAOYSA-N 369.475 4.039 0 40 FIAB O=C(NCc1nc2ccccc2n1CCCc1ccccc1)c1ccco1 11667240 ICFRXYFRDCNNKB-UHFFFAOYSA-N 359.429 4.192 0 40 FIAB CCSc1ncc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 11916323 JCYFUIGLERERBC-UHFFFAOYSA-N 372.675 4.257 0 40 FIAB Cc1cc(C)c([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1C 12562661 PPBFXZGETJODRS-UWJYYQICSA-N 350.462 4.357 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 12766989 FDMWZKQRIOCTTK-JOCHJYFZSA-N 358.441 4.473 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 12769594 JSTHNWJGERYQGQ-NSHDSACASA-N 373.378 4.397 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 12881308 HVLSMTLALKMMKM-IBGZPJMESA-N 371.483 4.019 0 40 FIAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccc(Cl)cc1 13086111 RNESQPJCZFNZCP-UHFFFAOYSA-N 355.777 4.209 0 40 FIAB Cc1cc(C(=O)Nc2ccc(C)c(I)c2)c(C)o1 13140966 SKMCEEXBGGROMH-UHFFFAOYSA-N 355.175 4.062 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[nH]4)cc3)cc2)cc1 14168366 WUWNIJAMHDUPJG-UHFFFAOYSA-N 371.400 4.220 0 40 FIAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2ccccc2o1 14574159 CGEODXNCKZUNGX-UHFFFAOYSA-N 351.362 4.128 0 40 FIAB Cc1cc(C)c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(Cl)c1 14849435 VZNNUCSLYXVOGZ-OAHLLOKOSA-N 356.853 4.487 0 40 FIAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)NC1CC1 15425669 JGCUFZFSMFXQCJ-CMDGGOBGSA-N 364.276 4.147 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)CN(C)[C@H]1CCCc2ccccc21 16342880 GWEFQZUJNFAPTJ-KRWDZBQOSA-N 362.926 4.369 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)N[C@@H](c3cccs3)C(C)C)CC2=O)c1C 21494397 WFGNTDWCZZNSOQ-OXJNMPFZSA-N 370.518 4.231 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)N(Cc1ccccc1)Cc1ccccc1 22250910 UTOWGIIEMPBVSM-UHFFFAOYSA-N 373.452 4.229 0 40 FIAB O=C(COc1ccc(F)cc1)OCc1cc(-c2cc3ccccc3o2)on1 22769047 NETKZJBAVLKSSO-UHFFFAOYSA-N 367.332 4.349 0 40 FIAB COc1ccc(C(=O)OCCNc2ncc(C(F)(F)F)cc2Cl)cc1 25330364 PCXPASXXIFVGDI-UHFFFAOYSA-N 374.746 4.031 0 40 FIAB CCOc1ccc(C(=O)N(Cc2ccccc2F)c2ccccn2)cc1 27992194 MXGJTKKFSOGMOH-UHFFFAOYSA-N 350.393 4.466 0 40 FIAB CC(C)C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1 30893984 IJKUJLVWZYVQQL-IBGZPJMESA-N 353.462 4.294 0 40 FIAB CC(C)[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)n1cnc2ccccc21 32932061 UWHTTZUONMUKHY-KRWDZBQOSA-N 359.376 4.474 0 40 FIAB O=C(Nc1ccccc1)[C@@H]1CCCN(c2ncnc3c2oc2ccccc23)C1 33290453 YQZAAFFBLKESQK-OAHLLOKOSA-N 372.428 4.231 0 40 FIAB Cc1cc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2cc1C 35311080 GZOVREQXUVXQIZ-UHFFFAOYSA-N 351.431 4.172 0 40 FIAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1Cl 36635891 TXVBKIOSCWHOBZ-ZDUSSCGKSA-N 369.635 4.391 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 38755535 MTAJPLWQQCZFCN-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB C[C@H]1C[C@H](C)CN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 40373053 ZANHFFQEVFCQHR-JTAQYXEDSA-N 367.533 4.174 0 40 FIAB C[C@H]1CCCC[C@H]1NCc1cc(=O)n2c(-c3ccccc3)csc2n1 40460184 HXMGWRZLDRZTMV-WMLDXEAASA-N 353.491 4.091 0 40 FIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 41076996 CFCPLRXIJFNWPW-UHFFFAOYSA-N 373.815 4.375 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(=O)OC)c1C 44850110 QXBADIXJIRZLDQ-IBGZPJMESA-N 355.434 4.195 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)ccc1Cl 44900999 IOJCMPZQAHSVOV-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB CCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 44965527 KLVZYRXLNAIPTH-UHFFFAOYSA-N 362.882 4.282 0 40 FIAB CNC(=O)c1ccc(NC(=O)N(C)[C@@H](C)c2ccccc2Cl)c(C)c1 47541668 KHYYGBNELSJTFP-ZDUSSCGKSA-N 359.857 4.233 0 40 FIAB CCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 47806722 HANNKVKLDGTRQX-UHFFFAOYSA-N 352.818 4.465 0 40 FIAB Cc1nn(C)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 48345814 QLXQLGAVIAKEIA-IBGZPJMESA-N 359.489 4.402 0 40 FIAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 57247986 WPAQRLSQTCDKIP-UHFFFAOYSA-N 359.853 4.344 0 40 FIAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cc2c(F)cccc2s1 61459969 VWEMDVRTSJLZBR-UHFFFAOYSA-N 365.389 4.043 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)cc1 67061088 HPHDPKXEJPARJC-AUUYWEPGSA-N 360.404 4.117 0 40 FIAB COCCn1ccc2c(NC(=O)Cn3ccc4ccc(F)cc43)cccc21 71288644 MKHUGOOPRMPQRH-UHFFFAOYSA-N 365.408 4.020 0 40 FIAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCCc2ccccc21 72222869 JKJOHXJVCPXGFD-UHFFFAOYSA-N 353.466 4.499 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1-c1cccs1 72329463 WQVITGBBIRNIOX-UHFFFAOYSA-N 351.353 4.087 0 40 FIAB O=C(C[C@@H]1CC(=O)Oc2cccc(Cl)c21)Nc1ccc(Cl)cc1 80345779 PSBGRVDPRDARRE-SNVBAGLBSA-N 350.201 4.415 0 40 FIAB COC(=O)c1[nH]c(C)c(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1C 89502481 LTEAZCIBYJGCMK-ZDUSSCGKSA-N 350.418 4.062 0 40 FIAB FC(F)(F)c1cc(N2CCN(c3nccs3)CC2)c2ccccc2n1 89866632 KWKABBUWUVDELU-UHFFFAOYSA-N 364.396 4.037 0 40 FIAB O=C1OC(c2cccc(F)c2)=N/C1=C/C1=Cc2cc(Cl)ccc2OC1 96018676 JEPBBHODQMCCEU-FRKPEAEDSA-N 355.752 4.142 0 40 FIAB CCn1c(NCc2ccc(OC)c(OC(F)F)c2)nc2cc(F)ccc21 97143606 DZVSJNLQBWMSLJ-UHFFFAOYSA-N 365.355 4.417 0 40 FIAB O=C(CC(=O)c1ccc(OC(=O)c2ccccc2)cc1O)c1ccccc1 100356802 KFJJJMUMADXNOJ-UHFFFAOYSA-N 360.365 4.067 0 40 FIAB C[C@H](NC(=O)COC(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102199719 KWSATXIUZKIKDW-CYDGBPFRSA-N 370.276 4.091 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1-n1ccnc1 216483387 CELDMQFKJWBLCB-KRWDZBQOSA-N 363.461 4.079 0 40 FIAB COc1ccc(/C=C/C(N)=O)cc1OCc1ccc(Cl)c(Cl)c1 216901564 UNKFUYRMVZZYGQ-QPJJXVBHSA-N 352.217 4.080 0 40 FIAB CCn1c(Cl)nc2cc(C(=O)N(C)Cc3cccn3C(C)C)ccc21 222558191 NOCQJECDQNMWAQ-UHFFFAOYSA-N 358.873 4.364 0 40 FIAB CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC 222572343 RPXQTCDVLRFWPJ-BKTGTZMESA-N 369.490 4.078 0 40 FIAB Cc1cc(C)cc(CSCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 222655832 MIHFYURMWKKDLP-INIZCTEOSA-N 371.502 4.185 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)COc1ccc(OC)cc1 222965001 AHDONPZXYSHBIH-YLJYHZDGSA-N 371.477 4.053 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC)cc1OC 223007510 OVLGLAZITAOHHI-KRWDZBQOSA-N 363.841 4.462 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2)cc1 223455113 DXDRJCQLGRQKAO-UHFFFAOYSA-N 362.395 4.231 0 40 FIAB Cc1nc(NC(=S)N[C@@H](C)c2ccccc2)ccc1Br 223955229 JOHKGEMHAAXZPD-JTQLQIEISA-N 350.285 4.200 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 225163693 RLOBTRAQNAGWID-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB CO[C@@](C)(C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1)C1CC1 225644693 NAFNKNUMIBVNIH-JOCHJYFZSA-N 374.525 4.085 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1C 225769478 HHNYPUWQCMUADB-ZDUSSCGKSA-N 365.524 4.309 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)NCCCc1ccccc1Cl 225813172 BHSVFOHDDLOHRT-UHFFFAOYSA-N 371.786 4.487 0 40 FIAB Cc1cc(C)nc(Nc2cccc(C(=O)N(C)Cc3ccccc3F)c2)n1 225914215 QYBDGNQAUMRIIA-UHFFFAOYSA-N 364.424 4.248 0 40 FIAB O=C(NCCc1cnc(-c2ccccc2)nc1)Nc1ccccc1Cl 244969133 GZVDIGLVEAKLSL-UHFFFAOYSA-N 352.825 4.161 0 40 FIAB Cc1nc2c(C(=O)N(C)[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)cccc2o1 280087893 RPCWQNLRAHCLTA-APWZRJJASA-N 368.408 4.268 0 40 FIAB Cc1ncsc1CN1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615127365 GAQKFRUFFPLSBS-QAPCUYQASA-N 359.514 4.470 0 40 FIAB O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCOCC1 942375 FIBJGSKZXFMDJG-UHFFFAOYSA-N 364.417 4.217 0 40 FIAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O 1011370 LHSMODDCRADMQZ-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB Cc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccccc2F)cc1 1153911 OFYAXVRJCFSWRO-LJQANCHMSA-N 368.433 4.247 0 40 FIAB CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 1359229 OPBIRQWKUGQJOF-UHFFFAOYSA-N 354.837 4.039 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1 2052125 CKDQXNSDURMECN-UHFFFAOYSA-N 368.462 4.283 0 40 FIAB CCCCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc21 2604857 MPSWZDVZFIABIM-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)N(C)C1CCCCC1 2653369 YWCSUXINKZLRCM-LLVKDONJSA-N 351.497 4.070 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)CCSc3ccccc3)c2C(N)=O)C1 3358078 OLVAUNIOIAFQMH-LBPRGKRZSA-N 374.531 4.093 0 40 FIAB C=C1c2cc3c(cc2CCN1C(=O)/C=C/c1ccccc1Cl)OCO3 4089783 TVVHYYGJMDIVMQ-VOTSOKGWSA-N 353.805 4.138 0 40 FIAB biogenic Cc1cc(C)nc(SCC(=O)Nc2nc(C)c(-c3ccccc3)s2)n1 4613867 LNTMACHAUDYTDO-UHFFFAOYSA-N 370.503 4.256 0 40 FIAB CCc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269301 DCSMRBIDHGWWIM-UHFFFAOYSA-N 366.848 4.365 0 40 FIAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc(OCc2ccccc2)cc1 5359274 XQTYXBGDNAHYRV-HNNXBMFYSA-N 367.474 4.118 0 40 FIAB COc1ccc(C[C@H]2SC(Nc3ccc(C(C)C)cc3)=NC2=O)cc1 5807930 YTMCNMNODNXHII-GOSISDBHSA-N 354.475 4.471 0 40 FIAB COc1cc(NC(=O)CSCc2ccccc2)c(OC)cc1Cl 6229602 KUFXAMQWMZKKEA-UHFFFAOYSA-N 351.855 4.229 0 40 FIAB CCCn1c(NC(=O)c2ccc(OCC)c(OCC)c2)nc2ccccc21 6516433 UPIGAMBMOKNAFE-UHFFFAOYSA-N 367.449 4.496 0 40 FIAB COC(=O)c1cc(NC(=O)Cn2c(C)cc3ccccc32)ccc1Cl 6714680 BYSNCPCPSPWZMO-UHFFFAOYSA-N 356.809 4.028 0 40 FIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccccc1F 6752993 FBFQCERIQVKZAB-HXUWFJFHSA-N 365.408 4.267 0 40 FIAB COc1ccc(C(=O)COc2ccc(Cl)c3cccnc23)c(OC)c1 7737517 HTZQKCWKFPEJNZ-UHFFFAOYSA-N 357.793 4.167 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)cc2s1 7778396 ADOSEMIIXDMFRW-VIFPVBQESA-N 369.471 4.290 0 40 FIAB COc1ccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)cc1OC 7955461 XZZYCVHRXUNHCE-UHFFFAOYSA-N 371.380 4.246 0 40 FIAB COc1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)cc1Cl 8126494 OSLHJPQJULJIJW-SFHVURJKSA-N 358.869 4.297 0 40 FIAB COc1ccc(C(=O)Nc2cccc3cccnc23)cc1Br 8132366 DLFDAZCWYSYMSA-UHFFFAOYSA-N 357.207 4.258 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)C(c2ccccc2)c2ccccc2)cc1 8391556 RODZEJIRCCAQKA-UHFFFAOYSA-N 351.471 4.405 0 40 FIAB O=C(Cc1ccc(F)cc1)NC[C@@H](c1ccsc1)N1CCCCCC1 8863071 AYUZWURHAHDCCU-IBGZPJMESA-N 360.498 4.163 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1 10111097 ABRIZANCYAGAMW-OAHLLOKOSA-N 354.947 4.203 0 40 FIAB O=C(CSc1ccc2c(c1)CCC2)Nc1ccccc1N1CCCC1=O 10346227 NJMOBGJYWVZQDH-UHFFFAOYSA-N 366.486 4.033 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Br)cc2)c1 10444007 LBPMKBOTCCZPNT-UHFFFAOYSA-N 362.223 4.187 0 40 FIAB COc1ccccc1N1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 12543792 PBCUURAWSHSAHJ-UHFFFAOYSA-N 370.449 4.011 0 40 FIAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cccc(F)c1 12792406 ULNMXHZSNZCGLD-UHFFFAOYSA-N 362.817 4.011 0 40 FIAB O=C1CCCCC[C@H]1Sc1nc2ccsc2c(=O)n1-c1ccccc1 12867437 XTQRJNDBRPXVIB-MRXNPFEDSA-N 370.499 4.441 0 40 FIAB CCc1ccc2c(CN(C)CCOc3ccc(C)cc3)cc(=O)oc2c1 12882382 IWDHIAFBCMAADL-UHFFFAOYSA-N 351.446 4.175 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cl)c1Cl 12977055 RHNDRDUXYPAYRA-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1 12994267 GVJNRJQNYBLFOU-CYBMUJFWSA-N 371.868 4.249 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1cc(C(=O)O)ccc1Cl 13317972 VICBHCZYQLKHIS-UHFFFAOYSA-N 356.230 4.422 0 40 FIAB Cc1ccc(NC(=O)c2cnc(Nc3nc(C)c(C)s3)nc2C)cc1 13610724 NCWRHYWOVBUNJZ-UHFFFAOYSA-N 353.451 4.163 0 40 FIAB O=C(NCCSCc1ccccc1F)c1ccccc1Br 13668319 VSNGYXVJMLPZKS-UHFFFAOYSA-N 368.271 4.251 0 40 FIAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cc(Br)c[nH]1 14228995 YHTVXQCGHICMQG-NSHDSACASA-N 371.687 4.398 0 40 FIAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Cl)c(C(F)(F)F)c1 14246820 FVDQZEWXSFTIKZ-UHFFFAOYSA-N 371.714 4.438 0 40 FIAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(OC(F)F)cc2)cc1 16780234 RTGIQEYEVYYDTM-UHFFFAOYSA-N 362.420 4.060 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1Cl 19932393 ZHDOCKLZBZMEIT-KRWDZBQOSA-N 367.898 4.414 0 40 FIAB CCc1ccc(OCCCn2c(CN(C)C(C)=O)nc3ccccc32)cc1 21523502 ZDTOQUCIKKPLNO-UHFFFAOYSA-N 365.477 4.046 0 40 FIAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)cc1C 21873390 NFGREMDCURPUNM-UHFFFAOYSA-N 372.476 4.378 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2ccccc2C)c(C(F)(F)F)c1 22311788 PWEIZSLXONODLI-UHFFFAOYSA-N 350.340 4.153 0 40 FIAB CCn1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(=O)c2ccccc21 22606011 LHCBTBUQMIYNPM-KRWDZBQOSA-N 362.473 4.438 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCC2=O)cc1 22874274 TXASVCQMTALDDD-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB C/C=C/c1ccc(OCC(=O)N2CCCc3cc(OC)ccc32)c(OC)c1 24875284 HTZKRTUNERYGBE-GQCTYLIASA-N 367.445 4.095 0 40 FIAB Cc1ccccc1[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 28189916 DPNZTMSHACWHMP-MJGOQNOKSA-N 366.490 4.042 0 40 FIAB COc1ccccc1C(=O)Nc1cnn(Cc2cccc3ccccc23)c1 28220926 OUJUBEUVOPMRON-UHFFFAOYSA-N 357.413 4.346 0 40 FIAB Cc1ccc(Cn2cc(NC(=O)COc3ccc4ccccc4c3)cn2)cc1 28230340 DOLHMIBOTBCUHR-UHFFFAOYSA-N 371.440 4.411 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CCSc2ccc(Cl)cc21 32862359 PJPWVWLLZZCUAX-ZDUSSCGKSA-N 362.838 4.427 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2F)o1)c1nc(-c2cccnc2)no1 32901500 GGTGDIKFBQSJGF-JTQLQIEISA-N 369.381 4.174 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1O 33816382 ZKCFHRYMOQJJGQ-UHFFFAOYSA-N 360.129 4.426 0 40 FIAB C[C@H](NC(=O)N(C)Cc1ccccc1Cl)c1ccc(-n2ccnc2)cc1 36397897 LALBPFMSGHAVHS-HNNXBMFYSA-N 368.868 4.428 0 40 FIAB O=C(Nc1ccc(F)cc1F)C1CCN(Cc2cccc(Cl)c2)CC1 39748900 UJEOPRWYDDFVNU-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)s1 39998597 JARNHUUBDSGUQM-LBPRGKRZSA-N 365.524 4.488 0 40 FIAB COc1ccccc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 40096386 AZXMBHQFUMEVKD-UHFFFAOYSA-N 367.493 4.347 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)[C@@H](C)n3ccnc3)sc2C)cc1 40145036 UAGIHZPELQTZLS-CYBMUJFWSA-N 354.479 4.467 0 40 FIAB C[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1cccc(Cl)c1 44141436 CYMKDAIBVSIVGZ-CQSZACIVSA-N 371.868 4.459 0 40 FIAB O=C(COc1ccc2cc(Br)ccc2c1)Nc1cccnc1 44410010 XXCVLDDWGPFBRR-UHFFFAOYSA-N 357.207 4.015 0 40 FIAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 44845633 BBLAHOZQMCMQLD-NSHDSACASA-N 374.289 4.183 0 40 FIAB CC(=O)Nc1ccc(NC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1Cl 45987481 FBNNTMWQYTYMLK-PXAZEXFGSA-N 367.877 4.015 0 40 FIAB CC(C)(C)n1ncc(C(=O)NCC2(c3ccccc3)CC2)c1C(F)(F)F 56307164 JKAZCXAWWFDUDR-UHFFFAOYSA-N 365.399 4.119 0 40 FIAB O=C(c1cnccn1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 58209738 CAOZVMIOHVCMRE-UHFFFAOYSA-N 373.243 4.021 0 40 FIAB COc1ccc(C2=NO[C@](C)(C(=O)OC34CC5CC(CC(C5)C3)C4)C2)cc1 66091613 BSYWBPKJICNAKZ-BZSBBKHJSA-N 369.461 4.090 0 40 FIAB Cc1cc(NC(=O)[C@@](C)(O)c2cccc(F)c2)ccc1Oc1cccnc1 76017751 BZXKMZPNURFHFL-NRFANRHFSA-N 366.392 4.168 0 40 FIAB CC(C)(C)OC(=O)NCC1CCC(C(=O)Nc2cccc3[nH]ccc23)CC1 95479262 ZDNWIBWSLUREHK-UHFFFAOYSA-N 371.481 4.438 0 40 FIAB COc1ccccc1/C=C/CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100763426 DEANCGHOCFBBKD-QVHAGIGGSA-N 367.464 4.362 0 40 FIAB CN1/C(=C/[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)C(C)(C)c2ccccc21 103455553 IVZMWOLSZWXFMQ-PZUDMAOCSA-N 366.417 4.087 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1 106781744 UOZXBNWHAFKEFY-AQTBWJFISA-N 369.442 4.119 0 40 FIAB Ic1ccc(Oc2ccc3c(c2)CCCC3)nc1 113588905 SFOODMZTLMLTCC-UHFFFAOYSA-N 351.187 4.357 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccccc2C(C)C)c1 222809900 BNOUUPXXQYMYMD-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cccc2ccccc12 223538581 CTNNUFFMLHUHBX-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223699329 SDEQIFLPGPEGSE-HNNXBMFYSA-N 359.441 4.086 0 40 FIAB Cc1cc(NC(=S)NCc2ccc(Cl)cc2)ncc1Br 223929304 NGAYWMMTYPFUON-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C)cc1C 224623337 ZERLEPIKRQCUNL-SFHVURJKSA-N 361.869 4.309 0 40 FIAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccc(Br)cc1 225424768 RMXVHAVGFPQZGK-UHFFFAOYSA-N 360.255 4.011 0 40 FIAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccccc2Cl)n1 225828214 VSEMQCQHTBOWHU-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB Cc1cccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(=O)oc12 226035259 GAVLYOCFJMKILD-UHFFFAOYSA-N 361.441 4.196 0 40 FIAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccccc3)sc1CC2 409055281 YHJMQEVROHDUNU-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB O=C(Cc1cccc2ccccc12)NCc1nccnc1-c1cccs1 575620396 MXAHJVDKVIYANG-UHFFFAOYSA-N 359.454 4.217 0 40 FIAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cc(-c2ccccc2)[nH]n1 585149476 WLQWABPJWUEQDU-LJQANCHMSA-N 367.474 4.036 0 40 FIAB CCOc1ccc(C(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)cc1 669637388 MWDLSBAPZQGRMJ-INIZCTEOSA-N 373.499 4.339 0 40 FIAB Cc1ncccc1C(=O)N1CCC[C@H]2[C@@H]1CC(C)(C)N2c1ccc(F)cc1 1615154126 DKYIGAGLKXYBMS-PMACEKPBSA-N 367.468 4.191 0 40 FIAB C/C(=C(/NC(=O)c1ccccc1)C(=O)Nc1ccccc1)c1ccccc1 667872 UXKYACSEBDUVDR-FXBPSFAMSA-N 356.425 4.486 0 40 FIAB O[C@@H]1c2cc3ccccc3nc2Sc2nc(-c3ccc(Cl)cc3)nn21 688103 LRGMQRZOSLJIJX-QGZVFWFLSA-N 366.833 4.151 0 40 FIAB O[C@@]1(c2ccc(Cl)c(Cl)c2)C[n+]2ccccc2N1Cc1ccccc1 1294396 XFLFINVBZKJRQD-HXUWFJFHSA-N 372.275 4.146 0 40 FIAB CCN(CC)c1nc(SC)nc(Cl)c1Cc1ccc(OC)cc1 1307745 UZWCZJVEPBKJFM-UHFFFAOYSA-N 351.903 4.298 0 40 FIAB CCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccccc2C)s1 1345286 QYQWCNKESMKFOE-UHFFFAOYSA-N 351.475 4.499 0 40 FIAB O=C(Nc1ccccc1)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400124 RIOSYAFXPQOVGI-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB Nc1nc(SCc2ccc(Cl)cc2)nc2nc3c(cc12)CCCC3 1428216 NDDOAILTBZBPBK-UHFFFAOYSA-N 356.882 4.432 0 40 FIAB aggregator CCCCn1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 2251306 GZZGKMXJCQJNJZ-UHFFFAOYSA-N 354.454 4.170 0 40 FIAB Brc1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 2427920 JESRTBMLTJVQGT-STQMWFEESA-N 361.268 4.248 0 40 FIAB O=C(CSc1nc2ccccc2o1)Nc1cccc(Br)c1 3618887 QRSCQSVSSKPMCR-UHFFFAOYSA-N 363.236 4.321 0 40 FIAB O=C(CCn1c(=O)sc2ccccc21)Nc1cc(Cl)ccc1Cl 4121594 WPOKFRZVHCWGLU-UHFFFAOYSA-N 367.257 4.399 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)C(O)(c1ccccc1)c1ccccc1 4256963 DWDQKLYPTWAANY-UHFFFAOYSA-N 361.485 4.008 0 40 FIAB Clc1ccc(-n2ncc3c(SCc4ccccn4)ncnc32)cc1 4271743 ZFSKKGFEWJDHPG-UHFFFAOYSA-N 353.838 4.156 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1NC(=O)c2c(sc(C)c2C)N1 4501928 NSTAQZGQKDLZGW-INIZCTEOSA-N 372.881 4.367 0 40 FIAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccccc2F)C1=O 4513755 ORGRPUDFTHZSJD-KRWDZBQOSA-N 367.207 4.100 0 40 FIAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccccc3C)n2)cc1 4526299 ADVTYEGJROKNRR-SFHVURJKSA-N 363.417 4.031 0 40 FIAB COc1ccc(C(=O)Nc2nc3ccc(SC)cc3s2)cc1OC 5299112 LVQSQWVBXGJJEK-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB CCCc1ccc(Oc2cc(-n3ncc(C(C)=O)c3C)nc(C)n2)cc1 5423147 UBBDLMWVVHNLJG-UHFFFAOYSA-N 350.422 4.227 0 40 FIAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4c(c3)CCC4)cc12 5583354 VRFLPYMXMVKKJS-UHFFFAOYSA-N 370.456 4.123 0 40 FIAB C[C@@H](Oc1nncc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 6051630 CYMMDHHGVIHKSC-SNVBAGLBSA-N 362.216 4.343 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCc2cn3cc(Cl)ccc3n2)cc1 6160920 XVQADLVXTCNAKL-UHFFFAOYSA-N 369.881 4.478 0 40 FIAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1 6549646 FJICDXNZMZPHRR-CQSZACIVSA-N 364.474 4.264 0 40 FIAB CCCOc1ccccc1NS(=O)(=O)c1cccc(Br)c1 6623197 QBOBVAPZFXEESW-UHFFFAOYSA-N 370.268 4.039 0 40 FIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C)cc1 6752968 LPNNQWLNJYQDFX-NRFANRHFSA-N 361.445 4.436 0 40 FIAB CCCCn1nnnc1COc1c(Cl)cc(Cl)c2ccc(C)nc12 6841174 ZRMVKJJSOPGRSZ-UHFFFAOYSA-N 366.252 4.216 0 40 FIAB CCc1ccc([C@H]2C[C@@H](c3ccc(OC)c(OC)c3)n3ncnc3N2)cc1 6947745 ZYWGWVJPPXKDTA-MSOLQXFVSA-N 364.449 4.004 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)Nc1cccc(C(C)=O)c1)O[C@@H](C)C2 7968805 GFIWGVUCTMKWOZ-VFNNOXKTSA-N 365.429 4.263 0 40 FIAB COc1cc(SC)ccc1C(=O)N(C)Cc1nc2ccccc2s1 8244157 AXBGAJOKOOJMOS-UHFFFAOYSA-N 358.488 4.299 0 40 FIAB CSc1cccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c1 8395614 ZCPJAOYUQGQPHZ-UHFFFAOYSA-N 362.882 4.211 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(Cl)cc2)n1 8476832 JFCKUABUHVLVIU-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 8495227 WJALBQGKTSEUQM-QGZVFWFLSA-N 361.441 4.368 0 40 FIAB COc1ccc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 8714245 SCOTYVOZVGJIRX-UHFFFAOYSA-N 361.397 4.187 0 40 FIAB Cc1nc2c(=O)n(Cc3ccccc3F)nc(-c3cccs3)c2s1 8956038 CCOXAPXZMIUAKA-UHFFFAOYSA-N 357.435 4.077 0 40 FIAB Cc1ccc2cccc(OCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)c2n1 10900792 YDJJBNNMZRBBON-HNNXBMFYSA-N 352.409 4.281 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccc(F)c2c1C(=O)C[C@@H]2C 12931359 JUCQZLQHRIQOHE-QWHCGFSZSA-N 371.408 4.239 0 40 FIAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccccc1O 12990652 CJNGPIUYKTXYAK-UHFFFAOYSA-N 374.849 4.262 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)C(C)C)c(C)n1 13001931 NXQWWZFCRZWGCX-LJQANCHMSA-N 357.523 4.261 0 40 FIAB Fc1cccc(-c2nnc3sc(-c4ccc(Cl)nc4Cl)nn23)c1 13721536 MGIXXQBBODQXSG-UHFFFAOYSA-N 366.208 4.361 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Br)s1 15091592 NYDREWZLXFYPJJ-UHFFFAOYSA-N 367.293 4.393 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 15154172 IALQZCSRVPWXJQ-GOSISDBHSA-N 373.452 4.482 0 40 FIAB CC(C)CNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881107 KBOGAXFVICMHOT-UHFFFAOYSA-N 353.462 4.365 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(CN(C)C)cc1 16102473 SQHHEBLJTRVBHH-UHFFFAOYSA-N 371.531 4.172 0 40 FIAB O=C(NCC1(N2CCCCC2)CCCCC1)Nc1ccc(F)cc1F 18177769 WVCWODXEBCTKFU-UHFFFAOYSA-N 351.441 4.275 0 40 FIAB COc1ccccc1/C=C/c1nn2c(-c3cccc(F)c3)nnc2s1 19897313 JWHDYZKBMXCIBJ-MDZDMXLPSA-N 352.394 4.171 0 40 FIAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2N2CCCCCC2)cc1 22829161 OQWJSSINOJTVJZ-UHFFFAOYSA-N 366.461 4.287 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1cn2cc(Cl)ccc2n1 24452922 DPJGCYBTGUJJQH-LLVKDONJSA-N 365.216 4.152 0 40 FIAB Cc1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCCCCC2)cc1 27741409 HIGMTRUCSBDBLE-OAQYLSRUSA-N 354.469 4.481 0 40 FIAB Cc1cc(NC(=O)c2ccn(COc3ccccc3C)n2)c2ccccc2n1 27972315 SCQATOCUGPEKFD-UHFFFAOYSA-N 372.428 4.337 0 40 FIAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 31334812 FMWJYOYZUBNVRI-ZBFHGGJFSA-N 374.868 4.005 0 40 FIAB O=C(OCc1nnsc1Cl)c1cc2c(s1)-c1ccccc1OC2 32776073 PPPAWOUQGHAGGJ-UHFFFAOYSA-N 364.835 4.169 0 40 FIAB COc1ccc(CNC(=O)NCCSc2ccc(Cl)cc2)cc1F 32803656 NXFWBXJDBJSYOJ-UHFFFAOYSA-N 368.861 4.079 0 40 FIAB Cc1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1F 32930335 LEWOVVDBHBEQOG-UHFFFAOYSA-N 350.393 4.038 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 33616047 NSJJBXJMCAEZOV-MNEFBYGVSA-N 372.509 4.043 0 40 FIAB Cc1cc(C)n2nc(NCc3ccccc3)c(NC(=O)c3ccccc3)c2n1 35671219 CHXWEWOATORMBW-UHFFFAOYSA-N 371.444 4.211 0 40 FIAB Cc1cc2occ(CC(=O)OCC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c2cc1C 36386108 UGICOPXFTGTHBJ-AXHNFQJDSA-N 371.477 4.076 0 40 FIAB Cn1nc(-c2cccs2)cc1C(=O)Nc1nc(-c2ccco2)cs1 42384107 HVWAHPNISNQGED-UHFFFAOYSA-N 356.432 4.117 0 40 FIAB COCCn1c(SCc2cccc(Br)c2)nc(C)c1C 46028807 UIGMIYPMNPWCNR-UHFFFAOYSA-N 355.301 4.201 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc(C)no3)cc2)cc1 49027108 JWEDEVYEKWGUCT-UHFFFAOYSA-N 351.406 4.476 0 40 FIAB O=C(c1c(F)cccc1F)N1CCC(Oc2nc3ccccc3s2)CC1 49430870 AYCYOZLOWPFXSP-UHFFFAOYSA-N 374.412 4.258 0 40 FIAB COc1ccc(N(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)[C@@H](C)C2CC2)cc1 58171926 LNIBIYZOBQRPAT-RNODOKPDSA-N 371.864 4.484 0 40 FIAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H]2CCCO2)c1 61997246 LYMOLWFFOVIOEG-QGZVFWFLSA-N 364.401 4.111 0 40 FIAB Cc1nc2ccc(NC(=O)NCCCc3nc4c(s3)CCCC4)cc2o1 66158942 XPHLKEVWYNRCIC-UHFFFAOYSA-N 370.478 4.226 0 40 FIAB CCCn1nc(C)cc1NC(=O)c1nnsc1-c1ccc(Cl)cc1 72242886 ZZZCLAYYIJFITC-UHFFFAOYSA-N 361.858 4.026 0 40 FIAB CCC(=O)N1CCC[C@@H](c2cc(Cc3ccccc3OC)cc(C)n2)C1 72353847 MJHZKFHQZZAARM-LJQANCHMSA-N 352.478 4.105 0 40 FIAB CC(C)c1cc(C(=O)Nc2nc3c(s2)CCC3)n(-c2ccccc2)n1 72404917 IEWLPMVTRLXHJD-UHFFFAOYSA-N 352.463 4.193 0 40 FIAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H]1c2ccccc2CCC1(C)C 89505749 DKNKBEGMDURAME-XOBRGWDASA-N 353.510 4.045 0 40 FIAB Cc1ccc(SCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 95482225 HCVAEWGYJWNNIT-UHFFFAOYSA-N 373.865 4.107 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1nnc(-c2ccccn2)s1 95950722 PYDFWDMFCDBQCI-UHFFFAOYSA-N 373.441 4.223 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1ccc(C)s1 96104890 HFCZQRIJPYRXEU-CQSZACIVSA-N 354.859 4.228 0 40 FIAB CCCn1/c(=N/C(=O)c2ccc(C)cc2C)sc2cc3c(cc21)OCO3 101061473 XPWJLNLNWAPQCJ-MRCUWXFGSA-N 368.458 4.199 0 40 FIAB CCc1ccccc1N[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 101277054 DFHYCWYRSRYVKZ-AWEZNQCLSA-N 363.244 4.300 0 40 FIAB C[C@H](NC(=O)CSc1ccc(Br)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102159430 MFOACQKXBLKPFX-QCQGSNGOSA-N 368.340 4.482 0 40 FIAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCCCC2)c1 205610831 CPJAIZUBZAPZTM-RGEXLXHISA-N 368.502 4.276 0 40 FIAB COc1ccc(CNC(=O)N2CCS[C@H](c3ccccc3)CC2)cc1 211144803 YWLRLNVCARRECZ-IBGZPJMESA-N 356.491 4.085 0 40 FIAB COc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Cl 222580989 XAGDBFWIAPNSND-JECHBYEQSA-N 359.882 4.333 0 40 FIAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 223101783 DGQUPNAKUOHHOK-OAHLLOKOSA-N 355.434 4.311 0 40 FIAB O=C(CSCc1ccccc1)NCCOc1cccc2ccccc12 223508723 QZUAWZQJSSMHAZ-UHFFFAOYSA-N 351.471 4.268 0 40 FIAB CC1(C)CCc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O1 223658047 QLJSKIYTMVWJCX-UHFFFAOYSA-N 351.855 4.244 0 40 FIAB Cc1c(Br)cnc(NC(=S)NCc2ccccc2)c1Cl 223922115 NPASDAIBAXYSSR-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1 224465267 FOGNTNAXGUZOLI-NRFANRHFSA-N 371.477 4.000 0 40 FIAB COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C 224652263 VWIVDGKFWZNUIT-GOSISDBHSA-N 353.462 4.273 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1C(C)C 224928011 SRXNXCVCHZHURP-UHFFFAOYSA-N 374.506 4.220 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)COc1cc(C)ccc1C(C)C 225102395 IWEZEIHKJOSJNK-LJQANCHMSA-N 360.542 4.268 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccc3c(c2)sc(=O)n3CC)cc1 225111296 IUPKYCFIKCFBQD-UHFFFAOYSA-N 354.475 4.217 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CCC[C@@H](Oc2ccncc2Cl)C1 575611930 GXMOAKCRUPEWNC-LLVKDONJSA-N 367.783 4.089 0 40 FIAB COc1c(C)cc([C@@H](C)NC2CCN(Cc3ccccn3)CC2)cc1Cl 585081818 HSIXFPWKBKYARF-MRXNPFEDSA-N 373.928 4.367 0 40 FIAB Cn1c([C@@H]2CCCN2C(=O)CCCCCn2cccc2)nc2ccccc21 604419788 XWRKULQRKMEXOG-FQEVSTJZSA-N 364.493 4.299 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CC(C4CC4)C3)nn2-c2ccccc2)cc1 643290876 ZMPIQUCRZPVANF-UHFFFAOYSA-N 373.456 4.030 0 40 FIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cc(Cl)ccc1OC 1565524165 CYLYUSLFYHAUAB-UHFFFAOYSA-N 361.854 4.411 0 40 FIAB CSCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1C)=NC2 702134 OUAQITFIOSKKTP-UHFFFAOYSA-N 368.893 4.443 0 40 FIAB COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)OC3)ccc1O 1442002 UFZIWWNZEIKMCA-NRFANRHFSA-N 359.381 4.031 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N1CCCCC1 1470814 KKDABYQDTWHXFZ-OAHLLOKOSA-N 370.880 4.384 0 40 FIAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 1906775 UASLRUPFHJTXGZ-UHFFFAOYSA-N 355.438 4.232 0 40 FIAB CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1Cl 2057293 CFGUTMHMENXDAK-INIZCTEOSA-N 350.846 4.044 0 40 FIAB CCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 2428685 FYSXKSLANVLXAH-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB Cc1ccc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc1Cl 2971875 VISJXCYHJAGRQV-UHFFFAOYSA-N 373.865 4.050 0 40 FIAB CCOC(=O)c1csc(NC(=O)c2sc3ccccc3c2Cl)n1 3186003 AFLWZXJTBZPPFD-UHFFFAOYSA-N 366.851 4.440 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 3313927 KIZGHQZJQCKOEF-UHFFFAOYSA-N 364.445 4.289 0 40 FIAB COc1ccccc1NC(=S)NCCNc1cccc2ccccc12 3356265 ATSRDQBIGCRETR-UHFFFAOYSA-N 351.475 4.247 0 40 FIAB CSc1ccccc1NC(=O)CN(C)C(=O)c1oc2ccccc2c1C 3422556 KSWSWODGFYGOPQ-UHFFFAOYSA-N 368.458 4.174 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccccc2OCCOc2ccccc2)o1 3504411 ONSFYNJIFDZJCR-UHFFFAOYSA-N 365.429 4.318 0 40 FIAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(F)cc3)sc1CC2 3651751 PTNSDXFVGMYWKX-UHFFFAOYSA-N 354.406 4.309 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc(Cl)c1 4003166 GXDLHXMDUUDXTF-UHFFFAOYSA-N 353.731 4.347 0 40 FIAB O=C(COc1ccc(Cl)cc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 4138232 WPMXKPCXZASXQG-UHFFFAOYSA-N 368.864 4.395 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)c3ccc(OC(C)C)cc3)nc12 4331421 UMEIQOUKLNIWKE-UHFFFAOYSA-N 372.446 4.353 0 40 FIAB COc1cccc2c1CC[C@H]1[C@H]2CC[C@@]2(OC(C)=O)CC(=O)CC[C@@]12C 4532268 JVKYKDNHRIEHDG-XODARUQUSA-N 356.462 4.196 0 40 FIAB C[C@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1 4664866 QZHRCDTUIZFOPW-CQSZACIVSA-N 362.267 4.126 0 40 FIAB COC(=O)c1ccc(CSc2nnc(Nc3cccc(C)c3)s2)o1 4838321 MIHDWJNYYWLWOW-UHFFFAOYSA-N 361.448 4.262 0 40 FIAB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccccc1 4947453 CIKGAJQYTSJBTL-UHFFFAOYSA-N 373.865 4.023 0 40 FIAB Cc1ccc(C)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 5094318 XQIVISYNJLBYNR-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB Cc1cccc(Cn2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2=O)c1 5269696 STHIHTVWTLGCHT-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB Cc1cc(=O)n(C[C@H]2CC(c3ccccc3Cl)=NO2)c2ccccc12 5341794 VOOJGCYWLXADSN-CQSZACIVSA-N 352.821 4.157 0 40 FIAB CCOP(=O)(OCC)[C@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12 5395557 XBRZIMWUAYLLQW-HKUYNNGSSA-N 362.410 4.496 0 40 FIAB Cc1sc2nc(-c3ccc(-c4ccccc4C(=O)O)o3)[nH]c(=O)c2c1C 5611932 AMOARAHKRABYEW-UHFFFAOYSA-N 366.398 4.227 0 40 FIAB Cc1ccc2nc([C@H]3CCCN(C(=S)NCc4ccccc4)C3)[nH]c2c1 5988517 YEWSRHQSULAMOK-KRWDZBQOSA-N 364.518 4.125 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2nnc(Cc3ccccc3)s2)c(C)c1 6334346 OQTHIOFVWOSCJW-UHFFFAOYSA-N 367.474 4.072 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 6560154 VGWMNFXXYNASPC-UHFFFAOYSA-N 362.455 4.020 0 40 FIAB CCc1ccc(NC(=S)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 6583911 HCIMHTLXSIFYIL-OAHLLOKOSA-N 350.491 4.482 0 40 FIAB CSc1nsc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1 6721351 FSTHUEWLUJVAOL-SDDRHHMPSA-N 360.570 4.356 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 7002966 HHDXYLAXAPPDQF-INIZCTEOSA-N 365.477 4.319 0 40 FIAB COc1ccc(Br)cc1/C=C/C(=O)NCC1CCCCC1 7007390 QHDGACITVQWREC-JXMROGBWSA-N 352.272 4.167 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(OC)cc2)cc1 7275420 LIHVAGALGFDDLF-UHFFFAOYSA-N 366.461 4.366 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1cccc(Br)c1 7405600 YXBPFYYQRBCMTG-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574161 IRUOYVOUZHMVPL-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccccn3)n2)cc1 7643940 RNNJETOIFXRASA-CQSZACIVSA-N 351.475 4.329 0 40 FIAB COc1cccc(-c2nc(COC(=O)c3cccnc3SC)cs2)c1 7657886 VROCWJKUKAVYHE-UHFFFAOYSA-N 372.471 4.293 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc2ccccc2n1 7719437 ZAAHLKDYYDWKRM-UHFFFAOYSA-N 355.397 4.461 0 40 FIAB CN1C(=O)Cc2cc(-c3csc(NCc4ccc(F)cc4)n3)ccc21 8298832 HGMHDPHMGRQHCX-UHFFFAOYSA-N 353.422 4.080 0 40 FIAB CCc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1-c1ccccn1 8715245 LQZIORPRMUYNIM-UHFFFAOYSA-N 361.232 4.389 0 40 FIAB Cc1cc(C)nc(SCc2ccccc2C(=O)OCC(=O)C(C)(C)C)n1 9555780 DGZWPSFVEQZXSI-UHFFFAOYSA-N 372.490 4.158 0 40 FIAB COc1ccc(SCCC(=O)Nc2nc(-c3ccccn3)cs2)cc1 10219583 ULWFDLZDJHPCLX-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB COc1ccc(CNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cn1 11006192 NJAKHZAQLXPZKC-UHFFFAOYSA-N 371.440 4.028 0 40 FIAB O=C(Nc1cccc(NC(=O)c2c[nH]nc2-c2ccccc2)c1)c1ccco1 11361472 SWXNXVQCTSEYQT-UHFFFAOYSA-N 372.384 4.174 0 40 FIAB CC[C@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 12239770 IKOCHHCVEWMIMI-GOSISDBHSA-N 371.550 4.042 0 40 FIAB C[C@H]1CCCN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)[C@@H]1C 12365438 SGHMKUYXKPWNIZ-JKSUJKDBSA-N 370.497 4.464 0 40 FIAB C[C@H]1C[C@@H](C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 12763124 IWSXDFHTBYOYEO-CALCHBBNSA-N 360.461 4.052 0 40 FIAB CCn1cc(C(=O)OCCOc2ccccc2C(C)=O)c2ccccc21 12772046 VMFUPDOOSAWSNR-UHFFFAOYSA-N 351.402 4.100 0 40 FIAB COc1ccc([C@@H]2c3c([nH]c(=O)c4ccccc34)N=C3C=CC=CN32)cc1 12788424 OGLDESIEHMDDBZ-HXUWFJFHSA-N 355.397 4.055 0 40 FIAB O=C(N[C@@H](c1ccccc1)c1cccs1)c1cc2ccccc2[nH]c1=O 12887892 DZTRMXPVMJCMNY-IBGZPJMESA-N 360.438 4.109 0 40 FIAB COCC(=O)N(Cc1cc2ccc(C)cc2nc1O)c1ccc(C)c(C)c1 13479854 XRJKQUYTKUZBHJ-UHFFFAOYSA-N 364.445 4.045 0 40 FIAB Cc1cccc(NC(=O)N2CCCN(C(=O)Nc3cccc(C)c3)CC2)c1 14242491 QUWCSHFSZPWNPF-UHFFFAOYSA-N 366.465 4.075 0 40 FIAB C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc(Cl)cc1 14260775 ZMFQDPITAGLCDZ-BBRMVZONSA-N 356.853 4.108 0 40 FIAB O=C(OCc1cc(F)cc2c1OCOC2)c1ccc2c3c(cccc13)CC2 14703031 TZTBJJLIYSVWBQ-UHFFFAOYSA-N 364.372 4.301 0 40 FIAB Cc1ccc([C@H](NS(=O)(=O)c2cccs2)c2ccccc2)cc1C 15329050 WWZNAZORJTYDOU-LJQANCHMSA-N 357.500 4.433 0 40 FIAB COc1ccc2nc(NC(=O)c3nc(Cl)ccc3Cl)sc2c1 16021350 CIWIJSCMOHPMNU-UHFFFAOYSA-N 354.218 4.259 0 40 FIAB O=C(NCc1ccccc1)Nc1ccc(NC(=O)NCc2ccccc2)cc1 19075285 IXSNNYIGFKCUTB-UHFFFAOYSA-N 374.444 4.330 0 40 FIAB CCn1nc(C(C)C)cc1C(=O)N1CCc2[nH]c3c(C)cccc3c2C1 19524127 XUQUWWYZKMYLIP-UHFFFAOYSA-N 350.466 4.015 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)CC2CCN(C(=O)C(C)C)CC2)cc1C 19748185 PGKSERZXRBUNQB-OAQYLSRUSA-N 370.537 4.252 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 20029990 IOCXBDNNLFFUPR-NSHDSACASA-N 371.911 4.110 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C 20104839 XWQAXTJOTZLHSS-QGZVFWFLSA-N 368.477 4.158 0 40 FIAB Cc1cccc(-n2c3c(c(=O)[nH]c2=S)CN(C2CCCCC2)CN3)c1C 20418029 GTESEIVZYWRMMQ-UHFFFAOYSA-N 370.522 4.030 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 20452265 YTPRMCYHPLHYEF-IRXDYDNUSA-N 371.477 4.170 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 20454437 BCJDMDZCLDOHLO-HNNXBMFYSA-N 371.477 4.085 0 40 FIAB Cc1ccc(-c2n[nH]c(SCc3cc(=O)c4cccc(F)c4[nH]3)n2)cc1 21099094 JDEKEGVDIAHLRZ-UHFFFAOYSA-N 366.421 4.053 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 22515336 BFMVRGVKRKMQMQ-KRWDZBQOSA-N 366.461 4.145 0 40 FIAB FC(F)(F)c1nc2ccccc2n1Cc1cc(Cl)c2c(c1)OCO2 23055663 AJRMRVUOZILQHL-UHFFFAOYSA-N 354.715 4.486 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CSCc1cccc(C)c1 23654492 JWGJDRXODXWBMV-UHFFFAOYSA-N 356.491 4.007 0 40 FIAB Cc1cc(SCC(=O)NC(=O)Nc2ccccc2F)nc2ccccc12 24717196 DFMXBRSLYJIQGB-UHFFFAOYSA-N 369.421 4.123 0 40 FIAB CC[C@@H](C)Cc1c(C)sc2nc(SC[C@H]3CCCO3)[nH]c(=O)c12 25255520 GGJPEZVSAYASDL-ZYHUDNBSSA-N 352.525 4.153 0 40 FIAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1OC(F)F 25300611 YGDJWVYYORYBJH-SECBINFHSA-N 360.282 4.193 0 40 FIAB COc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1F 26047165 AROMGJVOZBXSNK-UHFFFAOYSA-N 356.422 4.303 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1C 27823559 SBILCSUZBDBCCV-UHFFFAOYSA-N 353.509 4.104 0 40 FIAB O=C(Nc1cccc2cccnc12)c1ccc(Cn2cc(Cl)cn2)cc1 27969714 JRNMBERMOFMRGF-UHFFFAOYSA-N 362.820 4.385 0 40 FIAB Cc1cc(C)n(C2=Nc3sc4c(c3[C@@H](NCCC(C)C)N2)CCCC4)n1 28286558 FUFYRUHFAUZHCN-SFHVURJKSA-N 371.554 4.214 0 40 FIAB CCCCc1nnc(NC(=O)c2csc(-c3ccsc3)n2)s1 29477014 KRNSLALMECETNV-UHFFFAOYSA-N 350.494 4.318 0 40 FIAB CCC[C@H](NC(=O)[C@H](C)Sc1ncc2ccccn12)c1ccccc1 32575070 UBLZJWGZJCGQNQ-YJBOKZPZSA-N 353.491 4.473 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(-n2cnnc2)c1 32646857 JFFZGDPZDWPEDF-UHFFFAOYSA-N 370.840 4.062 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccc(F)c(F)c2)c1 36358507 MDEWCQABBNHKLS-CQSZACIVSA-N 355.344 4.283 0 40 FIAB COc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 40485926 QMORHEOMWDMUOM-OAQYLSRUSA-N 372.424 4.143 0 40 FIAB Cc1ccc(CN(C)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 44013722 OELCBPNKEVOHMZ-UHFFFAOYSA-N 365.477 4.203 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)n[nH]2)cc1 44839098 HDVMUOIIBVYUGD-UHFFFAOYSA-N 359.351 4.334 0 40 FIAB CC(C)CCC(=O)Nc1ccnn1Cc1cccc(Br)c1 57996624 GNMGYXVCWLROAM-UHFFFAOYSA-N 350.260 4.069 0 40 FIAB CCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(NC(C)=O)c2)cc1 63443963 RBDQAKGGYJAOIV-UHFFFAOYSA-N 366.870 4.052 0 40 FIAB Cc1ccc(F)c(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 64335251 SBHJVZUXSMDOBR-SNVBAGLBSA-N 362.455 4.316 0 40 FIAB O=C(Nc1ccc(Cl)cn1)c1nnsc1-c1ccc(Cl)cc1 72242905 RLUAORGRQBLDTB-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB COc1cc(C(=O)N[C@H](C)CCc2ccccc2)nc2c(C)cc(F)cc12 72329535 OEFAVPBGOLENPG-OAHLLOKOSA-N 366.436 4.442 0 40 FIAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCCN2C(=O)C(C)C)n1 72383679 UQKXCOUVYIKGMD-AWEZNQCLSA-N 359.499 4.003 0 40 FIAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(c2ccsc2)CC1 75157163 KIZWYRJDIYTSPK-UHFFFAOYSA-N 355.912 4.278 0 40 FIAB O=C(Nc1ccccn1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 76092053 RXXPVTCRPKMJTE-UHFFFAOYSA-N 364.493 4.134 0 40 FIAB Cc1ccc(C)c2c(C)c(C(=O)Nc3cccc(C[S@@](C)=O)c3)oc12 78733302 NQOOIZRQQSADAW-VWLOTQADSA-N 355.459 4.489 0 40 FIAB O=C(NCc1ccccc1Cn1ccnc1)c1cc(Cl)sc1Cl 84504891 URPXYFACCTUNEW-UHFFFAOYSA-N 366.273 4.230 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 84636453 MVIYCFGXXOCZHT-GDBMZVCRSA-N 372.465 4.198 0 40 FIAB CC(C)[C@@H](CNC(=O)C(C)(C)[C@H](O)c1ccc(O)cc1)c1ccccc1 95436654 BAGNJWRVOARSSP-WOJBJXKFSA-N 355.478 4.008 0 40 FIAB COc1ccc([C@H]2SCC(O)=Nc3ncn(-c4ccccc4)c32)cc1O 95472539 PJPORWGLBYYMCM-GOSISDBHSA-N 367.430 4.011 0 40 FIAB Cc1ccc(C(=O)N(C)c2ccc(Br)cc2Cl)c(C)n1 97712527 BLHHOLQKOHNLBW-UHFFFAOYSA-N 353.647 4.391 0 40 FIAB Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)c1 100424864 NUVVCMHVENXTJO-FGZHOGPDSA-N 366.480 4.450 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)c(Cl)c1Cl 113935786 BSQRUCYEAITDAJ-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 115562538 LLGPOWDZAWNSEL-UHFFFAOYSA-N 368.477 4.321 0 40 FIAB COc1cc(-c2nc3ccc(-n4cccc4)cc3o2)cc(OC)c1OC 216743879 CBRRWSWUNOSOGT-UHFFFAOYSA-N 350.374 4.311 0 40 FIAB Cc1ccc(-c2noc(CNC(=O)c3ccccc3SC(C)C)n2)cc1 219658607 WYJDOMMONJCITO-UHFFFAOYSA-N 367.474 4.476 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2cccc(Cl)c2)cc1C 223405312 DAIVBBYAPUWAIK-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(F)cc1 223895403 KRBQREXJLZIZGL-INIZCTEOSA-N 355.453 4.221 0 40 FIAB COc1ccc(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C 224279769 PLDOTTKDALVKDW-SFHVURJKSA-N 353.462 4.273 0 40 FIAB C[C@H](CNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 224534621 IGRMTHZWGRZUFZ-QGZVFWFLSA-N 370.924 4.472 0 40 FIAB COc1ccccc1OCCNC(=O)[C@H](C)Cc1cccc2ccccc12 224942059 YRDDABJUSZOUKC-QGZVFWFLSA-N 363.457 4.222 0 40 FIAB CCOC1(C(=O)Nc2ccc(O[C@@H](C)COC)c(Cl)c2)CCCCC1 225710479 GWWCROPOUKPZKU-AWEZNQCLSA-N 369.889 4.432 0 40 FIAB COCCC1(NC(=S)Nc2cccc(Br)c2)CCCC1 225845779 ATAZWACRFRKLEO-UHFFFAOYSA-N 357.317 4.085 0 40 FIAB CCc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1 226253216 JDIYHHGIDMNIRP-UHFFFAOYSA-N 367.493 4.085 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1Cl 408585014 AKTSBEBOVLCOJR-AWEZNQCLSA-N 367.898 4.038 0 40 FIAB OC[C@@H](C1CC1)N(Cc1ccccc1)Cc1cc2cc(Cl)cnc2o1 648520436 GORSXRAQHWQGJV-IBGZPJMESA-N 356.853 4.254 0 40 FIAB Cc1ccccc1-c1noc(CN(C)Cc2cccc(OC(C)C)c2)n1 677380261 WFGCDHFQWAETAO-UHFFFAOYSA-N 351.450 4.464 0 40 FIAB CCCN1CC[C@H]2CC(=O)Nc3cc(C(F)(F)F)ccc3OCC[C@H]2C1 1534646912 WAWQEAYUSBBMQU-KBPBESRZSA-N 370.415 4.165 0 40 FIAB O=C(Cc1ccc(F)c(Cl)c1)Nc1ccc(-c2ccccc2F)nn1 1627576411 IFCUOXMLFBRBCG-UHFFFAOYSA-N 359.763 4.256 0 40 FIAB CCc1cc2c(=O)c(-c3ccc4ccccc4n3)coc2cc1OC(C)=O 639681 FYPBPHGHZOMTFQ-UHFFFAOYSA-N 359.381 4.496 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(I)cc2)cc1C 682204 QQFDRFICPVHBNK-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 954883 QPBWXBUFAGPKLE-WEVVVXLNSA-N 364.228 4.497 0 40 FIAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 991209 SNRATQFBTLMJHB-QZTJIDSGSA-N 351.402 4.393 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(O)c3)o2)cc1C 1224347 BYTQMJBTBINJOZ-ZDUSSCGKSA-N 369.446 4.178 0 40 FIAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2)cc1 2343250 NBEIUENQAAGBON-UHFFFAOYSA-N 372.424 4.151 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1 2643396 DEXICUPGVWFNNB-UHFFFAOYSA-N 367.426 4.482 0 40 FIAB Cc1ccccc1C(=O)Nc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 2795412 YAGHWYLEZAXFAU-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB CCCCOc1ccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1 3087272 JAYPTYFSEPYIRH-CPNJWEJPSA-N 351.402 4.219 0 40 FIAB O=C(O)c1ccccc1-[n+]1c(-c2ccccc2)cn2c1CCc1ccccc1-2 3189072 ZYGCMWKVVXQNEA-UHFFFAOYSA-O 367.428 4.218 0 40 FIAB CCOc1ccc(NC(=O)CNc2cc(Cl)ccc2C)cc1OCC 3359715 ZQWQBQLTSRTVCU-UHFFFAOYSA-N 362.857 4.496 0 40 FIAB Cc1ccc(F)cc1NC(=O)COc1ccc(Br)cc1F 3404176 OTWQHISWYCHPSJ-UHFFFAOYSA-N 356.166 4.053 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCC(C)CC2)[C@H](C)CC)cc1 3895931 UDVMZKYLMJMMRB-FCULAJGNSA-N 374.525 4.381 0 40 FIAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 4124275 BHUNQJMULPCDTQ-RKDXNWHRSA-N 370.883 4.355 0 40 FIAB Clc1ccccc1CN1CCC(N2CCN(c3ccccc3)CC2)CC1 4140875 NPMMDFRBFIAALJ-UHFFFAOYSA-N 369.940 4.127 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc3sc4ccccc4n23)c1C 4406203 FVVUUYMHGXRVSS-UHFFFAOYSA-N 368.487 4.292 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccnc1 4909770 MXPVQRXMIBUNIQ-GOSISDBHSA-N 352.825 4.080 0 40 FIAB CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(CC)cc3c21 4969974 UICMPPGVEDBMKM-UHFFFAOYSA-N 359.429 4.377 0 40 FIAB O[C@@]1(C(F)(F)F)[C@H]2CCCCC2=NN1c1nc(-c2ccccc2)cs1 5274981 QIDGKKNCSDYWRY-BLLLJJGKSA-N 367.396 4.427 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2nc3c(SC)cccc3s2)cc1 5299249 KDROGWHZOCCKCY-UHFFFAOYSA-N 358.444 4.057 0 40 FIAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21 5374060 YEJQHARLXVOEBZ-UHFFFAOYSA-N 358.388 4.152 0 40 FIAB CC[C@H](C(=O)Nc1nnc(COc2ccccc2)s1)c1ccccc1 5551633 NAVDEUIOBCEVFP-INIZCTEOSA-N 353.447 4.249 0 40 FIAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)Nc1ccc2c(c1)OCCO2 5627060 FBLURYCHMZGNRM-CYBMUJFWSA-N 366.442 4.125 0 40 FIAB O=c1c(-c2ccccc2)nc2ccccc2n1C[C@H]1CCCN2CCCC[C@H]12 5766597 GOPUAIKZERGFBM-TZIWHRDSSA-N 373.500 4.328 0 40 FIAB COc1cccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1OC 6409638 NUGAFEYWJCYUQD-QGHHPUGFSA-N 358.463 4.319 0 40 FIAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1c(C)noc1C 6558962 IXBHPUCCBLUTHQ-UHFFFAOYSA-N 366.461 4.477 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccs2)C4)cc1 6755286 OVKVXTGTAQLUHM-AWEZNQCLSA-N 360.442 4.074 0 40 FIAB COC(=O)c1ccc(OC(=O)c2ccc(C3SCCS3)cc2)cc1 6786605 SDDDGGTWAKTORP-UHFFFAOYSA-N 360.456 4.171 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)c1c[nH]c2ccccc12 6886806 GJQQEBHOYBWQOC-UHFFFAOYSA-N 362.212 4.443 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2)N1CC(F)(F)F 7113274 UIZIRCNLKJYURW-AWEZNQCLSA-N 372.293 4.417 0 40 FIAB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)OCO2 7309282 IFYUHHABXJYXKA-UHFFFAOYSA-N 364.328 4.005 0 40 FIAB CC[C@@H](C)NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 7654223 HNRNZFFGRFUPRF-GFCCVEGCSA-N 364.540 4.412 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(OC(F)F)cc1 8140723 AMGPHYKNTOLYEP-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8405065 LLQIGJLIZKMPNB-ZDUSSCGKSA-N 357.381 4.273 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccs3)cc21 8959682 RICNRSLNOJTDEO-UHFFFAOYSA-N 358.463 4.162 0 40 FIAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 9356599 IIPITUHVYNGQSB-NYYWCZLTSA-N 355.394 4.109 0 40 FIAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)c2ccc(F)cc2)n1 9576320 HNMIRIGEWCRBLE-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(C)cc4)nc3C2)cc1 10156580 ANUDRIWAOQDYOL-MRXNPFEDSA-N 359.429 4.450 0 40 FIAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C)cc1 10302754 XWPNQAKZVLZIHJ-UHFFFAOYSA-N 372.519 4.398 0 40 FIAB O=S(=O)(NCCC1CCCCCC1)c1ccc(Br)s1 10543484 SBZKQYQJISYPLF-UHFFFAOYSA-N 366.346 4.149 0 40 FIAB Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 10888827 XLQAHZJHUQXUQR-JZXOWHBKSA-N 357.523 4.356 0 40 FIAB Cc1cc(C)c(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c(Cl)c1 10945457 LFQWNLWJUXLHJU-AWEZNQCLSA-N 371.868 4.133 0 40 FIAB O=C(O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(C(=O)O)c1 11565701 BUIFAALVZAGVEN-UHFFFAOYSA-N 361.353 4.002 0 40 FIAB Cc1ccc2cc(S(=O)(=O)n3cnc4cc(C)c(C)cc43)ccc2c1 11566443 NYPMCYNMMKDJFR-UHFFFAOYSA-N 350.443 4.352 0 40 FIAB Cc1cc(OCc2ccc3ccccc3n2)c(C(C)C)cc1-n1cnnn1 12445240 NTEMFFPNUMIGIT-UHFFFAOYSA-N 359.433 4.221 0 40 FIAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1cccs1)c1ccccc1 12747690 AAWRLCJHNLHEOP-HNNXBMFYSA-N 364.470 4.420 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2cccc(C)c2)c1 12780973 CWHJFIGDQXIBSR-RGFVMQALSA-N 351.446 4.389 0 40 FIAB Cc1cc(C(=O)N(Cc2ccco2)c2ccccc2)c2c(C)nn(C)c2n1 12940654 HSPUJALHRUUUJP-UHFFFAOYSA-N 360.417 4.025 0 40 FIAB C[C@@H](OCCCNC(=O)c1ccccc1Br)c1ccccc1 13009848 TWKSFBYVNRXFSY-CQSZACIVSA-N 362.267 4.347 0 40 FIAB CCOC(=O)c1sc(NC(=O)Cc2c(Cl)cccc2Cl)nc1C 13140976 WOTMZAOFKOJYLO-UHFFFAOYSA-N 373.261 4.116 0 40 FIAB CC(=O)N1CCc2cc(N[C@H](C)c3nnc(-c4ccc(C)cc4)o3)ccc21 15477473 LXHAZYWJRZZAQV-CQSZACIVSA-N 362.433 4.127 0 40 FIAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)CC2CCCCC2)on1 19120640 LFCMHOJSTWJTPA-IFMALSPDSA-N 369.509 4.018 0 40 FIAB Cc1cc(-c2cn[nH]c2)cc([C@@H]2CCCN2Cc2c[nH]nc2C(C)(C)C)n1 19690841 AUNYBLBZMYJMTI-IBGZPJMESA-N 364.497 4.138 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2sc(-c3cccnc3)nc2C)cc1 20030094 HUZBTRMHBAWTOU-LBPRGKRZSA-N 353.447 4.013 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 20041891 GXLJRHNICBPVEJ-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc(C)c1Cl 20144323 UNFZNVBMMLRBTB-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB Cc1cc2occ(CC(=O)N3CC(=O)Nc4ccccc43)c2cc1C(C)C 22064303 APRRAFYRBZOWJA-UHFFFAOYSA-N 362.429 4.392 0 40 FIAB COc1ccc(-c2csc3c(=O)n(CCC(C)C)cnc23)cc1OC 23126652 LLNPVXHYPPJKAR-UHFFFAOYSA-N 358.463 4.188 0 40 FIAB O=C(CSc1nc2ccccc2s1)Nc1cccc(-c2cc[nH]n2)c1 24884104 UADKGZVVXJSETP-UHFFFAOYSA-N 366.471 4.417 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1OC 30754676 HENJRDMAKLLXAW-CVEARBPZSA-N 373.518 4.322 0 40 FIAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C(=O)OC)cc1 30871369 KWAOKALEKVIYSB-LJQANCHMSA-N 363.413 4.423 0 40 FIAB CCOc1c(Cl)cc(C(=O)N[C@@H]2CCOc3ccccc32)cc1OC 32722171 XCSCELNEWOQSLO-OAHLLOKOSA-N 361.825 4.001 0 40 FIAB Cc1csc2nc(CN3CCC[C@H]3c3ccc(Cl)cc3)cc(=O)n12 32777648 SPCGPLDZBGAUIM-INIZCTEOSA-N 359.882 4.055 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1ccccc1OC(F)F)c1ccccc1 36692883 BOKYVDOWQVRBRG-KRWDZBQOSA-N 362.420 4.101 0 40 FIAB O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCCCC1 38832694 POFDSRRVVUOTFI-CQSZACIVSA-N 355.309 4.218 0 40 FIAB CCOC(=O)c1c(N)c(-c2nc(-c3ccccc3)cs2)c2ccccn12 39395729 NNPSAVBPXSWIML-UHFFFAOYSA-N 363.442 4.489 0 40 FIAB COC(=O)c1cc(Br)cc2c(=O)c(C)c(-c3ccccc3)oc12 39612864 XBFXNWPNZORHNQ-UHFFFAOYSA-N 373.202 4.318 0 40 FIAB Cc1ccc(CSc2ncccn2)c(CSc2ncccn2)c1C 40545401 REZDWMCYYWDNNP-UHFFFAOYSA-N 354.504 4.468 0 40 FIAB CCOC(=O)Nc1cccc(C(=O)N2CCCc3cc(F)c(F)cc32)c1 46222815 XQLLLNZWOXTLRJ-UHFFFAOYSA-N 360.360 4.126 0 40 FIAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3)oc12 57524708 GWVMXKQMBGYXHC-GYHWCHFESA-N 371.396 4.321 0 40 FIAB COC(=O)c1ccc([C@H](C)Sc2nnc(-c3sc(C)nc3C)o2)o1 58142877 IFBFEJDYMOSGSR-QMMMGPOBSA-N 365.436 4.043 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 59205005 GXZRGKHRLQZKGH-UHFFFAOYSA-N 350.462 4.472 0 40 FIAB O=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1 59267947 NYPYMIOLEKRYAE-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB COC(=O)c1sc(N2CCC(CCc3ccccc3)CC2)nc1Cl 65511857 KUBWTPXWGVWQTQ-UHFFFAOYSA-N 364.898 4.432 0 40 FIAB CC(C)(C)c1ccc(C(=O)C(=O)N2CCC(Nc3ccccc3)CC2)cc1 66048071 ZJQZSOYCNIKFBP-UHFFFAOYSA-N 364.489 4.270 0 40 FIAB O=C(O)c1cc(NS(=O)(=O)/C=C/c2ccccc2Cl)ccc1Cl 66583926 ZVKDEUJIXYTEIL-BQYQJAHWSA-N 372.229 4.104 0 40 FIAB O=C(NC[C@@](O)(c1cccs1)C1CC1)C1(c2cccs2)CCCC1 75155320 OTMZHVNOTCHCOT-IBGZPJMESA-N 361.532 4.035 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 79068953 WTYHWSHTPBCNTC-AWEZNQCLSA-N 371.481 4.028 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2C1=Cc2ccccc2O[C@H]1C 79473300 WAFJPKFCHIXXLJ-GTNSWQLSSA-N 371.462 4.410 0 40 FIAB C[C@@H](Sc1ccc(Cl)nn1)C(=O)N(C)Cc1c(F)cccc1Cl 89368854 DOTKPKXANONILV-SECBINFHSA-N 374.268 4.062 0 40 FIAB Nc1ccc(F)c(NC(=O)CCN[C@H](c2ccc(Cl)cc2)C2CC2)c1 95409279 PYANRDIOODUMIH-IBGZPJMESA-N 361.848 4.131 0 40 FIAB O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)[C@@H]1C[C@H]2C=C[C@H]1C2 102168033 WLIROTAFHGGJIA-JBLDHEPKSA-N 368.380 4.388 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)c1 136530266 QRLGEDWZXZZQFB-BGYRXZFFSA-N 374.440 4.011 0 40 FIAB CC1(C)C[C@H](NC(=O)Nc2ncn(C3CCCCC3)n2)c2ccccc2O1 184509299 LKKIDEQKQPXSCS-INIZCTEOSA-N 369.469 4.207 0 40 FIAB COc1cc(Cl)c2[nH]c(-c3ccc(Br)c(N)c3)nc2c1 216917899 JCLSAMXNIUACNP-UHFFFAOYSA-N 352.619 4.237 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 219546338 SUPBQKJRYCDBIQ-APWZRJJASA-N 353.462 4.489 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1C 223279871 ZQILONCWJXUKMZ-UHFFFAOYSA-N 357.450 4.120 0 40 FIAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225605346 BDWOPJSPCRLEDW-LJQANCHMSA-N 365.470 4.208 0 40 FIAB COc1ccc(NC(=S)NCCCOC2CCCCC2)c2cccnc12 225618955 WJKAKRVZVQRSDW-UHFFFAOYSA-N 373.522 4.269 0 40 FIAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1ccco1 225831063 NDOQOOXPTDNUAL-UHFFFAOYSA-N 373.412 4.246 0 40 FIAB O=C(O)c1cc(Br)c(OCc2ccccc2Cl)cc1O 226346785 JBEMMBMQALPIRN-UHFFFAOYSA-N 357.587 4.085 0 40 FIAB CO[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2o1 253473818 YUMSZKOIDHPTKZ-SFHVURJKSA-N 361.800 4.272 0 40 FIAB Cc1nccc(N2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)n1 257257465 KPRCBRVSZRZSPD-UHFFFAOYSA-N 366.440 4.061 0 40 FIAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(OC)c1 409135804 RDSAHEPQGVJQFU-LICLKQGHSA-N 361.463 4.320 0 40 FIAB Cc1ccc(F)cc1C(=O)Nc1ncccc1C(=O)c1ccc(F)cc1 579786856 FXLARWLVVMAQTF-UHFFFAOYSA-N 352.340 4.152 0 40 FIAB Cc1ccccc1OCC(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 585148130 POJMQHQHMBJFSB-AWEZNQCLSA-N 373.499 4.014 0 40 FIAB Cc1c(NC(=O)NCc2ccccc2CC(F)(F)F)cccc1N(C)C 626481277 XRQPFBFPLGFXTQ-UHFFFAOYSA-N 365.399 4.488 0 40 FIAB CCOc1ccc(Nc2ncccc2-c2nc([C@H]3CCCOC3)no2)cc1 685376417 BTHVSECEFUFXNY-AWEZNQCLSA-N 366.421 4.168 0 40 FIAB Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCCCCC2)cc1 883936 ARPSYPCLVXUHDY-HXUWFJFHSA-N 353.514 4.452 0 40 FIAB C[C@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2cccc(Cl)c2)S1 1044131 RWODDYGKQAYRDC-LBPRGKRZSA-N 360.870 4.260 0 40 FIAB Cc1c(Br)cccc1N1C(=O)c2ccc(Cl)cc2C1=O 1095812 RZDRITFFWNQBAQ-UHFFFAOYSA-N 350.599 4.212 0 40 FIAB COc1cc(NC(=O)c2ccc(F)cc2)c(OC)cc1NC(=O)CC(C)C 1324349 RYUBSYQKVJMXJD-UHFFFAOYSA-N 374.412 4.080 0 40 FIAB CC[C@@H]1CCCCN1C(=O)CSc1nc(C)nc2sc(C)c(C)c12 1340325 VVXBVBJLCAOSSL-CQSZACIVSA-N 363.552 4.500 0 40 FIAB Cc1csc(NC(=O)CSc2nc(C(C)C)nc3ccccc23)n1 1342949 OEJSGWNYBKFOOU-UHFFFAOYSA-N 358.492 4.249 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 1359231 GWCPZLGYHDNGBO-UHFFFAOYSA-N 368.864 4.429 0 40 FIAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 1935068 SKZRUPLYTASDPD-RMKNXTFCSA-N 367.298 4.040 0 40 FIAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccco3)on2)sc(C)c1C 2602351 DRPNXCWNZAGYAD-UHFFFAOYSA-N 360.391 4.042 0 40 FIAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1cccc2ccccc12 2642663 XNDLVMHIKBNASY-QHCPKHFHSA-N 356.425 4.123 0 40 FIAB Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cccs1 2659081 DWSIOSHAIVWFOQ-UHFFFAOYSA-N 371.516 4.136 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 3325007 CXFLTABBBIPSIP-UHFFFAOYSA-N 373.408 4.347 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 3881619 IQCNQJXIOWBNAT-OGNUZGJXSA-N 374.521 4.201 0 40 FIAB biogenic Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1C 4356258 NXQNGJCHNZULJU-QGZVFWFLSA-N 351.450 4.186 0 40 FIAB O=C(CCc1cccs1)Nc1nnc(SCc2ccccc2)s1 4540143 IUJBAZZQHMYIME-UHFFFAOYSA-N 361.517 4.463 0 40 FIAB CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2cc(Cl)ccc21 4679118 PUIFBLPTXCOSPI-NRFANRHFSA-N 371.864 4.075 0 40 FIAB CCOc1ccc(Nc2cnnc(Nc3ccc(OCC)cc3)n2)cc1 5009212 XSGUMQQIDJGCHO-UHFFFAOYSA-N 351.410 4.156 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc(F)cc1 5136175 CAXWIPITFBVDBN-UHFFFAOYSA-N 364.376 4.264 0 40 FIAB Fc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 5144430 KHUDTBRRIOCVCF-UHFFFAOYSA-N 374.828 4.008 0 40 FIAB O=C(Nc1cc2c3c(c1)CCN3C(=O)CC2)c1cc(Cl)ccc1Cl 5153404 CNKXSRMQNPWKNB-UHFFFAOYSA-N 361.228 4.081 0 40 FIAB CSc1ccc(/C=C/C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 6886906 KEBCHZFKWGRUBX-DHZHZOJOSA-N 351.427 4.329 0 40 FIAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1cccc(C)c1 6961386 SYIWZXSTUWXTNV-WOJGMQOQSA-N 369.442 4.297 0 40 FIAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 7057995 BOVXRQNBEOXQDA-CYBMUJFWSA-N 365.433 4.127 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389841 LZRHBNLRVCTDBW-UHFFFAOYSA-N 373.412 4.219 0 40 FIAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1 7507727 RAAIDXPUODSWOA-LLVKDONJSA-N 374.487 4.094 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 7643980 CDOFATXAKBZTKH-UHFFFAOYSA-N 374.868 4.276 0 40 FIAB CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)O)cc1 8106254 GBBKYMGZHRLTSZ-CQSZACIVSA-N 361.463 4.018 0 40 FIAB COc1ccc(N2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)cc1 8117556 JFDQXXNLGLRINN-FQEVSTJZSA-N 356.381 4.015 0 40 FIAB CCCOc1ccccc1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8161223 BNRNJLIVHZTQMA-SFHVURJKSA-N 355.434 4.286 0 40 FIAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1ncnc2sccc12 8945225 FIRHBYLDWYHEQB-GFCCVEGCSA-N 355.488 4.151 0 40 FIAB COc1cc2c(cc1NC(=O)c1c(C)cc(=O)oc1C)oc1ccccc12 8945444 ZLXBNNVPBDSYEO-UHFFFAOYSA-N 363.369 4.417 0 40 FIAB COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 9141898 NKFIUNUQXVERPN-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(Cl)cc2Cl)c1 9300243 DJQKRQLVEVVJDA-UHFFFAOYSA-N 351.233 4.060 0 40 FIAB Cc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1 9426304 FISYIMFRFQIEIS-UHFFFAOYSA-N 357.417 4.049 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11074360 NQGUBWDHHRLYBL-HNNXBMFYSA-N 364.420 4.390 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(F)c(Cl)c1 11423885 SUZZKBGLCBYUIF-UHFFFAOYSA-N 371.799 4.103 0 40 FIAB O=C(Nc1ccc(F)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 12416041 CRWJRIJDCDRVBJ-UHFFFAOYSA-N 374.371 4.088 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 12890419 JXEAQOQHFNYCSP-UHFFFAOYSA-N 359.385 4.459 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1 13671739 UPEOILYNPVXNCW-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccoc1)c1ccccc1 14020183 KUDZYETULBZSRG-IBGZPJMESA-N 365.385 4.133 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14180491 PGXFMPPMRCCJHY-HXUWFJFHSA-N 374.440 4.373 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)c(C(F)(F)F)c1 14806783 PXFKJALIJOQMIY-LLVKDONJSA-N 366.339 4.070 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccc(OC(F)F)cc2)N1C[C@H]1CCCO1 15503018 VOIATPNTZBHCRA-CRAIPNDOSA-N 374.387 4.034 0 40 FIAB COC(=O)c1c(SCc2ccccc2Cl)[nH]c2ccccc2c1=O 15731496 BHCBKBMXRNVVJF-UHFFFAOYSA-N 359.834 4.260 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)CN(Cc1c(F)cccc1Cl)C1CC1 16311261 PZLPRFYUNGCNHN-UGSOOPFHSA-N 352.881 4.138 0 40 FIAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 20107317 DEVAIJXMNZCEIR-LLVKDONJSA-N 374.289 4.183 0 40 FIAB CC(C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 20609858 IEPYXNJZXNDPCC-UHFFFAOYSA-N 372.428 4.460 0 40 FIAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccco1 20611378 HSUBPOVPRMZBOE-UHFFFAOYSA-N 369.764 4.397 0 40 FIAB Cc1nc(SCCN2CCOCC2)c2cc(-c3ccccc3)sc2n1 21371389 ZRGBJVPOFWHDIN-UHFFFAOYSA-N 371.531 4.091 0 40 FIAB C[C@H](NC(=O)CCN1CCC(Cc2ccccc2)CC1)c1ccccc1 22197807 HBXOTBZHHICZSD-IBGZPJMESA-N 350.506 4.209 0 40 FIAB COc1ccc(Oc2cc(NC(=O)c3ccc(C)nc3)ccc2OC)cc1 22416935 LZPAMCSMXMETTE-UHFFFAOYSA-N 364.401 4.452 0 40 FIAB O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504190 FMDJFDJZKBPBIF-UHFFFAOYSA-N 353.397 4.159 0 40 FIAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cccc2ccccc12 25689175 XQZBKZJVSODYNV-QGZVFWFLSA-N 372.468 4.453 0 40 FIAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cn1 27974674 LWZZBLXNQJVQLV-LBPRGKRZSA-N 371.234 4.403 0 40 FIAB CCn1cc(Cl)c(C(=O)Nc2ccc(Br)cc2Cl)n1 28226523 NOTCFPXOYVTIOL-UHFFFAOYSA-N 363.042 4.225 0 40 FIAB C[C@@H](N[C@H](C)c1ccccc1Cl)c1nc(N)nc(Nc2ccccc2)n1 28792459 QSBCTIZMIITUAE-CHWSQXEVSA-N 368.872 4.263 0 40 FIAB O=C(NCCOC(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1 30836375 ZUQAAODWBGISJZ-UHFFFAOYSA-N 367.327 4.076 0 40 FIAB biogenic O=C(NCc1ccco1)[C@H]1CCCN1Cc1sc2ccccc2c1Cl 31557984 OWURJHFCNBZVFV-OAHLLOKOSA-N 374.893 4.429 0 40 FIAB Nc1c(C(=O)N2CCCCC2)oc2nc(-c3ccco3)c3c(c12)CCCC3 31819067 RBCWUSCUBHYPLO-UHFFFAOYSA-N 365.433 4.175 0 40 FIAB COCCNc1ncnc2c1oc1nc(C3CCCCC3)c3c(c12)CCC3 32095801 CVDUBKOUXFELOA-UHFFFAOYSA-N 366.465 4.366 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc1 32623310 HPNJANLEKHAYJA-LBPRGKRZSA-N 371.824 4.358 0 40 FIAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)[C@@H](C)c2cc3ccccc3o2)c1C 32754479 DCRNTXRRWQTWPM-AWEZNQCLSA-N 368.433 4.040 0 40 FIAB Cc1ccccc1OCCSCCC(=O)Nc1ccc(F)c(F)c1 32778671 OQHTXBCINPGECY-UHFFFAOYSA-N 351.418 4.414 0 40 FIAB O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(Br)c1 32817563 YYFWTLQUIYZFRF-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB S=c1n(CN(C2CCCC2)C2CC2)nc(N2CCCCC2)n1C1CC1 32923211 QBNFSNFGDVRURM-UHFFFAOYSA-N 361.559 4.104 0 40 FIAB C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372176 XDDNRKFJOAQYQX-WVDXKVTRSA-N 362.510 4.457 0 40 FIAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 39748229 UPVIKJLQBVBZHF-UHFFFAOYSA-N 364.533 4.264 0 40 FIAB O=C(Nc1ccc(N2CCCC2)nc1)c1cnc(-c2ccccc2)s1 40106550 JGESVKMXRAIHCR-UHFFFAOYSA-N 350.447 4.058 0 40 FIAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cccc(Cl)c1 44841439 XZVYQXQABZTTGP-UHFFFAOYSA-N 372.852 4.002 0 40 FIAB Cc1ccc([C@H](C)NC(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)o1 48309806 QKQLXAUCFPNHKR-JTQLQIEISA-N 352.312 4.459 0 40 FIAB CC(C)c1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)C1=O 49026256 GYSAJLGSBRNOMX-UHFFFAOYSA-N 371.868 4.344 0 40 FIAB O=C(COc1ccccc1F)Nc1cccc2ccc(-n3cccc3)nc12 49027999 BBVVEVILIHNNTF-UHFFFAOYSA-N 361.376 4.182 0 40 FIAB CC(C)(C)n1ncc2c1N=C(O)C[C@@H]2c1cccc(Oc2ncccn2)c1 49550206 NGDYGJULDYTCMH-OAHLLOKOSA-N 363.421 4.344 0 40 FIAB O=C(NCc1ccoc1)Nc1cccc(NC(=O)Nc2ccccc2)c1 58005778 MZFDAFSYEJPQDE-UHFFFAOYSA-N 350.378 4.245 0 40 FIAB CN(C)[C@@H](CNC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccs1 58088381 KDOYASUZORICQU-SFHVURJKSA-N 373.522 4.494 0 40 FIAB Cc1ccc(CN(C(=O)Cc2csc(-c3ccccn3)n2)C(C)C)o1 58213516 WXMWROLQXCIJHH-UHFFFAOYSA-N 355.463 4.086 0 40 FIAB Cc1cc(C)c(CNC(=O)Nc2cccc(-c3noc(C)n3)c2)c(C)c1 58434053 FBJNKCBKJVPVBI-UHFFFAOYSA-N 350.422 4.292 0 40 FIAB CC(C)(C)OC(=O)NCC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 60320516 YBAFYLMDQGTHKY-UHFFFAOYSA-N 372.431 4.442 0 40 FIAB Cc1cccc2c1N(C(=O)c1ccc(OC[C@H]3CCCO3)cc1)CCC2 62581380 IKVLQQQAIWKZJE-HXUWFJFHSA-N 351.446 4.146 0 40 FIAB COc1cccc(NC(=O)c2cc(-c3cc(Cl)c(C)cc3O)n[nH]2)c1 72238543 MVAMXIKOILCARC-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 72333819 SGDXNMGZHSXVOH-LBPRGKRZSA-N 366.244 4.336 0 40 FIAB Cc1nc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)co1 72350446 CXJLQWZLNRTGQN-INIZCTEOSA-N 365.408 4.204 0 40 FIAB Cc1ccc(Nc2nccc([C@H]3CCCN(CCc4ccccc4)C3)n2)nc1 72377564 BNWOQFZXWMGBAI-FQEVSTJZSA-N 373.504 4.346 0 40 FIAB Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2Cl)[C@H](C)CO1 76041115 GLBBLPNUAROKSF-QINHECLXSA-N 373.880 4.404 0 40 FIAB CCC[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc(NC(C)=O)cc1 79106857 HTHBQUTVEFGQMW-HXUWFJFHSA-N 365.477 4.205 0 40 FIAB CNc1nccc(-c2cccc(-c3cc(C(F)(F)F)cc(N(C)C)n3)c2)n1 91695762 SNGKSYKSZSFLSS-UHFFFAOYSA-N 373.382 4.332 0 40 FIAB Cc1nc(-c2ccc(NC(=O)N(C)Cc3ccccc3)cc2Cl)n[nH]1 95466914 KUAHDHMHDIQDND-UHFFFAOYSA-N 355.829 4.097 0 40 FIAB C[C@](O)(Cc1nc(-c2ccc(Oc3ccccc3)nc2)no1)c1ccccc1 95468594 HGZWVZWIPOABIQ-QFIPXVFZSA-N 373.412 4.374 0 40 FIAB CSc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1 101016762 RZTOKFQILFGJHR-OAHLLOKOSA-N 362.292 4.474 0 40 FIAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1Cl 101277075 LHWQQGLSFZCNIX-LBPRGKRZSA-N 369.635 4.391 0 40 FIAB Cc1c(Cl)cccc1S(=O)(=O)N1CCS[C@@H](c2ccco2)CC1 219446937 SQSCMZGVTVLNNR-OAHLLOKOSA-N 371.911 4.110 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(SC(C)C)s2)c1 224135169 PJEKQCFQEWWIBT-UHFFFAOYSA-N 365.524 4.488 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)c1 224308753 SREGEWQFZWNMQQ-PMACEKPBSA-N 362.502 4.214 0 40 FIAB CCc1ccc(CC)c(CNC(=O)CN2C(=O)c3cccc4cccc2c34)c1 225083017 VZECLIFMBADFQU-UHFFFAOYSA-N 372.468 4.241 0 40 FIAB CC(C)[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br 225210372 DXGHGPYHNVZINX-GFCCVEGCSA-N 356.304 4.286 0 40 FIAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(OC)nc2)cc1 225502082 VSEAQWBKKPXGND-KRWDZBQOSA-N 359.495 4.173 0 40 FIAB CCCOC1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCCCC1 225658707 AAVQYSUSULOWMD-UHFFFAOYSA-N 369.889 4.433 0 40 FIAB C[C@H](COc1ccccc1)NC(=S)Nc1cccc(Br)c1 225781646 KNZMMDOUQHLORL-GFCCVEGCSA-N 365.296 4.203 0 40 FIAB Nc1ccc(N2CCCC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 226255806 QSDRNTJHJOQZTE-UHFFFAOYSA-N 350.249 4.428 0 40 FIAB Cc1ccnc([C@H]2CCCN2Cc2ccc(-c3ccccc3C(=O)O)o2)n1 257303245 SGJNHYVSTVRERF-GOSISDBHSA-N 363.417 4.080 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1CCc1cccc(Br)n1 257311719 UKTHZBVGDJUQDK-CYBMUJFWSA-N 355.276 4.176 0 40 FIAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c1 408595759 NMRHHUAVVYDBRF-UHFFFAOYSA-N 367.243 4.023 0 40 FIAB O=C(CSCc1ccccc1Br)Nc1ccc(F)cc1 408879728 CTPPQKCETPGQMH-UHFFFAOYSA-N 354.244 4.460 0 40 FIAB O=C(O)c1ccnc(/C=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c1 583817470 NQFRZWVQQDWCGT-CMDGGOBGSA-N 368.396 4.198 0 40 FIAB O=C1CCCc2nc(SCc3cscc3Br)ncc21 629195718 HWLAQVFISFMAGJ-UHFFFAOYSA-N 355.282 4.112 0 40 FIAB CC[C@@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)c1ccc(OC)cc1 1559311575 ZQSZSWASAOLBIH-QGZVFWFLSA-N 356.447 4.334 0 40 FIAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC(C)C)c2C(N)=O)C1 671183 ZMVRZAIKUVVQAH-GFCCVEGCSA-N 350.528 4.373 0 40 FIAB O=C1/C(=C/c2ccco2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1 1178333 DNEOPHCCLCIPQW-KPKJPENVSA-N 367.213 4.258 0 40 FIAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(F)cc1 1364537 AJQBFOIJDNRXAE-UHFFFAOYSA-N 367.449 4.318 0 40 FIAB O=C1O[C@@H](Oc2ccccc2O[C@@H]2OC(=O)c3ccccc32)c2ccccc21 1591642 JDJZNSVKURNQJL-FGZHOGPDSA-N 374.348 4.183 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(C)c2)cc1 1980676 PZOLFAFMFHHENM-UHFFFAOYSA-N 356.491 4.176 0 40 FIAB CC(C)Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 2350397 VQSBAQTVQXMZCC-UHFFFAOYSA-N 356.516 4.496 0 40 FIAB COc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1 2405015 BRYKRMYHGBUHGC-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5ccccc5)c4ncn23)cc1 2422796 MIUSRORUXAVWNC-UHFFFAOYSA-N 368.444 4.428 0 40 FIAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3ccco3)sc21 2424007 GOBCDVFVJVRFRA-UHFFFAOYSA-N 351.431 4.227 0 40 FIAB CCOC(=O)C1CCN(c2nc(C)nc3c2oc2ccc(Cl)cc23)CC1 2432639 BMRVFIUWCZNUAY-UHFFFAOYSA-N 373.840 4.117 0 40 FIAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1F 2627063 NKFXWZBEYCHKSJ-UHFFFAOYSA-N 353.422 4.259 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc(F)c(F)c2)sc2c1CCCCC2 2805883 MQPBIBXHSTWKBO-UHFFFAOYSA-N 365.401 4.334 0 40 FIAB FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(-n4cccc4)n3c2n1 4052997 WSIVDFVLCFXXOH-UHFFFAOYSA-N 371.244 4.106 0 40 FIAB COc1ccc2nc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)[nH]c2c1 4252290 ZZLQORDHKYPDCZ-NSHDSACASA-N 351.431 4.416 0 40 FIAB CC(C)(C)C(=O)Nc1ncc2c(n1)C[C@@H](c1cccc(Cl)c1)CC2=O 4777104 NNYWVZPXMPHASX-GFCCVEGCSA-N 357.841 4.027 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1Cc1ccccc1 4966519 AOSCZORUYLDQOA-QZTJIDSGSA-N 365.473 4.224 0 40 FIAB CCCC[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCCC1 4982296 KIYPMAWKCDBLJH-HXUWFJFHSA-N 371.477 4.013 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(C)c(C)n1CC(C)C 5262895 VNZLTUDOPBSPCB-HNNXBMFYSA-N 361.511 4.284 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2cc(C)no2)c2ccccc2)c1 6590584 PKGDZSPLHNDGKO-IBGZPJMESA-N 364.401 4.137 0 40 FIAB O=C(Nc1cccc(I)c1)c1cc2c(s1)CCC2 7264792 VVJOKPNHXNXTTF-UHFFFAOYSA-N 369.227 4.094 0 40 FIAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OC)cc2OC)cc1 7388750 CUOUOSHKSABLFI-CYBMUJFWSA-N 372.490 4.344 0 40 FIAB C[C@H](NC(=O)Cc1noc2ccccc12)c1ccccc1Br 8022300 WTLZTQYWELTBSF-NSHDSACASA-N 359.223 4.010 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)N3CC=C(c4ccccc4)CC3)c2O1 8373337 UXWBAVXXWVXZNS-UHFFFAOYSA-N 363.457 4.095 0 40 FIAB CCOC(=O)c1ccc2nc(C)c(CN3CCCC[C@@H]3CC)c(O)c2c1 8714053 OAYGFIBVRGGAQX-INIZCTEOSA-N 356.466 4.190 0 40 FIAB O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(NCc3ccccc3)ncc21 9287292 OXHLZFDTDFUAFO-OAHLLOKOSA-N 365.383 4.280 0 40 FIAB COC(=O)c1ccc(CNC(=O)N[C@H](C)c2cccc3ccccc23)cc1 9596365 AFFCTFFIDIEDEG-OAHLLOKOSA-N 362.429 4.187 0 40 FIAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC(c2c[nH]c3ccccc23)CC1 10140668 SDSFYMAKGVZEEV-HNNXBMFYSA-N 372.472 4.345 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2O)cs1 11679927 MJRFJLLZUWQEOU-UHFFFAOYSA-N 354.431 4.096 0 40 FIAB COc1ccc(-c2nc3cnccn3c2NCCc2ccccc2)cc1OC 12113803 VICNYUIHYYCIFN-UHFFFAOYSA-N 374.444 4.068 0 40 FIAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCC2)cc1 12355614 ZZXWULKBDOICDA-IBGZPJMESA-N 358.507 4.102 0 40 FIAB COc1ccc(NCc2cc3cc(C)c(Cl)cc3[nH]c2=O)c(OC)c1 12493132 WIMOWBBSPZFLEN-UHFFFAOYSA-N 358.825 4.119 0 40 FIAB Cc1cccc2cc(CN(C(=O)c3ccncc3)c3ccccc3)c(=O)[nH]c12 13777257 XRAUGCHRXXYUSD-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB COc1cc([C@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)ccc1O 15109981 UQQCOOGOSOTWRN-CYBMUJFWSA-N 367.430 4.075 0 40 FIAB COc1ccc(-n2c3c(c(SCc4ccccc4)nc2=O)CCC3)cc1 15840443 KYVLREDGTMKHOG-UHFFFAOYSA-N 364.470 4.022 0 40 FIAB COc1ccccc1-c1nnc(NC(C)C)nc1-c1ccccc1OC 19450214 YVXYDABWEZEUIO-UHFFFAOYSA-N 350.422 4.043 0 40 FIAB O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 19901633 UCTMZAKLYHRQGZ-ZDUSSCGKSA-N 370.107 4.252 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20145150 DDUNQGAIEZCATC-QPJJXVBHSA-N 366.200 4.352 0 40 FIAB Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 27992741 UGFCZYVKMWHRNQ-UHFFFAOYSA-N 374.263 4.407 0 40 FIAB O=C1CCCCC[C@H]1Sc1nnc(-c2cccc(Br)c2)o1 29390999 ZXFRTLGIVMSOPB-CYBMUJFWSA-N 367.268 4.493 0 40 FIAB Cc1noc2ncc(C(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)cc12 30973591 ZBJFWMWHKNQHPS-UHFFFAOYSA-N 365.389 4.215 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2oc(=O)[nH]c2c1 31255810 ICUHSWWANFFNLF-UHFFFAOYSA-N 358.397 4.282 0 40 FIAB C[C@@H](C(=O)NCc1ccccc1)N1CCC(c2c[nH]c3ccccc23)CC1 32879760 QUAGLUCJKADMGV-KRWDZBQOSA-N 361.489 4.052 0 40 FIAB C[C@@H]1CC=CC[C@H]1COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 36397243 LIOACNNRSKTPMZ-CVEARBPZSA-N 374.458 4.013 0 40 FIAB CN(C)Cc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cc1 48326876 LODNTOZRABSGLP-UHFFFAOYSA-N 367.493 4.391 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N(CC(F)(F)F)c1ccccn1 60059269 NLLFNMPAPYZDIG-LLVKDONJSA-N 358.747 4.098 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1Br 72211606 ABMOFTCTHIWDJZ-OAHLLOKOSA-N 361.239 4.318 0 40 FIAB CCCCOc1ccc(-c2cc(C(=O)NCCc3cccs3)[nH]n2)cc1 72331577 XHGXBYSXTUAKEL-UHFFFAOYSA-N 369.490 4.290 0 40 FIAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72349085 LWTVQGYOCXQBHR-GOSISDBHSA-N 373.456 4.172 0 40 FIAB O=C(Nc1cccc(OCc2cscn2)c1)[C@@H]1CCOc2ccccc21 76805994 QLWIXYPQUWFCDL-GOSISDBHSA-N 366.442 4.227 0 40 FIAB O=C(c1ccc2ccc(Cl)cc2n1)N(C[C@H]1CCCO1)c1ccncc1 84112321 SBCGYWCPTXADCL-QGZVFWFLSA-N 367.836 4.109 0 40 FIAB CSCc1ccc(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)cc1 89761819 VXJPIFIACUOGIW-IBGZPJMESA-N 357.519 4.082 0 40 FIAB CN(CC1CCN(c2ccncc2)CC1)[C@H]1CCc2c(F)cc(F)cc21 95452701 UXGALQLVPUFPIP-NRFANRHFSA-N 357.448 4.196 0 40 FIAB O=C(CCc1c[nH]c2ccccc12)NCCSCc1ccnc(Cl)c1 95458531 QFLKESSAKUMWGM-UHFFFAOYSA-N 373.909 4.199 0 40 FIAB Fc1ccc(Cc2noc(C3(c4ccc(F)cc4)CCOCC3)n2)cc1 95959829 HINUZGCWEDDNQT-UHFFFAOYSA-N 356.372 4.035 0 40 FIAB CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)c1ccc(F)cc1Cl 95997623 CEVPIQHDJIYBAY-UHFFFAOYSA-N 360.816 4.339 0 40 FIAB C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1I 96171897 XSCKVKYKGCDKNL-VIFPVBQESA-N 370.161 4.285 0 40 FIAB O=C(OCc1nc2ccccc2n1C(F)F)c1cccc(N2CC=CC2)c1 101375355 YCSCXVZVCMTYCF-UHFFFAOYSA-N 369.371 4.165 0 40 FIAB Cc1nc2ccc(OC(=S)N3CC[C@@H](c4ccccc4)C3)cc2nc1C 107979385 RFPPHFVZGONAQD-QGZVFWFLSA-N 363.486 4.400 0 40 FIAB N#C/C(=N\Nc1cccc(Br)c1)c1nc2ccccc2s1 108242252 HPZHTTFFCZSXCI-DEDYPNTBSA-N 357.236 4.399 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 194472896 UYFRJEYAXIRGQM-UHFFFAOYSA-N 364.470 4.412 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C)cc1 218972535 ARCUEGJUDVFCRX-GOSISDBHSA-N 355.478 4.300 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)c(C)c1 222619636 IAKLYQPLOLMTBU-SFHVURJKSA-N 361.507 4.358 0 40 FIAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cc(Cl)ccc1Cl 225744932 XEMHAAOXCHUYKR-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1Nc1cccc(Cl)c1 226103905 ROPIDLUVSCDRJP-UHFFFAOYSA-N 368.824 4.300 0 40 FIAB COc1cccc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)c1 226271814 ARGFUTOAMPYWGM-UHFFFAOYSA-N 350.296 4.029 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 260764229 KEMSSROHPFNYAC-ICSRJNTNSA-N 372.553 4.104 0 40 FIAB COc1ccc(-c2cc(C)nc(SCc3ccc(C(=O)O)o3)n2)cc1 408556675 LCVQKNHXKFBSKU-UHFFFAOYSA-N 356.403 4.044 0 40 FIAB C[C@@H](C(=O)Nc1ncc(-c2ccccc2)cn1)[C@H]1OCCc2sccc21 660650279 DXGJYWGMYUTNJR-FZKQIMNGSA-N 365.458 4.094 0 40 FIAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(C)cc3)cc12 843674 QBDXKZHQPMQMQT-UHFFFAOYSA-N 351.402 4.191 0 40 FIAB Fc1ccc(-c2cc3nc4c(c(N5CCCCC5)n3n2)CCCC4)cc1 1341446 UKJGGUVUHAVOCE-UHFFFAOYSA-N 350.441 4.405 0 40 FIAB COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC=C(C)C4=C[C@@H]32)cc1 2119239 HSKOMYSWFSXSNI-MHXAIHSWSA-N 367.489 4.019 0 40 FIAB biogenic COc1ccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)cc1OC 2691575 ZWZKXLKNIRZCJS-UHFFFAOYSA-N 366.442 4.454 0 40 FIAB CCOC(=O)c1cc(NC(=O)Nc2nc3ccccc3s2)c(C)nc1C 3268117 OYURMRFZJJNSMX-UHFFFAOYSA-N 370.434 4.129 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)OCc1nnc(-c2ccccc2)o1 3552312 BYKSCQFERWZPRZ-UHFFFAOYSA-N 361.357 4.057 0 40 FIAB CCOc1ccc(N(CC)C(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1 4062750 VPTQAFCCLKXDJU-UHFFFAOYSA-N 364.445 4.121 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(C)cc2)s1 4079018 MWWZPGCUMXOGMH-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1ccc(Cl)cc1Cl 4751517 ZXBDKSGZMBRVIX-UHFFFAOYSA-N 371.220 4.148 0 40 FIAB O=c1nc(SCc2ccc(Cl)cc2)c2c(n1Cc1ccco1)CCC2 4940134 TUOBBAGNDPWANN-UHFFFAOYSA-N 372.877 4.319 0 40 FIAB COc1cn(-c2ccccc2)nc1C(=O)OCc1c(F)cccc1Cl 5149553 SIZFBZYXGJAGDK-UHFFFAOYSA-N 360.772 4.030 0 40 FIAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(F)c1 5259295 TYDVHQXWHDXILE-UHFFFAOYSA-N 362.408 4.135 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ncnc2sccc12 5299432 DSFIITSXUPXZPR-UHFFFAOYSA-N 354.218 4.016 0 40 FIAB C[C@@H]1CCc2c(sc3ncn4nc(COc5ccccc5)nc4c23)C1 5347773 LPVBXYFSHIAYGU-GFCCVEGCSA-N 350.447 4.043 0 40 FIAB CCCn1nc(NC(=O)COc2ccccc2)c2cc3ccc(C)cc3nc21 5478315 KGCVISXZKVGPJH-UHFFFAOYSA-N 374.444 4.320 0 40 FIAB CCCCn1c(O)c(C(=O)Nc2cc(C)cc(C)c2)c(=O)c2ccccc21 5737722 XOJCWUFVKSYUHO-UHFFFAOYSA-N 364.445 4.376 0 40 FIAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2cccc[n+]2[O-])cs1 5779893 SURAYCUKCADIIR-UHFFFAOYSA-N 371.487 4.062 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 5834229 FYGLNFKVYCLRJP-UZLBHIALSA-N 367.445 4.331 0 40 FIAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccco4)n3C)c[nH]c12 5863150 MAQCSRBLXJIQEC-UHFFFAOYSA-N 366.446 4.094 0 40 FIAB O=C(Nc1ccsc1C(=O)NCc1ccc(F)cc1)c1ccccc1 5899721 GESNVNSAYTUIDJ-UHFFFAOYSA-N 354.406 4.070 0 40 FIAB Cc1cc(NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1Br 6542644 BRVNIFHEXDYECQ-UHFFFAOYSA-N 373.250 4.137 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 6629066 PWWLGLTVEFUCEA-UHFFFAOYSA-N 350.418 4.237 0 40 FIAB C[C@H](NC(=O)C1(c2ccccc2F)CCCC1)c1nc2ccccc2[nH]1 6664313 WSBXPBNYPHBCNN-AWEZNQCLSA-N 351.425 4.391 0 40 FIAB O=c1c2c(nc3n1CCS3)c1ccccc1n2Cc1ccccc1Cl 6672055 JAKLVLGNGALWHY-UHFFFAOYSA-N 367.861 4.159 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1nc(-c2ccccn2)cs1 6848306 NEQKUIONDGQIAG-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1c[nH]c2ccccc12 7509729 DVBXUVXGPOWZMU-UHFFFAOYSA-N 353.765 4.228 0 40 FIAB COc1cc(CNC(=O)C2CCCCC2)ccc1OCc1ccccc1 7648906 LGMNUWZQULPCEG-UHFFFAOYSA-N 353.462 4.471 0 40 FIAB CN(Cc1ccco1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 7737029 NYVGPNBNKWILMO-HXUWFJFHSA-N 361.397 4.006 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7882464 IUADAQCALXDHKG-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1ccc(-c2cc(NS(=O)(=O)c3ccc4ccccc4c3)n[nH]2)cc1 7988250 ZZKBFTBZQRWDPC-UHFFFAOYSA-N 363.442 4.339 0 40 FIAB NC(=O)Nc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 8516308 FJJQFFCNDQCWAM-UHFFFAOYSA-N 373.456 4.129 0 40 FIAB C[C@@H](CCc1ccco1)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 9485134 HJQYGWFUKCVIRY-AWEZNQCLSA-N 365.458 4.431 0 40 FIAB c1ccc2sc(-c3csc(Cc4nnc5n4CCCCC5)n3)nc2c1 9740785 ZRLJUMHTMFUTRM-UHFFFAOYSA-N 367.503 4.329 0 40 FIAB Cc1cc(N[C@H](C)C(=O)Nc2ccccc2Cl)ccc1N1CCCC1=O 10749793 NBEUZWBDRROTLD-CQSZACIVSA-N 371.868 4.214 0 40 FIAB O=C(OCc1nnc(-c2cccs2)o1)c1ccc(SC(F)F)cc1 10766161 KZDQFBPHZHRZBF-UHFFFAOYSA-N 368.386 4.470 0 40 FIAB Cc1ccccc1-n1nnnc1SCc1nc(-c2ccccc2)oc1C 11251803 MXZMGIBMSLDTTI-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB O=C(CS[C@H]1CCc2ccccc2N=C1O)NCc1ccccc1Cl 11865944 FXTBXDAFYDTAPQ-KRWDZBQOSA-N 374.893 4.292 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12551041 BPHSUNIMGGPPSR-HUUCEWRRSA-N 369.852 4.170 0 40 FIAB Cc1nn(C)c(Cl)c1C(=O)NCC(C)(c1ccccc1)c1ccccc1 12748996 LYGLPQGDAQMBJJ-UHFFFAOYSA-N 367.880 4.118 0 40 FIAB CC(C)c1ccc(-c2nc(C(=O)Nc3cccc(C(N)=O)c3)cs2)cc1 12824138 RWTDCKLMDIZPMD-UHFFFAOYSA-N 365.458 4.285 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)NCCOc1ccc(Cl)cc1 12884046 OUSYIONDUYYBGN-UHFFFAOYSA-N 356.809 4.112 0 40 FIAB COc1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccc1OC(F)F 12910334 BJWWCHCRHJLVJB-CYBMUJFWSA-N 365.401 4.264 0 40 FIAB Cc1ccc(OCc2nc(C(=O)Nc3ccc4c(c3)OCO4)cs2)cc1 12927784 XYLAZBHARWWFCG-UHFFFAOYSA-N 368.414 4.012 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1ccc2ccccc2c1)c1ccc(F)cc1 12988502 AWYJUDROKMOZSX-MRXNPFEDSA-N 350.437 4.288 0 40 FIAB COc1cc2ccccc2cc1C(=O)OCC(=O)c1c[nH]c2ccccc12 13000427 OJHHQSGYHZOGEC-UHFFFAOYSA-N 359.381 4.369 0 40 FIAB COc1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1OC(F)F 13012635 OKXBVMVNHCGERQ-UHFFFAOYSA-N 350.296 4.169 0 40 FIAB O=C(Nc1ccc(Br)cn1)Nc1cc(F)c(F)cc1Cl 13208185 PMNYKTGCQTZMGD-UHFFFAOYSA-N 362.561 4.420 0 40 FIAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1c(CC)noc1C 13326926 MWKFAWLBSLYZEG-UHFFFAOYSA-N 350.440 4.159 0 40 FIAB Cc1ccc(COc2cccc(C(=S)N3C[C@H](C)O[C@H](C)C3)c2)cc1 13547747 XQTAXIVUEFZKPA-CALCHBBNSA-N 355.503 4.359 0 40 FIAB Cc1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2C)cc1 14138221 XIMAKPHGNVNUOS-UHFFFAOYSA-N 356.520 4.004 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cc1 14215663 DOPCOLQCKLXANE-UHFFFAOYSA-N 364.401 4.090 0 40 FIAB CCCn1nc(C)c(-c2cncn2CCc2ccc(OC)c(C)c2)c1C 19654606 VLKQQYBANOWMCP-UHFFFAOYSA-N 352.482 4.333 0 40 FIAB CN(C)CCN(Cc1ccccc1)Cc1cn[nH]c1-c1ccc(Cl)cc1 19722780 PBAULOAXXJHGSJ-UHFFFAOYSA-N 368.912 4.294 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20137322 FNWDDZPKZMGNON-UHFFFAOYSA-N 371.820 4.282 0 40 FIAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccn4)nc32)cc1C 21801757 YJUZEIZYEVRRIA-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB O=C(Nc1cccnc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 24430425 BTBIQZOVXNWAJL-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 27378600 QTIVHJXPTQAVLM-UHFFFAOYSA-N 374.481 4.083 0 40 FIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccc(F)c(F)c1 32610611 AXMQXHZQZYLXPK-UHFFFAOYSA-N 359.351 4.218 0 40 FIAB CC(C)c1csc(NC(=O)CCCc2nc(-c3ccccc3)no2)n1 32836962 WODPASMQIHGWKJ-UHFFFAOYSA-N 356.451 4.278 0 40 FIAB Cc1ccc2[nH]cc(C(=O)CN3CCN(c4cccc(C)c4C)CC3)c2c1 34807115 NAEZRPQXVJOQCS-UHFFFAOYSA-N 361.489 4.098 0 40 FIAB CN1CCCc2ccc(NC(=O)c3n[nH]c4c3C[C@@H](C(C)(C)C)CC4)cc21 35316704 QDQQHHMUPNTWKZ-HNNXBMFYSA-N 366.509 4.195 0 40 FIAB O=C(Nc1nc2c(s1)CCCC2)c1csc(Nc2ccccc2)n1 36709286 GQQAEHIUCXHFJL-UHFFFAOYSA-N 356.476 4.474 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1 38849421 JXHILRZCCFJWEO-UHFFFAOYSA-N 355.825 4.154 0 40 FIAB c1ccc(COc2cc(OCc3ccccc3)cc([C@@H]3CNCCN3)c2)cc1 39934044 PTOZVTYHZYBFAI-DEOSSOPVSA-N 374.484 4.079 0 40 FIAB Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2OC(F)F)cc1 40057158 FSVSZMCHEGQTEP-KRWDZBQOSA-N 360.404 4.372 0 40 FIAB O=C(NCc1cccc(COCc2ccco2)c1)c1c(F)cccc1F 40091099 LWVVGPHRGLEEER-UHFFFAOYSA-N 357.356 4.205 0 40 FIAB CC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 40094134 MYDFTSGEZQDFGK-UHFFFAOYSA-N 358.397 4.474 0 40 FIAB COc1cc(C)c(NC(=O)N(C)Cc2ccc(SC)cc2)cc1OC 40103465 TUEHEZKRENWXHN-UHFFFAOYSA-N 360.479 4.398 0 40 FIAB COc1ccc(-c2nc(C(=O)N(C)c3ccc(F)c(F)c3)cs2)cc1 56227176 LAVZRVCUSHITGT-UHFFFAOYSA-N 360.385 4.374 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc4c5c(cccc35)CC4)CC2=O)c1 57351164 SNHFEGCCWXSUQQ-GOSISDBHSA-N 370.452 4.238 0 40 FIAB CC(=O)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215495 SQWQPNZHABMZGM-QGZVFWFLSA-N 359.470 4.059 0 40 FIAB c1ccc(CN2CCCC[C@@H]2c2ccnc(Nc3nccs3)n2)cc1 72377364 ZYZUCZKBZWXWSX-QGZVFWFLSA-N 351.479 4.404 0 40 FIAB C[C@@H]1CN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)c2ccccc21 77216289 LGDPJCHLSNNXDV-OAHLLOKOSA-N 354.413 4.160 0 40 FIAB CC(C)n1ccc2ccc(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)cc21 79192642 BLBYDEFNBYMLIX-VQTJNVASSA-N 353.510 4.217 0 40 FIAB biogenic Cc1nc2ccccc2nc1NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 84057668 DETGPLJKMGUSTC-CQSZACIVSA-N 354.404 4.155 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)NC[C@H]3CCO[C@H](C)C3)cc2)nc1 95458238 OZLDIXGHGUPOKQ-CVEARBPZSA-N 355.438 4.119 0 40 FIAB Cc1ccc(N(C)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3F)C2)cc1 96009566 XVRMJODXUHBWQB-QGZVFWFLSA-N 359.420 4.406 0 40 FIAB Fc1cccc(CN2CCC3(CC2)CCN(Cc2ccccn2)CC3)c1 96047236 BAOWRCNVZFLMAM-UHFFFAOYSA-N 353.485 4.099 0 40 FIAB Cn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2c1CCCC2 96099150 ZSYCQUDCCFFRME-UHFFFAOYSA-N 371.912 4.081 0 40 FIAB Cc1ccc(NC(=O)N2CC[C@@]3(C[C@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227273 USNXXBXAOIHUKA-GHTZIAJQSA-N 367.424 4.017 0 40 FIAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 97134591 QNWUJZNVACCVGR-UHFFFAOYSA-N 364.401 4.065 0 40 FIAB COc1cccc([C@@H](C)CC(=O)N[C@H]2C(=O)Nc3ccc(C(C)C)cc32)c1 102145408 VMFUTHBHBIFVGS-LHSJRXKWSA-N 366.461 4.122 0 40 FIAB CCOc1ccc(NC(=O)CCc2nc(-c3cccc(Cl)c3)no2)cc1 169890537 DZUZNPFHTPFKAN-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1cccc2ccccc12 218912474 QJQBLWBCOPFUSF-UHFFFAOYSA-N 363.457 4.366 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219296033 ZFPANUHVBLVUSW-MAUKXSAKSA-N 371.477 4.301 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1C 219309344 FGGNVJCRVNGZOC-WMZOPIPTSA-N 353.462 4.489 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1cc(C)ccc1C 224043481 GDAKGPDNHMLGPZ-FQEVSTJZSA-N 355.478 4.273 0 40 FIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225741130 AFAFHVFJQQITAV-GOSISDBHSA-N 357.878 4.289 0 40 FIAB CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C(F)(F)F 225783228 KBUACCJOHIUTBC-UHFFFAOYSA-N 350.551 4.413 0 40 FIAB CC[C@@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccccc1C(C)C 260492676 IAUGYJAESYPHNB-RBUKOAKNSA-N 360.542 4.348 0 40 FIAB CO[C@@H]1CCC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)c2ccccc21 1614939639 UYHBSHFXWXIVTF-LJQANCHMSA-N 366.461 4.207 0 40 FIAB FC(F)(F)c1ccc(N2CCC(Cc3nc4ccccc4[nH]3)CC2)nc1 1640102486 XOLMFBOVJVCERZ-UHFFFAOYSA-N 360.383 4.436 0 40 FIAB O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cc2ccccc2)CC1 784017 QKMFKWDZHAKPOE-UHFFFAOYSA-N 372.468 4.260 0 40 FIAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccccc1F 948833 JYORILBIXABPCX-UHFFFAOYSA-N 359.451 4.050 0 40 FIAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCCCC1 955175 XTWXOQBTJRUHPD-UHFFFAOYSA-N 372.490 4.016 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](CC(=O)O)Cc2ccc(Cl)cc2)cc1 1013736 JKDKRCMGADXLPC-CQSZACIVSA-N 361.825 4.011 0 40 FIAB COc1ccc(OCCCSc2nnc3ccc4ccccc4n23)cc1 1924135 HSTJPFKEQUBHIU-UHFFFAOYSA-N 365.458 4.452 0 40 FIAB CCOC(=O)[C@H](NC(=O)c1ccccc1)C(C)(C)SCc1ccccc1 2042292 VCIDXQUUATUUMK-SFHVURJKSA-N 371.502 4.060 0 40 FIAB Cc1cc(Cl)cc(C)c1OCC(=O)OCc1nnc(-c2ccccc2)o1 2634865 ZIZZWONSCYADMG-UHFFFAOYSA-N 372.808 4.129 0 40 FIAB COC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2c1CCCC2 2708307 GALPBVGFXCNZOE-UHFFFAOYSA-N 355.415 4.412 0 40 FIAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1nnc(C2CC2)s1 3417910 GEQFRDWXCNRZJQ-UHFFFAOYSA-N 365.414 4.332 0 40 FIAB CC1(C)CC(N2COc3c(cc(Cl)c4cccnc34)C2)CC(C)(C)N1 4003704 SYJYOXCDRAMZEG-UHFFFAOYSA-N 359.901 4.349 0 40 FIAB COc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1OC 4250493 OVSZQZLDLLONTR-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 4334780 SZNJJJICGTXEJI-UHFFFAOYSA-N 352.415 4.142 0 40 FIAB CC(=O)c1ccccc1C(=O)NCCOc1cccc(Cl)c1Cl 4547241 NXWKTWTYLZKEIN-UHFFFAOYSA-N 352.217 4.005 0 40 FIAB O=C(NCCc1ccccc1)c1cc(-c2ccccn2)nc2ccccc12 4669060 OUFBQIXYNSMFTM-UHFFFAOYSA-N 353.425 4.269 0 40 FIAB Cc1cc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c2ccccc2n1 5356337 ABQCAEAUYBMAQF-UHFFFAOYSA-N 369.804 4.420 0 40 FIAB Cc1cc(/C=C2\NC(=O)N(C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 6961889 UOKJKSOXSIZOGL-STZFKDTASA-N 371.440 4.284 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1 7182447 BFCLFLLLOLIMEO-LJQANCHMSA-N 354.475 4.101 0 40 FIAB Cc1cc(Br)cc(C)c1NC(=O)Cn1cnc2ccccc21 7460786 WBUXWOMCMSXPPP-UHFFFAOYSA-N 358.239 4.054 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc2cccnc12 7979543 ZKLKVKSGAGJJPN-SFHVURJKSA-N 362.433 4.020 0 40 FIAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC[C@H]2CCCO2)cc1 7988637 QHYOXBVLQULKPK-WWFGTJDESA-N 369.505 4.191 0 40 FIAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCN(C)C)ncnc32)cc1 8412680 BYIKYTOSFAXOTE-UHFFFAOYSA-N 371.488 4.369 0 40 FIAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 8476697 LJERGQIFXZGVFW-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB O=C(Nc1ccc(Cl)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 8705131 HEVNDRODSBIYFY-UHFFFAOYSA-N 363.866 4.065 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCc2[nH]c3ccccc3c2C1 8762394 AFFAQLQJGHEKBL-UHFFFAOYSA-N 373.460 4.000 0 40 FIAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 8772130 YAVLOBHEXJVRLI-ZDUSSCGKSA-N 365.458 4.260 0 40 FIAB CC(=O)c1sc(NC(=O)[C@@H]2CC2(Cl)Cl)nc1-c1ccccc1 9447440 ZSUNHXDQMJUTKL-JTQLQIEISA-N 355.246 4.145 0 40 FIAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cc(F)cc(F)c3)c12 10491229 VCVAKOCWIJPQAQ-UHFFFAOYSA-N 355.300 4.322 0 40 FIAB O=C(NCCCc1ccccc1Cl)c1ccc(Br)cc1 10542278 FJSQKSRQSKRXIP-UHFFFAOYSA-N 352.659 4.465 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 10545001 GKHIWEWWSJWYBK-KRWDZBQOSA-N 363.461 4.370 0 40 FIAB COc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1F 10899488 ISDYICDDRDOBMH-UHFFFAOYSA-N 356.441 4.097 0 40 FIAB Cc1cc(C(=O)N[C@H](c2ccccc2)C(C)C)c2cnn(C(C)C)c2n1 10968133 UKZABXBWSJOLIK-IBGZPJMESA-N 350.466 4.448 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)C[C@@H](NC(C)=O)c1ccc(OC)cc1 11476871 FZAHRVOWSVAOGV-QVKFZJNVSA-N 368.477 4.415 0 40 FIAB Fc1ccc(-c2nc(NCCCc3ccccn3)ncc2-c2ncc[nH]2)cc1 12221941 UQERRJCQFQPVRQ-UHFFFAOYSA-N 374.423 4.113 0 40 FIAB Cn1cc([C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c2ccccc21 12330345 JCXCNWJVSOOQRF-JOCHJYFZSA-N 350.437 4.140 0 40 FIAB CCCn1cc(C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)n1 12366608 VOMUXLPKGOXXIL-ZFMNYDKASA-N 351.494 4.304 0 40 FIAB Cc1ccc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1 12416150 DJZLJDGUYAGQIY-AWEZNQCLSA-N 353.809 4.219 0 40 FIAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cccc(Br)c1 12561589 ZBBNHCYFAGIBQI-GFCCVEGCSA-N 359.267 4.377 0 40 FIAB COc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c(OC)c1 12614374 VFPBJELHYZKSOP-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc(Cl)ccc1O 12766760 OQYQSMBIMKWMTJ-UHFFFAOYSA-N 365.216 4.078 0 40 FIAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cnc2c(cnn2C(C)C)c1 13009195 YBSPJFZVLSZKRG-MRXNPFEDSA-N 350.466 4.453 0 40 FIAB CN1C(c2ccccc2)=NC2=S1N(c1ccc(Br)cc1)N=N2 13402054 YPDSEXBZRUJHKH-UHFFFAOYSA-N 374.267 4.215 0 40 FIAB biogenic Cc1ccc(OCc2nc(CC(=O)NCc3ccccc3F)cs2)cc1 14138937 ZKTPYEYLJFWGCL-UHFFFAOYSA-N 370.449 4.029 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 19135239 FWDIGTJGNVUUOH-OAHLLOKOSA-N 353.447 4.126 0 40 FIAB Clc1ccc(OCc2cc([C@@H]3CCN(Cc4ccccn4)C3)n[nH]2)cc1 19696180 YYIIPVDYYSHQJV-OAHLLOKOSA-N 368.868 4.027 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1Br 20107120 MDCLJHRWAHQDIT-INIZCTEOSA-N 364.239 4.254 0 40 FIAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 20894765 OCCWSMLRIBWQMT-UHFFFAOYSA-N 372.387 4.291 0 40 FIAB CC(=O)NC(=S)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1C 21596465 YSRTXDXVWLUKOM-UHFFFAOYSA-N 353.447 4.253 0 40 FIAB COC(=O)c1ccoc1COc1ccc(C(=O)c2ccc(F)cc2)cc1 23447587 NDQUEIWGRIAXBZ-UHFFFAOYSA-N 354.333 4.015 0 40 FIAB CCCc1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)sc1C 24092499 KFZGXNJZCKHSHE-UHFFFAOYSA-N 367.474 4.226 0 40 FIAB O=C(CSCc1nc(-c2cccs2)no1)Nc1ccc2c(c1)CCC2 24843722 ASHJYVFWCSZSLZ-UHFFFAOYSA-N 371.487 4.159 0 40 FIAB COc1ccc(CNC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 25130089 YPAAHGDAVMHPAK-UHFFFAOYSA-N 361.445 4.175 0 40 FIAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)s1 25616704 UXJWXYHDRIPKRN-ZDUSSCGKSA-N 354.431 4.427 0 40 FIAB CN(C)[C@@H](CNC(=O)/C=C/c1cccc2ccccc12)c1ccsc1 25814493 WCFLZWKQTZPMDR-CFGKVWFZSA-N 350.487 4.334 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(C(=O)Nn2cnc3ccccc32)cc1 27041669 YUZQLTAPWILZIH-UHFFFAOYSA-N 371.400 4.064 0 40 FIAB Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)cc1C 27664234 ARXCUYVAEZHGGX-IBGZPJMESA-N 372.534 4.087 0 40 FIAB Cc1ncc(-c2ccc(NC(=O)CSCc3c(C)noc3C)cc2)o1 29859092 BBACKGXBDDWDBT-UHFFFAOYSA-N 357.435 4.127 0 40 FIAB C[C@H]1c2cccc(C(=O)Nc3nnc(Cc4ccccc4)s3)c2O[C@@H]1C 32820155 PYGKQKULALZJAX-CHWSQXEVSA-N 365.458 4.266 0 40 FIAB CC[C@H](C(=O)NCCCc1cn(-c2ccccc2)nc1C)c1ccccc1 32912092 BCDCELDVECAGON-QFIPXVFZSA-N 361.489 4.423 0 40 FIAB O=C(NCc1cccc(OCc2ccccn2)c1)c1ccc(Cl)cc1F 32930599 FZRFUPHIGGQHOZ-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB O=C(Nc1cccc(-n2cnnc2)c1)c1ccc(-c2ccccc2Cl)o1 33201118 FVQDFZKVNNCRGD-UHFFFAOYSA-N 364.792 4.433 0 40 FIAB O=C(Nc1cccc(-n2cccn2)c1)[C@@H](c1ccccc1)N1CCCCC1 35322722 NVXHMMZKJUQGDF-OAQYLSRUSA-N 360.461 4.038 0 40 FIAB COc1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc(OC)c1C 36837952 VQXFJMOTKVFBEH-UHFFFAOYSA-N 365.433 4.067 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)Cc2ccc(OC(F)F)cc2)cc1 40023547 WRHHROMWGHLAON-UHFFFAOYSA-N 371.387 4.272 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@H]3c2ccsc2)c(OC)c1 40284258 CDDYKMZNDOMHFX-ZDUSSCGKSA-N 355.419 4.075 0 40 FIAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](CC(C)C)C(=O)O 40285418 GALDTZQFQJYGGR-CYBMUJFWSA-N 366.870 4.001 0 40 FIAB C[C@H]1CN(C(=O)c2cc(-c3ccc(F)c(F)c3)on2)c2ccccc2O1 41155572 ZLMSTPZWHXGPLR-NSHDSACASA-N 356.328 4.048 0 40 FIAB C[C@@H](OC(=O)c1cccc2cn[nH]c12)c1nc2ccccc2n1C(F)F 43978557 IYRNWXSAKSSREU-SNVBAGLBSA-N 356.332 4.226 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)N1CCC[C@@H]1c1ccc(F)cc1 44247870 FYSZRXLHNUTVQH-HXUWFJFHSA-N 364.424 4.440 0 40 FIAB O=C(Cc1ccc(Br)cc1)N1CCC[C@@H]1c1ccsc1 46911702 SIEZMDRKFSYUAE-OAHLLOKOSA-N 350.281 4.417 0 40 FIAB CCc1cccc(NC(=O)COc2cc(C)nc(-c3ccc(F)cc3)n2)c1 49006916 BXJVPCFSYJKVTA-UHFFFAOYSA-N 365.408 4.171 0 40 FIAB O=C(Nc1cccc(CN2CCOC2=O)c1)c1cc2cc(Cl)ccc2[nH]1 53521718 YQMIHEAKKMVQJW-UHFFFAOYSA-N 369.808 4.026 0 40 FIAB Cc1ccc(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)cc1F 78899690 IOLHEQQOHAJEHI-KRWDZBQOSA-N 372.440 4.381 0 40 FIAB O=C(N[C@@H]1COc2ccccc21)N(Cc1cccnc1)c1ccc(F)cc1 89857830 LQLCYKFEJIMZEP-LJQANCHMSA-N 363.392 4.071 0 40 FIAB Cc1cccc(NC(=O)N2[C@@H]3CCC[C@@H]2CC(NC(=O)C(C)(C)C)C3)c1 100426234 HUBJJRMFVGTSHN-QZTJIDSGSA-N 357.498 4.075 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 103334665 NFISXFSZKLGTHY-ZVZYQTTQSA-N 364.445 4.322 0 40 FIAB CN1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)[C@H](c2ccccc2)C1 109076676 AJGAGVPIDJBFLL-QFIPXVFZSA-N 373.456 4.003 0 40 FIAB CO[C@H](CNC(=O)CSc1ccc(F)cc1)c1ccccc1Cl 206850698 ODUXXGXVCXKPIM-MRXNPFEDSA-N 353.846 4.075 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219503117 FVEYCJNUVUKWKP-WBVHZDCISA-N 369.461 4.190 0 40 FIAB CCOc1ccccc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222667935 UYDQDJDBWUKODL-MDASCCDHSA-N 353.491 4.460 0 40 FIAB COc1ccc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1C 222960577 DMWVVJFNULAVGS-LBPRGKRZSA-N 360.251 4.358 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccc(C)c(Cl)c1 224169464 DMIZQAUSVSFOTG-KRWDZBQOSA-N 365.832 4.140 0 40 FIAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1OC 224246234 KXGSUXLGOBNSGA-UHFFFAOYSA-N 357.450 4.059 0 40 FIAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(Cl)cc1 224454324 WTYGJRVVEJTVDD-SJORKVTESA-N 354.866 4.240 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1CN1CCCC1 224787462 SUZRUEGEGVLOTO-JOCHJYFZSA-N 366.505 4.065 0 40 FIAB CSc1ccc(S(=O)(=O)N(C)c2cccc(C(F)(F)F)c2)cc1 224978404 ZBVBBYUGMYBRCJ-UHFFFAOYSA-N 361.410 4.252 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)/C(=C/c1ccco1)c1ccccc1 224981815 LENYQWFJBDAXEG-OQKWZONESA-N 374.440 4.296 0 40 FIAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1 225267765 RUUVDVYNQVDCEG-OAHLLOKOSA-N 374.506 4.236 0 40 FIAB CC(=O)N1CCc2ccc(NC(=O)c3cc4ccccc4s3)cc2C1 225616286 SOJSDWRWPKMYHD-UHFFFAOYSA-N 350.443 4.058 0 40 FIAB CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C)n2)cc1OCC 225752308 BWDVOTVNRGUOQW-CQSZACIVSA-N 359.495 4.235 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cccc(Cl)c3C)c2c1 225755046 XTVCZUMYKNZWMO-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB O=C(CCCC(=O)c1ccccc1)NCc1cccnc1-c1cccs1 225760140 DJISOSAWDITAJK-UHFFFAOYSA-N 364.470 4.480 0 40 FIAB COc1ccc(NC(=O)c2snnc2-c2ccc(F)cc2)cc1Cl 225780365 KQEGXDLYHQRKNJ-UHFFFAOYSA-N 363.801 4.259 0 40 FIAB CCCOc1ccc(NC(=O)[C@](C)(CCC)OCCC)cc1C(=O)OC 225841964 FRPIVTQWEOYQQJ-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB COc1ccccc1CN(Cc1cccnc1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 248147331 UELDHASLDDVUJP-NJDAHSKKSA-N 374.484 4.221 0 40 FIAB Cc1cncc(C(=O)N2CCC[C@@H]2c2ccnc(Nc3cccc(C)n3)c2)c1 257303553 SHRNDNIZGVXKMH-LJQANCHMSA-N 373.460 4.209 0 40 FIAB CO[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccsc2)c2nc(C)cs2)CC1 257331716 XTYXTNONMBWVCA-BZUAXINKSA-N 364.536 4.118 0 40 FIAB CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@@H]1CC 299888704 UNBMQQNYLCPCHS-NHUZMGQLSA-N 352.515 4.159 0 40 FIAB CCn1cc(C(=O)Nc2ccc(OC)c(Cl)c2)c(=O)c2cc(C)ccc21 408713199 NUZMXHCFAYOITQ-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 539112283 SSKHTTXDHVQBRR-UHFFFAOYSA-N 373.274 4.426 0 40 FIAB CCOC(=O)c1ccc(Br)cc1Oc1c[nH]c2nccc-2c1 584598502 QIMBNSRXYQXRGU-UHFFFAOYSA-N 361.195 4.246 0 40 FIAB C[C@H](OC1CCCCCC1)C(=O)Nc1ccc(Oc2cccnn2)cc1 622265682 JHUDWENTUVISOW-HNNXBMFYSA-N 355.438 4.335 0 40 FIAB O=C(NC1CC1)c1ccc(CN(Cc2cc(O)ccc2Cl)C2CC2)cc1 625053736 JGURWMNUCQYEGY-UHFFFAOYSA-N 370.880 4.102 0 40 FIAB O=C(CCc1ccccc1Br)N1CCC2(CC1)CC2(F)F 650602923 SNNWGHVLYAWXPM-UHFFFAOYSA-N 358.226 4.030 0 40 FIAB Cc1nc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nn3C)cc2[nH]1 1319739475 IOCOEUJBCAQIPB-UHFFFAOYSA-N 365.824 4.178 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)N1C[C@H](O)C[C@H]1c1ccccc1 1562097951 WZMFTUHUDQWTBN-MSOLQXFVSA-N 365.458 4.150 0 40 FIAB CC(C)N(Cc1cc(O)ccc1Cl)c1ccc(CC(=O)N(C)C)cc1 1645400157 GNCOIEVPLLMHFF-UHFFFAOYSA-N 360.885 4.091 0 40 FIAB Cc1ccc(SCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1 692722 YXVHZIPXFBNCDD-UHFFFAOYSA-N 356.491 4.254 0 40 FIAB CCOC(=O)COc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1 1236778 APXIGLPPEIQMKR-UHFFFAOYSA-N 358.777 4.055 0 40 FIAB biogenic CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2cccnc2)cc1 2380045 VMSYAOFCEAMPBF-RXFWQSSRSA-N 374.421 4.091 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc(Cl)c(Cl)c2)cc1 3250863 SQHAWPGCXASBRL-SNVBAGLBSA-N 367.232 4.135 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCCc2ccccc21 3387787 FVFUCBKLTJVLPA-NRFANRHFSA-N 359.473 4.356 0 40 FIAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(F)c2)CSC3)c1 4223324 LTIIOFBWXVFXQB-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccccc1 4775931 ILURSWUXWXTVOW-UHFFFAOYSA-N 355.397 4.005 0 40 FIAB CCCCn1c([C@H]2CC(=O)N(c3ccccc3OC)C2)nc2ccccc21 5026800 MUWWVUCOONIKDD-INIZCTEOSA-N 363.461 4.366 0 40 FIAB CCOC(=O)c1sc2nc(/C=C/c3cccc(Cl)c3)[nH]c(=O)c2c1C 5071173 RFLCKUFYDCJYMG-BQYQJAHWSA-N 374.849 4.294 0 40 FIAB COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)nc1 5266821 GFBDSTUDOJAFSZ-UHFFFAOYSA-N 369.852 4.007 0 40 FIAB COc1cc(NC[C@@](C)(O)CN(CC(C)C)CC(C)C)c2ncccc2c1 5834698 ZJRGXNVEMVYOLI-JOCHJYFZSA-N 373.541 4.020 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 6052316 JNXOMOTUJCSTEV-UZLBHIALSA-N 367.445 4.331 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1Cl 6152722 LDWBIGCCOBBKDJ-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB Cc1ccc(NCN2C(=O)c3cccc4cccc(c34)C2=O)cc1Cl 6401118 LNYSSMRIFOFLSK-UHFFFAOYSA-N 350.805 4.467 0 40 FIAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(F)c1C 6440125 GQDSRDMLGXLLOB-AUUYWEPGSA-N 372.440 4.414 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(Br)cc2)c(Cl)c1 6834694 PHIFPUKZRIKDLT-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB COc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccs1 6847167 ALBKPJXPKOEQBC-UHFFFAOYSA-N 358.444 4.323 0 40 FIAB COc1ccc(CC(=O)N(c2ccccc2)c2nc(C)cs2)cc1OC 8316564 ILDRMFGGIYRDGK-UHFFFAOYSA-N 368.458 4.376 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 9205103 FLJHBQJKKSKBED-CYBMUJFWSA-N 371.824 4.413 0 40 FIAB C[C@H](NC(=O)CSc1ncnc2ccsc12)c1cc2ccccc2o1 9478065 RMOUDJZWOKUONP-NSHDSACASA-N 369.471 4.407 0 40 FIAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccs1 9479233 CIJOOBGGXYWZLU-UHFFFAOYSA-N 354.475 4.341 0 40 FIAB Cc1ccc(C)c(NC(=O)Cn2c(-c3nnc(C)o3)cc3ccccc32)c1 9573805 DQTUXHOUZOEZHG-UHFFFAOYSA-N 360.417 4.255 0 40 FIAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1Br 10860521 ZPSFLIVGYVZRNQ-UHFFFAOYSA-N 374.156 4.485 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)c(F)c1 10994522 KSEFVAKVKXDRDU-UHFFFAOYSA-N 359.382 4.061 0 40 FIAB CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccnc1 11565861 WJJCSWJDFPGMPT-UHFFFAOYSA-N 362.495 4.359 0 40 FIAB O=C(O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1 11888182 WHDSWYYGSJGZAY-SOFGYWHQSA-N 351.171 4.265 0 40 FIAB Cc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1N1CCCCC1 12148463 GMDYDRDMVTYLEI-UHFFFAOYSA-N 374.488 4.482 0 40 FIAB CN(C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12560359 NWNDEMQVYPZYPY-KRWDZBQOSA-N 372.831 4.466 0 40 FIAB CC(C)N(C(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1)C(C)C 12798857 NZUOWJXAPMSSMQ-XEHSLEBBSA-N 364.540 4.163 0 40 FIAB O=C(O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 13166487 HEKCEFIRCQQSET-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1 13945730 NJZIMPXGVFHOQG-UHFFFAOYSA-N 370.924 4.219 0 40 FIAB Cc1oc2ncnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2c1C 14201614 VPRSVLDJJACGDZ-UHFFFAOYSA-N 359.813 4.289 0 40 FIAB O=C([C@H]1CC=CCC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 15318318 ILQILDNZUSKBQJ-AWEZNQCLSA-N 357.841 4.237 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nnc(-c2cccs2)n1 15555179 VJHDJCBFGXFKEN-UHFFFAOYSA-N 369.494 4.287 0 40 FIAB CC(C)Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)[nH]n1 15919763 ODFGRAQJCMTNGC-UHFFFAOYSA-N 358.858 4.095 0 40 FIAB CC1=CC(C)(C)N(C(=O)CSc2nc(C)cc(O)n2)c2cc(C)ccc21 16348183 NDRHNQALDOMCTH-UHFFFAOYSA-N 369.490 4.120 0 40 FIAB CCc1nc2sc([C@H](c3ccccc3F)N3CCC[C@@H](C)C3)c(O)n2n1 16690036 SNCTYSFMSVVDKV-WBMJQRKESA-N 374.485 4.019 0 40 FIAB O=C(NCCc1cccs1)c1cc(-c2ccncc2)nc2ccccc12 17909571 GMTKTYZYJRPOPG-UHFFFAOYSA-N 359.454 4.331 0 40 FIAB CCC(C)(C)NC(=O)Cn1c(-c2ccc(OC)cc2)cc2cccnc21 19499509 DLYLIVBTGWBDAY-UHFFFAOYSA-N 351.450 4.017 0 40 FIAB CCCC(=O)N1CCC(c2noc3nc(C)cc(C(F)(F)F)c23)CC1 19501148 FYKNOFDQKBKADY-UHFFFAOYSA-N 355.360 4.056 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCc1ccccc1OC 20487608 YVUZYATZFFTUJK-IBGZPJMESA-N 355.478 4.218 0 40 FIAB O=C(c1ccccc1F)N1CCN(C2c3ccccc3-c3ccccc32)CC1 20530709 HAOYLIWOTNERSU-UHFFFAOYSA-N 372.443 4.354 0 40 FIAB C[C@@H]1CCc2onc(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)c2C1 20572113 DHNIUOSEDJXWNA-SNVBAGLBSA-N 357.797 4.360 0 40 FIAB O=C(CCCc1nc2ccccc2s1)Nc1cccc(-c2nnco2)c1 24696275 DAYHAGMZQYASMF-UHFFFAOYSA-N 364.430 4.308 0 40 FIAB O=C(NOCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)cc1 25039541 HMLKSODJUYWBDC-UHFFFAOYSA-N 365.816 4.433 0 40 FIAB C[C@@H](NC(=O)c1ccccc1OC(F)F)c1ccccc1OC(F)F 25300257 LQWRFQJFBRTVHU-SNVBAGLBSA-N 357.303 4.380 0 40 FIAB COc1ccc([C@H](CNC(=O)c2cccc(C)c2)N2CCCCCC2)cc1 27793233 BCLDRCXKVCLZJW-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB biogenic Cc1nc(-c2ccccc2)sc1C(=O)N1CCO[C@H](c2ccccc2)C1 27909862 KZAZSAFCLWYVKU-SFHVURJKSA-N 364.470 4.332 0 40 FIAB CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)cc1 28291902 QLMCLUIXUUAHKS-NRFANRHFSA-N 354.494 4.288 0 40 FIAB C[C@H](NCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 28616988 AEZZNDPGNLRZDA-ZDUSSCGKSA-N 367.880 4.306 0 40 FIAB Cc1nc(COc2cccc(/C=C/C(=O)N3CCC[C@H](C)C3)c2)cs1 29510150 BRCUJKGEAYIIOC-HVHJFMEUSA-N 356.491 4.302 0 40 FIAB O=C(Cc1csc(Cc2ccccc2)n1)N(Cc1ccccc1)C1CC1 30844593 RBMHZQODDIOOCS-UHFFFAOYSA-N 362.498 4.468 0 40 FIAB CCN(C(=O)[C@H](C)Nc1c(C)nn(-c2ccccc2)c1C)C1CCCCC1 32900807 IRWGNJKUEXNZNU-KRWDZBQOSA-N 368.525 4.471 0 40 FIAB CN(CCOc1ccc(F)cc1)C(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 35316580 FPAMVRAFUFKBKA-AWEZNQCLSA-N 374.456 4.116 0 40 FIAB CC(=O)c1sc(N(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)nc1C 36612200 FJYHMJIGJZAJLR-UHFFFAOYSA-N 368.380 4.482 0 40 FIAB COc1ccc(CCNC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 40104085 BYFVJOHLPPVQHQ-UHFFFAOYSA-N 367.474 4.491 0 40 FIAB O=C(Nc1ccc(F)cc1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140095 ZDINPSPCZJAYIC-UHFFFAOYSA-N 357.335 4.031 0 40 FIAB C[C@@H](Cc1ccsc1)NC(=O)N(C)Cc1ccc(Br)s1 48858995 DELWAEAAJMLDQD-JTQLQIEISA-N 373.341 4.345 0 40 FIAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cn1 68339466 KQFBRUJHGNJUGB-LJQANCHMSA-N 364.424 4.287 0 40 FIAB Cc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nccs1)OCO2 72341776 CGAAMBHDWFGWIQ-OAHLLOKOSA-N 358.488 4.315 0 40 FIAB O=C(c1ccncc1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349139 DMDWNMFJQXGHTB-KRWDZBQOSA-N 361.420 4.303 0 40 FIAB Oc1cc(C2CCN(CC3CCCCC3)CC2)nc(-c2cccnc2)n1 72392738 RZCFLPIPGNETBO-UHFFFAOYSA-N 352.482 4.004 0 40 FIAB Cc1c(N)c(Br)cc2nn(-c3cccc4ccccc34)nc12 73740143 UCISYDISYJDPHU-UHFFFAOYSA-N 353.223 4.227 0 40 FIAB Cc1nccc(-c2cccc(NCC(=O)N3c4ccccc4CC[C@@H]3C)c2)n1 84290752 GWYAIXRJWMHINH-INIZCTEOSA-N 372.472 4.232 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)NCc2cc(C(C)C)no2)cc1 114534648 JWIPLBZUQVUYHK-LJQANCHMSA-N 357.454 4.243 0 40 FIAB O=S(=O)(NCc1cncc(-c2ccsc2)c1)c1ccc(Cl)s1 206950034 LZQLRFINLWBVLW-UHFFFAOYSA-N 370.908 4.004 0 40 FIAB Cc1c(CO)c2ccccc2n1C(=O)COc1ccc(C(C)(C)C)cc1 216720919 XRUJPGHXEDXYPX-UHFFFAOYSA-N 351.446 4.459 0 40 FIAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccc2ccccc12 222845070 IVBHPCMBUGXNCE-UHFFFAOYSA-N 366.420 4.270 0 40 FIAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1C(C)C 223703407 RPABEXKCEZLNMG-UHFFFAOYSA-N 367.898 4.293 0 40 FIAB O=C(c1cccc(F)c1)N1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257292818 QNBMSHSBSPKUCB-MRXNPFEDSA-N 368.383 4.173 0 40 FIAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC1(c2cccs2)CCCC1 390829510 ZKUPYEYLMWFTIX-UHFFFAOYSA-N 369.465 4.487 0 40 FIAB CCN(CC)C(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409075340 YYOQQZCQVDRPCL-UHFFFAOYSA-N 364.489 4.074 0 40 FIAB CN(C(=O)c1cnc(O)c2ccccc12)[C@H]1CC[C@@H](C(F)(F)F)CC1 585085201 VGBZHDYOCUPPST-TXEJJXNPSA-N 352.356 4.134 0 40 FIAB Cc1ccc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2ccc(F)cc2)nc1 2037989034 SGRMDHJFXRPZAZ-UTKZUKDTSA-N 353.485 4.409 0 40 FIAB COc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C1CCCCC1 1370225 BJRCVQCNUFNUGY-OALUTQOASA-N 356.510 4.143 0 40 FIAB Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3OC[C@H]2C(C)(C)C)cc1 1392427 XITWLUWLYLPZIK-IBGZPJMESA-N 359.491 4.306 0 40 FIAB COc1ccc(-c2csc(NC(=O)C(C)C)n2)cc1Br 2260974 ZRBIMNICLHEZAK-UHFFFAOYSA-N 355.257 4.176 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(F)cc1)CO2 2380635 MOUZZVKPVBEDLM-UHFFFAOYSA-N 351.377 4.086 0 40 FIAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 2637597 QQYOKQWKGDGAKA-MRXNPFEDSA-N 356.274 4.349 0 40 FIAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCN(C)C)c(C(C)C)c1 2757273 ZHVCNTLWBLKFPV-UHFFFAOYSA-N 368.587 4.287 0 40 FIAB CCOC(OCC)n1c(=S)n(C(OCC)OCC)c2ccccc21 3140809 NPHKNIVXQWFEBZ-UHFFFAOYSA-N 354.472 4.230 0 40 FIAB CN(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 3302175 WZRCZDCGLFEEQX-UHFFFAOYSA-N 372.635 4.467 0 40 FIAB O=C(Cc1coc2cc(O)ccc12)OCc1ccccc1C(F)(F)F 3351395 JIMNHAQMKITBCF-UHFFFAOYSA-N 350.292 4.443 0 40 FIAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cccs1 4342535 HTIBGERZQVDGQY-UHFFFAOYSA-N 368.380 4.409 0 40 FIAB CCN(CC)CCN(C(=O)Cc1ccccc1)c1nc2ccccc2s1 4585321 NWCAJOPQPGMIMJ-UHFFFAOYSA-N 367.518 4.214 0 40 FIAB COc1ccc(CNC(=O)c2csc(Nc3ccc(C)c(C)c3)n2)cc1 4675291 PLVGLCDEDRJHHF-UHFFFAOYSA-N 367.474 4.442 0 40 FIAB C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 5357463 OGZGRPMIKQLVRM-QGZVFWFLSA-N 358.441 4.300 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc(N2CCCCC2=O)c(C)c1 5441322 SKIKFWKKOKBAOP-UHFFFAOYSA-N 352.434 4.163 0 40 FIAB O=C(COc1ccccc1-c1nc2ccccc2s1)NCc1ccco1 6788507 XWYCBKOZQCREHW-UHFFFAOYSA-N 364.426 4.252 0 40 FIAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 6935610 PJBQYCMXCFNMFU-UHFFFAOYSA-N 372.490 4.157 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)OCc2cc(Cl)cc3c2OCOC3)c1 7158878 BAPHZXHJMNVGNK-ZDUSSCGKSA-N 362.809 4.026 0 40 FIAB COc1ccccc1/C=C/C(=O)NCc1ccc(CN2CCCCC2)cc1 7447713 NYZYVLHIBSTZQD-BUHFOSPRSA-N 364.489 4.011 0 40 FIAB O=C(COc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2=O)cc1 7643947 HXBYYVSSNFOLIL-UHFFFAOYSA-N 364.228 4.382 0 40 FIAB O=C(COc1ccc(F)cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 7898956 IVSUYXOIQZFOQM-UHFFFAOYSA-N 359.784 4.434 0 40 FIAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc[nH]1 7990484 NAYNCBQTIMQQEP-UHFFFAOYSA-N 362.252 4.142 0 40 FIAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2o1 8240456 PXLOICHELPKQJT-OAHLLOKOSA-N 362.429 4.046 0 40 FIAB Fc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 8987368 FSQKNIRXBHBKAO-UHFFFAOYSA-N 366.421 4.413 0 40 FIAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)CC(C)C)cc1 9233999 WBSBUPKUQJTTOE-UHFFFAOYSA-N 364.445 4.116 0 40 FIAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCCC1 9500669 YKGFGADZLZRNCW-LBPRGKRZSA-N 365.886 4.273 0 40 FIAB C[C@@H](c1ccccc1)N(C)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 10030954 ZXCRAMBUWHUEGH-YVEFUNNKSA-N 374.893 4.363 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl 11613856 SDVNTNRGFONANQ-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB CC(C)c1cccc(NC(=O)Cc2n[nH]c(=S)n2Cc2ccccc2)c1 11869451 LTJFDCNHMMDUAE-UHFFFAOYSA-N 366.490 4.294 0 40 FIAB Cc1cc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc(C)n1 12016771 BYWFOYRIWOZLNQ-SNVBAGLBSA-N 355.385 4.232 0 40 FIAB CC1(C)CCCN(Cc2nc(-c3cccnc3OC3CCCC3)no2)C1 12234022 YXQDCJWHUCLAPE-UHFFFAOYSA-N 356.470 4.075 0 40 FIAB c1ccc(-n2c(SC[C@@H]3COc4ccccc4O3)nnc2C2CC2)cc1 12552389 HYDGXPJUTCFXOZ-INIZCTEOSA-N 365.458 4.077 0 40 FIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccc(NC(=O)C3CC3)cc2)o1 12824360 UJYKJECOJDXLHZ-WXSROECBSA-N 364.445 4.081 0 40 FIAB Cc1ccc(C(=O)NCC(=O)Nc2ccccc2Oc2ccccc2)cc1C 12942490 GWWLXOBIZPHWFI-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 13710855 MCPKRKBEMSPXCS-HXUWFJFHSA-N 366.505 4.036 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 15028469 JURJRQHAQIYCBK-NSHDSACASA-N 351.855 4.477 0 40 FIAB CC(=O)c1ccc(NCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 15288326 RDAXAPVNSDUUGK-AWEZNQCLSA-N 354.475 4.219 0 40 FIAB COc1ccc2cc(CN(C)[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)ccc2c1 16353919 VINFBPFYDDDKGD-OKZBNKHCSA-N 368.521 4.458 0 40 FIAB Cc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3C)cc1C 17052978 HPFAMOHFVUIQRO-UHFFFAOYSA-N 358.449 4.336 0 40 FIAB Cc1noc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc(C(F)F)c12 19563785 PLSMSJNAXMVATK-CYBMUJFWSA-N 363.408 4.365 0 40 FIAB Cc1noc2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc(C(F)(F)F)c12 19564415 RLTNAPXVVJBTEE-UHFFFAOYSA-N 369.387 4.302 0 40 FIAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1C(C)C 20034445 QWGDZVFHBNFTND-UHFFFAOYSA-N 363.874 4.417 0 40 FIAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20141660 MOZSFFRSRQFCQM-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB COc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 22124292 FSTGDSZQYRGIFK-XVNBXDOJSA-N 352.217 4.080 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 23028671 DLDQZXVIJLRTGE-UHFFFAOYSA-N 366.505 4.392 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 24389977 LYPRIOUOZUGGLN-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB Cc1cc(CN(C)C(=O)c2cn(Cc3ccccc3)c3ccccc23)no1 25137659 JYYWYAYJPFRJRK-UHFFFAOYSA-N 359.429 4.258 0 40 FIAB Cc1cc(C(=O)OCc2ccc(C(=O)N3CCCC3)cc2)c(C)n1C1CC1 25635766 CPIWKPFCCWHVIH-UHFFFAOYSA-N 366.461 4.033 0 40 FIAB O=C(NC[C@@H](c1cccs1)N1CCCC1)C12CC3CC(CC(C3)C1)C2 27663903 XOMXFLYTVAIWTF-QQABJKMWSA-N 358.551 4.218 0 40 FIAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CCCC2 28249187 DKVHAPPVMLKTJO-UHFFFAOYSA-N 355.381 4.385 0 40 FIAB CC(=O)Nc1cc(N[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)ccc1F 30010605 VYVTTWKIJRIPGN-CYBMUJFWSA-N 357.429 4.347 0 40 FIAB O=C(Nc1ccc2c(c1)CCO2)c1cc(-c2ccccn2)nc2ccccc12 31343710 CFZOBIPHDSXRIA-UHFFFAOYSA-N 367.408 4.484 0 40 FIAB Cc1cccc(C(=O)N[C@@H](C)c2cccs2)c1I 32475888 CSVIEZGMIVTZPT-JTQLQIEISA-N 371.243 4.152 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)c1ccc(COc2ccc(F)cc2)o1 33000220 OKZWAQJTROLBOR-UHFFFAOYSA-N 357.356 4.409 0 40 FIAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2c(-c3ccccc3)c(C)nn12 36615739 ZZYHYDLDQCSMLV-UHFFFAOYSA-N 373.412 4.167 0 40 FIAB C[C@@H]1c2cc3c(cc2CCN1C(=O)Nc1ccc(F)cc1)OCCCO3 36625373 DPRPKJYBGQAREV-CYBMUJFWSA-N 356.397 4.138 0 40 FIAB COCCn1cnnc1SCc1csc(-c2ccc(C(C)C)cc2)n1 39579655 HULLAGXBMFOOFD-UHFFFAOYSA-N 374.535 4.464 0 40 FIAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cccc2ccccc12 39963250 VMFNTNPOCPIDMC-UHFFFAOYSA-N 362.816 4.447 0 40 FIAB C[C@H]1CC(=O)c2c(OCC(=O)Nc3cccc4ncccc34)ccc(F)c21 40068630 PCDVLOLKZXGMEW-LBPRGKRZSA-N 364.376 4.081 0 40 FIAB CN(Cc1ccccc1C(F)(F)F)C(=O)NCCOc1ccccc1F 40068719 GEYVOMXFHZZZJV-UHFFFAOYSA-N 370.346 4.065 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2ccccc2F)c1 40285138 XFDIQENDAHNFQN-AWEZNQCLSA-N 367.380 4.152 0 40 FIAB CCN(CC)Cc1ccccc1NC(=O)N(C)Cc1ccc(OC)cc1 47568498 OVOZBDHRQABYTC-UHFFFAOYSA-N 355.482 4.201 0 40 FIAB O=C(CCc1ccc(Cl)cc1)Nc1ccc(Oc2ncccn2)cc1 48201967 OZKMOHQSVGASSQ-UHFFFAOYSA-N 353.809 4.494 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)N(Cc2ccccc2)C2CC2)cc1 48369246 UMCDAYQWFUAFHL-XNTDXEJSSA-N 364.445 4.459 0 40 FIAB Cc1ccc(-n2nnc(C(=O)NCc3ccc(C(C)C)cc3)c2C)cc1C 51318215 RBIAAFVUYDECKW-UHFFFAOYSA-N 362.477 4.246 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cn2ccnc2)cc1 60603586 DAJMJVWSOHITBW-UHFFFAOYSA-N 360.461 4.174 0 40 FIAB C[C@](O)(CCc1ccccc1)CNC(=O)NCc1cccc2ccccc12 62021536 MUSKHGIQTWKLNC-QHCPKHFHSA-N 362.473 4.023 0 40 FIAB CC(C)(C)[C@H](NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccs1 63161507 YBWLMICVLKQTRM-GFCCVEGCSA-N 373.400 4.364 0 40 FIAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccccc3)oc12 67298894 YGFRGGDWFWKIRK-GYHWCHFESA-N 374.396 4.197 0 40 FIAB O=C(NC[C@@H](O)C1CCCCC1)NC(c1ccccc1)c1ccccc1 70636843 IGOATMMFZWVNHT-HXUWFJFHSA-N 352.478 4.016 0 40 FIAB C[C@H](Sc1ccc(Cl)nn1)C(=O)N1CCC[C@@H]1c1cccs1 73930895 ONOBJJWLQMLSCQ-WDEREUQCSA-N 353.900 4.036 0 40 FIAB Cc1c(C(=O)Nc2ccc(N(C)C)cc2)cnn1-c1cccc(Cl)c1 74439622 OYJGXOHVZPTEFE-UHFFFAOYSA-N 354.841 4.152 0 40 FIAB C[C@H](Sc1ccc(Cl)nn1)C(=O)N(C)Cc1c(F)cccc1Cl 89368851 DOTKPKXANONILV-VIFPVBQESA-N 374.268 4.062 0 40 FIAB O=C(NCC[C@H](O)c1cc2ccccc2o1)c1ccccc1Br 96097252 WPGZIWLVFONLFZ-HNNXBMFYSA-N 374.234 4.049 0 40 FIAB COc1ccc(NC(=O)c2ccc3ccc(N4CCC(C)CC4)n3c2)cc1 96264104 ABLNQGOQLURYRY-UHFFFAOYSA-N 363.461 4.437 0 40 FIAB Cn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cc(Cl)ccc21 100842105 IUVJZJROSOOLTQ-MNDPQUGUSA-N 359.863 4.244 0 40 FIAB O=C(Nc1cc(-c2cccs2)no1)c1ncc(-c2ccc(F)cc2)o1 206587935 QFMPCWGJHCJUOT-UHFFFAOYSA-N 355.350 4.450 0 40 FIAB Cc1cc(OCC(=O)NCCSC(C)(C)C)cc(C)c1Br 218835272 PFYOYZRCABZWLN-UHFFFAOYSA-N 374.344 4.093 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)Oc2cc(C)ccc2C)c2ccccc12 222612285 CPIHBVSQLXWOHZ-HNNXBMFYSA-N 351.402 4.152 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2C(C)C)c1 222807122 YTCLCXRIPXQABL-UHFFFAOYSA-N 361.825 4.268 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)c1 223627034 VGABFOJMDSZWGC-GOSISDBHSA-N 363.457 4.419 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2c(F)cccc2F)cc1C 225790632 XPYXVKKOZGYYSN-CYBMUJFWSA-N 350.434 4.336 0 40 FIAB COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)c(OC)c1 228948936 KNXPYBBCDRYMQV-UHFFFAOYSA-N 358.438 4.349 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@@]21C 253614060 YVCQLADPAZVQRJ-FVWCRIIGSA-N 374.521 4.155 0 40 FIAB Cc1noc(C)c1-c1cccc(C2CCN(Cc3nccs3)CC2)n1 257312608 UOTIHWOKTBLCIG-UHFFFAOYSA-N 354.479 4.190 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc2c1=O 408713163 MJQTXCVJZAUOHD-UHFFFAOYSA-N 354.409 4.048 0 40 FIAB O=C(NC1CC(c2cccc(Cl)c2)C1)c1cc2ccccc2c(O)n1 508281994 KGZBYJLQCKAOPW-UHFFFAOYSA-N 352.821 4.270 0 40 FIAB COc1ccc([C@H](NC(=O)Nc2c(C)cc(OC)c(C)c2C)C2CC2)cn1 529097785 KEVFTWSPEXKQFO-HXUWFJFHSA-N 369.465 4.297 0 40 FIAB CCn1ncc(NC(=O)N[C@@H]2[C@@H](c3ccccc3)C2(C)C)c1C(F)(F)F 626552981 UJMZXQCVHDBISN-ZIAGYGMSSA-N 366.387 4.236 0 40 FIAB Cc1cccc(-n2cc(CNc3cccc([C@H]4CCC(=O)N4)c3)c(C)n2)c1 651831499 WNWFRGOWWGCGAK-OAQYLSRUSA-N 360.461 4.052 0 40 FIAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N2CC[C@@H](C)O[C@@H](C)C2)cc1 660364403 CBHZPSBFAQNCRY-KURKYZTESA-N 362.514 4.004 0 40 FIAB Cc1nccn1-c1ccc(NC(=O)c2ccc(Cl)c3occc23)cn1 1630182468 YRIUYZLBHVJHKK-UHFFFAOYSA-N 352.781 4.228 0 40 FIAB CCN(CC)c1ccc2cc(-c3nnc(-c4cccs4)o3)c(=O)oc2c1 846054 SGVUCDASOSIPEN-UHFFFAOYSA-N 367.430 4.418 0 40 FIAB Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCCCCC2)cc1 883935 ARPSYPCLVXUHDY-FQEVSTJZSA-N 353.514 4.452 0 40 FIAB CCOc1ccc2nc(Nc3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1 1849318 BTNFKUJDRXQWGT-UHFFFAOYSA-N 363.343 4.198 0 40 FIAB CC[C@@H](C)OC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2412805 XNNBBYVRNRSWGB-CQSZACIVSA-N 374.444 4.420 0 40 FIAB O=C(NCC[C@H](c1ccc(F)cc1)c1ccco1)C(=O)c1cccs1 2453323 SMFJRFBHYNZKES-OAHLLOKOSA-N 357.406 4.001 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 2610064 NFTUFUGPZPTNNR-UHFFFAOYSA-N 366.211 4.251 0 40 FIAB CCSc1nnc(NC(=O)c2c(C)c(CC)nc3ccccc23)s1 2635678 HYSZVHSNSHVMCP-UHFFFAOYSA-N 358.492 4.321 0 40 FIAB COc1ccc(C)c2sc(NC(=O)c3ccc4ncsc4c3)nc12 2723933 CLZPRXHNWZVPQS-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl 2734100 KNHPHYJEPPHVOV-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CCCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCC2 2737077 LMNHOZPBZIRNKA-UHFFFAOYSA-N 373.474 4.455 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3230086 QGPMTZSBHQBMKD-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB COc1cc(/C=C/C(=O)NCc2ccccc2Cl)ccc1OC(F)F 3245328 ZNDIXUAKYQYEDX-VQHVLOKHSA-N 367.779 4.280 0 40 FIAB CCc1cccc2c(C(=O)COC(=O)CCc3ccc(OC)cc3)c[nH]c12 3370282 KUWDTRLEUFLZNW-UHFFFAOYSA-N 365.429 4.098 0 40 FIAB COc1ccc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 3899344 GOOSOUULQONCOU-UHFFFAOYSA-N 355.444 4.475 0 40 FIAB CCOc1ccc(C(=O)N2CCN=C2SCc2ccc(C)cc2)cc1 4120361 SOBJGMFUZZFWCJ-UHFFFAOYSA-N 354.475 4.139 0 40 FIAB CCCCn1c(=O)c2oc3ccccc3c2n(Cc2cccc(C)c2)c1=O 4316117 PPDXZQMFUZTZAZ-UHFFFAOYSA-N 362.429 4.066 0 40 FIAB COc1ccc(C)c2sc(NC(=O)COc3ccc(Cl)cc3)nc12 4331076 NNSXECQBRFHGAU-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB CCOc1ccc(N2C(=O)S/C(=C/c3nc4ccccc4[nH]3)C2=O)cc1 4470012 ZODJHOXWTAJRJT-LFIBNONCSA-N 365.414 4.203 0 40 FIAB Cc1nnc(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1C1CCCCC1 4492687 ZQCMJDLLTJUTSC-GFCCVEGCSA-N 369.494 4.182 0 40 FIAB CC(C)CC(=O)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 4732427 HWOAGPAZCZSGND-UHFFFAOYSA-N 369.856 4.292 0 40 FIAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1 4748743 MBQMNIJIZKHXEO-UHFFFAOYSA-N 374.271 4.437 0 40 FIAB CC[C@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)Nc1nnc(C)s1 4999564 AJIRCXRNPRMPKQ-ZDUSSCGKSA-N 373.507 4.054 0 40 FIAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccn1 5100989 PPYGZYMGMXIPRT-UHFFFAOYSA-N 351.262 4.476 0 40 FIAB Cc1cc(-n2ccnc2C)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 5207836 CUAZKSNWNZZZPI-UHFFFAOYSA-N 357.339 4.218 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)c(C)c1 5270587 FOXZEGPNGPACSR-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1 5382016 RAGUKALLFVJDAU-AWEZNQCLSA-N 368.408 4.200 0 40 FIAB CCCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccncc1 5430390 DLDXOGRDEKJASM-UHFFFAOYSA-N 374.416 4.003 0 40 FIAB CC(C)CN(CC(C)C)C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 5560696 OONYFCYEGAKUMJ-UHFFFAOYSA-N 350.572 4.218 0 40 FIAB COc1ccc(CCC(=O)Nc2ccccc2C(F)(F)F)cc1OC 6886744 ANTOPJACYNJBMD-UHFFFAOYSA-N 353.340 4.294 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1)c1ccccc1 7405005 WMBAVUYNJOMVIS-VGSWGCGISA-N 366.505 4.330 0 40 FIAB COc1ccc(CN(C(=O)COc2cccc3ccccc23)C2CC2)cc1 7892309 AUYNPUMGDJGZQA-UHFFFAOYSA-N 361.441 4.418 0 40 FIAB Clc1ccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)cc1 7905421 FVZHUFPZTHGTEO-UHFFFAOYSA-N 373.869 4.486 0 40 FIAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(F)c(F)c3)c2C)cc1 8077368 SCUIMRVTWIYLLN-UHFFFAOYSA-N 355.388 4.387 0 40 FIAB Cc1ccccc1OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 8586603 WFRSUENYZHBESE-UHFFFAOYSA-N 366.486 4.390 0 40 FIAB CCCC[C@@](O)(c1ccc2[nH]c(NC(=O)OC)nc2c1)c1cccs1 8655722 UNQYKYUWZCVVDW-GOSISDBHSA-N 359.451 4.229 0 40 FIAB C[C@@H]1C[C@H](Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C(=O)O1 9516050 BSNGISICPXGOIQ-CJNGLKHVSA-N 363.442 4.002 0 40 FIAB CC(C)[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1ccc(F)cc1 9691818 AFSKYPWVVXFQKZ-OAHLLOKOSA-N 372.425 4.026 0 40 FIAB Cc1ccccc1CSCCNS(=O)(=O)Cc1ccc(Cl)cc1 9694944 ZPCRVLNSWZHNKN-UHFFFAOYSA-N 369.939 4.001 0 40 FIAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cccc2c1CCCC2 10410503 IACKXRAFFLSPRW-UHFFFAOYSA-N 355.306 4.442 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccccc2C)c1C 10442144 ZMOOMENWTMANCZ-UHFFFAOYSA-N 357.475 4.352 0 40 FIAB COc1ccc2cc(CNC(=O)N(C)Cc3ccccc3OC)ccc2c1 10495192 FGTRDCPZXWVQQP-UHFFFAOYSA-N 364.445 4.199 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10769001 LVYIUCKCFJCYQM-OAHLLOKOSA-N 368.502 4.141 0 40 FIAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)cc1 11381141 MYSJVVDWKGPWKS-LBPRGKRZSA-N 364.239 4.172 0 40 FIAB O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccccc1Cl 12525938 KHHIFJPRZZPYSF-UHFFFAOYSA-N 351.733 4.039 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COc1cccc(Oc2ccccn2)c1 12527614 DTAKCDSUHSJHMC-MRXNPFEDSA-N 360.413 4.231 0 40 FIAB O=C(Nc1cc(F)ccc1F)c1csc(COc2ccc(F)cc2)n1 12781620 ROJQCXDAEZEAJJ-UHFFFAOYSA-N 364.348 4.392 0 40 FIAB Cc1ccccc1CCNC(=O)c1sc(NC(=O)c2ccco2)cc1C 14140113 KUGPTAQTVGSRJI-UHFFFAOYSA-N 368.458 4.183 0 40 FIAB Cc1cc2oc(=O)cc(CN(C)Cc3cnn(-c4ccccc4)c3)c2cc1C 15037728 JRARQLZPNAHXEG-UHFFFAOYSA-N 373.456 4.228 0 40 FIAB Cc1cc(Br)cc(Br)c1NC(=O)c1ccco1 16269495 JBCYHHRIUNRMME-UHFFFAOYSA-N 359.017 4.365 0 40 FIAB COc1ccccc1[C@@H]1SCC(=O)N1c1ccc(C(F)(F)F)cc1 17198174 GCDFZMJBYUSEOC-INIZCTEOSA-N 353.365 4.493 0 40 FIAB Cc1nn(C2CCCC2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(O)=N2 17209528 WOJUILBPSAQFQV-GOSISDBHSA-N 371.462 4.460 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 17289101 HSUDIPQJIYQSFD-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB COc1ccccc1CN1CCCC[C@H]1c1n[nH]cc1-c1cc(C)no1 19120969 VNIDJMGYFLXELU-KRWDZBQOSA-N 352.438 4.109 0 40 FIAB OC1=Nc2n[nH]cc2[C@@H](c2ccccc2OCc2ccccc2)SC1 20731937 XUJYOWCRRAWQPJ-GOSISDBHSA-N 351.431 4.413 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1 22242816 XPXPGIFOMCASEG-AWEZNQCLSA-N 353.853 4.481 0 40 FIAB O=C(Nc1ccnc2ccc(Cl)cc12)c1c[nH]c2ccc(F)cc2c1=O 23118812 TXFHVHLETAHPLQ-UHFFFAOYSA-N 367.767 4.121 0 40 FIAB CC[C@H](CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1 23748380 IYDVDKNDLLDPPI-OAHLLOKOSA-N 370.880 4.390 0 40 FIAB CN(C)c1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 24745915 IFTWGKZSIPTSCE-UHFFFAOYSA-N 365.458 4.063 0 40 FIAB COc1ccc2nc(C(=O)Nc3nc4c(OC)cccc4s3)ccc2c1 24885955 JCCDDKVADZHJBF-UHFFFAOYSA-N 365.414 4.114 0 40 FIAB Cc1ccc(NC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)c(O)c1 25249042 VUYQUHKYZTUIBF-UHFFFAOYSA-N 355.463 4.190 0 40 FIAB O=c1c2ccccc2cnn1CN1CCc2sccc2[C@H]1c1ccccc1 27531858 JHKMDSWKQAFUOL-OAQYLSRUSA-N 373.481 4.063 0 40 FIAB Cc1cc(C)cc(OCC(=O)N(Cc2cccs2)c2ccccn2)c1 27662653 MUNNAANCQRVDAV-UHFFFAOYSA-N 352.459 4.372 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCCCCC2)cc1 27989301 MPFBFMYFANYXDX-NRFANRHFSA-N 354.469 4.481 0 40 FIAB Cc1nc2ccccc2nc1SCC(=O)N(Cc1ccccc1)C(C)C 28190959 CCCMIMIJFAKPBP-UHFFFAOYSA-N 365.502 4.468 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccn(Cc3ccccc3)n2)ccc1Cl 28247219 YZBOODJVDMAEBJ-HNNXBMFYSA-N 369.852 4.299 0 40 FIAB Cc1c([C@H](C)NC(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 29327949 GKDSPSSYZGSAOP-GJZGRUSLSA-N 366.440 4.441 0 40 FIAB CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 32755186 ZMFUONIDMJOUJW-CYBMUJFWSA-N 358.415 4.074 0 40 FIAB CCCC(=O)Nc1cccc(CNCc2cc(Cl)c3c(c2)OCCO3)c1 40120104 PVPUXCBKDWZMPW-UHFFFAOYSA-N 374.868 4.140 0 40 FIAB Cc1ccc(C)n1-c1nc(CC(=O)N[C@@H](C)c2cccc(F)c2)cs1 40130437 WXVKRQOJWFEZDP-AWEZNQCLSA-N 357.454 4.110 0 40 FIAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)c3nccs3)c12 40133655 YDAIIVXFSZBCEM-UHFFFAOYSA-N 369.494 4.105 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 40141018 QTSOUCSUXUTFLJ-UHFFFAOYSA-N 370.497 4.154 0 40 FIAB CN(C(=O)CCc1nnc(-c2ccsc2)o1)[C@H]1CCCc2ccccc21 43112034 LGBUYRVKYPEBIX-KRWDZBQOSA-N 367.474 4.267 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)N[C@H](C)c2cnn(C)c2C)cc1 47007089 HCPJRTLQQLPULO-QRWLVFNGSA-N 370.497 4.125 0 40 FIAB COc1ccc(C)cc1[C@@H](C)Nc1ccc2nnc(-c3ccccc3)n2n1 53552926 BTPSVBZYAMENQT-OAHLLOKOSA-N 359.433 4.281 0 40 FIAB CS(=O)(=O)NCCc1ccc(-c2csc(C3CCCCC3)n2)s1 55049691 HVLYJYPJFZISDK-UHFFFAOYSA-N 370.565 4.011 0 40 FIAB Cc1ccc(-c2noc(-c3cccn3CC(=O)N(C)c3ccccc3)n2)cc1 57486798 XASZNOMQLGAYSU-UHFFFAOYSA-N 372.428 4.177 0 40 FIAB CCN(CC)c1ccc(NC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)cn1 58031217 YTLBGFRGWOSGSB-HXUWFJFHSA-N 368.481 4.209 0 40 FIAB Cc1cccc(C2(CNC(=O)Cc3cn4ccsc4n3)CCCCC2)c1 58381038 ZYDHATURVSOCQI-UHFFFAOYSA-N 367.518 4.265 0 40 FIAB CCn1c2ccccc2c2cc(/C=C/C(=O)Nc3ccc(=O)n(C)c3)ccc21 65656071 IRZUZAYWVKYIAT-FMIVXFBMSA-N 371.440 4.165 0 40 FIAB Cc1cnc([C@H](NC(=O)COc2ccc(Cl)c(C)c2)C2CC2)s1 72296836 WKOXLCWGBSQEEB-MRXNPFEDSA-N 350.871 4.060 0 40 FIAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)c3cccnc3)n2)cc1 72357792 XZGFCEIILGLMRN-QFIPXVFZSA-N 357.457 4.353 0 40 FIAB C[C@](O)(CNC(=O)NCCc1ccccc1)c1ccc(-c2ccccc2)cc1 75155405 WFRLHSNJTSKSDU-DEOSSOPVSA-N 374.484 4.103 0 40 FIAB Cc1nc(C)c(-c2nnc(SCc3ccn(-c4ccccc4)n3)o2)s1 84062533 GUPBASOAPHXEGN-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB O=C(Nc1scnc1-c1ccccc1)[C@@H]1COc2ccc(F)cc2C1 90525995 MLASVSPZJUBNDM-AWEZNQCLSA-N 354.406 4.139 0 40 FIAB CCCN(C(=O)COc1cccc(Oc2ccccn2)c1)c1cccnc1 95964149 PZBFPAASTBCMKE-UHFFFAOYSA-N 363.417 4.091 0 40 FIAB O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc2c(s1)CCOC2 95994013 SJUNJKXHJSDKPS-MRXNPFEDSA-N 369.408 4.114 0 40 FIAB CC(=O)c1cccc(O[C@H](C)C(=O)NC2(Cc3ccccc3)CCCC2)c1 96013969 PXDVTZMNPBPNGV-GOSISDBHSA-N 365.473 4.328 0 40 FIAB O=C(O)C/C(=C\c1cccc2c1OCCCO2)c1nc2ccccc2s1 96401784 DLMMKYFTTDAUJP-SDNWHVSQSA-N 367.426 4.473 0 40 FIAB CCCCCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21 100498430 NCLRHYSQFMBIAO-UHFFFAOYSA-N 364.445 4.458 0 40 FIAB CSc1nc2n(n1)[C@H](c1cccc(O)c1)C1=C(O)CC(C)(C)CC1=N2 102679715 JFHZRJRCGHNABM-OAHLLOKOSA-N 356.451 4.013 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 150071945 TWMAELSPAKPLSD-UHFFFAOYSA-N 369.461 4.089 0 40 FIAB Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc(-n3cnnc3)cc2)c1C 173517223 VMSURTFBVJARBK-NRFANRHFSA-N 360.461 4.252 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219318532 VSAGXPFFBCBHCT-MOPGFXCFSA-N 371.477 4.437 0 40 FIAB Cc1ccc(N2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 219861568 MFCNBSQWGCRTQT-UHFFFAOYSA-N 350.506 4.269 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 222821972 RHUOCUZJJXBPSY-QZTJIDSGSA-N 367.489 4.225 0 40 FIAB Cc1ccc(CSCC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224119097 HAIKZSUKJAREID-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Cc1ccc(OCCNC(=O)COc2cccc3c2CCCC3)cc1Cl 224186163 XJSJLEWPUZVCSG-UHFFFAOYSA-N 373.880 4.101 0 40 FIAB CCc1ccc(OCC(=O)NCC2=CCCCC2)c(Br)c1 224247219 AEFBIPNXLLNKDK-UHFFFAOYSA-N 352.272 4.007 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225453916 OFLDMKVEOKGHNJ-NQIIRXRSSA-N 372.553 4.104 0 40 FIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225650459 DOWNRSPLJKBICN-LAUBAEHRSA-N 362.514 4.084 0 40 FIAB CCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCC1 225709032 QFDYWDNFPCATEA-UHFFFAOYSA-N 374.525 4.229 0 40 FIAB COc1ccccc1NC(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 225770799 KXRMMGJRFXJZHR-UHFFFAOYSA-N 372.812 4.063 0 40 FIAB Fc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1 225818864 NWDKQKXJCLOICN-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)cs1 226097453 PRWLMFPZPBXXLG-UHFFFAOYSA-N 357.410 4.252 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)c1C 226243130 XBEJRKLDIACKKO-UHFFFAOYSA-N 364.239 4.097 0 40 FIAB CCCCOc1cccc(C(=O)Nc2ccc(N)cc2Br)c1 227157135 KQVDNHLEBCMGLQ-UHFFFAOYSA-N 363.255 4.463 0 40 FIAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 243359067 LZGWEJRTRZYPTG-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB O=C(CC1CCOCC1)N1CCC[C@H](Cc2cncc3ccccc23)CC1 257284826 PEMKCSFEXUJGTL-SFHVURJKSA-N 366.505 4.223 0 40 FIAB OCC[C@H](NCc1ccc(Oc2cnccn2)cc1)c1ccc(Cl)cc1 515013928 OPQMTTYOYGWBDK-IBGZPJMESA-N 369.852 4.136 0 40 FIAB O=C(O)c1oc2ccccc2c1CN1CCC[C@H]1Cc1ccc(F)cc1 570575442 SPWSLXNDTUPLLL-INIZCTEOSA-N 353.393 4.477 0 40 FIAB COc1ccc([C@@H](N[C@H]2CCCn3ccnc32)c2ccccc2OC)cc1 655736720 HAVHEBXYNVIEMD-PZJWPPBQSA-N 363.461 4.114 0 40 FIAB CC1(C)C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 694888552 OUDJCOWHKHEGGK-IBGZPJMESA-N 365.429 4.121 0 40 FIAB Clc1cnccc1OCC1CCN(c2ncnc3ccsc23)CC1 1889149417 WJKAVHLZUVOSTL-UHFFFAOYSA-N 360.870 4.035 0 40 FIAB CCOC(=O)c1nn(-c2cccc(C)c2)cc1C(=O)c1ccc(Cl)cc1 708428 YRAOEEVSQTYJAQ-UHFFFAOYSA-N 368.820 4.242 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1OC 872099 VEEAWDUIBPYJSV-NRFANRHFSA-N 360.413 4.475 0 40 FIAB biogenic Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C 1225063 AMEBRMNGWJWCHV-CYBMUJFWSA-N 372.519 4.280 0 40 FIAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccc2c(c1)CCC2 1340874 GJGXMMPDELXJFY-UHFFFAOYSA-N 357.457 4.286 0 40 FIAB CCCCCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 1781086 OXUKFHMGPOOTTK-UHFFFAOYSA-N 355.434 4.360 0 40 FIAB O=S(=O)(Nc1nc2ccccc2s1)c1cc(Cl)ccc1Cl 2363478 DYUIWSCVMYBRRT-UHFFFAOYSA-N 359.259 4.404 0 40 FIAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1nccs1)C3=O 2417735 JENKCIPLUUUHON-KRWDZBQOSA-N 374.421 4.308 0 40 FIAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)cc1 2705477 FMKBMKIRSZSCAV-LJQANCHMSA-N 372.380 4.148 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)cc1 2713232 VTEIKZQHZVWWBH-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB S=C(NCCc1ccccc1)Nc1ccc(CN2CCCCC2)cc1 2781502 YXKNTCAIRBTUSI-UHFFFAOYSA-N 353.535 4.202 0 40 FIAB COc1ccc(S(=O)(=O)Oc2ccc(-c3ccccc3)c(F)c2)cc1 4050245 RITBUIIBHQPTHI-UHFFFAOYSA-N 358.390 4.269 0 40 FIAB CCOc1cc(-c2nc3cnccn3c2NCCc2ccccc2)ccc1O 4906170 WQZVBYXIHRMXMR-UHFFFAOYSA-N 374.444 4.155 0 40 FIAB Cc1ccc2c(c1)[C@@]1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2C 5453792 QJHMUFMZVLWQHG-QHCPKHFHSA-N 366.424 4.115 0 40 FIAB Cc1cc(OCC(=O)Nc2nc3ccc(F)cc3s2)ccc1Cl 5734952 ZGCHBGUMCROZOK-UHFFFAOYSA-N 350.802 4.415 0 40 FIAB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Br)c1 6224755 QKTCEALIXRGBRM-UHFFFAOYSA-N 366.083 4.397 0 40 FIAB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C1=O 6558143 XISJTAPPMMNYKY-UHFFFAOYSA-N 370.836 4.297 0 40 FIAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccccc1Cl 6615578 JHLILIMABYWFRB-UHFFFAOYSA-N 359.882 4.067 0 40 FIAB CN(C)CCCN(C(=O)C1CCCCC1)c1nc2ccc(F)cc2s1 6931577 XNSVDPZLFLRJKD-UHFFFAOYSA-N 363.502 4.300 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)cc1C 6946853 AGLAAVVXKCAYBT-UHFFFAOYSA-N 370.430 4.449 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 7003089 YJAYNELEXGSPRJ-MRXNPFEDSA-N 353.466 4.125 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)c1cc(C2CC2)nn1-c1ccccc1 7268983 CTNREDFBNJDQJZ-SFHVURJKSA-N 359.429 4.003 0 40 FIAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 7546223 UWIONZDQQKLGDV-ZBUBOIOXSA-N 352.522 4.201 0 40 FIAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc2c(c1)OCCO2 7706043 CUCABNXPZWTYJS-UHFFFAOYSA-N 371.389 4.077 0 40 FIAB CCCc1sc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1CC 8014646 QQIXVBSYFOTAFA-NSHDSACASA-N 358.463 4.235 0 40 FIAB O=C(CCc1ccccc1F)Nc1ccc(I)cc1 8268581 DTCSETNYLFENFT-UHFFFAOYSA-N 369.177 4.002 0 40 FIAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 8316272 ISROPQFRDWUXPS-KRXBUXKQSA-N 368.742 4.110 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3F)C(C)C)cc2c1 8575427 SFFAKQOMRJDJMS-UHFFFAOYSA-N 352.409 4.026 0 40 FIAB COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3sccn23)cc1 8720195 LBSVBYUWNTYDPY-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCCCc1ccccc1 8727827 ZGDPVKBGMNRQJK-UHFFFAOYSA-N 368.458 4.264 0 40 FIAB O=C(Nc1c(-c2ccc(F)cc2)nc2ncccn12)c1ccc(Cl)cc1 8766629 YAFLFVCKIDLTQX-UHFFFAOYSA-N 366.783 4.441 0 40 FIAB C[C@H](Sc1nc2sccc2c(=O)n1C)C(=O)c1cccc(Cl)c1 8941514 BJDABPUEDQJTSJ-VIFPVBQESA-N 364.879 4.012 0 40 FIAB Cc1nc2c(=O)n(Cc3ccc(F)cc3)nc(-c3ccccc3)c2s1 8955032 ZWIOFSWAYIHWEE-UHFFFAOYSA-N 351.406 4.016 0 40 FIAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1OC 8983028 HLHPDFHXSXNXMM-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB Cc1ccccc1CN(C)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 9791804 XLXPFVWEGRASHH-NRFANRHFSA-N 368.477 4.305 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2OC[C@H]2CCCO2)c1 10156049 BRDBQQQWVMSBJB-ZWKOTPCHSA-N 369.461 4.267 0 40 FIAB Cc1cc(NC(=O)CNc2cc(F)ccc2F)ccc1Br 11621841 URZBNMOGGSJIFF-UHFFFAOYSA-N 355.182 4.086 0 40 FIAB CCOCCCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 12147998 NBWJWBPOJUKUDV-UHFFFAOYSA-N 367.371 4.000 0 40 FIAB COc1ccc2c(C)c(CCC(=O)Nc3cc(C)cc(C)c3)c(=O)oc2c1 12607393 FLGSWRYDSRTHNW-UHFFFAOYSA-N 365.429 4.298 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Br)o1 12651425 RYEXUECVRZUTJG-UHFFFAOYSA-N 367.218 4.424 0 40 FIAB Cc1nc2ccccc2nc1COC(=O)[C@@H](C)Oc1ccc(Cl)cc1 12811569 YITIAQSDJLPERV-CYBMUJFWSA-N 356.809 4.102 0 40 FIAB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc2c(c1)OCO2 12856660 CDNYXBAVRXLALQ-UHFFFAOYSA-N 374.352 4.181 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(C)c2)cc1 12903795 DVSYQZJVIQSFCF-UHFFFAOYSA-N 352.463 4.253 0 40 FIAB O=C(NC1CC1)c1ccc(NC(=O)c2ccccc2SC(F)F)cc1 12915121 SPPKXRGHGPBYGT-UHFFFAOYSA-N 362.401 4.146 0 40 FIAB O=C(CCC(=O)c1ccc(Br)cc1)N[C@H]1CCc2ccccc21 12920331 IVTOVBLSCLCKAJ-KRWDZBQOSA-N 372.262 4.216 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)Nc1cccc(Cl)c1)N1CCCC1 12987138 BVCHYSLNLLELDP-GOSISDBHSA-N 373.884 4.307 0 40 FIAB CC(=O)Nc1cccc(C(=O)N2CCC(CCc3ccccc3)CC2)c1 12998728 CWIIHSMKDOBXKR-UHFFFAOYSA-N 350.462 4.130 0 40 FIAB Cc1ccc(CNC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 13019846 BUYQTNUEPZUMAQ-OAQYLSRUSA-N 368.477 4.353 0 40 FIAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccccc3)cc12 13564690 UVQBCYQVMPWHMT-UHFFFAOYSA-N 364.836 4.288 0 40 FIAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 13646203 JVDIKLADFCALHB-HNNXBMFYSA-N 355.478 4.421 0 40 FIAB CN1C(=O)CN=C(c2c(Cl)cccc2Cl)c2cc(Cl)ccc21 13651909 OTQXKRRISJPTFS-UHFFFAOYSA-N 353.636 4.461 0 40 FIAB CC(C)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 14075383 BZDOHRYCQXSWKI-LFIBNONCSA-N 360.413 4.162 0 40 FIAB Cc1cc(C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)c2cnn(C(C)C)c2n1 14251523 ITGMHPVGRXGJFQ-GFCCVEGCSA-N 368.403 4.124 0 40 FIAB O=C(Nc1ccc(F)cc1F)N(Cc1cccs1)C[C@@H]1CCCO1 18182458 ATZNOOIVQKETFE-ZDUSSCGKSA-N 352.406 4.239 0 40 FIAB COc1ccc2oc(C(=O)O[C@@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)c(C)c2c1 18190173 KGMRGTIYOBTQRE-GUTXKFCHSA-N 373.449 4.085 0 40 FIAB Cc1cccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2)c1 19234729 HFBFASDKQXDGQV-HXUWFJFHSA-N 360.461 4.076 0 40 FIAB CC(=O)N1Cc2ccccc2OC2(CCC(NCC3=CCCCC3)CC2)C1 19719840 QHCLMSHUJJTPIR-UHFFFAOYSA-N 368.521 4.199 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2ccccc2Cl)cc1C 20899418 RUKYKAUJGWTEHE-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CCn1cc(C(=O)Nc2cccc(SC)c2)c(=O)c2cc(OC)ccc21 22235862 SIJPQCXMUVBBJG-UHFFFAOYSA-N 368.458 4.004 0 40 FIAB COc1ccc(F)cc1-c1csc(CC(=O)Nc2ccccc2C)n1 22504215 QSFBFEZEJFLCAN-UHFFFAOYSA-N 356.422 4.447 0 40 FIAB O=C(Oc1ccc2ccccc2c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 22958830 WQFJEBULOGDWTL-FQEVSTJZSA-N 361.397 4.177 0 40 FIAB O=c1[nH]c(CN2CCc3ccccc3C2)nc2sc(-c3ccccc3)cc12 23881063 ROZCFSSLHMSYLX-UHFFFAOYSA-N 373.481 4.210 0 40 FIAB S=c1oc(-c2sc3ccccc3c2Cl)nn1CN1CCOCC1 25285890 SBBFCKWOEUEITG-UHFFFAOYSA-N 367.883 4.030 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1Cl 29049708 JBNPNYZCSQIAMR-HXUWFJFHSA-N 367.880 4.163 0 40 FIAB CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)cc1 32379684 IDIRNJRFZJXFME-QFIPXVFZSA-N 364.489 4.374 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2c(c1)CCC2 32838759 KYGDVSNIYYGQMX-UHFFFAOYSA-N 372.848 4.412 0 40 FIAB Cc1cc(C(=O)Nc2cccc(F)c2)c2c(C)nn(Cc3ccccc3)c2n1 36617017 WWXPCCVECWWUDY-UHFFFAOYSA-N 374.419 4.488 0 40 FIAB O=C(NCCCc1ccccc1)Nc1ccccc1NC(=O)c1ccco1 38678852 PYQMMJTWQWVKAZ-UHFFFAOYSA-N 363.417 4.286 0 40 FIAB Cc1ncsc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 40139190 XXDIPRNUFJKEGK-QGZVFWFLSA-N 361.470 4.495 0 40 FIAB CCCc1noc2nc(C3CC3)cc(C(=O)N(C3CC3)[C@H](C)C3CC3)c12 48287224 AIZZZZMCPDKHIP-GFCCVEGCSA-N 353.466 4.456 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(O)c(Cl)c2)c1 52842814 XJNHGWGXWXPJSW-INIZCTEOSA-N 361.825 4.040 0 40 FIAB CCC1CCC(N(C(=O)c2sc(-c3ncccn3)nc2C)C2CC2)CC1 55197096 GOKHGPRNKWISNL-UHFFFAOYSA-N 370.522 4.482 0 40 FIAB O=C(Nc1ccccc1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58191273 KMNHRPZAVVGKDH-OAHLLOKOSA-N 366.396 4.287 0 40 FIAB C[C@@H]1CCCN(CCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 58522511 GJQCADJHRFMBOK-CQSZACIVSA-N 357.420 4.339 0 40 FIAB CC(C)[C@H]1CCCN1C(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 60603111 VVPHCLDJSIGVDB-IAGOWNOFSA-N 352.425 4.495 0 40 FIAB COCc1nc2cc(NCc3ccc(OC)cc3OC(C)C)ccc2o1 80342713 JXXKWWPSYYJLFF-UHFFFAOYSA-N 356.422 4.382 0 40 FIAB COc1ccc(-n2cnc3c2[C@H](c2cccc(O)c2)SCC(O)=N3)cc1 95475805 CQNQPFNOPDJDIR-SFHVURJKSA-N 367.430 4.011 0 40 FIAB COc1ccc(-n2cnc3c2[C@H](c2ccsc2)SCC(O)=N3)cc1 95480378 FXZUFMXVUSMTKF-INIZCTEOSA-N 357.460 4.367 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102412039 FASJVYGXHUJIBJ-AJHHTPGJSA-N 371.912 4.039 0 40 FIAB CC(C)(C)n1cc(C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)nn1 190172412 CFPYBXUYLYMWEV-AUECHBEKSA-N 358.511 4.193 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)n1cc(C(=O)OC)c2ccccc21 222619309 FMBZTGRQSRRUEK-AWEZNQCLSA-N 351.402 4.098 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC(C)C 222751086 FTCUVLKNTGJVHZ-OAHLLOKOSA-N 359.297 4.035 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NCCOc2cccc(C)c2C)c1 223966092 UFFQJAVQPHJBBL-UHFFFAOYSA-N 355.478 4.309 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)c1 224319502 MHQMWLZKGLAKJZ-WOJBJXKFSA-N 362.502 4.214 0 40 FIAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 225332969 AOSFBDDFACQWJU-INIZCTEOSA-N 373.324 4.427 0 40 FIAB COc1ccc(-c2nnsc2C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 225763966 PJFPVRRRNBMWDA-NSHDSACASA-N 373.865 4.358 0 40 FIAB COc1cccc(OC)c1CCC(=O)Nc1cccc(Br)c1 225995090 QUWTZVBXLPPVGA-UHFFFAOYSA-N 364.239 4.038 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3CCC[C@@H](C)C3)c(C)cc2N)c1 226331528 UCLDQKAGRBLLCN-CQSZACIVSA-N 353.466 4.074 0 40 FIAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 244032698 STXYJCJGAWESLA-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CN(CC1CCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 257214690 CNBKOSVWJPKWBL-UHFFFAOYSA-N 356.510 4.002 0 40 FIAB Cc1ncoc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257305705 SRCUUHDFSJFNAR-INIZCTEOSA-N 371.824 4.193 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 408679851 LZSYXEQSLAHELP-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB COCCn1c(Cc2ccccc2)nnc1SCc1cccc(Cl)c1 409104234 GSDULWBVLWEZJW-UHFFFAOYSA-N 373.909 4.461 0 40 FIAB CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)c2ccccc21 409111825 CKDBGMBENMCWKN-UVTDQMKNSA-N 358.235 4.365 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 409121555 WQDORJMRPGOABG-HOTGVXAUSA-N 370.518 4.475 0 40 FIAB COc1ccc2nc(C(F)(F)F)nc(N(C)[C@H](C)c3ccccn3)c2c1 585083280 MHSUAJHODAFMHU-LLVKDONJSA-N 362.355 4.250 0 40 FIAB CCn1cc(C(=O)Nc2ccc(F)cc2OC2CCCC2)c(C2CC2)n1 631978262 WCKBWWWDGBCKPI-UHFFFAOYSA-N 357.429 4.493 0 40 FIAB Cc1sc([C@@H](C)N[C@@H](C(=O)O)C2CC2)nc1-c1ccc(Cl)cc1 635017275 STHIKJUHKBBBTK-RFAUZJTJSA-N 350.871 4.286 0 40 FIAB Cc1cc(OCc2ccc(OCC(F)(F)F)nn2)c2c(C)cccc2n1 655679511 FUEXRTHJLPODIO-UHFFFAOYSA-N 363.339 4.162 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc21 1540328255 NGOGCJCYLFLRKT-MRXNPFEDSA-N 356.397 4.303 0 40 FIAB CC(C)CNC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 650803 WNTNMIILOFEKLZ-UHFFFAOYSA-N 369.412 4.027 0 40 FIAB COc1ccc(OCC(=O)Oc2ccc(Br)cc2Cl)cc1 677155 MVVGPEGLMDXDOU-UHFFFAOYSA-N 371.614 4.096 0 40 FIAB COc1ccc([C@@H]2C[C@H](c3cccc4ccccc34)n3nc(N)nc3N2)cc1 803150 FXEYVUGHTJFIQK-VQTJNVASSA-N 371.444 4.168 0 40 FIAB Cc1cc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2c2ccccc12 916533 DKZGBCZWIQJNOX-GJZGRUSLSA-N 368.506 4.073 0 40 FIAB COc1cc(C(=S)N2CCCCC2)cc(Br)c1OC(C)C 938929 BQKBKHUTIHGCIT-UHFFFAOYSA-N 372.328 4.406 0 40 FIAB CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 1505722 FMTYVNUYIOVFGL-LFIBNONCSA-N 372.218 4.192 0 40 FIAB O=C1N/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccccc1 2403391 SGKQSBVPINGKED-LDADJPATSA-N 362.360 4.179 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3s2)c1C 3207315 YOVZNUXGKZBPSP-UHFFFAOYSA-N 374.487 4.393 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CCC1CCCC1 3217117 CFWLATPLEBNIMD-UHFFFAOYSA-N 361.482 4.445 0 40 FIAB O=C(N1CCN=C1SCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 4119920 XSEZBZZWQCITMB-UHFFFAOYSA-N 372.509 4.474 0 40 FIAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 4124273 BHUNQJMULPCDTQ-BDAKNGLRSA-N 370.883 4.355 0 40 FIAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(Cl)s1 4325785 OMBSFWIAHGJYMJ-UHFFFAOYSA-N 352.824 4.035 0 40 FIAB CCC[C@@H]1O[C@@H](c2cc3c(cc2Br)OCO3)OC[C@@H]1CC 4769138 NHIDCHKHWNMAEV-NKFCBESUSA-N 357.244 4.418 0 40 FIAB CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 5249823 LQDKWJYERZJLFT-SERSOLAASA-N 362.473 4.113 0 40 FIAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 5360155 QKHHTCDPLWSKDW-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CC/C(NCc1ccccc1OC)=C1/N=C(c2ccc(Cl)cc2)OC1=O 5464358 HQUIBIZEBYKCIX-VLGSPTGOSA-N 370.836 4.063 0 40 FIAB Cc1ccccc1NC(=O)[C@]1(c2cccs2)CC(=O)N1c1ccccc1 5482879 PVHBQKBZLUDJGX-OAQYLSRUSA-N 362.454 4.327 0 40 FIAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 5710629 GXNGMMIYMJMGFF-OAHLLOKOSA-N 372.490 4.231 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1c(F)cccc1F 6060603 VVGZGMIWJKQCMX-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB Cc1cccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 6430044 HNWDBPYCFLBGDZ-UHFFFAOYSA-N 355.478 4.392 0 40 FIAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(C)c3C)CC2=O)cc1 6880998 HLNGZLGDBMUCTB-KRWDZBQOSA-N 366.461 4.084 0 40 FIAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(F)cc1 7510226 GMNWDJLKVKIWON-UHFFFAOYSA-N 352.152 4.435 0 40 FIAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1Br 7666774 HGGDLYPSUCYHHX-UHFFFAOYSA-N 354.631 4.041 0 40 FIAB CCn1c(NC(=O)c2cccnc2Oc2ccccc2)nc2ccccc21 8136199 OXYIUXVSWJPFLW-UHFFFAOYSA-N 358.401 4.496 0 40 FIAB Cc1ccc(CNC(=O)COc2ccc(C3SCCS3)cc2)cc1 8304681 FLWBRYPFZLEDOB-UHFFFAOYSA-N 359.516 4.169 0 40 FIAB Cc1ccnc(NC(=O)[C@@H](C)SCc2ccc(Br)cc2)c1 8708058 GILDSKQHKDMVGW-GFCCVEGCSA-N 365.296 4.413 0 40 FIAB COCCN1C(=O)C2=C(CCCC2)[C@H]1SCc1ccc(Cl)cc1 8951973 NVNIPZYLEYUOAW-GOSISDBHSA-N 351.899 4.259 0 40 FIAB c1ccc(Nc2nc(CSc3nnnn3C3CCCC3)cs2)cc1 9322265 XHKWNCXEAGLTMJ-UHFFFAOYSA-N 358.496 4.281 0 40 FIAB Nc1nc(CSc2nccn2-c2cccc(Cl)c2)nc2ccccc12 11395103 JERBLBWTWALUBA-UHFFFAOYSA-N 367.865 4.343 0 40 FIAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(F)c(F)c2)no1 11914848 HDCZYACLPZDWET-SNVBAGLBSA-N 362.307 4.165 0 40 FIAB COc1cccc(-c2ocnc2C(=O)N[C@@H](C)CCc2ccccc2)c1 12144664 PHGHRIYSVYDHBA-HNNXBMFYSA-N 350.418 4.101 0 40 FIAB C[C@@H]1C[C@@H](C)CN(Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 12227174 SRXFMZPEYZDFJX-HZPDHXFCSA-N 370.497 4.321 0 40 FIAB COCCn1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc21 12532052 DPPIMWNGECJOQI-UHFFFAOYSA-N 365.458 4.139 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1ccccc1Cl)O[C@@H](C)C2 12865141 ZOOZEWGZNRKVLC-LBPRGKRZSA-N 361.825 4.080 0 40 FIAB Cc1ccccc1CN(C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 12997835 RJKZDRZJIFVADD-UHFFFAOYSA-N 374.488 4.129 0 40 FIAB Cc1cccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 13002176 FNXUKCCVNDVDKZ-INIZCTEOSA-N 366.486 4.390 0 40 FIAB Cc1cccc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 13070900 HLDSAQKHPPGEJL-CMDGGOBGSA-N 374.406 4.376 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Br)n[nH]2)cc1 14206033 YFXVRNBPOKNYMW-UHFFFAOYSA-N 356.223 4.400 0 40 FIAB Cc1cccc(OCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 14673410 ZKOTWXPDVCTGDH-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 14707403 UJTSLYSISSZMGH-UHFFFAOYSA-N 373.384 4.299 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C)cc1 14796230 HSWVOVVIGZWWCU-OXJNMPFZSA-N 368.477 4.319 0 40 FIAB Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3 15842063 JTVUIFHLWYNFAZ-UHFFFAOYSA-N 366.486 4.418 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)cc1 16086548 KEXSWOAHBPPDKH-SNVBAGLBSA-N 374.687 4.142 0 40 FIAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(Nc3ccc(F)cc3)ncc21 17208746 SSORGQIPNXHYPQ-ZDUSSCGKSA-N 351.356 4.411 0 40 FIAB CCCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)OCO2 19503858 ZPLJRUOXNWSVIA-MAUKXSAKSA-N 372.465 4.002 0 40 FIAB COc1ccccc1[C@H]1CC(=O)c2c(C)nc(Nc3ccccc3)nc2C1 20102228 UAVHBTAJLJSIPE-OAHLLOKOSA-N 359.429 4.450 0 40 FIAB Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)cc(C(=O)O)c1O 20138993 UXDCJVLPQPZNKI-UHFFFAOYSA-N 355.777 4.458 0 40 FIAB C[C@@H](NCCN(C)C)[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C 22586833 OQLPSYJNZRYLOQ-JBAFFBOFSA-N 370.581 4.404 0 40 FIAB in-vitro CC(C)N(CCNC(=O)c1ccc(C2SCCCS2)cc1)C(C)C 22623220 FLWJYCVURDZNPK-UHFFFAOYSA-N 366.596 4.404 0 40 FIAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCc2cccc(F)c21 22843641 GYSMHWBXJMCKPG-UHFFFAOYSA-N 360.237 4.274 0 40 FIAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)c1 25107213 KJOIYJJGIQZJSC-UHFFFAOYSA-N 372.787 4.080 0 40 FIAB C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1OC(F)F 25300613 YGDJWVYYORYBJH-VIFPVBQESA-N 360.282 4.193 0 40 FIAB O=C(CSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 27021377 NGAIJRNSDOTAGK-UHFFFAOYSA-N 374.937 4.344 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C(C)C)cc2)c(C)c1 28910148 FJGVPGAETHHKHG-INIZCTEOSA-N 353.466 4.337 0 40 FIAB Cc1cccc(CN2CCC(NC(=O)[C@@H]3CCCc4ccccc43)CC2)c1 32936026 ITLPQNWPEUVVCT-HSZRJFAPSA-N 362.517 4.196 0 40 FIAB CC(C)(C)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 36182134 IGPSYHMBLPTQQL-UHFFFAOYSA-N 351.475 4.329 0 40 FIAB CCCCCCNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 36333136 CPFHFDRCVKHLBS-UHFFFAOYSA-N 372.490 4.314 0 40 FIAB Cc1noc2nc(C(C)C)cc(C(=O)NCCc3c[nH]c4ccccc34)c12 36370010 ZOMVHYMSDGBUIQ-UHFFFAOYSA-N 362.433 4.108 0 40 FIAB biogenic O=C(NCc1cccs1)NCc1cccnc1Oc1cccc(F)c1 40119886 YHSHJFVOWXVFKL-UHFFFAOYSA-N 357.410 4.074 0 40 FIAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(-c2ccccc2)cc1 40128291 ARQBILGZANMZCW-UHFFFAOYSA-N 357.475 4.040 0 40 FIAB CC(C)C[C@@H](NC(=O)CCc1nc(-c2ccncc2)no1)c1cccs1 40157319 HGVFFWHHNVKMDY-OAHLLOKOSA-N 370.478 4.029 0 40 FIAB Cc1ncc(NC(=O)C2CC2)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124332 PNQLVPZZANGZNR-UHFFFAOYSA-N 358.854 4.306 0 40 FIAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078842 WSBAETLWXVUBQR-AWEZNQCLSA-N 370.880 4.461 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1cccnc1OC(C)C 48303389 RFUHBBSLQSHXQW-UHFFFAOYSA-N 369.852 4.309 0 40 FIAB Cn1nc(-c2ccccc2)c(CN2CCN(c3ccccc3)CC2)c1Cl 52530321 VMFDMBWFCGKZIL-UHFFFAOYSA-N 366.896 4.063 0 40 FIAB C[C@@H]1CCCN(CCCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)C1 58423963 SMIKOISPGCBGMT-CYBMUJFWSA-N 365.930 4.248 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 59227304 HHBWGIOYSSAILJ-CYBMUJFWSA-N 362.351 4.005 0 40 FIAB O=C(NCCCN1CCCCCC1)c1cc(Br)ccc1Cl 69249036 JSCPUUHKKOAUCS-UHFFFAOYSA-N 373.722 4.098 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NC(=O)N(C)[C@@H](C)c2ccc(C)s2)c1 71819681 MNEWWYYVERYNKW-KBPBESRZSA-N 359.495 4.479 0 40 FIAB CC(=O)N1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 72214552 WVIISZHGVCVGBD-QGZVFWFLSA-N 361.486 4.163 0 40 FIAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccccc3C)[nH]n2)cc1 72331578 PKYODRCHPRNABU-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1cc(F)c(F)c(F)c1 72405960 VEPUDOJGEDQBDI-UHFFFAOYSA-N 365.742 4.410 0 40 FIAB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2o1 79105429 ADLLDGAHWRNJLM-ZDUSSCGKSA-N 357.841 4.249 0 40 FIAB CC1=Nc2c(cnn2-c2ccccc2Cl)[C@H](c2ccc[nH]c2=O)S1 79483118 DZGAZVGGUHQSMA-HNNXBMFYSA-N 356.838 4.100 0 40 FIAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N1CCC[C@@H]1C1CCCCC1 84403113 CWXUZNROWUWJOL-HXUWFJFHSA-N 352.482 4.331 0 40 FIAB CCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc2cccc(C)c2nc1Cl 84779875 HXIIWSJZDOSEIH-SFHVURJKSA-N 357.885 4.350 0 40 FIAB O=C(NCc1cccnc1)Nc1sc(C2CC2)nc1-c1ccccc1 89851073 CEWVFXHAAOMKGK-UHFFFAOYSA-N 350.447 4.404 0 40 FIAB COc1ccc2c(c1)c(C(=O)Nc1cccc(NC(C)=O)c1)cn2C(C)C 95477393 WERGKIVUWJEBOX-UHFFFAOYSA-N 365.433 4.442 0 40 FIAB COc1ccc(C(=O)N(CCc2cccs2)Cc2ccoc2)cc1F 96120670 RBLNNIZODQCBFY-UHFFFAOYSA-N 359.422 4.374 0 40 FIAB CC(C)Cn1c(CCNC(=O)CCCc2ccccc2)nc2ccccc21 96231800 HYFSBOYFLZRNPY-UHFFFAOYSA-N 363.505 4.374 0 40 FIAB CCOc1ccccc1/C=C1/CCn2c1nc1cc(Cl)ccc1c2=O 96759077 YBIDKEGPHNGLQO-KAMYIIQDSA-N 352.821 4.393 0 40 FIAB CCN(C(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)c1cccc2ccccc12 100868503 VRTSUUDOEBKXND-FGZHOGPDSA-N 351.446 4.315 0 40 FIAB C[C@@H]1CN(Cc2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc2)CCO1 105572876 UFPGYGYRNCAPTQ-HZPDHXFCSA-N 372.896 4.052 0 40 FIAB Cc1ncccc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 108278975 KNVWWXYHVKAXKO-INIZCTEOSA-N 369.223 4.050 0 40 FIAB COCCN(Cc1ccsc1)C(=O)CCc1ccc(C(F)(F)F)cc1 207975088 MTBQNBZIIKYHIH-UHFFFAOYSA-N 371.424 4.375 0 40 FIAB CCOc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 219957765 MFDPBGHMGLNMEE-GOSISDBHSA-N 355.434 4.126 0 40 FIAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(F)c(Cl)c4)cn1c23 223095621 KCPYDPBIKYEVAW-SNVBAGLBSA-N 356.784 4.163 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)c(C)c1 223556296 IYWCXTPBSLXNKP-GOSISDBHSA-N 363.457 4.419 0 40 FIAB C[C@H](CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 224536513 MGCYNLPGSPQDGA-QGZVFWFLSA-N 370.924 4.472 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(N2CCCCC2)cc1 224969229 HIWZNTUHWJHNRP-IBGZPJMESA-N 368.477 4.482 0 40 FIAB CCc1cccc(C)c1NC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225733477 ODHWTBHUPDCQLE-UHFFFAOYSA-N 354.837 4.164 0 40 FIAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCCC1 226330591 DQEFYDYDLXVJLO-UHFFFAOYSA-N 374.282 4.192 0 40 FIAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4Cl)OCC[C@@]31C2 257334463 YFZLGMVCPJTCKW-VLRUMRAESA-N 365.876 4.498 0 40 FIAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1 260753024 AVYQVMSOMAIFIC-KFKAGJAMSA-N 353.491 4.460 0 40 FIAB Cc1[nH]c2ccccc2c1/C=C1\S[C](Nc2ccccc2F)NC1=O 408804621 YYUNGHIDHRMDCY-UHFFFAOYSA-N 352.414 4.378 0 40 FIAB O=C(CNC(=O)Oc1ccccc1)Nc1ccc2c(c1)oc1ccccc12 409000859 ZHEKPILBRXAPBL-UHFFFAOYSA-N 360.369 4.313 0 40 FIAB COC(=O)c1cc2cc(Br)ccc2c(Br)c1OC 1043116 HOLPDXPBBBQZLM-UHFFFAOYSA-N 374.028 4.160 0 40 FIAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2cccc(F)c2)o1 1274888 OKUQWLKMBIPTPJ-INIZCTEOSA-N 368.437 4.225 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1F)c1ccco1 1405424 NPZHOZCSYRGTCP-IBGZPJMESA-N 366.392 4.145 0 40 FIAB OC[C@H](O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1732715 VEPQCBJMHQPVLE-VKHMYHEASA-N 356.485 4.399 0 40 FIAB Brc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2)cc1 2445256 ZFNYXNCBMAMTOX-HOTGVXAUSA-N 355.239 4.187 0 40 FIAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Cl)cc1Cl 3598884 DBHXRMPYLVULOO-UHFFFAOYSA-N 364.184 4.117 0 40 FIAB C[C@]12c3ccccc3[C@](C)(c3ccc4ccccc4c31)[C@@H](C(=O)O)[C@H]2C(=O)O 4803665 HVVHKPSSUDYJIU-JDBUVZGPSA-N 372.420 4.180 0 40 FIAB CC[C@@H](C)COC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12 5047377 LJXNPEMLKHDBSR-CYBMUJFWSA-N 354.454 4.026 0 40 FIAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1 5382019 RAGUKALLFVJDAU-CQSZACIVSA-N 368.408 4.200 0 40 FIAB Cc1cccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCC2)c1 5483750 LIAHQNMMHSRXBF-ZXYASIKESA-N 374.484 4.243 0 40 FIAB CC[C@@H](C(=O)O[C@H](C)c1nc2sc(C)c(C)c2c(=O)[nH]1)c1ccccc1 5640844 JGLLORJGMMGZKF-IUODEOHRSA-N 370.474 4.399 0 40 FIAB Cc1cc(C)n2c(SCc3cnc(-c4ccccc4)s3)nnc2n1 5937384 LJZGJSKABUEFKZ-UHFFFAOYSA-N 353.476 4.157 0 40 FIAB O=C(/C=C/c1ccco1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 6012173 IYJZIJFMCXWPRO-DRUFCSCSSA-N 365.360 4.355 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccccc2)c1 7573724 UNZNEWALXXXJHB-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB Cc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1 7602730 IWVQNEYOKZPUDZ-UHFFFAOYSA-N 360.870 4.225 0 40 FIAB COc1ccc([C@@H](NCc2cn3c(C)cc(C)nc3n2)c2ccccc2)cc1 7985195 XHQSOLGFOPZQED-QFIPXVFZSA-N 372.472 4.234 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCc1c(C)nc(SC)nc1C 8060626 DKXWFUSZZCSCTP-UHFFFAOYSA-N 365.886 4.049 0 40 FIAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCCC1 8186531 COKMCUQUFCTJQB-BUHFOSPRSA-N 357.457 4.234 0 40 FIAB CC(C)(C)CC(C)(C)NC[C@H](O)COCC12CC3CC(CC(C3)C1)C2 10383835 RXGWSHFUJMFZPS-ONUXSRJRSA-N 351.575 4.385 0 40 FIAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 11613716 QULMCBZEBHZKFV-UHFFFAOYSA-N 353.871 4.465 0 40 FIAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)cc1 11636868 FGPUDGIIHGWZAI-MRXNPFEDSA-N 364.239 4.254 0 40 FIAB Cc1sc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)N1CCCC1 11865739 NNBLJLBKPFNALL-UHFFFAOYSA-N 356.369 4.253 0 40 FIAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)CC(C)C)n2)c1 12442086 PCANCRPDRYNZFD-UHFFFAOYSA-N 370.478 4.297 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@@H]1C 12820662 HQXICNVTSHQVAP-LBPRGKRZSA-N 364.898 4.276 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc(NC(=O)C3CC3)cc2)o1 12824354 UJYKJECOJDXLHZ-HYGXSDHVSA-N 364.445 4.081 0 40 FIAB Cc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)C[C@H]2C)c1 13811116 DEDOCLGRRSQFCV-GOSISDBHSA-N 361.489 4.178 0 40 FIAB CCn1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc21 14009959 NTOZWADUSZUBHW-UNOMPAQXSA-N 359.429 4.063 0 40 FIAB Cc1noc(C)c1CCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 14019934 COUTXYFKBNYAMI-HNNXBMFYSA-N 350.871 4.231 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C(C)C)c(C)c1 14219443 KDXUVYQZTLFHSB-UHFFFAOYSA-N 370.449 4.103 0 40 FIAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(NCc3ccco3)n2)cc1 14229364 BSNOXBWNXZXVPT-CQSZACIVSA-N 369.490 4.472 0 40 FIAB COC(=O)c1cccc(Oc2nc3c(Cl)c(C)nn3c3ccccc23)c1 14247140 OYATUGPMTHPMMC-UHFFFAOYSA-N 367.792 4.423 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCCC[C@H]2C)cc1 15796886 KPQORZDJBNDBSG-VLIAUNLRSA-N 356.466 4.108 0 40 FIAB Oc1nc(SCc2ccc(F)cc2)nnc1Cc1ccc(Cl)cc1 16777204 BVWGAYFOYUNTGS-UHFFFAOYSA-N 361.829 4.253 0 40 FIAB COc1ccc(Cl)cc1Nc1nn2c(=O)c3cc(C)ccc3nc2s1 17121793 XLWHCEQRBXRSJY-UHFFFAOYSA-N 372.837 4.018 0 40 FIAB COc1ccc(OC)c(NC(=O)c2csc(-c3ccc(F)cc3)n2)c1 26766695 BLCOOJSZVDTNIY-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 27984963 BIDLMSBVGWBSNI-UHFFFAOYSA-N 370.840 4.068 0 40 FIAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccccc1Cc1ccccc1 30296593 YPNRCOITHZMYKC-UHFFFAOYSA-N 371.484 4.203 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)c(F)c2)c1 36358508 MDEWCQABBNHKLS-AWEZNQCLSA-N 355.344 4.283 0 40 FIAB C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)c1ccc(-n2ccnc2)cc1 36397898 LALBPFMSGHAVHS-OAHLLOKOSA-N 368.868 4.428 0 40 FIAB O=C(CSC1=N[C@@H]2CCCC[C@@H]2O1)N1c2ccccc2[C@@H]2CCCC[C@@H]21 37613812 CVBUAWPIJKKUHS-NBMJBFSESA-N 370.518 4.490 0 40 FIAB COc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC2(C)C)cc1 45932807 UTFPMJHPBOHOQJ-UHFFFAOYSA-N 372.877 4.357 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1ccncc1 47851389 JZCMMYLZKNYIPK-UHFFFAOYSA-N 359.788 4.110 0 40 FIAB COc1cc(CN(C)CC(=O)c2c[nH]c3ccccc23)ccc1OC(F)F 52961432 OERXFSRZHPPURL-UHFFFAOYSA-N 374.387 4.093 0 40 FIAB Cc1cccc(C2(C(=O)NCc3cccnc3-n3ccnc3)CCCCC2)c1 56654380 CZCZELMNYJSCPX-UHFFFAOYSA-N 374.488 4.094 0 40 FIAB COc1ccc(CN(C)[C@H](C)c2nc(N)c3c(C)c(C)sc3n2)cc1 57403174 MNZPFMRHWSGHAV-GFCCVEGCSA-N 356.495 4.092 0 40 FIAB CCCc1sc(C(=O)NCc2nc(C)c3ccccc3n2)cc1CC 58325052 KVMBFUUUHZYEEQ-UHFFFAOYSA-N 353.491 4.445 0 40 FIAB O=C(Nc1nc(-c2ccco2)cs1)c1csc(Nc2cccnc2)n1 62022574 HDDKTUCCDUUYOG-UHFFFAOYSA-N 369.431 4.251 0 40 FIAB COc1ccc2oc(-c3ccc(CNC(=O)c4cccs4)cc3)nc2c1 72193716 GIZOGSBYNVZTMM-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB Cc1cc(Br)c(S(=O)(=O)Nc2ccccc2C)cc1C 72414150 NVRDYSBTQKQMDG-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB Cn1cc(CCCC(=O)N2CCO[C@@H](c3ccccc3)C2)c2ccccc21 79476932 PDSAYYAGFXKKOK-JOCHJYFZSA-N 362.473 4.101 0 40 FIAB CC(C)Cc1nc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)cs1 84713547 LGJORDVBTVNMIU-HUUCEWRRSA-N 373.522 4.208 0 40 FIAB CCCOC(=O)c1ccc2[nH]c(-c3ccc(OCC)c(OC)c3)nc2c1 85398369 JOUMEPRVOGGAPO-UHFFFAOYSA-N 354.406 4.204 0 40 FIAB C[C@H]1CC(=O)CC[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 95943502 HXVIOPYTQXPYCV-HNAYVOBHSA-N 353.466 4.195 0 40 FIAB COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)/C2=C/Nc1ccccc1 100337153 LYPNQLKHGCBTGY-RCCKNPSSSA-N 370.408 4.335 0 40 FIAB Cc1cc2nc(-c3ccccc3)cc(C(=O)N3CCC(O)CC3)c2cc1C 103068424 DMWNKIWDSRLPOD-UHFFFAOYSA-N 360.457 4.116 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(-n2ccnc2)cc1 216231396 LWAXOWCYTBOPCW-QGZVFWFLSA-N 363.461 4.079 0 40 FIAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C)cc1C 222755024 CELJXBHEEAHDKN-UXHICEINSA-N 362.502 4.091 0 40 FIAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)c1ccccc1 222933342 ZXCJUYAUKIPIAL-NRFANRHFSA-N 368.521 4.394 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(OC)ccc1OC 223007792 AUIYHWDXPIEUQK-KRWDZBQOSA-N 363.841 4.462 0 40 FIAB CCc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 223889590 IRZAOJPYDBERBH-UHFFFAOYSA-N 369.852 4.154 0 40 FIAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224251762 WKGPQYKMAIAADF-PMACEKPBSA-N 362.502 4.389 0 40 FIAB COc1ccc(OC)c(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c1 225114858 KKKFNFNENWBNCA-LJQANCHMSA-N 358.434 4.076 0 40 FIAB CCCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC1CCCCC1 225378378 JXNBXUNUZJFDFW-FQEVSTJZSA-N 358.526 4.085 0 40 FIAB CCOc1c(C)cc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C 225562325 UTAZSNDJYLLRRZ-UHFFFAOYSA-N 353.462 4.389 0 40 FIAB CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc(C)c(C)c1 225569224 CEMGMNHDXHRXAD-GOSISDBHSA-N 361.507 4.358 0 40 FIAB COc1cccc(-c2nnsc2C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 225768349 IOZVUZWWZKICAD-NSHDSACASA-N 373.865 4.358 0 40 FIAB Nc1nc2c(Cl)cc(NC(=O)COc3ccc(Cl)cc3)cc2s1 226312074 NEIMXLMHOQWHLZ-UHFFFAOYSA-N 368.245 4.203 0 40 FIAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1 242847368 FXPGFIVYTBFLSZ-UHFFFAOYSA-N 364.489 4.230 0 40 FIAB CC(C)[C@H]1O[C@H]2c3ccc4c(c3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O)OC(C)(C)C4 257270541 MURDDUBZCZNFSM-LHHMISFZSA-N 374.477 4.374 0 40 FIAB CCOc1ccc(C)cc1-c1ccc(C(=O)N(C)CCO)c(CC(C)C)c1 257287806 PRONRSSNFOUTSZ-UHFFFAOYSA-N 369.505 4.324 0 40 FIAB CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)Cc2ccccc2)c1 257344037 ZVMREPIBDRYRBA-UHFFFAOYSA-N 359.473 4.082 0 40 FIAB COc1cccc(C2=CCN(C(=O)c3cc(C4CCCCC4)[nH]n3)C2)c1 329558631 QUHAJONLSDGGPO-UHFFFAOYSA-N 351.450 4.005 0 40 FIAB CN(Cc1cccc(O)c1)C(=O)c1cc(Cl)cc(Br)c1F 683492909 VKAGRGKATYZNNY-UHFFFAOYSA-N 372.621 4.219 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(N4CCN(c5ccccc5)CC4)c23)C1 710423 UVYPWWVAKXCSGK-HNNXBMFYSA-N 364.518 4.143 0 40 FIAB O=C(CSc1ccccn1)Nc1ccc(Br)c2cccnc12 872294 YNJLCCGEUGLHDP-UHFFFAOYSA-N 374.263 4.123 0 40 FIAB COc1ccccc1C(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 1370456 LIEKUNYYPLIGRD-IHWFROFDSA-N 364.489 4.011 0 40 FIAB Cc1c(Cl)cccc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O 1779586 VIVXMKANCIBFSL-UHFFFAOYSA-N 361.228 4.080 0 40 FIAB CCCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 2273532 VZPSXQNCTFCUOW-IRXDYDNUSA-N 352.478 4.158 0 40 FIAB Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 2420733 QGXRGKYEZZRLFJ-UHFFFAOYSA-N 372.494 4.252 0 40 FIAB C[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2)cs1 2642866 GCTSZRBLPVMNEG-GFCCVEGCSA-N 370.405 4.133 0 40 FIAB COc1cc(C(=O)Sc2nc3ccccc3s2)cc(OC)c1OC 3066029 CAZZUBMOYFZWFQ-UHFFFAOYSA-N 361.444 4.255 0 40 FIAB CC(=O)[C@@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc3ccccc3c2)C1(C)C 3171861 BSAOKGVTDZDSLM-WMZOPIPTSA-N 368.502 4.294 0 40 FIAB CC(C)N(C(=O)CSc1nnc(NC2CCCCC2)s1)C(C)C 3273815 MPGKJDUNUNKLBX-UHFFFAOYSA-N 356.561 4.020 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cn1 3401525 AVJJLYZINVXNMU-UHFFFAOYSA-N 366.804 4.198 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2OC)on1 3908068 FBAWAMUAEFNHRY-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB C[C@@H](c1nnc(SCc2ccccc2F)n1-c1ccc(F)cc1)N(C)C 4500422 HEYAGTNSLAWNEV-ZDUSSCGKSA-N 374.460 4.460 0 40 FIAB Cc1ccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1C 4577594 PPSOQAGZJPVWFD-IBGZPJMESA-N 354.450 4.193 0 40 FIAB C[n+]1ccc(/C=C/c2cn(CC(=O)NC3CCCCC3)c3ccccc23)cc1 4932975 FRBADZVWYHLEBW-UHFFFAOYSA-O 374.508 4.085 0 40 FIAB Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1 4967877 AXCAIKJCWLCXTQ-QGZVFWFLSA-N 365.502 4.138 0 40 FIAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 5394992 XZUKRPPQRMOXQF-UHFFFAOYSA-N 353.224 4.095 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2C)c1 5555713 VLYBHSLCMHYYMT-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB C[C@@H](NC(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 5612327 GBQVABFNAPUVBE-GOSISDBHSA-N 373.452 4.239 0 40 FIAB Cc1ccc(OCc2n[nH]c(SCC(=O)c3ccc(C)cc3C)n2)cc1 6064818 AETRFKXEJLBEEV-UHFFFAOYSA-N 367.474 4.284 0 40 FIAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(F)ccc1F 6084800 ZEUPPQPUMBZHQI-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB CCCCC(=O)Nc1cccc(NC(=O)COc2cc(C)cc(C)c2)c1 6396863 FWTYSNNLBMWKBU-UHFFFAOYSA-N 354.450 4.450 0 40 FIAB S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc2c(c1)OCCO2 6445431 JLGLRYUZGSEZCN-UHFFFAOYSA-N 369.490 4.169 0 40 FIAB CC(=O)Nc1nc(COc2ccc(Cl)cc2Br)cs1 6880935 HBGCHYGRAYOMPH-UHFFFAOYSA-N 361.648 4.096 0 40 FIAB NC(=O)c1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 7271604 YMJSJNCEGGFVRJ-UHFFFAOYSA-N 364.405 4.340 0 40 FIAB COc1ccc(OC)c(-c2csc(CC(=O)Nc3ccccc3C)n2)c1 7643542 VDLFQMZVFWEPEO-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB COc1ccccc1CN(C)C(=O)c1ccc(-n2cnc3ccccc32)cc1 8164638 ZLFZDNPVAPSFBF-UHFFFAOYSA-N 371.440 4.306 0 40 FIAB CC[C@@H](C)n1c(SCc2nccn2C(F)F)nc2ccccc2c1=O 8778617 LMDNTBQCRMXQKH-LLVKDONJSA-N 364.421 4.251 0 40 FIAB COc1ccc(NC(=O)CSc2nc(C)c(-c3ccccc3)[nH]2)cc1 9191700 KFXFFEUZAVHVTR-UHFFFAOYSA-N 353.447 4.125 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccccc2C)c1C 9218319 VBERIVLYKLJVOF-ZBFHGGJFSA-N 356.466 4.039 0 40 FIAB CSc1ccc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)cc1 9336368 NUSOVBGWTILDOC-UHFFFAOYSA-N 359.476 4.318 0 40 FIAB CC(C)c1cc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)on1 9515087 KTOZLJWLKNWCNF-UHFFFAOYSA-N 368.462 4.349 0 40 FIAB CN(CC(=O)Nc1ccccc1Cl)C(=O)Nc1nc2ccccc2s1 9711167 XXQMIJDGVAPOGV-UHFFFAOYSA-N 374.853 4.052 0 40 FIAB C[C@H](c1ccccc1)N(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl 11289551 ZFOJXTVMKLONOD-CYBMUJFWSA-N 372.317 4.460 0 40 FIAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)N2CCC(C)CC2)cc1C 11395006 JBSFIKKDXGCCBB-KRWDZBQOSA-N 357.523 4.228 0 40 FIAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 11913946 IERLRKUBZGQPSW-UHFFFAOYSA-N 357.410 4.385 0 40 FIAB COc1ccc(/C=C\c2cc(/C=C/c3ccc(OC)cc3)nc(=O)[nH]2)cc1 12420240 UHIYYUBMHKYFJB-INWPEIIHSA-N 360.413 4.128 0 40 FIAB COc1ccc(NC(=O)Cc2cc(-c3ccc(Cl)cc3)on2)cc1OC 12422191 CMSJRFFDWCZDLP-UHFFFAOYSA-N 372.808 4.193 0 40 FIAB CCCc1nc2ccccc2n1C[C@@H](O)c1cccc(Br)c1 12525341 WTCFZLYIRPNLNF-QGZVFWFLSA-N 359.267 4.485 0 40 FIAB COc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 12604617 WZUZKKPRRYLIEN-UHFFFAOYSA-N 365.760 4.168 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(OC)cc2OC)cc1 12760679 JKUAGOHSDBMUNV-SQSZOCELSA-N 367.445 4.089 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cc(F)ccc1F 12796934 MFPNMRWBJAEUEK-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB Cc1nc2ccccc2nc1COC(=O)[C@H](C)Oc1ccc(Cl)cc1 12811573 YITIAQSDJLPERV-ZDUSSCGKSA-N 356.809 4.102 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(OC)cc(OC)c1 12943287 VBHQEIWWKSZURJ-DUMMIQTOSA-N 357.475 4.315 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 12987534 CQONTXQPANSLNX-LAUBAEHRSA-N 352.478 4.052 0 40 FIAB O=c1[nH]c(Cc2ccccn2)nc2scc(-c3ccc(Cl)cc3)c12 13865650 SJVNXFDRXFKFRU-UHFFFAOYSA-N 353.834 4.291 0 40 FIAB Cc1ccc(-c2cc(=O)c3c(N)nn(-c4nc5ccccc5s4)c3o2)cc1 14163334 MHCXCDUSUTYQQY-UHFFFAOYSA-N 374.425 4.146 0 40 FIAB COc1ccc(F)cc1C(=O)NCc1ccc(-c2csc(C)n2)s1 14200423 LTGKMVZHJIPPFY-UHFFFAOYSA-N 362.451 4.258 0 40 FIAB C[C@H](Oc1ccccc1Br)C(=O)Nc1cc(F)ccc1F 15394746 FSOILQOENVRUOX-VIFPVBQESA-N 356.166 4.133 0 40 FIAB Cc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)cc1Cl 17120817 ITAKZWUKOIAZBD-UHFFFAOYSA-N 356.861 4.423 0 40 FIAB O=C(NCc1nnc(-c2cccs2)o1)C1(c2ccc(Cl)cc2)CCC1 19344882 HTHORIBMQYMWJH-UHFFFAOYSA-N 373.865 4.190 0 40 FIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1cccc(OC)c1)C3 19519992 CNZAFGXIPYKPRS-UHFFFAOYSA-N 364.401 4.157 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)c(C)c1 22525026 PSZGVTGJUYHXOI-CQSZACIVSA-N 362.267 4.322 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nccc(C(F)(F)F)n2)cc1F 22614534 HZZYCYWZSIFTID-SECBINFHSA-N 359.348 4.062 0 40 FIAB COC(=O)c1cccc(CSCC(=O)N2c3ccccc3CC[C@@H]2C)c1 22816211 DCYAAYLRIJPIMT-HNNXBMFYSA-N 369.486 4.074 0 40 FIAB Cc1ccccc1NC(=O)[C@H](NC(=O)c1ccccc1F)c1ccccc1 23002775 HONFSLOBHQNVOV-HXUWFJFHSA-N 362.404 4.244 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c1 24648808 KTGDURBYPDEMKR-UHFFFAOYSA-N 360.339 4.155 0 40 FIAB CSc1ccc(C)c(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)c1 24742518 GWFHJKYLHISHSJ-UHFFFAOYSA-N 356.491 4.044 0 40 FIAB CCc1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 25778594 URPJKAYSQHUNCZ-RMKNXTFCSA-N 362.517 4.039 0 40 FIAB Cc1ccc(NC(=O)CCn2nc(C(F)(F)F)cc2C2CC2)c(C)c1 28238159 WGYONFPLTLACGL-UHFFFAOYSA-N 351.372 4.425 0 40 FIAB O=C(Nc1nccs1)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 28839170 PWMHRQWIBOIWNJ-UHFFFAOYSA-N 356.426 4.124 0 40 FIAB CC(=O)c1cccc(NC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 32841541 HYBKZFMQSWFCNB-UHFFFAOYSA-N 365.429 4.111 0 40 FIAB O=C(Oc1cccc2cccnc12)C1CCN(c2nc3ccccc3o2)CC1 32876668 OCIODLDMQBPVHK-UHFFFAOYSA-N 373.412 4.198 0 40 FIAB CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1C[C@H](C)O[C@H](C)C1 36624726 RPJQIINPUPRITH-GASCZTMLSA-N 366.461 4.122 0 40 FIAB COc1ccc(-c2nc(CN(Cc3ccccc3F)C3CC3)no2)cc1 40066917 CSGIDKXLRFPOBV-UHFFFAOYSA-N 353.397 4.049 0 40 FIAB O=C(O)c1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1 41151223 WBGNIJBDCCMCOM-UHFFFAOYSA-N 360.373 4.277 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc(C)cc1 44880758 WUOMUVWKZBDRLE-QGZVFWFLSA-N 355.862 4.358 0 40 FIAB Brc1ccc(SCc2nc(-c3cccs3)no2)nc1 45020348 KQOZYAPYTNXZGM-UHFFFAOYSA-N 354.254 4.248 0 40 FIAB Cc1ncsc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 46574009 GYSPLYLAFISEAA-UHFFFAOYSA-N 355.444 4.251 0 40 FIAB Cc1ccc(-n2nnc(C(=O)N[C@H](C)c3ccc(F)cc3)c2C)cc1Cl 51317820 COJRDMBQEADRPF-GFCCVEGCSA-N 372.831 4.168 0 40 FIAB CC(C)NC(=O)Nc1ccccc1C(=O)N(C)Cc1ccc(Cl)s1 52949404 IPAJULNXAJCJGE-UHFFFAOYSA-N 365.886 4.204 0 40 FIAB O=C(c1nccc2ccccc12)N1CCc2cc(Br)ccc21 60322198 GECBWXSUIVRGFI-UHFFFAOYSA-N 353.219 4.200 0 40 FIAB OC1(CSc2nnc(NCc3ccc(F)cc3)s2)CCCCC1 65170908 AZPWCRNYMDBOOI-UHFFFAOYSA-N 353.488 4.077 0 40 FIAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccs2)cc1Cl 71116159 BRXBXOYNFAWCEA-UHFFFAOYSA-N 361.854 4.120 0 40 FIAB CC(C)c1ccc(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 72085546 NGIROQCMPPLWCH-UHFFFAOYSA-N 358.488 4.248 0 40 FIAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)c1nc2cc(Cl)ccc2n1C 79017959 UIZMHPVASPKOEG-GFCCVEGCSA-N 368.820 4.307 0 40 FIAB Cc1ccccc1OCC(=O)N1CCC(CSCc2ccco2)CC1 85472424 QKZUWEBYTLPWGM-UHFFFAOYSA-N 359.491 4.139 0 40 FIAB O=C(NCc1ccc(F)cc1)N1CCC(CSCc2ccco2)CC1 85472492 XFRWSZBXYDCMPK-UHFFFAOYSA-N 362.470 4.274 0 40 FIAB O=C(NCc1ccccc1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 85562277 MHNZRLMUYYXVQE-QGZVFWFLSA-N 365.260 4.277 0 40 FIAB COc1ccc(CCCC(=O)NC2(c3noc(C(C)C)n3)CCCC2)cc1 89893582 ZWIHTNLMTSARFT-UHFFFAOYSA-N 371.481 4.110 0 40 FIAB COc1cc(C2=N/C(=C/c3sccc3C)C(=O)O2)ccc1OC(F)F 96635183 YPEVJSJXSLESSX-DHZHZOJOSA-N 365.357 4.011 0 40 FIAB O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)NC1=NCCS1 100775364 UJHKGXHQEDZQMK-RKAKKKFESA-N 354.519 4.134 0 40 FIAB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(O)CCCC1=N2 102666410 KGGDTRSRJKSOPI-MRXNPFEDSA-N 356.451 4.070 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1OCC 219540947 KYAGQNPTKGPNQT-KRWDZBQOSA-N 371.477 4.185 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Br)S1 222559837 LLQQAKWFFISTAV-LYRGGWFBSA-N 374.307 4.433 0 40 FIAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O 223403474 CYNIRSZABSAWHM-FQEVSTJZSA-N 372.896 4.346 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 225301500 YIFTWAUHFZDMAW-UHFFFAOYSA-N 373.378 4.189 0 40 FIAB COc1cccnc1NC(=S)NCCCSCc1cccc(C)c1 225605424 DQXZLYWSYDBNPH-UHFFFAOYSA-N 361.536 4.009 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(OC)cc1OC 225702710 PJUOTNLUWNVJOB-KRWDZBQOSA-N 372.490 4.076 0 40 FIAB Cc1cccc(-c2noc(CCC(=O)N[C@H](C)CCc3ccccc3)n2)c1 225814766 DRRFGJLISMQXDT-QGZVFWFLSA-N 363.461 4.115 0 40 FIAB Cc1cc(N2CCC(CNC(=O)CCc3cccc(Cl)c3)CC2)ccn1 253402331 ODHDOFDHABZNQO-UHFFFAOYSA-N 371.912 4.009 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1C[C@H]2C=C[C@H]1C2 255189256 ORKPRBPGVPXTQO-RVBZMBCESA-N 351.777 4.065 0 40 FIAB O=C(C1CCC1)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 257232850 GMRPBGSGBZKERM-QGZVFWFLSA-N 362.433 4.139 0 40 FIAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 257311675 UKOYKGWZPLZMOT-GNISGLHKSA-N 374.444 4.125 0 40 FIAB COC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCCC1 260814698 MKFOKWVQILAGBD-SFHVURJKSA-N 374.525 4.085 0 40 FIAB CC[C@@](C)(O)CNC(=O)CCc1c(-c2ccccc2)[nH]c2ccccc12 1147953718 RYBLVFTUZKSBTR-JOCHJYFZSA-N 350.462 4.045 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)OC1CCCCC1)OCO3 929986 ZHIPKWSCVQPIBQ-UHFFFAOYSA-N 359.447 4.240 0 40 FIAB NC(=O)C1(Nc2ccc(-c3ccc(Br)cc3)cc2)CCCC1 1686517 JALBRKJBOWBFEY-UHFFFAOYSA-N 359.267 4.326 0 40 FIAB COC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 2255984 MYCDTKPHLDUXQB-UHFFFAOYSA-N 373.503 4.117 0 40 FIAB Cc1nc(NCCOc2ccccc2)sc1C(=O)Nc1ccccc1 2376870 SEILTDALSZQKBP-UHFFFAOYSA-N 353.447 4.195 0 40 FIAB CCCNC(=O)OC[C@]12CO[C@@H]3c4ccccc4O[C@@](C)(C[C@H]1C)[C@@H]3[C@@H]2C 4024714 GXXFHMDMWMPTFR-XHWNRRIESA-N 373.493 4.324 0 40 FIAB CCCCN1C(=O)[C@](O)(c2ccc(C)cc2)c2cc(Br)ccc21 4108719 QNUYPYNMWADARV-IBGZPJMESA-N 374.278 4.140 0 40 FIAB Cc1cc2cc(CNS(=O)(=O)c3ccc4ccccc4c3)ccc2[nH]1 4138273 WVXREIKVLMVHPS-UHFFFAOYSA-N 350.443 4.108 0 40 FIAB Fc1ccc(-c2ccc3nnc(SCc4ccccc4F)n3n2)cc1 4376653 MWMAFAXWJRBSRZ-UHFFFAOYSA-N 354.385 4.362 0 40 FIAB COc1cccc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(=O)oc12 4675244 PBZMXPZZIKDKMM-UHFFFAOYSA-N 354.749 4.172 0 40 FIAB COc1cccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(C)cc3)no2)c1 4717892 YDMPPEXLUPJBKM-GOSISDBHSA-N 363.417 4.031 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)n2c(nc3ccccc32)N1 4735616 HHNNFPZCYAJSGF-LJQANCHMSA-N 365.408 4.416 0 40 FIAB Cc1oc2cc3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc2c1C 4743756 SHGFQSFSJDFZLK-UHFFFAOYSA-N 367.445 4.410 0 40 FIAB in-vitro CCCN(CCC)S(=O)(=O)c1cc(Cl)c(OCC)cc1Cl 5235075 MWOCRZPQWCXNCA-UHFFFAOYSA-N 354.299 4.203 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2COC)cc1 5636848 PYKIJDXDYZZSLE-UHFFFAOYSA-N 353.374 4.008 0 40 FIAB O=C1c2ccccc2C(=O)N1CCSc1nc(-c2ccccc2)cs1 6509774 UQQFJOJOHITKHC-UHFFFAOYSA-N 366.467 4.198 0 40 FIAB O=C(NCCc1ccc(F)cc1)c1cccnc1Sc1ccccc1 6840771 ZVHQATUSXZNIQG-UHFFFAOYSA-N 352.434 4.344 0 40 FIAB Cc1ccccc1NC(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 7781759 LZCGVISFFUGRKY-UHFFFAOYSA-N 356.813 4.362 0 40 FIAB CCCc1sc(C(=O)Nc2ccnn2Cc2ccccn2)cc1CC 8193191 VABGDXKHUHFWSX-UHFFFAOYSA-N 354.479 4.155 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 8498732 CSKVDCVIRJZSSK-SFHVURJKSA-N 357.519 4.429 0 40 FIAB Cc1sc2nc([C@@H](C)Sc3ncnc4sccc34)[nH]c(=O)c2c1C 8749553 LJKHVWFLKVWLBW-SECBINFHSA-N 374.516 4.459 0 40 FIAB CCOc1cccc2cc(C(=O)Nc3cc(Cl)ccc3OC)c(=O)oc12 8855850 JQKJPSYUPNAXRX-UHFFFAOYSA-N 373.792 4.106 0 40 FIAB C[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1cc2ccccc2o1 9218090 LYIGKWGLFICAKX-KXBFYZLASA-N 365.429 4.482 0 40 FIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)c(Br)c1 9366744 FLLZUEJFWBKINB-UHFFFAOYSA-N 362.223 4.171 0 40 FIAB CCNc1c(NC(=O)Nc2ccc(C)c(C)c2)c(=O)oc2ccccc12 9607170 GWEUWNPESHSJMD-UHFFFAOYSA-N 351.406 4.486 0 40 FIAB O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1ccc2ncsc2c1 9828026 IZQXVHYPPJYRAT-UHFFFAOYSA-N 362.370 4.345 0 40 FIAB CC(C)Sc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 10253323 LCHIAWIMTOZREE-UHFFFAOYSA-N 354.431 4.285 0 40 FIAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(C(C)(C)C)cc1 10806326 LOKVLZNAGQKQLO-GFCCVEGCSA-N 360.841 4.217 0 40 FIAB CN1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)CC1=O 12539323 GBSWSYDKQMKANC-QGZVFWFLSA-N 361.489 4.328 0 40 FIAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@H]1CCCc2ccccc21 12548837 XNHWVPVYSMYBII-HNNXBMFYSA-N 373.378 4.249 0 40 FIAB Cc1ccc(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)cc1 12561532 UIZWFCMXPAOXSZ-UHFFFAOYSA-N 351.494 4.056 0 40 FIAB CC[C@@H](Sc1nnc(-c2ccoc2C)o1)C(=O)Nc1ccc(F)cc1 12724831 CZVXZXMCWTXQAB-CQSZACIVSA-N 361.398 4.287 0 40 FIAB c1ccc(CCc2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13727191 XGRCDDYIQQWQRZ-UHFFFAOYSA-N 357.442 4.186 0 40 FIAB CC(C)c1ncc(CN(CCCn2ccnc2)Cc2cccc(F)c2)cn1 13991157 WCDWWKRPMCLQGA-UHFFFAOYSA-N 367.472 4.028 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 14491858 NIWYVMQCCQRZBO-UHFFFAOYSA-N 370.478 4.273 0 40 FIAB CCCCNc1nnc(S[C@@H](C)C(=O)c2ccc(F)c(F)c2)s1 14781218 QLCBFEZSRROICK-VIFPVBQESA-N 357.451 4.392 0 40 FIAB CCN1C(=O)[C@@H](Cc2ccccc2OC)c2cc(Br)ccc21 15018156 DSBBBONDWXFPSX-HNNXBMFYSA-N 360.251 4.151 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)cc1N1CCCC1=O 15605778 NLZONSTULDKETO-UHFFFAOYSA-N 354.837 4.208 0 40 FIAB COc1ccccc1-n1c(=O)c2ccccc2n2c(C3CCCCC3)nnc12 16248169 IKGPGDMYYRXZMY-UHFFFAOYSA-N 374.444 4.090 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCCc3ccccc32)cc1 16553147 CBEFHIJWSRFSNO-AWEZNQCLSA-N 354.475 4.105 0 40 FIAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CSc2nncc3ccccc23)C1 16578033 NGISVSWVBYTYEU-FOIQADDNSA-N 355.507 4.149 0 40 FIAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2cccs2)cc1 19343354 SJCUHUIXJRDENQ-LEWJYISDSA-N 368.477 4.467 0 40 FIAB C[C@H](CCN1CCc2nc([C@@H]3CCCCN3C)ncc2C1)c1ccccc1 19455720 XMIGJZFWLPJIND-GCJKJVERSA-N 364.537 4.185 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 20141446 YNGXTPSZXIGLLM-UHFFFAOYSA-N 367.401 4.099 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20145168 YYLIIEXDGHLKEE-WUXMJOGZSA-N 363.413 4.408 0 40 FIAB Cc1csc(SCc2ccc(C(=O)Nc3ncccc3O)cc2)n1 22261876 ONTSEQRVDVEWGS-UHFFFAOYSA-N 357.460 4.097 0 40 FIAB S=c1sc2ccccc2n1CN1CCN(Cc2cccs2)CC1 22365280 QVFZHVMMECLBQA-UHFFFAOYSA-N 361.561 4.269 0 40 FIAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(OC(F)F)cc2)cc1Cl 22603275 DAAGSTXVUQFQJE-UHFFFAOYSA-N 368.767 4.081 0 40 FIAB CCN1CCc2nc(NC(=O)c3ccc(SC(C)C)cc3)sc2C1 22699013 IHVVUQKSRFGILU-UHFFFAOYSA-N 361.536 4.274 0 40 FIAB C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1Br 22777823 UYRDBXOCKKMCNB-CQSZACIVSA-N 356.267 4.486 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(CN2CCCC2)cc1 24389980 LYPRIOUOZUGGLN-INIZCTEOSA-N 372.896 4.020 0 40 FIAB COc1ccc(-c2noc(CSCc3cccc(F)c3)n2)cc1OC 24843775 HAMVHMHXRFDJHC-UHFFFAOYSA-N 360.410 4.326 0 40 FIAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3cccs3)N(C)C)sc2n1 25385559 KTENCZJAONZQCV-CQSZACIVSA-N 373.547 4.316 0 40 FIAB CSc1ccc(Cl)c(C(=O)Nc2cccc(CN3CCCC3=O)c2)c1 29287082 FWFWMRQCQKVGIP-UHFFFAOYSA-N 374.893 4.437 0 40 FIAB COC(=O)C[C@H](NC(=O)N[C@H](C)c1ccccc1)c1ccccc1Cl 29327977 IWNSOXDEMDEFON-DYVFJYSZSA-N 360.841 4.005 0 40 FIAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 29747655 CJAOKHQEBDVGKO-RWBMMGOPSA-N 354.490 4.330 0 40 FIAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)NC1CCCCC1 32609832 NYYPEALOSOHXBS-UHFFFAOYSA-N 360.433 4.130 0 40 FIAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(Cl)cc1Cl 32911521 CNUBFSCFQZFZDW-MRXNPFEDSA-N 363.288 4.388 0 40 FIAB O=C(Nc1ccccc1N1CCCCC1)c1cccc(Cn2ccnc2)c1 32932029 LEZZVMQWXQSQAI-UHFFFAOYSA-N 360.461 4.174 0 40 FIAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 40050934 AOAHMXUSHWQDBI-KRWDZBQOSA-N 366.461 4.312 0 40 FIAB CCOC(=O)C1CCN(C(=O)Nc2c(CC)ccc(Cl)c2CC)CC1 40103340 WWZSUUBIOTUGIR-UHFFFAOYSA-N 366.889 4.272 0 40 FIAB O=C(Nc1ccccc1F)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140153 HXDAVZVNWPDVBP-UHFFFAOYSA-N 357.335 4.031 0 40 FIAB O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2)no1 44778904 JUIATCRXYBQCHM-UHFFFAOYSA-N 373.865 4.189 0 40 FIAB C[C@H]1C[C@@H]1C(=O)NC1CCN(CC2(c3ccccc3)CCCCC2)CC1 45209791 XVAUQMOGZLUEQB-RXVVDRJESA-N 354.538 4.125 0 40 FIAB biogenic Cc1ccc(-c2cc(C(=O)NC(C3CC3)C3CC3)c3c(C)noc3n2)s1 48287576 NMCXJUOTFRLQAA-UHFFFAOYSA-N 367.474 4.487 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccc(OC(F)F)cc2)N1c1ccncc1 48374411 OEJPACJRQDPMJQ-SFHVURJKSA-N 367.355 4.454 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(CN(Cc2nc(-c3cccnc3)no2)C2CC2)o1 51183326 PXIXDKHMCISIEW-GUYCJALGSA-N 350.422 4.013 0 40 FIAB Cc1c(C(=O)NCc2ccc(C(C)C)cc2)nnn1-c1cccc(Cl)c1 51317628 RGRTYFNPWPNADP-UHFFFAOYSA-N 368.868 4.283 0 40 FIAB Cc1cc(S(=O)(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c(C)s1 55592124 KRXPAROZKMOOGS-UHFFFAOYSA-N 366.508 4.069 0 40 FIAB CC(=O)NCCCCCC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 58341022 KRKWAIZFNARTMR-QGZVFWFLSA-N 371.308 4.353 0 40 FIAB CCCCc1noc([C@@H](C)Sc2nncn2CCc2cccs2)n1 69947675 JDNCKMHBFLIKGK-GFCCVEGCSA-N 363.512 4.161 0 40 FIAB Brc1ccc(CSc2nc(Cc3ccccc3)n[nH]2)cc1 71233752 SLZJHBYFWZYSDK-UHFFFAOYSA-N 360.280 4.450 0 40 FIAB CC(C)CC(=O)N1CC[C@@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 72352185 SZSYDBNGKUYRNP-OAHLLOKOSA-N 372.534 4.402 0 40 FIAB CCN(C(=O)Cn1c(-c2ccccc2F)csc1=O)c1ccccc1C 95959065 BXXVDPMOSXBAFM-UHFFFAOYSA-N 370.449 4.077 0 40 FIAB Cc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)cc1 100892724 DASPKCPJGTXYQP-KRWDZBQOSA-N 367.250 4.405 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(O)cc2)C[C@@H](c2ccccc2)C1 102590564 BSMRXSHVHZSAAD-FOIQADDNSA-N 358.401 4.049 0 40 FIAB CC1CCN(c2ccc(C(=O)Nc3cccc(-n4cccn4)c3)cc2)CC1 141539108 DFUFPTAUNDZRKK-UHFFFAOYSA-N 360.461 4.361 0 40 FIAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2ccccc2c1 222766439 LELYZAFXPRIFSM-UHFFFAOYSA-N 366.420 4.270 0 40 FIAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 224874768 PFBCJISJYBEMGY-UHFFFAOYSA-N 365.760 4.181 0 40 FIAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCC(C)C)o2)c1 224897101 DCSZLHBEKYMJLC-UHFFFAOYSA-N 350.418 4.403 0 40 FIAB Cc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(N)cc2)cc1 225312159 UDCCLAFOBJBDJT-UHFFFAOYSA-N 370.449 4.112 0 40 FIAB COc1ccc(NC(=O)c2snnc2-c2ccc(C)cc2)cc1Cl 225774962 BGYZVPBTYQURQA-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 243658609 PBLVCSSDBFCSMW-IBGZPJMESA-N 364.489 4.420 0 40 FIAB Cc1cnc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)cn1 257300968 RWKGEDZEEIQTJF-LJQANCHMSA-N 372.472 4.175 0 40 FIAB Cc1csc(-c2cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc(C)n2)n1 257317143 VIOAALBWPXWHBA-UHFFFAOYSA-N 374.510 4.331 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1nc(-c2ccccc2)cs1 409207609 YOGJEZLAYFANNO-UHFFFAOYSA-N 372.833 4.259 0 40 FIAB O=C(NCc1cc(-c2ccoc2)cs1)c1cc2ccccc2oc1=O 1775969862 OWPXKJWAKXYOCC-UHFFFAOYSA-N 351.383 4.045 0 40 FIAB CC(=O)c1cccc(OS(=O)(=O)c2cc(Cl)c(Cl)cc2C)c1 1775971645 YSDXHVOTKGTDET-UHFFFAOYSA-N 359.230 4.272 0 40 FIAB COc1ccc(-c2cc3ccc(OC(=O)c4ccco4)cc3oc2=O)cc1 1317652 YKEWYTOHAKUSOC-UHFFFAOYSA-N 362.337 4.281 0 40 FIAB biogenic Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(C)c1C 3259283 VAXUBESNRFZGGH-FQEVSTJZSA-N 352.478 4.395 0 40 FIAB O=C(CCC(=O)c1ccc(Cl)s1)NCCc1c[nH]c2ccccc12 3336664 UFFZANIJBHBWLA-UHFFFAOYSA-N 360.866 4.205 0 40 FIAB COc1cccc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)c1OC 3566830 HQKDOJLRFAGBNP-IZZDOVSWSA-N 351.324 4.375 0 40 FIAB CCCCCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 3847041 JGTLGVQUAWBVCL-UHFFFAOYSA-N 366.508 4.470 0 40 FIAB biogenic O=C1C[C@@H](c2cccs2)Cc2nc(N3CCc4ccccc4C3)ncc21 4777120 UZOYJZCKQUYWDU-INIZCTEOSA-N 361.470 4.014 0 40 FIAB Cc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)C(C)C)c3ncnn32)cc1 4816498 OZCDJXRYMOPDTN-WOJBJXKFSA-N 360.461 4.310 0 40 FIAB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccccc1-c1ccccc1 4822977 JCBGCUHOOGYDNI-UHFFFAOYSA-N 371.396 4.025 0 40 FIAB Cn1c(C(=O)N(Cc2ccccc2)Cc2cccnc2)cc2sccc21 4859379 JVAYONOZBLFMBT-UHFFFAOYSA-N 361.470 4.477 0 40 FIAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccoc1C 4860720 KEYLHUQVGXPKHD-UHFFFAOYSA-N 370.478 4.214 0 40 FIAB Cc1ccc(CN2C(=O)COc3cc(NC(=O)c4ccccc4)ccc32)cc1 5000950 CSIIPCPUBJUFNH-UHFFFAOYSA-N 372.424 4.173 0 40 FIAB Cc1ccc(-c2nc3c4cnn(-c5ccc(C)c(C)c5)c4ncn3n2)cc1 5157839 KUUVZPJGZDBQHN-UHFFFAOYSA-N 354.417 4.055 0 40 FIAB Cc1ccc(C(C)C)c(OCc2nc3c4c(C)c(C)oc4ncn3n2)c1 5244703 ZBSFVYRZPNMYMT-UHFFFAOYSA-N 350.422 4.498 0 40 FIAB COC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 6183569 YVCQLADPAZVQRJ-HUTYWVKSSA-N 374.521 4.155 0 40 FIAB O=C(O)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 6431697 IXGWNLFZNWTOAQ-NTCAYCPXSA-N 368.392 4.254 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccccc3Br)C[C@H]2C)c1 6650796 XYZAOGZFKFKJTB-OAHLLOKOSA-N 373.294 4.108 0 40 FIAB CSCC[C@@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 6657828 WDJPEKJHQJZQAK-MRXNPFEDSA-N 359.520 4.168 0 40 FIAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccn3)c(C)c12 6673532 ALJSNVYKHRKUSE-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)c1cc(C2CC2)nc2ccccc12 7064548 GOYHHVZEOGJBAA-UHFFFAOYSA-N 359.473 4.104 0 40 FIAB Cc1c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)oc2ccc(Cl)cc12 7279472 UHSIFWUIDRQAOR-UHFFFAOYSA-N 356.809 4.349 0 40 FIAB CCNCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 8476349 FESFVHJCEOTYDL-SZSLLKTLSA-N 373.500 4.419 0 40 FIAB COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 8535053 GMYOMDAJUSBARI-GFCCVEGCSA-N 370.276 4.051 0 40 FIAB Cc1ccc(N2C[C@@H](c3nc(-c4ccc(Cl)cc4)no3)CC2=O)cc1F 8605303 DLABYWSEJKIFEJ-ZDUSSCGKSA-N 371.799 4.358 0 40 FIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc2c(c1)CCC2 8685389 ZBLBNGCXJKRNON-UHFFFAOYSA-N 357.866 4.436 0 40 FIAB COc1cccc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)oc12 8771901 CYMJPYZXMWZXOR-UHFFFAOYSA-N 363.291 4.073 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3C)ccc21 8958835 MIPVYJFVPJROJP-UHFFFAOYSA-N 366.461 4.409 0 40 FIAB COc1cc(CNC(=O)N(C)[C@H](C)c2cccs2)ccc1OC(F)F 9256603 UFIYAJABOYRCDL-LLVKDONJSA-N 370.421 4.261 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cc(Cl)c(O)c(Cl)c2)on1 12366528 WNKJDOGXASHUOD-BLLLJJGKSA-N 355.265 4.496 0 40 FIAB Cc1cc(C)n(CCCNC(=O)c2sc3cccc(C)c3c2Cl)n1 12749304 MWHXBHKPXDUDRG-UHFFFAOYSA-N 361.898 4.497 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 12771977 JQLYPEOOPOZACO-KBPBESRZSA-N 355.409 4.080 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)SCc2ccccc2)c1 13649298 SRFBARDOWMAINV-HNNXBMFYSA-N 357.475 4.432 0 40 FIAB CCOc1cccc2sc(NC(=O)Cc3ccc(OC)c(C)c3)nc12 13971632 UPIZALVSJWDWHN-UHFFFAOYSA-N 356.447 4.193 0 40 FIAB C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1cccs1 14181438 LHAMPNJXEVQBNF-LKFCYVNXSA-N 366.895 4.082 0 40 FIAB S=c1sc(NC2CCCCC2)nn1CN1CCc2sccc2C1 14310222 ONKHNMHTLAAVHD-UHFFFAOYSA-N 366.581 4.496 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)Cc1nc(-c2ccccc2)oc1C 14899871 FKRVFEHBYHVPKX-AWEZNQCLSA-N 350.418 4.079 0 40 FIAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(OC(F)(F)F)cc1 16130055 FCLSSDQZMSBOSH-UHFFFAOYSA-N 369.723 4.179 0 40 FIAB CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(C)(C)C 16780127 WYDLQNPITJUPTG-UHFFFAOYSA-N 353.528 4.384 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)c1sccc1-c1ccccc1 17854439 LJKAIURSLJAUDV-UHFFFAOYSA-N 364.470 4.400 0 40 FIAB CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC1CCCCC1 19589208 DNOIGRAXKKSHGN-KCZVDYSFSA-N 358.501 4.185 0 40 FIAB CCc1nc2ccccc2n1[C@H](C)C(=O)Nc1cccc(Cn2cccn2)c1 19718468 XPFOMOITRPHYPJ-MRXNPFEDSA-N 373.460 4.043 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(C)cc1 20105499 IOGZEPILDAMRGN-FQEVSTJZSA-N 373.518 4.211 0 40 FIAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1C 20143757 BZOLPDGQCYUDCM-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB Cc1cc(C(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)c(C)n1C(C)C 23186458 HWEKAGJHCPMEEU-OAQYLSRUSA-N 358.457 4.081 0 40 FIAB CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1 24029705 RXTLWUJKPFPBPD-UHFFFAOYSA-N 372.490 4.108 0 40 FIAB COc1ccc(NC(=O)c2c(F)cccc2F)cc1OCc1ccncc1 25852802 LNJWQOOUJVETON-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB Clc1nc(Cl)c2cc(Br)cc(Br)c2n1 26899361 WGFGWYKSITZBOO-UHFFFAOYSA-N 356.832 4.462 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cccc2ccccc12 28434156 DWYQFTQVFSRDKH-BEFAXECRSA-N 368.477 4.417 0 40 FIAB CC(=O)NCCc1ccc(-c2csc(Cc3ccc(F)cc3)n2)cc1F 30447148 QUPIAJHCQQIOAO-UHFFFAOYSA-N 372.440 4.358 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1 31114250 CEXIAYFFXDEGNK-UHFFFAOYSA-N 350.384 4.393 0 40 FIAB O=c1c2ccc(-c3cccc(Br)c3)nc2[nH]n1-c1ccccc1 32074483 XHRGUFPLTRJERS-UHFFFAOYSA-N 366.218 4.143 0 40 FIAB O=c1c2ccsc2ncn1Cc1csc(Cc2ccc(Cl)cc2)n1 32316858 MDLQSRRWDPKALZ-UHFFFAOYSA-N 373.890 4.207 0 40 FIAB C[C@H](NC(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccco1 32745306 YNDYCZXAIDEEHL-QMMMGPOBSA-N 370.261 4.432 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3F)on2)cc1F 32830312 HQPGFINNMRZMRF-NSHDSACASA-N 358.344 4.119 0 40 FIAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccc(Cl)s3)n2n1 32871500 JCKAOTLGLPBTMM-UHFFFAOYSA-N 374.878 4.276 0 40 FIAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1csc(C(C)(C)C)n1 32913814 HMZQDXRWQPHTEZ-ZDUSSCGKSA-N 366.552 4.037 0 40 FIAB CC1(C)CC(N2CCC(Cc3ccccc3)CC2)=CC(=[N+]2CCOCC2)C1 33402443 DAPAFKVQSOABEM-UHFFFAOYSA-N 367.557 4.129 0 40 FIAB Clc1nc2cc(Br)c(Br)cc2nc1Cl 34454648 GEFUBONAJDPKHA-UHFFFAOYSA-N 356.832 4.462 0 40 FIAB Cc1cc(C(=O)COc2ncnc3sc4c(c23)CCC4)c(C)n1C(C)C 39562591 UDSRWZMCQPBBJG-UHFFFAOYSA-N 369.490 4.441 0 40 FIAB CCc1noc([C@@H](C)Sc2nnc(Cc3cccs3)n2C2CC2)n1 42651544 YWYCQAZQIYRCIT-SNVBAGLBSA-N 361.496 4.064 0 40 FIAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)O 44297864 XBOKTKLCTPQDCO-KRWDZBQOSA-N 359.397 4.013 0 40 FIAB COCc1c(C(=O)Nc2ccccc2Cn2cccn2)oc2ccccc12 47901617 RCFDUIWEHFLTMD-UHFFFAOYSA-N 361.401 4.076 0 40 FIAB COc1ccc(-c2nc(N)cc(Nc3cccc(Cl)c3)n2)cc1OC 49468158 ADLUDFHOBYGIJY-UHFFFAOYSA-N 356.813 4.140 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1 57315252 SHNFPECLZFCHSM-NSHDSACASA-N 368.811 4.225 0 40 FIAB O=C1CSc2ccc(C(=O)N(Cc3ccccc3)CC3CCC3)cc2N1 57398903 NHADLODCGUHZDJ-UHFFFAOYSA-N 366.486 4.173 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412084 DAAUYTMVKYSYRG-UHFFFAOYSA-N 369.808 4.159 0 40 FIAB Cc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1c1ccc(F)cc1)C(=O)N2 58157423 ZJGVKNARKZBDOR-JOCHJYFZSA-N 373.387 4.012 0 40 FIAB CCN(c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1)C1CCCCC1 59330881 OBBYOXZSJMFFEX-UHFFFAOYSA-N 367.445 4.480 0 40 FIAB C[C@@H]1CN(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 60368538 UNPMEYMQKWGFIN-HZPDHXFCSA-N 370.459 4.027 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccccc2F)cc1OCC 69539342 PLZYAZAFPZANBP-OAHLLOKOSA-N 359.441 4.433 0 40 FIAB CCCC[C@@H](CC)CNC(=O)c1ccc(I)cc1 70134268 HAGDNTVEPYIJKY-GFCCVEGCSA-N 359.251 4.237 0 40 FIAB CCCCOCCN(C(=O)C1CCC1)c1ccc(Br)cc1 72288266 FKQIIYGYOZVOJY-UHFFFAOYSA-N 354.288 4.399 0 40 FIAB O=C(NCC1(O)CCCCCC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 72290233 GXNBJEDHLYEBQX-LSDHHAIUSA-N 355.400 4.010 0 40 FIAB CCOC(=O)c1cc(N)cc2nc(-c3cccc(Br)c3)oc12 73641782 VDKAVIUUYPQFDP-UHFFFAOYSA-N 361.195 4.016 0 40 FIAB Clc1cnc2oc(-c3cccc(I)c3)nc2c1 78406988 NVXGBBJBICEFSQ-UHFFFAOYSA-N 356.550 4.148 0 40 FIAB O=C(c1cccc(I)c1)c1ccnc2ccccc12 83317229 VLCBAGVFQVCROC-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB CCOc1ncccc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 84802891 HPHIAGFFZVSDFD-UHFFFAOYSA-N 359.857 4.376 0 40 FIAB CN(CCCCc1ccccc1)C(=O)c1cnc(Oc2ccccc2)cn1 91022375 PGACDJDWQJPZDW-UHFFFAOYSA-N 361.445 4.364 0 40 FIAB COc1ccc(CNCc2c(Cl)cccc2N2CCCC2)cc1OC 95450131 SUCVNZBINTYQOS-UHFFFAOYSA-N 360.885 4.247 0 40 FIAB C[C@@H](CCO)C1(CNC(=O)CCc2ccc(-c3ccccc3F)o2)CCC1 95987109 PRBZJAQPJVHGPP-INIZCTEOSA-N 373.468 4.323 0 40 FIAB COc1ccc(CN2CCC3(CC2)C[C@@H](OCc2ccccc2)CO3)cc1 96047859 VWPSENPBPLVULM-JOCHJYFZSA-N 367.489 4.036 0 40 FIAB CNC(=S)N1N=C(c2cccc(OC)c2)C[C@@H]1c1cccc(Cl)c1 97105049 GHOFPOLXNXENEH-QGZVFWFLSA-N 359.882 4.004 0 40 FIAB O=C1[C@@H]2CSCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 107172269 NIZRVLQDVKDPLB-JKSUJKDBSA-N 365.285 4.414 0 40 FIAB O=C1CCc2cc(OCCCCc3cnnn3C3CCCCC3)ccc2N1 204355167 OVVRPFDVQNLXAZ-UHFFFAOYSA-N 368.481 4.070 0 40 FIAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1 222865010 VSQAPUHGVAEMOW-FQEVSTJZSA-N 355.478 4.382 0 40 FIAB Cc1cc(C)cc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 224695110 BANFLTBDSOBOED-ZHZULCJRSA-N 360.413 4.306 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COC(C)C 224717867 ZFFDBQXSEZBJPX-UHFFFAOYSA-N 373.449 4.280 0 40 FIAB CC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(OC)c(OC)c1 224792132 QOIFPYHTBCVJKK-OAHLLOKOSA-N 351.805 4.377 0 40 FIAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1cccc(Cl)c1 225738927 OOHVYPXJTNTIAK-AWEZNQCLSA-N 359.926 4.468 0 40 FIAB CCOc1ccc(NC(=S)N[C@H](C)COc2ccc(C)c(C)c2)cc1 225789473 HUWCHCWEOSLLPA-MRXNPFEDSA-N 358.507 4.456 0 40 FIAB Cc1ccc2oc(=O)c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1 226037195 SGFLGTVZEDIRPI-UHFFFAOYSA-N 361.441 4.196 0 40 FIAB COc1cccc(-c2ccc([C@H]3CCCCN3Cc3cnn(C)c3)cn2)c1 257304939 SNTSABLUZUPFEN-JOCHJYFZSA-N 362.477 4.218 0 40 FIAB Fc1cccc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)c1 306142241 WUGLLGQBWDAHEM-KRWDZBQOSA-N 350.441 4.267 0 40 FIAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 408629198 PMJLSXRKWAEYME-GFCCVEGCSA-N 372.490 4.013 0 40 FIAB CSc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C)cc2)o1 408714666 UPHBFDBXWLXAFW-UHFFFAOYSA-N 353.447 4.039 0 40 FIAB Cc1cc2nc3s/c(=C\c4ccc(C(C)(C)C)cc4)c(=O)n3c2cc1C 408721202 MHJDDLTUXLXWRQ-UNOMPAQXSA-N 362.498 4.371 0 40 FIAB Cc1ccc2c(C(=O)N3[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]3C)csc2c1 553899733 HLKUTQMWPXEYOI-GJZGRUSLSA-N 372.534 4.317 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N1C[C@H](C)c2ccccc21 563649875 KCGNGNZAWDBIFD-INIZCTEOSA-N 363.461 4.387 0 40 FIAB COc1ccc(C(=O)NC[C@@H](c2csc3ccccc23)N(C)C)cc1F 575622578 ZYKNJBBVNAPGRA-KRWDZBQOSA-N 372.465 4.082 0 40 FIAB Cc1csc(C(=O)N2CC3(CCOCC3)[C@H]2c2cnn(C(C)(C)C)c2)c1 585093500 AAMCZAXUDATWMC-QGZVFWFLSA-N 373.522 4.002 0 40 FIAB Cc1ccc(=Nc2cccc(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3)c2)[nH]n1 605514315 QAXZAUQHAOQRGK-RTWAWAEBSA-N 372.472 4.017 0 40 FIAB O=C(NCC1CCC1)c1ccc(Oc2ccc(Br)cc2)nc1 612147704 GERWTUIRJHJHGS-UHFFFAOYSA-N 361.239 4.166 0 40 FIAB Cc1ccc2cc(C)c(SCC(=O)Nc3ccc4c(c3)OCO4)nc2c1 875699 OIUVWQRFKMRVBB-UHFFFAOYSA-N 366.442 4.311 0 40 FIAB O=C1c2ccccc2C(=O)N1c1ccc(-c2cnc3ccccc3n2)cc1 1107689 DKBWHHUSBOJVAD-UHFFFAOYSA-N 351.365 4.097 0 40 FIAB COc1ccc(OCCSc2nnc3cc(C)c4ccccc4n23)cc1 1924341 QXRRGZYQBZVAGD-UHFFFAOYSA-N 365.458 4.371 0 40 FIAB O=C1N[C@](c2ccccc2)(C(F)(F)F)N=C2SC3=C(CCCC3)N12 3182694 VEKPKDDTGQQJIG-HNNXBMFYSA-N 353.369 4.315 0 40 FIAB O=C(COC(=O)CCc1ccccc1)NC(c1ccccc1)c1ccccc1 3371252 IIYUSXCQVLBGLD-UHFFFAOYSA-N 373.452 4.068 0 40 FIAB Fc1ccc(NC(=S)Nc2ccccc2I)cc1 3372431 RIJFAQGYYNQNPE-UHFFFAOYSA-N 372.206 4.239 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 4980537 WDOJNIIFRLTBGP-CQSZACIVSA-N 368.289 4.472 0 40 FIAB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccnc1 5395049 QWMWIYYRSGQHTD-QGOAFFKASA-N 369.380 4.461 0 40 FIAB Cc1ccc(F)cc1NC(=O)c1ccccc1SCC(=O)NC(C)C 5938418 BWTCAFDITGQTDF-UHFFFAOYSA-N 360.454 4.003 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 6430063 PIDGUVXEEVLOCO-UHFFFAOYSA-N 355.478 4.392 0 40 FIAB CN(c1ccc(F)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 6451978 OEIAHLNJVBHTDK-UHFFFAOYSA-N 352.189 4.097 0 40 FIAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1CCCCC1 7108457 FWIAFAZBTQOTHQ-NSHDSACASA-N 358.265 4.235 0 40 FIAB CCOc1ccc(CC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 7614804 GIFGSQRIFIMOEC-UHFFFAOYSA-N 366.442 4.282 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccn3)cc12 8027072 BDFVYAWXEQOWHU-UHFFFAOYSA-N 366.421 4.241 0 40 FIAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1F 8156453 SFMIWDHHSXPVKH-MRXNPFEDSA-N 355.438 4.211 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 8187896 GQXHMJMKMOJVJI-UHFFFAOYSA-N 360.841 4.129 0 40 FIAB COc1cc(NC(=O)COc2ccc(F)cc2Cl)c(OC)cc1Cl 8305477 SYPKGUFONKUZTD-UHFFFAOYSA-N 374.195 4.167 0 40 FIAB COc1cc2c(cc1NC(=O)Cc1c(C)noc1C)oc1ccccc12 8776492 IGPMLXLHVMIBCO-UHFFFAOYSA-N 350.374 4.381 0 40 FIAB COc1ccc2nc(-c3nn4c(-c5ccccc5)nnc4s3)ccc2c1 12407279 RLKPCUNFRBYGGR-UHFFFAOYSA-N 359.414 4.077 0 40 FIAB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2)cc1 12654927 QYVHUGLJOFWLMJ-PGMHBOJBSA-N 372.424 4.105 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)n2)c(C)c1 12792623 IQMVILOAKUQAOS-CQSZACIVSA-N 373.522 4.225 0 40 FIAB COc1ccccc1CC(=O)NCC(C)(c1ccccc1)c1ccccc1 12803383 SRSXWBGKULIFAC-UHFFFAOYSA-N 359.469 4.360 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CC=C(c2ccccc2)CC1 14140007 RNWUEUZKTBASDR-UHFFFAOYSA-N 360.461 4.250 0 40 FIAB CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 15883171 FEWMAIQWKGWAJX-UHFFFAOYSA-N 368.433 4.010 0 40 FIAB CC(C)Sc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 15975027 TZNQPBRLZYVACX-CQSZACIVSA-N 363.483 4.379 0 40 FIAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCCC1 16848862 UYLHXSDBBSXOGU-UHFFFAOYSA-N 359.882 4.271 0 40 FIAB COc1ccc(OC)c(CN2CCC[C@@H](c3nc(C)n4ccccc34)C2)c1 19240665 DKWMRFTYLCZNCT-QGZVFWFLSA-N 365.477 4.040 0 40 FIAB CCn1cc([C@H](NC(=O)C2CCC2)c2ccc(F)cc2)c2ccncc21 19524814 WDTSCJXRTRASSD-HXUWFJFHSA-N 351.425 4.201 0 40 FIAB CC(C)c1ccc(-c2nc(CC(=O)NCCCCCC(=O)O)cs2)cc1 20721831 DNLJNMMCFWXTDE-UHFFFAOYSA-N 374.506 4.237 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 21615653 WFFRUJFVEQAKEA-CYBMUJFWSA-N 372.519 4.063 0 40 FIAB Cc1ccc(Nc2nc(NC3CCCCC3)nc3c2cnn3C)c(C)c1 21873402 CUNODHHVPBTDNC-UHFFFAOYSA-N 350.470 4.468 0 40 FIAB CCn1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c2cc(C)ccc21 22234762 WVHJIYVRNCGUPS-CQSZACIVSA-N 368.864 4.474 0 40 FIAB CCOc1ccccc1NC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 24832859 XGLIAKQSGUHIOB-UHFFFAOYSA-N 367.445 4.307 0 40 FIAB COC(=O)c1occc1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O 28621271 HWEDJTVASACJDL-VAWYXSNFSA-N 363.369 4.190 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1Cl 29049703 JBNPNYZCSQIAMR-FQEVSTJZSA-N 367.880 4.163 0 40 FIAB CC(C)(C)OC(=O)NCCC(=O)N[C@H](c1cccs1)C1CCCC1 32397031 GKUCFMLTPVRKAO-INIZCTEOSA-N 352.500 4.010 0 40 FIAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc2ncccc12 32752734 MUEXIFOEBGPMQA-UHFFFAOYSA-N 360.442 4.356 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cccc(NC(=O)C3CC3)c2)c1 32771652 JKDJAWQPKNPBKF-OAHLLOKOSA-N 351.450 4.091 0 40 FIAB Cc1sc(NC(=O)CCc2ccc3c(c2)OCO3)nc1-c1ccccc1 32847810 UGRJUDZFMJPFPF-UHFFFAOYSA-N 366.442 4.419 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)N[C@H](C)CCc2ccccc2)c1 32862658 XJYHNEQCBBQBDE-CVEARBPZSA-N 356.466 4.085 0 40 FIAB CCn1nccc1NC(=O)c1oc2ccccc2c1COc1ccccc1 32982001 RSUUEMSNTHIWPP-UHFFFAOYSA-N 361.401 4.481 0 40 FIAB Cc1ccccc1OCCCNC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 35316565 YXYKFPRVPWBUSD-MRXNPFEDSA-N 370.493 4.333 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)o1 40050284 HYWSOJXOUABKCY-FZXGSTKTSA-N 364.445 4.291 0 40 FIAB C[C@@H](NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccc(F)cc1 40086400 UKFQXYSARRPSLO-CQSZACIVSA-N 366.440 4.352 0 40 FIAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 40087721 LGZIITCOQGWRDE-UHFFFAOYSA-N 373.771 4.345 0 40 FIAB O=C(NCc1ccc(OC(F)F)cc1)Nc1ccccc1N1CCCC1 40103775 PYTKUTABBGAYKP-UHFFFAOYSA-N 361.392 4.210 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1ccsc1)N(C)C 43495653 RDZQBKZGLKOIAF-LJQANCHMSA-N 372.538 4.081 0 40 FIAB Cc1ccc(-c2nnc(COC(=O)CSc3ccccc3C)o2)cc1 46838244 IFOCVTFHUPXGIG-UHFFFAOYSA-N 354.431 4.189 0 40 FIAB Cn1c(C(=O)Nc2ccc(Oc3cnccn3)cc2)cc(Cl)c1Cl 47188177 QXWNZHHMPBRRCB-UHFFFAOYSA-N 363.204 4.167 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)N(CC)Cc2cccc(F)c2)cc1 48065100 UOPCNVXLQBJSCM-JLHYYAGUSA-N 370.424 4.456 0 40 FIAB COC(=O)Nc1ccc(NC(=O)c2sc3nc(C)nc(C)c3c2C)cc1 54034339 BFKNISXKQJKKGR-UHFFFAOYSA-N 370.434 4.047 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cc(F)ccc2C)cc1 55544631 VKZFPFBPVHXNKB-UHFFFAOYSA-N 356.426 4.002 0 40 FIAB O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC(Oc2ccccc2)CC1 56593011 LEOOMBBGXUZZDP-NRFANRHFSA-N 350.462 4.391 0 40 FIAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1ccccc1)CO2 58088561 CLKIXZHGPODPOG-UHFFFAOYSA-N 361.441 4.332 0 40 FIAB C[C@@H](O)c1ccc(CNC(=O)c2ccc(C3SCCS3)cc2)cc1 58411359 JYEHHECIHLMDRX-CYBMUJFWSA-N 359.516 4.149 0 40 FIAB FC(F)(F)c1ccnc(Sc2nc(C3CC3)n(-c3ccccc3)n2)n1 58620737 CUXKBWPKFHTACK-UHFFFAOYSA-N 363.368 4.105 0 40 FIAB Cc1cc(N(CC2CCCCC2)C2CC2)n2nc(C(F)(F)F)nc2n1 59402399 YZWZWTNKMYFLHF-UHFFFAOYSA-N 353.392 4.001 0 40 FIAB Cc1cc(NC(=O)c2ccc(Cl)nc2Cl)n(Cc2ccccc2)n1 60098807 VANJKMCKNPZLJI-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB CNc1nc2c(s1)[C@H](c1cc(Br)ccc1F)CC(O)=N2 61719793 MKTORPBXAZAFCK-QMMMGPOBSA-N 356.220 4.210 0 40 FIAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H](c1cccs1)N(C)C 62582236 JFWFQNSGVIQAHO-VQIMIIECSA-N 371.550 4.361 0 40 FIAB Cc1noc(C)c1CSc1ccccc1C(=O)OC[C@H]1CCCCO1 70668285 VHYKWZGNJQDACQ-OAHLLOKOSA-N 361.463 4.310 0 40 FIAB COc1ccc2ccccc2c1CNC(=O)c1cc(-c2ccccc2)on1 83970428 AZZYUKGMUWBTTN-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB O=C(CCCN1C(=O)CCc2ccccc21)Nc1c(F)cccc1Cl 97373139 TYXUJFKQUNKQMQ-UHFFFAOYSA-N 360.816 4.177 0 40 FIAB COc1c(C)cccc1CN1[C@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 100763742 RMRYLCUBISVXIB-PMACEKPBSA-N 355.453 4.157 0 40 FIAB COc1ccc([C@@H]2C=C(c3ccccc3Cl)Nc3ncnn32)cc1OC 101134621 PTRNSUFXSKSWMY-INIZCTEOSA-N 368.824 4.005 0 40 FIAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 103717916 KTFQVICIOUPLFV-OAHLLOKOSA-N 356.853 4.455 0 40 FIAB CCN(C(=O)Nc1cccnc1Cl)[C@H]1CCN([C@H](C)c2ccccc2)C1 106924958 JCKOLSXYZGGJIX-WBVHZDCISA-N 372.900 4.424 0 40 FIAB Cc1cc(N(C)[C@@H]2CCCc3nc(C)sc32)nc(-c2ccncc2)n1 112081157 BWAMPABDNCZWMS-MRXNPFEDSA-N 351.479 4.126 0 40 FIAB Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1C 136530557 ZBRMPJJEHATJFC-PMACEKPBSA-N 374.440 4.011 0 40 FIAB CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 219327027 CESKRBUURUCECC-ROUUACIJSA-N 357.425 4.402 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)CC1 224331433 CEHMWWKPRYLQKL-LJQANCHMSA-N 350.506 4.452 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c3c(cccc13)CC2 225201511 INQHZXOSSPWUPL-UHFFFAOYSA-N 373.861 4.401 0 40 FIAB CCCSc1nnc(NC(=O)CSCc2ccccc2C)s1 225650079 BRSXWQTXPDUCIA-UHFFFAOYSA-N 353.538 4.221 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)C[C@@]2(C)C1 253617593 XJADJSSOKJQZDB-CZMFYTFLSA-N 360.494 4.099 0 40 FIAB CCN(CC)c1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)c(OC)c1 257282508 OTZQHDLERRTWPB-RJJVWVDVSA-N 374.525 4.066 0 40 FIAB CC(=O)N[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)OC2(CCOCC2)C1 257330244 XNOBQNIKISYWNS-FGZHOGPDSA-N 365.473 4.259 0 40 FIAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 408703306 RIYTWMMFEZXRIR-UHFFFAOYSA-N 360.479 4.132 0 40 FIAB CCc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)s1 409053974 PFRFDFSDYWXVNH-VBKFSLOCSA-N 359.472 4.426 0 40 FIAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cncc2ccccc12 535470969 ZQGVEXOZTMDWPS-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)CCn1c(C)ccc1C)c1nc2ccccc2[nH]1 575443208 DIDQBSCMDLJCKL-VBKZILBWSA-N 352.482 4.275 0 40 FIAB O=C(NCc1ccc(-c2ccco2)o1)c1cc(Br)cs1 575609498 WPBSMXKIERDWJR-UHFFFAOYSA-N 352.209 4.294 0 40 FIAB COc1cc(N[C@H](C)c2ccc(C(F)F)nc2)ccc1N1CCCC1=O 657952695 KBAXTFVDTHSSPW-GFCCVEGCSA-N 361.392 4.328 0 40 FIAB COc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501039991 ULXPMEQTMVEFDC-UHFFFAOYSA-N 368.487 4.295 0 40 FIAB O=C1CO[C@@]2(CCCN(C3CCCCCC3)CC2)CN1c1cccc(F)c1 1615117943 ABDVJICWJHWBHU-JOCHJYFZSA-N 374.500 4.136 0 40 FIAB CC(C)OC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 646597 PCCRHMIWBUKFAG-UHFFFAOYSA-N 374.359 4.345 0 40 FIAB aggregator Cc1ccc([C@H](c2nnnn2C2CCCC2)N(C)C2CCCCC2)cc1 883940 JKAJPGSQOPKMCA-HXUWFJFHSA-N 353.514 4.451 0 40 FIAB CCOc1ccc2nc(SCC(=O)N3CCC(C)CC3)c(C)cc2c1 933019 FAXQYPUFXYZUIL-UHFFFAOYSA-N 358.507 4.293 0 40 FIAB Fc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1 1018178 RGQAWSTUARJSIH-UHFFFAOYSA-N 360.801 4.224 0 40 FIAB CCc1nn2cc(C(=O)c3ccccc3O)cnc2c1-c1ccc(F)cc1 1350469 PWLMWPIRIOQEIF-UHFFFAOYSA-N 361.376 4.034 0 40 FIAB O=C(O)N[C@H](c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1 1615967 JGBLEKJGTAQZHB-WOJBJXKFSA-N 360.413 4.167 0 40 FIAB Cc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 2162896 PBRKOFIIISMLEF-UHFFFAOYSA-N 354.427 4.342 0 40 FIAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccccc3F)n2)c1 2917513 UPCPSPHLHRWFMJ-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1cccs1)N1CCCC1 3211453 LDSSHFVKURPSKD-PBHICJAKSA-N 351.585 4.070 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1ccc(Cl)cc1 3234852 HOQIFYBHNBFSMW-UHFFFAOYSA-N 353.201 4.107 0 40 FIAB COc1cc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)ccc1OC(F)F 3373344 TVBHIYYXNCZVIQ-OQLLNIDSSA-N 373.355 4.258 0 40 FIAB Cc1ccccc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 3404051 NHDQEYUARCICBQ-UHFFFAOYSA-N 367.261 4.075 0 40 FIAB COC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCC2 4194740 ICDDFVPTTXRHIV-UHFFFAOYSA-N 365.454 4.358 0 40 FIAB CCc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1 4356231 JOMAXFSDARIAFG-UHFFFAOYSA-N 355.507 4.247 0 40 FIAB COc1ccc(OC)c(CNc2ncc(-c3cccc(Cl)c3)n2C)c1 4678535 OREBUXYTWWFVFG-UHFFFAOYSA-N 357.841 4.370 0 40 FIAB Cc1cccc(-c2cc3nc(C)c(C)c(NCCCn4ccnc4)n3n2)c1 4902443 PXUARCBASWICRI-UHFFFAOYSA-N 360.465 4.020 0 40 FIAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccccc2)N1 5072049 ONUUEDLGZFNHKH-HXUWFJFHSA-N 366.424 4.485 0 40 FIAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)n2)cc1 5211052 NBVRMBSHQVRMAU-SOUVJXGZSA-N 358.511 4.050 0 40 FIAB O=C(Cc1ccc(F)cc1)Nc1nc2ccc(Br)cc2s1 5268266 GKZFFDRDUVNQQK-UHFFFAOYSA-N 365.227 4.379 0 40 FIAB COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c(OC)c1 5787991 YHEAZLQMOCXNHP-UKTHLTGXSA-N 355.415 4.329 0 40 FIAB Cc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 5831631 KWYXQHAUBJOQFR-ZKTCVHQMSA-N 371.502 4.033 0 40 FIAB COc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc1 6075833 ZYSLKJGRTJFPNS-UHFFFAOYSA-N 359.429 4.006 0 40 FIAB biogenic Cc1ccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)cc1 6502123 WLLNKJZEFVFSGS-LJQANCHMSA-N 350.443 4.101 0 40 FIAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccccc1 6531457 AEJJGKDUOGANBW-UHFFFAOYSA-N 364.470 4.487 0 40 FIAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccs1 6851546 JVEMGNLWDPYCNH-OAHLLOKOSA-N 374.469 4.487 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cnn(-c3ccccc3)c2)N1Cc1ccco1 7113091 QVOXLUCHWSTCHJ-OAQYLSRUSA-N 370.412 4.232 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(C)c1 7217429 MPMKSBGFNLFROS-MRXNPFEDSA-N 372.515 4.439 0 40 FIAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(OC(F)F)c1 7886616 CJZJGVMWJLAADZ-KRWDZBQOSA-N 362.376 4.273 0 40 FIAB COc1ccc(CN(C)[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 7929878 MTPLFJRAJOFQNG-OAHLLOKOSA-N 366.461 4.197 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)cc1 8041612 CWGAOMCTSQJEMQ-CQSZACIVSA-N 352.203 4.384 0 40 FIAB COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CCSc3ccccc32)cc1 8329000 LVPYIAZWVJZZBR-KDOFPFPSSA-N 356.491 4.239 0 40 FIAB COc1cc(NC(=O)CNc2ccccc2-c2ccccc2)cc(OC)c1 11618755 NXZGUSDWMPMXCQ-UHFFFAOYSA-N 362.429 4.421 0 40 FIAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(C)c(F)c2)cc1 12775655 QTXJZYLNRZNUBJ-UHFFFAOYSA-N 370.453 4.392 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cccc(F)c1 12779993 WXVIMVQZIXJUMT-UHFFFAOYSA-N 364.424 4.453 0 40 FIAB CN(CCC(=O)Nc1cccc(F)c1)Cc1ccccc1C(F)(F)F 12903820 WNXVGVVUWMBZBJ-UHFFFAOYSA-N 354.347 4.305 0 40 FIAB C[C@@H]1CCCN(C(=O)c2cc(Br)c(Br)s2)C1 12998302 PJTOASLIZXDZEC-SSDOTTSWSA-N 367.106 4.145 0 40 FIAB CCCCCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccccc32)c2ccccc21 13635142 WYFSPQWEIRVDOE-HSZRJFAPSA-N 359.473 4.094 0 40 FIAB CSc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)C(C)C)s1 13984372 NPNXCLGOSHRXJK-LLVKDONJSA-N 357.501 4.155 0 40 FIAB CC(=O)O[C@H](CCCCCCCCC[C@H](C)O)Cc1cc(O)cc(O)c1 14772419 XPDBYTRMUWQPTF-HRAATJIYSA-N 366.498 4.464 0 40 FIAB biogenic,in-vitro CC1CCN(C(=O)CCc2csc3nc(-c4ccccc4)cn23)CC1 16848746 SJVCRJRWYSVXGF-UHFFFAOYSA-N 353.491 4.254 0 40 FIAB COc1cc2c(cc1CN[C@H](Cc1cccs1)c1nccs1)OCO2 19550638 UFDLODKLPQVNSB-CQSZACIVSA-N 374.487 4.016 0 40 FIAB COc1cccc2cc(C(=O)Nc3cccc(Cn4cccn4)c3)c(C)nc12 19714914 KMLLUKGVYQYCKD-UHFFFAOYSA-N 372.428 4.049 0 40 FIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 19932867 VFRHQIPBNBPICK-QGZVFWFLSA-N 363.866 4.256 0 40 FIAB COc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20141396 QWPRMTDLQZEDOO-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577835 FIFVISDBRPJQEN-UHFFFAOYSA-N 358.413 4.086 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nccc(C(F)(F)F)n2)cc1F 22614535 HZZYCYWZSIFTID-VIFPVBQESA-N 359.348 4.062 0 40 FIAB c1ccc(CN2CCC(NC[C@H](c3cccs3)N3CCCC3)CC2)cc1 22934046 QPOVGMHIXVPFSR-OAQYLSRUSA-N 369.578 4.139 0 40 FIAB Clc1ccccc1OCCn1c(CN2CCCC2)nc2ccccc21 27757724 HTFNSODYRFHDMH-UHFFFAOYSA-N 355.869 4.365 0 40 FIAB CC(C)(C)c1nc(CSc2nnc(C3CC3)n2-c2ccccc2)no1 28010900 JKXVBHUDCVKYJO-UHFFFAOYSA-N 355.467 4.118 0 40 FIAB C[C@H]1c2cccn2CCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 29380267 YFDAMJNOHZVTEA-AWEZNQCLSA-N 355.438 4.052 0 40 FIAB CCOCc1ccccc1CNC(=O)c1csc(-c2ccsc2)n1 30509121 XDEUSYDDISQPPC-UHFFFAOYSA-N 358.488 4.338 0 40 FIAB CCc1c(C)sc2nc(N3CCCC3)n3nc(-c4ccco4)nc3c12 32094487 ACTVRFKVHVEHLM-UHFFFAOYSA-N 353.451 4.070 0 40 FIAB CN(Cc1sc2ccccc2c1Cl)S(=O)(=O)c1cccs1 32758471 YCDAYDSLUZJUIW-UHFFFAOYSA-N 357.909 4.437 0 40 FIAB COC(=O)c1ccc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 32836189 OKKCZWHXKXDGBD-UHFFFAOYSA-N 367.445 4.147 0 40 FIAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 32970932 MFVSIJQPMSAJNY-ZDUSSCGKSA-N 355.825 4.025 0 40 FIAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)o1 33004089 CCLVMLHXQQKHGW-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB CCC(=O)N(c1ccccc1)C1(COC)CCN(Cc2ccccc2)CC1 33605090 RIGNIZMZYKGGHY-UHFFFAOYSA-N 366.505 4.111 0 40 FIAB in-vitro Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)c1 36066084 YKSSBHDJIUVGOV-GRDNDAEWSA-N 370.522 4.181 0 40 FIAB CC(C)Oc1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1 40096738 DAQZQNORNVEWEN-UHFFFAOYSA-N 374.309 4.491 0 40 FIAB COc1ccccc1CN(C)C(=O)CSCc1c(F)cccc1Cl 44903228 YTJYLUWTKPNDKL-UHFFFAOYSA-N 367.873 4.380 0 40 FIAB COc1ccccc1NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1 48355148 GJVJCMWIQCCOFY-UHFFFAOYSA-N 367.449 4.146 0 40 FIAB Cc1cc(CNC(=O)[C@@H](OCC(F)(F)F)c2ccccc2)ccc1F 56390446 WRQCTUOTQBDCAZ-INIZCTEOSA-N 355.331 4.071 0 40 FIAB CC(C)[C@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)N(C)C 58194885 YAZJFMAPHHVXNS-INIZCTEOSA-N 355.463 4.095 0 40 FIAB CC(C)(C)[C@@H](NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccs1 66402315 YBWLMICVLKQTRM-LBPRGKRZSA-N 373.400 4.364 0 40 FIAB O=C(Nc1cccnc1Cl)N(Cc1cccs1)C[C@H]1CCCO1 68578911 KLORNJACSCMQDW-GFCCVEGCSA-N 351.859 4.010 0 40 FIAB COCCn1ncc2ccc(NC(=O)c3[nH]c4ccccc4c3Cl)cc21 70783808 ZNYJSYQOYUUDPP-UHFFFAOYSA-N 368.824 4.070 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc3ncccc3c2)cc1 72221825 JWXYJKZEERGNRB-OAQYLSRUSA-N 366.486 4.459 0 40 FIAB Cc1cc(C)n(-c2nc3c(C)ccc(NC(=O)c4ccco4)c3s2)n1 72229701 YMPXOONZTZOPSU-UHFFFAOYSA-N 352.419 4.253 0 40 FIAB O=C(C1CCCCC1)N1CCC(c2cccc(Br)n2)CC1 72360865 BPMJJZBVRJESBK-UHFFFAOYSA-N 351.288 4.130 0 40 FIAB CCCn1nc(C)c(-c2cncn2C[C@@H](c2ccc(C)cc2)N(C)C)c1C 72391891 UFBHZPNHWBDCPV-NRFANRHFSA-N 365.525 4.385 0 40 FIAB Cc1ccccc1[C@H]1CN(C(=O)Nc2c(C)nn(C(C)C)c2C)[C@H](C)CO1 78933006 KOEMMXAGOHAWDZ-DNVCBOLYSA-N 370.497 4.383 0 40 FIAB Cc1noc(C2CCN(C(=O)N[C@H](c3cccs3)C3CCCC3)CC2)n1 89721081 IGIKPBJHXNAZQU-KRWDZBQOSA-N 374.510 4.260 0 40 FIAB CC(C)S(=O)(=O)c1ccccc1NC(=O)N(C)[C@@H]1CCc2ccccc21 95956578 MBKGKBHIIZSYMQ-GOSISDBHSA-N 372.490 4.020 0 40 FIAB O=C(O)c1ccc(OCCSCc2ccc(Br)cc2)cc1 96191253 YQVTVUYXLQVSMG-UHFFFAOYSA-N 367.264 4.460 0 40 FIAB Cc1ncc(CNC(=O)N2CCC(c3nc4ccccc4s3)CC2)s1 98118791 GUBMWIUEJIZVQM-UHFFFAOYSA-N 372.519 4.150 0 40 FIAB C[C@@H](Sc1nnc2c(n1)[C@@H]1CC[C@]2(C)C1(C)C)C(=O)Nc1ccccc1 101025033 VJZFVMRQLJQOKM-VQZRKKFQSA-N 368.506 4.166 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102963204 SAGBPYVMMVLTFX-FMCLSXCISA-N 352.272 4.012 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccc(F)cc3)s2)cc1 223116546 PYEXZAJBRLQHSW-LBPRGKRZSA-N 357.410 4.059 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1OC)c1ccc(OC)c(C)c1 223346026 SETCEZKGNLEYOT-DOTOQJQBSA-N 357.450 4.047 0 40 FIAB O=C(CSCc1ccc(F)cc1)NCCOc1ccc2ccccc2c1 223620158 TVFNWAFVYAOQCQ-UHFFFAOYSA-N 369.461 4.407 0 40 FIAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccccc2C)c2ccccc2O1 224098442 VRVLSDRQRAHXTN-LJQANCHMSA-N 373.518 4.497 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c(C)c1 224285652 CPIBOLGFRSZJNW-SFHVURJKSA-N 363.457 4.419 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(Cl)cc2C)cc1 224593066 FBCCPQIZQAOWLY-UHFFFAOYSA-N 353.871 4.262 0 40 FIAB CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC2(CCCCC2)OC1 225915722 PMNNGJFPZIVMJJ-UHFFFAOYSA-N 373.371 4.237 0 40 FIAB CN(C(=O)C(F)(F)F)c1cccc(NC(=O)c2cc3ccccc3o2)c1 226285670 UTRZOZMKTURCAL-UHFFFAOYSA-N 362.307 4.210 0 40 FIAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 408614629 FPTMMANCDLMCQL-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C)c3)C(=O)[C@H]2C1 408689089 YEZFKJKHGSBXGJ-HKUYNNGSSA-N 374.440 4.093 0 40 FIAB O=C(CSc1cccc2ccccc12)N1CCN(c2ccccc2)CC1 409177268 GFSZARCDBCUHBM-UHFFFAOYSA-N 362.498 4.281 0 40 FIAB Clc1ccc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nc1 530411548 ZNNATEFFOVCJLY-UHFFFAOYSA-N 354.628 4.235 0 40 FIAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CCc2n[nH]cc2C1 535991263 UIRZEDXVKXPJMJ-HTAPYJJXSA-N 371.440 4.167 0 40 FIAB O=C(O)[C@@H](c1ccsc1)N1CCC(c2nc3c(s2)CCCC3)CC1 568641675 QANKTPGWRJZKCA-MRXNPFEDSA-N 362.520 4.089 0 40 FIAB O=C(c1ccc(-n2cccc2)cc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 585385975 MZNPSFBADORWRR-PMACEKPBSA-N 373.456 4.087 0 40 FIAB C[C@H](NCC1CCN(C(=O)c2ccccc2)CC1)c1ccc(C(F)F)nc1 657888366 LSBSREXXWUKKIF-HNNXBMFYSA-N 373.447 4.222 0 40 FIAB O=S(=O)(/C=C/c1ccccc1)NCCc1ccc(-c2ccco2)s1 2087183000 GQXFMIMVXVRNNZ-SDNWHVSQSA-N 359.472 4.141 0 40 FIAB Cc1cc(C)c2c(=O)c3c(oc2c1)O[C@@](C)(CO)C[C@H]3c1ccccc1 1607654 FYEMXCPCNRCWEW-KSFYIVLOSA-N 350.414 4.075 0 40 FIAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2158705 GHBABYDCQLXLTJ-OALUTQOASA-N 371.502 4.224 0 40 FIAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(OC)c1 2720743 XLMWFIMFBYMXSM-UHFFFAOYSA-N 365.458 4.378 0 40 FIAB COc1ccc(-c2cc(C(=O)NC(C)(C)C)c3ccccc3n2)cc1OC 2726563 OJKSCMRBDKJSNG-UHFFFAOYSA-N 364.445 4.447 0 40 FIAB CCCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC 3231411 LDUZXFJTNCZXNM-GHRIWEEISA-N 351.402 4.219 0 40 FIAB Cc1noc(C)c1CSc1nnc(-c2ccco2)n1-c1ccccc1 3274442 FMFKLXFEUMAJIG-UHFFFAOYSA-N 352.419 4.424 0 40 FIAB CCCc1ccc(C(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1 3340854 QPSCGSSMUOUSIV-AWEZNQCLSA-N 354.479 4.057 0 40 FIAB CCOc1cc(OCC)cc(C(=O)Nc2c(C)ccc3nsnc23)c1 4130401 CUFVGWKEDVFTGZ-UHFFFAOYSA-N 357.435 4.049 0 40 FIAB Cc1cccc(-n2c(C)nnc2S[C@@H](C)C(=O)N(C)c2ccccc2)c1 4500560 CFBZZSPYLCDGOE-HNNXBMFYSA-N 366.490 4.028 0 40 FIAB O=C1NC(c2ccccc2Cl)=N/C1=C\c1ccc(Br)cc1 4602169 RMEZMNUMCUKSNI-ZROIWOOFSA-N 361.626 4.020 0 40 FIAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCCC 4952511 QUXPHQOBHNOCRM-LJQANCHMSA-N 374.481 4.227 0 40 FIAB CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)O 5414887 FPZIQSCJZCUDSB-RYUDHWBXSA-N 358.360 4.060 0 40 FIAB biogenic,in-vitro CCCOc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3C)CC2=O)cc1 6880975 DVYJCUQUEKBYLU-KRWDZBQOSA-N 366.461 4.084 0 40 FIAB O=C([C@@H](Sc1nc2ncc(Cl)cc2[nH]1)c1ccccc1)N1CCCC1 6932654 CAGWNWAJJYEISF-HNNXBMFYSA-N 372.881 4.067 0 40 FIAB COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](Nc2ccc(C)cc2C)C1=O 7213012 LZOSVHLSLIIEQY-MRXNPFEDSA-N 372.852 4.018 0 40 FIAB Cc1ccccc1-c1nnc(SCc2nc(-c3ccsc3)no2)n1C 7819504 FJZWHNJYOUUPNG-UHFFFAOYSA-N 369.475 4.194 0 40 FIAB O=C(CNc1cccc(Br)c1)Nc1ccc(F)cc1Cl 7953211 FKGVFYKAQAUTES-UHFFFAOYSA-N 357.610 4.292 0 40 FIAB CC(C)(C)c1ccc2c(c1)N(Cc1cc3c(cc1Cl)OCO3)C(=O)CO2 8411866 TWHMPUNJIREFTK-UHFFFAOYSA-N 373.836 4.292 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cc(C)nc2ccccc12 8745140 HMHZPHBUUCAOQR-REWPJTCUSA-N 371.484 4.300 0 40 FIAB Cc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 9095713 FQJGUSAGZRJHOR-UHFFFAOYSA-N 362.429 4.173 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc1 10469511 OPPBDPIJCANYJL-HRAATJIYSA-N 369.461 4.213 0 40 FIAB CN(C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccccc1 10740860 IOJAYUTXJKAMEG-UHFFFAOYSA-N 365.433 4.407 0 40 FIAB Cc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)C2CC2)cc1 11234305 NKCYXWQHLDIPCX-LJQANCHMSA-N 374.278 4.404 0 40 FIAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1 11436178 MDEZQZFNDSXPMD-UHFFFAOYSA-N 351.431 4.411 0 40 FIAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4nccs4)ccc3C(=O)O2)cc1 11666577 INVADQPKYPVBSK-QGZVFWFLSA-N 364.426 4.158 0 40 FIAB O=C1CCCC[C@H]1CCC(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1 12188192 GUUKTXJDCKLVRA-PXNSSMCTSA-N 364.489 4.480 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cn3ccc(C)cc3n2)cc1 12529715 GYZWHHALEHRRBU-FQEVSTJZSA-N 363.461 4.409 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1Oc1ccccc1 12599437 ZZQHUSXVUOSXRY-CALCHBBNSA-N 367.445 4.425 0 40 FIAB C[C@H]1c2cccn2CCN1CC(=O)N(Cc1ccccc1)c1ccccc1 12801451 CMAQDSPRHPMGFX-IBGZPJMESA-N 359.473 4.098 0 40 FIAB CC(C)Cc1noc(CSc2nnc(Nc3cccc(F)c3)s2)n1 12821122 FTDMVMMBHHVTDW-UHFFFAOYSA-N 365.459 4.295 0 40 FIAB Cc1cc(C(=O)Nc2nc3c(C)ccc(C)c3s2)c2c(C)nn(C)c2n1 12824010 CSESQRDIQWJIKC-UHFFFAOYSA-N 365.462 4.064 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCc1ccc(F)cc1 12859904 FAEVHTYCBYFBTC-UHFFFAOYSA-N 354.347 4.229 0 40 FIAB O=C1O[C@H](Nc2nc3ccc(Br)cc3s2)c2ccccc21 13999652 WQNQPEYWTLAAGJ-ZDUSSCGKSA-N 361.220 4.340 0 40 FIAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 14159617 UDBYGDQNUYQWLM-AWEZNQCLSA-N 350.418 4.106 0 40 FIAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc2c3c(cccc13)CC2 14199206 WNYVSEZJBYPFHJ-UHFFFAOYSA-N 367.452 4.113 0 40 FIAB Cc1cc(-c2csc(N3CCCC3)n2)c(C)n1NC(=O)c1ccccc1 19542503 HDUDTVFOLUDBET-UHFFFAOYSA-N 366.490 4.213 0 40 FIAB C[C@H](CC(=O)NCC1(c2ccccc2Cl)CC1)n1cnc2ccccc21 19659807 WKJNQFOOFBXFKQ-OAHLLOKOSA-N 367.880 4.489 0 40 FIAB CC(C)n1c([C@H]2CCCN(Cc3cnn4cccnc34)C2)nc2ccccc21 19715810 ZUUPJHVDKFAVMI-KRWDZBQOSA-N 374.492 4.040 0 40 FIAB Cc1n[nH]c(SCc2ccc(NC(=O)c3cc4ccccc4o3)cc2)n1 20293603 UPNUNVIRBUCSAB-UHFFFAOYSA-N 364.430 4.404 0 40 FIAB Cc1ccc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1C 21800658 HVIKFCMXQTUBLV-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB CC(=O)c1sc(NC(=O)c2cc(Cl)ccn2)nc1-c1ccccc1 22573007 YTYCBBHAXGZYCZ-UHFFFAOYSA-N 357.822 4.313 0 40 FIAB COc1cccc([C@@H]2CCCN2Cc2cc(Cl)c3c(c2)OCCO3)c1 25068882 ISWKOQRTMNGHJG-SFHVURJKSA-N 359.853 4.457 0 40 FIAB CC(=O)c1cc(CCC(=O)Nc2ccc(N3CCCC3)c(C)c2)oc1C 25970676 GWBARLLRCILYNZ-UHFFFAOYSA-N 354.450 4.271 0 40 FIAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1 26771835 FPPSKLSVFGKMQD-UNWVZKJWSA-N 365.473 4.204 0 40 FIAB biogenic C[C@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C[C@H](C)O1 28913640 GQOIDZUJDYKMFN-GJZGRUSLSA-N 374.868 4.180 0 40 FIAB CCC(C)(C)NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32579000 QSMBVWKYSWYKDB-UHFFFAOYSA-N 365.433 4.087 0 40 FIAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1Br 32764823 BUKIHGFLIZEZEA-UHFFFAOYSA-N 359.223 4.050 0 40 FIAB CCc1cccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c1 33331625 KNFMELLQFUPDMN-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB Cc1c(-c2cc(C(F)(F)F)nc(NC3CCCCCC3)n2)cnn1C 36613911 GKLZNBHVDJWGBH-UHFFFAOYSA-N 353.392 4.339 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3Cl)C2=O)cc1C 36635462 XSCMNMKAIOJRTP-HNNXBMFYSA-N 363.244 4.354 0 40 FIAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 36635810 GSACJWBQTIWMKZ-CQSZACIVSA-N 369.635 4.391 0 40 FIAB COc1ccc([C@@H](NC(=O)CCC(=O)c2ccc(F)cc2)C2CC2)cc1 40017429 BIRXUKCALKNPLR-NRFANRHFSA-N 355.409 4.065 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 40115516 IGHZXZHLXKWEHH-UHFFFAOYSA-N 367.445 4.345 0 40 FIAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 48368356 FFZRDMSEVDPUTH-DLBZAZTESA-N 372.896 4.058 0 40 FIAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(Cc1ccncc1)C3 54313275 KSCGHIUBWMTLFI-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB biogenic Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 57692655 CMNMGHCJHPTVSE-UHFFFAOYSA-N 360.369 4.317 0 40 FIAB O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCC[C@@H]1c1ccsc1 65554358 ROCKRECNTRVANF-CEWLAPEOSA-N 357.519 4.340 0 40 FIAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1Nc1ccccc1 72214122 RTRWPWLJJMDJQV-UHFFFAOYSA-N 355.438 4.313 0 40 FIAB CCOC(=O)c1cc(NC(=O)Nc2nc3ccc(CC)cc3s2)c[nH]1 76092138 VTHDBAHQYFHACC-UHFFFAOYSA-N 358.423 4.008 0 40 FIAB Cc1ccc(-c2noc([C@@H](C)Nc3ccc4c(c3)CCC(=O)N4)n2)cc1F 78336346 AVOATJDAYLVPSD-GFCCVEGCSA-N 366.396 4.242 0 40 FIAB CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@H]3c3ccccn3)cc12 79722950 KKXIKLPQDVVINH-HNNXBMFYSA-N 354.479 4.131 0 40 FIAB CCO[C@@H]1C[C@@H](N[C@@H](C)c2sc(CCOC)nc2C)C12CCCC2 92753723 VSACRZXFFBFASW-NUEKZKHPSA-N 352.544 4.029 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CCO[C@H](C)C3)cc2)nc1 95458237 OZLDIXGHGUPOKQ-HZPDHXFCSA-N 355.438 4.119 0 40 FIAB COc1ccc(-n2cnc3c2[C@@H](c2cccc(O)c2)SCC(O)=N3)cc1 95475806 CQNQPFNOPDJDIR-GOSISDBHSA-N 367.430 4.011 0 40 FIAB O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1cccc(O)c1 95481892 YTDFPWVIJBYXPM-UHFFFAOYSA-N 357.797 4.057 0 40 FIAB O=C(Cc1cccc2ccccc12)N1CCC([C@H](O)c2ccccc2)CC1 96997596 CBZUPKWKTXOASO-XMMPIXPASA-N 359.469 4.355 0 40 FIAB Cc1nc2ccccn2c1C(=O)N1CCS[C@H](c2ccccc2F)CC1 219109211 NATVXHXPNYJGCX-KRWDZBQOSA-N 369.465 4.102 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 219551531 NMOUCBQMDFJFGK-QFBILLFUSA-N 371.477 4.355 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222852960 XLDQQBYEOGLMTM-RTBURBONSA-N 354.523 4.379 0 40 FIAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCC1=CCCCC1 222905957 ABQDZQUBGPPSFJ-QGZVFWFLSA-N 374.500 4.350 0 40 FIAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)CCC2 223186235 QHYQVZJUBTUYOU-HNNXBMFYSA-N 351.471 4.368 0 40 FIAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1Cc1ccccc1 223369579 JIGGEYPVXWPKSD-ZWKOTPCHSA-N 351.500 4.316 0 40 FIAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(N2CCCC2=O)c1 225240590 BDNLROAVALDNKS-QGZVFWFLSA-N 364.489 4.300 0 40 FIAB CC(C)Sc1nnc(NC(=O)CSCc2ccc(F)cc2)s1 225476112 ZZVVVNKAZLUWBJ-UHFFFAOYSA-N 357.501 4.050 0 40 FIAB COc1ccc(CCCNC(=S)Nc2ccc(OC)c(Cl)c2)cc1 225556369 HTFKESYCCDUYHU-UHFFFAOYSA-N 364.898 4.276 0 40 FIAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 225610212 GZVWOZWCGYJMIW-HNNXBMFYSA-N 373.758 4.092 0 40 FIAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)cc1 225735590 IAJOSUAXYNIUMF-HXUWFJFHSA-N 351.487 4.272 0 40 FIAB O=C(CC1CCCCC1)N1CCC[C@@H]1c1cccc(Nc2nncs2)n1 257330734 XPRGTADSROQDRD-MRXNPFEDSA-N 371.510 4.311 0 40 FIAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(C)c2OC)c1 408621820 OGRJVXNQRSYUMS-GFCCVEGCSA-N 372.490 4.350 0 40 FIAB CCCN1C(=O)S/C(=C\c2ccc(OC(F)F)c(OCC)c2)C1=O 409362846 SUESWDJKGXYUMG-LCYFTJDESA-N 357.378 4.133 0 40 FIAB O=C(c1cccc2c1OCCO2)N1CC2(CCCC2)c2c(F)cccc21 500130861 ASJNYAYFOSSNAY-UHFFFAOYSA-N 353.393 4.069 0 40 FIAB CCc1c(C(=O)Nc2ccc(C(=O)NC)cc2)oc2cc(C)c(C)cc12 526052156 ALBRRAWMGQGLDF-UHFFFAOYSA-N 350.418 4.224 0 40 FIAB Cc1occc1-c1nn2c(CSCCc3ccccc3)nnc2s1 1501039869 CDLJYYBCGFALMY-UHFFFAOYSA-N 356.476 4.230 0 40 FIAB CCN(CC)CCC[C@@H](C)Nc1cc(OC)c2nc(C)ccc2c1OC 1563138 BVZKGKZHIUQDIN-OAHLLOKOSA-N 359.514 4.483 0 40 FIAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(Cl)c(Cl)c1 1972503 UIVRBGPDSPIXDI-RMKNXTFCSA-N 350.201 4.189 0 40 FIAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 2794109 CJKYOJFCHAANLM-WBMJQRKESA-N 365.399 4.040 0 40 FIAB COc1ccc(CCNC(=O)CSc2cc(Cl)ccc2Cl)cc1 3376788 YNBCVTZLXAAMBS-UHFFFAOYSA-N 370.301 4.453 0 40 FIAB C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl 3393013 NNCLEBRNYJSEIK-SECBINFHSA-N 356.180 4.317 0 40 FIAB COc1ccc(OC)c(-c2cc3ccc(OC(=O)C(C)C)cc3oc2=O)c1 4085037 ZFROAEVQZGIVKQ-UHFFFAOYSA-N 368.385 4.039 0 40 FIAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4104863 IEEUFWOXVCPGAH-QGZPSTLZSA-N 374.521 4.057 0 40 FIAB biogenic,in-vitro CC(=O)c1cc(Cl)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 4283661 YKVWDDVRHQJTJL-UHFFFAOYSA-N 361.869 4.006 0 40 FIAB CO[C@@H]1O[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C[C@H]1NC(=O)c1ccccc1 4531120 DIXAXVFFZZXUJB-KHYDEXNFSA-N 365.473 4.130 0 40 FIAB CC(=O)N[C@H]1CCCC[C@H]1c1ccc([C@H]2CCCC[C@@H]2NC(C)=O)cc1 4995125 HOAWBXFLPWAFLR-LRSLUSHPSA-N 356.510 4.011 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)(C)C)cc2)cc1 5103175 WUUBHBNHBJRYOD-OAHLLOKOSA-N 367.445 4.371 0 40 FIAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1 5256033 QBTZUNJSJAFMEC-HXUWFJFHSA-N 365.408 4.273 0 40 FIAB Cc1cccc(C)c1NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 5420247 KEGCWEQWHICVAF-UHFFFAOYSA-N 372.468 4.190 0 40 FIAB Fc1ccc2c(c1)C(c1cccnc1)=NNC(c1ccc(Cl)cc1)=N2 6445078 LKSYJTNGGWKBMY-UHFFFAOYSA-N 350.784 4.308 0 40 FIAB C/C=C/c1ccc(OCC(=O)N[C@H]2CCSc3ccccc32)c(OC)c1 6654245 LXOOORZVTAVIHQ-ZVVFDCPKSA-N 369.486 4.460 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)C 8041023 NIWCFPFGSVLABN-SFHVURJKSA-N 374.868 4.274 0 40 FIAB Cc1cccc2nc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cn12 8278067 UDRGFUJNMMSGRN-UHFFFAOYSA-N 373.441 4.271 0 40 FIAB CCOc1ccc(C(C)=O)cc1COC(=O)/C=C/c1ccccc1OC 8324830 DEQSFWICRSWPCY-ZRDIBKRKSA-N 354.402 4.053 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c1 8479239 DNBKRBBCFOCOSN-ZDUSSCGKSA-N 361.825 4.149 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(F)cc(F)c2)c1 10665208 MXYDQRAKNJWOTA-UHFFFAOYSA-N 374.416 4.223 0 40 FIAB O=C1CC[C@@]2(C(=O)OCc3cccc(Cl)c3)Sc3ccccc3N12 10672975 MZPGPDXJJAJLEG-SFHVURJKSA-N 359.834 4.012 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1 10684127 LOROTRWFTCICQV-INIZCTEOSA-N 368.477 4.356 0 40 FIAB O=c1c2sccc2nc(SCCc2ccccn2)n1-c1ccccc1 10912125 QROBLXGEYNXEAF-UHFFFAOYSA-N 365.483 4.177 0 40 FIAB Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 11999835 WELGHKHSDRWMIS-UHFFFAOYSA-N 366.486 4.390 0 40 FIAB Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2scnc2C)cc1C 12145617 IVNLJULBFUDFBB-KRWDZBQOSA-N 366.490 4.061 0 40 FIAB CCOC(=O)c1cc(CC)nc2c1c(C1CC1)nn2-c1ccccc1F 12399117 DFSQNOISNRILDU-UHFFFAOYSA-N 353.397 4.176 0 40 FIAB COc1ccc2nc(-c3nn4c(-c5cccs5)nnc4s3)ccc2c1 12407791 FVUBJSPKTWMFRK-UHFFFAOYSA-N 365.443 4.138 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCn1cnc2ccccc21 12490345 RMSALDXYTZNKDU-UHFFFAOYSA-N 371.868 4.054 0 40 FIAB CCOc1ccc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)n[nH]2)cc1 12600004 DWCMAZRCSVSAEU-NSHDSACASA-N 374.491 4.051 0 40 FIAB C/C=C/c1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(OC)c1OC 12756682 LLIKTMPWYPSIBA-AATRIKPKSA-N 352.390 4.439 0 40 FIAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)Cc4ccccc4)[C@H]3C=C12 12866862 OFXZQIJQJISEJF-FEJROSIGSA-N 353.506 4.433 0 40 FIAB biogenic CC(=O)c1cccc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c1 12987236 YTTPAJLTEDBMLK-HXUWFJFHSA-N 357.837 4.189 0 40 FIAB CCC[C@@H]1C(=O)C[C@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 13786535 XVELDBZHBLEZHS-SJBKTWHCSA-N 353.462 4.465 0 40 FIAB O=C(CCCc1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 14159441 GZEYOWVPAXXKSS-UHFFFAOYSA-N 363.486 4.459 0 40 FIAB biogenic COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc(OC)c1OC 14188300 JBEQEXDSDQUTLT-MUAYPFOZSA-N 373.424 4.084 0 40 FIAB C[C@H](Sc1nc(/C=C/c2cccs2)n[nH]1)C(=O)N(C)c1ccccc1 14189540 MWKJPCMVURUIAE-NHAQELONSA-N 370.503 4.180 0 40 FIAB Cc1cc(C)c2nc(NC(=S)NC(=O)/C=C/c3ccco3)sc2c1 14257667 LEEWUEIDUIQJNB-AATRIKPKSA-N 357.460 4.033 0 40 FIAB COc1cc2c(cc1O)C(=O)[C@H](C)[C@H](C)[C@@H]2c1ccc(OC)c(OC)c1 14726858 DRKPZVVNEGETTG-XXRNEEKGSA-N 356.418 4.018 0 40 FIAB biogenic,in-vitro COc1ccc(NC(=O)[C@H](N[C@@H](C)C2CC2)c2ccccc2)cc1Cl 15504402 IQGAIIHSUQCELO-ORAYPTAESA-N 358.869 4.417 0 40 FIAB CCOCCCNC(=S)Nc1cc2oc3ccccc3c2cc1OC 16237646 MRWUPQYCVBHIBU-UHFFFAOYSA-N 358.463 4.308 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NC2CCCCCC2)c(C)c1Br 16780118 ZEPUDJHSUMBYNP-UHFFFAOYSA-N 374.344 4.375 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 18104592 KGRXXUMHXQYQDQ-UHFFFAOYSA-N 373.456 4.426 0 40 FIAB O=C(NCc1ccc(F)cc1)[C@@H](Sc1ccccn1)c1ccccc1 19926805 WQMWCIRWJKCCEP-IBGZPJMESA-N 352.434 4.371 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 20722800 HLFISSGDOSZDSK-UGKGYDQZSA-N 364.489 4.360 0 40 FIAB O=C(c1csc2c1CCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 22008313 FAYUSEIKVRQSNK-KRWDZBQOSA-N 369.486 4.375 0 40 FIAB COc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(OC)c1 23116017 UVPQWFNKHWPWOL-UHFFFAOYSA-N 363.417 4.019 0 40 FIAB CC(C)CCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 24976335 QYPHGIBPCWHCKT-YLRAVNRJSA-N 362.558 4.039 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)c1cccnc1N1CCCC1 25323390 MSDOEJKYGLROHW-UHFFFAOYSA-N 365.458 4.162 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1ccccc1N1CCc2ccccc2C1 25799331 QHSMQPAKDHMVEU-UHFFFAOYSA-N 361.445 4.035 0 40 FIAB O=C(Nc1ccccc1NC(=O)c1cc(-c2ccco2)[nH]n1)c1ccccc1 25877174 KNRQKCITUVZUOK-UHFFFAOYSA-N 372.384 4.174 0 40 FIAB O=c1oc2ccccc2n1CCN(Cc1c(F)cccc1Cl)C1CC1 26908316 BQPVXDZUGGMLHG-UHFFFAOYSA-N 360.816 4.052 0 40 FIAB CCOc1ccc(-c2cncnc2NC(=S)Nc2ccccc2)cc1 26952966 PZZZMVZPGRAKDI-UHFFFAOYSA-N 350.447 4.351 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 28340843 ZZNYWYZNFUQJJU-UHFFFAOYSA-N 352.862 4.234 0 40 FIAB Cc1nn(C)c(Cl)c1C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 30391694 BHNOQWLBLHNCCU-UHFFFAOYSA-N 373.815 4.352 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)Nc1nnc(C2CC2)s1 32517769 BHCGWHYCVNCBJW-CSKARUKUSA-N 355.394 4.467 0 40 FIAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCCn3ccc(C)n3)n2)cc1 36618643 UMGJXLZDGCOQHQ-UHFFFAOYSA-N 361.371 4.088 0 40 FIAB CC(C)c1nc2cc(NC(=O)c3cccc(N4CCCC4=O)c3)ccc2o1 40081692 GDVCQOSNQXNZGD-UHFFFAOYSA-N 363.417 4.330 0 40 FIAB O=C(NCCCOCc1ccco1)Nc1cccc(-c2nccs2)c1 40157242 ZEXNVKUAZMGDOO-UHFFFAOYSA-N 357.435 4.132 0 40 FIAB CCCN(CCC)C(=O)c1ccc(NC(=O)NCc2csc(C)n2)cc1 47599735 LZNBZNMLOWCFSA-UHFFFAOYSA-N 374.510 4.035 0 40 FIAB Cc1ccc(Cn2ncc3c(C(=O)NC(C4CC4)C4CC4)cc(C)nc32)cc1 48287453 OAWCLLQUVOXXBY-UHFFFAOYSA-N 374.488 4.015 0 40 FIAB CN(C)c1cc(C(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)ccn1 58402479 JPLNAHGMNYTLAV-QFIPXVFZSA-N 371.440 4.413 0 40 FIAB CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)OCO2 58406005 WSGLWGPFPKRWLJ-UONOGXRCSA-N 357.793 4.014 0 40 FIAB CCCC1=NN(C(=O)c2ccc(Br)cc2)[C@](O)(C(C)(C)C)C1 59392617 YTJYWPPGDSLXPL-QGZVFWFLSA-N 367.287 4.186 0 40 FIAB Cc1ccc(-c2nnco2)cc1NC(=O)C(=O)c1ccc(C(C)(C)C)cc1 64291833 CCWCBVYXQWAMMA-UHFFFAOYSA-N 363.417 4.164 0 40 FIAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 65477681 VMQRBMPIIVSEOZ-KRWDZBQOSA-N 357.841 4.283 0 40 FIAB CCc1cc2c(N3CCC(Nc4ccc(F)cc4)CC3)ncnc2s1 65487553 SYRLSEQIGCZLTR-UHFFFAOYSA-N 356.470 4.474 0 40 FIAB O=C(Nc1ccc2oc(=O)ccc2c1)N1CCCCC[C@H]1c1ccncc1 68608384 DDNAJPCDRCBCOM-SFHVURJKSA-N 363.417 4.337 0 40 FIAB COc1cc(Cl)ccc1-c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890674 FWIKRAXTQAIJOO-UHFFFAOYSA-N 368.780 4.479 0 40 FIAB Cc1ccc(NC(=O)CC2(C(=O)NCc3ccc(F)cc3)CCCC2)cc1 72273141 NCHJNUMOJKMBIR-UHFFFAOYSA-N 368.452 4.340 0 40 FIAB O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 75165977 OCWDSBUMWJLWAD-WBAXXEDZSA-N 360.429 4.158 0 40 FIAB Clc1cc(CSc2nnc(Cc3ccccc3)o2)cc2c1OCO2 84544509 PRMRBJNCVPWGHD-UHFFFAOYSA-N 360.822 4.335 0 40 FIAB O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)C1(c2ccccc2F)CC1 89813350 HIOJZERMPYINLW-INIZCTEOSA-N 368.235 4.014 0 40 FIAB Cc1ccc(C)c2sc(N3CC(OC(=O)c4c(F)cccc4F)C3)nc12 90608024 FWGSWOTUNNDWIW-UHFFFAOYSA-N 374.412 4.237 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1cccc(F)c1)c1ccccc1 95116763 SDOOHTCNHZNGLV-UHFFFAOYSA-N 359.404 4.154 0 40 FIAB CN(c1ccccc1)c1ccc(CNc2cc(Cl)nc(N)n2)cc1F 95360856 JBINCYGNNPVESJ-UHFFFAOYSA-N 357.820 4.231 0 40 FIAB CS(=O)(=O)c1ccc([C@H](O)CSCc2cccc3ccccc23)cc1 95957051 XSMYYBWISDVXCR-HXUWFJFHSA-N 372.511 4.210 0 40 FIAB CO[C@@H]1CCN(c2ccc(NC(=O)C3(c4cccs4)CCCC3)cc2)C1 96122225 JGSOLVZYEUKQHZ-GOSISDBHSA-N 370.518 4.424 0 40 FIAB CCOc1ccc(S(=O)(=O)Oc2ccnc3ccc(Cl)cc23)cc1 96305757 ONFNUODQLXAZCV-UHFFFAOYSA-N 363.822 4.055 0 40 FIAB O=C(CC1CCCC1)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 100155851 GKRBHYGOZIDQDT-CALCHBBNSA-N 368.481 4.102 0 40 FIAB O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100599184 AUBASQUVLJYPAO-PTUXOGIPSA-N 374.528 4.151 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)NCCCc1cccc(OC(C)C)c1 222862908 OYVSQFOYPZSQBP-NRFANRHFSA-N 355.478 4.380 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)OC 223007196 UIGNKONQYQQJDO-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 224351888 QYWLPCDPVZTKBI-VQTJNVASSA-N 362.502 4.160 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)c(F)c4)OCC[C@@]31C2 257237025 HEWBOKBXLMHVQD-KOWPUWFMSA-N 363.448 4.373 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H]1c1ccc(-c2c(C)noc2C)cn1 257295885 RAGZQURCSTZOEY-INIZCTEOSA-N 368.462 4.096 0 40 FIAB Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2Cc2ccc(F)cc2)n1 257304116 SKDQLHKDLRPKPP-HXUWFJFHSA-N 365.456 4.052 0 40 FIAB CCCCC(=O)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 408624022 ANFLOYXAUMHHHV-UHFFFAOYSA-N 367.474 4.176 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]21)c1ccccc1 409370617 CBNRHVGMYKICCW-CZAYHTPWSA-N 355.437 4.077 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cc1 585148269 VEUPWWYOSJRAQY-OAHLLOKOSA-N 373.499 4.339 0 40 FIAB Cc1ccc(C(=O)C2CCN(Cc3cc(C(=O)O)sc3C)CC2)cc1 652398876 DHHCDBOZHBGEFD-UHFFFAOYSA-N 357.475 4.158 0 40 FIAB CCN(C(C)=O)c1ccc(NC(=O)N2CCC3(CCCCC3)CC2)cn1 667522088 UTDVPYOOEPYCKI-UHFFFAOYSA-N 358.486 4.033 0 40 FIAB COc1cccc(CN2CCC[C@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 2037988769 HRLGCDJXLKZPBH-QFIPXVFZSA-N 369.484 4.253 0 40 FIAB CCC(=O)Nc1sc(C(=O)Nc2cc(C)ccc2C)c(C)c1C(=O)OC 676545 PIBQNYGMAXUYRF-UHFFFAOYSA-N 374.462 4.061 0 40 FIAB CNC(=O)[C@]12CC[C@](C)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C 703809 QCZNTSNVOUYNDH-MSOLQXFVSA-N 364.276 4.012 0 40 FIAB COc1ccc2c(c1)O[C@@H](c1cc(Cl)cc3c1OCOC3)[C@@H](C)C2=O 940975 JQPMWDLFVQEUQQ-XTZNXHDOSA-N 360.793 4.168 0 40 FIAB Cc1ccc(-c2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)cc1 2334040 DHIAUQNRPQRCSQ-UHFFFAOYSA-N 350.447 4.166 0 40 FIAB COc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC 2335174 VBFKTJMXEUDBJD-UHFFFAOYSA-N 372.837 4.190 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2364792 JZDPOFUDLBUNDE-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 2735116 IAZWNNACOSEBDJ-IBGZPJMESA-N 356.897 4.211 0 40 FIAB CCOP(=O)(OCC)[C@H](NC(=O)c1cccs1)c1ccccc1 3197518 AKEWZEDBRMIIDI-INIZCTEOSA-N 353.380 4.443 0 40 FIAB O=C(O[C@@H]1CCOC1=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3281068 MWBVXPJIXVJSTI-CQSZACIVSA-N 373.817 4.089 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccccc2C(C)C)cc1 3416964 ACFMQNZEFSOBOS-KNQAVFIVSA-N 369.505 4.395 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)c(C)c1 3479244 LSTUYVJXCQYFQX-CQSZACIVSA-N 368.458 4.406 0 40 FIAB CCOc1ccccc1-n1nnnc1SCc1c(F)cccc1Cl 3496985 LYEDJXHCHGIUNJ-UHFFFAOYSA-N 364.833 4.146 0 40 FIAB O=C(CSc1nnc(Nc2ccccc2)s1)NCCC1=CCCCC1 3530647 UQCHQMBHWVMYDN-UHFFFAOYSA-N 374.535 4.381 0 40 FIAB CCCCNC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 4132650 ICICXEBIPRJTLS-UHFFFAOYSA-N 371.550 4.256 0 40 FIAB CC(C)(C)c1ccc(OCc2nn3c(-c4ccncc4)nnc3s2)cc1 4384045 LRTCHZZRVSAKRF-UHFFFAOYSA-N 365.462 4.124 0 40 FIAB CCOc1ccc(CN(C)C(=O)CSc2nc3ccccc3s2)cc1 5035098 SMADMPVSHBCFKB-UHFFFAOYSA-N 372.515 4.446 0 40 FIAB CC[C@@](C)(CCNC(=O)CCOc1ccccc1O)c1ccccc1OC 5265960 XNLNPUDXBDFPCT-QFIPXVFZSA-N 371.477 4.044 0 40 FIAB Cc1c(Cl)ccc2c(Nc3ccc(C(=O)O)cc3)c(C(=O)O)cnc12 5510742 PGZAAQXAGKTSKE-UHFFFAOYSA-N 356.765 4.337 0 40 FIAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1 5642603 IZAJVLBYLZXLCA-HNNXBMFYSA-N 365.886 4.378 0 40 FIAB COc1ccc([C@@H]2SCC(=O)N2CCOc2ccc(Cl)cc2)cc1 5720596 BSQHZXCBZSCTLN-SFHVURJKSA-N 363.866 4.002 0 40 FIAB COc1ccc(CNC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1 6851185 YRUZMMCWUNHJDX-UHFFFAOYSA-N 361.869 4.476 0 40 FIAB CCOc1ccc(NC(=O)CSc2ccc(-c3cccs3)nn2)cc1 6858766 QMBNGGZDMRQTBW-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB CCOc1cccc2cc(C(=O)Nc3nc4ccccc4s3)c(=O)oc12 6933680 GVHWSJMIEZKHTL-UHFFFAOYSA-N 366.398 4.054 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1C 7236412 IALOWMCHEPRKNT-ZDUSSCGKSA-N 367.474 4.236 0 40 FIAB Cc1c(NC(=O)C2CCC(C(C)(C)C)CC2)c(=O)n(-c2ccccc2)n1C 7598562 JWWVEQZUZQFNMJ-UHFFFAOYSA-N 369.509 4.275 0 40 FIAB Cc1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1Cl 7602656 NAIVMHLOQREGKC-UHFFFAOYSA-N 360.870 4.225 0 40 FIAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(OC(C)C)cc3)CC2=O)cc1 8085754 CTOSVVLIAZXGMH-QGZVFWFLSA-N 366.461 4.028 0 40 FIAB O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ncn(-c2ccccc2)n1 8715346 RDDZBMYIXLJFQG-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nncn2CCc2cccs2)cc1 8761880 HFOABKXDOJLMTM-CQSZACIVSA-N 372.519 4.010 0 40 FIAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1 8903590 LITZLKRKKKPRAQ-UHFFFAOYSA-N 358.394 4.253 0 40 FIAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccs3)ccc21 8959065 CZNUVWOJOSYEOT-UHFFFAOYSA-N 372.490 4.408 0 40 FIAB Cc1cccc(C)c1-n1nnnc1SCC(=O)c1ccc(C(C)C)cc1 9113546 RBBNFLHLGFBEBA-UHFFFAOYSA-N 366.490 4.378 0 40 FIAB O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc(F)cc1 9318123 PKRXUANONKHENC-GFCCVEGCSA-N 357.772 4.050 0 40 FIAB COc1ccc([C@H](NC(=O)CN2CCc3sccc3[C@@H]2C)C(C)C)cc1 10227235 GEVFUEGOLHSNEB-YCRPNKLZSA-N 372.534 4.189 0 40 FIAB CCc1ccc(N2C[C@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1 10336573 REPBTNORSAQBFQ-OAHLLOKOSA-N 367.836 4.473 0 40 FIAB CCOc1ccc(C(=O)Nc2nc3ccccc3n2CC)cc1OCC 10651529 KTFIJBXKILELDR-UHFFFAOYSA-N 353.422 4.106 0 40 FIAB O=C(N1CCC(c2cccnc2)CC1)C1(c2cccc(F)c2)CCCC1 12114012 IINABBTVFFLPJO-UHFFFAOYSA-N 352.453 4.439 0 40 FIAB Cc1nn(CCC(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)c(C)c1C 12162165 USNVHTQNRMTAQB-MQFRRQCYSA-N 365.521 4.287 0 40 FIAB COc1ccc(CN(Cc2c(C)oc3ccccc23)C[C@@H](C)O)cc1OC 12185523 IGBGSHSQATVZLB-OAHLLOKOSA-N 369.461 4.141 0 40 FIAB COc1cccc(NC(=O)c2cnc3c(C(F)(F)F)cccc3c2O)c1 12421859 ZLLVDSULZPUPPB-UHFFFAOYSA-N 362.307 4.220 0 40 FIAB Cc1ccc2nc(CSc3n[nH]c(/C=C/c4ccc(F)cc4)n3)cn2c1 12532369 NUWWYXOVIGSCMW-VMPITWQZSA-N 365.437 4.363 0 40 FIAB COc1ccc(NC(=O)c2sc(C)nc2-c2ccccc2)c(OC)c1 12567305 HCTVWEOVNJATMN-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB Cc1c(Cl)cccc1Nc1nnc(S[C@H]2C[C@H](C)OC2=O)s1 12585196 ZSEUMVHTKQMOFF-CPCISQLKSA-N 355.872 4.040 0 40 FIAB CCOc1ccccc1C(=O)NCc1ccc(-c2csc(C)n2)cc1 12614397 SPNVNGMGLRZZIJ-UHFFFAOYSA-N 352.459 4.447 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 12778761 DDQAODLITQYTBY-QGZVFWFLSA-N 352.478 4.172 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)c3ccc(-c4ccccc4)nc3C)ccc21 12779601 QFOCGWMDCKHXPX-UHFFFAOYSA-N 371.440 4.218 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccccc3OC)cs2)cc1 12897783 BFQQNKQGAWJWIJ-CYBMUJFWSA-N 368.458 4.318 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc2c(c1)OCO2 13692502 AAWIVYDZRXRIAE-UHFFFAOYSA-N 356.378 4.239 0 40 FIAB S=C(Nc1ccc(Cl)cc1Cl)N1CCN(Cc2ccco2)CC1 13769455 JGROEFOTKHHERD-UHFFFAOYSA-N 370.305 4.101 0 40 FIAB COc1cc(SC)ccc1C(=O)Nc1ccc(NC(C)=O)c(Cl)c1 14122513 QMDNDSRWRYZFDG-UHFFFAOYSA-N 364.854 4.281 0 40 FIAB O=c1nc(SCc2ccc(F)cc2)c2c(n1-c1ccccc1)CCC2 15840397 KLDIGOUNMFQMCC-UHFFFAOYSA-N 352.434 4.153 0 40 FIAB CCOc1cc(C)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1C(C)C 18066039 HPQVFISLHCRDBM-GASCZTMLSA-N 353.528 4.184 0 40 FIAB O=C(NCc1ccccc1)c1cccnc1NCc1ccccc1Cl 19372685 YEMOVTHUWPUXRH-UHFFFAOYSA-N 351.837 4.277 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)cc1OC 20029719 JINIFROJARTXBZ-NSHDSACASA-N 353.340 4.214 0 40 FIAB CCCCc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 20134607 XXIRJUGUYOXACK-UHFFFAOYSA-N 359.271 4.416 0 40 FIAB Cc1ccc(-c2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)no2)cc1 21800545 LDXGJFZENSUAAN-UHFFFAOYSA-N 365.433 4.360 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(C)cc2)c1 22913028 FMWQXGUSVSDWLS-LSDHHAIUSA-N 359.491 4.370 0 40 FIAB Fc1ccc(-c2csc(N3CCN(Cc4ccccc4)CC3)n2)cc1 26416572 HTTZUZVADVLFBW-UHFFFAOYSA-N 353.466 4.271 0 40 FIAB CCCOc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 27793040 PGIDVVULWZZIFD-JOCHJYFZSA-N 366.505 4.351 0 40 FIAB Cc1nn(-c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1Cl 27925133 OBIWVGRHZVTYGT-UHFFFAOYSA-N 367.883 4.005 0 40 FIAB CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 32978678 ITIJOHGVCKROIB-STQMWFEESA-N 354.475 4.173 0 40 FIAB NC(=O)c1cc(Cl)ccc1OCc1csc(-c2ccc(F)cc2)n1 36648498 CILGQMIQIKZACV-UHFFFAOYSA-N 362.813 4.281 0 40 FIAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(Br)cc1 37790832 UOJBWIMRSDHTLU-SNVBAGLBSA-N 354.194 4.088 0 40 FIAB COC(=O)c1cc(Nc2ccc(OC)cc2OC)c2cccc(C)c2n1 38487145 JXGXGFOWEWKITD-UHFFFAOYSA-N 352.390 4.091 0 40 FIAB CCc1cccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)c1 40128706 JMSDBASNKINBSW-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB CCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc12 41095239 JDBDOFMTBDMING-MAUKXSAKSA-N 361.507 4.486 0 40 FIAB Fc1ccc(OCc2noc(CN3CCC[C@@H]3c3ccsc3)n2)cc1 46089210 FFPVSXMFCIAISC-MRXNPFEDSA-N 359.426 4.186 0 40 FIAB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccsc1 48264375 GPIBGGQWYNAGIK-MGPUTAFESA-N 367.518 4.114 0 40 FIAB O=C(OCc1nc2ccccc2o1)c1cccnc1Nc1cccc(F)c1 51744317 RDPKFTRWQIWJLN-UHFFFAOYSA-N 363.348 4.463 0 40 FIAB O=S(=O)(c1ccccc1)c1ccc(Oc2cnc3ccccc3n2)cc1 54060541 QEJWXWOATQOMDC-UHFFFAOYSA-N 362.410 4.255 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2cccc(Cl)c2)[nH]n1 57413754 VBEOBABSRQYSNH-UHFFFAOYSA-N 364.836 4.184 0 40 FIAB CCN(C(=O)COc1ccc(Br)cc1F)c1cccc(C)c1 58161534 IBLGDFNDUQDQKZ-UHFFFAOYSA-N 366.230 4.329 0 40 FIAB Cc1nc(-c2cccc(NC(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)c2)no1 64544731 SJZGUUNYUHXGPF-KGLIPLIRSA-N 368.359 4.288 0 40 FIAB O=c1cc(CNc2cccc(COC3CCCCC3)c2)nc2sccn12 71833182 GNXJYGWFKHFSHN-UHFFFAOYSA-N 369.490 4.217 0 40 FIAB COc1cccc(-c2cc(-c3cccc(Br)c3)nc(N)n2)c1 71977898 YPNOQYXYXKUISG-UHFFFAOYSA-N 356.223 4.164 0 40 FIAB CC[C@@H](C)Nc1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213409 GUKXKLXWYDJDDO-VQIMIIECSA-N 373.522 4.126 0 40 FIAB CCN(CC)C1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)CC1 72272927 SUFQGFHZZLXUAN-QGZVFWFLSA-N 360.542 4.084 0 40 FIAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(-c3cccc(CO)c3)n2)C1 72349634 AGJZYQNJJPPKCR-HXUWFJFHSA-N 364.489 4.137 0 40 FIAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1 72369945 UOYANZAEXYWYSI-OAHLLOKOSA-N 355.388 4.313 0 40 FIAB CCN(CCO)c1nc(-c2ccsc2)nc2sc3c(c12)CCCC3 75136746 DOCNODXWEPEDGR-UHFFFAOYSA-N 359.520 4.117 0 40 FIAB O=C([C@H]1CCCc2ccccc21)N1CCC(c2c[nH]c3ncccc23)CC1 76332114 RMKMYBPTRBSDIN-FQEVSTJZSA-N 359.473 4.389 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3cc(-c4n[nH]c(C)n4)ccc3C)[nH]n2)cc1 79013646 CCDBQGOQNWJHCF-UHFFFAOYSA-N 372.432 4.039 0 40 FIAB Cn1cc(-c2cccs2)nc1CCNC(=O)Nc1ccccc1Cl 85471223 YYTQIFRGLFEXQO-UHFFFAOYSA-N 360.870 4.166 0 40 FIAB CN(C)c1ccccc1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89326822 BDHVAKGVIPCNOT-MRXNPFEDSA-N 359.857 4.091 0 40 FIAB CC(C)Oc1ccc2ccccc2c1CNc1ccc(N(C)CCO)cn1 89890881 WJQLKDPFQRQSNR-UHFFFAOYSA-N 365.477 4.063 0 40 FIAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)N1C[C@@H](C)c2ccccc21 95350361 OZFBNQGWCPFQDD-KGLIPLIRSA-N 372.465 4.036 0 40 FIAB CCOc1ccc(CCNC(=O)CCCc2ccccc2)cc1OCC 107535734 RRYZDOCABMWEQG-UHFFFAOYSA-N 355.478 4.166 0 40 FIAB CC1(C)CCCN1C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 108525440 ITTIRKDSDZJCBY-UHFFFAOYSA-N 372.490 4.067 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1C 219524372 HPIAJVNHPJZOCD-LJQANCHMSA-N 366.505 4.030 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223131646 OMQWGSAEBGPEON-UHFFFAOYSA-N 362.410 4.488 0 40 FIAB COC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224236536 ODDAPJYLPXIAJN-INIZCTEOSA-N 371.477 4.162 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2nnc(-c3ccccc3)s2)c1 224499378 UVWUDTXZKMDXRI-CQSZACIVSA-N 353.447 4.228 0 40 FIAB COc1ccc(OC)c(C[C@@H](Sc2ccc(Cl)cc2)C(=O)O)c1 225116246 MOYMPBRVASTKFB-MRXNPFEDSA-N 352.839 4.145 0 40 FIAB Cc1cccnc1NC(=S)NCCSCc1cccc(Cl)c1 225301046 WYIDUNDHXUOYOO-UHFFFAOYSA-N 351.928 4.263 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(C(F)(F)F)c1 225518246 AOSXBCASGBEBGM-HNNXBMFYSA-N 355.331 4.318 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(F)cc1 225686124 MHPGSNIWGXSHGO-INIZCTEOSA-N 360.454 4.423 0 40 FIAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225738386 BROLPPWTPNLMRB-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB Cc1ccc(CCCNC(=O)COc2cccc(C(F)(F)F)c2)cc1 225811574 ADMIDOICHHPWNA-UHFFFAOYSA-N 351.368 4.142 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)cc1C 225884813 LHNHEBYNMNUJJT-GOSISDBHSA-N 361.507 4.358 0 40 FIAB CCOc1ccc(NC(=O)c2cc(Br)ccc2Cl)c(N)c1 226347463 HLSMUBIFGXTHPB-UHFFFAOYSA-N 369.646 4.336 0 40 FIAB Cc1nscc1C(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 512064383 OBEBCWIKHBCTTN-UHFFFAOYSA-N 360.385 4.452 0 40 FIAB CCC[C@@]1(CO)CCN(C(=O)c2cc(C3CC3)nc3cc(C)cc(C)c23)C1 585085132 JYVWMZBKTMPLBQ-HSZRJFAPSA-N 366.505 4.354 0 40 FIAB c1ccc(-c2cnc(Nc3cccc(C[C@H]4CCCNC4)n3)s2)cc1 585262995 HCEHMSAEKRHLHG-OAHLLOKOSA-N 350.491 4.491 0 40 FIAB O=C(CCc1ccon1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 618961001 LIJBJZJDQVFGNZ-IBGZPJMESA-N 372.877 4.496 0 40 FIAB COc1ccc(SCCCC(=O)NCC(C)(C)c2ccncc2)cc1 672923730 HUASYSHXGQVOJP-UHFFFAOYSA-N 358.507 4.057 0 40 FIAB COc1ccc(CNC(=O)NCCc2ccc(-c3ccco3)s2)cc1 2086896688 NQRVWHBHGDBMDE-UHFFFAOYSA-N 356.447 4.059 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 781493 ATQBDPGHSYZNSF-UHFFFAOYSA-N 369.446 4.093 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)c(OC)c1 936286 PCYOEFIPNDRMIZ-PKNBQFBNSA-N 366.442 4.479 0 40 FIAB COc1cc(C(=O)Oc2ccc(Cl)cc2Cl)cc(OC)c1OC 1041909 ZGORFLGXQSIVBE-UHFFFAOYSA-N 357.189 4.238 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)CCC3 1339937 SKGSURQJRWCFKP-UHFFFAOYSA-N 355.488 4.219 0 40 FIAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CC3)cc2c1 1364766 YWZPQXXBHRVURX-UHFFFAOYSA-N 361.445 4.341 0 40 FIAB Cc1oc2cc(OC(=O)N(C)C)ccc2c(=O)c1-c1ccc(Cl)cc1 2423706 FXDKSFKOWFKFLX-UHFFFAOYSA-N 357.793 4.482 0 40 FIAB biogenic CC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)O)cc1 3065165 BEBVRZHOSLMCDZ-UHFFFAOYSA-N 352.173 4.147 0 40 FIAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(C)n2Cc2ccccc2)cc1 3392167 LLFVCCVYZSIOBF-HNNXBMFYSA-N 351.475 4.307 0 40 FIAB Cc1ccccc1Cn1c(CNC(=O)c2ccccc2)nc2ccccc21 3896621 MPWDRGSQNCCNAE-UHFFFAOYSA-N 355.441 4.323 0 40 FIAB COc1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)ns2)c1 4167349 LGQNJIFSGLSQIQ-UHFFFAOYSA-N 371.487 4.253 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(Cl)cc1 4776888 VXKUNKAVIQTVDM-UHFFFAOYSA-N 369.273 4.194 0 40 FIAB N=C1S[C@H](c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2)s1 5017021 AVMXXESPIRVLPS-MRXNPFEDSA-N 365.483 4.490 0 40 FIAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc2ccccc2[nH]1 5263027 RUYTTYWACGLVTO-UHFFFAOYSA-N 373.412 4.159 0 40 FIAB COc1ccc(/C=C/C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 6054507 MVCAZYSDFYUXBA-YRNVUSSQSA-N 364.397 4.175 0 40 FIAB CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2c(F)cccc2F)NC(=O)N1 6202418 BIIIHAVXBZRFRJ-INIZCTEOSA-N 362.763 4.129 0 40 FIAB C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC1CC1 6364969 IUOKBIGEKOLMNC-SNVBAGLBSA-N 373.478 4.257 0 40 FIAB NC(=O)N[C@H](CC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)cc1 6602526 USOBQPGASDFPQM-GOSISDBHSA-N 367.836 4.231 0 40 FIAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2)cc1 6818788 QYJUIECNVXHFQS-UHFFFAOYSA-N 351.475 4.304 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7882010 OKKHWFOERPYELA-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)N[C@@H](C)c3ccccc3)ccc2c1 7926598 IUIMTVOALSFDNI-KRWDZBQOSA-N 362.473 4.158 0 40 FIAB COc1cc(CN(C)C(=O)C2CCCC2)ccc1OCc1ccccc1 7988921 FKUPOHVBZJRKAN-UHFFFAOYSA-N 353.462 4.423 0 40 FIAB Cc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c(O)c1 8241923 RQGHHGNVLGRYQD-UHFFFAOYSA-N 354.431 4.297 0 40 FIAB O=C1C[C@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)CN1c1ccccc1 9318010 UNJSRMBYCAGXKH-ZDUSSCGKSA-N 373.334 4.276 0 40 FIAB C[C@H]1Sc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2NC1=O 9885408 KPUJGAWASUTKFV-SECBINFHSA-N 366.364 4.390 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2cc3cccc(OC)c3o2)c1C 10443635 PMAJIHPEGWFPAO-UHFFFAOYSA-N 353.374 4.179 0 40 FIAB Cc1cc(CNC(=O)c2cccc(OCc3cscn3)c2)ccc1F 10552426 SLSSCDFNNKTMEZ-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 10674868 STHSKDSAOKVOQQ-LLVKDONJSA-N 374.289 4.432 0 40 FIAB O=C(NCCCn1cnc2ccccc21)c1ccc2c3c(cccc13)CC2 12506181 HTAIDTKQIPPDFT-UHFFFAOYSA-N 355.441 4.108 0 40 FIAB C[C@@H](Sc1nccn1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12602563 LXVWKBIJKLUDOR-SSDOTTSWSA-N 364.685 4.500 0 40 FIAB COc1cc(OC)c(NC(=O)[C@@H]2Cc3ccc(C)cc3S2)cc1Cl 12905829 UXWNGGVJASOCBN-KRWDZBQOSA-N 363.866 4.321 0 40 FIAB CCOc1ccc(-c2nc(CN3C(=O)CC4(CCCC4)C3=O)cs2)cc1 12908501 QCBKKPUXCCBVQU-UHFFFAOYSA-N 370.474 4.028 0 40 FIAB Cc1cc(Br)cnc1NC(=S)Nc1ccc(F)cc1F 13598776 IOFZOIJTWGFFDU-UHFFFAOYSA-N 358.211 4.240 0 40 FIAB COc1ccc(C(C)=O)cc1COc1ccccc1C(=O)N1CCCCC1 14019963 BOCRDVATMVYZJT-UHFFFAOYSA-N 367.445 4.103 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)c1 16297722 NSYSCMKCUHXVIB-UHFFFAOYSA-N 367.251 4.403 0 40 FIAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1C(F)(F)F 16968862 DXFZMCRFAXUESL-UHFFFAOYSA-N 363.379 4.184 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)c1 17370459 SZUBGQWYMCCCCO-INIZCTEOSA-N 371.477 4.392 0 40 FIAB Cc1cc2nc(Nc3nc(-c4ccccc4)cc(=O)[nH]3)nc(C)c2cc1C 18045315 JHLNYNWRBVBDHC-UHFFFAOYSA-N 357.417 4.049 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)CN1C(=O)c2cccc3cccc1c23 20110427 BCTKYJNXKUGXKX-UHFFFAOYSA-N 364.832 4.112 0 40 FIAB COc1ccc([C@H](CNC(=O)c2cccc3ccccc23)N2CCCC2)cc1 21911996 APQLREHTPAZSOL-QHCPKHFHSA-N 374.484 4.415 0 40 FIAB biogenic O=C(Nc1nccs1)c1ccccc1-c1ccc(Cn2cccn2)cc1 25895287 WTXFTLATRBZSDA-UHFFFAOYSA-N 360.442 4.307 0 40 FIAB CCC[C@H](NC(=O)[C@H](C)Nc1ccc(OC)cc1OC)c1ccccc1 28795634 MXGSXRLZKWSQRK-YJBOKZPZSA-N 356.466 4.162 0 40 FIAB Cc1cc(C)cc(-n2ncc3c2N=C(O)C[C@@]32C(=O)Nc3c(C)cccc32)c1 32090614 MVKINKRXDONWAD-QFIPXVFZSA-N 372.428 4.027 0 40 FIAB CC(C)c1ccc(-c2noc(COC(=O)c3cn[nH]c3C(C)C)n2)cc1 32922103 RDMVLROQXPBTDI-UHFFFAOYSA-N 354.410 4.064 0 40 FIAB C[C@H](NC(=O)c1ccccc1-n1cccn1)c1ccccc1Br 32932181 XVHMNZJWVMHGPG-ZDUSSCGKSA-N 370.250 4.126 0 40 FIAB Cc1ccccc1OCCCNC(=O)c1n[nH]c2c1C[C@@H](C(C)(C)C)CC2 35316687 XFSBORMJZNOQHY-INIZCTEOSA-N 369.509 4.068 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(OC)cc2)cc1OCC 36758821 ZGQWDNZUTAHMCK-MRXNPFEDSA-N 371.477 4.303 0 40 FIAB CCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 37385880 DNSFZOVTHBENDD-UHFFFAOYSA-N 354.269 4.202 0 40 FIAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39749601 FDHHUJPCKQZNBT-UHFFFAOYSA-N 368.496 4.095 0 40 FIAB COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCCc4ccccc43)cc2c1OC 40087714 OGEWMTQOQWSZKU-LJQANCHMSA-N 364.445 4.335 0 40 FIAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(F)cc1Cl 40161182 DFNUBWBUUMMGFE-NSHDSACASA-N 364.804 4.080 0 40 FIAB Cc1nc2cc(NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)ccc2o1 43936974 XFUDZOMPKSTYFW-OAHLLOKOSA-N 361.442 4.014 0 40 FIAB O=C(Nc1ccc(Oc2cnccn2)cc1)C1(c2cccc(F)c2)CCC1 44553078 BHUXETPILLCNFH-UHFFFAOYSA-N 363.392 4.468 0 40 FIAB S=C(NCCCN1CCc2ccccc2C1)Nc1ccccc1Cl 46103196 SVXZZWCPDIIPBI-UHFFFAOYSA-N 359.926 4.075 0 40 FIAB COc1ccc(OCCCC(=O)NCCSc2ccc(C)cc2)cc1 46836438 WSPMSEAVTZZHPX-UHFFFAOYSA-N 359.491 4.071 0 40 FIAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(O)c(Cl)c2)C1 49549044 UIUJFUILLXGELT-CQSZACIVSA-N 353.809 4.414 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 52165964 RWACFXYLNWJXPK-NRFANRHFSA-N 366.436 4.138 0 40 FIAB Cc1nc(C)c([C@@H](C)NC(=O)N[C@@H]2CCCOc3ccc(F)cc32)s1 54783097 SCONRDUCAKIQNA-IAQYHMDHSA-N 363.458 4.173 0 40 FIAB CC(=O)Nc1ccc(-c2csc(-c3cccc(C(=O)O)c3)n2)c(F)c1 58157950 IGRKFWPUBYTRQP-UHFFFAOYSA-N 356.378 4.273 0 40 FIAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCC1 58358139 QMFAUUCZYJRRLN-UHFFFAOYSA-N 350.443 4.333 0 40 FIAB O=S(=O)(c1ccc(NCCc2c[nH]c3ccccc23)cc1)C(F)(F)F 58391623 KQCRLIHNFQBWOM-UHFFFAOYSA-N 368.380 4.116 0 40 FIAB Cc1noc(C)c1CN1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 59363487 PYMWBZBDAUFPPC-KRWDZBQOSA-N 365.518 4.149 0 40 FIAB CC(C)(C)c1cn2nc(Sc3ccc4c(c3)OCCCO4)sc2n1 59420381 SSICJFIJLQVOFA-UHFFFAOYSA-N 361.492 4.401 0 40 FIAB COc1cc(C(=O)Nc2ccc(CN3CCSCC3)cc2C)ccc1C 60331474 BKTSOLBVSYAUCK-UHFFFAOYSA-N 370.518 4.113 0 40 FIAB CCN(CC)c1ccc(NC(=O)N[C@H]2CCSc3ccccc32)cn1 61472943 GATMVMSXQPMICR-INIZCTEOSA-N 356.495 4.286 0 40 FIAB CC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 62453614 VKMSVZUXZZJSIO-FQEVSTJZSA-N 369.440 4.047 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccccc3)CCOCC2)o1 71889859 SUQDVKOHRIWEMM-OAHLLOKOSA-N 368.408 4.445 0 40 FIAB CC(=O)Nc1ccc(/C=C/C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)cc1 95943435 GBBXHVBSDAIHKC-VGMNTSGFSA-N 354.494 4.477 0 40 FIAB Cc1noc(Cc2ccccc2NC(=O)c2ccc(-n3cccc3)cc2)n1 96097022 RFSLJJVZSZBBEO-UHFFFAOYSA-N 358.401 4.012 0 40 FIAB Fc1ccc(-c2cnc3n2C[C@H](CNCc2ccc(Cl)cc2)OC3)cc1 96296374 MGPSWBQREYKZFC-SFHVURJKSA-N 371.843 4.031 0 40 FIAB biogenic,in-vitro O=C1OC(c2ccc(F)cc2)=N/C1=C/C1=Cc2cc(Cl)ccc2OC1 96935637 GPZIXYJNTGHUDN-LZYBPNLTSA-N 355.752 4.142 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(OC)c(Cl)cc1OC 216340424 UUZIZHPJPNKPGT-GFCCVEGCSA-N 363.841 4.326 0 40 FIAB CNc1ccc2oc(-c3ccc(I)cc3)nc2c1 216842319 XXMUEIQEQBLWNP-UHFFFAOYSA-N 350.159 4.141 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccccc2OCc2ccccc2)cc1 218986485 WABZIYLNSAOMDM-UHFFFAOYSA-N 361.441 4.383 0 40 FIAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccc(F)cc1 219469663 PLWPOCKQYGGHNZ-UHFFFAOYSA-N 362.404 4.036 0 40 FIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)S1 222602643 PUOHFDIUCRDOIH-JVPBZIDWSA-N 364.474 4.114 0 40 FIAB CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 222637160 CGVNTVHCYHUCNG-INIZCTEOSA-N 366.870 4.016 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 222898146 NTTZIHNVKSTBOW-DYESRHJHSA-N 355.478 4.299 0 40 FIAB Cc1ccc(CNC(=S)Nc2ncc(Br)cc2Cl)cc1 223941700 ZCETYNWHXCZJOY-UHFFFAOYSA-N 370.703 4.293 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c(C)cc2N)c1 226331514 OKSJFWULTMKYEE-UHFFFAOYSA-N 353.466 4.074 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 260767661 OFLDMKVEOKGHNJ-RXVVDRJESA-N 372.553 4.104 0 40 FIAB O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc(OC(F)(F)F)cc1 390830429 LBTHUPKCQTVKMH-UHFFFAOYSA-N 362.307 4.170 0 40 FIAB Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C/[N+](=O)[O-])c1 408535285 NKHNIMMQAYDEDQ-BQYQJAHWSA-N 362.179 4.224 0 40 FIAB CCN1CCN(C(=S)c2ccccc2OCc2ccccc2Cl)CC1 408571962 DNOIAVHCLBGXNF-UHFFFAOYSA-N 374.937 4.232 0 40 FIAB O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1 408691487 ALTGLDYABNFXIS-UHFFFAOYSA-N 361.220 4.432 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NC2CCC(CC)CC2)cc1 408709938 ZRZXAWVBEKGHBK-UHFFFAOYSA-N 360.498 4.279 0 40 FIAB C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC12CCC2 548650440 FUHAPOFINDUJPJ-HNNXBMFYSA-N 356.445 4.115 0 40 FIAB CC(=O)N1CC[C@](C)(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)C1 562268811 YUYDBSPYUXWTOG-FQEVSTJZSA-N 372.852 4.329 0 40 FIAB Cc1ccc2oc(N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)nc2c1 604035042 GDJOFSMJUQSAPN-UHFFFAOYSA-N 370.840 4.040 0 40 FIAB CCC[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(Oc2ccccc2)cc1 624017684 COTOKFKFXFBSMO-NHCUHLMSSA-N 365.477 4.377 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H]4C[C@H]43)nn2-c2ccccc2)cc1 672121192 BDXBGXSAFQNOIW-DYESRHJHSA-N 373.456 4.172 0 40 FIAB O=C1CC[C@@]2(CCCN(Cc3nccs3)CC2)N1CC1CCCCC1 1565542916 FUKKSSUWERGGLX-HXUWFJFHSA-N 361.555 4.071 0 40 FIAB c1ccc(Sc2cc(N3CCCCC3)nc(N3CCCCC3)n2)nc1 1615627300 HZCPNWIELZPAIO-UHFFFAOYSA-N 355.511 4.003 0 40 FIAB CC(C)c1ccc(S(=O)(=O)N2CCSC[C@H]2c2ccccc2)cc1 1661569573 XMOYVNPZAPFJAW-IBGZPJMESA-N 361.532 4.289 0 40 FIAB C[C@H](OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)C(=O)O 2060993414 WVSVWCLUKAEJME-JTQLQIEISA-N 368.216 4.296 0 40 FIAB Cc1c(SC(F)(F)[C@@H](F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C 1069980 QQSNXCCQBJRRGW-LBPRGKRZSA-N 370.318 4.070 0 40 FIAB CCC(=O)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1366556 MJNUZMZYQDVRGG-UHFFFAOYSA-N 354.475 4.145 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccn(COc2ccc(F)cc2F)n1 2787224 XBWZOLFVWBJVLH-UHFFFAOYSA-N 357.360 4.067 0 40 FIAB C[C@@]12C[C@@H](NC(=O)N1c1ccccc1)c1cc(Br)ccc1O2 2963508 MBOOUSFWCXBLEC-RHSMWYFYSA-N 359.223 4.219 0 40 FIAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccc2ccccc2c1 3238435 HTYVWAWDQHLIIM-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB CSc1ccccc1NC(=O)COC(=O)c1cccc2ccccc12 3242064 RCEHWQACVQFPIV-UHFFFAOYSA-N 351.427 4.357 0 40 FIAB Cc1cccc(CC(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1 4033106 BNFJVEDELNYCNK-UHFFFAOYSA-N 356.429 4.194 0 40 FIAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1Cl 4682365 LWHILCBBZRXIID-UHFFFAOYSA-N 362.882 4.482 0 40 FIAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 4933273 ZMLJSKYNRAVHKW-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Cc1cccc(CC(=O)NCCc2sc(-c3ccc(F)cc3)nc2C)c1 5136999 MNHRTVXUBAXGGS-UHFFFAOYSA-N 368.477 4.467 0 40 FIAB CCOC(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 5393403 BGVLWBSWEZWZDK-MRXNPFEDSA-N 366.339 4.072 0 40 FIAB C[C@@H](OC(=O)c1ccc(C=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 5405478 JZZQBCVZWHWVMW-MRXNPFEDSA-N 373.408 4.350 0 40 FIAB CCn1c(S)nnc1-c1cc(-c2ccccc2OC)nc2ccccc12 5432306 AHHLOIKNIKINNU-UHFFFAOYSA-N 362.458 4.478 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1C 5896670 XYINVNRZVFVVSU-UHFFFAOYSA-N 369.490 4.025 0 40 FIAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)NC1CCCCC1 6128728 YVQJNPJWXYCMAC-CQSZACIVSA-N 370.522 4.074 0 40 FIAB CCn1c(COc2ccccc2OC)nnc1SCc1ccc(F)cc1 6169121 OVYPDZFAZDKLQY-UHFFFAOYSA-N 373.453 4.317 0 40 FIAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(N2CCOCC2)cc1 6328842 AZGZRZXAMRISLE-UHFFFAOYSA-N 361.898 4.294 0 40 FIAB Cc1nc(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)oc1C 6825256 KWUQPYQZKREVSZ-UHFFFAOYSA-N 351.362 4.048 0 40 FIAB O=S1(=O)c2cccc3cccc(c23)N1CCSCc1ccccc1 6850438 XFZLJFBFZDYCJM-UHFFFAOYSA-N 355.484 4.282 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 7079601 XXTAQWMPUMUXHV-DOTOQJQBSA-N 366.461 4.200 0 40 FIAB CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3N3CCCC3)c2O1 7735911 YVXQJBPKECZYSG-UHFFFAOYSA-N 366.461 4.018 0 40 FIAB CN(C)CCCNCc1cc(Cl)ccc1OCc1ccccc1F 8373850 DVUFJAUIDAPQOI-UHFFFAOYSA-N 350.865 4.099 0 40 FIAB Cc1nc(SCC(=O)N[C@@H](C)c2ccco2)c2c(C)c(C)sc2n1 8560510 LDPHJYBGXFUIRI-JTQLQIEISA-N 361.492 4.179 0 40 FIAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccc(F)cc3)sc2C1 8586777 IANXVTZZIQHEQQ-GFCCVEGCSA-N 362.470 4.451 0 40 FIAB Fc1ccccc1OCCNCc1ccc(-n2cnc3ccccc32)cc1 8725442 PLZHMOJRRXTQDR-UHFFFAOYSA-N 361.420 4.333 0 40 FIAB COc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 9064462 OUNOKPWZKUDIQN-INIZCTEOSA-N 354.450 4.092 0 40 FIAB Cc1ccc(Cc2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1 9199282 JKIPPQCWKFHUIJ-UHFFFAOYSA-N 364.430 4.311 0 40 FIAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccn4)ccc3o2)cc1 9659979 KFRJAPBYVDKRFK-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)o1 9762750 WMBWOOUUPJMJDG-UHFFFAOYSA-N 355.419 4.025 0 40 FIAB CC(C)[C@H](NC(=O)N(C)C[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 9871118 ACNFXIFOTXOCNO-XLIONFOSSA-N 372.440 4.004 0 40 FIAB COC(=O)c1ccc(CSc2nnc3cc(C)c4cccc(C)c4n23)o1 11907702 FQYLGCUEBGAERZ-UHFFFAOYSA-N 367.430 4.171 0 40 FIAB CC(=O)Nc1ccc(NCc2cc3cc(C(C)(C)C)ccc3[nH]c2=O)cc1 12144327 FNVVWFRUMRXRDE-UHFFFAOYSA-N 363.461 4.396 0 40 FIAB O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cnccn1 12752686 YARYRFHEDIAKJB-UHFFFAOYSA-N 365.245 4.083 0 40 FIAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)oc2c(Cl)cccc12 13011698 LSRDBFFLOKKCAP-SNVBAGLBSA-N 370.792 4.366 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(F)cc2Cl)CC1=O 13096784 NXJLHBVCYUTBQZ-CYBMUJFWSA-N 360.816 4.033 0 40 FIAB COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3)c2C)cc1OC 13640854 KDLVVLSCZYVWAX-UHFFFAOYSA-N 355.390 4.351 0 40 FIAB COc1cc(OC)cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)c1 14095604 GIXXOZQHIFJTPO-IBGZPJMESA-N 371.433 4.424 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 14166233 LTIMFNFDGCPJNX-UHFFFAOYSA-N 365.220 4.095 0 40 FIAB COc1ccc(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 14328030 DDFJXUGMFLSNAH-UHFFFAOYSA-N 364.367 4.208 0 40 FIAB Cc1ccc(NC(=O)COc2cccc3cccnc23)c(Br)c1 14737479 GIWQKXLVOSPQRJ-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB CCOc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC 14900277 DXNBLLQXTVZWDR-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccccc1Cl 16122709 QSCGYTJWDKCWAW-UHFFFAOYSA-N 350.871 4.049 0 40 FIAB CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690039 RJIHEKKOJTXKAI-MLGOLLRUSA-N 374.485 4.019 0 40 FIAB COc1ccccc1NC(=O)N(C)Cc1ccc(Br)s1 18176960 JOCCKKIGWUSDFJ-UHFFFAOYSA-N 355.257 4.183 0 40 FIAB Cn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)cn1 19290699 DSMHUVRHIWQJOG-IBGZPJMESA-N 354.429 4.332 0 40 FIAB COc1ccc2[nH]c(CNCC3(c4cccc(F)c4)CCOCC3)cc2c1 19715893 JTUWMYABTYKKRC-UHFFFAOYSA-N 368.452 4.154 0 40 FIAB COc1ccc(NC(=O)c2ccc(OC)c(-c3ccc(F)cc3)n2)cc1 19872936 PBZKNHPZJCMJRO-UHFFFAOYSA-N 352.365 4.157 0 40 FIAB CCCCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19911693 FNSQXEIRDLLXHB-NBVRZTHBSA-N 374.506 4.345 0 40 FIAB Cc1sc2c(c1C)CN(Cc1ccccn1)CN2C(=O)c1ccccc1 20193344 RCBOVDZQIVELNE-UHFFFAOYSA-N 363.486 4.380 0 40 FIAB COc1cccc(-c2noc(CCCC(=O)Nc3cccc(C)c3)n2)c1 21168622 YDSMYOBJIHKCPK-UHFFFAOYSA-N 351.406 4.015 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2c[nH]c3ccccc23)c1 21358451 GFPPJJWSZUTGLM-UHFFFAOYSA-N 356.809 4.179 0 40 FIAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCCc1ccccc1F 21926288 KBRUTHWTRHMVQU-UHFFFAOYSA-N 353.437 4.026 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 22510533 IKDYPKLGKCFQPB-IBGZPJMESA-N 350.506 4.499 0 40 FIAB Cc1cc(NC(=O)[C@@H](C)Sc2ccccn2)ccc1Br 23190041 JNVOJNXYXRMEIB-LLVKDONJSA-N 351.269 4.272 0 40 FIAB Nc1nc(SC[C@@H]2CC2(Cl)Cl)nc2sc3c(c12)CCCC3 24047743 KPXVQIMZNJYFBI-ZETCQYMHSA-N 360.335 4.438 0 40 FIAB C[C@@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)o1)c1ccncc1 28229723 FWDOVDGKGSCDKT-CYBMUJFWSA-N 356.809 4.398 0 40 FIAB O=C(c1ccccc1)C1CCN(c2ncnc3c2oc2ccccc23)CC1 30773011 XJQUFUZFGKZHPD-UHFFFAOYSA-N 357.413 4.475 0 40 FIAB C[C@@H](NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1)c1cccs1 37115812 MLMWYAWYEHVKDM-LLVKDONJSA-N 361.467 4.247 0 40 FIAB C[C@@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccc2c(c1)OCCCO2 40133023 MTDSEDRFKVSPRL-BUUCAEBMSA-N 359.372 4.017 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)SCC(O)=N2 44892224 AIYNQLJVKPCBCR-OAHLLOKOSA-N 359.842 4.186 0 40 FIAB COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)C(F)(F)F)c(OC)c1 48290695 MJSYLNGEPZNLNH-SXAWMYDMSA-N 365.351 4.137 0 40 FIAB CCCCN(C)C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486729 DRKJCXUMNHQQPE-UHFFFAOYSA-N 372.856 4.117 0 40 FIAB C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1nnc2ccccn12 58078432 DYPLMSACERVKIK-GFCCVEGCSA-N 366.421 4.088 0 40 FIAB CC[C@H](C)NC(=O)c1oc2ccccc2c1CSc1nnc(C)s1 58216799 HCMBVEYARUEYHP-JTQLQIEISA-N 361.492 4.413 0 40 FIAB O=C(CCCc1nnc(-c2ccccc2)o1)N1CCCc2ccc(F)cc21 58458430 JXWXMEFFIXWNMQ-UHFFFAOYSA-N 365.408 4.178 0 40 FIAB CC(C)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 60214800 OVOQRUUMKGKOEZ-UHFFFAOYSA-N 365.351 4.142 0 40 FIAB COC(=O)[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cccs1 62581279 XPTDSCUIGBCPMU-PEKVBPLLSA-N 357.475 4.089 0 40 FIAB Cc1ccc2nc(C)c(C(=O)N(C)CCCc3nc4ccccc4[nH]3)cc2c1 64444167 UZHYSFYJMOUWQO-UHFFFAOYSA-N 372.472 4.433 0 40 FIAB CCOc1cc2c(c3[nH]c(C(=O)Nc4ccc(F)cc4F)cc13)O[C@@H](C)C2 65538733 CYIWVKYQQKOIEP-JTQLQIEISA-N 372.371 4.421 0 40 FIAB COCCCN(Cc1cccnc1)Cc1c(C(C)C)[nH]c2ncccc12 72393724 ZCOHXLSOAARCCJ-UHFFFAOYSA-N 352.482 4.120 0 40 FIAB O=C(CCc1ccc2c(c1)CCO2)NCCc1c[nH]c2ccc(Cl)cc12 79193533 ZRALMIJYLSXZCX-UHFFFAOYSA-N 368.864 4.048 0 40 FIAB biogenic COc1cccc([C@H](C)N2CCC(c3nc(-c4ccccn4)no3)CC2)c1 81670199 BYMLOKFFUFOEPZ-HNNXBMFYSA-N 364.449 4.081 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)[C@H](C)c3c(C)n[nH]c3C)s2)cc1F 96010461 OHIGOMNBIHRPBX-LLVKDONJSA-N 372.469 4.264 0 40 FIAB FC(F)(F)c1ccc(CN2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 96245615 VYQLLCDAZLDPDV-RTBURBONSA-N 360.423 4.269 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1)c1ccccc1F 100424836 UOZHKRXQVIKEEN-RTBURBONSA-N 370.443 4.280 0 40 FIAB CC[C@@H]1c2ccsc2CCN1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 104874338 GYKZCCCABCQSQH-RDTXWAMCSA-N 360.498 4.416 0 40 FIAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1ccc(-n2ccnc2)cc1 109105584 IMYSQCHELIJCNW-UHFFFAOYSA-N 363.348 4.023 0 40 FIAB CC[C@@H](C)n1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 165582200 RPYFVGITQKVOBR-FAPYRAKZSA-N 373.481 4.383 0 40 FIAB Cc1nc(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cs1 206991161 ULJFOBWKJCFZGB-OAHLLOKOSA-N 352.912 4.425 0 40 FIAB Cc1c(Cl)cccc1S(=O)(=O)N1CCS[C@H](c2ccco2)CC1 219447010 SQSCMZGVTVLNNR-HNNXBMFYSA-N 371.911 4.110 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1cc(OC)ccc1OC 223133731 SLQZEBYPOOTOAQ-OXQOHEQNSA-N 371.477 4.355 0 40 FIAB CC(C)Sc1nnc(NC(=O)c2ccc(N3CCCCC3)cc2)s1 223760978 SUVVVECJDCRYFI-UHFFFAOYSA-N 362.524 4.281 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)s1 225079576 JKZWFFXLOBDPTB-AWEZNQCLSA-N 365.524 4.453 0 40 FIAB COC(=O)c1c(NC(=O)Cc2ccccc2Cl)sc2c1CCCC2 225436354 LWGYWZKMZCUMCE-UHFFFAOYSA-N 363.866 4.248 0 40 FIAB CCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c2ncccc12)C1CC1 225902863 XJSMBHGCMRNMMA-NRFANRHFSA-N 356.466 4.413 0 40 FIAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 225969714 HUPQJYQBGBMFOL-UHFFFAOYSA-N 373.261 4.007 0 40 FIAB CCc1ccc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)cc1 226243073 SZHQOSNIHHMPIV-UHFFFAOYSA-N 364.239 4.043 0 40 FIAB c1ccc(CCN2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)cc1 257267867 MJDFDNJGCMTHNT-IBGZPJMESA-N 359.477 4.037 0 40 FIAB O=C(c1ccccc1)N1CC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257321361 WBICUMRKSSXKPO-QGZVFWFLSA-N 350.393 4.034 0 40 FIAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 260718196 RSCGCGABEBDWRB-HOCLYGCPSA-N 369.538 4.069 0 40 FIAB CC(C)Sc1ccc(CC(=O)Nc2cnn(C[C@@H]3CCCCO3)c2)cc1 390826537 AGARWXOISRBNPS-SFHVURJKSA-N 373.522 4.134 0 40 FIAB COc1ccccc1Oc1ccc(NC(=S)NCc2ccccc2)cn1 408588778 YPIPJTIPJNYZMN-UHFFFAOYSA-N 365.458 4.369 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1nc(C2CCC2)cs1)c1nc(C2CC2)no1 518065517 JPKNKYBVPAJVSM-CYBMUJFWSA-N 361.471 4.190 0 40 FIAB C[C@@](Cc1ccccc1)(NC(=O)c1cccc2nc(O)[nH]c12)c1ccccc1 1142206886 LJKVCKVIRITOAP-QHCPKHFHSA-N 371.440 4.156 0 40 FIAB Cn1nccc1-c1ccc(CCNC(=O)c2cc3ccccc3s2)cc1 1889300388 MJVVDKIAOQVAES-UHFFFAOYSA-N 361.470 4.274 0 40 FIAB O=C1S[C@@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 970008 FSESHNVOMJSIQO-CYBMUJFWSA-N 352.337 4.343 0 40 FIAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OC)c2)c1 1004632 PWJGATOFTFLVAF-LBPRGKRZSA-N 358.463 4.041 0 40 FIAB COc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCCC2)c1 1370189 MVAGVQDHJKYVKA-PMACEKPBSA-N 356.510 4.143 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CC(C)(C)N(O)C(C)(C)C1 1611924 KXGJCPADLFSPJC-UHFFFAOYSA-N 368.905 4.024 0 40 FIAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 1948847 ORZXCUVLRJXTGQ-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB c1ccc(N2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1 2234510 DAWVEGMCMLEXJM-UHFFFAOYSA-N 367.456 4.018 0 40 FIAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2cccnc2)cc1 2380050 VMSYAOFCEAMPBF-FQRUVTKNSA-N 374.421 4.091 0 40 FIAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3cccnc3)sc21 2416271 IWAUERFHEPZPOP-UHFFFAOYSA-N 362.458 4.029 0 40 FIAB Clc1ccccc1-c1nn2c([C@H]3COc4ccccc4O3)nnc2s1 2435296 VSYFUTYONSWPME-CQSZACIVSA-N 370.821 4.019 0 40 FIAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(C)c1 3264193 PQLUSBQEOWJUOW-UHFFFAOYSA-N 366.461 4.089 0 40 FIAB O=c1ccc2ccc(OCCOc3cccc(Br)c3)cc2o1 3598749 LKHFTBSSPFCJLG-UHFFFAOYSA-N 361.191 4.013 0 40 FIAB COc1ccc(N2CCc3c(C)nc4c(OC)cc(OC)cc4c32)cc1 4050982 ZGSMAKABUUKIGZ-UHFFFAOYSA-N 350.418 4.263 0 40 FIAB COc1cc2c(cc1NC(=S)NC(=O)c1ccco1)oc1ccccc12 4624081 CCCRNJAUKUDDKQ-UHFFFAOYSA-N 366.398 4.314 0 40 FIAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 4704054 BBDPITDQKQKJJH-INIZCTEOSA-N 364.367 4.099 0 40 FIAB Cn1nc(/C=C/c2ccc(Br)cc2)nc1-c1ccccc1O 4785103 PDDANWUXWVJSJC-DHZHZOJOSA-N 356.223 4.121 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5200161 ORELPPNSXGYIRD-UHFFFAOYSA-N 368.786 4.321 0 40 FIAB CN(C)CCCN(C(=O)/C=C/c1cccs1)c1nc2ccccc2s1 5239850 ZFMJJVOEWFBUGE-ZHACJKMWSA-N 371.531 4.356 0 40 FIAB Cc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)C[C@@H]2C)c1 5516492 KZXLMIYEOPCRJR-INIZCTEOSA-N 357.461 4.135 0 40 FIAB COc1ccc2nc3c(cc2c1)c(NC(=O)C(C)(C)C)nn3CC(C)C 5577367 NVKPUIUQUNVJJH-UHFFFAOYSA-N 354.454 4.234 0 40 FIAB C[C@@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccccc1 5584341 DZPOQHNCOBBIIB-CQSZACIVSA-N 359.516 4.421 0 40 FIAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2cccc(C)c2)cc1 6056480 CWCQKODYKDVSHN-OAHLLOKOSA-N 366.490 4.312 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc3ccccc3n2)cc1 6558191 CRURKXDSPZNJNG-FIFPYPGSSA-N 360.413 4.127 0 40 FIAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(F)cc1F 6756439 YGZAXBMTESDALQ-UHFFFAOYSA-N 365.177 4.321 0 40 FIAB CCc1nnc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccc3n12 6901687 HVZZCRYIAOTRGA-UHFFFAOYSA-N 371.488 4.299 0 40 FIAB COc1ccc(COC[C@@H](O)CN(C)Cc2ccc(C(C)(C)C)cc2)cc1 6906406 VXELRUINNCYPHF-NRFANRHFSA-N 371.521 4.002 0 40 FIAB CCN(CCNc1ncnc2sc3c(c12)CCC3)c1cccc(C)c1 6910489 XWUANNOKSRNCBP-UHFFFAOYSA-N 352.507 4.427 0 40 FIAB CNC(=O)c1ccc(CN(C)C(=O)c2sc3ccccc3c2Cl)cc1 7845851 GKOOPWQRONUMEC-UHFFFAOYSA-N 372.877 4.187 0 40 FIAB O=C(CSc1nnnn1C1CCCC1)c1ccc(-c2ccccc2)cc1 8128008 MKAMUZAEYFVSKI-UHFFFAOYSA-N 364.474 4.430 0 40 FIAB CCOc1ccc(C(=O)[C@H](C)n2nc(-c3ccncc3)oc2=S)cc1 8324047 LXKLZKWUEJUDDJ-LBPRGKRZSA-N 355.419 4.110 0 40 FIAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)c(Cl)c2)n1 8477035 XAUJLINHAHLZEC-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB O=C(COc1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 8735761 PEJPHQLAELMFBZ-HNNXBMFYSA-N 352.459 4.081 0 40 FIAB CCCSc1nnc(NC(=O)c2ccc(Br)cc2)s1 8792860 HAONPVZNTOIJNS-UHFFFAOYSA-N 358.286 4.055 0 40 FIAB Cc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3C)cc1Cl 9212227 FWSNHRDZFLLBJC-UHFFFAOYSA-N 356.861 4.059 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1nonc1-c1ccc2c(c1)CCCC2 9419148 AUXFHCJIOIZILI-UHFFFAOYSA-N 367.836 4.450 0 40 FIAB O=c1oc2ccccc2n1CN1CCc2sccc2[C@@H]1c1ccccc1 9548198 MATAMTMYWYGVHB-FQEVSTJZSA-N 362.454 4.261 0 40 FIAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccco3)N3CCCC3)oc2c1 9576131 QRFVYTCDUAMJLD-KRWDZBQOSA-N 352.434 4.210 0 40 FIAB Cc1ccc(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 10382248 OQHNCKYPIYRJPK-UHFFFAOYSA-N 357.885 4.388 0 40 FIAB Cc1ccc2cccc(NC(=O)COc3ccc(Br)cc3)c2n1 11917580 ZSXDNAIGSPXFKE-UHFFFAOYSA-N 371.234 4.323 0 40 FIAB COc1cccc(CCC(=O)Nc2ccc(N3CCCCC3)cc2)c1OC 12558174 HIDVPSYEWMNJFI-UHFFFAOYSA-N 368.477 4.265 0 40 FIAB O=C([C@@H](Sc1ncnc2ccccc12)c1ccccc1)N1CCCCC1 12741882 KCLLCKYFZPRUEP-IBGZPJMESA-N 363.486 4.476 0 40 FIAB c1ccc([C@H]2CN(Cc3nc(-c4ccco4)no3)Cc3ccccc32)cc1 12901424 XTOCKOMUWIDCKG-LJQANCHMSA-N 357.413 4.477 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684895 ZKSUKLXPIPOBCT-UHFFFAOYSA-N 356.491 4.088 0 40 FIAB c1ccc(SCCN2CCN(c3nsc4ccccc34)CC2)cc1 13691705 UMPJLSTYJHMFED-UHFFFAOYSA-N 355.532 4.211 0 40 FIAB COc1ccccc1[C@H](CCN[C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccco1 13804699 IRQFLDPUVMQMKX-KVPLUYHFSA-N 356.510 4.129 0 40 FIAB Cc1c(C(=O)NC[C@@H](c2ccccc2)N(C)C)oc2c(Cl)cccc12 14190263 YUWZMTVODYIJMW-KRWDZBQOSA-N 356.853 4.427 0 40 FIAB O=C(Nc1cccc(F)c1)c1cnn(-c2ccc(Br)cc2)c1 15862622 SUTVOTKITNDCHG-UHFFFAOYSA-N 360.186 4.026 0 40 FIAB Cc1cccc(Cn2cc(C(=O)Nc3ccccc3Cl)ccc2=O)c1 15883073 ORGDHMYEFFHVBI-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3ccc(Br)cc3)cnc21 16106395 IIGLVMUSZFBXCP-UHFFFAOYSA-N 359.227 4.027 0 40 FIAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc(Nc3ccc(F)cc3)ncc21 17208749 SSORGQIPNXHYPQ-CYBMUJFWSA-N 351.356 4.411 0 40 FIAB CSc1nc(O)c2c(n1)N=C(O)C[C@H]2c1ccc(C(F)(F)F)cc1 18068486 VYUOXCWFINSTQD-VIFPVBQESA-N 355.341 4.047 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3cccc(F)c3)no2)c1 19718167 SRARVRQOLZQGDX-IBGZPJMESA-N 366.392 4.467 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(SC)cc2)cc1Cl 20029819 CYRWBDVVKSFZLO-LLVKDONJSA-N 371.911 4.110 0 40 FIAB Cc1nc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)[C@H](C)O3)cs1 20163401 NHAVBVMLYCTSRN-ZDUSSCGKSA-N 350.443 4.433 0 40 FIAB Cc1sc2c(c1C)CN(Cc1ccncc1)CN2C(=O)c1ccccc1 20193349 LJSOGQIZIDWTTP-UHFFFAOYSA-N 363.486 4.380 0 40 FIAB CN(C)[C@H](CNC(=O)Cc1c(Cl)cccc1Cl)c1cccs1 23718183 HKPAGEVOPNJLNC-CQSZACIVSA-N 357.306 4.017 0 40 FIAB CCCc1nnc(NC(=O)c2cc(Cl)c(OCC)c(Cl)c2)s1 27794643 SMBVEKNFNYPNDI-UHFFFAOYSA-N 360.266 4.448 0 40 FIAB O=C(CCc1ccccc1F)Nc1ccccc1C(=O)N1CCCCC1 27919076 ZXHLURFPWJIAMG-UHFFFAOYSA-N 354.425 4.023 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccsc2)NC(=S)N1C1CC1 36785774 QLXMVWYHRWCIAH-QGZVFWFLSA-N 369.515 4.054 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 40104199 GTDAZVVATIAOKN-FQEVSTJZSA-N 351.450 4.332 0 40 FIAB Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3F)s2)n1 40110709 FKDJCBLMLHMRFJ-UHFFFAOYSA-N 363.364 4.107 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 46672306 LUKMUGHXGTZTAD-UHFFFAOYSA-N 373.206 4.406 0 40 FIAB Cc1ccc(SCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1 59290135 URJXQOAYXXRLKF-UHFFFAOYSA-N 356.491 4.254 0 40 FIAB OCc1ccc(OCc2cccc(Br)c2)c(Br)c1 62703343 OBLPIESITDTXIA-UHFFFAOYSA-N 372.056 4.283 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OCCS2 70637319 KAQPSJBIBKZKKD-UHFFFAOYSA-N 367.514 4.291 0 40 FIAB O=C(CC[S@@](=O)Cc1csc(-c2ccccc2)n1)Nc1ccccc1 71801188 NPXFLACWYMMMJH-VWLOTQADSA-N 370.499 4.088 0 40 FIAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C 72214953 VJQMJSZTGLBEIR-QGZVFWFLSA-N 361.486 4.305 0 40 FIAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 72324100 POPADGOFURDXFK-MRXNPFEDSA-N 364.228 4.128 0 40 FIAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 72354177 OVQNXPWTALHGCU-NRFANRHFSA-N 360.505 4.392 0 40 FIAB C/C(=C\c1ccccc1)CN1CCC[C@H]1c1nc(O)cc(-c2ccccn2)n1 72389811 LIVPUYOADSSTIX-UEBLJOKOSA-N 372.472 4.485 0 40 FIAB CCOc1ccc(NC(=O)NCCCn2ccnc2-c2ccccc2)cc1 85555168 CEWNHDWEYDTOTP-UHFFFAOYSA-N 364.449 4.161 0 40 FIAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 95453193 ODIPTRXBFHBDBE-LHUXKHBRSA-N 365.477 4.119 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nncs5)(C4)C2)C3)cc1 100846194 XSWQZWKWEGXVLN-SNEKZUEESA-N 353.491 4.323 0 40 FIAB CC[C@@H](NC(=O)COc1ccccc1Cl)c1ccc(OC)c(OC)c1 218851306 BNUJOHROUNHFNH-OAHLLOKOSA-N 363.841 4.004 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC)c1ccccc1 223412018 SALATELWDNSPGM-HXUWFJFHSA-N 372.896 4.346 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)NCCOc2cc(C)cc(C)c2)cc1 224107601 RYFWRNKRABBUJD-NRFANRHFSA-N 355.478 4.218 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1Cl 224470170 UIGZABDIXCANBH-QGZVFWFLSA-N 361.869 4.309 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1 224817727 MATSPOLZQNHMAM-OAHLLOKOSA-N 364.917 4.306 0 40 FIAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SC)s1 224839129 CWQOIPIXRJUJKH-CYBMUJFWSA-N 365.524 4.354 0 40 FIAB COc1ccccc1CNC(=S)Nc1ccc(Br)c(C)c1 225312294 AIMNRPXNWKTAAH-UHFFFAOYSA-N 365.296 4.253 0 40 FIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225845590 ITLUZAYLISAGKC-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2cccc(Cl)c2oc1=O 226040825 RXPAUIKJGVTBPT-ZDUSSCGKSA-N 355.821 4.198 0 40 FIAB Nc1ccc(N2CCCCC2)c(NC(=O)c2cccc(Br)c2)c1 226254971 KFIPRFOWWPWECI-UHFFFAOYSA-N 374.282 4.274 0 40 FIAB Cc1cc(C)n(-c2cncc(N3CCC(c4c[nH]c5ccccc45)CC3)n2)n1 301184413 OPUVGGKGYRYYTL-UHFFFAOYSA-N 372.476 4.144 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)c2ccccc12 409232702 OWOJPHOOAUJYDM-QGOAFFKASA-N 371.458 4.311 0 40 FIAB COC(=O)c1ccccc1Nc1cc(C(C)C)n(-c2ccccc2)c(=O)c1 584907005 ACHUQFYFZTUVHD-UHFFFAOYSA-N 362.429 4.491 0 40 FIAB N=c1[nH]c(-c2ccccc2)c(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 606422269 JDRVHGORQGVFMK-UHFFFAOYSA-N 353.491 4.378 0 40 FIAB Fc1ccc2nc(C(F)F)nc(NC[C@H]3CCOC4(CCC4)C3)c2c1 663965471 GHLWJBSFIMNGFC-NSHDSACASA-N 351.372 4.468 0 40 FIAB Cc1ccc2cccc(NC(=O)N3CC[C@@H](N(C)c4ccccc4)C3)c2n1 1623041064 PGUKCAKNCZJILG-LJQANCHMSA-N 360.461 4.286 0 40 FIAB O=C(NC1CCCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 689039 YYWJRBYMKCKNIR-UHFFFAOYSA-N 360.413 4.303 0 40 FIAB CC(C)NC(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 819267 LPYIPWOSKKAZNS-UHFFFAOYSA-N 366.505 4.002 0 40 FIAB Cc1nnc(SCC(=O)N(c2ccccc2)c2ccc(O)cc2)s1 892105 IWGMLGBYLDOLTK-UHFFFAOYSA-N 357.460 4.009 0 40 FIAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@@H](C)O[C@H](C)C1 1022053 CFCWXPWMBGDYBU-NXEZZACHSA-N 369.248 4.206 0 40 FIAB Cc1ccccc1Cn1nc(-c2ccccc2)c(N2CCCCC2)cc1=O 1383882 IUTUUFRWQOSQSX-UHFFFAOYSA-N 359.473 4.257 0 40 FIAB CCCC1=C(C(=O)OCC)[C@H](c2cccc3ccccc23)n2ncnc2N1 2228670 FIHWODWCXBQOKK-IBGZPJMESA-N 362.433 4.064 0 40 FIAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)cc1 3244195 WMZMEIJZXDYJRX-UHFFFAOYSA-N 374.849 4.064 0 40 FIAB CCN(C(=O)COC(=O)c1ccc(Cl)nc1)c1cccc2ccccc12 3312298 BDWGHBRRGIAILF-UHFFFAOYSA-N 368.820 4.098 0 40 FIAB C[C@@H](Sc1ccc2ccccc2c1)C(=O)NCc1ccc2c(c1)OCO2 3382476 LQJKUWBCZUZZOE-CQSZACIVSA-N 365.454 4.366 0 40 FIAB O=C1NC(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)N1 4608417 VYDFGTMLMVHWMD-UDWIEESQSA-N 367.408 4.023 0 40 FIAB CCN(CC)c1ccc(-c2nc3cnccn3c2NC(C)(C)C)c(OC)c1 4906196 QRJJSPVPMWQZEJ-UHFFFAOYSA-N 367.497 4.462 0 40 FIAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2C)CC1=O 5017008 ICYCPCZMAUZVJA-AWEZNQCLSA-N 372.852 4.039 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccccc1F 5137091 PNOJCQJRCLFTNX-UHFFFAOYSA-N 358.413 4.369 0 40 FIAB Cc1noc(C)c1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 5194096 CECBQNQRSNYEFI-UHFFFAOYSA-N 374.396 4.479 0 40 FIAB CC(=O)Oc1ccc(N2C(=O)C/C(=C/C=C(\C)CCC=C(C)C)C2=O)cc1 5483314 VOJUGTNVEFKVST-FNTYQEAQSA-N 367.445 4.494 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CSc1ccc2ccccc2c1 5780281 BRMPGCFNRZMBOL-BEFAXECRSA-N 371.502 4.170 0 40 FIAB Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccco3)cc(C(=O)O)c12 5783275 YABKWSWWULJVQN-UHFFFAOYSA-N 353.765 4.341 0 40 FIAB CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 6349574 FFARQVJSBMFZIG-UHFFFAOYSA-N 353.447 4.335 0 40 FIAB CCOc1ccccc1NC(=O)Cn1ccc2cc(Br)ccc21 6387760 XRLONZSGGCGYQF-UHFFFAOYSA-N 373.250 4.441 0 40 FIAB COc1ccc2c(CC(=O)OCC(=O)c3cc(C)c(C)cc3C)coc2c1 6654368 ZLAFBHZHEKWDJI-UHFFFAOYSA-N 366.413 4.335 0 40 FIAB CCc1ccc(OCC(=O)N(Cc2ccco2)Cc2ccc(C)o2)cc1 6747406 RVNAHXCDKDXTRQ-UHFFFAOYSA-N 353.418 4.351 0 40 FIAB Cc1cccc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)c1 7550760 JBJFGTHIUKJTFA-UHFFFAOYSA-N 353.451 4.141 0 40 FIAB CN1/C(=C\C=C2\N=C(c3cccc(F)c3)OC2=O)C(C)(C)c2ccccc21 7777502 VSXZHYYFKZPZET-YUQALFBESA-N 362.404 4.325 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 7903887 AHDBAYIEDBFART-CYBMUJFWSA-N 356.495 4.024 0 40 FIAB C[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)no1)c1ccc(Cl)cc1 8055951 ZVZFGRKGZDBWHS-GFCCVEGCSA-N 373.815 4.339 0 40 FIAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1c[nH]c2ccccc12 8275370 PPTJGUMTINEYPT-UHFFFAOYSA-N 372.211 4.068 0 40 FIAB Nc1c(Cl)cc2nn(-c3ccc(Cl)cc3)nc2c1Br 8729525 DUZWAHSYWYNRIO-UHFFFAOYSA-N 358.026 4.072 0 40 FIAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(Cc4ccccc4)nc3c12 9305634 UUKZITJXLLMLCM-UHFFFAOYSA-N 371.419 4.415 0 40 FIAB O=C(/C=C/c1ccco1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 9388970 YFJGUVJYCUVYRM-BQYQJAHWSA-N 364.382 4.161 0 40 FIAB COc1ccc([C@H](NC(=O)N(C)Cc2cccc(OC)c2)C(C)C)cc1 9867606 FSHLTXPGWTWAGS-HXUWFJFHSA-N 356.466 4.243 0 40 FIAB CC(C)N(CCNC(=O)c1ccc(C2SCCS2)cc1)C(C)C 10214737 ZPEMCGYYNBQRMD-UHFFFAOYSA-N 352.569 4.014 0 40 FIAB CCOc1ccc(-c2nn3c(COc4ccc(C)cc4)nnc3s2)cc1 10311976 AQHASWPAEAOGIV-UHFFFAOYSA-N 366.446 4.139 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 10611035 MSBWKEXLKQAUHF-CYBMUJFWSA-N 372.490 4.295 0 40 FIAB O=C(NC1CCCC1)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088959 LPGAHSFLFNMDGE-UHFFFAOYSA-N 364.489 4.147 0 40 FIAB C[C@@H](CN1[C@@H](C)CCC[C@H]1C)OC(=O)c1ccccc1Br 12362943 NTTBMJIADQIFRG-MJBXVCDLSA-N 354.288 4.257 0 40 FIAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCC(C)C)cc1 12419382 ISQPVBRCIIUHHZ-UHFFFAOYSA-N 360.435 4.144 0 40 FIAB Brc1cccc(-c2nn3c(-c4cccs4)nnc3s2)c1 12653893 VNEXIKCKEIOQTR-UHFFFAOYSA-N 363.265 4.344 0 40 FIAB O=C(c1cc(F)cc(F)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12813979 HCYSJXAVBOIGBX-QGZVFWFLSA-N 359.372 4.103 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C 12946659 KPFVKDXYMAMYMY-HZPDHXFCSA-N 356.491 4.099 0 40 FIAB O=c1c2cc(OCc3ccc(Cl)cc3Cl)ccc2nc2n1CCC2 13655760 RDQYDAWDFRWFTN-UHFFFAOYSA-N 361.228 4.229 0 40 FIAB O=C(c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)N1CCOCC1 14209909 AAMOWOLFPYTODK-NXVVXOECSA-N 374.440 4.177 0 40 FIAB Cc1csc(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)n1 15670029 WIBPDDOLQBRIHV-UHFFFAOYSA-N 362.842 4.116 0 40 FIAB CC(C)c1nccn1[C@H](C)c1cc(O)n2ncc(-c3ccc(F)cc3)c2n1 19454341 CYYCEZFKUDKQRX-CYBMUJFWSA-N 365.412 4.170 0 40 FIAB COc1ccc(S[C@H](C)C(=O)NCCCc2ccc(C)cc2)cc1OC 20037562 XQYLAUKZJZWODZ-MRXNPFEDSA-N 373.518 4.242 0 40 FIAB Cc1cccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1C 20144008 FILCROAREYBJIF-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB CCOc1c(Br)cc(CNCCc2ccccc2)cc1OC 22074373 YNVPWEJZUSHYFT-UHFFFAOYSA-N 364.283 4.189 0 40 FIAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 22504389 UVBYHRNUZUGHQW-UHFFFAOYSA-N 367.449 4.274 0 40 FIAB CC1=Nc2ccccc2NC2=C1C(=O)NC[C@@H](c1ccc(Cl)cc1)C2 22607158 IYTXMNHOQDIMFK-AWEZNQCLSA-N 351.837 4.416 0 40 FIAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc(Br)o2)c1 24840565 KUNXUGLUXACGFI-ZDUSSCGKSA-N 350.212 4.028 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCCc1cn2ccccc2n1 26288240 UBVUBBQCRVKFCY-UHFFFAOYSA-N 364.493 4.016 0 40 FIAB O=C(NCc1ccc(N2CCCC2)nc1)c1cc(F)c(Cl)cc1Cl 31314955 PIQZEPGTQVKYBX-UHFFFAOYSA-N 368.239 4.058 0 40 FIAB CCN(CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccccc1 32622645 KACMJHUOLITEFX-QGZVFWFLSA-N 369.490 4.216 0 40 FIAB COc1ccc([C@H]2CCCN2S(=O)(=O)C2=Cc3ccccc3CC2)cc1 32679697 QJDULJIESWDQSE-OAQYLSRUSA-N 369.486 4.149 0 40 FIAB COc1ccc(CCN(C)[C@H](C)c2nnc(-c3cccs3)o2)cc1OC 32739720 HPRCSQRZMJAQOS-CYBMUJFWSA-N 373.478 4.051 0 40 FIAB O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CCN(Cc2ccccc2)C1 36875878 ZKWYHNGOVAYIBX-OAQYLSRUSA-N 374.484 4.270 0 40 FIAB CN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(F)c1 40097613 ZPSWRNNKTAIIHE-UHFFFAOYSA-N 355.182 4.391 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2ccccc2)c1 44845029 AZHCUOVLDFWPJF-GOSISDBHSA-N 357.519 4.429 0 40 FIAB COc1ccc(C(=O)Nc2c(C)cc3nc(N)sc3c2C)cc1Cl 45889576 IYZPQFCJDXMVDV-UHFFFAOYSA-N 361.854 4.410 0 40 FIAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)n1c(C)nc2ccccc21 48044459 WECVLELZTVHTFP-UHFFFAOYSA-N 355.246 4.197 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)cc1Br 48044577 ZRBLQCYODABLNT-CYBMUJFWSA-N 368.296 4.105 0 40 FIAB O=C(NCCCOCc1ccco1)c1ccc(SC(F)(F)F)cc1 48304108 LSSYZGCZKYNYIK-UHFFFAOYSA-N 359.369 4.228 0 40 FIAB Cn1ccnc1Sc1ccc(F)cc1NC(=O)Cc1cccc(F)c1 58173068 JWUMNKVGKHYYNF-UHFFFAOYSA-N 359.401 4.031 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(N(C)C)cn1 58405784 FZKFFFQZZNMPND-UHFFFAOYSA-N 374.803 4.156 0 40 FIAB Cc1noc(Cl)c1CCC(=O)Nc1ccc(Nc2ccccc2)nc1 58425459 SGIPFNFZDQOFGT-UHFFFAOYSA-N 356.813 4.346 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(F)cc1)N1CCCC1 64471796 RPALYHCTYVRITQ-UHFFFAOYSA-N 353.372 4.493 0 40 FIAB CSc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1 64596695 GHRYGBZXLKRXSR-UHFFFAOYSA-N 357.500 4.382 0 40 FIAB COc1ccc(C)cc1C[S@@](=O)Cc1nc(-c2ccccc2)oc1C 69819812 VWCLLLVZGSNDLE-VWLOTQADSA-N 355.459 4.416 0 40 FIAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)cc1 72329021 NJXKNVGOEZBJPL-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 72378867 XDKJEKKYIJFLSM-IBGZPJMESA-N 374.488 4.411 0 40 FIAB C[C@@](O)(CNC(=O)Nc1cccs1)c1ccc(-c2ccccc2)cc1 75155398 QULVNXYFZWQTGZ-HXUWFJFHSA-N 352.459 4.444 0 40 FIAB Cn1c(-c2cnn(Cc3ccccc3)c2)nc2cc(Br)ccc21 89749482 QEXXFGCHSUBLOJ-UHFFFAOYSA-N 367.250 4.248 0 40 FIAB c1ccc(COc2ccc(CN3CC(c4nc(C5CC5)no4)C3)cc2)cc1 90563466 PWCWQEDQXROGIT-UHFFFAOYSA-N 361.445 4.125 0 40 FIAB Fc1ccc2ncnc(Sc3nnc(C4CC4)n3-c3ccccc3)c2c1 92584868 UFUXEZMGXUHHNM-UHFFFAOYSA-N 363.421 4.378 0 40 FIAB Cc1ccc(N[C@H]2CCN(CC(F)(F)F)C2)cc1NC(=O)C(C)(C)C 95429090 DOKPGBDSPIXGRN-AWEZNQCLSA-N 357.420 4.028 0 40 FIAB Cc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)s1 96051152 SKXVCJREEXPHRN-SFHVURJKSA-N 363.477 4.189 0 40 FIAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2F)C[C@H](c2ccco2)C1 102749063 FNBVKHWGJSTEKG-DYZYQPBXSA-N 366.352 4.431 0 40 FIAB C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 105578874 FFHZCMYOVZVFAH-LAQRGFTBSA-N 353.466 4.000 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1 110385805 YEFFYMICJWFTIL-TVFCKZIOSA-N 356.510 4.493 0 40 FIAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC)cc1 219604471 GBLJFDKWDPWXQC-IBGZPJMESA-N 361.869 4.255 0 40 FIAB COC(=O)C=C1CCC2(CCOc3cc(Br)ccc32)CC1 219771544 NOENYELMNGXMAH-UHFFFAOYSA-N 351.240 4.143 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1cccc(C)c1 222739042 IRVXFVQXTRGKPT-UHFFFAOYSA-N 370.518 4.397 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 222795316 BIYGJBNFRSTFCQ-UXHICEINSA-N 362.502 4.173 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)c1ccccc1Br 223749463 YOBVKDRUZNRWII-UHFFFAOYSA-N 362.267 4.381 0 40 FIAB COc1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)cn1 223992902 CPPPKOIWHVIFJR-UHFFFAOYSA-N 355.507 4.279 0 40 FIAB Cc1ccc(SCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 224604740 BAEIXMDKAPONRQ-UHFFFAOYSA-N 355.503 4.161 0 40 FIAB O=C(CCSCc1ccccc1)NCc1cccc(CN2CCCC2)c1 224618564 UCLCXGKCEFELDS-UHFFFAOYSA-N 368.546 4.222 0 40 FIAB O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CCOCC1 224963438 WCCMLTQTKMKYPG-UHFFFAOYSA-N 368.820 4.134 0 40 FIAB O=C(Nc1ccc2c(c1)C(=O)OCc1cccn1-2)c1cc2ccccc2o1 225379712 FAPXAIGSLCFVHN-UHFFFAOYSA-N 358.353 4.146 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccccc1C 225555493 RVCCAYLFFULXQR-IBGZPJMESA-N 373.518 4.312 0 40 FIAB CC[C@@H](CNC(=S)Nc1cccc(C(=O)OC)c1C)Cc1ccccc1 225631630 CMJCIRBCFOUDES-MRXNPFEDSA-N 370.518 4.337 0 40 FIAB CCCOC(C)(C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225727454 SRPXBXJUNBFLOO-UHFFFAOYSA-N 362.514 4.085 0 40 FIAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(OC)c2)cc1 226356496 ONLPUVFPWTYIRO-UHFFFAOYSA-N 365.385 4.468 0 40 FIAB CN1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1ccccn1 257255292 KGYBZRLXINLSAO-FUDKSRODSA-N 363.505 4.302 0 40 FIAB Cn1nc(-c2ccccc2)c2c1[C@@H](c1ccccc1)CN(c1ncccn1)C2 306140628 UZDTWOUTYABOAJ-LJQANCHMSA-N 367.456 4.029 0 40 FIAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1cn(C)nc1C(F)(F)F 331437062 BDRZLKJUMIBJFC-LLVKDONJSA-N 370.375 4.176 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1Cl 408627844 OJANVUUNEZWGIL-UHFFFAOYSA-N 363.708 4.496 0 40 FIAB C[C@@H]1c2ccccc2CCN1C(=O)c1csc(Nc2ccccn2)n1 530647246 FETYXAIXPQPBKM-CYBMUJFWSA-N 350.447 4.041 0 40 FIAB COc1ccccc1C[C@H](C)Nc1ccccc1S(=O)(=O)C(F)(F)F 1307110417 FNOQESDBERNRAA-LBPRGKRZSA-N 373.396 4.032 0 40 FIAB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2Cl)NC(=O)N1 823569 GIKRKUSMBUOCKF-QGZVFWFLSA-N 362.857 4.234 0 40 FIAB COc1ccc(-c2cc3nc(C)cc(N4C[C@@H](C)C[C@H](C)C4)n3n2)cc1 1340748 YVCQBCJHRUNBFT-GJZGRUSLSA-N 350.466 4.196 0 40 FIAB Cc1cc(OC/C=C/c2ccccc2)c2c(C)c(CC(=O)O)c(=O)oc2c1 1805697 ZLWZCYJUQQSIKC-RMKNXTFCSA-N 364.397 4.129 0 40 FIAB Cc1ccc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2)cc1 2094573 QBOYKMRHZSIOIO-UHFFFAOYSA-N 352.386 4.006 0 40 FIAB biogenic Cc1cc(NC(=O)c2coc(=O)c(Br)c2)ccc1C(C)C 2241885 QWZAWHOVYRAFFC-UHFFFAOYSA-N 350.212 4.086 0 40 FIAB CCOCCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2433737 MFZULOGPEQTEOL-UHFFFAOYSA-N 350.397 4.212 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1OC 2628333 TZZZUGDZVYZKHH-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB CCOc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1 3247637 FDUGKJWTADVGHP-UHFFFAOYSA-N 368.867 4.149 0 40 FIAB CCCN(CC1CC1)C(=O)CSc1nnc(NC2CCCCC2)s1 3331090 CWJQPYGYJCBZOR-UHFFFAOYSA-N 368.572 4.023 0 40 FIAB COC(=O)c1ccc(COC(=O)c2sc3ccccc3c2Cl)o1 3448039 MCTQBSVRXXBEOP-UHFFFAOYSA-N 350.779 4.291 0 40 FIAB C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3514492 LYCBMAWCOHAPRI-CQSZACIVSA-N 351.358 4.256 0 40 FIAB COc1ccc(/C=C/C(=O)OCc2cccc(C(F)(F)F)c2)cc1OC 3525537 OQMBTSCGAGQQMB-VQHVLOKHSA-N 366.335 4.479 0 40 FIAB CCOc1ccc2nc(NC(=O)COc3ccc(C)cc3OC)sc2c1 3559762 OYQQRLFKCIVVNQ-UHFFFAOYSA-N 372.446 4.030 0 40 FIAB CCCCSc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 4079481 REMLSVYWOWZNKD-UHFFFAOYSA-N 357.888 4.345 0 40 FIAB Cc1ccc(C)c(CSC2=NCCN2C(=O)[C@H](C)Oc2ccccc2)c1 4120329 VIBDYYMNPJNVHP-KRWDZBQOSA-N 368.502 4.202 0 40 FIAB C[C@H]1CCc2c(sc(Nc3nc4c(F)cccc4s3)c2C(N)=O)C1 4137680 ZTMGOFZWXPCDQQ-QMMMGPOBSA-N 361.467 4.464 0 40 FIAB Cc1cc(NC(=O)c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)no1 5525496 CMSSBCWPAHDQIT-LBPRGKRZSA-N 368.233 4.107 0 40 FIAB Clc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1 6448358 MZBCSMWNQIUPBK-UHFFFAOYSA-N 357.204 4.026 0 40 FIAB CCCOc1cccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)c1 6779102 ASKHXXROUMBHJV-UHFFFAOYSA-N 372.534 4.049 0 40 FIAB Cc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)s1 7192610 XHZBUXMRXJMLKJ-HNNXBMFYSA-N 359.451 4.458 0 40 FIAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)c1c(C)[nH]c2ccccc12 7657718 KTGISXFVAVRJLN-LBPRGKRZSA-N 354.431 4.021 0 40 FIAB COc1ccc(Br)cc1CSCC(=O)NC1CCCCC1 7850269 IKPPOJCYUAACOI-UHFFFAOYSA-N 372.328 4.140 0 40 FIAB COCc1c(C(=O)NCCOc2ccc(Cl)cc2)oc2ccccc12 7988673 RUDJGCPJXKEOTQ-UHFFFAOYSA-N 359.809 4.041 0 40 FIAB C[C@H](NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccccn1 7990625 RQPHQZOXPGDBQY-KRWDZBQOSA-N 368.440 4.425 0 40 FIAB COc1ccc(Nc2nc(-c3ccc(CCNC(C)=O)cc3)cs2)cc1 8208869 BZONBXBMFZPYTM-UHFFFAOYSA-N 367.474 4.241 0 40 FIAB COc1c(Br)cc(Br)cc1CNC1CCCC1 8469442 DWOWVCUOQLDWOJ-UHFFFAOYSA-N 363.093 4.252 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)c3ccc4snnc4c3)s2)cc1 8843782 OLBBMVLABGONTE-UHFFFAOYSA-N 366.471 4.299 0 40 FIAB COc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 8919474 GNENXSFQGRQYQV-UHFFFAOYSA-N 365.408 4.151 0 40 FIAB CSc1ccccc1NC(=O)CN(C)C(=O)Nc1ccc(Cl)cc1 9390259 BXAXLZZOGRPEOC-UHFFFAOYSA-N 363.870 4.164 0 40 FIAB Cc1ccc2c(CC(=O)N3c4ccc(F)cc4CC[C@@H]3C)cc(=O)oc2c1 9704865 MNWVLTBFBGBWLA-AWEZNQCLSA-N 365.404 4.151 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)c1cc(Cl)ccc1Cl 10234955 JOJJYOYEMBKWAM-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB O=C(COC(=O)c1cccnc1Cl)c1ccc2c(c1)-c1ccccc1C2 10801664 JILIJMIKJVXOJJ-UHFFFAOYSA-N 363.800 4.346 0 40 FIAB Cc1cccc(NC(=O)NC(=O)CNc2ccc(C(F)(F)F)cc2)c1C 11162144 YFKHQDXFZYPFGD-UHFFFAOYSA-N 365.355 4.082 0 40 FIAB C[C@@H](c1ccccc1)N(C)CCS(=O)(=O)c1cc(Cl)ccc1Cl 11289538 ZFOJXTVMKLONOD-ZDUSSCGKSA-N 372.317 4.460 0 40 FIAB COc1cc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1Cl 11613717 AMGZYPMVWYKBCK-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB S=C(NCCCn1ccnc1)Nc1ccc(Oc2ccccc2)cc1 12598787 DLOKQDFABLUPRR-UHFFFAOYSA-N 352.463 4.052 0 40 FIAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C)cc1)O[C@H](C)C2 12811413 QAYZWAFBEKPOSY-HUUCEWRRSA-N 354.450 4.156 0 40 FIAB O=C1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(F)cc2N1 12820474 AIZIAKPIASYDAX-CYBMUJFWSA-N 353.180 4.197 0 40 FIAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccsc2)no1 12871726 NRSMXKCXBINNMK-UHFFFAOYSA-N 355.463 4.494 0 40 FIAB COc1cc(NC(=O)CC(C)C)ccc1-c1cc2ccccc2oc1=O 14258529 OYDLXGPSZXBHHN-UHFFFAOYSA-N 351.402 4.453 0 40 FIAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c(C)c1 14426313 LBMDRVSKHGWQDB-GOSISDBHSA-N 350.462 4.220 0 40 FIAB CC1CCN(c2ccc(N[C@@H](C(=O)N(C)C)c3ccccc3)cc2)CC1 15497693 MFYLPJINCHLRSM-OAQYLSRUSA-N 351.494 4.164 0 40 FIAB CCOc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)n[nH]2)cc1 15721687 LGZABEFPBMYZRZ-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 15882985 QPCJHQJSGWOFBB-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB CCc1nc2sc([C@H](c3cccc(F)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690038 RJIHEKKOJTXKAI-WBMJQRKESA-N 374.485 4.019 0 40 FIAB O=c1nc(Nc2ccc(Nc3ccccc3)cc2)[nH]nc1-c1ccc(F)cc1 16806913 MUPQAFXMAXKJTJ-UHFFFAOYSA-N 373.391 4.458 0 40 FIAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCCCC1 17045831 RKOSKURGSRINCH-UHFFFAOYSA-N 351.859 4.289 0 40 FIAB CC(C)c1nccn1[C@@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1 19454327 MEEJWXNZRWXRSJ-AWEZNQCLSA-N 354.479 4.254 0 40 FIAB CCCCCN1C(=O)[C@@]2(NCCc3c2[nH]c2ccc(C)cc32)c2ccccc21 20064213 WBWIQHMHVDZSTI-XMMPIXPASA-N 373.500 4.402 0 40 FIAB biogenic Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)CSc1ccccc1 20151170 NXHJVELUSODLIW-UHFFFAOYSA-N 353.443 4.478 0 40 FIAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1-n1ccnc1 20451767 MZIOJLSGWXUWRO-UHFFFAOYSA-N 369.852 4.001 0 40 FIAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ncccc1O 22261859 SDEOOLHQBRJKLI-UHFFFAOYSA-N 350.443 4.249 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c1 23135849 DRFCRZNCLLNNDF-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB OC[C@@H](CNc1nc(-c2ccsc2)nc2ccccc12)Cc1ccco1 24206397 PZACJXZBKVFYCH-CQSZACIVSA-N 365.458 4.214 0 40 FIAB CCCN(Cc1nc(=O)c2sccc2[nH]1)Cc1c(F)cccc1Cl 24838920 ANUZDMNRBZWAAJ-UHFFFAOYSA-N 365.861 4.189 0 40 FIAB COCCCNCC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1 27579175 UYNFELVRVODKBT-FQEVSTJZSA-N 353.934 4.474 0 40 FIAB CCCCN(C)C(=O)CSc1nc(-c2ccccc2)nc(C)c1C(C)=O 27789715 ZWSAUESHFHUQNN-UHFFFAOYSA-N 371.506 4.005 0 40 FIAB O=C(c1cccs1)N(Cc1ccc(Br)o1)c1ccccn1 28286836 JAIKYERFGFLFCL-UHFFFAOYSA-N 363.236 4.346 0 40 FIAB O=C(Nc1ccc(OCc2cccc(F)c2)c(Cl)c1)c1cnccn1 29138928 UWIIXYSPDRANBO-UHFFFAOYSA-N 357.772 4.100 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)CCOc1ccc(F)cc1 29707182 HKUYJLQMNROKSN-UHFFFAOYSA-N 372.827 4.487 0 40 FIAB O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc2ncsc2c1 31608317 OPDFFAJUWWEPCM-UHFFFAOYSA-N 352.337 4.490 0 40 FIAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(OC)cc1OC 32678989 NXLXWKSCUJSUDG-HNNXBMFYSA-N 357.450 4.153 0 40 FIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)N1CCc2ccccc21 32905814 XRTQUSNHRKAMQG-UHFFFAOYSA-N 367.499 4.438 0 40 FIAB CCN1CCN(c2ccc(NC(=O)N(C)C3CCCCCC3)c(C)c2)CC1 40103841 NZJJIMWURQHYCP-UHFFFAOYSA-N 372.557 4.323 0 40 FIAB CC(C)[C@@H](NC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1 44141284 ZGLWSDSCNJDVTQ-HXUWFJFHSA-N 365.477 4.441 0 40 FIAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1nc(Cl)ccc1Cl 48263128 IBTGHBJYUOORKV-UHFFFAOYSA-N 365.245 4.489 0 40 FIAB O=C(Oc1ccc2ccncc2c1)c1ccc(NC(=O)c2ccco2)cc1 48286020 LIQRHNANCRVJMH-UHFFFAOYSA-N 358.353 4.299 0 40 FIAB Cc1ccc([C@@H](NC(=O)COc2ccc(F)cc2F)C(F)(F)F)cc1 48324143 XCIFGCLUHFVGLJ-MRXNPFEDSA-N 359.294 4.072 0 40 FIAB CC(C)Cc1noc(CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)n1 52993731 YQPDXSFSTMCRGO-UHFFFAOYSA-N 374.872 4.442 0 40 FIAB Cc1nc(CCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cs1 65578693 ZCJNVTDCCZOPPQ-UHFFFAOYSA-N 351.884 4.134 0 40 FIAB Cc1cccc(Cl)c1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330067 LXAPHUUKFTZMSH-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3ccncc3)n2)cc1 72357920 IJYRITHCHUYFQL-QHCPKHFHSA-N 371.484 4.282 0 40 FIAB COc1cccc(NC(=O)c2ccc(CSc3nc(C)cc(C)n3)o2)c1 79494395 RLUSNMBBAYWFCU-UHFFFAOYSA-N 369.446 4.240 0 40 FIAB Clc1ccc(-c2n[nH]cc2CNCc2ccc(-n3cccn3)cc2)cc1 79919742 PZWCGUPPEALJNW-UHFFFAOYSA-N 363.852 4.206 0 40 FIAB COCc1c(C(=O)N[C@H]2CCc3c(O)cccc32)sc2ccccc12 89420309 YMDMORMQNFBCKC-INIZCTEOSA-N 353.443 4.171 0 40 FIAB O=C(NC1(c2ccc(Br)cc2)CC1)[C@H]1C[C@H]1c1ccccc1F 95385709 QISMVLZLSDWPSV-HOTGVXAUSA-N 374.253 4.497 0 40 FIAB CCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc(SC)cc3)ccc21 96103557 CDAINNGZYPGCFC-WUXMJOGZSA-N 366.486 4.360 0 40 FIAB c1cncc(CO[C@H]2CC3(CCN(c4cnccn4)CC3)c3ccccc32)c1 96241537 XQUQEINQLJKCHN-NRFANRHFSA-N 372.472 4.071 0 40 FIAB Cc1cc(OC(F)F)ccc1NC(=O)CSc1nc2ccccc2[nH]1 98087243 SSBABYPQICFGKV-UHFFFAOYSA-N 363.389 4.204 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC5=NCCS5)(C4)C2)C3)cc1 100311959 PMHLOZZEYLYSJY-AJHHTPGJSA-N 354.519 4.052 0 40 FIAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1c1cc(C)cc(C)c1 101622148 YFJPFBMACPJCTD-UZLBHIALSA-N 354.475 4.247 0 40 FIAB C[C@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1C[C@@H]2CC[C@@H]1C2 103813753 RTXZBUSSCJLHIH-QJDYKUIKSA-N 360.567 4.018 0 40 FIAB Cc1cc(C(F)(F)F)nc2sc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(N)c12 215682989 VWXSLWIMEVKKNH-DTORHVGOSA-N 371.428 4.324 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1cccc2ccccc12 219044228 GEMOKLLTWOYPEH-ZWKOTPCHSA-N 363.457 4.499 0 40 FIAB CCOc1ccc(CCCNC(=O)COc2ccc3ccccc3c2)cc1 222836655 DZSSKOFSNXHQFX-UHFFFAOYSA-N 363.457 4.366 0 40 FIAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCOc1ccc(Cl)cc1 224421222 RRWXYSZCANINJR-OAHLLOKOSA-N 361.869 4.426 0 40 FIAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224929957 BGAPSDYDKULQOW-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225658404 MMAXYFLBOHXBLE-UHFFFAOYSA-N 355.434 4.474 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(CC)cc2)cc1OCC 225772163 FWLNDGLQHUDVRS-MRXNPFEDSA-N 355.478 4.466 0 40 FIAB COc1ccc(C(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc1OC 390830507 LMUFTDMMQJKMNB-OAHLLOKOSA-N 351.512 4.230 0 40 FIAB O=C(O)c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409146266 KKOZHJQVTVAXNG-GHRIWEEISA-N 367.426 4.054 0 40 FIAB CCS(=O)(=O)c1ccc([C@@H](C)N=c2cc(C)[nH]c3ccc(F)cc23)cc1 514828384 BKJAZMHROZSGON-CQSZACIVSA-N 372.465 4.071 0 40 FIAB Cc1cccc(Cl)c1CN[C@@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@H]1O 585283797 COSSDLFOZSBRNG-QRVBRYPASA-N 366.288 4.362 0 40 FIAB CCc1nnc(C2CCN(c3nc4cc(OC)ccc4s3)CC2)s1 2086866192 PWASJLLMPVURHU-UHFFFAOYSA-N 360.508 4.103 0 40 FIAB Fc1ccc(Cc2nnc3sc(Cc4ccccc4Cl)nn23)cc1 632810 CFDNQYSXUUESRU-UHFFFAOYSA-N 358.829 4.160 0 40 FIAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(NC(C)=O)cc1 812658 RILSCBLGXDGPRT-UHFFFAOYSA-N 367.380 4.253 0 40 FIAB O=C(Oc1ccc(I)cc1)c1ccc(Cl)cc1 820121 RWGRRDQBGZNYRS-UHFFFAOYSA-N 358.562 4.164 0 40 FIAB CC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883906 CKXDOBKPRDBQIH-NSHDSACASA-N 369.412 4.169 0 40 FIAB Cc1cccc(C)c1OCCN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1 1080680 RPXYBBAPRXCWBS-DEOSSOPVSA-N 373.452 4.032 0 40 FIAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1nccs1)c1nc3ccccc3nc12 1109634 IBJHAFDFHFGDIG-VQTJNVASSA-N 364.474 4.054 0 40 FIAB Cc1cc2nnc(SCC(=O)OCc3ccccc3)n2c2ccccc12 1924377 KBBNVTNCINQWFA-UHFFFAOYSA-N 363.442 4.026 0 40 FIAB O=C(Nc1cnccc1C(=O)O)OCC1c2ccccc2-c2ccccc21 2585782 FFRCZWIVHLMHDG-UHFFFAOYSA-N 360.369 4.141 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Br)cc1F 2628533 BRROVNYBGGGHRL-OAHLLOKOSA-N 352.203 4.384 0 40 FIAB Cc1cc(OC(F)F)ccc1NC(=O)[C@@H](C)Cn1nc(C)c(Cl)c1C 2805373 IFTWUWGRVZKDJB-JTQLQIEISA-N 371.815 4.338 0 40 FIAB O=C(Nc1ccccc1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 3133834 PIAYGVIIGLUOPB-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB S=C(Nc1ccccc1)Nc1ccccc1I 3160343 LSVZLHKGSVOHOL-UHFFFAOYSA-N 354.216 4.100 0 40 FIAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1O 3308610 LCLKPVNQNSQFRE-UHFFFAOYSA-N 359.466 4.043 0 40 FIAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NC3CC3)nc2c1 3469733 GHOKUMXXXPTRLR-UHFFFAOYSA-N 364.470 4.281 0 40 FIAB CCC[C@H](C)NC(=O)CSc1nnc(Nc2ccc(CC)cc2)s1 3530604 JKNMBWNIJZGCDD-LBPRGKRZSA-N 364.540 4.241 0 40 FIAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCC(C)C)c(C)c32)c1C 4089914 BGFRELOSNBWUIU-UHFFFAOYSA-N 355.434 4.088 0 40 FIAB biogenic CC1CCN(c2ccc(-c3cccc(NC(=O)c4ccco4)c3)nn2)CC1 4939826 UXCWZUFMWPVYFA-UHFFFAOYSA-N 362.433 4.225 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)N1CCC(c2ccccc2)=N1 5297713 OWNGEOBDVNCLEL-UHFFFAOYSA-N 367.499 4.291 0 40 FIAB O=c1c2c3c(sc2ncn1CCOc1ccc(Cl)cc1)CCCC3 5318591 RBEGSJIIKMXHDQ-UHFFFAOYSA-N 360.866 4.069 0 40 FIAB CCSc1nnc(SCc2cc(=O)oc3c(C)c(O)ccc23)s1 5450245 QCUBHYJZPTWWSE-UHFFFAOYSA-N 366.489 4.063 0 40 FIAB COC(=O)c1c(C)cccc1[C@H]1CN=N[C@@]12Cc1ccc(C)c(C)c1C2=O 5539673 RKEMEWKNLCHNAP-VGSWGCGISA-N 362.429 4.126 0 40 FIAB CC(=O)c1cccc(NC(=O)COc2ccc(C3SCCS3)cc2)c1 5584257 NUHDBAGVEWJBTI-UHFFFAOYSA-N 373.499 4.385 0 40 FIAB CCCCOc1ccc(NC(=O)CSCC(=O)c2ccccc2)cc1 5597224 HAIXDQKUBXAQKR-UHFFFAOYSA-N 357.475 4.420 0 40 FIAB COc1cc2c(cc1NC(=S)NC[C@@H]1CCCO1)oc1ccccc12 6274919 FBEXGYWHXGRXTL-LBPRGKRZSA-N 356.447 4.060 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)CSc2ccccc2F)cc1 6404722 LFIQQUDDSSQPNP-UHFFFAOYSA-N 360.454 4.039 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)Sc2cc(C)c3ccccc3n2)cc1 6792956 DXZZGELICBPJBI-OAHLLOKOSA-N 366.486 4.349 0 40 FIAB COc1ccc(NC(=O)CN2CCCSc3ccccc32)cc1Cl 7274262 OMDYIUAHHNUKBF-UHFFFAOYSA-N 362.882 4.290 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2ccccc2)CC1 7909057 XIOJNYIWEQQKOP-UHFFFAOYSA-N 363.486 4.081 0 40 FIAB CCCCc1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 7995771 NWOGUJCBZZJWLK-UHFFFAOYSA-N 358.492 4.185 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)c(C)c1 8041552 GEDKUHPFXQGJEI-QGZVFWFLSA-N 368.477 4.095 0 40 FIAB O=C(Cc1coc2ccc3ccccc3c12)NCCCN1CCCCC1 8278918 WCAXNMWSPHDGTQ-UHFFFAOYSA-N 350.462 4.121 0 40 FIAB Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c(C)c1 8748851 YVQFNAJRESGDLK-UHFFFAOYSA-N 357.475 4.029 0 40 FIAB COc1ccc2sc(N(Cc3ccco3)C(=O)c3cc(C)on3)nc2c1 9206766 KONIMBSHXVPGPA-UHFFFAOYSA-N 369.402 4.041 0 40 FIAB COc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3C)cc1Cl 9212238 VNYXZWOCYHAFLS-UHFFFAOYSA-N 372.860 4.123 0 40 FIAB CSCc1nnc(Sc2ncnc3sc4c(c23)CC[C@H](C)C4)o1 9384486 IOPRGFBPBQAVID-QMMMGPOBSA-N 364.521 4.213 0 40 FIAB CCOc1ccc(Nc2nc(C)c(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1 9939369 HRKDQLFWEZKVSL-UHFFFAOYSA-N 369.852 4.465 0 40 FIAB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCc1ccccc1 10110359 WXYMHMVUFIYCLK-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccc(F)cc1 10382994 BMOAWPKBILZKCU-UHFFFAOYSA-N 356.319 4.226 0 40 FIAB Cc1nn(C)c(Cl)c1/C=C/C(=O)OCc1ccc(C(F)(F)F)cc1 11984899 AZVOXBYVEFLYRZ-BQYQJAHWSA-N 358.747 4.157 0 40 FIAB Cc1nc[nH]c1CN(Cc1ccccc1F)C1CC(C)(C)NC(C)(C)C1 12116738 JUODQOFBLTYNFL-UHFFFAOYSA-N 358.505 4.169 0 40 FIAB Cc1c(C(=O)NCc2noc(-c3ccccc3)n2)[nH]c2c(Cl)cccc12 12203109 VLKBXZFSQPROID-UHFFFAOYSA-N 366.808 4.110 0 40 FIAB Cc1c(C(=O)OCc2ccc(Cl)cc2)nnn1-c1ccc(Cl)cc1 12415639 UJFHQRCAXFYWNL-UHFFFAOYSA-N 362.216 4.240 0 40 FIAB Cc1cc(NC(=O)C2CC2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441818 RZCBDAQEAURVFP-UHFFFAOYSA-N 358.854 4.306 0 40 FIAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(c2nc3ccccc3o2)CC1 12507280 QMQUSUHDWCOJCP-UHFFFAOYSA-N 372.428 4.238 0 40 FIAB c1ccc2c(c1)sc1nnc(SCc3nc(-c4ccsc4)no3)n12 12534619 IROYOKKEONJVMP-UHFFFAOYSA-N 371.472 4.348 0 40 FIAB Cc1ccccc1Nc1nnc(SCc2nccn2C(F)F)s1 12539397 COHDIVGNDFDIKX-UHFFFAOYSA-N 353.423 4.474 0 40 FIAB CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)c1 12796864 QVVZGWKXPVEFPK-HNNXBMFYSA-N 361.445 4.088 0 40 FIAB CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc21 12811258 UDNOJTQIERYNKG-UHFFFAOYSA-N 373.243 4.033 0 40 FIAB O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 13004253 JEGJOYRODOAPEI-INIZCTEOSA-N 373.836 4.184 0 40 FIAB CC(C)CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 13007670 WAVVURXINMQVLF-OAHLLOKOSA-N 357.473 4.445 0 40 FIAB Cc1ccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)c2cccnc12 13013413 RUQVDCIZQCPEKD-UKTHLTGXSA-N 371.440 4.322 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 14235681 WKDVOSINHSVWIW-BBRMVZONSA-N 369.431 4.012 0 40 FIAB Cc1cc(OC[C@@H](O)Cn2c(C3CC3)nc3ccccc32)ccc1Cl 15860790 NCAKIVUEPIGARW-HNNXBMFYSA-N 356.853 4.315 0 40 FIAB COC(=O)c1c(NC(=S)NCc2ccc(Cl)cc2)sc(C)c1C 17075683 QRWMNBXMWUXQLR-UHFFFAOYSA-N 368.911 4.292 0 40 FIAB Nc1cc2ccccc2nc1C1CCN(C(=O)CCC2CCCC2)CC1 19376229 IHQDRSFVOTYEJB-UHFFFAOYSA-N 351.494 4.493 0 40 FIAB Cc1nc(COc2ccccc2)sc1C(=O)N(C)Cc1ccccc1 19688882 OBFJXOXOQZBTMW-UHFFFAOYSA-N 352.459 4.303 0 40 FIAB CN1CCN([C@@H]2Cc3cc(F)ccc3Sc3ccc(Cl)cc32)CC1 19802218 AJXGZNWTRBHLQF-QGZVFWFLSA-N 362.901 4.475 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1Cl 20177117 XGWZPAWRPLBXGG-UHFFFAOYSA-N 354.189 4.343 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C 20899434 OMOCLKHLWDSWOC-MRXNPFEDSA-N 365.433 4.376 0 40 FIAB CC(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C 21596458 PFAJGXZPVTYPCB-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(Cl)cc1 21598673 MAATWNANSHLSAU-NSHDSACASA-N 361.854 4.262 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NCCC2=CCCCC2)o1 21789893 CEKHTHAYEIEJDD-ZDUSSCGKSA-N 361.467 4.125 0 40 FIAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(-c2ccccc2C)o1 23952131 BWJFMZJPHYUPFC-LSDHHAIUSA-N 359.495 4.317 0 40 FIAB CCOc1ccc(NCC(=O)Nc2ccccc2OCC(F)(F)F)cc1 25047663 IZYMIBLMXWVYMC-UHFFFAOYSA-N 368.355 4.077 0 40 FIAB Cc1cccc(Cn2nccc2NC(=O)c2nc(-c3ccccc3)oc2C)c1 30527550 VYIVSHZXWGJKSW-UHFFFAOYSA-N 372.428 4.456 0 40 FIAB Cc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3=O)cc2c1 32854586 SVAXNSKTIYZTFA-UHFFFAOYSA-N 359.429 4.231 0 40 FIAB Cc1ccc(-c2noc(CCC(=O)N(C)[C@@H]3CCc4ccccc43)n2)cc1 32905308 DGWOQAIJZMOWNF-LJQANCHMSA-N 361.445 4.124 0 40 FIAB CCN(Cc1ccc2c(c1)OCCO2)Cc1coc(-c2ccc(C)cc2)n1 40067019 PUOJVZXMVUGUCK-UHFFFAOYSA-N 364.445 4.443 0 40 FIAB Cc1ccc2nc(CNc3ccccc3N(C)c3ccccc3)cc(=O)n2c1 40122936 IHLPOMGMUSMPTH-UHFFFAOYSA-N 370.456 4.383 0 40 FIAB O=C(Nc1cccc2cccnc12)N1CCC(OCc2ccccc2)CC1 43528921 WGPATOVIVCUNOU-UHFFFAOYSA-N 361.445 4.448 0 40 FIAB Cc1n[nH]c2c1[C@H](c1ccc(-c3cccc(Cl)c3)o1)SCC(=O)N2 44890697 LGDYFWKYFRYMHW-INIZCTEOSA-N 359.838 4.406 0 40 FIAB CC(C)c1nc(CS(=O)(=O)Cc2csc(-c3ccco3)n2)cs1 46113357 VTWHGRUAXUCRRH-UHFFFAOYSA-N 368.505 4.098 0 40 FIAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cnns1 48771558 DYVQBLJFFBFKRD-UHFFFAOYSA-N 363.276 4.282 0 40 FIAB O=C(O)/C(=C/c1ccc(N2CCCCC2)o1)Sc1nc2ccccc2[nH]1 50547733 OYNNTLFLORHVAZ-VBKFSLOCSA-N 369.446 4.364 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 51364480 OBSJRZQOMPJBNZ-IBGZPJMESA-N 372.424 4.048 0 40 FIAB CC(C)(NC(=O)CCc1ccccc1Cl)c1ccc2c(c1)OCCO2 58157510 RGESURQYSZDYSY-UHFFFAOYSA-N 359.853 4.095 0 40 FIAB CCCC(=O)Nc1cccc(NCC(=O)Nc2cc(F)ccc2F)c1C 58174346 MLYRTMDBUJUKBH-UHFFFAOYSA-N 361.392 4.062 0 40 FIAB CCCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC 59227001 LCDKTMDKSJSBDP-LFIBNONCSA-N 371.820 4.482 0 40 FIAB CCc1ccccc1N1C[C@@H](C(=O)Nc2c(CC)cccc2CC)CC1=O 59227225 SOEJBVMTVQGMCA-IBGZPJMESA-N 364.489 4.365 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccccc2)nc1C 64473006 HNRCQXFUCXNEME-UHFFFAOYSA-N 353.809 4.366 0 40 FIAB CCCN1CCCC[C@H]1Cc1c(C(=O)NCCOC)sc2ccccc12 72370384 OUVKQPKMPCPJIJ-INIZCTEOSA-N 374.550 4.085 0 40 FIAB CN1CCC2(CC1)CN(Cc1ccc(Cl)cc1)Cc1ccccc1O2 72394171 AYDNCGDLLFDVBH-UHFFFAOYSA-N 356.897 4.199 0 40 FIAB CC(C)C1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)CCCc1cccs1 103264403 VKGCVRFHHGDGCN-GOSISDBHSA-N 354.475 4.315 0 40 FIAB O=C(CCc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 199734121 UNTFQKSINFMFEV-UHFFFAOYSA-N 363.379 4.358 0 40 FIAB COc1cc(CNC(=O)COc2cc(C)cc(C)c2C)ccc1OC(C)C 218967279 DIGXDTJYWSRDNV-UHFFFAOYSA-N 371.477 4.103 0 40 FIAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 223836658 JFWVSTNYRXXSPP-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NC(C)(C)Cc1ccccc1 225411682 TVWVJCMRPYTELO-QGZVFWFLSA-N 351.490 4.470 0 40 FIAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225688425 UHPRGSIRMYUIDS-OAQYLSRUSA-N 364.530 4.187 0 40 FIAB C[C@H](C(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 253623278 OAZITJUUAWYFTF-LHSLKLMXSA-N 360.494 4.066 0 40 FIAB Cc1ccc(C)c(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)c1 408526618 FRFRNPNKTHQERG-UHFFFAOYSA-N 355.385 4.151 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)cc1C 408644980 UCKZDHZOXOVNON-GOSISDBHSA-N 358.441 4.448 0 40 FIAB COCCn1c(C)cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c1C 409148656 ZHDCDFMOSMZURZ-PDGQHHTCSA-N 370.474 4.301 0 40 FIAB CC(C)n1ccc(=NC(=O)N2CCC(c3cccc4ccccc34)CC2)[nH]1 581169552 YQTVXDZYDASKPD-UHFFFAOYSA-N 362.477 4.451 0 40 FIAB O=C(NCC(c1ccco1)c1ccco1)c1ccc(OC(F)(F)F)cc1 675007757 NSZBJSCBZTYCKQ-UHFFFAOYSA-N 365.307 4.333 0 40 FIAB CCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(CC)CC2)cc1 680148 NSWFACSZUSSIEU-UHFFFAOYSA-N 371.912 4.297 0 40 FIAB Cc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1C 959166 GHSONBCFYHGBQB-UHFFFAOYSA-N 373.202 4.392 0 40 FIAB CCOc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(F)cc4)nc3S2)cc1 1468041 YKFVOHSJIAUFDT-INIZCTEOSA-N 369.421 4.360 0 40 FIAB CCCC(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2245176 IJRSKBCSJSTPLE-UHFFFAOYSA-N 357.417 4.197 0 40 FIAB O=C(COC(=O)CCc1nc2ccccc2s1)NC1CCCCCCC1 3240197 CYRQREZTVWXAGD-UHFFFAOYSA-N 374.506 4.001 0 40 FIAB CN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 3297626 BYODQVDXQYGARU-UHFFFAOYSA-N 374.440 4.215 0 40 FIAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 3333008 PBHKCNHWTNPJOO-UHFFFAOYSA-N 366.490 4.313 0 40 FIAB O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)Nc2ccccc21 3530047 CTHHXXYFGDTQHP-JOCHJYFZSA-N 366.424 4.393 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1 4093681 KVTHDEKPOWYYQH-UHFFFAOYSA-N 362.820 4.255 0 40 FIAB CC1(C)C2=C(Cl)[C@H](O)[C@@](Cl)(c3ccccc3)C(=O)N2c2ccccc21 4280428 IPYGTHFYUOHJQC-PXNSSMCTSA-N 374.267 4.270 0 40 FIAB CCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 4816501 XIHMFWRVXCIHMQ-UXHICEINSA-N 360.461 4.454 0 40 FIAB C[C@H](OC(=O)c1cccc(Cl)c1Cl)c1nc2ccccc2c(=O)[nH]1 5355801 UWXURSMCMXHWRV-VIFPVBQESA-N 363.200 4.148 0 40 FIAB CC[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2)c1ccccc1 5476839 GCHOCMSEFSOWOD-TZMCWYRMSA-N 356.491 4.104 0 40 FIAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 5795403 PAVYYHVWSGQLET-KRWDZBQOSA-N 374.824 4.052 0 40 FIAB COC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 5879539 FYYDKTZOAZDWRR-UHFFFAOYSA-N 361.397 4.305 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 6128260 MWWMJNKZVRPPFK-OAHLLOKOSA-N 358.441 4.240 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1ccc(SC)cc1 6362704 WBFWVYOFYQAHRC-IZZDOVSWSA-N 356.443 4.376 0 40 FIAB CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1 6634799 RQRHDJMPZHKERF-OAHLLOKOSA-N 366.490 4.393 0 40 FIAB O=C(c1ccc(Br)cc1)N(Cc1ccco1)Cc1ccco1 6747339 JFPALUFZHTUMPR-UHFFFAOYSA-N 360.207 4.478 0 40 FIAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1F 6758080 WJJOJLBUQJLNRO-UHFFFAOYSA-N 357.816 4.259 0 40 FIAB Cc1ccc(NC(=O)COC(=O)COc2ccc3ccccc3c2)c(C)c1 7061476 LSSBMHFINSQUHX-UHFFFAOYSA-N 363.413 4.017 0 40 FIAB COc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 7510239 LUXNUSCJSRFHFN-UHFFFAOYSA-N 364.188 4.304 0 40 FIAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCCCC1 7642153 LWAPUYPSSTWPAW-UHFFFAOYSA-N 350.462 4.178 0 40 FIAB CCCCc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 8316603 DIOORTMFTXLQOB-GOSISDBHSA-N 354.475 4.471 0 40 FIAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2Cl)cc1 8339227 HRAZJMNGRQNNRW-UHFFFAOYSA-N 374.897 4.479 0 40 FIAB O=C(c1cnn2c(=S)[nH]c(-c3ccccc3)c2c1)c1cc(F)ccc1O 8345953 OXZOYIXTPXOIFQ-UHFFFAOYSA-N 365.389 4.135 0 40 FIAB C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3c2C1 8747578 VDIQDMUMIPILMW-KRWDZBQOSA-N 373.500 4.255 0 40 FIAB O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 8909405 BZDQEBNGVDPSHJ-UHFFFAOYSA-N 366.417 4.156 0 40 FIAB O=C(CCN1CCSC1=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 8923198 GVCLYRUXBUKUJK-SFHVURJKSA-N 374.893 4.105 0 40 FIAB COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1Cl 8935357 VQRWOYTUNULDOH-SECBINFHSA-N 362.838 4.034 0 40 FIAB CCOC(=O)c1ccc(Oc2c(-c3ccc(OC)cc3O)n[nH]c2C)cc1 9109625 BNBYYPNYMGFEDI-UHFFFAOYSA-N 368.389 4.068 0 40 FIAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C(C)C 9462943 AILDIZMIIYEEST-UHFFFAOYSA-N 364.445 4.034 0 40 FIAB Cc1ccc2c(CC(=O)N3c4ccc(F)cc4CC[C@H]3C)cc(=O)oc2c1 9704867 MNWVLTBFBGBWLA-CQSZACIVSA-N 365.404 4.151 0 40 FIAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(F)cc1 12178626 YPKXPLPTMTWKHR-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB CC(C)OCCCNC(=O)c1cccnc1Sc1ccc(Cl)cc1 12748573 JHTHEAFBEVSZKP-UHFFFAOYSA-N 364.898 4.431 0 40 FIAB O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)Nc1ccccc1 12822090 CSFZOYZOCJBQRQ-UHFFFAOYSA-N 368.820 4.214 0 40 FIAB Brc1cccc(-c2nn3c(-c4ccccc4)nnc3s2)c1 13691469 RJJUVYKKVYJTJD-UHFFFAOYSA-N 357.236 4.282 0 40 FIAB O=C(OCc1csc(-c2ccsc2)n1)c1cnn(-c2ccccc2)c1 14702666 USGZRBLJKNYHMD-UHFFFAOYSA-N 367.455 4.414 0 40 FIAB Cc1cc(Cl)cc(C)c1OCC(=O)Nc1cnc2c(cnn2C(C)C)c1 15525355 JCPFYSFIMGKVAS-UHFFFAOYSA-N 372.856 4.300 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCC(C)CC2)cc1 15860300 JLCQXCOSPNGLNM-FQEVSTJZSA-N 370.493 4.190 0 40 FIAB CC(C)Oc1ccc(C(=O)NCCc2ccc(N3CCCC3)cc2)cc1 16847171 RDAHHPJOIRHILO-UHFFFAOYSA-N 352.478 4.047 0 40 FIAB CCCCCNC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1 16849049 IJBURIVGGBYITQ-UHFFFAOYSA-N 360.483 4.026 0 40 FIAB COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 16986082 FYAZOBDWYIAECH-UHFFFAOYSA-N 363.816 4.175 0 40 FIAB NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(CC2CC2)CC1 19700094 WGTKXNROVMDXRY-UHFFFAOYSA-N 366.480 4.013 0 40 FIAB COc1ccc(Nc2ncc3c(n2)C[C@H](c2cccc(C)c2)CC3=O)cc1 20101545 KJAUSKDCBZBMMS-INIZCTEOSA-N 359.429 4.450 0 40 FIAB COc1ccccc1NC1(c2nnnn2-c2ccc(C)cc2)CCCCC1 22434719 TUQORVLHEBIXEK-UHFFFAOYSA-N 363.465 4.251 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)c3cccc(OC)c3)n2)cc1 25022988 AUILYOXUPDARCC-UHFFFAOYSA-N 353.447 4.018 0 40 FIAB CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCc1c(C)noc1C 25056953 OXZAGJUUQVPARN-UHFFFAOYSA-N 373.434 4.119 0 40 FIAB Cc1cc2ncc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)c(C)n2n1 25387462 AAHROQNUUFYCPD-UHFFFAOYSA-N 363.446 4.030 0 40 FIAB Cn1ccnc1[C@@H](NCc1csc(Br)c1)c1ccccc1 30642791 GDEUDASMEPHZFN-HNNXBMFYSA-N 362.296 4.123 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2C)cc1OC 30867652 CBDGQUBODPUOJG-UHFFFAOYSA-N 351.855 4.396 0 40 FIAB COc1ccc(OC)c(NC(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)c1 32777603 SYTLVTBJJGIJSL-SFHVURJKSA-N 374.868 4.133 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)N[C@H](C)CCc2ccccc2)c1 32862656 XJYHNEQCBBQBDE-HZPDHXFCSA-N 356.466 4.085 0 40 FIAB O=C(CCSc1nc(C2CCCC2)n[nH]1)Nc1ccc2c(c1)CCC2 32883968 HZMIMHZUNSBGOK-UHFFFAOYSA-N 356.495 4.072 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1cccc(Cl)c1 32911584 SBCTZVISZMOURA-UHFFFAOYSA-N 353.853 4.197 0 40 FIAB COc1ccc(CC(=O)Nc2ccccc2SC(F)(F)F)cc1OC 32931755 VPSOTHVKVYIBKB-UHFFFAOYSA-N 371.380 4.497 0 40 FIAB C[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)c1ccccc1 33326148 MPFKMNVHHLFJNK-HNNXBMFYSA-N 352.459 4.142 0 40 FIAB Cc1nc(C)c(C(=O)OCc2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 36662546 QMURKBPMIFGAPX-SNVBAGLBSA-N 370.430 4.095 0 40 FIAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc2cc(F)ccc2[nH]1 40110588 OLNPJFXHYSCLFO-UHFFFAOYSA-N 361.376 4.424 0 40 FIAB O=C(/C=C/c1c(F)cccc1F)N1CCC(c2nc3ccccc3[nH]2)CC1 40132722 KFZADGGGKNKJJP-CMDGGOBGSA-N 367.399 4.261 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44899840 OMRROXAPCRKFNL-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 47080928 HGHIACHYBSSSCM-MRXNPFEDSA-N 368.502 4.350 0 40 FIAB Fc1ccc(C(Sc2nc3ncccn3n2)c2ccc(F)cc2)cc1 57991424 JBPDNQKZPXSOJM-UHFFFAOYSA-N 354.385 4.284 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(OC(C)C)s2)c(Cl)c1 58192282 SJDNFBYRRFRUCC-UHFFFAOYSA-N 357.888 4.018 0 40 FIAB Cc1nc2ccc(N[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)cc2s1 69056585 LBEJJZLWSFRHKV-QWHCGFSZSA-N 351.475 4.383 0 40 FIAB Cc1ccccc1NCCC(=O)Nc1cccc(-n2cc[nH]c2=S)c1 69558568 ISPSRRUNMIBBNX-UHFFFAOYSA-N 352.463 4.284 0 40 FIAB CN(Cc1ccccc1F)c1nn2cc(-c3ccc(F)cc3)nc2s1 70039828 AFUYZJVUHTXWIN-UHFFFAOYSA-N 356.401 4.372 0 40 FIAB Cc1cc(Nc2ccccn2)nc([C@@H]2CCCCN2C(=O)CC(C)C)n1 72383714 FYVBMBYZBPDLGC-INIZCTEOSA-N 353.470 4.023 0 40 FIAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccncc1Cl 73057084 BCKKSKFFCMQPGN-HNNXBMFYSA-N 352.768 4.144 0 40 FIAB Cc1ccc(N2CCC(c3nc(-c4cccc(Cl)c4)no3)CC2)nc1 74118999 LKOOWEUWJQLNLJ-UHFFFAOYSA-N 354.841 4.477 0 40 FIAB CC[C@H](C(=O)N1CCC(Nc2cccc(OC)c2)CC1)c1ccccc1 78832420 DBIUWASGSPPZIP-NRFANRHFSA-N 352.478 4.292 0 40 FIAB COc1cc(N)c(C(=O)OCc2ccccc2)cc1OCc1ccccc1 85224148 BZFWMRHSFWDVJI-UHFFFAOYSA-N 363.413 4.213 0 40 FIAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 95392601 BUOUMEJMTLGMNA-QWHCGFSZSA-N 372.519 4.042 0 40 FIAB COC1CCN(c2ccc(NC(=O)Cc3ccccc3Cl)cc2)CC1 96104464 COCGVAIKQTUNOX-UHFFFAOYSA-N 358.869 4.136 0 40 FIAB CCCn1c(=O)c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc21 100676574 KBDWLJPTUPUORV-UHFFFAOYSA-N 356.809 4.023 0 40 FIAB Cc1ccc(-c2ccsc2C(=O)NC[C@H]2COc3ccccc3O2)cc1 104913286 FZPUWXOORIMINY-INIZCTEOSA-N 365.454 4.293 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 219026160 RKHJNPZIZRZGPB-HNNXBMFYSA-N 363.413 4.423 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1cccc(SC)c1)CCCC2 223235268 XEHFZFBKUKZQFD-UHFFFAOYSA-N 363.504 4.097 0 40 FIAB O=C(COc1ccc(Cl)cc1Br)NCC1=CCCCC1 224245956 WGZAJNRXSOYQBH-UHFFFAOYSA-N 358.663 4.098 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 224452640 GTUPPCDRLAAVRH-OAQYLSRUSA-N 355.478 4.218 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(N3CCCC3=O)cc2)c(C)c1 225477690 SNAYVUCIXLAFCD-INIZCTEOSA-N 367.518 4.478 0 40 FIAB CCOc1ccc(NC(=S)NCCCSCc2ccco2)cc1 225593139 UPVFXGYCMHMQCV-UHFFFAOYSA-N 350.509 4.288 0 40 FIAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225621183 CTTYDRJLIALUND-FZKQIMNGSA-N 357.878 4.288 0 40 FIAB CCOC1(C(=O)Nc2ccc(O[C@H](C)COC)c(Cl)c2)CCCC1 225708168 XPXMYUAMVNDYAL-CYBMUJFWSA-N 355.862 4.042 0 40 FIAB CCOc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccn2)cc1OCC 225752354 GSYQDDWBTYEPKE-CQSZACIVSA-N 359.495 4.235 0 40 FIAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(Br)cc1 225781668 MLVMXCNKFYYOPO-LBPRGKRZSA-N 365.296 4.203 0 40 FIAB Fc1ccccc1NC(=S)NCc1nc(-c2cccc(Cl)c2)no1 225832814 WYWASLTZJGOITR-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(C[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C)N=O 245241191 YRZPDZKJZDPQIF-SELGYLMWSA-N 374.525 4.253 0 40 FIAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1ccccc1 253576674 WCLUEMUJRUFLSY-UHFFFAOYSA-N 368.506 4.003 0 40 FIAB Cc1cc(CN(C(=O)c2cn(C)nc2C)C2CCCC2)c2ccccc2n1 329270930 HSNAOPZUUSOHMX-UHFFFAOYSA-N 362.477 4.170 0 40 FIAB Cc1ccc([C@H](c2c[nH]c3ccccc23)C2C(=O)OC(C)(C)OC2=O)cc1 409109381 CODRWPACGCQWME-GOSISDBHSA-N 363.413 4.061 0 40 FIAB Fc1cccc(Cn2cnc(CN[C@@H]3CCc4cc(F)c(Cl)cc43)n2)c1 527890696 CWLMGRDJIHBWGT-GOSISDBHSA-N 374.822 4.035 0 40 FIAB CCN1CCN(C(=O)c2ccc(-c3cccc4cccnc34)cc2)C[C@H]1C 671783710 TWXVMFOSXRARNR-QGZVFWFLSA-N 359.473 4.068 0 40 FIAB Cc1ccc(OC(=O)c2ccccc2I)cc1C 725191 DIENWEWKLPEXHH-UHFFFAOYSA-N 352.171 4.127 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCc2nnc(-c3ccccc3)o2)c1 2617967 NIAVNPLETSWUSG-UHFFFAOYSA-N 360.822 4.469 0 40 FIAB Cc1cccc(-c2nsc(SCC(=O)Nc3nc(C)cs3)n2)c1 2917580 RIJXQKUIXCQTAI-UHFFFAOYSA-N 362.505 4.009 0 40 FIAB COc1ccc([C@@H]2N(c3cccc(C(F)(F)F)c3)C(=O)C2(F)F)cc1 3188513 YAUNSBWZGXWFLB-AWEZNQCLSA-N 357.278 4.437 0 40 FIAB CCCCCOc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 3232839 KWETXVDZUGIKMV-IRXDYDNUSA-N 361.482 4.202 0 40 FIAB COc1ccc(C)cc1NCC(=O)Nc1ncc(Cl)c(C)c1Cl 3315985 FSQRLWBQMGTFMV-UHFFFAOYSA-N 354.237 4.064 0 40 FIAB Nc1nnc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)s1 3325520 RGIFVYGIUXPLSS-UHFFFAOYSA-N 366.471 4.244 0 40 FIAB O=C(NCCOc1ccc(C2CCCCC2)cc1)c1ccc2c(c1)OCO2 3627235 NWGGMUKCEUORFH-UHFFFAOYSA-N 367.445 4.272 0 40 FIAB COc1cc2c(cc1OC)CN(C(=O)c1ccc3[nH]c(C)c(C)c3c1)CC2 4089132 VUEXLOUGBAEPOY-UHFFFAOYSA-N 364.445 4.000 0 40 FIAB biogenic CCOc1ccc(CC(=O)N2CCN=C2SCc2ccccc2C)cc1 4120041 RGMOFXBYLVCFCN-UHFFFAOYSA-N 368.502 4.068 0 40 FIAB O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccccc1 4134970 RWGRDYMWHDBVGB-UHFFFAOYSA-N 361.449 4.243 0 40 FIAB COC(=O)c1ccc(OC)c(CSc2nnc(-c3ccc(C)cc3)o2)c1 4169650 CWGJJGLZRSZJSY-UHFFFAOYSA-N 370.430 4.133 0 40 FIAB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccccc1)N2 4690408 RBZZMEDGXWFIBU-HUUCEWRRSA-N 360.248 4.313 0 40 FIAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)OCC)cc1 4866048 GOBPOBCVPRFTON-QGZVFWFLSA-N 372.387 4.345 0 40 FIAB CC(=O)N(C)Cc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 4943209 XTDMKCVCZBNSBK-UHFFFAOYSA-N 371.868 4.137 0 40 FIAB CCN(CC)C(=O)CSc1nnc2scc(-c3ccc(C)c(C)c3)n12 4967193 ASONGSTUDKJPPD-UHFFFAOYSA-N 374.535 4.035 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1nc2ccccc2s1 5185505 NCQKLITXSDRJAG-MDZDMXLPSA-N 367.426 4.264 0 40 FIAB CCOc1ccc(Oc2ccc(NC(=O)COC(=O)C3CCC3)cc2)cc1 6639924 FKPJMTPNFKVDSH-UHFFFAOYSA-N 369.417 4.159 0 40 FIAB c1coc([C@@H](CNc2ncnc3sc4c(c23)CCC4)N2CCCCC2)c1 6653060 MQTRMCNJOMLINH-OAHLLOKOSA-N 368.506 4.412 0 40 FIAB CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccccc1Cl 6758253 FDYXTCDYKUHKAU-VAWYXSNFSA-N 353.809 4.062 0 40 FIAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(F)c(F)c1 6910300 FDYVCQJTUCHORV-UHFFFAOYSA-N 367.351 4.213 0 40 FIAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Cl)c1OC 7191885 ORJISSFZRWSASQ-IBGZPJMESA-N 372.852 4.476 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)o1 7194072 WWJIGHYZSJWAOL-GFCCVEGCSA-N 354.431 4.490 0 40 FIAB Fc1ccccc1-c1nnc(SCc2nc(-c3ccsc3)no2)o1 7357107 IFJCHJVZZCLCGR-UHFFFAOYSA-N 360.395 4.280 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(C)(C)C)cc1 7420331 AVRGUCXOVKLLLQ-MRXNPFEDSA-N 354.494 4.452 0 40 FIAB Cc1c(Cl)cccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7725705 YJSUZNNMXZUZQZ-UHFFFAOYSA-N 358.825 4.475 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)cc1O 7885237 NICHMRAGVCWJBR-NRFANRHFSA-N 360.413 4.480 0 40 FIAB COCCn1c(SCc2cc(C(C)=O)ccc2OC)nc2ccccc21 8134457 WFMZIGZEILCFLG-UHFFFAOYSA-N 370.474 4.186 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NCC3CCCCC3)n2)cc1 8393876 NYLVJTXYPYIHQZ-AWEZNQCLSA-N 372.538 4.211 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 8434166 INJQIKCCJSZWFI-QZTJIDSGSA-N 374.440 4.011 0 40 FIAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccoc1 10483977 FDNTVHZPGZNMPY-UHFFFAOYSA-N 357.413 4.121 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(F)cc1Cl 10903776 FCTIUPHVDOUNMS-UHFFFAOYSA-N 371.843 4.271 0 40 FIAB CCCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc2nccnc2c1 11027278 VNHYOTZAEIEXCK-NRFANRHFSA-N 358.445 4.416 0 40 FIAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)CC2=O 12402059 FGYMPQQTTTUHCE-SJORKVTESA-N 368.246 4.312 0 40 FIAB Cc1nc(COc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)no1 12687348 NVCAXBAORRHQGS-UHFFFAOYSA-N 361.760 4.002 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1cccc2ccccc12 12740562 OJNXNLBHDHFSKV-ZWKOTPCHSA-N 368.521 4.218 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2cccc(F)c2)c1 12804555 OQUNCYLGHGTMQT-UFUQCMIWSA-N 355.409 4.220 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](c2ccccc2)C1 12853473 HBLILPPGXMQVIY-GOSISDBHSA-N 359.853 4.098 0 40 FIAB CC1CCN([C@H](CNC(=O)NCc2ccccc2)c2cccs2)CC1 13012135 LYAONHUQWBXRRN-GOSISDBHSA-N 357.523 4.021 0 40 FIAB CC(C)Cc1nc2oc3c(=O)n(Cc4ccccc4)cnc3c2c2c1CCC2 13690767 ZQROQFJIQTTWLU-UHFFFAOYSA-N 373.456 4.273 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)c1cc2ccccc2cc1NC(=O)C1CC1 14048536 ZBMVDPMRCBOJQD-UHFFFAOYSA-N 370.412 4.317 0 40 FIAB Clc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)cc1 16523909 MRSOTVHUTUESIK-UHFFFAOYSA-N 374.835 4.317 0 40 FIAB COc1cccc(CN[C@H](Cc2cccs2)c2nccs2)c1OC 19568125 AZNVDZHENRHWMO-OAHLLOKOSA-N 360.504 4.295 0 40 FIAB CNc1cc(CN(C)CCC2=C(C)CCCC2(C)C)nc([C@@H]2CCCN2)n1 19760756 NFTXFLPREKVANC-IBGZPJMESA-N 371.573 4.291 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccccc1C 20111719 YOFLHFNXGRJODE-IBGZPJMESA-N 355.478 4.300 0 40 FIAB CN(C)CCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 22075074 HRAVFNHYAZGLDV-UHFFFAOYSA-N 353.293 4.224 0 40 FIAB COc1ccc(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1 22373878 ZLFNPQAACJUJGQ-UHFFFAOYSA-N 351.368 4.006 0 40 FIAB Cc1ccc2c(CC(=O)NCc3coc(-c4cccs4)n3)coc2c1 23195102 AWRRBLXBISQKQO-UHFFFAOYSA-N 352.415 4.317 0 40 FIAB COc1ccc([C@@H]2CCCCCN2C[C@@H](O)COc2ccccc2F)cc1 25302149 IXBUGEWJPBWPTL-NQIIRXRSSA-N 373.468 4.191 0 40 FIAB Cc1noc(C)c1COc1ccc(CN[C@H]2CCOc3ccccc32)cc1 25357577 VGPXCCOLDVANFB-NRFANRHFSA-N 364.445 4.484 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1C(F)(F)F 25917754 QNTNANQMBKFLTA-ZDUSSCGKSA-N 374.366 4.119 0 40 FIAB C[C@H](NC(=O)CCSc1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 27685714 BSEIZOMRDQBASJ-NSHDSACASA-N 365.401 4.053 0 40 FIAB COCc1ccccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 31875925 NGMYOXMUOHNRRT-UHFFFAOYSA-N 360.385 4.487 0 40 FIAB C[C@@H](NC(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccco1 32745305 YNDYCZXAIDEEHL-MRVPVSSYSA-N 370.261 4.432 0 40 FIAB Cc1ccc(C2CC(=O)N(c3cccc(Br)c3)C(=O)C2)cc1 32985345 DUMAVAVPOUEVEL-UHFFFAOYSA-N 358.235 4.195 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCc2sccc2[C@H]1C 40040584 ZFJSIIUCYQMICS-CYBMUJFWSA-N 352.459 4.400 0 40 FIAB Cc1[nH]c2ccc(F)cc2c1CC(=O)Nc1cc2c(cc1Cl)OCCO2 40070162 LAUZQYGYUUDLNQ-UHFFFAOYSA-N 374.799 4.221 0 40 FIAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)NCC1CCC1 47053328 ZJUNHKSVOLUSTJ-INIZCTEOSA-N 365.477 4.441 0 40 FIAB CCN(C(C)=O)c1nc(CN2CCC[C@H]2CCc2ccccc2)cs1 48251736 WNKATZPANNULAE-IBGZPJMESA-N 357.523 4.113 0 40 FIAB O=C(O)c1cnc(COc2ccccc2Cl)nc1NCc1ccccc1 49469873 GZQSEIQBWKJCCU-UHFFFAOYSA-N 369.808 4.019 0 40 FIAB CCc1ccsc1C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 53057153 XRJYRHQGVUWTPN-UHFFFAOYSA-N 363.429 4.324 0 40 FIAB CC[C@@H](C)N1COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C1 57135508 QYRGTDJDSNPGQZ-CQSZACIVSA-N 365.429 4.419 0 40 FIAB biogenic CN(CCc1ccccc1)c1ncc(-c2ncc[nH]2)c(-c2ccc(F)cc2)n1 57761960 KZHKVRHPTVZBQZ-UHFFFAOYSA-N 373.435 4.352 0 40 FIAB O=S(=O)(Nc1cnc2ccccc2c1)c1cc(Cl)ccc1Cl 64734963 KORLAIYENSBULC-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB O=C(OCc1ccc(Cl)s1)[C@H](c1ccccc1)N1CCCCC1=O 66656038 SLEWZISHUSNYSR-KRWDZBQOSA-N 363.866 4.199 0 40 FIAB Cc1ccccc1Oc1ncccc1CNC(=O)c1ccc2cccnc2n1 67843232 KFCDQIMYIZLEFI-UHFFFAOYSA-N 370.412 4.056 0 40 FIAB CC(C)c1ccc(Sc2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)cc1 73665949 VGULCALKELGSNO-OAHLLOKOSA-N 357.479 4.052 0 40 FIAB CC(C)c1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(O)c1 76486462 WHIUYGMRHURPMY-OAQYLSRUSA-N 353.462 4.101 0 40 FIAB Cc1nc2ccc(C(=O)N[C@H]3CCCC[C@H]3C(F)(F)F)cc2nc1C 84057398 ORFLPOQQXYESCQ-KGLIPLIRSA-N 351.372 4.098 0 40 FIAB Cc1ccc2c(c1)[C@H](CC(=O)O)CC21CCN(C(=O)OC(C)(C)C)CC1 91302775 ZXASCEXLGZLAJN-OAHLLOKOSA-N 359.466 4.226 0 40 FIAB in-vitro c1ccc(-c2cc3c(N4CCc5c(ncn5C5CC5)C4)ncnc3s2)cc1 95394227 BTDKFCGZNZDOMH-UHFFFAOYSA-N 373.485 4.452 0 40 FIAB COc1ccc(CCC2CCN(C(=O)c3cc(C(C)C)no3)CC2)cc1 95959410 KEGWFGRMSSCCPF-UHFFFAOYSA-N 356.466 4.292 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3cccc(Oc4ccccn4)c3)CC2)c1 96122689 WMDSQTDSVDUPAN-UHFFFAOYSA-N 373.456 4.145 0 40 FIAB C[C@H]1ON=C(c2ccccc2Cl)[C@H]1C(=O)NCc1ccc(Cl)cc1 100262491 NSECQABYXXMANU-BZNIZROVSA-N 363.244 4.049 0 40 FIAB CCOC(=O)C(=O)[C@H]1CCc2c([nH]c3ccc(C4CCCCC4)cc23)C1=O 100541932 ILIBTDGADGVARC-INIZCTEOSA-N 367.445 4.093 0 40 FIAB O=S(=O)(c1ccc(Cl)c(Cl)c1)n1ccnc1-c1ccccc1 107743108 WZPYBIPTJQKRGP-UHFFFAOYSA-N 353.230 4.094 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1csc(-c2ccoc2)n1 108256163 UJSIOGNFIGRTGV-QGZVFWFLSA-N 355.463 4.499 0 40 FIAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@@H](F)C[C@]4(C)[C@H]3CC[C@@]21C 118927219 WACIVNIHJKQSFP-ODZXRKDKSA-N 350.474 4.478 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218973221 FYDWRSVDHORQKO-APWZRJJASA-N 353.462 4.489 0 40 FIAB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 223788839 FBHXTVYVBBGCOY-OAHLLOKOSA-N 361.869 4.426 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)c1 224426107 JDQLSIZIZLWDCP-IBGZPJMESA-N 355.478 4.191 0 40 FIAB COc1ccc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C 224894721 ZESUJVPQORGSGM-UHFFFAOYSA-N 353.340 4.474 0 40 FIAB COc1ccc(C(=O)NCCSCc2cccc(Cl)c2)cc1F 225388071 KFSCMKDMTYQAKX-UHFFFAOYSA-N 353.846 4.151 0 40 FIAB COc1ccc([C@H](C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1 225467672 WEYRUWOJQPPKEO-ZDUSSCGKSA-N 367.474 4.300 0 40 FIAB COC(=O)N1CCc2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C1 225623840 WIJDYILRCBFIQM-UHFFFAOYSA-N 372.852 4.036 0 40 FIAB COc1cc(C)c(C(=O)NCc2nc(-c3ccccc3)no2)cc1C(C)C 225669689 SJRWSILJTOVCIG-UHFFFAOYSA-N 365.433 4.107 0 40 FIAB Cc1cc(Nc2cnccn2)cc(C2CCN(CCc3ccccc3)CC2)n1 257266325 MCNPNCLNBQCVNH-UHFFFAOYSA-N 373.504 4.346 0 40 FIAB CCOc1ccc(-c2ccc(OC(=O)c3cccc(Cl)c3)nn2)cc1 408531721 XAZHLADZEWCJGP-UHFFFAOYSA-N 354.793 4.415 0 40 FIAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408555521 XKCSRKDILLUHIV-UHFFFAOYSA-N 368.842 4.018 0 40 FIAB C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409003743 UPMJHLYZNRPRHC-INIZCTEOSA-N 360.413 4.469 0 40 FIAB C[C@H](CC(=O)Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cccnc1 532696202 VMGUWMAFCIWVJB-MRXNPFEDSA-N 362.429 4.499 0 40 FIAB COC(=O)[C@](C)(CCF)NC(=O)c1ccc(-c2cccc(C(C)C)c2)o1 598282473 AEQZQFRRDKODRU-FQEVSTJZSA-N 361.413 4.091 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)[C@@H](C)N3CCCCCC3)s2)cs1 603825734 VOYDTTBOWPTSAI-CYBMUJFWSA-N 363.552 4.061 0 40 FIAB CCN(Cc1cscn1)[C@@H]1CCOC2(CCN(c3ccccc3)CC2)C1 643913064 QVMMSGYPAJNZOS-HXUWFJFHSA-N 371.550 4.183 0 40 FIAB O=C(Nc1ccc(Br)c2ncccc12)N[C@@H]1CCCSC1 667864223 SYNARVKJOQTQCG-SNVBAGLBSA-N 366.284 4.014 0 40 FIAB O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@]1(O)C1CCCCC1 857382 OLDPCUPPSHWTCH-INIZCTEOSA-N 374.790 4.373 0 40 FIAB CCN(CC)c1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 1244195 PDBXZRDQBLMKFR-UHFFFAOYSA-N 356.495 4.245 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CNc2cc(F)ccc2C)C1=O 2119903 RLPSKKOHOPCBPB-MFOYZWKCSA-N 372.421 4.249 0 40 FIAB O=C(O)/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1 2140877 UBCXJOCGMOANTK-FPYGCLRLSA-N 351.171 4.265 0 40 FIAB Cc1cccc(-c2nnc3sc(Cc4noc5c(C)cccc45)nn23)c1 2183289 QUHPLFPWJMMMFK-UHFFFAOYSA-N 361.430 4.202 0 40 FIAB COc1ccc(-c2nnc3c4ccccc4c(-c4ccc(O)cc4)nn23)cc1 2206916 HDYASHFCUORKJO-UHFFFAOYSA-N 368.396 4.326 0 40 FIAB Cc1ccc(C(=O)Nc2ncn(Cc3c(Cl)cccc3Cl)n2)cc1 2795687 SZBOVVOKTZCPTL-UHFFFAOYSA-N 361.232 4.194 0 40 FIAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccn1 3233263 CIUDZOGPGCRYLT-UHFFFAOYSA-N 362.410 4.068 0 40 FIAB COc1ccc(OCCSc2nnc3c(Cl)cc(Cl)cn23)cc1 3404003 BOMVZLXOFZFRNV-UHFFFAOYSA-N 370.261 4.216 0 40 FIAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccc2ccccc2c1 3479442 FWSPKFVAVMENOR-UHFFFAOYSA-N 362.410 4.245 0 40 FIAB O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1cccc(F)c1 3582175 AOXAMEGFKYDBKZ-UHFFFAOYSA-N 358.376 4.326 0 40 FIAB CC(=O)OC[C@]12CO[C@H](c3ccccc3OC(C)=O)[C@H](C(C)=C[C@H]1C)[C@@H]2C 4025865 ZWLSDBYOOPGGSP-SPLWUESBSA-N 372.461 4.081 0 40 FIAB CCCCN1C(=O)[C@@](O)(c2ccc(C)cc2)c2cc(Br)ccc21 4108717 QNUYPYNMWADARV-LJQANCHMSA-N 374.278 4.140 0 40 FIAB COc1ccc(CC(=O)N2CCN=C2SCc2ccccc2Cl)cc1 4120280 RMCZVLDMBBMHQH-UHFFFAOYSA-N 374.893 4.023 0 40 FIAB COc1ccc(CC(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 5083457 JBTFEMGYBHRNTL-UHFFFAOYSA-N 363.442 4.253 0 40 FIAB CCOc1c(Br)cc(C(=O)NC2CCCCCC2)cc1OC 5443353 ASVPZHOWUVJGMP-UHFFFAOYSA-N 370.287 4.309 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(N)=O)C1 5469635 LBKPEDRCLBQKHX-GFCCVEGCSA-N 363.527 4.206 0 40 FIAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1 6658876 SORRCFVXHLUUQO-UHFFFAOYSA-N 372.881 4.349 0 40 FIAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(C)c(Cl)c2)C(C)C)cc1 6778433 XTTZAMUKOYAUMH-SFHVURJKSA-N 374.868 4.050 0 40 FIAB O=C(COc1cccc2ccccc12)Nc1nc(-c2cccnc2)cs1 6830950 UCUKCRRCQBAKQQ-UHFFFAOYSA-N 361.426 4.376 0 40 FIAB CCc1ccccc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 6879103 FQYPSYFPJIZQQC-UHFFFAOYSA-N 369.515 4.473 0 40 FIAB Cc1ccc(NC(=O)N2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)cc1 6922918 HOFHJTHCMJEAOG-UHFFFAOYSA-N 367.537 4.361 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C[C@H](O)COCc1ccccc1 6939087 WAYZABODHJKSJA-INIZCTEOSA-N 354.277 4.003 0 40 FIAB C[C@@H](Sc1nncs1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 7195066 KHYRYFCECOGJOJ-HTQZYQBOSA-N 362.307 4.203 0 40 FIAB Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2C)c1 7406755 XMYXBRQBZDNWGS-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB COc1ccccc1OCCCn1c([C@H]2CCCO2)nc2ccccc21 7425451 OUYHSXBGFDKBDB-HXUWFJFHSA-N 352.434 4.366 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC(F)F 7886252 WRYNUCZFLNXYTP-QGZVFWFLSA-N 360.360 4.026 0 40 FIAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc(Cl)c1 7927173 LMOIPLUOEIPERM-INIZCTEOSA-N 364.898 4.021 0 40 FIAB CCc1noc(C)c1C(=O)N[C@H](c1ccccc1)c1ccc(OC)cc1 7987543 VXHKGVWDQLPPMF-HXUWFJFHSA-N 350.418 4.073 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1 7987549 CDCSBVSZVMLMOE-UHFFFAOYSA-N 356.451 4.115 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 7987846 SCFKAAGZJJXWLD-UHFFFAOYSA-N 360.417 4.120 0 40 FIAB Cc1c(CSc2nnnn2C2CCCC2)noc1-c1ccc(F)cc1 8231237 UXIFGUGSBCMYPU-UHFFFAOYSA-N 359.430 4.183 0 40 FIAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 8262912 VCIPBFUIFJZZED-IBGZPJMESA-N 366.852 4.110 0 40 FIAB CC[C@H](CO)NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8326991 RWOXUULJHXUMOH-LJQANCHMSA-N 353.437 4.418 0 40 FIAB CCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1Cl 8339434 UVSJOGDTMBHOFO-UHFFFAOYSA-N 374.897 4.479 0 40 FIAB Cc1ccc(-c2nnc(SCCCOc3ccccc3C=O)n2C)cc1 8731738 NQIRSAWZFYQADQ-UHFFFAOYSA-N 367.474 4.164 0 40 FIAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccncc3)ccc2o1 9659985 XMCVJDSJHBDOGG-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB biogenic CCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 9757430 DTWGQURLWJYWCB-LBPRGKRZSA-N 359.376 4.321 0 40 FIAB COC(=O)C1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1 10542167 KCFHVZCAPUWAGX-UHFFFAOYSA-N 369.486 4.004 0 40 FIAB Cc1cc(NC(=O)C2CCCC2)n(-c2nc(-c3cccs3)cs2)n1 11693790 WFJWDUOEIPXLTI-UHFFFAOYSA-N 358.492 4.494 0 40 FIAB O=C(CSCc1cccc(C(F)(F)F)c1)Nc1ccc2c(c1)OCO2 12552659 FGJIIZPRENJCLC-UHFFFAOYSA-N 369.364 4.306 0 40 FIAB Clc1ccccc1-c1ccc(CN2CCN(c3ncccn3)CC2)s1 12906933 VRKHABYFPYDDJT-UHFFFAOYSA-N 370.909 4.181 0 40 FIAB CCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 13284342 LUDTUYOSUUTCDQ-UHFFFAOYSA-N 351.475 4.362 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 13669797 CGBZNBPYIMGFLX-OAHLLOKOSA-N 361.507 4.422 0 40 FIAB O=C(Nc1ccc(F)cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14169828 CEBXSINKBDXDRC-UHFFFAOYSA-N 365.412 4.455 0 40 FIAB COc1ccc(NC(=O)Cc2sc(C)nc2-c2cccs2)cc1OC 15840193 NMTHVIQIAAWYSE-UHFFFAOYSA-N 374.487 4.378 0 40 FIAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)c(C)c1 19933566 KWUFWYCMXNXFKP-ZDUSSCGKSA-N 355.862 4.277 0 40 FIAB CCOc1ccc(CCC(=O)N(C)Cc2ccccc2OC)cc1OCC 20458956 CGTBKHXXBMBHEI-UHFFFAOYSA-N 371.477 4.084 0 40 FIAB Cc1cnc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 21759196 RJPBKIIIUUDUKV-UHFFFAOYSA-N 369.371 4.230 0 40 FIAB Cc1ccc(-c2nc(COC(=O)CCn3nc(C)cc3C)cs2)cc1 22989317 QPCYAEOHZLTWGE-UHFFFAOYSA-N 355.463 4.065 0 40 FIAB O=C(NCC1(c2cccs2)CCOCC1)c1ccc(F)cc1Cl 23238075 ITGCXGGGFMKAIT-UHFFFAOYSA-N 353.846 4.019 0 40 FIAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1cc2ccccc2o1 23951982 YZELCPSWSNIZBG-UGSOOPFHSA-N 370.474 4.126 0 40 FIAB CC(C)Nc1nnc(SCCCc2nc(-c3cccs3)no2)s1 24144341 CBYIOZLJVKUWTK-UHFFFAOYSA-N 367.525 4.195 0 40 FIAB COc1cc(CN[C@H]2CCCc3ccccc32)cc(OC)c1OC(F)F 25259807 OWCSKKVTSYORBU-INIZCTEOSA-N 363.404 4.472 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1 27378857 PYXBAQMQYCTTPB-OAHLLOKOSA-N 356.491 4.192 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1C 27662208 DETFMHPBWNHLAB-UHFFFAOYSA-N 351.406 4.393 0 40 FIAB O=C(OCc1cccc2cccnc12)c1ccc(N2CCCCC2=O)cc1 29901303 CMYFAFVSDPFWHP-UHFFFAOYSA-N 360.413 4.109 0 40 FIAB Cc1cc(S(=O)(=O)Nc2cccnc2)c(C(C)C)cc1Br 32602038 SVIBHNPXLRBGMO-UHFFFAOYSA-N 369.284 4.077 0 40 FIAB Cc1nn(C[C@@H](C)C(=O)NCc2ccccc2C(F)(F)F)c(C)c1Cl 32611385 FFBNXLLCOACGLM-SNVBAGLBSA-N 373.806 4.125 0 40 FIAB COc1cc(Br)c(CNc2ccc(F)c(F)c2)cc1OC 35040147 WTUWKYBKWOOFSC-UHFFFAOYSA-N 358.182 4.357 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 35289616 QAXNNASGXMNBKA-GOSISDBHSA-N 351.450 4.247 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(c2cccc(Cl)c2)CC1 35441175 ZFIOAHWRTKDETO-UHFFFAOYSA-N 367.880 4.135 0 40 FIAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccc(F)c2F)c1 36357772 DZLPQKAPSLGZAE-CQSZACIVSA-N 355.344 4.283 0 40 FIAB C[C@@H](C(=O)NCCCCOc1ccc(Cl)cc1)n1cnc2ccccc21 36398215 OCDCZHQQMVFGEK-HNNXBMFYSA-N 371.868 4.226 0 40 FIAB CCc1ccc2nc(C(=O)OC)cc(Nc3cc(OC)cc(OC)c3)c2c1 38653214 ACFZWEKDAYHZSZ-UHFFFAOYSA-N 366.417 4.345 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 38787427 HPNVNPMUAOPLOP-OVCLIPMQSA-N 370.456 4.396 0 40 FIAB Cc1cc(C(N)=O)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 40088490 XXRSKPUGWBYZJK-UHFFFAOYSA-N 354.793 4.260 0 40 FIAB CCOc1cc(Cl)c(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1Cl 41095153 WYKPHKFUWHPJDY-NSHDSACASA-N 374.289 4.432 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44845367 NWYFHXLPVBUSLJ-MRXNPFEDSA-N 371.477 4.129 0 40 FIAB O=C(CC1(C(=O)O)CCCCCC1)Nc1ccc2oc(C3CC3)nc2c1 46834796 PADFTMWMNQJOHU-UHFFFAOYSA-N 356.422 4.459 0 40 FIAB COc1cc(NC(=O)NCCO[C@H]2CCCC[C@@H]2C)c(OC)cc1Cl 48234346 NIJMHYVCTJWCHM-WFASDCNBSA-N 370.877 4.074 0 40 FIAB N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3cccs3)cc2F)N1 48367225 HTDHVYVUBUJFKP-KRWDZBQOSA-N 363.421 4.401 0 40 FIAB Cc1nnc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)s1 50288523 LZQJDQUSZSUAOG-UHFFFAOYSA-N 350.856 4.184 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 54277815 PTYYXMGTRFJCDW-UHFFFAOYSA-N 374.448 4.067 0 40 FIAB Cc1ccc(C)c(OC[C@H](O)Cn2c(-c3ccoc3)nc3ccccc32)c1 58162756 IWEUAUTVCZQTEQ-GOSISDBHSA-N 362.429 4.353 0 40 FIAB COc1ccc(N(C)C(=O)COc2ccc3oc4ccccc4c3c2)cn1 58271005 SCNQQPRRGTXAEI-UHFFFAOYSA-N 362.385 4.031 0 40 FIAB CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1F 58476526 UTEYVIPUPGFXCG-RTBURBONSA-N 352.453 4.188 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)C1(C)C 60535516 XWQAUUUIXIFMIN-QFBILLFUSA-N 354.494 4.408 0 40 FIAB CCCCc1nc(C)c(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)s1 63957974 FCBGYFJBMSXZAY-UHFFFAOYSA-N 364.515 4.140 0 40 FIAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(-c2ccccc2)cc1 72034177 FWWBEELMNVVCRF-UHFFFAOYSA-N 354.409 4.307 0 40 FIAB Cc1cc([C@@]2(c3ccc(C)c(O)c3)C(=O)N(C)c3ccccc32)ccc1O 78502954 AFODVFFYBYIWDP-QHCPKHFHSA-N 359.425 4.025 0 40 FIAB CCC(=O)Nc1cccc(C(=O)N[C@H]2CCCC[C@H]2OCCC(C)C)c1 89941787 RRMMJWCNFXNKMN-RBUKOAKNSA-N 360.498 4.139 0 40 FIAB C[C@@H](NC(=O)C1CCCC1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 96296840 VJQCSZPUDUCYOG-SNVBAGLBSA-N 362.813 4.061 0 40 FIAB biogenic,in-vitro COc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)C 96635052 ZLMJNSIQKDBYQU-MHWRWJLKSA-N 371.820 4.480 0 40 FIAB COc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2cccs2)c1 97165231 XMCPOQHRAYIOSZ-MRXNPFEDSA-N 352.415 4.341 0 40 FIAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 100174685 CPVAUVXVNODHPE-LBLXLQPISA-N 355.743 4.060 0 40 FIAB Cc1cc(=O)oc2cc(NC(=S)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)ccc12 101115512 WJCKIJRHIKLOKZ-WBOJAVRRSA-N 356.491 4.213 0 40 FIAB O=C1/C(=C/c2ccsc2)NC(=S)N1c1ccccc1C(F)(F)F 102226252 PKTBXSIKSOGEIN-XFFZJAGNSA-N 354.378 4.029 0 40 FIAB CC(C)C1=NN(c2ccccc2)C(=O)[C@H]1C(=O)CCCc1cccs1 103264406 VKGCVRFHHGDGCN-SFHVURJKSA-N 354.475 4.315 0 40 FIAB NC(=O)/C=C\c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 208759401 FGDXQVZYKLZMIA-UTCJRWHESA-N 360.129 4.226 0 40 FIAB CCCOc1ccc(C(=O)Nc2nnc(SCC(C)C)s2)cc1 223316752 XVGYWXCRWUYRNF-UHFFFAOYSA-N 351.497 4.327 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)s1 223843578 DTFVMCNBOKDTNU-ROUUACIJSA-N 367.499 4.334 0 40 FIAB COc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1Cl 224186770 WGNASEBKSZOVEF-UHFFFAOYSA-N 354.233 4.119 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)NCCCc1ccccc1 224669382 DKHBAXLSCQNMJQ-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 224977645 CUOJYPZDGLTVDO-BGYRXZFFSA-N 364.533 4.380 0 40 FIAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cccc(Cl)c1Cl 225750108 HURHDVVVGOAEME-UHFFFAOYSA-N 365.191 4.086 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 225899141 SVVMUPMUQGHRPG-GFCCVEGCSA-N 356.809 4.495 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1C 226253031 AQNSSINCUFYNAQ-QGZVFWFLSA-N 367.493 4.282 0 40 FIAB C[C@@H]1[C@@H](NC(=O)CCCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CCC[C@H]1C 248049480 APIOFWMIYQNSTG-UIQSMRFCSA-N 364.574 4.429 0 40 FIAB O[C@H](COCC[C@@H]1C[C@H]2CC[C@H]1C2)CN1CCC(Cc2ccccc2)CC1 252506169 RDXQFUZNRUQJIT-XQUALCHDSA-N 371.565 4.145 0 40 FIAB Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)cc1 306130795 JPRHDBHXYVCDAO-OAQYLSRUSA-N 365.502 4.095 0 40 FIAB O=C(C[C@@H](c1ccsc1)n1cccc1)Nc1n[nH]c(C2CCCCC2)n1 524734310 RVPDEWXTAFSCGJ-INIZCTEOSA-N 369.494 4.334 0 40 FIAB Cc1ccc2c(C(=O)N3[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]3C)csc2c1 553899734 HLKUTQMWPXEYOI-HUUCEWRRSA-N 372.534 4.317 0 40 FIAB Cc1nn(CCNC(=O)Cc2ccccc2Cl)c(C)c1-c1ccsc1 575616073 VPKORARCVROAFR-UHFFFAOYSA-N 373.909 4.241 0 40 FIAB O=C(NC[C@@H](c1ccco1)c1cccs1)c1cc(-c2ccco2)on1 585146725 HQFLGKYWRFZFSX-LBPRGKRZSA-N 354.387 4.151 0 40 FIAB O[C@@]1(COc2ccccc2F)CCCN(Cc2ccc3[nH]ccc3c2)CC1 585271340 WVEJGCLUKIIZRJ-QFIPXVFZSA-N 368.452 4.103 0 40 FIAB C1CCC(c2nc([C@H]3CCCN(Cc4noc5c4CCCC5)C3)n[nH]2)CC1 679175165 PUQQWBIKGVHIBN-INIZCTEOSA-N 369.513 4.099 0 40 FIAB C[C@@H]1CC[C@H](NC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)[C@H](C)C1 1126139551 QWZCIBOPTBBEMR-NFAWXSAZSA-N 365.399 4.446 0 40 FIAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC(Nc2ccccn2)CC1 1178095135 SWAGYWHTZSEMEP-UHFFFAOYSA-N 357.457 4.465 0 40 FIAB O=C(Cn1c(=O)sc2ccccc21)Nc1cc(Cl)ccc1Cl 681971 MLFCKZRTNMGQIC-UHFFFAOYSA-N 353.230 4.009 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 799806 YUIQPTFKGFRAJZ-QGZVFWFLSA-N 371.893 4.080 0 40 FIAB COc1ccc2nc3sc(C(=O)Nc4ncc(C)s4)c(N)c3cc2c1 917610 AOMPENXPTDLYEZ-UHFFFAOYSA-N 370.459 4.058 0 40 FIAB Cc1ccc(OCc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 2419682 WAEDADJFXNGZNK-UHFFFAOYSA-N 356.838 4.394 0 40 FIAB Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCc2ccccc2)cc1 2706854 BVNAICZJLNJJFT-UHFFFAOYSA-N 357.409 4.304 0 40 FIAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccccc1OC(F)F 3282383 PTTJJLWKHWBQRR-UHFFFAOYSA-N 371.339 4.237 0 40 FIAB Cc1sc2ncnc(OCC(=O)c3cc(C)n(C4CC4)c3C)c2c1C 3358160 MNTZBCGTEPWJLI-UHFFFAOYSA-N 355.463 4.323 0 40 FIAB COc1cccc(/C=C(/C(=O)OCC(=O)C(C)(C)C)c2ccccc2)c1 3396783 IPCXQACCOJSIRN-XMHGGMMESA-N 352.430 4.394 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)N(C)Cc2c(F)cccc2Cl)cc1 3430335 PUTNWCNGCKXTGP-GFCCVEGCSA-N 362.832 4.141 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@@H](C)[C@@H]3O 3870291 NIDRYBLTWYFCFV-SOZUMNATSA-N 370.445 4.380 0 40 FIAB O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccccc1 4119822 JMRRUVCHEPQJOL-UHFFFAOYSA-N 364.392 4.451 0 40 FIAB O=C(CCn1c(=O)sc2ccccc21)Nc1cccc(Cl)c1Cl 4121593 YTPGKFLZAVNKGV-UHFFFAOYSA-N 367.257 4.399 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cc(F)cc(F)c1 4741907 IFWJUSPIGSLSSR-GOSISDBHSA-N 369.371 4.167 0 40 FIAB CC[C@H](C)OC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1 4832464 ATVQCPSTHQBYQA-FBCYZOTFSA-N 352.430 4.226 0 40 FIAB CCN(CC)C(=O)Cn1c(C)c(/C=C/C2=CCN(C)CC2)c2ccccc21 4933147 DOYMXLPGZRSIKS-VAWYXSNFSA-N 365.521 4.093 0 40 FIAB Cc1occc1-c1nnc(SCc2coc(-c3cccs3)n2)n1C 4947707 OZRRNCIKNWOTLT-UHFFFAOYSA-N 358.448 4.392 0 40 FIAB Cc1cc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)nc(C)n1 4967289 UDINWFLUBMNJTK-UHFFFAOYSA-N 373.500 4.246 0 40 FIAB CCOc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 6207587 FKLFJMMCXFBUNY-UHFFFAOYSA-N 371.477 4.174 0 40 FIAB Cc1ccc(NC(=O)CNc2ccc(Cl)cc2)c(Br)c1 6509405 AYMSPMBHXGCIBL-UHFFFAOYSA-N 353.647 4.462 0 40 FIAB Cc1nc(-c2cccc(NC(=O)Cc3ccc4c(c3)OCCO4)c2)cs1 6647700 IXSXOLKUXDKMCS-UHFFFAOYSA-N 366.442 4.071 0 40 FIAB Cc1occc1-c1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)o1 7086612 OSPXEMNXZYIVNF-MRXNPFEDSA-N 369.446 4.094 0 40 FIAB CCOc1ccc(C(=O)COC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 7734964 RLAKPCTYTDQNIT-UHFFFAOYSA-N 351.402 4.223 0 40 FIAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 7736393 LYLHGBKRGBSAII-INIZCTEOSA-N 355.463 4.197 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1 7773983 FCBGHDRFHXZURG-ZDUSSCGKSA-N 372.519 4.280 0 40 FIAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1 7882290 LKBMVYKBPOHEQX-SFHVURJKSA-N 358.441 4.448 0 40 FIAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8087823 YBJDDIRXQIBNJG-INIZCTEOSA-N 370.880 4.456 0 40 FIAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccccc2)cc1 8476496 JCOGDJVBDYRIES-UHFFFAOYSA-N 360.461 4.305 0 40 FIAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1ccc[nH]1 8708278 MGVWQGZXPCHQNQ-UHFFFAOYSA-N 374.469 4.161 0 40 FIAB COc1ccccc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 8903610 BYTXPYRKYIUDGF-UHFFFAOYSA-N 370.430 4.122 0 40 FIAB C[C@H](Sc1ncnc2ccsc12)C(=O)Nc1c(F)cccc1F 8940210 QCXNESQEOZJCPJ-QMMMGPOBSA-N 351.403 4.089 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C 11327501 FFHLVXFHIJGZPA-UHFFFAOYSA-N 367.836 4.272 0 40 FIAB Cc1nc(NC(=O)COc2ccc(Cl)cc2)sc1-c1ccccn1 12510862 PRTPEXODURYROT-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB C[C@H]1CN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 12807534 HHDDNLWOSWAREP-RYUDHWBXSA-N 356.413 4.438 0 40 FIAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(Cl)c1Cl 12862527 NHAXTCYRPOVOBN-UHFFFAOYSA-N 363.244 4.272 0 40 FIAB O=S(=O)(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(F)cc1 12878959 IHRLZSZSEPCRCQ-QGZVFWFLSA-N 365.426 4.094 0 40 FIAB C[C@@H](NC(=O)CN(C)Cc1cccc(Cl)c1Cl)c1cccs1 12884555 QCIZQLONABBDOE-LLVKDONJSA-N 357.306 4.364 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 14404568 VRFMVWSTVPUHGW-UHFFFAOYSA-N 374.400 4.277 0 40 FIAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1ccccc1 16850308 IZHCCMMXAHXOIB-UHFFFAOYSA-N 371.893 4.442 0 40 FIAB COc1ccc([C@H]2CCCN2Cc2c(C)nc3c(C)cccn23)cc1OC 19658982 FAVGLHLLQACRIO-GOSISDBHSA-N 365.477 4.305 0 40 FIAB C[C@@H](c1cccs1)N(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 24538493 AXFLRIGJKWUJJZ-ZDUSSCGKSA-N 364.898 4.131 0 40 FIAB CCc1ccc(-c2noc(CCC(=O)N[C@H](C)c3ccccc3F)n2)cc1 24968925 ZJEZMZQNCAGRRN-CQSZACIVSA-N 367.424 4.248 0 40 FIAB O=C(CCCNC(=O)c1ccco1)N[C@H](c1ccccc1)C1CCCCC1 32379625 JVEILELOTWBKHS-OAQYLSRUSA-N 368.477 4.227 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1cccc(OC[C@@H]2CCCO2)c1 32776621 OAYJGSKYQXLFNV-HNNXBMFYSA-N 363.816 4.218 0 40 FIAB Cc1ccc(CN2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)cc1 39766637 JYVFOKCCJXKXBB-UHFFFAOYSA-N 368.496 4.095 0 40 FIAB O=C(CCc1ccccc1O)N1CCC[C@@H]1c1ccc(Br)cc1 55860648 UROFAKSGEOHCOJ-QGZVFWFLSA-N 374.278 4.451 0 40 FIAB CCc1ccsc1C(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1 57237022 FBKCNAYARQWMNV-UHFFFAOYSA-N 355.419 4.112 0 40 FIAB CCn1c(CN2CCN(c3ccccc3Cl)CC2)nc2cc(F)ccc21 60375385 ZFLKWOBCEYPIHK-UHFFFAOYSA-N 372.875 4.171 0 40 FIAB COC(=O)c1occc1COC(=O)c1c[nH]cc1-c1ccc(Cl)s1 62514541 XMSLXPZOFIXNAJ-UHFFFAOYSA-N 365.794 4.133 0 40 FIAB COc1ccccc1Nc1nnc(SCc2cnc(C)s2)s1 65533988 ISIIBEJJPUMPDK-UHFFFAOYSA-N 350.494 4.348 0 40 FIAB C[C@H](NCc1cccc(Cl)c1Cl)c1ccc(NS(C)(=O)=O)cc1 69421051 AYLYSIZQGDAGOE-NSHDSACASA-N 373.305 4.216 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCCNC(=O)OC(C)(C)C 69980013 XHEWKBUQSLHDSK-UHFFFAOYSA-N 362.514 4.247 0 40 FIAB COc1cc(C(=O)N[C@@H](CCN(C)C)c2ccc(F)cc2)cc2occc12 72259204 QOSSCLHFSXLUCW-SFHVURJKSA-N 370.424 4.003 0 40 FIAB Cc1nc(-c2ccccc2)oc1C(=O)N1CCCN(C)c2ccc(F)cc21 73916363 FOGJEGNISFIXSE-UHFFFAOYSA-N 365.408 4.276 0 40 FIAB O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1cccs1 75164176 CHJWELNZXSVMAU-UHFFFAOYSA-N 353.447 4.388 0 40 FIAB C[C@H]1C[C@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CCN1C 76021759 UEEMZVARDQTTSH-DZGCQCFKSA-N 373.324 4.094 0 40 FIAB CCc1nnc(-c2ccc(NC(=O)CCCOc3ccc(F)cc3)cc2)o1 76089241 VAJJVUIUOSCVOM-UHFFFAOYSA-N 369.396 4.236 0 40 FIAB COCc1cc(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)ccc1F 78051650 CDCNYKCVFPKFPL-UHFFFAOYSA-N 353.397 4.027 0 40 FIAB Cc1cc(C)nc(NNC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)n1 84114525 RQJSWKOSJRYAQA-UHFFFAOYSA-N 371.444 4.009 0 40 FIAB Cc1csc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c1 90607580 IRBKJMBKJBWRCD-UHFFFAOYSA-N 370.396 4.154 0 40 FIAB COCOc1ccc(OC)cc1CNc1cnn(-c2ccccc2Cl)c1 92569062 RPZVPFBJZYBQDV-UHFFFAOYSA-N 373.840 4.129 0 40 FIAB Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCCN(C)C)c1 95467123 MWZNJIZVUFCYLV-UHFFFAOYSA-N 363.449 4.065 0 40 FIAB CCCCn1c(=O)c(C(=O)Nc2cc(C)cc(C)c2)c(O)c2ccccc21 100709994 DFQSBEGXOIKFCZ-UHFFFAOYSA-N 364.445 4.376 0 40 FIAB Cc1cccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)c1 102846337 ZFKPGZZZCZSKCQ-SNEKZUEESA-N 370.884 4.174 0 40 FIAB COc1ccc([C@@H]2CCCN2CC(=O)N(C)[C@H](C)c2ccccc2)cc1 104714533 CQONTXQPANSLNX-UTKZUKDTSA-N 352.478 4.052 0 40 FIAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Cn2ccnc2)cc1 117603842 USACOUHCJPGZKT-UHFFFAOYSA-N 353.425 4.436 0 40 FIAB Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)sc1C 152698644 IWUOUICYQOFSHK-HNNXBMFYSA-N 352.463 4.127 0 40 FIAB O=C(c1ccc(Cl)s1)N(CCc1cccs1)C1CCOCC1 206676938 SJSWHZDXEJRYJR-UHFFFAOYSA-N 355.912 4.327 0 40 FIAB O=S(=O)(c1cccc(Cl)c1)N1CCS[C@H](c2ccccc2)CC1 208044397 SAXFWVLXONZGFG-KRWDZBQOSA-N 367.923 4.209 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1cn2c3c(cccc3c1=O)CC2 223092201 JFWJUSHJOFSADM-UHFFFAOYSA-N 359.212 4.117 0 40 FIAB COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1C 223319208 JZUNOBRINABMTD-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB COc1ccc(CNC(=S)Nc2ncc(Cl)c(C)c2Cl)cc1 223925478 VHQJKNUWPKLTLX-UHFFFAOYSA-N 356.278 4.192 0 40 FIAB CCOc1ccc(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)cc1C 224637690 INGQWSSJKYQTMM-QGZVFWFLSA-N 357.450 4.292 0 40 FIAB O=C(NCC1=CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225102496 YCBHDVVCRXGEKQ-RGEXLXHISA-N 366.486 4.136 0 40 FIAB S=C(NCCC1=CCCCC1)Nc1ccc(Oc2ccccc2)nn1 225187307 DBZICJIKNWSLAA-UHFFFAOYSA-N 354.479 4.446 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2ccccc2Cl)c(C)c1 225372118 HFJHUMPSOVLZTC-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB O=C(NC[C@H](O)c1csc2ccccc12)c1ccccc1C(F)(F)F 225693351 XRFYCWPVILXCCC-HNNXBMFYSA-N 365.376 4.384 0 40 FIAB CO[C@@H](CNC(=O)CSc1ccc(F)cc1)c1ccc(Cl)s1 225702504 AVUGUNDHCQACOF-LBPRGKRZSA-N 359.875 4.137 0 40 FIAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c(C)n1 225865341 HTRZZDMEOHDDCV-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB CCOc1ccc(C(C)C)cc1S(=O)(=O)N(CC)Cc1ccccc1 231424174 UVBXCQHKIKNNPQ-UHFFFAOYSA-N 361.507 4.420 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3C(=O)C[C@@]2(C)C1 245241100 XJADJSSOKJQZDB-FATSCRLESA-N 360.494 4.099 0 40 FIAB C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@H]3[C@H]1CC[C@@H]2O 253393404 SORISAYAZBCIQH-XKTXQELYSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro COc1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)C(C)C 257238246 HKCQPAKUAFZZCM-FECNSGNYSA-N 371.521 4.350 0 40 FIAB CC(C)C(=O)N[C@]1(C)C[C@H](c2cccc(C(=O)O)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257283619 OZAZZILKRVRDTI-DHSNVRAJSA-N 373.493 4.182 0 40 FIAB CCO[C@@H](C)c1nc(Cc2nc(-c3cccnc3OC(C)C)no2)cs1 508677950 IISCKXWAUDBUAL-LBPRGKRZSA-N 374.466 4.064 0 40 FIAB Cc1cnc(-c2nccnc2[C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)[nH]1 585182581 ZEUZGAJSYASKFB-QGZVFWFLSA-N 372.476 4.036 0 40 FIAB CN(CCc1ccccc1)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O 585289569 KEDYESRCQRSRLQ-PWRODBHTSA-N 359.897 4.175 0 40 FIAB O=C1S/C(=C/c2ccccc2F)C(=O)N1C(=O)c1ccc(Cl)cc1 670416573 XDAUFJMWFNSUOS-NTEUORMPSA-N 361.781 4.356 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)Cc2ccsc2)N1c1ccc(F)cc1 1615158335 MDXLTGQMCWRDKY-OALUTQOASA-N 372.509 4.478 0 40 FIAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccc1 870520 VJTGDIBDSTXDDU-UHFFFAOYSA-N 352.463 4.004 0 40 FIAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1c(F)cccc1F 1036235 BVCQFCRBKQLKCJ-UHFFFAOYSA-N 363.751 4.240 0 40 FIAB Cc1cc2ccccc2n2c(SCC(=O)OC3CCCCC3)nnc12 1223171 UGWFECUMCUCNAW-UHFFFAOYSA-N 355.463 4.159 0 40 FIAB Cc1ccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 1377721 XPTPURYEAYOIHR-OALUTQOASA-N 369.534 4.460 0 40 FIAB COc1ccc(NC(=O)/C=C/c2cccc(Br)c2)c(OC)c1 2585144 KFLFCBZRKLLDAW-RMKNXTFCSA-N 362.223 4.118 0 40 FIAB Cc1ccccc1NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 3229648 KCCHWOIKDKZQAI-MDZDMXLPSA-N 363.335 4.209 0 40 FIAB COc1ccc(OC)c(C(=O)CSc2ccc(Br)cc2)c1 3243563 VNLREYJEVQDXNU-UHFFFAOYSA-N 367.264 4.441 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)C1CCCCC1 3895782 OKQROKZDECFTIY-SFHVURJKSA-N 360.498 4.135 0 40 FIAB Cc1cccc(NC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1 4505692 HLBYBBMMSZWPIF-UHFFFAOYSA-N 350.418 4.027 0 40 FIAB Cc1ccc(-n2c(S[C@@H](C)C(=O)N3CCCC3)nc3ccccc32)cc1 4829682 GUCWQTITOHFNMT-INIZCTEOSA-N 365.502 4.437 0 40 FIAB COc1ccc([C@H]2SCC(=O)N2CCOc2ccc(Cl)cc2)cc1 5720569 BSQHZXCBZSCTLN-GOSISDBHSA-N 363.866 4.002 0 40 FIAB CCOc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 6606060 RELRUQPUZUPNMM-UHFFFAOYSA-N 368.216 4.222 0 40 FIAB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(CC)CC)c2C)cc1 6629778 VKFLVDPVHMOGAJ-RGEXLXHISA-N 365.477 4.268 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)S[C@@H](C)C(=O)N2 6678896 ITVRHVUHBLHFBK-SCLBCKFNSA-N 367.449 4.483 0 40 FIAB Cc1cccc(Nc2nnc(SCC(=O)OC(C)(C)C)s2)c1C 6784816 VMCVGLYBXMBDGT-UHFFFAOYSA-N 351.497 4.332 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccccc2)c(F)c1 7275099 RYIPNWVCKNRGOO-UHFFFAOYSA-N 354.425 4.496 0 40 FIAB O=C(CSc1nnc(C2CC2)o1)N(c1ccccc1)C1CCCCC1 7289815 WTCJWPJVRXGQLA-UHFFFAOYSA-N 357.479 4.405 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)s2)cc1 8160586 RPQIPMMUJHSDHT-NSHDSACASA-N 350.871 4.063 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(F)cc1 8303247 FXMHHWWVRKYCEK-LBPRGKRZSA-N 373.815 4.339 0 40 FIAB CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1 8769842 PLVILVARWPZHQN-UHFFFAOYSA-N 353.447 4.206 0 40 FIAB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1 8769863 VYSCIWQGGPGWPF-UHFFFAOYSA-N 351.431 4.010 0 40 FIAB Cc1c(C(=O)NC[C@H](c2ccco2)N2CCCC2)oc2c(F)cccc12 9217457 REDDHUPTSFSQBW-MRXNPFEDSA-N 356.397 4.040 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3cccc(C)c3)n2)c(OC)c1 9314280 XAXRPSDKLGDSIF-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(CSc2ccccc2)s1 9355807 HJPFRCIGQKDSJQ-CYBMUJFWSA-N 371.487 4.236 0 40 FIAB CCCN(CCC)C(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1 9784744 GJBSDVQEYNWSAT-UHFFFAOYSA-N 374.510 4.287 0 40 FIAB Cn1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2ccccc21 10550546 GKIVWPIAMSFDTK-UHFFFAOYSA-N 359.385 4.276 0 40 FIAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3C)ccc21 10972097 KPWXHZDBIQLODZ-UHFFFAOYSA-N 352.434 4.019 0 40 FIAB Clc1cc(CSC2=N[C@@H]3CCCC[C@H]3N2)cc2c1OCCCO2 11171234 FOUHDBFLDFIKGS-ZIAGYGMSSA-N 352.887 4.005 0 40 FIAB Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2scnc2C)cc1C 12145618 IVNLJULBFUDFBB-QGZVFWFLSA-N 366.490 4.061 0 40 FIAB O=c1[nH]c(CSc2ncc(-c3ccccc3)n2C2CC2)nc2ccccc12 12188927 PHHSHMKEEJHCSK-UHFFFAOYSA-N 374.469 4.414 0 40 FIAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1ccccc1 12444146 CYDSZDFSIUFXEH-UHFFFAOYSA-N 368.483 4.299 0 40 FIAB O=C(NCCCn1ccc2ccccc21)c1ccc(Br)cc1 12517379 MIWCJNRTSXVAAZ-UHFFFAOYSA-N 357.251 4.224 0 40 FIAB COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12756139 FGAYAZWYSIDZNU-UHFFFAOYSA-N 364.449 4.459 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 13003891 UWYGSPRKUUBARD-AWEZNQCLSA-N 356.853 4.256 0 40 FIAB Cc1ccc(N2N=N[C@@H]3CC[C@H](C4=CCCC4)[C@@]32N2CCOCC2)cc1C 13302916 QREAMPJMFCEADK-VSKRKVRLSA-N 366.509 4.408 0 40 FIAB COc1cccc2cc(C(=O)NCCc3c[nH]c4ccc(F)cc34)oc12 13731254 JBCVUEYGAVXXNA-UHFFFAOYSA-N 352.365 4.034 0 40 FIAB CCc1ccc(S(=O)(=O)NCC2(c3cccs3)CCCC2)s1 13804495 SQWIZEDAUSYQMA-UHFFFAOYSA-N 355.550 4.162 0 40 FIAB CN(Cc1ccc2ccccc2c1)C(=O)c1ccc2c(c1)NC(=O)CS2 14136222 HKYALZHTBSGSTP-UHFFFAOYSA-N 362.454 4.156 0 40 FIAB O=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1cccs1 14706689 DMQIMNSQNZVGRE-UHFFFAOYSA-N 362.501 4.236 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 14833515 VLGDZANQODSOHR-FMIVXFBMSA-N 354.837 4.228 0 40 FIAB CCOc1cccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)c1 15017839 GPUYZEDXPOUJGK-INIZCTEOSA-N 360.251 4.151 0 40 FIAB COc1ccc(CNC(=O)c2ccc(-c3ccccc3)nc2C)cc1OC 17298883 VNVGDPMEGBIDSP-UHFFFAOYSA-N 362.429 4.004 0 40 FIAB Cc1noc2nc(C3CCN(Cc4ccncc4)CC3)cc(C(F)F)c12 19565099 VFMROSXUJPIUBF-UHFFFAOYSA-N 358.392 4.243 0 40 FIAB Cc1ccnn1[C@H](C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 19716705 SISYPCBMZCPHLS-OAHLLOKOSA-N 353.397 4.109 0 40 FIAB CC(C)OCCCNC(=O)c1cn(Cc2ccccc2)c2ccccc12 21703548 YIBOZYNKPKDAHI-UHFFFAOYSA-N 350.462 4.235 0 40 FIAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 22526500 RKEVITIOAHBGPV-UHFFFAOYSA-N 372.852 4.265 0 40 FIAB CCc1nn2c(=O)cc(CSc3ccc4ccccc4c3)nc2s1 24077791 TWBTZSSLJAFRPF-UHFFFAOYSA-N 353.472 4.159 0 40 FIAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(-n2cccn2)cc1 24571322 KEWWTOCWEYPWTR-UHFFFAOYSA-N 366.471 4.239 0 40 FIAB COc1c(Cl)cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1Cl 25331045 ATBQAEIVYBGKKA-AWEZNQCLSA-N 373.305 4.096 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1F 26160979 HOBQGVLTMHHQIQ-ZDUSSCGKSA-N 360.816 4.088 0 40 FIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccc1 27822823 BTIKPPCJFKVZJY-UHFFFAOYSA-N 367.898 4.306 0 40 FIAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 27921927 HSEYFPPUQOEQKH-VQTJNVASSA-N 363.436 4.430 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCSCc1ccco1 31251975 FJBIYYKSOGRUEN-CYBMUJFWSA-N 353.871 4.058 0 40 FIAB COc1ccc(-c2cc3ncnc(N[C@@H](C)[C@@H]4CCCO4)c3s2)cc1 31526878 IQGTXRJGOQYWJB-LRDDRELGSA-N 355.463 4.346 0 40 FIAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCC3)[C@H]2C)OCO4)c1 31860859 NRMLCSNFBPYZRW-CUJSYCCXSA-N 367.445 4.006 0 40 FIAB Cc1cc(C)nc(SCC(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)n1 33215421 RMASUQCOLBCWHK-UHFFFAOYSA-N 370.478 4.263 0 40 FIAB Fc1ccc(COc2ccc(C(=S)N3CCOCC3)cc2Cl)cc1 33586481 XCJSKSKNRHBSOB-UHFFFAOYSA-N 365.857 4.066 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C)c2C)cc1 35289620 HNNNTTQIPVFXHZ-LJQANCHMSA-N 351.450 4.247 0 40 FIAB CC(C)(C)CC(=O)Nc1c(F)cc(C(=O)Nc2nccs2)cc1F 35308313 KEUJAGGJGBWRFC-UHFFFAOYSA-N 353.394 4.048 0 40 FIAB Cc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCCC4)c(=O)c23)cc1 35672386 PHHKPXSKZOJMNP-UHFFFAOYSA-N 365.433 4.364 0 40 FIAB C[C@H]1CC[C@@H]2[C@@H]3CC[C@H]([C@H](C)C(=O)O)[C@]3(C)CC(=O)[C@]23CCC[C@H](C1)O3 36372175 XDDNRKFJOAQYQX-AIMPMBGASA-N 362.510 4.457 0 40 FIAB COc1ccc(CN(C(=O)c2cc(OC)cc(OC)c2)[C@@H](C)C2CC2)cc1 40056890 ZAOOBRLPAQNESR-HNNXBMFYSA-N 369.461 4.153 0 40 FIAB Cn1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c2ccccc21 40312473 UJOVHKPBAWCBQR-UHFFFAOYSA-N 351.837 4.286 0 40 FIAB biogenic C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)Oc1ccc(Cl)cc1 41155671 XOZAXRIQSNAYKX-ZDUSSCGKSA-N 356.809 4.192 0 40 FIAB COc1ccc(N[C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)c(OC)c1 42471136 WRELWDLYWGMJNC-GFCCVEGCSA-N 357.385 4.374 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccc(N2CCCC2=O)cc1)c1cccs1 43573856 BPVJNQFLJUWKLU-SFHVURJKSA-N 357.479 4.394 0 40 FIAB CC(C)CN1CCC(NC(=O)N(C)Cc2cccc(Cl)c2Cl)CC1 45463734 QKEVXOUEFYIJTM-UHFFFAOYSA-N 372.340 4.255 0 40 FIAB CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1ccc(F)cc1 48286982 QVIDURKWMVBKHH-UHFFFAOYSA-N 351.425 4.224 0 40 FIAB CCN(CC)Cc1ccccc1NCC(=O)N1c2ccccc2CC[C@@H]1C 59803377 VXXPUEFIWRVCBE-SFHVURJKSA-N 365.521 4.308 0 40 FIAB COc1ccc([C@H]2CCCCCN2C(=O)NCc2c(C)noc2C)cc1 71826964 NKWREYGKPAUAEQ-LJQANCHMSA-N 357.454 4.127 0 40 FIAB CC(C)c1nccn1-c1cncc([C@@H]2CCCN(C3CCCCC3)C2)n1 72355521 XNVDQWVKMOKSNP-QGZVFWFLSA-N 353.514 4.298 0 40 FIAB CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2c(F)cccc2Cl)CC1 75134595 YJOXMRKKOUXAGW-HXUWFJFHSA-N 366.908 4.482 0 40 FIAB COC(=O)C[C@@H](NC(=O)Nc1sc2ccccc2c1Cl)C1CC1 79058516 SAOKKWMDZCIDKR-LLVKDONJSA-N 352.843 4.018 0 40 FIAB CCS(=O)(=O)c1ccc(NCc2ncc(-c3ccccc3C)o2)cc1 80756067 ZRTWELRXXHBCBE-UHFFFAOYSA-N 356.447 4.056 0 40 FIAB CCCN(Cc1ccccc1)C(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F 89958954 RCFNEDJVWKLJEL-SFHVURJKSA-N 369.383 4.167 0 40 FIAB O=C(c1ccc(-c2cccs2)cc1)N1C[C@H]2CNC[C@H]2c2ccccc21 96157005 SXLZOEUGHZXZSO-IEBWSBKVSA-N 360.482 4.379 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 100620885 GQMANWRTWLKWFJ-QETMQDACSA-N 352.478 4.436 0 40 FIAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 105114785 TVEUJATXEMQPRR-IJEWVQPXSA-N 363.523 4.115 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1OCC 219509659 RSRQWLIRARGIFX-KRWDZBQOSA-N 371.477 4.185 0 40 FIAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1C)c1ccc(C)c(C)c1 222619575 IAKLYQPLOLMTBU-GOSISDBHSA-N 361.507 4.358 0 40 FIAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)s1 223521767 KVLHPRSGKXEQIC-MSOLQXFVSA-N 366.515 4.019 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc2ccccc2c1 223616110 DQGBHTAPPRUBLN-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB CC[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(OC)c(C)c1 224334880 XZZYLFWPYNUWPN-NRFANRHFSA-N 366.505 4.481 0 40 FIAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)c(C)c1 224850853 VZJQLNPWORQQPO-IBGZPJMESA-N 366.461 4.012 0 40 FIAB CNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948343 SEIYAVVHEABUHP-UHFFFAOYSA-N 357.207 4.131 0 40 FIAB Cc1ccccc1CSCC(=O)Nc1nnc(SCC(C)C)s1 225144790 KSTOHCPEARJLGD-UHFFFAOYSA-N 367.565 4.467 0 40 FIAB COc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)cc1Cl 225453358 ZQCFWJDMZFKCTG-UHFFFAOYSA-N 372.881 4.021 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)CCc2ccccc2)c1C 225513931 YAXMGMIRZRUVJS-AWEZNQCLSA-N 356.491 4.089 0 40 FIAB CC[C@H](CNC(=S)Nc1ccc(OC)c(OC)c1)Cc1ccccc1 225630456 VCOADALKSCUJCK-HNNXBMFYSA-N 358.507 4.259 0 40 FIAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c(C)c1C 225685209 RWLASDWCEUETIH-SFHVURJKSA-N 361.507 4.378 0 40 FIAB CO[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1ccc(Cl)s1 225704232 GLQKRSAVWHTDDT-LBPRGKRZSA-N 362.253 4.240 0 40 FIAB CCOc1cccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c1 225740764 JCKGBEVDPVDKHI-INIZCTEOSA-N 369.534 4.213 0 40 FIAB COc1cccc(Cc2cnc([C@H]3CCN(Cc4scnc4C)C3)o2)c1 257324001 WMTOMTRORHELOB-INIZCTEOSA-N 369.490 4.028 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)S1 260775230 PUOHFDIUCRDOIH-MDASCCDHSA-N 364.474 4.114 0 40 FIAB c1ccc(CN2CC[C@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cc1 306123629 ASMUXSWGROAPSN-NRFANRHFSA-N 354.457 4.386 0 40 FIAB CC(C)n1ncc2c1-c1ccccc1OC21CCN(Cc2ccccn2)CC1 306132960 LXNPIOPQTCRDIV-UHFFFAOYSA-N 374.488 4.410 0 40 FIAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(Br)cc1F 408628600 VGOIIJRODDYXJO-UHFFFAOYSA-N 367.243 4.023 0 40 FIAB CCCOc1ccc(NC(=O)N2CCC[C@@H](n3ccnc3)C2)cc1Cl 601128172 LYPDBALJGCELCU-OAHLLOKOSA-N 362.861 4.194 0 40 FIAB O=C(Cc1cccc2ccccc12)NCc1cncc(-c2cccnc2)c1 675008341 SLXGDZBTDIKYOM-UHFFFAOYSA-N 353.425 4.156 0 40 FIAB Cc1ccc(-n2cc(C(=O)N[C@H](C)[C@H]3CCCCO3)c(C(C)(C)C)n2)cc1 679082162 HCZVRJAKFYPZRY-VQIMIIECSA-N 369.509 4.166 0 40 FIAB NC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)sc2c1CCCC2 803425 PZPZCOBYTYRHMZ-UHFFFAOYSA-N 369.273 4.285 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 856420 PGIUEEWWCAHVHW-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB COc1cccc(OC)c1C(=O)Nc1ccc(Br)c(Cl)c1 1042306 FEZHAOWBNYIGST-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB c1ccc2c(c1)OC1(CCNCC1)N1N=C(c3cccc4ccccc34)C[C@@H]21 1250112 HZOPGDLJKXQZMH-QFIPXVFZSA-N 369.468 4.463 0 40 FIAB CCC(=O)N(Cc1ccccc1Cl)Cc1cc2cccc(C)c2[nH]c1=O 1346775 KIPPLXUHAFFKKY-UHFFFAOYSA-N 368.864 4.429 0 40 FIAB CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 2373664 GOECNYYIXGRBNW-UHFFFAOYSA-N 374.444 4.103 0 40 FIAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1cccc(Cl)c1 2468240 WMQXDXKHVIPEAL-UHFFFAOYSA-N 361.829 4.396 0 40 FIAB Cn1c(SCCOc2ccc(Cl)cc2)nnc1-c1ccc(F)cc1 2623940 KTTVTHRAXGKTOQ-UHFFFAOYSA-N 363.845 4.446 0 40 FIAB CCCCCC(=O)N[C@@H](Oc1ccc(OC)cc1)C(Cl)(Cl)Cl 2702011 DVGQUBALBDTDFF-AWEZNQCLSA-N 368.688 4.467 0 40 FIAB Cc1ccc([C@@]2(C(F)(F)F)NC(=O)c3ccc(OC(C)C)cc3O2)cc1 3180027 MWZFEPPQJKXDFO-GOSISDBHSA-N 365.351 4.320 0 40 FIAB COc1ccc(C)cc1NCC(=O)NC(c1ccccc1)c1ccccc1 3340229 UZJUDJZRQWBRHF-UHFFFAOYSA-N 360.457 4.321 0 40 FIAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cc(F)ccc1F 3440770 NUSBRBOOSDESRP-UHFFFAOYSA-N 371.412 4.398 0 40 FIAB CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4592889 GFFYXPWATCZTPU-LOHFZDIYSA-N 369.461 4.098 0 40 FIAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 4863075 WHYKFLXIHKKUGJ-LJQANCHMSA-N 367.880 4.305 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2=O)cc1 5441199 USCBCZQFRDSSNL-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccco2)cc1 5451827 QZGBMSKBVBBDKI-JOCHJYFZSA-N 374.440 4.326 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1cccc(C)c1 6243066 ZCINXQQFCYTKIL-OAHLLOKOSA-N 356.491 4.401 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2cc(C)cc(C)c2o1 6811329 VAGKNKJQUSXEAJ-UHFFFAOYSA-N 357.793 4.324 0 40 FIAB Cc1ccc(Sc2ccc(/C=C(\Sc3nnc(C)[nH]3)C(=O)O)o2)cc1 6841808 LGZDNLHQKRBHKC-ZROIWOOFSA-N 373.459 4.384 0 40 FIAB COc1ccc(C)cc1NC(=O)Cn1ccc2cc(Br)ccc21 6965051 NQHYGSOEXNEKLO-UHFFFAOYSA-N 373.250 4.360 0 40 FIAB FC(F)Oc1ccc(NC(=S)N[C@H]2CCOc3ccccc32)cc1 7143748 DZBARUSIRMGYQH-AWEZNQCLSA-N 350.390 4.098 0 40 FIAB O=c1[nH]c(CN2CCc3ccccc32)nc2sc(-c3ccccc3)cc12 7285458 PNUPLQZYQHRGAO-UHFFFAOYSA-N 359.454 4.214 0 40 FIAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 7928983 VYXOGUARQHALMW-HZPDHXFCSA-N 367.445 4.167 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 8041425 QLTHSJCUBZGEJJ-DNVCBOLYSA-N 354.450 4.011 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1C 8265177 YLCMBJUDGPWSBW-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1nnc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)o1 8753983 RBDCMVHCJUXNJU-IUODEOHRSA-N 370.482 4.075 0 40 FIAB CC(C)(C)c1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1 9038856 PALLGCRUWPOIEL-MRXNPFEDSA-N 365.477 4.159 0 40 FIAB Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)c1 9627757 WBXLSEMUKBJAAJ-UHFFFAOYSA-N 365.458 4.193 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1COc2ccccc2O1 10421587 PKJMADBKAQYWSM-HXUWFJFHSA-N 372.380 4.273 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1Cl 11246802 YIOIIFUONPOUNV-SFHVURJKSA-N 366.852 4.199 0 40 FIAB C[C@H]1SC(=N)N(c2ncc(Cc3ccc(Cl)c(Cl)c3)s2)C1=O 11689758 OHPJAZIDHPVACJ-SSDOTTSWSA-N 372.302 4.444 0 40 FIAB CCc1nc2ccc(NC(=O)c3nc(-c4ccc(F)cc4)oc3C)cc2[nH]1 12116928 QDFPRXWZGSSWLG-UHFFFAOYSA-N 364.380 4.480 0 40 FIAB Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(C1CCCCC1)C(=O)O3 12755151 UZOPMEFSWUQMRQ-UHFFFAOYSA-N 362.433 4.376 0 40 FIAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)Cc4ccccc4)[C@H]3C=C12 12881239 XXGSVFUSBZGYSU-MHXAIHSWSA-N 351.490 4.353 0 40 FIAB biogenic COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccc(O)c3)C[C@@H]21 13036464 BIVJBBJTYUCXAR-SIKLNZKXSA-N 373.412 4.038 0 40 FIAB CCCN1CCn2c(nc3cc(NC(=O)c4ccccc4Cl)ccc32)C1 13733486 UPMZOSIOWSRZDN-UHFFFAOYSA-N 368.868 4.168 0 40 FIAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccccc2)cc1 14609512 BUEMBRWGIMQELN-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB CSc1ncc(C(=O)NCCc2cccc(Cl)c2)n1-c1ccccc1 15544213 AKKCIWKZMKPZAP-UHFFFAOYSA-N 371.893 4.220 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c2cccnc12 15840780 RTEHCVKBYPZIJM-CQSZACIVSA-N 366.417 4.048 0 40 FIAB CCONC(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 17821395 KRHXSUWGFOPUAE-UHFFFAOYSA-N 369.368 4.096 0 40 FIAB O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)c(Cl)c1 18276672 OFWNHJRFPIFZCA-UHFFFAOYSA-N 351.214 4.216 0 40 FIAB O=C1CCC[C@@H]2[C@H](C[C@H](c3ccccc3F)N2C(=O)CCC2CCCC2)N1 19713822 DZKXMJRITDSZHM-XUVXKRRUSA-N 372.484 4.107 0 40 FIAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20044423 YMQPXELWEAUWNF-SFHVURJKSA-N 366.505 4.199 0 40 FIAB COc1ccc([C@H](C)NC(=O)COc2cccc3ccccc23)cc1OC 20481300 BQKGZRKOTQMCRT-HNNXBMFYSA-N 365.429 4.113 0 40 FIAB Cc1cccc(NC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3C)c1 22508270 FPAGHSZNGOVHPB-UHFFFAOYSA-N 353.422 4.020 0 40 FIAB CCn1nnc2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)ccc21 23112098 VQXJMOBWUXCROF-QGZVFWFLSA-N 354.841 4.082 0 40 FIAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2ccccc21 24973241 WVARMQAELLRQFZ-UHFFFAOYSA-N 369.896 4.077 0 40 FIAB O=C(COc1ccccc1)Nc1ccccc1N1CCc2ccccc2C1 25798337 IRGOUAFGUSTBBJ-UHFFFAOYSA-N 358.441 4.267 0 40 FIAB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N(C)C 28289291 RSDLSTZTZHZNLZ-FQEVSTJZSA-N 368.521 4.416 0 40 FIAB Cc1cnc2c(S(=O)(=O)Oc3cccc(C(F)(F)F)c3)cccc2c1 29230430 IGQAMTNGIXUOQJ-UHFFFAOYSA-N 367.348 4.330 0 40 FIAB Nc1nc2c(s1)[C@H](c1ccccc1OCc1ccccc1)CC(O)=N2 32074031 VVIYPYDGPNQEIO-AWEZNQCLSA-N 351.431 4.428 0 40 FIAB COc1cccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)c1 35290281 RZYXZCOKCYKCLQ-UHFFFAOYSA-N 367.474 4.160 0 40 FIAB COc1cc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(Cl)cc2)ccc1O 36364947 QZYMLCJRKSESMP-AWEZNQCLSA-N 369.808 4.364 0 40 FIAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1C 36635877 PQSZCCVINNFDQO-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB Cc1ccc(Cc2nnc(NC(=O)c3nc4ccccc4s3)o2)cc1C 36658596 HACROGJROSKKRJ-UHFFFAOYSA-N 364.430 4.139 0 40 FIAB O=C(Nc1ccccc1NC(=O)c1ccccn1)Nc1c(F)cccc1F 38678825 RGQVQHBWPCHORX-UHFFFAOYSA-N 368.343 4.256 0 40 FIAB COc1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1OC(F)F 43994835 PONCWVYALAEDSA-UHFFFAOYSA-N 362.376 4.150 0 40 FIAB CCOc1ccc(NC(=O)c2ccn(-c3ccccc3Cl)n2)c(C)c1 50334789 WQAGJXZHJJTHCU-UHFFFAOYSA-N 355.825 4.485 0 40 FIAB CCn1cc(-c2nc(-c3ccc(SC)cc3)no2)c(=O)c2ccccc21 57354818 KDCLZVWHYKIINX-UHFFFAOYSA-N 363.442 4.460 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccccc1Cl)c1nc(-c2cccnc2)no1 58244953 VTTURXFPOOQIQY-HNNXBMFYSA-N 371.828 4.304 0 40 FIAB Cc1noc(-c2ccc(NC(=O)c3ccccc3Br)cc2)n1 62578838 UXSBMAQHIDSRAY-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB Cc1cc(Oc2ccccc2)nc([C@@H]2CCCN2C(=O)c2cscn2)n1 72384070 ITTDNERETZBWEW-INIZCTEOSA-N 366.446 4.011 0 40 FIAB COCCN(C(=O)Nc1nnc(C2CCCCC2)s1)C1CCCC1 75103679 XMKPQGDGDDNUBL-UHFFFAOYSA-N 352.504 4.009 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)s1 84205614 GVOHJODKYPHZOT-AWEZNQCLSA-N 355.912 4.106 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1 89636893 VWCBMPKTCCIFDU-ZDUSSCGKSA-N 351.397 4.191 0 40 FIAB COCCOc1ccc(CNc2ccc3ccc(Cl)c(C)c3n2)cn1 95462945 KINZMPHLZBBNRQ-UHFFFAOYSA-N 357.841 4.229 0 40 FIAB Fc1cc(Br)cc2c1CCCN2Cc1nccn1C(F)F 95464651 FRHKFGLLMGUGCJ-UHFFFAOYSA-N 360.177 4.133 0 40 FIAB O=C(O)c1ccc(-n2ncc3c2N=C(O)CS[C@H]3c2cccs2)cc1 95480404 QITNAUGMCYRLGY-OAHLLOKOSA-N 371.443 4.056 0 40 FIAB CCOc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)c1ccco1 95946333 ROCDKVOQLULLNJ-MRXNPFEDSA-N 350.374 4.263 0 40 FIAB O=C1CC[C@]2(CCCN(Cc3cccs3)CC2)N1Cc1cccc(F)c1 96047547 IKXHGNLOBMRFTM-NRFANRHFSA-N 372.509 4.435 0 40 FIAB Cc1cc(N2CCCCC2)nc(CNC(=O)Nc2ccc(C)c(Cl)c2)n1 96120822 YOHYIRRZKTYHGI-UHFFFAOYSA-N 373.888 4.059 0 40 FIAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)n1cccc/c1=N\C1CCCCC1 103001933 SOYWWAYFQUVUEF-VKRPLICGSA-N 368.521 4.083 0 40 FIAB CC(C)(C)c1nnc(NC(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)s1 147813702 SAFHQVNIRRKCIO-GJZGRUSLSA-N 374.510 4.125 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1 224452697 GTUPPCDRLAAVRH-NRFANRHFSA-N 355.478 4.218 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225838843 QWZIKCBEVULFDH-FQEVSTJZSA-N 365.470 4.184 0 40 FIAB COCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C 225862391 ZKWHULUAJVSERU-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB CCCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226277242 CSLJWXIDYICQNJ-LBPRGKRZSA-N 372.387 4.133 0 40 FIAB Cc1cc(-c2c(C)noc2C)nc([C@@H]2CCCCN2C(=O)NC(C)(C)C)n1 257325948 WVCSKXOHGONGHY-INIZCTEOSA-N 371.485 4.092 0 40 FIAB Cn1ccc2c1CN(C(=O)c1ccsc1)Cc1cn(-c3ccccc3)nc1-2 306133107 MCDAYKQRDNGPBY-UHFFFAOYSA-N 374.469 4.095 0 40 FIAB COc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)c3ccccc3)[C@H]2C1=O 409369823 ZFERVSFTGPIWMY-PEYKTXOXSA-N 371.436 4.090 0 40 FIAB O=S(=O)(c1cccc(-c2ccccc2)c1)N1CCC[C@@H]1c1ccncc1 508918554 SQNPJZLXXKJMBS-OAQYLSRUSA-N 364.470 4.274 0 40 FIAB CC(C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC[C@H]21 585107998 SSSRNBUZKPXCEU-GSEOLPGOSA-N 360.929 4.022 0 40 FIAB COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(Cl)o4)CC3)c2c1 619097148 WBUAARAQEBVTDK-UHFFFAOYSA-N 358.825 4.443 0 40 FIAB c1cc(-c2nnc(-c3cccc([C@H]4CCOC4)c3)o2)cc([C@H]2CCOC2)c1 1614621757 KWRRDLKSFUOPKY-PMACEKPBSA-N 362.429 4.411 0 40 FIAB COC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCCCC2 688861 CUKILTXPVBQCAX-UHFFFAOYSA-N 373.474 4.455 0 40 FIAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 840464 JSZAEMKGHBNFJW-LBPRGKRZSA-N 368.260 4.128 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccco2)c1 1377720 WUXXEHVTGARFEV-RTBURBONSA-N 369.534 4.460 0 40 FIAB CCSc1nc(NCCOC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2424100 ZEQHJLFVNCHEOX-KRWDZBQOSA-N 367.540 4.103 0 40 FIAB COc1ccc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 2723689 NSJJLWQATVSTOK-UHFFFAOYSA-N 373.865 4.265 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)c2c(Br)c(C)nn2C)CC1 2781365 YIAOFIVWOIZISI-UHFFFAOYSA-N 370.335 4.216 0 40 FIAB Cc1ccc(NC(=O)c2ccn(COc3ccc(Cl)cc3)n2)c(C)c1 2787493 AXZPOHXZKKBTKW-UHFFFAOYSA-N 355.825 4.442 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)CNc3ccccc3C)s2)cc1 2887787 MMEZHCNNUFXPHQ-UHFFFAOYSA-N 351.475 4.401 0 40 FIAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccccc1 3256659 NVNUSCJXNKOLAV-UHFFFAOYSA-N 363.442 4.283 0 40 FIAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc2c(s1)CCCCC2 3551999 AMJINGDVRIKDJD-UHFFFAOYSA-N 354.431 4.424 0 40 FIAB COC(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 4136374 NONPSFLMBHZXQV-UHFFFAOYSA-N 371.396 4.269 0 40 FIAB Cc1ccc(C)c(NC(=S)NC(=O)COc2ccc3ccccc3c2)c1 4676599 HXWRSEHMUIBBIT-UHFFFAOYSA-N 364.470 4.349 0 40 FIAB CCCc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)sc1C 4929379 MZRXHAWQTRGHNM-UHFFFAOYSA-N 353.390 4.083 0 40 FIAB COc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCCC2)c1 5001809 XNYOOYTYHGLJKS-UHFFFAOYSA-N 365.433 4.096 0 40 FIAB O=C(COc1ccccc1)OCc1ccc(C(=O)Nc2ccccc2)cc1 5457813 FSDMIYPVTPLGHV-UHFFFAOYSA-N 361.397 4.061 0 40 FIAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=S)N1 5835588 ZRQYREATUCXCJK-MRXNPFEDSA-N 360.523 4.119 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1Cl 6152721 LDWBIGCCOBBKDJ-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1Cl 6178792 YSDVJXHOQJNGKP-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccccc3Cl)c2)c1 6297807 RENWAZITDPAGRB-UHFFFAOYSA-N 368.824 4.431 0 40 FIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc(Br)c1 6316502 WFOFYBXICSCWSI-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB O=C(Cc1ccccc1F)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6506878 OLSSPKWLYLFMAV-NRFANRHFSA-N 373.431 4.345 0 40 FIAB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccccc1 6654295 QZJPYHFRHBCCPJ-UHFFFAOYSA-N 352.434 4.193 0 40 FIAB O=C1C/C(=C\C2=Cc3ccccc3OC2)C(=O)N1c1ccc(F)c(Cl)c1 6719833 PTRDSTGVWDTHSF-RIYZIHGNSA-N 369.779 4.145 0 40 FIAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 6779990 QLJNCJYDUUTLDT-HXUWFJFHSA-N 360.388 4.162 0 40 FIAB CCCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3F)cc2)C1=O 6879264 PKXZEVATUHVFQS-GOSISDBHSA-N 373.449 4.421 0 40 FIAB O=C(OCC(Cl)(Cl)Cl)c1cn2cc(Cl)cc(Cl)c2n1 7037097 SVNOLEMQZKBKQL-UHFFFAOYSA-N 362.427 4.168 0 40 FIAB COc1ccc(CN(C)CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 7652983 RGFQYRFLUHEJGY-MRXNPFEDSA-N 370.518 4.045 0 40 FIAB O=S(=O)(c1ccccc1F)N(Cc1cccs1)Cc1cccs1 7688982 FMMMUATZGSFAPG-UHFFFAOYSA-N 367.492 4.340 0 40 FIAB COC(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Cl 8092172 VORGZOAUJAUKLS-RUDMXATFSA-N 350.201 4.432 0 40 FIAB C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(Cc2ccccc2)CC1 8307146 JBOZAHSGUJRGFR-HNNXBMFYSA-N 357.885 4.017 0 40 FIAB O=C(Nc1ccccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2 8734244 UEQMJBLKFGTHQW-UHFFFAOYSA-N 355.800 4.406 0 40 FIAB O=C(c1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8745032 BMYQTWPWVGMDNV-LJQANCHMSA-N 362.429 4.307 0 40 FIAB C[C@@H](NC(=S)NC(=O)c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 9140224 YKPMUARCDBRIKZ-JSFDKUKPSA-N 360.498 4.035 0 40 FIAB C[C@@H](Sc1nncs1)c1nc(-c2cccc(C(F)(F)F)c2)no1 10774283 UAGCDXMQPBKJPP-SSDOTTSWSA-N 358.370 4.460 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2sccc2C1 12215506 KIMKCNLSPQMHEE-SNVBAGLBSA-N 356.274 4.407 0 40 FIAB CCN(CC)CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 12233913 JKGWXNJHYQWUSS-UHFFFAOYSA-N 373.859 4.402 0 40 FIAB COc1ccccc1NC(=O)c1cnc2c(C(F)(F)F)cccc2c1O 12421845 REMWWGPPRSJHJE-UHFFFAOYSA-N 362.307 4.220 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(C)c(F)c3)c(=O)oc2c1 12782263 FVWACHFDEVAKFV-UHFFFAOYSA-N 353.393 4.429 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 12894937 JJKSZFINQFWZDY-UHFFFAOYSA-N 370.499 4.178 0 40 FIAB CCC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1 12904719 GGNHUKBVHRYDHC-AWEZNQCLSA-N 356.491 4.248 0 40 FIAB O=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccsc1 12953103 FKVRLUBFIUNRAS-UHFFFAOYSA-N 368.281 4.069 0 40 FIAB CC1CCN(Cn2nc(COc3ccc(Cl)cc3)oc2=S)CC1 13071537 ZMGQLMVXXCSGDH-UHFFFAOYSA-N 353.875 4.127 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(Cc3ccc(Cl)s3)o2)c(C)c1 13653880 NHERCMGDCZVTRD-UHFFFAOYSA-N 361.854 4.173 0 40 FIAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 14180680 HWHMWLJTSDSVOM-ZDUSSCGKSA-N 358.463 4.156 0 40 FIAB Cc1ccc(C(=O)CCC(=O)NCCCn2ccc3ccccc32)cc1C 14938553 ZAMVKUJMBQLWOU-UHFFFAOYSA-N 362.473 4.428 0 40 FIAB CSc1ccc(Cl)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 16302054 HRAHOSTYQNJSTO-UHFFFAOYSA-N 371.893 4.237 0 40 FIAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cccc(OC)c2)s1 17056420 QDLNIESOYLFPRE-INIZCTEOSA-N 353.447 4.341 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)N(Cc1ccco1)Cc1cccs1 18230037 ODFLWNMVTJCNTR-UHFFFAOYSA-N 367.470 4.438 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(=O)oc2ccccc12 20731945 LHRCXCLXNFEHQM-UHFFFAOYSA-N 364.184 4.117 0 40 FIAB c1ccc(-n2cc(CNCCc3ccccn3)c(-c3cccs3)n2)cc1 23909314 WCKUQLFGZSMVPI-UHFFFAOYSA-N 360.486 4.328 0 40 FIAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NCCc1ccc(F)cc1 25952577 YUZKTDAJWCBRPK-UHFFFAOYSA-N 362.470 4.153 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)c2c(c1)OCCO2 25982536 OCZVGKAPJBTJTR-UHFFFAOYSA-N 371.742 4.060 0 40 FIAB Cc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)Nc3ncnn32)cc1 26894606 DQRPXIQJPSCWTE-DLBZAZTESA-N 369.266 4.495 0 40 FIAB CC(C)=C[C@@H]1[C@H](C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)C1(C)C 27131866 LAMACCXDIMSJRB-ATZDWAIDSA-N 352.482 4.025 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C)c2)CC1 29374974 UXPLTQJUZZYLRS-UHFFFAOYSA-N 357.885 4.043 0 40 FIAB CC[C@H]1c2ccsc2CCN1Cc1nc2c(oc3ccccc32)c(=O)[nH]1 30223724 AWNZNMITICOVKU-AWEZNQCLSA-N 365.458 4.240 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1ccc(OCC)c2ccccc12 32603674 PUNGADJYTMLWMR-UHFFFAOYSA-N 371.458 4.438 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@H]3c3ccccc3)CC2=O)c1C 32883771 SYTWENXRDGMSDB-FPOVZHCZSA-N 362.473 4.020 0 40 FIAB C[C@H]1Oc2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2NC1=O 40141588 CKCASVHOVRQGSU-GFCCVEGCSA-N 358.825 4.021 0 40 FIAB Cc1ccc(CN(C)[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)o1 57315270 QQXPWKDOJPVIDM-DGCLKSJQSA-N 371.506 4.204 0 40 FIAB Cc1csc(SC[C@@H](O)COc2ccc(Cl)cc2Cl)n1 58012737 IKQRCSIXAQLPRU-JTQLQIEISA-N 350.292 4.290 0 40 FIAB COc1cccnc1NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 58433161 UNVGLLVVLLZGPL-IBGZPJMESA-N 372.428 4.036 0 40 FIAB Cc1csc(CCCCNC(=O)NCCc2c(C)[nH]c3ccccc23)n1 66121917 VAVDAZPLKMKGKP-UHFFFAOYSA-N 370.522 4.106 0 40 FIAB CN(C)[C@H](CNC(=O)CCc1ccc(Cl)s1)c1ccc(Cl)cc1 72309360 UTYGFBHIRGWICE-OAHLLOKOSA-N 371.333 4.407 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 72333799 AYLQBPVHKLTPAE-MRXNPFEDSA-N 353.462 4.327 0 40 FIAB Cn1ccnc1CN1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72350001 VUWPPAFDLYPENZ-QGZVFWFLSA-N 350.441 4.001 0 40 FIAB CCn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358233 GBCAPECQKHFILX-NRFANRHFSA-N 364.468 4.365 0 40 FIAB COc1cccc(-c2noc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)c1 72369868 KGKMTLGAWLCIRV-INIZCTEOSA-N 369.852 4.388 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 72405037 ICWMCNOEYYKCHE-YWZLYKJASA-N 374.481 4.025 0 40 FIAB Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(Br)cc1F 75436988 VPMAUELPAGNRIE-UHFFFAOYSA-N 352.207 4.062 0 40 FIAB COc1cccc(C(=O)Nc2nc(-c3ccc(SC)cc3)ns2)c1 80343777 BDIKGAPBXJLVBA-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB Fc1ccccc1N1CCN(CCOc2ccc3ccccc3c2)CC1 84605980 VWLXSJLONFGFGC-UHFFFAOYSA-N 350.437 4.180 0 40 FIAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccc(F)cc2)o1 89793819 WQXDNGLTVOOYLC-UHFFFAOYSA-N 365.360 4.432 0 40 FIAB COc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 96057054 IUKBSJKDVDQOSG-XZOQPEGZSA-N 373.537 4.273 0 40 FIAB Cc1ccc(NC(=O)N2CC[C@@]3(C[C@@H]3C(=O)Nc3cccc(F)c3)C2)cc1 96227271 USNXXBXAOIHUKA-WIYYLYMNSA-N 367.424 4.017 0 40 FIAB Cc1ccc(N2C(=O)/C(=C/Nc3cc(C)on3)c3ccccc3C2=O)c(C)c1 102625493 CBEJLLRBYZTXAM-LDADJPATSA-N 373.412 4.240 0 40 FIAB O=C(Cc1noc2ccccc12)N1CCS[C@@H](c2cccs2)CC1 219466346 SLYSYPURHHNMAV-QGZVFWFLSA-N 358.488 4.139 0 40 FIAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 219959105 IAMPDMDOAHOVEX-UHFFFAOYSA-N 371.824 4.061 0 40 FIAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)cc2)S1 222560131 OETLXCHTJOVXMO-UVBJJODRSA-N 374.307 4.433 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(C)cc1 222820243 AOUXYHOQAGUTNH-IBGZPJMESA-N 373.518 4.312 0 40 FIAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cn2ccnc2)cc1 225174547 OCRNVVUPEPWXKF-UHFFFAOYSA-N 368.440 4.170 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NCCSc2ccc(C)cc2)c1 225286296 OBQTXODPPVNFIC-UHFFFAOYSA-N 374.531 4.169 0 40 FIAB COc1ccc(CCC(=O)NCCSCc2cccc(Cl)c2)cc1 225313745 HXVHRNPFKXAEBH-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB Cc1ccc(-c2cc3ccccc3oc2=O)c(N(C)C(=O)C(F)(F)F)c1 226358206 VYORITUADQEWRL-UHFFFAOYSA-N 361.319 4.294 0 40 FIAB O=C(C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1ccc(F)cc1 542606441 LXYBQUGWKYQPSH-OAQYLSRUSA-N 359.400 4.183 0 40 FIAB O=C(NCC1(c2ccsc2)CCOCC1)Nc1ccccc1Cl 952990094 ULLOQLVKFLCUGN-UHFFFAOYSA-N 350.871 4.271 0 40 FIAB COc1ccc2oc(=O)c(-c3nnc(Nc4ccc(C)cc4)s3)cc2c1 856286 YACHTYIUFBLVSX-UHFFFAOYSA-N 365.414 4.372 0 40 FIAB CCCC(=O)Nc1sc(C(=O)Nc2ccccc2C)c(C)c1C(=O)OC 871504 QTYWTZWIUMEQEE-UHFFFAOYSA-N 374.462 4.142 0 40 FIAB Cc1cc2nnc(SCC(=O)c3ccc(F)cc3)n2c2ccccc12 912374 DYHZZKKDUCTWNY-UHFFFAOYSA-N 351.406 4.305 0 40 FIAB C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C 950003 OAZITJUUAWYFTF-BTYAOQFQSA-N 360.494 4.066 0 40 FIAB COc1ccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)cc1 1018227 KODGBRMTHSABPV-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB COc1ccc(CCNC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 2645312 BDKLUHQAGXSFJV-OAHLLOKOSA-N 362.473 4.274 0 40 FIAB O=C(/C=C/c1cccs1)OCCOc1ccc(Br)cc1 2648631 XHYWURSFKCTTFR-BQYQJAHWSA-N 353.237 4.146 0 40 FIAB O=C(NC(=S)Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1 3199199 AXDPTHVYKJWFKV-UHFFFAOYSA-N 365.483 4.036 0 40 FIAB Cc1ccccc1NC(=S)N1[C@H]2CCC[C@@H]1CC(NC(=O)C(C)(C)C)C2 4857430 JXHJCSZNYGDEIX-ALOPSCKCSA-N 373.566 4.240 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 5607663 IAKHYWPLPRAHGM-UHFFFAOYSA-N 352.415 4.274 0 40 FIAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1 5769415 IYRVOVIZWQMVCK-UHFFFAOYSA-N 351.475 4.114 0 40 FIAB CCN(Cc1ccccc1)Cc1c(C)nc2c(OC)cc(OC)cc2c1O 6353485 COXMTCPIAWJHBS-UHFFFAOYSA-N 366.461 4.288 0 40 FIAB COc1cc(NC(=O)CNc2ccc(Cl)c(Cl)c2)cc(OC)c1 6626578 MPXAEWONLKDJJL-UHFFFAOYSA-N 355.221 4.061 0 40 FIAB COc1ccc(NC(=O)Nc2cccc(Br)c2)c(OC)c1 6736161 BMPSWXZKAKTNRF-UHFFFAOYSA-N 351.200 4.110 0 40 FIAB COC(=O)c1cn([C@H](C)C(=O)Nc2ccc(C)cc2C)c2ccccc12 6964549 BBRKUHXEKWHASG-OAHLLOKOSA-N 350.418 4.244 0 40 FIAB CCCn1c(=O)n(CC(=O)Nc2c(C)cc(C)cc2Cl)c2ccccc21 7252868 SNQQTNMVLIFXFY-UHFFFAOYSA-N 371.868 4.122 0 40 FIAB CC(C)(C)OC(=O)CSc1nnc(Nc2cccc(Cl)c2)s1 7578495 YWTJXXRORSNHRD-UHFFFAOYSA-N 357.888 4.369 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1csc(-c2cccs2)n1 8131469 FTIVEOYCQOZWJN-UHFFFAOYSA-N 369.471 4.251 0 40 FIAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCCCCC2)c1 8325859 DFVIYDAHHDUKEH-UHFFFAOYSA-N 365.477 4.062 0 40 FIAB CCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)c1ccccc1 8709241 AAUBKNDNWGZWRR-UHFFFAOYSA-N 365.502 4.454 0 40 FIAB CC(=O)NC(=S)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C 9064184 KONKSFABNQTNRU-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB Cc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)n2)c1 9318026 LVPHLJOFDQXTPL-AWEZNQCLSA-N 353.809 4.219 0 40 FIAB Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1C 11835303 XYZMHYJYHBVXKY-UHFFFAOYSA-N 369.446 4.177 0 40 FIAB CC(=O)c1cccc(NC(=O)CSc2cc(-c3ccccc3)ncn2)c1 11903073 FSECFNIJOVYHSJ-UHFFFAOYSA-N 363.442 4.077 0 40 FIAB O=C(Nc1nc(-c2cccs2)ns1)c1ccccc1Br 11914818 PKTALOFIGOQZAW-UHFFFAOYSA-N 366.265 4.281 0 40 FIAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(C(=O)C2CC2)CC1 12911044 RIBKVNPXXXTSLB-UHFFFAOYSA-N 364.445 4.066 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 12978485 DBTQOTVQVOGOJU-HNNXBMFYSA-N 367.923 4.472 0 40 FIAB Cc1cc(=O)oc2cc(OCc3nc(-c4ccc(Cl)cc4)no3)ccc12 12993594 KCRCFGRZZIJWJP-UHFFFAOYSA-N 368.776 4.384 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccccc2Cl)c1 13709797 IZCYDVYOFUKWFM-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB COC[C@H](C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 14250248 LBRWEJIVIMKDFY-ZDUSSCGKSA-N 372.415 4.197 0 40 FIAB COC(=O)CSc1ncnc2cc(-c3ccc(Cl)cc3)sc12 15166193 HIZGAYLPORCFOL-UHFFFAOYSA-N 350.852 4.277 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)c1 15883242 OKAOFYFLZUCNNG-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB Cc1cc(C)cc(OCCN(C)Cc2nnc(-c3cccc(C)c3)o2)c1 16421691 ZBXCOISSQCABQF-UHFFFAOYSA-N 351.450 4.173 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)CC)CCC3)cc1 17247822 QVMVZHSEIMEQEB-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB C[C@@H]1CN(C(=O)c2ccccc2OCc2ccccc2Cl)C[C@@H](C)O1 17325748 KLQRPACVHLIESS-HUUCEWRRSA-N 359.853 4.168 0 40 FIAB C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)C1CCCCC1 19575443 SKUGABROBWSPAC-GFCCVEGCSA-N 353.388 4.140 0 40 FIAB Brc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1 19897311 JRYUCNPGCNHEID-UHFFFAOYSA-N 357.236 4.282 0 40 FIAB Cc1onc(-c2ccccc2)c1-c1nnc(COC(=O)C2CCCCC2)o1 21164966 RWKHBAJWIIUXGK-UHFFFAOYSA-N 367.405 4.324 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2cccc(OC(C)C)c2)c1 22509517 HSTPUTPPMNTTKO-GOSISDBHSA-N 355.478 4.483 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)NCCCC2CCCC2)cc1 23056950 SUIXYVGEYDIBMF-UHFFFAOYSA-N 370.493 4.500 0 40 FIAB C[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCCO1 27858821 YNELBYKBRYSYCS-FZMZJTMJSA-N 353.340 4.263 0 40 FIAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1 28087468 QBGDLYHJHBVFNT-DHZHZOJOSA-N 374.406 4.063 0 40 FIAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc2c(c1)OCO2 28220941 SIIQAPQZUQZHAB-UHFFFAOYSA-N 371.396 4.066 0 40 FIAB O=S(=O)(Nc1cc(-c2ccccc2)no1)c1cc(Cl)ccc1Cl 28248927 NQWJHTCXYKABHS-UHFFFAOYSA-N 369.229 4.449 0 40 FIAB O=C(CCC(=O)N1CCC[C@@H]1Cc1ccccc1)c1ccc2c(c1)CCC2 30764351 SZFWUOYKBPHSOX-JOCHJYFZSA-N 361.485 4.372 0 40 FIAB O=C(CSCc1csc(-c2ccco2)n1)Nc1ccc2c(c1)OCO2 31420348 OPGLPHLZEWATBK-UHFFFAOYSA-N 374.443 4.004 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 32764375 GYAXUYCPKVQPHJ-HNNXBMFYSA-N 354.450 4.068 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 32817143 WYQSLMCYFVVEEW-UHFFFAOYSA-N 357.475 4.272 0 40 FIAB COc1cc(Br)c2oc(-c3ccc(OC)c(F)c3)nc2c1 34553898 PZQOAJQYQBQTMZ-UHFFFAOYSA-N 352.159 4.414 0 40 FIAB CCc1cc(C(=O)NCC2CC2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621734 URSQYJNJMAIONT-UHFFFAOYSA-N 374.488 4.059 0 40 FIAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 38848681 LORKMIRRKJLWCW-UHFFFAOYSA-N 374.271 4.477 0 40 FIAB OCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 39178251 PGCGACBWMXEHHA-UHFFFAOYSA-N 354.453 4.258 0 40 FIAB O=C(C1=Cc2ccccc2OC1)N1CCC(c2nc3ccccc3o2)CC1 39983198 FWAYDNZMDSGVLK-UHFFFAOYSA-N 360.413 4.010 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)s1 39989140 BACREXVJRCSOBW-SNVBAGLBSA-N 371.915 4.408 0 40 FIAB Cc1nn(-c2ccccc2F)c(C)c1CC(=O)Nc1ccc2ccccc2n1 40130906 DAYBGLYXTRDUHH-UHFFFAOYSA-N 374.419 4.358 0 40 FIAB CCCC(=O)Nc1cccc(NC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 47716391 UTSRYVOWIUAMGM-CRAIPNDOSA-N 361.486 4.142 0 40 FIAB O=C(OCc1cc(-c2ccccc2)no1)c1cnn(-c2ccccc2F)c1 60491492 ARZUIROAPINMJU-UHFFFAOYSA-N 363.348 4.023 0 40 FIAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](C)CCCC(C)C 62001512 ZBKJRBUJDDRSDF-INIZCTEOSA-N 373.493 4.374 0 40 FIAB biogenic Cc1nccn1Cc1ccccc1CNC(=O)CCc1ccccc1Cl 67338633 XOTPVKAAYLLSON-UHFFFAOYSA-N 367.880 4.142 0 40 FIAB CCN1C[C@H](CN(C)Cc2cc(-c3ccccc3)no2)Oc2ccccc21 69923220 UDCQZUUYBPHXKM-IBGZPJMESA-N 363.461 4.061 0 40 FIAB CC1CCN(C[C@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)CC1 71847909 HBIVBXZRGKDDIS-DENIHFKCSA-N 354.538 4.077 0 40 FIAB COc1ccccc1-c1noc([C@@H](C)NC(=O)C[C@@H](C)c2ccccc2)n1 72303539 GISUYFRALLGHDH-HUUCEWRRSA-N 365.433 4.116 0 40 FIAB CC(C)CC(=O)N1CC[C@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 72352184 SZSYDBNGKUYRNP-HNNXBMFYSA-N 372.534 4.402 0 40 FIAB CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OCC(=O)OC)cc12 75384733 OHYOHTQBJGVGIS-UHFFFAOYSA-N 373.449 4.183 0 40 FIAB C[S@@](=O)Cc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1 78399624 WACSGSSMNPMMQD-QHCPKHFHSA-N 362.501 4.002 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cnc(-c3cccs3)[nH]2)c1 79059119 BVYWTLDJUJMXLU-KRWDZBQOSA-N 369.490 4.493 0 40 FIAB CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)C(=O)c1cnccn1 84597276 SFCCPHFALWBEGF-UHFFFAOYSA-N 355.438 4.395 0 40 FIAB CN(C(=O)N[C@H]1CCOc2ccccc21)[C@@H](c1ccccc1)c1ccccn1 89310285 MIEMVJPJGFROCY-UGKGYDQZSA-N 373.456 4.336 0 40 FIAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)Cn1cnc2c1CCCC2 95465145 XPNXTCNRRLOUMF-GFCCVEGCSA-N 366.292 4.288 0 40 FIAB CCC(CC)C(=O)N1CCC(Oc2cccc(Br)c2)CC1 95940104 UBFDYZSVJKBHKS-UHFFFAOYSA-N 354.288 4.255 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 96223661 MAYSAKALJYYGKP-KRWDZBQOSA-N 357.841 4.162 0 40 FIAB Cc1ncc(CNC(=O)N2CCC(c3c(C)[nH]c4ccccc34)CC2)s1 98119466 VTFYDHJSWRXVRH-UHFFFAOYSA-N 368.506 4.330 0 40 FIAB CCSc1nc2n(n1)[C@@H](c1cccnc1)C1=C(O)CC(C)(C)CC1=N2 102662255 IPIKHRLIDPKXFZ-HNNXBMFYSA-N 355.467 4.093 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 103718978 YGAWLKOMNPSPIM-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)[C@H]1CCCOC1 104431394 SFPZPQVPEYPZCG-LBPRGKRZSA-N 366.339 4.258 0 40 FIAB CCc1nc(S/C(=C/c2cc(Cl)ccc2OC(C)C)C(=O)O)n[nH]1 213408694 LODKCECKEJFVTI-MDWZMJQESA-N 367.858 4.026 0 40 FIAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)c1 219543152 CSKLUFJDUCFWAG-INIZCTEOSA-N 361.482 4.259 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)n1cc(C(=O)OC)c2ccccc21 222627179 CAXLRYFWDJLVNF-LJQANCHMSA-N 351.402 4.234 0 40 FIAB CCc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 223828105 VSJGQLLOXFJSMW-UHFFFAOYSA-N 364.489 4.446 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 223938342 CXGTZOPIEAZXKY-LBPRGKRZSA-N 371.308 4.179 0 40 FIAB CCC1(CC)C[C@H](NC(=O)COc2ccc(F)cc2)c2ccccc2O1 225091691 KOGAXIOYTIUOGS-SFHVURJKSA-N 357.425 4.403 0 40 FIAB S=C(NCCCSCc1ccccc1)Nc1ccc2c(c1)OCCO2 225597759 HSBKVTMEQVSFQD-UHFFFAOYSA-N 374.531 4.068 0 40 FIAB CCc1ccc(CC(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1 225692981 PJOPNNAFJSGTGD-UHFFFAOYSA-N 369.852 4.154 0 40 FIAB O=C(c1ccncc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257244655 IMGJLAROHWLGGO-IBGZPJMESA-N 365.408 4.167 0 40 FIAB COc1ccc(-c2ccc(OC(=O)c3cc(Cl)ccc3OC)nn2)cc1 408527577 GHLMLTAJSKMZNP-UHFFFAOYSA-N 370.792 4.033 0 40 FIAB O=C(O)[C@H]1CS[C@@H](c2cn(Cc3ccc(Cl)cc3)c3ccccc23)N1 408817425 WFIUUGHHKOHUKA-AEFFLSMTSA-N 372.877 4.131 0 40 FIAB COC(=O)CCCCC(=O)c1ccc(Br)c(C(F)(F)F)c1 575362663 UISVSEMTPYFQDS-UHFFFAOYSA-N 367.161 4.384 0 40 FIAB CN(C)[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1csc2ccccc12 575619453 FOSBRTWNOYYDPY-IBGZPJMESA-N 363.486 4.415 0 40 FIAB c1cc(COCC[C@@H]2CCOC23CCN(Cc2ccsc2)CC3)ccn1 585105458 WYSDXJUCKKAAFY-HXUWFJFHSA-N 372.534 4.121 0 40 FIAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 594636007 HLIMLAKIFKAHEN-VBKZILBWSA-N 364.493 4.376 0 40 FIAB CCSCc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)c(F)c2)no1 598197601 NYKQUHWUXSSBHD-MRXNPFEDSA-N 364.442 4.053 0 40 FIAB CC(C)C1CCN(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 608655973 NYOSOEQTUIFHAN-MRXNPFEDSA-N 363.933 4.244 0 40 FIAB COc1cccc([C@]2(C)CCN(C(=O)C[C@@]34CCCC[C@@H]3C4(F)F)C2)c1 618737220 GDSWCFNRZPCNCP-SXLOBPIMSA-N 363.448 4.401 0 40 FIAB Cc1ccn(-c2ccccc2NC(=O)N2CC3(CC=CC3)[C@@H]2C(C)C)n1 646306698 MOMOGABPWYLBIC-IBGZPJMESA-N 350.466 4.389 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(SC(F)(F)F)cc2)s1 1260683759 AUPVKJWINYSTIS-UHFFFAOYSA-N 353.412 4.469 0 40 FIAB CCOC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc(C)c1C 1013794 HWSAEUWCMAISIL-UHFFFAOYSA-N 351.855 4.376 0 40 FIAB CC(=O)Oc1cc2c(C(=O)NCc3ccccn3)c(C)oc2c2ccccc12 1236053 CEMVHGZIWHFVGV-UHFFFAOYSA-N 374.396 4.145 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2I)c(C)c1 1263772 QEAFZPULECSRRY-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB CCCc1nc(SCC(=O)N(CC)CC)c2c(C)c(C)sc2n1 1372193 YHYVZKHYNZWCBW-UHFFFAOYSA-N 351.541 4.221 0 40 FIAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)c1cccc(F)c1 1377868 SXKFSURZHWVYKU-QZTJIDSGSA-N 358.482 4.203 0 40 FIAB COc1ccc(-c2cnnc3c(-c4cccc(C(F)(F)F)c4)cnn23)cc1 1582786 SBJCTTSCLDWRDY-UHFFFAOYSA-N 370.334 4.486 0 40 FIAB CSc1nc(NCc2cccnc2)c2c3c(sc2n1)COC(C)(C)C3 2402951 LRVULVMXJLHICD-UHFFFAOYSA-N 372.519 4.272 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)c1ccccc1-c1ccccc1 2640573 HZAVNCRGYYLFFD-UHFFFAOYSA-N 358.441 4.443 0 40 FIAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O 3195427 SELWSCSVVMGVNT-UHFFFAOYSA-N 351.402 4.143 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(F)cc1F 3262090 NSMVIBDVVBMJEO-UHFFFAOYSA-N 354.765 4.490 0 40 FIAB CCc1nnc(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)s1 3306276 PGFZAYUGHGJFEE-JLHYYAGUSA-N 359.451 4.480 0 40 FIAB COc1cccc(N(C(=O)c2cccc(Cl)c2C)C2=NCCS2)c1 3321802 ARKNVYKVVLOSAY-UHFFFAOYSA-N 360.866 4.407 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2[nH]1 3343210 NUNIVYLFLNXYNE-NSHDSACASA-N 357.866 4.286 0 40 FIAB Cc1cnc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cn1 3542623 DPYPTDPLFNQVIR-OAQYLSRUSA-N 371.396 4.047 0 40 FIAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(F)cc1F 4167240 RCEOZCJQSRKHFA-UHFFFAOYSA-N 363.414 4.214 0 40 FIAB O=C(c1cccc2ccccc12)N1CCN(c2nc3ccccc3s2)CC1 4224031 MNUZFDIDICBLNP-UHFFFAOYSA-N 373.481 4.412 0 40 FIAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cc2cc(C)ccc2nc1Cl 4275559 VXCGDFGHBLGLHQ-QGZVFWFLSA-N 353.809 4.487 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)C1CCCC1 5136257 FIHYVVRDLWNHNP-UHFFFAOYSA-N 354.475 4.470 0 40 FIAB C[C@@H](OC(=O)CSc1ccccc1F)C(=O)c1c[nH]c2ccccc12 5418675 SMFDPTFMMCGZMS-GFCCVEGCSA-N 357.406 4.214 0 40 FIAB Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCCC1=O 5440678 HSLUPUDBLVNHRB-UHFFFAOYSA-N 362.351 4.393 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 5834257 FYGLNFKVYCLRJP-OXJNMPFZSA-N 367.445 4.331 0 40 FIAB COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 5907372 VEWUKSNJRMVUSZ-UHFFFAOYSA-N 362.385 4.187 0 40 FIAB biogenic COc1cc(C)c(NC(=O)/C=C/c2ccc(Br)o2)cc1OC 6259127 JNEXYYOZNBYDQZ-FNORWQNLSA-N 366.211 4.020 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6566132 XUAYWOYOIPHPFU-UWJYYQICSA-N 365.473 4.134 0 40 FIAB C[C@]12Cc3sc(N)nc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 6571157 JJKFNRUISDUQCO-YNGXNRPESA-N 360.567 4.434 0 40 FIAB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)O)N2 6630651 PNOBYFCCHIMDEH-QEEYODRMSA-N 363.413 4.388 0 40 FIAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC(C)C)[C@H]1c1cccs1 6875793 UPJIEJCSBKRROX-RTBURBONSA-N 370.518 4.209 0 40 FIAB COc1ccc(NC(=O)COc2ccc(C)cc2C)cc1Br 6922417 GEUUBYLHSQPZRJ-UHFFFAOYSA-N 364.239 4.092 0 40 FIAB COc1ccc(Cc2nnc(Nc3ccc4ccccc4c3)nc2O)cc1 8743069 UXXNFJGGFGCUIT-UHFFFAOYSA-N 358.401 4.073 0 40 FIAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 8845614 RLPVVCIXCXGYRK-KRWDZBQOSA-N 374.227 4.264 0 40 FIAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)N2C(=N1)Nc1ccccc12 8997401 SULUXNOQVLWZCC-LJQANCHMSA-N 365.408 4.394 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)cc2s1 10253515 QGMUXTAYGKHKEX-UHFFFAOYSA-N 374.487 4.039 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cncc(Br)c1 12259632 JGRHQPZVAITEOB-UHFFFAOYSA-N 373.206 4.165 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)cc1 12297068 DAZDCPFBDVKGAG-QGZVFWFLSA-N 364.397 4.433 0 40 FIAB biogenic O=C(c1ccoc1)N1CCN(Cc2sc3ccccc3c2Cl)CC1 12764883 UWQKGNRZCGZWAA-UHFFFAOYSA-N 360.866 4.106 0 40 FIAB Cc1ccccc1C(=O)N1CCC(C(=O)O[C@H](C)c2ccccc2)CC1 12887630 CGENTNPAESHWQL-QGZVFWFLSA-N 351.446 4.152 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1C 12891951 IVBBQNSLPSJNPS-UHFFFAOYSA-N 352.356 4.125 0 40 FIAB FC(F)(F)c1nnc2ccc(N[C@@H](c3ccc(Cl)cc3)C3CC3)nn12 12923283 MJWNDYLMRYVRDY-CQSZACIVSA-N 367.762 4.360 0 40 FIAB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(Cl)c1 13814270 ZZKWKVRYJNUZER-UHFFFAOYSA-N 368.864 4.480 0 40 FIAB C[C@H](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 13986078 LCDDECKIFDCDFI-QGZVFWFLSA-N 350.462 4.058 0 40 FIAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2N1 14207292 FTALYWSAMBIQPC-LLVKDONJSA-N 353.180 4.197 0 40 FIAB Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)c2c(C)noc2n1 14347593 SYIWBEOOCGAOMX-UHFFFAOYSA-N 365.311 4.033 0 40 FIAB CC[C@H]1CSC(N(CC(=O)c2ccc(OC)cc2)c2ccccc2)=N1 16739974 WSUYQVODMQQHFF-INIZCTEOSA-N 354.475 4.266 0 40 FIAB O=C(CN1CCCCCC1)Nc1nc2c(Cl)cc(Cl)cc2s1 16740505 OIENNXKLKLGPTG-UHFFFAOYSA-N 358.294 4.418 0 40 FIAB Clc1ccccc1CN1CCC(c2nnc(-c3cccnc3)o2)CC1 19348917 RIFCQVQJPXDULH-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB CC(C)c1ccc(-c2n[nH]c(Nc3ccc(N4CCOCC4)cc3)n2)cc1 20414278 DTMGAOAYOQOUCN-UHFFFAOYSA-N 363.465 4.175 0 40 FIAB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc2ncsc2c1 23200351 UTPXJLJZMGSDMW-UHFFFAOYSA-N 360.460 4.349 0 40 FIAB Cc1c(C(=O)N[C@H](C)CCc2ccccc2)cnn1-c1ccccc1F 26220631 HSLRFWIZPYNCGF-OAHLLOKOSA-N 351.425 4.071 0 40 FIAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 26522366 TZURFUQMFTUBTG-UHFFFAOYSA-N 359.297 4.483 0 40 FIAB O=C(Nc1ccncc1)c1ccc(COc2ccccc2Br)o1 28233944 WEGVTAHMNJOFMA-UHFFFAOYSA-N 373.206 4.268 0 40 FIAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 28293154 OWAOCMKRHUSADE-JOCHJYFZSA-N 366.505 4.142 0 40 FIAB COC(=O)c1cc(-c2ccccc2)sc1NCC(=O)Nc1ccccc1 28539633 GJYHQABNSQFPGV-UHFFFAOYSA-N 366.442 4.252 0 40 FIAB Cc1noc2ncc(C(=O)Nc3ccccc3N3CCCCCC3)cc12 31098006 HHFZQDCCGFQNGD-UHFFFAOYSA-N 350.422 4.164 0 40 FIAB Cc1ccc(OCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 32810844 XCMRODDDJMDYAO-UHFFFAOYSA-N 366.486 4.165 0 40 FIAB C[C@@H](Sc1nncn1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 32869313 LRUXHUSFYWWHPP-XXWNAHEMSA-N 371.506 4.186 0 40 FIAB COc1ccc2nc(SCc3ccc(C(=O)N4CCCC4)cc3)[nH]c2c1 36858876 HJOZWZOVWOKYCS-UHFFFAOYSA-N 367.474 4.100 0 40 FIAB Nc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(Cl)cc1 38486687 VDMVUDFDGPSSEE-UHFFFAOYSA-N 353.838 4.293 0 40 FIAB Cc1noc(-c2ccc(C(=O)Nc3nc(-c4cccs4)cs3)cc2)n1 40050029 WWFNCYFEZSNVLG-UHFFFAOYSA-N 368.443 4.482 0 40 FIAB CCC[C@@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 40071286 PYRRTGVVQWFBCJ-LJQANCHMSA-N 352.482 4.022 0 40 FIAB Cc1noc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1 42703059 RHIBODZUZQGIEK-UHFFFAOYSA-N 364.380 4.237 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(Cl)s2)c1C 57810342 GCIWPUSFKQFHNX-NSHDSACASA-N 352.887 4.252 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(C(=O)OC)n3)ccc21 58381455 AFIVTDBVMGAIQR-UHFFFAOYSA-N 373.412 4.248 0 40 FIAB COc1ccccc1-c1ccccc1C(=O)NC[C@H](C(C)C)N1CCCC1 62580870 DAORJMZJSUTWQX-OAQYLSRUSA-N 366.505 4.212 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 64982258 SUBRZEBHGMZJCA-CYBMUJFWSA-N 361.825 4.231 0 40 FIAB Cc1cc([C@@H](C)NC(=O)NCc2cccc(CN3CCCC3)c2)c(C)o1 65499973 RXTKXQDNQARLAJ-MRXNPFEDSA-N 355.482 4.053 0 40 FIAB COc1ccc2cc(NC(=O)CCc3ncc(-c4ccccc4)o3)cnc2c1 79489281 HBKILMMYJFDNMY-UHFFFAOYSA-N 373.412 4.470 0 40 FIAB Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)c(C)n1C1CC1 84079529 UAUJSDSHHPLZEA-IYBDPMFKSA-N 367.493 4.306 0 40 FIAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 84200059 IFKDQRVAZPBMFU-SNVBAGLBSA-N 365.783 4.175 0 40 FIAB O=S(=O)(N[C@H]1CCc2c(Cl)cccc21)C1=Cc2ccccc2CC1 84581791 SAQRCIWCTDUKQM-IBGZPJMESA-N 359.878 4.234 0 40 FIAB O=C(NCCCn1ccnc1-c1ccccc1)Nc1ccccc1Cl 85555155 KWZPPQDHMRRLEW-UHFFFAOYSA-N 354.841 4.415 0 40 FIAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)[C@H]1CCN(Cc2ccccc2)C1 95466109 JKSWQEKCGQVFMO-ZBFHGGJFSA-N 360.860 4.120 0 40 FIAB COc1ccc(CNC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)cc1 98073270 HDJZBHRJHQBJKK-QGZVFWFLSA-N 373.452 4.346 0 40 FIAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 100408975 ZKMLHDUYJWPQJS-OAQYLSRUSA-N 352.478 4.083 0 40 FIAB CSc1cc(C(=O)N[C@@H]2C(=O)Nc3ccccc32)c(Cl)cc1Cl 102303161 MCSPPFUDGRCNRL-AWEZNQCLSA-N 367.257 4.139 0 40 FIAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 114054021 OGSPWJSNOLKNSY-UHFFFAOYSA-N 351.830 4.075 0 40 FIAB CCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2cc(Cl)ccc21 181824401 MFILCPYLLGNXSU-CYBMUJFWSA-N 354.837 4.166 0 40 FIAB Cc1cccc(O[C@H](C)C(=O)NCCOc2cccc3ccccc23)c1C 223551153 ZAZQXHHPINVXCP-GOSISDBHSA-N 363.457 4.419 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1cc(C)ccc1C 224029724 GKRFEAVGINSVHT-GOSISDBHSA-N 361.869 4.309 0 40 FIAB COc1cc(C)c(S(=O)(=O)NCCC2=CCCCC2)cc1C(C)C 224185562 MAMFGWCEZVXTCM-UHFFFAOYSA-N 351.512 4.296 0 40 FIAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CC 225361546 LJCYYPMTMNKQDE-HNNXBMFYSA-N 359.297 4.037 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccccc1F 225686068 WJMVJHUINYPDBH-INIZCTEOSA-N 360.454 4.423 0 40 FIAB C[C@@H]1CC(CNC(=O)c2cn(-c3ccccc3)nc2C(C)(C)C)C[C@@H](C)O1 332301813 NKZKCDYTMQGHAE-HZPDHXFCSA-N 369.509 4.103 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1nc2ccccc2s1 390828156 AEKJJMIISXYZEO-CYBMUJFWSA-N 370.455 4.081 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCOc2cccc(F)c2C1 513073764 HKHWQDCFFNQXDQ-MRXNPFEDSA-N 369.436 4.066 0 40 FIAB O=C(Nc1ccccc1-n1cc(Br)cn1)[C@H]1C[C@H]2CC[C@H]1C2 642517806 CTZDSFVSVBFWAC-OBJOEFQTSA-N 360.255 4.010 0 40 FIAB OCc1cc(-c2cccs2)nc2c(I)cccc12 685936813 AQAKQOATIVBKHA-UHFFFAOYSA-N 367.211 4.060 0 40 FIAB C[C@H]1N(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c2ccccc2C1(C)C 1528818486 QJWLYBAKHXTLAT-CQSZACIVSA-N 362.473 4.267 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)c2ccccc2)CN1c1cccc(F)c1 1615158662 RMZWKUFDYKJWHL-JOCHJYFZSA-N 352.453 4.489 0 40 FIAB CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccccc1 1775967137 GWYSLGJDPNAVTI-HZPDHXFCSA-N 355.459 4.352 0 40 FIAB O=C(NCc1cccs1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977473 IOBOETOXIMFEBA-MRXNPFEDSA-N 358.488 4.009 0 40 FIAB Cc1ccc(-c2noc(CC3CCN(Cc4c(C)noc4C)CC3)n2)cc1 1888890625 RCAABVFCAACGAM-UHFFFAOYSA-N 366.465 4.105 0 40 FIAB CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1 728536 GUPIKTWAUVDSCO-MOSHPQCFSA-N 371.392 4.500 0 40 FIAB CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(C(C)=O)c3)n2)s1 853340 LNOKMOJQALWPTA-UHFFFAOYSA-N 372.475 4.480 0 40 FIAB O=c1c2ccccc2nc(C(Cl)(Cl)Cl)n1Cc1ccc(F)cc1 984133 WUHSAUWSMVTZOX-UHFFFAOYSA-N 371.626 4.411 0 40 FIAB O=C(Oc1ccccc1F)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 984180 RDBLAHRURWZHEV-UHFFFAOYSA-N 358.678 4.365 0 40 FIAB CC(C)CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 1000674 XULHASMDCHYPOK-UHFFFAOYSA-N 369.446 4.060 0 40 FIAB COc1ccc([C@@H]2SCC(=O)N2c2ccc(Br)cc2)cc1 1090627 CZJONILYTNZJBE-INIZCTEOSA-N 364.264 4.236 0 40 FIAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O 1196297 FCUXKEFDXLHNJS-OQLLNIDSSA-N 361.806 4.295 0 40 FIAB CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1366402 FUDRRLGTZGSVNR-UHFFFAOYSA-N 368.864 4.347 0 40 FIAB O=C1C(OCc2ccccc2)=C(c2ccccc2)C(=O)N1c1ccccc1 1751943 HHPORWMLSDNGRI-UHFFFAOYSA-N 355.393 4.188 0 40 FIAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3F)CC2=O)cc1 2192144 RBLMBFRNNNVHAA-INIZCTEOSA-N 354.425 4.160 0 40 FIAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccccc1)SCC(=O)N2 2450889 WDUCYEKVEYVINO-CRAIPNDOSA-N 371.506 4.096 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2F)c1C 3475682 NMFMSAGHKHAEOX-UHFFFAOYSA-N 366.392 4.040 0 40 FIAB CC(C)Oc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 4000009 GLWOZKTWSYZMCO-YAOQVBECSA-N 362.473 4.111 0 40 FIAB biogenic Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(OC(C)C)cc2)cc1 4079682 BHHMGVRHYGHMDJ-UHFFFAOYSA-N 366.461 4.009 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCC(C)C)c(C)c3cc12 4085298 RCJHERRSMOUAAA-UHFFFAOYSA-N 355.434 4.169 0 40 FIAB biogenic CCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 4385046 NEXMWCAHKZEWHL-INIZCTEOSA-N 363.461 4.366 0 40 FIAB CC1=C(C)C[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)[C@@H](C(=O)O)C1 5017672 ZBXDILHDMKPLCT-UXHICEINSA-N 363.457 4.339 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccco1 5374012 RXFVZLUJHDSBOY-UHFFFAOYSA-N 352.415 4.186 0 40 FIAB O=S(=O)(Nc1ccccc1OC(F)F)c1cc(Cl)ccc1Cl 6317214 JLCGDAVKOVOCAO-UHFFFAOYSA-N 368.188 4.396 0 40 FIAB Cc1[nH]c2ccccc2c1C1=CCN(S(=O)(=O)Cc2ccccc2)CC1 6737419 ZRZZXDKDSXPXCN-UHFFFAOYSA-N 366.486 4.095 0 40 FIAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OC)c(Cl)c1 6891650 VATORVOOLVNWKC-HNNXBMFYSA-N 364.854 4.116 0 40 FIAB Cc1cc(NCc2cc(=O)oc3c(C)c(O)ccc23)ccc1Br 7239289 QWPOMCQJTCHSAP-UHFFFAOYSA-N 374.234 4.490 0 40 FIAB COc1ccc(OC)c(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1 7602950 COKBBYACBUMKEI-YBEGLDIGSA-N 357.387 4.063 0 40 FIAB COc1ccc(CNC(=O)c2sc(-c3ccc(OC)cc3)nc2C)cc1 7919908 RJJJCHPEIFATHE-UHFFFAOYSA-N 368.458 4.066 0 40 FIAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7928397 HRHHGZHCWCKNOK-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Cc1cc(NC(=O)[C@@H](Sc2nc(C)c(C)c(C)n2)c2ccccc2)no1 8326094 HSVGJWTWSQSKJQ-KRWDZBQOSA-N 368.462 4.170 0 40 FIAB CC(C)c1cc(C(=O)NCc2ccccc2F)c2cnn(C(C)C)c2n1 8331325 LZPXOPAMOTXMES-UHFFFAOYSA-N 354.429 4.205 0 40 FIAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2ccc(Cl)c(Cl)c2)C1 8699252 YAFUFMBNEFTUBN-GHMZBOCLSA-N 360.237 4.029 0 40 FIAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccccc3F)sc2c1 8903585 CEJNEFKMXLQHBY-UHFFFAOYSA-N 358.394 4.253 0 40 FIAB O=c1[nH]c2ccc(-c3csc(Cc4nc5ccccc5s4)n3)cc2[nH]1 8924950 WUGHCCSBVJHMJV-UHFFFAOYSA-N 364.455 4.180 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 9986753 NRXOZRWBCSHNEE-UHFFFAOYSA-N 360.457 4.222 0 40 FIAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1Cl 10841873 BUXHESFGNWWOMI-LBPRGKRZSA-N 357.841 4.128 0 40 FIAB CC(C)[C@@H](NC(=O)CN(Cc1ccco1)Cc1ccco1)c1cccs1 11471233 WZVYWYBXOUZNRI-HXUWFJFHSA-N 372.490 4.450 0 40 FIAB Cc1ccccc1-c1noc([C@H](C)NC(=O)C2(c3ccccc3F)CC2)n1 12201128 LPUXWSFGNIWKDP-AWEZNQCLSA-N 365.408 4.093 0 40 FIAB COc1ccc(-c2cc(-c3nc(-c4cccc(Cl)c4)no3)n[nH]2)cc1 12415206 KUGKTPPSEXPCCV-UHFFFAOYSA-N 352.781 4.456 0 40 FIAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1C 12553238 HUOLUWZXGDDWRX-IBGZPJMESA-N 368.477 4.378 0 40 FIAB CCOc1cc2c(cc1NC(=O)COc1c(C)cccc1C)O[C@@H](C)C2 12803754 SPZJUNCQFUGLLL-HNNXBMFYSA-N 355.434 4.043 0 40 FIAB CCc1ccc([C@H](NS(=O)(=O)c2ccccc2)c2cccs2)cc1 12915035 BFAOZGBBSVFBNJ-IBGZPJMESA-N 357.500 4.378 0 40 FIAB Cc1nn(C)c2sc(C(=O)Nc3ncc(Cc4ccccc4)s3)cc12 12974146 YUCDHVGFCHWCTH-UHFFFAOYSA-N 368.487 4.243 0 40 FIAB C/C=C/C(=O)Nc1ccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 14404909 WBOHAJFKHQGIFJ-XBXARRHUSA-N 374.444 4.256 0 40 FIAB CCOCc1c(C(=O)Nc2ccc(C(=O)OC)s2)oc2ccccc12 15194091 XJFMMXVZAHXFHO-UHFFFAOYSA-N 359.403 4.070 0 40 FIAB COc1cccc(CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)c1OC 15463621 ZGCAOYNFSLLESW-UHFFFAOYSA-N 367.445 4.268 0 40 FIAB Cc1ccc(CC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 17342401 RLFZXNFGVALWPT-UHFFFAOYSA-N 355.488 4.320 0 40 FIAB CC(=O)N1CCc2sccc2[C@H]1c1ccccc1NCc1ccoc1 19018152 ABTGFVZSGKQTGW-HXUWFJFHSA-N 352.459 4.447 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)c(Cl)c1 20144365 UTWWUKXRWHNFCX-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](CC)Oc1ccccc1Cl 20462398 VRDZNDFQOOMGSS-FUHWJXTLSA-N 366.933 4.268 0 40 FIAB O=C(Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)c1ccccn1 28221668 GQHJKOKQLCBAFN-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB Cc1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)nn1C 28579037 KGYRBJPRFBOSHV-UHFFFAOYSA-N 355.250 4.378 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc2c3c(cccc13)CC2)c1cccc(F)c1 29837939 BRHDQWQVFYGOQY-NRFANRHFSA-N 362.448 4.110 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)cc1OCC 31258140 BRTGEWSBJJCOBR-OAQYLSRUSA-N 369.461 4.374 0 40 FIAB C[C@@H](CN1CCOCC1)[C@@](O)(c1ccc(Cl)cc1)C1CCCCC1 31649081 BNHRDNXAMJPELQ-JXFKEZNVSA-N 351.918 4.076 0 40 FIAB COCCCNc1nc2sc(C)c(C)c2c2nc(-c3ccccc3)nn12 32105092 YODYCQOPJKNSCQ-UHFFFAOYSA-N 367.478 4.071 0 40 FIAB CC(C)Cn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccco1 32870951 BCAZGYZXOBJUBS-UHFFFAOYSA-N 370.478 4.315 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)N1CC[C@H](C)Sc2ccccc21 36619848 XSGGKDBIZLIPFJ-AWEZNQCLSA-N 369.486 4.358 0 40 FIAB Cc1cc(C(=O)NCCCN2c3ccccc3Sc3ccccc32)on1 36834800 XVNNDULDTPKSRG-UHFFFAOYSA-N 365.458 4.406 0 40 FIAB CSc1ccc(CN(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)cc1 40013773 SINDSFLXTJNGBR-KRWDZBQOSA-N 371.502 4.239 0 40 FIAB Cc1cc(N[C@@H](c2ccc3c(c2)CCC3)c2cccs2)n2ncnc2n1 40018059 BNMWPBZUQREUKO-IBGZPJMESA-N 361.474 4.184 0 40 FIAB Cc1nc2cc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)ccc2o1 47330736 CDFZUEDUZBACEP-UHFFFAOYSA-N 366.343 4.359 0 40 FIAB O=C(NCCCC(=O)N1CCC[C@@H]1c1ccsc1)OCc1ccccc1 48234170 VKVKAWRICBCTKG-GOSISDBHSA-N 372.490 4.118 0 40 FIAB COc1ccccc1NC(=O)C1CCN([C@@H](C)c2ccccc2F)CC1 48365083 FPGIBIPZOYIMSI-HNNXBMFYSA-N 356.441 4.246 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Nc2cc(C)c(Cl)cc2OC)cc1 51354309 BYPIQGKHRNYOGP-UHFFFAOYSA-N 362.813 4.478 0 40 FIAB CC(C)c1noc([C@H](C)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 56177363 RLWHJDHPDBNLIT-MCIONIFRSA-N 362.449 4.119 0 40 FIAB C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc[nH]3)c(-c3ccc(F)cc3)n2)C1 57761941 DLVCWVSJJCRBNK-KBPBESRZSA-N 351.429 4.155 0 40 FIAB Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 72377056 YLCLXJYJGKWDDW-GOSISDBHSA-N 368.456 4.109 0 40 FIAB O=C(CCn1ccc2ccc(Cl)cc21)N1CCO[C@@H](c2ccccc2)C1 72403583 MQQWXMZHMXHWAH-HXUWFJFHSA-N 368.864 4.285 0 40 FIAB C[C@@H]1CCN(C)c2ccccc2N1Cc1nc(Cc2ccc(F)cc2)no1 76093217 BKWARRKLJXEQDD-OAHLLOKOSA-N 366.440 4.035 0 40 FIAB Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2C(=O)c1cc(F)cc(F)c1 84129331 POFGFCQWPMEQKS-NOZJJQNGSA-N 359.298 4.012 0 40 FIAB CCN(CC)c1ccc(NC(=O)N[C@@H]2CCSc3ccccc32)cn1 84774506 GATMVMSXQPMICR-MRXNPFEDSA-N 356.495 4.286 0 40 FIAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2cccs2)cc1F 84792361 CTXZEAOVWQTVIF-KRWDZBQOSA-N 374.437 4.087 0 40 FIAB Cc1ccc(CN2CC[C@]3(CCCN(C(=O)c4cccs4)C3)C2)s1 96047017 SYCUZJGQAWOPAY-LJQANCHMSA-N 360.548 4.246 0 40 FIAB CCc1noc(-c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)n1 96346595 CQXQLEIMHNCUHL-UHFFFAOYSA-N 366.402 4.268 0 40 FIAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cn2)CC1 100992863 ANCYVLBWPREUFS-BETUJISGSA-N 367.877 4.005 0 40 FIAB COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c1 102578872 JBHVJUIGZUBKLG-KKSFZXQISA-N 372.428 4.352 0 40 FIAB Cc1ccc(NC(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)s1 194743490 JCBJAQPIBVUFDG-UKRRQHHQSA-N 371.289 4.485 0 40 FIAB CSc1ncccc1C(=O)N1CCS[C@H](c2cccs2)CC1 219522656 BEGAMXNHVIODQJ-AWEZNQCLSA-N 350.534 4.185 0 40 FIAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222910890 OHSDSIWRLZWAAJ-KRWDZBQOSA-N 374.500 4.206 0 40 FIAB O=C(c1cc2cc3ccccc3nc2s1)N1CCN(c2ccccc2)CC1 223132444 OOXSDCIADISZSB-UHFFFAOYSA-N 373.481 4.412 0 40 FIAB COc1ccc(C(=O)NCCOc2ccccc2C(C)(C)C)cc1Cl 223735480 DQQMQTISCSIUDK-UHFFFAOYSA-N 361.869 4.455 0 40 FIAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1cnccn1 223997383 IGKUXJYLHHKVTD-UHFFFAOYSA-N 360.914 4.319 0 40 FIAB CCCCOCc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OC 224443066 UNONBFGZYKVPRO-UHFFFAOYSA-N 370.449 4.223 0 40 FIAB C[C@H]1CCCN(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 225735842 YBUGYAVYSHTHBT-ZDUSSCGKSA-N 359.461 4.114 0 40 FIAB Cc1ccc(NC(=S)NC2(C(C)C)CCCC2)cc1N1CCCC1=O 225870150 LESAARXAYJJUCN-UHFFFAOYSA-N 359.539 4.377 0 40 FIAB Nc1cc(Br)c(N2CCc3ccccc32)c(Br)c1 252499577 SBMXRGUSABRCOQ-UHFFFAOYSA-N 368.072 4.488 0 40 FIAB Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccccc3)cc2)c(C)s1 408579877 KYZQAFWSEWAHQQ-UHFFFAOYSA-N 351.427 4.467 0 40 FIAB Cc1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@@]2(O)C(F)(F)F)o1 409101287 XRSFKXZHHGJOAY-XWCIJXRUSA-N 372.387 4.113 0 40 FIAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1 409206599 XWPAXQNDPSRHAL-XDOYNYLZSA-N 370.449 4.341 0 40 FIAB O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1)c1cccnc1 506546059 DXKQEWDODBPPQE-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB O=C(O)[C@H](c1ccsc1)N1CCC(c2nc3c(s2)CCCC3)CC1 568641674 QANKTPGWRJZKCA-INIZCTEOSA-N 362.520 4.089 0 40 FIAB CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1nc(C2CC2)n2ccccc12 585083278 LQDBZTRWKBYZTR-SFHVURJKSA-N 363.461 4.444 0 40 FIAB Cc1nn(C)c2cc(N[C@@H]3CCN(Cc4ccccc4)C4(CC4)C3)ccc12 648037020 CXRBYDQLJZSWMY-HXUWFJFHSA-N 360.505 4.491 0 40 FIAB CCOc1nc(Nc2ccc(Oc3ccc(C)nn3)cc2)ncc1Cl 1162550658 SLEASBOOJJIKAA-UHFFFAOYSA-N 357.801 4.163 0 40 FIAB O=C(Nc1ccc(-c2nccs2)cc1)N1C[C@@H](O)C[C@H]1c1ccccc1 1562097953 WZMFTUHUDQWTBN-ROUUACIJSA-N 365.458 4.150 0 40 FIAB CC(C)(C)c1ccc(NC(=O)N2CCCN([C@@H]3CCSC3)CC2)cc1 1565522046 ATMVOBIRXFQXJN-GOSISDBHSA-N 361.555 4.029 0 40 FIAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(NCC2CC2)nc1 1586943009 YZSVSZMQUJKSFX-UHFFFAOYSA-N 368.868 4.011 0 40 FIAB Cc1cc(N2CCC(c3ccc4cc(C5CC5)cnc4n3)CC2)nc(C)n1 2086889828 PEHJFWQEWXMCOO-UHFFFAOYSA-N 359.477 4.298 0 40 FIAB O=c1sc2c(n1-c1ccccc1)SC[C@H]1COc3ccccc3[C@@H]21 944563 ZDUJYIXEKXHKER-WBMJQRKESA-N 353.468 4.145 0 40 FIAB Cc1nc(SCC(=O)OC(C)(C)C)c2c3c(sc2n1)CCCC3 948779 PPQYRCXELJQTRU-UHFFFAOYSA-N 350.509 4.312 0 40 FIAB COc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 993982 BZHHSVQHHFTZJO-UHFFFAOYSA-N 373.474 4.453 0 40 FIAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C[C@H](C)O[C@@H](C)C1 1022054 CFCWXPWMBGDYBU-UWVGGRQHSA-N 369.248 4.206 0 40 FIAB CCn1cc(CC[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c2ccccc21 1411018 HGWOZBRFCZNAMX-HNNXBMFYSA-N 374.481 4.100 0 40 FIAB CCCCc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 2093123 ONYYPQNMHXDQSR-UHFFFAOYSA-N 365.429 4.462 0 40 FIAB biogenic Cc1ccc(CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 2954349 YDCWCGYVHSFGMJ-UHFFFAOYSA-N 368.546 4.194 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4143542 RDDOMPLINKUVSR-MVJTYMMSSA-N 373.374 4.497 0 40 FIAB COC(=O)[C@@H](Oc1cc2oc(=O)cc(C)c2cc1Cl)c1ccccc1 4747495 XOBIBUWVFPBDIF-SFHVURJKSA-N 358.777 4.048 0 40 FIAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cccc3ccccc23)cc1 4836639 IKOXSCNPZKPMHG-UHFFFAOYSA-N 361.397 4.228 0 40 FIAB CCOc1ccc(-c2nn3c(-c4ccc(OCC)cc4)nnc3s2)cc1 5068958 OBUMQJLSWPDDML-UHFFFAOYSA-N 366.446 4.317 0 40 FIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)N1CCc2ccccc21 5146646 DDYBCYLPQYQWFR-UHFFFAOYSA-N 359.454 4.195 0 40 FIAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 5235072 KUMKEZTXFXCUGF-HNNXBMFYSA-N 361.507 4.422 0 40 FIAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C 5262090 KWIGLLZBJZWQCD-ZDUSSCGKSA-N 370.453 4.049 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 5461938 IBOWYDGZBIHXAW-UHFFFAOYSA-N 355.434 4.178 0 40 FIAB Cc1cc(SCC(=O)Nc2ccccc2)n2ncc(-c3ccccc3)c2n1 5551772 XKWPJARMSWSIPD-UHFFFAOYSA-N 374.469 4.436 0 40 FIAB Brc1ccc(-c2csc(NNC3=NCCCCC3)n2)cc1 5579844 DBDPTRVWBRNGGR-UHFFFAOYSA-N 365.300 4.462 0 40 FIAB Cc1ccc(C(=O)NCCN(C(=O)c2ccc(C)cc2)c2ccccc2)cc1 6814341 BNMOVZVHFZWKJH-UHFFFAOYSA-N 372.468 4.380 0 40 FIAB Fc1ccccc1OCc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 6884654 SWHZNDCQRNCBMZ-UHFFFAOYSA-N 374.828 4.008 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)c3ccccc3)o2)c1 7159392 MWACJUHCGJKKRK-UHFFFAOYSA-N 353.447 4.109 0 40 FIAB CCc1n[nH]c(=S)n1NCc1ccc2c(c1)c1ccccc1n2CC 7365438 IMIUMNNOLKCLNC-UHFFFAOYSA-N 351.479 4.375 0 40 FIAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)CCC2 7869005 PBACZNRPNCVTBF-CQSZACIVSA-N 369.486 4.456 0 40 FIAB O=C(COc1ccc(F)cc1Cl)NCCCn1ccc2ccccc21 7990431 HNEXBVMEUXATTI-UHFFFAOYSA-N 360.816 4.019 0 40 FIAB Cc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NCc3ccco3)cc2c1 8580989 DAGRCIAXUKKXJX-UHFFFAOYSA-N 370.412 4.356 0 40 FIAB Cc1csc2nc(CSCc3c(F)cccc3Cl)cc(=O)n12 8752875 OMESSCPVEFMNGE-UHFFFAOYSA-N 354.859 4.290 0 40 FIAB Cn1ccnc1[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1ccccc1F 9335953 DSXNTUKJRVVPJR-JBVUFVISSA-N 369.827 4.132 0 40 FIAB Clc1ccccc1C1=NCc2nncn2-c2ccc(Br)cc21 10152022 HGHGSOBPNPCMHF-UHFFFAOYSA-N 373.641 4.034 0 40 FIAB COc1cc(Cl)c(NC(=O)CSCc2ccccc2)cc1OC 11058549 SIIDLMTZHDQYTC-UHFFFAOYSA-N 351.855 4.229 0 40 FIAB Cc1ccccc1Cn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667288 JCOONCVBCOSJNV-INIZCTEOSA-N 359.429 4.477 0 40 FIAB COc1cccc(NC(=S)N2CCC(C(=O)c3ccc(F)cc3)CC2)c1 12481527 GCRWHILESDKSDN-UHFFFAOYSA-N 372.465 4.126 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 12547947 NVKPVIKRJFNDJN-HXUWFJFHSA-N 353.853 4.416 0 40 FIAB CC(C)(C)n1ncc(C(=O)NCc2cccc(Cl)c2)c1C(F)(F)F 12856110 YRSLHIWRQHIBAJ-UHFFFAOYSA-N 359.779 4.240 0 40 FIAB C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(-n2cncn2)cc1 12938567 ROLOSHYMMOJMRO-LLVKDONJSA-N 361.232 4.065 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCCO2 12976746 PWNOJEYANQBXCJ-UHFFFAOYSA-N 351.324 4.048 0 40 FIAB CCC[C@@H](C)NC(=O)c1cc(Br)c(Br)s1 13020495 PXVGGHHZQKNLRU-ZCFIWIBFSA-N 355.095 4.192 0 40 FIAB S=C(Nc1ccccc1Cl)N(Cc1ccco1)C[C@H]1CCCO1 13693311 YQNPYNOMOJQWSM-CQSZACIVSA-N 350.871 4.311 0 40 FIAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 13815232 JECPIGHWTVYHJM-UHFFFAOYSA-N 355.246 4.209 0 40 FIAB C[C@H](OC(=O)COc1ccc2ccccc2c1)C(=O)c1ccc(F)c(F)c1 14674461 SIEXNNUISGNCKQ-ZDUSSCGKSA-N 370.351 4.311 0 40 FIAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H](c3ccccc3)C2=O)cc1 15413353 RSUJQINVBHFEAY-HSZRJFAPSA-N 370.452 4.425 0 40 FIAB O=C(Cn1c(-c2cncs2)nc2ccccc21)N1CCCc2ccccc21 16524747 MLZVJMJMZYYNKT-UHFFFAOYSA-N 374.469 4.139 0 40 FIAB CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC[C@@H](C)C3)c(O)n2n1 16690043 IVZDMQKTPQAUAG-RHSMWYFYSA-N 370.522 4.189 0 40 FIAB Cc1cccc(CN(C)C2CCC3(CC2)CNCc2ccccc2O3)c1 19234931 WDZWWKHTCMFNDO-UHFFFAOYSA-N 350.506 4.290 0 40 FIAB Cc1cnccc1CN1CCC(c2nc3ccc(F)cc3cc2N)CC1 19239504 QSJBZTZFIDBVES-UHFFFAOYSA-N 350.441 4.039 0 40 FIAB Cc1sc2c(C3CCN(C(=O)C[C@@H]4C=CCC4)CC3)nc(C)n2c1C 19561792 NPRWVKMIMOGLFB-MRXNPFEDSA-N 357.523 4.383 0 40 FIAB Cn1cc(CCC(=O)N2CCc3[nH]c4ccccc4c3C2)c2ccccc21 19657529 IRMPZLBKWIALRV-UHFFFAOYSA-N 357.457 4.177 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)c2c(C)nc3c(C)cccn23)cc1 19716785 YIHOUMLFQOSEQN-LJQANCHMSA-N 363.461 4.327 0 40 FIAB CCCCCOc1ccc(S(=O)(=O)n2ccnc2CC)c2ccccc12 19942760 RKKZTLYWLOTYJY-UHFFFAOYSA-N 372.490 4.405 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20039560 XBPXVLPROVBDEL-UHFFFAOYSA-N 366.505 4.036 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1C 20040962 ADIBXFNVNKDTKJ-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 20105931 GIYFOQGWWPUVNE-LPHOPBHVSA-N 371.477 4.355 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 21378974 CMDBKDMQVBFXPB-HZPDHXFCSA-N 365.429 4.055 0 40 FIAB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)C)c3)nc2c1 21596305 ZAFTYOGBEAUOOZ-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB Clc1ccccc1COc1ccc2ccccc2c1CNc1nnn[nH]1 22111601 SKCLTXPXSDFKFK-UHFFFAOYSA-N 365.824 4.197 0 40 FIAB CCCCSc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)s1 22490386 KTFCRBJCGXXKPO-NWDGAFQWSA-N 359.586 4.217 0 40 FIAB O=c1[nH]c(COc2c(Cl)cccc2Cl)nc2ccc(Cl)cc12 23200075 IKBOZZBEXLTCHB-UHFFFAOYSA-N 355.608 4.462 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)CCn2ccc3ccccc32)cc1 27222842 SQPNVBVVTGUKMV-UHFFFAOYSA-N 363.461 4.152 0 40 FIAB COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(C)cc2)cc1 27795691 ZPFJBTNLFJUSPX-UHFFFAOYSA-N 351.402 4.209 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ncc(Cl)cc1Cl 27976876 NQHVAWZGOWXSOG-UHFFFAOYSA-N 361.232 4.443 0 40 FIAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)c1cccc(Br)c1 28048024 WJZFCZXSSOKZSE-OCHBPSSRSA-N 366.280 4.100 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccnn1Cc1ccc(C)cc1 28292197 DOOYHDXHTRKTOB-SFHVURJKSA-N 367.424 4.175 0 40 FIAB CCCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2ccccc12 30768932 JTCYPMRGNTVTNR-UHFFFAOYSA-N 369.486 4.150 0 40 FIAB Cc1cc(C(=O)CCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c(C)s1 32819146 YQOIZUPZZHOWRX-GFCCVEGCSA-N 355.463 4.082 0 40 FIAB CCOc1ccc(-c2csc3ncnc(SCCC(=O)O)c23)cc1 36108766 BRXZQBGAUIEEBL-UHFFFAOYSA-N 360.460 4.324 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 38858293 AKEIILIDAHNUDA-GOSISDBHSA-N 370.880 4.393 0 40 FIAB COc1ccc(CNC(=O)C(C)(C)c2ccc(Br)cc2)cc1 40107230 XILXESYYILIPED-UHFFFAOYSA-N 362.267 4.052 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccc(Br)cc2)C1 40284716 BEYJWDCCLZHVST-CQSZACIVSA-N 369.222 4.153 0 40 FIAB Cc1c(CNC2CCCC2)nn(-c2ncccc2Cl)c1-c1cccnc1 40949971 GZENXSQONSXYLR-UHFFFAOYSA-N 367.884 4.323 0 40 FIAB COc1ccc(C(=O)N2CCCSc3ccccc32)cc1OC(F)F 42386709 HJZPLNQDFCXMQB-UHFFFAOYSA-N 365.401 4.439 0 40 FIAB CC(C)c1nc(CSc2nnc(Cc3cccs3)n2C2CC2)no1 52890341 LZXFLGYFIVAGKU-UHFFFAOYSA-N 361.496 4.064 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)cc1 67061086 HPHDPKXEJPARJC-KUHUBIRLSA-N 360.404 4.117 0 40 FIAB CCn1ccnc1CN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72350275 WCFDUIUKTRFXAK-KRWDZBQOSA-N 364.468 4.484 0 40 FIAB CC(=O)Nc1nc(C(=O)N(Cc2ccccc2)[C@@H]2CCCC2(C)C)cs1 75105476 LQSRWGZVPFDCOC-QGZVFWFLSA-N 371.506 4.323 0 40 FIAB COc1cccc([C@H](Nc2ncc(Br)cn2)C(C)(C)C)c1 75105790 HVQNNSTYVTUASA-AWEZNQCLSA-N 350.260 4.447 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)[C@@H]1C[C@@H]1c1ccco1 84017156 XWSKKPPINKKQHT-LSDHHAIUSA-N 356.809 4.274 0 40 FIAB Cc1ccc2s/c(=N/C(=O)c3ccc4ncsc4c3)n(C)c2c1C 100878912 ICYVDUNDNJAATM-CZIZESTLSA-N 353.472 4.207 0 40 FIAB CCOC(=O)Cc1cccc(OC(F)(F)F)c1NC(=O)OC(C)(C)C 199816245 LUUMPEFJRLXELR-UHFFFAOYSA-N 363.332 4.038 0 40 FIAB COC(=O)c1cn(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c2ccccc12 222626711 MYKWVEBTSNWGPD-OAHLLOKOSA-N 351.402 4.152 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCOc1cc(C)cc(C)c1 224092087 QGVTUBDEPMINEE-NRFANRHFSA-N 355.478 4.273 0 40 FIAB Cc1cc(OCC(=O)Nc2nnc(SC(C)C)s2)cc(C)c1Cl 224842408 YHXUGDQATMLTMB-UHFFFAOYSA-N 371.915 4.326 0 40 FIAB CCOc1ccc(C(=O)NCCN(CC)c2ccc(C)cc2)cc1OCC 225066947 WQQRADRMDJAHPK-UHFFFAOYSA-N 370.493 4.049 0 40 FIAB CSc1nnc(NC(=O)CCCSc2ccc(Cl)cc2)s1 225474142 MFRICHCDUNOYJK-UHFFFAOYSA-N 359.929 4.424 0 40 FIAB Cc1ccc(OCCNC(=S)Nc2ccc(Br)cc2)cc1 225561765 KJGXJYVEVBJVML-UHFFFAOYSA-N 365.296 4.123 0 40 FIAB Cc1ccc(C2(CNC(=O)N3CCC[C@H](c4cc[nH]n4)C3)CCC2)cc1C 683994614 PHXXHVZRXHYREA-SFHVURJKSA-N 366.509 4.037 0 40 FIAB COc1cc(NC(=O)c2cccc(Br)c2)c2ccccc2n1 1131588641 JVQDRNGCTGGBQK-UHFFFAOYSA-N 357.207 4.258 0 40 FIAB F[C@H]1CCCN(Cc2cc(Br)ccc2Br)C1 1140633333 SMEXRZGIFASISH-NSHDSACASA-N 351.057 4.146 0 40 FIAB O=C(Nc1ccccc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1050553 DPRYZDRJQQWHHE-OAHLLOKOSA-N 358.703 4.149 0 40 FIAB O=c1nc(Nc2cc(C(F)(F)F)ccc2Cl)sc2ncccc12 1425902 OSKOAYZBFZCFEB-UHFFFAOYSA-N 357.744 4.467 0 40 FIAB CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)CC4)O[C@@H](C)[C@H](C)C3=O 1640480 DOQZDHYXBAJGFY-RYUDHWBXSA-N 370.445 4.449 0 40 FIAB COc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1Cl 2630655 HUDNIIARNQSSLS-UHFFFAOYSA-N 366.653 4.456 0 40 FIAB COc1ccccc1CNC(=O)CCCSc1nc2ccccc2s1 2631997 PTNFGIFPSFSBGA-UHFFFAOYSA-N 372.515 4.494 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(N(C)C)cc2)sc2c1CCCC2 3187539 XNYFLUDMQQOBGO-UHFFFAOYSA-N 372.490 4.122 0 40 FIAB Cc1csc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1 3413917 GFLUEFXNRFQQFA-UHFFFAOYSA-N 354.500 4.449 0 40 FIAB O=C(/C=C/c1ccco1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 3486864 YVEHQVNGHMOPBZ-FEAKQIBJSA-N 354.431 4.115 0 40 FIAB CCn1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 5265959 TWODCXFGMXBYJL-UHFFFAOYSA-N 366.440 4.154 0 40 FIAB CCCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1 5485067 KCETYMRKCRVYRF-UHFFFAOYSA-N 355.369 4.307 0 40 FIAB CC[C@@H](C(=O)Nc1nnc(COc2ccccc2)s1)c1ccccc1 5551665 NAVDEUIOBCEVFP-MRXNPFEDSA-N 353.447 4.249 0 40 FIAB COc1ccc(OCCSc2nnc(C3CC3)n2-c2ccccc2)cc1 6128472 KQQCIYOMJFEIQD-UHFFFAOYSA-N 367.474 4.324 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1N1CCOCC1 6896318 UUFLKEGXRLJKQR-UHFFFAOYSA-N 365.260 4.011 0 40 FIAB CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccccc1 7047544 NBXINAICOJDTAK-UHFFFAOYSA-N 369.475 4.369 0 40 FIAB Cn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21 7344325 GQMOCRBUBFKIAO-UHFFFAOYSA-N 365.380 4.323 0 40 FIAB C[C@H](NC(=O)COC(=O)c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 7513363 SDJSYBSEXZZPJM-JTQLQIEISA-N 370.207 4.167 0 40 FIAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3ccccc3o2)c(C)c1 7645750 XEKAMTRGKANRPP-UHFFFAOYSA-N 350.418 4.069 0 40 FIAB C[C@@H]1CN(C(=O)c2cc(Cl)ccc2OCc2ccccc2)C[C@@H](C)O1 7687591 NARZJSZNIYHVQN-HUUCEWRRSA-N 359.853 4.168 0 40 FIAB O=C(OCc1nc2ccccc2o1)c1csc(-c2ccc(F)cc2)n1 7710315 ZPEWDYQBGGALOU-UHFFFAOYSA-N 354.362 4.447 0 40 FIAB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)c1nnc(-c2cccs2)o1 7914653 QMFIGMCAWTZQSD-AWEZNQCLSA-N 370.478 4.046 0 40 FIAB CC[C@@H](CO)NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8326372 OBULWXKZHUQARQ-INIZCTEOSA-N 354.277 4.433 0 40 FIAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnc2n1CCCCC2)c1ccccc1 8539070 MCCGKMLZBIBKLI-WBVHZDCISA-N 372.538 4.143 0 40 FIAB C[C@@H]1CCc2nc(NC(=O)c3ccc(Br)s3)sc2C1 8776393 GBTIOMJSFMJXPL-SSDOTTSWSA-N 357.298 4.344 0 40 FIAB CCOc1cc(Cl)cc2cc(C(=O)Nc3ccccc3F)c(=O)oc12 9239258 OTBDVAMDOZDOQZ-UHFFFAOYSA-N 361.756 4.237 0 40 FIAB CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCC(C(=O)NC)CC2)C(C)C)cc1 9795213 TWYVHEPPFUUAPY-JXFKEZNVSA-N 373.541 4.065 0 40 FIAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(C)noc3C)cc2)n1 11286775 KFEJTKVHAUZNSW-UHFFFAOYSA-N 354.435 4.102 0 40 FIAB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)c(OC)c1 11657361 BXYYLLXQWJESAY-UHFFFAOYSA-N 359.381 4.168 0 40 FIAB Cn1ncc(Cl)c1[C@@H]1CCCCCN1C(=O)c1c(F)cccc1F 12119564 VGERUJUOOHTPOO-AWEZNQCLSA-N 353.800 4.109 0 40 FIAB Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2[C@H]2CCCO2)on1 12142267 FJEGNHHTMXMMEO-MRXNPFEDSA-N 354.385 4.043 0 40 FIAB O=C(CCc1cc(Cl)no1)N1CCC(c2cc3ccccc3cn2)CC1 12144037 GTDSTOBRIMIIBL-UHFFFAOYSA-N 369.852 4.215 0 40 FIAB COc1cc(NC(=O)Cc2cnc(-c3ccccc3F)s2)cc(OC)c1 12391846 HGTVQHPUAGPWSC-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1Br 12742234 QQLODNMKWJCZGW-UHFFFAOYSA-N 372.262 4.387 0 40 FIAB Cc1c(C(=O)OCc2nc(-c3ccsc3)no2)oc2ccc(F)cc12 12856868 MUESPBBDJICWCW-UHFFFAOYSA-N 358.350 4.349 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(O)cc3O)cs2)c(C)c1 12902974 AJCFVSGPVHOKGU-UHFFFAOYSA-N 354.431 4.019 0 40 FIAB Cc1noc(C)c1C(=O)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 12971787 FYRVOYLUCJMJIR-LJQANCHMSA-N 352.459 4.361 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2cccs2)c1 12977607 GQTDKFYAKCANFJ-LJQANCHMSA-N 357.500 4.433 0 40 FIAB Cc1nc(COc2cccc(C(=O)N3CCc4ccccc43)c2)cs1 12981009 XOBDOEWQNVIAAJ-UHFFFAOYSA-N 350.443 4.233 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)/N=c1\[nH]c2ccccc2s1 13725022 LFXRYHHOKQAWPA-UHFFFAOYSA-N 351.456 4.402 0 40 FIAB COc1cc(/C=C/C(=O)Nc2cccc(NC(C)=O)c2)ccc1OC(C)C 14136204 FKACWLSKOCQDRV-PKNBQFBNSA-N 368.433 4.093 0 40 FIAB CCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1 14258041 KVMDKGKXKJEYJM-UHFFFAOYSA-N 354.431 4.470 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14260616 BIVKETDGVQTLRZ-UHFFFAOYSA-N 371.362 4.421 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(OC)cc1Cl 14397846 OBNPDRWUZONIKO-SNVBAGLBSA-N 370.232 4.417 0 40 FIAB Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 16089780 AXUSRXKCGGYMLU-UHFFFAOYSA-N 350.745 4.435 0 40 FIAB COc1cc(C(=O)N[C@@H](C)c2cccnc2)ccc1OCc1ccccc1 17801579 WYSWTPIDVBZSLD-INIZCTEOSA-N 362.429 4.160 0 40 FIAB C[C@@H]1Cc2cc(CCC(=O)N(Cc3ccccn3)C3CCCC3)ccc2O1 19498107 SUMRKRWWRAZDPA-QGZVFWFLSA-N 364.489 4.309 0 40 FIAB CCCCc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccnc2)[nH]n1 19502355 KQLOSGXNAMOUJI-LJQANCHMSA-N 368.868 4.320 0 40 FIAB CO[C@@H]1c2ncc(-c3ccccc3)cc2Sc2nc(-c3cccnc3)nn21 19592687 BYFZGURRUZJEFW-LJQANCHMSA-N 373.441 4.060 0 40 FIAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(C)c1C 19943194 JRSGAIGSPIJWGB-GJZGRUSLSA-N 353.528 4.149 0 40 FIAB CC(=O)NC(=S)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C 21578972 HUUMSKLSYNDRGV-UHFFFAOYSA-N 353.447 4.253 0 40 FIAB O=C(CSC1=Nc2ccccc2CS1)NCCCc1ccccc1 21627242 NXYNFJITMKDNID-UHFFFAOYSA-N 356.516 4.403 0 40 FIAB COc1cccc(-c2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1 21891543 XYHITVVBDDMDLI-UHFFFAOYSA-N 358.488 4.492 0 40 FIAB CCc1nc(C)c2c(C)c(C(=O)N[C@H](C)c3ccccc3OC)sc2n1 22609219 AGFURRYKCPKFGN-GFCCVEGCSA-N 369.490 4.370 0 40 FIAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc(Cl)c(Cl)c1 24216785 RECMSQQMKZZDES-UHFFFAOYSA-N 371.293 4.042 0 40 FIAB C[C@H](NC(=O)c1ccc(CN2CCO[C@H](C)C2)cc1)c1cccc(Cl)c1 25054982 UFPGYGYRNCAPTQ-CVEARBPZSA-N 372.896 4.052 0 40 FIAB Cc1ccc(C)c(Nc2nc(NCCc3ccccc3)nc3c2cnn3C)c1 27666406 TTYSCALBGRNNJY-UHFFFAOYSA-N 372.476 4.378 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2ccccc2Cl)o1 27974158 FRCJCGHLFPHSLQ-UHFFFAOYSA-N 371.776 4.493 0 40 FIAB Cc1cc(C)nc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)n1 27983339 ZPMIOVNFFFSEGE-UHFFFAOYSA-N 363.417 4.006 0 40 FIAB Cc1nccn1-c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 28239838 YPMKOZJPQSSJKH-UHFFFAOYSA-N 357.413 4.351 0 40 FIAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2)N2CCCCC2)c1 28291999 DEDQAUFNDQXMNV-JOCHJYFZSA-N 366.505 4.026 0 40 FIAB CCOc1ccccc1C(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610019 JPLQKZASCZCQBY-UHFFFAOYSA-N 373.815 4.375 0 40 FIAB C[C@H]1OC(=O)C(c2n[nH]c(=O)c3ccccc23)=C1c1ccc(C(C)(C)C)cc1 32913493 FOUZWZUHHLJWFQ-CYBMUJFWSA-N 374.440 4.077 0 40 FIAB CCCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 32936383 JQGTXNWNSKNDCI-FQEVSTJZSA-N 362.408 4.247 0 40 FIAB COc1c(C)ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1C 33049546 MOXJLXDPJVVBCW-HXUWFJFHSA-N 364.445 4.215 0 40 FIAB COc1ccccc1/C=C1/SC(=O)N(CNc2cc(C)ccc2C)C1=O 33907107 AVBPOLLYOQHIBJ-WOJGMQOQSA-N 368.458 4.418 0 40 FIAB Cc1ccc(-c2noc(CCc3nc(-c4ccc(F)cc4)no3)n2)cc1 41097734 SANIZXARDWLPPG-UHFFFAOYSA-N 350.353 4.019 0 40 FIAB Cc1nc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2o1 41347266 NYLIQXUUWXXLBT-UHFFFAOYSA-N 351.189 4.461 0 40 FIAB CN(C)C(=O)[C@H](N[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1 48309619 NUBLQVYZLHNSQV-DHIUTWEWSA-N 358.485 4.390 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCc1ccc(O)cc1 54633380 OESPZUDXIAXEPH-UHFFFAOYSA-N 374.799 4.121 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 60512854 OVXNXQAZQBPDCD-SDNWHVSQSA-N 356.853 4.474 0 40 FIAB CC(=O)N(C)c1nc(COC(=O)c2c(C)c(C)c(C)c(C)c2C)cs1 63953324 FYPCBHKLBJNYDR-UHFFFAOYSA-N 360.479 4.025 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc1O 66113544 MDRKJMLXLVCUIU-IBGZPJMESA-N 370.401 4.027 0 40 FIAB biogenic,in-vitro CCOc1cccc(CNC[C@H](c2cccc(OC)c2)N2CCCC2)c1 71947028 BXGPSOXYWYFOGW-JOCHJYFZSA-N 354.494 4.021 0 40 FIAB CCC(CC)[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)OC 72300927 OAQNTHJRPALPAR-CQSZACIVSA-N 353.871 4.262 0 40 FIAB O=C(C/C=C/c1ccc(F)cc1)Nc1cccc(C(=O)N2CCCCC2)c1 75091922 QCUJTKYPRVMSEW-GQCTYLIASA-N 366.436 4.494 0 40 FIAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CCCCC2 79473345 BRTAVWYRVUWOCD-XLIONFOSSA-N 368.521 4.350 0 40 FIAB COC(=O)c1[nH]c(C)c(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1C 89502482 LTEAZCIBYJGCMK-CYBMUJFWSA-N 350.418 4.062 0 40 FIAB Cc1cccc(OC2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)n1 95462514 SWLMWOMEAFOCBE-UHFFFAOYSA-N 367.424 4.228 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 95464356 ZMFZGULQAOPEOD-IEBWSBKVSA-N 370.497 4.204 0 40 FIAB C[C@H](CNc1ccc(OCC(F)(F)F)c(C(N)=O)c1)Cc1ccccc1 96013611 OKOICXMNAGYGEC-ZDUSSCGKSA-N 366.383 4.017 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccc2c(ccn2C)c1 96221169 RBQVQXPZTMYWBU-HXUWFJFHSA-N 373.456 4.476 0 40 FIAB biogenic CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 219520186 MZYPLUHSARQFCE-VQIMIIECSA-N 371.477 4.355 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCCC3)c1C 222862797 UDDMJTKPRHKPGZ-UHFFFAOYSA-N 367.445 4.068 0 40 FIAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222898624 SYGIIHQQKRTZAR-UXHICEINSA-N 362.502 4.255 0 40 FIAB O=C(CCSCc1ccccc1)Nc1nnc(-c2ccccc2)s1 223107049 SEKHHCBERLPXSU-UHFFFAOYSA-N 355.488 4.467 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H](C)COc2ccccc2C)c1 223219764 HUKLLTPZLCKZLM-GOSISDBHSA-N 355.478 4.389 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(-c2ccccc2)s1 224835702 RHHWVGJJYNLMDX-OAHLLOKOSA-N 353.447 4.310 0 40 FIAB CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 224864888 MUJBTBXMLBXPIT-NRFANRHFSA-N 367.489 4.438 0 40 FIAB O=C(c1cccc(Cl)c1)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225730227 YWFPMRADMUWZHP-AWEZNQCLSA-N 370.758 4.047 0 40 FIAB Cc1cc(C)c2c(=O)ccn(CC(=O)N[C@@H](C)c3ccc(Cl)cc3)c2c1 225758150 RLRFTDMURAJYHW-HNNXBMFYSA-N 368.864 4.149 0 40 FIAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1N(C)C(=O)C(F)(F)F 226358284 RKOYRTUZPFHTGY-UHFFFAOYSA-N 361.319 4.294 0 40 FIAB Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 242463245 BRJQXFIMLPNNLZ-UHFFFAOYSA-N 356.853 4.139 0 40 FIAB CC[C@H](C)OC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 245333801 ATVQCPSTHQBYQA-QXSBGZJOSA-N 352.430 4.226 0 40 FIAB CCc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2)cc1 408972895 WRWUQJSFDPTERE-UHFFFAOYSA-N 362.429 4.119 0 40 FIAB CCCO[C@@H]1CCCN(C(=O)c2ccc(Nc3cccnc3)cc2)CC1 668461300 PNXMQQHYWXMGGC-HXUWFJFHSA-N 353.466 4.247 0 40 FIAB CC(C)c1ccc([C@@H](C)NC(=O)Nc2cn(Cc3ccccc3)nn2)cc1 669997135 LXLNMOOVUQLWQC-MRXNPFEDSA-N 363.465 4.333 0 40 FIAB Cc1nn(C)c(C)c1CNC(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 678950761 VAURWXIAIMHNJG-KXBFYZLASA-N 366.509 4.136 0 40 FIAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ccnc(C(C)(C)C)n1)C2 2086896492 ASXLAMDFSJOORH-KBPBESRZSA-N 361.486 4.083 0 40 FIAB CC(C)c1noc(CN2CCC(c3ccc4cc(Cl)cnc4n3)CC2)n1 2086896504 DRDNKQZFCRUDQR-UHFFFAOYSA-N 371.872 4.169 0 40 FIAB Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Br)c1 671675 GHERVJGZJLJACY-UHFFFAOYSA-N 354.631 4.428 0 40 FIAB CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 806726 JMVMIIZMKRDNAG-AWEZNQCLSA-N 372.852 4.119 0 40 FIAB COc1ccc(NC(=O)c2c(NC(C)=O)sc3c2CC[C@@H](C)C3)cc1 982301 BMHWPQJESDRTBL-LLVKDONJSA-N 358.463 4.092 0 40 FIAB c1ccc2c(Nc3nc(N4CCOCC4)c4ccccc4n3)cccc2c1 1297351 CXJZUNGUSNDFTP-UHFFFAOYSA-N 356.429 4.363 0 40 FIAB Cc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3 1300526 AWWIOCHTWWZHTO-UHFFFAOYSA-N 365.458 4.267 0 40 FIAB COc1ccccc1[C@H](OC(=O)c1cccs1)C(=O)NC1CCCCC1 1381168 YUJQOZVYLOCVBG-SFHVURJKSA-N 373.474 4.104 0 40 FIAB Clc1ccc(CSc2ncnc3c2ncn3[C@H]2CCCCO2)cc1 1684033 OCKAZLMFYPPBPL-CQSZACIVSA-N 360.870 4.471 0 40 FIAB in-vitro Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)nc1 2493292 QNRCNEAOECEELN-HXUWFJFHSA-N 368.392 4.246 0 40 FIAB Cc1nn(C)cc1-c1cc(C(F)F)c2c(C)nn(-c3ccccc3)c2n1 2733770 ZXQWNVYOILMMLT-UHFFFAOYSA-N 353.376 4.375 0 40 FIAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1COc2ccccc2O1 3188341 PAOAJIZLZJISTJ-VGSWGCGISA-N 373.452 4.163 0 40 FIAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc2ccccc2cc1O 3262137 YIWXCLIQHQTQPW-UHFFFAOYSA-N 363.413 4.464 0 40 FIAB CCOc1cc([C@H](O)c2nnc(-c3ccccc3)o2)ccc1OCC(C)C 3329679 VVTPFFISODTTIQ-IBGZPJMESA-N 368.433 4.252 0 40 FIAB Oc1nc(SCc2ccccc2F)nc2c1cnn2-c1ccc(F)cc1 3665073 MCZCHUMRYIVQLS-UHFFFAOYSA-N 370.384 4.092 0 40 FIAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)NCc1ccco1 4849418 HMMCRLXDNWTLCY-UHFFFAOYSA-N 354.475 4.416 0 40 FIAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccoc1C 5364821 KSJYLAQZEYQBBK-LBPRGKRZSA-N 374.441 4.125 0 40 FIAB CCc1nnc(S/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)O)o1 7365604 YEMFIHJPOZJTDV-DHDCSXOGSA-N 357.435 4.385 0 40 FIAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 7398668 DPLUQFKBAZFQBU-IBGZPJMESA-N 362.473 4.007 0 40 FIAB Cc1ccc(/C=C/C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)o1 7781260 XBKTZAZUHALFIN-ZQAUEJBPSA-N 355.434 4.276 0 40 FIAB COc1cc(/C=C/C(=O)OCc2ccc(F)cc2)cc(Cl)c1OC 7981905 ZQABIDMVLUHQKG-VMPITWQZSA-N 350.773 4.253 0 40 FIAB COc1ccc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cc1OC 8111268 WIVWGAZQDUQAPG-UHFFFAOYSA-N 365.429 4.213 0 40 FIAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8157313 ARKKWDIBXINKIK-INIZCTEOSA-N 369.486 4.375 0 40 FIAB O=C(c1cc2cc(Cl)ccc2o1)N1CCN(c2ccc(F)cc2)CC1 8165853 YCIFZUWJYWMIKU-UHFFFAOYSA-N 358.800 4.188 0 40 FIAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 8207291 ATYJMLZTYNCVNK-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1F 8289052 NYBXTLXCKFUOLA-RMKNXTFCSA-N 350.187 4.249 0 40 FIAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1F 8575450 KJAAJYJADIDRSK-UHFFFAOYSA-N 352.409 4.028 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8722862 VTXKGPCRPJIMJW-WOJBJXKFSA-N 369.461 4.349 0 40 FIAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@@H](C)c2ccccc2C)c1C 9218317 VBERIVLYKLJVOF-HOCLYGCPSA-N 356.466 4.039 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900147 WEXHQOZMWAHOST-ZDUSSCGKSA-N 354.837 4.174 0 40 FIAB COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)ccc1C 10105416 WGFGNHRTMMRGAO-UHFFFAOYSA-N 358.488 4.427 0 40 FIAB O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NC1=NCCS1 11002417 VYUYCSRMAVIMAT-UHFFFAOYSA-N 367.449 4.126 0 40 FIAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 11887912 FAMMJLSSKHNSJS-LEWJYISDSA-N 357.409 4.252 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)cc1 11916739 SXSVOBWFJGNXHV-UHFFFAOYSA-N 357.410 4.384 0 40 FIAB CSCc1csc(NC(=O)COc2ccc(Cl)cc2Cl)n1 12230143 MGTSHEZSZCEOKY-UHFFFAOYSA-N 363.291 4.330 0 40 FIAB CC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c1 13000814 LVLZEFKTOKCRQC-UHFFFAOYSA-N 352.415 4.030 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(C(F)(F)F)cc2)c1 13141630 HNXRUOJZORGNAU-XCVCLJGOSA-N 352.308 4.341 0 40 FIAB CC[C@H](C)[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 14226251 UYJAPWGSCOBTLR-FTRWYGJKSA-N 373.518 4.097 0 40 FIAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc3oc(C)nc3c2)cc1 15543011 DECBBUZUMSWHJL-UHFFFAOYSA-N 352.390 4.137 0 40 FIAB Cc1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cn1 15961447 LSSZIEFGUBLTFU-UHFFFAOYSA-N 364.371 4.046 0 40 FIAB CCC(CC)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 19819145 HSEILMNPQDORLM-UHFFFAOYSA-N 351.450 4.049 0 40 FIAB COc1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20108438 AWGPQRREPQWDPT-UHFFFAOYSA-N 372.468 4.188 0 40 FIAB C[C@H]1CCc2onc(C(=O)Nc3c(F)cc(F)cc3Br)c2C1 20572100 XYKZBHSZVBBPBC-ZETCQYMHSA-N 371.181 4.092 0 40 FIAB Cc1cccc(CSCC(=O)NCc2ccccc2CN2CCCC2)c1 24189315 JCVFSQMRVWSPCE-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(Br)ccc2[nH]1 24842297 GOTIAXAILKYETI-UHFFFAOYSA-N 355.195 4.059 0 40 FIAB CCc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27605231 ZXRGKYNLZVYHQH-LJQANCHMSA-N 356.535 4.196 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n(-c2ccc(F)cc2)n1 28577164 JHKLXZJOFBNJFT-UHFFFAOYSA-N 373.453 4.244 0 40 FIAB COc1ccc2nc(C)c(C(=O)Nc3ccc(OC)c(Cl)c3)cc2c1 29690171 SCIUJROMJCOULX-UHFFFAOYSA-N 356.809 4.466 0 40 FIAB Cc1ccc2c(CC(=O)NCc3ccc(NC(=O)C(C)C)cc3)coc2c1 32899061 QLXWHDSYRDXNCN-UHFFFAOYSA-N 364.445 4.195 0 40 FIAB CCOC(=O)c1csc(NC(=O)c2ccccc2Cc2ccccc2)n1 32971031 CJACXZGWBMTNMA-UHFFFAOYSA-N 366.442 4.163 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 33097147 BWGXQVVOFFZGTJ-BLLLJJGKSA-N 367.276 4.279 0 40 FIAB Cc1ccc2c(CC(=O)N3CCN(c4cccc(C)c4C)CC3)coc2c1 33784570 HQXIMYWVUPSFLN-UHFFFAOYSA-N 362.473 4.249 0 40 FIAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 39750065 PMKRWVFGUXGPHX-SFHVURJKSA-N 366.505 4.093 0 40 FIAB CC(=O)c1cn(CCC(=O)N[C@H](C)CCc2ccccc2)c2ccccc12 40310122 AUMXCTYRLVKANN-QGZVFWFLSA-N 362.473 4.372 0 40 FIAB biogenic CC(=O)c1cccc(NC(=O)C[C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 40644219 KFBBNHCMIUUZBL-IBGZPJMESA-N 365.429 4.183 0 40 FIAB CC(C)NC(=O)Nc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1 44502832 ZYBIDYOSFMZDSW-HNNXBMFYSA-N 371.506 4.477 0 40 FIAB Cc1noc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)c1C 44891040 DYBZMSIVJYHZNP-UHFFFAOYSA-N 368.867 4.474 0 40 FIAB Clc1ccc(OCCn2cc(-c3cnn(-c4ccccc4)c3)cn2)cc1 49581197 NMMGGNIIMDTJKL-UHFFFAOYSA-N 364.836 4.468 0 40 FIAB COc1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1Br 56184556 LRTOSHABMRXTRH-NSHDSACASA-N 364.239 4.417 0 40 FIAB C[C@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C1 57742103 NJGNECZXRLDMAM-HNNXBMFYSA-N 374.444 4.171 0 40 FIAB COC(=O)[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1cccs1 62581284 XPTDSCUIGBCPMU-ZPHJMFTNSA-N 357.475 4.089 0 40 FIAB CC(C)(C)SCCNC(=O)c1cc(Br)ccc1Cl 66739154 BJGFMGYJPRWVHW-UHFFFAOYSA-N 350.709 4.364 0 40 FIAB Cc1nn2c(NCc3ccncc3)c3c(nc2c1-c1cccs1)CCC3 72341770 INMVFBHJDQQEKV-UHFFFAOYSA-N 361.474 4.262 0 40 FIAB COCc1cc(C)nc2sc(C(=O)c3cn(C)c4ccccc34)c(N)c12 78546442 JRQRSJNLMNLANS-UHFFFAOYSA-N 365.458 4.056 0 40 FIAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)C1=C(Cl)CCCC1 79051287 NQJPMCNZPIBKEH-UHFFFAOYSA-N 355.869 4.044 0 40 FIAB C[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 84697707 AJUSCAQPGDERPQ-DNVCBOLYSA-N 370.880 4.212 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCCCn1ccnc1-c1ccccc1 85555095 NQJODPWJMUVBNG-UHFFFAOYSA-N 369.852 4.032 0 40 FIAB CC(C)Oc1ccc(CNC(=O)N(C)CCc2cccs2)cc1F 95404593 XWTDIRPUKKGDFI-UHFFFAOYSA-N 350.459 4.059 0 40 FIAB CC[C@H](NC(=O)c1ccc(OC(C)C)cc1)c1ccc(OC)c(OC)c1 218985446 ZRNXNVDUUFIURO-SFHVURJKSA-N 357.450 4.372 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)N[C@H](C)COc2ccccc2C)ccc1Cl 222854601 SEJVETVBHPCXSS-CVEARBPZSA-N 361.869 4.308 0 40 FIAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 223330981 GFDAJKZTJBSVNQ-JKSUJKDBSA-N 355.488 4.217 0 40 FIAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc2O1 223661529 BURACXGAQVQXDT-UHFFFAOYSA-N 369.845 4.384 0 40 FIAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)[nH]1 224390225 VRLDSBNZBUNBAL-OALUTQOASA-N 366.465 4.343 0 40 FIAB CCCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC1CCCCC1 225066001 UUJLZFFKYWXKOB-FQEVSTJZSA-N 358.526 4.351 0 40 FIAB CCOc1cccc(NC(=S)NCCOc2ccccc2Cl)c1 225780334 NFBCAPGDAIVASL-UHFFFAOYSA-N 350.871 4.104 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccccc2Cl)no1 225812336 FFWLGFUAZVRMBV-CYBMUJFWSA-N 367.836 4.300 0 40 FIAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NC1CCCC1 225830716 QZMOYUKJWWXQBF-UHFFFAOYSA-N 361.445 4.395 0 40 FIAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)c1cccc(C)c1 226356109 UFHBCXPFQPWIOM-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB Cc1cc(C)c2c(O)c([C@@H](CC(=O)O)c3ccccc3)c(=O)oc2c1C 226761885 CZVZISQBYDQXEH-HNNXBMFYSA-N 352.386 4.030 0 40 FIAB CN1CCCCC[C@@H]2N(C(=O)C3CCOCC3)[C@H](c3ccccc3)C[C@@]21C 257209243 BPOOJAFCVBRMCB-FUDKSRODSA-N 370.537 4.020 0 40 FIAB COC(C)(C)C(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257210153 BTKUOBNJFJMMDZ-MRXNPFEDSA-N 362.857 4.007 0 40 FIAB Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)cn1 332842948 ORHDKCVZDRNTLK-VQTJNVASSA-N 368.456 4.042 0 40 FIAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 408721702 LHNCRATXMRXVPH-UHFFFAOYSA-N 372.465 4.474 0 40 FIAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409246117 FFEVKRXKOOJQFH-UOEVCUDDSA-N 364.445 4.265 0 40 FIAB COC(=O)c1ccc2nc(NC(=O)[C@H](CC(C)C)n3cccc3)sc2c1 575443178 KHGSTCYMBPOUGG-HNNXBMFYSA-N 371.462 4.110 0 40 FIAB COc1ccc(NC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)cc1 575443321 YUYZRZBRSVZACG-QGZVFWFLSA-N 370.478 4.187 0 40 FIAB CC(=O)N(C)c1cccc(NC(=O)NC2(c3c(F)cccc3F)CCC2)c1 626417759 GYPQBRZJALQWRS-UHFFFAOYSA-N 373.403 4.148 0 40 FIAB O=C(N[C@H](Cn1ccnc1)c1ccccc1)c1cc2ccc(Cl)cc2[nH]1 1633156092 UBMWLEZNLSEVOZ-LJQANCHMSA-N 364.836 4.189 0 40 FIAB COC(=O)c1c2c(cc3c1C[C@]1(Cc4ccc(C(C)=O)cc4C1)C3)CCC2 1646193 ZIWLRBCUVCIAMM-DEOSSOPVSA-N 360.453 4.048 0 40 FIAB CC1(C)C[C@H](N(Cc2ccc3c(c2)OCO3)C(=O)c2cccs2)CCO1 2256356 IXKOMIFCQVROEI-OAHLLOKOSA-N 373.474 4.077 0 40 FIAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCc3ccccc32)c1 2468162 PZGRXFODCUXMFX-UHFFFAOYSA-N 363.486 4.171 0 40 FIAB O=C(c1ccc(C(F)(F)F)cc1)c1cccc(CN2CCSCC2)c1 2515301 DIHAJWJPAKFISY-UHFFFAOYSA-N 365.420 4.485 0 40 FIAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCSc1ccc(Cl)cc1 3300926 TYIFESDQRILXKE-KBPBESRZSA-N 369.914 4.155 0 40 FIAB O=C(N1CCN=C1SCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 4120501 SRNULXPKWZCTLI-UHFFFAOYSA-N 372.509 4.474 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 4700367 SUHLNUCJAAQWEM-RBUKOAKNSA-N 353.418 4.095 0 40 FIAB CCOc1cccc(C(=O)NC(=S)Nc2cc([C@H](C)CC)ccc2O)c1 4703843 OYRYXEDUHUCHFT-CYBMUJFWSA-N 372.490 4.431 0 40 FIAB O=C(NC[C@H](c1ccccc1)N1CCC(c2ccccc2)=N1)c1ccccc1 4770901 NOZKVLWITRUUKR-HSZRJFAPSA-N 369.468 4.268 0 40 FIAB O=C(Cn1sc2cc(F)ccc2c1=O)Nc1cc(Cl)ccc1Cl 4771629 XMBGCHIKVLWGRP-UHFFFAOYSA-N 371.220 4.148 0 40 FIAB COC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 5879450 NGUADWCBHGLFSD-UHFFFAOYSA-N 362.760 4.081 0 40 FIAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C)o1 6206362 GNRHLTBQUVEAFB-UHFFFAOYSA-N 359.378 4.495 0 40 FIAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cccc(Cl)c1 6257795 UMZVPLQPEVYSQD-UHFFFAOYSA-N 356.834 4.326 0 40 FIAB Cc1cc(C)c(OCC(=O)OCC(=O)c2cc3ccccc3o2)c(C)c1 6552022 AYNWTDPXQKTQPX-UHFFFAOYSA-N 352.386 4.163 0 40 FIAB CCc1nc2ccccc2n1CC(=O)Nc1ccc2nc(C)sc2c1 6590590 ZUMCEAYVCHRGLI-UHFFFAOYSA-N 350.447 4.156 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)S[C@H](C)C(=O)N2 6678966 XUFKYBCXCJSITN-MLGOLLRUSA-N 355.488 4.405 0 40 FIAB CCCc1nnc(S/C(=C\c2ccc(OCC)c(Cl)c2)C(=O)O)[nH]1 7342298 UPUGGSBPGCNLOA-LCYFTJDESA-N 367.858 4.027 0 40 FIAB COc1cccc(CNC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 7802597 MYRNBSUJFDQXMH-UHFFFAOYSA-N 365.429 4.015 0 40 FIAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1n[nH]c2ccccc12 10552834 ITWZJUTUCSLPEH-UHFFFAOYSA-N 360.442 4.427 0 40 FIAB O=C1S[C@@H](Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1 12112980 SPNBGMKYTXMBHF-CYBMUJFWSA-N 370.327 4.483 0 40 FIAB Cc1cc(C)c2[nH]c(C(=O)N[C@H](c3ccccc3)c3ccnn3C)c(C)c2c1 12193993 WNLKPPWWGVEWPK-JOCHJYFZSA-N 372.472 4.346 0 40 FIAB CCOc1ccc2cc3c(nc2c1)OC(=O)N(Cc1ccc(F)cc1)C3 12222211 FMSCMJSIABCHIO-UHFFFAOYSA-N 352.365 4.287 0 40 FIAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)C2CCCCC2)CC1 12231048 MXLIWFUEPXJFIS-UHFFFAOYSA-N 355.457 4.242 0 40 FIAB Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 12441749 UXYQHVJIFWYOCR-UHFFFAOYSA-N 374.469 4.485 0 40 FIAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCc3ccccc3)c12 12770988 MAHYVBHNHDALTJ-UHFFFAOYSA-N 361.376 4.267 0 40 FIAB CC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 12783720 WFALIYPYDIGGGK-UHFFFAOYSA-N 367.106 4.145 0 40 FIAB Cc1occc1-c1nnc2sc(-c3ccc(Cl)nc3Cl)nn12 13688511 MNQAUMOIDTXKJE-UHFFFAOYSA-N 352.206 4.123 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 13956951 BAXJEDBFSGFTCX-UHFFFAOYSA-N 355.854 4.239 0 40 FIAB O=C(CCCc1cccs1)Nc1cc(Cl)ccc1N1CCOCC1 14707672 GFICOOHBWZOHPQ-UHFFFAOYSA-N 364.898 4.200 0 40 FIAB Cc1csc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)n1 16469861 JZGXGNDRWJJOAS-UHFFFAOYSA-N 354.460 4.009 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19081104 IVSWGTYVQFSIOV-UHFFFAOYSA-N 364.449 4.037 0 40 FIAB COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccncc2)cc1OC 19561442 AINVUQRLJAEZAP-UDKICSLYSA-N 352.478 4.161 0 40 FIAB COc1ccc2nc(SCC(=O)O[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)[nH]c2c1 20807804 APCIDJUGXVOSGS-BXJCWQANSA-N 374.506 4.422 0 40 FIAB CC(C)[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)c1cccs1 21494744 BCVLGHQEKDKWHT-GOSISDBHSA-N 355.463 4.244 0 40 FIAB C[C@@H](NCCN(C)C)[C@@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]21C 22586825 OQLPSYJNZRYLOQ-LNIKZYEWSA-N 370.581 4.404 0 40 FIAB in-vitro Cc1[nH]c2ccc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc2c1C 23383365 HYERAELDFWJWQH-JOCHJYFZSA-N 362.473 4.371 0 40 FIAB Cc1ccc(NC(=O)C2(N3CCOCC3)CCC(C(C)(C)C)CC2)cc1 23477909 AJUCKQYGIMZEGC-UHFFFAOYSA-N 358.526 4.241 0 40 FIAB CN(Cc1nc2c(oc3ccccc32)c(=O)[nH]1)Cc1ccc(Cl)s1 23706623 OMZHVROTLTXFBJ-UHFFFAOYSA-N 359.838 4.016 0 40 FIAB COc1ccc(CSCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 24605888 WYSICVHWGYNZSP-UHFFFAOYSA-N 351.855 4.229 0 40 FIAB COc1ccc([C@H](CNC(=O)c2cccs2)N2CCCCCC2)cc1 27583067 WROQKXBJICAENS-SFHVURJKSA-N 358.507 4.104 0 40 FIAB COc1cccc(OCc2ccc(C(=O)NCc3ccccc3Cl)o2)c1 27935639 WACPNWSUYMQYOD-UHFFFAOYSA-N 371.820 4.451 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)CCSc2nc3ccccc3s2)c1 29867337 OCAPJJQKJSWAMN-UHFFFAOYSA-N 363.529 4.479 0 40 FIAB CCC(=O)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 32608388 FDDXYDJFOMZELU-OAHLLOKOSA-N 371.824 4.066 0 40 FIAB C[C@H](NC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 32794937 OVRDQXQSSHECMB-LSDHHAIUSA-N 351.450 4.157 0 40 FIAB CNC(=O)c1ccc(NC(=O)CS[C@H](C)c2ccccc2Cl)cc1 32907795 SQYNOPVKLCKVBM-GFCCVEGCSA-N 362.882 4.133 0 40 FIAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(F)c1 35685027 JOGIEBVGDYFMQH-MRXNPFEDSA-N 364.380 4.169 0 40 FIAB O=C(C[C@@H]1Oc2ccccc2N=C1O)Nc1cc(Cl)ccc1Cl 40266241 AONABONJWDGSNJ-AWEZNQCLSA-N 351.189 4.371 0 40 FIAB CCc1noc([C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)n1 42651252 FULXWXBIZFDMMT-LBPRGKRZSA-N 355.467 4.003 0 40 FIAB COc1ccccc1CCNC(=O)Nc1ccc(SC(F)F)cc1 48314707 AXNPETOCJVTQBC-UHFFFAOYSA-N 352.406 4.374 0 40 FIAB Cc1noc(C)c1[C@H]1CC(O)=Nc2c1cnn2Cc1ccccc1Cl 49548489 RZRZHTSFAINDQJ-ZDUSSCGKSA-N 356.813 4.313 0 40 FIAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cnc2ccccc2c1 55455649 UBODZAHKJGCZTQ-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB CNC(=O)c1cc(NC(=O)c2cc3cc(Cl)ccc3o2)ccc1Cl 58201768 JOULPGDVVYFWBZ-UHFFFAOYSA-N 363.200 4.352 0 40 FIAB COc1ccc(CNCc2c[nH]nc2-c2cc3ccccc3o2)cc1OC 58223182 MUWFSRJBERRIKS-UHFFFAOYSA-N 363.417 4.130 0 40 FIAB Cc1cccc(-c2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)c1 67246235 HGDXPHVCOYACMX-UHFFFAOYSA-N 352.781 4.339 0 40 FIAB CC(C)Oc1ccc([C@H](C)NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 69531707 PCSLKGDIYDNMGO-KRWDZBQOSA-N 363.461 4.210 0 40 FIAB CCOc1c(F)cccc1C(=O)N(CC)c1nnc(C)c2ccccc12 95452384 NQYLFAVNEPPJCV-UHFFFAOYSA-N 353.397 4.143 0 40 FIAB CCc1ccc2c(COC(=O)C(C)(C)N(C)C3CCCC3)cc(=O)oc2c1 95466530 FLYUHLSZRZBBPG-UHFFFAOYSA-N 371.477 4.052 0 40 FIAB CCOC(=O)n1nc(C)c2c1N=C(O)CS[C@H]2c1ccc(Cl)cc1 95472945 BQTYACDJSYIAES-AWEZNQCLSA-N 365.842 4.274 0 40 FIAB O=C(N[C@@H]1CCCc2c1[nH]c1ccc(F)cc21)c1n[nH]c2c1CCCCC2 96223615 DGABMHMQRSKYPK-GOSISDBHSA-N 366.440 4.106 0 40 FIAB CSc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(O)CC(C)(C)CC1=N2 102661407 UYVCFGHHYPMLSM-OAHLLOKOSA-N 358.442 4.447 0 40 FIAB CNCC1CCN(C(=O)c2ccc(SCc3ccccc3)cc2)CC1 152300644 MARNXMOBWNVKDX-UHFFFAOYSA-N 354.519 4.051 0 40 FIAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 219520259 MZYPLUHSARQFCE-APWZRJJASA-N 371.477 4.355 0 40 FIAB CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(Cl)cc1 219557383 VMKCALZEJUELBG-KRWDZBQOSA-N 361.869 4.255 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1cccc(C)c1C 223945858 XEAMBHXUGJNREF-IBGZPJMESA-N 355.478 4.273 0 40 FIAB CC(C)CC1(CC(C)C)NC(=S)N(c2ccc(Br)cc2)N1 225349544 HSKQHSFBUDLGLB-UHFFFAOYSA-N 370.360 4.437 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 225577841 RHDLKNLIGPJZOZ-MRXNPFEDSA-N 370.474 4.062 0 40 FIAB COc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 225681404 HSMYTAKRMPRMAP-KRWDZBQOSA-N 372.490 4.293 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2CCC[C@@H](C)C2)c(C)cc1N 226331646 HVOYCYWTZOHQJS-CQSZACIVSA-N 353.466 4.074 0 40 FIAB CCOC(=O)c1cc(Cl)c(-c2cc3ccccc3oc2=O)cc1OC 226357395 NORPQXNNTXTNBL-UHFFFAOYSA-N 358.777 4.299 0 40 FIAB CCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)ccc4F)OCC[C@@]31C2 257274361 NKRKSGVUXZEPKR-COGQAXKNSA-N 363.448 4.373 0 40 FIAB O=C(c1ccncc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442851 GKYYXJJTRVIKBR-UHFFFAOYSA-N 355.401 4.454 0 40 FIAB CC(C)(C)c1noc(CCC(=O)N2CCCCc3c(Cl)cccc32)n1 680405810 IAWHLSYSQGPROH-UHFFFAOYSA-N 361.873 4.323 0 40 FIAB CCc1c[nH]c2ncnc(NC[C@@H](Cc3ccccc3)c3ccccn3)c12 1655956108 YZDIKRDORDGDMP-GOSISDBHSA-N 357.461 4.354 0 40 FIAB COc1cccc(-c2noc(C3CCN(Cc4ccc(C)cc4)CC3)n2)c1 1889296368 UEXZMZLOKNBXQK-UHFFFAOYSA-N 363.461 4.433 0 40 FIAB O=C(N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccccc1 1230943 ULLNTFLEEKYKQT-AWEZNQCLSA-N 361.631 4.364 0 40 FIAB CCCCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC)cc1 2219024 JICHPKXETUUZOA-UHFFFAOYSA-N 364.445 4.295 0 40 FIAB Brc1ccc(C2=C[C@@H](c3cccs3)N3NN=NC3=N2)cc1 2366852 ADQUTZQMBNGMSZ-LBPRGKRZSA-N 360.240 4.150 0 40 FIAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1Nc1ccccc1 3246982 NMPLWSCAPHMVNL-UHFFFAOYSA-N 372.424 4.176 0 40 FIAB O=C(NC(=S)NC(c1ccccc1)c1ccccc1)c1ccc(F)cc1 3257287 REULPNRPAHWKHN-UHFFFAOYSA-N 364.445 4.220 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1OC 3907701 YNUHRQZDYKKFGA-UHFFFAOYSA-N 358.781 4.265 0 40 FIAB C[C@H](c1nnc(SCc2ccccc2F)n1-c1ccc(F)cc1)N(C)C 4500423 HEYAGTNSLAWNEV-CYBMUJFWSA-N 374.460 4.460 0 40 FIAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2ccccc21 4505690 QTYWPNVLYSBLAC-UHFFFAOYSA-N 370.836 4.372 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)CN1CCCCC1 4900324 YNUQPGKCYNHIBB-LSBAASHUSA-N 369.549 4.465 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 6052319 JNXOMOTUJCSTEV-JXFKEZNVSA-N 367.445 4.331 0 40 FIAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1 6219291 ZDYQINDXPNAOKX-UHFFFAOYSA-N 363.414 4.361 0 40 FIAB in-vitro CC(=O)c1cccc(NCC(=O)Nc2ccc(C)cc2Br)c1 6249785 OTQPKQALTWFTNR-UHFFFAOYSA-N 361.239 4.011 0 40 FIAB CCCCn1c(SCC(=O)NC2CC2)nc2cc(C(F)(F)F)ccc21 7319964 IIOITYGVMRSRON-UHFFFAOYSA-N 371.428 4.226 0 40 FIAB CCCCOc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 7659190 XAXUAANVBAWQRU-UHFFFAOYSA-N 366.461 4.354 0 40 FIAB COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)o2)c1 7735611 BRTHLCAYCGCHGC-GFCCVEGCSA-N 370.430 4.117 0 40 FIAB Cc1ccccc1NC(=O)CCCNC(=O)C12CC3CC(CC(C3)C1)C2 8266843 NCTQOJOJPSKIDV-UHFFFAOYSA-N 354.494 4.046 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 8728740 BYSSTWSFIYSBSJ-UHFFFAOYSA-N 350.462 4.359 0 40 FIAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1c(F)cccc1F 8863013 SCMPRDBZWJYSRR-KRWDZBQOSA-N 364.461 4.373 0 40 FIAB COc1ccc(CNC(=O)N[C@H](c2ccc(F)cc2)C(C)C)cc1OC 9710812 MYCBBSNEUMSVNS-IBGZPJMESA-N 360.429 4.039 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1 9952274 FGAUYBNMJOQYAF-MRXNPFEDSA-N 357.475 4.231 0 40 FIAB COc1ccccc1-c1noc(CNc2ccc(Br)cc2C)n1 10173892 HODXJGALFMEUPT-UHFFFAOYSA-N 374.238 4.428 0 40 FIAB O=C(CCc1ncc(-c2ccccc2F)o1)NCc1cccc(Cl)c1 11376183 NOERGCORVSYAOG-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB Cc1nn([C@H](C)CC(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)c1C 12148246 CLTZLUQOHRSHHK-IVZQSRNASA-N 362.477 4.060 0 40 FIAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3c(C)noc3C)[nH]c2cc1C 12157746 FSPVGWTZOPMAIN-QGZVFWFLSA-N 352.438 4.152 0 40 FIAB c1ccc(CSC2=Nc3c(cnn3-c3ccccc3)C3=NCCCN23)cc1 12391076 XYZFOSNOLUUOSM-UHFFFAOYSA-N 373.485 4.259 0 40 FIAB COc1ccc(-n2nc(C)c3c(C(=O)O)cc(-c4ccccc4)nc32)cc1 12395962 IUCQGJWOHFYULR-UHFFFAOYSA-N 359.385 4.103 0 40 FIAB CCCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)Nc1cc(C)on1 12522334 VBJRZHQSLMUFKR-LLVKDONJSA-N 371.359 4.230 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1COc2ccc(Cl)cc2C1 12624307 DPEGTCZLKFNWTC-ZDUSSCGKSA-N 369.770 4.226 0 40 FIAB CC(C)(C)C1CCC(C(=O)NCc2ccc(Cn3cccn3)cc2)CC1 12626110 VNPUCNBLUZIYQU-UHFFFAOYSA-N 353.510 4.400 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CC[C@H]2CCCC[C@@H]2C1 12770826 FRQSUNCSAMGREV-RTBURBONSA-N 374.488 4.132 0 40 FIAB O=C(CCSC/C=C/c1ccccc1)Nc1ccc2c(c1)OCCO2 12949452 KYRXKDWOHHBPBK-QPJJXVBHSA-N 355.459 4.233 0 40 FIAB C[C@H](NC(=O)N[C@@H](C)c1cccc(F)c1)c1ccc(NC(=O)C2CC2)cc1 12972661 MBDGSDMBWMUZKF-KBPBESRZSA-N 369.440 4.296 0 40 FIAB COc1ccc(OC)c(CCC(=O)Nc2ccc(Cl)c3ncccc23)c1 13015012 QYCAGLFPBUFUEX-UHFFFAOYSA-N 370.836 4.477 0 40 FIAB COc1cc2cc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)[nH]c2cc1OC 13556277 IJSLLKFRKCTFMH-SPLOXXLWSA-N 356.466 4.226 0 40 FIAB Oc1ccccc1-c1cc(-c2ccccc2)nc2nc(C(F)(F)F)nn12 13637472 CMQHEAJBRCNVSO-UHFFFAOYSA-N 356.307 4.183 0 40 FIAB COc1ccccc1CN(Cc1ccncc1)C1CC(C)(C)NC(C)(C)C1 13992609 HKCKOBPKIVFNES-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB CCc1ccc(-c2csc(NC(=O)c3cc(C(C)=O)cn3C)n2)cc1 14139095 VNQSESMANQULLD-UHFFFAOYSA-N 353.447 4.166 0 40 FIAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccn(C)n2)cc1 16261577 VNHVDGVPSUZDIT-UHFFFAOYSA-N 374.444 4.148 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C1 17072684 MIXUKRDYIKOGCP-AWEZNQCLSA-N 350.393 4.241 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 20900074 ITODSLHPXLLJDB-UHFFFAOYSA-N 371.396 4.421 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(CN2CCCC2=O)c1 21586860 MNRNMXFOHSUAFB-UHFFFAOYSA-N 363.244 4.368 0 40 FIAB CC(=O)NC(=S)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl 21596459 MKTGEVKQVIVIIC-UHFFFAOYSA-N 359.838 4.290 0 40 FIAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1Cl 21834136 NKGJIFLQMVHJNK-UHFFFAOYSA-N 373.865 4.039 0 40 FIAB O=C(NC1CC1)c1cc(SC[C@H]2CC2(Cl)Cl)nc2ccccc12 23492642 VDPWBKLMSLVSMG-SNVBAGLBSA-N 367.301 4.413 0 40 FIAB CN(C)[C@H](CNC(=O)/C=C/c1cccc2ccccc12)c1ccsc1 25814498 WCFLZWKQTZPMDR-CTDFXDFQSA-N 350.487 4.334 0 40 FIAB CN(C(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCc2ccccc21 27822254 KCJRMXUGBZUHPU-AHKGRUIUSA-N 369.848 4.270 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1c2ccccc2C[C@H]1C 27977285 YWDJNIRCRUWOPN-MRXNPFEDSA-N 359.473 4.400 0 40 FIAB O=C(CCCc1nc(-c2cccs2)no1)Nc1nc2ccccc2s1 31664757 JUTWEEIBHRAAAX-UHFFFAOYSA-N 370.459 4.369 0 40 FIAB CCc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1 32721285 IPEAZZLYNKBUBT-FCSDKFEESA-N 354.538 4.184 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)c3c(C)noc3n2)cc1 36614249 YPAWSOWWFLPQLB-ZDUSSCGKSA-N 365.433 4.221 0 40 FIAB Cc1ccc(Sc2ccc(NC(=O)CNC(=O)[C@H]3C[C@H]3C)cc2)cc1C 36754821 XIHBNVBXBLVSNP-BEFAXECRSA-N 368.502 4.165 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N[C@@H](C)c1ccccc1F 40130371 UPKCKNRTZOBIAF-ZDUSSCGKSA-N 369.415 4.187 0 40 FIAB O=C(CCCc1ccccc1)Nc1cc(N2CCCC2=O)ccc1Cl 40133881 WNAMZCXTHVQKFL-UHFFFAOYSA-N 356.853 4.428 0 40 FIAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 40817739 WRPZCRDUAYTQQH-HXUWFJFHSA-N 363.461 4.258 0 40 FIAB Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 42161105 ONHCBYQLJPXAML-CYBMUJFWSA-N 352.459 4.021 0 40 FIAB COc1ccc(Cl)cc1C(=O)NCc1cccc(Br)c1 42353360 RUIFXWFNJPQYGN-UHFFFAOYSA-N 354.631 4.041 0 40 FIAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 44934101 QOEGIPJGEUPJSC-YJBOKZPZSA-N 358.432 4.054 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 56851814 FUJRHYVIMWWOQB-CHWSQXEVSA-N 366.383 4.392 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c(OC)cc1Cl 64982493 ZZZIYEGVCRTJLM-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)c1 64985007 MCCGPJDRJTWJRQ-JTQLQIEISA-N 368.202 4.003 0 40 FIAB Cc1ccc(NC(=O)CN(CC(C)C)CC(C)C)c(Br)c1 71927918 UUNJTRYEVYSGCP-UHFFFAOYSA-N 355.320 4.310 0 40 FIAB O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(N2CCCC2)nc1 72215918 IUHWCVGVPGAVRF-IBGZPJMESA-N 351.450 4.156 0 40 FIAB Cc1nc(N2CCCc3ccccc32)ccc1CNC(=O)OC(C)(C)C 72224955 VSIOWAKDSRXXKS-UHFFFAOYSA-N 353.466 4.499 0 40 FIAB O=C(Cn1ccc2ccc(Cl)cc21)N1CCc2[nH]c3ccccc3c2C1 72324425 YDDPEYNZQCWVRZ-UHFFFAOYSA-N 363.848 4.361 0 40 FIAB biogenic Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 72349972 VCBQYTBLPPVWGT-OAQYLSRUSA-N 360.505 4.094 0 40 FIAB FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4cccnc4)C3)n2)c1 72369960 ATNIBGSMFCLVLI-HNNXBMFYSA-N 374.366 4.140 0 40 FIAB CC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2ccc[nH]c2=O)S1 79487011 GFXGJXUSUHULAD-MRXNPFEDSA-N 370.865 4.159 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1nc(C(C)(C)C)cs1 84284716 QTSGQVVNBIHTCK-UHFFFAOYSA-N 351.903 4.165 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccccc2Br)C1 89212626 JHAGYPYDBWNGCY-GFCCVEGCSA-N 355.276 4.261 0 40 FIAB CN1C(=O)c2cc(NC(=O)CC3CCCC3)ccc2Sc2ncccc21 96231471 PHHJXLMGJNOUJS-UHFFFAOYSA-N 367.474 4.342 0 40 FIAB Cc1cc(C)n(C[C@@H](C)C(=O)N2[C@@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)n1 100166814 HFTQNSKJEYXYGC-XMDBHEJHSA-N 369.484 4.212 0 40 FIAB O=C(C[C@@H]1OCCc2ccsc21)n1cccc/c1=N\C1CCCCC1 100807690 OKOHTBXUZDBQMF-SPGGGKMGSA-N 356.491 4.127 0 40 FIAB CSc1cccc(N(C)C(=O)c2nnn(-c3cccc(Cl)c3)c2C)c1 101832103 KGTYBJYGDFLLKN-UHFFFAOYSA-N 372.881 4.228 0 40 FIAB C[C@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@@H]3[C@H]1CC[C@@H]2O 105154821 WSJCDIBESNMSPH-WRGOGVGNSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1OC)c1ccc(OC)cc1 113960779 WQYNQAGGRDUITI-ZWKOTPCHSA-N 357.450 4.129 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(C)c1 219530356 HYYXCAYUJHXDMY-WMZOPIPTSA-N 353.462 4.489 0 40 FIAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 224285541 ROGDXGOSDHXCMK-KRWDZBQOSA-N 363.457 4.365 0 40 FIAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)c(Cl)c2)cc1 224693102 USFYPSVLKPPOSG-UHFFFAOYSA-N 374.687 4.236 0 40 FIAB COc1cccc(OC)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 225995600 INWBVMOYHBETQP-UHFFFAOYSA-N 367.489 4.118 0 40 FIAB c1ccc(Nc2cc([C@@H]3CCCN(Cc4cscn4)C3)ccn2)nc1 257222318 DSVFIGXYDRPTOA-MRXNPFEDSA-N 351.479 4.056 0 40 FIAB CC(C)c1cc(C(=O)N2CC=C(c3ccnn3C)CC2)c(O)c(C(C)C)c1 329145812 AHLNKGLITHJDSO-UHFFFAOYSA-N 367.493 4.302 0 40 FIAB Cc1ccc(-c2nnc(CN(C)C(=O)/C=C/c3ccccc3Cl)o2)cc1 408713947 DMHRHGSBZVJUCW-VAWYXSNFSA-N 367.836 4.370 0 40 FIAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2noc3c2CCCC3)o1 518597652 BRJWCIZPRYHTQE-DYVFJYSZSA-N 357.454 4.138 0 40 FIAB Cc1cc(C)n([C@H](CNC(=O)Nc2ccccc2Cl)c2ccco2)n1 585370581 QPXOGCDECNBMKK-MRXNPFEDSA-N 358.829 4.157 0 40 FIAB FC(F)(F)c1ccc(Cl)c(OCc2nnc([C@H]3CCCOC3)o2)c1 643635315 CEDJQSJMJDMSKV-VIFPVBQESA-N 362.735 4.215 0 40 FIAB Cc1cc(F)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 661494521 AGOYKHUKFFLSAC-HQRMLTQVSA-N 362.489 4.056 0 40 FIAB Cc1cccc(CN2CCCC[C@H]2c2csc(Nc3cnccn3)n2)n1 1615526282 OOKKAZJRCQEGIB-KRWDZBQOSA-N 366.494 4.107 0 40 FIAB O=C1Nc2ccccc2NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 856469 RQNUEBUHNMYSIQ-LIKPIUCQSA-N 366.420 4.101 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1F 1332885 FRTVPBJOLARYBU-UHFFFAOYSA-N 353.378 4.332 0 40 FIAB CCc1nnc(NC(=O)CSc2nc3cc(C)ccc3cc2CC)s1 1339977 LHSNIUPZDUYWDS-UHFFFAOYSA-N 372.519 4.250 0 40 FIAB O=C1N(Cc2ccccc2Cl)c2ccccc2C12O[C@H]1CCCC[C@@H]1O2 1442174 MBUDUBBRGUDJST-OALUTQOASA-N 369.848 4.398 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)C)cc3)CC2=O)cc1 1461457 BLBFNKHSCVAMNV-MRXNPFEDSA-N 351.446 4.251 0 40 FIAB CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 2461033 JPEFOWSDHLEHOB-UHFFFAOYSA-N 355.437 4.097 0 40 FIAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)nc1 2493290 QNRCNEAOECEELN-FQEVSTJZSA-N 368.392 4.246 0 40 FIAB COc1ccc(Nc2nc(-c3ccc(C)cc3)c(CC(=O)O)s2)cc1 2956005 NBYGJKOSFGCOSH-UHFFFAOYSA-N 354.431 4.498 0 40 FIAB S=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)NC1CCCCC1 3285635 AQAGFFQSDNKQPD-UHFFFAOYSA-N 369.538 4.291 0 40 FIAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)NC1CCCCC1 3311564 ABIVPUGCRNJCTK-UHFFFAOYSA-N 364.656 4.253 0 40 FIAB c1ccc(CN2CCC(Nc3ncnc4sc5c(c34)CCC5)CC2)cc1 3332437 FQZXDFIVXYTGKE-UHFFFAOYSA-N 364.518 4.257 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1 3364652 MELACQSHXGDWFI-GFCCVEGCSA-N 358.488 4.102 0 40 FIAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(F)cc1Cl 3441374 MCFLLKPBMUYKKK-UHFFFAOYSA-N 357.768 4.428 0 40 FIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)c1C 4093926 WWVZWWFLODMUJM-LPTDTENNSA-N 359.425 4.407 0 40 FIAB O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1ccccc1 4922593 CHDCUVPGBAETRA-UHFFFAOYSA-N 357.457 4.266 0 40 FIAB CCCOc1ccccc1C(=O)Nc1nonc1-c1ccc(Cl)cc1 5422089 DAZNEVPLMKATNN-UHFFFAOYSA-N 357.797 4.431 0 40 FIAB Cc1occc1-c1nnc(SC[C@H]2CCCCO2)n1-c1ccccc1 5883154 UMBAUTAKBBRJRG-MRXNPFEDSA-N 355.463 4.497 0 40 FIAB C[C@H](OC(=O)CCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 6375067 MRVFBKSOKGKWQW-LBPRGKRZSA-N 366.244 4.496 0 40 FIAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 6629527 FJYUYLJKGCDKSR-GZTJUZNOSA-N 356.447 4.246 0 40 FIAB O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1ccccc1 6653485 DSSWGQNPRKKULL-UHFFFAOYSA-N 372.380 4.290 0 40 FIAB CCN(CCCNc1nnc2c3ccccc3n(C)c2n1)c1cccc(C)c1 6781625 JGFMIDJIJGAXPY-UHFFFAOYSA-N 374.492 4.153 0 40 FIAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1ccc(F)cc1 7161907 YWOVERQJYXPBKL-SNVBAGLBSA-N 363.439 4.246 0 40 FIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCO2 7688737 IPYDHQGIDMJLON-UHFFFAOYSA-N 360.341 4.069 0 40 FIAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)NC(C)(C)C 7815358 XUSSEWCDPROTGB-ZDUSSCGKSA-N 374.554 4.175 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2csc(-c3cccs3)n2)c1 8230427 LWVWVDJCDFABTR-UHFFFAOYSA-N 369.471 4.016 0 40 FIAB Cc1ccc(NC(=O)CCCOc2ccc(Br)cc2)c(O)c1 8378836 ZTXFMOPBEJVTLY-UHFFFAOYSA-N 364.239 4.261 0 40 FIAB C[C@H]1CCCCN1CCCNC(=O)C(c1ccccc1)c1ccccc1 8394076 WGFSOWRSUJBUKD-IBGZPJMESA-N 350.506 4.199 0 40 FIAB Cc1nc2c(=O)n(Cc3cccc(F)c3)nc(-c3ccc(F)cc3)c2s1 8955535 ZIYYJGJZEBEFLG-UHFFFAOYSA-N 369.396 4.155 0 40 FIAB O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 9233761 FRQNROHIPNIRTI-JTQLQIEISA-N 367.207 4.124 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2Cl)cc1 11173063 KDJFUELLDMHEGH-GFCCVEGCSA-N 351.805 4.134 0 40 FIAB O=C1c2ccccc2N[C@@H](c2cccc3cccnc23)N1CC(F)(F)F 11376538 FGMNGZJXWPXBQB-QGZVFWFLSA-N 357.335 4.364 0 40 FIAB COc1ccc(CC(=O)NCc2ccccc2COc2ccccc2)cc1 11454147 QSWYYRDAPOCDEG-UHFFFAOYSA-N 361.441 4.133 0 40 FIAB O=C(c1ccc2ccccc2c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 11546941 LAYGOXFNSZYVSK-HXUWFJFHSA-N 374.488 4.178 0 40 FIAB Cc1cnc(NC(=O)CCS[C@H]2CCc3ccccc3N=C2O)s1 12322942 BYBKUSJXVHNFNW-AWEZNQCLSA-N 361.492 4.116 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c1 12586992 PGHCCKHECJIIHB-TXEJJXNPSA-N 355.887 4.008 0 40 FIAB Fc1ccc(OCCCSc2nnc(NCc3ccco3)s2)cc1 12813013 PWLSGHMAXLCBFV-UHFFFAOYSA-N 365.455 4.444 0 40 FIAB COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cccs3)C[C@@H]21 13479804 VBQPDDRNBZLLTM-OXJNMPFZSA-N 363.442 4.394 0 40 FIAB O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1cccnc1 13622694 GWPIKNWVLKUAPA-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cc(Br)c[nH]1 14228993 YHTVXQCGHICMQG-LLVKDONJSA-N 371.687 4.398 0 40 FIAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1Cc2ccccc2O1 15610901 GDYFDRNOUPBIDM-LJQANCHMSA-N 356.853 4.273 0 40 FIAB Cc1cc(NC(=O)COc2ccc(Cl)cc2C)n(-c2ccccc2C)n1 18194226 ZJFRMIOJTFHDPY-UHFFFAOYSA-N 369.852 4.468 0 40 FIAB COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 18891807 APKXJLUJCYMEFJ-AWEZNQCLSA-N 363.413 4.111 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)c2[nH]c3ccc(OC)cc3c2C)cc1 19715070 OETRNKXFXKWHBI-FQEVSTJZSA-N 364.445 4.471 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(=O)OC)c1C 20107695 YQGAVBVQSHOOCB-GOSISDBHSA-N 355.434 4.195 0 40 FIAB CC(C)C(=O)Nc1ccc(OCC(=O)O)c(-c2nc3ccccc3s2)c1 20157776 PVTLRTUBYFSZGT-UHFFFAOYSA-N 370.430 4.021 0 40 FIAB CCn1nnc2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)ccc21 21006975 BQIIIQMXNXCPPS-UHFFFAOYSA-N 357.417 4.447 0 40 FIAB O=C(c1cccs1)N(CCn1cccn1)c1nc2c(F)cccc2s1 23144864 GNJVQFLHJJAULH-UHFFFAOYSA-N 372.450 4.040 0 40 FIAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Cl)c(Cl)c1 23718803 LMQVINZVHBVRHN-LLVKDONJSA-N 362.260 4.423 0 40 FIAB COC(=O)c1c(CN[C@@H](C)c2ccc(F)c(F)c2)nc2ccccc2c1C 23866528 NXMDWHJAOHULLU-ZDUSSCGKSA-N 370.399 4.459 0 40 FIAB O=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)C2CC2)CC1 24024758 XFZRHOITAOAAMF-UHFFFAOYSA-N 363.413 4.140 0 40 FIAB O=C(COc1ccc(C2SCCS2)cc1)NCCCc1ccccc1 25012213 DJJHXQFNHIIPQO-UHFFFAOYSA-N 373.543 4.293 0 40 FIAB COc1ccccc1C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27747255 PYOWCAJIQBJMRZ-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB COc1cc(C)c(NC(=O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1OC 29707800 ZGZCAGZQKAIQKF-YXJHDRRASA-N 363.498 4.428 0 40 FIAB Cc1cc(C)c(NC(=O)CNc2cccc(-c3ccnc(C)n3)c2)c(C)c1 31785420 KWWRLVACWQAFJB-UHFFFAOYSA-N 360.461 4.428 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccco2)cc(C)c1Cl 32593351 ATGNSQRISUWBPG-CQSZACIVSA-N 373.840 4.201 0 40 FIAB Cc1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1C 32915717 MFYPRLQRTPIBJJ-UHFFFAOYSA-N 356.813 4.204 0 40 FIAB CCN(CC)CCNc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 36613618 APWMMRXVCFZZPN-UHFFFAOYSA-N 352.404 4.225 0 40 FIAB CC[C@@H](C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 40039545 QWEGZPHJEDVNLZ-LJQANCHMSA-N 362.429 4.342 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N[C@@H](C)c1ccccc1F 40071194 FIYNXSYCTIQAEG-AWEZNQCLSA-N 366.440 4.189 0 40 FIAB Cc1csc(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)n1 40119803 ANYQJOJQVPWEKF-UHFFFAOYSA-N 360.870 4.089 0 40 FIAB Cc1csc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)n1 40128471 ZCZXKQRXLHDKGZ-UHFFFAOYSA-N 369.494 4.389 0 40 FIAB CC[C@H](C)[C@@H](NC(=O)CCc1ccc(OC)cc1)c1nc2ccccc2[nH]1 47173793 ZIWSFIUMJYSKCE-YCRPNKLZSA-N 365.477 4.408 0 40 FIAB Cc1cccc(-c2noc(C[S@@](=O)Cc3ccc(F)cc3Cl)n2)c1 58393997 UFVNOKBTAQQAGR-XMMPIXPASA-N 364.829 4.286 0 40 FIAB COc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1Cl 61110937 ZYQPXASDJAPCLK-UHFFFAOYSA-N 369.852 4.463 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(O)[nH]c(=S)nc2c1 63809281 GEBQLHMYAJJZDR-UHFFFAOYSA-N 365.336 4.269 0 40 FIAB Fc1ccc([C@@H]2CN(Cc3ncc(-c4cccs4)o3)CCO2)cc1F 67379708 CRDSOPGMRKJFME-INIZCTEOSA-N 362.401 4.255 0 40 FIAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2F)c1 68740865 XDSFGQUFXSJNLD-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)CCOC(C)C)cc1 72286727 KVUOIWJZIMUZEV-WOJBJXKFSA-N 363.498 4.097 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N1CCCSCC1 77674638 WPWAWABVTLZFLG-UHFFFAOYSA-N 369.490 4.218 0 40 FIAB C[C@H]1[C@@H](C(=O)O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 79041916 NRSJXNCIMCCZPV-GJZGRUSLSA-N 365.429 4.121 0 40 FIAB CN(Cc1nc2ccccc2o1)C(=O)c1csc(Cc2ccccc2)n1 79105890 WKFIPMGEWYWOKN-UHFFFAOYSA-N 363.442 4.147 0 40 FIAB Cc1csc([C@@H](C)NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)n1 89705323 MLYSQDQMVGTJDU-MRVPVSSYSA-N 351.382 4.148 0 40 FIAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccc(C[C@H]2CCCC2=O)cc1 95478260 IYEGJWLPZNFHGJ-WMLDXEAASA-N 365.429 4.069 0 40 FIAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21 96117224 VKJXITFBZWHDEG-MRXNPFEDSA-N 357.841 4.162 0 40 FIAB CN(C)c1cccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193830 WHQXFWJHUYTGDM-UHFFFAOYSA-N 361.430 4.332 0 40 FIAB Cc1ccc(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C 96621650 VZYRHFRDBIKWMA-UHFFFAOYSA-N 356.897 4.238 0 40 FIAB COc1cc(CNC(=O)CSCc2cccc(C)c2)ccc1OC(C)C 222740833 RKXDTUVIMOXLRR-UHFFFAOYSA-N 373.518 4.340 0 40 FIAB COc1ccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 222948973 YXWBNOLWJIHGJV-UHFFFAOYSA-N 369.852 4.129 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccc(Cl)cc2Cl)c(C)c1 223367463 GHJWIPYUFNXRKH-UHFFFAOYSA-N 368.260 4.184 0 40 FIAB COc1ccc(CCC(=O)Nc2nnc(-c3ccccc3)s2)cc1C 223421153 OTYUGUKCKUAADT-UHFFFAOYSA-N 353.447 4.093 0 40 FIAB CCOc1ccc(CCCNC(=O)c2ccc(C)cc2Cl)cc1OC 225001476 LDYFULWSZIBZDJ-UHFFFAOYSA-N 361.869 4.418 0 40 FIAB CC(C)c1ccc(CCCNC(=O)c2ccc(Cn3ccnc3)cc2)cc1 225229624 BHNUQDQOLPCAAR-UHFFFAOYSA-N 361.489 4.417 0 40 FIAB COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1 226344436 AESQHNJZYKJJFV-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB O=C(c1cnco1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257259060 KWRLXLGSJQMSRD-INIZCTEOSA-N 371.824 4.274 0 40 FIAB Cc1cc(Br)cc2c1CN(C(=O)CCc1ccccc1)CC2 539343331 PFLNUURRLHRTMF-UHFFFAOYSA-N 358.279 4.275 0 40 FIAB Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCC(C1CC1)C1CC1 547335947 QZLBUVMMKXCGJJ-UHFFFAOYSA-N 355.507 4.046 0 40 FIAB O=C(NCc1ccc(-c2ccsc2)o1)c1ccc(C(F)(F)F)nc1 575611551 WRYWWSRKEYQGBC-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(C)o2)c2cnn(C(C)C)c2n1 604731295 AZHNFGQMOPVCLP-QGZVFWFLSA-N 352.438 4.199 0 40 FIAB COc1cccc2cc(CNC(=O)NC[C@@H]3CCCc4ccccc43)oc12 1115972635 CLYWYECFFSYWFM-KRWDZBQOSA-N 364.445 4.361 0 40 FIAB C[C@@H](c1ccccc1)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1775975522 JFTCKYBUSHFDAP-ZDUSSCGKSA-N 351.372 4.100 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 827299 LBGMVALJQKCGEG-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)c1 846917 PWXIXIWETWMNNP-OAHLLOKOSA-N 351.402 4.124 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 983279 MVTXCBGDOJLGPA-UHFFFAOYSA-N 372.515 4.080 0 40 FIAB COc1ccc2cc3c(N)c(C(=O)Nc4ncc(C)s4)sc3nc2c1 1223888 FAQVESOJDCUMLV-UHFFFAOYSA-N 370.459 4.058 0 40 FIAB CC(C)c1ccc(NC(=S)N/N=c2/c(=O)c3cccc4cccc2c43)cc1 3235209 UXDQVNPHPDTIEG-HIXSDJFHSA-N 373.481 4.155 0 40 FIAB CC(C)CN(CC(C)C)Cn1nc(-c2ccc3c(c2)OCO3)oc1=S 3287403 ZICAXRCLGHJNFO-UHFFFAOYSA-N 363.483 4.173 0 40 FIAB COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1)CSC2 3892419 NMBUDGKXEBHJJK-UHFFFAOYSA-N 365.458 4.188 0 40 FIAB FC(F)(F)c1ccccc1/C=C/c1nn2c(-c3ccncc3)nnc2s1 5032228 UTAYECCAUFYYAS-AATRIKPKSA-N 373.363 4.437 0 40 FIAB COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)C12CC3CC(CC(C3)C1)C2 5254665 PLTSXWJSGHXZAU-DNTLAJCMSA-N 370.445 4.091 0 40 FIAB Fc1cccc(Cl)c1-c1nc(=S)nc2nc(S)[nH]c(S)c1-2 5816160 AKTQZYPYHOLBQL-UHFFFAOYSA-N 356.860 4.071 0 40 FIAB C[C@H](Oc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)c1ccccc1 5880886 YZRMKZVTOGYVCN-HNNXBMFYSA-N 371.392 4.137 0 40 FIAB CCOc1cc(C(=O)Nc2ccccc2Br)ccc1OC 6155477 BYYQYHDPNDIGOK-UHFFFAOYSA-N 350.212 4.109 0 40 FIAB CCCn1/c(=N/C(=O)c2c3c(nc4ccccc24)CCC3)[nH]c2ccccc21 6187120 UDILSCOBTCOEHX-UHFFFAOYSA-N 370.456 4.157 0 40 FIAB COc1ccc(-c2nc(NC(=O)COc3ccc(F)cc3)sc2C)cc1 6217388 OXINBGCHUBNGPM-UHFFFAOYSA-N 372.421 4.284 0 40 FIAB Cc1ccc2nc(-c3ccc(N4C(=O)c5cccnc5C4=O)cc3)sc2c1 6522009 BCQXOGBAQZYEMD-UHFFFAOYSA-N 371.421 4.467 0 40 FIAB O=C(NCc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 7545281 ZVOTWZXADFDXJX-UHFFFAOYSA-N 355.441 4.209 0 40 FIAB CC(=O)c1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1 7580535 ABPKKAXLWYBFNL-UHFFFAOYSA-N 368.458 4.185 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 7653141 SFLJBEIUFUHVBQ-QWHCGFSZSA-N 360.454 4.142 0 40 FIAB COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1Br 7667452 KRSSIJAKXDXTEV-MRXNPFEDSA-N 360.251 4.265 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 7726216 QBHCZGFQENLJCB-UHFFFAOYSA-N 358.825 4.475 0 40 FIAB COc1ccccc1OCC(=O)N[C@@H](c1ccc(C)cc1)c1cccs1 7739968 YRXISYSOCYGURB-NRFANRHFSA-N 367.470 4.350 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1C 8218312 ASAGGXSZPQOOPX-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB COc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1 8232334 CGWCLDPYFYMUMO-UHFFFAOYSA-N 353.447 4.050 0 40 FIAB COc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1 8470289 HUWONKKIIDCRCQ-UHFFFAOYSA-N 362.267 4.289 0 40 FIAB Cc1nc2nc(-c3ccc(Cl)cc3)nn2c(O)c1Cc1ccccc1 8686314 HLURYWYETABLCX-UHFFFAOYSA-N 350.809 4.050 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)c2ccc(Br)cc2)cc1 8915710 AKBFODYACRQXQU-UHFFFAOYSA-N 358.195 4.060 0 40 FIAB O=C(CSc1ccc(F)cc1)Nc1ccccc1C(=O)N1CCCCC1 9447715 PBNAAVLVZQJNCA-UHFFFAOYSA-N 372.465 4.183 0 40 FIAB Cc1ccsc1C(=O)NCCSc1ccc(Br)cc1 9478744 XOLDOECUESFULJ-UHFFFAOYSA-N 356.310 4.341 0 40 FIAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccco4)ccc3o2)cc1 9660001 XLIYSZXNQGYJBF-UHFFFAOYSA-N 361.353 4.314 0 40 FIAB CC(=O)c1sc(NC(=O)CCCSc2ccc(F)cc2)nc1C 10218101 PNQHROWWZHNIDC-UHFFFAOYSA-N 352.456 4.304 0 40 FIAB Cc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1-n1cccc1 10376780 IHGZCJWMXKHUHQ-UHFFFAOYSA-N 359.433 4.364 0 40 FIAB COc1ccc([C@@H]2CN(C[C@@H](C)c3ccccc3)C[C@H]2c2cc[nH]n2)cc1 12128538 PLDVYRZCXMGCLN-VOQZNFBZSA-N 361.489 4.405 0 40 FIAB CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)c1cc(-c2cccs2)no1 12147544 OAKJCMCSMWHAKK-UHFFFAOYSA-N 372.837 4.205 0 40 FIAB Cc1ccc2[nH]c([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)nc2c1 12221580 ANLOSVRTXYJPEI-KRWDZBQOSA-N 365.481 4.259 0 40 FIAB CCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C1CCCC1 12406828 DJSXUVVDKLAHJQ-UHFFFAOYSA-N 374.506 4.401 0 40 FIAB COc1ccc(NC(C)=O)cc1N[C@H](C)c1nnc(-c2cccc(C)c2)o1 12536323 SEMDWJUIBUYTFV-CYBMUJFWSA-N 366.421 4.185 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2occc2COc2ccccc2)c1 12924252 HFXIDRWJXVIUIW-UHFFFAOYSA-N 350.374 4.069 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(C)cc2)cc1 12938678 TXUZPHLAQBTRRI-UHFFFAOYSA-N 374.440 4.464 0 40 FIAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1cccc(Br)c1 12972695 COPXKCOZVFNKHN-SNVBAGLBSA-N 351.244 4.360 0 40 FIAB Brc1cncc(-c2nn3c(C4CCCCC4)nnc3s2)c1 13682691 HXXAOXUEBHGLFE-UHFFFAOYSA-N 364.272 4.058 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 16962556 MIKPEDJODIQXSE-UHFFFAOYSA-N 350.462 4.229 0 40 FIAB COc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc(OC)c1OC 18131189 HVKGWGKFNMJXLE-QGZVFWFLSA-N 357.450 4.230 0 40 FIAB COc1ccc(CCCC(=O)Nc2ccc(Cn3ccnc3)cc2)cc1C 19571317 CTVHMOQLSBNRIL-UHFFFAOYSA-N 363.461 4.210 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1Cl 20483750 HBDVLXBJJDXNDU-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)ccc1O 20915789 DIILQXXYLWMDEL-QFIPXVFZSA-N 374.440 4.476 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)c1ccc(F)cc1 20919023 HBQFODBZVZBISN-UHFFFAOYSA-N 352.361 4.029 0 40 FIAB Cc1c(Cl)cccc1Nc1nnc(S[C@@H]2CCCCNC2=O)s1 21534000 ZPCBQWMOONIXMS-GFCCVEGCSA-N 368.915 4.004 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 22267053 OATXIQOZQQWNDZ-UHFFFAOYSA-N 352.478 4.069 0 40 FIAB CCCc1ccc([C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C(C)C)cc1 24914115 WZHSXKYDBVAQAG-OAQYLSRUSA-N 362.477 4.347 0 40 FIAB C[C@H](NC(=O)C[C@@H](C(=O)O)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 25047866 BYZFUNHQDREUND-VBKZILBWSA-N 369.436 4.140 0 40 FIAB CN(C)[C@@H](CNC(=S)Nc1cccc(C(F)(F)F)c1)c1cccs1 25436623 LWSHQZLLZFPGNF-ZDUSSCGKSA-N 373.469 4.356 0 40 FIAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1Cl 26124094 YIAHTQNJSMFAGF-UHFFFAOYSA-N 366.783 4.465 0 40 FIAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 26638713 IKICCTPFZORYIO-ZDUSSCGKSA-N 356.372 4.430 0 40 FIAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc21 30946873 KDQXRBIBHZYIGR-GOSISDBHSA-N 354.881 4.141 0 40 FIAB O=C(Nc1cccc2[nH]ccc12)C(=O)NC(c1ccccc1)c1ccccc1 32087476 ZFFVGYTWTRSMBY-UHFFFAOYSA-N 369.424 4.012 0 40 FIAB C[C@@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)NCc1ccccc1 32666458 ZGGZTAHLELBNGA-QGZVFWFLSA-N 374.440 4.292 0 40 FIAB Cc1ccc(CSCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 32711506 WFDRLPRIMPUMHL-UHFFFAOYSA-N 369.530 4.093 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)cc1 32738189 UYRJTGCPDBBSLU-UHFFFAOYSA-N 358.441 4.421 0 40 FIAB O=C([C@@H]1CC=CCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 32975603 SGTZLDBCKVOVOJ-JOCHJYFZSA-N 360.501 4.277 0 40 FIAB Cc1ccsc1C(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 32988020 SRLBGJQEHAXHBC-UHFFFAOYSA-N 372.471 4.393 0 40 FIAB CCOC(=O)C1(C(=O)OCC)Cc2ccccc2[C@@](C)(c2ccccc2)C1 38932495 CPXRMUJPSIXIIL-JOCHJYFZSA-N 366.457 4.051 0 40 FIAB COc1ccccc1CNC(=O)COc1ccc(C2CCCCC2)cc1 39983317 BBDPGVYDIDWEJS-UHFFFAOYSA-N 353.462 4.438 0 40 FIAB COc1ccc2c(c1)N[C@]1(C=C(C)Oc3c1c(C)nn3-c1ccccc1)O2 40545385 BDIVIDDHIHKIPF-OAQYLSRUSA-N 361.401 4.143 0 40 FIAB Cc1ccc(-c2nnc([C@H]3CCN(C(=O)Nc4ccc(F)cc4)C3)o2)cc1 49170989 VCVDQLXOJROVRP-HNNXBMFYSA-N 366.396 4.206 0 40 FIAB biogenic,in-vitro C[C@@H]1CCc2c(C(=O)Nc3ccc(N4CCCC4=O)cc3)csc2C1 57932978 TZLYSEJJUIJSPW-CYBMUJFWSA-N 354.475 4.252 0 40 FIAB CCN(c1ccc(C(=O)NCCCn2cnc3ccccc32)cc1)C(C)C 58130018 IDRBOPDWVXZBFL-UHFFFAOYSA-N 364.493 4.091 0 40 FIAB CC[C@H]1CCc2nc(NC(=O)c3cnn(CC)c3C(F)(F)F)sc2C1 58226788 LBMNVHDXLMUBNJ-VIFPVBQESA-N 372.416 4.146 0 40 FIAB CCC(=O)[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C 64033475 KKGFLVSEDZXXOE-KBMIEXCESA-N 368.410 4.392 0 40 FIAB CC(C)(C)NC(=O)c1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1 66016653 ZUXFCDLENDHRFY-MRXNPFEDSA-N 356.491 4.254 0 40 FIAB CSc1c(CN2CCN(c3ccccc3)CC2)c2ccccc2n1C 68708495 FQKVAUPXHAOYFJ-UHFFFAOYSA-N 351.519 4.222 0 40 FIAB C[C@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)c2ccccc2S1 71839135 CPMUKZVAFLXUSK-ZDUSSCGKSA-N 366.442 4.166 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)C3CCOCC3)c2C(=O)c2ccco2)C1 71874142 RXPZIQCBXHBVHH-GFCCVEGCSA-N 373.474 4.062 0 40 FIAB C[C@@H](CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCCC1 80345738 RXJCZBOXWNCBCK-LBPRGKRZSA-N 367.276 4.468 0 40 FIAB Cc1nc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)cc2nc1C 84057369 ORFLPOQQXYESCQ-UONOGXRCSA-N 351.372 4.098 0 40 FIAB Cc1cc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)n(C)n1 84101818 KPHIHMZPNSLUMR-UHFFFAOYSA-N 364.430 4.383 0 40 FIAB O=C(N1CC[C@H](c2ccccc2)C1)C1(c2ccc(F)cc2F)CCOCC1 89784743 VQSOCUGOYMHTMW-KRWDZBQOSA-N 371.427 4.029 0 40 FIAB Cc1cccc(CN2CCC3(CC2)CN(CC2CC2)Cc2ccccc23)n1 96242615 NXNOWYPGFFMQOC-UHFFFAOYSA-N 361.533 4.149 0 40 FIAB Cc1ccc(-c2nnc(/C=C/c3cn(-c4ccccc4)nc3C(=O)O)o2)cc1 96306016 GKFQNVWJMOQDMH-VAWYXSNFSA-N 372.384 4.099 0 40 FIAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5nncs5)(C4)C2)C3)cc1 100846192 XSWQZWKWEGXVLN-XSYNCLLFSA-N 353.491 4.323 0 40 FIAB CCCC[Sn]1(CCCC)ON=Cc2ccccc2O1 195998159 HYDNNXIUXSPNHY-UHFFFAOYSA-L 368.065 4.472 0 40 FIAB CC[C@@H](C(=O)N(CCc1cccs1)C1CCOCC1)c1ccccc1 206675832 NSOWKMWKMVLATG-HXUWFJFHSA-N 357.519 4.492 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222712839 WIGKCGDRUCCMSN-WMZOPIPTSA-N 369.461 4.109 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222898563 SYGIIHQQKRTZAR-PMACEKPBSA-N 362.502 4.255 0 40 FIAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 224419620 NNAOUKOXDPFPMI-IRXDYDNUSA-N 355.463 4.459 0 40 FIAB Cc1ccc(NC(=S)NCCC2=CCCCC2)cc1N1CCCC1=O 225355714 DSGNQNSPHVXAME-UHFFFAOYSA-N 357.523 4.299 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1cccc2c1CCCC2 225388036 VKZQNTVILAFAHF-CVEARBPZSA-N 353.462 4.219 0 40 FIAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCC2)c1 225509462 JKZMJPKCFUPZKC-UHFFFAOYSA-N 366.505 4.386 0 40 FIAB ClC(Cl)(Cl)c1nc(Cc2ccc(Br)cc2)no1 228944407 QFNDJZFLZSCQNX-UHFFFAOYSA-N 356.434 4.250 0 40 FIAB COc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)N4CCC[C@]34C2)cc1 247898693 POZRIAYNGJCFQS-CUWPLCDZSA-N 354.519 4.168 0 40 FIAB CC(C)c1nc([C@@H]2CCCN2c2ncnc3sc4c(c23)CCC4)no1 329504147 LCVBXEGOJOFVPN-LBPRGKRZSA-N 355.467 4.028 0 40 FIAB O=C(CCc1cncs1)NCc1ccc(Oc2ccccc2F)c(F)c1 556352877 FRUILJZPHWAZTD-UHFFFAOYSA-N 374.412 4.463 0 40 FIAB C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c2ccccc2C(=O)N1 558369544 ALDMCMABYWVRQR-LPTQZCDUSA-N 370.452 4.108 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)c1nnc(COC[C@H]2CCCO2)o1 1328230932 FGOVTMLRQOZQQG-RDTXWAMCSA-N 354.406 4.058 0 40 FIAB CCc1sc(-n2cccc2)nc1C(=O)Nc1ccc2c(ccn2C)c1 1565524932 YJJVZHUAWNYBCN-UHFFFAOYSA-N 350.447 4.240 0 40 FIAB COc1ccccc1NC(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 1775966861 IOKVIILEPWEOJR-GOSISDBHSA-N 368.458 4.279 0 40 FIAB CC(C)(C)c1ccc(N2CCC(COc3ccncc3Cl)CC2)nn1 2298190173 ICXPEETYYDSWMT-UHFFFAOYSA-N 360.889 4.118 0 40 FIAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1 825395 SPBDQUVZLDTQNC-UHFFFAOYSA-N 362.252 4.056 0 40 FIAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1c[nH]c2ccccc12 922343 DWVPSLNWOVNNRN-UHFFFAOYSA-N 353.378 4.332 0 40 FIAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccccc4)c(=O)c23)C1 1321100 VNWQZIIRIDODTM-AWEZNQCLSA-N 353.491 4.052 0 40 FIAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1ccc(Cl)cc1 1960666 HMTPGGPIWVEMJO-UHFFFAOYSA-N 372.635 4.120 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 2409766 PVQYPCJBBDFZAA-DLBZAZTESA-N 367.840 4.036 0 40 FIAB O=C(Nc1cc(Br)ccc1O)c1cc(-c2cccs2)on1 2465653 FMINSGZDOFADPK-UHFFFAOYSA-N 365.208 4.124 0 40 FIAB O=C(Nc1ccc(F)cc1)c1ccc(Cn2cc(Br)cn2)cc1 2763826 BHAWULFEBYWGJS-UHFFFAOYSA-N 374.213 4.085 0 40 FIAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(OC)cc2)c1C 3267022 GCLWEJVSDDEMCR-UHFFFAOYSA-N 363.413 4.154 0 40 FIAB COc1cccc(-c2csc(NC(=O)c3ccc(C(C)=O)cc3)n2)c1 3358598 QGHSGHNGOXOPTM-UHFFFAOYSA-N 352.415 4.274 0 40 FIAB Cc1oc2cc3oc(=O)c(CC(=O)NCCC(C)C)c(C)c3cc2c1C 4085171 IWMFQTANPLFNKE-UHFFFAOYSA-N 355.434 4.169 0 40 FIAB biogenic CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 4108141 WHEHYEBCGVJEHR-MNOVXSKESA-N 350.484 4.299 0 40 FIAB CCC(=O)N1N=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(CC)cc1 4278779 CXOAFPGCPKCIEQ-LJQANCHMSA-N 366.461 4.354 0 40 FIAB O[C@H](COC[C@@H]1CC=CCC1)CN(Cc1ccccc1)Cc1ccccc1 4559874 YNYFYZRFYNNBDF-RPWUZVMVSA-N 365.517 4.423 0 40 FIAB Cc1ccc(-c2nc(NCc3ccco3)n(C(=O)Cc3ccccc3)n2)cc1 4783717 XJYVIFTZLOPUHU-UHFFFAOYSA-N 372.428 4.342 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3cccc(OC)c3OC)n2)cc1 5169342 SWMQUFKLUIVFBY-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB CC[C@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 5287908 QNUUYPTUBFCXDV-LBPRGKRZSA-N 357.504 4.365 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 5558798 NXCBJWBBKVRKKH-GFCCVEGCSA-N 364.239 4.254 0 40 FIAB C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)c1nc2ccccc2c(=O)[nH]1 5640331 JYKKMFJUXVKWTB-WLYUNCDWSA-N 356.466 4.380 0 40 FIAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccccc1Br 5691633 USWOGAOCBFQNNE-UHFFFAOYSA-N 358.191 4.461 0 40 FIAB CN(C)c1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 6248115 VPMYSABLSGSMGU-UHFFFAOYSA-N 353.647 4.421 0 40 FIAB COc1cc(OC)c(OC)cc1/C=C/c1cc(C(=O)O)c2ccccc2n1 6638953 AIZMZDXRMGAZLC-CMDGGOBGSA-N 365.385 4.129 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(F)c1)S[C@H](C)C(=O)N2 6678888 MGNGJNTUOUSTRJ-FZKQIMNGSA-N 367.449 4.483 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1 7380285 FTLRDEKTAFAUKY-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB CC(C)(C)C(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1 7737398 IJMATDPGOZZHFX-UHFFFAOYSA-N 358.488 4.155 0 40 FIAB CC[C@@H](c1ccccc1)c1nn2c(-c3ccc(N(C)C)cc3)nnc2s1 9192517 VHMOSIQIXLGWPY-KRWDZBQOSA-N 363.490 4.461 0 40 FIAB C[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)Nc1cc(F)ccc1F 9338034 PEQZGAYFXFWQSX-SSDOTTSWSA-N 368.796 4.009 0 40 FIAB CSc1ccc(CN(C)C(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 10446794 SUTWRTCZSSVUTE-UHFFFAOYSA-N 368.506 4.315 0 40 FIAB O=C(Cc1c[nH]c2ccccc12)NCCCCOc1ccc(Cl)cc1 11084642 YBLOHRFRDKHLSB-UHFFFAOYSA-N 356.853 4.339 0 40 FIAB COc1ccc(Oc2cc(NC(=O)c3ccccn3)ccc2OC)cc1 11292083 PTCLHEOFFCPYKY-UHFFFAOYSA-N 350.374 4.143 0 40 FIAB COc1ccccc1-c1nnc(SCc2cccc3cccnc23)n1C 11389829 JQFCBROBCNRYBO-UHFFFAOYSA-N 362.458 4.331 0 40 FIAB CCOc1cccc(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 12111470 WHYUUPJAYQUXAG-UHFFFAOYSA-N 367.405 4.175 0 40 FIAB COc1ccccc1C1(NCc2cncn2Cc2ccccc2)CCCC1 12116981 NMRBDOPJLDWXKC-UHFFFAOYSA-N 361.489 4.499 0 40 FIAB COc1cc(CN2CCC(c3cc4ncccc4cn3)CC2)cc(OC)c1 12188677 KJEUKRLUJJQJGA-UHFFFAOYSA-N 363.461 4.027 0 40 FIAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C)cn3)s2)cc1 12533256 MGZKOQQIQYOYMD-UHFFFAOYSA-N 353.447 4.295 0 40 FIAB c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)nc1 13036185 RPADLWXOSKURJV-XMSQKQJNSA-N 371.396 4.053 0 40 FIAB COc1ccc(NCc2cc3cc(C(C)C)ccc3[nH]c2=O)cc1OC 13561390 TVAFSLQZWOBZIN-UHFFFAOYSA-N 352.434 4.281 0 40 FIAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C 13669250 AJICUNCUEPYAOI-OAHLLOKOSA-N 361.507 4.341 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 14247226 DLHFGEBFVIVEAR-INIZCTEOSA-N 368.440 4.071 0 40 FIAB Cc1cc2c(c(=O)o1)C(c1ccc(Cl)cc1)c1c(cc(C)oc1=O)O2 16756450 PFWQZBZOCKEUJD-UHFFFAOYSA-N 356.761 4.149 0 40 FIAB Cc1nc2sc([C@H](c3ccccc3F)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144232 RIHOTIFYOPJEQY-OZVIIMIRSA-N 374.485 4.011 0 40 FIAB CC(=O)N[C@@H](c1ccccn1)C1CCN(CC[C@@H](C)c2ccccc2)CC1 19455626 SOLADNXPSBPMSJ-WZONZLPQSA-N 365.521 4.165 0 40 FIAB CCCn1ncc(C(=O)Nc2ncc(Cc3ccccc3F)s2)c1C 19525915 JGHPNJCBZIVDOM-UHFFFAOYSA-N 358.442 4.040 0 40 FIAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1Br 20137839 VXONWRGWMRBUJO-UHFFFAOYSA-N 372.218 4.454 0 40 FIAB CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(F)cc1)C3 20671514 IOIOYCWXVQPSJE-ZDUSSCGKSA-N 370.453 4.068 0 40 FIAB O=C(NCc1ccccn1)c1ccccc1-c1ccc(C(F)(F)F)cn1 22996640 PRNNPRSVQDKCDO-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB CN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1cn(C)c2ccccc12 23239826 SBWLNEJCHBKYSE-SFHVURJKSA-N 373.859 4.004 0 40 FIAB CC(=O)Nc1nc(C(=O)Nc2ccc(-c3ccccc3)cc2F)cs1 25125564 DDKVDZHIGKVJCX-UHFFFAOYSA-N 355.394 4.160 0 40 FIAB CCC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cc1 27232117 UBZXOLLVSMSQJP-ZDUSSCGKSA-N 370.474 4.446 0 40 FIAB CCCCCC(=O)Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F 30450843 JJVAIIWRNNRZGH-UHFFFAOYSA-N 372.396 4.326 0 40 FIAB CCCc1nc2ccccc2c(C(=O)OCC(=O)N[C@@H](C)C(C)C)c1CC 32910246 QFYKINPUERQJHI-HNNXBMFYSA-N 370.493 4.067 0 40 FIAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)c4ccc(F)cc4)cc3c2C1 32945359 JMFKFPLQWVPRHW-ZDUSSCGKSA-N 365.404 4.472 0 40 FIAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2cccc(C)c2[nH]1 33063965 HYGRLHZGZDRSEP-UHFFFAOYSA-N 366.486 4.271 0 40 FIAB O=C(Nc1ccccc1F)C1CCN(c2nc3ccccc3s2)CC1 35312010 HDHWCZSBKNWROB-UHFFFAOYSA-N 355.438 4.291 0 40 FIAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1 36352680 CFGUAWRBYQNNSB-MRXNPFEDSA-N 367.380 4.152 0 40 FIAB CN(C)c1ccc(CCNC(=O)NC(c2ccccc2)c2ccccc2)cc1 38585650 QAAYDVZMSTVMOZ-UHFFFAOYSA-N 373.500 4.384 0 40 FIAB COc1ccccc1OCC(=O)N[C@@H](c1ccccc1)c1ccccc1C 38756030 ORTZYTDYKVODIO-QHCPKHFHSA-N 361.441 4.288 0 40 FIAB C[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccncc1 40049882 FENWRVQPPJDMQO-ZDUSSCGKSA-N 355.488 4.321 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)[C@H](Oc1ccccc1)c1ccccc1 40131100 VEEYVAIZGGJMKK-IFMALSPDSA-N 359.425 4.447 0 40 FIAB CCCOc1ccc(CNC(=O)NCc2ccc(OCCC)cc2)cc1 40145429 PBJFTJJTOYVAEU-UHFFFAOYSA-N 356.466 4.264 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44840703 OXYJSGXNQWXKEZ-GFCCVEGCSA-N 361.825 4.095 0 40 FIAB CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 44889818 LZWZGWPURTUOEQ-QGZVFWFLSA-N 364.474 4.415 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 44900231 MIMTUGVREBOAGS-HNNXBMFYSA-N 355.434 4.393 0 40 FIAB O=C(c1ccc(Br)cc1)N1CCC(Nc2ccccc2)CC1 48355490 LHBABYBDDAHUCF-UHFFFAOYSA-N 359.267 4.166 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)OC(=O)CCOc2cc(C)cc(C)c2)c1 48375380 AVAQCKNXNVBBLJ-MRXNPFEDSA-N 355.434 4.335 0 40 FIAB Cc1occc1C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 58174554 KWHIVQQTIWMBBN-UHFFFAOYSA-N 366.383 4.001 0 40 FIAB O=C(CCc1ccccc1)NCc1ccc(Cn2cnc3ccccc32)cc1 61523516 YOEGGWISGMCBBT-UHFFFAOYSA-N 369.468 4.334 0 40 FIAB CN(Cc1cc(C[C@@H]2C[C@H](NCC3CC3)C2(C)C)no1)c1ccccc1 67890352 VOAOFKWPIFHQMK-UTKZUKDTSA-N 353.510 4.268 0 40 FIAB biogenic,in-vitro C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cccc(C2SCCS2)c1 69329350 QTPZTUBJOOKJQG-XJKSGUPXSA-N 367.536 4.078 0 40 FIAB Cc1cc(NC(=O)CCc2c[nH]c3ccccc23)n(-c2ccccc2F)n1 69486577 WPRKQJIKNJNOHY-UHFFFAOYSA-N 362.408 4.372 0 40 FIAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1Cl 69925497 YXRKVZRYSLDYQF-UHFFFAOYSA-N 350.603 4.231 0 40 FIAB CCNc1nnc(SCc2ccc(OCc3ccccn3)cc2)s1 72034031 PSYPIGCMAMQBDT-UHFFFAOYSA-N 358.492 4.236 0 40 FIAB c1ccc(CCCN2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 72377923 YVTAZAVZNWJBQM-FQEVSTJZSA-N 374.492 4.170 0 40 FIAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC1CCC(C)(C)CC1 95453865 VHWJDLPPIYGOSO-UHFFFAOYSA-N 359.514 4.122 0 40 FIAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c[nH]c(=S)n1-c1ccccc1 97597493 MPWWENFOHXNERH-VXGBXAGGSA-N 369.412 4.386 0 40 FIAB O=C(Nc1cc2c(cc1Sc1ccccc1)OCCO2)N1CCCC1 101758552 NFNDLMGQFVKUIB-UHFFFAOYSA-N 356.447 4.237 0 40 FIAB CC1(C)C[C@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2O1 178040274 NZYLRRMKDYDQCN-IBGZPJMESA-N 365.473 4.153 0 40 FIAB O=C(CSc1ccc(F)cc1)N1CCS[C@@H](c2ccco2)CC1 207009735 MNUAOVCPQXKCDF-MRXNPFEDSA-N 351.468 4.218 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CSCc2ccccc2F)c1C 222707738 AXUQHVXMXKLKJZ-UHFFFAOYSA-N 361.438 4.183 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)s1 222729430 RHSCTLRNLGIKKD-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 223746072 QHIBQOCGSHPOMB-QZTJIDSGSA-N 367.499 4.329 0 40 FIAB CCC1(CC)C[C@H](NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2O1 224887872 SAVCDBCGDYBMSE-OXJNMPFZSA-N 367.445 4.025 0 40 FIAB CSc1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)s1 224898529 PFVACTDYPFRQKC-UHFFFAOYSA-N 357.460 4.091 0 40 FIAB COc1cc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(C)C 225018697 IAOZIIGGVURMIR-UHFFFAOYSA-N 368.477 4.216 0 40 FIAB Ic1ccc2cccnc2c1OCc1ccccc1 225391757 QVSIJLQIRVZWIM-UHFFFAOYSA-N 361.182 4.418 0 40 FIAB Cc1ccc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)c(C)c1 225738595 WTZJTOYVZBGKOT-KRWDZBQOSA-N 353.535 4.431 0 40 FIAB CCOc1cc(-c2nnc(N)o2)ccc1OCc1cccc2ccccc12 226325621 VKVQOSSLOXFXJA-UHFFFAOYSA-N 361.401 4.450 0 40 FIAB FC(F)(F)c1cc(-c2noc(C3CCNCC3)n2)cc(C(F)(F)F)c1 228939642 OLKVNOFANDNDIY-UHFFFAOYSA-N 365.277 4.241 0 40 FIAB CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(CC2CC2)CC1 257276736 NUWZFVISJHFRGT-UHFFFAOYSA-N 368.546 4.196 0 40 FIAB O=C(O)Cc1sc(=Nc2ccccc2Cl)[nH]c1-c1cccs1 408880477 HZTGOGJYAHURAI-UHFFFAOYSA-N 350.852 4.318 0 40 FIAB O=C(Nc1ccc(SCCc2ccc3c(c2)CCO3)nc1)C1CCC1 524733577 WLLJGPMYNYGCCK-UHFFFAOYSA-N 354.475 4.090 0 40 FIAB O=C(NCC[C@H](CCO)c1ccsc1)c1csc(-c2ccccc2)n1 575618696 BASYWIMNQGZSHG-CQSZACIVSA-N 372.515 4.158 0 40 FIAB Cn1nc(-c2ccsc2)cc1NC(=O)N1CC(C)(C)[C@H]1c1cccnc1 653032259 LUEJHPSUWVMNNI-QGZVFWFLSA-N 367.478 4.159 0 40 FIAB Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)nc1 1615159522 VUNVNDZPCPLMJD-UZLBHIALSA-N 367.468 4.049 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-n2cnnc2)ccc1Cl 679792 QSCOTLQXMRLTSM-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB COc1ccc(CCNC(=O)C[C@@H](C)Cc2cc(C)cc(C)c2)cc1OC 1295558 LRBAQNBZJDKANO-SFHVURJKSA-N 369.505 4.248 0 40 FIAB biogenic CCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2149521 MYCFIBAAHXJNEQ-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB biogenic O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc(F)c(F)c1 2622373 IUKPXGPSZCVKMG-UHFFFAOYSA-N 371.412 4.398 0 40 FIAB CC1(C)CCCC(C)(C)N1C[C@H](O)COc1ccccc1Br 2696137 XENPODWNAKEKAQ-AWEZNQCLSA-N 370.331 4.232 0 40 FIAB Cc1ccc(C)c(C(=O)COC(=O)CCc2nc3ccccc3s2)c1 3323026 QWMSSZUXSKIJOF-UHFFFAOYSA-N 353.443 4.272 0 40 FIAB COc1ccc(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(OC)c1 3359400 JPRNQAADCJXCNU-UHFFFAOYSA-N 369.200 4.050 0 40 FIAB Cc1nc2ccccc2nc1CSc1nnc(C)n1Cc1ccccc1 3408976 AHVNIKOPWAAEIL-UHFFFAOYSA-N 361.474 4.179 0 40 FIAB Cc1sc2ncnc(S[C@@H](C)C(=O)N(C)c3ccccc3)c2c1C 3495380 VWUPNUCLNYCFSZ-ZDUSSCGKSA-N 357.504 4.452 0 40 FIAB CCCCSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccccc1-2 4123918 YURMNDKCWVZRCI-QGZVFWFLSA-N 365.462 4.329 0 40 FIAB CSc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 4517469 IFSDFVPWYYEUPT-UHFFFAOYSA-N 358.444 4.042 0 40 FIAB O=C(Nc1cnn(Cc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 4650789 OIOPLWGPWFSWNX-UHFFFAOYSA-N 350.466 4.022 0 40 FIAB CCc1nnc(NC(=O)c2ccc(COc3ccccc3Cl)o2)s1 5032825 APWNEGIDWYTVOB-UHFFFAOYSA-N 363.826 4.178 0 40 FIAB CC(C)(C)c1ccc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)cc1 5059303 ACZSMXBXMDYDEV-UHFFFAOYSA-N 364.489 4.099 0 40 FIAB COc1cc2nc(NC(=O)c3ccc4ncsc4c3)sc2cc1OC 5187467 DDLWCNBEONBHKS-UHFFFAOYSA-N 371.443 4.176 0 40 FIAB CC(C)(C)NC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 5496259 XXUCVPLAXSSSGH-GHRIWEEISA-N 356.853 4.026 0 40 FIAB CCOc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 5861270 MPEABCHFLQFONJ-UHFFFAOYSA-N 358.488 4.450 0 40 FIAB Cc1ccccc1NC(=O)[C@]1(c2ccsc2)CC(=O)N1c1ccccc1 6756770 HBKWCFBXARZTMA-OAQYLSRUSA-N 362.454 4.327 0 40 FIAB COc1ccc(NC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 7014605 IZJRZWAPXIHARV-OUKQBFOZSA-N 365.408 4.289 0 40 FIAB COc1cc(COc2ccc(C(C)=O)cc2)c(OC)cc1Br 7338164 SQRJCJQLXAUTPB-UHFFFAOYSA-N 365.223 4.248 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7381187 QPXOYEVPBLWXNL-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1CC 7604933 NGWAWLBIXDAWAM-UHFFFAOYSA-N 373.309 4.288 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)s1 7799880 VJVZISYLHJZEJC-UHFFFAOYSA-N 370.503 4.328 0 40 FIAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)c1c[nH]c2ccccc12 8230656 JYEODADCKXRYQO-JTQLQIEISA-N 354.460 4.378 0 40 FIAB CC(=O)Oc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1 9095268 NMWGLUYVWBLZAU-UHFFFAOYSA-N 359.179 4.091 0 40 FIAB Cc1nc2ccc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)cc2s1 10253350 KKJPRJOEDVEVJN-UHFFFAOYSA-N 374.487 4.039 0 40 FIAB Cc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)no1 11923417 FZSHZCCCUQNMOO-UHFFFAOYSA-N 364.430 4.209 0 40 FIAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3onc4c3CCCC4)CC2)cc1 12119802 PCGZGBNMBWIVOU-MRXNPFEDSA-N 352.478 4.372 0 40 FIAB CN(C)c1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1 12542386 LKOVWISHHARTOT-UHFFFAOYSA-N 353.447 4.040 0 40 FIAB Cc1ccc(CNC(=O)COc2ccc(Oc3ccccn3)cc2)cc1F 12545067 HFMLVFATIWJTKX-UHFFFAOYSA-N 366.392 4.017 0 40 FIAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCN(c3ccccc3Cl)CC2)o1 12548918 AAJZWZQNSMYFRB-WBVHZDCISA-N 372.896 4.338 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 12552271 MUJBYZULGCBMDR-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB Cc1noc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)n1 12608082 WSZSMMPCAKZYST-UHFFFAOYSA-N 362.433 4.288 0 40 FIAB Cc1ccccc1/C=C/c1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n[nH]1 12845297 LIHSSUMCLUVOFT-ATOWBYMVSA-N 370.522 4.071 0 40 FIAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2F)cc1 12856155 VCYYTFTXINLIKT-HXUWFJFHSA-N 356.441 4.390 0 40 FIAB Cc1cc(C)c(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 12913382 UPYLFONVWBTAKN-UHFFFAOYSA-N 368.521 4.273 0 40 FIAB CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2cc(Cl)ccc2s1 12919736 TXXNOPWFMVVLPO-HNNXBMFYSA-N 374.849 4.143 0 40 FIAB COc1cc(C)c(NC(=O)Cc2csc(-c3ccsc3)n2)cc1OC 12945247 BZURJAMHXORVJI-UHFFFAOYSA-N 374.487 4.378 0 40 FIAB CC(C)n1ncc2cc(NC(=O)c3ccc(Br)s3)cnc21 13003521 FBIUXRJBYIUZNB-UHFFFAOYSA-N 365.256 4.089 0 40 FIAB O=C(Nc1sc(NC(=O)C2CC2)nc1-c1cccs1)c1ccco1 13570489 HASVHRFYIVZALM-UHFFFAOYSA-N 359.432 4.065 0 40 FIAB O=C(c1ccc(Cl)cc1)c1ccc(CN2CCCC[C@@H]2C(=O)O)s1 15590289 QSPKNFZKALNKIT-OAHLLOKOSA-N 363.866 4.072 0 40 FIAB CCSc1nnc(NC(=O)C(CC)(C(F)(F)F)C(F)(F)F)s1 17028721 VTTDLMLIADROQK-UHFFFAOYSA-N 367.340 4.110 0 40 FIAB biogenic COc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1Br 18105823 KMGDCZAOOFQHIW-UHFFFAOYSA-N 368.658 4.084 0 40 FIAB CN(C)C(=O)[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)c1ccccc1 19298321 ABISLBQSLWXFLW-QGZVFWFLSA-N 355.438 4.137 0 40 FIAB Cc1c(CN[C@H](C)c2cc(O)nc(-c3ccncc3)n2)oc2ccccc12 19566421 XXYOVZYSQRNBGM-CQSZACIVSA-N 360.417 4.150 0 40 FIAB CN(CCc1ccccc1)C(=O)c1cc(-c2ccncc2)c2cnccc2n1 19586201 WMYDIIPXMFWYEK-UHFFFAOYSA-N 368.440 4.007 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)c1cn2cc(Cl)ccc2n1 19716760 WMQPYKDQYPWQTK-UHFFFAOYSA-N 361.858 4.139 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1Cl 21806067 OFBNEDJKYXAKBP-UHFFFAOYSA-N 365.867 4.489 0 40 FIAB CCOc1cccc(CNCCc2ccc(OC)cc2)c1OC(F)F 23409449 NMVUUHXGDDDGBR-UHFFFAOYSA-N 351.393 4.028 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2nsnc12 23410744 UCDBBKFAOZDZGC-UHFFFAOYSA-N 354.218 4.016 0 40 FIAB Cc1cc2nc(N3CCC([C@H](O)c4ccccc4)CC3)c3ccccc3n2n1 26700963 ADUIABBCFWBTMW-JOCHJYFZSA-N 372.472 4.141 0 40 FIAB COc1ccc(CCNC(=O)c2oc3c(C)c(C)ccc3c2C)cc1OC 27995013 XTVJKDYDXDZACS-UHFFFAOYSA-N 367.445 4.348 0 40 FIAB Cc1ccc2[nH]c(C(=O)NC[C@H](c3cccs3)N3CCCC3)cc2c1 32762796 SQDUCOXAOMYZQA-GOSISDBHSA-N 353.491 4.105 0 40 FIAB COc1ccc(-c2nn3c(NCCC(C)C)cc(C)nc3c2C)cc1OC 32929396 QXKMQHJMLMQCGF-UHFFFAOYSA-N 368.481 4.488 0 40 FIAB COc1ccc(NC(=O)c2nc(-c3ccccc3)[nH]c2C)cc1OC(F)F 32932573 TWNJEGOPAUBQIL-UHFFFAOYSA-N 373.359 4.247 0 40 FIAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)cc1 33543190 YAVPGWSPUCEXOI-UHFFFAOYSA-N 362.216 4.016 0 40 FIAB Cc1ccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)[nH]n2)cc1C 35504176 ZIIFTARGQMENPU-UHFFFAOYSA-N 360.373 4.139 0 40 FIAB CCOc1ccc(-n2c(S)nnc2COc2ccc(Cl)cc2)cc1 36724594 DCEVOGDKJPIIDN-UHFFFAOYSA-N 361.854 4.187 0 40 FIAB COc1ccc(Cl)cc1COC(=O)Cc1coc(-c2ccccc2)n1 36795018 JIMWXFYYKJQAKN-UHFFFAOYSA-N 357.793 4.290 0 40 FIAB CSc1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 36875386 HXJUOPFTSZEXIB-OAHLLOKOSA-N 360.910 4.066 0 40 FIAB CN(Cc1ccccn1)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 40157485 JWJNFHAZXUDDQZ-UHFFFAOYSA-N 368.440 4.207 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2)ccc1Cl 44884749 CEWZTMXXMGHRDJ-NSHDSACASA-N 365.788 4.062 0 40 FIAB CC[C@H](NC(=O)c1ccc(CN2CCCC2)cc1)c1ccc(OC)cc1 44936461 PTBMCDWUODCNBK-NRFANRHFSA-N 352.478 4.172 0 40 FIAB Cc1cc(-n2cnnc2)cc(-c2nc3cc(Cl)cc(Cl)c3o2)c1O 45920637 FSSYQLWMNNWXKC-UHFFFAOYSA-N 361.188 4.396 0 40 FIAB O=C1CCCN1C[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1 47794508 CEAYZPDCXTYFGP-KRWDZBQOSA-N 363.288 4.447 0 40 FIAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H]1c1ccsc1 48234181 UYDFKEHNBUOCFH-OALUTQOASA-N 357.475 4.283 0 40 FIAB C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccccc1F 48355547 RTONULAPKLCXPQ-SNVBAGLBSA-N 363.845 4.485 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)c2cccc(-c3cn[nH]c3)c2)cc1Cl 55310554 SJKNDIGFBDDHEM-UHFFFAOYSA-N 368.824 4.331 0 40 FIAB CCCc1noc([C@@H](C)Nc2cccc(NC(=O)c3ccccc3)c2)n1 56174181 YXMKUYTZURUSSM-CQSZACIVSA-N 350.422 4.448 0 40 FIAB Fc1ccc(-c2cnc(CN3CCN(c4cccc(Cl)c4)CC3)o2)cc1 57442355 HZDALLKJBNIQGO-UHFFFAOYSA-N 371.843 4.456 0 40 FIAB CCOCCCn1c(SCCc2ccccc2)nc2ccccc2c1=O 67259148 DFJFRIVPQZUNNR-UHFFFAOYSA-N 368.502 4.158 0 40 FIAB COc1cccc(-n2nnc(-c3nc(-c4cccs4)cs3)c2C)c1 67341672 CLJAMWWYSAVXSR-UHFFFAOYSA-N 354.460 4.436 0 40 FIAB Cn1cc([C@H]2C[C@@H]2C(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)cn1 69166073 GUZWONWGUAJLSL-UXHICEINSA-N 365.864 4.410 0 40 FIAB C[C@H]1C[C@H](Sc2ncnc3scc(-c4ccc(F)cc4)c23)C(=O)O1 69982632 NZNQROHQKFLTCZ-ZANVPECISA-N 360.435 4.294 0 40 FIAB CC1=Nc2c(c(O)nn2C2CCCCC2)[C@H](c2c(C)nn(C)c2C)S1 71284533 OASXMZIYNNQSDL-INIZCTEOSA-N 359.499 4.330 0 40 FIAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)NCc2cccs2)C1 72082673 OBHUHZHUDNOPFP-AWEZNQCLSA-N 363.914 4.036 0 40 FIAB Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N(C)C 72218651 AYBUMVNSZWXTNR-LJQANCHMSA-N 353.466 4.320 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 72349083 BKRPSFBIAVLQEH-GOSISDBHSA-N 361.420 4.303 0 40 FIAB COc1ccc([C@@H]2CCCN2c2ccc(S(=O)(=O)C(C)(C)C)nc2)cc1 75107071 KHRMKPVNAKRLEM-SFHVURJKSA-N 374.506 4.004 0 40 FIAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc2cc[nH]c2c1 79493712 IAHKRGRTVQWVCN-UHFFFAOYSA-N 366.808 4.443 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)NCCc1nc2c(s1)CCCC2 89556204 RUSWVZCZQFIJIQ-UHFFFAOYSA-N 373.503 4.019 0 40 FIAB Cc1ncc(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1-c1ccccc1 92973845 SZDIROVKJAFCDT-OAQYLSRUSA-N 369.415 4.032 0 40 FIAB O=C(Nc1ccccc1)Nc1nnc(CCOc2ccc(Cl)cc2)s1 95116495 WLPRRRYLQHXKHW-UHFFFAOYSA-N 374.853 4.457 0 40 FIAB Cc1ccccc1-n1c(C)nnc1SCCC(=O)c1ccc(F)cc1 95455403 YZRMWPPTZCVTHN-UHFFFAOYSA-N 355.438 4.388 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cnc(-c3ccsc3)s2)cc1OC 95958517 KGNWVEROJDEJJB-LLVKDONJSA-N 374.487 4.380 0 40 FIAB O=C(Cc1cc(F)c(F)cc1F)N[C@@H]1CCCc2c1[nH]c1ccccc21 96230852 BWWJNPCQFIUMTF-GOSISDBHSA-N 358.363 4.322 0 40 FIAB CC(C)Oc1ccccc1C(=O)NCc1nc(-c2ccccc2Cl)no1 96234447 TWLHIJIAMNSGTK-UHFFFAOYSA-N 371.824 4.107 0 40 FIAB O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1F 100115007 UOJTVSMAVLSATP-AWEZNQCLSA-N 353.777 4.042 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccccc2C)c1 218965668 KIBYFKPCFXGBEQ-UHFFFAOYSA-N 357.519 4.349 0 40 FIAB Cc1cc(O[C@H](C)C(=O)N[C@@H](C)COc2ccccc2C)ccc1Cl 222854541 SEJVETVBHPCXSS-JKSUJKDBSA-N 361.869 4.308 0 40 FIAB CCc1cccc(CC)c1NS(=O)(=O)c1cc2c(cc1OC)CCCC2 222881370 MJMQZSUFSDBPND-UHFFFAOYSA-N 373.518 4.500 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2nnc(SCC(C)C)s2)c(C)c1 222881578 CZYZGAFKMAXCEB-UHFFFAOYSA-N 371.553 4.012 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)c1 224308799 SREGEWQFZWNMQQ-UXHICEINSA-N 362.502 4.214 0 40 FIAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NCC(C)C 224876719 UUIZCXZJXIPKLZ-MRXNPFEDSA-N 373.324 4.283 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H]2CCCc3ccccc32)c1 225460802 QPBJEYXMUAFLTE-INIZCTEOSA-N 374.893 4.491 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(C)cc2)c1 225469100 UFHJQBJMDYJYJS-LBPRGKRZSA-N 362.882 4.483 0 40 FIAB COc1ccccc1CCCNC(=O)c1cc(C(C)C)c(OC)cc1C 225665880 HVNZSXAWDPWVGC-UHFFFAOYSA-N 355.478 4.498 0 40 FIAB COc1ccc(-c2nnsc2C(=O)Nc2ccccc2SC)cc1 225763539 VJJOQXXOYDXWLX-UHFFFAOYSA-N 357.460 4.188 0 40 FIAB O=C(NCc1cccc2ccccc12)[C@H]1CCCN(Cc2ccccc2)C1 225901121 PYYHKULNJCTIMC-QFIPXVFZSA-N 358.485 4.368 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C)N=O 245241190 YRZPDZKJZDPQIF-CZGJHWADSA-N 374.525 4.253 0 40 FIAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409062806 BAMMVYWPOZHXCZ-KRWDZBQOSA-N 364.489 4.121 0 40 FIAB COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C(=O)C1(c2cc(C)no2)CC1 636129833 WRHRQOHVAOMWDB-HNNXBMFYSA-N 374.868 4.213 0 40 FIAB Cc1ccc2c(c1Br)CN(C(=O)N[C@@H](C)c1cscn1)C2 661638249 PKRPRVBELUHXNF-JTQLQIEISA-N 366.284 4.000 0 40 FIAB O=S(=O)(Nc1cnc2c(c1)CCCC2)c1ccc(Cl)cc1Cl 1258833179 HBKOGTFRWXTKOD-UHFFFAOYSA-N 357.262 4.068 0 40 FIAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 785802 XWQCQAUYHYYLEA-UHFFFAOYSA-N 356.897 4.211 0 40 FIAB CNC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CCCC2 908254 RGVPXGDTILOKMF-UHFFFAOYSA-N 372.490 4.026 0 40 FIAB O=C(O[C@H](C(=O)NCc1ccccc1)c1ccccc1F)c1cccs1 1381267 HMEPXSTWFYSLGS-SFHVURJKSA-N 369.417 4.102 0 40 FIAB O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1C1CCCCC1 1443249 LVDKTQXCQGIPRP-GOEBONIOSA-N 366.939 4.216 0 40 FIAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(F)cc2)cc1 1935147 AMIZLSOJRGBXLK-NTEUORMPSA-N 355.409 4.363 0 40 FIAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(F)cc1 2413328 FOJDQYAPJDDHFR-UHFFFAOYSA-N 353.378 4.246 0 40 FIAB COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cc1OC 2741006 AGEXQVCIUQDWQV-UHFFFAOYSA-N 359.376 4.468 0 40 FIAB COc1ccc(-c2nc(NC(=O)COc3ccccc3)sc2C)cc1 3554309 JXWZATQFFULVFC-UHFFFAOYSA-N 354.431 4.145 0 40 FIAB Fc1cccc(Cl)c1CSc1ccc2nnc(-c3ccncc3)n2n1 4328126 QFGRZLFSWOIEMA-UHFFFAOYSA-N 371.828 4.271 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 4723918 FTHGRZZGBLSXHC-UHFFFAOYSA-N 353.491 4.284 0 40 FIAB Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 5094313 OPGLZRXQQMGXOD-UHFFFAOYSA-N 354.397 4.038 0 40 FIAB COc1ccc2ccc(OCC(=O)NC34CC5CC(CC(C5)C3)C4)cc2c1 5365779 OTOYTNSPJXWHNV-UHFFFAOYSA-N 365.473 4.312 0 40 FIAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3C)o2)cc1OC 5434784 YGPGHDHMCMFZJD-UHFFFAOYSA-N 370.430 4.037 0 40 FIAB COC(=O)[C@H]1ON(c2ccccc2)[C@H]2c3ccccc3-c3ccccc3[C@H]12 5722016 AQHABOOWVCWCMY-FKBYEOEOSA-N 357.409 4.485 0 40 FIAB C[C@H](NC(=O)/C=C/c1cnc2ccccc2n1)C12CC3CC(CC(C3)C1)C2 5825438 CZBLHNOMJXRUMF-ZBXZMNJNSA-N 361.489 4.364 0 40 FIAB Cc1n[nH]c(C)c1NC(=O)CSC(c1ccccc1)c1ccccc1 5955702 YBCWDWNQYLEZFP-UHFFFAOYSA-N 351.475 4.488 0 40 FIAB CCOc1ncccc1C(=O)N(CC(C)C)c1nc2ccccc2s1 6342978 JDAZYRLSJHOSHA-UHFFFAOYSA-N 355.463 4.393 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1 6747695 MOBWRUCDJWMVCC-UHFFFAOYSA-N 357.797 4.024 0 40 FIAB O=C(c1ccc(NC(=S)Nc2ccc(F)cc2)cc1)N1CCCCC1 6970445 HZGLFXQKYVHTOK-UHFFFAOYSA-N 357.454 4.261 0 40 FIAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 7218276 AVOBFKZWJCTFAU-UHFFFAOYSA-N 364.681 4.468 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2cccs2)n[nH]1 7260114 MAGAWYZFCXPILT-GFCCVEGCSA-N 358.492 4.269 0 40 FIAB CCc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 7346696 ORUGKKAEAPBJFA-UHFFFAOYSA-N 362.307 4.279 0 40 FIAB CCOc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1C1CC1)O[C@H](C)C2 7364309 BGUHBAODHFMWQE-ASSNKEHSSA-N 364.445 4.138 0 40 FIAB CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1ccco1 7459332 XSYNWRDERMYWKK-UHFFFAOYSA-N 366.446 4.025 0 40 FIAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1 7882289 LKBMVYKBPOHEQX-GOSISDBHSA-N 358.441 4.448 0 40 FIAB COc1cccc(-c2nnc3sc(-c4cc(C)nc5ccccc45)nn23)c1 8992381 DQULHIMKVDEDCI-UHFFFAOYSA-N 373.441 4.385 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccccc3OCC)ccc21 9107056 WZDFGBWWEBRKRZ-UHFFFAOYSA-N 352.434 4.027 0 40 FIAB Cc1cnc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cn1 10235671 SKCSMKAJOWVAJJ-UHFFFAOYSA-N 372.881 4.068 0 40 FIAB COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(C)cc2)cc1 10254504 CBYZBABKDZWAHK-UHFFFAOYSA-N 352.434 4.256 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ccccc3)c12 10641769 RFZAWEYXTSLJDR-OAHLLOKOSA-N 370.456 4.435 0 40 FIAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(N2CCCC2=O)cc1 10947915 UKOVECOIZMTBOC-UHFFFAOYSA-N 374.893 4.339 0 40 FIAB Cc1cc(C)c(-c2csc(NC(=O)Cc3c(C)nn(C)c3C)n2)cc1C 11215224 VWUOCOTZXYREJJ-UHFFFAOYSA-N 368.506 4.267 0 40 FIAB CC(C)(C)c1ncc(C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)cn1 12219962 IXMQPMQGUMSWLB-UHFFFAOYSA-N 368.868 4.107 0 40 FIAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)nc1 12741600 KGPKFCPIJKQPIV-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB COc1ccccc1NC(=O)CSc1ccc(Br)cc1C 12997012 QHCSXVRNGALKJC-UHFFFAOYSA-N 366.280 4.497 0 40 FIAB CC1=C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3ccccc3)nc2N1 13123279 IYQQPSBHAYRHNJ-MRXNPFEDSA-N 365.824 4.103 0 40 FIAB Cc1ccc([C@@H](C)C(=O)N[C@H]2CCCc3nc(-c4ccncc4)ncc32)cc1 13227005 BYEJVGKORIPNKW-IERDGZPVSA-N 372.472 4.144 0 40 FIAB CCOc1cc(CN(Cc2ccncc2)Cc2cccnc2)ccc1OC 13989662 OKKIBZKADOKUNY-UHFFFAOYSA-N 363.461 4.086 0 40 FIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccc(OC(F)F)cc1 14302631 YYRRIEVRGLMXGR-UHFFFAOYSA-N 366.389 4.259 0 40 FIAB CCNC(=O)NC1=Nc2ccccc2N=C(CC)[C@@H]1c1ccc(F)cc1 14608079 UCYUKFFSGTYGIC-SFHVURJKSA-N 352.413 4.455 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)NCCCCOc1ccccc1 14701661 KEEHUGFGDGPZMO-UHFFFAOYSA-N 350.462 4.466 0 40 FIAB CCc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)sc2=S)cc1 16742362 TXUDRBYRQIZCLD-UHFFFAOYSA-N 361.536 4.475 0 40 FIAB Cc1ccc(S(=O)(=O)CC(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 19854877 UBLUDACDQIBMMO-UHFFFAOYSA-N 362.450 4.223 0 40 FIAB CC(C)CNC(=O)[C@H](C)Sc1nc2c(n1-c1ccccc1)CCCC2 23280158 NRKXNHMZGKWRMY-HNNXBMFYSA-N 357.523 4.004 0 40 FIAB O=C(NC1CC1)c1cc(SC[C@@H]2CC2(Cl)Cl)nc2ccccc12 23492647 VDPWBKLMSLVSMG-JTQLQIEISA-N 367.301 4.413 0 40 FIAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccccc1F 23544703 OZNZAUTZBPTQJN-ZDUSSCGKSA-N 352.365 4.162 0 40 FIAB C[C@@H]1CCc2c(sc3ncn4nc(-c5cc(C(C)(C)C)n[nH]5)nc4c23)C1 24614192 OCWJBTPXZKJPSY-SNVBAGLBSA-N 366.494 4.151 0 40 FIAB Cc1ccc(CN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C2CC2)cc1 25292783 JHHBKFRKVZJDRQ-AWEZNQCLSA-N 366.486 4.233 0 40 FIAB CCc1ccc(O)c(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)[nH]n2)c1 27663696 RGXRKRSSYBJZAN-UHFFFAOYSA-N 371.824 4.259 0 40 FIAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)cs1 27850133 KRMRVBDEZHBRLU-NWDGAFQWSA-N 357.401 4.298 0 40 FIAB COc1cc(CNC(=O)c2cc(Cl)c[nH]2)ccc1OCc1ccccc1 30874659 YPALMNYGHAVQDT-UHFFFAOYSA-N 370.836 4.186 0 40 FIAB COc1ccccc1CN(C)C(=O)NCCSCc1ccc(C)cc1 32802004 LXJAGIJPWHPNSD-UHFFFAOYSA-N 358.507 4.078 0 40 FIAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccccc1N1CCCC1=O 32871993 GPPFNYTYIYGSMD-UWVAXJGDSA-N 372.509 4.229 0 40 FIAB O=C(NCCCc1nc2ccccc2[nH]1)C1(c2ccc(Cl)cc2)CCC1 32902793 QUJDVOMSGNEXJS-UHFFFAOYSA-N 367.880 4.387 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(OC)c(OC)c1 40097631 GVPPKAQHKIHPKP-UHFFFAOYSA-N 354.859 4.473 0 40 FIAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1OC(F)F 40120092 ARKXTWVAGDIRID-UHFFFAOYSA-N 361.797 4.284 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)NCCSCc2ccccc2)cc1 41008038 ZNSZQORAZZWHFK-UHFFFAOYSA-N 357.519 4.413 0 40 FIAB O=C(c1ccc(I)cc1)c1ccc(F)c(Cl)c1 43210036 JYYMAAKYDDDEQI-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCc2ccccc2C1 44838712 HYJNHIXOCMACPF-UHFFFAOYSA-N 353.425 4.428 0 40 FIAB O=C(c1ccc(I)cc1)c1cncc2ccccc12 45028889 MSJZIUCRFDVOEX-UHFFFAOYSA-N 359.166 4.070 0 40 FIAB COc1ccc([C@H](C)NC(=O)NC2CCCCC2)cc1Br 48342941 LGEMPDKSRHSPCJ-NSHDSACASA-N 355.276 4.151 0 40 FIAB COc1ccc(-c2nc(C(=O)Nc3ccc(OC)c(F)c3)cs2)cc1 49218629 IANRMPLPWYTTJK-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@@H](c2cccc(O)c2)C1 49548220 YUSGNQXEMAGJSH-MRXNPFEDSA-N 353.809 4.414 0 40 FIAB COc1ccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)cc1OC 57435060 UMFQRWCHRVUNOB-HNNXBMFYSA-N 364.445 4.146 0 40 FIAB COC(=O)c1cc(F)ccc1CSc1nc(-c2cccs2)no1 75109005 CQDLAUYOCHGXPV-UHFFFAOYSA-N 350.396 4.016 0 40 FIAB O=C(/C=C/c1ccccc1)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 75165851 SGCAICRBIYQWMP-PPQGUHKJSA-N 364.445 4.376 0 40 FIAB CN(c1ccccc1)c1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)cn1 76970155 MXTXQWMVIUENMT-FQEVSTJZSA-N 372.472 4.176 0 40 FIAB Cc1cc(-c2csc(NC(=O)[C@@H]3Oc4ccccc4O[C@H]3C)n2)c(C)o1 84081689 OIYXLHJODVKYNJ-YVEFUNNKSA-N 370.430 4.187 0 40 FIAB COc1ccc(CC[C@H]2CCCCN2C(=O)c2cnc(C)s2)cc1OC 84290575 FVSRWHLNKFVVCF-MRXNPFEDSA-N 374.506 4.096 0 40 FIAB OCCCSc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 95429053 NWLSRTROSXIFRP-UHFFFAOYSA-N 356.535 4.238 0 40 FIAB CC(C)(C)OC(=O)[C@H](Cc1ccccc1)Nc1ncnc2sccc12 95460487 CJTFLBLWOHEREJ-HNNXBMFYSA-N 355.463 4.056 0 40 FIAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 96305790 CMMBRYZPEUNZPC-UHFFFAOYSA-N 372.490 4.331 0 40 FIAB CCn1/c(=N\C(=O)c2nc3ccccc3s2)sc2cccc(OC)c21 97551158 QLIMGZOQYRQVPY-CZIZESTLSA-N 369.471 4.082 0 40 FIAB COc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 102612266 PJKYTQJJUVENEU-YCRPNKLZSA-N 372.428 4.352 0 40 FIAB Cc1ccc(NC(=O)N2CCC(CN3CCc4ccccc43)CC2)c(C)n1 152386141 YBLGONYJZIJAKA-UHFFFAOYSA-N 364.493 4.005 0 40 FIAB CCOC(=O)c1cn(Cc2cccc(C)c2)c2cc(Cl)c(F)cc2c1=O 199805524 NROIYEKIBUXKLL-UHFFFAOYSA-N 373.811 4.327 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C 222550376 SJZUXSIDAGBGFM-UHFFFAOYSA-N 354.450 4.174 0 40 FIAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Br)S1 222559716 LLQQAKWFFISTAV-RLCCDNCMSA-N 374.307 4.433 0 40 FIAB CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 222734624 OWMDBZLCJPRONX-KXBFYZLASA-N 369.461 4.055 0 40 FIAB CC[C@H](NS(=O)(=O)Cc1cccc(Cl)c1)c1ccc(OC)c(C)c1 222941063 JTRSTXXUQIWJKR-KRWDZBQOSA-N 367.898 4.228 0 40 FIAB Cc1ccccc1CSCC(=O)NCc1ccccc1CN1CCCC1 224757886 ZEVKPUSFXKRDRA-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC(F)(F)F)cc1 224885365 FBLUTDUQRUAGIW-CQSZACIVSA-N 369.339 4.390 0 40 FIAB CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1ccc(C)c(C)c1 224886006 QJCJLHBMXBREEM-INIZCTEOSA-N 367.898 4.395 0 40 FIAB O=C1OC[C@@H]2CCN(Cc3cccc(Cl)c3)Cc3ccc(F)cc3N12 225486321 AUTRRDCLHYUANA-KRWDZBQOSA-N 360.816 4.210 0 40 FIAB biogenic,in-vitro CC(C)(C)OCCOc1ccc(C(=O)Nc2ccc3ncccc3c2)cn1 225727850 NUYLVEFBYOBZBN-UHFFFAOYSA-N 365.433 4.076 0 40 FIAB O=C(c1ccccc1)N1CCN(c2ccc(Cl)cc2-n2cccc2)CC1 226245631 NMUIBIYRFPGILL-UHFFFAOYSA-N 365.864 4.093 0 40 FIAB COc1cc(C=O)cc(CSC)c1OC(=O)c1ccc(Cl)cc1 226288801 YVNUJDZVZOSDLA-UHFFFAOYSA-N 350.823 4.243 0 40 FIAB CCCn1nccc1-c1ncccc1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 257335549 YKQCRGRRTMGTQR-KRWDZBQOSA-N 368.525 4.182 0 40 FIAB Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)c2ccc(C)c3c2CCC3)o1 333497495 CCBIVPFWGKEZKB-NRFANRHFSA-N 373.456 4.115 0 40 FIAB C[C@H](N[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(-c2ccncc2)c1 539040252 LRGNSZPECZRFAX-MBSDFSHPSA-N 371.484 4.200 0 40 FIAB Cn1cc(-c2cncc(CNC(=O)c3ccc(-c4cccs4)cc3)c2)cn1 575414279 AGOSNOZGDZUAQJ-UHFFFAOYSA-N 374.469 4.141 0 40 FIAB C[C@@H](C(=O)N1CCC[C@@H](c2ccccc2)CC1)n1ccc(C(F)(F)F)n1 1584586177 SSNDGJJHWVQWPT-GOEBONIOSA-N 365.399 4.259 0 40 FIAB O=C(CC1[C@H]2CCC[C@H]1CN(CC1CCCCC1)C2)NCc1ccco1 2055746021 AOROWIVGUWVFCF-OALUTQOASA-N 358.526 4.214 0 40 FIAB O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1ccccc1Cl 778496 JPACHZDKFXLHGN-UHFFFAOYSA-N 363.801 4.162 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1 844077 PGAHHTSNARQZCS-UHFFFAOYSA-N 355.415 4.061 0 40 FIAB CC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c1 976262 WBQXKMLHRUQDSI-UHFFFAOYSA-N 353.809 4.289 0 40 FIAB Cc1cc2cc(CN(C[C@H]3CCCO3)C(=O)C3CC3)c(Cl)nc2cc1C 1329068 CDHULFMTQDUWST-GOSISDBHSA-N 372.896 4.423 0 40 FIAB COc1cc(NC(=O)C(F)(F)Oc2ccc(Cl)cc2C)cc(OC)c1 1400379 WDHMXWXAWNAFMO-UHFFFAOYSA-N 371.767 4.276 0 40 FIAB O=C(Nc1ccc(I)cc1)c1ccc(Cl)cc1 1450879 BAQYFLHSCMIJRO-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1 2461075 VYZIQHXLSLPCDV-UHFFFAOYSA-N 353.396 4.019 0 40 FIAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2472232 MGNSSRFDNRJRKD-IRXDYDNUSA-N 369.856 4.059 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1nc2c(F)cc(F)cc2s1 2714018 XOOZYDSWUXTBEM-UHFFFAOYSA-N 354.765 4.245 0 40 FIAB O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 3109685 VEIZBDWYVNVAST-AWEZNQCLSA-N 361.631 4.364 0 40 FIAB O=C(COc1cccc(Br)c1)Nc1ccc(OC(F)F)cc1 3214884 SDJAIOURPSWYAY-UHFFFAOYSA-N 372.165 4.068 0 40 FIAB COc1cc(/C=C/C(=O)OCc2cccc(C(F)(F)F)c2)ccc1O 3259612 BLHWGSAUIHYJNE-SOFGYWHQSA-N 352.308 4.176 0 40 FIAB O=C(CSc1nnc(-c2ccccc2)o1)N[C@H]1CCCc2ccccc21 3538292 UEOPESOREKJNGK-KRWDZBQOSA-N 365.458 4.023 0 40 FIAB Cc1ccc(-c2cnc(SCCNC(=O)c3ccc(F)c(F)c3)[nH]2)cc1 4315438 XNNUUMWFJDZZCW-UHFFFAOYSA-N 373.428 4.185 0 40 FIAB CCOc1ccc(NC(=O)c2nnn(-c3ccc(C)c(Cl)c3)c2C)cc1 4315644 XDBGLDGRRCDZDK-UHFFFAOYSA-N 370.840 4.189 0 40 FIAB COc1cccc(-c2ccc(SCC(=O)c3ccc(C)cc3)nn2)c1 4356548 POFPXPWTRLNKNR-UHFFFAOYSA-N 350.443 4.436 0 40 FIAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc4c(c2)OCO4)N3)C1 4545437 ZNEANPQVODSFCL-DYZYQPBXSA-N 356.447 4.421 0 40 FIAB CCOC(=O)c1cnc2c(OC)nccc2c1Nc1cccc(Cl)c1 4709485 KLFPSBJRTPKCLA-UHFFFAOYSA-N 357.797 4.212 0 40 FIAB O[C@@]1(C(F)(F)F)[C@@H]2CCCCC2=NN1c1nc(-c2ccccc2)cs1 5274979 QIDGKKNCSDYWRY-MLGOLLRUSA-N 367.396 4.427 0 40 FIAB O=C(COCc1nc2ccccc2s1)Nc1ccc(C(F)(F)F)cc1 5404363 ZBDOVBOURHCHAE-UHFFFAOYSA-N 366.364 4.470 0 40 FIAB O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc(Cl)c1 5590483 XONXIYKXJYDYGR-UHFFFAOYSA-N 369.671 4.229 0 40 FIAB CCOc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1 6016493 TVVBAUVSQIVFLE-UHFFFAOYSA-N 358.488 4.387 0 40 FIAB COc1cc(CNCc2ccccc2)ccc1OC[C@H](O)c1ccccc1 6650897 VBEJDLNCOXHEHT-NRFANRHFSA-N 363.457 4.097 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1 6851000 RVZNLXQEUNJZCW-BONVTDFDSA-N 355.290 4.402 0 40 FIAB Cc1ccc([C@]2(C)NC(=O)N(CCSc3ccc(Cl)cc3)C2=O)cc1 7088409 BLKRUCSQBWSSQQ-IBGZPJMESA-N 374.893 4.208 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1C 7236442 XXTKDEMEVNYPSY-GFCCVEGCSA-N 366.446 4.228 0 40 FIAB COc1cccc(NC(=S)NCCSCc2ccccc2F)c1 7369395 WKYLMOIWOUGTRQ-UHFFFAOYSA-N 350.484 4.054 0 40 FIAB O=C1c2ccccc2N[C@H](C2CCCCC2)N1c1ccc2c(c1)OCO2 7884970 NPPWDFMSRMGNBK-FQEVSTJZSA-N 350.418 4.394 0 40 FIAB Cc1cc(NC(=O)[C@H](Sc2nc(C)c(C)c(C)n2)c2ccccc2)no1 8326092 HSVGJWTWSQSKJQ-QGZVFWFLSA-N 368.462 4.170 0 40 FIAB COc1ccc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)cc1OC 8328368 CIPVERSWGGMUAS-CQSZACIVSA-N 371.462 4.152 0 40 FIAB O=C(NC1CC1)[C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1 8395210 CCIFZKOVQJOACO-MRXNPFEDSA-N 357.866 4.328 0 40 FIAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NN=Cc1c[nH]c2ccccc12 8871547 AHFGAIDFADSDCD-ZDUSSCGKSA-N 355.825 4.047 0 40 FIAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(-c2ccccc2)cc1 8890600 OTTXUNPWZSOILY-DEOSSOPVSA-N 368.436 4.247 0 40 FIAB COc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1C 9226158 YAXAEIJIFODMBD-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB COc1ccc(-c2noc(CNc3ccc(Br)cc3)n2)cc1 9607442 JTQBWIRRZLNHEY-UHFFFAOYSA-N 360.211 4.120 0 40 FIAB CCOc1ccccc1CCCNC(=O)CSCc1ccc(OC)cc1 10110875 AUMVJAOAATYLQW-UHFFFAOYSA-N 373.518 4.076 0 40 FIAB CCn1c(SC[C@H]2CCCO2)nc2scc(-c3ccccc3)c2c1=O 11598140 FPBHQYUAUXQZJI-CQSZACIVSA-N 372.515 4.416 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OCC)cc2)cc1 12062635 JFSMZKKSHSYPSR-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1C(=O)C1CCCCC1 12120219 XTXUPHBOZXMWBU-AWEZNQCLSA-N 357.420 4.463 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c(C)c(C)c4c3O2)cc1 12297067 DAZDCPFBDVKGAG-KRWDZBQOSA-N 364.397 4.433 0 40 FIAB biogenic C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)C1 12763113 IWSXDFHTBYOYEO-IAGOWNOFSA-N 360.461 4.052 0 40 FIAB CC[C@H](C)[C@H](C(=O)Nc1cccc(C(=O)NC2CC2)c1)c1ccccc1 12799625 KNIONYAIEHOMRA-YWZLYKJASA-N 350.462 4.347 0 40 FIAB CCC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1 12904401 QQACDGNCXGVLDH-GFCCVEGCSA-N 363.360 4.287 0 40 FIAB O=C(/C=C/c1nc2ccccc2o1)OCc1c(F)c(F)c(F)c(F)c1F 12908132 MRPJBZQNHGUWBG-AATRIKPKSA-N 369.245 4.280 0 40 FIAB Cn1cc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 13639110 YFBMFDZRMWDSAD-YVLHZVERSA-N 350.399 4.125 0 40 FIAB O=C(Cc1cccs1)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13695044 JRNIIOOERYBMOE-UHFFFAOYSA-N 354.475 4.009 0 40 FIAB Cc1cccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)C[C@H]2C)c1 13786941 BOYCJKRGVKYYGB-QGZVFWFLSA-N 371.488 4.443 0 40 FIAB COc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC 13935616 GGHKGISCFLRZAK-UHFFFAOYSA-N 366.870 4.483 0 40 FIAB Cc1ccc(NC(=O)CSc2nc(C)c(Cc3ccc(O)cc3)[nH]2)cc1 13945868 CYDIPRNXVVELEP-UHFFFAOYSA-N 367.474 4.054 0 40 FIAB CCn1nnc2cc(C(=O)N[C@H](c3ccccc3)c3cccs3)ccc21 14125419 IUYSFUNBMHCBFH-LJQANCHMSA-N 362.458 4.032 0 40 FIAB COC(=O)c1ccc(OC(=O)c2cc(F)c(Cl)cc2Cl)c(OC)c1 14634829 MIRZOUCBSKBGAO-UHFFFAOYSA-N 373.163 4.147 0 40 FIAB CCc1ccc(OCC(=O)NCc2csc(-c3ccccc3)n2)cc1 15832409 UMYMDCJUKZQYSF-UHFFFAOYSA-N 352.459 4.068 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c2cccnc12 15840659 DSTKHHVYJXJXAD-HNNXBMFYSA-N 350.418 4.266 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)/C=C/c1cccc(F)c1 16777534 RZMJFDUHBZOXJG-VAWYXSNFSA-N 363.436 4.017 0 40 FIAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2cnc(C(C)C)nc2)on1 19120980 PPOFRJXVEDMSPO-KRWDZBQOSA-N 366.469 4.014 0 40 FIAB Cc1occc1-c1nc(NCCc2ccccc2)ncc1-c1cnccn1 19583097 IPIRUWGMKTXIHR-UHFFFAOYSA-N 357.417 4.157 0 40 FIAB Cc1cc(C)n([C@@H](C(=O)NCc2cccc(N3CCCCC3)c2)C(C)C)n1 19659556 KELGFGCBMHLZEV-OAQYLSRUSA-N 368.525 4.004 0 40 FIAB C[C@@H]1CCCCN1Cc1cccc(NC(=O)Cc2ccc3[nH]cnc3c2)c1 19662479 RNJRIKYFABYWOX-MRXNPFEDSA-N 362.477 4.119 0 40 FIAB C[C@@H](Sc1nncn1C)C(=O)N1c2ccccc2Sc2ccccc21 20311972 MKFGFSRCLXCCAP-GFCCVEGCSA-N 368.487 4.125 0 40 FIAB CC(=O)Nc1cccc([C@H](C)NCc2cc(Br)cs2)c1 20369961 YZFPTSLAHNSGTF-JTQLQIEISA-N 353.285 4.320 0 40 FIAB Cc1csc(CNC(=O)c2cccc(OCc3ccc(F)cc3)c2)n1 21482671 JYDSDWQPDRYSNK-UHFFFAOYSA-N 356.422 4.100 0 40 FIAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 21596350 QWZUUQZCQIAHFX-UHFFFAOYSA-N 357.410 4.103 0 40 FIAB Cc1ccccc1COC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 22067096 USOAMNWNZIFJFR-SFHVURJKSA-N 359.853 4.146 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC[C@H](c1ccccc1)N(C)C 22787598 CXOWQXAKORYSFI-JOCHJYFZSA-N 366.484 4.021 0 40 FIAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 23156872 GTIZUONOURJNBM-ZQIUZPCESA-N 370.522 4.181 0 40 FIAB C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)N(C)C 26568114 FIMSWLALFLHTCT-SNVBAGLBSA-N 361.467 4.066 0 40 FIAB C[C@@H](Oc1cccc2ccccc12)C(=O)NC1CC(C)(C)NC(C)(C)C1 28227170 YAPPSRAZKHCZNB-OAHLLOKOSA-N 354.494 4.033 0 40 FIAB CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)CO 29045446 XQBHBEXBUZDCRY-FFXVNFNPSA-N 352.515 4.472 0 40 FIAB endogenous,in-man O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(Cl)cc(Cl)c1 30656926 JATOLSUPPGTADR-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB COc1ccc(NC(=O)Cc2ccc(C)cc2)cc1OCc1ccncc1 32922914 JSHOOHYXXKOMSE-UHFFFAOYSA-N 362.429 4.159 0 40 FIAB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 35648775 GVQJJJYGHRRUMG-MFYHJKBNSA-N 363.504 4.265 0 40 FIAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(C3CCCC3)c(=O)c12 35672958 KTHPLDVNKPISDB-UHFFFAOYSA-N 353.447 4.134 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(C)c2)cc1Cl 36621048 JOWGCFOQAKUIFH-QGZVFWFLSA-N 365.882 4.183 0 40 FIAB O=C(C1CCC1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 36676404 OHZQRBKUYCIHDK-UHFFFAOYSA-N 359.401 4.303 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc2ccc(Cl)cc2[nH]1 40079919 FDDWOBYCDHLSHE-UHFFFAOYSA-N 367.836 4.310 0 40 FIAB CSc1ccc([C@H](CNC(=O)C(C)C)N2CCc3sccc3C2)cc1 40108570 GGZJRJRVWCMSIC-SFHVURJKSA-N 374.575 4.342 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCC(C)C)c(C)c3cc12 40310267 XFKVJLPLZDMYRD-UHFFFAOYSA-N 355.434 4.169 0 40 FIAB biogenic Cc1noc(C)c1CN(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl 43037937 YILFBAPHBOCZKY-LLVKDONJSA-N 357.237 4.024 0 40 FIAB CCc1c(C)nc(SCc2nc(-c3cccc(C)c3)oc2C)[nH]c1=O 45924908 YFXURAQWKPWXLS-UHFFFAOYSA-N 355.463 4.205 0 40 FIAB COCc1cccc(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)c1 47409263 FNRBRDATPWZMPQ-UHFFFAOYSA-N 353.397 4.027 0 40 FIAB Cc1cc(C)n(-c2cccc(NC(=O)N3CCc4sccc4C3)c2)n1 48236463 DPSSREUMSAJIAK-UHFFFAOYSA-N 352.463 4.141 0 40 FIAB O=C(Nc1ccccc1NCC(F)(F)F)c1ccc2c(c1)OCCCO2 48302411 GROZHIDYAQEEGO-UHFFFAOYSA-N 366.339 4.074 0 40 FIAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nc(C2CC2)no1 48365333 UHLRVYFXAWGRPH-SNVBAGLBSA-N 373.507 4.379 0 40 FIAB CNc1nc2c(s1)[C@H](c1ccc(F)c(Br)c1)CC(O)=N2 49550309 HDZRDPIDSKZBRO-ZETCQYMHSA-N 356.220 4.210 0 40 FIAB Cc1cccc(-c2nnc([C@@H](C)N(C)Cc3ccc4c(c3)OCCO4)o2)c1 49967762 RQKQUBRTXQAHMJ-OAHLLOKOSA-N 365.433 4.009 0 40 FIAB COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2Cl)cc1F 52710478 AUVDOYHXLWKCSV-NWDGAFQWSA-N 350.821 4.166 0 40 FIAB CCN(c1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1)C(C)C 57475885 MZGKMHHKJZDHKC-YWZLYKJASA-N 354.450 4.088 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c(C)c1 65532019 XKUWUVLRNPSSPD-LBPRGKRZSA-N 358.492 4.486 0 40 FIAB C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3c[nH]c(=O)c(Cl)c3)c2)C1 68777309 ORCKUGYXSSUOFL-GUYCJALGSA-N 374.868 4.376 0 40 FIAB CC(C)n1ncc2c1N=C(O)C[C@]21C(=O)Nc2c(Cl)cc(Cl)cc21 72404037 WMSUNOVTDLMCBF-MRXNPFEDSA-N 365.220 4.001 0 40 FIAB Cc1cccc(NC(=O)CCNC(=O)Cc2coc3cc(C)c(C)cc23)c1 72427603 SSBIQHJCGRDFLU-UHFFFAOYSA-N 364.445 4.046 0 40 FIAB Cc1ccsc1[C@H](O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 75155254 BRINALFJULEVJB-MRXNPFEDSA-N 363.910 4.372 0 40 FIAB C[C@@H](CNC(=O)c1cc(Cl)ccc1F)c1nc(-c2ccccc2)no1 89953736 DFWSIFPNCHHQOI-NSHDSACASA-N 359.788 4.063 0 40 FIAB Cc1cc(-c2noc(C3CCNCC3)n2)cc(C)c1OCc1ccccc1 95095376 HHFNJWJIFQYYGD-UHFFFAOYSA-N 363.461 4.399 0 40 FIAB O=C(c1ccc(-c2cccs2)cc1)N1C[C@@H]2CNC[C@H]2c2ccccc21 96157007 SXLZOEUGHZXZSO-PKOBYXMFSA-N 360.482 4.379 0 40 FIAB Cc1ccc(CN2CC[C@@]3(CCCN(CC4CCOCC4)C3)C2)cc1C 96215473 DJBYPZNCSZWCHH-HSZRJFAPSA-N 356.554 4.018 0 40 FIAB O=C1/C(=C\NC2CCCC2)c2ccccc2C(=O)N1c1ccccc1Cl 102256343 FCFRXEGSVVNULW-LGMDPLHJSA-N 366.848 4.400 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)cc1 216455116 BXWCOJITEJPYRM-SFHVURJKSA-N 355.434 4.276 0 40 FIAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCCCCC2)c1 222855907 MCNRYOQZLLAYCX-HKWRFOASSA-N 366.461 4.198 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)s1 223521876 KVLHPRSGKXEQIC-ROUUACIJSA-N 366.515 4.019 0 40 FIAB C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccccc3Cl)cn2)C1 223934937 DLLQRMWZWKQSCT-CQSZACIVSA-N 374.941 4.458 0 40 FIAB O=C(COc1cccc2ccccc12)NCCOc1ccccc1Cl 224257840 ZVNCUOHZVPKZCB-UHFFFAOYSA-N 355.821 4.067 0 40 FIAB Cc1ccc(-c2nnsc2C(=O)N[C@H](C)CCc2ccccc2)cc1 225776482 CAULOJQBNFGPLZ-OAHLLOKOSA-N 351.475 4.265 0 40 FIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225826444 CDWOJXZGEBDGSQ-FQEVSTJZSA-N 365.470 4.186 0 40 FIAB Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2Cc2cncs2)n1 257238718 HMFYEHDOJLQJPF-QGZVFWFLSA-N 366.494 4.107 0 40 FIAB O=C(NCCc1ccc(-c2ccoc2)s1)c1ccc(C(F)(F)F)nc1 390831066 PKAASKSTKPPPMQ-UHFFFAOYSA-N 366.364 4.394 0 40 FIAB CCOc1ccc(-c2ccc(OC(=O)c3ccccc3Cl)nn2)cc1 408531680 WOIHDJYKTXXQGY-UHFFFAOYSA-N 354.793 4.415 0 40 FIAB CCn1c(COc2ccc(Cl)cc2)nnc1Sc1ccc(C=O)o1 408553170 OPOMQBZQDCWABQ-UHFFFAOYSA-N 363.826 4.087 0 40 FIAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(C)c4)c3)C(=O)[C@@H]2C1 408681389 JFZZKXJCEBEYSR-VQTJNVASSA-N 374.440 4.093 0 40 FIAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2CC(C)C)cc1 409097907 OUXBDBNYLUSPLS-UHFFFAOYSA-N 368.506 4.476 0 40 FIAB O=C(c1cc(Cl)sc1Cl)N1CC[C@@H](n2cnc3ccccc32)C1 575617928 SMNYUANDAFPNFT-SNVBAGLBSA-N 366.273 4.492 0 40 FIAB CC(C)N1Cc2ccccc2C2(CCN(C(=O)c3cccs3)CC2)C1 585105728 IBTQDLOZQDDZEI-UHFFFAOYSA-N 354.519 4.146 0 40 FIAB O=C(CCSc1ccccc1)NCC1(c2ccsc2)CCOCC1 1565519444 SVUVPNNSDLIRHQ-UHFFFAOYSA-N 361.532 4.095 0 40 FIAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1Br 829591 ZDLFMEYRUYEPOP-ZROIWOOFSA-N 362.610 4.447 0 40 FIAB CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 879747 GUZWTJDZMTXEAZ-UHFFFAOYSA-N 373.430 4.027 0 40 FIAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(F)cc1 954936 AQDOYZZEPDCPFT-KRXBUXKQSA-N 368.191 4.328 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCCCC1 2656712 FQNSBPIZJCGCDU-UHFFFAOYSA-N 356.388 4.061 0 40 FIAB OCCCNc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2662376 CBPPTUUEIVBCEA-UHFFFAOYSA-N 359.882 4.295 0 40 FIAB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2F)c1 3404373 SCMVTQSRLIRAQR-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1cncc(Br)c1 3538462 QRSGLSBDIFXRHT-UHFFFAOYSA-N 367.246 4.364 0 40 FIAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCC)cc3)sc2c1 4275340 YDPJCMKTDZFXRT-UHFFFAOYSA-N 370.430 4.124 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 4998820 YMNLXYPYDNUPOM-HNNXBMFYSA-N 354.450 4.284 0 40 FIAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2Cl)CC1 5450710 XBNIPVYKYZOGNM-UHFFFAOYSA-N 371.912 4.351 0 40 FIAB CC1(C)N(O[C@@H]2CCCCO2)[C@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] 5836721 GAMOJAJDLUVODK-TZIWHRDSSA-N 366.461 4.237 0 40 FIAB CC(C)c1ccc(NC(=S)N2CCN(c3ccccc3O)CC2)cc1 6387229 LQVCTHHTLXVQRN-UHFFFAOYSA-N 355.507 4.035 0 40 FIAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc21 6623643 DZJJVJAFMUXCTQ-UHFFFAOYSA-N 374.897 4.472 0 40 FIAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)N(C)Cc3cccc(F)c3)nc2c1 6972224 QRBQXGGUXGASCT-ZDUSSCGKSA-N 357.454 4.150 0 40 FIAB C[C@H](Sc1nc(-c2ccccc2)cn1N)c1nnc(-c2ccccc2)o1 7286825 HXOWZKNFQLROGD-ZDUSSCGKSA-N 363.446 4.167 0 40 FIAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(C)n1C1CC1)c1ccccc1 7618050 VPHGNIBYYBGLFA-DYVFJYSZSA-N 358.511 4.060 0 40 FIAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 7735035 BKAJDSFKXLDZSX-LLVKDONJSA-N 357.759 4.443 0 40 FIAB Cc1ccc(SCCNC(=O)c2c(-c3ccccc3)noc2C)cc1 8768653 BUAOOAMYIVEDJX-UHFFFAOYSA-N 352.459 4.481 0 40 FIAB COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)cc1 8770064 XCXVAQHENAMASK-UHFFFAOYSA-N 367.474 4.433 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(C)c2O)[nH]n1 8973602 YIJOTKVSQNTIQN-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 9107053 HHOAXVPHAOUGSV-UHFFFAOYSA-N 366.461 4.415 0 40 FIAB Cc1cccc(OCCNC(=O)N(Cc2ccco2)Cc2cccs2)c1 9869495 LKDCRQNIRJFGCG-UHFFFAOYSA-N 370.474 4.440 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(C)c2)cc1F 10750514 ZJSPXHXLWOJBMA-OAHLLOKOSA-N 369.440 4.008 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1 10925577 UASFYBGYDFFOMU-LBPRGKRZSA-N 358.825 4.095 0 40 FIAB CN(C)c1ccc(CCCNC(=O)c2cccc(C(F)(F)F)c2)cc1 11693641 ZCUFGNMGXKXSJT-UHFFFAOYSA-N 350.384 4.134 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)c2cccc(OCC)c2)cc1 12062628 UDLGBDHUAPWNPL-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB COc1ccccc1CNc1ncc(-c2cc(C)no2)c(-c2ccoc2)n1 12252244 AYZYCGGWGKTBBN-UHFFFAOYSA-N 362.389 4.321 0 40 FIAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(Nc4ccccc4)cc3)cc12 12537618 UCUNEWCAYCAZKW-UHFFFAOYSA-N 357.417 4.273 0 40 FIAB COc1ccc2cc(COC(=O)Cc3ccc(F)cc3)c(Cl)nc2c1 12929145 RNDJRPXAXAXNDB-UHFFFAOYSA-N 359.784 4.322 0 40 FIAB COc1ccccc1NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14167998 LOHKIOPBZDQSKN-KRWDZBQOSA-N 368.433 4.226 0 40 FIAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(Cl)c1 15413767 NBUGQBCFHIHUIM-SFHVURJKSA-N 358.869 4.432 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C)c2)o1 15881374 PMNIUBBKBBRFLE-UHFFFAOYSA-N 360.417 4.201 0 40 FIAB O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1ccccc1F 16700725 PWAJCYDEIXHDDA-UHFFFAOYSA-N 363.314 4.342 0 40 FIAB CC1CCN(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)CC1 18168937 VSEKSBOHKPQWBK-UHFFFAOYSA-N 359.461 4.114 0 40 FIAB Cc1ccc(OCc2nc(C(=O)N3CCc4ccccc43)cs2)cc1 18229736 VZJUKXYGXMSNFS-UHFFFAOYSA-N 350.443 4.233 0 40 FIAB CNc1cc([C@@H]2CCCN(Cc3cccc(C)c3)C2)nc(-c2cccnc2)n1 19234979 WGJHTUZEMVLXOF-HXUWFJFHSA-N 373.504 4.268 0 40 FIAB O=C(Nc1cccc(Cn2cccn2)c1)[C@H](c1ccccc1)N1CCCCC1 19659670 SKCLQKSIVCTTOH-QFIPXVFZSA-N 374.488 4.097 0 40 FIAB O=S(=O)(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccccc1 22608982 DAYJRWXNUOOFRL-UHFFFAOYSA-N 365.760 4.082 0 40 FIAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(c2ccc(O)cc2)CC1 23016554 GKOAZHNRUSCCCB-CQSZACIVSA-N 372.419 4.020 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c(C)s1 24432608 PSJAMSXXVKSQIN-UHFFFAOYSA-N 366.508 4.150 0 40 FIAB COc1ccc(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)cc1 27664102 RMDVFSGRPXXGQM-UHFFFAOYSA-N 367.405 4.032 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1cccc(N2CCCC2=O)c1 28912149 CVDICBJJIUGPIA-INIZCTEOSA-N 365.477 4.376 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 30029421 XDBXOPBQVMVUPU-HNAYVOBHSA-N 374.937 4.336 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 30756328 BJLMUBABKIXWGA-MGPUTAFESA-N 357.450 4.129 0 40 FIAB CCOc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1OCC 31032151 PYOZMNSUAUGKJY-UHFFFAOYSA-N 363.797 4.118 0 40 FIAB O=C(NCCCCOc1ccccc1)c1csc(-c2ccsc2)n1 31586821 ZPELIRFPOKQSRB-UHFFFAOYSA-N 358.488 4.461 0 40 FIAB C[C@H](OCC(F)(F)F)C(=O)NCC(C)(c1ccccc1)c1ccccc1 31711502 NKZCMGAYCODXGH-HNNXBMFYSA-N 365.395 4.076 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(OCc2cccs2)c1 32632779 ISKKYXVDCYXYKP-UHFFFAOYSA-N 353.399 4.308 0 40 FIAB O=C(CCc1cccc(Cl)c1Cl)NCCc1ccc2c(c1)OCO2 32924209 WDKMVMBLQWLIGY-UHFFFAOYSA-N 366.244 4.014 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(C)oc2C)c1 32995966 WCEPKJPRUMOIJT-UHFFFAOYSA-N 364.401 4.410 0 40 FIAB Cc1cnc(NC(=O)CCCCCn2sc3ccccc3c2=O)s1 36358898 MUSPVFTZQSUZBD-UHFFFAOYSA-N 361.492 4.027 0 40 FIAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1c(F)cccc1F 37170361 ARAKTYQXLUAVPO-LLVKDONJSA-N 351.374 4.093 0 40 FIAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 39742248 MAXWOMVJCAFHSC-AWNIVKPZSA-N 354.475 4.345 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)Nc1ccc2ccccc2n1 40130904 KDHJLPPCZGDUBB-UHFFFAOYSA-N 374.419 4.358 0 40 FIAB COc1ccc2c(c1)CCCN2C(=O)c1cc(C2CC2)nn1C(C)(C)C 40132099 CCEYGRXXBIAWMU-UHFFFAOYSA-N 353.466 4.117 0 40 FIAB Cc1ccccc1CS[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 41104826 LLEZGBCKYBESPW-SFHVURJKSA-N 370.518 4.271 0 40 FIAB CCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078498 NCJCSCWSERISPC-UHFFFAOYSA-N 350.462 4.118 0 40 FIAB Cc1cc(NC(=O)c2cc(-c3cccs3)[nH]n2)ccc1Br 51315680 FEACPDIJPQHTHR-UHFFFAOYSA-N 362.252 4.461 0 40 FIAB Cc1cccc(-c2ncc([C@H]3CC(=O)Nc4c3c(C)nn4C(C)C)cn2)c1 65499100 MJJGCMLFMKXDSP-QGZVFWFLSA-N 361.449 4.012 0 40 FIAB CC(C)(C)c1nc([C@@H](Cc2ccccc2)C(=O)O)n(Cc2ccccc2)n1 72233819 FVATVXHMWLVYKH-GOSISDBHSA-N 363.461 4.035 0 40 FIAB CCN(C(=O)c1cccc(C(=O)OC)c1)[C@@H](Cc1ccc(F)cc1)C(C)C 72303431 NMVCUOWVCKBYPY-FQEVSTJZSA-N 371.452 4.342 0 40 FIAB Cc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c3ccccc3c2=O)cc1 72332540 KQFSNPQRAKRHKW-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB CCn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72358234 SUCNJNVDEMNAQG-OAQYLSRUSA-N 364.468 4.365 0 40 FIAB COc1ccc(C[C@@H](C)N(C)C(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1 84274904 JJIOTQKATJSMIV-CYBMUJFWSA-N 369.490 4.158 0 40 FIAB CCc1cccc(C)c1NCc1noc([C@@H]2COc3ccccc3O2)n1 86199208 VRMQBQUKMXKQIF-KRWDZBQOSA-N 351.406 4.065 0 40 FIAB Cn1c(CNc2ccc(OC(F)F)c(Cl)c2)nnc1-c1ccccc1 89741452 JPLLBAFFMMLFMW-UHFFFAOYSA-N 364.783 4.349 0 40 FIAB Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)c(C)o1 96119071 AAJGARAUZSMBTR-CYBMUJFWSA-N 357.435 4.028 0 40 FIAB Cc1cccc(-c2nnc(CN(Cc3cccs3)C[C@H]3CCCO3)o2)c1 96982026 QIPSHHNQDZHCJW-QGZVFWFLSA-N 369.490 4.288 0 40 FIAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Oc3ccc(Cl)cc3)cc1)[C@H]1C=C[C@H]2C1 100554715 KXPCTCPHKOGHBC-OYUDYFSCSA-N 365.816 4.444 0 40 FIAB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 100664019 LKEHHQUMGGWURZ-VXAPCQRLSA-N 371.436 4.345 0 40 FIAB COc1ccccc1CN(Cc1cccnc1)C(=O)C1[C@@H]2CCCC[C@@H]12 100773627 AWUPXPWPHACSGA-RTBURBONSA-N 350.462 4.055 0 40 FIAB COc1ccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)cc1C 101014087 ODTVOFRWWQHWTL-OAHLLOKOSA-N 360.251 4.069 0 40 FIAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C(=O)C[C@@]2(C)C1 118914878 XJADJSSOKJQZDB-NTLBLSRSSA-N 360.494 4.099 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1Br 119873474 IHIPKLWOHZBHAB-AWEZNQCLSA-N 352.203 4.384 0 40 FIAB O=C(COc1ccccc1Cl)NCCSCc1ccccc1Cl 218845677 CRFYCPKXJSUOJU-UHFFFAOYSA-N 370.301 4.422 0 40 FIAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc2c(c1)OCO2 222653627 NQWYHYURQOJLOV-KRWDZBQOSA-N 367.445 4.075 0 40 FIAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1C(C)C 223291060 LWOXGJBYNNDUPR-YCRPNKLZSA-N 369.461 4.144 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)[nH]1 224449780 CJSSYFGPPFANSM-QZTJIDSGSA-N 352.438 4.034 0 40 FIAB Cc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C 224708940 KGXUMDPCWOXYBX-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(C)cc1C 225341993 OLFLUQZAMWRDCV-CYBMUJFWSA-N 353.871 4.005 0 40 FIAB CCCCCC(=O)NC(=S)Nc1ccc(-c2ccc(C(=O)O)o2)c(C)c1 226351481 GYRRZXICHLLGSR-UHFFFAOYSA-N 374.462 4.347 0 40 FIAB NC1=N[C@H]([C@@H](O)c2ccccc2)[C@@H](c2ccc(Cc3ccccc3)cc2)S1 253578319 YERVHPOPRCNVGW-BHIFYINESA-N 374.509 4.482 0 40 FIAB Cc1ccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)cc1 409168469 MRIIQQWVXQFNCH-UHFFFAOYSA-N 369.446 4.040 0 40 FIAB COc1cc(OC)cc([C@H](C(=O)O)N2C[C@@H](c3ccccc3C)C[C@H]2C)c1 565105825 OCBGAKJHVIAQTK-LDBYXDLTSA-N 369.461 4.016 0 40 FIAB CCOc1ccc(C(C)(C)C(=O)N2CCCc3occc3C2)cc1OCC 569765346 DDECBYIPKQRKTP-UHFFFAOYSA-N 371.477 4.330 0 40 FIAB Cc1cc(C)n(CCCC(=O)Nc2cccc3c2CN(CCC(C)C)C3)n1 1264929282 GKEDETYYUPBSHK-UHFFFAOYSA-N 368.525 4.281 0 40 FIAB COc1ccc(Cl)cc1CCNC(=O)c1ccc(C(F)(F)F)cc1 1321756956 CGKGLWXKNRRXSV-UHFFFAOYSA-N 357.759 4.340 0 40 FIAB O=C([C@H]1CCc2cc(F)ccc21)N1CCOc2ccc(C(F)(F)F)cc21 1515643960 KGCKTTJFRWVJDD-HNNXBMFYSA-N 365.326 4.300 0 40 FIAB Cc1cccnc1C(=O)N1CCC[C@]12CN(c1cccc(F)c1)C(C)(C)C2 1615129905 XKELZQDTWWETAL-QFIPXVFZSA-N 367.468 4.193 0 40 FIAB Cc1ccc(OCC2(O)CCN(C(=O)c3ccccc3Cl)CC2)cc1C 2037915945 CYNYJPWAVJXKPG-UHFFFAOYSA-N 373.880 4.003 0 40 FIAB O=C(c1cccc(C(=O)N2CCc3ccccc32)c1)N1CCc2ccccc21 663214 UVIXZCDYESBLDI-UHFFFAOYSA-N 368.436 4.092 0 40 FIAB Cc1ccc(C)c(N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1 1452700 ONISXQLESAQDDB-AWEZNQCLSA-N 361.656 4.435 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)c(C)c1 2398331 AUQSEEPYZOMWBO-UHFFFAOYSA-N 374.835 4.400 0 40 FIAB c1nc(Oc2ccc(-c3nnco3)cc2)c2c3c(sc2n1)CCCC3 3309663 DXROPCFIBPLBSO-UHFFFAOYSA-N 350.403 4.412 0 40 FIAB O=C(OCc1cccc2ccccc12)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 3412547 XGFZREVCBLLZEV-OAQYLSRUSA-N 372.424 4.118 0 40 FIAB CCCCCOc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 3765116 GBXXFOGDRGEMNO-LJQANCHMSA-N 355.434 4.201 0 40 FIAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(F)cc2)CSC3)cc1 3893212 KMLRMGLQCDLDQV-UHFFFAOYSA-N 353.422 4.319 0 40 FIAB O=C(Oc1cccc(OC(=O)c2ccccc2F)c1)c1ccccc1F 3896261 XLVVJSPFNRFFNG-UHFFFAOYSA-N 354.308 4.403 0 40 FIAB c1ccc(-c2csc(Nc3nc4cc5c(cc4s3)OCO5)n2)nc1 4061307 SHGZXMJKDIJLNC-UHFFFAOYSA-N 354.416 4.287 0 40 FIAB Clc1cccc(CSc2ccc3nnc(-c4ccncc4)n3n2)c1 4328136 XQQWJKNWJLSGGC-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 4846776 HZTOBULOACVYDA-MGPUTAFESA-N 369.436 4.130 0 40 FIAB COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCC3)cc1 4892113 DTPBZVOYBGUORP-UHFFFAOYSA-N 364.470 4.238 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1 4978232 DTJDKQFXPAKIBQ-KLHKWILBSA-N 357.494 4.360 0 40 FIAB CCOc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1 5047073 NDAWMGUSZCGPJZ-UHFFFAOYSA-N 370.865 4.355 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)CCN1C(=O)CSc2ccccc21 5404086 FMLPUHBVSJWTLC-UHFFFAOYSA-N 360.866 4.116 0 40 FIAB O=C1CN(C(=O)CSc2c(Cl)cccc2Cl)c2ccccc2N1 6000253 DOFHEFKWWYQQJN-UHFFFAOYSA-N 367.257 4.071 0 40 FIAB COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 6247934 RIOOOOKDHKASTG-UHFFFAOYSA-N 374.868 4.356 0 40 FIAB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2cccc(F)c2F)CC(=O)N1 6820041 PXSRXBKNWMEKJI-OAHLLOKOSA-N 363.404 4.108 0 40 FIAB CCN1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 6953198 BATSXDRCTNUYTL-KNTRCKAVSA-N 354.881 4.045 0 40 FIAB COc1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1O 7488498 MEMLKXRHQWSVFT-CSKARUKUSA-N 368.458 4.138 0 40 FIAB c1ccc2c(-c3nnc(SC[C@H]4CCCCO4)n3C3CC3)c[nH]c2c1 7790273 IYDJJRZGCNIUJX-CQSZACIVSA-N 354.479 4.423 0 40 FIAB COc1ccc(-c2noc(CSc3nc4ccccc4o3)n2)c(OC)c1 8290243 HSVZYGRABMUMCP-UHFFFAOYSA-N 369.402 4.187 0 40 FIAB COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl 8535056 KNSPZFJNLZCRIN-GFCCVEGCSA-N 370.276 4.051 0 40 FIAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)c1ccc(F)cc1 8770586 UYFSJKQKFGEPDN-GFCCVEGCSA-N 368.437 4.178 0 40 FIAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCC3CCCC3)cc21 8959419 LCWIVVAAEPTZTQ-UHFFFAOYSA-N 358.482 4.367 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2ccsc12 9478058 YQIDOZSMYBTYKK-UHFFFAOYSA-N 365.867 4.084 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccs3)n2)c(F)c1 9591314 UNPAETXUWJBSBE-UHFFFAOYSA-N 361.423 4.221 0 40 FIAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(Cl)c1Cl 9709728 ZQSHAYQHBBOPQE-UHFFFAOYSA-N 374.231 4.234 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 10078482 YMDUJLQGYUHZAL-UHFFFAOYSA-N 366.421 4.098 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1OC 11694402 JOWDEXMXRDEDJJ-UHFFFAOYSA-N 369.396 4.061 0 40 FIAB Cc1c(-c2ccccc2)n[nH]c1C(=O)N(C)Cc1cccc2ncccc12 12143826 OLMXIOXWCMCRQM-UHFFFAOYSA-N 356.429 4.206 0 40 FIAB Cc1ccc2c(COC(=O)CCC(=O)c3ccc(C)s3)cc(=O)oc2c1 12778359 IRNHMSZNBRPBQE-UHFFFAOYSA-N 370.426 4.178 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3cc(-c4ccco4)on3)c12 12811289 ADOHBBMUSWYUQT-UHFFFAOYSA-N 365.345 4.014 0 40 FIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1OC 13002395 WKUPTDQNUWPGDZ-INIZCTEOSA-N 370.493 4.286 0 40 FIAB CCc1ccc(NC(=O)[C@@H](C)N(C)CCOc2ccc(Cl)cc2)cc1 13041614 PLSOOBHHNXYRHI-OAHLLOKOSA-N 360.885 4.240 0 40 FIAB Cc1ccccc1-n1nc(C)c2c1N=C(O)C[C@H]2c1ccc(C(=O)O)cc1 13682448 OYBDDVALYQLXLC-INIZCTEOSA-N 361.401 4.311 0 40 FIAB COc1ccc(-n2nc(C)c3c2C[C@H](c2ccccc2OC)CC3=O)cc1 14164268 STFIAZNDEKUDSQ-HNNXBMFYSA-N 362.429 4.111 0 40 FIAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 15028471 JURJRQHAQIYCBK-LLVKDONJSA-N 351.855 4.477 0 40 FIAB Cc1csc(-c2ccc(OS(=O)(=O)c3ccc(F)cc3F)cc2)n1 15359224 JODWJNHXUHPLJF-UHFFFAOYSA-N 367.398 4.164 0 40 FIAB Cc1ccoc1C(=O)O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 16416800 NEXFEVIZAJELLV-ZDUSSCGKSA-N 357.406 4.001 0 40 FIAB C[C@H](OC(=O)c1occc1-c1ccccc1)C(=O)Nc1ccc(F)cc1F 16538103 GBCLJEKJWQSION-LBPRGKRZSA-N 371.339 4.409 0 40 FIAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(C(C)C)cc1 16682509 ALZIHRRTMXKESM-FQEVSTJZSA-N 364.445 4.138 0 40 FIAB Cc1cc(-c2csc(NC(=O)CCCn3ccnc3C)n2)ccc1F 19570843 UQCUULWFHJKAGH-UHFFFAOYSA-N 358.442 4.181 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 20112297 VJLDJIIGARXREO-INIZCTEOSA-N 355.434 4.358 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2C)c(C)c1 20461016 SQJZLMDJBHHIDF-INIZCTEOSA-N 355.434 4.195 0 40 FIAB Cc1ccccc1Nc1nc(NCCc2ccccc2)nc2c1cnn2C 21873552 BXPWLRJUOZHGTI-UHFFFAOYSA-N 358.449 4.070 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 26895959 QLTYFWYGAVQLQY-UHFFFAOYSA-N 372.509 4.061 0 40 FIAB O=C(CCc1cccc(Cl)c1Cl)Nc1nnc(C(F)(F)F)s1 32638607 LNHICUJQYRKFIC-UHFFFAOYSA-N 370.183 4.435 0 40 FIAB COc1ccc(OC)c(NC(=O)CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 32777602 SYTLVTBJJGIJSL-GOSISDBHSA-N 374.868 4.133 0 40 FIAB CCN(CC)CCOc1ccccc1NC(=O)c1ccc2ccccc2n1 36395551 PRDWWXYOJIISQD-UHFFFAOYSA-N 363.461 4.208 0 40 FIAB CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38834297 LTVHZMCCZHWTKY-KRWDZBQOSA-N 356.441 4.075 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3c(C(=O)O)cn(-c4ccccc4)c32)c1 40309395 UMKGYDIFTOCUSY-MRXNPFEDSA-N 362.385 4.308 0 40 FIAB biogenic O=C(Cn1ccc2ccc(F)cc21)Nc1nnc(C2CCCCC2)s1 44901900 DFZPYYPDCXXSRH-UHFFFAOYSA-N 358.442 4.318 0 40 FIAB CC(C)C[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1nc2ccccc2[nH]1 48109742 RULUWPDKURFWCC-JXFKEZNVSA-N 365.477 4.372 0 40 FIAB CCN1CCC(N(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C2CC2)CC1 48264274 GACAZAGHXDTHBF-XBXARRHUSA-N 367.320 4.482 0 40 FIAB Cn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(=O)c2ccccc21 57354814 FALLYKQBUJSYTB-UHFFFAOYSA-N 371.318 4.274 0 40 FIAB CC(C)[C@H](SC1=Nc2ccccc2CS1)C(=O)NCc1cccnc1 58192862 LYEIHMVUAJQBQI-KRWDZBQOSA-N 371.531 4.390 0 40 FIAB COc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)ccc1NC(C)=O 58356874 RLDQSMMVRUIYTC-LSDHHAIUSA-N 358.825 4.049 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(C)ccc2C)cc1 72238459 DSHRGUWDGMYFCM-FQEVSTJZSA-N 350.462 4.109 0 40 FIAB O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)c(Cl)c1 72414267 GKTHDLQNXSNGHR-UHFFFAOYSA-N 353.230 4.342 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 73320625 DXJRDNCIPRBDNV-BETUJISGSA-N 368.399 4.235 0 40 FIAB COc1ccccc1[C@H](C)CNC(=O)c1cnc(-c2ccsc2)s1 95958525 JMTGQGQTVBIPFO-GFCCVEGCSA-N 358.488 4.414 0 40 FIAB Cc1nnc2ccc(C(=O)N(C3CC3)[C@@H](C)c3ccccc3Cl)cn12 101812348 VQOCITRQOGBHFM-LBPRGKRZSA-N 354.841 4.057 0 40 FIAB COC(=O)c1cnn2c1N=C1CCCC(O)=C1[C@H]2c1ccc(SC)cc1 102838304 WQGIWRNLYZICOO-QGZVFWFLSA-N 369.446 4.063 0 40 FIAB COc1ccc([C@H](O)[C@@H](C)NC(=O)[C@H](C)c2ccc3ccccc3c2)cc1 108487515 BDHNDRPCLZIBDU-XCGNWRKASA-N 363.457 4.190 0 40 FIAB CCOC(=O)c1ccc(OCc2ccccc2F)c(Br)c1 216818314 OOJUERJKJRFCKW-UHFFFAOYSA-N 353.187 4.344 0 40 FIAB COc1cc2ccccc2cc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 219396118 GCVCXLWSDVFMLH-UHFFFAOYSA-N 373.412 4.171 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1C 223342282 AMSPMNYVYTVBSY-UHFFFAOYSA-N 360.262 4.420 0 40 FIAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 223746017 QHIBQOCGSHPOMB-ZWKOTPCHSA-N 367.499 4.329 0 40 FIAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2C)cc1 224197863 HWVHDYQHJDMRJU-VQTJNVASSA-N 362.502 4.214 0 40 FIAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 224387881 TXDRQTWSYTZPQJ-QZTJIDSGSA-N 353.422 4.299 0 40 FIAB CC(C)CSc1nnc(NC(=O)CSCc2ccc(F)cc2)s1 224744081 JFGHISUQGNHYEC-UHFFFAOYSA-N 371.528 4.297 0 40 FIAB Cc1ccc(OCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)c1 224991731 MCKMCYCGABZVGH-UHFFFAOYSA-N 361.869 4.309 0 40 FIAB Cc1ccc(C(=O)Nc2c(F)cccc2F)c(I)c1 225020332 HLKFRCUUXMNPRX-UHFFFAOYSA-N 373.140 4.130 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 225102450 JUDOKMJISTVXBH-UHFFFAOYSA-N 356.447 4.122 0 40 FIAB Cc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 225400704 MRIXKQNAJQHADY-QFIPXVFZSA-N 359.425 4.286 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCc2ccc(F)cc2)ccc1Cl 225444939 GMKARUCTZGUYDC-UHFFFAOYSA-N 366.845 4.142 0 40 FIAB CCOc1ccccc1NC(=S)NCc1ccc(-n2ccnc2C)cc1 225456487 OWKHQYMVMXZYNY-UHFFFAOYSA-N 366.490 4.066 0 40 FIAB Cc1cc(N2CCCCCC2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225963135 APFZGHXYPGAKAM-MRXNPFEDSA-N 369.538 4.213 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cc(C)ccc2-c2ccc(C(=O)O)o2)cc1 226353584 RBVMLPNIYFAZIT-UHFFFAOYSA-N 371.414 4.062 0 40 FIAB CCCCOc1ccc(NC(=O)CN2CCC3(CC2)COC(C)(C)C3)cc1 257311055 UHTBBSVXANEXMB-UHFFFAOYSA-N 374.525 4.085 0 40 FIAB COc1cccc(NC(=O)NCCc2ccc(-c3ccoc3)s2)c1OC 390830112 IUADHJVLOUJQMA-UHFFFAOYSA-N 372.446 4.390 0 40 FIAB O=C(c1ccc(F)cc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408610647 QYDYPWJIRBWFFX-UHFFFAOYSA-N 366.480 4.344 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 408626500 HQPHIHJKEHMKMD-CYBMUJFWSA-N 372.490 4.344 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 409336345 NSJJBXJMCAEZOV-ATZDWAIDSA-N 372.509 4.043 0 40 FIAB O=C1CC[C@@]2(CCCN(CCc3ccccc3)CC2)N1Cc1ccccc1 585100327 KFEGGRCSPVSPKG-XMMPIXPASA-N 362.517 4.276 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1 857414 JLMUTCVWRPPTPW-UHFFFAOYSA-N 360.822 4.374 0 40 FIAB CCn1c(-c2ccccc2)nn(CN2CCc3ccccc3C2)c1=S 1425951 QKMHKHIOKNVQDW-UHFFFAOYSA-N 350.491 4.117 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc(C)c1Cl 1787282 WJINWPVRGYTXGG-CYBMUJFWSA-N 361.825 4.134 0 40 FIAB CC(=O)Oc1cccc(C(=O)Oc2c(C(C)=O)sc3ccccc23)c1 2279565 IHRBMBVDXHPYII-UHFFFAOYSA-N 354.383 4.248 0 40 FIAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 2410524 YGDMLYSMCCYEAB-CYBMUJFWSA-N 360.417 4.111 0 40 FIAB COc1ccc(Cl)cc1C(=O)OCC(=O)c1c(C)[nH]c2ccccc12 2640482 YRHSMLBABUAUGL-UHFFFAOYSA-N 357.793 4.178 0 40 FIAB COc1ccc(-n2nnc(C(=O)Nc3cc(C)ccc3C)c2C)cc1Cl 2699051 HJMADWWRXYEMBR-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB COc1ccc(-c2c/c(=N\[C@@H](C(=O)O)C(C)C)c3ccccc3o2)cc1 3372728 DPHFPKJORWVMRC-LCMCWVSWSA-N 351.402 4.118 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)c1ccccc1I 3556194 ZFMPKBUVPRCFKF-UHFFFAOYSA-N 363.198 4.032 0 40 FIAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc4c(c3)CCCC4)nc2C1 4088345 PLRGFZFQTJTPOR-UHFFFAOYSA-N 354.475 4.429 0 40 FIAB COC(=O)c1scc(C)c1NC(=O)COc1c(Cl)cccc1Cl 4105315 XYJHRWXEVVVVDK-UHFFFAOYSA-N 374.245 4.167 0 40 FIAB COc1cccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)c1 4154556 SXGOLTFJEJOMHH-UHFFFAOYSA-N 351.402 4.338 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 4685281 RANDEKJZOAPQMH-UHFFFAOYSA-N 359.838 4.331 0 40 FIAB CCC[C@@H](C)C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC 4699942 QSEUIUYKRJPQNK-CQSZACIVSA-N 370.449 4.331 0 40 FIAB Cc1occc1-c1nnc2sc(Cc3ccc4c(c3)CCCC4)nn12 4938969 CFDZHJDDTIKQTI-UHFFFAOYSA-N 350.447 4.224 0 40 FIAB COc1ccc(OC)c(NC(=O)c2ccc(-c3csc(C)n3)cc2)c1 5008101 VAOILQSMAYAGPW-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB O[C@]1(C(F)(F)F)[C@@H]2CCCCC2=NN1c1nc(-c2ccccc2)cs1 5274980 QIDGKKNCSDYWRY-WBMJQRKESA-N 367.396 4.427 0 40 FIAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2C)c(C)c1 5652604 AIGPBWHVQLANNL-YOEHRIQHSA-N 372.490 4.007 0 40 FIAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Cl)c2C(N)=O)C1 6119454 IMTBQZOEPQAAAO-SNVBAGLBSA-N 362.882 4.268 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1C 6328779 LIDYBNXXIIHTSS-UHFFFAOYSA-N 361.797 4.359 0 40 FIAB CSCC[C@H](NC(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 6610234 HSPWJPJSOUJSMF-IBGZPJMESA-N 365.502 4.276 0 40 FIAB COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1-c1ccccc1 7419181 GZIHUZFWSIIVKB-UHFFFAOYSA-N 353.443 4.471 0 40 FIAB CCOc1ccc(-c2csc(NC(=O)Cc3ccc(OC)cc3)n2)cc1 7614216 REXFEOZHOXHDGX-UHFFFAOYSA-N 368.458 4.399 0 40 FIAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCSc1ccc(F)cc1 7831639 KZSIFBCJKZQNPB-UHFFFAOYSA-N 369.465 4.152 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCCc2ccccc21 8072954 ICPVQFOLCDWFBW-UHFFFAOYSA-N 359.473 4.401 0 40 FIAB Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)o1 8328047 OYCAMNOVOWNSBL-FNORWQNLSA-N 368.414 4.135 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 8405950 QXCMTXDSKNJNMX-OAHLLOKOSA-N 366.442 4.045 0 40 FIAB COc1cc2c(cc1OC)[C@H](C13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)NCC2 8487182 HSDXWRHEZLIHTH-WVXLQWSJSA-N 361.913 4.468 0 40 FIAB O=C(COc1ccccc1F)N1CCC[C@@H]1c1nc2ccccc2s1 8761813 YREZMKGAKMPJEQ-OAHLLOKOSA-N 356.422 4.178 0 40 FIAB CCOc1ccccc1OCCCn1c(C(C)(C)O)nc2ccccc21 8785999 RJQRKTLDDJZBDS-UHFFFAOYSA-N 354.450 4.132 0 40 FIAB Cc1cccc(CN2CCC(C(=O)NCCSc3ccccc3)CC2)c1 9063008 NBDKGRFDZPNAAG-UHFFFAOYSA-N 368.546 4.116 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 9477049 XYWNPDZLNVIPTM-UHFFFAOYSA-N 358.300 4.224 0 40 FIAB COc1ccc(CC(=O)N2c3c(OC)cccc3C(C)=CC2(C)C)cc1 10157742 SJQVZQZGKOQWDY-UHFFFAOYSA-N 351.446 4.475 0 40 FIAB CCOc1ncccc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 10237093 QORPWVPXHTUBFT-NSHDSACASA-N 361.348 4.143 0 40 FIAB CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 10448968 AAHSXJCUJVAOLA-HNNXBMFYSA-N 361.869 4.439 0 40 FIAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(OC)c1 11462268 XIDXUKHXDZECPE-UHFFFAOYSA-N 370.380 4.069 0 40 FIAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)F)cc1 11511049 CJIPOCAPCBNYDU-UHFFFAOYSA-N 361.266 4.117 0 40 FIAB C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 11550821 SPNOENZVRLGXQH-OAHLLOKOSA-N 363.417 4.092 0 40 FIAB C[C@@H](NC(=O)c1ncoc1-c1ccccc1C(F)(F)F)c1ccncc1 12115185 GNFMRFGRYQWRAU-LLVKDONJSA-N 361.323 4.246 0 40 FIAB Cc1[nH]c2c(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)cccc2c1C 12193106 LRDDYJFGPUCERE-UHFFFAOYSA-N 362.408 4.421 0 40 FIAB COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2ncc(C)s2)s1 12322694 OJCAHPRHGHDWOX-UHFFFAOYSA-N 363.439 4.283 0 40 FIAB Cc1[nH]c2ccccc2c1CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 12390124 MPWUQFWICMJPNU-UHFFFAOYSA-N 361.420 4.224 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 12517307 UQXLJDOATWWLKX-INIZCTEOSA-N 365.477 4.378 0 40 FIAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 12551551 SVILGOMSNMGZIO-KRWDZBQOSA-N 366.509 4.182 0 40 FIAB Cc1ccc(Cl)c(NC(=O)CSc2nc(C(C)C)n[nH]2)c1Cl 12617156 NDKMNFBMGBEVTP-UHFFFAOYSA-N 359.282 4.274 0 40 FIAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCCc2ccccc21 12617263 FAEXUPHCLMJPJU-UHFFFAOYSA-N 361.445 4.024 0 40 FIAB O=C1CCC[C@@H]1Sc1nnc(Cc2cccs2)n1-c1ccccc1 12635457 FXZGZMLXEKPJEH-INIZCTEOSA-N 355.488 4.133 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)cc1 13494928 ZQRHUGMWJAILNV-LBPRGKRZSA-N 371.824 4.280 0 40 FIAB CC(=O)Oc1ccc2cc(-c3ccccc3OC(F)(F)F)c(=O)oc2c1 13691416 DHJMJICWCWZRKK-UHFFFAOYSA-N 364.275 4.284 0 40 FIAB COC(=O)c1ccc(OCc2csc(-c3cccs3)n2)c(OC)c1 14677574 ITMZQZXJMHVOCT-UHFFFAOYSA-N 361.444 4.246 0 40 FIAB COc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 19170260 BUODCYGPOVUFJY-UHFFFAOYSA-N 361.488 4.191 0 40 FIAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)cc1 19209644 XXNNWYXDZJCFTF-OAQYLSRUSA-N 374.488 4.385 0 40 FIAB Cc1ccc(N2C[C@](O)(c3ccc(Cl)cc3)[N+]3=C2CCCCC3)cc1 22408139 HFMJAMHFGNMYMG-NRFANRHFSA-N 355.889 4.299 0 40 FIAB COc1ccccc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 23390657 ZNWMIUOJHVLNRH-UHFFFAOYSA-N 365.433 4.440 0 40 FIAB Cc1ccc([C@H](CNC(=O)COc2ccccc2C)N2CCCCC2)cc1 27662714 LTKKMWRGTJAVBE-NRFANRHFSA-N 366.505 4.026 0 40 FIAB Cc1cccc(C)c1OCC(=O)NC[C@@H](c1cccs1)N1CCCCC1 27741291 CYSXUVHXAYJOHY-SFHVURJKSA-N 372.534 4.087 0 40 FIAB Cc1ccc([C@@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1 28405603 FUSNHGQDISJAHI-LJQANCHMSA-N 362.454 4.463 0 40 FIAB COc1ccc(NC(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)cc1 28579712 ITUXVZHYTFYIJW-UHFFFAOYSA-N 374.803 4.377 0 40 FIAB C[C@@H]1Oc2ccccc2N(CCC(=O)O[C@H](C)c2ccccc2Cl)C1=O 31330239 YOLSDQXTZYDSBY-KGLIPLIRSA-N 373.836 4.148 0 40 FIAB COc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c(OC)c1 32095299 YPVIDSHYNVEEGW-AWEZNQCLSA-N 373.478 4.274 0 40 FIAB CCOc1ccc(NC(=O)Cc2csc(COc3ccccc3)n2)cc1 33326280 GALFDQKNOZTBAE-UHFFFAOYSA-N 368.458 4.302 0 40 FIAB Cc1ccc(CNC(=O)c2ccc(Cn3c(C)nc4ccccc43)o2)cc1 35597055 IXVVGZMPCCGING-UHFFFAOYSA-N 359.429 4.224 0 40 FIAB COC(=O)c1cc(Nc2cc(OC)cc(OC)c2)c2cccc(C)c2n1 38487139 IPRBDJQFNVZAHU-UHFFFAOYSA-N 352.390 4.091 0 40 FIAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)Cc2noc3ccccc23)c1 40023505 JBIJELWYZDOXME-UHFFFAOYSA-N 360.417 4.120 0 40 FIAB CC(C)c1nnc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)s1 40131849 BREIZZZGSDZXHI-MRXNPFEDSA-N 353.447 4.420 0 40 FIAB CC(C)n1nccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 40161357 GRAGSQLZXXCQPS-NWDGAFQWSA-N 369.296 4.449 0 40 FIAB CCCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1F 41077068 HERGCUZLBCIIAC-UHFFFAOYSA-N 353.397 4.111 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2-n2cccn2)c1 48152278 JZUIUSJPFXWMKK-LJQANCHMSA-N 362.433 4.250 0 40 FIAB O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2cnco2)c1 48205378 MGTVGMNZNFHBFQ-UHFFFAOYSA-N 357.207 4.285 0 40 FIAB CCN(CC)c1nc2sc(C(=O)Nc3nc(C)cs3)cc2s1 54272975 RZIDUNDDENWJSC-UHFFFAOYSA-N 352.510 4.221 0 40 FIAB CCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCO3)cc1 54374097 PJPWBUDWMXMYRW-QGZVFWFLSA-N 354.406 4.183 0 40 FIAB COC(=O)N(C)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 56448402 LLLICXSOUIKKCE-UHFFFAOYSA-N 353.205 4.448 0 40 FIAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1cc2ccc(Cl)cc2[nH]1 58158805 QOPPCWUVZCLUMJ-UHFFFAOYSA-N 350.809 4.141 0 40 FIAB COc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1O 58163616 YBGUVUPWKZVPGJ-UHFFFAOYSA-N 354.381 4.017 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)CCc1ccc(OC)c(OC)c1 58257595 CMDWDZXVJSVLSJ-INIZCTEOSA-N 359.491 4.234 0 40 FIAB CCCOc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c1 58341227 NVJVTXYFWRXSAI-UHFFFAOYSA-N 361.445 4.402 0 40 FIAB COc1ccc(-c2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)cc1 65185559 TXXUPLYHEUKFLF-UHFFFAOYSA-N 368.780 4.039 0 40 FIAB CC(=O)Nc1ccc(F)c(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c1 68379187 QADMIDCASHXFQE-HXUWFJFHSA-N 352.409 4.076 0 40 FIAB O=C(Nc1ccc(-c2noc(O)n2)cc1)c1cc(F)c(Cl)cc1Cl 69950994 SZOHWYLHRHPHTN-UHFFFAOYSA-N 368.151 4.140 0 40 FIAB C[C@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccccc3)CCOCC2)o1 71889858 SUQDVKOHRIWEMM-HNNXBMFYSA-N 368.408 4.445 0 40 FIAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)c2)c1 72356176 LPCTXPCMYPJOFP-FQEVSTJZSA-N 374.488 4.032 0 40 FIAB Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@H](c2ccccc2)CC1 78848805 ZRCMZLCDDPSNAQ-BEFAXECRSA-N 355.482 4.202 0 40 FIAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 84636452 MVIYCFGXXOCZHT-GOEBONIOSA-N 372.465 4.198 0 40 FIAB Cc1ccccc1C(=O)NCCC(=O)N(c1ccccc1)C1CCCC1 95953757 GPESNZPBNCYPSD-UHFFFAOYSA-N 350.462 4.091 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1c[nH]c2ccccc12 96222592 ITDGIGBEOIFYIZ-NRFANRHFSA-N 373.456 4.394 0 40 FIAB biogenic COc1cccc(C2=N/C(=C/c3ccc4cc(OC)ccc4c3)C(=O)O2)c1 96635086 MSQJNLMYYNNUHE-RGVLZGJSSA-N 359.381 4.202 0 40 FIAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)CSc2nncc3ccccc23)C1 100983124 NGISVSWVBYTYEU-QRWLVFNGSA-N 355.507 4.149 0 40 FIAB CCNc1c(NC(=O)Nc2ccccc2CC)c(=O)oc2ccccc12 101094546 DEQINIIOMYXCNN-UHFFFAOYSA-N 351.406 4.431 0 40 FIAB CCSc1nc2n(n1)[C@H](c1cccnc1)C1=C(O)CC(C)(C)CC1=N2 102662253 IPIKHRLIDPKXFZ-OAHLLOKOSA-N 355.467 4.093 0 40 FIAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1csc(-c2ccoc2)n1 108263302 WEBKYGBITPZWKH-INIZCTEOSA-N 368.458 4.259 0 40 FIAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 216383049 QPHKDENWNBRKMT-QGZVFWFLSA-N 355.478 4.335 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](C)COc1ccccc1C 219330283 HDIAODPMFBHMDC-AZUAARDMSA-N 355.478 4.353 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)c(C)c1 219529135 DSRFELLFRBURDP-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 219532027 BWHDVMDDTHKPTP-SFHVURJKSA-N 355.478 4.218 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2cccc3ccccc23)c1 223543664 IOLYBVMDCORZBD-UHFFFAOYSA-N 363.457 4.339 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C)cc1 224829526 RYILJNJYQSBFAM-JOCHJYFZSA-N 367.489 4.226 0 40 FIAB CC(C)c1nc2ccccc2n1Cc1noc(C2Cc3ccccc3C2)n1 558371312 YEASZPKOZJUVPM-UHFFFAOYSA-N 358.445 4.473 0 40 FIAB CC(=O)N1CCC[C@H](NCCc2cccc(C)c2)[C@@H]1Cc1cccc(C)c1 585284718 HCFRIHAUESRZFA-ZEQRLZLVSA-N 364.533 4.058 0 40 FIAB Cc1nc(C(=O)N2CCC(c3ccc4cc(Cl)cnc4n3)CC2)cs1 1889977359 XIIGRSGHOXJAMS-UHFFFAOYSA-N 372.881 4.068 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 783862 VCCLNHIDFHMLFO-UHFFFAOYSA-N 362.882 4.201 0 40 FIAB O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 838318 GLKFRDZMBOWOIT-UHFFFAOYSA-N 362.410 4.098 0 40 FIAB Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1C 869758 FECJETNCUMCLCA-UHFFFAOYSA-N 351.372 4.036 0 40 FIAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccccc4)cc3n2)cc1 1085045 FDKXUSVEQAXVEO-UHFFFAOYSA-N 372.428 4.356 0 40 FIAB CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc(N)nn32)cc1 2472228 MGNSSRFDNRJRKD-DLBZAZTESA-N 369.856 4.059 0 40 FIAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 4166184 AEYZZIZNISPVTA-JOCHJYFZSA-N 351.446 4.027 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3cccc(Cl)c3)cs2)cc1 4167085 NICFXVCKCNGKNJ-UHFFFAOYSA-N 372.877 4.445 0 40 FIAB O=C(COC(=O)c1ccc(OC(F)F)cc1)Nc1cccc2ccccc12 4580451 ZVZBQBCKNODHJD-UHFFFAOYSA-N 371.339 4.237 0 40 FIAB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3)C[C@H]21 4878443 VFVCTVJLKYXKKY-DENIHFKCSA-N 357.413 4.333 0 40 FIAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(Cl)cc1)OCCCO3 5353782 NEXKTFZNLLSLEA-ZDUSSCGKSA-N 357.837 4.261 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3Cl)NC(=O)CN21 5370611 KDGPFICTSNTBKM-RQWLHQTBSA-N 352.865 4.286 0 40 FIAB O=c1c2c3c(sc2nc(N2CCCCC2)n1-c1ccccc1)CCCC3 5604617 TTXORWXYRFLWDO-UHFFFAOYSA-N 365.502 4.316 0 40 FIAB O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1ccc2c(c1)OCO2 6128446 POCCEZBWPIPSFF-UHFFFAOYSA-N 374.607 4.393 0 40 FIAB COCCn1c(C)cc(-c2csc(NCc3ccccc3OC)n2)c1C 6500666 BMFUUJFMLDGBRF-UHFFFAOYSA-N 371.506 4.496 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 7364357 OYUCOWZIFFMBHG-SFHVURJKSA-N 358.873 4.230 0 40 FIAB Cc1ccc(-c2noc(COC(=O)c3ccccc3C(F)(F)F)n2)cc1 7814673 MGXIBLTYCHKZNY-UHFFFAOYSA-N 362.307 4.421 0 40 FIAB CCn1c(-c2ccncc2)nn(CN2CCC[C@H]2c2cccs2)c1=S 8114065 IHEOKAZNIKHGMJ-HNNXBMFYSA-N 371.535 4.352 0 40 FIAB COc1ccccc1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8131383 VFNILNBMTRLIDC-UHFFFAOYSA-N 353.418 4.308 0 40 FIAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1C 8734133 XHMCFEFYPRGFTA-UHFFFAOYSA-N 364.401 4.258 0 40 FIAB CCCCOc1ccccc1-c1cc(-c2nc(-c3ccncc3)no2)[nH]n1 9002134 FRGADTRZWDVKSM-UHFFFAOYSA-N 361.405 4.368 0 40 FIAB O=C(Nc1cccc(F)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063682 NRQPNPBPBZBIAR-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)no1 9386187 VXMZOFWVQCBWKR-UHFFFAOYSA-N 370.409 4.142 0 40 FIAB O=C(COc1ccc(Oc2ccccc2)cc1)Oc1ccc2c(c1)OCO2 11327258 CMDNXDPOEIBPMY-UHFFFAOYSA-N 364.353 4.192 0 40 FIAB COc1ccc(-c2nnc(SCc3ccc(C#N)cc3F)o2)c(OC)c1 11536747 XZYLKQQTTQYROZ-UHFFFAOYSA-N 371.393 4.057 0 40 FIAB O=C(N1CCC(c2ccncc2)CC1)C1(c2cccc(F)c2)CCCC1 12117362 SCEBUWISLFRBLL-UHFFFAOYSA-N 352.453 4.439 0 40 FIAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(CC4CC4)CC3)cc2N1 12220333 XHPTZJYZUDXQSI-DOTOQJQBSA-N 370.463 4.416 0 40 FIAB Clc1ccc(-c2cc(-c3nn4c(-c5ccco5)nnc4s3)n[nH]2)cc1 12323762 OJCCALKEBLZZNC-UHFFFAOYSA-N 368.809 4.156 0 40 FIAB C[C@@H]1C[C@@H](Sc2nc(Nc3ccccc3)c3ccccc3n2)C(=O)O1 12524960 GLRWBKLADARQIB-MLGOLLRUSA-N 351.431 4.170 0 40 FIAB CSCc1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1 12553400 QDESZVDTMKLVIL-YNEHKIRRSA-N 358.529 4.029 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 12636317 WMZGGPQGBNBMDT-BETUJISGSA-N 370.478 4.100 0 40 FIAB CCc1nc2ccccc2c(C(=O)Nc2cccc(N3CCCC3=O)c2)c1C 12786434 VWAFWUGCSLSFTK-UHFFFAOYSA-N 373.456 4.485 0 40 FIAB C1=NN(Cc2ccccc2)[C@@H](N(Cc2ccccc2)Cc2ccccc2)N1 19329012 RFQIXRTUPCUJNK-HSZRJFAPSA-N 356.473 4.021 0 40 FIAB CCc1nn2c(O)cc(-c3ncccc3C)nc2c1-c1ccc(OC)cc1 19521404 ICGRCJSJWWBSEV-UHFFFAOYSA-N 360.417 4.043 0 40 FIAB CC(C)(C(=O)NCC1(c2cccc(F)c2)CCOCC1)c1cccc(F)c1 19718536 JKMYJYUTDIJSSQ-UHFFFAOYSA-N 373.443 4.107 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 20105933 GIYFOQGWWPUVNE-VQIMIIECSA-N 371.477 4.355 0 40 FIAB O=C(COCc1nc2ccccc2s1)N1CCC[C@@H]1c1cccs1 22131804 VMVLBPPQLWRZLS-CQSZACIVSA-N 358.488 4.238 0 40 FIAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1OC 22519651 UOTVJYWNELFXED-CVEARBPZSA-N 371.477 4.472 0 40 FIAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907071 DJRNLSMWDADFIW-OAQYLSRUSA-N 360.457 4.117 0 40 FIAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)c1nc(C(C)(C)C)no1 24046326 HRJGDEGGJWCLDT-JTQLQIEISA-N 363.874 4.455 0 40 FIAB O=C(Nc1ccc(N2CCCC2)cn1)c1cccnc1Oc1ccccc1 25666872 ZMWFBWCEGGJFAP-UHFFFAOYSA-N 360.417 4.121 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)N(C)CCOc1ccccc1Cl 27159214 JCKJGDWWBJCOOA-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(SC(F)F)cc1 27336212 LFPUAEVYLZANGJ-OAHLLOKOSA-N 366.433 4.161 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 28210652 AHVLCJSZLLHALN-UHFFFAOYSA-N 351.324 4.313 0 40 FIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cn2cccn2)o1 28224953 DMDUKKKXQAMQLX-UHFFFAOYSA-N 369.730 4.449 0 40 FIAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c12 29516430 FXSIUUJACDIWKI-HUUCEWRRSA-N 362.477 4.062 0 40 FIAB CCOc1ccc2nc(S[C@H](C)c3nc(-c4ccco4)no3)[nH]c2c1 29738128 ODNGIYJABGNKNM-SNVBAGLBSA-N 356.407 4.458 0 40 FIAB O=C(Nc1ccc(SC2CCCC2)cc1)c1cnc2sccn2c1=O 30182153 WFJGZDSGDQQBEQ-UHFFFAOYSA-N 371.487 4.043 0 40 FIAB COc1ccc(OC)c([C@@H](C)NC(=O)CCOc2cccc(Cl)c2)c1 32712963 MSGNHAIMDZNKCW-CYBMUJFWSA-N 363.841 4.004 0 40 FIAB COc1cccc(COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c1 32841442 LNTPCGQAABHVSN-UHFFFAOYSA-N 368.429 4.022 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2cc(C(C)(C)C)no2)c1 40051286 RVZGFNKFSMRSQS-UHFFFAOYSA-N 372.469 4.007 0 40 FIAB Cc1ccc(CN(C(=O)c2cnc(C)cn2)[C@H]2CCc3ccccc32)cc1 40151933 MELQYPNMVUZOJE-QFIPXVFZSA-N 357.457 4.423 0 40 FIAB Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(Cl)c1 43188509 QIVBKSFPULIFAQ-UHFFFAOYSA-N 357.885 4.435 0 40 FIAB O=C(c1cccc(CN2CCOCC2)c1)c1cccc(Cl)c1Cl 43211030 QKBNMPLICPVRKG-UHFFFAOYSA-N 350.245 4.057 0 40 FIAB Fc1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)cc1F 43277836 ACMDGINVHJNUJN-UHFFFAOYSA-N 359.395 4.393 0 40 FIAB C[C@@H](Nc1cccc(OCc2cccnc2)c1)C(=O)Nc1ccccc1F 56187756 UNTKNVUVCKSUIE-OAHLLOKOSA-N 365.408 4.239 0 40 FIAB COc1ccc(CNC(=O)Nc2ccc(OC3CCCC3)cc2)cc1O 57985976 GHIIPZZDVMKMJY-UHFFFAOYSA-N 356.422 4.044 0 40 FIAB CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OCc2ccccc2)CC1 60041979 LKVNCJBULWSHDT-UHFFFAOYSA-N 362.470 4.045 0 40 FIAB COc1ccc(Oc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 62720707 LGWJZPFSYPNELN-UHFFFAOYSA-N 369.442 4.313 0 40 FIAB C[C@H]1CCN(C(=O)CSC[C@@H](O)c2ccccc2)c2ccccc2S1 65554382 MDVSDTKMODMEHG-MAUKXSAKSA-N 373.543 4.371 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C[C@H](C)OC(C)(C)C1 68538352 GDPIGZKXCHEUSV-JTQLQIEISA-N 366.820 4.082 0 40 FIAB Clc1ccc(-c2noc(CN3CC[C@@H](Nc4ccccc4)C3)n2)cc1 69951144 SIQFODYFGAKDSQ-QGZVFWFLSA-N 354.841 4.076 0 40 FIAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(NC2CCCC2)nc1 72213998 PMAKWWXOHFVGKR-UHFFFAOYSA-N 361.486 4.314 0 40 FIAB Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(C)c1 72331210 KKSWVUGJHSINDX-UHFFFAOYSA-N 373.294 4.028 0 40 FIAB Cc1cc(Nc2nccs2)nc([C@H]2CCCCN2C(=O)CC(C)C)n1 72383717 FHIPDKKLVKEJTO-CQSZACIVSA-N 359.499 4.085 0 40 FIAB C[C@H]1C[C@@H](N(C)C(=O)CCCOc2ccc(Cl)cc2Cl)CCN1C 76021765 UEEMZVARDQTTSH-ZFWWWQNUSA-N 373.324 4.094 0 40 FIAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc2N1 78403948 GNGPNWJLHMGXQV-VIFPVBQESA-N 357.262 4.151 0 40 FIAB Cc1cc2nc(CO[C@H]3CN(Cc4ccccc4F)C[C@H]3F)[nH]c2cc1C 96112337 UYWHQOKGJZEVPP-XLIONFOSSA-N 371.431 4.058 0 40 FIAB biogenic,in-vitro Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(Cl)cc2)C3)cc1 96269403 HGHUDGUOGVGRIN-IBGZPJMESA-N 367.880 4.201 0 40 FIAB biogenic,in-vitro CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(F)cc2)cc1OCC 104870882 HDVCAKIMXPYWTM-OAHLLOKOSA-N 359.441 4.433 0 40 FIAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)nc2c1 120203499 HNDAYBRCMXHEOI-INIZCTEOSA-N 372.472 4.301 0 40 FIAB O=C(NCc1ccc(-n2ccnc2)cc1)/C(=C/c1ccco1)c1ccccc1 216259261 OZGKIHVBNNIDGX-PXLXIMEGSA-N 369.424 4.322 0 40 FIAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222837238 VIFHLHLWKBUOSN-HNNXBMFYSA-N 352.906 4.020 0 40 FIAB Cc1cccc(CSCCNC(=O)COc2ccc3c(c2)CCCC3)c1 222868279 DPOWAGCGPFCHMI-UHFFFAOYSA-N 369.530 4.302 0 40 FIAB CCCCCNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223226959 AIFNQRGQULTUHU-JXAWBTAJSA-N 356.491 4.134 0 40 FIAB COc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)(C)C)cc1 223665582 DSWJUOCLQCSIAC-SDNWHVSQSA-N 353.462 4.201 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)c1 224556145 GHHDZJVOWDGKBK-UHFFFAOYSA-N 372.490 4.315 0 40 FIAB COc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)c2cccnc12 225475421 ALEVEYCWSNNLOI-GFCCVEGCSA-N 355.438 4.430 0 40 FIAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225738426 XAUWREYWQXAMOY-QGZVFWFLSA-N 366.848 4.111 0 40 FIAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCOCC)nc1C 225907412 KSSNWYIGWNOJDR-FQEVSTJZSA-N 366.502 4.119 0 40 FIAB Cc1cc(-c2nc3cc(N)cc(C)c3o2)ccc1I 226239655 KFGMWOFCWINPHJ-UHFFFAOYSA-N 364.186 4.298 0 40 FIAB Cc1cnc(C2(C)CCN(C(=O)c3nccc4ccccc34)CC2)s1 257249356 JHWKFHIGLNSGSK-UHFFFAOYSA-N 351.475 4.194 0 40 FIAB COc1ccc(F)cc1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)C2 512967364 OCBPDXAMZJGJKT-PDFPEKILSA-N 353.437 4.314 0 40 FIAB Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ncc(-c3ccc(Cl)cc3)[nH]2)c1C 605530819 RBJCMWQLFKNPLY-INIZCTEOSA-N 369.856 4.047 0 40 FIAB CO[C@@H](CNC(=O)c1ccccc1Br)c1cc2ccccc2o1 669933115 GVSIIEBCGFAPTD-KRWDZBQOSA-N 374.234 4.313 0 40 FIAB COCC1(CNc2nc(-c3ccccn3)nc3sccc23)CCCC1 1559213256 LDMVDFHQDMNRHF-UHFFFAOYSA-N 354.479 4.372 0 40 FIAB O=C([C@@H]1CCOC1)N1CCC2(CC1)C[C@H](c1ccccc1)c1ccccc12 1565556722 ZFKKOSNZNXEZDU-TZIWHRDSSA-N 361.485 4.119 0 40 FIAB CN(C)c1cccc([C@@H]2CCCN2C(=O)Cc2cncc3ccccc23)c1 1565817509 PRZSHYBWJMYPDZ-QFIPXVFZSA-N 359.473 4.207 0 40 FIAB O=C(NCc1cc(-c2ccco2)cs1)c1cc2ccccc2oc1=O 1775969876 PVFAPOADGHXYHL-UHFFFAOYSA-N 351.383 4.045 0 40 FIAB C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1nc2ccc(F)cc2o1 2087121359 MHCAKXFSVCZYRW-BEFAXECRSA-N 353.441 4.314 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 670420 YKAPMZLTSWHGLA-SNVBAGLBSA-N 368.216 4.186 0 40 FIAB O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780460 PDKVMZCNTPCEDA-UHFFFAOYSA-N 374.912 4.199 0 40 FIAB COc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 848369 NSODFEZUBXBIGE-UHFFFAOYSA-N 368.458 4.068 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 863293 AAUPXQXXEGNYOW-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB COc1ccc(NC(=O)c2ccc(CSC3=NCCS3)cc2)cc1 1083525 AJUGFTDDLHYXKK-UHFFFAOYSA-N 358.488 4.284 0 40 FIAB COc1ccc(C)cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1 1426701 GBWYFRWRKFJHRS-UHFFFAOYSA-N 369.461 4.471 0 40 FIAB CCCOc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OC 2801370 LAAILCMLPKPIPO-ATVHPVEESA-N 351.402 4.137 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 3248654 PJWGRVBYCZMVGO-UHFFFAOYSA-N 365.351 4.426 0 40 FIAB Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)nc(C)c1C 3398323 TXWXYZOHJJFVFC-UHFFFAOYSA-N 356.278 4.439 0 40 FIAB O[C@@H](CN[C@H]1CCCc2ccccc21)COc1c(Cl)cccc1Cl 3401899 GQJNFXXFTZTBLZ-KSSFIOAISA-N 366.288 4.400 0 40 FIAB O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cccs1 3549680 XTKVPJXFWOGEQP-UHFFFAOYSA-N 352.444 4.310 0 40 FIAB CCc1ccc(NC(=O)c2cccc(I)c2)cc1 3566869 WUTJEPASWGPVGR-UHFFFAOYSA-N 351.187 4.106 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cc(-c2cccc(O)c2)on1 3908320 FFWHFLFJJVPDJG-UHFFFAOYSA-N 359.179 4.062 0 40 FIAB CC(C)n1c(=O)c2oc3ccccc3c2n(Cc2ccc(Cl)cc2)c1=O 4316408 AISUAUSSKCBCCV-UHFFFAOYSA-N 368.820 4.192 0 40 FIAB Cc1ccc(NC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1 4505694 CJRGYQGDDIJSFO-UHFFFAOYSA-N 350.418 4.027 0 40 FIAB COC(=O)c1cc(NCc2ccc(C(C)C)cc2)ccc1N1CCOCC1 4705412 RKQLOKPUWHNZQT-UHFFFAOYSA-N 368.477 4.045 0 40 FIAB CC[C@@H](C)OC(=O)C1[C@@H](c2ccccc2)C(C(=O)O)[C@H]1c1ccccc1 4832463 ATVQCPSTHQBYQA-AXXZIJKBSA-N 352.430 4.226 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c(OC)c1 5268354 ZNRPDGPJWUHJFV-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CCCCCCNC(=O)NCCCCCCNC(=O)NCCCCCC 5297604 RIQWMBYGUHQQOS-UHFFFAOYSA-N 370.582 4.306 0 40 FIAB Cc1ccccc1Cn1nc(-c2ccc(Br)cc2)ccc1=O 5398067 BGLFQLFJVVNECN-UHFFFAOYSA-N 355.235 4.030 0 40 FIAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)NCc3cccs3)sc2n1 5689594 KEULIPKYZVUEKA-UHFFFAOYSA-N 371.409 4.197 0 40 FIAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 5710641 IBYYSUHOILLQQC-OAHLLOKOSA-N 372.490 4.231 0 40 FIAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1 5864879 YRTWFVTWYJKXTP-UHFFFAOYSA-N 369.446 4.175 0 40 FIAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)NCc1ccc(Cl)cc1 6085548 QCUHSQFRKLITRM-UHFFFAOYSA-N 366.273 4.278 0 40 FIAB O=C(CCc1nc2ccccc2s1)OCC(=O)c1ccc(Cl)cc1 6595955 QWUMEJWRZQKPOR-UHFFFAOYSA-N 359.834 4.308 0 40 FIAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cnc2ccccc2n1 6653797 MTTIPVDZFGKTFR-VAWYXSNFSA-N 352.397 4.448 0 40 FIAB CCOc1ncccc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7007280 PDXMXMHKMXLYOH-UHFFFAOYSA-N 361.373 4.134 0 40 FIAB O=C1CCc2cc(-c3csc(NC(=O)c4cccc(F)c4)n3)ccc2N1 7036849 MIYVYJRZSMZIIT-UHFFFAOYSA-N 367.405 4.086 0 40 FIAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OCC 7060624 GHQQCHKURVYCEY-UHFFFAOYSA-N 357.406 4.245 0 40 FIAB O=S(=O)(c1cccs1)N(CCc1ccccc1)Cc1ccccc1 7376841 UEDCWLXIZKOSNH-UHFFFAOYSA-N 357.500 4.182 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 7927709 WXAFZRGAJKVGQZ-UHFFFAOYSA-N 369.870 4.247 0 40 FIAB C[C@H](SC(=S)N(C)C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 7979835 VRQMDQOJUIGSPV-BDAKNGLRSA-N 365.351 4.139 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cn2nnc3ccccc32)cc1 8192326 IRHNFKAYPDSQOS-UHFFFAOYSA-N 368.440 4.221 0 40 FIAB CCn1nnc2cc(C(=O)Nc3ccc(N4CCCCCC4)cc3)ccc21 8341911 YRWXHKPBAHNIJS-UHFFFAOYSA-N 363.465 4.084 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 9062965 CGMBTLXUQDKSIK-UHFFFAOYSA-N 366.549 4.292 0 40 FIAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1)c1cccnc1 9659997 HXARLUQNJKELJE-UHFFFAOYSA-N 360.344 4.246 0 40 FIAB O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)c1ccc[nH]1 10278897 OFOFLFRDJMOUBN-UHFFFAOYSA-N 354.793 4.182 0 40 FIAB O=C(c1ccc(OC(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12627340 OXYHUNJDSANZMV-INIZCTEOSA-N 357.360 4.142 0 40 FIAB CC[C@H](NC(=O)c1ccc(F)cc1Br)c1ccc(OC)cc1 12771027 CQXQBKNCKHEFDD-INIZCTEOSA-N 366.230 4.478 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)n1 12850771 VXTBLPNYKPXCKL-UHFFFAOYSA-N 350.447 4.200 0 40 FIAB C/C(=C\C(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 13116875 UYUSYLAFLUQAIS-ZRDIBKRKSA-N 352.415 4.241 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc(F)c(F)c1 13695449 RRHWMAUIDHKORC-UHFFFAOYSA-N 368.339 4.013 0 40 FIAB Cc1ccccc1/C=C/c1nc(S[C@@H](C)C(=O)NC2CCCCC2)n[nH]1 14135431 MQHJQWQYVPDISD-LHNRBYRGSA-N 370.522 4.213 0 40 FIAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccco4)c(=O)c23)cc1C 14239764 NWLBNRSMYLMCDB-UHFFFAOYSA-N 364.426 4.218 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccc2ncccc12 14370204 VCNFDNQSORFCQP-UHFFFAOYSA-N 374.362 4.244 0 40 FIAB CC(C)(C)c1csc(NC(=O)Cc2ccc(Br)cc2)n1 14793935 ZUMZONODCLMHOW-UHFFFAOYSA-N 353.285 4.384 0 40 FIAB COc1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 16846807 DWBLQJYHJGIAHX-UHFFFAOYSA-N 352.781 4.456 0 40 FIAB CC(C)c1ccc(CN2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)cc1 19453216 NAEWUFCCPMNJIB-SFHVURJKSA-N 367.493 4.070 0 40 FIAB CC[C@H](C)n1nc(NC(=O)CCCC(=O)O)c2cc3cc(C)ccc3nc21 21596607 BXBXKQMDATVUNH-ZDUSSCGKSA-N 368.437 4.057 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1cccc2[nH]ccc12)C1CC1 32124422 UCTSCFMMWAQWPB-WEVVVXLNSA-N 360.413 4.101 0 40 FIAB biogenic Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 32913242 YDPCQKHKMGALFR-UHFFFAOYSA-N 372.534 4.302 0 40 FIAB COc1ccccc1C(=O)NCc1ccccc1COCc1ccccc1 32925102 OOQMFBPPXCGATJ-UHFFFAOYSA-N 361.441 4.342 0 40 FIAB Cc1c(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cnn1-c1ccccc1 40017324 RYBQNTWMMQZVJX-QFIPXVFZSA-N 368.440 4.095 0 40 FIAB CCc1ccc([C@H](C)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 40096234 IVRGGSTVFFXQDH-ZDUSSCGKSA-N 358.438 4.158 0 40 FIAB Cc1[nH]c2ccc(C(=O)NCCCCN3C[C@@H](C)C[C@@H](C)C3)cc2c1C 40146748 JELCIYUKYBFCFA-IYBDPMFKSA-N 355.526 4.273 0 40 FIAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)Nc1cc(Cl)cc(Cl)c1 43176819 WAKDBUSRPNPOAU-CQSZACIVSA-N 361.175 4.127 0 40 FIAB Cc1n[nH]c2c1[C@@H](c1ccc(-c3cccc(Cl)c3)o1)SCC(=O)N2 44890694 LGDYFWKYFRYMHW-MRXNPFEDSA-N 359.838 4.406 0 40 FIAB COc1cc(Br)c2oc(-c3ccc(OC)c(OC)c3)nc2c1 45920244 IUNCEJMRTCLQDX-UHFFFAOYSA-N 364.195 4.283 0 40 FIAB O=C(OCc1cc(-c2ccccc2)on1)C1(c2ccccc2)CCOCC1 46399567 VRWCUTFPYVBQPT-UHFFFAOYSA-N 363.413 4.133 0 40 FIAB CCOC1CCN(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 54820674 CMBXZTDCGJNUKB-HNNXBMFYSA-N 373.522 4.390 0 40 FIAB Cc1nc(CN(C)C(=O)c2cc3c(s2)-c2ccccc2OC3)cs1 58419171 VGVDHQWSBQBRHH-UHFFFAOYSA-N 356.472 4.345 0 40 FIAB CC1(C)C[C@H](NC(=O)c2cc3ccccc3n2Cc2ccccc2)CCO1 61721366 GNUHYETYGOWJBT-LJQANCHMSA-N 362.473 4.377 0 40 FIAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2cccc(C3SCCCS3)c2)cn1 63902058 ZNCOMNCVOBKFQA-HZPDHXFCSA-N 359.520 4.031 0 40 FIAB CC[C@H](C)c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889941 INBDFVHFEBWNRP-LBPRGKRZSA-N 365.271 4.442 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C=O)cn1)C1CCCC1 72215595 WBNYGDNFZHQTNO-GOSISDBHSA-N 373.497 4.449 0 40 FIAB CC1CCC(NC(=O)c2cn[nH]c2-c2cccc(Br)c2)CC1 72329035 NJRZWBAGUQOGRZ-UHFFFAOYSA-N 362.271 4.148 0 40 FIAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccco3)N1CC2 72342178 XQUWBUQWLDBLNU-VXKWHMMOSA-N 362.429 4.369 0 40 FIAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 77200117 ZOORNZZERQEHOT-HZPDHXFCSA-N 374.387 4.255 0 40 FIAB COc1ccccc1N(C)Cc1nc(N)c2c3c(sc2n1)CCCCC3 83867745 DYTLAKHYKXKICD-UHFFFAOYSA-N 368.506 4.187 0 40 FIAB C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 95481668 HDUZDAYPZAAFEV-ZDUSSCGKSA-N 373.503 4.078 0 40 FIAB COCCc1nc(C)c([C@@H](C)N(C)Cc2cccc(OC(F)F)c2)s1 97102335 AWNHEXZSJFFTTL-CYBMUJFWSA-N 370.465 4.435 0 40 FIAB C[C@@H](Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccccc1 100391437 WBDLWPXLYBRVFY-XHXDDVKMSA-N 359.425 4.138 0 40 FIAB Cc1ccc(C2=C[C@@H](c3ccc(Br)cc3)n3ncnc3N2)cc1 100561184 RHVRQLPDMRGEMN-KRWDZBQOSA-N 367.250 4.405 0 40 FIAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 219305390 NPDYVUFHABGQGJ-OAHLLOKOSA-N 355.434 4.423 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3C)[nH]n2)c(C)c1 223260526 RSICRMFLOSMVNU-UHFFFAOYSA-N 355.463 4.111 0 40 FIAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 224553891 XMHHXZJHJJDAHS-MSOLQXFVSA-N 367.499 4.329 0 40 FIAB O=C(CCc1ccc(Cl)c(F)c1)NCc1ccc(-c2ccco2)nc1 225751819 OEONRIHQOPQUFS-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB NNc1nc2c(Cl)cc(NC(=O)c3cc4ccccc4o3)cc2s1 226311248 VBSVZPRVNPKUFD-UHFFFAOYSA-N 358.810 4.234 0 40 FIAB CC(C)CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4O)OCC[C@@]31C2 257212958 CFPJSZTUNNOXDK-IOCUROTISA-N 371.521 4.437 0 40 FIAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)n1 257261086 LFQVJIPYQADEPP-SFHVURJKSA-N 360.461 4.108 0 40 FIAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408657603 INZOMZBRDHRTJU-HNNXBMFYSA-N 369.436 4.472 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c1 408706337 DCMYVOBABONPAR-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB COCCn1c(SCCCc2ccccc2)nnc1-c1ccccc1 409121200 XAMMFQRLCMAXGD-UHFFFAOYSA-N 353.491 4.316 0 40 FIAB CCN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409234937 AYXGYLHEIUFXAH-JYRVWZFOSA-N 351.189 4.166 0 40 FIAB O=C(NCCCc1cccc(Br)c1)c1cncc2ccccc12 595335682 DUOQJFBMGKEBMN-UHFFFAOYSA-N 369.262 4.360 0 40 FIAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C(=O)CCC3 816414 MMHIKOUHGMIOJF-UHFFFAOYSA-N 373.405 4.200 0 40 FIAB CN1/C(=C2/SC(=O)N(Cc3ccccc3)C2=O)Sc2ccccc21 973211 GEXKULINUXNBQH-ICFOKQHNSA-N 354.456 4.293 0 40 FIAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 1993772 MCDZHPIGGGIPGB-UHFFFAOYSA-N 363.388 4.140 0 40 FIAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1ccc2c(c1)OCO2 3280576 HSOSXJNTIBRHHD-UHFFFAOYSA-N 363.398 4.272 0 40 FIAB Fc1ccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)cc1 3310642 ABUUREAJJWEJKI-UHFFFAOYSA-N 364.755 4.206 0 40 FIAB O=C(CSc1nnc2sc3ccccc3n12)NCCC1=CCCCC1 3495547 YPGBRHYWUWRAGN-UHFFFAOYSA-N 372.519 4.043 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3c(F)cccc3F)cs2)cc1 4167089 DEPGHEZVWBLSBF-UHFFFAOYSA-N 374.412 4.069 0 40 FIAB COc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 4327171 CUFUDVXHXJSFGT-QGZVFWFLSA-N 373.478 4.114 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)Cc3cccc4ccccc34)ccc21 5373685 FDNWVNPAXDVQAJ-UHFFFAOYSA-N 358.441 4.320 0 40 FIAB COc1ccc(NC(=O)c2cccc(Cl)c2)cc1N1CCCCC1=O 5441921 NXOCUWHKMOINEN-UHFFFAOYSA-N 358.825 4.118 0 40 FIAB CCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1 5644999 KKFLHPZDDSGZCH-QGZVFWFLSA-N 373.478 4.114 0 40 FIAB COc1ccc(CNC2=NN=C(c3cc4ccccc4o3)CS2)cc1 5965788 FXPNKIPTGYGXQE-UHFFFAOYSA-N 351.431 4.038 0 40 FIAB O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(C2CCCCC2)cc1 5992444 OQXUBAPPYGKFHA-UHFFFAOYSA-N 365.260 4.481 0 40 FIAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)o2)cc1 6462702 XQIMMHQWROPBTD-NSHDSACASA-N 359.476 4.480 0 40 FIAB CN(CCOc1ccccc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 7017309 CLENUCGJKFXCOW-UHFFFAOYSA-N 360.457 4.450 0 40 FIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N[C@@H]1CCCc2ccccc21 7212311 GFKZLLXRKJNZNU-KBOKABMXSA-N 355.821 4.276 0 40 FIAB CCN(CC(=O)NCc1cccs1)Cc1ccc(Cl)c(Cl)c1 7682098 ZLIWYKZYYMGBNP-UHFFFAOYSA-N 357.306 4.193 0 40 FIAB CCOc1cc2c(cc1CNC(=O)[C@H](CC)c1ccccc1)O[C@@H](C)C2 7814323 JPYUKBUPENVCRC-HNAYVOBHSA-N 353.462 4.219 0 40 FIAB Cc1occc1C(=O)OCC(=O)c1cc(C)n(Cc2ccc(F)cc2)c1C 7850532 NGBCVAJGZXUCLY-UHFFFAOYSA-N 369.392 4.233 0 40 FIAB Cc1cccc(OCc2nc(C)c(C(=O)NCCc3ccccc3)s2)c1 8844225 SQZOIUMOPCMWKO-UHFFFAOYSA-N 366.486 4.311 0 40 FIAB C[C@H](Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)NC1CCCCC1 8993870 QDPJRZCLSDTQKO-NSHDSACASA-N 364.902 4.055 0 40 FIAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cc2ccccc2o1 9306436 NVOYIBZIMFDRFQ-UHFFFAOYSA-N 367.792 4.109 0 40 FIAB COc1ccccc1-c1cc(CSc2nc(-c3ccccc3)n[nH]2)on1 9450798 FQEKMACODQYZJY-UHFFFAOYSA-N 364.430 4.428 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)N[C@@H](c2ccccc2)C2CC2)c(C)c1 9935915 ONYYXDJBSMKOMM-NRFANRHFSA-N 365.477 4.001 0 40 FIAB C[C@H]1Cc2cc(C3C4=C(CCCC4=O)N(C)C4=C3C(=O)CCC4)ccc2O1 10299099 BJBMATGTQFRTEP-ZDUSSCGKSA-N 363.457 4.053 0 40 FIAB CCc1cc2c(COC(=O)CCCc3cccs3)cc(=O)oc2cc1O 11318988 OSFGTNXQNKVAPG-UHFFFAOYSA-N 372.442 4.189 0 40 FIAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccncc1 12566027 ANHBYHQALXLJEG-LVWGJNHUSA-N 371.396 4.321 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1OCC 12623815 SJZPZIUQGYXQLD-UHFFFAOYSA-N 367.367 4.433 0 40 FIAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12628919 BSUYSTMVEPSQNF-QGZVFWFLSA-N 357.816 4.262 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)cc1 12760243 DHXSJHBQROIDPE-UONOGXRCSA-N 369.436 4.334 0 40 FIAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3Cl)CC2=O)c1 12852255 NAXMNKTVPXWIGV-ZDUSSCGKSA-N 360.816 4.033 0 40 FIAB O=C(Nc1cccc(OC2CCCC2)c1)c1cncc(Br)c1 12869757 FARJEMUDYFZTIC-UHFFFAOYSA-N 361.239 4.418 0 40 FIAB Cc1ccc2c(nc3s/c(=C\c4cccc5ccccc45)c(=O)n32)c1C 13283115 WRKCIBOMSFOSNG-UNOMPAQXSA-N 356.450 4.227 0 40 FIAB CCn1c2ccccc2c2cc(NC(=O)CCNc3ncccn3)ccc21 13688493 PJDBWMKKYHFNIZ-UHFFFAOYSA-N 359.433 4.045 0 40 FIAB Cc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 15721641 JKUZNIWAONABTK-UHFFFAOYSA-N 370.250 4.078 0 40 FIAB C[C@@H](c1cccs1)N(C)Cc1cc2c(cc1Br)OCCO2 16434806 JYUQJMXGXINOAL-NSHDSACASA-N 368.296 4.475 0 40 FIAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(-c2nc3ccccc3s2)o1 16694502 CHHSQTUSSZXISI-UHFFFAOYSA-N 374.425 4.363 0 40 FIAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 17526643 ROTWKFMARHGIOX-UHFFFAOYSA-N 361.405 4.228 0 40 FIAB CCCCc1c(C)nc2nc(SCc3ccc(Cl)cc3)nn2c1O 18029811 STPHMSUTIDTPBD-UHFFFAOYSA-N 362.886 4.427 0 40 FIAB C[C@@H](C(=O)N1CCC[C@H](c2cc3ccccc3cn2)C1)n1cc(Cl)cn1 19078398 WZECZAVZNSWEII-YOEHRIQHSA-N 368.868 4.052 0 40 FIAB Cc1cc(C)nc(SCC(=O)Nc2nc(-c3cccs3)cs2)n1 19850002 ZIAKVIKAKAGCDJ-UHFFFAOYSA-N 362.505 4.009 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2cnc(Nc3ccc(F)cc3)nc2C1 19973868 MXPZPZWFXYLXJT-ZDUSSCGKSA-N 363.392 4.281 0 40 FIAB CC(C)C[C@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1 20108216 ZYYGNBZPLZHPMC-NRFANRHFSA-N 352.478 4.040 0 40 FIAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccccc1)C3 20632380 IJWGAQKYYALYMS-HNNXBMFYSA-N 366.490 4.175 0 40 FIAB O=C(CC1CCCC1)Nc1nc(CN2CCc3ccccc3C2)cs1 21681352 CUNREZBIFOSCKD-UHFFFAOYSA-N 355.507 4.220 0 40 FIAB CC(=O)c1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1 22197811 SMRLPSAYXXFRAI-UHFFFAOYSA-N 364.489 4.173 0 40 FIAB Cc1sc2ncnc(N3CCC([C@H](O)c4ccccc4)CC3)c2c1C 22406187 VJVRXZZLHNIDMH-GOSISDBHSA-N 353.491 4.258 0 40 FIAB Cc1nc(NC(=O)c2cc(Cl)ccc2Cl)sc1-c1nccn1C 22883506 XCRARWVRCARUQB-UHFFFAOYSA-N 367.261 4.411 0 40 FIAB COCc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 23229377 OKJVJFHZAIAAGA-UHFFFAOYSA-N 367.445 4.147 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(OC(F)(F)F)cc2)cc1F 25214150 CZWZXNKXZKNLMK-LLVKDONJSA-N 356.319 4.472 0 40 FIAB COc1ccc2nc(NC(=O)[C@H](C)Oc3ccccc3Cl)sc2c1 27664154 WUQVBRMENCKQRP-JTQLQIEISA-N 362.838 4.364 0 40 FIAB COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3F)on2)cc1F 32830308 HQPGFINNMRZMRF-LLVKDONJSA-N 358.344 4.119 0 40 FIAB COC(=O)c1occc1[C@H]1Nc2ccccc2C(=O)N1c1cccc(C)c1 32854062 ZLWKDTXEIRJDDS-IBGZPJMESA-N 362.385 4.146 0 40 FIAB COc1ccc(Cl)cc1NC(=O)COc1ccccc1C(F)(F)F 32854423 HDJOIPDFOIORDQ-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB Cc1cccc(C)c1NC(=O)CCCS(=O)(=O)c1ccccc1Cl 32937254 AQQBNFQVWKEGGC-UHFFFAOYSA-N 365.882 4.149 0 40 FIAB Clc1cccc(Cl)c1Cc1nnc2sc(-c3ccncc3)nn12 36360096 HOWDZPWQDWOBQA-UHFFFAOYSA-N 362.245 4.145 0 40 FIAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2cccc(Cl)c2Cl)C1=O 36635505 QIFXMGFHYOPVSP-AWEZNQCLSA-N 363.244 4.354 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 40160451 JFBFKRVQYURECG-HZPDHXFCSA-N 367.518 4.495 0 40 FIAB COc1ccc([C@@H]2CCCN2c2ccc(S(=O)(=O)C(F)F)cc2)cc1 43272654 IIYLPCINLWZLCX-KRWDZBQOSA-N 367.417 4.033 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 44850426 FRPPGCSNJPZPAB-MRXNPFEDSA-N 365.788 4.062 0 40 FIAB COc1ccc(CCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1OC 53388064 WZSORYSOBZPJND-HNNXBMFYSA-N 353.462 4.003 0 40 FIAB O=C(NC1CC1)N[C@@H](c1ccccc1)c1ccc(Br)cc1F 55337348 JWIMBVILGPMANX-INIZCTEOSA-N 363.230 4.139 0 40 FIAB C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1ccc2c(c1)CCCC2 57383192 QDYNJZFHXDMMCU-MRXNPFEDSA-N 366.509 4.166 0 40 FIAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(CSc2nccn2C)o1 59855463 HIEBPWLOHBXXLD-UHFFFAOYSA-N 369.490 4.356 0 40 FIAB Fc1ccc(-c2nnc(Cc3nc(-c4cccc(Cl)c4)no3)o2)cc1 65185367 MQXPENTXTALOBH-UHFFFAOYSA-N 356.744 4.170 0 40 FIAB Cc1ccc(-c2noc(Cc3nnc(-c4ccc(C)c(F)c4)o3)n2)cc1C 65185529 GPKWSJSJUHBDIR-UHFFFAOYSA-N 364.380 4.442 0 40 FIAB COc1ccccc1[C@@H]1CCCN1C(=O)Nc1cnc(C(C)(C)C)nc1 69658945 WSGOQSUBDZCKGQ-INIZCTEOSA-N 354.454 4.152 0 40 FIAB c1cncc(-c2noc([C@H]3CC34CCN(c3nc5ccccc5o3)CC4)n2)c1 69843381 WZERMQBMEIHJPY-OAHLLOKOSA-N 373.416 4.047 0 40 FIAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 72304742 YOTZCPVIGBHZKI-HZPDHXFCSA-N 363.465 4.319 0 40 FIAB Cc1ccc(-c2ccccc2C[C@@]2(C(=O)NC(C)C)CCCNC2)cc1 72391925 SFYDGXVZKLIPMT-QHCPKHFHSA-N 350.506 4.099 0 40 FIAB O=C1CC(c2cccs2)CC(=O)N1Cc1csc(-c2ccccc2)n1 77101474 UHQIACACAMZZJL-UHFFFAOYSA-N 368.483 4.304 0 40 FIAB Cn1ccc2c(C(=O)NCCc3nc(-c4ccccc4)cs3)cccc21 79483701 FANXDETXACJWRY-UHFFFAOYSA-N 361.470 4.274 0 40 FIAB c1ccc(COc2cccc(CN3CCCC[C@@H](N4CCCC4)C3)c2)nc1 92785896 CQUQVKUJEKQZFH-JOCHJYFZSA-N 365.521 4.111 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nccc2sccc12 96012027 KEELTHOJOGWYBR-UHFFFAOYSA-N 351.435 4.183 0 40 FIAB CO[C@@](C)(CNC(=O)CSc1ccc(F)cc1)c1cccc(Cl)c1 96392547 YGFWLFVCVLGYIC-SFHVURJKSA-N 367.873 4.249 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 218932403 QERNATACVDWFIZ-UHFFFAOYSA-N 369.461 4.487 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 222866900 RXERFMVOMMZRBU-OALUTQOASA-N 369.461 4.271 0 40 FIAB COc1ccc2c(c1)N(C(=O)C(C)(C)Br)C(C)(C)C=C2C 223237619 MXUODDYUJNYHQU-UHFFFAOYSA-N 352.272 4.397 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(SCC(C)C)s1 224549325 CENAQQCUXUXXFG-ZDUSSCGKSA-N 351.497 4.082 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)Cc3ccccc3Cl)ccc21 225182359 CLXIZISQKSGGBI-UHFFFAOYSA-N 360.866 4.479 0 40 FIAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 225200201 WIRMDXVXKUCXPI-KRWDZBQOSA-N 368.496 4.478 0 40 FIAB O=C(c1ccccc1Cl)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 225737833 JDDZNBLOHGTLOD-OAHLLOKOSA-N 352.821 4.182 0 40 FIAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1 260753025 AVYQVMSOMAIFIC-ZYSHUDEJSA-N 353.491 4.460 0 40 FIAB S=C(NC[C@H]1CCCO1)c1ccc(OCc2ccccc2Cl)cc1 408576704 QNTOCZCCLATXBJ-QGZVFWFLSA-N 361.894 4.363 0 40 FIAB COc1ccc2cc(C(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)n(C)c2c1 524734543 PTIQBHCYXHSCTK-IBGZPJMESA-N 373.456 4.476 0 40 FIAB CC(C)c1cc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc(O)n1 537134496 OBINVODWAOVDPA-UHFFFAOYSA-N 365.311 4.323 0 40 FIAB O=C(NCc1ccc(-c2cccs2)o1)c1ccc(C(F)(F)F)nc1 575607891 FDDDDRVKMUPHMT-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB Cc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)c(F)c2F)cc1C 607161869 CMMWERKXWOLFBO-UHFFFAOYSA-N 369.408 4.074 0 40 FIAB Cc1sc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 675278196 FQYCBTNXCAQYRT-NXEZZACHSA-N 369.273 4.204 0 40 FIAB CCn1cc([C@@H]2CSCCN2C(=O)C[C@@H]2CCCc3ccccc32)cn1 683360705 KTWUUFVMXSEZSU-PXNSSMCTSA-N 369.534 4.030 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)cn1 1615160019 WQAWFBJLLDHOFF-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 703901 XPLPQHBBOBKIMP-UHFFFAOYSA-N 368.867 4.321 0 40 FIAB O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 799654 PARPWJYUKQIGHB-LJQANCHMSA-N 358.390 4.207 0 40 FIAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccc(C)cc1 954922 MQAHANHRNLJTPB-BUHFOSPRSA-N 351.446 4.315 0 40 FIAB CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1Cl 1261440 IGFDWKFTWISJQF-QGZVFWFLSA-N 359.882 4.004 0 40 FIAB CCOC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 1377253 MDIOSLSDXJBKND-SNVBAGLBSA-N 362.520 4.349 0 40 FIAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)N1CCCCC1 1470813 KKDABYQDTWHXFZ-HNNXBMFYSA-N 370.880 4.384 0 40 FIAB COc1ccc(CCNC(=O)C[C@H](C)Cc2cc(C)cc(C)c2)cc1OC 1827315 LRBAQNBZJDKANO-GOSISDBHSA-N 369.505 4.248 0 40 FIAB biogenic CC(C)Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 2262511 WNAHCGLQUOISQT-UHFFFAOYSA-N 357.251 4.347 0 40 FIAB C[C@H](OC(=O)c1cccc(F)c1)C(=O)Nc1nc(-c2ccccc2)cs1 2642865 GCTSZRBLPVMNEG-LBPRGKRZSA-N 370.405 4.133 0 40 FIAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1 3234901 LRSINMXKEBNSQJ-UHFFFAOYSA-N 360.439 4.152 0 40 FIAB CC1=C2C[C@@H]3[C@@H](CN(C)CCc4ccccn4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 3999486 HVDXBYCQTJYUKM-LUBSMZHTSA-N 368.521 4.014 0 40 FIAB biogenic COc1cc(OC)cc(-c2nnc(Nc3nc4ccc(F)cc4s3)o2)c1 4137796 PLVTWEWQUSVWOK-UHFFFAOYSA-N 372.381 4.246 0 40 FIAB O=C(CNc1ccccc1)Nc1ncc(Cc2ccccc2Cl)s1 4513363 HZVPQJZLFYUUED-UHFFFAOYSA-N 357.866 4.438 0 40 FIAB Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c3ccccc3n2)cc1 4949062 DJWLZRDQJQZOMH-IRXDYDNUSA-N 360.457 4.460 0 40 FIAB O=C(CSc1nnc2c(n1)CCCC2)c1ccc(-c2ccccc2)cc1 5059961 ABVMVDSMSBIBMD-UHFFFAOYSA-N 361.470 4.392 0 40 FIAB CCOc1ccc(-c2ccc3nnc(SCc4ccccc4)n3n2)cc1 5167759 ZNZLGCZKJYSNAB-UHFFFAOYSA-N 362.458 4.482 0 40 FIAB COCCCNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 5498468 FCPBEHKXOXLTHF-UHFFFAOYSA-N 355.544 4.372 0 40 FIAB COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1 6008879 QIJLZERWRCHGRJ-NRFANRHFSA-N 371.440 4.285 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)c(Cl)c1 6383975 MOJLSNIHFVDJJT-UHFFFAOYSA-N 370.836 4.163 0 40 FIAB CCc1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)cc(=O)c2c1 6811282 UASMCIHOBKNRPS-UHFFFAOYSA-N 357.793 4.270 0 40 FIAB Cc1cccc(-n2c(C)cc(/C=C(/Sc3nnc(C)o3)C(=O)O)c2C)c1 7365745 NUUBHNOBWUKIRE-LICLKQGHSA-N 369.446 4.312 0 40 FIAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)s1 7397711 UWKBCELHXMWNPG-NSHDSACASA-N 365.524 4.354 0 40 FIAB COc1ccc(OC)c(C(=O)COC(=O)c2sc3ccccc3c2C)c1 7568145 RTIGJGFAZRNLHZ-UHFFFAOYSA-N 370.426 4.267 0 40 FIAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1COc2ccccc2O1 7725341 KSTRGKAGUDFKPT-FQEVSTJZSA-N 371.396 4.008 0 40 FIAB Cc1cccc(NC(=O)Cc2nc(-c3ccc4c(c3)OCO4)cs2)c1 7845729 NLEAQBOUENPIIP-UHFFFAOYSA-N 352.415 4.028 0 40 FIAB CCOc1cc2c(cc1/C=C/C(=O)N[C@@H](C)c1ccccc1)O[C@@H](C)C2 8181746 XHCKPONNVHGQQI-ISEXYEMMSA-N 351.446 4.299 0 40 FIAB Cc1ccc(C)c(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c1 8280835 XXIWWWQZEVCOMH-UHFFFAOYSA-N 362.458 4.415 0 40 FIAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(C)(C)C)cc2)c1C 8413842 BYVCILFJEBFTPU-UHFFFAOYSA-N 352.478 4.312 0 40 FIAB CCNCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 8476351 FESFVHJCEOTYDL-MNIUHNAOSA-N 373.500 4.419 0 40 FIAB COc1cccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1 8590991 PVUOAGGUFXQNJJ-UHFFFAOYSA-N 359.389 4.049 0 40 FIAB COc1ccc2nc(SCC(=O)N3CCC[C@@H]3c3cccs3)[nH]c2c1 9366936 AKRANLSZCTVNGX-OAHLLOKOSA-N 373.503 4.089 0 40 FIAB Cc1cc(C(=O)CCC(=O)Nc2nc(-c3ccccn3)cs2)c(C)s1 9658170 NNWBJKPLZZUDJZ-UHFFFAOYSA-N 371.487 4.485 0 40 FIAB O=C(Nc1ccccc1O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10633711 PCXPUMUMLLRBSO-FQEVSTJZSA-N 359.381 4.099 0 40 FIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1F 11524056 KMLWDHSTAVDNLE-UHFFFAOYSA-N 359.401 4.427 0 40 FIAB COc1cc(OC)c(NC(=O)CSc2ccc(F)cc2)cc1Cl 11600863 MVUCOXCYPSKHHL-UHFFFAOYSA-N 355.818 4.227 0 40 FIAB Cc1ccccc1-c1cc(CC2(C(=O)N[C@@H](C)C(C)C)CCOCC2)on1 12365645 MUHNIUSFYKEQIA-KRWDZBQOSA-N 370.493 4.150 0 40 FIAB CN(Cc1ccc(F)cc1)Cc1nc(N)c2c3c(sc2n1)CCCCC3 12558229 UJYOPBSMFZREND-UHFFFAOYSA-N 370.497 4.314 0 40 FIAB Cc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1Cl 12627241 DEODSCKRRRUWJL-GOSISDBHSA-N 369.852 4.267 0 40 FIAB Cn1nc(C2CCN(Cc3ccccc3C(F)(F)F)CC2)c2cccnc21 12670251 IWYSIUNIOOINMY-UHFFFAOYSA-N 374.410 4.367 0 40 FIAB O=C(CCC(=O)c1ccc(Br)cc1)NCCC1=CCCCC1 12999553 UVVPFFUYSPSFER-UHFFFAOYSA-N 364.283 4.419 0 40 FIAB CCCCOc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1 13561324 PNOPWQPNMDXYPY-UHFFFAOYSA-N 352.434 4.328 0 40 FIAB O=C(CCc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695419 CGXGADORVQYKTQ-UHFFFAOYSA-N 360.413 4.054 0 40 FIAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NC2CC2)cc1 14121645 FRHRLKTWMRJEGA-UHFFFAOYSA-N 352.409 4.194 0 40 FIAB Cc1ccccc1NC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1 14182650 PWMCOXFJKUPPGY-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)cc1F 14898811 MNXQBFIWADBZGY-UHFFFAOYSA-N 364.380 4.237 0 40 FIAB CCc1ccccc1NC(=O)CCCc1nc(-c2ccc(OC)cc2)no1 15670017 JFRWSYDIJREXRJ-UHFFFAOYSA-N 365.433 4.269 0 40 FIAB Cc1nc2ccccc2n1CCNC(=O)c1cc(F)c(Cl)cc1Cl 16109754 SGDPMKAMBVLHIL-UHFFFAOYSA-N 366.223 4.221 0 40 FIAB Cc1ccc([C@H](C)NC(=O)c2ccc(I)cc2)cc1 20493093 SLVQQDUKILLWEK-LBPRGKRZSA-N 365.214 4.091 0 40 FIAB Cc1ccc(-c2nc(CSc3nnc(C(F)(F)F)n3C)co2)cc1 22969650 OBIMCWAVKWHEOA-UHFFFAOYSA-N 354.357 4.090 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1ccc(F)cc1 23142339 CJAIUJNDVLQAAO-NSHDSACASA-N 372.223 4.095 0 40 FIAB FC(F)(F)c1cc(NCc2ccc(-n3ccnc3)nc2)c2ccccc2n1 26140945 WNAUTRMECVGSFV-UHFFFAOYSA-N 369.350 4.446 0 40 FIAB Brc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 27789161 CTXGAVQUKPIMLY-UHFFFAOYSA-N 370.294 4.443 0 40 FIAB COc1ccc(OCc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 27983784 NFHKDPGKDPXVOB-HNNXBMFYSA-N 363.413 4.459 0 40 FIAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccc(Cl)cn1 28234281 LNZZAZYNBCENGI-SSDOTTSWSA-N 367.158 4.112 0 40 FIAB Cc1c([C@H](C)NC(=O)c2ccco2)cnn1-c1cccc(C(F)(F)F)c1 29317431 OWGLDLVYDOIVGQ-NSHDSACASA-N 363.339 4.284 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1CC 30859243 SQAYZTJPKFCIPQ-INIZCTEOSA-N 368.477 4.185 0 40 FIAB COC(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 30953032 LLDFYPRNCIRAQP-UHFFFAOYSA-N 361.319 4.064 0 40 FIAB Cc1ccc(F)cc1NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32578615 MIEMOYASVDOFGQ-UHFFFAOYSA-N 369.396 4.325 0 40 FIAB CCCc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)sc2C)cc1 32764431 YHLNNDWJQNLHBA-UHFFFAOYSA-N 367.474 4.022 0 40 FIAB O=C(c1cccnc1SC(F)F)N1CCC(c2ccc(O)cc2)CC1 32893827 UHKYIROFUICKMM-UHFFFAOYSA-N 364.417 4.122 0 40 FIAB COc1ccc2nc(C)c(C(=O)N3CCCc4ccc(F)cc43)cc2c1 32935102 IBIQIWIAPZVSNK-UHFFFAOYSA-N 350.393 4.284 0 40 FIAB CC(=O)Nc1cccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1 32935112 XERXBMCCKGXPLQ-FQEVSTJZSA-N 354.425 4.445 0 40 FIAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1sccc1-c1ccccc1 32966822 YANLKTKKIMQOMG-INIZCTEOSA-N 365.454 4.327 0 40 FIAB Cn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc(F)cc1 36178126 JZCSNXUANWMJRJ-UHFFFAOYSA-N 363.314 4.497 0 40 FIAB COc1ccc2sc(N(Cc3ccccn3)C(=O)C3CCC3)nc2c1 36692304 CMSRQFUAINDQQS-UHFFFAOYSA-N 353.447 4.033 0 40 FIAB CN(Cc1cccc(F)c1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 37133372 MIKFCILEIOSSRH-UHFFFAOYSA-N 374.362 4.350 0 40 FIAB Cc1cccc(NC(=O)COc2ncnc3sc4c(c23)CCCC4)c1C 39561718 AEXQALXZPXILRT-UHFFFAOYSA-N 367.474 4.204 0 40 FIAB COc1ccc(CC(=O)N(Cc2ccsc2)Cc2ccco2)cc1OC 42382059 XZBIKVTVEYOVBK-UHFFFAOYSA-N 371.458 4.130 0 40 FIAB O=C(CCc1nc(-c2cccnc2)no1)Nc1cccc(Cl)c1Cl 46419688 FZUAUHQGEALSGM-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB CCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2C2CCCCC2)cc1 47398174 WNXYNVXPSZHZST-SFHVURJKSA-N 364.511 4.057 0 40 FIAB COc1cc(CNC(=O)CCCc2ccc(Cl)c(Cl)c2)ccc1O 48364670 QEPGXLXMVRKLOO-UHFFFAOYSA-N 368.260 4.347 0 40 FIAB N=C1Nc2nc3ccccc3n2[C@H](c2ccc(F)c(-c3cccs3)c2)N1 48366867 SIQMDGKOQNMYDY-QGZVFWFLSA-N 363.421 4.401 0 40 FIAB O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CCCSCC1 50082742 KFSOUQQIZTXUIM-UHFFFAOYSA-N 360.454 4.376 0 40 FIAB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCSCC1 53818560 XATFASKNOUPLOY-UHFFFAOYSA-N 356.472 4.259 0 40 FIAB C[C@@H](NC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(F)cc1F 57185974 VPLJBXPVUWZZDX-CYBMUJFWSA-N 363.379 4.030 0 40 FIAB CCN(CC)[C@H](C)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58788083 BTVSIMFTNFWNNK-SNVBAGLBSA-N 370.337 4.184 0 40 FIAB COc1cccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)c1 61997121 DQWJUHRBEVXZIA-UHFFFAOYSA-N 352.390 4.390 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc2[nH]c(=S)oc2c1 79111951 BFERIFPZKMYRNK-UHFFFAOYSA-N 358.467 4.141 0 40 FIAB O=C(NCCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1Cl 80365426 SOODJYKEOHSGSW-UHFFFAOYSA-N 362.216 4.016 0 40 FIAB Cc1cccc(Oc2ncccc2NC(=O)N2CCCSCC2)c1C 84219268 WRJPOSUQOZTXOZ-UHFFFAOYSA-N 357.479 4.462 0 40 FIAB O=C(Nc1cccc(C2SCCS2)c1)N(C[C@@H]1CCOC1)C1CC1 84374410 VCQFVVORRHEZQL-ZDUSSCGKSA-N 364.536 4.198 0 40 FIAB O=C(NCc1cccs1)N1CCO[C@@H](c2cc(Cl)cc(Cl)c2)C1 90613858 NPCWAEUSDOWMMP-OAHLLOKOSA-N 371.289 4.338 0 40 FIAB COc1cc(CO)c(Br)cc1OCc1cccc(Cl)c1 95095082 MCLFNLPBVDUNJF-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB O=c1[nH]n(C2CCCC2)c2c1[C@@H](c1ccccc1Cl)SCC(O)=N2 95480830 OLIKCGVEVAQUDN-OAHLLOKOSA-N 363.870 4.369 0 40 FIAB CCCC1(CCC)COC2(CCN(CCCN(CC)CC)CC2)OC1 95947275 RGSHVBUWGLZOIK-UHFFFAOYSA-N 354.579 4.144 0 40 FIAB Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccc(C)o2)CC3)c1 96049436 FGLKOEIJZSXIJZ-UHFFFAOYSA-N 352.478 4.054 0 40 FIAB CO[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)C1 96122223 ZRXSQLUEBHZTNK-OAHLLOKOSA-N 364.367 4.183 0 40 FIAB CC(=O)Nc1ccc(CC(=O)NCc2ccccc2-c2ccsc2)cc1 96122919 KSRCEQMCHGETMC-UHFFFAOYSA-N 364.470 4.232 0 40 FIAB COc1ccc(Cn2c(C)nnc2-c2ccc(Br)cc2)cc1 98072782 YMJHVVWEYLBWNG-UHFFFAOYSA-N 358.239 4.073 0 40 FIAB C[C@]12C[C@@H](Cc3ccccc3)N(Cc3ccccc3)[C@H]1CCCCC(=O)N2 219773196 SLHHSNZIBXVQSI-GPXNEJASSA-N 362.517 4.321 0 40 FIAB Cc1ccc(SCCNC(=O)COc2ccc3ccccc3c2)cc1 222831563 KLEBXLZTVBKCPW-UHFFFAOYSA-N 351.471 4.436 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 222866775 RXERFMVOMMZRBU-MOPGFXCFSA-N 369.461 4.271 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1Cl 223624106 TZAFXXCQGUSPAB-UHFFFAOYSA-N 372.852 4.227 0 40 FIAB CCOc1cccc(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 223875768 MEOPHYAVRXZDPG-UHFFFAOYSA-N 357.431 4.048 0 40 FIAB CC(C)CSc1nnc(NC(=O)CCSc2ccccc2)s1 224041147 WGFMQFDJLYNKBS-UHFFFAOYSA-N 353.538 4.407 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC1CCCC1 224364844 CXGIUXKWUXVPRP-SFHVURJKSA-N 364.917 4.306 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCc1ccc(F)cc1 225126660 ZZRHMWFHCWLYEA-NRFANRHFSA-N 355.453 4.221 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCCc2cccc(C)c2)c1C 225393042 IGMMFHIBWYPHDL-UHFFFAOYSA-N 370.518 4.399 0 40 FIAB CCc1ccc(NC(=S)NCc2ccccc2-n2ccnc2C)cc1 225449448 MKIJVGFSRVJXKM-UHFFFAOYSA-N 350.491 4.230 0 40 FIAB Cc1ccc2c(c1)NC(=O)CN(C(=O)c1ccccc1)[C@@H]2c1ccccc1 225537175 LDHQJWMLBSFHDV-JOCHJYFZSA-N 356.425 4.179 0 40 FIAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc3c(c1)OCO3)CC(C)(C)O2 225673526 CICWSISYJRRKRY-HNNXBMFYSA-N 370.474 4.313 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1SC)CCCC2 225883064 RVRJUUPPPXHYDY-UHFFFAOYSA-N 363.504 4.097 0 40 FIAB C[C@H]1CCC[C@@H](NC(=O)CCCCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)[C@H]1C 248049470 APIOFWMIYQNSTG-APNJTCTJSA-N 364.574 4.429 0 40 FIAB Cc1nc(C(=O)N2Cc3ccccc3[C@@H](c3nccn3C(C)C)C2)cs1 306125935 DGIBPORVWBBRFV-KRWDZBQOSA-N 366.490 4.017 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 408624217 BQFDWSIKTHWCII-CQSZACIVSA-N 371.481 4.331 0 40 FIAB COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409066601 LSAPTIBQOHXLSS-RIYZIHGNSA-N 363.200 4.099 0 40 FIAB Cc1cccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2)c1 409230355 CFVGFPAJLOQBSY-UHFFFAOYSA-N 368.502 4.174 0 40 FIAB CC(=O)NCc1ccc(-c2nc(-c3ccccc3C(F)(F)F)no2)cc1 545533566 RSQHGDXRAUUUJP-UHFFFAOYSA-N 361.323 4.059 0 40 FIAB FC(F)(F)c1cccnc1N1CCC(c2ccc3cccnc3n2)CC1 656214928 LILLJYPCPNKXNE-UHFFFAOYSA-N 358.367 4.428 0 40 FIAB CC1(C)CN(C(=O)NCC(F)(F)C(C)(C)C)[C@H]1c1nccn1CC1CC1 685938937 UDWNOEGAEUPWQG-AWEZNQCLSA-N 368.472 4.067 0 40 FIAB O=C([C@H](Nc1ccc2c(c1)CCCO2)c1ccccc1)N1CCCCC1 725843394 VDCKOQYIZXMCKS-OAQYLSRUSA-N 350.462 4.177 0 40 FIAB Fc1ncnc(NCc2ccnc(-c3ccccc3)c2)c1Br 1559251229 IHEYPGSSWYKDQP-UHFFFAOYSA-N 359.202 4.052 0 40 FIAB Brc1ccc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)o1 1775973291 LSRDKCWBPFDINS-UHFFFAOYSA-N 372.266 4.326 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)c2ccncc2F)CN1c1ccc(F)cc1 2037989015 RIFBUZSTRPYMIT-NRFANRHFSA-N 371.431 4.024 0 40 FIAB CSc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2 869771 KIAYDFFOHBFGJY-UHFFFAOYSA-N 369.412 4.141 0 40 FIAB CCCOc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)cc1OC 2126749 BSCXKXYPXYVBLR-NRFANRHFSA-N 366.461 4.209 0 40 FIAB biogenic CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2)n2ncnc2N1 2461763 KOARYGUMAYULNA-QGZVFWFLSA-N 372.856 4.096 0 40 FIAB CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccc(C(C)C)cc3)N2C1=O 2463387 TXEIIHQNBNFWGE-NVXWUHKLSA-N 372.490 4.022 0 40 FIAB Cc1c(Cl)cccc1Nc1nnc(Cc2ccccc2Cl)c(=O)[nH]1 2719001 YFGZXVHTYXIDPD-UHFFFAOYSA-N 361.232 4.115 0 40 FIAB O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccccc1Cl 2794423 SWYOZHWXSYSUPA-UHFFFAOYSA-N 365.195 4.025 0 40 FIAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccccc2)CSC3)c1C 3008351 RJRQZOQIHJJSQP-UHFFFAOYSA-N 363.486 4.417 0 40 FIAB S=C(Nc1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 3286780 WSCOEDVASNROQD-UHFFFAOYSA-N 359.926 4.291 0 40 FIAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4ccccc4C)C3=O)ccc2c1 3442674 NDCFYBINAIBJSY-QHCPKHFHSA-N 374.440 4.124 0 40 FIAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(N(C)C)cc3)[nH]2)cc1 4161547 XCDNJUDJTHZHDH-UHFFFAOYSA-N 366.490 4.182 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc2ccccc2c(=O)o1 4248127 ANHQFZOWTZIDSG-UHFFFAOYSA-N 362.410 4.093 0 40 FIAB CCOc1ccccc1N1C[C@H](C(=O)Nc2cc(Cl)ccc2C)CC1=O 4385234 AAPQOZAZHFXXBL-CQSZACIVSA-N 372.852 4.039 0 40 FIAB COc1cc(OC)cc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 5497648 PGXMLOTYWCFRML-OAHLLOKOSA-N 365.429 4.113 0 40 FIAB CCN(CC)CCOc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1 5665638 JINBCBSHHFEMAY-UHFFFAOYSA-N 362.477 4.113 0 40 FIAB O=C(COc1ccc(F)cc1)Nc1ccc(Br)cc1Cl 6260051 KCPDNMBAOXDOPX-UHFFFAOYSA-N 358.594 4.259 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccnc2)cs1 6477190 XOIRCIIHKAZLCY-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB CCc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 6628109 OSELSGIUFJLMHU-UHFFFAOYSA-N 369.424 4.200 0 40 FIAB CCCCc1ccc(NC(=S)N2CCN(Cc3ccco3)CC2)cc1 6629220 BASLRFXBZIUVDP-UHFFFAOYSA-N 357.523 4.137 0 40 FIAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(COc4ccccc4)nc3c12 6669965 VBKIJYHMXZIYBP-UHFFFAOYSA-N 369.428 4.264 0 40 FIAB O=C1c2ccccc2N[C@H](c2cnn(-c3ccccc3)c2)N1CC(F)(F)F 7113687 OFDOWBAZPMJFLE-KRWDZBQOSA-N 372.350 4.001 0 40 FIAB Cc1cc(Br)ccc1NC(=O)Cn1cc(C=O)c2ccccc21 7278327 UMZNODBKGWWOOX-UHFFFAOYSA-N 371.234 4.163 0 40 FIAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(C)n1C1CC1)c1ccccc1 7618051 VPHGNIBYYBGLFA-CXAGYDPISA-N 358.511 4.060 0 40 FIAB Cn1cccc1[C@H]1CCCN1CC(=O)NC(c1ccccc1)c1ccccc1 7853447 ZTRJWZHPKJSLPS-JOCHJYFZSA-N 373.500 4.068 0 40 FIAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCCCCC2)cs1 7912503 CRLJRHLSURGPPR-VAWYXSNFSA-N 369.490 4.244 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)cc1 8041755 YARIYJMVTMUVAW-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB CCc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)oc1=S 8088481 WQMBFHYZUJZBIC-UHFFFAOYSA-N 353.447 4.382 0 40 FIAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 8392366 ZXERMTFIGPNRFH-CYBMUJFWSA-N 371.437 4.139 0 40 FIAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2C)n2ncnc2N1 8609888 JUIUNYVGBNJCOX-FQEVSTJZSA-N 373.460 4.131 0 40 FIAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2cccc(C)c2C)o1 8613824 MZWJBVIOOSJWDY-UHFFFAOYSA-N 353.418 4.406 0 40 FIAB O=C(O)c1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 8811437 HNWFXSRVFNQATQ-WSDLNYQXSA-N 354.793 4.422 0 40 FIAB O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(-c2ccccc2)[nH]n1 12602804 YZSDXMDBYYAAEA-HNNXBMFYSA-N 353.422 4.183 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12793395 PRACALHMSNYDCH-LJQANCHMSA-N 367.445 4.222 0 40 FIAB O=C1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(F)cc2N1 12820469 AIZIAKPIASYDAX-ZDUSSCGKSA-N 353.180 4.197 0 40 FIAB CCOC(=O)c1ccsc1NC(=O)COc1ccc2ccccc2c1 12821577 XNZBAEPIDZBJJE-UHFFFAOYSA-N 355.415 4.096 0 40 FIAB CCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)cc2)cc1OC 12896775 LBYSGBYJBPNFKJ-UHFFFAOYSA-N 363.841 4.076 0 40 FIAB Nc1cc(Cl)ccc1C(=O)OCc1csc(-c2ccsc2)n1 12988344 RTVOPSNEVNOWQM-UHFFFAOYSA-N 350.852 4.464 0 40 FIAB CCCc1ccc2[nH]c(=O)c(CNc3ccc(OC)c(OC)c3)cc2c1 13561392 BMARBDLPLGGTOE-UHFFFAOYSA-N 352.434 4.110 0 40 FIAB CCC[C@H]1C(=O)C[C@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 13786532 XVELDBZHBLEZHS-TUNNFDKTSA-N 353.462 4.465 0 40 FIAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1C(=O)c1ccccc1 15349934 QZXCMFUUEJOUMO-KRWDZBQOSA-N 370.452 4.307 0 40 FIAB Cc1cccn2cc(CSc3nnc4sc5ccccc5n34)nc12 15911895 BNGMUBQGRCJTEU-UHFFFAOYSA-N 351.460 4.192 0 40 FIAB Cc1cc(C)c(CNC(=O)c2ccc(-c3ccc(Cl)cc3)s2)c(=O)[nH]1 16104542 HIDVHOQEAFBUOP-UHFFFAOYSA-N 372.877 4.304 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1C 16644399 ZGVZKTMYAAZZIZ-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB COc1cc2ccccc2cc1C(=O)N1CCN(c2cccc(C)c2C)CC1 16644415 YJBPVRXVFCDTBN-UHFFFAOYSA-N 374.484 4.428 0 40 FIAB CN(C)CCN(Cc1cccnc1)CC1(c2ccc(F)cc2)CCCC1 19582632 FCPZCUQZWDDXOZ-UHFFFAOYSA-N 355.501 4.096 0 40 FIAB CCCn1c(=N)n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c2ccccc21 19706955 KPZLSFBZHRSCPA-QGZVFWFLSA-N 364.276 4.373 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccccc1C 22524536 MDMKDDDEDLUACA-KRWDZBQOSA-N 357.519 4.374 0 40 FIAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2nnc(C3CC3)s2)CC1 23140767 FNHMDXBDQKIDBU-UHFFFAOYSA-N 361.898 4.018 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-n2cccn2)cc1 24587697 JKARWRMSQQZNLP-UHFFFAOYSA-N 362.216 4.197 0 40 FIAB O=C(NCCOc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 24624948 VPZCYDLLMFFRKZ-UHFFFAOYSA-N 366.461 4.014 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 24963329 SJABKPUQVYSGAD-UHFFFAOYSA-N 369.808 4.159 0 40 FIAB Cc1c(C(=O)Nc2nc3c(s2)CCCCC3)[nH]c2c1C(=O)CC(C)(C)C2 25063828 BTELCYLLCDVBJW-UHFFFAOYSA-N 371.506 4.456 0 40 FIAB O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(F)c(F)c1F 32664855 TUERWPHORROEIJ-UHFFFAOYSA-N 374.362 4.338 0 40 FIAB CCOc1ccc([C@H](C)NS(=O)(=O)C2=Cc3ccccc3CC2)cc1 32865580 CAZAVKGUMQCSKC-HNNXBMFYSA-N 357.475 4.053 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 32909990 HAYUHYGGVZAKFI-LAUBAEHRSA-N 365.473 4.129 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1OC 38834979 CMYJPEUFTSDQTA-UHFFFAOYSA-N 368.477 4.332 0 40 FIAB Cc1ccccc1CNC(=O)C1CCN(Cc2ccccc2Cl)CC1 39762420 BICPVGPDJDZMDT-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)o1 40050287 HYWSOJXOUABKCY-DLLVFACCSA-N 364.445 4.291 0 40 FIAB CC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3nc2Cl)CC1 40434728 RKSROIYKSSMFBZ-UHFFFAOYSA-N 362.861 4.095 0 40 FIAB CN(C(=O)c1ccc(CSc2nccn2C)o1)[C@@H]1CCc2ccccc21 46332706 MXXAFCWVOGRGNL-QGZVFWFLSA-N 367.474 4.065 0 40 FIAB C[C@H](Sc1nncs1)C(=O)N(C)C1CCC(c2ccccc2)CC1 55201002 ZUIDTUKXOCQQND-JEYLPNPQSA-N 361.536 4.204 0 40 FIAB CN(C(=O)c1cccc(C[S@](C)=O)c1)C1CCC(c2ccccc2)CC1 58218814 BXMPKBZEWADUJZ-YBFPRZSNSA-N 369.530 4.364 0 40 FIAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)CC2=O)c1 59227305 HHBWGIOYSSAILJ-ZDUSSCGKSA-N 362.351 4.005 0 40 FIAB COc1ccc(NC(=S)Nc2ccccc2Br)cc1F 71325908 RHBYSIBVMPLOLD-UHFFFAOYSA-N 355.232 4.406 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1 78457809 WDGXHJLUYMXJPE-CYBMUJFWSA-N 362.267 4.268 0 40 FIAB O=C1[C@@H](Oc2ccc(F)c(Cl)c2)CCN1c1ccccc1OC(F)F 84505979 QLIIFUUZEBZKSC-HNNXBMFYSA-N 371.742 4.265 0 40 FIAB COc1nc(C)cc(C)c1-c1noc(Cc2cccc(Br)c2)n1 95429391 FNTADQIBPBAKJR-UHFFFAOYSA-N 374.238 4.110 0 40 FIAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 95453192 ODIPTRXBFHBDBE-RQMBKDMJSA-N 365.477 4.119 0 40 FIAB COC(=O)c1cc2ccccc2cc1NC(=O)c1coc(Br)c1 95950177 OQKCZHBEPXPLKQ-UHFFFAOYSA-N 374.190 4.234 0 40 FIAB CN1CCCc2ccc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)cc21 141544064 MEBZQUPUFWIURV-OAHLLOKOSA-N 367.493 4.460 0 40 FIAB CC(C)C(NC(=O)COc1ccc(Cl)cc1Br)C(C)C 218853283 YHRLNOKBBRSQED-UHFFFAOYSA-N 362.695 4.278 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2C)c(C)c1 218968348 NQBQNSREJMNKIA-UHFFFAOYSA-N 355.434 4.114 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccccc2OC)cc1 219563593 FLJBKKNXTCYDCZ-LJQANCHMSA-N 371.477 4.000 0 40 FIAB CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)CC 222396036 UZYRBTJMARPVAW-UHFFFAOYSA-N 374.506 4.238 0 40 FIAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223119244 OHTJFBIZCDWXNW-MOPGFXCFSA-N 354.523 4.208 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C)cc3)ccc2c1 224020628 BQIQSMDLZCJWPL-HNNXBMFYSA-N 355.459 4.196 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NCC 224436890 PZLWOQSIHSEJJH-OAHLLOKOSA-N 359.297 4.037 0 40 FIAB COc1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)cc1F 225580128 UOPMFVWRIYJVIV-UHFFFAOYSA-N 369.381 4.146 0 40 FIAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225611716 BPZQTGVORGXKEH-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(OC)c(OC)c1 225702840 UUBXDTISJZRWQY-QGZVFWFLSA-N 372.490 4.076 0 40 FIAB O=C(CCc1ccc(F)cc1)NCCSCc1ccccc1Cl 225868541 HDFZQIOJLQDYSG-UHFFFAOYSA-N 351.874 4.461 0 40 FIAB Cc1nc(-c2nccs2)cc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 257330017 XMKUIABPYOOSGP-UHFFFAOYSA-N 360.483 4.023 0 40 FIAB COc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3)nn2)cc1OC 408530630 JXUVTDIJERJSJP-UHFFFAOYSA-N 370.792 4.033 0 40 FIAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(C)c2OC)c1 408621823 OGRJVXNQRSYUMS-LBPRGKRZSA-N 372.490 4.350 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408623333 STSNXEOOMQUOLL-UHFFFAOYSA-N 374.440 4.194 0 40 FIAB COc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)ccc1C 408809998 ITFPHJKMPUYRSQ-UHFFFAOYSA-N 369.466 4.084 0 40 FIAB CCCN1C(=O)N/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 409239827 QSRHEJJAVWIPOK-DEDYPNTBSA-N 373.456 4.301 0 40 FIAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@@H](c3ncc[nH]3)C1)CC2 548660920 LUSTVCBFDWUOOY-MJGOQNOKSA-N 352.482 4.110 0 40 FIAB COc1ccc(/C=C/C(=O)NCc2ccc(-c3cccs3)o2)cc1OC 575609028 NFMGXHHIKQQARB-UXBLZVDNSA-N 369.442 4.355 0 40 FIAB CN(CCOC[C@H]1CO1)C(c1ccccc1)(c1ccccc1)c1ccccc1 669368905 PVIOSHAXSOMCLM-DEOSSOPVSA-N 373.496 4.326 0 40 FIAB O=C(NC[C@H]1C[C@H]1c1cccc(F)c1)c1cc(-c2ccc(F)cc2)on1 1775977280 SMDGHEVKTIZGDD-PBHICJAKSA-N 354.356 4.153 0 40 FIAB Cc1cccc2sc(N3CCN(c4nc5c(s4)CCCC5)CC3)nc12 1888970071 UUFJTXLFOJOWIE-UHFFFAOYSA-N 370.547 4.267 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CCCC2 795362 OUNKQNULHRNFSW-UHFFFAOYSA-N 357.262 4.346 0 40 FIAB CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883904 CKXDOBKPRDBQIH-LLVKDONJSA-N 369.412 4.169 0 40 FIAB CCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(F)cc2)s1 1356324 WVBNJQLCFRMDQW-UHFFFAOYSA-N 357.410 4.020 0 40 FIAB O=C(O[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1)c1cccs1 1381248 FWUZOUUISKKGME-GOSISDBHSA-N 369.417 4.102 0 40 FIAB O=C(O)N[C@@H](c1ccccc1)[C@H](NC(=O)c1ccccc1)c1ccccc1 1615969 JGBLEKJGTAQZHB-UXHICEINSA-N 360.413 4.167 0 40 FIAB Cc1ccc(NC(=O)OCC(F)(F)F)cc1NC(=O)OCC(F)(F)F 1741462 NFCSOMUIDKOUFP-UHFFFAOYSA-N 374.237 4.217 0 40 FIAB C[C@@]1(C(=O)Nc2scc(-c3ccccc3)c2C(N)=O)CC1(Cl)Cl 2104792 RZAYRZMLWQJPQK-HNNXBMFYSA-N 369.273 4.036 0 40 FIAB CCCCc1nc2sc3c(SCCO)ncnc3c2c2c1CCC2 2406712 PGPJSKPFHIDGFX-UHFFFAOYSA-N 359.520 4.155 0 40 FIAB CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccncc2)n1 2413747 CCNYXINCYAGCJF-UHFFFAOYSA-N 374.400 4.268 0 40 FIAB CCOc1ccc(C(=O)NCCSc2c(C)[nH]c3ccccc23)cc1 2721087 LMBLIZFCFRVBFT-UHFFFAOYSA-N 354.475 4.397 0 40 FIAB C[C@@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1ccccc1 3474759 DUOZBXLFXHHAPS-QGZVFWFLSA-N 359.425 4.174 0 40 FIAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(N)=O 3481119 MCUUSDNREDKHNN-ZDUSSCGKSA-N 372.538 4.324 0 40 FIAB CCCCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 4413004 NZEINZQADWNFRY-FQEVSTJZSA-N 353.462 4.151 0 40 FIAB biogenic O=C1C[C@H](c2cccs2)Cc2nc(N3CCc4ccccc4C3)ncc21 4777121 UZOYJZCKQUYWDU-MRXNPFEDSA-N 361.470 4.014 0 40 FIAB COc1ccc(CNCC[C@]2(c3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1 4785494 RTMYNEJVZJZFHI-NMMYMHLASA-N 366.549 4.473 0 40 FIAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1cccc(Cl)c1Cl 4870133 NPHYUTHOZNFNDY-QJPTWQEYSA-N 356.249 4.301 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccccc1F 5136170 QREZIHGSYRTMEE-UHFFFAOYSA-N 364.376 4.264 0 40 FIAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1ccco1 6747369 PYQPZDUOICTKTJ-UHFFFAOYSA-N 359.809 4.442 0 40 FIAB Cc1noc(C)c1CSCC(=O)NCc1ccc(Cl)cc1Cl 6787509 MIVIRMIMFOWGCQ-UHFFFAOYSA-N 359.278 4.148 0 40 FIAB COc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)c(OC)c1 6866174 BSLQJOGUTHHYNM-SXGWCWSVSA-N 357.793 4.010 0 40 FIAB Cc1cccc(-c2nnc(CSc3nnc(C)n3-c3ccccc3)o2)c1 7229733 HQSBTTZVYQPHTM-UHFFFAOYSA-N 363.446 4.226 0 40 FIAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc2ccccc2o1 7681518 DCEMMBFHKNJTKV-UHFFFAOYSA-N 357.841 4.250 0 40 FIAB CC(=O)c1c[nH]c(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1 8259008 NBGVCPAKPOXHHW-UHFFFAOYSA-N 360.822 4.351 0 40 FIAB O=C(CSc1nnc(NCc2ccco2)s1)c1c[nH]c2ccccc12 8312619 RVWXKCOFHALZPZ-UHFFFAOYSA-N 370.459 4.200 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc(OC(F)(F)F)cc1 8317019 IXAQNCGYOICLCE-UHFFFAOYSA-N 355.287 4.326 0 40 FIAB CCCOC(=O)c1ccc2nc(C)c(CN(CCC)CCC)c(O)c2c1 8717189 COGIRNCQCDJZPV-UHFFFAOYSA-N 358.482 4.438 0 40 FIAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(Cl)cc1Cl 8753256 AMOYHTFZZNLVSS-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB Cc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccc(F)cc3)c2s1 8955571 GNTUGTWBSVXVJL-UHFFFAOYSA-N 365.433 4.210 0 40 FIAB CCOc1ccc(-c2nnc(NC(=O)CCc3ccccc3)s2)cc1 9137369 ZNVXYBWCPKRHIL-UHFFFAOYSA-N 353.447 4.175 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCCC3)cc2c1 9232385 KMWKOWPTHGKGCC-UHFFFAOYSA-N 364.445 4.405 0 40 FIAB Cc1c(Cl)cccc1Nc1nnc(S[C@@H]2C[C@@H](C)OC2=O)s1 9376086 ZSEUMVHTKQMOFF-RDDDGLTNSA-N 355.872 4.040 0 40 FIAB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)NC3=NCCS3)c2c1 9548100 NQZUUIXHBPZZCM-UHFFFAOYSA-N 369.515 4.356 0 40 FIAB CCOC(=O)c1c(C2CC2)csc1NC(=O)CCc1ccc(OC)cc1 9579274 CCOWEFNQFTUFLM-UHFFFAOYSA-N 373.474 4.382 0 40 FIAB CCCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OC)cc1 11914147 MEIHYPASDKYZIG-UHFFFAOYSA-N 367.405 4.176 0 40 FIAB Cc1c(C(=O)NCCc2nc(-c3ccccc3)no2)oc2c(C)cccc12 12198338 NOVLETSDDKBCNL-UHFFFAOYSA-N 361.401 4.072 0 40 FIAB CCN(CC)CCNc1ncc(-c2ccsc2)c(-c2nccs2)n1 12274909 JCQWQJJNMZMRRT-UHFFFAOYSA-N 359.524 4.082 0 40 FIAB CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 12503210 QTTRZHGPGKRAFB-LOWUWHPFSA-N 370.533 4.497 0 40 FIAB world C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cc(F)cc(F)c1 12802802 NJAZJZLXNVZQIZ-NSHDSACASA-N 361.417 4.206 0 40 FIAB Cc1cc(NC(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)no1 12926687 SCPQSCZRFSAYLS-HNNXBMFYSA-N 366.446 4.479 0 40 FIAB O=C(Nc1ccc(Cl)cc1F)c1nn(-c2ccccc2)c2c1CCC2 12993862 ZFFWEWVMSGBCGG-UHFFFAOYSA-N 355.800 4.406 0 40 FIAB CCOC(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)cc2)c1 13613777 JEPYLOQOMGYCSU-UHFFFAOYSA-N 352.434 4.106 0 40 FIAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(O)cc2)cc1OC 13989890 NDLFCHIKUVGJJN-UHFFFAOYSA-N 364.445 4.007 0 40 FIAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2C)sc2c1CCCC2 13993700 ZXRJUUAEGHKCEY-CYBMUJFWSA-N 373.474 4.128 0 40 FIAB CN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 14374378 KROQGUJZVZNAKJ-MDWZMJQESA-N 368.864 4.139 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 14399057 ZUOQNOLIXHDRCK-HNNXBMFYSA-N 369.461 4.485 0 40 FIAB COc1ccccc1OCC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 15833263 FBSZVDOPEYATQX-CYBMUJFWSA-N 374.506 4.320 0 40 FIAB CN(CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccc2ccccc2c1 16342962 HZMJXIHQXSFEFZ-UHFFFAOYSA-N 350.437 4.069 0 40 FIAB CNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 16917030 DIVNQXBYLGCAMK-UHFFFAOYSA-N 350.813 4.254 0 40 FIAB Cc1cc(NC(=O)c2ccco2)n(-c2nc(-c3cccs3)cs2)n1 17012072 VCAYBDVVJZCTKS-UHFFFAOYSA-N 356.432 4.211 0 40 FIAB O=C(NCCc1ccccc1F)c1cc(-c2ccncc2)nc2ccccc12 18123346 GPZYCYVIGAIONK-UHFFFAOYSA-N 371.415 4.408 0 40 FIAB COc1ccc(-c2c/c(=N\CCCC(=O)O)c3cc(C)ccc3o2)cc1 19792886 OZSNAPNWXCGVEU-RELWKKBWSA-N 351.402 4.182 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCc1ccc(OC)cc1 20492604 ULGARGVQSXSAJH-NRFANRHFSA-N 363.457 4.365 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2ccco2)CC1 20509319 YUTPCRQAYQXEND-UHFFFAOYSA-N 374.484 4.146 0 40 FIAB COc1ccc([C@H]2CC(=O)c3c(C)nn(-c4ccc(OC)cc4)c3C2)cc1 20633096 PSYBHOPMCOZZTA-MRXNPFEDSA-N 362.429 4.111 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(Cl)c1)SCC(O)=N2 20720833 XOLROXIMHFMFGT-HNNXBMFYSA-N 371.853 4.048 0 40 FIAB CC[C@@H](CNC(=O)c1ccc(CSc2ncn[nH]2)cc1)c1ccccc1 22243459 WKBOBCLBPBGEJB-INIZCTEOSA-N 366.490 4.021 0 40 FIAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 25045774 UWGNLLBUNQYCQV-UHFFFAOYSA-N 373.378 4.378 0 40 FIAB COc1ccccc1-n1c(S[C@H]2CCCC2=O)nnc1-c1cccs1 25053822 SAUODNSOQBZCFE-HNNXBMFYSA-N 371.487 4.218 0 40 FIAB Cn1c(SCc2csc(Nc3ccccc3)n2)nnc1C(F)(F)F 25677713 DCXNOXITURLUDY-UHFFFAOYSA-N 371.413 4.326 0 40 FIAB Cc1c([C@H](C)NC(=O)N[C@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 29327944 GKDSPSSYZGSAOP-CABCVRRESA-N 366.440 4.441 0 40 FIAB Cc1ccccc1-n1ncc(C(=O)Nc2nc(C)c(C)s2)c1C1CC1 29779080 FCRIQQCEXPFVHL-UHFFFAOYSA-N 352.463 4.384 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(C(=O)OC)ccc1C 30754806 OTEZIDXHEVCPAU-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc2c(s1)CCCC2 30765752 VPHPWHRZSPQGSA-UHFFFAOYSA-N 352.891 4.089 0 40 FIAB O=C(NCc1cccnc1-n1ccnc1)c1sc2ccccc2c1Cl 32778128 NZALPKURMTYTSG-UHFFFAOYSA-N 368.849 4.065 0 40 FIAB OC[C@H](CNc1nc(-c2ccccc2)nc2ccccc12)Cc1ccco1 32909013 WYRITTXSGNKWCD-INIZCTEOSA-N 359.429 4.153 0 40 FIAB Cc1ccc(-c2onc(C)c2C(=O)Nc2ccc3nsnc3c2)cc1 35672337 MZEKGNURWQFHJL-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB O=C(Nc1cccs1)Nc1nc(CN2CCc3ccccc3C2)cs1 38488565 YKNNSSRXRLFWIZ-UHFFFAOYSA-N 370.503 4.407 0 40 FIAB COc1ccccc1OCC(=O)N[C@H](c1ccccc1)c1ccccc1C 38756027 ORTZYTDYKVODIO-HSZRJFAPSA-N 361.441 4.288 0 40 FIAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCc1ccccc1OC 44880730 MOTMUBUSALDIIG-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB CC(C)c1noc(CCCC(=O)Nc2ccccc2OC2CCCC2)n1 46666777 MAPLBYBFUKJCDT-UHFFFAOYSA-N 357.454 4.476 0 40 FIAB CC1CCN(CCCNC(=O)Nc2ccc(SC(F)F)cc2)CC1 48333062 ZKJKQCTYAPZZTA-UHFFFAOYSA-N 357.470 4.245 0 40 FIAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 48661050 FYKZCEKHVALQHH-UHFFFAOYSA-N 374.790 4.304 0 40 FIAB Cn1ncc2c1N=C(O)C[C@H]2c1ccc(OCc2cccc(F)c2)cc1 49548901 BLVOOCLYCSIHGY-KRWDZBQOSA-N 351.381 4.262 0 40 FIAB CN(c1ccccc1)c1ccccc1NCc1nnnn1-c1ccccc1 55866439 PBLYBNIXWKHXBW-UHFFFAOYSA-N 356.433 4.042 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)[C@H](C(=O)NC1CC1)c1ccccc1 57449801 JATAXSQEMHBRKH-SFHVURJKSA-N 362.395 4.157 0 40 FIAB O=C(Nc1ccn(CCc2ccncc2)n1)c1cc(Cl)sc1Cl 58209149 JFZWMEIXXGJRRD-UHFFFAOYSA-N 367.261 4.141 0 40 FIAB Cn1ccnc1SCc1ccc(C(=O)N2CCCc3cc(F)ccc32)o1 58246104 OYDXYBUIIFDXAI-UHFFFAOYSA-N 371.437 4.038 0 40 FIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cnc(-c2ccccc2)nc1 58418949 ILVXTCQWYNJVKZ-UHFFFAOYSA-N 361.489 4.432 0 40 FIAB COCCN(Cc1ccccn1)C(=O)c1sc2ccccc2c1Cl 59923913 RUGCRESCAQVGET-UHFFFAOYSA-N 360.866 4.239 0 40 FIAB Cc1ccc2nc3c(c(C(=O)Nc4nnc(C(F)F)s4)c2c1)CCCC3 67524417 OELHZJOLAWZLPB-UHFFFAOYSA-N 374.416 4.463 0 40 FIAB O=C(NCCCNc1ncccn1)c1cc2sc3ccccc3c2s1 69516251 VOGWMJCMJCKJRV-UHFFFAOYSA-N 368.487 4.138 0 40 FIAB Cc1ccccc1[C@H]1CN(c2nc(-c3ccncc3)nc(C)c2C)CCO1 78367301 PXDKLNCUNYIABZ-HXUWFJFHSA-N 360.461 4.042 0 40 FIAB O=C(/C=C/c1cccc(Cl)c1Cl)N1CCC[C@H](c2ccn[nH]2)C1 89768057 QVRVXVXGCVXHQE-YBJDMEARSA-N 350.249 4.136 0 40 FIAB CCc1nc2ccccc2n1C1CCN(C(=O)c2cccc(OC)c2)CC1 93022284 IPRLMOQQDFLBAD-UHFFFAOYSA-N 363.461 4.085 0 40 FIAB O=C(O)CC[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 95424571 HLOZYFSMVWRTKI-HNNXBMFYSA-N 357.793 4.422 0 40 FIAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1cccc(O)c1)SCC(O)=N2 95474679 MIHBFBDORJIHFY-QGZVFWFLSA-N 373.478 4.202 0 40 FIAB O=C(CSCc1ccccn1)N1C[C@@H]2CCCC[C@]21c1ccccc1 95965535 PBDMWNPJCCICHW-RXVVDRJESA-N 352.503 4.243 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 100423173 RXPRGCSZFPTFAX-SFTDATJTSA-N 365.546 4.477 0 40 FIAB CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2 100786953 YPPYAMYQQIFVIZ-GOSISDBHSA-N 359.433 4.073 0 40 FIAB CCOC(=O)[C@H]1C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 135892631 UJAQRLRRCXIJFW-UZKOGDIHSA-N 352.478 4.239 0 40 FIAB Cc1ccc(CC(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1 156912621 MULJURHDZISVDE-UHFFFAOYSA-N 361.232 4.064 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)c1 219513233 WYAXVXWDYPAPAY-INIZCTEOSA-N 355.434 4.195 0 40 FIAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C 222915331 KUHNEDMSMLNEDG-RBUKOAKNSA-N 356.539 4.148 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)s1 224114713 QHECLOVSVMMUQQ-CQSZACIVSA-N 365.524 4.453 0 40 FIAB COC[C@@H](C)NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224343344 YGBQCLOIBWJMTE-OAHLLOKOSA-N 359.491 4.061 0 40 FIAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccccc1OC 224581479 PAYFVICJLANODV-UHFFFAOYSA-N 371.477 4.449 0 40 FIAB COc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc2sc(N)nc12 226312394 AQVYOMLACQEWGX-UHFFFAOYSA-N 371.462 4.028 0 40 FIAB COc1cc(C(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226326985 DUFUFWXWBZXPBE-UHFFFAOYSA-N 360.624 4.333 0 40 FIAB O=S(=O)(Nc1ccccc1O)c1cc(Cl)c(Cl)cc1Cl 226855847 PYDQEHASYBYYEB-UHFFFAOYSA-N 352.626 4.153 0 40 FIAB CC[C@]1(C)C[C@@]1(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 256050946 HDQQRGWHJUCZND-FGZHOGPDSA-N 365.429 4.169 0 40 FIAB COc1ccc(-c2noc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)n2)cc1 257317766 VLBBEDWWJSSPQP-OAHLLOKOSA-N 371.387 4.013 0 40 FIAB O=S(=O)(Cc1ccccc1F)N[C@H](c1ccsc1)c1cccs1 390826226 FUVXDPSALIVJHL-MRXNPFEDSA-N 367.492 4.158 0 40 FIAB CC(C)COc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1Br 408604137 SVRZEOKVECFJLB-NTUHNPAUSA-N 370.268 4.150 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccccc2)CC1 409132327 NXVJVWRLLCOTCE-UHFFFAOYSA-N 374.937 4.230 0 40 FIAB C[C@H]1CCc2onc(C(=O)Nc3cccc(OCc4cccnc4)c3)c2C1 516138964 ZQTIYONYRMYAGG-AWEZNQCLSA-N 363.417 4.026 0 40 FIAB C[C@@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)Cc1ccsc1 618256720 LMLUDTHKHLMMCI-IBGZPJMESA-N 357.500 4.200 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 828074 VVXFKWSOCQRRDU-UHFFFAOYSA-N 372.428 4.380 0 40 FIAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C)cc1 949586 VONSHCCWCBGDFQ-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)c1 976942 GAKWZSZMTNXXDW-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB CC(=O)n1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)c2ccccc21 978805 YRPCHZYSFZBMEG-YVLHZVERSA-N 364.788 4.299 0 40 FIAB C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O 1080310 ABSVVNAXUBJWAN-BLLLJJGKSA-N 363.335 4.268 0 40 FIAB CC(C)(C)c1csc(NC(=O)COc2ccc(Br)cc2)n1 2694964 KSGHQFDWFZZXME-UHFFFAOYSA-N 369.284 4.221 0 40 FIAB CCc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1 2722941 WNCXJTUMKKPXIE-UHFFFAOYSA-N 363.442 4.032 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)c1 3224136 ILYMQMLOVRLRKC-HXUWFJFHSA-N 364.470 4.409 0 40 FIAB Cc1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 3407671 XEXYETBWSYPTLN-UHFFFAOYSA-N 365.260 4.321 0 40 FIAB CC(C)(C)c1ccccc1NC(=O)CSc1nncn1-c1ccccc1 3452639 HVDKDEDSLVYMCX-UHFFFAOYSA-N 366.490 4.296 0 40 FIAB Clc1cccc(CSc2ccc3nnc(-c4cccnc4)n3n2)c1 4327844 MSRWAOSCFXXMAT-UHFFFAOYSA-N 353.838 4.132 0 40 FIAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 4487777 UYEOUDPBGZKYKY-UHFFFAOYSA-N 364.401 4.410 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)c(C)c1 4594438 WFBICGLGVXEGDK-UHFFFAOYSA-N 370.518 4.231 0 40 FIAB CCc1cccc(CC)c1NC(=O)C[C@@H](NCCC1=CCCCC1)C(=O)O 4939667 BVOMXLLEJOKFQU-LJQANCHMSA-N 372.509 4.073 0 40 FIAB COc1cccc(C(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 5259286 RENAJLONERLXIN-UHFFFAOYSA-N 374.444 4.005 0 40 FIAB C[C@H]1CCc2nc(NC(=O)NCCc3c[nH]c4ccccc34)sc2C1 6550183 BWZWFFZJBXTCGT-LBPRGKRZSA-N 354.479 4.113 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(C)cc1OC 6790666 HWRRMBJKKGKQIK-UHFFFAOYSA-N 357.450 4.327 0 40 FIAB CC(C)N(C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl)C(C)C 7007622 GBMJDVRQSDZQET-UHFFFAOYSA-N 366.672 4.449 0 40 FIAB Cc1nc(-c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)cs1 7726357 FPNBCUBVOUCQIQ-UHFFFAOYSA-N 366.414 4.198 0 40 FIAB O=C(NC1CCCC1)c1ccccc1NC(=O)c1ccccc1OC(F)F 8342865 XPKUUMLGLQQAGQ-UHFFFAOYSA-N 374.387 4.213 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 8792883 GVRGKMVNCOXRSD-UHFFFAOYSA-N 371.487 4.481 0 40 FIAB Cc1ccc(N2C[C@H](c3nc(-c4ccccc4)no3)CC2=O)cc1Cl 9318517 XPXHUCDWPLBQNT-CQSZACIVSA-N 353.809 4.219 0 40 FIAB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2Cl)n1 9426752 NWENVDYLPGUSKL-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB CCOCCSCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 9883398 URIOOBKDHQFMQU-UHFFFAOYSA-N 364.467 4.060 0 40 FIAB Cc1ccnc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)c1 10056616 CQPGJSQEPWNVFP-LJQANCHMSA-N 358.397 4.097 0 40 FIAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2cccs2)C1 12239236 RUJRZNASFQIIGI-KRWDZBQOSA-N 365.502 4.436 0 40 FIAB Cc1ccc(C[C@@H](S[C@@H](CC(=O)O)c2ccc(F)cc2)C(=O)O)cc1 12274232 CEQDKWGXAVOCGK-DLBZAZTESA-N 362.422 4.079 0 40 FIAB CN(C)c1cccc(N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)c1 12414058 KYVLWHAGKHWCEJ-UHFFFAOYSA-N 368.436 4.237 0 40 FIAB COC(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(F)cc1F 12800247 VSLOCTDZINGKKC-UHFFFAOYSA-N 360.143 4.311 0 40 FIAB Cc1sc(-c2ccco2)nc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 13003532 WBLXEDNGALBORT-UHFFFAOYSA-N 367.434 4.289 0 40 FIAB CCNc1c(NC(=O)c2cc(Cl)ccc2OC)c(=O)oc2ccccc12 13364895 YYQGMPCAOULDIM-UHFFFAOYSA-N 372.808 4.139 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 14397727 QJVXHNAUZTYNIH-AWEZNQCLSA-N 374.868 4.132 0 40 FIAB CCC(=O)c1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 16722215 TZQUPNUFKHOGNY-UHFFFAOYSA-N 373.478 4.196 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCc2ccccc21 20049284 KLKTUZCNSHBFLK-FQEVSTJZSA-N 372.896 4.066 0 40 FIAB Cc1cc(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)cc(C)c1Cl 20144319 PRCBJIAIWPJIRH-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB C/C=C/C=C/C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 21347199 ZEBDTRUYIZSQLG-PJANEHJISA-N 363.457 4.279 0 40 FIAB O=C(CCOc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 24028242 VTABNJCEJVZNCM-UHFFFAOYSA-N 366.442 4.408 0 40 FIAB Cc1ccc(-c2nc(CSc3nnc(NC(C)(C)C)s3)no2)cc1 24928568 GHEXMNKRQFPAIN-UHFFFAOYSA-N 361.496 4.399 0 40 FIAB C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1nc2ccccc2s1 25448408 WLSJWMMQWMEYSP-HNNXBMFYSA-N 357.523 4.123 0 40 FIAB COc1ccc(OC)c(CNC(=O)C2(c3cccc(Cl)c3)CCC2)c1 27504035 NTXYVUPXODYXIR-UHFFFAOYSA-N 359.853 4.095 0 40 FIAB CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)cc1 27793043 PGIDVVULWZZIFD-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)N[C@@H](C)c1ccccc1 28229997 LOISOIQRKPLVKT-STQMWFEESA-N 365.399 4.293 0 40 FIAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c(C)c2cc1C 28290695 ZEXRZWRPIJQSHV-IBGZPJMESA-N 350.462 4.391 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1cccs1 29086591 HDGIEZPNFTUEMN-RDTXWAMCSA-N 358.507 4.316 0 40 FIAB CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc2o1 32097485 GDHWISCCLKKJTL-UHFFFAOYSA-N 366.389 4.204 0 40 FIAB Cc1cccc(Cn2c(=O)nc(-c3cccs3)c3nc(C)sc32)c1 32616349 RZOLIQHFHIRIHZ-UHFFFAOYSA-N 353.472 4.247 0 40 FIAB CCc1cccc(C)c1NC(=O)c1nc2ccccc2nc1N1CCCC1 32642779 QOCDIEAQAPMJFZ-UHFFFAOYSA-N 360.461 4.353 0 40 FIAB CC(C)c1ccc(CN(C(=O)CCNC(=O)c2ccccc2)C2CC2)cc1 32744793 VAQOSXUFFCYDPU-UHFFFAOYSA-N 364.489 4.121 0 40 FIAB CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 32755187 ZMFUONIDMJOUJW-ZDUSSCGKSA-N 358.415 4.074 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCCOc1cccc2cccnc12 38680983 IOYPROJZRBPUEW-ZHACJKMWSA-N 352.821 4.097 0 40 FIAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccncc3)ccc1O2 38708539 GQRDOIOFKUGXFP-UHFFFAOYSA-N 359.385 4.025 0 40 FIAB O=C(NCCCOCc1ccco1)Nc1ccc(-c2nccs2)cc1 40103884 NCCWWNSUTBTDNM-UHFFFAOYSA-N 357.435 4.132 0 40 FIAB C[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccc(Cl)cc1 40119401 SPPIBCMSGTXNQG-AWEZNQCLSA-N 369.852 4.144 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(N3CCCCC3)cc2)cc1 44884101 HIAFYEYOPBAZEQ-UHFFFAOYSA-N 374.488 4.101 0 40 FIAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccnc1N1CCCC1 47225933 ZZCQSGWLILSULN-UHFFFAOYSA-N 370.503 4.428 0 40 FIAB CCCCc1ccc(-n2nnnc2SCc2ccc(Cl)nc2)cc1 58556403 ANZRZRGTBSQDIL-UHFFFAOYSA-N 359.886 4.346 0 40 FIAB Cc1ccn2cc(C(=O)Nc3ncccc3OCC3CCCCC3)nc2c1 65533930 RCOYNWQDBMQPDV-UHFFFAOYSA-N 364.449 4.249 0 40 FIAB Cc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 67293186 QRRSCWNXPRLWCT-GYHWCHFESA-N 371.396 4.327 0 40 FIAB CO[C@H](C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)c1 68430720 VBVBFDSOZMJIDE-FJPSDOCDSA-N 368.433 4.028 0 40 FIAB O=C(Cc1cccc2ccccc12)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70639983 PCMOGLYPIZLCSH-IBGZPJMESA-N 373.374 4.251 0 40 FIAB COc1cc(C(=O)N[C@H]2CCc3ccccc32)nc2c(C)cc(F)cc12 72329544 DKRGSTXBQNUILN-KRWDZBQOSA-N 350.393 4.108 0 40 FIAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN2C(=O)CC(C)C)n1 72383709 ARHWSBFMOFPOGQ-CQSZACIVSA-N 359.499 4.003 0 40 FIAB Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)c(C)c3)sc2c1 72414495 NDWRMCJQZNQDHV-UHFFFAOYSA-N 352.868 4.367 0 40 FIAB CCOc1ccc(NC(=O)C[C@H]2CC(=O)Oc3cccc(Cl)c32)cc1 80345825 BTRKVYIMRKKEFC-LBPRGKRZSA-N 359.809 4.160 0 40 FIAB CS(=O)(=O)c1ccc(-c2csc(Nc3ccc4c(c3)CCC4)n2)cc1 83989691 JQSGVMUAFTZPRS-UHFFFAOYSA-N 370.499 4.446 0 40 FIAB C/C(=C/c1cc(O)ccc1Br)c1nc2sccc2c(=O)[nH]1 93902580 WYEVGHROMAXOGF-VURMDHGXSA-N 363.236 4.013 0 40 FIAB Cc1nc(C2(N[C@@H](C)c3ccc(Br)cc3)CCCC2)no1 95961613 GBXLWHRMRTYXDL-NSHDSACASA-N 350.260 4.261 0 40 FIAB O=C(c1ccc(F)cc1Cl)N1CCC(Oc2ccc(Cl)cn2)CC1 96024929 CDZUMICUSCQKAH-UHFFFAOYSA-N 369.223 4.211 0 40 FIAB O=C(Nc1cccnc1SCc1ccccn1)c1ccc(Cl)nc1 96232763 RODINQVQPAWPCE-UHFFFAOYSA-N 356.838 4.070 0 40 FIAB O=c1ss/c(=N/c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 100357467 QCICGJDACRBGMM-GHRIWEEISA-N 355.271 4.500 0 40 FIAB COc1ccc(C)cc1NCc1nnc(-c2ccccc2Br)o1 102679952 PCNHYBOIVPFCAO-UHFFFAOYSA-N 374.238 4.428 0 40 FIAB OCCCN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCc2ccccc21 114194007 ZFZRTDMJJMHVMR-OAQYLSRUSA-N 366.436 4.353 0 40 FIAB O=C(NCCOc1ccc(-c2ccccc2)cc1)[C@H]1OCCc2ccccc21 141563746 XOGAQUACVWCGRJ-QHCPKHFHSA-N 373.452 4.163 0 40 FIAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCC1=CCCCC1 222756355 BNTTUXPAYQURJG-SFHVURJKSA-N 356.510 4.066 0 40 FIAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 222795164 RABUOTXTNNMQJC-WOJBJXKFSA-N 362.502 4.173 0 40 FIAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(CC)c1C 222960090 LUMWNAAYRKZFKM-RTBURBONSA-N 356.539 4.292 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C 223092215 QANXSSDXYKDYPK-UXHICEINSA-N 368.550 4.342 0 40 FIAB O=C(Cc1ccc(Cl)cc1F)N1CCN(c2cccc(Cl)c2)CC1 223508735 PGPOPFWKVGGGMI-UHFFFAOYSA-N 367.251 4.024 0 40 FIAB O=C(COc1cccc2c1CCCC2)NCCCc1ccccc1Cl 223547254 IJKAUBLNSDLZSM-UHFFFAOYSA-N 357.881 4.347 0 40 FIAB O=C(Cc1cccc(Cl)c1)NCc1cccc(CN2CCCCC2)c1 224699131 DBUIWNXKAWDWTO-UHFFFAOYSA-N 356.897 4.185 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCc2cccc(OCC)c2)c1C 225440021 XWAIJDJDVNXQFK-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)CCc2ccccc2)c1 225513774 ZLLBPJACVLHOKW-OAHLLOKOSA-N 356.491 4.089 0 40 FIAB CCOc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1OCC 225528502 VIQHEMLFPWOSCQ-UHFFFAOYSA-N 366.433 4.249 0 40 FIAB COc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1Cl 225647833 UXKVMKJGVOKAQB-UHFFFAOYSA-N 374.868 4.074 0 40 FIAB Cc1cc(C)c(NC(=O)CCc2nc(-c3cccc(F)c3)no2)c(C)c1 225801411 TZCWTILRFCEEAX-UHFFFAOYSA-N 353.397 4.372 0 40 FIAB Cc1ccc(OCC(=O)Nc2cc(C)c(O)c(Br)c2)c(C)c1 226243103 NVZKIGSPTCSOIL-UHFFFAOYSA-N 364.239 4.097 0 40 FIAB O=C(NCc1cccnc1-c1cccnc1)c1ccc(C(F)(F)F)cc1 238921055 TWTNGRQNYPOPPB-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB CCOc1cc(C(=O)Nc2cc(OC)ccc2OC)cc(Cl)c1OC 408555527 HCZNNARPSVKKLK-UHFFFAOYSA-N 365.813 4.017 0 40 FIAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(CCOC)C2=O)c2ccccc21 409122749 BFIRNJFIVNHJQH-HNEYUBDGSA-N 358.463 4.295 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3C)C(=O)[C@@H]21)c1ccccc1 409367756 FHRYKVXQUUYFIO-UBBRYJJRSA-N 355.437 4.390 0 40 FIAB O=C(CCCc1cccnc1)N1[C@H]2CC[C@H]1CC(Oc1ccccc1)C2 618101420 DMWBINDDDSKBNY-OALUTQOASA-N 350.462 4.005 0 40 FIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc2cc(Cl)ccc2[nH]1 684759371 CNMLKICHDRHLEI-KRWDZBQOSA-N 356.857 4.405 0 40 FIAB CCOc1ccc(C)cc1S(=O)(=O)Oc1cc(C)c(Cl)c(C)c1 1776005024 XXFVBMOISSKLDB-UHFFFAOYSA-N 354.855 4.432 0 40 FIAB CCSCc1nnc2sc(C(C)(C)Oc3ccc(Cl)cc3)nn12 1776111024 NIHTYWWXNSUIDD-UHFFFAOYSA-N 368.915 4.406 0 40 FIAB O=C(OC1CCCC1)N1CCC([C@H]2CCCCN2Cc2ccncc2)CC1 2056225155 FVTAGGFVWOZQNJ-OAQYLSRUSA-N 371.525 4.227 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1Cl 682211 FMVKUOIXKJZJNK-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB COc1ccc(CN(C(=O)c2cccs2)c2ccccc2C(=O)O)cc1 704157 VGEZSEDLOCUZNZ-UHFFFAOYSA-N 367.426 4.302 0 40 FIAB COc1cc(NC(=S)N2CCc3ccccc3C2)c(OC)cc1Cl 986443 CRTCGOLGVQCNLX-UHFFFAOYSA-N 362.882 4.112 0 40 FIAB N=C(N)c1ccc(SCCCCCSc2ccc(C(=N)N)cc2)cc1 1568060 KYWZKGWSTJUGKM-UHFFFAOYSA-N 372.563 4.309 0 40 FIAB Cc1cccc(C)c1C(OC[C@H](O)CNC(C)C)c1c(C)cccc1C 2019968 NCDUZGLNHCZFNZ-HXUWFJFHSA-N 355.522 4.385 0 40 FIAB in-man CCCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC 2071177 POVSZJHQDVIEPF-SFQUDFHCSA-N 351.402 4.137 0 40 FIAB CCc1ccc([C@@H]2C[C@@H](c3c(F)cccc3Cl)n3nc(N)nc3N2)cc1 2472085 ZMZSDUXQWHFEHW-HOTGVXAUSA-N 371.847 4.362 0 40 FIAB Cc1ccc(Cc2cnc(NC(=O)CNc3ccc(C)cc3)s2)cc1 2887791 AFSARSDMQYTAMW-UHFFFAOYSA-N 351.475 4.401 0 40 FIAB COc1ccc(-c2csc(NC(=O)CCOc3ccccc3)n2)cc1 3892391 SJSTYNXZOGKHMT-UHFFFAOYSA-N 354.431 4.226 0 40 FIAB CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)N[C@H](C)c1ccccc1 3895850 UFSPSELVZYPIMF-LNXHZJMOSA-N 358.526 4.221 0 40 FIAB Cc1c(CC(=O)NC(C)C)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 4089440 KBECJCKQJUMDMQ-UHFFFAOYSA-N 367.445 4.102 0 40 FIAB biogenic Cc1ccccc1CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 4308385 KZYKIZHSZKZMRC-SFHVURJKSA-N 363.244 4.269 0 40 FIAB C[C@@H](Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)c1ccccc1 5156728 BLOSZOWUKOEJEQ-GFCCVEGCSA-N 351.431 4.314 0 40 FIAB O=C([C@H](Sc1nc2ccccc2[nH]1)c1ccccc1)N1CCCCC1 5184820 XWMUZXVYESTULH-GOSISDBHSA-N 351.475 4.409 0 40 FIAB Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)OCCO4)n2)cc1C 6478092 JVZDFJLXBPOJIO-UHFFFAOYSA-N 366.442 4.450 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)NCC1(N2CCCCC2)CCCCC1 6559687 HMKGFLGRZQUOED-UHFFFAOYSA-N 374.500 4.094 0 40 FIAB Cc1csc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1 6847085 UZNRPTJYKRYANV-NSHDSACASA-N 363.533 4.373 0 40 FIAB COc1ccc(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 7312890 ZVEQZMKPGQILIX-UHFFFAOYSA-N 367.854 4.097 0 40 FIAB O=C(C1CCN(Cn2c(=S)oc3ccccc32)CC1)N1CCCCCC1 7317127 YJALUCATHGUGTP-UHFFFAOYSA-N 373.522 4.036 0 40 FIAB Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)c1 7468305 ZLSJVRMYUJGFQW-UHFFFAOYSA-N 365.820 4.427 0 40 FIAB CCn1c(C)cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1C 7795244 MMFSCVHXYMVZEW-UHFFFAOYSA-N 359.813 4.185 0 40 FIAB CCN(c1ccc(-c2csc(Cc3ccccc3)n2)cc1)S(C)(=O)=O 8042422 MKVAIRNYTSHPDG-UHFFFAOYSA-N 372.515 4.187 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 8292495 LUNFLRFKKRJRBY-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCc1ccc(CN2CCCC2)cc1 8429929 URSPKCLTYPMALS-VAWYXSNFSA-N 354.881 4.265 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NCc2ccccc2Cl)CC1 9062932 JVSDRWRIBUGWGL-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB CCCCn1nc(NC(=O)c2cccnc2)c2cc3ccc(C)cc3nc21 9328549 CGVKVNGSXOENSV-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1nnc(CCCc2ccccc2)s1 9355808 LBRUTKGZFRQTIE-HNNXBMFYSA-N 367.474 4.119 0 40 FIAB O=C(Nc1nnc(Cc2cccs2)o1)c1cc(Cl)sc1Cl 11694647 VHROOMGVHLVNEH-UHFFFAOYSA-N 360.247 4.343 0 40 FIAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(CCC2=CCCCC2)c1C 12372608 ZADGZSOMEVTOHF-UHFFFAOYSA-N 358.507 4.410 0 40 FIAB COc1cc(SC)ccc1C(=O)NCCCn1ccc2ccccc21 12517295 ORXGGVPERUEBBB-UHFFFAOYSA-N 354.475 4.192 0 40 FIAB CC(C)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 12560152 FIOOWSBKHXONFQ-MRXNPFEDSA-N 369.490 4.035 0 40 FIAB Cc1cccc(Oc2ccccc2NC(=O)CCN2CCSC2=O)c1 12742241 RHYVSEXRUCCMOP-UHFFFAOYSA-N 356.447 4.285 0 40 FIAB CCCN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 13011066 AUJJQOYSWFTQNQ-UHFFFAOYSA-N 360.816 4.421 0 40 FIAB CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCC2CCCCC2)cc1 13041862 GCLANIJKISKFJO-UHFFFAOYSA-N 366.527 4.062 0 40 FIAB CCN(C(=O)CSc1nc(/C=C/c2cccs2)n[nH]1)C1=CCCC1 14334813 NNKKMUUYSVYDJA-MDZDMXLPSA-N 360.508 4.045 0 40 FIAB COc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c(OC)c1 14903334 ORYUAKOZBULJEH-UHFFFAOYSA-N 361.397 4.187 0 40 FIAB Cc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 15880208 VZKCCQKHKYJSFT-UHFFFAOYSA-N 363.486 4.262 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc2ccccc2o1 20139666 NUDSNDVBNKVAEZ-UHFFFAOYSA-N 363.369 4.446 0 40 FIAB Cc1ccc(CN2COc3c(Cl)cc4c(C)cc(=O)oc4c3C2)cc1 20403858 NOUKWRPUQFNKGH-UHFFFAOYSA-N 355.821 4.415 0 40 FIAB Clc1ccc(-c2noc(-c3cccnc3NC[C@H]3CCCO3)n2)cc1 21787759 OVJQUMSGFAZFME-CQSZACIVSA-N 356.813 4.043 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccccc1-c1nc(-c2cccnc2)no1 22461625 PFVORBAJIUBYIV-OUKQBFOZSA-N 368.396 4.451 0 40 FIAB C[C@H]1CCC[C@H](NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)[C@@H]1C 23055037 QMUCHQGAHUOBNQ-AHIWAGSCSA-N 357.325 4.366 0 40 FIAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)n1C1CCCCC1 24714558 QZLPQCIHURWIKJ-UHFFFAOYSA-N 367.449 4.193 0 40 FIAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1[C@@H](C)c1ccccc1 24759497 NQRUWULFGDNYJC-AWEZNQCLSA-N 374.444 4.136 0 40 FIAB CN1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)[C@H](c2ccccc2)C1 24834158 BFGWWNQDDVDDTE-QFIPXVFZSA-N 374.484 4.395 0 40 FIAB O=C(COc1ccccc1C(F)(F)F)Nc1cccc(-c2ccn[nH]2)c1 24893471 WBIPLNDUKGHHDY-UHFFFAOYSA-N 361.323 4.113 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)CSc2ccc(C)cc2)cc1OC 25613668 CXZUQUBLGJZCPV-GOSISDBHSA-N 371.502 4.468 0 40 FIAB CCCn1ccnc1SCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 26041990 KSHJKHKFHMOGBE-UHFFFAOYSA-N 359.495 4.253 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCc2ccccc21 27445666 UXLJUAQICVIHKB-UHFFFAOYSA-N 357.837 4.023 0 40 FIAB CC(C)c1ccc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)cc1 31249345 CQRWIESNHMSLKR-HUUCEWRRSA-N 372.896 4.459 0 40 FIAB Cc1ccc(-n2nnnc2SCc2csc(-c3ccc(C)o3)n2)cc1 32323914 IXWPAPBTMARVKT-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB Cn1c(SCc2noc(C(C)(C)C)n2)nnc1-c1ccccc1Cl 32778923 WQYXULZOBVSIIK-UHFFFAOYSA-N 363.874 4.108 0 40 FIAB Cn1ncc2c(N[C@H](c3ccc4c(c3)CCC4)c3cccs3)ncnc21 32888252 AFUIZIIPGRXCHT-GOSISDBHSA-N 361.474 4.115 0 40 FIAB O=C(Cc1ccc2c(c1)OCCO2)N(Cc1ccccc1)c1ccccc1 32960989 FFGHZAKXJWMZFR-UHFFFAOYSA-N 359.425 4.234 0 40 FIAB CCOc1cc(-c2nc3ccc(C)cn3c2NC[C@@H]2CCCO2)ccc1O 35310777 GCJQBQONPSUVKC-INIZCTEOSA-N 367.449 4.005 0 40 FIAB Cc1ccc(OC(=O)CCC(=O)Nc2nc3c(C)cccc3s2)cc1 35655149 UXDWMQFNCRTOJU-UHFFFAOYSA-N 354.431 4.237 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)Nc1cc(C(C)(C)C)no1 36392394 MJMBTZPEEFKYHM-ZDUSSCGKSA-N 355.438 4.350 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)c1 40150742 UDBZOJWXSNVLAS-KRWDZBQOSA-N 351.450 4.186 0 40 FIAB c1cc(-c2nc(CN(C[C@H]3CCCO3)C[C@H]3CCCO3)cs2)cs1 40153572 NRLIYHQVEKUJJE-IAGOWNOFSA-N 364.536 4.032 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(C)[C@@H](C)c1ccccc1 44142015 BZXMPYONMRWHIQ-KRWDZBQOSA-N 365.477 4.456 0 40 FIAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1)NC1CC1 55448629 RCIAORSHCGOGKI-HUUCEWRRSA-N 369.387 4.278 0 40 FIAB C[C@H](c1ccccn1)N(C(=O)COc1cccc(C(F)(F)F)c1)C1CC1 57509637 DFWARXOKGDZBSL-CYBMUJFWSA-N 364.367 4.231 0 40 FIAB O=C(NC1CCCCC1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 58159612 SZMDBZAPIRQJPH-UHFFFAOYSA-N 359.297 4.220 0 40 FIAB CC(C)[C@@H](NC(=O)NCc1ccccc1F)c1nc(-c2ccccc2)no1 58244373 SINSECUBMDHZPB-QGZVFWFLSA-N 368.412 4.072 0 40 FIAB CCOc1ccc(-c2noc(CN(CC)Cc3ccccc3C)n2)cc1 58773527 FUGAFGGNXBOCFX-UHFFFAOYSA-N 351.450 4.466 0 40 FIAB O=C(c1cc(-c2ccccc2)on1)N(Cc1ccccn1)Cc1ccco1 62018054 SXAKDTOCEISZKK-UHFFFAOYSA-N 359.385 4.172 0 40 FIAB O=C(Nc1ccncc1)c1oc2ccccc2c1CSc1ncccn1 63501843 YFOPXKFOCYMYSA-UHFFFAOYSA-N 362.414 4.162 0 40 FIAB Cc1nc(S[C@H]2CCCCNC2=O)c2cc(-c3ccccc3)sc2n1 69455241 YRHLXAFNTVYZIF-HNNXBMFYSA-N 369.515 4.428 0 40 FIAB Cc1ccccc1CN1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 69779127 XWYSQRFIJZNOFD-QFIPXVFZSA-N 354.538 4.388 0 40 FIAB OCc1ccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 72348845 ZZTYRKAJQCDFPA-NRFANRHFSA-N 359.473 4.016 0 40 FIAB CC(C)c1nccn1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1 72389451 HOGLPKILRFNUSO-SFHVURJKSA-N 365.481 4.027 0 40 FIAB C[C@H](c1ccccc1F)N(C(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 75094253 GWLKWGUCHCQWBE-RHSMWYFYSA-N 354.425 4.064 0 40 FIAB O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1c1ccc(O)cc1 84541464 WNCZMOJVYYGZQP-LJQANCHMSA-N 364.470 4.417 0 40 FIAB CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1coc2ccccc12 92503427 GWKHNXWQULNGSE-UHFFFAOYSA-N 363.461 4.207 0 40 FIAB CC[C@H](C)n1nc(NC(=O)c2ccc(Br)c(F)c2)cc1C 95463235 HZFPGBQJLGYJKD-VIFPVBQESA-N 354.223 4.316 0 40 FIAB CC(C)c1ccc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2)cc1 96216938 GALIAHDVFOYOPC-QFIPXVFZSA-N 350.510 4.093 0 40 FIAB C[C@@H]1C[C@@H]1C(=O)N1Cc2ccccc2C2(CCN(CC3CCCC3)CC2)C1 96242451 BKFQWENQZBTOIE-NQIIRXRSSA-N 366.549 4.209 0 40 FIAB CC(C)Oc1ccc(C(=O)[C@@H](C(=O)c2ccccc2)c2nccn2C)cc1 102369824 HVRBGJUZIZSHBV-LJQANCHMSA-N 362.429 4.057 0 40 FIAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2F)C[C@@H](c2ccco2)C1 102749059 FNBVKHWGJSTEKG-QGHHPUGFSA-N 366.352 4.431 0 40 FIAB CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl 128262639 TVXWCZSYYFCLQC-HNNXBMFYSA-N 357.759 4.476 0 40 FIAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)c1 136530314 QRLGEDWZXZZQFB-PMACEKPBSA-N 374.440 4.011 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c1 216390022 BOTNHJXNDVLSAN-SFHVURJKSA-N 359.397 4.107 0 40 FIAB CCOC(=O)c1ccc(NC(=O)CSCc2ccccc2)c(Cl)c1 216415987 KSUKHKTZMFEQQS-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 223330883 GFDAJKZTJBSVNQ-HZPDHXFCSA-N 355.488 4.217 0 40 FIAB COc1cccc2cc(C(=O)NCCOc3ccccc3C(C)C)oc12 223773717 JQUYATMCDHLHGI-UHFFFAOYSA-N 353.418 4.374 0 40 FIAB CCCc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 224125410 CILRRPYPNXNQBK-UHFFFAOYSA-N 366.505 4.438 0 40 FIAB COc1ccc(C(=O)N2CCCCCC2)cc1COCc1ccccc1 224354572 NSNUFZXNKXRLMM-UHFFFAOYSA-N 353.462 4.428 0 40 FIAB Cc1ccccc1CN1CCC(C(=O)NC[C@H](C)c2ccccc2)CC1 224526839 NSVSTAKGKFBFMN-IBGZPJMESA-N 350.506 4.127 0 40 FIAB O=C(CCCOc1ccccc1)NCc1cccc(CN2CCCCC2)c1 224670982 RRPQHRBXBFAKPT-UHFFFAOYSA-N 366.505 4.148 0 40 FIAB C[C@@H]1CCCN(CCCNC(=O)CCc2ccc(Cl)c(Cl)c2)C1 225338108 BLIOYJIYGRAGJC-CQSZACIVSA-N 357.325 4.164 0 40 FIAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225650647 KJERBRHEYPSQRO-OAQYLSRUSA-N 362.514 4.085 0 40 FIAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1 225864790 QUJKHMKUQCOTKD-KRWDZBQOSA-N 369.530 4.382 0 40 FIAB CCOc1ccc(CN2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 408558405 ULDVYIICYJULDC-UHFFFAOYSA-N 357.409 4.133 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 408619223 ACXNMTSWHYZYMJ-UHFFFAOYSA-N 368.216 4.431 0 40 FIAB CC(C)N1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 409023199 YBKSCEANXDYRSZ-WLRTZDKTSA-N 365.252 4.375 0 40 FIAB Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2Cl)n1 409384419 BDJAJVBIGCJRAP-UHFFFAOYSA-N 361.776 4.188 0 40 FIAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1)c1csc2ccccc12 540669166 ZQHDXZNSWJFHFT-OAHLLOKOSA-N 363.797 4.250 0 40 FIAB O=C(NCC[C@@H](CCO)c1cccs1)C1(c2cccs2)CCCC1 575608198 QRZUHMXMEXZZSD-HNNXBMFYSA-N 363.548 4.294 0 40 FIAB CC(C)c1cccc(-c2ccc(C(=O)N3CCO[C@]4(CCCOC4)C3)o2)c1 585082220 GLBKGSGCEPDIJW-JOCHJYFZSA-N 369.461 4.092 0 40 FIAB CC(C)Cn1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)c(C(F)F)n1 585101401 HRUQMRSSGYHGGO-SWLSCSKDSA-N 362.424 4.327 0 40 FIAB CCOc1ccc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1OC 1083103791 ZWTDEJIWHUMAIS-UHFFFAOYSA-N 362.385 4.489 0 40 FIAB CC(C)c1nc2ccccc2n1C1CN(c2nccc(C(F)(F)F)n2)C1 1888882089 GSINDJOPZKKNQE-UHFFFAOYSA-N 361.371 4.030 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(C)cc2)NC(=S)N1 641301 UBWZUCXHWNTKSY-LJQANCHMSA-N 365.502 4.043 0 40 FIAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 670418 YKAPMZLTSWHGLA-JTQLQIEISA-N 368.216 4.186 0 40 FIAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(F)cc1 784653 DUXBYQKZWCOEJN-UHFFFAOYSA-N 353.378 4.332 0 40 FIAB O=C(O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1 821052 BICCDARBUKIKMR-UHFFFAOYSA-N 357.413 4.395 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 876251 NVDLYCIGIJEVGO-UHFFFAOYSA-N 372.881 4.175 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)NC2c3ccccc3Oc3ccccc32)c1 1865408 TUSKYHICJHPPQO-UHFFFAOYSA-N 365.454 4.477 0 40 FIAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCCC1 1942404 WYIYOPIDRBEJFS-UHFFFAOYSA-N 373.478 4.212 0 40 FIAB Cc1cccc(NC(=S)NC(=O)c2ccccc2Br)c1C 2134982 XRKLRVGJENYEMQ-UHFFFAOYSA-N 363.280 4.193 0 40 FIAB COc1ccc(CN(CC[C@H](c2ccco2)C(C)C)C(C)=O)cc1OC 2212084 CYYIUYNNUCBPQI-SFHVURJKSA-N 359.466 4.475 0 40 FIAB biogenic CCOc1ccc(N2C(=O)S/C(=C\c3nc4ccccc4[nH]3)C2=O)cc1 2212359 ZODJHOXWTAJRJT-WJDWOHSUSA-N 365.414 4.203 0 40 FIAB CC(C)c1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1CCC2 2426748 XGZAMTWOCCEWAX-LBPRGKRZSA-N 368.506 4.443 0 40 FIAB Cc1cc(C(=O)COC(=O)/C=C/c2ccco2)c(C)n1Cc1cccs1 2657557 MBCVDLOGOBZGRR-BQYQJAHWSA-N 369.442 4.247 0 40 FIAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)C1CCCCC1 3200434 GWLUXDNFXSIVLZ-UHFFFAOYSA-N 354.431 4.435 0 40 FIAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)cc1 3226717 ZVNSJFQAGZCZAL-JXFKEZNVSA-N 366.461 4.371 0 40 FIAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(F)cc1F 3231760 NXMDRNZJYXGHAG-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1C 3389358 UNMGBRLZGGTBHA-UHFFFAOYSA-N 366.490 4.075 0 40 FIAB CC(=O)N[C@@H](CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 3615325 XKRMGQOKLOBPFR-QFIPXVFZSA-N 372.468 4.160 0 40 FIAB COc1ccc(C)cc1NC(=O)c1nnn(-c2cccc(Cl)c2C)c1C 4313304 STQQFDCGYCUVIQ-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB O=C1CC2(CCN(C(=O)c3ccc4ccccc4c3)CC2)Oc2ccccc21 4505585 YJXMJRVIYACDSS-UHFFFAOYSA-N 371.436 4.480 0 40 FIAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)N[C@@H]1CCCc2ccccc21 4828513 YXEXDOUGOCZCFA-IUODEOHRSA-N 369.446 4.004 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)c1 4926691 LLDQVSCTKOILNE-UHFFFAOYSA-N 353.447 4.393 0 40 FIAB CC(=O)CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 5047393 RIWWGQKSGAOZCQ-UHFFFAOYSA-N 360.435 4.369 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(Cl)c(N)c1 5785937 VNQLIMPBSFXHNV-SUYBPPKGSA-N 367.873 4.083 0 40 FIAB COc1ccc(Nc2nc(CSc3nnc(C4CC4)n3C)cs2)cc1 6129713 ZQNQFFJPGUWMOM-UHFFFAOYSA-N 373.507 4.194 0 40 FIAB O=c1cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2o1 6222594 FIRKPDSIWCEKFV-RMKNXTFCSA-N 360.457 4.383 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 6263178 ZEXVABVELOIZSE-DHZHZOJOSA-N 354.475 4.111 0 40 FIAB Cc1ccc(C)c(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c1 6839482 FWROVALQPDEIDE-UHFFFAOYSA-N 369.424 4.255 0 40 FIAB O=C(COCc1cc(-c2ccco2)on1)Nc1cc(Cl)ccc1Cl 6876681 RESPCPNFTJKLHQ-UHFFFAOYSA-N 367.188 4.397 0 40 FIAB O=C(COc1ccc2ccccc2c1)Nc1ccnn1Cc1cccs1 7793909 RQRUKQJBFWZWMI-UHFFFAOYSA-N 363.442 4.164 0 40 FIAB COc1ccccc1CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 7956379 UNWCUZNOEGLQPQ-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB CCc1cc2c(SCCCn3c(=O)[nH]c4ccccc43)ncnc2s1 7979510 MKMJFJMGYSXAHH-UHFFFAOYSA-N 370.503 4.079 0 40 FIAB CC[C@@H](NC(=O)c1oc2ccccc2c1COC)c1ccc(OC)cc1 7990370 DQDUTEFGCJDNBN-GOSISDBHSA-N 353.418 4.469 0 40 FIAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1 8060183 MKSNWPHFDYOPOP-UHFFFAOYSA-N 370.405 4.057 0 40 FIAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c1 8179209 WCLKYFUXXFGEJQ-UYRXBGFRSA-N 363.413 4.254 0 40 FIAB O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2ccccc2c1 11475028 YMFYJFGXEWHBKJ-UHFFFAOYSA-N 360.442 4.151 0 40 FIAB CCc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)n[nH]2)cs1 11703455 DLWXXRZKZPLLOR-UHFFFAOYSA-N 373.507 4.109 0 40 FIAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(Br)cc2)ns1 11914068 SAAUAJCMZFCAPX-UHFFFAOYSA-N 374.263 4.149 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 12137530 VZLTZWXKFJKJJG-LJQANCHMSA-N 368.477 4.319 0 40 FIAB Cc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1C 12414741 NTCJZGOVIPWVDK-UHFFFAOYSA-N 360.461 4.102 0 40 FIAB O=C(COc1ccc2ccccc2c1)N[C@@H](Cc1ncc[nH]1)c1ccccc1 12540258 XODZPDXASPRAOV-NRFANRHFSA-N 371.440 4.042 0 40 FIAB CSCc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12776518 VKJCBHCVTOCQNG-GOSISDBHSA-N 369.486 4.298 0 40 FIAB CCOc1ccccc1OCC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 12790125 QDMHTRRCLFTTPP-CYBMUJFWSA-N 367.367 4.360 0 40 FIAB COC(=O)C[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 12878636 XDFWMZHOPBXRSP-OAHLLOKOSA-N 357.793 4.120 0 40 FIAB C[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1ccc(Br)cc1 12912854 MFCMKHUZMXHTQT-GFCCVEGCSA-N 365.246 4.220 0 40 FIAB Cc1cccc(NC(=O)CN(C)Cc2ccc(OC(F)(F)F)cc2)c1C 12938077 AICNTTOJRISCRO-UHFFFAOYSA-N 366.383 4.273 0 40 FIAB O=C(NCc1cccc(Cl)c1)c1cccc(OCc2cscn2)c1 12981588 RHYTUVSYPKRSNK-UHFFFAOYSA-N 358.850 4.306 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3F)o2)cs1 12989374 JQEFWFAMVTYINF-UHFFFAOYSA-N 350.802 4.434 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(F)c(NC(=O)C3CC3)c2)cc1F 13019785 OFCWWIKAUGSGHK-LBPRGKRZSA-N 373.403 4.061 0 40 FIAB COc1ccc(OC)c(NC(=S)Nc2ccc(OC)c(Cl)c2)c1 13935142 BSKBOQKDCKRRBP-UHFFFAOYSA-N 352.843 4.175 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccco1 14003339 NBOUQFCJWYVYJB-FMIVXFBMSA-N 364.376 4.001 0 40 FIAB Fc1ccc(/C=C/c2nn(CN3CCc4ccccc4C3)c(=S)[nH]2)cc1 14182527 QRZLSNQAUDXAEQ-JXMROGBWSA-N 366.465 4.266 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1Cl 15882956 NAUVCKGVNRATOE-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1cccc(Br)c1 16050194 GRPQGWAFPDPNQU-UHFFFAOYSA-N 368.296 4.048 0 40 FIAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccncc1 16515973 OOYRXSAAGCBJBL-UHFFFAOYSA-N 372.403 4.003 0 40 FIAB Cc1nc2ccccc2n1C[C@H](O)COc1ccc(-c2ccccc2)cc1 16780511 JHNQUCYFQCDYMY-FQEVSTJZSA-N 358.441 4.452 0 40 FIAB Cc1nccn1Cc1cccc(C(=O)N2CCC[C@H](Cc3ccccc3)C2)c1 19288207 LKIDJKBJZCSGKL-OAQYLSRUSA-N 373.500 4.335 0 40 FIAB COc1ccc(CN2C[C@@H](c3cc[nH]n3)[C@H](c3ccc(F)cc3)C2)c(F)c1 19551789 IARBSNCKUVAIDM-RBUKOAKNSA-N 369.415 4.080 0 40 FIAB CCOc1ccc2nc(N3C(=O)CS[C@@H]3c3ccccc3)sc2c1 19927490 NRDXRZBYWYTKMJ-QGZVFWFLSA-N 356.472 4.474 0 40 FIAB COc1ccc2c(c1)[nH]c1c(=O)n(-c3ccccc3Cl)c(SC)nc12 19957427 WQEPUSWNULQQGJ-UHFFFAOYSA-N 371.849 4.251 0 40 FIAB O=C(CSc1ccccc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20151158 HQWJFIGLXJMAQK-UHFFFAOYSA-N 356.230 4.422 0 40 FIAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cc1 22523368 ASDUFIFXVRYIHR-MDWZMJQESA-N 359.473 4.499 0 40 FIAB COc1cc(Cl)c(C)cc1NCc1nc(-c2ccccc2OC)no1 22728504 HEGYAVZMXPTVRS-UHFFFAOYSA-N 359.813 4.328 0 40 FIAB O=C(Nc1nccs1)c1ccc(SCc2cn3ccccc3n2)cc1 24353202 ZSPQVRBPJRTLNX-UHFFFAOYSA-N 366.471 4.335 0 40 FIAB COc1ccccc1[C@@H](CNC(=O)c1oc2cc(C)ccc2c1C)N(C)C 28290749 FZJIKHHBLYRBRV-GOSISDBHSA-N 366.461 4.091 0 40 FIAB C[C@H]1CCCC[C@@H]1NC(=O)CSCc1csc(-c2ccco2)n1 31420616 QCGLDCZQGRJDIG-JSGCOSHPSA-N 350.509 4.331 0 40 FIAB CCc1cccc(CC)c1Nc1nnc(SCc2noc(C)n2)s1 31625842 CJNHIUWHTPCYLJ-UHFFFAOYSA-N 361.496 4.390 0 40 FIAB O=C(COc1cccc(F)c1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32671937 XIYHORHZKNRBPB-MRXNPFEDSA-N 370.405 4.237 0 40 FIAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(c2ccccc2F)CC1 32853804 FXCPLKITCBZMJS-CQSZACIVSA-N 374.410 4.454 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 40110768 RQXMBPUTNXYJPW-UHFFFAOYSA-N 373.428 4.131 0 40 FIAB CN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(OC(F)(F)F)cc1 40120717 BDPVBRNQZQFLKP-UHFFFAOYSA-N 359.294 4.065 0 40 FIAB C[C@H](OCCCNC(=O)Nc1ccccc1-n1cccn1)c1ccccc1 40121018 VNFRXRUBIJGSFH-KRWDZBQOSA-N 364.449 4.162 0 40 FIAB CN(C)/C=C/c1ccc2c3c1C(=O)C(=O)N3C(C)(C)C[C@]2(C)c1ccccc1 40385382 JYLBQIZHBASZBQ-XIQMRYHBSA-N 374.484 4.237 0 40 FIAB C[C@H]1CN(C(=O)Nc2ccccc2-c2nc3ccccc3s2)CCO1 43552947 SFWGRTSYVRKHIF-ZDUSSCGKSA-N 353.447 4.216 0 40 FIAB COc1ccccc1-c1nnc([C@H]2CCN(Cc3c[nH]c4ccccc34)C2)o1 49170019 PQWVLVISPJKLDC-HNNXBMFYSA-N 374.444 4.216 0 40 FIAB biogenic,in-vitro Cc1ccc(-c2csc3ncnc(N4CCC[C@@H](CO)C4)c23)cc1C 51152861 CKHWFODLGRGDNP-OAHLLOKOSA-N 353.491 4.184 0 40 FIAB Cc1nc2ccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)cc2nc1C 57817834 PVWFXOUJINASDD-UHFFFAOYSA-N 371.387 4.120 0 40 FIAB COC(=O)Nc1ccc(OC(=O)c2c3c(nc4ccccc24)CCC3)cc1 58400679 CZMLDZJCXBXBQU-UHFFFAOYSA-N 362.385 4.121 0 40 FIAB C[C@@H](c1ccc(F)cc1)N1Cc2cc(Br)ccc2OCC1=O 65184445 UOTKKPHBVCGBKW-NSHDSACASA-N 364.214 4.070 0 40 FIAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccc(Cl)nc1 79490426 DZFJLAFSUUUKLO-UHFFFAOYSA-N 366.764 4.124 0 40 FIAB Cc1nc2ccc(N(C)C(=O)[C@@H]3CCN(C4CCCCC4)C3)cc2s1 83005423 XUJJCJOISBSSRK-OAHLLOKOSA-N 357.523 4.222 0 40 FIAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)COCC(F)(F)F 84810941 JCOYFPRXPMXQKU-GFCCVEGCSA-N 359.388 4.283 0 40 FIAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CCC(=O)c1ccc(F)cc1 95348826 NVCWJUNRUOGJJE-IBGZPJMESA-N 356.441 4.271 0 40 FIAB O=C(Nc1ccnn1Cc1ccsc1)NC1(c2cccc(Cl)c2)CC1 95466899 UTDOYEJUBCLEEZ-UHFFFAOYSA-N 372.881 4.457 0 40 FIAB O=C(/C=C/c1cccs1)NCc1nn(C2CCCC2)c2c1CCCC2 96099216 TWLRKMJCIZPDON-VAWYXSNFSA-N 355.507 4.268 0 40 FIAB CO[C@](C)(CNC(=O)/C=C/c1ccc(SC)cc1)c1ccccc1F 96123553 GZJVWAGIALRBMB-XEDBTPMOSA-N 359.466 4.239 0 40 FIAB Cc1ccccc1NC(=S)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 100423682 FRBYBRWFILVMSI-IAGOWNOFSA-N 355.507 4.070 0 40 FIAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NC[C@@H]5CCCO5)(C4)C2)C3)cc1 102133553 PADKCAJOFMJRSF-MERSPSMRSA-N 353.506 4.128 0 40 FIAB CCOc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ncccn23)cc1 104147105 OFZLZXZBYGCDHW-UHFFFAOYSA-N 358.401 4.047 0 40 FIAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(Cc2c(C)noc2C)c2ccccc21 106171095 BCWSQZSQWOSTTH-IYOUNJFTSA-N 355.482 4.089 0 40 FIAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)Cc1cccc2cccnc12 109843581 QUEVOQZZRUBLSD-QGZVFWFLSA-N 372.515 4.136 0 40 FIAB COc1ccc(Cl)cc1NC(=O)NCC[C@H](CCO)c1ccccc1 206631196 REPDYKDVPIOYAH-OAHLLOKOSA-N 362.857 4.026 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@H](C)SCc2ccccc2)s1 222781056 JOHUECXHNVKWDC-NSHDSACASA-N 353.538 4.299 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(F)cc2)cc(C)c1Cl 224139753 NXNYEYVSMPWSLU-CQSZACIVSA-N 365.832 4.058 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1Cl 224283949 XOYBLYVJJCPOLG-OAHLLOKOSA-N 369.848 4.456 0 40 FIAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225470358 BRAIIWLUFSGTBQ-MRXNPFEDSA-N 367.518 4.478 0 40 FIAB COc1ccc(CCCNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225556614 KRSUBZDGLAKTMA-UHFFFAOYSA-N 352.862 4.407 0 40 FIAB O=C(CSCc1ccccc1)NCc1cccnc1-c1cccs1 225759682 YVHDLRMYFLQARD-UHFFFAOYSA-N 354.500 4.360 0 40 FIAB Cc1cccc2cc(C(=O)Nc3cccc(Br)c3)c(=O)oc12 226034615 AYZGLPANCHEHCJ-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB CC(C)(C)OC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2 257240034 HRTQMIOSEIOQRQ-XTCYKFNRSA-N 356.510 4.138 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)cc1 409101325 SPOWXNUZPSUMPQ-UHFFFAOYSA-N 372.881 4.268 0 40 FIAB Brc1cc(-c2nc3ccccc3s2)oc1N1CCOCC1 409190885 AMCICNFHLKUWCP-UHFFFAOYSA-N 365.252 4.155 0 40 FIAB Cc1noc(C)c1CN1C(=O)CC[C@]12CCCN(CC1CCCCC1)CC2 585099857 KKUNYQAQYCKSKH-QFIPXVFZSA-N 373.541 4.219 0 40 FIAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccccc4)C[C@H]23)o1 585109701 JBFNXRYIVFRKCF-QNWVGRARSA-N 372.468 4.288 0 40 FIAB Clc1ccc(-c2cc(CSc3n[nH]c(-c4ccccn4)n3)on2)cc1 604932685 BCNULTKJQDUPKD-UHFFFAOYSA-N 369.837 4.467 0 40 FIAB Cc1ccc2c(CN3C[C@H](O)Cc4ccc5ccccc5c43)cc(=O)oc2c1 1775996324 GKLSZRULNRYIAQ-LJQANCHMSA-N 371.436 4.178 0 40 FIAB FC(F)(F)c1ccc(-c2nnc3sc(Cc4ccccc4)nn23)cc1 632742 KPHJXFVPTNCAMO-UHFFFAOYSA-N 360.364 4.462 0 40 FIAB Clc1ccc(-c2nnc(-c3ccccc3)c(N3CCSCC3)n2)cc1 721182 QNFAGAPWMNDJKM-UHFFFAOYSA-N 368.893 4.412 0 40 FIAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 842019 GXYZPRKXMHEHHK-LQDNNDEMSA-N 365.432 4.257 0 40 FIAB biogenic O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)C[C@@]1(O)C1CCCCC1 857383 OLDPCUPPSHWTCH-MRXNPFEDSA-N 374.790 4.373 0 40 FIAB Cc1ccc(-n2c(SCC(=O)O)nnc2-c2ccc(Cl)cc2)cc1 878094 VOIIMEJDDAGLFP-UHFFFAOYSA-N 359.838 4.073 0 40 FIAB C[C@H]1CCCCN1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329291 MNOVGYVKZPQQDX-AWEZNQCLSA-N 366.490 4.118 0 40 FIAB CCc1cccc(CC)c1NC(=O)CSc1nnc(C(C)C)n1CC 1364177 HDKCHBKLSJBNRA-UHFFFAOYSA-N 360.527 4.277 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C(N)=O)C1 1927528 RRUOJKDVQCHQCT-GFCCVEGCSA-N 364.470 4.377 0 40 FIAB CC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 2659283 XUBDHRAGMPDSLV-LBPRGKRZSA-N 351.324 4.314 0 40 FIAB O=C(NCc1ccccn1)c1ccc(-c2nc3ccccc3s2)s1 3325084 UVYCTANGALBSEN-UHFFFAOYSA-N 351.456 4.350 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(-c2nnco2)cc1 3432703 AHRBFYJSNNHOMX-UHFFFAOYSA-N 358.781 4.153 0 40 FIAB Cc1ccc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1C 3654643 CXQSYIVRHMRZAY-UHFFFAOYSA-N 368.502 4.142 0 40 FIAB NC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCCC2 4018954 ADHGRLFXIIIABB-UHFFFAOYSA-N 372.534 4.271 0 40 FIAB Cc1cccc(CC(=O)N2CCN=C2SCc2cc(C)ccc2C)c1 4120337 WSBCQWAOVOINAZ-UHFFFAOYSA-N 352.503 4.286 0 40 FIAB CCCCc1nc2cc(N)c(C)nc2n1Cc1ccc(Br)cc1 4234464 OHPVNVQDURUJRQ-UHFFFAOYSA-N 373.298 4.475 0 40 FIAB Nn1cc(-c2ccccc2)nc1SCCCC(=O)c1ccc(F)cc1 4251988 TVJHSFCWBDSXDY-UHFFFAOYSA-N 355.438 4.158 0 40 FIAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccco3)nc2c1 4273274 UEVUTUAPKRUQNG-UHFFFAOYSA-N 365.414 4.140 0 40 FIAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc2c(c1)CCCC2 4348557 YXWMLBHOMRZWNE-UHFFFAOYSA-N 366.442 4.199 0 40 FIAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 4496486 QOEJPVUSYBLJCK-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB O=C(O)C[C@@H](NC(=O)Nc1ccccc1)c1ccc(OC2CCCC2)cc1 4623671 YWWULYYWWBKCME-LJQANCHMSA-N 368.433 4.346 0 40 FIAB Cc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cccs1 4822865 ALVMMPBJWBTTEH-UHFFFAOYSA-N 366.442 4.326 0 40 FIAB C[C@H]1CCCCN1C(=O)COC(=O)c1cc2c(s1)-c1ccccc1CC2 5303219 HMSQHXUPIAYQMB-AWEZNQCLSA-N 369.486 4.072 0 40 FIAB CC(C)[C@@H]1Cc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)CO1 5408901 NWLHVPXIERMFNA-ZDUSSCGKSA-N 358.488 4.207 0 40 FIAB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 5980527 GYCNMQGTEQMTNJ-IBGZPJMESA-N 367.424 4.216 0 40 FIAB Cc1ccc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cn2c1 6105695 DXTHXXLTWUKNSX-UHFFFAOYSA-N 361.474 4.393 0 40 FIAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1F 6219417 JFYRLITWDFAFOO-UHFFFAOYSA-N 363.414 4.361 0 40 FIAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1 6549643 FJICDXNZMZPHRR-AWEZNQCLSA-N 364.474 4.264 0 40 FIAB CCc1nnc(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)s1 6605232 MBQQSPXYSRPHDH-UHFFFAOYSA-N 358.492 4.022 0 40 FIAB COc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(C)cc2)cc1 6747558 MZHPYMUSLLASGP-UHFFFAOYSA-N 365.429 4.204 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3cccc(OC)c3)c2[C@@H]1c1cccs1 6747885 QSOQYEKTPDMPFQ-SFHVURJKSA-N 353.447 4.102 0 40 FIAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccccc1Cl 6887301 AJUHWYGGJVPCQJ-UHFFFAOYSA-N 369.804 4.054 0 40 FIAB O=C1OCC[C@H]1Sc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 6972734 IAHXBRDMGQNIQV-GOSISDBHSA-N 368.433 4.145 0 40 FIAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccccc2)cs1 7038741 QUFPEMIAOJBJRG-UHFFFAOYSA-N 366.442 4.203 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)c2cc(C)n(C)c2C)cn1 7382648 NVTXWFHIWBYCOX-UHFFFAOYSA-N 351.406 4.090 0 40 FIAB Cc1ccccc1CC(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 7476159 JGDPBQMRJJGNDB-UHFFFAOYSA-N 360.461 4.161 0 40 FIAB COc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1 7489669 UOHSLJKWHBYCNB-FQEVSTJZSA-N 353.443 4.041 0 40 FIAB c1coc(-c2nnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)c1 7763597 YNMSTPWXABCUKL-UHFFFAOYSA-N 371.447 4.277 0 40 FIAB O=c1c(Cl)c(Oc2ccc3ccncc3c2)cnn1Cc1ccccc1 7785374 DUYNGQFSPNOEHG-UHFFFAOYSA-N 363.804 4.286 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)CC2=O)c(C)c1 7928042 HDCDZTMYYRDVFY-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB CC(C)c1ccc(C(=O)COC(=O)c2cc(O)c3ccccc3c2O)cc1 7980083 ZJUUIZCAXNPZKY-UHFFFAOYSA-N 364.397 4.414 0 40 FIAB Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1NC(=O)c1ccco1 7990683 JRHCUIMRBRQNSB-SJLPKXTDSA-N 366.461 4.493 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ncn[nH]2)cc1 8313729 YAPGQHSFEIFXLY-UHFFFAOYSA-N 358.854 4.311 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1COc2ccccc2C1 8843775 SZWLZSXCHWTRCF-OAHLLOKOSA-N 368.433 4.063 0 40 FIAB CCN(Cc1ccncc1)C(=O)c1csc(Nc2ccccc2C)n1 9846091 JEUVEXJRLLXGFM-UHFFFAOYSA-N 352.463 4.252 0 40 FIAB Cc1cc(Nc2ccc(Br)cc2)nc(-n2nc(C)cc2C)n1 10215025 CANYCYYTJQKROS-UHFFFAOYSA-N 358.243 4.094 0 40 FIAB Cc1cccc(Nc2nnc(S[C@H](C(N)=O)c3ccccc3)s2)c1C 11413829 JATVPNQDAHBWLZ-HNNXBMFYSA-N 370.503 4.217 0 40 FIAB Cc1ccc2nc(-c3ccc(NC(=O)c4csnn4)cc3)sc2c1 11914504 OBIFUSDVESUUJT-UHFFFAOYSA-N 352.444 4.376 0 40 FIAB CCCOc1c(Br)cc(/C=C/C(=O)O)cc1Br 12394678 UKTCOUWLAOESAH-ONEGZZNKSA-N 364.033 4.098 0 40 FIAB Cc1cnc(C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cn1 12775014 RPGXHAOQKLZPLA-UHFFFAOYSA-N 358.854 4.046 0 40 FIAB Cc1ccc(CN(C)CC(=O)NCc2ccc(Cl)cc2Cl)cc1 13072794 CTNZBBVJBLBIHZ-UHFFFAOYSA-N 351.277 4.050 0 40 FIAB O=S(=O)(N[C@H]1CCSc2ccccc21)C1=Cc2ccccc2CC1 14229761 KMXCXAYCZAZJCD-SFHVURJKSA-N 357.500 4.130 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3nsnc3c2)cc(C)c1Cl 15841253 WRRCCOOXORFJID-NSHDSACASA-N 361.854 4.368 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 16046546 FVWGQVGHILQXJY-UHFFFAOYSA-N 350.418 4.087 0 40 FIAB Cc1ccc(CSCCNC(=O)c2ccccc2Br)cc1 17603452 OVIKOAUSMMMBBR-UHFFFAOYSA-N 364.308 4.421 0 40 FIAB Cc1ccc([C@@H](O)CN2CCC(c3noc4cc(F)ccc34)CC2)c(C)c1 19132392 VFSPRFNJAXIODC-FQEVSTJZSA-N 368.452 4.497 0 40 FIAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2CCc2ccccc2)n1 19572873 TVXSSYGRWCOLIU-PZJWPPBQSA-N 353.510 4.465 0 40 FIAB CCC(=O)N1CCC(c2cc(Cc3ccccc3OC)cc(C)n2)CC1 19691637 MRLKGTVATFNTIK-UHFFFAOYSA-N 352.478 4.105 0 40 FIAB CCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20141437 ZSGQQVLFUVXYCS-UHFFFAOYSA-N 351.402 4.398 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3c(C)nn(-c4ccccc4)c3C2)cc1OC 20632738 NIAOBFQVCWCOBF-INIZCTEOSA-N 362.429 4.111 0 40 FIAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(Cc3csc(C)n3)o2)c1 21331832 OZJYFPKDOJJSOH-LBPRGKRZSA-N 373.503 4.406 0 40 FIAB CC(C)n1ncc2cc(NC(=O)CSc3ccc(F)c(F)c3)cnc21 21709158 WJOAGUGPHPCROP-UHFFFAOYSA-N 362.405 4.021 0 40 FIAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccccc1F 22072865 SXEUHCNTMPBLKR-UHFFFAOYSA-N 351.381 4.094 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NC[C@H](c1ccco1)N1CCCCC1 22402688 NFFNPYRELCVPPG-VEGGFIAOSA-N 358.869 4.290 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1SCC(F)(F)F 25894699 LCHIZWUSTVPYQI-UHFFFAOYSA-N 370.440 4.435 0 40 FIAB CCCn1ccnc1S[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 26042023 QXOUNOVSJJCJCL-CQSZACIVSA-N 359.495 4.251 0 40 FIAB CCOc1ccccc1C(=O)NCCc1csc(-c2ccc(C)cc2)n1 27990788 DDHGFMWHJBTBIN-UHFFFAOYSA-N 366.486 4.490 0 40 FIAB Cc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)c(C)c2cc1Cl 28288412 BLYKUCFYGIOYEH-UHFFFAOYSA-N 370.792 4.286 0 40 FIAB CSc1ccccc1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 29174916 KPNOGQRLYFAAAM-HXUWFJFHSA-N 368.546 4.221 0 40 FIAB Clc1ccc(-c2nc(CSc3nnc(-c4ccc[nH]4)o3)no2)cc1 29393899 MDHMKYNNSXOLCL-UHFFFAOYSA-N 359.798 4.060 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 30555734 DFMJTGNXVZIXLV-FMIVXFBMSA-N 354.881 4.265 0 40 FIAB COc1ccc(NC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 31663465 RCMHITOZJKHUAZ-LLVKDONJSA-N 354.328 4.477 0 40 FIAB Cn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1C1CC1 32672032 STGDBWTZKZSJDR-UHFFFAOYSA-N 361.474 4.300 0 40 FIAB CC(C)(C)[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 32832750 NLSXXVGXKRSXGQ-RXVVDRJESA-N 364.489 4.481 0 40 FIAB COc1ccc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1 40870452 NSIHEBSMGNMAKI-UHFFFAOYSA-N 368.458 4.453 0 40 FIAB CCc1ccccc1NC(=O)CSCc1cc(=O)c2ccc(C)cc2[nH]1 41108669 DKOZPUXKOONFEW-UHFFFAOYSA-N 366.486 4.271 0 40 FIAB Cc1cc2cc(NC(=O)CCCc3nnc(-c4ccccc4)o3)ccc2[nH]1 43035581 FGPLHNSNHIFAQA-UHFFFAOYSA-N 360.417 4.488 0 40 FIAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@@H]1Cc1ccc(F)cc1 56589595 ZZXDSIJRXKEQPQ-GOSISDBHSA-N 366.396 4.115 0 40 FIAB O=C(NCc1cccc(O)c1)N1CCC[C@@H]1c1nc2ccccc2s1 57182042 IDCZKLPQVQUFTI-MRXNPFEDSA-N 353.447 4.049 0 40 FIAB CC(C)n1nccc1NC(=O)CNc1ccccc1SCC(F)(F)F 79017395 IYGHPQYYCMCNGX-UHFFFAOYSA-N 372.416 4.169 0 40 FIAB C[C@H]1CCC[C@H](OCc2cccc(NC(=O)c3cnn4cccnc34)c2)C1 84689713 RPSOIPGEIWUNCM-YJBOKZPZSA-N 364.449 4.077 0 40 FIAB Cc1nn(C)c2ncc(C(=O)N3CCCCC[C@H]3/C=C/c3ccccc3)cc12 84839365 WFCZIILCAAENOF-SJFMBGHLSA-N 374.488 4.375 0 40 FIAB CCCCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C 95945922 SNPIDNIOYJLYJM-UHFFFAOYSA-N 372.490 4.377 0 40 FIAB O=C1CC[C@@]2(CCCN(Cc3cccs3)CC2)N1Cc1cccc(F)c1 96047546 IKXHGNLOBMRFTM-OAQYLSRUSA-N 372.509 4.435 0 40 FIAB COc1ccc2[nH]c(C(=O)N3CCc4c([nH]c5ccccc45)C3)c(C)c2c1 96116448 IDBMDGOFYZZDLM-UHFFFAOYSA-N 359.429 4.165 0 40 FIAB biogenic CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3cccnc3)[C@@H]1[C@H]2C 100745186 BPMYDYKKXHFZDO-ZAGABRQDSA-N 358.482 4.122 0 40 FIAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1 113286992 MARBLAZIGZBBTF-OAHLLOKOSA-N 369.371 4.035 0 40 FIAB CC(C)c1ccc(CCCNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 219207772 ZJCBLFRARGMSFA-UHFFFAOYSA-N 364.489 4.299 0 40 FIAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225603091 YHIMEIWZTBNRQX-NRFANRHFSA-N 362.514 4.085 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=S)Nc2c(F)cccc2F)cc1C 225790648 XPYXVKKOZGYYSN-ZDUSSCGKSA-N 350.434 4.336 0 40 FIAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cnc(OCCOC)c(C)c1 225908604 VWIFMQVWCAMDRY-HXUWFJFHSA-N 366.502 4.119 0 40 FIAB C[C@H](O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 226273140 MCTFUEJIIINFCT-VIFPVBQESA-N 354.631 4.408 0 40 FIAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2cncc3ccccc23)CC1 257255454 KHNLCVCLWQSUFS-INIZCTEOSA-N 365.502 4.485 0 40 FIAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)C(C)C)C3)c2)c1 257283130 OWVZUPGFYRPTKL-GOSISDBHSA-N 352.478 4.428 0 40 FIAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)c1 306125526 CTFTUZIRNSJHEF-SFHVURJKSA-N 362.477 4.137 0 40 FIAB Fc1ccc(CN2C[C@H]3Cc4cnc(Nc5ccccc5)nc4[C@@H]3C2)cc1 306131150 JXUSTSWZHHXBMD-YLJYHZDGSA-N 360.436 4.131 0 40 FIAB Cc1cc(Br)cc(S(=O)(=O)Nc2cccc3cc[nH]c23)c1 548686715 RJXPZBSDBSSSRE-UHFFFAOYSA-N 365.252 4.040 0 40 FIAB Cc1cc(NC(=O)N2CC3(CCOCC3)[C@H]2C(C)C)c2ncccc2c1 569694928 SEQZJPMYAFPCIG-LJQANCHMSA-N 353.466 4.212 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC[C@H](n2ccnc2)C1 601111145 PPWOVFPYWUDGQM-KRWDZBQOSA-N 354.454 4.074 0 40 FIAB Cc1ccccc1-c1nc(C)c(C(=O)N2CC[C@@]3(CCCOC3)C2)s1 606443325 HWVZZBSSASPYKE-FQEVSTJZSA-N 356.491 4.070 0 40 FIAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccncc1 1775976517 NPLYOEFPWMHMJD-UHFFFAOYSA-N 357.369 4.332 0 40 FIAB CCn1cc(CN2CC[C@H]3[C@@H](C2)CC(C)(C)N3c2cccc(F)c2)c(C)n1 2037978470 XVKQQPCNDCPBHK-UTKZUKDTSA-N 370.516 4.230 0 40 FIAB O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NC1CC1 780592 AQIKOKBNQYFVEG-UHFFFAOYSA-N 360.373 4.434 0 40 FIAB aggregator CC(C)C(=O)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12 811918 BUPHPRARJZRNIR-UHFFFAOYSA-N 360.457 4.065 0 40 FIAB O=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)N1Cc1cccs1 1422468 LUOUFCILZDDTNK-UYAOXDASSA-N 351.427 4.287 0 40 FIAB CCOC(=O)c1cnc2cc3c(cc2c1Nc1cccc(C)c1)OCO3 1586144 QLUUJDISVWJREK-UHFFFAOYSA-N 350.374 4.192 0 40 FIAB Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(Cl)cc1 2207098 DDDKSFNUBQNFGE-UHFFFAOYSA-N 369.252 4.397 0 40 FIAB O=S(=O)(NCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 2736890 VWZWCLLFCKGISU-UHFFFAOYSA-N 350.654 4.125 0 40 FIAB O=C(N[C@@H](n1cnc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 3182022 JGVKACUMTBBOQR-HNNXBMFYSA-N 368.651 4.335 0 40 FIAB Cc1ccc([C@@H](NC(=O)N2CCCC2)C(Cl)(Cl)Cl)cc1F 3184214 YQZYYHOIITXJNH-GFCCVEGCSA-N 353.652 4.351 0 40 FIAB C[C@@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 3326258 SJQCHLNJHKAIML-LLVKDONJSA-N 364.228 4.128 0 40 FIAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C(C)=O)C1 3881622 IQCNQJXIOWBNAT-TVTJZYCKSA-N 374.521 4.201 0 40 FIAB biogenic Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2F)cc1 4585418 IJGITIQFVYPSMT-UHFFFAOYSA-N 373.387 4.086 0 40 FIAB COc1ccc(NCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1Cl 4661016 SPQJXDIHRQZHQW-CXUHLZMHSA-N 374.849 4.455 0 40 FIAB CSc1ccccc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 4940382 PNSXVVCLTUECCC-UHFFFAOYSA-N 364.470 4.179 0 40 FIAB CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@H]32)O1 4946282 PQAKWFPNNZNIJB-QHHCJMLQSA-N 350.499 4.312 0 40 FIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc21 5136342 JLZVDHMRLKEWIL-UHFFFAOYSA-N 358.388 4.152 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2 5557141 WVLYGPOXEUFRSD-DLBZAZTESA-N 367.840 4.036 0 40 FIAB COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ncccc3O)c2c1 5688836 VWJJPBJELFYRHD-UHFFFAOYSA-N 371.396 4.263 0 40 FIAB Cc1cc(C)nc(NC(=O)c2cccc(C(=O)Nc3cc(C)cc(C)n3)c2)c1 5935377 CFQMBECBCFSXIC-UHFFFAOYSA-N 374.444 4.215 0 40 FIAB CCc1noc(C)c1C(=O)Nc1nc(-c2c[nH]c3ccccc23)cs1 6606622 FHJKHSOSNCGADE-UHFFFAOYSA-N 352.419 4.403 0 40 FIAB Cc1nc(SCC(=O)NCc2cccs2)n(C2CCCCC2)c1C 6657486 LXCORHDNUMZICR-UHFFFAOYSA-N 363.552 4.475 0 40 FIAB O=C(Nc1cccc2ncccc12)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 6760011 WIGUSOCTDMXRAD-SFHVURJKSA-N 351.793 4.020 0 40 FIAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1 7882571 KOYXUXLCDLCUJB-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB COc1ccc(CNC(=O)c2sc(-c3ccsc3)nc2C)cc1OC 7955599 UJEFWJFURNSXHP-UHFFFAOYSA-N 374.487 4.127 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(C(=O)OC)ccc1Cl 8041560 PCVVCMVFGIQPSY-OAHLLOKOSA-N 365.788 4.062 0 40 FIAB CSCc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 8725618 BPDHQYKPRXOTCF-GOSISDBHSA-N 351.475 4.403 0 40 FIAB Cc1ccc(COc2ccccc2C(=S)N2C[C@@H](C)O[C@H](C)C2)cc1 9189007 LVCCXBPIAGDXRV-IAGOWNOFSA-N 355.503 4.359 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)c1 9227793 WFTBPAJCKVHILF-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB C[C@H](c1ccccc1)N(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 10030960 ZXCRAMBUWHUEGH-PXAZEXFGSA-N 374.893 4.363 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)c1cccs1)c1cc(F)cc(F)c1 10515014 UHZONIRDXUUTNI-KRWDZBQOSA-N 365.426 4.094 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10902544 NRYKGWKVCVJGQG-HNNXBMFYSA-N 368.502 4.141 0 40 FIAB Cn1ccnc1[C@H](NC(=O)Nc1cccc2ccccc12)c1ccccc1 11007787 OMBIDPONYRMVSY-HXUWFJFHSA-N 356.429 4.484 0 40 FIAB O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN1c1ncnc2ccccc12 11247411 ATGQBIBWWFWRLL-QGZVFWFLSA-N 370.815 4.030 0 40 FIAB Cc1sc(-c2ccc(F)cc2)nc1C(=O)Nc1ccc2c(c1)OCO2 11691868 ZTWYBOKFGNMBAC-UHFFFAOYSA-N 356.378 4.239 0 40 FIAB CC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12088962 XFLHJQFIXIYMOI-QGZVFWFLSA-N 352.478 4.003 0 40 FIAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CC=CCC1 12481738 QIOHYBKFFCRLCO-LBPRGKRZSA-N 355.265 4.137 0 40 FIAB O=S(=O)(N[C@H](c1ccccc1)c1cccs1)c1ccc(F)cc1F 12773944 CNKWJJUCFUNXFX-QGZVFWFLSA-N 365.426 4.094 0 40 FIAB Clc1ccc(OCCN2CCN(c3nc4ccccc4s3)CC2)cc1 12809685 MIASPNJGZZTOAC-UHFFFAOYSA-N 373.909 4.151 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1 12810520 RCYVPUBHQOEAOZ-UHFFFAOYSA-N 352.337 4.352 0 40 FIAB O=c1[nH]c(CNc2ccc3c(c2)CCC3)nc2scc(-c3ccco3)c12 12811834 YLNKVCCWBPWNIS-UHFFFAOYSA-N 363.442 4.345 0 40 FIAB COc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c1O 13127747 FXGZOASXLBHBHB-HUUCEWRRSA-N 363.461 4.493 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1OCc1ccccc1 13687179 YZFKITOXHIGSSQ-UHFFFAOYSA-N 361.397 4.289 0 40 FIAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC(C)(C)C 14001594 IDAZBFLDHYSEKK-UHFFFAOYSA-N 368.477 4.356 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1F 15331146 FYPMHYLDIFZVFJ-SECBINFHSA-N 356.166 4.133 0 40 FIAB O=C(Cc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 15832091 BCFHSLIXOSFOIF-UHFFFAOYSA-N 354.837 4.430 0 40 FIAB Cc1ccc(Cn2cc(C(=O)Nc3cccc(Cl)c3)ccc2=O)cc1 15883124 PMNWAURHYVGHFJ-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N1CCCCCC1 16070367 NJBMBHYRDWQMJQ-CYBMUJFWSA-N 368.572 4.166 0 40 FIAB S=C(Nc1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 16186500 GMEJKNIGJWGKPP-UHFFFAOYSA-N 363.490 4.480 0 40 FIAB CCN1C[C@@H](CN(C)Cc2cc(-c3cccs3)on2)Oc2ccccc21 16423740 BAOYVSYPSRCKCQ-MRXNPFEDSA-N 369.490 4.122 0 40 FIAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 17073332 QTYPBXSJZNITPO-SFHVURJKSA-N 354.454 4.034 0 40 FIAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)[C@H](C)n2ccnc2C(C)C)C1 19237323 QDXXLWVVLPCAFZ-RBUKOAKNSA-N 369.509 4.194 0 40 FIAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nn(-c3nc4ccccc4[nH]3)c2C1 19817377 CAXUWORWFHYYAE-HNNXBMFYSA-N 356.429 4.278 0 40 FIAB O=C(COc1ccccc1F)Nc1cccc(-c2nc3cnccc3o2)c1 20739127 MBNZQALMYBBKOK-UHFFFAOYSA-N 363.348 4.046 0 40 FIAB Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc(Cl)c3)nn12 21596030 FBXVGZNWIOIWOD-UHFFFAOYSA-N 369.837 4.067 0 40 FIAB O=C(NC(=S)Nc1ccccc1)c1cccc(OCc2ccccc2)c1 21596210 NVAUGKQDJJRMBS-UHFFFAOYSA-N 362.454 4.392 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 23685201 LSWWFEZFTRZLMH-JTQLQIEISA-N 368.216 4.186 0 40 FIAB CC(=O)c1ccc(N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)cc1 23864783 TUZREIWMPSLTNL-HNNXBMFYSA-N 365.502 4.382 0 40 FIAB CCCc1ccccc1NC(=O)COc1cccc(NC(=O)C2CC2)c1 24505232 DEZBDRZRNNXLIU-UHFFFAOYSA-N 352.434 4.005 0 40 FIAB COc1ccccc1NC(=O)COc1c(C)cc(Br)cc1C 28284384 DMXIMIAHDPJTBZ-UHFFFAOYSA-N 364.239 4.092 0 40 FIAB CCOCc1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 28331593 BBBQDSSLLXCKAF-UHFFFAOYSA-N 374.289 4.008 0 40 FIAB C[C@@H](NC(=O)CNc1ccccc1N1CCCCCC1)c1cccs1 29934654 PMMQNGAGZQUUPM-MRXNPFEDSA-N 357.523 4.418 0 40 FIAB CN(CC(=O)Nc1ccccc1Cl)Cc1coc(-c2ccc(F)cc2)n1 31001494 WQVNRJLUENTAPG-UHFFFAOYSA-N 373.815 4.205 0 40 FIAB COC(=O)c1ccc(CSc2nnc(COc3ccc(C)cc3)o2)cc1 31621003 KTRWQXFOTAYBOS-UHFFFAOYSA-N 370.430 4.036 0 40 FIAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(C)cc1 33660509 NCMGPGJCEAQMSZ-UHFFFAOYSA-N 366.490 4.080 0 40 FIAB C[C@]12CC[C@@H]3c4ccc(O)c(Br)c4CC[C@H]3[C@H]1CC[C@@H]2O 34094858 WSJCDIBESNMSPH-GTQMNPBKSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro Cc1ccccc1CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 39759933 PWSMTMHSOKGBBK-UHFFFAOYSA-N 356.897 4.177 0 40 FIAB COc1cc(NC(=O)N[C@H](C)c2cccc(Cl)c2)cc(OC)c1OC 43170545 ULROCNPVUQHEQP-LLVKDONJSA-N 364.829 4.249 0 40 FIAB Fc1ccc(F)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1 43277838 URVOGHUGBIBMMJ-UHFFFAOYSA-N 359.395 4.393 0 40 FIAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 44933433 ILTYFJLVWKILFS-XLIONFOSSA-N 354.469 4.224 0 40 FIAB Fc1ccc(-c2noc([C@@H]3CCCN3CCCc3ccccc3)n2)nc1 49155375 LTCHHTTVJQDJJU-SFHVURJKSA-N 352.413 4.040 0 40 FIAB biogenic,in-vitro COc1cccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccccc2)c1OC 49545628 YSKNFDKVPWILKC-MRXNPFEDSA-N 363.417 4.072 0 40 FIAB O=C(NC[C@H]1CCCOC1)c1oc2ccccc2c1COc1ccccc1 55919772 CJXXBKFOTAXJPD-MRXNPFEDSA-N 365.429 4.168 0 40 FIAB CCn1c(-c2ccco2)nn(CN2CCCc3ccc(F)cc32)c1=S 58161858 KOEPDCBBXIFGJE-UHFFFAOYSA-N 358.442 4.243 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3nc(C)sc3C(C)C)c2c1 72402183 DYJLDEOVRFTKDE-UHFFFAOYSA-N 357.479 4.037 0 40 FIAB O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1c(F)cc(F)cc1F 72536451 IWPSNUMKYJEABJ-UHFFFAOYSA-N 351.715 4.195 0 40 FIAB Cc1coc(-c2cc(NC(=O)CSc3ccccc3O)ccc2C)n1 95451799 XGSVDDGESQHUFX-UHFFFAOYSA-N 354.431 4.395 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)N(Cc1cnc2ccccn12)c1ccccc1 96102994 YZTITWVMLASJPD-GOSISDBHSA-N 371.440 4.335 0 40 FIAB COc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 107752094 IUKBSJKDVDQOSG-PKTZIBPZSA-N 373.537 4.273 0 40 FIAB CC1=NN(c2ccccc2)C(=N)/C1=N/Nc1cccc(Br)c1 111912402 LHCUFKAUDXSVMQ-ALKJHRAUSA-N 356.227 4.090 0 40 FIAB COc1cc2ccccc2cc1C(=O)NCc1nc(-c2ccc(C)cc2)no1 219395319 HKMZTRZHKVSDEB-UHFFFAOYSA-N 373.412 4.137 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)N[C@@H](C)COc2ccccc2C)ccc1Cl 222854656 SEJVETVBHPCXSS-HOTGVXAUSA-N 361.869 4.308 0 40 FIAB Cc1ccc(CNC(=S)Nc2ncc(Cl)c(C)c2Br)o1 223905096 KNTVACFIZRXLNO-UHFFFAOYSA-N 374.691 4.194 0 40 FIAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224646168 SVTGJPYWKWCJMA-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(SCC(C)C)s1 224724067 QCLOVKXIFWALKT-GFCCVEGCSA-N 365.524 4.255 0 40 FIAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1cccc(Cl)c1)C2 225489492 CSHRTKZPAILPJY-SFHVURJKSA-N 356.853 4.380 0 40 FIAB biogenic,in-vitro COc1cc2c(cc1S(=O)(=O)Nc1cc(Cl)ccc1C)CCCC2 225493094 XLLUFFXNRRHFBN-UHFFFAOYSA-N 365.882 4.337 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc3ccccc23)s1 225506542 TVUTWENDRQABBS-LLVKDONJSA-N 359.476 4.209 0 40 FIAB O=C(Cc1cccc(Br)c1)NCCCc1ccccc1Cl 225620289 BBCHPOIMJNPIFK-UHFFFAOYSA-N 366.686 4.394 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1Cl 408597976 XBVKLDVQZBIWQF-UHFFFAOYSA-N 357.884 4.261 0 40 FIAB Cc1cc(C)cc(OCC(=O)NCCSCc2cccc(Cl)c2)c1 408705916 QGXLBFSZBWSKDD-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB Cc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)c(C)c1 408707419 ALYVTJKNOSLQLM-UHFFFAOYSA-N 372.468 4.190 0 40 FIAB O=C(NCc1ccc(-c2cccs2)o1)c1ccc(Br)o1 575607738 BWLHMHJHGRSCMY-UHFFFAOYSA-N 352.209 4.294 0 40 FIAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 575617018 MIQKXHDOGJOLAZ-AWEZNQCLSA-N 371.843 4.153 0 40 FIAB CCOC1CC(Cc2nc(-c3ccc(CN4CCC(C)CC4)cc3)no2)C1 585084073 SFQCCWLTZYDEQW-UHFFFAOYSA-N 369.509 4.326 0 40 FIAB COc1ccc2c(NC(=O)[C@@H](Oc3cccc(Cl)c3)C(C)C)n[nH]c2c1 1139541020 MPUAZFHILSFXSX-KRWDZBQOSA-N 373.840 4.267 0 40 FIAB Cc1cncc(C(=O)N2CCC[C@@]23CN(c2ccc(F)cc2)C(C)(C)C3)c1 1615117112 ABFCBUQJDJCDAV-JOCHJYFZSA-N 367.468 4.193 0 40 FIAB Cc1cc(N2CCC(c3noc4cc(F)ccc34)CC2)n2nc(C)cc2n1 2086867363 OZUHGGHLZOPPQI-UHFFFAOYSA-N 365.412 4.010 0 40 FIAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 779611 GYMULKBMDCZDSX-NMNUPHIUSA-N 360.501 4.300 0 40 FIAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 840466 JSZAEMKGHBNFJW-GFCCVEGCSA-N 368.260 4.128 0 40 FIAB Cc1nc(CSc2ccc(Cl)cc2)cc(N2C[C@H](C)O[C@@H](C)C2)n1 1392247 AHOLCSNBDHKBQQ-STQMWFEESA-N 363.914 4.344 0 40 FIAB O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)C1CC1 1447975 SNGJEOBORHKBJO-UHFFFAOYSA-N 363.394 4.385 0 40 FIAB biogenic Fc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1 2448917 BAZLVRNFMPKWSY-UHFFFAOYSA-N 350.422 4.306 0 40 FIAB O=C(O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1ccc(Cl)c(Cl)c1 2580199 JYQCSJCGYJVAPY-UHFFFAOYSA-N 369.044 4.167 0 40 FIAB Cc1nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2s1 2636418 BEFHMZPTHWJNNI-UHFFFAOYSA-N 372.393 4.424 0 40 FIAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3041262 RYHJFXKQKDSRDR-UHFFFAOYSA-N 372.346 4.168 0 40 FIAB CC(C)[C@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2[nH]1 3334223 LUXRQUSFECVKDF-INIZCTEOSA-N 372.266 4.453 0 40 FIAB Cc1occc1-c1nnc(S[C@@H]2CCCCC2=O)n1-c1ccccc1 3416006 CLLGMGFTJNRANI-QGZVFWFLSA-N 353.447 4.440 0 40 FIAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCCCC1 3655954 FBXGCNLQHVSZLP-UHFFFAOYSA-N 364.445 4.304 0 40 FIAB Cc1ccc2cc(CCNC(=S)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 4225307 IEDDVOKURPKXDD-UHFFFAOYSA-N 371.893 4.019 0 40 FIAB Cc1ccc(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc3c2cnn3C)c(C)c1 4272743 AJNUACNRVJFJTC-GJZGRUSLSA-N 364.497 4.206 0 40 FIAB CCOc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1 4295372 AOKUAEKEKQLBJW-UHFFFAOYSA-N 366.446 4.139 0 40 FIAB C[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1cccc(Cl)c1Cl 4682620 JLPHZEBZXGYGFK-LLVKDONJSA-N 369.248 4.258 0 40 FIAB Cc1ccc2oc(-c3cc(NC(=O)c4cccnc4)cc(C)c3O)nc2c1 4988462 XVMAHBAGBWNDMF-UHFFFAOYSA-N 359.385 4.465 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2nc(-c4cccs4)nc32)cc1Cl 5156331 IRHBRAHMQPEUCX-UHFFFAOYSA-N 366.837 4.154 0 40 FIAB CCCn1c(CCCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 5235263 BPVITCJZGBPSSY-UHFFFAOYSA-N 355.869 4.462 0 40 FIAB FC(F)(F)c1cccc(NCc2nnc(S)n2-c2ccccc2)c1 5448761 UKJGPQBKVUQBBV-UHFFFAOYSA-N 350.369 4.187 0 40 FIAB O=S(=O)(c1ccccc1)[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1 5722014 QWDDSJFANYSBPX-NHCUHLMSSA-N 365.454 4.370 0 40 FIAB CCOc1ccccc1NC(=O)[C@@H](Sc1nccn1C)c1ccccc1 6369257 JLKCLQRMSLFSLP-SFHVURJKSA-N 367.474 4.291 0 40 FIAB COC(=O)c1ccc(COC(=O)c2oc3ccccc3c2COC(C)C)o1 6578912 FUEUOVOYYWEOQJ-UHFFFAOYSA-N 372.373 4.094 0 40 FIAB CC(C)[C@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)OCCCO2 6790029 GZXWZVDTRPEEHP-NRFANRHFSA-N 357.425 4.043 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1nc(Cl)ccc1Cl 6932317 HETANMTVNFIOCO-UHFFFAOYSA-N 373.623 4.146 0 40 FIAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1C 7044106 OAVRGIJYULEKLH-UHFFFAOYSA-N 367.474 4.257 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccsc3)n2)cc1 7213286 FTUMYFSWGHHWDA-UHFFFAOYSA-N 371.487 4.401 0 40 FIAB CC[C@@H]1CCc2sc(C(=O)Nc3ccnn3Cc3ccccn3)cc2C1 7989972 IHBQSAXCJLPCKQ-CQSZACIVSA-N 366.490 4.155 0 40 FIAB Cc1ccccc1OCc1nn2c(CSc3ccccc3)nnc2s1 8393207 NGJXSTJBSNNZTC-UHFFFAOYSA-N 368.487 4.366 0 40 FIAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2C)n1 8476593 PKKDGCQAHPKYJM-UHFFFAOYSA-N 354.841 4.036 0 40 FIAB Cc1cccc(NC(=O)Nc2nc(C(=O)NC3CCCCC3)cs2)c1 9318428 JDAIHIIIWKDZRX-UHFFFAOYSA-N 358.467 4.158 0 40 FIAB CCOc1cc(C=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 10039216 GQCOPNXNGCWGLD-UHFFFAOYSA-N 361.825 4.186 0 40 FIAB Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccccc1 10334910 CWWCSTTYXTUGBU-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(NC(=O)c2ccco2)c1 11181837 IIEYFGICRNIGAM-UHFFFAOYSA-N 360.413 4.202 0 40 FIAB O=C(NCC1(c2ccccc2)CC1)c1c[nH]c(=S)n1-c1ccc(F)cc1 11750427 SBXIUNHINYIMAZ-UHFFFAOYSA-N 367.449 4.136 0 40 FIAB COCCSCc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 12972391 FUNWRTBEEHMGLA-UHFFFAOYSA-N 360.504 4.148 0 40 FIAB CCCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC 13098562 IKNWCCGQBOUJDG-WJDWOHSUSA-N 371.820 4.482 0 40 FIAB COC(=O)c1ccccc1NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 15867408 VASBFRIYXFGBDM-UHFFFAOYSA-N 367.376 4.444 0 40 FIAB Cc1c(C(=O)COc2ccc(Cl)cc2C(N)=O)sc2ccccc12 16115351 INCQVGWHCLFBRG-UHFFFAOYSA-N 359.834 4.224 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CN(CC)CC)cc1 20046550 DGMCEVPZRMHHQX-NRFANRHFSA-N 370.493 4.333 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2cccc3c2-c2ccccc2C3=O)cc1 20168974 QLKBZYZLABYWTC-UHFFFAOYSA-N 371.392 4.327 0 40 FIAB CC[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(OC)cc1 20492271 ZPSDXQWKDHNTSZ-LJQANCHMSA-N 374.440 4.076 0 40 FIAB O=C(NCC1CCN(C2CCCC2)CC1)c1ccccc1C(F)(F)F 23127961 TWCMWAQIMHTVMR-UHFFFAOYSA-N 354.416 4.090 0 40 FIAB Cc1cccc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 27662537 DJZMPMHSSDJUKS-LJQANCHMSA-N 372.534 4.169 0 40 FIAB CCc1ccc(CN(C)C(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1 30979671 ZEQFYNSBQSHZRR-UHFFFAOYSA-N 367.493 4.185 0 40 FIAB CCC(CC)[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 32937690 YKHXHICEURTFNA-HXUWFJFHSA-N 354.450 4.392 0 40 FIAB O=C(Cc1ccc(Br)cc1)NCCCn1ccc2ccccc21 33028413 XVKYIQQJFWFAOG-UHFFFAOYSA-N 371.278 4.153 0 40 FIAB CC(C)C(NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)C(C)C 38849163 SWVVNNVDRQZJMZ-KRWDZBQOSA-N 350.934 4.349 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccccc2F)CC1 39744740 CKYBPBUBQHYEPD-SFHVURJKSA-N 368.496 4.175 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccc(C)cc2)c1 45719101 WMDPVNZICRDMOD-CVEARBPZSA-N 353.466 4.417 0 40 FIAB O=S(=O)(/N=C(\O)c1ccc(Cl)cc1Cl)c1ccc(Cl)s1 46928685 FTWOJFIEJPCERC-UHFFFAOYSA-N 370.666 4.402 0 40 FIAB Cc1nc(-c2ncccn2)sc1C(=O)Nc1cc(C(C)(C)C)ccc1O 47303970 YCPWXFBOQBAPGA-UHFFFAOYSA-N 368.462 4.164 0 40 FIAB Cc1cc2nc(NCCNc3ccc4ccccc4n3)c3ccccc3n2n1 48341756 UDLZUXFZCJXTAP-UHFFFAOYSA-N 368.444 4.263 0 40 FIAB C[C@H]1CN(c2ccc(CNc3ccnc4cc(Cl)ccc34)cn2)CCO1 52245272 SZFABUNKXHQZEL-AWEZNQCLSA-N 368.868 4.120 0 40 FIAB O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2cccc(F)c2)CC1 53019179 UIZAXLJSTOXRKW-UHFFFAOYSA-N 362.832 4.035 0 40 FIAB COCCOc1cccc(NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 56712442 SDHOSAIDBSDNQV-GOSISDBHSA-N 360.841 4.174 0 40 FIAB CCN(CC)c1nc2sc(C(=O)OCc3nccs3)cc2s1 58377821 GFPHSUOFWOACQL-UHFFFAOYSA-N 353.494 4.018 0 40 FIAB O=C(c1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358458 DMWSVEFPBKYUDZ-QGZVFWFLSA-N 361.420 4.303 0 40 FIAB O=C(c1ccccn1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380318 CZHABKGPJUQSMH-OAHLLOKOSA-N 366.852 4.145 0 40 FIAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 77200116 ZOORNZZERQEHOT-HOTGVXAUSA-N 374.387 4.255 0 40 FIAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1c[nH]nc1-c1ccccc1 79474209 IMGTZECCSJXBNK-KRWDZBQOSA-N 353.451 4.278 0 40 FIAB Cc1csc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)c1 85556441 RJUBDWQUSDNXFB-UHFFFAOYSA-N 366.490 4.360 0 40 FIAB O=C(CN1CCC(c2nnc(-c3ccoc3)o2)CC1)c1ccc(Cl)cc1 90591534 SOHLSXRYEDWHKN-UHFFFAOYSA-N 371.824 4.045 0 40 FIAB Cc1ccc(N2CCC[C@]3(CCN(Cc4ccc(Cl)c(F)c4)C3)C2)nn1 96217069 FAGRCVCRUZVKQK-HXUWFJFHSA-N 374.891 4.070 0 40 FIAB CCOC(=O)[C@@H]1C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@H]32 97056204 UJAQRLRRCXIJFW-VCOUNFBDSA-N 352.478 4.239 0 40 FIAB O=C(Oc1ccc(OC(=O)C2[C@H]3CCCC[C@@H]23)cc1)C1[C@H]2CCCC[C@H]12 100026609 NXYUXWLWWNZYRE-YLQJXANPSA-N 354.446 4.370 0 40 FIAB O=C1CC2(CCN(C(=O)Nc3ccccc3)CC2)Oc2ccc(Cl)cc21 170550367 IQVGYJZAHSJZKM-UHFFFAOYSA-N 370.836 4.372 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 216401070 XMLXEBZMJNPCJZ-UHFFFAOYSA-N 373.474 4.383 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)ccc1C)CC(C)(C)O2 218952070 LSZVTBPCVREZDI-GOSISDBHSA-N 369.461 4.109 0 40 FIAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC 222576822 UEMQGOJQZBZZSB-BKTGTZMESA-N 369.490 4.078 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 222610445 KAEGTZKVZYFGNX-QGZVFWFLSA-N 351.368 4.488 0 40 FIAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccccc3)cn2)C1 223923198 NGGWMPZGXVZWBJ-HZPDHXFCSA-N 354.523 4.051 0 40 FIAB COc1cccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 224090036 JMIOKQIEVFALOP-KRWDZBQOSA-N 367.489 4.090 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(OC)c(C)c1 224411253 IUJYYQDBQSGIJA-INIZCTEOSA-N 353.871 4.087 0 40 FIAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225054137 CVJDVSWZTFCZBU-UHFFFAOYSA-N 355.459 4.372 0 40 FIAB CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 225363976 JFKFLHHFEJAJQQ-FQEVSTJZSA-N 368.496 4.175 0 40 FIAB Cc1cc(C)nc(Nc2cccc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)n1 225915111 VQRMLHIUHRLFEW-HNNXBMFYSA-N 364.424 4.467 0 40 FIAB Fc1ccccc1-c1noc(-c2cncnc2N[C@@H]2CCc3ccccc32)n1 252489686 JWVNYWAZWVTGGC-GOSISDBHSA-N 373.391 4.432 0 40 FIAB CC(C)c1cc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc(O)n1 273606713 UHYPCLHBNUODCD-MJGOQNOKSA-N 372.440 4.042 0 40 FIAB COCCNC(=S)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408574264 LJEIXBFCQPQPOO-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB O=C(O)c1cccc(OCCN2CCC[C@@H]2c2nc3ccccc3s2)c1 570337990 KLGQLJLYYLEUIC-QGZVFWFLSA-N 368.458 4.210 0 40 FIAB C[C@H]1C[C@H](C)CC[C@H]1NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 1126139553 QWZCIBOPTBBEMR-VNHYZAJKSA-N 365.399 4.446 0 40 FIAB c1cc(-c2cnc3nc(C4CCN(C[C@H]5CCCO5)CC4)ccc3c2)ccn1 2086896514 GLJDFOOPMWPBCZ-OAQYLSRUSA-N 374.488 4.050 0 40 FIAB CC[C@H](C)OC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 783686 XNFDIMOGCQLTHD-QWHCGFSZSA-N 356.447 4.028 0 40 FIAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)O)c1nc3cc(Cl)c(Cl)cc3nc12 1020464 RRVIKQNVFGIWFP-DLBZAZTESA-N 351.233 4.350 0 40 FIAB COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1CCCC2 1904255 IVBZXYLQCTXKKD-UHFFFAOYSA-N 373.474 4.048 0 40 FIAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 2348897 WZNDXVXFTQSMTA-DFBJGRDBSA-N 365.385 4.303 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 2720385 SLWLUEDQCYOSPZ-AWEZNQCLSA-N 365.886 4.273 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)NC3CCC(C(C)(C)C)CC3)o2)n1 2781716 NRKINQOCPLFGRW-UHFFFAOYSA-N 357.498 4.476 0 40 FIAB CC(C)c1ccc(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1 3239188 WFGFLMRZEAACCU-UHFFFAOYSA-N 367.232 4.307 0 40 FIAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)N1CCCCCC1 3265205 PWKWWZWDDOFEMF-UHFFFAOYSA-N 363.885 4.098 0 40 FIAB Cc1ccccc1-n1c(SCC(=O)C(C)(C)C)nnc1-c1ccncc1 3415514 KRGZXELBHBOVRX-UHFFFAOYSA-N 366.490 4.345 0 40 FIAB CCc1cccc(C)c1NC(=O)c1ccc(I)cc1 3548615 KFFXTYABKJKOAN-UHFFFAOYSA-N 365.214 4.414 0 40 FIAB COc1cc(OC)c2nc(C)c3c(c2c1)N(c1ccccc1OC)CC3 4050979 FOVFUKZHBUGTNB-UHFFFAOYSA-N 350.418 4.263 0 40 FIAB COc1cc2nc(NC(=O)c3ccc(Cl)s3)sc2cc1OC 4479907 GBQGUHLWFSXUKE-UHFFFAOYSA-N 354.840 4.281 0 40 FIAB C[C@@]12Cc3nc4ccccc4c(N)c3[C@]1(C)Cc1nc3ccccc3c(N)c12 4648868 RPTYJCYZONUDMU-ZEQRLZLVSA-N 366.468 4.275 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 4888008 DWZJFQZNAPEGLD-FRIKZZABSA-N 366.480 4.450 0 40 FIAB Cc1nnc2ccc(-c3cccc(NC(=O)CCCc4ccccc4)c3)nn12 5168852 KFIZZVPGARWWJQ-UHFFFAOYSA-N 371.444 4.061 0 40 FIAB CCSc1nnc(SCc2cc(=O)oc3cc(OC)ccc23)s1 5450384 SGEIDQDWKQABGW-UHFFFAOYSA-N 366.489 4.057 0 40 FIAB CCc1ccc2c(COC(=O)/C=C/c3cccc(OC)c3)cc(=O)oc2c1 5860638 FFWMKYNQTHPYOJ-CSKARUKUSA-N 364.397 4.121 0 40 FIAB O=C(CSc1nc2ncccc2[nH]1)Nc1ccccc1-c1ccccc1 6188375 SOMBWDMPNHOWGV-UHFFFAOYSA-N 360.442 4.356 0 40 FIAB O=C(CCc1n[nH]c(=S)o1)Nc1cc(Cl)c(Cl)cc1Cl 6495065 QDGSWJWHDBXISH-UHFFFAOYSA-N 352.630 4.264 0 40 FIAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccccn4)c(C)c3cc2c1C 6624418 LWJXSOWMRNMBFO-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB biogenic CCN1C2=C(C(=O)CCC2)C(c2ccc(N(C)C)cc2)C2=C1CCCC2=O 6630224 RNLGJQCZZHSBNI-UHFFFAOYSA-N 364.489 4.186 0 40 FIAB Cc1cc(CNCCCN2CCCC[C@H]2C)c(C)n1-c1ccnn1C(C)C 6651238 ADCOFZNHLVXLOQ-GOSISDBHSA-N 371.573 4.226 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1 6670004 PUUFJIKLRJSCPH-RUDMXATFSA-N 356.328 4.280 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)cc1 6886332 JDVNHZIMPWKGOS-UHFFFAOYSA-N 365.454 4.422 0 40 FIAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1cccc(Cl)c1 6886362 JUIOBMJESSJDBB-UHFFFAOYSA-N 369.804 4.054 0 40 FIAB C[C@@H](NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1ccccn1 7737085 JTNSRLZMUMOBQP-QVKFZJNVSA-N 372.424 4.027 0 40 FIAB C[C@@H](NC(=O)COc1cccc(Br)c1)c1cc2ccccc2o1 7890211 KBOWCYZLHXMSIR-GFCCVEGCSA-N 374.234 4.452 0 40 FIAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(-c2ccccc2)s1 7959203 WMAZIFYIMKZKIM-GOSISDBHSA-N 368.458 4.091 0 40 FIAB COC[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 8036637 ZWRFSQAZBFRPFL-ZDUSSCGKSA-N 354.837 4.320 0 40 FIAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1cccc(Cl)c1 8313030 MFQHDUNHHBYCOW-UHFFFAOYSA-N 352.217 4.085 0 40 FIAB Cc1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 8570998 IYOLQJLSEBTEFX-UHFFFAOYSA-N 356.381 4.048 0 40 FIAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(F)c(F)c1 8863149 HETOAMDALXHPFY-SFHVURJKSA-N 364.461 4.373 0 40 FIAB O=Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 9235953 CCGXMVWCSABPSU-UHFFFAOYSA-N 358.608 4.477 0 40 FIAB O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)OCCCO2 9366743 FKBLJPNGQKQLHP-UHFFFAOYSA-N 366.186 4.002 0 40 FIAB COC[C@@H](C)Nc1nc(C)nc2scc(-c3ccc(OC)c(OC)c3)c12 9450807 LUMAALNGZQBTIX-LLVKDONJSA-N 373.478 4.131 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2cc(F)ccc2s1 10030656 AXEKYIVQTLLDNK-HNNXBMFYSA-N 358.438 4.200 0 40 FIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(F)cc1 11470996 DPLLBKHBJMEMKP-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB Cc1nn(CCC(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)c(C)c1C 12162182 USNVHTQNRMTAQB-VAPSRWTKSA-N 365.521 4.287 0 40 FIAB Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1C 12232634 DEKNECHYBRFGQZ-UHFFFAOYSA-N 350.443 4.383 0 40 FIAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCc1c(F)cccc1F 12422205 NXJMRFPGNVUPNZ-UHFFFAOYSA-N 362.763 4.132 0 40 FIAB Cn1c(C[C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2)nc2ccccc21 12627355 QMXXXJXOYGMCCH-HXUWFJFHSA-N 373.431 4.426 0 40 FIAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccccc1Cl 12884659 VCRFDQMYECSLEU-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB COc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1 13020189 RSRKVJNOMGPRTD-YWZLYKJASA-N 356.441 4.307 0 40 FIAB COc1ccc(/C=C/c2noc(C)c2NC(=O)COc2ccccc2)cc1 14140560 IUXNBSLJTHYEAX-JLHYYAGUSA-N 364.401 4.180 0 40 FIAB O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14230400 NDIWEFYHOVBTPE-QAPCUYQASA-N 364.470 4.006 0 40 FIAB COc1cc(C(=O)Nc2cccc(NC(C)=O)c2)ccc1OCCC(C)C 14236473 RPKWKFLVPSNGJA-UHFFFAOYSA-N 370.449 4.331 0 40 FIAB Cc1sc(NC(=O)[C@@H]2C[C@H]2C)nc1-c1ccc(Br)cc1 14911542 JYEHXPLHMRGHRV-PRHODGIISA-N 351.269 4.476 0 40 FIAB Cc1ccccc1Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1 15860780 LVGLWZNPKLWMTO-HXUWFJFHSA-N 372.468 4.375 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 18204477 LXCKEMLQCWJGNJ-STQMWFEESA-N 363.841 4.002 0 40 FIAB CC(C)c1ccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCC2)cc1 21170600 CFVULFRPYYPYGH-NRFANRHFSA-N 372.553 4.446 0 40 FIAB COc1ccccc1CNC(=O)c1cccnc1Nc1c(C)cccc1C 22073071 XMDPWFUZLLRJTE-UHFFFAOYSA-N 361.445 4.381 0 40 FIAB CCc1nc2ccc(NC(=O)Cc3ccc(OC)c(OC)c3)cc2s1 22254798 QFJNCCDNXPSLMH-UHFFFAOYSA-N 356.447 4.057 0 40 FIAB O=C1OC(c2ccc(Br)cc2)=N/C1=C/C=C/c1ccccc1 23410536 RLOBBVDTWSPYHV-LHQXNBGVSA-N 354.203 4.350 0 40 FIAB COc1ccc2cc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)c(C)nc2c1 25145354 ZJMHUYLGBRPFBQ-KBPBESRZSA-N 366.383 4.403 0 40 FIAB CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27741518 XKYMPOGQBYRWBQ-LJQANCHMSA-N 372.534 4.350 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)N[C@@H](C)[C@H]2CCCO2)cc1C 27893779 HFIBYWVIWWZDCM-MAUKXSAKSA-N 356.491 4.147 0 40 FIAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(C)nn2Cc2ccccc2)cc1 28240605 VKBFPZNRLWZKMC-QGZVFWFLSA-N 363.461 4.208 0 40 FIAB Cc1ccc(Cn2nccc2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 28292200 JUDAOHYJGFRBPR-GOSISDBHSA-N 363.461 4.263 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccccc1F 30869521 ZHSORJVFMATLLQ-LJQANCHMSA-N 361.482 4.341 0 40 FIAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1ccccc1Cl 32070135 FJZUXSOGQDCVDL-UHFFFAOYSA-N 363.804 4.473 0 40 FIAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1 32677449 LPYBMOVTKJFHIK-SFHVURJKSA-N 360.457 4.389 0 40 FIAB Cn1ncc2c(N[C@@H](c3ccc4c(c3)CCC4)c3cccs3)ncnc21 32888251 AFUIZIIPGRXCHT-SFHVURJKSA-N 361.474 4.115 0 40 FIAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1 33215916 MNLJQYJHYBPEQH-AREMUKBSSA-N 370.474 4.256 0 40 FIAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1 36357658 SRKIOYDZMGIJGT-AWEZNQCLSA-N 373.478 4.274 0 40 FIAB CCOc1ccc(-c2n[nH]cc2-c2nc(-c3cccnc3)no2)cc1Cl 38487803 DDXFIKVAOYEURG-UHFFFAOYSA-N 367.796 4.241 0 40 FIAB CN(Cc1ccc(Cl)s1)C(=O)NCCCOCc1ccccc1 40069033 XYRRUUVIBSFFRE-UHFFFAOYSA-N 352.887 4.150 0 40 FIAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2cccc(Br)c2)C1 40266690 VTQRLXHDLKZCBW-AWEZNQCLSA-N 369.222 4.153 0 40 FIAB O=C(NCc1c(Cl)cccc1Cl)c1cccnc1Br 41107478 GLRQEAAMPCJBPR-UHFFFAOYSA-N 360.038 4.081 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2cn3cc(Cl)ccc3n2)o1 43507073 NRHZGOGTBCETOO-WWSFBOLGSA-N 355.825 4.034 0 40 FIAB Cc1cccc(OCc2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)c1 71889844 RKULDAIYGGGZEZ-UHFFFAOYSA-N 368.408 4.193 0 40 FIAB CC(=O)CSc1nc(CN2CCC(C)CC2)nc2sc(C)c(C)c12 72307649 OUNLMZAVWMVFCL-UHFFFAOYSA-N 363.552 4.221 0 40 FIAB Cc1cccnc1Nc1cncc([C@H]2CCCN2CCc2ccccc2)n1 72376238 BQKCMCWFKXNITL-HXUWFJFHSA-N 359.477 4.303 0 40 FIAB CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 72378955 BQNILZGURGKZIF-SFHVURJKSA-N 366.509 4.287 0 40 FIAB O=C(c1ccsc1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177498 GDXAHLOPBCLZPU-LBPRGKRZSA-N 373.478 4.426 0 40 FIAB CC(C)c1nnc(/C=C/C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)o1 95428356 SVKQYDBPIUANBM-CMDGGOBGSA-N 374.872 4.489 0 40 FIAB COc1cccc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)c1 96046634 RXWXRCCKQDEWQV-UHFFFAOYSA-N 356.535 4.245 0 40 FIAB Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1C 98072998 WCWGMOXMGIAXJW-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB COc1ccc2c(c1)C(=O)N(C)[C@@H](c1csc(-c3ccc(C)cc3)n1)N2 102417549 MRVCUTOZOKAICS-SFHVURJKSA-N 365.458 4.323 0 40 FIAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCO[C@@H](c2nccs2)C1 111722574 YPHSSKOGNXKKLR-QGZVFWFLSA-N 373.478 4.070 0 40 FIAB COC(=O)c1cn(C(=O)COc2ccc3ccccc3c2)c2ccccc12 199416858 ZILCXERQEOEAGB-UHFFFAOYSA-N 359.381 4.300 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2cccc(C)c2)c1 216398211 YUXLKJAIHYTWLL-LJQANCHMSA-N 355.434 4.276 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219314605 WNPCZYUAWKEFGI-ROUUACIJSA-N 371.477 4.437 0 40 FIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)c1ccccc1 219384148 GKSRDWLLDWAIEW-GOSISDBHSA-N 362.926 4.463 0 40 FIAB COc1cc2c(cc1S(=O)(=O)N[C@H](C)c1cc(C)ccc1C)CCCC2 223038695 QZLISEMMPDXZKB-MRXNPFEDSA-N 373.518 4.230 0 40 FIAB Cc1cc(NC(=S)N[C@H](C)c2ccccc2)ncc1Br 223956331 WGPHLVZQDWLGRA-LLVKDONJSA-N 350.285 4.200 0 40 FIAB Cc1ccc(CCC(=O)NCC2(c3ccccc3)CCOCC2)cc1C 224573976 MTVCTJSDYUGZRU-UHFFFAOYSA-N 351.490 4.101 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224617503 NJVMGLNOEXQGTH-LJQANCHMSA-N 373.468 4.476 0 40 FIAB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(C)cc2C)c1C 225476429 YEESYYYFQSWACW-HNNXBMFYSA-N 356.491 4.446 0 40 FIAB O=C(NCc1cccnc1-c1ccncc1)Nc1ccccc1C(F)(F)F 225750399 UNLVFFZKXKIIEB-UHFFFAOYSA-N 372.350 4.484 0 40 FIAB COC(=O)c1cc(Br)c2[nH]c(-c3cccc(Cl)c3)nc2c1 226344362 HMFIQIDGZSOJNW-UHFFFAOYSA-N 365.614 4.432 0 40 FIAB CCOc1cc(C)c(/C=C2/SC(=O)N(CCOC)C2=O)cc1C(C)C 409131854 YNNUTOIOPCURJN-GZTJUZNOSA-N 363.479 4.200 0 40 FIAB CC1(C)CN(C(=O)Nc2csc(-c3ccccn3)n2)[C@@H]1c1cccnc1 515131008 WCFXEVLETAIMRN-MRXNPFEDSA-N 365.462 4.215 0 40 FIAB CC[C@@H]1C[C@H](C(=O)Nc2cc(C)ccc2Oc2ccccc2)CC(=O)N1 544559239 XTHPUSQMPIJINZ-JKSUJKDBSA-N 352.434 4.031 0 40 FIAB Cc1cccnc1CN1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 643912755 HVBGQMDGQSCFAY-FUDKSRODSA-N 363.505 4.155 0 40 FIAB COCc1cc(Cl)ccc1NC(=O)N1CC(C)(C)[C@@H]1c1ccncc1 645020370 GHXYQJQWBWJHNW-KRWDZBQOSA-N 359.857 4.496 0 40 FIAB Cc1nc(C(C)(C)C)nc(O)c1C(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C 1142870997 VEWLNJNAEXSOFN-HUUCEWRRSA-N 361.530 4.370 0 40 FIAB CC(C)(C)c1ccc2[nH]c(C(=O)N[C@@H]3CCCc4nc(O)ccc43)cc2c1 1629214382 JMPOCMCVJVAIRG-GOSISDBHSA-N 363.461 4.373 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3ccccc3Br)sc2C1 1510182 FMQWBKIHIWPEBN-VIFPVBQESA-N 351.269 4.283 0 40 FIAB Cc1cc(=O)c2cc3nc(-c4cccnc4)oc3c(Br)c2o1 1582372 VUFLUHDSNKDKFO-UHFFFAOYSA-N 357.163 4.067 0 40 FIAB O=C(Nc1ccccc1F)OCCOc1ccc(Br)cc1 1753707 HBXRBRASEKKYKW-UHFFFAOYSA-N 354.175 4.216 0 40 FIAB C[C@H]1CN=C(N(Cc2cccnc2)C(=O)Nc2ccc(Cl)cc2)S1 2292296 DGTDJJHTNYXTGY-LBPRGKRZSA-N 360.870 4.260 0 40 FIAB COc1ccc(C(=O)NC(=S)N2c3ccccc3C(C)=CC2(C)C)cc1 2316659 AITPRSIHNLKBTK-UHFFFAOYSA-N 366.486 4.412 0 40 FIAB Cc1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Br 2787566 REPKYVZQMRYERI-UHFFFAOYSA-N 356.145 4.486 0 40 FIAB Clc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)CCCC4 2796897 YVKMDAMUYFHDFH-UHFFFAOYSA-N 370.865 4.450 0 40 FIAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(Br)o1 3241704 ZOMXDNBORRBQFI-UHFFFAOYSA-N 374.238 4.371 0 40 FIAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 3659317 GAZPQIZCAQZVFS-BXUJETTOSA-N 368.408 4.096 0 40 FIAB COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccccc2)cc1 4059410 IHEVMFWAZNNRHL-FQEVSTJZSA-N 363.486 4.299 0 40 FIAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 4476971 OIUSFWZLENCEKX-GOSISDBHSA-N 363.244 4.269 0 40 FIAB COc1ccc(NC(=O)C2[C@@H]3CC[C@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 4482018 NIXANVSFKYDSKY-YFVFXCHESA-N 354.277 4.490 0 40 FIAB CCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccoc1C 4860811 VJOBOWDCBKVZMO-UHFFFAOYSA-N 374.441 4.126 0 40 FIAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=S)Nc1ccccc1Cl)C2 4886916 FABPAWUGIBMLHM-GOOCMWNKSA-N 351.947 4.422 0 40 FIAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2ccc(C)cc2)NC(=O)N1 4953307 MGLMWHSYLFTYTC-GOSISDBHSA-N 369.852 4.223 0 40 FIAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C)cc1 4973300 BIHDSWYZNFDQOQ-UHFFFAOYSA-N 359.385 4.459 0 40 FIAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(F)cc3)n2)cc1 5180109 AQGCLCUCBDLLRD-LBPRGKRZSA-N 370.453 4.293 0 40 FIAB CC(=O)Oc1ccc2c(c1)C(=O)C[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 5228499 REXFWMANWYNMPV-LLZYVPLJSA-N 370.445 4.040 0 40 FIAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)O 5332721 RHGCCTDOGPUFRI-ZRNYENFQSA-N 350.414 4.004 0 40 FIAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 5516741 VARYDMUNFODDJZ-FOCLMDBBSA-N 355.869 4.005 0 40 FIAB CC[C@](C)(NCCc1c[nH]c2ccccc12)c1nnnn1C1CCCCC1 5960766 MVGBZVBZQSAEHQ-NRFANRHFSA-N 366.513 4.117 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 6042696 OJSVRPMNHBWZND-LJQANCHMSA-N 355.434 4.440 0 40 FIAB CC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccccc2)nc1-c1ccccc1 6235360 POEWZVSJTGRIQI-CQSZACIVSA-N 366.442 4.419 0 40 FIAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)C(Cl)(Cl)Cl 6243344 ZFHHVROWPMDMPK-QMMMGPOBSA-N 353.702 4.383 0 40 FIAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3ccccc3)n2)cc1 6328241 UHBJCGHXSUEHHH-UHFFFAOYSA-N 365.458 4.340 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)COc1ccc(Br)cc1Cl 6838339 FQVPJCMOOYRBSE-ZWNOBZJWSA-N 360.679 4.176 0 40 FIAB CCOc1ccc2nc(SCc3cc(=O)oc4cc(O)ccc34)[nH]c2c1 6972207 PNTASDDQRKVODS-UHFFFAOYSA-N 368.414 4.066 0 40 FIAB CCOC(C(=O)Nc1ncc(C)s1)(c1ccccc1)c1ccccc1 7786653 SCHKPTJRCWEDBB-UHFFFAOYSA-N 352.459 4.370 0 40 FIAB COc1cccc(Nc2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1 8232339 GEKGCWSUQHGGNL-UHFFFAOYSA-N 368.462 4.126 0 40 FIAB COc1ccc(C(=O)CN(C2=NCCCS2)c2ccccc2C)cc1 8415736 VIXVDMLHSCQEFH-UHFFFAOYSA-N 354.475 4.186 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 8470110 CFANPIWCTUYKIC-UHFFFAOYSA-N 374.396 4.198 0 40 FIAB O=C(Nc1nc2ccc(NC(=O)c3cccs3)cc2s1)c1ccco1 8902743 WOIAQABARNSTLC-UHFFFAOYSA-N 369.427 4.455 0 40 FIAB CCOc1ccccc1C(=O)Nc1nnc(CCCc2ccccc2)s1 9227167 ZYPDNMCNVWVVMN-UHFFFAOYSA-N 367.474 4.364 0 40 FIAB Cc1c(C)n(C2CCCCC2)c2ncnc(NCCCn3ccnc3)c12 9421156 CBXWENHITKAKAL-UHFFFAOYSA-N 352.486 4.252 0 40 FIAB Cc1cc2oc(=O)c3c(c2c2c1C(=O)C[C@@H](c1ccc(F)cc1)O2)CCC3 11866502 TTYGDTJXMZTFTB-KRWDZBQOSA-N 364.372 4.436 0 40 FIAB CCN(CC)[C@H](CNC(=O)COc1ccccc1C)c1ccccc1Cl 11917280 LDBPEJQEFQKCOA-LJQANCHMSA-N 374.912 4.227 0 40 FIAB CCN1CCC[C@@H]1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 12275074 IFQPSCHGVVMSGT-CYBMUJFWSA-N 371.535 4.225 0 40 FIAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccccc1Nc1ccccc1 12537313 CDUBIHULDZMBEF-SFHVURJKSA-N 374.440 4.342 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3cccc(N(C)C)c3)cc2)cs1 12554075 CPBYXBTZLXUCKL-UHFFFAOYSA-N 351.475 4.115 0 40 FIAB O=C(NCc1ccncc1)c1ccccc1OCc1ccc(Cl)cc1 12554293 AQHWBWUVYJACOG-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccccc2Cl)CC1 12742746 HZVKVPJSNMVJPM-UHFFFAOYSA-N 371.864 4.206 0 40 FIAB Cc1ccc(N2C(=O)/C(=C\Nc3nccs3)c3ccccc3C2=O)cc1 12873757 UZSWLIPRCIJTTF-ATVHPVEESA-N 361.426 4.092 0 40 FIAB O=C1C[C@@H](c2ccccc2)Oc2cc(O)c(Cc3ccccc3O)c(O)c21 14558314 KSBALECVCJXYHU-IBGZPJMESA-N 362.381 4.101 0 40 FIAB biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 15883190 HIXGVPZYYVAUAC-UHFFFAOYSA-N 370.811 4.250 0 40 FIAB COc1ccc(Br)cc1/C=C/C(=O)N[C@@H](C)Cc1ccccc1 16849169 IAADOGJIBNEPJP-ZHZWZMEUSA-N 374.278 4.218 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(OC)c1 20452779 YRLPDTPICVRUGY-INIZCTEOSA-N 368.477 4.188 0 40 FIAB Cc1ccc(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)c(C)c1 20467833 IAPJPQIGEMDXLO-UHFFFAOYSA-N 358.804 4.237 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(-n2cccn2)cc1 21471259 OBQSCHJWAOWJGX-HNNXBMFYSA-N 373.412 4.090 0 40 FIAB Clc1cc(Cl)cc(-c2ccc(CNCCCN3CCOCC3)o2)c1 22076686 JTAAGBOYWLDACW-UHFFFAOYSA-N 369.292 4.065 0 40 FIAB CCn1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 22856219 PUPWKDHQBFEMES-UHFFFAOYSA-N 362.477 4.011 0 40 FIAB Cc1cc(C)c2cc(C(=O)N(C)C[C@H]3COc4ccccc4O3)[nH]c2c1C 23184266 ZAZGDSMVCIMASG-INIZCTEOSA-N 364.445 4.005 0 40 FIAB COc1ccc(-c2nc(COC(=O)CCc3ccco3)cs2)cc1OC 24455474 ZJCGDXPHALOFHQ-UHFFFAOYSA-N 373.430 4.096 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)NCc1coc(-c2cccs2)n1 26065109 XBKVCTVJBQYEOY-MDZDMXLPSA-N 361.426 4.281 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)ns2)cc1Cl 27988999 LRUVTTJWGDQWLH-UHFFFAOYSA-N 359.838 4.428 0 40 FIAB COc1ccc(-c2nc(CS[C@@H](C)C(=O)NC(C)(C)C)cs2)cc1 31413543 IBFNFKSFSBTEKT-LBPRGKRZSA-N 364.536 4.355 0 40 FIAB Cc1cnc2c(S(=O)(=O)N[C@H]3CCSc4ccccc43)cccc2c1 32444903 WXGHUOIOEJFBEC-INIZCTEOSA-N 370.499 4.059 0 40 FIAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)n1 32578683 NDXGDFTYVCYPEB-UHFFFAOYSA-N 373.359 4.156 0 40 FIAB COc1ccc(-c2cc(CN3c4ccccc4NC(=O)C[C@@H]3C)on2)cc1 32814800 YBYXEIMCCNAOEH-AWEZNQCLSA-N 363.417 4.088 0 40 FIAB CCCCc1[nH]c(SCC(=O)Nc2nc3c(s2)CCCC3)nc1C 36234993 IWWYDYQDEXZRPG-UHFFFAOYSA-N 364.540 4.127 0 40 FIAB CCCc1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 37385883 PVLUGYKURIFJHI-UHFFFAOYSA-N 354.269 4.202 0 40 FIAB Cc1nc(NCc2ccco2)sc1C(=O)NCc1ccccc1Cl 44903616 IJINNJYKERFDKB-UHFFFAOYSA-N 361.854 4.240 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1cccc2ccccc12)c1cccs1 45727713 MWSIBXVBWQKNOL-AUUYWEPGSA-N 366.486 4.346 0 40 FIAB CC(=O)Nc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1Cl 45987487 FBNNTMWQYTYMLK-YVEFUNNKSA-N 367.877 4.015 0 40 FIAB CC(C)CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078488 MDDRAWUGSQXJBO-UHFFFAOYSA-N 350.462 4.056 0 40 FIAB O=C(NCCc1ccccc1)Nc1cccc(COCc2ccco2)c1 47602505 HUXZMDBHMGQXIU-UHFFFAOYSA-N 350.418 4.361 0 40 FIAB Cc1nc(C)c(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)s1 49029292 UPQGNUMBDIQPFH-UHFFFAOYSA-N 369.233 4.369 0 40 FIAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccc(C)c1 49536365 ACZYKKMEYHDSIM-RDJZCZTQSA-N 372.538 4.060 0 40 FIAB CCc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364427 BIFNKHLNJOEBMM-GOSISDBHSA-N 358.441 4.408 0 40 FIAB CC[C@@H](c1ccccc1)c1nn2c(CN3CCCCCC3)nnc2s1 57524622 DORQFYSYCRNZKB-INIZCTEOSA-N 355.511 4.104 0 40 FIAB C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1cc2ccccc2o1 58145176 SJDGYYJXTAHDEA-JTQLQIEISA-N 365.414 4.235 0 40 FIAB COc1ccc(CNCc2ccc(Oc3cccnc3)c(F)c2)cc1OC 58163577 SHOFZMLAJCVYQZ-UHFFFAOYSA-N 368.408 4.320 0 40 FIAB CCOCc1ccccc1CNC(=O)c1cc(Cl)cc2cccnc12 59747188 CHJJSZACCNCGQM-UHFFFAOYSA-N 354.837 4.355 0 40 FIAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)N(C)C 62582227 JFWFQNSGVIQAHO-LPHOPBHVSA-N 371.550 4.361 0 40 FIAB COC(=O)Nc1cc(NC(=O)N[C@H]2CCCc3ccccc32)ccc1F 67323326 TTZFHGNIQFJNFW-INIZCTEOSA-N 357.385 4.203 0 40 FIAB Brc1ccc([C@@H]2CN(c3nc4ccccc4o3)CCO2)cc1 67904964 WRVULPYMFXRGCU-INIZCTEOSA-N 359.223 4.168 0 40 FIAB CCN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)c1cccnc1 68304604 SXFLZALRYIUGSY-UHFFFAOYSA-N 366.442 4.248 0 40 FIAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 69029389 LHYDFRXIQVUWBU-MRXNPFEDSA-N 360.454 4.151 0 40 FIAB COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1OC(F)F 69161816 GGUFADJQSDVORJ-SNVBAGLBSA-N 355.768 4.441 0 40 FIAB Cc1ccsc1[C@H](O)CNC(=O)C1c2ccccc2Oc2ccccc21 70635689 POGGDLPHCHTNSO-MRXNPFEDSA-N 365.454 4.144 0 40 FIAB O=C(NC[C@H](O)C1CCCCC1)NC(c1ccccc1)c1ccccc1 70636841 IGOATMMFZWVNHT-FQEVSTJZSA-N 352.478 4.016 0 40 FIAB Clc1ccc(-c2ccc(CN[C@H]3CCCN(c4ncccn4)C3)o2)cc1 71810443 WBWBUDVKDGNGGP-KRWDZBQOSA-N 368.868 4.149 0 40 FIAB CCN(CC)c1nc2sc(C(=O)Nc3cccc4[nH]ncc34)cc2s1 72311442 AZMIKPISOAKJSB-UHFFFAOYSA-N 371.491 4.333 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1cn[nH]c1-c1cccc(Cl)c1 72328877 WFZNPFVSDHNKKG-AWEZNQCLSA-N 353.853 4.481 0 40 FIAB COc1cc(COCC2CCN(Cc3ccccc3F)CC2)cc(OC)c1 75156554 DTDHYGAHGLGGMF-UHFFFAOYSA-N 373.468 4.272 0 40 FIAB COc1cccc(C(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)c1F 89236207 HTTQBJNVUZBGRG-CZUORRHYSA-N 365.408 4.396 0 40 FIAB Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(F)cc2)cc1 100424815 FSFPNTJCKHFHHB-FGZHOGPDSA-N 366.480 4.450 0 40 FIAB Cc1nc(C2=C(O)CN(Cc3c(F)cccc3Cl)C2=N)sc1C 102727429 UUXDYAJQCIDVGC-UHFFFAOYSA-N 351.834 4.315 0 40 FIAB Cc1ccc([C@H]2C=C(c3cccnc3)Nc3nc(C(F)(F)F)nn32)cc1 103265306 JREDAOCEUCXWLE-OAHLLOKOSA-N 357.339 4.056 0 40 FIAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1 222849672 HEIYGZUILCZODV-OAHLLOKOSA-N 361.869 4.173 0 40 FIAB CSc1ccc(Cl)cc1S(=O)(=O)N1CCCc2ccccc21 223440961 SJZKGEQWJRPXNG-UHFFFAOYSA-N 353.896 4.203 0 40 FIAB Cc1cc(C)c(S(=O)(=O)NCCOc2cccc3ccccc23)c(C)c1 223525527 UFOCHYCJWYAQKR-UHFFFAOYSA-N 369.486 4.122 0 40 FIAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccccc1 223667103 RQOXJPPBLLPZHE-UHFFFAOYSA-N 357.519 4.413 0 40 FIAB CC1CCN(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1 224331233 DRJYVZLFASIKDO-UHFFFAOYSA-N 354.469 4.030 0 40 FIAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc(N2CCCCC2)cc1 224959453 GZMJGTFOFKVLKL-UHFFFAOYSA-N 364.898 4.272 0 40 FIAB CCOc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1OCC 225063105 SCFHFDIQRQMXBT-UHFFFAOYSA-N 357.450 4.201 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccco2)cc1Cl 225805442 FODXSGAXVHRSDT-UHFFFAOYSA-N 366.870 4.029 0 40 FIAB COC(=O)c1cc(NC(=O)COc2cccc3c2CCCC3)ccc1Cl 225859261 JFCQIURXZVVENT-UHFFFAOYSA-N 373.836 4.023 0 40 FIAB CCCOc1ncc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C 225875771 KBQNLDMVEMFUGD-UHFFFAOYSA-N 372.440 4.005 0 40 FIAB O=C(O)/C=C/c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 226322777 VUYWEEQDUGMZCX-QPJJXVBHSA-N 366.200 4.109 0 40 FIAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(C)cc4)OCC[C@@]31C2 257212590 CECRXKQFPJJXFS-OPYGSTPGSA-N 371.521 4.030 0 40 FIAB COCCC(=O)N[C@@]1(C)C[C@H](c2ccccc2F)O[C@@H]2C[C@H](C)CC[C@H]21 257260293 LCFBUJYPZBDDOZ-DDAMMTDISA-N 363.473 4.003 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCC(c3cnccn3)CC2)cc1 257266356 MCQUHUTWLYKTDZ-UHFFFAOYSA-N 373.456 4.221 0 40 FIAB c1ccc(CNc2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)cc1 306136546 PWIKDUWJYCDKQN-SFHVURJKSA-N 361.493 4.073 0 40 FIAB CC1(C)CC(=O)c2cnc3c(-c4cccc(Br)c4)cnn3c2C1 408955142 SSIPSIMRXXXUGH-UHFFFAOYSA-N 370.250 4.314 0 40 FIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)O)c2)C1=O 409084278 CJCKOWMMGXBPKF-PILJQMSFSA-N 370.430 4.010 0 40 FIAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CCCC2(CCOCC2)C1 556769249 ODCHQEYAWYHNGR-UHFFFAOYSA-N 351.450 4.173 0 40 FIAB c1ccc(-c2cnc(Nc3cc(CC[C@H]4CCCN4)ncn3)s2)cc1 585263168 PITDFPVJMDBLIR-OAHLLOKOSA-N 351.479 4.028 0 40 FIAB COc1ccc2cc(-c3oc4cc(C)nc(O)c4c3CC(=O)O)ccc2c1 604405161 XNYNAQCETLVSBU-UHFFFAOYSA-N 363.369 4.298 0 40 FIAB biogenic Cc1cc(NC(=O)c2cccc(N3CCCC3=O)c2)cc(C(F)(F)F)c1 683071963 QYSCHIMUIVFHQD-UHFFFAOYSA-N 362.351 4.393 0 40 FIAB COc1ccc([C@@H](O)c2c(CN3CCCCC3)c3ccccc3n2C)cc1 633502 JUKLUPWONNDHHO-HSZRJFAPSA-N 364.489 4.255 0 40 FIAB CCCN(C(=O)c1cccs1)c1nnc(-c2ccc(OC)cc2)s1 1356516 IUURWSFGFGYLOR-UHFFFAOYSA-N 359.476 4.332 0 40 FIAB COc1ccc(C(=O)CCNc2ccc(C(=O)c3ccncc3)cc2)cc1 1432506 QMKVDKPBZBQMHN-UHFFFAOYSA-N 360.413 4.006 0 40 FIAB COc1cc([C@@H]2C(C)=C(C)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1591341 LDXJCLJHCJWUQF-FQEVSTJZSA-N 370.401 4.259 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1O)Nc1ccc(Cl)cc1Cl 2634874 LAIUIZSTRQELAE-UHFFFAOYSA-N 374.607 4.148 0 40 FIAB CN(Cc1ccccc1)C(=O)CSc1ccc(Br)cc1 3237454 VMNQPCGFOAQJBM-UHFFFAOYSA-N 350.281 4.200 0 40 FIAB O=C(NC1CCCCC1)C(=Cc1ccsc1)C(=O)NC1CCCCC1 3261125 RWDFVLMCGLNAGK-UHFFFAOYSA-N 360.523 4.029 0 40 FIAB CCOC(=O)C1=C(C)N(C2CCCC2)C(=O)N[C@H]1c1ccc(Cl)cc1 3418952 FXMNUHOQVHEOJO-KRWDZBQOSA-N 362.857 4.186 0 40 FIAB Cc1ccc(Cl)c(OC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1 3556351 BLLDIEBSZTUUBT-UHFFFAOYSA-N 356.809 4.158 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(Br)c1 3571335 BXCRDRPLWCKSHF-UHFFFAOYSA-N 372.218 4.279 0 40 FIAB Cc1ccc(-c2csc3ncnc(OCC(=O)N4CCCCC4)c23)cc1 3578174 QABLXONSVVXVIC-UHFFFAOYSA-N 367.474 4.058 0 40 FIAB CC1=NN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)[C@](O)(C(F)(F)F)C1 4178786 VPTWTDJFBDZDRX-QGZVFWFLSA-N 372.387 4.112 0 40 FIAB CCCCNc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1OC 4247578 IUFVMJUBGOXTPM-OAHLLOKOSA-N 370.449 4.091 0 40 FIAB CCC(CC)C(=O)Oc1coc(CSc2nc(C)cs2)cc1=O 4518811 PQTMKXSVVPYVCU-UHFFFAOYSA-N 353.465 4.039 0 40 FIAB CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)c1 5025931 QJXMTUODTDLOPA-UHFFFAOYSA-N 368.437 4.230 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C)c(C)n2CC(C)C)c1 5151972 PNPYLGZEWJPFAS-INIZCTEOSA-N 373.522 4.478 0 40 FIAB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1 5185511 AVVZYBYJDQFBOE-UHFFFAOYSA-N 368.389 4.150 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CSc1ccc2ccccc2c1 5780284 BRMPGCFNRZMBOL-HNAYVOBHSA-N 371.502 4.170 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccccc1 6273647 RABPVWYPEVZQAU-LJQANCHMSA-N 354.450 4.013 0 40 FIAB COc1ccc2c(COc3ccccc3Br)cc(=O)oc2c1 6510303 SXECOVQRISBTRK-UHFFFAOYSA-N 361.191 4.143 0 40 FIAB Cc1ccccc1C1=Nn2c(nnc2-c2cc(-c3ccccc3)n[nH]2)SC1 6786227 LPYAONSFASUOAK-UHFFFAOYSA-N 372.457 4.002 0 40 FIAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 6931956 OOEFZOAYNKCSQP-UHFFFAOYSA-N 367.251 4.403 0 40 FIAB Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)cs1 7109240 QKCPOFWINXRIME-UHFFFAOYSA-N 366.414 4.198 0 40 FIAB CCC(C)(C)NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 7329068 ICCXJFPMRQPZIM-LLVKDONJSA-N 363.552 4.213 0 40 FIAB Cc1ccc(-n2c(N)c(C(=O)NCCc3ccccc3)sc2=S)cc1 7499955 UDUGGOPRCCVEHV-UHFFFAOYSA-N 369.515 4.131 0 40 FIAB Cc1c(C(=O)Nc2ccnn2Cc2ccco2)oc2c(Cl)cccc12 7987584 VEQWXJQIFXXAPK-UHFFFAOYSA-N 355.781 4.485 0 40 FIAB COc1ccc(-c2nnc(SCc3nc4ccccc4o3)o2)c(OC)c1 8428890 ZHWXKMGJKXAFAF-UHFFFAOYSA-N 369.402 4.187 0 40 FIAB CC[C@@H](Sc1nnc(C)n1-c1ccccc1C)C(=O)Nc1ccccc1 8777710 YCJJSIMLYZJIDQ-GOSISDBHSA-N 366.490 4.394 0 40 FIAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NC1CCCCCC1 9155931 OESBHHUFJOKNRJ-NSHDSACASA-N 351.497 4.118 0 40 FIAB C[C@@H](NC(=O)COc1cccc2c1OC(C)(C)C2)c1cc2ccccc2o1 9593207 VZGWSSUISWXTOK-CQSZACIVSA-N 365.429 4.403 0 40 FIAB Cc1cc2occ(CC(=O)NCc3cnn(-c4ccccc4)c3)c2cc1C 10498580 KURSHOGMERGAHN-UHFFFAOYSA-N 359.429 4.094 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1C 11141151 ZHTLNFHUZOQXSX-UHFFFAOYSA-N 372.852 4.101 0 40 FIAB CCOc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 11467256 JULFAVQUSITZEU-UHFFFAOYSA-N 354.381 4.451 0 40 FIAB O=C(NCCc1cnn(-c2ccccc2)c1)c1cc2cc(Cl)ccc2o1 11556322 CUSRKERNVPEVLR-UHFFFAOYSA-N 365.820 4.244 0 40 FIAB CC(C)Cn1c(-c2ccc(F)cc2)cnc1S[C@H]1CCCCNC1=O 12535309 MCQYOTHGOCRVTD-KRWDZBQOSA-N 361.486 4.106 0 40 FIAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1 12855271 JBRJUILDTSYJCQ-GFCCVEGCSA-N 355.381 4.235 0 40 FIAB COc1cc(CCC(=O)Nc2nc3c(C)cccc3s2)cc(OC)c1 13006610 KNVMAKPBKVVRSD-UHFFFAOYSA-N 356.447 4.193 0 40 FIAB COC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 13548469 PLVUFXIIDSRTMY-UHFFFAOYSA-N 353.403 4.241 0 40 FIAB Cc1ccc(CN(C)Cn2nc(Cc3cccs3)n(C)c2=S)cc1 14093784 AURXFZNXMQIYFL-UHFFFAOYSA-N 358.536 4.001 0 40 FIAB CC[C@H]1c2ccsc2CCN1Cc1nc(COc2ccc(F)cc2)no1 14249531 OQWWKWHFQLSLBT-INIZCTEOSA-N 373.453 4.359 0 40 FIAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2Cc2ccccc2)cc1 14651002 ZRKLQDVBORGKAI-UHFFFAOYSA-N 372.468 4.297 0 40 FIAB COc1ccccc1CCC(=O)Nc1ccc(Br)cc1F 15007979 UGCSHRHRTZOQJW-UHFFFAOYSA-N 352.203 4.168 0 40 FIAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1ccc(C(F)(F)F)cc1 16301869 SHLBOLVBGGRQBA-DHZHZOJOSA-N 371.362 4.221 0 40 FIAB COc1cccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)c1 16960522 DPGNWDKOMQUKGQ-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1 17366964 VADKOYIRZWGTLY-UHFFFAOYSA-N 370.412 4.212 0 40 FIAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3c(c2)ncn3C)n1 19665843 BPHXFFBLBVMCNK-UHFFFAOYSA-N 370.456 4.119 0 40 FIAB Fc1ccc(-c2cc(-c3nnc4sc(-c5cccs5)nn34)[nH]n2)cc1 19827773 JEKSQZOLWWMICC-UHFFFAOYSA-N 368.422 4.111 0 40 FIAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1cccc(F)c1)C3 20609948 LIQVWUSOCSHPER-UHFFFAOYSA-N 367.420 4.252 0 40 FIAB biogenic CC(C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc2c(c1)OCCCO2 23058350 ZHBPEDHFLYPWOL-OAHLLOKOSA-N 354.450 4.410 0 40 FIAB Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCCCC3)c(O)n2n1 23156915 CJCQSWIOOXJXCI-AWEZNQCLSA-N 362.886 4.034 0 40 FIAB COc1cc(NC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)cc(OC)c1 24034070 QWCAUJPSRLASTD-LLVKDONJSA-N 369.339 4.129 0 40 FIAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 24959249 AYSOUAZSXWQUOY-JXFKEZNVSA-N 370.468 4.074 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)NOCc2ccccc2)cc1 25282930 GUKVZRTXPAYWCX-UHFFFAOYSA-N 352.459 4.217 0 40 FIAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)C1CCCCC1 28305163 ABVCENJTWLOTOJ-UHFFFAOYSA-N 351.372 4.469 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1ccc(F)cc1 28306366 YGMJUHHMTQZWKG-UHFFFAOYSA-N 359.788 4.234 0 40 FIAB Cc1noc2ncc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)cc12 30939277 JWEURLPNGVNYEP-UHFFFAOYSA-N 373.368 4.003 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3ccnn3Cc3ccccc3)on2)cc1 32833388 PASHIMDXYOPZDO-UHFFFAOYSA-N 358.401 4.147 0 40 FIAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1sc2ccccc2c1Cl 32966942 LXIKTAMMNGQVAB-GFCCVEGCSA-N 373.861 4.467 0 40 FIAB CC(=O)N(CCn1nc(C)cc1C)c1nc2c(C)c(Cl)ccc2s1 35597614 UDNPWFYAFZLOQT-UHFFFAOYSA-N 362.886 4.125 0 40 FIAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 38500698 KQGGILFPISGDBQ-GOEBONIOSA-N 373.472 4.355 0 40 FIAB CCCN(Cc1ccc(C)cc1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 40043328 ASXQELXEZKELHP-UHFFFAOYSA-N 358.526 4.018 0 40 FIAB C[C@H](NC(=O)c1cccc2ncccc12)c1cccc(Br)c1 40069413 UAXYAKQJLSMZDV-LBPRGKRZSA-N 355.235 4.488 0 40 FIAB CCC[C@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1 40119415 CBFLVCKEYZBHLU-FQEVSTJZSA-N 363.461 4.270 0 40 FIAB CC(C)c1ccc(NC(=S)NCc2nc(-c3ccccc3)no2)cc1 44103710 PUANRBVKMTZQLD-UHFFFAOYSA-N 352.463 4.347 0 40 FIAB C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)c1ccc(-c2ccccc2)cc1 47469762 QLFBHQQBARZJPL-QGZVFWFLSA-N 363.505 4.341 0 40 FIAB Cc1ccc(-c2nnc(CCC(=O)N(C)[C@@H](C)c3cccs3)o2)cc1 53315296 SIFICGIZBUMWBF-AWEZNQCLSA-N 355.463 4.259 0 40 FIAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C3CCCCC3)ccc21 62581613 WDZCHTKGRKQNQY-UHFFFAOYSA-N 355.482 4.029 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnc3ccccc3c2)cc1 72219576 NVTHHAHAOXZIKP-HXUWFJFHSA-N 352.459 4.069 0 40 FIAB O=C(C1CCC1)N1C[C@@H]2CCCCN(Cc3c(F)cccc3Cl)[C@@H]2C1 72330633 VRWPRDODBBXEHC-HNAYVOBHSA-N 364.892 4.092 0 40 FIAB Cc1cccc(-c2cncc([C@H]3CCCN(C(=O)Cc4ccccc4)C3)n2)c1 72359443 GWZGEZTYNMKFPU-NRFANRHFSA-N 371.484 4.401 0 40 FIAB CCn1ccc(-c2cc(NCc3ccccc3OC(C)C)nc(C)n2)n1 72373341 PAZPUTGSMRNLPS-UHFFFAOYSA-N 351.454 4.068 0 40 FIAB Cc1nn(C(=O)Cc2ccccc2Cl)c2c1nnc1ccc(Cl)cc12 95101116 AJHUGPZOMGMAPA-UHFFFAOYSA-N 371.227 4.478 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)Cc1csc(-c3cccnc3)n1)C2 102221986 LUBRVSZRAJCORM-NBQZKYEYSA-N 355.507 4.079 0 40 FIAB CN(C(=O)C1(c2ccc(Br)cc2)CCCC1)c1nccs1 106100963 WEJMMSPUBDIWBS-UHFFFAOYSA-N 365.296 4.380 0 40 FIAB CCc1ccc(OCC(=O)NCCSCc2ccccc2Cl)cc1 218953562 NMHRFEZOCHDJEN-UHFFFAOYSA-N 363.910 4.331 0 40 FIAB CCOC(=O)c1cc(NC(=O)COc2cccc(Cl)c2)ccc1Cl 222769917 GUSWHEXQOMJEEF-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)COc1cccc(C)c1C)CC(C)(C)O2 222821916 QZULBAPCEJKTQO-SFHVURJKSA-N 369.461 4.109 0 40 FIAB COC(=O)c1cc(NC(=O)c2ccc(OC)c(Cl)c2)ccc1Cl 223241404 ISOAOUCWEIFGSI-UHFFFAOYSA-N 354.189 4.041 0 40 FIAB COc1cc(CNC(=O)Cc2ccc(Cl)cc2F)ccc1OC(C)C 224097952 ZNXNYCAPGKDGJQ-UHFFFAOYSA-N 365.832 4.134 0 40 FIAB CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(F)cc1 224915125 HFAMYEKBOCOPPQ-UHFFFAOYSA-N 367.751 4.323 0 40 FIAB CO[C@](C)(C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1)C1CC1 225644655 QMDOHFNVBHNKGH-JTSKRJEESA-N 374.525 4.084 0 40 FIAB COc1cc(C)c(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(C)C 225668758 FHHZIZJNSMRXAC-UHFFFAOYSA-N 354.450 4.081 0 40 FIAB Nc1nc2c(Br)cc(NC(=O)/C=C/c3ccccc3)cc2s1 226314236 DGQLXYBEPWZSII-VOTSOKGWSA-N 374.263 4.293 0 40 FIAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257271781 MZTHRTDXEDBWSK-LJQANCHMSA-N 365.408 4.167 0 40 FIAB COCCNC(=S)c1ccccc1OCc1ccc(Cl)cc1Cl 408571693 CNKTXRQBESMZJH-UHFFFAOYSA-N 370.301 4.484 0 40 FIAB COCCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409236479 GYQBSYKFLGDCNT-QGOAFFKASA-N 370.474 4.167 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)N1CCc2ccccc2C1 605497562 KSXUHUJBOZKOLQ-GOSISDBHSA-N 371.484 4.058 0 40 FIAB CCN(Cc1cscn1)[C@H]1CCOC2(CCN(c3ccccc3)CC2)C1 643913063 QVMMSGYPAJNZOS-FQEVSTJZSA-N 371.550 4.183 0 40 FIAB CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cccnc2)n1 812435 PZFJRHGARJKFMZ-UHFFFAOYSA-N 374.400 4.268 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 942424 LNZURQZKTMTXBQ-UHFFFAOYSA-N 354.431 4.226 0 40 FIAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1C 1459938 CKVVUSIMXHHHHF-KRWDZBQOSA-N 366.461 4.082 0 40 FIAB Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1F 2209302 QJQBPOLABIZKHF-UHFFFAOYSA-N 351.377 4.086 0 40 FIAB Cc1cc(C(F)(F)F)nc(SCc2nc(-c3ccc(F)cc3)no2)n1 2741192 CEJVZJIRHAEGBC-UHFFFAOYSA-N 370.331 4.285 0 40 FIAB CCC(CC)NC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 3293563 XNUCGQIFNFGLFK-UHFFFAOYSA-N 364.540 4.295 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)Cc1ccc(Cl)cc1Cl 3307746 INXLXGWZVZKNQB-UHFFFAOYSA-N 367.228 4.491 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 3370857 PKXVWAXMIDCHLL-LLVKDONJSA-N 352.217 4.028 0 40 FIAB CC(C)NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3500934 JNOSAILLRUZZOV-UHFFFAOYSA-N 355.438 4.053 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1 3555928 MWVMYJAWZGSYPA-CYBMUJFWSA-N 361.825 4.149 0 40 FIAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 4074104 CJAOKHQEBDVGKO-POKAKQESSA-N 354.490 4.330 0 40 FIAB biogenic Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1 5374082 AONPQXIHCLYLAF-UHFFFAOYSA-N 350.462 4.491 0 40 FIAB CC(=O)c1ccc(OC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 5576223 MQIWLYVTYZEHSZ-UHFFFAOYSA-N 374.392 4.105 0 40 FIAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5980758 GGVADCUIDRURJP-UHFFFAOYSA-N 371.742 4.463 0 40 FIAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(C2CCCCC2)o1 6374187 HSCYOOQGGALEQM-LBPRGKRZSA-N 361.467 4.245 0 40 FIAB COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)c3ccccc3)o2)c1 7735610 BRTHLCAYCGCHGC-LBPRGKRZSA-N 370.430 4.117 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Br)cc2C)cc1F 8028964 VLELQNMSQBKURL-UHFFFAOYSA-N 352.203 4.086 0 40 FIAB CC(C)c1ccc(-c2noc(CSc3nnnn3C3CCCC3)n2)cc1 8544786 AADYRUQHRKFUDZ-UHFFFAOYSA-N 370.482 4.254 0 40 FIAB C[C@]1(c2cccc3ccccc23)NC(=O)N(C/C=C/c2ccccc2)C1=O 8850729 QCRDGWIDJCKGRJ-OXHGWOFKSA-N 356.425 4.320 0 40 FIAB Cc1cccc(-c2nnc(SCC(=O)c3cc(C)sc3C)n2C)c1 9536080 LGGRHGSAMGPMLI-UHFFFAOYSA-N 357.504 4.444 0 40 FIAB CC(C)[C@H](NC(=O)COC(=O)c1ccc(F)cc1Cl)c1cccs1 10550839 HLRMFFHRWKJODE-INIZCTEOSA-N 369.845 4.211 0 40 FIAB C[C@@H](CC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 11534089 HQOLQPKOJIIXBA-INIZCTEOSA-N 362.429 4.342 0 40 FIAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 11709484 SWYDDYPSNCSNJI-JKSUJKDBSA-N 353.462 4.219 0 40 FIAB Cc1ccc(NC(=O)CN2CCc3cc(-c4csc(C)n4)ccc32)cc1 12587757 IRXGBSGKKRFYHZ-UHFFFAOYSA-N 363.486 4.428 0 40 FIAB CCn1c(SCc2cn3c(C)cccc3n2)nnc1-c1cccs1 12633906 ROPMJWCZSYPOGK-UHFFFAOYSA-N 355.492 4.275 0 40 FIAB CCOc1ccc(C(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 13006781 DJRIEMXDQQDKRQ-IBGZPJMESA-N 355.434 4.080 0 40 FIAB Fc1ccc(OCc2cc([C@H]3CCN(CCc4ccccc4)C3)n[nH]2)cc1 19738942 ZDXTVHJFVBLJGJ-SFHVURJKSA-N 365.452 4.160 0 40 FIAB CCn1c(C)nnc1SCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 20034228 KPOFULFQYMIQSB-UHFFFAOYSA-N 357.483 4.246 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1C 20108986 GYCFXBKPMQMNRR-HNNXBMFYSA-N 355.434 4.311 0 40 FIAB O=c1[nH]c(N2CCCC2)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12 20799888 PDJSWJCQKWRYMG-UHFFFAOYSA-N 368.440 4.252 0 40 FIAB COc1ccc2cc(CN(C)CC(=O)Nc3cc(C(C)C)no3)ccc2c1 22239323 GAMACDMZNXSQHA-UHFFFAOYSA-N 367.449 4.030 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(N2CCCC2)nc1 22391790 OLCYMARCVCWJSE-UHFFFAOYSA-N 366.852 4.444 0 40 FIAB CCn1nnc2cc(C(=O)N(Cc3ccc(C(C)C)cc3)C3CC3)ccc21 23845685 OAABFODOZFSJGQ-UHFFFAOYSA-N 362.477 4.379 0 40 FIAB Cc1noc2ncc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc12 24584977 TZDBPZNORVAOIM-HNNXBMFYSA-N 364.430 4.118 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc(F)c2)cs1 25322502 OCHXVHFJUHEXRC-NSHDSACASA-N 360.385 4.494 0 40 FIAB COc1ccc2nc(C)c(C(=O)N(C)[C@H](C)c3ccccc3OC)cc2c1 25330803 OMTWAUWSFZKCMP-OAHLLOKOSA-N 364.445 4.394 0 40 FIAB CN(C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCc2ccccc21 29258721 AVZBPZPHQAPKBP-PKOBYXMFSA-N 372.509 4.170 0 40 FIAB Cc1c([C@@H](C)NC(=O)N[C@H](C)c2ccccc2)cnn1-c1ccc(F)cc1 29327953 GKDSPSSYZGSAOP-HUUCEWRRSA-N 366.440 4.441 0 40 FIAB C[C@H]1[C@@H](c2ccc(F)cc2)c2cc3c(cc2O[C@@H]1N1CCCC1)OCO3 31860861 WTOYXTZDCYEBQM-ZEWGMFERSA-N 355.409 4.137 0 40 FIAB O=C(Nc1cccc(Oc2ncccn2)c1)c1cccc(Br)c1 32027816 TZUARMJRIBHITR-UHFFFAOYSA-N 370.206 4.284 0 40 FIAB CCOc1ccc([C@@H](NC(=O)c2ccc(C)nc2)C(C)C)cc1OCC 32899053 FOZPHXJCWHFSOX-FQEVSTJZSA-N 356.466 4.315 0 40 FIAB C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1SCC(F)(F)F 32907914 RLTFJSLANVBSLQ-CHWSQXEVSA-N 360.445 4.448 0 40 FIAB O=C(OCc1noc(-c2ccsc2)n1)c1cc2c(s1)CCCCC2 39554024 VXSZHSAFIDVMHR-UHFFFAOYSA-N 360.460 4.486 0 40 FIAB CC(C)[C@H](N[C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 42340560 NPVOLPQSGGFECB-GUYCJALGSA-N 350.915 4.393 0 40 FIAB Cc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)n[nH]2)cc1 44839093 NYAYWFAEMZWAOT-UHFFFAOYSA-N 359.351 4.334 0 40 FIAB COc1cc(CNC(=O)c2ccc(F)cc2F)ccc1OC1CCCC1 48281730 HKTWXIBEFUMQHM-UHFFFAOYSA-N 361.388 4.225 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H]1c1ccc(O)cc1 48303404 MLMKUDQBWLVSIX-IBGZPJMESA-N 364.470 4.422 0 40 FIAB CC(=O)Nc1ccc2c(CN3CCC[C@H]3c3ccsc3)cc(=O)oc2c1 52803359 GGVOSUGYHRPDKS-SFHVURJKSA-N 368.458 4.150 0 40 FIAB COC(=O)c1cc(Nc2ccc(N(C)C)cc2)c2cc(Cl)ccc2n1 56984576 BJTNDYQHLRGWEF-UHFFFAOYSA-N 355.825 4.484 0 40 FIAB CC1CCC(C)(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)CC1 58179192 QNQGJLCKZCMPQV-UHFFFAOYSA-N 351.874 4.129 0 40 FIAB O=C(c1cnc2ccc(F)cc2c1NCc1cccnc1)N1CCCCC1 67288526 CIQJUOYQCCEKCD-UHFFFAOYSA-N 364.424 4.007 0 40 FIAB CN(CCOc1ccc(O)cc1)Cc1cc(-c2ccc(Cl)cc2)no1 72289474 CEAZTWRNJZOSAE-UHFFFAOYSA-N 358.825 4.211 0 40 FIAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccccn3)N1CC2 72342213 XDKQIQFOFMJEQJ-DHIUTWEWSA-N 373.456 4.171 0 40 FIAB Cn1cc(CN2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cn1 72349952 DYOIHNICOKYEGD-KRWDZBQOSA-N 350.441 4.001 0 40 FIAB Cc1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccn2)ccc1Cl 72414525 PFYOWAWWVAFZMY-UHFFFAOYSA-N 372.877 4.439 0 40 FIAB C[C@H](NC(=O)CCc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 75359576 SHGRHVHFMUGWPL-ZDUSSCGKSA-N 355.825 4.200 0 40 FIAB C[C@H](NC(=O)c1ccc(Cl)cc1F)[C@H]1CCN(Cc2ccccc2)C1 95466108 JKSWQEKCGQVFMO-HOCLYGCPSA-N 360.860 4.120 0 40 FIAB CCc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)cc2)cc1 224124943 BJLNSNZSZWQFPU-UHFFFAOYSA-N 352.478 4.048 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(C)ccc3OC)o2)c1 224847489 IKMBCOFRSXJACX-UHFFFAOYSA-N 366.417 4.239 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)c3ccc4c(c3)CCCC4)ccc21 225128081 CAXNWXYOFHJYSD-UHFFFAOYSA-N 352.459 4.214 0 40 FIAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 225332898 ZLFBIXFZTNRZSR-HNNXBMFYSA-N 359.297 4.037 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(C)cc2)c1 225388756 XSEWKDNTOIBVOB-UHFFFAOYSA-N 356.491 4.091 0 40 FIAB CCOC(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Cl 225438104 LAUXREMBKNGJAB-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(F)cc2)c1 225473118 AYTAUHATUCSAQH-JTQLQIEISA-N 366.845 4.313 0 40 FIAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1OC 225576063 UQKZGFZYQPDMEL-OAHLLOKOSA-N 372.490 4.293 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)N[C@H](C)CC 225722055 WHPXRPWVSYAPRP-MLGOLLRUSA-N 373.324 4.425 0 40 FIAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(Cl)cc1Cl 225744898 QHYOLROWDFOFPX-UHFFFAOYSA-N 361.228 4.255 0 40 FIAB CCOC(=O)c1cn2cc(-c3ccc(Br)cc3)sc2n1 228966788 YDQCEIGKMGHTES-UHFFFAOYSA-N 351.225 4.002 0 40 FIAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(C2CCCC2)C1 257200096 ABYQQQSEZURJBS-CQSZACIVSA-N 357.523 4.120 0 40 FIAB COCCC(=O)N[C@@]1(C)C[C@H](C2CCCCC2)O[C@@H]2C[C@H](C)CC[C@H]21 257293261 QOTFOSAIRAIPGJ-IOESTIDPSA-N 351.531 4.072 0 40 FIAB CC(C)c1cc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc(O)n1 273606708 UHYPCLHBNUODCD-HKUYNNGSSA-N 372.440 4.042 0 40 FIAB CCN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 409067174 BTQITJZXGNIHKI-GZTJUZNOSA-N 357.406 4.461 0 40 FIAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N(CC(F)F)CC1CCC1 534946435 SHUOYLHINLWLKV-UHFFFAOYSA-N 359.800 4.009 0 40 FIAB Cc1noc(C)c1COc1ccc(CN(Cc2ccccn2)C2CC2)cc1 585084616 PRVOAWQROYZPJG-UHFFFAOYSA-N 363.461 4.430 0 40 FIAB COc1cccc([C@H]2C[C@H](O)CN2C(=O)c2coc3cc(C)c(C)cc23)c1 669740947 FCOJURHDTTWJED-OXJNMPFZSA-N 365.429 4.006 0 40 FIAB O=C(c1ccccc1Nc1ccccc1)N1CCC2(CCOCC2)CC1 671914040 DDEWYEUTILVFHD-UHFFFAOYSA-N 350.462 4.463 0 40 FIAB C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 1625192627 OLRVFNWUGKZXGN-GOSISDBHSA-N 354.837 4.442 0 40 FIAB Cc1nnc([C@H]2CCCN(Cc3ccc(F)c(C(F)(F)F)c3)[C@H]2C)o1 1775959463 ZMWFORYGOQNJLD-GWCFXTLKSA-N 357.351 4.304 0 40 FIAB COc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1OC 682869 OHRXJNRNFDPNNE-UHFFFAOYSA-N 360.460 4.044 0 40 FIAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccccn1 818914 NJIRWXIZMUSUJI-UHFFFAOYSA-N 374.469 4.210 0 40 FIAB Cc1cc2cc3c(cc2nc1SCC(=O)N1[C@@H](C)CCC[C@H]1C)OCO3 930002 CNZRPSKZVOKQJC-OKILXGFUSA-N 372.490 4.154 0 40 FIAB Clc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)cc1Cl 982035 KOVOZBLXLKAJRV-UHFFFAOYSA-N 357.204 4.026 0 40 FIAB Cc1ccc(C2=NN(C(=O)CN3CCCC3)[C@H](c3ccc(C)cc3)C2)cc1 1016845 KSRBQPSDKBLUCK-QFIPXVFZSA-N 361.489 4.077 0 40 FIAB CC(=O)Oc1ccc2occ(C(=O)c3ccc(Br)s3)c2c1 1103307 KQOAOFPIPLIWKN-UHFFFAOYSA-N 365.204 4.413 0 40 FIAB CCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2CC)cc1 1892720 WJHWQVVASYWHDU-UHFFFAOYSA-N 356.491 4.122 0 40 FIAB CCOc1ccc([C@H]2C[C@H](c3ccccc3Cl)Nc3nc(N)nn32)cc1 2472245 SNSCUFPKABAIEX-IAGOWNOFSA-N 369.856 4.059 0 40 FIAB CN(Cc1ccc(Cl)cc1Cl)C[C@H](O)COCc1cccs1 2630955 UQZYMTXFQCSEBR-AWEZNQCLSA-N 360.306 4.064 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1 2633511 RCYYLPAWTZWBJX-UHFFFAOYSA-N 358.652 4.385 0 40 FIAB CCC(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl 2721514 RJILKCQHGMQDER-UHFFFAOYSA-N 373.859 4.336 0 40 FIAB COC(=O)c1ccc(CNC(=O)c2cccc(Oc3ccccc3)c2)cc1 3243500 NQLAUNPLSWLWEE-UHFFFAOYSA-N 361.397 4.196 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)C1(c2ccc(Cl)cc2)CCC1 3402929 SYCXWNGDGWLWEJ-UHFFFAOYSA-N 370.880 4.237 0 40 FIAB C[C@@]12CC[C@H]3c4cc(Br)c(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O 3902445 SORISAYAZBCIQH-PMABOYOESA-N 351.284 4.372 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4504993 PWVCWYOKBWHQDQ-MRXNPFEDSA-N 365.216 4.134 0 40 FIAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1 5171616 ZQUUPDAECNFHBY-QGZVFWFLSA-N 368.440 4.425 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2c1C 6113505 BQVVIDAPSMWHQD-SUNKGSAMSA-N 363.552 4.341 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 6332925 PWZQYJKLAKFJBS-UHFFFAOYSA-N 354.740 4.152 0 40 FIAB CC(=O)COC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1 6552582 WFGWBDRWVVBYQL-UHFFFAOYSA-N 357.456 4.213 0 40 FIAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(C)cc2)cc1 6630398 GFIKCAUFPCLPNA-UHFFFAOYSA-N 374.440 4.414 0 40 FIAB C[C@@H]1CSC(N(C(=O)c2cn3ccccc3n2)c2ccc(Cl)cc2)=N1 6650491 PGJTYLVVPXSASC-GFCCVEGCSA-N 370.865 4.126 0 40 FIAB COc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1 7652424 IWYNUZXMOVTKAS-SFHVURJKSA-N 374.868 4.132 0 40 FIAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc2c(c1)OCCO2 7723920 RQUZBMMGNVHVMX-UHFFFAOYSA-N 374.368 4.112 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)s1 7987328 KDXLADDNBHKSPG-OAHLLOKOSA-N 367.474 4.083 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)NCCSc1ccccc1 8062645 CGBIJJRYTRJOCZ-UHFFFAOYSA-N 356.274 4.281 0 40 FIAB Cc1nnc(SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)s1 9146173 GUCSCFCOTXOXPD-NSHDSACASA-N 359.303 4.483 0 40 FIAB CC[C@H](Sc1nnc(-c2ccco2)n1CC)C(=O)Nc1ccc(F)cc1 9479298 DHNCPSFNCSNPAD-HNNXBMFYSA-N 374.441 4.207 0 40 FIAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 9908554 KROXZXZRVKRTFT-UHFFFAOYSA-N 360.413 4.042 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C)c(-n2cccc2)c1 10192892 RWFHOOGQGQHNQH-UHFFFAOYSA-N 363.417 4.005 0 40 FIAB COc1cc(OC)c(NC(=O)Cn2c(C)cc3ccccc32)cc1Cl 11603904 ZXBABSKSBOVVIR-UHFFFAOYSA-N 358.825 4.259 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(OC)c1 11615566 MKVZCQCWPCGXAW-UHFFFAOYSA-N 369.442 4.172 0 40 FIAB COc1cccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)c1 12559154 PZLXFKIFPLCHNZ-INIZCTEOSA-N 353.466 4.125 0 40 FIAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc2ccccc2c1 12654995 AQTSVLXTYAYLAW-UHFFFAOYSA-N 363.804 4.473 0 40 FIAB C[C@H]1C[C@H]1C(=O)Nc1ncc(Cc2ccccc2Br)s1 13004178 WRKLXTVYYYBVTO-JOYOIKCWSA-N 351.269 4.091 0 40 FIAB COc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)cc1 13154341 NIXANVSFKYDSKY-BYNSBNAKSA-N 354.277 4.490 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)SCc1ccccc1 13667835 JOTUTFJSLSKWIR-KRWDZBQOSA-N 357.519 4.456 0 40 FIAB CSc1ccccc1NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 14244223 RIYMVWGULAKQJH-GOSISDBHSA-N 352.459 4.311 0 40 FIAB CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1C 15668057 SVKLTMISEVRRFB-UHFFFAOYSA-N 359.882 4.500 0 40 FIAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCCC2=O)cc1 16470112 VWUWTZRTCURMCH-UHFFFAOYSA-N 362.351 4.013 0 40 FIAB COc1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(Cl)cc4)c3[nH]2)cc1 18222722 WHNQWOYWLATTDK-UHFFFAOYSA-N 365.820 4.327 0 40 FIAB C[C@H](NC(=O)CC1CCN(C2CCCCC2)CC1)c1nc2ccccc2[nH]1 19748802 LIHJSICVRKNADX-INIZCTEOSA-N 368.525 4.175 0 40 FIAB Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 19931579 CMTHDTCUGUEYLB-UHFFFAOYSA-N 372.468 4.415 0 40 FIAB O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(Cl)cc1 20029862 FBRKFZHUXQXEHC-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)c1sc(-c2cccnc2)nc1C 20030098 QMFWQXBAZGEKAD-LBPRGKRZSA-N 353.447 4.013 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@H]1CCC[C@H](C(F)(F)F)C1 24758443 XCXJFVCCGAHJOR-ONGXEEELSA-N 353.743 4.095 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)Nc1c(-c2ccccc2)nc2sccn12 25739618 LKXJKQFSLGACMN-AWEZNQCLSA-N 363.442 4.469 0 40 FIAB CCOc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 27222478 CLLNOMBKVSVWEX-JOCHJYFZSA-N 361.489 4.497 0 40 FIAB O=c1[nH]c(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)nc2ccccc12 32777444 IWNQBCAJFFAHKU-UHFFFAOYSA-N 373.378 4.107 0 40 FIAB O=C(Nc1nnc(C2CCCCC2)s1)[C@H](c1ccccc1)N1CCCC1 35322735 LNQAQJXDHZKKNW-KRWDZBQOSA-N 370.522 4.361 0 40 FIAB CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC[C@H](C)C3)c(O)n2n1 36104740 BXKQESUUVXUDLL-WMLDXEAASA-N 370.522 4.189 0 40 FIAB CCOc1ncccc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 38144637 LXRQNZPHJBCZRS-UHFFFAOYSA-N 364.430 4.109 0 40 FIAB COCCOc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cc1 40095828 XMKGYOFSEFTSJR-UHFFFAOYSA-N 369.248 4.340 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccnc1N1CCCC1 40114422 ZEESVZIYPFPDBY-UHFFFAOYSA-N 358.445 4.305 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)N(Cc1cccs1)C[C@@H]1CCCO1 43389711 ZNSMNVOWPWCFIE-SFHVURJKSA-N 356.491 4.450 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](C)c1cccc(Cl)c1 43669084 YMVSXBBJHRPRPI-NSHDSACASA-N 361.829 4.190 0 40 FIAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(Cc2ccc(F)cc2)C1 44932971 CABHMTIXRDPSCZ-UGKGYDQZSA-N 366.480 4.232 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)cc1Cl 51354006 WHVLLBJLMAVCJZ-UHFFFAOYSA-N 356.180 4.236 0 40 FIAB Cc1cc(N2CCC(NC(=O)C3CC3)CC2)nc2c(C(C)C)cccc12 51878898 PYIPISZZKHSFFW-UHFFFAOYSA-N 351.494 4.162 0 40 FIAB O=C(NC1CC1)[C@@H](NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 57541939 MIMMOSWOHZGSQW-KRWDZBQOSA-N 367.251 4.242 0 40 FIAB O=C([C@@H]1Cc2ccccc2S1)N(CCc1ccccc1)Cc1ccncc1 58277467 AOTIDWMECRNGAG-QFIPXVFZSA-N 374.509 4.370 0 40 FIAB Cc1ccc([C@H](CNC(=O)CCc2cccc(Cl)c2)N2CCCC2)o1 60355156 JZXFJSWHKCCIRB-SFHVURJKSA-N 360.885 4.127 0 40 FIAB Cc1cnc(C(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cn1 64902354 IIUGOUZQZVRAAN-UHFFFAOYSA-N 362.477 4.418 0 40 FIAB Cc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 65477677 VMQRBMPIIVSEOZ-QGZVFWFLSA-N 357.841 4.283 0 40 FIAB CC(C)(C)c1cc(C[C@@H]2C[C@H](NC(=O)c3cccc(F)c3)C2(C)C)no1 67889808 OXQNOQISICLFKW-PBHICJAKSA-N 358.457 4.498 0 40 FIAB biogenic,in-vitro N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227544 UFEYVZRYSCCQAN-ZIAGYGMSSA-N 374.284 4.139 0 40 FIAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 72357796 CYXUPDOUIWYHQB-NRFANRHFSA-N 361.420 4.184 0 40 FIAB COc1ccccc1Oc1cncc([C@H]2CCCN2Cc2ccccn2)n1 72383652 IZCLDPWFIDIBSY-GOSISDBHSA-N 362.433 4.010 0 40 FIAB O=C(NC[C@H]1COc2ccccc2C1)C1(c2ccc(F)cc2)CCCCC1 84579466 YOMHRPXQNSTDSW-KRWDZBQOSA-N 367.464 4.395 0 40 FIAB CO[C@@H](C)c1nc(C)c(C(=O)NCc2ccccc2N2CCCCC2)s1 95465941 YTNVJECLQFIILG-HNNXBMFYSA-N 373.522 4.079 0 40 FIAB COc1cccc(/C=C\c2ncc(/C=C/C(=O)O)s2)c1OC(F)F 96035426 DVWSQYUNRUFTKS-CGXWXWIYSA-N 353.346 4.021 0 40 FIAB O=C(NCCc1nc(-c2cccs2)c[nH]1)c1cc(Cl)ccc1Cl 96119242 KZJRRAGPQIHOBG-UHFFFAOYSA-N 366.273 4.418 0 40 FIAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)n1 100738811 BWDCMXPAUYUYCB-MAEOIBBWSA-N 366.509 4.283 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1cccc(Cl)c1 222676587 CLYIUOHCAAHRRU-QGZVFWFLSA-N 359.853 4.310 0 40 FIAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cc(F)ccc1F 222968460 LDTGZRZKIGYFBN-UHFFFAOYSA-N 361.779 4.008 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCCN(C)c1ccccc1 222975441 ULGFPFFWPWYJOQ-HXUWFJFHSA-N 354.494 4.104 0 40 FIAB Cc1ccc(OCCNC(=O)CSCc2cccc(Cl)c2)c(C)c1 223405156 HAJNMUHTHNTBMO-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CC[C@H](NC(=O)[C@H](C)Oc1cccc(OC)c1)c1ccc(OC)c(C)c1 223769257 PZAZDWBZLCJTNM-KXBFYZLASA-N 357.450 4.047 0 40 FIAB COc1ccc(OCCNC(=O)c2cc3c(ccc4ccccc43)o2)cc1 224020334 AJYVZHKSYGDGDX-UHFFFAOYSA-N 361.397 4.403 0 40 FIAB Cc1ccc(OCCNC(=O)CCCOc2ccc(Cl)cc2)c(C)c1 224145622 JBSLWHYBBPOWAR-UHFFFAOYSA-N 361.869 4.311 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1Cl 224440265 VKMXTAXDDRJWPE-HNNXBMFYSA-N 368.260 4.346 0 40 FIAB O=C(CSCc1ccc(Cl)cc1F)NCCOc1ccc(F)cc1 225191110 ROQHUPWMCMAUJQ-UHFFFAOYSA-N 371.836 4.047 0 40 FIAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](C)CC)n2)cc1 225199195 XVRHBLJAOKQUMN-GFCCVEGCSA-N 359.499 4.012 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)N[C@H](C)CC 225310863 QRIZAFBHCCUTMU-NEPJUHHUSA-N 359.297 4.035 0 40 FIAB COc1ccc(OC[C@H](C)NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225654144 IHDIVTNVOBIKQH-INIZCTEOSA-N 371.477 4.333 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(C(F)(F)F)cc2)C1 225728964 WVUZWHNHIWSNSU-OKILXGFUSA-N 373.488 4.360 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2nnc(SCC(C)C)s2)c1 225788520 QKTZDAQRXURQMF-CYBMUJFWSA-N 365.524 4.309 0 40 FIAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccco2)c(Cl)c1 226285422 ZGUVJDNREBYYBD-UHFFFAOYSA-N 360.719 4.101 0 40 FIAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@](C)(CO)O2 245236565 UJHGQFKKYLHYKM-VDVHGLHUSA-N 366.542 4.291 0 40 FIAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)C(C)(C)C 408628615 VIJARUDSHMYEFC-UHFFFAOYSA-N 368.462 4.057 0 40 FIAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCC(C)C)=N1 408989425 KRVROVOWIKHFDC-AWEZNQCLSA-N 372.321 4.142 0 40 FIAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1 575617020 MIQKXHDOGJOLAZ-CQSZACIVSA-N 371.843 4.153 0 40 FIAB Clc1cccc(COc2cncc(N3CC[C@@H](c4cccnc4)C3)n2)c1 581188310 NJYGEVLOPFZUNF-QGZVFWFLSA-N 366.852 4.098 0 40 FIAB O=C(Nc1cc(F)cc(OC(F)F)c1)c1cccc(Nc2ncccn2)c1 1650625262 BAJBAYGVNRQGNE-UHFFFAOYSA-N 374.322 4.213 0 40 FIAB COC(=O)c1cc(Br)ccc1OCc1cccc(Cl)c1 2037873340 BNLSXYLEIAXZCU-UHFFFAOYSA-N 355.615 4.468 0 40 FIAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc2cccnc12 1100859 IQFVJSQJXGGKKA-UHFFFAOYSA-N 352.337 4.054 0 40 FIAB C[C@@H]1CCCCN1C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 1329296 MNOVGYVKZPQQDX-CQSZACIVSA-N 366.490 4.118 0 40 FIAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)[C@@H](C(C)(C)C)CO2 1392430 OOXXKVVBPSCJHO-GOSISDBHSA-N 363.454 4.137 0 40 FIAB CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 2409768 PVQYPCJBBDFZAA-IRXDYDNUSA-N 367.840 4.036 0 40 FIAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1C 2705768 ROHLWGCFOYZBAO-UHFFFAOYSA-N 374.366 4.464 0 40 FIAB COc1ccccc1NC(=O)CSc1nccn1-c1cc(C)cc(C)c1 2723110 UQSAGXBZHVHVIJ-UHFFFAOYSA-N 367.474 4.229 0 40 FIAB O=c1c2cc(Cl)ccc2[nH]c(=S)n1CCc1c[nH]c2ccccc12 3043413 GOPMUSWHIVWLTR-UHFFFAOYSA-N 355.850 4.436 0 40 FIAB biogenic CCC[C@@H](C)NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3576023 WLGXIRVHTCZGQF-CYBMUJFWSA-N 364.540 4.295 0 40 FIAB CSc1nc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2s1 4079263 QHIKWCLZHKOPRU-UHFFFAOYSA-N 368.439 4.377 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C2C3CC4CC(C3)CC2C4)c(C)c1 4134565 VJQINVIEUVQMCT-ZZRKNQPCSA-N 361.551 4.351 0 40 FIAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)NC1CCCCCC1 4140006 ANOVCFUQCBDBSJ-UHFFFAOYSA-N 366.383 4.225 0 40 FIAB CCOc1ccc(-n2c(/C=C/c3ccccn3)nc3ccccc3c2=O)cc1 4450426 QUOVDNJWMVGPNJ-XNTDXEJSSA-N 369.424 4.350 0 40 FIAB CCN(CC)c1ccc(NC(=O)CNCc2ccccc2Cl)c(C)c1 4895380 DMQIHHQTVDZROH-UHFFFAOYSA-N 359.901 4.223 0 40 FIAB COc1ccccc1C(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 5124246 DARYAIZVDMFIBS-OAHLLOKOSA-N 373.667 4.233 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c(C)c1 5269363 PPIPLOXVXOXGMM-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CCOc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)ccc1O 5489116 GOHXLDGPFWQCKK-UHFFFAOYSA-N 370.474 4.415 0 40 FIAB CCCn1c(C)cc(C(=O)CSc2nnc(C)n2-c2ccccc2)c1C 6109521 LXSHGQLQMIPMOV-UHFFFAOYSA-N 368.506 4.379 0 40 FIAB CCN1C/C(=C\c2ccccc2OC)c2nc3ccccc3c(C(=O)O)c2C1 6496953 JJEVRMKTRKEQHK-FOWTUZBSSA-N 374.440 4.318 0 40 FIAB O=[P@@]1(N2CCOCC2)OC(c2ccccc2)=CCN1c1ccccc1 6574904 GCDFPGGZUBAPTM-VWLOTQADSA-N 356.362 4.005 0 40 FIAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 6795390 DKUCGEIGNIIYAO-QLFDAEIZSA-N 353.915 4.223 0 40 FIAB CSc1ncccc1C(=O)Nc1ccc(Br)cc1Cl 7062031 FJXNFMFBGFOLDB-UHFFFAOYSA-N 357.660 4.472 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)c1ncc(Cl)c(Cl)c1Cl 7215769 JAJGAICENLDJST-JTQLQIEISA-N 357.624 4.295 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccccc1F 8216460 ZOIGYXGSZBHHOR-QFIPXVFZSA-N 373.431 4.161 0 40 FIAB CN(Cc1ccc(Br)s1)C(=O)c1cc2c(s1)CCC2 8387688 ABHIROCODPVHDS-UHFFFAOYSA-N 356.310 4.333 0 40 FIAB Cc1cc(C)n(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)n1 8703942 QUGHRWTYWPXZFG-UHFFFAOYSA-N 374.444 4.128 0 40 FIAB CN(Cc1nc(-c2cccs2)no1)Cc1ccccc1N1CCCCC1 8706894 MHXKXEHYNRVOMY-UHFFFAOYSA-N 368.506 4.420 0 40 FIAB O=c1c2sccc2ncn1CCOC(c1ccccc1)c1ccccc1 9113234 IPNLLQSDTNOFNI-UHFFFAOYSA-N 362.454 4.264 0 40 FIAB Sc1nnc(Cc2ccc(Cl)cc2)n1-c1cccc2ncccc12 9423553 QSUOFEABOMLFCE-UHFFFAOYSA-N 352.850 4.348 0 40 FIAB CCOc1ccc(NC(=S)N2CCN(c3cc(C)ccc3C)CC2)cc1 9877086 GKBWLCANEPBKNJ-UHFFFAOYSA-N 369.534 4.221 0 40 FIAB Cc1cc(C)c(NC(=O)CSc2nnc(NC(C)C)s2)c(C)c1 9922126 QZDSNRLRTZEKDV-UHFFFAOYSA-N 350.513 4.014 0 40 FIAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 10370163 ZJKDVDBXGLNSEZ-UHFFFAOYSA-N 364.489 4.446 0 40 FIAB Cc1ccc(-c2noc(COC(=O)COc3ccc4ccccc4c3)n2)cc1 10592008 ZUTWWQGVPOEGDW-UHFFFAOYSA-N 374.396 4.320 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)OCc1nc2ccccc2o1 11123885 DUKCJBCUEDXDNI-UHFFFAOYSA-N 351.387 4.012 0 40 FIAB Cc1cccc2cc3c(nc12)OCC(=O)N(Cc1ccccc1Cl)C3 12113101 WKSAWGFXIMEGSO-UHFFFAOYSA-N 352.821 4.118 0 40 FIAB O=C(NC1CC1)[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccc(F)cc1 12479526 KEPAOIKETKIMFH-OAHLLOKOSA-N 370.371 4.352 0 40 FIAB Cn1ccnc1[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(F)cc1 12574429 XSKYQLQINFPTBM-INIZCTEOSA-N 358.804 4.124 0 40 FIAB COc1ccc([C@H](CNC(=O)c2ccc(C)cc2C)N2CCCCC2)cc1 12754903 KHWFNFNEJQLIDV-QFIPXVFZSA-N 366.505 4.269 0 40 FIAB COc1cccc(NC(=O)CSc2ccc(Br)cc2C)c1 12799199 AICCWYVVDDZWEX-UHFFFAOYSA-N 366.280 4.497 0 40 FIAB COC(=O)c1ccc(CSc2nnc(C(C)C)n2Cc2ccco2)cc1 12852286 CKXIAKPVCYNQRS-UHFFFAOYSA-N 371.462 4.122 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 12902107 XNZJDNXXPPVQEU-WMZOPIPTSA-N 358.507 4.104 0 40 FIAB Cc1nc(-c2ccc(CNC(=O)c3cccc(OC(F)F)c3)o2)cs1 12923560 NMQXIAMPKBYRMV-UHFFFAOYSA-N 364.373 4.243 0 40 FIAB Cc1ccc(OCCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1C 13018735 GSIYJRUDSRTOTR-UHFFFAOYSA-N 352.438 4.037 0 40 FIAB CCc1ccc(OCCSc2nc(O)cc(=O)n2C2CCCCC2)cc1 13957067 IAWJDAOQRMRMIG-UHFFFAOYSA-N 374.506 4.188 0 40 FIAB CCCc1nnc(NC(=O)c2csc(COc3ccc(C)cc3)n2)s1 14201288 OUJOKCUPLGSTGC-UHFFFAOYSA-N 374.491 4.087 0 40 FIAB COc1ccc([C@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)cc1O 15110000 FMVZCQBDLZNJPX-CYBMUJFWSA-N 367.430 4.075 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(OC)c(OC)c1 15525517 BTUWWBKTICGOSG-IQIBNGDESA-N 357.475 4.315 0 40 FIAB Cc1ccsc1CN(Cc1cccc(Oc2ncccn2)c1)C[C@H](C)O 19238594 GDRAHUQFNOFUEK-INIZCTEOSA-N 369.490 4.022 0 40 FIAB C[C@H](NC(=O)c1ccc(F)c(F)c1F)c1cccc(Br)c1 20029705 ILBMDSLNEGMMME-QMMMGPOBSA-N 358.157 4.357 0 40 FIAB COc1ccc(Nc2ncc3c(n2)C[C@@H](c2cccc(C)c2)CC3=O)cc1 20101548 KJAUSKDCBZBMMS-MRXNPFEDSA-N 359.429 4.450 0 40 FIAB Cc1ccc(CC(=O)Nc2ccc(I)cc2C)cc1 22527411 SYRXDNMLAPUQHZ-UHFFFAOYSA-N 365.214 4.089 0 40 FIAB C[C@@H](CNC(=O)c1ccc(NC(=O)c2ccco2)s1)c1ccccc1 23692095 HFNKCHRTRMJURS-ZDUSSCGKSA-N 354.431 4.127 0 40 FIAB COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27664509 AEAGEPPJKCNHEZ-IBGZPJMESA-N 372.896 4.306 0 40 FIAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)n1cc(Br)cn1 28224412 XGFXUGYTKXNUQX-SSDOTTSWSA-N 363.042 4.152 0 40 FIAB Cc1cccc(NC(=O)CN2CCn3cccc3[C@@H]2c2ccccc2)c1C 30588870 RWDLAEIRRQFZQI-QHCPKHFHSA-N 359.473 4.149 0 40 FIAB O=C(NCc1ccco1)[C@@H]1CCCN1Cc1sc2ccccc2c1Cl 31557985 OWURJHFCNBZVFV-HNNXBMFYSA-N 374.893 4.429 0 40 FIAB O=C(CSC1=N[C@@H]2CCCC[C@@H]2O1)N1c2ccccc2[C@H]2CCCC[C@H]21 32109777 CVBUAWPIJKKUHS-RWQQGDIJSA-N 370.518 4.490 0 40 FIAB Cc1ccc(C(=O)Nc2c(C)nn(COc3cccc(F)c3)c2C)s1 32610187 STFRRPSFODJHIE-UHFFFAOYSA-N 359.426 4.298 0 40 FIAB CCOC(=O)c1c(NC(=O)[C@@H]2Cc3ccccc3S2)sc(C)c1C 32878833 PGQBBUOYZOLGOS-AWEZNQCLSA-N 361.488 4.197 0 40 FIAB Cc1nc2ccc(NC(=O)NC[C@@H](c3ccsc3)N(C)C)cc2s1 40103252 ZKEUYSDXPYJPBP-HNNXBMFYSA-N 360.508 4.091 0 40 FIAB Cc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 44909689 QPOULKAHGSAYMM-NRFANRHFSA-N 368.496 4.095 0 40 FIAB Cc1c(C(=O)NOCc2ccccc2)sc2nc(C(F)(F)F)ccc12 58358099 HPPSTXLURIHFRD-UHFFFAOYSA-N 366.364 4.485 0 40 FIAB CCOc1ccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)cc1 58392697 KTKFGNIVPRIHQW-LLVKDONJSA-N 374.491 4.268 0 40 FIAB C[C@@H]1C[C@H]1c1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889979 MMBKENZBPSCQRV-BXUZGUMPSA-N 363.255 4.052 0 40 FIAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72214325 OQQSAHHPCLSTHC-KRWDZBQOSA-N 367.449 4.406 0 40 FIAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215476 CUVCEERXPWTCPD-GOSISDBHSA-N 373.497 4.449 0 40 FIAB OC1=Nc2c(c(O)nn2C2CCCCCC2)[C@@H](c2ccncc2)SC1 80338119 UFNKDRWIKBKCRY-MRXNPFEDSA-N 358.467 4.303 0 40 FIAB CCOC(=O)[C@@]1(C(F)(F)F)N=C(C(F)(F)F)Nc2cc(C)c(C)cc21 84460063 JTHPEOLIMNPVGT-ZDUSSCGKSA-N 368.277 4.010 0 40 FIAB CCCOc1ccccc1NC(=O)CCC(=O)N[C@@H](C)c1ccccc1 89960343 SREUIVIOBCUCKR-INIZCTEOSA-N 354.450 4.072 0 40 FIAB CC(=O)OCCc1cccc(NCc2cnn(-c3ccc(Cl)cc3)c2)c1 95467780 WRAUGCHSJYKMIQ-UHFFFAOYSA-N 369.852 4.243 0 40 FIAB Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H](CCc1ccccc1)c1ccccc1)C2 96003961 SEKNSJVIKBTGTR-LEWJYISDSA-N 373.500 4.313 0 40 FIAB CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCCC2)cc1 101875746 JDKGVCJFZREBDW-UHFFFAOYSA-N 374.444 4.023 0 40 FIAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccnc4ccccc34)C2=C(O)C1 102737888 JALGUQMJMPJZBV-QGZVFWFLSA-N 361.405 4.489 0 40 FIAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c1C 218932306 KKLMXCNYYXZWRR-UHFFFAOYSA-N 369.461 4.487 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 219029187 HXADGQVQRJGSKP-ZWKOTPCHSA-N 363.457 4.499 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN(C)c1ccccc1 219326525 WMKWSRVRLXNNRH-LJQANCHMSA-N 360.885 4.140 0 40 FIAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)c(OC)c1 219535767 CTTRFVHPGODFFJ-FUHWJXTLSA-N 371.477 4.355 0 40 FIAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223333650 WBIGEZBHWVHVBZ-OALUTQOASA-N 366.490 4.230 0 40 FIAB CCOc1ccccc1N(CC)S(=O)(=O)c1ccc2ccccc2c1 225047498 HWRAGDJWFQGKCI-UHFFFAOYSA-N 355.459 4.454 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)c(C)c1 225064632 BMUOQQVPIFXFTO-UHFFFAOYSA-N 371.433 4.221 0 40 FIAB CC1(C)C[C@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2O1 225577122 QESSTTYFKAXDRK-HNNXBMFYSA-N 370.474 4.047 0 40 FIAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cn1 225874142 VKSMLGSZPIZRDY-UHFFFAOYSA-N 372.440 4.087 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226352568 UHHAZJPLIBEOQT-UHFFFAOYSA-N 366.211 4.392 0 40 FIAB Cc1ccc(C(=O)N2CC[C@]3(Cc4ncc(-c5cccs5)n4C3)C2)s1 306126580 DZGZOEVVFXMBNF-IBGZPJMESA-N 369.515 4.070 0 40 FIAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)c1 408615761 RVDFBOPPYHSBEE-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)CSc2ccc(F)cc2)C1 575615039 AWKGGQVNROLRLZ-INIZCTEOSA-N 369.465 4.050 0 40 FIAB C[C@H](NC(=O)c1cnn(C)c1Cc1ccccc1)c1ccc2c(c1)CCCC2 1536587397 MCPSAYVZXZVZOI-KRWDZBQOSA-N 373.500 4.381 0 40 FIAB Fc1ccccc1CN1CCc2nc3ncc(Br)cc3cc2C1 2298094965 PXOJAFOHHLGLRJ-UHFFFAOYSA-N 372.241 4.090 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)c1C 806765 FCQMYHKZPAVLRV-KRWDZBQOSA-N 366.461 4.082 0 40 FIAB CCOC(=O)c1ccccc1C(=O)c1cccc(CN2CCCCC2)c1 2515000 GNJXYPBHOFXACC-UHFFFAOYSA-N 351.446 4.080 0 40 FIAB c1csc(-c2nnc(COc3ncnc4sc5c(c34)CCCC5)o2)c1 3449933 QKOCVNOCGMOUTI-UHFFFAOYSA-N 370.459 4.261 0 40 FIAB O=S(=O)(Oc1cc(-c2ccccc2)no1)c1ccc(Cl)cc1Cl 4060346 CVHQNCZMEIXYIF-UHFFFAOYSA-N 370.213 4.416 0 40 FIAB CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 4119932 QNVJLGORJJGQAT-UHFFFAOYSA-N 372.465 4.358 0 40 FIAB O=C(c1c(F)cccc1F)N1CCN=C1SCc1cccc(Cl)c1 4120623 UPQZUMUPNWIOSY-UHFFFAOYSA-N 366.820 4.363 0 40 FIAB CCSc1nnc(COc2ccc(OC)cc2)n1-c1ccccc1F 4246832 LZAWBQFMHTWTGM-UHFFFAOYSA-N 359.426 4.106 0 40 FIAB Cc1ccc(C)c(COc2coc(CN3CCc4ccccc43)cc2=O)c1 4304523 ABRVTKJOSZFLFU-UHFFFAOYSA-N 361.441 4.398 0 40 FIAB CSc1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 4505651 NNXJQPIRLCDRLW-UHFFFAOYSA-N 367.470 4.049 0 40 FIAB CC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN12 4601502 HGEUYAVSRURLMM-UHFFFAOYSA-N 352.065 4.156 0 40 FIAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 4835144 USZGXQGCWQVUAT-LBPRGKRZSA-N 358.854 4.040 0 40 FIAB COc1ccc(Cc2nnc3sc(/C=C/c4cccs4)nn23)cc1 5013894 WHNZYOPZCADHKY-CMDGGOBGSA-N 354.460 4.017 0 40 FIAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccccc2)cc1 5482734 GPNVEYYRBJEHRQ-QFIPXVFZSA-N 374.415 4.255 0 40 FIAB COc1ccc(-c2csc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1 5559037 MATNMOGVMVASRR-UHFFFAOYSA-N 370.430 4.088 0 40 FIAB CCCN(CCC)S(=O)(=O)c1cccc(-c2cn3ccc(C)cc3n2)c1 6184591 KXPRDAMQCHRWEZ-UHFFFAOYSA-N 371.506 4.120 0 40 FIAB CC1=Cc2nc3ccccc3n2[C@@]2(C(F)(F)F)OC(c3ccccc3)=NN12 6566932 NHZWGGVORKIIRY-LJQANCHMSA-N 370.334 4.277 0 40 FIAB CCn1c(-c2cccs2)nn(CN(C)Cc2ccc(OC)cc2)c1=S 7076737 OXUMWCDDOXFASK-UHFFFAOYSA-N 374.535 4.261 0 40 FIAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccoc3C)n2C)cc1C 7236390 ONIVOZKIUZYHMN-UHFFFAOYSA-N 355.463 4.284 0 40 FIAB Cc1ccc(Cn2cc(/C=C/C(=O)N3CCC3)c(-c3ccccc3)n2)cc1 8745043 VSCTYWRSDBWITN-OUKQBFOZSA-N 357.457 4.152 0 40 FIAB Cc1sc2ncnc(Sc3nnc(Cc4cccs4)n3C)c2c1C 8754516 LGPWRIBNTMLOGS-UHFFFAOYSA-N 373.532 4.240 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccccc2F)CC1 9063495 PELDPGSKJALJQS-UHFFFAOYSA-N 364.823 4.469 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)Nc1nnc(CCCc2ccccc2)s1 9355809 LBRUTKGZFRQTIE-OAHLLOKOSA-N 367.474 4.119 0 40 FIAB Cc1ccc2oc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(C)c2c1 9970593 DQVQSCWFWCACEB-UHFFFAOYSA-N 350.418 4.139 0 40 FIAB O=C(c1cccc2cccnc12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10545825 AWDUIRFZZPCOTK-INIZCTEOSA-N 356.429 4.131 0 40 FIAB Cc1ccc(-n2ccnc2SCc2nc(N)c3ccccc3n2)c(C)c1 11424808 URQFSJLQEGQUFM-UHFFFAOYSA-N 361.474 4.307 0 40 FIAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4C)c3)cn2n1 11693461 AJOIECJRHJRQIJ-UHFFFAOYSA-N 372.428 4.274 0 40 FIAB Cc1nc(C)c(C(=O)N2CCC(c3cc4ccccc4cn3)CC2)s1 12144036 PNVDOHJKVNKNNC-UHFFFAOYSA-N 351.475 4.328 0 40 FIAB Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](Cc2cccs2)c2nccs2)n1 12225923 SVUMAVLAHFWGEB-ZBFHGGJFSA-N 374.535 4.069 0 40 FIAB COc1ccc(C(C)=O)cc1CN(C)Cc1ccccc1N1CCCC1 12523472 CGFLEQQEJZUNIA-UHFFFAOYSA-N 352.478 4.130 0 40 FIAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(F)cc3F)n2)cc1 12805848 FQFKUQYNCLUJND-UHFFFAOYSA-N 357.360 4.149 0 40 FIAB Cc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 12995169 RNAAMSPWDYPWCM-UHFFFAOYSA-N 363.457 4.234 0 40 FIAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1cccc(C(F)(F)F)c1 13012066 YZPUGWRQWRWXGK-AWEZNQCLSA-N 373.378 4.311 0 40 FIAB C[C@@H](NC(=O)CN(Cc1ccccc1F)C1CC1)c1ccccc1Cl 14247197 BWBTYKCLEQVHSJ-CQSZACIVSA-N 360.860 4.321 0 40 FIAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 14399790 XJFSLTIUFNEKOC-UHFFFAOYSA-N 365.477 4.069 0 40 FIAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c1 15008475 WIMCDTDJWYGGRZ-WOJGMQOQSA-N 369.442 4.249 0 40 FIAB Cc1ccccc1C(=O)NCCC(=O)Nc1ccccc1-c1ccccc1 15583477 SUGKPAVFMSHNKD-UHFFFAOYSA-N 358.441 4.421 0 40 FIAB Cn1nc([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c2cccnc21 19289486 XIFHYEVXMLBKIU-CQSZACIVSA-N 358.848 4.140 0 40 FIAB CC[C@H](NC(=O)c1oc2cc(OC)ccc2c1C)c1c(C)nn(CC)c1C 19500420 ALYZHCXSFOKWHX-KRWDZBQOSA-N 369.465 4.464 0 40 FIAB COc1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 19555052 ODHAEHSXQDKLDC-UHFFFAOYSA-N 355.463 4.186 0 40 FIAB CCCn1nc(C)c(-c2cncn2C[C@H](C)n2nc(C)c(C)c2C)c1C 19654618 CHADROJDJXFNBF-ZDUSSCGKSA-N 354.502 4.156 0 40 FIAB O=C(Nc1nc2c(s1)CCCCC2)c1ccc(OC[C@H]2CCCO2)cc1 22374635 WEVGDUIJFVYPHN-MRXNPFEDSA-N 372.490 4.222 0 40 FIAB CCCCOc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 22766921 QHNLALSXOGEXSG-SFHVURJKSA-N 361.511 4.351 0 40 FIAB Cc1cn2nc(N3CCC(c4nc5ccccc5s4)CC3)sc2n1 26693290 CBVGGPONGTYFRT-UHFFFAOYSA-N 355.492 4.093 0 40 FIAB Cc1sc(NC(=O)c2ccc3[nH]cnc3c2)nc1-c1ccc(F)cc1 29146103 NZKJRTBNQTZXJP-UHFFFAOYSA-N 352.394 4.386 0 40 FIAB NC(=O)Nc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1 30510282 MZQVRUNXZJQIDQ-UHFFFAOYSA-N 355.463 4.464 0 40 FIAB O=C(NCc1ccc(OCc2cccc(F)c2)cc1)c1ccnc(Cl)c1 31312777 INYNOCYWXRCHPA-UHFFFAOYSA-N 370.811 4.383 0 40 FIAB O=C(COc1ccccc1C(F)(F)F)Nc1ccnn1C1CCCC1 31789544 UWBOQIQWZKPVPW-UHFFFAOYSA-N 353.344 4.035 0 40 FIAB CCOc1ccc(CN(C)C(=O)c2cc(C)nc3cc(F)ccc23)cc1 32817797 DDFHAYZQVDVRES-UHFFFAOYSA-N 352.409 4.353 0 40 FIAB c1ccc(CCN(Cc2ccccc2)Cc2nc(-c3ccccn3)no2)cc1 32928724 QTZTYJXHRAPAGQ-UHFFFAOYSA-N 370.456 4.377 0 40 FIAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NC(=O)c3ccccn3)cc2)c1 32933205 BVPIVEXVKBIHST-QGZVFWFLSA-N 373.456 4.442 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccco1 33019730 XHZMCFQOZDAAKH-GFCCVEGCSA-N 355.912 4.463 0 40 FIAB CC(C)Sc1cccc(C(=O)Nc2nnc(-c3ccnn3C(C)C)o2)c1 36701469 ASVBCIOQEUULDP-UHFFFAOYSA-N 371.466 4.267 0 40 FIAB O=C(c1cc(Cl)ccc1F)N(Cc1cccs1)C[C@@H]1CCCO1 39995598 OEVJTECFKLFEBR-ZDUSSCGKSA-N 353.846 4.362 0 40 FIAB C[C@@H]1Oc2ccc(NC(=O)CCCc3ccc(Cl)cc3)cc2NC1=O 40141590 CKCASVHOVRQGSU-LBPRGKRZSA-N 358.825 4.021 0 40 FIAB CN(C(=O)NCc1cn2ccccc2n1)C1CCC(c2ccccc2)CC1 43476225 RTANIRHVWYICHV-UHFFFAOYSA-N 362.477 4.202 0 40 FIAB Cc1nc(Oc2cccnc2Br)c2c3c(sc2n1)CCC3 53584456 QWUSLVSNTPDSMD-UHFFFAOYSA-N 362.252 4.438 0 40 FIAB O=C(NCc1ccccc1C(F)(F)F)c1cc(-c2cccs2)[nH]n1 57413837 ZMICIYBLJNSATD-UHFFFAOYSA-N 351.353 4.087 0 40 FIAB O=C(Nc1nnc(SCc2cccs2)s1)c1ccc(Cl)o1 57747042 PYPYZPJIKXARRN-UHFFFAOYSA-N 357.869 4.391 0 40 FIAB Cc1cc(NC(=O)NCCOc2ccc(Cl)cc2)n(-c2ccccc2)n1 58209067 RJTUBXYGFDNWCF-UHFFFAOYSA-N 370.840 4.035 0 40 FIAB c1ccc2cc(-c3nn4c(CN5CCCCCC5)nnc4s3)ccc2c1 71260600 XYGXTZWCAPDGFI-UHFFFAOYSA-N 363.490 4.382 0 40 FIAB CCCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)c2ccccc12 72414149 MXAYZYMMEMONLR-UHFFFAOYSA-N 371.458 4.438 0 40 FIAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@H]1c1ccc[nH]1 84339147 LIZJVCXRWAXQBR-INIZCTEOSA-N 371.387 4.244 0 40 FIAB CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccc(F)cc1 85397554 HRRYHHRDBAAFES-UHFFFAOYSA-N 372.421 4.287 0 40 FIAB CCCCOc1ccc(NC(=O)NCC[C@@H](O)c2cc(C)oc2C)cc1 85562146 QFWUUAVQSJRLGH-LJQANCHMSA-N 360.454 4.321 0 40 FIAB CCN(CC)CCn1cc(N[C@@H](C)c2cc(Cl)c(N)c(Cl)c2)cn1 95992461 URXYDFFNBHCXHH-LBPRGKRZSA-N 370.328 4.287 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)Cc1coc(-c2cccs2)n1 106011953 JHDLKWKUAFGWQE-QGZVFWFLSA-N 369.490 4.428 0 40 FIAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C 219298430 RQIHXRVDSNWGID-ZWKOTPCHSA-N 355.478 4.469 0 40 FIAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223403485 IDNHJJNIBNNSRW-WOJBJXKFSA-N 362.502 4.076 0 40 FIAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C 224161387 JDHCJCGWSNZIIJ-WOJBJXKFSA-N 362.502 4.214 0 40 FIAB CCOc1ccc(CCC(=O)NC[C@@H](C)c2ccccc2)cc1OCC 224394304 SEVMKQWAMJMZSC-QGZVFWFLSA-N 355.478 4.337 0 40 FIAB CCOc1ccc(C(=O)NC2CC2)cc1COc1cc(C)cc(C)c1C 224606471 UFGAZYSQVJZXBI-UHFFFAOYSA-N 353.462 4.482 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)c(Cl)c1Cl 224619833 GSGDWSGYZUERHM-UHFFFAOYSA-N 374.289 4.444 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)c(I)c1 225009527 IUMLWMDXZUVVHP-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)c1csc2ccccc12 225699359 LTOMTCQXFWDVOV-MRXNPFEDSA-N 360.866 4.088 0 40 FIAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(-c2ccccc2)n[nH]1 225755823 KNWWVQRDMWQQQB-UHFFFAOYSA-N 360.442 4.130 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cnc(Cc2ccccc2)nc1C 225794411 OEEDCHGICVOHNO-UHFFFAOYSA-N 367.836 4.290 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 245266518 JQTHEVSJBRFWGI-RERWJXOESA-N 360.523 4.067 0 40 FIAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN2C(=O)c2cccc(F)c2)nc1 257201711 AISPWVGVZRWCCB-IBGZPJMESA-N 365.408 4.470 0 40 FIAB CC(C)n1nccc1-c1ncccc1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 257202167 AKTFINVGQCUXCF-KRWDZBQOSA-N 368.525 4.353 0 40 FIAB COCCC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257249874 JKCMGEZKENGSMH-BLVIHDEWSA-N 363.473 4.003 0 40 FIAB C[C@@H](NC(=O)NCC1CCOCC1)c1ccccc1Oc1ccccc1 510290218 LVAJWADOOVFHSG-MRXNPFEDSA-N 354.450 4.266 0 40 FIAB CCO[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 529474473 XMDNLVGUOJRCSC-BZUAXINKSA-N 374.308 4.127 0 40 FIAB O=C(O)c1c(F)cc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)cc1F 582073823 QRFLBSPLQXCGCL-ZDUSSCGKSA-N 366.335 4.417 0 40 FIAB c1ccc(Cn2cc(CN3CC[C@]4(CCOC4)C3)c(-c3ccccc3)n2)cc1 678294650 YETIKQFLPQUHDI-DEOSSOPVSA-N 373.500 4.211 0 40 FIAB Cc1nccc(CCC(=O)N[C@H]2CCC(C)(C)C[C@H]2c2ccccc2)n1 1152810541 CAIWYBVTRSAANZ-PMACEKPBSA-N 351.494 4.196 0 40 FIAB COc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1Cl 756742 DCLHPVRPCFHNTR-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB COc1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1 1385878 OSLDAYANRGPHKC-NRFANRHFSA-N 371.440 4.285 0 40 FIAB O=C(Nc1nc2ccccc2n1CCOc1ccc(F)cc1)c1ccco1 1408127 FDBSEDZPYQAXMO-UHFFFAOYSA-N 365.364 4.100 0 40 FIAB O=c1oc(-c2ccc(C[n+]3ccc4ccccc4c3)cc2)nc2ccccc12 1579466 KDQTWQLTVICUNU-UHFFFAOYSA-N 365.412 4.344 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 1781579 IUTMYZJFSSSZQO-UHFFFAOYSA-N 361.825 4.314 0 40 FIAB COc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3C)c2C)cc1Cl 2699050 JYLQOWPFFJWCNX-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB C[C@H](NC(=O)c1ccc(F)cc1Cl)[C@@H](c1cccs1)N1CCCC1 3261392 QWEKCQFTYATLDE-SJCJKPOMSA-N 366.889 4.496 0 40 FIAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1 3372695 XEOFSYVICQNMRH-HNNXBMFYSA-N 359.425 4.399 0 40 FIAB O=C(COc1ccc(Cl)cc1Br)NCC1CCCCC1 3510428 JFFUBWFHIWIEAC-UHFFFAOYSA-N 360.679 4.178 0 40 FIAB O=C(NCCc1ccccc1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 3627986 ZYPHBSNVKPTAEJ-UHFFFAOYSA-N 368.436 4.377 0 40 FIAB CCC[C@H](CN1CCCCC1)[C@H](OC(=O)c1ccc(N)cc1)C(F)(F)F 4707338 RURYPWLSKRBBFD-WBVHZDCISA-N 372.431 4.259 0 40 FIAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCCCCC1 5147269 LXHKDDBZTGNMNC-UHFFFAOYSA-N 357.454 4.147 0 40 FIAB COc1ccc(NC(=O)COc2cccc3ccc(C)nc23)cc1Cl 5198610 PEYRZYHXYJEQDY-UHFFFAOYSA-N 356.809 4.223 0 40 FIAB Cc1cc(-c2csc3ncnc(N4CCN(C)CC4)c23)cc(C)c1C 5697745 AJZGIXINMTXXIY-UHFFFAOYSA-N 352.507 4.035 0 40 FIAB CCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2F)sc(C)c1C 6350305 ODIZMMRMXAYSDC-UHFFFAOYSA-N 354.378 4.464 0 40 FIAB CCOC(=O)c1sc(NC(=O)c2ccc(N(CC)CC)cc2)cc1C 6831324 TXFJGMVZXQCYTG-UHFFFAOYSA-N 360.479 4.332 0 40 FIAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 7928702 VTLUSCDIEHSRNM-IBGZPJMESA-N 357.409 4.312 0 40 FIAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 8475616 CCYCFEMLAAYVEH-UHFFFAOYSA-N 367.836 4.395 0 40 FIAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(C)n1 8714685 UKZSOWWQZUMKAO-UHFFFAOYSA-N 368.886 4.332 0 40 FIAB CC(C)(C)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 9113525 KSWICDWMJYEJRV-UHFFFAOYSA-N 358.488 4.155 0 40 FIAB O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(Br)c1 9170387 WRXHLQGKLIIFMT-UHFFFAOYSA-N 374.263 4.144 0 40 FIAB COc1ccc(Nc2ncc3c(n2)C[C@@H](c2ccc(C)cc2)CC3=O)cc1 9288383 DMYUCCFYLTYAHU-MRXNPFEDSA-N 359.429 4.450 0 40 FIAB CCOc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1 9320649 CCPYSDUPLCETBY-UHFFFAOYSA-N 361.405 4.318 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(C)c(C)c3)S2)c1 9360982 FWHZJNSLJHCGAI-QGZVFWFLSA-N 367.474 4.051 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10322515 RMGBASNEUFMCGU-UHFFFAOYSA-N 360.417 4.177 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(C)c1 10473107 SZEUERYMLBKFBJ-FQEVSTJZSA-N 368.477 4.321 0 40 FIAB COc1ccc(NC(=O)CNc2ccccc2-c2ccccc2)cc1OC 11618713 ADGOHKWKAQGJFZ-UHFFFAOYSA-N 362.429 4.421 0 40 FIAB COC[C@H](C)Nc1ncc(-c2ccsc2)c(-c2nc(C)c(C)s2)n1 12751425 VLUHYSQSXNMXHH-JTQLQIEISA-N 360.508 4.392 0 40 FIAB CCC[C@H](C)NC(=O)c1cc(Br)c(Br)s1 13020497 PXVGGHHZQKNLRU-LURJTMIESA-N 355.095 4.192 0 40 FIAB COc1ccc(OCCCC(=O)NCCSCc2ccc(C)cc2)cc1 14400568 BSUGWSBKMRGMKX-UHFFFAOYSA-N 373.518 4.212 0 40 FIAB CC(C)(C)c1ccc(O)c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 15525490 QMTFIJLTYKALER-KRWDZBQOSA-N 370.474 4.131 0 40 FIAB COc1ccc(C(=O)Nc2nc(-c3cccs3)ns2)cc1Cl 15669653 JGZUZKTVJPNSSP-UHFFFAOYSA-N 351.840 4.181 0 40 FIAB COc1ccc(OC)c(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)c1 16722105 RJBICCXFQVGYRX-DHZHZOJOSA-N 373.478 4.255 0 40 FIAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 16962376 MVZFQXFCTNAYGJ-KRWDZBQOSA-N 361.363 4.332 0 40 FIAB Cc1ccc(CSCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 18702983 KLCBFGJMNUAWRB-UHFFFAOYSA-N 355.488 4.385 0 40 FIAB CCCc1c(C(=O)OCC)nnc2c(-c3cccc4ccccc34)cnn12 19817030 HIPQTNTXFLUFHE-UHFFFAOYSA-N 360.417 4.074 0 40 FIAB Cc1ccc(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c(C)c1 20144044 UZDDFXIAJSAGIG-UHFFFAOYSA-N 351.402 4.073 0 40 FIAB Cc1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cccc1C(=O)O 20144678 WGOYZWPOVKHMSH-JTQLQIEISA-N 368.216 4.406 0 40 FIAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1N1CCOCC1 21595739 HSTUQONCRTYCQA-ACCUITESSA-N 374.440 4.435 0 40 FIAB CCc1ccc(Nc2c(C(=O)N3CCOCC3)cnc3ccccc23)cc1 23118939 SDHKDUHSLNYMPG-UHFFFAOYSA-N 361.445 4.013 0 40 FIAB CN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCCc2ccccc21 24913274 STYRWIXFCODQAI-FQEVSTJZSA-N 358.445 4.370 0 40 FIAB Brc1cc(CN[C@H]2CCCc3ccccc32)cc2c1OCO2 25259676 YCWFQWMLWWSKPO-INIZCTEOSA-N 360.251 4.345 0 40 FIAB COC(=O)c1ccoc1CN1CCc2sccc2[C@H]1c1ccccc1 25679977 CSPSBAJPBGFFJE-LJQANCHMSA-N 353.443 4.275 0 40 FIAB Cc1cccc([C@@H]2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@H]2CO)c1C 26421355 ZYWHAHLJZWOSNE-UCLAIMLFSA-N 365.256 4.333 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nccn2-c2ccccc2)cc1F 27489548 HXDRARHHLNBTBX-CQSZACIVSA-N 355.438 4.439 0 40 FIAB CSc1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 27742655 NIZNWGNFHULVAF-UHFFFAOYSA-N 374.263 4.367 0 40 FIAB CCCCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl 27823868 MUCOWVNYULZJCS-UHFFFAOYSA-N 359.900 4.059 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)c1cccs1 29086603 HDGIEZPNFTUEMN-KSSFIOAISA-N 358.507 4.316 0 40 FIAB Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc12 30922411 FDCQZWANPONHFD-QMMMGPOBSA-N 350.205 4.329 0 40 FIAB Cc1ccccc1-n1nnnc1SCc1ccc(Cl)c2cccnc12 31644857 CRSXFMFGUIQSIE-UHFFFAOYSA-N 367.865 4.465 0 40 FIAB C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccsc3)CC2)c2ccccc21 31780848 GZQUQKVGDLDVFF-HNNXBMFYSA-N 368.502 4.141 0 40 FIAB COc1ccc(OC)c(NC(=O)c2cc(-n3cccc3)ccc2Cl)c1 32091172 JIBOCCKFMSYBFT-UHFFFAOYSA-N 356.809 4.400 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c2ccccc12 32603675 NIONETYQDLVIRV-UHFFFAOYSA-N 357.431 4.048 0 40 FIAB O=C(OCc1ccccc1F)c1csc(COc2ccc(F)cc2)n1 32753130 WGSAJKPYAMFLIN-UHFFFAOYSA-N 361.369 4.357 0 40 FIAB CCC[C@@H](C)NC(=O)CSCc1csc(-c2ccc(F)cc2)n1 32778865 MUBVIEMUMMPRNL-GFCCVEGCSA-N 352.500 4.487 0 40 FIAB CC(=O)Nc1ccc(SC[C@H](O)COc2ccccc2C(C)(C)C)cc1 32888235 RHKGWGNXLXHCTD-QGZVFWFLSA-N 373.518 4.475 0 40 FIAB O=C(NCc1nccs1)c1cc(-c2ccc(F)cc2)nc2ccccc12 32936078 NYOGYZVJOVMKDF-UHFFFAOYSA-N 363.417 4.427 0 40 FIAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cc2c(s1)CCC2 32983419 ZLEUEGQUVNAETK-UHFFFAOYSA-N 373.503 4.401 0 40 FIAB CCc1ccc(NC(=O)CSCc2cc(=O)c3cc(F)ccc3[nH]2)cc1 33064209 AJJAKDASKRIAHD-UHFFFAOYSA-N 370.449 4.102 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 33149245 OCTYKOVLOVYBEN-LJQANCHMSA-N 370.424 4.264 0 40 FIAB O=C(Cc1noc(-c2ccccc2F)n1)Nc1cc(Cl)cc(Cl)c1 34791750 RNRKHZPQTJUHAZ-UHFFFAOYSA-N 366.179 4.364 0 40 FIAB O=c1c(-c2cc(Br)cc3c2OCOC3)coc2ccccc12 38815463 NIIKHEYTZVTJAS-UHFFFAOYSA-N 359.175 4.089 0 40 FIAB biogenic Cc1noc(CSc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)n1 40042971 UTPCIRDQEORQBW-ZDUSSCGKSA-N 365.458 4.262 0 40 FIAB C[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1cccnc1 40049906 QVPFVYIEOXHYCD-ZDUSSCGKSA-N 355.488 4.321 0 40 FIAB COc1ccc(-c2cc(CSCC(=O)N(C)c3ccccc3)on2)cc1 40067248 FHTHOLPFPXRDMN-UHFFFAOYSA-N 368.458 4.246 0 40 FIAB Cn1ccnc1COc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)cc1 40154674 SQTUKRURAKGGCB-GOSISDBHSA-N 367.474 4.038 0 40 FIAB [O-][n+]1ccccc1Oc1ncnc2cc(-c3ccc(Cl)cc3)sc12 46230358 VKEHMXSZJFYWBN-UHFFFAOYSA-N 355.806 4.437 0 40 FIAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(Cc1ccccn1)C3 54313353 GTYPQOWTPWCOFD-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB biogenic Cc1cccc(N(C)C(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 57525470 LOHZMEMWQXUEFD-UHFFFAOYSA-N 352.217 4.122 0 40 FIAB COc1cccc(CNCC(=O)N(C2CCCCC2)C2CCCCC2)c1 58373173 BZRUQBKTLYNFFN-UHFFFAOYSA-N 358.526 4.279 0 40 FIAB CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1cccc(F)c1 58377758 GUAOCXLMSDVUJK-UHFFFAOYSA-N 357.406 4.443 0 40 FIAB Cc1nc(-c2cccc(F)c2)sc1C(=O)Nc1nnc(C(C)C)s1 61719979 NKMFMOFFEPXWMB-UHFFFAOYSA-N 362.455 4.485 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 65489242 CGMHGQFQHLMZQQ-MSOLQXFVSA-N 365.864 4.254 0 40 FIAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 67293188 XCADTYUKYMMOHE-GYHWCHFESA-N 371.396 4.327 0 40 FIAB O=C(/C=C/c1ccsc1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635489 WHYIMGHEENLUCZ-FKVZDPJESA-N 367.392 4.380 0 40 FIAB CC(=O)Nc1nc(C(=O)N(Cc2ccccc2)[C@H]2CCCC2(C)C)cs1 75105477 LQSRWGZVPFDCOC-KRWDZBQOSA-N 371.506 4.323 0 40 FIAB CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)ncn2)CC1 75166339 WYNUCMRLCBZZAV-UHFFFAOYSA-N 365.264 4.272 0 40 FIAB Clc1ccc([C@H]2CN(Cc3cc(Cl)c4c(c3)OCO4)CCO2)cc1 84393657 YFHULUGOGMUBAW-QGZVFWFLSA-N 366.244 4.296 0 40 FIAB COCc1nc(C(=O)Nc2cccc(C3SCCS3)c2)cs1 95955640 ASCKYXNARDIUQH-UHFFFAOYSA-N 352.506 4.020 0 40 FIAB Fc1cccc(F)c1-c1csc(CSc2nc(C3CC3)n[nH]2)n1 96010405 JDWUAKSLBGTKFQ-UHFFFAOYSA-N 350.419 4.376 0 40 FIAB COC1CCN(c2ccc(NC(=O)CSCc3ccccc3)cc2)CC1 96104465 SBEWUPUPSCZVSO-UHFFFAOYSA-N 370.518 4.174 0 40 FIAB Cc1cccc2s/c(=N/C(=O)c3ccc(Br)s3)n(C)c12 100878770 YLXASSUNHZJUEO-JQIJEIRASA-N 367.293 4.113 0 40 FIAB O[C@@H]1c2cc3ccccc3nc2SC2=NC(c3ccc(Cl)cc3)=N[C@@H]21 103642235 RZOWQNVKVVXICL-HZPDHXFCSA-N 365.845 4.255 0 40 FIAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 103718827 JXFACFJZIPJIAO-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB Brc1cccc(-c2nc3cc(CN4CCOCC4)ccc3o2)c1 216840366 HLDBDTWRHJZACD-UHFFFAOYSA-N 373.250 4.090 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC(C)(C)C 223494185 RMBKAHPNAHTUAE-OAHLLOKOSA-N 373.324 4.425 0 40 FIAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2C)c1 224230176 FTWOUBKBMXDXBP-UXHICEINSA-N 362.502 4.214 0 40 FIAB O=C(NCCNc1ccnc2cc(Cl)ccc12)C1(c2ccccc2)CC1 225989011 LKZABELCTUFEAI-UHFFFAOYSA-N 365.864 4.148 0 40 FIAB Nc1nc2c(Cl)cc(NC(=O)COc3ccccc3Cl)cc2s1 226312167 DYKDTEFNANIJJK-UHFFFAOYSA-N 368.245 4.203 0 40 FIAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccccc1Br 226366345 MMACRIWFKJZNHW-UHFFFAOYSA-N 358.191 4.099 0 40 FIAB Fc1ccccc1-c1noc(-c2cncnc2N[C@H]2CCc3ccccc32)n1 252489687 JWVNYWAZWVTGGC-SFHVURJKSA-N 373.391 4.432 0 40 FIAB CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cc(F)cc(F)c2)n1 257313459 USNUBCSUYMEGPR-LJQANCHMSA-N 373.447 4.053 0 40 FIAB O=C(c1cccnc1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257328877 XHLJUCZMHYIECE-GOSISDBHSA-N 367.836 4.291 0 40 FIAB Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1C 408674499 ZURGIHJFDLFYRU-OAHLLOKOSA-N 357.837 4.224 0 40 FIAB CCOC(=O)COc1ccc(-c2nc3ccccc3s2)cc1OCC 409191972 RKMPUZFEYZHBSG-UHFFFAOYSA-N 357.431 4.304 0 40 FIAB Cn1cc(CNC[C@H]2SCCc3ccccc32)c(-c2cccs2)n1 538755614 FAXNMADJNNJZKG-GOSISDBHSA-N 355.532 4.269 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)N1CC2(CCC2)[C@@H]1c1ccccc1 567445870 DBJPZXLZLICIKV-IBGZPJMESA-N 359.433 4.026 0 40 FIAB O=C1CC[C@]2(CCCN(CC3CCCCC3)CC2)N1Cc1cncs1 585100114 FYVNSVAEULKGSH-FQEVSTJZSA-N 361.555 4.071 0 40 FIAB CC(C)COc1cccc(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 1652476440 OAYKZTCLRLMMOP-OAQYLSRUSA-N 370.468 4.098 0 40 FIAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1c(F)cccc1F 1889046111 IDZUUZBPELEPJA-INIZCTEOSA-N 359.397 4.157 0 40 FIAB CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 596712 FLTBEMVEAFMWDD-UHFFFAOYSA-N 352.865 4.278 0 40 FIAB investigational Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 782911 BMKQZCQSMUCDCG-GOSISDBHSA-N 370.452 4.238 0 40 FIAB Cc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 825020 BABMNLOOZAYTFM-LTGZKZEYSA-N 362.473 4.215 0 40 FIAB Cc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 852708 MLJBOPMJMWOBPU-BWWMBTDCSA-N 365.432 4.392 0 40 FIAB biogenic CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1102649 WECWJLNBRXGNJZ-SFHVURJKSA-N 364.445 4.004 0 40 FIAB CCOC(=O)c1cccc(NC(=O)CCCOc2ccc(C)cc2C)c1 1913939 HPEXADPKUAGUDJ-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB CCCCc1ccc(N2C[C@H](C(=O)Nc3ccccc3F)CC2=O)cc1 2192145 RBLMBFRNNNVHAA-MRXNPFEDSA-N 354.425 4.160 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 2630250 SUELQDKVSZRNDT-UHFFFAOYSA-N 360.413 4.476 0 40 FIAB O=C(c1ccccc1)c1ccccc1NC(=O)c1cc2ccccc2oc1=O 2708330 BNYZQHGUBYHCNF-UHFFFAOYSA-N 369.376 4.276 0 40 FIAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2F)c1C 2723055 IEZMOIWFTUAXNZ-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB O=C(CCCCC(=O)OCc1ccc(F)cc1)OCc1ccc(F)cc1 3287791 MQZPFBRJNSRLMQ-UHFFFAOYSA-N 362.372 4.312 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1 3455697 FURBBIAPEBJAPI-UHFFFAOYSA-N 353.296 4.014 0 40 FIAB CCCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C 4000022 ASKNKPKFBOQOEP-YAOQVBECSA-N 362.473 4.113 0 40 FIAB biogenic O=C(CCN1CCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 4278774 SXFUOLBXSOHECL-SFHVURJKSA-N 371.868 4.097 0 40 FIAB CCOc1ccccc1NC(=O)CCCc1nc(-c2ccccc2)no1 4433203 DQMRMQZEIZHGLM-UHFFFAOYSA-N 351.406 4.097 0 40 FIAB COc1ccc(OCCOC(=O)Cc2coc3cc(C)c(C)cc23)cc1 4493471 YJVHISCBBHLRRT-UHFFFAOYSA-N 354.402 4.223 0 40 FIAB CC[C@H](C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2)c1ccccc1 4505625 HFZVBWRCIYWQOS-SFHVURJKSA-N 363.457 4.207 0 40 FIAB Cc1cc2nc(N(CCN(C)C)C(=O)Cc3ccccc3)sc2cc1C 4586166 IKLNFUWMKRTZEL-UHFFFAOYSA-N 367.518 4.050 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)c1 4676082 NXABHEBOBMFRQC-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 4684708 BYHQZRPYOFQYHS-GOSISDBHSA-N 351.381 4.027 0 40 FIAB Cc1cc2n(n1)[C@@H](c1cc(=O)n3c4c(cccc14)CCC3)Nc1ccccc1-2 4707195 FFGMLWWNEHCOAG-QHCPKHFHSA-N 368.440 4.092 0 40 FIAB Cc1ccc(NC(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)cc1 4965476 DMEKAQKYOYATCP-UHFFFAOYSA-N 365.477 4.494 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)CCC4)n2)cc1 5178428 KQZLFGPDCMILCH-UHFFFAOYSA-N 363.486 4.498 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3C)n2)cc1 5180429 YAYYHHIAAIYMEL-UHFFFAOYSA-N 366.490 4.382 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 5477647 AXDYQPIPXMBLLP-UHFFFAOYSA-N 366.490 4.138 0 40 FIAB O=C(Cc1ccccc1)Nc1ccc2c(c1)ncn2CCc1ccccc1 5483831 HBZPUUWISGAKBI-UHFFFAOYSA-N 355.441 4.460 0 40 FIAB Cc1csc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)n1 6582809 OBTJKDBZXALIPC-UHFFFAOYSA-N 367.805 4.250 0 40 FIAB CSCC[C@H](NC(=O)CCc1cccs1)c1nc2ccccc2[nH]1 6657827 WDJPEKJHQJZQAK-INIZCTEOSA-N 359.520 4.168 0 40 FIAB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1 7400773 ZLGUYSZJNMDWST-UHFFFAOYSA-N 360.885 4.001 0 40 FIAB COc1ccc(OC)c(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c1 7643302 SOZPDCUDSBKKJP-UHFFFAOYSA-N 368.458 4.317 0 40 FIAB Cc1noc(C)c1CSc1nnc(COc2ccccc2Cl)o1 7777003 SVVUGIOWYOKJDR-UHFFFAOYSA-N 351.815 4.199 0 40 FIAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1C(C)C 7904769 MBXLQMKJIYGUSW-UHFFFAOYSA-N 358.511 4.465 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2C)C1 7928104 LMXWUGYQTFVIAI-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB O=C1Nc2ccccc2/C1=C\c1ccc(OCC(=O)c2ccccc2)cc1 7985651 NPNOBOYOQXJTRB-XSFVSMFZSA-N 355.393 4.441 0 40 FIAB Cc1nnc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)s1 8270134 KDMWRSLRXWTIHL-UHFFFAOYSA-N 371.447 4.152 0 40 FIAB COc1ccc(NC(=O)c2ccc(COC(=O)C[C@@H]3C=CCC3)cc2)cc1 8395652 LOXMHDCNWIBLFD-MRXNPFEDSA-N 365.429 4.347 0 40 FIAB Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2Cc2ccco2)c1 8749663 HTPJIPIIATYUQB-UHFFFAOYSA-N 370.478 4.082 0 40 FIAB C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1Br 9445951 JMYVUCPKMAKXBE-NSHDSACASA-N 372.218 4.047 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(NC(C)(C)C)s1 9446373 ZMXRXZPTZJZDNE-LBPRGKRZSA-N 364.540 4.485 0 40 FIAB CC(=O)c1ccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)cc1 10827255 YHXVXPLMMDMHTQ-OAQYLSRUSA-N 364.470 4.268 0 40 FIAB COc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nn1 11694514 QJIQOWAJXSCFMH-UHFFFAOYSA-N 354.797 4.450 0 40 FIAB CC(C)(C)c1ncc(C(=O)N2CCc3[nH]c4c(Cl)cccc4c3C2)cn1 12325662 ZSJOSQSQOOKYOL-UHFFFAOYSA-N 368.868 4.107 0 40 FIAB O=C(NCCc1cn2ccccc2n1)c1ccccc1Oc1ccccc1 12549541 RUCKRWDGAKQCQQ-UHFFFAOYSA-N 357.413 4.099 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccc(C(N)=O)cc2)c2ccccc2)c1 12607689 PCCFMEHGQOQLHE-NRFANRHFSA-N 373.456 4.194 0 40 FIAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc3c(c2)CCC3)no1 12765113 FLCJLLHWTWPUAF-UHFFFAOYSA-N 365.458 4.411 0 40 FIAB Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3ccccc3F)o2)c1C 12978928 SDWNQWRLVRUROI-UHFFFAOYSA-N 366.392 4.071 0 40 FIAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(Cl)cc1Cl 13040573 MJDUIUHTOSKJRD-NSHDSACASA-N 362.260 4.423 0 40 FIAB COc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1 15006002 CRWVJLDSKKRZAK-UHFFFAOYSA-N 362.381 4.154 0 40 FIAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(C(=O)OC)cc1 15517465 GFYGSOFHNOAZEP-RCMYXZNBSA-N 355.459 4.084 0 40 FIAB Cc1cc(Br)ccc1SCC(=O)N1CCc2ccccc21 15563601 NMMVSVKKHVIULY-UHFFFAOYSA-N 362.292 4.439 0 40 FIAB Cc1nc2ccc(NC(=O)CCn3nc(C(F)(F)F)cc3C)cc2s1 19119298 FSHWUMQVHZQRMQ-UHFFFAOYSA-N 368.384 4.157 0 40 FIAB COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1NC(C)=O 26616315 NYXVIXIXACQSJN-UHFFFAOYSA-N 351.406 4.004 0 40 FIAB CCc1ccc(OCC(=O)NCCc2csc(-c3ccccc3)n2)cc1 27992527 BOTJSPKENCMAHT-UHFFFAOYSA-N 366.486 4.110 0 40 FIAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cccc(F)c1 28305966 JUTLBUXIVWZPQV-UHFFFAOYSA-N 363.314 4.342 0 40 FIAB Cc1cc(C)n(-c2ccc(CSc3nnc(NC4CC4)s3)cc2)n1 30571102 ZLCMINIJEXDQRE-UHFFFAOYSA-N 357.508 4.207 0 40 FIAB COc1ccc2cc(CN(C)C(=O)NCc3ccccc3OC)ccc2c1 30991264 WYACBJDZCXCEMP-UHFFFAOYSA-N 364.445 4.199 0 40 FIAB COc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)cc1 32652533 PBHHUZWNKUEEPQ-SFHVURJKSA-N 368.521 4.203 0 40 FIAB CC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)Cc1ccco1 32664861 ISZFKXCVKKDZJA-UHFFFAOYSA-N 362.429 4.123 0 40 FIAB Cc1ccc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)nc1 36391536 KNHCVHPTVIOTFN-UHFFFAOYSA-N 358.239 4.123 0 40 FIAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1c1nnc2ccccn12 48355821 IBBWNQCQGGHJJG-SFHVURJKSA-N 359.433 4.030 0 40 FIAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)[nH]n1 51315974 ICNNREDOLORSCO-UHFFFAOYSA-N 351.353 4.087 0 40 FIAB Cc1noc(C)c1CCC(=O)Nc1ccc(CN2CCCC[C@@H]2C)cc1 53720472 DYYALFZUCZNFRQ-HNNXBMFYSA-N 355.482 4.237 0 40 FIAB CC(=O)c1c(C)cc(C)c(CNc2ccccc2N2CCC(O)CC2)c1C 55887918 XNZZXZNHCMVDBF-UHFFFAOYSA-N 366.505 4.388 0 40 FIAB Cc1ccc(NC(=O)N(Cc2cccc(O)c2)C2CCC(O)CC2)cc1 58190651 GZRTXGQGGKUPER-UHFFFAOYSA-N 354.450 4.038 0 40 FIAB NC(=O)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)cc1 58395090 MSDQBJUXAHZPAF-QGZVFWFLSA-N 370.861 4.020 0 40 FIAB CC1CCN([C@@H](C)CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 60156259 VMEDIUXAECSOTF-CVEARBPZSA-N 370.459 4.436 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 65489245 CGMHGQFQHLMZQQ-ZWKOTPCHSA-N 365.864 4.254 0 40 FIAB O=C(CCN1CC[C@H](c2ccccc2)C1)Nc1ccccc1Br 69520062 DNWHQQLKHRXCFU-INIZCTEOSA-N 373.294 4.267 0 40 FIAB Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(C)cc4)[nH]n3)n2)cc1 72265251 WDWGIFWAVWQROL-UHFFFAOYSA-N 371.444 4.191 0 40 FIAB COc1ccc(CCC(=O)NCC[C@H](O)c2cccc3ccccc23)cc1 77116847 GMSKBUAFFTXKPE-QFIPXVFZSA-N 363.457 4.021 0 40 FIAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc2N1 78403951 MGZLZYWZADHIQB-SECBINFHSA-N 357.262 4.151 0 40 FIAB Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(F)cc1)SCC(O)=N2 79476856 LGKPURFXFUVWOS-QGZVFWFLSA-N 354.410 4.139 0 40 FIAB CC(C)c1c(C(=O)NCC2CCCCCCC2)cnn1-c1ccccn1 84622413 DJUZOWYEACFWRJ-UHFFFAOYSA-N 354.498 4.481 0 40 FIAB CC(C)c1cc(C(=O)N[C@H](C)CC(=O)c2ccco2)c2ccccc2n1 84622437 ODVROWTULUBDSU-CQSZACIVSA-N 350.418 4.343 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 97165277 MCWYNIBCVQTIQU-GOSISDBHSA-N 371.868 4.097 0 40 FIAB O=C(OCc1csc(-c2ccccc2)n1)C1C[C@H]2CCC[C@H](C1)C2=O 103138028 DZJKLYFSTKNSLK-HUUCEWRRSA-N 355.459 4.249 0 40 FIAB COC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 216891950 VTZMMNVERCJILT-VOTSOKGWSA-N 350.773 4.253 0 40 FIAB COc1ccc(CCCNC(=O)CCSCc2ccccc2)cc1OC 218997851 QCYIKJGVOUSQKS-UHFFFAOYSA-N 373.518 4.076 0 40 FIAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)COc1ccccc1C 219330333 HDIAODPMFBHMDC-UYAOXDASSA-N 355.478 4.353 0 40 FIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c1 222551579 JXTXGLRGLQGTBY-MRXNPFEDSA-N 353.462 4.048 0 40 FIAB O=C(CCc1ccccc1F)Nc1ccccc1C(=O)NC1CCCCC1 222718357 BZMOXTNXVDKILT-UHFFFAOYSA-N 368.452 4.460 0 40 FIAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224794901 ZDLGIGPIKMUPSW-UHFFFAOYSA-N 363.479 4.042 0 40 FIAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3OC)o2)cc1 224858739 RRCDGRYBTJZVNL-UHFFFAOYSA-N 366.417 4.320 0 40 FIAB Cc1ccc(NC(=S)Nc2ccccc2C(=O)NCc2ccco2)cc1 225453540 SGFLWYLUJYUMAF-UHFFFAOYSA-N 365.458 4.327 0 40 FIAB Cc1cccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 225667766 XQWADBILYUJQMF-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(O[C@H]2CCSC2)nc1 225713565 ZQRWTFZERKRKEL-LBPRGKRZSA-N 368.380 4.237 0 40 FIAB Cc1ccccc1-c1noc(CCC(=O)N[C@@H](C)CCc2ccccc2)n1 225816942 FTWUMCFQNOOXCH-KRWDZBQOSA-N 363.461 4.115 0 40 FIAB CCc1ccc(C(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 408629093 ZDRHNKPEIFXWHT-YMXMSLLWSA-N 370.562 4.458 0 40 FIAB Cc1ccc(-n2nc(C)c(/C=C3\N=C(c4ccccc4)OC3=O)c2C)cc1 408992655 SSWCIYRZKZLEHT-MOSHPQCFSA-N 357.413 4.142 0 40 FIAB CCn1c(COc2ccccc2F)nnc1SCc1ccc(F)cc1 409385862 NNJFPWMCMVQQMI-UHFFFAOYSA-N 361.417 4.448 0 40 FIAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H]4C[C@@H]43)nn2-c2ccccc2)cc1 672121196 BDXBGXSAFQNOIW-UTKZUKDTSA-N 373.456 4.172 0 40 FIAB CC1(C)C[C@@H]2CN(C(=O)c3ccccc3)CC[C@@H]2N1c1ccc(F)cc1 1615156863 KFRWMUZDOQULSI-XLIONFOSSA-N 352.453 4.345 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977651 JHCQGZLBNYLACF-SFHVURJKSA-N 371.889 4.461 0 40 FIAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC 630368 BZFQUANUHVYVNF-UHFFFAOYSA-N 352.386 4.192 0 40 FIAB biogenic O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2oc1=O 845974 NWMUZISNUGGWQD-UHFFFAOYSA-N 350.157 4.058 0 40 FIAB CCOC(=O)[C@H](CC)Sc1nnc(-c2ccccc2)n1-c1ccccc1 860556 MPOUVDRDVZVZKA-KRWDZBQOSA-N 367.474 4.368 0 40 FIAB O=C(c1c[nH]c2ccccc2c1=O)N(Cc1ccccc1)Cc1ccccc1 976532 XBEAXEHFZLGHEG-UHFFFAOYSA-N 368.436 4.371 0 40 FIAB Cc1ccc(-c2cc(C(=O)NC3=NCCS3)c3ccccc3n2)s1 2086536 KMQLWFLQBJHXSK-UHFFFAOYSA-N 353.472 4.104 0 40 FIAB CCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 2324532 HZSPWUKSJBDTLN-KHMHUBCMSA-N 362.473 4.113 0 40 FIAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccncc1 2394986 LFBJVJVYOQFYBP-UHFFFAOYSA-N 350.369 4.188 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(-c2ccccc2)noc1C 2642213 GVRGOONJGSYBJM-UHFFFAOYSA-N 374.396 4.479 0 40 FIAB O=C(NCc1ccccn1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3175718 QXPCCDYHDYHOOF-UHFFFAOYSA-N 372.403 4.003 0 40 FIAB O=C1CSC2=NC(c3ccc(OC(F)F)cc3)=C[C@H](c3ccccc3)N12 3192725 ZMLKSIZDOQEJHC-MRXNPFEDSA-N 372.396 4.315 0 40 FIAB O=C(COC(=O)c1sc2ccccc2c1Cl)NC1CCCCC1 3229206 BHQGONKTIPMFKI-UHFFFAOYSA-N 351.855 4.160 0 40 FIAB aggregator COc1ccc2c(c1)CCc1ccc3c(c1-2)c(=O)n(-c1ccccc1)n3C 3843035 MFCSDKVMGODWHC-UHFFFAOYSA-N 356.425 4.103 0 40 FIAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 3881621 IQCNQJXIOWBNAT-KIYFCUGLSA-N 374.521 4.201 0 40 FIAB biogenic CCCSc1nnc(NC(=O)c2ccc(OCC)c(OCC)c2)s1 4087880 RFGZGSAGOZUSLH-UHFFFAOYSA-N 367.496 4.090 0 40 FIAB O=C(O)[C@@H]1CS[C@@H](c2cccc(OCc3cccc4ccccc34)c2)N1 4476013 BICVXOSZHYYWLZ-PMACEKPBSA-N 365.454 4.207 0 40 FIAB CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 4569290 VNQDZLNPSSQAHX-UHFFFAOYSA-N 364.489 4.121 0 40 FIAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C(C)(C)C)cc1 4834182 PJKCXPYIZMJNQY-UHFFFAOYSA-N 371.433 4.040 0 40 FIAB C[C@]12C[C@H](NC(=O)N1c1ccc(F)c(F)c1)c1cc(Cl)ccc1O2 4852775 CIIOONITOBHYGF-YOEHRIQHSA-N 350.752 4.388 0 40 FIAB CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccco1 4861114 JFXCGCKFCAQZCC-UHFFFAOYSA-N 370.478 4.296 0 40 FIAB CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(F)cc32)cc1 5444502 STUQMOYWNPFEOX-UHFFFAOYSA-N 360.392 4.053 0 40 FIAB O=C(COC(=O)Cc1cccs1)Nc1ccccc1-c1ccccc1 5786346 ZKCFONIHDOMHOZ-UHFFFAOYSA-N 351.427 4.140 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl 6120597 DTAJRZGRDDWZAG-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 6175509 JLFUMUSLSTVAQP-ZDUSSCGKSA-N 351.277 4.303 0 40 FIAB COc1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 6661322 PNRABRMRXFUDCT-UHFFFAOYSA-N 362.414 4.014 0 40 FIAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C1CCCCC1 6668330 XJEOJIBIORUTDJ-UHFFFAOYSA-N 364.902 4.247 0 40 FIAB Cc1ccc([C@H](OC[C@H](O)CN2CCCC[C@@H]2C)c2ccccc2)cc1 7002918 XZUPZSNPYHGUPL-WWPVKYPJSA-N 353.506 4.336 0 40 FIAB CCOC(=O)c1c(COc2ccc3c(c2)OCO3)nc2ccccc2c1C 7262706 LDBYXMJDNVREAL-UHFFFAOYSA-N 365.385 4.028 0 40 FIAB COc1cc(CNCCCN(C)C)cc(Cl)c1OCc1cccs1 7539914 PEHMQBFCXYUCQT-UHFFFAOYSA-N 368.930 4.030 0 40 FIAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(N2CCCC2=O)cc1 7641129 OUKXPUVUDXYJHD-UHFFFAOYSA-N 374.893 4.339 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc1 8041613 HWKXOEQSGBKMQG-HNNXBMFYSA-N 363.910 4.465 0 40 FIAB O=c1[nH]c(SCc2ccccc2Cl)nc2c1cnn2-c1ccccc1 8670399 RHNVWQCXSUERBS-UHFFFAOYSA-N 368.849 4.055 0 40 FIAB aggregator Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)C(C)C)c3)oc2c1 9064270 NKAGZGZYGURMFV-UHFFFAOYSA-N 353.447 4.272 0 40 FIAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)cc1 9157972 SIQFWFCWXWXAPO-UHFFFAOYSA-N 358.397 4.277 0 40 FIAB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccncc2)c1 9210118 MGCBMZLEIGPZCN-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB C[C@H](OC(=O)c1ccc2c3c(cccc13)CC2)c1nc(-c2cccnc2)no1 9389195 QUABKCILXQIUKA-ZDUSSCGKSA-N 371.396 4.301 0 40 FIAB C[C@H](Sc1nnc(N)s1)C(=O)n1c2ccccc2c2ccccc21 9489156 FHENDIHUHBBIDK-JTQLQIEISA-N 354.460 4.049 0 40 FIAB Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 9668091 BSNZPAVRBMJNDF-UHFFFAOYSA-N 374.440 4.194 0 40 FIAB CC[C@@H]1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 9784573 MOFKTUXNFSZDSS-MRXNPFEDSA-N 372.494 4.121 0 40 FIAB COc1ccc(SCCC(=O)Nc2nc(-c3cccnc3)cs2)cc1 10219559 FTZSDJHXNIHBJP-UHFFFAOYSA-N 371.487 4.335 0 40 FIAB COc1ccccc1NC(=O)CSc1nc(C2CC2)nc2ccccc12 10838631 IGVKCNCVNLPCIW-UHFFFAOYSA-N 365.458 4.247 0 40 FIAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc2[nH]cnc2c1 11419280 ODHDCFGDVLYDSL-UHFFFAOYSA-N 363.446 4.025 0 40 FIAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CSc2ccccn2)cs1 12634863 BDKXHEGULRTXRR-UHFFFAOYSA-N 367.499 4.195 0 40 FIAB C[C@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1 12808866 FCJJBNCRAAKBAE-AWEZNQCLSA-N 371.868 4.027 0 40 FIAB C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 12982507 DSPWFJYHTNWDDM-JTQLQIEISA-N 361.410 4.075 0 40 FIAB CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccsc2c1=O 13010127 JVTZEKKROKBXFA-VIFPVBQESA-N 364.496 4.012 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 13023990 MHSWWADOLKZGKS-GFCCVEGCSA-N 362.223 4.058 0 40 FIAB O=C(NCCc1ccccn1)c1cc(-c2cccs2)nc2ccccc12 13095874 CKNUJSMFMDSQNB-UHFFFAOYSA-N 359.454 4.331 0 40 FIAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(=O)[nH]c2ccccc12 13528027 SZICKPHWORGUHG-UHFFFAOYSA-N 366.726 4.453 0 40 FIAB c1ccc(-c2nc(N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1 14246994 YSVZNBKMHTXJJE-UHFFFAOYSA-N 367.456 4.018 0 40 FIAB CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 15008671 MPGBHQNKNBISPG-WOJGMQOQSA-N 366.442 4.190 0 40 FIAB C[C@@H](NC(=O)c1cncc(Br)c1)c1ccc2c(c1)CCCC2 15092297 GORMZDQAJDDNEM-GFCCVEGCSA-N 359.267 4.214 0 40 FIAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccccc1Cl 16449312 KQVZCANRMGBXHR-UHFFFAOYSA-N 356.834 4.326 0 40 FIAB O=C(Nc1ccc(F)c(F)c1F)c1cccc(OCc2cscn2)c1 16706056 LWVUAHZSLMXHDJ-UHFFFAOYSA-N 364.348 4.392 0 40 FIAB CCCOc1ccc(S(=O)(=O)N2CCc3ccccc32)c2ccccc12 16780309 JMEQSQWUUXJEOQ-UHFFFAOYSA-N 367.470 4.380 0 40 FIAB COc1cccc(CN2CCCC[C@@H]2c2n[nH]cc2-c2cc(C)no2)c1 19120926 QUCBZICFGIWULC-GOSISDBHSA-N 352.438 4.109 0 40 FIAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cccc2c1CCCC2 19199518 CJFWOJWILSDXIE-UHFFFAOYSA-N 370.836 4.156 0 40 FIAB c1cncc(CN(Cc2ccncc2)Cc2cnn(C3CCCCC3)c2)c1 19338718 PCFHRZGYFUKADY-UHFFFAOYSA-N 361.493 4.381 0 40 FIAB COc1ccc(CN[C@@H](Cc2cccs2)c2nccs2)cc1OC 19561233 KDWAMJDVUSERFE-HNNXBMFYSA-N 360.504 4.295 0 40 FIAB Cc1cc(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)ccc1Cl 20144255 XUDZNKKJUAISNT-UHFFFAOYSA-N 354.189 4.018 0 40 FIAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NCc1ccccn1 20729990 MILHLZPTIIYTCC-UHFFFAOYSA-N 355.441 4.410 0 40 FIAB CCCOc1ccc(C(=O)N2CCCC[C@@H]2CCN2CCCCC2)cc1 21148658 JTVZKXSXDRTEKB-HXUWFJFHSA-N 358.526 4.346 0 40 FIAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc3c(c2)OCCO3)on1 21786128 RRGGZYSBSQIEQL-UHFFFAOYSA-N 356.765 4.019 0 40 FIAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC[C@H]1CCCO1 27397411 RSHHCRVFAHWZPS-CYBMUJFWSA-N 370.396 4.046 0 40 FIAB O=C(CCc1ccc(Cl)cc1)N(Cc1ccccn1)[C@H]1CCSC1 32817465 KMOUJDXYNMDOJS-SFHVURJKSA-N 360.910 4.202 0 40 FIAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(F)cc2Cl)cc1OC 36394883 VYYFSASKAOPXAW-NSHDSACASA-N 351.805 4.296 0 40 FIAB O=C(c1ccco1)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 39563638 KEXQQSJVNJQTKX-GOSISDBHSA-N 374.425 4.276 0 40 FIAB Cc1ccc(NC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 40086426 RDTUAVRSJFZTEP-HXUWFJFHSA-N 360.461 4.439 0 40 FIAB Cc1c(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)[nH]c2c1C(=O)CCC2 48300807 BQURCMWWYNXIDV-UHFFFAOYSA-N 374.843 4.439 0 40 FIAB Cc1cccc(N2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)c1C 57449623 BVONNVUUNDHCGG-MRXNPFEDSA-N 368.506 4.298 0 40 FIAB Cc1cccc(C)c1OC[C@H](O)CNc1ncc(C(F)(F)F)cc1Cl 60081754 YUZOBXRVBVSQLO-CYBMUJFWSA-N 374.790 4.222 0 40 FIAB COc1ccc(C(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)cc1OC 60212753 RLHAJOWFXJHLAJ-SNVBAGLBSA-N 371.380 4.481 0 40 FIAB CCc1ncc(C(=O)NC(C)(C)c2ccc(Br)cc2)s1 65065005 TWATYOJJXICXLD-UHFFFAOYSA-N 353.285 4.133 0 40 FIAB COc1cccc(-c2cc(-c3ccc(Br)cc3)nc(N)n2)c1 71977738 CITGQSXYEIQOKL-UHFFFAOYSA-N 356.223 4.164 0 40 FIAB Cc1ccc(C)c(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 78579621 QGZCQVJALPHRTI-UHFFFAOYSA-N 369.852 4.208 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)c1cnc(C)n1-c1ccccc1 78899826 IAEHLLAADLGENX-KRWDZBQOSA-N 351.475 4.392 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)NCc2sc(-c3ccccc3)nc2C)c1 90592612 CFXCAMCOJOIFGI-UHFFFAOYSA-N 372.515 4.214 0 40 FIAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccs2)S1 96118451 DARJCSKRRLMTMM-RISCZKNCSA-N 363.508 4.254 0 40 FIAB CC(=O)O[C@H]1C[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 100227155 CIRUKACHYPJCFT-YRKVQTBBSA-N 358.863 4.154 0 40 FIAB CC(=O)OC[C@@]12CO[C@H](c3ccc(OC(C)=O)cc3)[C@H](C(C)=C[C@H]1C)[C@@H]2C 100571478 RJNYTRPEECCIOJ-BKGPBQDESA-N 372.461 4.081 0 40 FIAB CNc1c(NC(=O)Nc2ccc(C)cc2Cl)c(=O)oc2ccccc12 101094861 DKHKFXXPHNSVKN-UHFFFAOYSA-N 357.797 4.441 0 40 FIAB O=C(NCc1ccc(CO)cc1)OCC1c2ccccc2-c2ccccc21 104841334 UNAKBYNMNKEBDU-UHFFFAOYSA-N 359.425 4.218 0 40 FIAB CSc1nnc(C)n1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 107681414 MLSWFCOFYAALIN-CSKARUKUSA-N 374.853 4.005 0 40 FIAB COC(=O)CCCCCOc1ccc2cc([C@@H](C)C(=O)OC)ccc2c1 148724480 CBKRCMGBPGWHRU-OAHLLOKOSA-N 358.434 4.229 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)cc1 222872437 JKKPITZNUDIYGS-IBGZPJMESA-N 355.434 4.222 0 40 FIAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(SCC(C)C)s1 223705432 JUCJJLCJWXTKEW-CYBMUJFWSA-N 369.487 4.221 0 40 FIAB COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OC 225679697 VJZYCARDDWMDCW-UHFFFAOYSA-N 367.445 4.241 0 40 FIAB CCOc1ccccc1NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225808665 SPTAHFBVINYZOX-UHFFFAOYSA-N 371.824 4.360 0 40 FIAB Cc1ccc(CCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225869641 JTKPDZUNBLVEGT-GOSISDBHSA-N 351.490 4.390 0 40 FIAB CCOc1cc(/C=C/C(N)=O)ccc1OCc1ccc(Cl)cc1Cl 226361241 UNFAVXXUUYOSCQ-XBXARRHUSA-N 366.244 4.470 0 40 FIAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1cc2ccccc2s1 253471813 FUVBEXDKWIAXOQ-LJQANCHMSA-N 369.467 4.222 0 40 FIAB Cc1cccc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 306136673 PZUIYQKKGIDINW-NRFANRHFSA-N 365.502 4.095 0 40 FIAB CSc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(Oc2cccnc2)C3)cc1 390831374 RLNWVULPCHTSPA-HOTGVXAUSA-N 354.475 4.018 0 40 FIAB CCSc1ccccc1C(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714614 STOWXBSFOVWDMF-UHFFFAOYSA-N 353.447 4.121 0 40 FIAB O=C(NCc1cc2ccccc2o1)C1(Cc2ccc(F)cc2)CCOCC1 521959905 AXJVHHKTWDXNPV-UHFFFAOYSA-N 367.420 4.228 0 40 FIAB CCCc1c(-c2nc(-c3ccon3)no2)nnn1-c1cccc(C(C)C)c1 563774389 RYJAYWSEIZWWSF-UHFFFAOYSA-N 364.409 4.048 0 40 FIAB O=C(NCc1ccc(-c2ccsc2)o1)c1cncc(Br)c1 575611877 ZFWQLHNMYUQXQT-UHFFFAOYSA-N 363.236 4.096 0 40 FIAB O=C(Nc1cccc(Oc2ccccc2)c1)N1CCOC[C@H]1CC(F)F 581388079 BFUWSGWAZCRTEJ-OAHLLOKOSA-N 362.376 4.367 0 40 FIAB O=C(Cc1cccc2cnccc12)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 1629934622 COLTWESQNLBEFD-UHFFFAOYSA-N 364.355 4.084 0 40 FIAB CC1(C)C[C@]2(CCCN2C(=O)c2ccc(F)cn2)CN1c1cccc(F)c1 2037988545 TYSSPPDIVMAADY-OAQYLSRUSA-N 371.431 4.024 0 40 FIAB COC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 948934 UKJIUOUWZXDNBT-CQSZACIVSA-N 368.385 4.142 0 40 FIAB O=C(NC(=S)NC(c1ccccc1)c1ccccc1)c1cccs1 950461 BRVUJLNSPDPCEW-UHFFFAOYSA-N 352.484 4.142 0 40 FIAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C(=O)OC)cc3)c2c1 952835 VRBQPTMQKGAGKO-UHFFFAOYSA-N 364.401 4.250 0 40 FIAB CCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2cccc(F)c2)s1 1345478 ATDUWDCCVJIXCG-UHFFFAOYSA-N 371.437 4.410 0 40 FIAB O=c1c2ccccc2nc(CN2CCCC2)n1-c1cccc(C(F)(F)F)c1 1507723 OMHHQSFHTXSPBM-UHFFFAOYSA-N 373.378 4.000 0 40 FIAB CC(=O)N(C)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 1753306 LAEUXJSULLHEDI-UHFFFAOYSA-N 351.328 4.332 0 40 FIAB CCOC(=O)C(=O)N1c2ccc(C)cc2[C@](C)(c2ccccc2)CC1(C)C 2183183 FZXVVCWKDNBOQD-QHCPKHFHSA-N 365.473 4.379 0 40 FIAB Cc1ccc(NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)cc1 2320473 YPMLNYMKDKJPJW-UHFFFAOYSA-N 364.445 4.180 0 40 FIAB COC(=O)CSCCc1nc(-c2c(-c3ccccc3)noc2C)cs1 2383529 GNPAGSVILPNCHJ-UHFFFAOYSA-N 374.487 4.222 0 40 FIAB OCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3 2399102 SBHXDAUTUXVNLA-UHFFFAOYSA-N 371.531 4.267 0 40 FIAB O=C(O[C@H]1CCOC1=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2633909 ZKCNFYXILVBSSV-SFHVURJKSA-N 367.788 4.028 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C 2713245 DUYBMGXDEYAJQY-UHFFFAOYSA-N 370.840 4.107 0 40 FIAB COc1ccccc1/C=C(/C(=O)O[C@@H]1CCCCC1=O)c1ccccc1 3363001 HFVMJIJDFXQWKJ-BKBDBRRMSA-N 350.414 4.291 0 40 FIAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc(N)s1 3371176 MVDWKVWQGGIKCY-UHFFFAOYSA-N 350.513 4.098 0 40 FIAB COc1ccc(C(=O)CC(=O)c2ccc3ccccc3c2O)cc1OC 3984266 OJQXDLSXIJAJNW-UHFFFAOYSA-N 350.370 4.018 0 40 FIAB biogenic Cc1ccccc1C(=O)N(CCCN(C)C)c1nc2c(F)cccc2s1 4359772 VYBJVZWUYMYJLW-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB CCN(CC)C(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)ccc3CC[C@H]12 5023974 VKVVOFVFODCHHI-WWNPGLIZSA-N 371.521 4.491 0 40 FIAB COCCn1cc(NC(=O)NCc2ccccc2Cl)c2ccccc21 5266392 UHJLBUDJEHBJMD-UHFFFAOYSA-N 357.841 4.263 0 40 FIAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 5416985 YXXVULQHELFXFJ-RBBKRZOGSA-N 357.413 4.333 0 40 FIAB CCCn1c(O)c(C(=O)Nc2ccccc2Cl)c(=O)c2ccccc21 5444294 BXEZCTZPRRNSBR-UHFFFAOYSA-N 356.809 4.023 0 40 FIAB COc1ccc([C@H]2CN(C(=O)c3ccccc3)N=C(c3ccccc3)O2)cc1 5519634 RHXNRQRNNFGWSU-OAQYLSRUSA-N 372.424 4.271 0 40 FIAB COC(=O)c1cccc(COC(=O)c2ccc(C3SCCS3)cc2)c1 5585370 VTOBCHLNTFLOEP-UHFFFAOYSA-N 374.483 4.309 0 40 FIAB CCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 5614982 RVVZLDVLRJUKIJ-UHFFFAOYSA-N 364.445 4.449 0 40 FIAB COc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)ccc1OC(F)F 6580843 JJGUKIZBSVYUFP-SDQBBNPISA-N 351.736 4.443 0 40 FIAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)c(C)c1 6629944 SJYVLTICZPFODC-UHFFFAOYSA-N 359.470 4.107 0 40 FIAB CC(C)(CNC(=S)Nc1cccc(C(F)(F)F)c1)N1CCCCC1 6831509 ZZXNJGYBWHFMHR-UHFFFAOYSA-N 359.461 4.256 0 40 FIAB O=C(COc1ccc2c(c1)CCC2)Nc1nc(-c2cccs2)cs1 6832393 RRVRRYPQLMFXQV-UHFFFAOYSA-N 356.472 4.378 0 40 FIAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 7057205 FPXVQAKBJDOPJQ-UHFFFAOYSA-N 369.442 4.172 0 40 FIAB COc1ccc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)[nH]c2c1 7286835 LGOWVMWOSXNYOO-LLVKDONJSA-N 352.419 4.475 0 40 FIAB Cc1ccc(C)c(OCc2nnc(SCCOc3ccccc3)n2C)c1 7341877 DVSVAGVVFSQWJA-UHFFFAOYSA-N 369.490 4.182 0 40 FIAB COc1ccc(C)cc1S(=O)(=O)NC(c1ccccc1)c1ccccc1 7667889 HFLONXHSNSXPEC-UHFFFAOYSA-N 367.470 4.072 0 40 FIAB Cc1ccc([C@@H](NC(=O)COc2cccc(F)c2)c2cccs2)cc1 7739988 WOEGOJIINQOPGM-HXUWFJFHSA-N 355.434 4.480 0 40 FIAB O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 7929390 UXINVLNAMKCDFX-INIZCTEOSA-N 365.816 4.452 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c1 8230923 VOKSRFACRHCFIC-UHFFFAOYSA-N 371.440 4.257 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2c(s1)CCCCC2 8750117 JCVGQODCJHQUSF-INIZCTEOSA-N 358.507 4.177 0 40 FIAB C[C@@H](NC(=O)CSc1ncnc2sccc12)c1cc2ccccc2o1 8855736 CYANQEQPHDJGLP-LLVKDONJSA-N 369.471 4.407 0 40 FIAB CCOCc1cc(-c2csc(NC(=O)c3ccco3)n2)ccc1OC 9114284 ACNSVHSXJSXPHW-UHFFFAOYSA-N 358.419 4.201 0 40 FIAB Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)c(C(=O)c2ccccc2)c1 9175785 UOLQTUBUOMDJFB-UHFFFAOYSA-N 359.381 4.207 0 40 FIAB O=C(Cc1c(F)cccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 9690433 VVHYCUVEEAFKOX-UHFFFAOYSA-N 374.843 4.286 0 40 FIAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1cccc(F)c1 10139027 LXUJTQDPJITEBM-LBPRGKRZSA-N 370.346 4.183 0 40 FIAB COc1cccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2F)c1 10226130 CFGIRBDUFGNKRL-GOSISDBHSA-N 362.832 4.263 0 40 FIAB Cc1ccc2cccc(OCC(=O)N[C@@H](c3cccs3)C(C)C)c2n1 10900720 JDJDNUSWPVTYAQ-LJQANCHMSA-N 354.475 4.497 0 40 FIAB CC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)nc1C 11916886 PAQKZJJJFIPEEV-UHFFFAOYSA-N 359.382 4.009 0 40 FIAB COC[C@@H](C)Oc1ccc(NCc2cc(-c3ccccc3)c[nH]c2=O)cc1 12220780 VGXMJQQCSXVVIF-MRXNPFEDSA-N 364.445 4.068 0 40 FIAB O=C(NC1CC1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231688 FOWVKIIYFTYAKQ-UHFFFAOYSA-N 371.427 4.250 0 40 FIAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2cccc(Oc3ncccn3)c2)on1 12366549 GBINRFBUZHYRHZ-FXAWDEMLSA-N 364.449 4.066 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(Cn2cccn2)cc1 12625997 QQBSEQBNZHCGDP-UHFFFAOYSA-N 372.472 4.052 0 40 FIAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cnc2ccccc2n1 12811510 GQXGMIIYRYWLGM-LJQANCHMSA-N 363.417 4.350 0 40 FIAB COc1ccc(NCc2cc3cc(OC(F)(F)F)ccc3[nH]c2=O)cc1 13561353 APRIXWXLVMMZDK-UHFFFAOYSA-N 364.323 4.047 0 40 FIAB COc1cccc(-c2nn3c(-c4ccc5ccccc5n4)nnc3s2)c1 13683615 MFRKAQURANFNOK-UHFFFAOYSA-N 359.414 4.077 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13684853 NLZYJBQWRHTGLV-UHFFFAOYSA-N 356.491 4.087 0 40 FIAB CC(C)c1ccc(OCC(=O)NCc2cc(-c3ccccc3F)on2)cc1 16838492 DBSTUOVBDSESON-UHFFFAOYSA-N 368.408 4.299 0 40 FIAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)OC(C)(C)C)CC1 19022246 SWVKUFLWJZNZGN-UHFFFAOYSA-N 369.465 4.308 0 40 FIAB CNC(=O)[C@@H](C)Sc1cc(-c2ccccc2)c2ccc(OC)cc2n1 19297155 UOJOJIUJVJMXDX-CYBMUJFWSA-N 352.459 4.137 0 40 FIAB CCn1nc(C)c([C@H](C)NC(=O)c2cc(C)nc3c(C)cccc23)c1C 19523762 QCIJBVQSYPBHKF-AWEZNQCLSA-N 350.466 4.176 0 40 FIAB O=C1COc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2N1 22384594 BOPYDHLVAZFYOG-UHFFFAOYSA-N 358.806 4.138 0 40 FIAB O=C(CCSc1ccccc1)NCCOc1cccc(C(F)(F)F)c1 23142548 WRCXXAQZGZSZGR-UHFFFAOYSA-N 369.408 4.383 0 40 FIAB COc1ccc(OC)c(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)c1 24062605 VRQNRROYDZVERY-UHFFFAOYSA-N 367.445 4.184 0 40 FIAB Cc1cccc(C)c1NC(=O)CNc1ccc(NC(=O)CC(C)C)cc1 24969647 HHNOZWGDPUVNJP-UHFFFAOYSA-N 353.466 4.339 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)c1sccc1-n1cccc1 25157446 FCIUTNUSYVKIDF-UHFFFAOYSA-N 355.444 4.185 0 40 FIAB Cc1cc(NC(=O)CCSCc2csc(-c3ccsc3)n2)no1 32779138 RILZSJJLRMTVSS-UHFFFAOYSA-N 365.505 4.430 0 40 FIAB Cc1cc(NC(=O)[C@@H](SCc2c(C)noc2C)c2ccccc2)no1 32837646 KOZGDMPGGFZPLV-KRWDZBQOSA-N 357.435 4.201 0 40 FIAB CCn1c(=O)n(Cc2ncc(-c3cccc(Cl)c3)o2)c2ccccc21 32869455 HOGTVGDQQJJEBN-UHFFFAOYSA-N 353.809 4.180 0 40 FIAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1sccc1-c1ccccc1 32969231 MBTLKKBJHNIJIN-UHFFFAOYSA-N 368.433 4.265 0 40 FIAB CC1(C)CCCN(C(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)C1 39766096 HWXUZSIVUJUJBU-UHFFFAOYSA-N 366.908 4.340 0 40 FIAB CC1(C)N=C(c2ccc(Cl)cc2)C(=S)N1C(=O)c1ccc(F)cc1 45932882 BZIVBTUABZGGLG-UHFFFAOYSA-N 360.841 4.488 0 40 FIAB C[C@@H](Oc1ccc(C(=O)Nc2cccc3cn[nH]c23)cn1)c1ccccc1 48235424 XOTLGPIEIYDDIT-CQSZACIVSA-N 358.401 4.350 0 40 FIAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nc(C2CC2)no1 48365330 UHLRVYFXAWGRPH-JTQLQIEISA-N 373.507 4.379 0 40 FIAB CCn1c(-c2ccco2)nn(CN(Cc2cccc(F)c2)C2CC2)c1=S 48365797 HXBGLMDWYAKFDZ-UHFFFAOYSA-N 372.469 4.455 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)Nc1nc(-c2cccs2)cs1 52819668 QPAHAEXAUWFAEX-UHFFFAOYSA-N 354.460 4.319 0 40 FIAB C[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1nc(-c2ccccc2)c[nH]1 62582271 QDSKKFBXESWKOY-INIZCTEOSA-N 359.473 4.375 0 40 FIAB OCCCc1nc2ccccc2n1C[C@@H](O)c1cc(Cl)ccc1Cl 65474430 DAMZVJKBAWWXIT-QGZVFWFLSA-N 365.260 4.002 0 40 FIAB CC[C@@H](NC(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1cccc(Cl)c1 65564652 CTVWMLMUWCWGEF-GDBMZVCRSA-N 362.861 4.072 0 40 FIAB O=C(C=C(C1CC1)C1CC1)NC1CCN(c2nc3ccccc3s2)CC1 65925947 IWWPUAGGZVXRMK-UHFFFAOYSA-N 367.518 4.128 0 40 FIAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C1=NO[C@H](c2ccccc2)C1 68514285 LVAAEIZGWKZLBO-IBGZPJMESA-N 374.400 4.033 0 40 FIAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 71760823 RDWDYNLHDQLWFK-UHFFFAOYSA-N 356.325 4.123 0 40 FIAB CCN(CC)c1ccc2c(C)c(-c3ccccc3C(=O)O)c(=O)oc2c1 79006767 CABZKHOUEBJYHZ-UHFFFAOYSA-N 351.402 4.313 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 95392602 BUOUMEJMTLGMNA-OLZOCXBDSA-N 372.519 4.042 0 40 FIAB Cc1cccc(OC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)n1 96102948 OJZPMRBBPAMOTM-UHFFFAOYSA-N 365.260 4.380 0 40 FIAB CCCCCn1c(=O)c(C(=O)Nc2ccc(F)cc2)c(O)c2ccccc21 100504408 AYUQCNNYHDNMDF-UHFFFAOYSA-N 368.408 4.289 0 40 FIAB CC(C)n1nc(-c2nc(-c3cccc(Cl)c3)no2)c2ccccc2c1=O 109468728 UFNPKDJRTATLDN-UHFFFAOYSA-N 366.808 4.348 0 40 FIAB Cc1ccc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1 199769594 JURWXQJENVLDNI-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)OCCO2 223015199 MXGQWUUZFABWQI-INIZCTEOSA-N 361.825 4.216 0 40 FIAB COc1ccc(CCNC(=O)c2cc3cc4ccccc4nc3s2)cc1 223127473 ANFANIZOXIRRTH-UHFFFAOYSA-N 362.454 4.431 0 40 FIAB Cc1ccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c(C)c1 223658385 VAWFRUIBDHJWKC-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CCC(C)(C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 224047134 ZNQPAVBIXFVCEN-UHFFFAOYSA-N 374.506 4.023 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224874308 WCPKCHJRNCWLDN-INIZCTEOSA-N 369.339 4.390 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1 225478843 KWLGOIHJKDVZRN-HNNXBMFYSA-N 355.507 4.053 0 40 FIAB COC(=O)c1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1C 225523791 CIHZFTQOILXKNI-UHFFFAOYSA-N 372.490 4.055 0 40 FIAB CCCO[C@](C)(CC)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225732866 IOBIYSFMOJPSAP-FZKQIMNGSA-N 357.878 4.288 0 40 FIAB O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccccc2)C1 225901202 MSCCLSBGKPKVPH-MRXNPFEDSA-N 351.475 4.147 0 40 FIAB O=C(c1cccc(Cl)c1)N1CC[C@@H](Oc2cccc3cccnc23)C1 238952208 XEDBQNCLPKKWPY-QGZVFWFLSA-N 352.821 4.182 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1 247991602 MVTUQUDYXZAYQX-YKCBXCCJSA-N 356.510 4.304 0 40 FIAB CC(C)c1ccc(O)c(C(=O)NCc2cccc(CN3CCCCC3)c2)c1 257250370 JMGUCCVHNIZNOK-UHFFFAOYSA-N 366.505 4.432 0 40 FIAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 408626835 ITUYYUQYJBHROY-AWEZNQCLSA-N 371.481 4.331 0 40 FIAB CCCCCNC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408678663 UMCUDVYXBJHQSR-UHFFFAOYSA-N 364.445 4.104 0 40 FIAB Cc1ccccc1[C@@H](C)Cc1nc(-c2cccnc2OCC(F)F)no1 547257388 UHNJNNHLXRRIMC-ZDUSSCGKSA-N 359.376 4.430 0 40 FIAB CC1=C(c2ccco2)CN(C(=O)Nc2ccccc2-n2ccc(C)n2)CC1 585080320 JABILNFRDAXHMR-UHFFFAOYSA-N 362.433 4.485 0 40 FIAB CC(C)CCc1ccc(NC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)nc1 663184389 GTLAVSMYANTKGG-UHFFFAOYSA-N 355.486 4.010 0 40 FIAB Cc1cc(CN2CCC[C@@H](c3nnc(-c4ccccc4F)s3)C2)on1 1888901347 YHAUEZUGEVKJQG-CYBMUJFWSA-N 358.442 4.020 0 40 FIAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 752553 SHJARAZSORKMBW-UHFFFAOYSA-N 370.408 4.302 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 1103467 BIGGFGGERGRGES-HNNXBMFYSA-N 373.474 4.210 0 40 FIAB CCc1nc(SCC(=O)Nc2cccc(C(C)=O)c2)c2ccccc2n1 1332522 YVXLSFPLDRTMJX-UHFFFAOYSA-N 365.458 4.126 0 40 FIAB CC[C@H]1CCCCN1C(=O)CSc1nc(C)nc2sc(C)c(C)c12 1340324 VVXBVBJLCAOSSL-AWEZNQCLSA-N 363.552 4.500 0 40 FIAB CCCCOc1ccc(C2=N/C(=C/c3ccc(OC)cc3)C(=O)O2)cc1 2024624 VSMSZIKLEZYNSW-XMHGGMMESA-N 351.402 4.219 0 40 FIAB Cn1c(SCCOc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 2640690 RVERBGPXMXBWTL-UHFFFAOYSA-N 363.845 4.446 0 40 FIAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)cc1 3109179 AIIUVJOFTBUVPU-SFQUDFHCSA-N 354.431 4.191 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(OC(F)F)c1 3217263 QVSLRPRGNRXVGJ-UHFFFAOYSA-N 369.751 4.045 0 40 FIAB COC(=O)Cc1ccc(Oc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 3283998 ABOBQWMZKBATPG-GFCCVEGCSA-N 368.458 4.324 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSc1ccccn1 3304603 BQGAJTFMIKAUKC-FNORWQNLSA-N 353.274 4.310 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1C 4123915 QUKUMJFNORPEEA-QGZVFWFLSA-N 366.446 4.081 0 40 FIAB CCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nnc1-c1ccccc1 4463534 NDXUYMZCNYUILV-AWEZNQCLSA-N 367.474 4.337 0 40 FIAB CC(C)n1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 4676593 OXKDYQYGQXAXDM-XDHOZWIPSA-N 359.429 4.315 0 40 FIAB C/C=C/C(=O)Nc1ccc(-c2nc3ccc(NC(=O)/C=C/C)cc3[nH]2)cc1 5443980 UAIGZQWNZMFHIR-GGWOSOGESA-N 360.417 4.259 0 40 FIAB Cc1nc(Sc2nnc3ccccn23)c2c3c(sc2n1)CCCC3 5446893 IRUFMOKGDIDWMF-UHFFFAOYSA-N 353.476 4.072 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)c(OC)c1 5460851 ZEQGAIKJRUVXDN-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB CCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCC)C1=O 5509074 DPLPQNFQLJQAAV-LCYFTJDESA-N 370.268 4.294 0 40 FIAB CC[C@H](O)c1cnc(OCc2ccccc2)nc1OCc1ccccc1 6002166 QXCGMXJBRMUENB-IBGZPJMESA-N 350.418 4.078 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@H](C)c3cccs3)c2c1C 6113098 BLDQCLAYBKJGGL-SNVBAGLBSA-N 363.533 4.339 0 40 FIAB Cc1ccccc1OCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 6219593 RMWDPUXLZNRBOK-UHFFFAOYSA-N 360.385 4.414 0 40 FIAB CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1cccc(O)c1 6743376 VBJBGKRABQVSHC-LJQANCHMSA-N 363.413 4.071 0 40 FIAB COc1ccc(-n2c(N)c(C(=O)Nc3ccccc3C)sc2=S)cc1 7499913 FAUWUHNEUFFRQA-UHFFFAOYSA-N 371.487 4.420 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1 7504572 WSNTUOBFYSACMR-UHFFFAOYSA-N 352.434 4.024 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncnc3ccccc23)c1C 7637150 OFMUFFNEBQIPAN-ZDUSSCGKSA-N 353.447 4.141 0 40 FIAB COCCCn1c(C)cc(C(=O)CSc2ncnc3ccccc23)c1C 7781637 AMQDNZFKFBZOOR-UHFFFAOYSA-N 369.490 4.060 0 40 FIAB CN(C)C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 7816576 DSZMUIFDJFNZQA-IENJSVCTSA-N 362.395 4.138 0 40 FIAB O=C(NC[C@@H]1CCCO1)c1sc(-c2ccccc2)nc1-c1ccccc1 7943886 RJOOCYVNLAEUAD-KRWDZBQOSA-N 364.470 4.386 0 40 FIAB CN(Cc1ccc(Br)cc1)C(=O)c1cccc2cccnc12 7986844 YMMSJKDPSUNPET-UHFFFAOYSA-N 355.235 4.270 0 40 FIAB Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1 8577966 SLWUMZKNTLKMGT-UHFFFAOYSA-N 366.856 4.057 0 40 FIAB O=C1CC[C@@]2(C(=O)OCc3ccccc3Cl)Sc3ccccc3N12 8733836 NMLHWCBTTNAQMP-SFHVURJKSA-N 359.834 4.012 0 40 FIAB CC[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(Cl)cc1 8734975 CMLSJDSDXGZUAJ-WMLDXEAASA-N 374.893 4.410 0 40 FIAB O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(C(=O)NC2CC2)c1 9500962 GHHULGKDSAXMON-UHFFFAOYSA-N 363.244 4.067 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)[C@@H]1C[C@H]1c1ccccc1Cl 9544628 QQQTYFSHAYERDZ-UONOGXRCSA-N 358.850 4.476 0 40 FIAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1ccccc1 9690200 DGHWFICSGTXRLD-MAUKXSAKSA-N 370.880 4.070 0 40 FIAB COc1ccc(-n2nc(CSc3nc4ccccc4o3)cc2O)cc1 9939673 XKUHUYRJYLFWSK-UHFFFAOYSA-N 353.403 4.020 0 40 FIAB Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCCC3)n2)cc1 10213547 ARIRPIWFCJDTFZ-UHFFFAOYSA-N 364.428 4.407 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(S[C@@H](C(N)=O)c3ccccc3)o2)cc1 10494773 JSEDAOSBIUVBIF-MRXNPFEDSA-N 367.474 4.353 0 40 FIAB Clc1ccc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc1Cl 12228316 SNSLARBLAJVYDE-UHFFFAOYSA-N 362.264 4.039 0 40 FIAB COc1ccc(C(=O)CSc2ncc(-c3ccc(F)cc3)[nH]2)cc1F 12507265 AEXRBUQRRORXAZ-UHFFFAOYSA-N 360.385 4.339 0 40 FIAB NC(=O)c1cccc(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)c1 12521765 AAKNGIBHQMCKAO-UHFFFAOYSA-N 369.424 4.046 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCc2nc(-c3ccsc3)no2)cc1 12534431 FTEVGQRAWACCSL-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB Cc1ccc2[nH]c(SCc3nc4cc(Cl)ccc4c(=O)[nH]3)nc2c1 13598341 NOBCLPYIHSAPOQ-UHFFFAOYSA-N 356.838 4.054 0 40 FIAB Cc1csc(SCc2ccc(C(=O)Nc3nnc(C)s3)cc2)n1 14714764 FXWBBYRQGGCCCL-UHFFFAOYSA-N 362.505 4.156 0 40 FIAB Cc1[nH]c2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2c1C 15140165 BUSOZPJYTTYELK-UHFFFAOYSA-N 361.489 4.311 0 40 FIAB COc1ccc(OC)c(-n2c([C@H]3C[C@H]3c3ccccc3)n[nH]c2=S)c1 15987408 NEBYJBFRHVAACI-GJZGRUSLSA-N 353.447 4.218 0 40 FIAB Clc1ccccc1CCN1CCC(c2nnc(-c3ccncc3)o2)CC1 19348688 ZAEKZRCVPRRPBU-UHFFFAOYSA-N 368.868 4.207 0 40 FIAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1 19687625 RYBQEQCPUXBYFM-UHFFFAOYSA-N 372.472 4.054 0 40 FIAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCCC1 19942745 QEHLURYKARNYFY-UHFFFAOYSA-N 353.528 4.483 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Cl 20030001 VCRCIQJDQDKXLV-NSHDSACASA-N 374.289 4.432 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1OC 20483413 NKOZNNZWKUSDQG-JTQLQIEISA-N 353.390 4.101 0 40 FIAB COc1ccc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)cc1 21635349 BICSPCGJRWEQQY-UHFFFAOYSA-N 358.488 4.461 0 40 FIAB Cc1ccc(N2C(=O)N(CN3CCC[C@@H]3c3cccs3)C(=O)[C@H]2C)cc1 23762397 NSKCLTIBZJTVGZ-NVXWUHKLSA-N 369.490 4.008 0 40 FIAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 24477734 HMZXQRNMZLNBOC-UHFFFAOYSA-N 372.428 4.014 0 40 FIAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C(C)(C)C)cc1 28188444 VQTGXFDAKZHQRK-UHFFFAOYSA-N 355.463 4.368 0 40 FIAB CCOc1ccc(NC(=O)c2ccc(Br)o2)c2cccnc12 28403083 MXATVKLZNNKWIT-UHFFFAOYSA-N 361.195 4.241 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(N2CCCC2)nc1 30299894 LUPOXGRXVZNUFQ-UHFFFAOYSA-N 371.484 4.208 0 40 FIAB Cc1noc2ncc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc12 30920378 DKUSIQMIPYZREQ-MRVPVSSYSA-N 350.205 4.329 0 40 FIAB Cc1cccc(OCC(=O)N2CCCC[C@H]2CCN2CCCCCC2)c1 31773492 ZGLXAAKJGGGPSI-FQEVSTJZSA-N 358.526 4.021 0 40 FIAB CN(C)Cc1ccc(CNC(=O)c2ccccc2Oc2ccccc2)cc1 32741398 DTSFEJMGVXVFME-UHFFFAOYSA-N 360.457 4.471 0 40 FIAB C[C@H](C(=O)N1CCc2ccccc21)N1CCC(c2c[nH]c3ccccc23)CC1 32879765 SDVRABMTWWLJPY-QGZVFWFLSA-N 373.500 4.325 0 40 FIAB COc1cc(Cl)c(NC(=O)CCOc2cc(C)ccc2C)cc1OC 32883025 WLCIXVBJYGTUNX-UHFFFAOYSA-N 363.841 4.382 0 40 FIAB OC1=Nc2c(ncn2-c2ccccc2Br)[C@H](c2cccnc2)C1 36360409 PDBZWRFZUMWYAY-LBPRGKRZSA-N 369.222 4.153 0 40 FIAB CCc1cc(C(=O)N[C@@H](C)CC)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621652 MNIUNEZYROOWAJ-AWEZNQCLSA-N 362.477 4.389 0 40 FIAB CCCc1noc([C@@H](C)OC(=O)c2csc(-c3ccc(C)cc3)n2)n1 40059745 DYRZXUYVDRPXCD-GFCCVEGCSA-N 357.435 4.372 0 40 FIAB O=C(N[C@H]1CCOc2ccccc21)[C@H](Oc1ccccc1)c1ccccc1 40131104 VEEYVAIZGGJMKK-RBBKRZOGSA-N 359.425 4.447 0 40 FIAB O=C(NCCc1ccccc1O)c1csc(-c2ccc(Cl)cc2)n1 40150261 KOIUFJMKMWOQDX-UHFFFAOYSA-N 358.850 4.142 0 40 FIAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1 41076995 RDVBGFQKNBBCJU-UHFFFAOYSA-N 355.825 4.236 0 40 FIAB CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1ccccc1 44085336 RPKMPOZOILOGHB-UHFFFAOYSA-N 368.458 4.203 0 40 FIAB O=C1C[C@@H](c2noc(-c3ccc(F)cc3)n2)CN1c1ccc(Cl)cc1 44421673 SCMROELERGWQOQ-GFCCVEGCSA-N 357.772 4.050 0 40 FIAB CC(C)n1ncc2cc(NC(=O)C3(c4cccc(Cl)c4)CC3)cnc21 44611601 AUNUTPWFGOOFAY-UHFFFAOYSA-N 354.841 4.336 0 40 FIAB CCOc1cccc(CNC(=O)c2sc(-n3cccc3)nc2C(C)C)c1 49006264 OTKDXVNLYUSNGU-UHFFFAOYSA-N 369.490 4.386 0 40 FIAB Cc1c(NCc2nc(CC(C)C)no2)cccc1NC(=O)c1ccccc1 55884285 CZXPYWZZCSNKMH-UHFFFAOYSA-N 364.449 4.441 0 40 FIAB CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c(C)c1 58201729 NUDUXOQTGULKGT-ZIAGYGMSSA-N 357.541 4.036 0 40 FIAB COc1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1OC 59386034 USMPYCQKACRHOR-UHFFFAOYSA-N 368.260 4.373 0 40 FIAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2CCOC)cc1 67259780 GKDLLGVZYMWGGW-UHFFFAOYSA-N 358.488 4.040 0 40 FIAB O=C(NCC(F)(F)F)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 69586826 MNNGBKNZLUCTRM-UHFFFAOYSA-N 369.730 4.078 0 40 FIAB Fc1c(I)c(Br)cc2ccccc12 71790010 HZQDAXJODFEXHP-UHFFFAOYSA-N 350.956 4.346 0 40 FIAB COc1ccc(-c2csc(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)n2)cc1 72264932 CQXATNFFOYFHBV-MSOLQXFVSA-N 364.470 4.239 0 40 FIAB CNc1ncccc1CN1CCC(c2cccc(Cc3ccccc3)n2)CC1 72350260 ULHKMOKKDSHHSM-UHFFFAOYSA-N 372.516 4.489 0 40 FIAB O=C(COc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 72357772 JXEFPICGHBFLBJ-QHCPKHFHSA-N 372.468 4.415 0 40 FIAB Fc1cccc(-n2ccc(CSc3nc(Cc4cccs4)n[nH]3)n2)c1 84372754 PKCIOBJVLRBSOC-UHFFFAOYSA-N 371.466 4.074 0 40 FIAB C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 84640475 WHWMXDVHFSKVBO-JTQLQIEISA-N 373.375 4.214 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1 95462300 BEBZDZXMTDZZQR-CZUORRHYSA-N 365.449 4.125 0 40 FIAB Cc1nc(C)c(-c2nn3c(Cc4ccccc4Cl)nnc3s2)s1 95477943 KAINQPWOOXLIGN-UHFFFAOYSA-N 361.883 4.170 0 40 FIAB Cc1csc2[nH]c(/C=C/c3csc(Br)c3)nc(=O)c12 95941578 XAQNDMSHSMASQD-NSCUHMNNSA-N 353.266 4.287 0 40 FIAB COc1ccc([C@@H](C)NC(=O)Nc2csc(-c3ccccn3)n2)cc1F 95996454 VPMIUJSNHQAHAR-LLVKDONJSA-N 372.425 4.236 0 40 FIAB Cc1ccc(-c2noc(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 98211006 NLPNBPSLSIMKTF-UHFFFAOYSA-N 357.454 4.235 0 40 FIAB Cc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 102831758 JAEFIHCCNDLHRL-SNEKZUEESA-N 370.884 4.174 0 40 FIAB CC(=O)OC[C@]12CO[C@@H](c3ccc(OC(C)=O)cc3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 105366953 RJNYTRPEECCIOJ-OZTQZWFPSA-N 372.461 4.081 0 40 FIAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccnc3)o2)cc1C 108042255 YZUZFDOANTUMKC-UHFFFAOYSA-N 351.431 4.085 0 40 FIAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 216256131 JSJHHBAQRZCXQJ-NRFANRHFSA-N 351.471 4.204 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 219291550 BRUJOXJIVJOSPU-HNNXBMFYSA-N 361.869 4.255 0 40 FIAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O1 223657970 RKPKUIRZMTYXHA-UHFFFAOYSA-N 351.855 4.244 0 40 FIAB CCc1cc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)ccc1OC 223750458 NVEQUKILQIVPLA-UHFFFAOYSA-N 361.507 4.034 0 40 FIAB O=C(OCc1c(F)cccc1Cl)c1snnc1-c1ccc(F)cc1 223843300 KHTJMGHTDNTBKE-UHFFFAOYSA-N 366.776 4.494 0 40 FIAB CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)s1 224869935 SROMTKPOEFNCDZ-CYBMUJFWSA-N 351.497 4.009 0 40 FIAB Cc1ccc(CC(=O)Nc2ccc(I)cc2)c(C)c1 224908727 ULIRUXZRWVSFHK-UHFFFAOYSA-N 365.214 4.089 0 40 FIAB Cc1ccc(C)c(CC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225162442 VHIYKOUFPGXDOB-UHFFFAOYSA-N 354.475 4.442 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2OCC)c1 225443042 SXFWRJPUKLNGMW-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB CCOc1cccc(NC(=S)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225790850 JHVKYLHMYPBQOJ-INIZCTEOSA-N 358.507 4.456 0 40 FIAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C)n1 225876138 MJQPOZWHHZBTLG-UHFFFAOYSA-N 374.868 4.129 0 40 FIAB CCOC(=O)c1ccc(OC)c(OCc2ccc(Br)cc2)c1 226328769 TZLJPLPXQPYTBG-UHFFFAOYSA-N 365.223 4.213 0 40 FIAB Fc1ccccc1Cc1cnc([C@H]2CCCN(Cc3cncs3)C2)o1 257246241 ITFZQXDPOCPHNB-HNNXBMFYSA-N 357.454 4.241 0 40 FIAB Cc1ccc(C(=O)N2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)cc1 306129443 IDKWQJTVIZDBBA-NRFANRHFSA-N 363.486 4.108 0 40 FIAB O=C(Cc1cccc(Cl)c1)OCC(=O)c1ccc(Br)cc1 408720664 BOGAJCYIGBLYMP-UHFFFAOYSA-N 367.626 4.071 0 40 FIAB Cn1nc(C(C)(C)C)c2cc(C(=O)N3Cc4cccc(Cl)c4C3)cnc21 585083321 QRZQXJIPBCMBTK-UHFFFAOYSA-N 368.868 4.075 0 40 FIAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(F)c2ccncc12 622847029 FCIUQPZOUCEYLO-UHFFFAOYSA-N 366.436 4.441 0 40 FIAB CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 1775953761 JMDIMUCMZWADSC-FGZHOGPDSA-N 350.506 4.227 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 714037 RDDOMPLINKUVSR-YJEJQGFLSA-N 373.374 4.497 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 850107 PWONIBKYWHOHNU-UHFFFAOYSA-N 359.838 4.429 0 40 FIAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OC3CCCCC3)cc2C1=O 990326 VKXNBBVFFMLWGR-UHFFFAOYSA-N 363.413 4.285 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CNc3ccccc3C)C2=O)cc1 1090589 JZSOMORUYCNUSJ-BOPFTXTBSA-N 354.431 4.110 0 40 FIAB COc1ccc(-c2nc3ncccc3n2OCc2cccc(Cl)c2)cc1 1400216 ULEIIPKAYNURPR-UHFFFAOYSA-N 365.820 4.389 0 40 FIAB COc1ccccc1CNc1ncnc2c1cnn2-c1ccc(Cl)cc1 2371354 MSAPZWNSNVSFHS-UHFFFAOYSA-N 365.824 4.090 0 40 FIAB CCOC(=O)c1ccccc1C(=O)CCc1cccc(Br)c1 2516702 VSYJPVNQXRGWHS-UHFFFAOYSA-N 361.235 4.441 0 40 FIAB O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc(OC(F)F)cc1 2632773 LDBCXEWTLHUDBY-UHFFFAOYSA-N 359.416 4.425 0 40 FIAB Cc1cc(OC(F)F)ccc1NC(=O)[C@H](C)Cn1nc(C)c(Cl)c1C 2805374 IFTWUWGRVZKDJB-SNVBAGLBSA-N 371.815 4.338 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 3069659 PXRLAVCYYZYYOK-VZUCSPMQSA-N 367.401 4.024 0 40 FIAB COc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c2c1 4274557 AWWMQTUDNLCEDY-UHFFFAOYSA-N 355.463 4.228 0 40 FIAB CC(=O)C1=C(O)C(=O)N(C23CC4CC(CC(C4)C2)C3)[C@H]1c1cccc(F)c1 4476819 CKLXFHMTFWHNBJ-JRUMVTRASA-N 369.436 4.079 0 40 FIAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1nc(C)cs1 4849363 ZGNCZOLKPLVDBR-UHFFFAOYSA-N 373.503 4.302 0 40 FIAB COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2C)cc1OC 4893272 WJCOLOQDKDRWPQ-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COCCN(C(=O)c1ccccc1C)c1nnc(-c2ccccc2C)s1 4982458 CZYGNVWUJBJWHA-UHFFFAOYSA-N 367.474 4.115 0 40 FIAB COCc1cccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 5279196 TUWKUNJPJVXDMH-UHFFFAOYSA-N 364.372 4.422 0 40 FIAB Cc1cc(C)nc(NC(=O)c2cccc3c(Br)cccc23)n1 5961005 ZMEHDCPTNPNDHJ-UHFFFAOYSA-N 356.223 4.261 0 40 FIAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(F)cc1 6038247 GJIHQXXQWLVLRN-UHFFFAOYSA-N 364.376 4.365 0 40 FIAB N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc(Cl)c1 6240967 QMPKTSJQPZTWKF-NYYWCZLTSA-N 361.184 4.268 0 40 FIAB COc1ccccc1Nc1nnc(Sc2ncnc3sccc23)s1 7272030 YGWSNXSAIGVGDG-UHFFFAOYSA-N 373.488 4.446 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)SC(=S)N1CCCC1 7443575 QYSRPKGRYYCASF-NSHDSACASA-N 372.943 4.098 0 40 FIAB COc1ccc(-c2nc(CC(=O)Nc3cccc(F)c3)cs2)cc1OC 7813946 SNELVIHXFPWQIL-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB COc1ccccc1O[C@@H](C)C(=O)NCCSc1ccc(Cl)cc1 8496471 LSXPMRRYLUNZPB-ZDUSSCGKSA-N 365.882 4.024 0 40 FIAB CC(=O)Nc1ccccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 9533398 VSVWAOKNIADMLI-OAHLLOKOSA-N 362.429 4.054 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10503788 QTWBVRLZSXCLRC-MRXNPFEDSA-N 356.429 4.131 0 40 FIAB O=C(c1ccc(CN2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 10691118 XDIUZGGSGYWMGS-UHFFFAOYSA-N 362.517 4.377 0 40 FIAB Fc1cccc(-c2nnn(Cc3csc(-c4ccc(Cl)cc4)n3)n2)c1 11506328 HKMZRXVRUYKGOX-UHFFFAOYSA-N 371.828 4.304 0 40 FIAB CCCCc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)cc1 11689951 KFXQCZQWWGCVKH-UHFFFAOYSA-N 352.413 4.310 0 40 FIAB CCc1ccc(-c2csc(NC(=O)CSc3ccccn3)n2)cc1 11709510 FZOYMRQWKIQVTM-UHFFFAOYSA-N 355.488 4.498 0 40 FIAB CC(C)COc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1 11915551 ZZOWMBVVBLXYQE-UHFFFAOYSA-N 355.369 4.163 0 40 FIAB Cc1ccc(-n2ccnc(SCC(=O)c3cccc(Cl)c3)c2=O)cc1 12415275 ZQZAVCROQRMLPP-UHFFFAOYSA-N 370.861 4.169 0 40 FIAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cs1 12440488 KIEUUDQIRSOHRE-UHFFFAOYSA-N 374.249 4.200 0 40 FIAB Cc1nc(-c2cccc(NC(=O)CSc3nccn3C3CC3)c2)cs1 12540845 XQZVAAWPXJDSBC-UHFFFAOYSA-N 370.503 4.381 0 40 FIAB O=c1oc(-c2ccccc2OC(F)F)nc2cc(C(F)(F)F)ccc12 12619794 YYMXBBGWIGTXDR-UHFFFAOYSA-N 357.234 4.475 0 40 FIAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(CN(C)C)cc1 12748871 SEALMSPJPHAWPR-UHFFFAOYSA-N 359.473 4.049 0 40 FIAB Cc1ccccc1CCNc1ncc(-c2cnccn2)c(-c2ccoc2C)n1 13227661 LNWJRGIYSMIZNT-UHFFFAOYSA-N 371.444 4.465 0 40 FIAB COc1ccc(Cc2nn3c(-c4ccc5ccccc5n4)nnc3s2)cc1 13719408 CJCRQRRXDFKHPW-UHFFFAOYSA-N 373.441 4.000 0 40 FIAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)C(C)C 14257640 WLYFTADXDRPTHC-UHFFFAOYSA-N 352.463 4.007 0 40 FIAB C/C=C/C(=O)Nc1ccccc1C(=O)Nc1c(C)nn(CCCC)c1C 14405636 XYTUXHCHJPUDQO-UXBLZVDNSA-N 354.454 4.067 0 40 FIAB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)c1 14553448 KZMLFWQFORKRET-UHFFFAOYSA-N 369.490 4.106 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1F 15589838 AJFKBAXGMIINEQ-GOSISDBHSA-N 355.409 4.273 0 40 FIAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccccc2N2CCCC2=O)o1 16261654 HRNBHVDYNLVUQF-WAEWJHRGSA-N 350.418 4.182 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(Br)cc1 20111863 ARCHQKJHEJFLGX-QGZVFWFLSA-N 357.251 4.174 0 40 FIAB biogenic CC(C)C(NC(=O)CSCc1ccccc1Br)C(C)C 20238193 FICNDWXFRWQVAK-UHFFFAOYSA-N 358.345 4.479 0 40 FIAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1ccnc1 20459396 FIBRVRVOBHYQPK-QGZVFWFLSA-N 371.440 4.109 0 40 FIAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC(F)F)cc1)NCC2 20507010 SINHLHQOSAWPRQ-IBGZPJMESA-N 363.404 4.321 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccccc1S 21596278 XMDLEHFZERXXDR-UHFFFAOYSA-N 360.548 4.395 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCc1cccc(OC)c1 22512699 DHJOQEBSGOEZGI-FQEVSTJZSA-N 355.478 4.218 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1CNC[C@H](c1ccco1)N1CCCC1 22933795 NYNSTQNZNNDBCV-QGZVFWFLSA-N 364.921 4.021 0 40 FIAB CN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc2ccccc2c1 23324116 PUTVXKKNHJOCCX-UHFFFAOYSA-N 373.905 4.399 0 40 FIAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2nc3ccccc3o2)C1 24695124 HHEUJPHWXSGHEP-INIZCTEOSA-N 357.413 4.396 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(-c2ccn[nH]2)c1 24883084 BEGNZCJUFZSEIP-UHFFFAOYSA-N 360.442 4.381 0 40 FIAB O=C(NCc1ccc(CN2CCCCC2)cc1)NCc1ccccc1Cl 24971205 HQLFAHOPAXBBSE-UHFFFAOYSA-N 371.912 4.325 0 40 FIAB CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2cccnc2)cs1 25393129 DZJLUSLVTDBYJD-AWEZNQCLSA-N 367.474 4.024 0 40 FIAB C[C@H](Nc1ccc(Br)cc1)C(=O)Nc1cccc2ncccc12 26587877 CXTYLFDNPVBLSN-LBPRGKRZSA-N 370.250 4.436 0 40 FIAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccnc3)n2)c1 27663802 RODUQDOFTFPYPR-UHFFFAOYSA-N 370.865 4.378 0 40 FIAB CCOc1ccc2nc(NC(=O)c3cnn(-c4ccccc4)c3)sc2c1 28838094 YHCQLILUMXGADF-UHFFFAOYSA-N 364.430 4.133 0 40 FIAB COc1ccccc1NC(=O)CSCc1csc(-c2ccco2)n1 31420432 WQCXFEQPNAFBGJ-UHFFFAOYSA-N 360.460 4.284 0 40 FIAB CCc1ccc2c(CC(=O)NCCCN(C)Cc3ccccc3)coc2c1 32841721 YAJODJPKNCUUFY-UHFFFAOYSA-N 364.489 4.176 0 40 FIAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ccccc1 32910476 MNRHHEDAEDFCLN-UHFFFAOYSA-N 360.369 4.026 0 40 FIAB CCc1noc(-c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)n1 33012654 JQCQKNUAVARTLG-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB Cc1ccc2[nH]c(C(=O)NCC3CC3)c(NC(=O)c3ccc(F)cc3)c2c1 35562324 QSKDDESKFBWCGO-UHFFFAOYSA-N 365.408 4.008 0 40 FIAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1cc(Cl)ccc1F 42706909 MUHAQPGGCVSOJO-UHFFFAOYSA-N 359.788 4.007 0 40 FIAB COc1ccc(CC(=O)N2CCC(Oc3c(C)cccc3C)CC2)cc1F 46396304 JNASYGHMAIPPFR-UHFFFAOYSA-N 371.452 4.064 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 46469420 RCDFXXOSGLPJGB-INIZCTEOSA-N 364.877 4.090 0 40 FIAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccsc2)C1 48234177 BGQASLXVHNSLEG-ZBFHGGJFSA-N 374.531 4.026 0 40 FIAB Cc1nn(C)c2c1[C@H](c1cccc(OC3CCCC3)c1)SCC(O)=N2 49548859 BORRSDSIBHNOBA-SFHVURJKSA-N 357.479 4.474 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)nc1 54394394 RONGCIHWRRXKGH-UHFFFAOYSA-N 362.364 4.293 0 40 FIAB CCN(C(=O)c1sc(-c2ncccn2)nc1C)[C@H](C)c1ccc(F)cc1 55444217 AAVWTHNNCJSQSO-CYBMUJFWSA-N 370.453 4.271 0 40 FIAB COC(=O)Cc1ccc(OCc2csc(-c3ccc(F)cc3)n2)cc1 57476556 RJPCRXIQKSJTQK-UHFFFAOYSA-N 357.406 4.244 0 40 FIAB Cc1csc2nc(CN(Cc3ccsc3)c3ccccc3)cc(=O)n12 58179680 PIQRPGKLAWZFLQ-UHFFFAOYSA-N 367.499 4.333 0 40 FIAB O=C(Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1)c1ccc2ccccc2n1 58218937 WKJMBBRVVWNQLL-UHFFFAOYSA-N 355.401 4.150 0 40 FIAB CCOc1ccc(C(=O)NC(=S)Nc2cccc3ccc(C)nc23)cc1 59294526 RBWHWXDUWLIWFM-UHFFFAOYSA-N 365.458 4.069 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)nn2-c2ccccc2)c1 61720265 FHONVKGJCNMWPX-UHFFFAOYSA-N 362.433 4.206 0 40 FIAB CC(C)(C)OC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccnc1 63111089 FVPPQWXFANOJFY-SFHVURJKSA-N 374.440 4.271 0 40 FIAB O=C(NC1(Cc2ccc(Br)cc2)CCCCC1)c1ccon1 69460617 JAYYTIGWNRGWNF-UHFFFAOYSA-N 363.255 4.113 0 40 FIAB CCCc1sc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1CC 72111612 SWCOPMSBLUUHSZ-UHFFFAOYSA-N 360.498 4.365 0 40 FIAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)=O 72215032 CBZZVTDGYKEEIY-QGZVFWFLSA-N 361.486 4.307 0 40 FIAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)CC2CCCC2)CC1 72335469 BKCSWZWRVLDEDJ-UHFFFAOYSA-N 356.491 4.298 0 40 FIAB CC(C)n1ncc2c1N=C(O)C[C@@]21C(=O)Nc2c(Cl)ccc(Cl)c21 72403525 RSUISHKQOKHJIO-MRXNPFEDSA-N 365.220 4.001 0 40 FIAB CCc1noc(-c2ccc(C)c(NC(=O)[C@H](C)Oc3cccc(C)c3)c2)n1 75106093 BMFKYOJBKGCAOP-HNNXBMFYSA-N 365.433 4.322 0 40 FIAB Cc1cccc2c1N(Cc1nnc(-c3cccc(Br)c3)o1)CC2 89688977 OQJLNIXCCRSCQO-UHFFFAOYSA-N 370.250 4.370 0 40 FIAB Cc1nc(NC(=O)C2C[C@H](C)O[C@@H](C)C2)sc1Cc1ccc(F)cc1 94020034 IOLQEKYIOQFREF-RYUDHWBXSA-N 362.470 4.324 0 40 FIAB COc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C3)cc1Cn1cccn1 95992561 PINZKYJLRBFIAN-INIZCTEOSA-N 362.477 4.059 0 40 FIAB O=C(Oc1ccc(OC(=O)C2[C@@H]3CCCC[C@@H]23)cc1)C1[C@H]2CCCC[C@H]12 100026612 NXYUXWLWWNZYRE-BALXVJCKSA-N 354.446 4.370 0 40 FIAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cccc(C(=O)OC)c1 113970271 JCMZWWWSLWCKHR-KRWDZBQOSA-N 361.825 4.231 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc2ccccc2c1 219028946 JRDAZUAYPHFLFF-MSOLQXFVSA-N 363.457 4.499 0 40 FIAB COc1cccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219451642 AYIOEJJCRQNFOC-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB COC(=O)CC1CCC2(CCOc3cc(Br)ccc32)CC1 219771345 IZQIVNOPFYTHQE-UHFFFAOYSA-N 353.256 4.223 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=O)C1(c2ccccc2)CCCC1 223424306 RHNNEQXGSLOSDQ-KRWDZBQOSA-N 353.462 4.091 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c(C)c1C 224785875 DPXFQDCNVPCTRV-UHFFFAOYSA-N 359.369 4.132 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc1 225157356 BPMSYHDQQIHQRE-CQSZACIVSA-N 370.474 4.358 0 40 FIAB Cc1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(N)cc2)cc1 225312000 QVMJXEDCUURDKY-UHFFFAOYSA-N 366.486 4.281 0 40 FIAB Cc1cc(C)c(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)c(C)c1 225736876 ANGFCXCILWMRTL-UHFFFAOYSA-N 354.837 4.219 0 40 FIAB COc1ccc(CNc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 226240769 RSSFCKGRBJTAQZ-UHFFFAOYSA-N 366.383 4.163 0 40 FIAB CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(Br)c1 226261145 UPCDVVNEKVQNKZ-UHFFFAOYSA-N 362.271 4.130 0 40 FIAB Cc1cc(N)c(NC(=O)c2ccc(F)cc2)cc1N1C[C@@H](C)C[C@H](C)C1 226330491 UMQCAEVTXHHGNO-KBPBESRZSA-N 355.457 4.451 0 40 FIAB Clc1cccc(Cc2cnc([C@H]3CCCN(c4ccncn4)C3)o2)c1 257234392 GTIBMAZWKOLPGW-HNNXBMFYSA-N 354.841 4.093 0 40 FIAB Cc1cnc(C2(C)CCN(C(=O)c3cnc4ccccc4c3)CC2)s1 257333024 XZSRWNCGEQDSCP-UHFFFAOYSA-N 351.475 4.194 0 40 FIAB CC(C)c1nc(C2CCN(C(=O)[C@H]3CC[C@@H]3c3ccc(F)cc3)CC2)no1 529418210 NECAJXKKIOLJOY-MSOLQXFVSA-N 371.456 4.232 0 40 FIAB COc1ccccc1[C@H](C)CC(=O)N[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]21 529674230 KEVVHZZQOYLNSN-IUCWBQQBSA-N 355.865 4.297 0 40 FIAB O=C(O)[C@@H](c1cccc(Cl)c1Cl)N1CC[C@H](c2cccnc2)C1 573807951 FIIJOQQTIHSUMQ-BLLLJJGKSA-N 351.233 4.004 0 40 FIAB Cc1ccncc1CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C 613298482 UQYJHJUVXZHWDJ-FQEVSTJZSA-N 366.505 4.307 0 40 FIAB Cc1ccc(CC2CN(C(=O)NCc3nc4ccccc4n3C3CC3)C2)cc1 664665833 VZBDLHSOKROVRH-UHFFFAOYSA-N 374.488 4.064 0 40 FIAB Cc1cc(F)ccc1-n1cc(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)nn1 1128318422 JTTBXMMHXHSRTK-NVXWUHKLSA-N 358.461 4.050 0 40 FIAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(C)=O)cc2)cc1 623550 CMRHCAYXGHHEBU-CYBMUJFWSA-N 370.474 4.193 0 40 FIAB COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccncc1 703760 VRTOROGOBNSBOI-UHFFFAOYSA-N 371.234 4.187 0 40 FIAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)N1CCCCC1 801389 FRQCVLLYCVDDHK-UHFFFAOYSA-N 365.502 4.189 0 40 FIAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccccc4)c(=O)c23)C1 1321101 VNWQZIIRIDODTM-CQSZACIVSA-N 353.491 4.052 0 40 FIAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3)C3CCCC3)cc2c1 1359174 AVIBGPDZNWCICP-UHFFFAOYSA-N 360.457 4.422 0 40 FIAB Clc1cccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)c1 2247626 OOBYYEKKTVPWLI-UHFFFAOYSA-N 363.852 4.091 0 40 FIAB Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 2396799 OTBPDUSSQBYSAM-INIZCTEOSA-N 353.896 4.085 0 40 FIAB CC(C)CC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 3041646 WDWSFXVBUFHNRU-UHFFFAOYSA-N 353.249 4.188 0 40 FIAB Cc1nc2oc(C(=O)c3ccc(Cl)cc3)c(N)c2c2c1COC(C)(C)C2 3077642 BHCDHTHKTDHASH-UHFFFAOYSA-N 370.836 4.454 0 40 FIAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(F)c(F)c1 4033092 XQNNSYHTPNSYCS-UHFFFAOYSA-N 364.355 4.235 0 40 FIAB O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NC1CC1 4221126 VENNFHBGMNWOBB-UHFFFAOYSA-N 371.893 4.109 0 40 FIAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc(C(F)(F)F)c1 4275962 AFCDUJHJWVOHTF-UHFFFAOYSA-N 351.259 4.147 0 40 FIAB COC(=O)[C@H](C)Oc1ccc2oc(=O)c(-c3ccc(Cl)cc3)c(C)c2c1 4340653 WMTSUBVQIXBKEW-LBPRGKRZSA-N 372.804 4.362 0 40 FIAB biogenic CC[C@@H](C)NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 4657257 AUQGVXKNGBPBLB-SNVBAGLBSA-N 373.400 4.152 0 40 FIAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1 4746177 BYXOBSBAQAKJRU-FQEVSTJZSA-N 368.908 4.137 0 40 FIAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 5164930 PMYVQRNTTFHBBD-RBBKRZOGSA-N 357.413 4.333 0 40 FIAB Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc4ncsc4c3)o2)c1 5169685 VHHCHVBSJLWVOD-UHFFFAOYSA-N 350.403 4.215 0 40 FIAB Cc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)cc1C 5269374 XSBIURSWEBWNML-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(F)c1 5334693 JFBOYZFBDPRLNA-HSZRJFAPSA-N 374.415 4.016 0 40 FIAB COc1cc(NC(=O)c2ccc(C3SCCS3)cc2)cc(OC)c1 5681826 IGCZNISOBJFAMO-UHFFFAOYSA-N 361.488 4.435 0 40 FIAB CCOc1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1 5718744 FTRMDQOTSVGKQS-UHFFFAOYSA-N 364.239 4.174 0 40 FIAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1 6154571 IZZGHAPFQYKGQP-UHFFFAOYSA-N 368.842 4.018 0 40 FIAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 6982591 FFHOUNFZZWKNDK-UHFFFAOYSA-N 352.459 4.093 0 40 FIAB COc1ccc(NC(=S)NCCSCc2ccccc2F)cc1 7369391 CFRLIOIJZPNIOW-UHFFFAOYSA-N 350.484 4.054 0 40 FIAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2CCOCC2)cc1 7504781 NXUIXOVLJSFRQE-UHFFFAOYSA-N 351.233 4.082 0 40 FIAB COc1ccccc1-c1cnn2c(N3C[C@@H](C)C[C@H](C)C3)cc(C)nc12 7636243 SFFABMJRHCUJQI-GJZGRUSLSA-N 350.466 4.196 0 40 FIAB O=C(COc1cccc(F)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 7684943 HTYQUSRLNSLHTD-AWEZNQCLSA-N 370.449 4.220 0 40 FIAB C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)NC1CCCCCC1 7742921 ODTHOQKGWXRQKO-CYBMUJFWSA-N 351.516 4.437 0 40 FIAB O=C(Nc1nc2ccccc2s1)c1cc(F)ccc1Br 7808642 GMLGDCVPXAYMRQ-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB CC(C)Cn1c(SCC(=O)c2cccc(F)c2)nnc1-c1ccco1 8940580 YDMHTXVPDUQHNS-UHFFFAOYSA-N 359.426 4.308 0 40 FIAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccs1 9221453 LMALBVUWKBVNIE-IBGZPJMESA-N 366.442 4.190 0 40 FIAB COc1ccc(C(=O)C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 10464542 PNPQQAPNSJSUHC-UHFFFAOYSA-N 374.387 4.100 0 40 FIAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc(Cl)c(Cl)[nH]1 11810317 DQICWVSZGHNSOW-UHFFFAOYSA-N 355.152 4.473 0 40 FIAB CC(=O)c1cccc(NC(=O)Cc2cnc(-c3ccccc3F)s2)c1 12322215 ZJQYUNRTEUCUTR-UHFFFAOYSA-N 354.406 4.333 0 40 FIAB OCC1CCC2(CC1)CN(Cc1ccccc1F)Cc1ccccc1O2 12365619 VLBFRDMQBASYQC-UHFFFAOYSA-N 355.453 4.142 0 40 FIAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1cccc(Cl)c1 12787972 ANXUWCVMGGQERY-ZDUSSCGKSA-N 371.868 4.249 0 40 FIAB CCc1ccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)o2)cc1 14234614 DGDZFCFBNGWQFK-CJNGLKHVSA-N 359.495 4.086 0 40 FIAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cccc(Cl)c1 14728750 XKGFGUSTFMEIGD-UHFFFAOYSA-N 352.825 4.136 0 40 FIAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)o2)cc1 20197085 IXNQMXXMNILUMH-UHFFFAOYSA-N 367.474 4.262 0 40 FIAB Cc1n[nH]c(SCc2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1 20293563 KWCVGQAOPKAJPB-FMIVXFBMSA-N 350.447 4.057 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1cccc(C)c1 20460992 MVPUKSANMGATMY-QGZVFWFLSA-N 357.519 4.374 0 40 FIAB Cc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nnn1-c1ccc(F)cc1 20725978 VDDXWOFYGKPIHL-UHFFFAOYSA-N 369.787 4.009 0 40 FIAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)C(C)C 21356643 BVVBGVBJHQZTKL-SFHVURJKSA-N 367.474 4.063 0 40 FIAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1cccc2ncccc12 22644433 SVRSDBYOBBPVCW-VOTSOKGWSA-N 352.777 4.269 0 40 FIAB CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 22931815 MDFJGFSMTZUUKP-QFIPXVFZSA-N 360.505 4.116 0 40 FIAB Cc1c([C@H](C)NC(=O)c2cccnc2)cnn1-c1cccc(C(F)(F)F)c1 22989939 LIUOGLHSZSXULZ-LBPRGKRZSA-N 374.366 4.086 0 40 FIAB CC(C)(C)c1ccc(C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 23128037 STRMCTNAUNAVAB-UHFFFAOYSA-N 354.494 4.219 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)c2ccc(Br)o2)c1 24840570 KUNXUGLUXACGFI-CYBMUJFWSA-N 350.212 4.028 0 40 FIAB Cc1cc(C(C)(C)C)cc(C)c1CN(C)S(=O)(=O)c1c(C)noc1C 26398718 NEQCSYPQSIWYBS-UHFFFAOYSA-N 364.511 4.026 0 40 FIAB Cc1nc(Cc2nc3ccccc3n2Cc2c(F)cccc2Cl)no1 27792803 RXAMXRVZJDSMQZ-UHFFFAOYSA-N 356.788 4.159 0 40 FIAB Cc1cc(C)c2cc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)[nH]c2c1 28623533 KGEZMCVZUACSHX-INIZCTEOSA-N 358.445 4.461 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1nc2ccccc2s1 30972127 NXEQXQKRGNTUDG-UHFFFAOYSA-N 362.454 4.390 0 40 FIAB O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc(C(F)(F)F)cc1 32070877 UEMLOHOAHIADME-UHFFFAOYSA-N 351.353 4.134 0 40 FIAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NC1C2CC3CC(C2)CC1C3 32118794 UMNGVAGDQFSFKM-ZZXKWVIFSA-N 374.937 4.169 0 40 FIAB O=C(/C=C/c1ccccc1Cl)NCc1cccc(CN2CCCC2)c1 32462085 GRQBHBWCHXZIRU-ZHACJKMWSA-N 354.881 4.265 0 40 FIAB CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1nc2ccccc2s1 32751505 RTFKRUBRMBLESY-UHFFFAOYSA-N 354.410 4.117 0 40 FIAB Cc1ccc([C@H]2CCCN2C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1 32754131 BUXVJOUKKOLEBV-LJQANCHMSA-N 364.424 4.001 0 40 FIAB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)c1 32799233 AMHUUKIUUDYZQN-RIYZIHGNSA-N 355.781 4.411 0 40 FIAB O=C(Nc1ccc2nsnc2c1)c1cc(-c2ccc(Cl)cc2)on1 35671138 HFNODANQUSQREC-UHFFFAOYSA-N 356.794 4.252 0 40 FIAB O=C(CNc1ccc(OC(F)F)cc1)N1CCC[C@@H]1c1cccs1 39978278 MCDVBMWSACOLGZ-CQSZACIVSA-N 352.406 4.125 0 40 FIAB Cn1c2ccccc2c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 40152682 KOMBHTLTXLXQQX-UHFFFAOYSA-N 362.454 4.083 0 40 FIAB CCN(CC)CCn1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cn1 40152973 HCYGCSHAYFNJIV-UHFFFAOYSA-N 370.284 4.176 0 40 FIAB CC(=O)Nc1cccc(-n2c(C)nnc2SCc2cccc(C)c2)c1 45022655 JPDUKNRFZYAYIB-UHFFFAOYSA-N 352.463 4.135 0 40 FIAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1csc(-c2ccccn2)n1 48367661 MPERRZBTJXTPKQ-ZDUSSCGKSA-N 371.462 4.311 0 40 FIAB CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 58161293 CYULULYBLSAKGM-ZDUSSCGKSA-N 366.383 4.437 0 40 FIAB CCc1sc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1C 58174775 UJMBTGJHVOOHJT-GOSISDBHSA-N 356.535 4.261 0 40 FIAB CCCCOc1ccccc1-c1cc(C(=O)NCc2cccs2)[nH]n1 71113138 RSEWMQXDCWBKJS-UHFFFAOYSA-N 355.463 4.247 0 40 FIAB COc1ccc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1OC 71279496 WDNSTXXKFIUORM-UHFFFAOYSA-N 353.422 4.130 0 40 FIAB CCc1nc(NC(=O)CCn2cc(C(C)=O)c3ccccc32)sc1C 71284562 ASCBBNOVUZHSFS-UHFFFAOYSA-N 355.463 4.200 0 40 FIAB CC[C@H](C)Nc1ncccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213410 GUKXKLXWYDJDDO-QFBILLFUSA-N 373.522 4.126 0 40 FIAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1SC(C)(C)C 72224712 SFVPJODQXATMKR-UHFFFAOYSA-N 365.543 4.338 0 40 FIAB COc1cccc(C(=O)Nc2cc(N3CCC(C)CC3)c(N)cc2Cl)c1 72229556 GVNAQMMJBWPKQX-UHFFFAOYSA-N 373.884 4.419 0 40 FIAB Cc1ccsc1[C@@H](O)CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 75155255 BRINALFJULEVJB-INIZCTEOSA-N 363.910 4.372 0 40 FIAB Cc1ccc(C)c2c(C)c(C(=O)Nc3cccc(C[S@](C)=O)c3)oc12 78733296 NQOOIZRQQSADAW-RUZDIDTESA-N 355.459 4.489 0 40 FIAB Cc1c([C@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)oc2ccccc12 84068147 OIMCFSVTTUFJAN-ORAYPTAESA-N 366.392 4.251 0 40 FIAB C[C@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)c1cc(F)ccc1F 95962418 BHDHBRMXRZHIHO-HNNXBMFYSA-N 359.464 4.350 0 40 FIAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1cnc2ccc(F)cc2c1 95976157 CEPVRBCALDUFKS-CQSZACIVSA-N 352.409 4.086 0 40 FIAB O=C(Nc1ccc2[nH]ccc2c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 103580104 QSGYQOGAAHSIDX-SFHVURJKSA-N 357.360 4.052 0 40 FIAB COc1ccc([C@@H]2OC3=Nc4cc(Cl)ccc4NC3=C2O)c(OC)c1 104240150 VXYRYNZDBOAYHU-KRWDZBQOSA-N 358.781 4.354 0 40 FIAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108880161 JQTHEVSJBRFWGI-LBMFQQPPSA-N 360.523 4.067 0 40 FIAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1cccc(OC(F)(F)F)c1 199524829 SXLSEMQOXYFCQZ-GFCCVEGCSA-N 370.260 4.065 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC[C@@H]1CC 216166336 HTGICZVNLJPYDU-PMACEKPBSA-N 360.542 4.232 0 40 FIAB COC(=O)c1cn(C(=O)COc2ccc(Cl)cc2C)c2ccccc12 216774095 KYKFDPKWMUOGAM-UHFFFAOYSA-N 357.793 4.109 0 40 FIAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C)cc1C 222829601 VTBZCPVZYUSSQO-SFHVURJKSA-N 369.461 4.109 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cccc(C(=O)OC)c1C 222986711 DWSHSYDAWUDBPH-LJQANCHMSA-N 355.434 4.195 0 40 FIAB COc1ccc(-c2nnsc2C(=O)O[C@H](C)CCc2ccccc2)cc1 223836778 AUSFNZGKZLFKSQ-CQSZACIVSA-N 368.458 4.392 0 40 FIAB CCOC(=O)c1ccc(NC(=S)NCc2cccc(OCC)c2)c(C)c1 225440128 XRRBDTOBKSWWEU-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225749421 WLPVDILFRQIEJN-NRFANRHFSA-N 364.530 4.331 0 40 FIAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)c2ccc(C)cc2)c1 226356711 WKKTWYJMXTXVJC-UHFFFAOYSA-N 351.358 4.214 0 40 FIAB Cc1cccc(Nc2cc([C@@H]3CCCN3Cc3cscn3)ccn2)n1 257269632 MQSXBHVRDSMJLT-KRWDZBQOSA-N 351.479 4.322 0 40 FIAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)CC3CC3)CC2)n1 257287858 PRTMXNHIGXEHDW-UHFFFAOYSA-N 353.466 4.114 0 40 FIAB CC(C)Sc1ccc(CC(=O)Nc2cnn(C[C@H]3CCCCO3)c2)cc1 390826536 AGARWXOISRBNPS-GOSISDBHSA-N 373.522 4.134 0 40 FIAB Cc1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)o1 408563168 UMRWKVQSIYSKDY-UHFFFAOYSA-N 372.808 4.111 0 40 FIAB O=C(O)c1ccc(CSc2n[nH]c(C34CC5CC(CC(C5)C3)C4)n2)cc1 408583013 QWYAJYWAEJXLJQ-UHFFFAOYSA-N 369.490 4.263 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc4ccccc4c3)CC2=O)cc1C 408652014 DADVLQJWBTXBHV-LJQANCHMSA-N 359.425 4.415 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1029122 SODLSSKENSQHKQ-GFCCVEGCSA-N 363.244 4.293 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2cccc(Cl)c2)c1 1346857 YVHAYHNRODMRLK-QGZVFWFLSA-N 357.841 4.283 0 40 FIAB COc1ccc(-c2csc(CCNC(=O)Nc3ccccc3)n2)cc1 1415042 IVGYAARSGAXEDD-UHFFFAOYSA-N 353.447 4.183 0 40 FIAB O=C(C(=O)c1ccccc1Br)c1ccccc1Br 2567515 QYBUJGSLRBEAFT-UHFFFAOYSA-N 368.024 4.277 0 40 FIAB Cn1c([C@@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)nc2ccccc21 2721574 SQZCMGDVNMGDMG-HXUWFJFHSA-N 373.431 4.426 0 40 FIAB Cc1cc(C)n2c(SCc3ccc(C(=O)c4ccccc4)cc3)nnc2n1 2815047 GWHMRPRMYRJABK-UHFFFAOYSA-N 374.469 4.264 0 40 FIAB O=C(NC(=S)N(Cc1ccccc1)c1ccccn1)C1CCCCC1 3304790 DHIFCIKYDUTGMR-UHFFFAOYSA-N 353.491 4.070 0 40 FIAB c1cncc(-c2nc(Nc3ccc4c(c3)OCCO4)c3ccccc3n2)c1 3416469 YLQBBFIKTYKGJU-UHFFFAOYSA-N 356.385 4.207 0 40 FIAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CCC1CCCC1 4033123 WEAUCQULKGXJOW-UHFFFAOYSA-N 364.449 4.314 0 40 FIAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)N[C@@H]1CCCc2ccccc21 4828512 YXEXDOUGOCZCFA-SWLSCSKDSA-N 369.446 4.004 0 40 FIAB Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 4967878 AXCAIKJCWLCXTQ-KRWDZBQOSA-N 365.502 4.138 0 40 FIAB Cc1ccc(-n2ncc3c2ncn2c(-c4cccc(Cl)c4)nnc32)cc1 5206477 FFHWQMHDOCWLPZ-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB C[C@H](Sc1nccn1-c1cccc(F)c1)C(=O)NCC1CCCCC1 5263584 YTSLWXQFEYIYGO-AWEZNQCLSA-N 361.486 4.189 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 5333636 VZNRHWYEVNMDOA-LBPRGKRZSA-N 373.474 4.311 0 40 FIAB O=C1C=C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 5706357 DJMNCMLWSQKCGK-QFIPXVFZSA-N 356.421 4.477 0 40 FIAB Cc1ccc(-c2csc3[nH]c(=S)n(C[C@@H]4CCCO4)c(=O)c23)cc1 6506470 OOORYHQKUKLTLM-ZDUSSCGKSA-N 358.488 4.275 0 40 FIAB O=C(CCc1nnc(-c2ccccc2)o1)OCc1c(F)cccc1Cl 6586033 QXSRYZURPNEQCH-UHFFFAOYSA-N 360.772 4.205 0 40 FIAB CCn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1ccco1 6647592 DCNNLFJJQZACBX-UHFFFAOYSA-N 353.403 4.279 0 40 FIAB CSC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)N=C1c1ccc(C)cc1 6817200 KYEFJBKKXFVXCI-UHFFFAOYSA-N 373.522 4.286 0 40 FIAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NCC1CCCCC1 6890085 OBEZJADGPATMQO-UHFFFAOYSA-N 367.445 4.332 0 40 FIAB Cc1ccsc1/C=C1/CN(C)Cc2c1nc1ccccc1c2C(=O)O 7109753 MSXIHHSHRIPLMZ-LCYFTJDESA-N 350.443 4.289 0 40 FIAB Cc1cc(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)no1 7122689 UFINMOFBQQJVFR-UHFFFAOYSA-N 373.434 4.379 0 40 FIAB O=C(CCCc1c[nH]c2ccccc12)OCc1nc(-c2cccs2)no1 7339370 KBLUOTFBYHAYAM-UHFFFAOYSA-N 367.430 4.346 0 40 FIAB Nc1c(C(=O)N2CCCCCC2)sc(=S)n1-c1ccc(F)cc1 7499901 YUENCEYDVJEAGP-UHFFFAOYSA-N 351.472 4.006 0 40 FIAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7882478 CPJFKXKGGDHQDS-HNNXBMFYSA-N 364.832 4.485 0 40 FIAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 7928693 WQAVQVVPMHLXJS-HXUWFJFHSA-N 371.436 4.236 0 40 FIAB O=C([C@@H](Sc1nnc(-c2ccco2)o1)c1ccccc1)N1CCCCC1 8750902 DULQAZJOHSYDFK-INIZCTEOSA-N 369.446 4.176 0 40 FIAB CN(C)C(=O)c1ccc(NCCC(=O)c2ccc(C(C)(C)C)cc2)cc1 8783567 WCUFWDWRDBMLSL-UHFFFAOYSA-N 352.478 4.371 0 40 FIAB Cc1ccc2oc(C(=O)NCCSc3c[nH]c4ccccc34)cc2n1 8798752 RVYQJDYMGOXABN-UHFFFAOYSA-N 351.431 4.140 0 40 FIAB CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)c1ccccc1Cl 9304041 YFHVOMQQPKSXCK-UHFFFAOYSA-N 370.840 4.023 0 40 FIAB CC(C)CN(CC(C)C)C(=O)COCc1cc(-c2ccc(F)cc2)on1 9436273 YODDEHOKSDHSIC-UHFFFAOYSA-N 362.445 4.138 0 40 FIAB Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3N3CCCC3)nc2c1 9516740 FUKSWNOWKLWAJP-UHFFFAOYSA-N 366.490 4.202 0 40 FIAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2cnc3ccccc32)cc1 9833340 LRIJASOGHCVPJP-LJQANCHMSA-N 369.424 4.279 0 40 FIAB Cc1cccc(C)c1OCC(=O)Nc1ccccc1OCC(F)(F)F 10115655 FGGIHXQZBNEYEO-UHFFFAOYSA-N 353.340 4.262 0 40 FIAB Cc1ccc2oc(C(=O)Nc3ccc(N4CCCC4)c(C)c3)cc(=O)c2c1 11325896 MPQGKOGPJOYMKO-UHFFFAOYSA-N 362.429 4.262 0 40 FIAB COc1ccc2nc(-c3ccc(F)c(NC(=O)CC4CCCC4)c3)cn2n1 11693536 BKDSPWBFCCGAHZ-UHFFFAOYSA-N 368.412 4.063 0 40 FIAB Cc1cc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc(C)n1 12016773 BYWFOYRIWOZLNQ-JTQLQIEISA-N 355.385 4.232 0 40 FIAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3nc4ccccc4s3)c12 12600131 UDIRKHAYWUQZSC-UHFFFAOYSA-N 350.403 4.271 0 40 FIAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(C)nn(CC(C)C)c1Cl 12972059 PXKDIDTVCQFDSV-CYBMUJFWSA-N 363.889 4.309 0 40 FIAB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cccc(O)c3)C[C@@H]21 13036466 GLPQSXIHKBSCBM-SIKLNZKXSA-N 373.412 4.038 0 40 FIAB O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccncc1 13735719 IEPUMFJQDUGDOD-UHFFFAOYSA-N 371.440 4.114 0 40 FIAB O=C(OCc1cccc(F)c1F)C1CCN(c2nc3ccccc3o2)CC1 14147704 CJCNYQOPVFTWNH-UHFFFAOYSA-N 372.371 4.066 0 40 FIAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1OC 14651881 IXBBCSRIHRKXHN-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB O=C(CN1CCc2sccc2C1)Nc1ccc(SC(F)F)cc1 14779068 LDBYNMOUEFXUHS-UHFFFAOYSA-N 354.447 4.060 0 40 FIAB CCOc1ccc(S(=O)(=O)N(CC)Cc2ccccc2)c2ccccc12 16780588 WLXUSQBSSGWABM-UHFFFAOYSA-N 369.486 4.449 0 40 FIAB O=C1[C@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1C1CCCCC1 16957205 LVDKTQXCQGIPRP-GDBMZVCRSA-N 366.939 4.216 0 40 FIAB COc1ccc2c(c1)C[C@@H](c1cccnc1OC)N[C@H]2c1ccc(F)cc1 19562609 PSUMRAXQWOXPDV-SFTDATJTSA-N 364.420 4.214 0 40 FIAB CC[C@H](C)C(=O)O[C@@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 23519919 UMJMHUJYYIQNAG-IFXJQAMLSA-N 353.418 4.158 0 40 FIAB Cc1cccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 26020581 KAQWWBVPQRGSJR-UHFFFAOYSA-N 368.440 4.173 0 40 FIAB CCN(C(=O)Cc1cnn(-c2ccccc2)c1)c1nc2ccccc2s1 26908865 NBPNQCINWZLQTK-UHFFFAOYSA-N 362.458 4.078 0 40 FIAB CCOc1ccc(-n2c(SCc3noc(C)n3)nc3ccccc32)cc1 27444696 XGCKWAKJEXGIQB-UHFFFAOYSA-N 366.446 4.408 0 40 FIAB COc1cc(Cl)c(S(=O)(=O)NCCC2=CCCCC2)cc1Cl 28295936 PYXRFXICDVZWEX-UHFFFAOYSA-N 364.294 4.171 0 40 FIAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)[C@H]1C[C@@H]1c1ccccc1 32610599 JIUNWDOLXSHIIR-SJORKVTESA-N 369.827 4.466 0 40 FIAB CCOCCCNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 32610777 PUBNXIDSKCCGMJ-UHFFFAOYSA-N 359.466 4.313 0 40 FIAB O=C(c1ccc2ccccc2c1O)N1CCN(c2cccc(Cl)c2)CC1 32727008 VJRMHTYVVXLKFQ-UHFFFAOYSA-N 366.848 4.161 0 40 FIAB CCn1cc(CNc2nc(-c3ccc(C)s3)cc(C(F)(F)F)n2)cn1 36613194 OCTOYLXYJYNBTN-UHFFFAOYSA-N 367.400 4.361 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2c(F)cccc2Cl)cc1OC 40087659 FUCZSZJXUMDDFE-LLVKDONJSA-N 351.805 4.377 0 40 FIAB O=C(Cc1ccc(F)cc1)N1CCC(Oc2nc3ccccc3s2)CC1 49430964 QVHBAUDUAWGWSJ-UHFFFAOYSA-N 370.449 4.048 0 40 FIAB O=C(NCCCn1ccnc1)c1ccccc1SCc1cccs1 52817881 PFDKOVSWIHWVKR-UHFFFAOYSA-N 357.504 4.057 0 40 FIAB O=C1c2ccccc2N[C@H](c2ccccc2OC(F)F)N1c1ccncc1 54702419 FRLRFAKVHPSEFE-SFHVURJKSA-N 367.355 4.454 0 40 FIAB COc1ccccc1C(=O)NCC1(c2cccc(Br)c2)CCC1 58406641 GVJCIRKJCZTJIY-UHFFFAOYSA-N 374.278 4.309 0 40 FIAB O=C1C[C@@H](C(F)(F)F)c2sc(C(=O)O)c(-c3cccc(F)c3)c2N1 66089626 XSJJXJMODYQWRP-MRVPVSSYSA-N 359.300 4.241 0 40 FIAB CC(C)[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F 67319110 WSTRFIXCEYFMSI-NSHDSACASA-N 357.322 4.379 0 40 FIAB Cc1ccc(C2(C(=O)Nc3c(C)nn(C(C)C)c3C)CCOCC2)cc1 72265186 SMLPHTPIPKYGSN-UHFFFAOYSA-N 355.482 4.076 0 40 FIAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3cccnc3)N1CC2 72342186 OJAGPSSJVXJAAQ-XZOQPEGZSA-N 373.456 4.171 0 40 FIAB CC(=O)N1CCc2sccc2[C@H]1c1ccccc1NCc1cccnc1 72343184 QZGRPZYHXLZUCP-OAQYLSRUSA-N 363.486 4.249 0 40 FIAB COc1cccc(NC2=NC(=O)S/C2=C\c2ccc3nccnc3c2)c1 72401932 KGPKGWYJBTWAMA-YVLHZVERSA-N 362.414 4.357 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)NCc2nc(-c3ccccc3)no2)cc1 78579427 LPWXNPQKYXAJRW-UHFFFAOYSA-N 363.461 4.283 0 40 FIAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cn3cncn3)cc2)cc1 79475068 KKKRXVUCANOZSA-QGZVFWFLSA-N 362.477 4.267 0 40 FIAB O=S(=O)(N[C@@H]1CCc2c(Cl)cccc21)C1=Cc2ccccc2CC1 84581790 SAQRCIWCTDUKQM-LJQANCHMSA-N 359.878 4.234 0 40 FIAB COc1cccc2cc([C@@H]3CC(c4ccco4)=NN3C(C)=O)c(Cl)nc12 89930436 STPKJPSJGDSJNK-HNNXBMFYSA-N 369.808 4.187 0 40 FIAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1Br 95385639 VMRDFGIKKDHOLO-AWEZNQCLSA-N 371.282 4.223 0 40 FIAB COc1cc(NC(=O)c2cc(F)cc3cccnc23)c(OC)cc1Cl 95453238 JRGGIJIFDGPVRE-UHFFFAOYSA-N 360.772 4.297 0 40 FIAB COc1ccc2nc(NC(=O)[C@@]34CC[C@](C)(C(=O)C3)C4(C)C)sc2c1 100867288 SUQVCRMGXKGOGN-RTBURBONSA-N 358.463 4.029 0 40 FIAB Fc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 105224553 LWPPBYPDKYKGEC-UHFFFAOYSA-N 362.817 4.016 0 40 FIAB COc1cc(F)ccc1NC(=O)c1cn(C)nc1-c1ccccc1Cl 108689507 RFQYURWCLLGLNF-UHFFFAOYSA-N 359.788 4.141 0 40 FIAB C[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 109010623 FBMQDKXUHHBONW-OGNFBWPZSA-N 366.461 4.194 0 40 FIAB O=C(OC1CCOCC1)N1CCS[C@@H](c2ccccc2Cl)CC1 207000054 YMRNHGBACRQEHG-MRXNPFEDSA-N 355.887 4.136 0 40 FIAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc(OC)c2)cc1 219357260 GQDJXSQTQFGZRI-OAQYLSRUSA-N 371.477 4.000 0 40 FIAB Cc1nc2ccccn2c1C(=O)N1CCS[C@H](c2cccs2)CC1 219498958 OWOCVYXNBPHXIJ-HNNXBMFYSA-N 357.504 4.025 0 40 FIAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 223333552 WBIGEZBHWVHVBZ-MOPGFXCFSA-N 366.490 4.230 0 40 FIAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223474651 RSNDPLKFVJFKGK-NRFANRHFSA-N 370.468 4.078 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC1CCCC1 224364901 CXGIUXKWUXVPRP-GOSISDBHSA-N 364.917 4.306 0 40 FIAB CCCCNC(=O)c1ccc(OCC)c(COc2cccc(OC)c2)c1 224584296 RZBUVRNOXCICMM-UHFFFAOYSA-N 357.450 4.203 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1Cl 224621762 PJXRDOQSUMFSML-MRXNPFEDSA-N 368.260 4.346 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 224868592 OHIHOGRNGNLELP-QFBILLFUSA-N 371.477 4.355 0 40 FIAB CCCSc1nnc(NC(=O)CSCc2cccc(C)c2)s1 224875892 JVKKGHXYAHKHBX-UHFFFAOYSA-N 353.538 4.221 0 40 FIAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)[nH]1 224915082 ITSSZGXHYBBQKD-OALUTQOASA-N 366.465 4.343 0 40 FIAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(N3CCCC3=O)c2)c(C)c1 225478657 GQPNPMRUNLNODQ-INIZCTEOSA-N 367.518 4.478 0 40 FIAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 225792340 OZVMBKDLUMMLND-JKSUJKDBSA-N 353.462 4.219 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)cc1C 225818462 ZEEIAYCHHHWODM-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB COc1ccc(C)cc1NC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917946 FWHDPAXHXVOHEC-UHFFFAOYSA-N 362.433 4.406 0 40 FIAB Cc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)s1 306136305 PPOTZHSXJKDTSL-IBGZPJMESA-N 371.531 4.156 0 40 FIAB O=C(CCSc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 408573344 BXJXLJNGRUWJSP-JXMROGBWSA-N 366.530 4.026 0 40 FIAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccccc1 408944876 JTYDXRVJUYJMJL-UHFFFAOYSA-N 368.820 4.210 0 40 FIAB Cc1nc(CC2CC2)oc1C(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 514206238 MLCZRKCQJHVUHI-ZDUSSCGKSA-N 356.388 4.130 0 40 FIAB CCCOc1cccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c1 526052411 JOQRLOGAGCBVPV-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB O=C(CCCCCn1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 604419745 WVMMVVOBTXIKCM-IBGZPJMESA-N 350.466 4.289 0 40 FIAB O=C1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2CCOc2ccc(F)cc2N1 1534646077 ALXIBKNDLUKJMY-GJZGRUSLSA-N 374.481 4.137 0 40 FIAB O=C(Cc1ccc(F)cc1Cl)Nc1ccc(-c2ccccc2F)nn1 1537615611 CCHRSIXDIGXIHR-UHFFFAOYSA-N 359.763 4.256 0 40 FIAB COC[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 1540172423 AAAPMDKSUOQRHY-QYZOEREBSA-N 361.844 4.477 0 40 FIAB CC(C)C[C@@]1(C)CCCN1C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 1543968338 JAHJIZZKKRTNAA-QGZVFWFLSA-N 368.403 4.028 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@]2(C)CCOc3ccccc32)c1C(C)C 1652515144 YHAQLVPWFSJMHN-OAQYLSRUSA-N 354.450 4.077 0 40 FIAB Cc1nc(NCC(C)C)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 779511 AXWZVXPWRURFGS-UHFFFAOYSA-N 356.495 4.467 0 40 FIAB CC[C@@H](C)OC(=O)[C@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 783687 XNFDIMOGCQLTHD-OLZOCXBDSA-N 356.447 4.028 0 40 FIAB COc1ccc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)cc1 784671 QLPNTCNVKOXIMP-UHFFFAOYSA-N 373.503 4.356 0 40 FIAB O=C(COc1ccccc1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 844004 NFWSKUBJSFESOO-UHFFFAOYSA-N 371.392 4.478 0 40 FIAB Cc1cc(Cl)ccc1OC(=O)COc1cccc(Br)c1 946442 JAZJYJMRVVDRSF-UHFFFAOYSA-N 355.615 4.395 0 40 FIAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C)c3)o2)cc1 976162 YVBIPCMQVBFDCK-ZDUSSCGKSA-N 369.446 4.173 0 40 FIAB C[C@H]1CN(C(=O)c2ccccc2)O[C@H](c2ccc(Cl)cc2Cl)O1 1026860 BDYRJVFUMVKXBZ-APPDUMDISA-N 352.217 4.485 0 40 FIAB Cn1c(SCc2cccc(C(F)(F)F)c2)nc(C(F)(F)F)cc1=O 1400823 VXIXFFQAMDPVBG-UHFFFAOYSA-N 368.302 4.110 0 40 FIAB CC1(C)C2=C(Cl)[C@@H](O)[C@](Cl)(c3ccccc3)C(=O)N2c2ccccc21 2570555 IPYGTHFYUOHJQC-YLJYHZDGSA-N 374.267 4.270 0 40 FIAB COc1cc(C)ccc1OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 2650926 ZMPRJMLDSCOTIV-UHFFFAOYSA-N 371.767 4.276 0 40 FIAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 2794111 CJKYOJFCHAANLM-MLGOLLRUSA-N 365.399 4.040 0 40 FIAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)cc1 2796143 GPXKCNGBHCQPKY-UHFFFAOYSA-N 364.376 4.339 0 40 FIAB Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3ccccc3s2)n1 3215461 KZGSFQVRCGPHEY-UHFFFAOYSA-N 352.394 4.182 0 40 FIAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl 3298508 GXZOHQLGCGECKV-UHFFFAOYSA-N 357.624 4.015 0 40 FIAB CN(CC(=O)Nc1ccccc1Br)Cc1ccc(Cl)cc1 3403777 QHDZOUKETYJBPK-UHFFFAOYSA-N 367.674 4.173 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C12CC3CC(CC(C3)C1)C2 4018828 CODAXLRJLVYQPK-ZSPWYYDASA-N 364.533 4.346 0 40 FIAB biogenic C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1Oc1ccccc1 4978704 ZZQHUSXVUOSXRY-IRXDYDNUSA-N 367.445 4.425 0 40 FIAB CCOc1ccc([C@H]2c3cccn3CCN2C(=O)NC2CCCCC2)cc1 5256200 JWISVTLGHJVIHP-NRFANRHFSA-N 367.493 4.334 0 40 FIAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)CC[C@H](c2ccccc2)[C@@H]1C(=O)O 5332726 IEYXJQVIWCATHW-ZRNYENFQSA-N 352.430 4.228 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1c2ccccc2C[C@@H]1C 5578552 UUGCZBRVXGPDRQ-ZDUSSCGKSA-N 351.837 4.426 0 40 FIAB COc1ccc(CC(=O)OCc2csc(-c3ccccc3)n2)cc1OC 6424263 QSMLVJHBGYLHOA-UHFFFAOYSA-N 369.442 4.113 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)OCc1nnc(-c2ccccc2)o1 6558199 JJCCFRUSPXBJKY-OUKQBFOZSA-N 357.369 4.041 0 40 FIAB C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 6586218 YDNOWTUPSNIEFG-APWZRJJASA-N 365.477 4.046 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 6592508 KYHNOEANJUZNSO-CQSZACIVSA-N 359.397 4.189 0 40 FIAB CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(C(C)(C)C)cc1 7001584 SGEXDJDHIKWPMU-UHFFFAOYSA-N 361.511 4.306 0 40 FIAB CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 8130962 RWWSJNQXLHLNQT-CYBMUJFWSA-N 364.848 4.337 0 40 FIAB Cc1cc(OCC(=O)OCCCC(=O)c2ccc(F)cc2)ccc1Cl 8276704 DAAIBHYQHDHLGY-UHFFFAOYSA-N 364.800 4.373 0 40 FIAB C[C@H](Oc1ccccc1)c1nn2c(COc3ccc(F)cc3)nnc2s1 8393452 TUUJCVIYOWYCTF-LBPRGKRZSA-N 370.409 4.044 0 40 FIAB O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccc(Cl)cc1 8708783 KCZSWFPXADRMNT-UHFFFAOYSA-N 358.800 4.383 0 40 FIAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 9062565 YDENHYKSRLQUJA-SFHVURJKSA-N 366.505 4.093 0 40 FIAB COc1ccc(-c2nnc3n2N=C(c2c(C)cc(C)cc2C)CS3)cc1 9288983 CBPYUFHBBWQUCO-UHFFFAOYSA-N 364.474 4.237 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(NC(C)(C)C)s1 9446372 ZMXRXZPTZJZDNE-GFCCVEGCSA-N 364.540 4.485 0 40 FIAB CC(=O)Nc1scc(-c2cccs2)c1C(=O)O[C@H]1CCCCC1=O 10152559 UDILFRMYYDKJRE-ZDUSSCGKSA-N 363.460 4.104 0 40 FIAB Cc1ccc2cccc(OCC(=O)N[C@H](c3cccs3)C(C)C)c2n1 10900727 JDJDNUSWPVTYAQ-IBGZPJMESA-N 354.475 4.497 0 40 FIAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccc2cccnc12 11418214 SLNCPWJHVIAQCK-UHFFFAOYSA-N 365.820 4.267 0 40 FIAB CCn1/c(=N\C(=O)c2cccc(Br)c2)sc2ccccc21 12180872 QMHSHOLGKHFVAY-FBMGVBCBSA-N 361.264 4.226 0 40 FIAB Cc1cc(CNC(=O)c2c(-c3ccncc3)noc2C)c2[nH]c(C)c(C)c2c1 12203547 DGKSBGHOPHYHCM-UHFFFAOYSA-N 374.444 4.382 0 40 FIAB C[C@@H](NC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21)c1ccco1 12220897 JMOVIQUTLNAQNE-CQSZACIVSA-N 363.392 4.313 0 40 FIAB CC1(C)[C@]2(C(=O)Nc3ccc(F)cc3Br)CC[C@@]1(C)C(=O)C2 12402058 FGYMPQQTTTUHCE-DLBZAZTESA-N 368.246 4.312 0 40 FIAB COC(=O)c1sccc1NC(=O)c1cc(Br)ccc1Cl 12765833 DOLOSRXBNYVEOH-UHFFFAOYSA-N 374.643 4.203 0 40 FIAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 12893974 GSPRVOKFULMXAY-UHFFFAOYSA-N 374.487 4.127 0 40 FIAB CN(C)[C@@H](CNC(=O)c1ccc(SC(F)F)cc1)c1cccc(F)c1 12952822 VNRHUKKBWXPUJN-INIZCTEOSA-N 368.424 4.173 0 40 FIAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H](C)c1ccc(F)cc1F 12977505 CZJXQJVHGJIDLX-JTQLQIEISA-N 364.417 4.174 0 40 FIAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(C)C)CC1=O 13757823 WHGWHFHLJQRSLP-INIZCTEOSA-N 363.461 4.221 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@H](C)c3cccs3)o2)c1 14136013 ISGKDYSIQAQPLZ-CYBMUJFWSA-N 373.503 4.384 0 40 FIAB C[C@]12CC[C@H]3c4cc(Br)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 15022933 SORISAYAZBCIQH-LRKKAQBJSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1cccc(Cl)c1 15838885 YYJLXPUEDFEBPL-UHFFFAOYSA-N 354.837 4.232 0 40 FIAB CC(C)(C)c1cc(NC(=O)COC(=O)c2occc2-c2ccccc2)on1 16537969 GPZNWJZHJPJOCJ-UHFFFAOYSA-N 368.389 4.028 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc2ccccc2s1 18947935 XWRASLUXGXJLJR-UHFFFAOYSA-N 356.495 4.337 0 40 FIAB COc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)c(OC)c1 19552537 QUWMNCZBJKYRLR-INIZCTEOSA-N 360.504 4.295 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20141710 RPZPNCIYNFZLGL-UHFFFAOYSA-N 351.402 4.398 0 40 FIAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(OC(C)C)cc2)c1 20481532 YBELHFPKHBCIJJ-GOSISDBHSA-N 355.478 4.483 0 40 FIAB COc1ccc(NC(=O)c2ccc3ncsc3c2)cc1OC(F)F 23874081 JHIIHUOGZMUTRH-UHFFFAOYSA-N 350.346 4.159 0 40 FIAB COc1ccc2nc(C)c(C(=O)N(C)[C@@H](C)c3ccccc3OC)cc2c1 25330802 OMTWAUWSFZKCMP-HNNXBMFYSA-N 364.445 4.394 0 40 FIAB COc1ccc([C@@H](NC(=O)CN2c3ccccc3CC[C@@H]2C)C2CC2)cc1 26466230 KFPHCNKDXGQSNI-HJPURHCSSA-N 364.489 4.104 0 40 FIAB CCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 27756078 QONXVPLEKOGVSZ-UHFFFAOYSA-N 357.793 4.406 0 40 FIAB O=C(Nc1nnc(-c2ccncc2)s1)C(c1ccccc1)c1ccccc1 28304059 HHVZJBSQGDVVCE-UHFFFAOYSA-N 372.453 4.371 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(O)N1 28465509 LDDVGFMXBQIODM-SFHVURJKSA-N 365.820 4.233 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc(Cl)ccc2o1 32747463 IHSYOHIMGPDRQW-UHFFFAOYSA-N 356.809 4.175 0 40 FIAB Cc1nn(C)c2ncc(NC(=O)Cc3coc4ccc5ccccc5c34)cc12 32899792 QNBZAYGDWVLEAO-UHFFFAOYSA-N 370.412 4.357 0 40 FIAB COc1cc(OC)c2[nH]c(C(=O)Nc3nc4ccccc4s3)cc2c1 32906236 KBUXNLWRJDKIFN-UHFFFAOYSA-N 353.403 4.047 0 40 FIAB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cc2NC1=O 32970133 BZVQTBXEKRWMNG-SLEUVZQESA-N 370.474 4.108 0 40 FIAB O=C(O)CC/C(=C/c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 33392624 FLBCWVAYBYHMRH-KAMYIIQDSA-N 367.426 4.473 0 40 FIAB CC(=O)Nc1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1Cl 36391639 WTPJJAUCYXPIJI-UHFFFAOYSA-N 360.841 4.323 0 40 FIAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 36621031 PSLPAYPXVWFUMO-NRFANRHFSA-N 355.503 4.400 0 40 FIAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccsc2)NC(=S)N1C1CC1 36785772 QLXMVWYHRWCIAH-KRWDZBQOSA-N 369.515 4.054 0 40 FIAB c1ccc(-n2cc(CN(Cc3cccs3)C[C@@H]3CCCO3)cn2)cc1 40024169 GCZPITQAIABAJH-IBGZPJMESA-N 353.491 4.115 0 40 FIAB COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1OCc1cccnc1 40087960 XZQVRVLKNUEYGX-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB Cc1cc(N2CCCC2=O)ccc1Cc1ccc(N2CCCC2=O)cc1C 40546348 ZEZGLSSSYDPCBS-UHFFFAOYSA-N 362.473 4.148 0 40 FIAB CN(C(=O)c1cccc(NC(=O)OCC(F)(F)F)c1)c1ccccc1 48252060 JVCKTSRIDOFQMF-UHFFFAOYSA-N 352.312 4.074 0 40 FIAB Cc1nn(C)c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 48345816 QLXQLGAVIAKEIA-LJQANCHMSA-N 359.489 4.402 0 40 FIAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Cl)ccc1F 58112409 XZCSXSHBEWRQHM-UHFFFAOYSA-N 351.790 4.162 0 40 FIAB O=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc(Br)cc1 59475106 FBDRZWUZIFRPFZ-UHFFFAOYSA-N 367.626 4.071 0 40 FIAB NC1=N[C@H]([C@H](O)c2ccccc2)[C@H](c2ccc(Cc3ccccc3)cc2)S1 59500962 YERVHPOPRCNVGW-VSKRKVRLSA-N 374.509 4.482 0 40 FIAB O=c1ccc(-c2ccccc2)nn1Cc1coc(-c2ccccc2Cl)n1 65512742 GIWCVUUXZWAIJK-UHFFFAOYSA-N 363.804 4.267 0 40 FIAB CC(C)[C@H](NC(=O)Cc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 65850512 RWZXZEONEOKXQS-NRFANRHFSA-N 360.461 4.111 0 40 FIAB CC(C)c1nccn1-c1nccnc1[C@H]1CCCN1CCc1ccccc1 72359246 GZCBYYKDEWLJKI-LJQANCHMSA-N 361.493 4.165 0 40 FIAB Cc1cnc2[nH]c(C3CC3)c(CN(C)C[C@H]3COc4ccccc4O3)c2c1 72395256 FHFMGQIXRQUXAC-INIZCTEOSA-N 363.461 4.021 0 40 FIAB COc1cc(Cl)cc(C(=O)C(F)(F)F)c1NC(=O)OC(C)(C)C 95917782 RAYXECGTGXRAOT-UHFFFAOYSA-N 353.724 4.441 0 40 FIAB CSc1ccc([C@@H](O)CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 96103317 ZLYODQVSDADXPV-HNNXBMFYSA-N 370.396 4.282 0 40 FIAB CC(=O)N1CCC(c2cc3c(ncn3C(C)C)c(-c3ccccc3)n2)CC1 96267168 WWXWYVBRYBFFPK-UHFFFAOYSA-N 362.477 4.405 0 40 FIAB Fc1ccc(C2=C[C@H](c3ccc(Cl)c(Cl)c3)n3nnnc3N2)cc1 102175047 BCZQDSVMIRBDSI-OAHLLOKOSA-N 362.195 4.175 0 40 FIAB O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1ccc(OC(F)(F)F)cc1 201288301 NZCIERGEBDRVAX-UHFFFAOYSA-N 362.229 4.236 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)c(Cl)c1Cl 224612885 MALGGTPMGDQJIE-UHFFFAOYSA-N 374.289 4.444 0 40 FIAB O=C(COc1cccc2c1CCCC2)N1CCC(Cc2ccccc2)CC1 225831856 BQVGSIPFGVCFQY-UHFFFAOYSA-N 363.501 4.426 0 40 FIAB CC[C@@H](C)NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257222659 DUFGWHZQEUPELV-QGZVFWFLSA-N 352.478 4.003 0 40 FIAB CC(C)COC(=O)NCCC(=O)Nc1ccc2c(c1)oc1ccccc12 409002706 PEHNCMMASYGGTO-UHFFFAOYSA-N 354.406 4.297 0 40 FIAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1Cl 559432011 NVMUEIJIDYKRKC-UHFFFAOYSA-N 362.763 4.246 0 40 FIAB O=C(NC[C@H]1COc2ccccc21)NC(c1ccccc1)c1ccccc1 584637979 IGDWOORUXCRPOD-IBGZPJMESA-N 358.441 4.251 0 40 FIAB C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H](n2ccnn2)CC1 639816324 DJFFQFZGCZFPLB-YOEHRIQHSA-N 371.872 4.375 0 40 FIAB C[C@@H]1CC(C)(C)N(C(=O)c2cn(C)nc2C(F)F)c2ccc(F)cc21 1565504663 RNKGQPALTGEBLK-SNVBAGLBSA-N 351.372 4.429 0 40 FIAB Cc1cc(OCC2CCN(C(=O)c3cc(F)cc(Cl)c3)CC2)ccn1 1775968313 YEIFLFIMKJXXIV-UHFFFAOYSA-N 362.832 4.114 0 40 FIAB Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3cncs3)cs2)nc1 1848353805 UEADVZURFXNRPG-HNNXBMFYSA-N 357.508 4.384 0 40 FIAB Cc1ccc(C)c(N2C(=O)N(CC3CCC3)c3ccccc3S2(=O)=O)c1 1889098097 NKWHCVXGPMBJKN-UHFFFAOYSA-N 370.474 4.239 0 40 FIAB Cc1cc(OC[C@]2(O)CCCN(Cc3ccccn3)CC2)cc(C)c1Cl 2037912023 CLQSWMPVLWDJMV-NRFANRHFSA-N 374.912 4.148 0 40 FIAB Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 538026 AGAHNABIDCTLHW-UHFFFAOYSA-N 355.453 4.081 0 40 FIAB in-man CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@H](c2ccccc2F)NC(=O)N1 867198 CQOSVWAWJYQYEU-KRWDZBQOSA-N 373.815 4.054 0 40 FIAB Cc1cccc(CN2C(=O)[C@@](O)(CC(=O)c3ccccc3)c3ccccc32)c1 1320488 YOMPBIPKRUCYJU-XMMPIXPASA-N 371.436 4.002 0 40 FIAB CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 2083285 JTZTZZVWEJMKLI-ZFBQMQJZSA-N 374.521 4.012 0 40 FIAB biogenic CCc1nc(SCC(=O)Nc2nccs2)c2oc3ccccc3c2n1 2390677 JTCAYHUXIRSCPN-UHFFFAOYSA-N 370.459 4.126 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)cc1OC 2661041 SFNDUZMLZKSTGA-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 3510430 RCPQRXSNKHRFBL-NSHDSACASA-N 368.658 4.359 0 40 FIAB O=C(Nc1nc2c(Cl)cccc2s1)c1cc2ccccc2oc1=O 4079228 JOQITSMOBWVWAD-UHFFFAOYSA-N 356.790 4.308 0 40 FIAB O=C(C1CCCC1)N1CCN=C1SCc1ccc(Br)cc1 4119981 BGVDCHPKPVAFJN-UHFFFAOYSA-N 367.312 4.071 0 40 FIAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)c1 4142664 IHCHGRYZJVJEKL-UHFFFAOYSA-N 350.374 4.042 0 40 FIAB CCOP(=O)(OCC)N1[C@@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 4280726 LBUYBQYTEIQEED-DTWKUNHWSA-N 367.226 4.291 0 40 FIAB COc1ccc(C(=O)Nc2cc(C(=O)NCCC(C)C)ccc2Cl)cc1 4659920 YFBYWFFOWQWIAR-UHFFFAOYSA-N 374.868 4.377 0 40 FIAB CCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 4816502 XIHMFWRVXCIHMQ-WOJBJXKFSA-N 360.461 4.454 0 40 FIAB CC(C)c1ccc2nc(NC(=O)c3ccccc3S(C)(=O)=O)sc2c1 5223048 DIGINLMBDSLGBF-UHFFFAOYSA-N 374.487 4.076 0 40 FIAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3c(F)cccc3Cl)NC(=O)CN21 5371275 LZIVNZRUBNUZIW-GLCJEOIMSA-N 370.855 4.425 0 40 FIAB CCc1cc(C(=O)OC)c(NC(=S)NCCCc2ccccc2)s1 5928413 LQTQAJZNLLHGSG-UHFFFAOYSA-N 362.520 4.016 0 40 FIAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2Cl)o1 6747400 MEFPRVZZQJRJDP-UHFFFAOYSA-N 359.809 4.442 0 40 FIAB Cc1noc(C)c1CC(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 6881251 FBZYLJYQMYLNHF-JTQLQIEISA-N 363.870 4.012 0 40 FIAB Cc1ccc(-n2c(SC[C@@H]3CCCO3)nnc2-c2cccnc2)c(C)c1 6975444 KBCFWPPPGJBBFC-KRWDZBQOSA-N 366.490 4.217 0 40 FIAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1C 7882500 LFAZASZAKPOQSL-SFHVURJKSA-N 358.441 4.448 0 40 FIAB Cc1cc(COC(=O)COc2ccc(-c3ccccc3)cc2Cl)no1 7936521 TYNXNRWQIBHDPJ-UHFFFAOYSA-N 357.793 4.426 0 40 FIAB CN(Cc1ccc(Br)s1)C(=O)c1cccc2cccnc12 8037102 RDAXOWWNAIYTBL-UHFFFAOYSA-N 361.264 4.331 0 40 FIAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cnccn1 8327027 RTRYUXVUJIHEKK-UHFFFAOYSA-N 372.211 4.267 0 40 FIAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)Sc2nnc3ccccn23)cc1 8392728 QEJPCBRCGVXQFU-KBPBESRZSA-N 354.479 4.362 0 40 FIAB COc1cccc(-n2cnnc2SCCOc2cccc(Cl)c2)c1 8402448 MSHNMITVLYKDSZ-UHFFFAOYSA-N 361.854 4.100 0 40 FIAB CCC(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 8768598 ABTUQHGSKRDIDM-UHFFFAOYSA-N 360.816 4.421 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)CCC(=O)N2 9134373 YRABXZXJHKTYFT-UHFFFAOYSA-N 356.425 4.420 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3cccnc3)cccc2c1=O 9304719 SWJOIGVMZMCYTE-UHFFFAOYSA-N 370.408 4.093 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(F)cc2)c1 9317024 QDSLYTPVIPBYTI-UHFFFAOYSA-N 356.426 4.084 0 40 FIAB O=C(Nc1ccccc1N1CCCC1=O)c1csc(-c2ccsc2)n1 9748694 LDAMJZKYZJBJAT-UHFFFAOYSA-N 369.471 4.251 0 40 FIAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cccc(F)c1 10140017 XACZQGBKMBYEIS-UHFFFAOYSA-N 351.425 4.125 0 40 FIAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)c(Cl)c3)c2c1 10146606 OGTRODVPHAPHEX-UHFFFAOYSA-N 363.244 4.456 0 40 FIAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCc2sccc2C1 10341166 NAAXYIBPKHXBSD-SNVBAGLBSA-N 355.290 4.440 0 40 FIAB CC(C)[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccccc1 11274503 IAEUHKQDOFFFLC-KRWDZBQOSA-N 354.431 4.116 0 40 FIAB Cn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cn1 12186583 IRLXDISLUDWTHL-IBGZPJMESA-N 354.429 4.332 0 40 FIAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCC(C)CC3)cc2)cc1 12560159 NXRFNMOXSXPQBZ-QGZVFWFLSA-N 367.493 4.371 0 40 FIAB Cc1nn(C)c2sc(C(=O)NCc3ccc(Cl)cc3Cl)cc12 14269912 RJCNIKGJUHAQHD-UHFFFAOYSA-N 354.262 4.180 0 40 FIAB O=C(CN1CCCc2ccccc21)Nc1ccccc1C(=O)c1ccccc1 15350046 ZEGZZARORBCYQR-UHFFFAOYSA-N 370.452 4.309 0 40 FIAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccncc3)c12 17075715 WTYYUFXTNDTWPR-UHFFFAOYSA-N 369.428 4.254 0 40 FIAB C/C(=C\c1ccccc1)CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19014412 DHLFXZHUTAZWSO-OVWUPXBPSA-N 362.521 4.095 0 40 FIAB C[C@@H](CC(=O)Nc1ncc(Cc2ccccc2Cl)s1)n1cccn1 19455548 IJSDTAFMKPTYGU-LBPRGKRZSA-N 360.870 4.174 0 40 FIAB O=C(c1cc(Br)ccc1OCc1ccccc1)N1CCCC1 22114153 BUNULSRLMDGOTI-UHFFFAOYSA-N 360.251 4.264 0 40 FIAB CSc1nc(C)c(CCC(=O)N(C)Cc2cccc(Cl)c2)c(C)n1 24837165 ROCYEUCNXIPZSO-UHFFFAOYSA-N 363.914 4.060 0 40 FIAB C[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1CCCO1 27858815 YNELBYKBRYSYCS-RISCZKNCSA-N 353.340 4.263 0 40 FIAB O=C(Nc1ccccc1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 28239191 FUZJTMLFUOVQRQ-UHFFFAOYSA-N 361.323 4.191 0 40 FIAB Cc1nnsc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 28247738 UCCOTJINVWWJDH-UHFFFAOYSA-N 356.476 4.101 0 40 FIAB O=S(=O)(NCc1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1 30872174 JVYGKPLNDVMSND-UHFFFAOYSA-N 357.406 4.097 0 40 FIAB Cc1ccc(-c2noc(-c3sc(NC(=O)CC(C)C)nc3C)n2)cc1 32101761 YNVRRBMIABAHJI-UHFFFAOYSA-N 356.451 4.462 0 40 FIAB O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc2ccccc2c1 32610445 MOKUXSSMRKVDBO-UHFFFAOYSA-N 367.455 4.159 0 40 FIAB CC(C)CNC(=O)c1ccc(COc2ccc(Br)cc2)o1 40140212 RPLDCIIOXHLDAI-UHFFFAOYSA-N 352.228 4.007 0 40 FIAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H]1c1ccc(O)cc1 48303403 MLMKUDQBWLVSIX-LJQANCHMSA-N 364.470 4.422 0 40 FIAB O=C(CCSc1ccccc1)NCc1ccccc1CN1CCCC1 52399667 HFQPWAXRSINJEE-UHFFFAOYSA-N 354.519 4.081 0 40 FIAB O=C(c1oc2ccccc2c1CSc1ncccn1)N1CCCCC1 58224928 NWPCTEHTGBRNDB-UHFFFAOYSA-N 353.447 4.141 0 40 FIAB O=C(CCSc1ccccc1)NC[C@@H](O)c1cccc2ccccc12 70636017 DBNORRGIJLFMFK-HXUWFJFHSA-N 351.471 4.172 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1 75093837 UDZGEUNMXQXYGS-FQEVSTJZSA-N 354.425 4.080 0 40 FIAB CC(C)(C)c1nc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cs1 81258638 LZFJLQBMQOEDHQ-OAHLLOKOSA-N 366.490 4.081 0 40 FIAB O=C(CC(c1ccccc1)c1ccccc1)NCC[C@H](O)c1ccccc1 85436455 XDCKRVXMWDRHQL-QHCPKHFHSA-N 359.469 4.449 0 40 FIAB O=C(c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12)N1CCCC1 96154758 YKYUJAZGNGUVGZ-UHFFFAOYSA-N 356.429 4.028 0 40 FIAB COC(=O)c1cc(-c2nc3ccccc3n2C)c(-c2ccccc2)nc1C 96193767 GVJFEEVKKPCFBA-UHFFFAOYSA-N 357.413 4.397 0 40 FIAB CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1cccc(F)c1 96388347 WVNWHFJOSDKJDF-KRWDZBQOSA-N 369.358 4.281 0 40 FIAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OC(C)C 172733639 LKKYZDRJJGDANO-UHFFFAOYSA-N 353.462 4.469 0 40 FIAB COC(=O)c1c(C)n(C(=O)COc2ccc(Cl)c(C)c2)c2ccccc12 216750588 NRZXNUHIXIMSKX-UHFFFAOYSA-N 371.820 4.417 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222713260 RMEIPNPOAKUEHR-AEFFLSMTSA-N 369.461 4.109 0 40 FIAB CCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2Cl)s1 224307037 CNKBTRWYAUIXGJ-JTQLQIEISA-N 357.888 4.100 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C 224421478 WKKPQINJODJBLV-CYBMUJFWSA-N 373.324 4.283 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)Cc3cccc(Cl)c3)ccc21 225178508 ZYIQQDQYODTZGH-UHFFFAOYSA-N 360.866 4.479 0 40 FIAB Cc1ccccc1CSCC(=O)Nc1nnc(-c2ccccc2)s1 225218612 MGQQQDOEDSNUPI-UHFFFAOYSA-N 355.488 4.385 0 40 FIAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(F)c(Cl)c2)cc1 225266070 CVJWTHQNBRXZHN-NSHDSACASA-N 368.861 4.242 0 40 FIAB COc1cc(CNC(=S)Nc2ccc(F)cc2F)ccc1OC(C)C 225531234 HMMCLTBKUHMZFM-UHFFFAOYSA-N 366.433 4.247 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(SCC(C)C)s1 225642049 SVBNGKOLNAWNLS-CYBMUJFWSA-N 365.524 4.391 0 40 FIAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccnc1-c1cccnc1 225643322 ZELDVBNGFTWHAP-UHFFFAOYSA-N 371.362 4.021 0 40 FIAB O=C(CSCc1ccccc1)NCc1ccnc(-c2cccs2)c1 225650547 MEQGRDVUQQARAZ-UHFFFAOYSA-N 354.500 4.360 0 40 FIAB CCO[C@]1(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CCC[C@@H](C)C1 225719081 QLOPCUSRHJTGRN-AUUYWEPGSA-N 369.889 4.289 0 40 FIAB COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(C)c4)OCC[C@@]31C2 257201519 AHYSOPDNWKXBKV-OPYGSTPGSA-N 371.521 4.030 0 40 FIAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 408622546 PYNPWRCCUHHWPP-UHFFFAOYSA-N 368.380 4.149 0 40 FIAB O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1CCc1ccccc1 409007281 OWAGNAHLZSUGCS-WJDWOHSUSA-N 359.834 4.325 0 40 FIAB COc1cccc2cc(C3=CS[C](Nc4ccc(C)cc4)N3)c(=O)oc12 409416295 CJFGAWWPSQBYSE-UHFFFAOYSA-N 365.434 4.304 0 40 FIAB Cc1cc2c(cc1NC(=O)c1cccc(C(=O)Nc3ccccc3)c1)OCO2 556965816 FSZLLZHTHROUDS-UHFFFAOYSA-N 374.396 4.228 0 40 FIAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NCc1cccc2nccn12 585081115 XOFRRCFUAOSPGE-UHFFFAOYSA-N 362.477 4.127 0 40 FIAB CCCC1(O)CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1 585083322 QUMGAYFLGPHRSA-UHFFFAOYSA-N 351.918 4.452 0 40 FIAB O=C(C[C@H]1CCc2ccccc2C1)Nc1n[nH]c(-c2cccc(Cl)c2)n1 1125426975 WLFFDIYRUKMNDK-ZDUSSCGKSA-N 366.852 4.259 0 40 FIAB O=C(c1csc(-c2ccccc2)n1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565520555 ZJYJHEBQYLXGNR-HOTGVXAUSA-N 364.474 4.015 0 40 FIAB CC1CC(C(=O)Nc2ccc3c(c2)NC(=O)C3)(c2cccc(Cl)c2)C1 1611533769 YLWZJNYMCHJHKD-UHFFFAOYSA-N 354.837 4.141 0 40 FIAB O=C(O[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1)c1cccs1 1381186 QZEBLLMRUYFVJH-INIZCTEOSA-N 363.866 4.358 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 1407292 CHLAZODWNLEUOX-KRWDZBQOSA-N 359.429 4.010 0 40 FIAB COc1ccc(CC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc1OC 1608502 GEMUMBODWRGEIP-UHFFFAOYSA-N 354.402 4.019 0 40 FIAB O=C(O)c1ccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)cc1 2957864 YBJIUHGQLDMPKY-UHFFFAOYSA-N 364.382 4.006 0 40 FIAB O=C1c2ccccc2-c2nn(C(=O)c3cc4c(s3)CCC4)c3cccc1c23 3183086 DORPIXNHFRDAGT-UHFFFAOYSA-N 370.433 4.486 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1 3554782 PFYLAZUAUBBSCJ-UHFFFAOYSA-N 357.303 4.122 0 40 FIAB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 3893143 QQJAQFQBFGFSCD-LBPRGKRZSA-N 372.490 4.011 0 40 FIAB O=C(c1cccs1)N1C[C@H]2CCCN2c2ccc(C(F)(F)F)cc21 4051058 CJUPNVRNRUXRQN-GFCCVEGCSA-N 352.381 4.396 0 40 FIAB COc1cccc(Nc2nnc(SCc3ccc4c(c3)OCO4)s2)c1 4541293 QIBCPCZMOWXLNA-UHFFFAOYSA-N 373.459 4.311 0 40 FIAB COc1cccc([C@H]2C[C@@H](c3c(F)cccc3Cl)n3ncnc3N2)c1 4716251 MJYAYQOMSQGPGC-CVEARBPZSA-N 358.804 4.226 0 40 FIAB FC(F)(F)c1cc(NC(c2ccccc2)c2ccccc2)n2ncnc2n1 4898041 SQTFOCLMUOGAMG-UHFFFAOYSA-N 369.350 4.345 0 40 FIAB CC(C)(C)c1ccc(-c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1 5457421 KMOHTBRIFTZXTN-UHFFFAOYSA-N 364.478 4.029 0 40 FIAB O=C(/C=C/c1ccc2ccccc2n1)OCc1cn2cc(Cl)ccc2n1 6465806 CPUPECOFQAYASG-CSKARUKUSA-N 363.804 4.293 0 40 FIAB C[C@H]1CCc2sc(NC(=O)c3ccc4ccccc4c3)c(C(N)=O)c2C1 6469140 JJIGPNFCVJAQGG-LBPRGKRZSA-N 364.470 4.377 0 40 FIAB O=C(Nc1ccc(-c2noc(-c3ccncc3)n2)cc1)c1ccc(F)cc1 6667871 MDOIEFWFHQISMF-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB CCOc1ccccc1NC(=O)c1nc(SC(C)C)ncc1Cl 6748063 GZWZTTXTHCTSCX-UHFFFAOYSA-N 351.859 4.282 0 40 FIAB O=C(Nc1noc2ccccc12)c1cc(Br)ccc1Cl 6810186 ZYQDAIPBCHNSRS-UHFFFAOYSA-N 351.587 4.496 0 40 FIAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C)c(C)c2)n1 6811712 ZOXGABPIYDYICO-UHFFFAOYSA-N 365.433 4.323 0 40 FIAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)s1 6820390 VZIHMJKGQDLTPS-UHFFFAOYSA-N 357.762 4.101 0 40 FIAB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Cl)cc2)o1 6883689 IQJCCBLOOHDLBJ-UHFFFAOYSA-N 361.766 4.262 0 40 FIAB CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OC 6960336 AEUYNPPHANQXDO-KRICTJEJSA-N 362.495 4.183 0 40 FIAB Cc1ccc(S[C@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 7181224 YRBMZDUFYFMUQN-LJQANCHMSA-N 368.546 4.441 0 40 FIAB COc1ccc2nc(N3C(=O)CS[C@H]3c3ccc(F)cc3)sc2c1 8715611 CNHKHVKXXMURDO-INIZCTEOSA-N 360.435 4.223 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8722860 VTXKGPCRPJIMJW-PMACEKPBSA-N 369.461 4.349 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SCc2ccccc2)o1 8844269 NBBAUFIORHNARV-CQSZACIVSA-N 361.467 4.434 0 40 FIAB Nc1nnc(SCc2cc(-c3ccc(Cl)cc3Cl)no2)s1 9336281 OMYVKTVYUVYTLT-UHFFFAOYSA-N 359.263 4.374 0 40 FIAB Fc1ccccc1-c1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 11598651 WNACNWRNYYHPRS-INIZCTEOSA-N 369.465 4.404 0 40 FIAB CCOc1cc(C(=O)O)cc(Br)c1OCc1cccc(C)c1 11827394 UQYJKEJFLAIRPT-UHFFFAOYSA-N 365.223 4.433 0 40 FIAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(=O)c(OCc2ccccc2)co1 11856567 ABQBLJTWRPRZFZ-UHFFFAOYSA-N 373.767 4.264 0 40 FIAB O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1Cl 12846845 BHLIZPFOBYIWHI-MRXNPFEDSA-N 356.274 4.423 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(F)cc3)sc2c1 12948588 QZEVEKFMYYZLCV-RUDMXATFSA-N 355.394 4.046 0 40 FIAB CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13131430 ARYOBPOTXHSXCA-JKSUJKDBSA-N 369.856 4.059 0 40 FIAB O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1cccc(C(F)(F)F)c1 13593561 IBEJOMWHZXXJQO-UHFFFAOYSA-N 359.351 4.068 0 40 FIAB C[C@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)C(=O)Nc1ccccc1 14166261 FGXZWAFPGHICHK-SRXBQZRASA-N 368.437 4.234 0 40 FIAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)NC2CCCCC2)o1 15881522 QVTVUGKTAANBGZ-UHFFFAOYSA-N 366.465 4.264 0 40 FIAB CCN(C(=O)COc1ccc(NC(C)=O)cc1)c1cccc2ccccc12 16684975 PZQXIEYWFXISSU-UHFFFAOYSA-N 362.429 4.230 0 40 FIAB COc1c(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc(Cl)c1Cl 16780537 LJTNFCHUNIJBTR-UHFFFAOYSA-N 368.326 4.495 0 40 FIAB COCCCN(Cc1ccccn1)Cc1ccnc2ccc(Cl)cc12 19593287 GBDCNMLGSYMKLQ-UHFFFAOYSA-N 355.869 4.322 0 40 FIAB Cc1nc2ccc(F)cc2cc1C(=O)N[C@H](CCN(C)C)c1ccccc1 19718065 HPIJMDVWZUMQBO-OAQYLSRUSA-N 365.452 4.105 0 40 FIAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(=O)O)cc1 20144912 UFSFHXBYSVLFKJ-UHFFFAOYSA-N 353.418 4.450 0 40 FIAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(-c4ccccc4)nn3cc21 20632584 SFHPONZQNQLIDE-OAHLLOKOSA-N 374.831 4.357 0 40 FIAB Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3ccccc3)n2)ccc1Cl 21800348 PLFKOSVMGYKSSY-GFCCVEGCSA-N 357.797 4.104 0 40 FIAB Cc1csc(CNC(=O)NCCC(c2ccccc2)c2ccccc2)n1 24655969 YUHRODBSZVKNCM-UHFFFAOYSA-N 365.502 4.473 0 40 FIAB O=C(COc1ccc(F)cc1Cl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 24758437 XCXJFVCCGAHJOR-GXSJLCMTSA-N 353.743 4.095 0 40 FIAB O=C(O)c1ccc(C(=O)CSc2ccccc2Br)cc1 28527124 LVAPJRNFPUUBRA-UHFFFAOYSA-N 351.221 4.122 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cc1 36185295 WUPBJACUVONSTG-UHFFFAOYSA-N 364.445 4.451 0 40 FIAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 38832820 DUJMFFOAICBBPW-VQIMIIECSA-N 356.897 4.429 0 40 FIAB CSc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 38852535 HUVHOCDQWLVISR-MRXNPFEDSA-N 358.482 4.398 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(Nc2ncccn2)c1 40070145 AOJUZKVWAGKKSW-UHFFFAOYSA-N 358.323 4.491 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)c1cc2sccc2n1Cc1ccccc1 40287946 AEIANQNYBAQUHE-UHFFFAOYSA-N 364.474 4.354 0 40 FIAB CN(Cc1ccc(F)cc1F)Cn1nc(-c2cccs2)[nH]c1=S 48290804 LIMOKHTYBKBNHU-UHFFFAOYSA-N 352.435 4.037 0 40 FIAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(OCc2cccc(F)c2)cc1 49548903 BLVOOCLYCSIHGY-QGZVFWFLSA-N 351.381 4.262 0 40 FIAB CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)S(=O)(=O)C(C)C)c(C)c1 58201732 NUDUXOQTGULKGT-KBPBESRZSA-N 357.541 4.036 0 40 FIAB CSc1cccc(NC(=O)CN(C)c2nc3c(F)cccc3s2)c1 70973670 LAIPPWBXOKRVDC-UHFFFAOYSA-N 361.467 4.232 0 40 FIAB Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(Oc3ncccn3)cc2)c1 72286702 NCLHHDFQYKYSBS-UHFFFAOYSA-N 374.444 4.430 0 40 FIAB COc1ccccc1Cc1cccc(C2CCN(Cc3cccnc3)CC2)n1 72348863 BNJGYBWINIFKFS-UHFFFAOYSA-N 373.500 4.456 0 40 FIAB O=C(N(CCc1cccs1)C1CC1)C1(c2ccccc2)CCOCC1 75154807 AHDDRTQQYLMCPU-UHFFFAOYSA-N 355.503 4.030 0 40 FIAB Clc1ccc(Cl)c(C=C2CCN(CCCN3CCOCC3)CC2)c1 84341447 LHDLTQIRJWCIRI-UHFFFAOYSA-N 369.336 4.195 0 40 FIAB COc1ccc2ccccc2c1CNc1cc2c(cc1Cl)NC(=O)CO2 95350760 DMLKDIZUNANTIX-UHFFFAOYSA-N 368.820 4.445 0 40 FIAB COc1ccc(-n2c(C)nnc2-c2ccc(Br)cc2)cc1OC 98072759 SPFFEOOTWDLJSH-UHFFFAOYSA-N 374.238 4.022 0 40 FIAB CC1(C)C[C@@H](c2nn3c(-c4cc(Cl)ccc4F)nnc3s2)CCO1 107602365 SPFCLVURBNOVII-VIFPVBQESA-N 366.849 4.318 0 40 FIAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC 222576949 UEMQGOJQZBZZSB-AGRHKRQWSA-N 369.490 4.078 0 40 FIAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(C)c1 223501142 MFYSXOWQJJRCBE-QGZVFWFLSA-N 361.507 4.277 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(F)cc3)o2)c1 224851671 OBYRWLBNIYIULD-CQSZACIVSA-N 368.408 4.299 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc21 225130445 ZFNKKWACPQVRQY-BJMVGYQFSA-N 356.422 4.435 0 40 FIAB Cc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1N1CCCC1=O 225281715 RGJSPMZXTSYJHC-OAHLLOKOSA-N 353.491 4.169 0 40 FIAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(C(F)(F)F)c2)c1 225485078 GSOVODZTIIITSC-AWEZNQCLSA-N 351.368 4.406 0 40 FIAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225821612 STOXCPBLCOZAHR-HXUWFJFHSA-N 365.470 4.042 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c(C)c1 244469554 ZGDUMCMYDRLAAB-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccccc2)sc2c1CCC2 408572930 BZWVDDDZDZRDKJ-LLVKDONJSA-N 361.488 4.143 0 40 FIAB CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccccc1 408577618 UBLOQECVNXPXKX-GOSISDBHSA-N 371.502 4.108 0 40 FIAB CCCCC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 408629131 ZVDRLNMEVQQCCN-UHFFFAOYSA-N 373.444 4.309 0 40 FIAB Cc1nn(C[C@H](C)C(=O)N[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c(C)c1C 409412804 HLAXCQGDAIXBDX-RLCRFZNMSA-N 365.521 4.143 0 40 FIAB O=C(O)c1cccc(OCCN2CCC[C@H]2c2nc3ccccc3s2)c1 570337989 KLGQLJLYYLEUIC-KRWDZBQOSA-N 368.458 4.210 0 40 FIAB Cc1oc(-c2ccsc2)nc1CC(=O)N1Cc2ccccc2OC[C@H]1C 679860692 FGSZWZVKRNGARQ-CYBMUJFWSA-N 368.458 4.064 0 40 FIAB C[C@@H]1N(C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c2ccccc2C1(C)C 1528818485 QJWLYBAKHXTLAT-AWEZNQCLSA-N 362.473 4.267 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Cc2ccccc2)ccc1O 1624064423 KUUVTJKFYLVVGG-UHFFFAOYSA-N 370.452 4.437 0 40 FIAB Cc1c(Cl)cccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 655656 CBGMEKYEIUOLAI-UHFFFAOYSA-N 357.763 4.380 0 40 FIAB Nc1nc2n(n1)[C@H](c1cccs1)C[C@@H](c1ccc(Cl)cc1Cl)N2 803162 YKXHMELMOMONEH-RYUDHWBXSA-N 366.277 4.375 0 40 FIAB COC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C(C)(C)C)C3 1223116 HNMKKZRWRCMEGV-SNVBAGLBSA-N 350.509 4.107 0 40 FIAB CC(C)C[C@@H]1CC(=O)O[C@@]1(C)C(=O)CSc1nc2ccccc2s1 1245878 FJRZRDBOYWONFI-KZULUSFZSA-N 363.504 4.325 0 40 FIAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCC3CCCCC3)cc12 3911831 HEBRNNGHQLRXCL-UHFFFAOYSA-N 354.494 4.164 0 40 FIAB Cn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033332 PGFNQWGZVUPRNO-GFCCVEGCSA-N 359.351 4.113 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 4201692 KYTMJBXSWUCHBR-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB CCOc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1 4385202 KQHRRMWGPRZDHL-CQSZACIVSA-N 372.852 4.039 0 40 FIAB O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)N1CCCC1 4891415 DJOCYXWTPGJKMM-UHFFFAOYSA-N 364.474 4.088 0 40 FIAB COc1ccccc1[C@@H]1C=C(C23CC4CC(CC(C4)C2)C3)NC(=S)N1 5034300 DDHWODCIIMGRTI-WRQGHLQJSA-N 354.519 4.314 0 40 FIAB CNC(=O)O[C@H]1CCC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 5082900 MTSKCWQNZUQOHN-SFTDATJTSA-N 352.478 4.356 0 40 FIAB Cc1ccc(NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)c(C)c1 5937315 HYOMKBGNJNFZII-GOSISDBHSA-N 364.474 4.409 0 40 FIAB aggregator CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)o2)cc1 6462700 XQIMMHQWROPBTD-LLVKDONJSA-N 359.476 4.480 0 40 FIAB Cc1ccc(C)c(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c1 6648714 BCPKRXCOXWTUTE-SFHVURJKSA-N 358.869 4.350 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCc2ccccc21 6882298 ZKZNMOCIKGHYJL-UHFFFAOYSA-N 355.800 4.176 0 40 FIAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccccc1Br 7377545 VROQEGMIVJNDCU-UHFFFAOYSA-N 368.296 4.048 0 40 FIAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 7928949 PTFICAMHZJSJBY-CQSZACIVSA-N 355.409 4.082 0 40 FIAB O=C(N[C@H]1CCSc2ccccc21)c1cc(Cl)c2c(c1)OCCO2 7988742 JSCFPXJSYZKMOH-AWEZNQCLSA-N 361.850 4.078 0 40 FIAB COc1ccccc1C[C@H]1SC(=O)N(Cc2ccc(Cl)cc2)C1=O 8169200 HVBFIKFYNDBAEI-MRXNPFEDSA-N 361.850 4.155 0 40 FIAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccco1 8326225 WRXARNWEISTDDS-MRXNPFEDSA-N 372.428 4.077 0 40 FIAB Cc1[nH]c(C(=O)N2c3ccccc3CC[C@@H]2C)c(C)c1C(=O)OC(C)C 8366905 OTMCOXBDPDOQKO-ZDUSSCGKSA-N 354.450 4.178 0 40 FIAB COc1ccc([C@@H](CC(=O)Nc2ccccc2C(C)C)NC(C)=O)cc1 8726182 HLNWOOUZBLDERF-HXUWFJFHSA-N 354.450 4.025 0 40 FIAB Cc1nnc(SCc2cnn(-c3ccccc3)c2)n1Cc1ccccc1 8987438 PTCQFFGCTBNGHX-UHFFFAOYSA-N 361.474 4.113 0 40 FIAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 9141097 YSHZGKULBRHJDY-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB CCn1c(SCc2coc(-c3ccccc3)n2)nc2ccccc2c1=O 9483383 DNTZKIGFDRKHFX-UHFFFAOYSA-N 363.442 4.364 0 40 FIAB O=C(NCCSCc1ccccc1)c1ccc(CN2CCCCC2)cc1 10332049 LPEQZXLPSWASHG-UHFFFAOYSA-N 368.546 4.336 0 40 FIAB COc1ccccc1-c1cc(=O)n2nc(C)c(-c3ccc(Cl)cc3)c2[nH]1 10338582 LXFHGMNLGOVMHZ-UHFFFAOYSA-N 365.820 4.327 0 40 FIAB COCc1ccc(C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)cc1 10428094 RLUYDOKQLLKTMF-UHFFFAOYSA-N 357.413 4.424 0 40 FIAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10516658 SHSCJHUBQIUDOT-UHFFFAOYSA-N 359.779 4.280 0 40 FIAB C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCO2 10960292 OQNPIZILDXWVAJ-GFCCVEGCSA-N 353.349 4.305 0 40 FIAB CC(C)c1cc(C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n(C)n1 12162244 FNIDLBATDPDDKU-JYWFKMLOSA-N 351.494 4.246 0 40 FIAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(O)c3c4c(sc3n2)CCCC4)C1 12219825 DAMZREGXWJGXHE-GFCCVEGCSA-N 373.522 4.028 0 40 FIAB O=C(O)c1cc(-c2ccc(F)cc2)nc2c1cnn2-c1ccccc1F 12396023 UYEBLLREPLJTGX-UHFFFAOYSA-N 351.312 4.064 0 40 FIAB COc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccccc2)s1 12408240 OBGXDWAQVXCPBH-UHFFFAOYSA-N 356.422 4.196 0 40 FIAB Cn1c(=O)c2ccccc2n2c(SCc3cccc4ccccc34)nnc12 12534130 ZGUSKXRWXLGLCK-UHFFFAOYSA-N 372.453 4.027 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@H](C)Nc2cccc3ccccc23)c1 12554865 MFLVVUVMAGLEMY-AWEZNQCLSA-N 350.418 4.296 0 40 FIAB O=C(CNc1ccc(F)cc1F)N[C@H](c1ccccc1)c1cccs1 12769981 UFKSPNDCGVIYQC-LJQANCHMSA-N 358.413 4.344 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(F)cc1Cl 12989170 WAXOTHSBCBYRFK-UHFFFAOYSA-N 370.207 4.475 0 40 FIAB Cc1cc(NC(=O)CN[C@@H](c2ccccc2)C(C)C)n(-c2ccccc2)n1 12994138 ASXRPZQTFQEJNO-JOCHJYFZSA-N 362.477 4.106 0 40 FIAB CCn1nnc2cc(C(=O)N[C@@H](c3ccccc3)c3cccs3)ccc21 14125416 IUYSFUNBMHCBFH-IBGZPJMESA-N 362.458 4.032 0 40 FIAB COC(=O)c1ccc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 14248259 IPLIIUUGLJFBNO-HNNXBMFYSA-N 361.850 4.094 0 40 FIAB CCCc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)sc1C 14254726 USJTXAHIYYSBSL-UHFFFAOYSA-N 356.491 4.288 0 40 FIAB CCOc1cccc(CNCc2cccnc2)c1OCc1cccs1 15083801 ITFVFUULKMTVSG-UHFFFAOYSA-N 354.475 4.411 0 40 FIAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2cc(Cl)ccc2o1 15816726 FSLAUVVKORYSSP-UHFFFAOYSA-N 363.822 4.050 0 40 FIAB O=C(Cc1noc2ccccc12)N[C@@H](Cc1ccccc1)c1ccccc1 19206285 QMKUGJXMGNTNKE-FQEVSTJZSA-N 356.425 4.471 0 40 FIAB COc1ccc2[nH]c(CN(Cc3ccccn3)C[C@H]3CCCO3)c(C)c2c1 19565439 HQIXEEJSMSJMHS-LJQANCHMSA-N 365.477 4.061 0 40 FIAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)C4CC4)CC3)c2)c1 19690640 DBJDGNFWQKIAAQ-UHFFFAOYSA-N 350.462 4.182 0 40 FIAB COc1ccccc1[C@@H](CNCc1c(OC)ccc2ccccc12)N(C)C 23248971 HMMXZBSAMHNOFX-OAQYLSRUSA-N 364.489 4.250 0 40 FIAB O=C(NCc1ccccc1)c1cccc(Oc2ncnc3ccsc23)c1 24717126 MBIVKNKJEBMSQQ-UHFFFAOYSA-N 361.426 4.414 0 40 FIAB COc1cc(C2(CNC(=O)c3ccoc3)CCCC2)ccc1OC(F)F 24759933 LOJOYKZMOPSCME-UHFFFAOYSA-N 365.376 4.131 0 40 FIAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N[C@@H]1CCCc2ccccc21 27447200 MYESKXYFIPFODG-GOSISDBHSA-N 371.864 4.238 0 40 FIAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCC(C)C)c(C)c3cc2c1C 30819244 JKXWOFNURDHFSR-UHFFFAOYSA-N 369.461 4.478 0 40 FIAB O=C(OCc1csc(COc2ccc(F)cc2)n1)c1cc(Cl)c[nH]1 32777188 XUROPMMBERSCDY-UHFFFAOYSA-N 366.801 4.200 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CN2CCCC2)cc1 32796013 HQXTWRICJLNWGO-HNNXBMFYSA-N 358.869 4.342 0 40 FIAB COc1ccc([C@@H]2CCCN2Cc2cn3cc(Cl)ccc3n2)cc1OC 40067053 RYYYGSYYXWFZKG-KRWDZBQOSA-N 371.868 4.342 0 40 FIAB O=C(Nc1ccccc1-n1cncn1)N[C@H](c1cccs1)C1CCCC1 40104736 NOQSCJRZMNCZRU-SFHVURJKSA-N 367.478 4.382 0 40 FIAB CC1CCC(N2CCC(N(C)C(=O)Nc3ccc(F)cc3F)CC2)CC1 58247728 CXPILDSNJGMGBJ-UHFFFAOYSA-N 365.468 4.472 0 40 FIAB O=C(NOCc1ccccc1)c1nn(-c2ccccc2)c2c1CCCCC2 58378085 RDLLNTYWVLJMGC-UHFFFAOYSA-N 361.445 4.003 0 40 FIAB CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1 65567376 JYVTYWHABLNASD-UHFFFAOYSA-N 357.413 4.061 0 40 FIAB CCCCNc1ncccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 72213607 MPSULXZKPIQHLG-IBGZPJMESA-N 373.522 4.128 0 40 FIAB C[C@@H]1CCCCN1c1cc(NC(=O)COc2ccccc2)c(Cl)cc1N 72229598 LIRNOWNVQATXIJ-CQSZACIVSA-N 373.884 4.319 0 40 FIAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccccc3)C2)cc1 72345890 DYPTUQCNANBWDK-LJQANCHMSA-N 374.488 4.114 0 40 FIAB Cc1cc(C)nc(N2CCC[C@@H]2c2ccc(Nc3ncccc3C)cn2)n1 72353073 KPDWDJFUEIUYQX-LJQANCHMSA-N 360.465 4.277 0 40 FIAB Cc1ccc2ccccc2c1NC(=O)Cc1csc(NC(=O)C(C)C)n1 84210040 CPVVESVPTFPQJJ-UHFFFAOYSA-N 367.474 4.380 0 40 FIAB C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(OCc3cccnc3)c2)C1 95351011 QYWPASMJXJSJNQ-QGZVFWFLSA-N 358.441 4.500 0 40 FIAB CCn1c(C)cc(C(=O)Nc2ccccc2Sc2nccn2C)c1C 95393912 SJJVXEFAGRLYSJ-UHFFFAOYSA-N 354.479 4.262 0 40 FIAB CC(C)(C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cccnc1 95457314 OJUZVQAMGWIRIR-UHFFFAOYSA-N 373.428 4.323 0 40 FIAB O=C(N[C@@H]1c2ccccc2[C@@H]2CNC[C@H]12)c1ccc(-c2ccccc2)cc1 96156967 QQZRCYLUBAEFES-RJGXRXQPSA-N 354.453 4.141 0 40 FIAB C[C@@H](NC(=O)COC(=O)c1c(Cl)cccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102199723 KWSATXIUZKIKDW-MROQNXINSA-N 370.276 4.091 0 40 FIAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccco2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 103941031 DKNWKGFZCXWZKU-OAOQPFQOSA-N 352.434 4.086 0 40 FIAB CCOc1ccc(CNC(=O)COc2ccc(C(C)C)cc2)cc1OCC 218960560 STGAHHURQHOPJT-UHFFFAOYSA-N 371.477 4.303 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1ccc2ccccc2c1 222834869 XQGZMEFCALCMEJ-UHFFFAOYSA-N 363.457 4.366 0 40 FIAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 223199800 QFPONFTZTICEQN-BTYIYWSLSA-N 353.462 4.219 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3CCCCCC3)nc2)cc1 223944623 QFUKFJMCGAKLEC-UHFFFAOYSA-N 354.523 4.257 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(F)cc1 224241018 RMOZEVPYXYTZAV-UHFFFAOYSA-N 373.815 4.120 0 40 FIAB CC(C)CSc1nnc(NC(=O)c2ccccc2OC(C)C)s1 225165922 FQPDJOWRLHEYEN-UHFFFAOYSA-N 351.497 4.326 0 40 FIAB O=C(CCCC(=O)c1ccccc1)NCc1cccnc1-c1ccsc1 225645603 BZTKDGOUVZOFLO-UHFFFAOYSA-N 364.470 4.480 0 40 FIAB CSc1cccc(NC(=O)CCc2nc(-c3cccc(F)c3)no2)c1 225800382 RHPBQYJXZDLXMO-UHFFFAOYSA-N 357.410 4.169 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 408680943 UHQOEAIQPZECFL-FQEVSTJZSA-N 368.477 4.177 0 40 FIAB CC(=O)c1cc(Cl)c(Cl)cc1OCc1nnc2n1CCCCC2 514905999 GYBSCJZSMZATCU-UHFFFAOYSA-N 354.237 4.093 0 40 FIAB c1ccc(Cc2nc(-c3nc(-c4n[nH]c5ccccc45)no3)cs2)cc1 547132086 NXJQSGUXFMVOQE-UHFFFAOYSA-N 359.414 4.327 0 40 FIAB CN(C)[C@H](CNC(=O)/C=C/c1ccsc1)c1csc2ccccc12 575622217 XVGQBIKNINYLDI-IWAYRVGRSA-N 356.516 4.395 0 40 FIAB Cn1ccnc1[C@@H]1OCC[C@H]1CNCC1(Cc2ccccc2)CCCCC1 597089530 ZBCLFJHRUDWPOR-LEWJYISDSA-N 367.537 4.281 0 40 FIAB CN1[C@H]2CC[C@H]1CC(NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C2 615957769 IFQRPYLHLLFCSB-PCCBWWKXSA-N 368.908 4.213 0 40 FIAB O=C(C1c2ccccc2Oc2ccccc21)N1CCCN(C2CCC2)CC1 827792017 VOYXIOGPWRYBAP-UHFFFAOYSA-N 362.473 4.011 0 40 FIAB Cc1c(Nc2cc(-c3cccc(Cl)c3)ncn2)cnn1C1CCOCC1 1307126980 JHSQPOQQMMCJKZ-UHFFFAOYSA-N 369.856 4.397 0 40 FIAB COc1cc(C)c(NC(=O)C[C@H](c2ccccc2)c2ncc[nH]2)cc1F 1556243737 FDYZGPQYBYOLTD-OAHLLOKOSA-N 353.397 4.027 0 40 FIAB CCc1ccccc1NC(=O)c1sc2nc(C)cc(COC)c2c1N 980629 VLOIRLDIPVXILB-UHFFFAOYSA-N 355.463 4.148 0 40 FIAB O=C1c2ccccc2C(=O)N1Cn1c(=S)sc2cccc(Cl)c21 1107727 RUQHDODHPSLIKO-UHFFFAOYSA-N 360.847 4.339 0 40 FIAB O=C1OC(c2cccc(Br)c2)=N/C1=C/c1ccc(Cl)cc1 1231348 JRPHIVCQSIAIBX-RIYZIHGNSA-N 362.610 4.447 0 40 FIAB COc1ccccc1NC(=O)CCCOc1ccc(Br)cc1 2617897 DMPQZVKUKZPBGU-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB COc1ccc2c(Cl)c(C(=O)NC[C@H]3CCCO3)sc2c1Cl 2627253 DZLICXXRCLRGEG-MRVPVSSYSA-N 360.262 4.126 0 40 FIAB CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)O)c3N2)cc1 2777915 XNXUELOSQOEMNU-KBPBESRZSA-N 353.344 4.365 0 40 FIAB CC(C)Cn1c(Sc2ncnc3sccc23)nc2ccccc2c1=O 3360128 LXWXEJAXKGLGDW-UHFFFAOYSA-N 368.487 4.208 0 40 FIAB Cc1cc(N[C@H](C)C(=O)N2CCc3ccccc32)ccc1Br 3435671 PKYYHQHGXIDNHK-CYBMUJFWSA-N 359.267 4.147 0 40 FIAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)cc3)o2)cc1 3458855 PCLPVLRPUILLGR-ZDUSSCGKSA-N 369.446 4.173 0 40 FIAB COc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1Cl 3615697 MSVFRZOWSPHOIJ-MRXNPFEDSA-N 361.825 4.159 0 40 FIAB Cc1cc2cc(CNC(=O)c3ccccc3Br)ccc2n1C 4061511 VUDPDAQJWZZRGT-UHFFFAOYSA-N 357.251 4.179 0 40 FIAB CC(C)(C)n1nc2c(c1NC(=O)CSCc1ccccc1)CSC2 4087653 HRHSTDWDUNCSJQ-UHFFFAOYSA-N 361.536 4.257 0 40 FIAB COc1ccc(-c2nc(CCNC(=O)c3ccc(F)c(F)c3)cs2)cc1 4167088 IEPCISXFLKLARN-UHFFFAOYSA-N 374.412 4.069 0 40 FIAB COc1ccc(-c2nnc(Nc3nc4cc(OC)ccc4s3)o2)cc1 5122887 MHJLGGUOZNYNTH-UHFFFAOYSA-N 354.391 4.107 0 40 FIAB CCCc1cc(=O)oc2cc(OCc3nc(-c4ccccc4)no3)ccc12 5348446 HIEPZHLZCJUISY-UHFFFAOYSA-N 362.385 4.375 0 40 FIAB COc1ccc(-c2cc3n(c2)CCc2cc(OC)c(OC)cc2-3)c(OC)c1 5482765 CYVGMELAWVHABQ-UHFFFAOYSA-N 365.429 4.413 0 40 FIAB Cc1ccc([C@@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccccc2)o1 5483732 HGKJGDFEPSMEBE-JOCHJYFZSA-N 374.440 4.326 0 40 FIAB COc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 5513880 DSHBMLUGDQYGPE-UHFFFAOYSA-N 359.731 4.385 0 40 FIAB Brc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1 5682188 BPQQBSMTVKAWDR-UHFFFAOYSA-N 371.263 4.066 0 40 FIAB CCOC(=O)c1cc(-c2ccccn2)nc2c1c(C)nn2-c1ccc(C)cc1 5689656 NMJDNZCWQUCDEH-UHFFFAOYSA-N 372.428 4.276 0 40 FIAB CC(=O)c1ccc(NCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 5692649 JEQNJFPEIOZKKD-NOCBQHASSA-N 354.494 4.022 0 40 FIAB Cc1nnc(S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O)[nH]1 5721339 INSAVBKVMGKBDP-RIYZIHGNSA-N 361.810 4.244 0 40 FIAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 6023954 AADYSOKBJKQRSE-UHFFFAOYSA-N 370.430 4.209 0 40 FIAB CC(C)/N=C1\S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1C(C)C 6324917 KTNJLJMWYDGKFZ-BIXZQSIESA-N 357.523 4.376 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4nccs4)c(C)c3cc12 6624584 MDQNIKFZSOXFFP-UHFFFAOYSA-N 368.414 4.102 0 40 FIAB biogenic COc1ccc(NC(=O)/C=C(\C)N[C@@H]2CCSc3ccccc32)cc1 6651120 VIKHTBZNQCWNLQ-KAUXGEHWSA-N 354.475 4.364 0 40 FIAB COc1ccc(OC)c(NC(=O)CSCc2cccc(Cl)c2)c1 7094194 IQSZAWRERSVHNK-UHFFFAOYSA-N 351.855 4.229 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 7217420 VRMZHIUPJORIEH-MRXNPFEDSA-N 372.515 4.439 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(CN2CCCC2=O)cc1 7269650 VSWSSRMAEQLQCV-UHFFFAOYSA-N 372.852 4.032 0 40 FIAB COc1ccc(OC)c(N(CC(=O)c2ccccc2)C2=NCCCCC2)c1 7275149 WUCDYJPAHFUCIR-UHFFFAOYSA-N 366.461 4.366 0 40 FIAB C[C@]1(C(=O)Nc2ccccc2Cc2ccccc2)Cc2ccccc2C(=O)O1 7398673 XBUXGYUOJQRCOH-XMMPIXPASA-N 371.436 4.388 0 40 FIAB O=C(COc1cccc(Br)c1)Nc1ccccc1OC(F)F 7407153 ZRDBLGNBEHJOKN-UHFFFAOYSA-N 372.165 4.068 0 40 FIAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(C(C)C)cc1 7602120 XJJFNRBQDKVADK-UHFFFAOYSA-N 354.479 4.483 0 40 FIAB COCCNc1oc2c(c1-c1cccc(OC)c1)c(=O)oc1ccccc12 7636148 QLFNFIXVYCRUBP-UHFFFAOYSA-N 365.385 4.273 0 40 FIAB O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7929416 ZITPOYSCACMGJF-INIZCTEOSA-N 365.816 4.452 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C 8003752 XPZOGBSQVHPWHY-IBGZPJMESA-N 364.848 4.413 0 40 FIAB O=C(NCCc1ccco1)c1cn(Cc2ccccc2)nc1-c1ccccc1 8272150 BLWMRBIGVVVIGU-UHFFFAOYSA-N 371.440 4.164 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2ccc(Cl)c(Cl)c2)C1 8699255 YAFUFMBNEFTUBN-QWRGUYRKSA-N 360.237 4.029 0 40 FIAB COc1cc(NC(=O)c2ccc(C)c(-n3cccc3)c2)cc(OC)c1OC 8710371 XWVQPZKBXBSHQB-UHFFFAOYSA-N 366.417 4.064 0 40 FIAB CC[C@@H](SCc1cc(Cl)c2c(c1)OCO2)C(=O)Nc1cc(C)on1 8772168 MJIWXKHNFPHRKS-CYBMUJFWSA-N 368.842 4.016 0 40 FIAB CC1(C)COc2ccc(NC(=O)c3ccc4ccccc4c3)cc2NC1=O 8959903 HMCIVADFMZLKCK-UHFFFAOYSA-N 360.413 4.449 0 40 FIAB CC(C)[C@@H]1C[C@@](CC(=O)NCc2ccco2)(Cc2ccccc2)CCO1 9575959 IFMHOVMPUCDZOD-UNMCSNQZSA-N 355.478 4.350 0 40 FIAB CC[C@H]1CCCCN1C(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 9784575 MOFKTUXNFSZDSS-INIZCTEOSA-N 372.494 4.121 0 40 FIAB CCN(C(=O)COc1ccccc1NC(C)=O)c1cccc2ccccc12 10801198 MPSIRGLDAIIILG-UHFFFAOYSA-N 362.429 4.230 0 40 FIAB COc1cc(Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2)nc(C)n1 11613252 YKDPIGSUPDOJGE-MDWZMJQESA-N 360.417 4.189 0 40 FIAB CCn1cncc1CN(Cc1ccccc1F)C1CC(C)(C)NC(C)(C)C1 12143707 RQKZNRFVYXJSNF-UHFFFAOYSA-N 372.532 4.354 0 40 FIAB COC(=O)c1cc(-c2cccs2)nc2c1cnn2-c1ccccc1F 12397208 NQFYMJUNRBOJGY-UHFFFAOYSA-N 353.378 4.075 0 40 FIAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 12420930 QBIARBUZEORRFA-QGZVFWFLSA-N 374.425 4.276 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN(C)C)cc1 12771038 SBNKZGLRQXKCMF-AWEZNQCLSA-N 362.926 4.199 0 40 FIAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 12872953 KSRTZEMAFIFUMR-KRWDZBQOSA-N 373.456 4.426 0 40 FIAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C(C)(C)C)cc2)n1 13228115 RLYBRHIMLLENRU-UHFFFAOYSA-N 360.461 4.176 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c(C)c1 14094439 DFWRTUWZBPVSFQ-KSSFIOAISA-N 368.477 4.016 0 40 FIAB CC(C)N(C(=O)COC(=O)/C=C/c1cccc2cccnc12)c1ccccc1 14811105 NNLHUONKASYHFT-BUHFOSPRSA-N 374.440 4.233 0 40 FIAB O=C(Nc1ccccc1N1CCCCC1)c1cncc(Br)c1 15315873 FVJKUJIVKNHTCZ-UHFFFAOYSA-N 360.255 4.087 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 18702548 SSMCIHYRJCSYGU-NSHDSACASA-N 359.838 4.265 0 40 FIAB CC(=O)N1CCC[C@@H](NCc2c[nH]c3ccccc23)[C@@H]1c1ccc(C)s1 19217321 GBRGFQRHSHPVDD-TZIWHRDSSA-N 367.518 4.380 0 40 FIAB c1cncc(-c2nnc([C@@H]3CCCN3Cc3ccnc4ccccc34)o2)c1 19376090 SPLJPFJJQRGBBL-IBGZPJMESA-N 357.417 4.017 0 40 FIAB CC(C)C(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 19719757 CUSJVRHNXGREHD-UHFFFAOYSA-N 354.397 4.370 0 40 FIAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 19853756 QFBOHKHXSFBIOX-GHRIWEEISA-N 358.507 4.464 0 40 FIAB COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)sc1Cl 20627248 NSVRFNQIXKHICO-UHFFFAOYSA-N 352.264 4.173 0 40 FIAB CC(C)CNc1nnc(S[C@@H](C)C(=O)NCCC2=CCCCC2)s1 23226732 MCIKXEXRTMFPHK-ZDUSSCGKSA-N 368.572 4.093 0 40 FIAB CCOC(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1 24053682 QPJKMIDUVFIALK-UHFFFAOYSA-N 367.474 4.252 0 40 FIAB C[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccccn1 24978687 XVAGXROAXCAMQK-HTAPYJJXSA-N 370.456 4.266 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2cccs2)N2CCCCCC2)cc1 27583061 WROQKXBJICAENS-GOSISDBHSA-N 358.507 4.104 0 40 FIAB Cc1ccc([C@H](CNC(=O)c2ccccc2F)N2CCCCCC2)cc1 27741419 HIGMTRUCSBDBLE-NRFANRHFSA-N 354.469 4.481 0 40 FIAB O=C(Nc1nnc(-c2ccncc2)s1)c1cc(Cl)ccc1Cl 28226125 RUVXAKTYQXGUGW-UHFFFAOYSA-N 351.218 4.159 0 40 FIAB Cc1cccn2c(=O)cc(COc3ccc(C4SCCS4)cc3)nc12 32810057 YUXBUFUWJFNSQP-UHFFFAOYSA-N 370.499 4.061 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)o1 36697608 RUPTYKLQBBRNLK-NZDACYECSA-N 352.478 4.055 0 40 FIAB CCCn1cc(-c2nc(-c3ccccc3OC)no2)c(=O)c2ccccc21 38487795 IWVRAERHTHJLGE-UHFFFAOYSA-N 361.401 4.137 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C 40099167 TWSVGDAGKXUJQG-AWEZNQCLSA-N 367.902 4.143 0 40 FIAB O=C(/C=C/c1c(F)cccc1F)N[C@@H](c1ccccc1)c1ccccn1 42383320 DPRPRLRFINWECF-IWGBCORSSA-N 350.368 4.279 0 40 FIAB O=C(NCCc1ccccc1F)C1CCN(Cc2ccccc2Cl)CC1 47936529 LTYNSIVCTFAWFT-UHFFFAOYSA-N 374.887 4.050 0 40 FIAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2csc(C3CCCCC3)n2)C1=O 48310400 MDMZDSLMMQNOBT-FQEVSTJZSA-N 369.490 4.158 0 40 FIAB CCOC(=O)c1c(NCc2ccccc2F)c2cccc(Cl)c2[nH]c1=O 49001505 XGDJIRBIYMWZPT-UHFFFAOYSA-N 374.799 4.109 0 40 FIAB Cn1cc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c2ccccc21 49169378 INGCVSUBKDFJQD-KRWDZBQOSA-N 358.445 4.218 0 40 FIAB biogenic,in-vitro CN1CCC[C@H](NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)C1 62647459 DUYYCHVSCIUKRF-VQTJNVASSA-N 371.912 4.017 0 40 FIAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cn3)c12 65477845 RZECRANXXLUKRW-UHFFFAOYSA-N 356.813 4.353 0 40 FIAB Cc1nc2ccc(N[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)cc2s1 69056587 LBEJJZLWSFRHKV-CHWSQXEVSA-N 351.475 4.383 0 40 FIAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(C)cs3)s2)ccn1 71279310 ZYCSVQLGIHZBSQ-UHFFFAOYSA-N 358.492 4.483 0 40 FIAB CC(=O)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215477 CUVCEERXPWTCPD-SFHVURJKSA-N 373.497 4.449 0 40 FIAB CC(C)n1cc(CCCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21 72325512 FAGUJLJGPJRYDH-UHFFFAOYSA-N 363.461 4.283 0 40 FIAB biogenic Cc1nc(CN2CCCN(Cc3nc(C)c(C)o3)c3ccccc32)oc1C 72665808 QTLHTHYQJOTTKI-UHFFFAOYSA-N 366.465 4.313 0 40 FIAB Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n(Cc2ccccc2)n1 73667378 TXJGGRYDJWHZSZ-UHFFFAOYSA-N 369.490 4.164 0 40 FIAB COC(=O)c1cc(-c2csc(C)n2)ccc1OCc1cccc(OC)c1 85397524 QMGCLUISMAYNFS-UHFFFAOYSA-N 369.442 4.493 0 40 FIAB CCC(CC)n1nccc1C(=O)NC[C@@H](c1ccccc1)N(CC)CC 89943222 CTZKYNYAZNMUEN-FQEVSTJZSA-N 356.514 4.057 0 40 FIAB CC(C)(c1ccccc1)c1nc(CS(=O)(=O)c2ccccc2)cs1 92227302 JYXROIQBBJDSOX-UHFFFAOYSA-N 357.500 4.443 0 40 FIAB CO[C@@](C)(CNC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1F 96123532 CUAITVADNKIOCK-KRWDZBQOSA-N 371.330 4.016 0 40 FIAB C[C@]12CC3CC(NC(=O)c4cncc(Br)c4)(C1)C[C@](C)(C3)C2 101212999 CHGKKKWRHLUXHR-MZWUQJOJSA-N 363.299 4.323 0 40 FIAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc1 102850325 GTIZUONOURJNBM-CKEIUWERSA-N 370.522 4.181 0 40 FIAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1cc(-c2ccc(F)cc2)c[nH]1 206784609 WBLLEIUDXURYMZ-FQEVSTJZSA-N 363.436 4.220 0 40 FIAB Cc1cccc(CSCC(=O)NCCCN2CCCc3ccccc32)c1 222748371 IADCPYXSBSMVQI-UHFFFAOYSA-N 368.546 4.187 0 40 FIAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1C 223722031 IZZYAWGTPNZXIH-UHFFFAOYSA-N 361.507 4.122 0 40 FIAB COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C 224279719 PLDOTTKDALVKDW-GOSISDBHSA-N 353.462 4.273 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1c(C)cc(C)cc1C)CCCC2 224410984 FGJVRYODIAHZFF-UHFFFAOYSA-N 359.491 4.300 0 40 FIAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccc(OC)cc1 224595415 HBTLHQWSECJPMA-HNNXBMFYSA-N 357.450 4.201 0 40 FIAB CCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1Cl 225111590 IDLINBOEMKMYQY-UHFFFAOYSA-N 354.233 4.201 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSc2ccccc2)c1 225285015 VUOXQOBFXSNBAS-UHFFFAOYSA-N 374.531 4.250 0 40 FIAB COc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1 225317542 KLLAUYFCFKYNSW-IBGZPJMESA-N 369.461 4.055 0 40 FIAB O=C(c1ccc(-c2cccs2)cc1)N1[C@H]2CC[C@H]1CC(n1ccnn1)C2 675007664 GBKQZLGIQJOZKW-IRXDYDNUSA-N 364.474 4.015 0 40 FIAB C=CC(=O)Nc1cccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1 1598429480 WWNIRACUDJQNBE-NRFANRHFSA-N 360.457 4.493 0 40 FIAB CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccccc2)N1c1cccc(F)c1 1615160316 ZCFLQIPXCVNLMO-PMACEKPBSA-N 352.453 4.488 0 40 FIAB O=C(CCSc1ccccc1)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775969067 WDISUQZVDURJFN-MRXNPFEDSA-N 373.499 4.340 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 641306 GGZOFJTYIRJMCA-GOSISDBHSA-N 369.852 4.223 0 40 FIAB CCc1c(C)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2oc1=O 2315259 MWJHGWXYSDZIKN-UHFFFAOYSA-N 365.429 4.298 0 40 FIAB CSc1ccccc1C(=O)c1ccccc1I 2392619 JOVCOGDUTRTLLI-UHFFFAOYSA-N 354.212 4.244 0 40 FIAB CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OC)cc1 2443565 CQHVJGXYAUSMDT-UHFFFAOYSA-N 365.462 4.142 0 40 FIAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 2493241 WACBUTVPYOKSKG-FQEVSTJZSA-N 368.392 4.246 0 40 FIAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1c(F)cccc1F 3370821 LSYHNIDSCXCVPA-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1 3656752 SBXFAGBYOQZAKG-UHFFFAOYSA-N 357.431 4.121 0 40 FIAB aggregator C[C@H]1CCc2c(sc(Nc3nc4ccc(F)cc4s3)c2C(N)=O)C1 4137780 FXKHCEPUGXTTCI-QMMMGPOBSA-N 361.467 4.464 0 40 FIAB CCCCNC1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 4664714 PIOIBPSGTXRYHR-AQTBWJFISA-N 353.853 4.473 0 40 FIAB CCN1CCC(OC(=O)c2ccccc2)(c2nccc3ccccc23)CC1 4774532 UKBNZWHAAQUZJH-UHFFFAOYSA-N 360.457 4.403 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(F)cc2)C[C@H]1c1ccc(Cl)cc1 4816604 CTTRQPZQPKODHM-ZWKOTPCHSA-N 370.815 4.158 0 40 FIAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H]1CCCc2ccccc21 5442825 FTISZWIYXQEWHO-FZKQIMNGSA-N 374.278 4.410 0 40 FIAB CC(C)Cn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccccc1F 5798308 QZECKASXNIKPKW-UHFFFAOYSA-N 358.442 4.043 0 40 FIAB COCCN1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 6345934 FMHKVZJGGQOTOH-LDADJPATSA-N 371.458 4.310 0 40 FIAB CN(C)C(=O)[C@@H](Oc1ccc(Cl)cc1Br)c1ccccc1 6844512 ITYYXMMVENZZJA-HNNXBMFYSA-N 368.658 4.311 0 40 FIAB CC[C@@]1(c2ccccc2)NC(=O)N(CCSc2ccc(Cl)cc2)C1=O 7088423 XVDOOMOFCMIKLF-IBGZPJMESA-N 374.893 4.289 0 40 FIAB Cc1ccccc1-c1noc(CSc2nnc(-c3ccoc3C)n2C)n1 7236440 QSHQSMKSWCPTEW-UHFFFAOYSA-N 367.434 4.034 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 7381655 XRVPIYHNRUGFQS-FQEVSTJZSA-N 366.505 4.036 0 40 FIAB Cc1cccc(C)c1OC(=O)CSc1nnc(-c2ccc(F)cc2)o1 7657872 CWLMAQPPKIQJRJ-UHFFFAOYSA-N 358.394 4.190 0 40 FIAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N[C@@H](C)C3CC3)c2n1 7896875 UATYENMUJZIDDN-JTQLQIEISA-N 353.249 4.144 0 40 FIAB CN1CCCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 7987968 HXADREBEUHEXME-UHFFFAOYSA-N 358.898 4.154 0 40 FIAB Cc1cc(=O)oc2cc(OCc3nc(-c4cccc(Cl)c4)no3)ccc12 8006667 UQUJXBBAZGBPIW-UHFFFAOYSA-N 368.776 4.384 0 40 FIAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncnc2ccccc12 8132329 TZEWEMDKYQULII-UHFFFAOYSA-N 355.463 4.037 0 40 FIAB Cc1cc(CSc2ncccc2C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)no1 8368646 PMZVYVKZXPUZRF-JKSUJKDBSA-N 371.506 4.323 0 40 FIAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(F)ccc1F 9954469 ORJZQBABWOAPQQ-UHFFFAOYSA-N 362.357 4.432 0 40 FIAB COc1ccc(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)cc1 10772371 LXCFUKOJEVSOLC-UHFFFAOYSA-N 372.852 4.227 0 40 FIAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccn1 11566012 FJLBCCXSGGPOEG-UHFFFAOYSA-N 362.495 4.493 0 40 FIAB O=C(NCc1nc2ccccc2n1Cc1cccc(Cl)c1)c1ccco1 11667165 PYGSJHQBAOUNQR-UHFFFAOYSA-N 365.820 4.261 0 40 FIAB Cc1nccc(-c2ccc(-c3noc(CN4[C@@H](C)CCC[C@H]4C)n3)cc2)n1 12337080 BSOJNMAWSBVCCP-GASCZTMLSA-N 363.465 4.265 0 40 FIAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc3cc(C)c(C)cc3s2)on1 12422349 PQUINJBUVKQGNJ-AWEZNQCLSA-N 371.462 4.035 0 40 FIAB CSc1ccccc1NC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 12766399 LEJVWOFTJCVZNX-JLHYYAGUSA-N 352.459 4.187 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 12810499 LUCOWTLYKBHMMG-OAHLLOKOSA-N 353.491 4.372 0 40 FIAB CSc1nc(C)c(CCC(=O)N[C@H](C)c2ccccc2Cl)c(C)n1 12912552 IQNMOXLZTZIFGK-CYBMUJFWSA-N 363.914 4.279 0 40 FIAB O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1F)C1CC1 12994149 CZYCGSAPRFGZTB-UHFFFAOYSA-N 374.264 4.486 0 40 FIAB CCc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 13018603 OMDALCNILNFISX-KRWDZBQOSA-N 351.450 4.132 0 40 FIAB C[C@@H]1CCCCN1c1ncnc2c1oc1nc3c(cc12)COC(C)(C)C3 13135659 PNPJHJONFKACSA-GFCCVEGCSA-N 352.438 4.001 0 40 FIAB C[C@@H](NC(=O)c1ccc(N2CCOCC2)cc1)c1ccc(C(C)(C)C)cc1 13613444 OYRDEBKBQYWLIZ-QGZVFWFLSA-N 366.505 4.312 0 40 FIAB Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccc(C)c(Cl)c2)c(C)c1 14167178 FZOAYBCSOMQMMD-UHFFFAOYSA-N 372.896 4.261 0 40 FIAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1nc2ccccc2s1 14202198 NQNZKPNVASHZFJ-UHFFFAOYSA-N 366.446 4.287 0 40 FIAB CC(=O)O[C@H](CCCCCCCCC[C@@H](C)O)Cc1cc(O)cc(O)c1 14772415 XPDBYTRMUWQPTF-IIBYNOLFSA-N 366.498 4.464 0 40 FIAB biogenic,in-vitro C[C@H]1Sc2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2NC1=O 15591829 LSROUKYOWPPVAZ-MRVPVSSYSA-N 350.802 4.164 0 40 FIAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N(C)C)cc2)s1 15840203 RKDHKQCKUINICL-UHFFFAOYSA-N 357.504 4.427 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c2cc(Cl)ccc2o1 16806673 ZEJXXNNOQDNQOA-UHFFFAOYSA-N 364.184 4.361 0 40 FIAB CC(=O)NCCCc1ccc(-c2csc(COc3ccccc3)n2)cc1 16941521 GFLRPDCREPWHOM-UHFFFAOYSA-N 366.486 4.458 0 40 FIAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)C2CCC2)n1 19525620 YGDBGUGOSIBEHZ-KRWDZBQOSA-N 368.481 4.165 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 20450253 CDRCWPVMOZNDHA-CQSZACIVSA-N 371.893 4.323 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(-n2cccn2)cc1 21471256 OBQSCHJWAOWJGX-OAHLLOKOSA-N 373.412 4.090 0 40 FIAB O=C(Nc1ccc2c(c1)CCC2)c1cccnc1SCC(F)(F)F 22523061 RMDBJSUFBQNGIW-UHFFFAOYSA-N 352.381 4.477 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c1 22531330 ZIENXMBRKUFOLC-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Clc1ccc(CN2CCN(Cc3cccc4cccnc34)CC2)cc1 22834502 KQCGTRCIJRAKLX-UHFFFAOYSA-N 351.881 4.206 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)nc1)c1cccnc1SC(F)F 24032168 CZWMJXLQQHAWMV-UHFFFAOYSA-N 364.421 4.034 0 40 FIAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCC2 24616814 KYHJWOBMIZXAJB-MRXNPFEDSA-N 365.473 4.147 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 26392439 YZCASZNJTOUOQL-QWHCGFSZSA-N 363.841 4.002 0 40 FIAB COc1ccccc1OCc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)o1 27980247 LFUFKVAKTPQTCI-HNNXBMFYSA-N 363.413 4.459 0 40 FIAB C[C@H]1CN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)C[C@@H](C)O1 28913636 GQOIDZUJDYKMFN-GASCZTMLSA-N 374.868 4.180 0 40 FIAB Cc1c(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)oc2c(F)cccc12 30030112 OFUIKFFEXBQGGI-GOSISDBHSA-N 352.409 4.009 0 40 FIAB CCC(CC)c1nnc(NC(=O)c2cc(-c3ccccc3OC)on2)s1 30040062 ZODWTARDBMOKLX-UHFFFAOYSA-N 372.450 4.358 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CCN2CCSC2=O)cc1 32784684 OJKABRBSQCMSBM-UHFFFAOYSA-N 356.447 4.285 0 40 FIAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 36635902 PBEFHHPKPUMLDU-MRXNPFEDSA-N 363.244 4.300 0 40 FIAB C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCCC1CCCC1 40120840 IUAWKZMFXPEZJO-GFCCVEGCSA-N 371.308 4.198 0 40 FIAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1C 40128130 LKYPHJPJXSIYSI-UHFFFAOYSA-N 369.446 4.095 0 40 FIAB C[C@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccc2c(c1)OCCCO2 40133021 MTDSEDRFKVSPRL-XOVSCCBYSA-N 359.372 4.017 0 40 FIAB Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 47340884 VEWWGIGNBMODAY-CABCVRRESA-N 357.475 4.124 0 40 FIAB C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)NCc1ccccc1 48354912 NVGMTPSHOLEPON-LBPRGKRZSA-N 359.882 4.024 0 40 FIAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2cccc3ccccc23)[nH]n1 51315696 OPAJSYJZLMJUIC-UHFFFAOYSA-N 371.396 4.253 0 40 FIAB COc1c(C)cnc(CNC(=O)N2CCC[C@H]2c2ccccc2C)c1C 51334241 XRRUQQJGZXLTDK-IBGZPJMESA-N 353.466 4.062 0 40 FIAB CCOC(=O)CSCC(=O)c1cc(C)n(CCC2=CCCCC2)c1C 57674367 VEFNEFGRDSQMAN-UHFFFAOYSA-N 363.523 4.474 0 40 FIAB O=C(Cc1ccc(Br)cc1)N[C@H](c1ccccc1)c1ccco1 57977168 CMVLSUJOGVLSEI-LJQANCHMSA-N 370.246 4.490 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NCc1nc(C(C)C)no1 58217579 VQBSXCFETZXERO-OAHLLOKOSA-N 356.470 4.128 0 40 FIAB Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@]1(C)CC1(Cl)Cl 58377483 OCMWSBZAPCZYAK-INIZCTEOSA-N 373.349 4.066 0 40 FIAB O=C(Nc1ccc2scnc2c1)c1ccc(F)cc1Br 58441495 LXKFJBJYQKUAOE-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB C[C@H](Nc1ccc(NC(=O)c2nccnc2N)cc1Cl)c1ccccc1 60100655 JAVQQSAZGPXCJT-LBPRGKRZSA-N 367.840 4.138 0 40 FIAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC(Nc2ccc(F)cc2)CC1 67592922 GZZGPPFPFZTVHT-WOJBJXKFSA-N 356.416 4.171 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1nc(-c2ccccc2)no1 68439733 YYQAUDPTGPJUAT-MRXNPFEDSA-N 371.824 4.223 0 40 FIAB COc1ccc(Br)c(CO)c1OCc1cccc(Cl)c1 95095098 HVTGHCRLULSABB-UHFFFAOYSA-N 357.631 4.182 0 40 FIAB Cc1cc(=O)oc2c3c(ccc12)OC(=O)C[C@H]3c1ccc(OC(C)C)cc1 96221344 DRGJYTIMLDWYGF-KRWDZBQOSA-N 364.397 4.330 0 40 FIAB biogenic CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 98086951 JYHFKNZPCLDVLS-UHFFFAOYSA-N 369.490 4.251 0 40 FIAB CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C)c(C)c1 219232404 KMMRZCIKHHDWBJ-NRFANRHFSA-N 364.489 4.307 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OC)cc1 223626045 DYFXRAFVUMEHEN-NRFANRHFSA-N 353.462 4.048 0 40 FIAB Cc1ccc(CCC(=O)NCCCN2c3ccccc3C[C@H]2C)cc1C 260790689 GEXCGLMEILEVJB-LJQANCHMSA-N 350.506 4.194 0 40 FIAB CCCCc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 408708876 MPYKKHBAVKOXOI-UHFFFAOYSA-N 368.477 4.071 0 40 FIAB CCn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc21 408712902 AKAHQZXIUBZNMA-UHFFFAOYSA-N 371.234 4.036 0 40 FIAB O=S(=O)(NC[C@@H](c1ccco1)c1cccs1)c1ccccc1Cl 585146779 OYIBOUVEWNHALJ-LBPRGKRZSA-N 367.879 4.105 0 40 FIAB O=C(c1cc(-c2ccc3ccccc3c2)[nH]n1)N1CC[C@]2(C1)CC2(F)F 653005060 CYRWXDGCJBLNOR-LJQANCHMSA-N 353.372 4.101 0 40 FIAB COc1cc(CN2CCC(c3ccc4cccnc4n3)CC2)cc(OC)c1 656270986 IGOVDSWKIZIJOV-UHFFFAOYSA-N 363.461 4.027 0 40 FIAB CNC(=O)c1sc2ncccc2c1C1CCN(C2CCCCC2)CC1 2037840835 SZGGTJIBSPJPLF-UHFFFAOYSA-N 357.523 4.168 0 40 FIAB Clc1cccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)c1 641689 BZYPPRPMMHZVDJ-AWEZNQCLSA-N 370.821 4.019 0 40 FIAB O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1ccccc1Cl 1081659 QVBWVCJHHHPFFP-UHFFFAOYSA-N 351.793 4.240 0 40 FIAB CN(C)C(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 1367674 NBKLSKVRPVWJTC-UHFFFAOYSA-N 357.866 4.131 0 40 FIAB c1ccc(SCc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 1383040 BWWCYYOKRUAPJB-UHFFFAOYSA-N 363.486 4.273 0 40 FIAB CCOc1ccc2c(=O)c(Oc3ccc4c(c3)OCCCO4)c(C)oc2c1 2090267 NYPBYECKJTWDDE-UHFFFAOYSA-N 368.385 4.454 0 40 FIAB biogenic CCCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C 2111828 ASKNKPKFBOQOEP-ZVQQDINOSA-N 362.473 4.113 0 40 FIAB biogenic O=C(Nc1ccccc1Cl)NC1(C(F)(F)F)Oc2ccccc2O1 2649242 RQJPXUURQYBTGQ-UHFFFAOYSA-N 358.703 4.149 0 40 FIAB Cc1cccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1C 2653838 UULZURZYISKHGI-UHFFFAOYSA-N 362.395 4.285 0 40 FIAB COc1cccc(-c2nc(S)c3c(n2)Oc2ccc(C)cc2C3)c1OC 2691569 MTQNHTGQKICFPV-UHFFFAOYSA-N 366.442 4.454 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3nncs3)c3ccccc3n2)s1 2752964 NIXBXPPFPYGUJJ-UHFFFAOYSA-N 352.444 4.376 0 40 FIAB O=C(CSc1nncs1)N1c2ccccc2Sc2ccccc21 3413526 GXHLZPXRLYSVST-UHFFFAOYSA-N 357.485 4.460 0 40 FIAB aggregator Clc1cccc(-n2ncc3c(SCCN4CCCCC4)ncnc32)c1 4341709 OYQMXNNVCZGEER-UHFFFAOYSA-N 373.913 4.047 0 40 FIAB CCOc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1OC 4678562 LPYSCWLLFYFEBS-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 5184555 WEEYABOVJZGVOA-UHFFFAOYSA-N 366.442 4.048 0 40 FIAB CC(=O)[C@@H]1C[C@H](CC(=O)NC(=S)Nc2c(C)cc(C)cc2C)C1(C)C 5739635 QVBNSYIGXTYOSR-CVEARBPZSA-N 360.523 4.066 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3C)c2C(N)=O)C1 6045525 KFJMVAQQITULSI-CYBMUJFWSA-N 356.491 4.313 0 40 FIAB O=c1c2ccccc2ncn1Cc1csc(-c2ccc(Cl)cc2)n1 6720246 UIFDGHDNAIZCJE-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2Cl)N3)C1 6857642 ACYMKJUNJBVQFL-AWEZNQCLSA-N 368.289 4.472 0 40 FIAB CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccccc1Cl 6883133 LDTKKQUCRNOPLE-UHFFFAOYSA-N 354.277 4.433 0 40 FIAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc(F)cc1 7318863 PZHKNDIZNDYCRV-UHFFFAOYSA-N 357.454 4.397 0 40 FIAB C=CCn1c(C)c(/C=C(\Sc2nnc(C)o2)C(=O)O)c2ccccc21 7365699 NZOBKPDJFPETLN-YBEGLDIGSA-N 355.419 4.045 0 40 FIAB Cc1noc(C)c1CCC(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 7398367 GSIUDTXDYXDNKC-UHFFFAOYSA-N 367.376 4.200 0 40 FIAB Clc1ccc(-c2noc(CSc3nnc(-c4ccco4)o3)n2)cc1 7427795 ZJICLEPQRCJOFQ-UHFFFAOYSA-N 360.782 4.325 0 40 FIAB CN(C(=O)c1ccccc1C(=O)NCc1ccc(F)cc1)C1CCCCC1 7718194 BQCRMYQNTCKJDH-UHFFFAOYSA-N 368.452 4.160 0 40 FIAB COc1ccc(NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1Cl 7974553 HQXXOQLQPAGHDS-UHFFFAOYSA-N 373.884 4.390 0 40 FIAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2c(F)cccc2s1 8072315 NLVATOMDIXNLAF-CYBMUJFWSA-N 371.433 4.343 0 40 FIAB COc1cc(OC)c(OC)cc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 8497291 KCNQAGHWWSNYLQ-HIGJEIRPSA-N 359.510 4.407 0 40 FIAB Cc1sc2nc(COC(=O)c3c(F)cccc3Cl)nc(N)c2c1C 8746928 MRZLQBBRNCTTNI-UHFFFAOYSA-N 365.817 4.040 0 40 FIAB COc1ccccc1-c1cc(CSc2nc(N)c3ccsc3n2)on1 9322768 AOHTZIAPIDJBAU-UHFFFAOYSA-N 370.459 4.229 0 40 FIAB O=C(CCc1nc2ccccc2[nH]1)N1CCC(c2c[nH]c3ccccc23)CC1 9896591 KTTJTBISZLHPQO-UHFFFAOYSA-N 372.472 4.383 0 40 FIAB CCCCSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 11917139 GMSIGYFBGQELRT-UHFFFAOYSA-N 360.464 4.338 0 40 FIAB COc1ccc(CCN2COc3c(cc(Cl)c4cccnc34)C2)cc1 12555349 USQICYSWFHQYGJ-UHFFFAOYSA-N 354.837 4.291 0 40 FIAB O=C(NCc1ccccn1)c1ccccc1OCc1ccc(Cl)cc1 12607528 XTPVZQDIBDMJPK-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 12731743 KYNCNDCQFNBRJV-HNAYVOBHSA-N 354.475 4.154 0 40 FIAB OCCSc1ncnc2cc(-c3ccc(Br)cc3)sc12 12761664 RVZLCJABVQJDFR-UHFFFAOYSA-N 367.293 4.205 0 40 FIAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NOCc1ccccc1 12764300 WXNSVUUFSXBXNW-UHFFFAOYSA-N 372.421 4.031 0 40 FIAB COc1ccc(F)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1 12971668 PUPFUOYSCXNXHM-JTQLQIEISA-N 352.203 4.088 0 40 FIAB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1 13014059 CAPBXTVLDUJZJB-SFHVURJKSA-N 355.507 4.076 0 40 FIAB Cn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1 13667843 QSJGMAOLSWIMAC-UHFFFAOYSA-N 374.227 4.210 0 40 FIAB O=S(=O)(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 13938359 CRXBEYOVLUTYGZ-UHFFFAOYSA-N 365.498 4.328 0 40 FIAB CCOc1ccc(-c2nnc(CN(C)[C@@H](C)c3ccc(F)cc3)o2)cc1 14066767 SUAIBBJQWIRNMW-AWEZNQCLSA-N 355.413 4.467 0 40 FIAB COc1ccc(Br)c(C(=O)N(C)Cc2cccc(Cl)c2)c1 15989955 WSPUHTAUHMHWSC-UHFFFAOYSA-N 368.658 4.383 0 40 FIAB COc1ccc([C@H](NC(=O)c2ccc3c(c2)ncn3C2CC2)C2CC2)cc1 19714290 JRGFDRXVBUKPRJ-OAQYLSRUSA-N 361.445 4.261 0 40 FIAB C[C@H]1CCC[C@H](NC(=O)c2cccc(OCn3cc(Cl)cn3)c2)[C@@H]1C 20606045 GBTJPCJCYMIAES-IYOUNJFTSA-N 361.873 4.128 0 40 FIAB COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(C)s2)cc1 21623367 HIEIJAMBCJNFGX-KRWDZBQOSA-N 357.475 4.392 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235254 LOAOTTIZECEPEJ-UHFFFAOYSA-N 352.821 4.162 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(N3CCCCC3=O)cc2)c(C)c1 25597541 NZVDSCPHCZSVHJ-UHFFFAOYSA-N 350.462 4.093 0 40 FIAB Cc1ccccc1OCn1ccc(C(=O)Nc2cccc3cccnc23)n1 27972272 SWTVHAGGRVRDHV-UHFFFAOYSA-N 358.401 4.029 0 40 FIAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCSCc1ccccc1 28189038 SJFIXOKXOMOPAA-UHFFFAOYSA-N 373.503 4.080 0 40 FIAB CCOc1ccc(C(=O)CSc2n[nH]c(/C=C/c3ccc(C)o3)n2)cc1 31802354 ALAGXBMRIKYSDQ-ZHACJKMWSA-N 369.446 4.250 0 40 FIAB COc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1O 33530726 FGUHLKIKZSYRIR-RAXLEYEMSA-N 355.415 4.416 0 40 FIAB CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(OC(F)F)cc1 36391475 BIYSWTLWBCJNTE-UHFFFAOYSA-N 363.364 4.070 0 40 FIAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NC[C@H]2CCN(c3ccccc3)C2)c1 48368358 FFZRDMSEVDPUTH-IAGOWNOFSA-N 372.896 4.058 0 40 FIAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccc(F)cc1 59418011 VRARNUMOLRHEFZ-LICLKQGHSA-N 373.405 4.127 0 40 FIAB Cc1cc(C)n(C[C@H](C)C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)n1 60016513 QZIWBCHUTHBEAT-YYERIDGHSA-N 365.521 4.225 0 40 FIAB CCN(C(=O)Nc1ccc2oc(=O)ccc2c1)[C@H](C)c1cccc(O)c1 68636862 OYWINCZIAZYAHP-CYBMUJFWSA-N 352.390 4.114 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)C1(c2cccc(F)c2)CCCCC1 71824187 CXRMHSURCKUZPI-UHFFFAOYSA-N 364.424 4.247 0 40 FIAB O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CC(c2ccccc2)=NO1 71843907 JCRIEZLKXLDHCU-QGZVFWFLSA-N 370.499 4.297 0 40 FIAB CCCCOc1ccc(-c2cc(C(=O)NCc3cccc(C)c3)[nH]n2)cc1 72331581 FWHMBKOUQLGTDO-UHFFFAOYSA-N 363.461 4.494 0 40 FIAB CCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c(C)c1C 72414297 DXSJUMXYZRJRAE-UHFFFAOYSA-N 356.447 4.051 0 40 FIAB C[C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)N1CCCCCC1 83888861 DKICMPYINKQUTK-LLVKDONJSA-N 371.428 4.465 0 40 FIAB COc1cc(C2(C(=O)Nc3ccc(N4CCCC4)c(F)c3)CC2)ccc1C 84187987 AJXOLZWCJOWVNN-UHFFFAOYSA-N 368.452 4.413 0 40 FIAB CC(=O)Nc1ccc(OC(=O)c2cccnc2Nc2cccc(F)c2)cc1 84796791 KRGGVWCRYNEPSH-UHFFFAOYSA-N 365.364 4.142 0 40 FIAB COc1ccc(Cl)c2c1N(C(=O)c1ccc3c(n1)CCCC3)CCC2 89435106 NGIAAYYWIVIIFU-UHFFFAOYSA-N 356.853 4.215 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 89927464 YZTZSPKENDEKTI-CALCHBBNSA-N 351.494 4.047 0 40 FIAB C[C@@H]1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)C[C@@H]1n1ccnc1 89930001 MCKROGIYCHBFCP-PBHICJAKSA-N 356.857 4.275 0 40 FIAB C[C@H](Oc1ccccc1)C(=O)N(CCc1cccs1)Cc1ccoc1 90612326 HNCSKTQBYQVHNP-INIZCTEOSA-N 355.459 4.380 0 40 FIAB O=C(Nc1cc(F)c(Br)cc1F)C1(c2ccccc2)CC1 95435476 NXCRHYBYHPOTCY-UHFFFAOYSA-N 352.178 4.398 0 40 FIAB O=C(NCc1ccccc1OC(F)F)c1cc2ccccc2c(Cl)n1 95949146 ZRUKQXPOOXTLEL-UHFFFAOYSA-N 362.763 4.420 0 40 FIAB CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 96052605 UANIAIKDOACKBB-GOSISDBHSA-N 366.505 4.215 0 40 FIAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NCc1ccco1 102273440 PVHZLVSBCBZSNI-SCQRFTTHSA-N 352.272 4.020 0 40 FIAB CCOc1ccc(NC(=O)c2cn(CC)c3ccc(Cl)cc3c2=O)cc1 181826559 WFQQBYWWEAAWTE-UHFFFAOYSA-N 370.836 4.326 0 40 FIAB Cc1cc(C)c(C)c(OCC(=O)N2CCC(Cc3ccccc3)CC2)c1 218965160 ALMHSDCGRCESQU-UHFFFAOYSA-N 351.490 4.472 0 40 FIAB CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(C)c(C)c1 219215926 MYEXHNSCPJIKIX-FQEVSTJZSA-N 350.462 4.311 0 40 FIAB COc1cc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2C)ccc1OC(C)C 219525480 SPKNGOMDDPKHHK-QGZVFWFLSA-N 371.477 4.183 0 40 FIAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 223875535 GWBUPDKJVRJWOK-JSZIULHXSA-N 374.440 4.318 0 40 FIAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COCC(C)C 224445948 ZKKQSXVUGISXHM-UHFFFAOYSA-N 361.869 4.451 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(F)cc2F)c(I)c1 225015547 LCVPZFHKIKCMKA-UHFFFAOYSA-N 373.140 4.130 0 40 FIAB CCOc1ccc(CCC(=O)NCCSC2CCCC2)cc1OCC 225379999 LRYLCSNZIDQTSN-UHFFFAOYSA-N 365.539 4.209 0 40 FIAB O=C(CCc1nc(-c2cccnc2)no1)Nc1c(Cl)cccc1Cl 225834472 QYHIGURHZLHSIC-UHFFFAOYSA-N 363.204 4.010 0 40 FIAB C[C@H]1C[C@H](C)CN(c2c(Br)cc(N)cc2Br)C1 226300931 QGYOXUYFOQRDFY-IUCAKERBSA-N 362.109 4.276 0 40 FIAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257288515 PULJOYWHXSPTOL-KRWDZBQOSA-N 369.396 4.068 0 40 FIAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1onc(C2CCCCC2)c1C 291477214 QEYPOSIHXMMSDG-UHFFFAOYSA-N 366.412 4.420 0 40 FIAB Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)cc1 306139676 TXKJXCNCDKFHCH-NRFANRHFSA-N 365.502 4.095 0 40 FIAB CC1=C(C)C[C@H]2C(=O)N(CCOc3ccc(C(C)(C)C)cc3)C(=O)[C@H]2C1 409377879 LWLLMDJQTBCPOV-KDURUIRLSA-N 355.478 4.094 0 40 FIAB O=C(C[C@H]1CCOC1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 516945871 KFOCNYVZRWHHBN-GFCCVEGCSA-N 370.396 4.118 0 40 FIAB CSC[C@@H](C)C(=O)Nc1nc(-c2c(F)cc(F)cc2F)c(C)s1 518734451 KSPFGEIEZVXXLA-SSDOTTSWSA-N 360.426 4.473 0 40 FIAB O=C(c1cccc2cnccc12)N1CCC(Cc2nc3ccccc3[nH]2)CC1 568755665 PZZCAQNQMYGCRI-UHFFFAOYSA-N 370.456 4.206 0 40 FIAB O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cccc(Oc2nccs2)c1 605623002 ZJHVWYGDPCYDGE-DLBZAZTESA-N 354.406 4.360 0 40 FIAB CN1C(=O)c2ccc(NC(=O)c3cc4c(Cl)cccc4s3)cc2C1=O 630386845 AIJGVUJLUJENJB-UHFFFAOYSA-N 370.817 4.033 0 40 FIAB Cc1ccccc1CN1CCC2(CC1)CC(NC(=O)OC1CCCC1)C2 2056226595 VSYBQVWAWGUCHZ-UHFFFAOYSA-N 356.510 4.408 0 40 FIAB CSc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1 641793 VRTJUWSFRBTWLQ-UHFFFAOYSA-N 354.500 4.306 0 40 FIAB O=C(Nc1cccc(O)c1)c1cc(Br)ccc1Br 682938 SJEUFZRERZDWAP-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB Nc1nc2n(n1)[C@H](c1cccc3ccccc13)C[C@H](c1ccc(F)cc1)N2 803146 RVIOFLYRWVPIOP-MOPGFXCFSA-N 359.408 4.299 0 40 FIAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C)cc1 812054 FKIRZWRFOKFSBX-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB CCOC(=O)c1c(C)n(-c2ccc(N(C)C)cc2)c2ccc(OC)cc12 835758 FBFXADJEPSJZGS-UHFFFAOYSA-N 352.434 4.190 0 40 FIAB Cc1ccc(OC(=O)/C=C/c2ccccc2)c(-n2nc3ccccc3n2)c1 855831 IZGJIJJMGBGIQW-WYMLVPIESA-N 355.397 4.348 0 40 FIAB COc1ccc(N(C(=O)c2ccccc2OC(C)=O)[C@@H](C)C2CC2)cc1 1506056 IMSNRPGKSZCGHS-AWEZNQCLSA-N 353.418 4.066 0 40 FIAB Cc1ccc(C)c(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 2073931 MDJDXHNRKNYZLL-UHFFFAOYSA-N 373.836 4.102 0 40 FIAB CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 2721724 DDFALSWUIDSUDC-UHFFFAOYSA-N 363.435 4.426 0 40 FIAB O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc(Cl)cc1 3228195 OOVIFOSGTFBRQC-UHFFFAOYSA-N 367.626 4.071 0 40 FIAB Cc1cc(C)nc(SCc2ccc(-c3nnc4n3CCCCC4)cc2)n1 3264319 FFYJNGWIXXWGAZ-UHFFFAOYSA-N 365.506 4.371 0 40 FIAB O=C(COc1ccc(Cl)cc1)OCC(=O)c1ccc(Cl)c(Cl)c1 3270361 SCATZADBOOBOHK-UHFFFAOYSA-N 373.619 4.452 0 40 FIAB O=C(NN1c2ccccc2CCc2ccccc21)C(Cl)(Cl)Cl 4154638 XRWJZJJGXCYMPP-UHFFFAOYSA-N 355.652 4.325 0 40 FIAB biogenic CCCCNc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1OC 4247577 IUFVMJUBGOXTPM-HNNXBMFYSA-N 370.449 4.091 0 40 FIAB Cc1cccc2sc(NC(=O)C3(c4cccs4)CCOCC3)nc12 4478937 GCCDRCJUQFNEAE-UHFFFAOYSA-N 358.488 4.353 0 40 FIAB C[C@@H](CC(=O)NCc1ccco1)CC(=O)Nc1cccc(Cl)c1Cl 4682619 JLPHZEBZXGYGFK-NSHDSACASA-N 369.248 4.258 0 40 FIAB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 5110297 VIBPVZSJCIOHRH-UHFFFAOYSA-N 357.431 4.156 0 40 FIAB COc1cc(CN2C(=O)C(=O)c3cccc(C)c32)ccc1OCCC(C)C 5152248 ULTKLUDXBAAYRX-UHFFFAOYSA-N 367.445 4.158 0 40 FIAB Cc1nc2sc3c(c2c2nc(-c4cccc(O)c4)nn12)C[C@H](C)CC3 5340184 IXTJHYVQLWXFDX-SNVBAGLBSA-N 350.447 4.145 0 40 FIAB CS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccccc3Cl)cn12 6017569 QISLOPQTAHZCCP-UHFFFAOYSA-N 362.863 4.273 0 40 FIAB CC[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccc(Cl)cc2)N1 6168603 YPHABXJTGXFUIR-MRXNPFEDSA-N 352.290 4.456 0 40 FIAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(C2CCCCC2)o1 6374188 HSCYOOQGGALEQM-GFCCVEGCSA-N 361.467 4.245 0 40 FIAB NC(=O)CSc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1 6550841 CRRHLVDZDJXAFM-UHFFFAOYSA-N 370.261 4.215 0 40 FIAB Cc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2C)cc1Cl 7006563 BWLLNOGRXDWVKL-UHFFFAOYSA-N 351.797 4.255 0 40 FIAB Fc1ccccc1Cc1nnc2n1N=C(c1ccc(Cl)cc1)CS2 7155997 FEWJSVXKXMOINC-UHFFFAOYSA-N 358.829 4.020 0 40 FIAB aggregator Cc1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)s2)cc1 7319040 OCJRAPJKZRBHGD-UHFFFAOYSA-N 359.838 4.184 0 40 FIAB CC(=O)c1ccc(OC(=O)c2ccc(OCc3cscn3)cc2)cc1 8007455 DSODVFWZQSAERC-UHFFFAOYSA-N 353.399 4.144 0 40 FIAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1C 8040836 FDIAVPIRWUHGCE-GOSISDBHSA-N 361.482 4.341 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1C 8265585 FAVGDWMGDZJRIQ-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB O=C(CCn1c(-c2cccs2)n[nH]c1=S)Nc1ccc2c(c1)CCC2 9364515 KYLJVYFEGUCHLE-UHFFFAOYSA-N 370.503 4.187 0 40 FIAB Cc1[nH]c(S[C@H](C)C(=O)N2CCC(C)CC2)nc1Cc1ccccc1 9946714 WHZUMXISHFNSAB-MRXNPFEDSA-N 357.523 4.048 0 40 FIAB Cc1ccccc1-c1cc(=O)[nH]c(Nc2nc(C)c3cccc(C)c3n2)n1 10157416 VWCQPKLVBCPIDK-UHFFFAOYSA-N 357.417 4.049 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2cnn3C(C)C)cc1 11173721 NXRLPHWYIGPVMJ-OAHLLOKOSA-N 366.465 4.210 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1F 11694400 VOAGBFKWIRBHJO-UHFFFAOYSA-N 357.360 4.192 0 40 FIAB O=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12815747 JTUBIYGMOXSXSA-ZTLYHTANSA-N 372.553 4.033 0 40 FIAB CC(=O)c1cccc(NC(=O)CN2CCC(CCc3ccccc3)CC2)c1 12848369 RZASBGRAICMPJK-UHFFFAOYSA-N 364.489 4.173 0 40 FIAB CC1(C)C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc2O1 13671861 FRUAKTGETGMLOH-INIZCTEOSA-N 365.882 4.062 0 40 FIAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1 14225125 WJYCRTLKNQAIPM-UHFFFAOYSA-N 359.369 4.311 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(C)ccc2OC)cc1 15600624 BREWYXIXXXDCKF-CWUFLNSKSA-N 351.446 4.389 0 40 FIAB O=c1[nH]c(-c2ccccc2F)nc2c1sc(=S)n2Cc1ccccc1 15988057 POCGIZKEUMLOBF-UHFFFAOYSA-N 369.446 4.370 0 40 FIAB C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)N(C)C)c1nc2ccccc2s1 19459813 VFOWKFCUTDVYIE-YVEFUNNKSA-N 373.909 4.430 0 40 FIAB CC(C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCCO2 23058351 ZHBPEDHFLYPWOL-HNNXBMFYSA-N 354.450 4.410 0 40 FIAB Cc1cc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)on1 24415702 IOGKTHAVZFXJDR-UHFFFAOYSA-N 351.431 4.087 0 40 FIAB CN(Cc1ccccc1Cl)C(=O)Cc1csc(-c2ccccn2)n1 26369101 SUJWQBFVAFIUEQ-UHFFFAOYSA-N 357.866 4.060 0 40 FIAB O=C(CNc1cccc(OCc2ccc(F)cc2)c1)NCc1cccs1 26787753 ZGNRCCMIZLTJGT-UHFFFAOYSA-N 370.449 4.195 0 40 FIAB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(F)c(F)cc1Cl 32609941 BQQHQLGOTOTTFD-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(F)cc1F 32610038 MTTSIOJOTAWONU-UHFFFAOYSA-N 365.742 4.254 0 40 FIAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2c(s1)CCCC2 32719968 DGJYSAOKXMXQJC-UHFFFAOYSA-N 354.519 4.021 0 40 FIAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=O)C1CCCCC1)C2 35289816 RCBWQPNTGIJOJM-SEJPIABJSA-N 370.537 4.277 0 40 FIAB CCn1cc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)cn1 36613885 LNNBLQGQMSQAJQ-UHFFFAOYSA-N 361.371 4.033 0 40 FIAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H](c1cccs1)C1CCCC1 40093593 WFRPXIGQIBVCIK-BKTGTZMESA-N 357.475 4.324 0 40 FIAB COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1cc(F)ccc1F 40287321 YWQYGZXWYKVXFC-CYBMUJFWSA-N 355.344 4.283 0 40 FIAB CC(C)C[C@@H](NC(=O)[C@@H](C)OCc1ccccc1)c1nc2ccccc2[nH]1 48109739 RULUWPDKURFWCC-OXQOHEQNSA-N 365.477 4.372 0 40 FIAB OC1=Nc2c(cnn2Cc2ccc(Cl)cc2)[C@H](c2cccc(O)c2)C1 49548218 YUSGNQXEMAGJSH-INIZCTEOSA-N 353.809 4.414 0 40 FIAB CC1CCN([C@@H](C)CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 60156265 VMEDIUXAECSOTF-HOTGVXAUSA-N 370.459 4.436 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 60510320 WQDORJMRPGOABG-HZPDHXFCSA-N 370.518 4.475 0 40 FIAB Cc1cccc(C(=O)OC[C@H]2CCCCO2)c1NC(=O)c1ccccc1F 67634266 BCDSSIOSDFJNKM-OAHLLOKOSA-N 371.408 4.112 0 40 FIAB COc1ccc(-c2cc(C[C@@H]3C[C@H](NC4CCOCC4)C3(C)C)no2)cc1 67890050 LIQBVFBGJNBEEZ-IERDGZPVSA-N 370.493 4.076 0 40 FIAB biogenic,in-vitro CN(Cc1c(F)cccc1Cl)C(=O)CC[C@H]1Cc2ccccc2NC1=O 69743604 VNISNKKXLAFTEM-AWEZNQCLSA-N 374.843 4.029 0 40 FIAB O=C(NCc1ccnc(OC2CCCC2)c1)C1(c2ccc(F)cc2)CCC1 70007542 RYMGXEXSIXKZKN-UHFFFAOYSA-N 368.452 4.280 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]([C@](O)(c2ccccc2)C(F)(F)F)C1 72208779 QLWMCCNWGANNFP-WMLDXEAASA-N 359.388 4.084 0 40 FIAB CC[C@@H](C)Nc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72213519 SGJAZVYCQREVFE-APWZRJJASA-N 373.522 4.126 0 40 FIAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 72238456 DXFJGILFUNNFPZ-LJQANCHMSA-N 370.880 4.454 0 40 FIAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 95959441 XJWPOUSGHFEUKQ-OALUTQOASA-N 373.456 4.112 0 40 FIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 157095802 JXXJFXZFNCHNPX-MRXNPFEDSA-N 352.463 4.127 0 40 FIAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1C 224260809 DKELLXUQAMYJLI-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CCc1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC 224977766 PYQWGQDQTPYRDD-UHFFFAOYSA-N 374.506 4.049 0 40 FIAB COC(=O)c1cccc(NC(=S)NCCCc2ccc(Cl)cc2)c1 225544632 ANKNZFWYIXQTSF-UHFFFAOYSA-N 362.882 4.046 0 40 FIAB CO[C@H](CNC(=O)CSc1ccc(F)cc1)c1ccc(Cl)s1 225702476 AVUGUNDHCQACOF-GFCCVEGCSA-N 359.875 4.137 0 40 FIAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1C[C@H]2C=C[C@H]1C21CC1 247519932 XANOCBFWVYLZRM-XOKHGSTOSA-N 354.450 4.414 0 40 FIAB Fc1ccccc1CN1CCC(c2cccc(Nc3cnccn3)n2)CC1 257200948 AFLCEZZTBZYWNP-UHFFFAOYSA-N 363.440 4.134 0 40 FIAB Fc1ccc(CN2C[C@H]3c4nc(Nc5ccccc5)ncc4C[C@H]3C2)cc1 306131147 JXUSTSWZHHXBMD-FXAWDEMLSA-N 360.436 4.131 0 40 FIAB Cc1ncccc1CNC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 528887489 AOBCUKDJQSPNGD-UHFFFAOYSA-N 373.762 4.306 0 40 FIAB C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)N1CCCc2occc2C1 585083921 FNPSODRHCOGLRW-HNNXBMFYSA-N 373.522 4.239 0 40 FIAB CCSCc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)c(F)c2)no1 598197600 NYKQUHWUXSSBHD-INIZCTEOSA-N 364.442 4.053 0 40 FIAB Cc1ccccc1CN1CCCN(Cc2ncc(-c3ccccc3)o2)CC1 642330709 ZJWUXTDEFIUWPY-UHFFFAOYSA-N 361.489 4.358 0 40 FIAB Cc1cccc(C)c1[C@@H]1CCCN1C(=O)N=c1cc[nH]cc1Br 666492598 REVYBVQTVDOGNT-INIZCTEOSA-N 374.282 4.252 0 40 FIAB CC(C)(C)OC(=O)N1CCC([C@H]2c3c(F)cccc3-c3cncn32)CC1 725328107 ZKMYXGYPKBFKFD-SFHVURJKSA-N 357.429 4.239 0 40 FIAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@@H]1COc2ccccc2O1 725537 PAOAJIZLZJISTJ-JTSKRJEESA-N 373.452 4.163 0 40 FIAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 806727 JMVMIIZMKRDNAG-CQSZACIVSA-N 372.852 4.119 0 40 FIAB O=C(Nc1ccccc1)c1cc(Cl)cn(Cc2ccc(Cl)cc2)c1=O 1400086 GBQHHMWVTCLMDT-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB COc1cc(C(=O)Nc2ccc(OC)c3ccccc23)cc(OC)c1OC 1509835 HZNCROCUIKCFNG-UHFFFAOYSA-N 367.401 4.127 0 40 FIAB CCOC(=O)C(=CNc1cccc(Cl)c1SC(C)C)C(=O)OCC 2381194 ASPPCCGMIFBYMT-UHFFFAOYSA-N 371.886 4.263 0 40 FIAB Cc1nn2c(NCCCN(C)C)cc(C(C)(C)C)nc2c1-c1ccccc1 2430106 FYHJCXOMAWXZDC-UHFFFAOYSA-N 365.525 4.366 0 40 FIAB O=C(CSc1cccc[n+]1[O-])Nc1ccccc1Sc1ccccc1 3222882 GXWPFDSWYAEFAO-UHFFFAOYSA-N 368.483 4.202 0 40 FIAB O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)Nc2ccccc21 3240806 HJMFDHNPLDEHHM-HXUWFJFHSA-N 372.453 4.455 0 40 FIAB CCOc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCC(C)C 3429538 BVDIOQJSVIQGHL-UHFFFAOYSA-N 370.449 4.331 0 40 FIAB CCN(C[C@H](O)c1cccc(O)c1)C(=S)Nc1cccc2ccccc12 3444547 RYQGSULNQNMIHN-FQEVSTJZSA-N 366.486 4.298 0 40 FIAB O=C(COc1ccccc1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 3615523 CXKUNJGNLUQXKL-UHFFFAOYSA-N 350.345 4.041 0 40 FIAB CC[C@H](C(=O)N[C@H](CC(=O)O)c1ccc(OC(C)C)cc1)c1ccccc1 3624676 MYIWNIXDOMVDLE-VQTJNVASSA-N 369.461 4.300 0 40 FIAB COC(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3s2)cc1 4753395 GVPHXONZGBIFON-UHFFFAOYSA-N 372.471 4.122 0 40 FIAB Cc1cccc(-c2nc(CSc3nc4c(c(=O)[nH]3)CCCC4)c(C)o2)c1 4952882 VJEDDTSBNDGDHM-UHFFFAOYSA-N 367.474 4.213 0 40 FIAB Cc1ccccc1-n1ncc2c1ncn1nc(-c3ccc(Cl)cc3)nc21 5244429 GZXOEKPTEBXIJJ-UHFFFAOYSA-N 360.808 4.092 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)c1 5520048 LNQMVKIYFGABMT-UHFFFAOYSA-N 352.463 4.128 0 40 FIAB Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12 6093588 KBMLPMMPXDEYCI-UHFFFAOYSA-N 363.442 4.111 0 40 FIAB CC[C@H]1CCc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2C1 6248769 OLKPNDLVXGCBFL-HNNXBMFYSA-N 370.518 4.352 0 40 FIAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2cc(C)no2)c2ccccc2)c1 6590583 PKGDZSPLHNDGKO-LJQANCHMSA-N 364.401 4.137 0 40 FIAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4cccnc4)c(C)c3cc2c1C 6624357 XZOHQDYGZLGEFD-UHFFFAOYSA-N 362.385 4.041 0 40 FIAB biogenic O=C(Nc1nc2ccccc2[nH]1)c1ccc(NC(=O)c2cccs2)cc1 6657670 PGTXFXVXBNMQLX-UHFFFAOYSA-N 362.414 4.129 0 40 FIAB CCN(CC)C(=O)/C=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl 6882263 QMMTVDMRISOMQH-ZHACJKMWSA-N 366.292 4.428 0 40 FIAB O=C(NCC(F)(F)F)c1cccnc1Nc1cccc(C(F)(F)F)c1 7785217 UAZLOWAULWCVBD-UHFFFAOYSA-N 363.261 4.136 0 40 FIAB O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7929415 ZITPOYSCACMGJF-MRXNPFEDSA-N 365.816 4.452 0 40 FIAB Cc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(C2CC2)c1C 8027008 OWYLKZFMTFYAPG-UHFFFAOYSA-N 366.490 4.304 0 40 FIAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC(C)C)cc3)n2)cc1 8570350 RZUZYHUOXICBOK-UHFFFAOYSA-N 365.433 4.104 0 40 FIAB Cc1nc2c(=O)n([C@H](C)c3ccccc3)nc(-c3cccs3)c2s1 8956029 WXGYLBWKJFZJMO-LLVKDONJSA-N 353.472 4.499 0 40 FIAB Cc1ccc2cc(CN(C(=O)c3ccncc3)c3ccccc3)c(=O)[nH]c2c1 9461961 AIOKQBXWMNPZIG-UHFFFAOYSA-N 369.424 4.079 0 40 FIAB C[S@@](=O)c1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 10577275 HFXHHETUOIRBJW-SANMLTNESA-N 371.458 4.108 0 40 FIAB O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 11300279 JUBMKQRDNQWPIN-UHFFFAOYSA-N 372.833 4.044 0 40 FIAB Cc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)n1 12552650 FGTWEMWILJKBDS-UHFFFAOYSA-N 351.642 4.151 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12591054 OMZWYPCXCUONNB-IBGZPJMESA-N 365.477 4.103 0 40 FIAB CN(Cc1ccc(F)cc1)Cc1nnc(-c2cc3c(s2)CCCC3)o1 12771685 CCLWJRIVRZDPLM-UHFFFAOYSA-N 357.454 4.448 0 40 FIAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccc(F)c1 12807851 GLEMOMJDHXZUQL-OAHLLOKOSA-N 355.240 4.165 0 40 FIAB COc1ccc(-c2cc(CC(=O)Nc3cccc(C)c3C)no2)cc1OC 12868199 ZSHPQSZUDZVDGE-UHFFFAOYSA-N 366.417 4.157 0 40 FIAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(C)cc2Cl)cc1 12935899 VXOICVAGQCLCHK-LJQANCHMSA-N 358.869 4.433 0 40 FIAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)cc1F 12983734 ZGJKSORWKHOHKQ-UHFFFAOYSA-N 367.277 4.422 0 40 FIAB C[C@H](CCc1ccccc1)NS(=O)(=O)Cc1c(Cl)cccc1Cl 13679917 SAKBPXDFEUDHJK-CYBMUJFWSA-N 372.317 4.434 0 40 FIAB C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1ccc(-c2ccccc2)cc1 14230888 LRMQRBAQRUHUST-QGZVFWFLSA-N 364.489 4.227 0 40 FIAB C[C@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NCC(F)(F)F 14736359 BWMLRUQMKGFIGB-NSHDSACASA-N 357.759 4.453 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(Br)s2)cc1 15574274 PPAVXLVYDYDHTA-CYBMUJFWSA-N 366.280 4.497 0 40 FIAB Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N(C)C)o1 15860150 XZBCBXQUKUPNIA-FQEVSTJZSA-N 362.473 4.139 0 40 FIAB CCCc1ccc([C@@H](NC(=O)c2cnc(C)cn2)c2cccs2)cc1 18136396 RPNSGCGONNAGSI-LJQANCHMSA-N 351.475 4.318 0 40 FIAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccc(OC(F)F)cc1 22088419 MAMTYUDSYKAXRB-UHFFFAOYSA-N 369.371 4.215 0 40 FIAB COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)c1 22504199 FGAQLRYFAVPTEF-UHFFFAOYSA-N 365.433 4.028 0 40 FIAB Cc1ccc(Oc2ccc(OCC(=O)N[C@@H](C)c3ccccn3)cc2)cc1 25254698 YBOJWNLFGVKVFC-KRWDZBQOSA-N 362.429 4.439 0 40 FIAB Cc1nc(-c2ccccc2)c(C(=O)NCCCOCc2ccccc2)s1 25680871 HBPQPAZEWDXLSN-UHFFFAOYSA-N 366.486 4.455 0 40 FIAB C[C@@H](Nc1nc2ccccc2s1)C(=O)NCCSCc1ccccc1 28439615 ZEGWFKQESCHOAE-CQSZACIVSA-N 371.531 4.146 0 40 FIAB CC(C)N(c1ccccc1)c1nnc(SCc2cccs2)n(C)c1=O 28538644 DNRSRABWNDIGIQ-UHFFFAOYSA-N 372.519 4.076 0 40 FIAB CCCCc1ccc(C(=O)CSc2nnc3cc(C)nc(C)n23)cc1 33033254 QYZLSSLWLGFLMR-UHFFFAOYSA-N 354.479 4.059 0 40 FIAB Cc1cc(C)cc(C[C@H](C(=O)O)[C@H](C)C(=O)Nc2ccc(Cl)cc2)c1 35142344 WPOZRAXLPOUEII-KSSFIOAISA-N 359.853 4.475 0 40 FIAB C[C@H](Cc1ccco1)NC(=O)c1ccccc1OCc1ccc(F)cc1 40074724 XYRCZYOPYUFQER-OAHLLOKOSA-N 353.393 4.359 0 40 FIAB CC[C@H](CNC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccccc1 40086814 KJWPWGSLXAIULA-QGZVFWFLSA-N 373.456 4.258 0 40 FIAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2c(CC)ccc(Cl)c2CC)C1 40103338 PXKQOQLPKPXBBQ-CQSZACIVSA-N 366.889 4.272 0 40 FIAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2cccc(Cl)c2)CC1 52635638 UOHPUIYEVWJYAS-HNNXBMFYSA-N 368.868 4.273 0 40 FIAB Cc1cccc(N2CCN(CC(=O)Nc3cccc4ccccc34)CC2)c1C 57577053 ROIHWYSSXVRDAF-UHFFFAOYSA-N 373.500 4.217 0 40 FIAB CCCn1ncc(CN(Cc2ccncc2)Cc2ccc(OC)cc2)c1C 57797045 BLHLMNGCIGMUMN-UHFFFAOYSA-N 364.493 4.208 0 40 FIAB O=C(C=C1CCCCC1)NCc1cn(-c2ccccc2)nc1-c1ccncc1 61340655 DBPSVDKRVNVYHQ-UHFFFAOYSA-N 372.472 4.441 0 40 FIAB CC1CCC(N(C(=O)Nc2nnc(-c3ccccn3)s2)C2CC2)CC1 72311247 PHWYILWNBUVPAO-UHFFFAOYSA-N 357.483 4.175 0 40 FIAB CC(C)[C@@H](C)N(C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)C1CC1 75092407 CARXYBMNRJFYSL-OAHLLOKOSA-N 363.465 4.461 0 40 FIAB CN(C)Cc1cccc(NC(=O)C2(c3cccc(Br)c3)CC2)c1 83851225 IWGPJWMQGABNHG-UHFFFAOYSA-N 373.294 4.181 0 40 FIAB COc1ccc(CCC(=O)N2CCC(CSCc3ccco3)CC2)cc1 85472449 MWDYRFAIHVUQMR-UHFFFAOYSA-N 373.518 4.393 0 40 FIAB O=C(NCc1ccc(F)cc1)NCc1ccc(C(=O)c2cccs2)s1 90610607 YQKPFQYZAGIYPP-UHFFFAOYSA-N 374.462 4.179 0 40 FIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1ccccn1 95479096 QSLMEOXULJQKKP-QGZVFWFLSA-N 353.853 4.027 0 40 FIAB O=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1C(F)(F)F 96103839 ZHHVUQIFTGDSLA-UHFFFAOYSA-N 365.380 4.060 0 40 FIAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 97632509 NAFISLZINBYCSH-RISCZKNCSA-N 365.886 4.177 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)C[C@@H](c2ccccc2O)C1 102607495 XFJVJPAREWWFOH-JLTOFOAXSA-N 358.401 4.049 0 40 FIAB Cc1ccsc1C(=O)Nc1cnn(-c2ccccc2Br)c1 154947719 DXRHXBVXIMPRPQ-UHFFFAOYSA-N 362.252 4.257 0 40 FIAB CC[Si](CC)(CC)c1c(F)ccc(I)c1F 219798208 KPGQOBXRVASLQA-UHFFFAOYSA-N 354.254 4.285 0 40 FIAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SC(C)C)s1 222618876 UBURJOPDUITPRW-CQSZACIVSA-N 365.524 4.452 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 222898128 JBZANHJFJUXWDT-RBUKOAKNSA-N 354.523 4.381 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)NCc1cccc2ccccc12 223012032 IRJDXRNCKSKSPX-UHFFFAOYSA-N 369.486 4.450 0 40 FIAB O=C(NCCOc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 224124313 GAZHHQMPIJRYBV-UHFFFAOYSA-N 358.869 4.139 0 40 FIAB CCCc1ccc(OCCNC(=O)[C@@H](CC)Oc2ccc(F)cc2)cc1 224449959 ZPTNOSVPGDHLOE-HXUWFJFHSA-N 359.441 4.131 0 40 FIAB CCCOCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCC 224707944 FTHZSFYCDQVLPC-UHFFFAOYSA-N 371.433 4.051 0 40 FIAB CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(Br)cc1 224729194 TXCYKEJGJARGJV-UHFFFAOYSA-N 368.296 4.281 0 40 FIAB O=C(O)[C@@H](Cc1cccc(Br)c1)Oc1ccc(Cl)cc1 225063066 FZVCCNGAORNDRN-CQSZACIVSA-N 355.615 4.177 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C 225338235 DAWYFCXEOAKHGU-UHFFFAOYSA-N 366.461 4.272 0 40 FIAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cc1N1CCCC1=O 225474508 RJXFIGPMZDZZGE-AWEZNQCLSA-N 371.481 4.309 0 40 FIAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(C)n2)cc1OCC 225752324 BWDVOTVNRGUOQW-AWEZNQCLSA-N 359.495 4.235 0 40 FIAB Cc1c(-c2cc3ccccc3oc2=O)cccc1N(C)C(=O)C(F)(F)F 226358275 JHGJHASKVVCYHI-UHFFFAOYSA-N 361.319 4.294 0 40 FIAB COc1ccc(C(C)C)cc1S(=O)(=O)N[C@H](C)CCc1ccccc1 408700780 LTARVDUDKQIQAW-MRXNPFEDSA-N 361.507 4.118 0 40 FIAB CCCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)cc1 408707443 BCFVZORSAVCNAN-UHFFFAOYSA-N 360.498 4.135 0 40 FIAB CC(C)(C)c1csc(C2CCN(C(=O)c3ccnc(C4CC4)n3)CC2)n1 603870196 RSZUNQOVICIYLX-UHFFFAOYSA-N 370.522 4.128 0 40 FIAB CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1 684759126 UXDPKMLAHNSVRK-IBGZPJMESA-N 350.466 4.369 0 40 FIAB Cc1nc(C(=O)Nc2ccc(Br)cc2C)cc(C(F)(F)F)n1 1888866748 DSYAZBFCNVUHHM-UHFFFAOYSA-N 374.160 4.127 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(Cl)c2)NC(=O)N1 641248 BUYWIXITYGBUQX-SFHVURJKSA-N 369.852 4.223 0 40 FIAB COc1ccc(CCNc2ncnc3sc4c(c23)CCCC4)cc1OC 947880 ZSKQZLPLYSPSHL-UHFFFAOYSA-N 369.490 4.242 0 40 FIAB C[C@](O)(CSc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 1388666 ZDLWZAAVGKXWLN-INIZCTEOSA-N 356.274 4.475 0 40 FIAB CN(C)c1ccc([C@H]2CC(=O)c3cnc(NCc4ccccc4)nc3C2)cc1 1407297 DGYBEHPEECVYCP-GOSISDBHSA-N 372.472 4.067 0 40 FIAB CC(C)CCOc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 1436367 UHCGNLWGCMPUNK-IBGZPJMESA-N 355.434 4.057 0 40 FIAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1451690 ROHFEFMYMQVSKB-SFHVURJKSA-N 350.462 4.364 0 40 FIAB NC(=O)c1sc2nc3c(c(-c4ccccc4Cl)c2c1N)CCCC3 2362596 FPTZATQPUGJWPU-UHFFFAOYSA-N 357.866 4.177 0 40 FIAB CCCc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1CCC2 2434258 JIELKZYGFKEEGQ-GFCCVEGCSA-N 368.506 4.272 0 40 FIAB O=C(Nc1ccccc1)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O 3052042 KPYKXLBMFWBKJH-UHFFFAOYSA-N 373.239 4.456 0 40 FIAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1)c1ccccc1 3609864 BUTJOWQIIXZSJG-KRWDZBQOSA-N 374.440 4.195 0 40 FIAB O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 4237295 VXWYWZWSVZJIMM-LSDHHAIUSA-N 368.527 4.258 0 40 FIAB biogenic,in-vitro CCc1ccc(-n2c(C)nnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 4675549 NHRFYMXHFGBQHD-HUUCEWRRSA-N 372.538 4.020 0 40 FIAB Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccccc1)N2 4690410 RBZZMEDGXWFIBU-CABCVRRESA-N 360.248 4.313 0 40 FIAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 4912241 CWKXPNFFKIAZBH-OAHLLOKOSA-N 355.434 4.201 0 40 FIAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)o2)cc1 5210621 RQHYPXHUHVQKDM-UHFFFAOYSA-N 361.373 4.054 0 40 FIAB CC(=O)Oc1ccc2ccccc2c1/C=C1/N=C(c2ccccc2)OC1=O 5378930 FWCYOUZGPZUWRS-CPNJWEJPSA-N 357.365 4.110 0 40 FIAB CSc1nnc(C)n1NC(=O)c1sc2cc(Cl)ccc2c1Cl 6223726 DVKLJMCBHYVXSW-UHFFFAOYSA-N 373.290 4.214 0 40 FIAB CCCOc1c(Br)cc(C(=O)N(CC)CC)cc1OCC 6274206 FIIRCZQOMVAWGK-UHFFFAOYSA-N 358.276 4.119 0 40 FIAB Cc1ccccc1-c1noc(COc2ccc3c4c(c(=O)oc3c2)CCC4)n1 6546158 IYTQYLOUVIVBEJ-UHFFFAOYSA-N 374.396 4.219 0 40 FIAB COC(=O)c1cn(CC(=O)Nc2cccc3ccccc23)c2ccccc12 6950825 VRSLSBCABGKLBV-UHFFFAOYSA-N 358.397 4.220 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(NCc3ccco3)s2)c(C)c1 7161889 LWLXYMFYAAPCJA-UHFFFAOYSA-N 359.476 4.335 0 40 FIAB CCNC(=O)c1cccc(NC(=O)c2ccccc2COc2ccccc2)c1 7717646 XJFWPERTEOPXCY-UHFFFAOYSA-N 374.440 4.268 0 40 FIAB CCOC(=O)c1oc2ccccc2c1COC(=O)/C=C/c1ccc(C)o1 7984894 AMDALBJXZWOIQG-ZHACJKMWSA-N 354.358 4.268 0 40 FIAB CSc1ccc(CN(C)C(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 8037108 DXKWHYNJOBETPG-LJQANCHMSA-N 371.502 4.239 0 40 FIAB COCc1c(C(=O)N[C@@H]2CCOc3ccccc32)sc2cccc(F)c12 8061825 XZLPDOAEPUHCDK-OAHLLOKOSA-N 371.433 4.440 0 40 FIAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc2ccccc2c1 8280103 UBIYMNPEHMKKQQ-UHFFFAOYSA-N 362.477 4.222 0 40 FIAB CCc1ccccc1NC(=S)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 8577647 PBNXVLSZMCWJCQ-AYHJJNSGSA-N 369.534 4.324 0 40 FIAB CC[C@H](c1nc(-c2cc(Cl)ccc2OC)no1)n1cc(Cl)cn1 8782450 VINDFRVFSSANNZ-GFCCVEGCSA-N 353.209 4.248 0 40 FIAB CCOc1cccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=O)oc12 11565684 JOCZHAUCUKWRLT-UHFFFAOYSA-N 357.793 4.406 0 40 FIAB O=C(Cc1cccc(F)c1)N1CCC(c2onc3c2CCCCC3)CC1 12119968 QZMGUBHIHOVPLB-UHFFFAOYSA-N 356.441 4.031 0 40 FIAB Cc1ccccc1C1=NN(C(=O)C(C)C)[C@H](c2ccc3nccnc3c2)C1 12323025 NQJQVHJESGBQHL-NRFANRHFSA-N 358.445 4.272 0 40 FIAB C/C=C\C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(Cl)cc2)cs1 12441820 ZAQSVQSHEYXBTP-ARJAWSKDSA-N 358.854 4.472 0 40 FIAB Cc1cccn2cc(CSc3nnc(/C=C/c4ccc(F)cc4)[nH]3)nc12 12532364 ZDSRPDIEOXSBGR-RMKNXTFCSA-N 365.437 4.363 0 40 FIAB CSc1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)s1 12745180 NGNFCURGQQUAPM-UHFFFAOYSA-N 369.500 4.416 0 40 FIAB CC(C)N(C(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C)c1ccccc1 12893637 YTOFLVBEANNHPG-CQSZACIVSA-N 355.409 4.336 0 40 FIAB Cc1cc(NC(=O)c2cc3ccccc3cc2O)ccc1N1CCCC1=O 12936072 MQNAQIHQCLRLSQ-UHFFFAOYSA-N 360.413 4.233 0 40 FIAB CCOc1ccccc1CCCNC(=O)c1cc2cccc(OC)c2o1 13632537 UNWYGQQHPDFPGN-UHFFFAOYSA-N 353.418 4.203 0 40 FIAB Cc1ccc(-c2csc3ncnc(SCCN4CCOCC4)c23)cc1 13985185 QWLBHJACOBQGDY-UHFFFAOYSA-N 371.531 4.091 0 40 FIAB O=C(CCc1ncc(-c2ccccc2)o1)NCCc1c[nH]c2ccccc12 14047291 SQFDMXJGJSGQPK-UHFFFAOYSA-N 359.429 4.114 0 40 FIAB S=c1nc(/C=C/c2ccccc2)[nH]n1CN1CCc2sccc2C1 14185990 ASDYLOVEMWJVRZ-VOTSOKGWSA-N 354.504 4.188 0 40 FIAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2c(c(=O)[nH]1)CCC2 15973847 LVKSOBNDWLMJCJ-UHFFFAOYSA-N 373.865 4.168 0 40 FIAB Cc1cc(C)c(NC(=O)CCn2cnc3c(C)cccc3c2=O)c(Cl)c1 16468605 WDYZFTDKXZHZGC-UHFFFAOYSA-N 369.852 4.004 0 40 FIAB O=C(NCC1(c2ccccc2Cl)CC1)c1ccccc1CN1CCCC1 19662426 NCZLBUQVROPPJN-UHFFFAOYSA-N 368.908 4.397 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCC3)cc2)cc1 20460916 NXCAVYXXIWAXPQ-QGZVFWFLSA-N 352.478 4.172 0 40 FIAB COc1cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)ccc1OC(F)F 21798481 VQVNNIMFKUDXNF-SECBINFHSA-N 368.405 4.130 0 40 FIAB Cc1cc(C(=O)Nc2ccccc2NC(=O)c2ccc(Cl)cc2)on1 24640689 PBPQBDXJAIKJKV-UHFFFAOYSA-N 355.781 4.141 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 25767434 RYTPEASPAAOGBZ-UHFFFAOYSA-N 364.533 4.261 0 40 FIAB O=C(CCC(=O)c1ccc(F)cc1)Nc1ccccc1N1CCCCC1 28468730 XUWUPUFHSKBEFX-UHFFFAOYSA-N 354.425 4.418 0 40 FIAB C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 28652494 YEZIJIYWOAGXRQ-GCJKJVERSA-N 372.468 4.425 0 40 FIAB COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1OC 33695153 MLJFIPKXCGDBOW-UHFFFAOYSA-N 370.474 4.328 0 40 FIAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cc(F)ccc1Br 36748382 LOLHDYSDLOATBB-UHFFFAOYSA-N 360.186 4.231 0 40 FIAB COc1cccc(/C=C/C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)c1 40150708 OLPLVRMQGGDZBE-JXMROGBWSA-N 365.408 4.289 0 40 FIAB C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 41155715 OSSLSWLRNFPNRX-NSHDSACASA-N 352.217 4.186 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Nc1ccc(Cl)c(C(N)=O)c1 44806504 HHPXTKBAABHULE-CHWSQXEVSA-N 373.884 4.392 0 40 FIAB CC[C@@H](C)C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 45901590 VCDFAFDMTUEBSC-CYBMUJFWSA-N 356.491 4.240 0 40 FIAB Cc1nn2c(nc(NC[C@H](C)Cn3ccnc3C)c3ccccc32)c1Cl 47253413 LBUGPXFENFNWHI-LBPRGKRZSA-N 368.872 4.097 0 40 FIAB Clc1ccc2oc(C3CCN(Cc4nc(C5CC5)no4)CC3)nc2c1 48356244 HKGOMIJHGIUBCJ-UHFFFAOYSA-N 358.829 4.121 0 40 FIAB COCCn1cc(C(=O)N2CCC[C@@H]2c2cccs2)c2ccccc21 57427677 NHTNCHPAHCBSMZ-GOSISDBHSA-N 354.475 4.327 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 57995652 LAKCIXXVOWEKKP-ASJRZHAZSA-N 374.387 4.424 0 40 FIAB COc1ccc(CCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 59386028 QBJCRDWXJVBKIB-UHFFFAOYSA-N 355.478 4.364 0 40 FIAB C[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)c2ccccc2S1 65721332 CPMUKZVAFLXUSK-CYBMUJFWSA-N 366.442 4.166 0 40 FIAB COCCn1ccc2c(C(=O)Nc3nc(C(C)(C)C)cs3)cccc21 79494140 LUYNMMQIRVAAFX-UHFFFAOYSA-N 357.479 4.294 0 40 FIAB CC[C@H](Oc1ccccc1C(C)C)C(=O)Nc1ccc(-n2ccnc2)nc1 95950613 DXJOYUGFEWOXDM-SFHVURJKSA-N 364.449 4.187 0 40 FIAB Cc1ccc(NC(=O)c2ccc3onc(-c4coc(C5CC5)n4)c3c2)nc1 96266484 YBMJTBVHIRQCPF-UHFFFAOYSA-N 360.373 4.316 0 40 FIAB CCN1C/C(=C/c2ccccc2OC)c2nc3ccccc3c(C(=O)O)c2C1 97993218 JJEVRMKTRKEQHK-VBKFSLOCSA-N 374.440 4.318 0 40 FIAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222976518 JOGPTAAXVXFYQC-JKSUJKDBSA-N 353.462 4.219 0 40 FIAB CC[C@@H](NS(=O)(=O)Cc1ccc(C)cc1)c1ccc2c(c1)CCCC2 223076462 DGVSZEAJJUUKDD-OAQYLSRUSA-N 357.519 4.445 0 40 FIAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223416528 SSAKRNRGFWRXCC-IBGZPJMESA-N 372.896 4.202 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC(C)(C)C 223538937 CQPSARQYIQEROU-HNNXBMFYSA-N 373.324 4.425 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1cccc(C)c1C 223945115 JIUHGAMORUUJEY-GOSISDBHSA-N 361.869 4.309 0 40 FIAB C[C@H](CNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccccc1 224333797 QOJUVIMOTMPAFJ-RTBURBONSA-N 350.506 4.452 0 40 FIAB Cc1ccccc1-c1noc(CN(C)C(=O)c2ccc(Cl)cc2F)n1 225021419 SEZCLPGWKFVFLA-UHFFFAOYSA-N 359.788 4.110 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC3CSC3)cc2)cc1OCC 225065526 YQAXNANVYKBRRC-UHFFFAOYSA-N 373.474 4.231 0 40 FIAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 225565837 QRWNKIWDYFWLEN-UHFFFAOYSA-N 353.462 4.471 0 40 FIAB CCOc1ccc(NC(=O)C(C)(C)Br)cc1C(F)(F)F 225786022 GRYFYRGKIVYILO-UHFFFAOYSA-N 354.166 4.216 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3c(C)cc(C)cc3C)n2)c1 225825054 OMSUVUVNFVPGAI-UHFFFAOYSA-N 365.433 4.242 0 40 FIAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1C 226288146 VMVFMUZUMXHQDV-UHFFFAOYSA-N 372.424 4.416 0 40 FIAB COc1ccc2c(c1)CN(C(=O)Nc1cc(F)ccc1OCC1CC1)C2 585090892 WZMWOTRDPKRGEC-UHFFFAOYSA-N 356.397 4.171 0 40 FIAB O=C(O)c1ccccc1-c1ccc(CN2CCO[C@H](c3ccccn3)C2)cc1 585177740 YPLKMCIYIWNEEH-QFIPXVFZSA-N 374.440 4.020 0 40 FIAB CC(C)=CCc1c(O)cc(O)c2c(=O)cc(Oc3ccc(O)cc3)oc12 1077991908 PVBFIZAZNFIMLU-UHFFFAOYSA-N 354.358 4.211 0 40 FIAB biogenic FC(F)c1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)ncn1 1186973368 FTNKUCXSQTXNIL-UHFFFAOYSA-N 359.207 4.048 0 40 FIAB CNC(=O)CC1(CNC(=O)c2ccccc2-c2ccccc2)CCCCC1 1646291162 YEXWIPHIRVATLH-UHFFFAOYSA-N 364.489 4.170 0 40 FIAB O=C(Nc1cccc(C2OCCCO2)c1)c1ccc(Br)cc1 645819 SRISJYINKXEKSY-UHFFFAOYSA-N 362.223 4.137 0 40 FIAB COc1cc(C=O)ccc1OCC(=O)Nc1ccccc1-c1ccccc1 873367 BDHIUCWLCZQDPQ-UHFFFAOYSA-N 361.397 4.192 0 40 FIAB COc1cc(OC)c2c(=O)c(-c3ccc(Br)cc3)coc2c1 1081057 RYYOFGUXIRHUHO-UHFFFAOYSA-N 361.191 4.240 0 40 FIAB biogenic CC(C)(C)NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 1342591 VSTYRJRZSYSMMD-UHFFFAOYSA-N 365.502 4.227 0 40 FIAB Cn1cnnc1-c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 1440324 LRFJZGNRQVCFCD-UHFFFAOYSA-N 368.440 4.253 0 40 FIAB CCCCOC(=O)COc1cc2oc(=O)c(CCC)c(C)c2cc1Cl 1797591 PBFXOEUWFXBGRN-UHFFFAOYSA-N 366.841 4.429 0 40 FIAB CC1(C)C[C@@H](C(=O)NCC[C@@H](Cc2ccccc2)c2ccco2)CCO1 2094150 DPJASJFVYICKJL-OALUTQOASA-N 355.478 4.317 0 40 FIAB biogenic Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4C(=O)O)c3)nc2c1 2283984 XOLMARQBMRCEKE-UHFFFAOYSA-N 371.396 4.260 0 40 FIAB CN(C)CCCNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3241632 MKZLMIQWOVJCAZ-UHFFFAOYSA-N 367.880 4.237 0 40 FIAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 3415137 WACZHZZYPHPSIK-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB CCCCCCOc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 4654008 IODUCBMOEMIBBE-UHFFFAOYSA-N 367.401 4.145 0 40 FIAB COCc1cc(C)nc2sc([C@@H](C)O)c(NC(=O)c3ccccc3)c12 4709469 QSJAUHSMMQPKTL-GFCCVEGCSA-N 356.447 4.057 0 40 FIAB Fc1ccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)cc1 4888043 ZNIGMOYLOKPQJM-AYHJJNSGSA-N 373.497 4.291 0 40 FIAB CC(C)(C)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 5079478 MFXSSERDEYRJBJ-UHFFFAOYSA-N 358.821 4.343 0 40 FIAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C)n2)cc1 5180336 SJZNCUBGUDVICX-UHFFFAOYSA-N 352.463 4.073 0 40 FIAB O=c1c2c(nc3n1CCS3)c1ccccc1n2Cc1ccc(Cl)cc1 5451352 FVODTIBYJWGRCW-UHFFFAOYSA-N 367.861 4.159 0 40 FIAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C)cc1 7050579 VACAXQBZHFIDRM-ZDUSSCGKSA-N 361.463 4.096 0 40 FIAB CCN1CCN(c2ccccc2NC(=O)Cc2cccc3ccccc23)CC1 7107253 LMLJZKGATFEKJG-UHFFFAOYSA-N 373.500 4.163 0 40 FIAB Fc1ccc(-c2noc(CSc3nc(-c4cccs4)n[nH]3)n2)cc1 7161186 ZWAQYKOWSZRPII-UHFFFAOYSA-N 359.411 4.015 0 40 FIAB O=C(COc1ccccc1F)Nc1nc(-c2ccc(F)c(F)c2)cs1 7339188 DYDJGZHMBKLEDA-UHFFFAOYSA-N 364.348 4.245 0 40 FIAB CCOc1ccc(-c2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1 8297210 UXFRVZIEPXHVOI-UHFFFAOYSA-N 350.443 4.395 0 40 FIAB C=C1c2ccccc2C(=O)N1CC(=O)NC(c1ccccc1)c1ccccc1 8745323 YCXGCBVNIJSCJG-UHFFFAOYSA-N 368.436 4.019 0 40 FIAB Cc1ccc(C)c(NC(=O)C2(S(=O)(=O)c3ccccc3)CCCC2)c1 8754248 NTWJSQZLMUBTHA-UHFFFAOYSA-N 357.475 4.029 0 40 FIAB Cc1ccc(C(=O)NC(=S)/N=c2\[nH]c3ccc(C(C)C)cc3s2)cc1 9015693 ROXOTWNUDMXXJK-UHFFFAOYSA-N 369.515 4.277 0 40 FIAB O=C1NC2=C(CCc3ccccc32)[C@H](c2ccc(Br)cc2)N1 9109161 XTIBAFMYLAETDT-INIZCTEOSA-N 355.235 4.161 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(F)cc2F)o1 9154803 IJMXIZFKFXXQOY-SECBINFHSA-N 350.346 4.280 0 40 FIAB O=C1C[C@H](C(=O)Nc2ccccc2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 9319804 WWEYMRGGKJQCLV-WBVHZDCISA-N 360.413 4.002 0 40 FIAB Cc1cc(F)ccc1NC(=O)COCc1cc(-c2ccc(F)cc2)on1 9436351 XIQNAPTYLLOFKQ-UHFFFAOYSA-N 358.344 4.084 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1c[nH]nc1-c1ccc(Cl)cc1 10192078 WTRUJRVQWKOSRH-UHFFFAOYSA-N 369.808 4.144 0 40 FIAB COc1ccc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 11423518 UFYPISKKVGASBV-UHFFFAOYSA-N 370.836 4.253 0 40 FIAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 12057962 KDXAAELIFCPYTC-OAHLLOKOSA-N 350.393 4.218 0 40 FIAB Cc1cc(-c2snnc2C2CCN(C[C@H](C)c3ccccc3)CC2)on1 12223966 RYTDIAUTYAMEDD-AWEZNQCLSA-N 368.506 4.485 0 40 FIAB COc1ccc(NC(=O)Cc2cnc(-c3ccccc3F)s2)c(OC)c1 12390104 IAAIIOLMXMUIBK-UHFFFAOYSA-N 372.421 4.148 0 40 FIAB CCN(C(=O)[C@@H](C)Sc1nnc(C)n1-c1ccccc1)C1CCCCC1 12558187 GWWXGJWHIIOCII-OAHLLOKOSA-N 372.538 4.238 0 40 FIAB COc1ccccc1CNc1ncc(-c2cnccn2)c(-c2ccoc2C)n1 12739653 LDCNBVFYNHGTIN-UHFFFAOYSA-N 373.416 4.123 0 40 FIAB CCn1ncc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc21 12873980 LHNOSQBALQLPFW-UHFFFAOYSA-N 356.429 4.048 0 40 FIAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1 12984318 BWLICPVYMJHCDA-UHFFFAOYSA-N 365.227 4.279 0 40 FIAB Cc1cnc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cn1 13005732 VNYOFLGVGZDENG-UHFFFAOYSA-N 374.469 4.284 0 40 FIAB O=C(O)Cc1ccc(NC(=O)c2ccccc2COc2ccccc2)cc1 13439238 IVDHDWSSNNTVEB-UHFFFAOYSA-N 361.397 4.145 0 40 FIAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1Cl 13646814 QLDNGTZLHVNXGH-LLVKDONJSA-N 356.274 4.274 0 40 FIAB O=C1CN(C(=O)c2ccccc2CCc2ccccc2)c2ccccc2N1 13688403 BUFARNLPVUXMDH-UHFFFAOYSA-N 356.425 4.071 0 40 FIAB CCOc1ccccc1-c1nnc(SCc2ccc(C(=O)OC)cc2)o1 14093705 GXIDHSBMNITREG-UHFFFAOYSA-N 370.430 4.214 0 40 FIAB CCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C 14257635 RVFKETZMJARULK-UHFFFAOYSA-N 355.488 4.495 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 14397725 QJVXHNAUZTYNIH-CQSZACIVSA-N 374.868 4.132 0 40 FIAB O=C(Nc1ccc(Br)cc1Cl)[C@H]1Cc2ccccc2O1 15608054 KZPZQBSPJMANRX-CQSZACIVSA-N 352.615 4.045 0 40 FIAB Cc1ccc2c(c1)cc(C(=O)N1CCC[C@H](c3cc4ncccc4[nH]3)C1)n2C 19221203 RORYEBZZGADEFZ-INIZCTEOSA-N 372.472 4.383 0 40 FIAB COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cccc(O)c2O3)c(OC)c1 20132940 MOFNIUJAMGHCAH-UHFFFAOYSA-N 368.414 4.225 0 40 FIAB Cc1cccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20143863 UINWXLPALPYNMX-UHFFFAOYSA-N 371.820 4.418 0 40 FIAB Cc1cc(C(=O)O)ccc1NC(=O)COc1c(C)cc(Cl)cc1Cl 20144521 VWQKQPHCRICNNV-UHFFFAOYSA-N 368.216 4.326 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=O)[C@@H](C)Oc1ccccc1C(C)C 20492496 IAUGYJAESYPHNB-MOPGFXCFSA-N 360.542 4.348 0 40 FIAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC(C)C 20493027 UHDZVKAJBZELAR-GOSISDBHSA-N 374.868 4.274 0 40 FIAB COc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1 22237764 UYMVUOWVHNDBEU-UHFFFAOYSA-N 353.447 4.480 0 40 FIAB Cc1ccc(CSc2nnc(NC(=O)c3ccccc3O)s2)cc1 23505342 PCEZWTISKFWOOO-UHFFFAOYSA-N 357.460 4.097 0 40 FIAB Cc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662559 PWMYBIXNPWAWPZ-IBGZPJMESA-N 372.534 4.169 0 40 FIAB CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)[C@H](c2ccccc2)C1 30030079 FVOPLDLRLKAKNS-IBGZPJMESA-N 364.420 4.215 0 40 FIAB O=C(NCCc1ccccc1F)N1CC=C(c2c[nH]c3ccccc23)CC1 32794872 SYESNVOAFNQRQT-UHFFFAOYSA-N 363.436 4.348 0 40 FIAB COC(=O)c1cc(NC(=O)/C=C/c2ccccc2Cl)c(F)cc1F 32908562 VUJAPRJOKQRBLU-VOTSOKGWSA-N 351.736 4.057 0 40 FIAB CC(C)c1ccc(CCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 39750313 IXKDSRZRPHLEII-UHFFFAOYSA-N 364.533 4.381 0 40 FIAB O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2ccccc2F)CC1 39771981 JGYVBQGWMRPBTF-UHFFFAOYSA-N 370.512 4.123 0 40 FIAB C[C@@H](NC(=O)c1cccc2ncccc12)c1cccc(Br)c1 40069414 UAXYAKQJLSMZDV-GFCCVEGCSA-N 355.235 4.488 0 40 FIAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCC(C)C)c(C)c3cc2c1C 40313169 CFDRWMNVTPEFGW-UHFFFAOYSA-N 355.434 4.088 0 40 FIAB biogenic O=C(NCc1ncc(-c2ccccc2)o1)Nc1nc2ccccc2s1 42115036 NHQFYLXAJQHTSB-UHFFFAOYSA-N 350.403 4.273 0 40 FIAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@@H](C)c2ccccc2)c1 48345082 GEDQQKQTTUBOPF-SJORKVTESA-N 352.478 4.025 0 40 FIAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(OC(C)C)cc3F)c2C)cc1 52020102 RCBNYNBXEJNQSB-UHFFFAOYSA-N 368.412 4.063 0 40 FIAB C[C@@H](Sc1nncs1)C(=O)N(C)C1CCC(c2ccccc2)CC1 55201005 ZUIDTUKXOCQQND-IUDNXUCKSA-N 361.536 4.204 0 40 FIAB Fc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 96112926 DWGBGGGQYDLGHV-SFHVURJKSA-N 371.843 4.031 0 40 FIAB biogenic,in-vitro CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cc1 96183007 KGUAHZKEBZRCMP-UHFFFAOYSA-N 352.434 4.346 0 40 FIAB CCOc1c(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cccc1OC 214161618 LSNJSEKCVIKECQ-SFQUDFHCSA-N 369.442 4.330 0 40 FIAB Ic1ccc(-c2nnc(-c3cccs3)o2)cc1 216669322 HASCRELLZKUWSS-UHFFFAOYSA-N 354.172 4.070 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)c1 222995308 FEEKRWGIKKFVCT-IBGZPJMESA-N 355.434 4.276 0 40 FIAB C[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C)c1ccc(Cl)cc1 223097140 OJLHZHMEHKNMDZ-CHWSQXEVSA-N 366.848 4.263 0 40 FIAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cc1C)CCCC2 225073278 REOQPAHPHZMNSV-UHFFFAOYSA-N 365.882 4.337 0 40 FIAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 225163490 YYXMFEBUEPDXDH-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB CCOc1ccccc1CCCNC(=S)Nc1ccccc1OCC 225395393 VICOQADOQWKNHK-UHFFFAOYSA-N 358.507 4.403 0 40 FIAB CCc1ccc(CC)c(CNC(=O)[C@@H](CC)Oc2ccccc2OC)c1 225519334 DCWFOORKIMNFSV-LJQANCHMSA-N 355.478 4.294 0 40 FIAB CCN(CC)CCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225607163 WWMRVJYLOTWWGA-NRFANRHFSA-N 364.530 4.187 0 40 FIAB Cc1ccc(-c2nnc(NS(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 225688845 LFDZSGWYMHLWSO-UHFFFAOYSA-N 373.503 4.240 0 40 FIAB O=C(c1ccc(Cl)s1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253406942 VIFGRAFSFIXXEJ-SECBINFHSA-N 365.867 4.143 0 40 FIAB CCCNC(=O)C1(Cc2cccc(-c3ccccc3OC)c2)CCOCC1 257198284 YCKTXRKPUVGKBT-UHFFFAOYSA-N 367.489 4.228 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1CC 408560636 MGULRPIFGQUXHS-UHFFFAOYSA-N 366.918 4.333 0 40 FIAB COc1ccccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408597425 ZGSUZRULSUYDBX-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C 408678918 KIPLFBRNZFSYRN-QGZVFWFLSA-N 361.825 4.231 0 40 FIAB Cc1ccc(C[C@@H](C)NC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c(C)c1 518723482 CKQGBYRWMUNMMQ-MRXNPFEDSA-N 365.477 4.405 0 40 FIAB Cc1nc(-c2cccc(-c3noc([C@@H]4C[C@]45CCc4ccccc45)n3)c2)n[nH]1 546465387 FGADILSTPYGGRL-AVRDEDQJSA-N 369.428 4.202 0 40 FIAB Cc1cnc(-c2nccnc2[C@H]2CCCN(Cc3ccc4cc[nH]c4c3)C2)[nH]1 585182545 INLWCACNIRGWOT-SFHVURJKSA-N 372.476 4.036 0 40 FIAB C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cnc3c(F)cccc3c2)C1 1531083220 ZHWOUQSEKQGROG-OAQYLSRUSA-N 352.384 4.317 0 40 FIAB Cc1ccnc2ccc(C(=O)Nc3cc(-c4cc(F)cc(F)c4)[nH]n3)cc12 1588139362 DETBPDIOJMBZFP-UHFFFAOYSA-N 364.355 4.464 0 40 FIAB Cc1cnccc1OCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 1889191449 ZMIBMCKUKUMQMB-UHFFFAOYSA-N 359.857 4.366 0 40 FIAB CCOc1cccc(C(=O)Nc2cc(C)ccc2NC(=O)c2ccco2)c1 693057 OTRWOUSZLIHJCQ-UHFFFAOYSA-N 364.401 4.491 0 40 FIAB CC1CCN(C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 819260 LHDLBAAYPWBLIM-UHFFFAOYSA-N 369.336 4.464 0 40 FIAB O=C(Nc1nc2ccc(Br)cc2s1)c1cccc(F)c1 1518598 OBNLKWGZRSLZIT-UHFFFAOYSA-N 351.200 4.450 0 40 FIAB CCCCn1c(CC)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 1804709 XSNXEVXMSPBCKO-UHFFFAOYSA-N 371.506 4.220 0 40 FIAB O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 2354126 JVEVTQCQHMUDFD-UHFFFAOYSA-N 356.381 4.036 0 40 FIAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1 2637598 QQYOKQWKGDGAKA-INIZCTEOSA-N 356.274 4.349 0 40 FIAB COc1cc(SC)ccc1C(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 2656846 JQSGLTPSBNHPQR-LLVKDONJSA-N 364.850 4.499 0 40 FIAB Sc1nnc([C@H]2C[C@H]2c2ccccc2)n1-c1cnn(Cc2ccccc2)c1 2809237 GKABADWWWJNTCF-OALUTQOASA-N 373.485 4.072 0 40 FIAB CC1(C)CN(c2ccc(-c3ccnn3-c3ccc(F)cc3F)cc2)C1=O 4060242 HNSGZDQNEREAHO-UHFFFAOYSA-N 353.372 4.190 0 40 FIAB O=S(=O)(/N=c1/ssc(-c2ccccc2)c1Cl)c1ccccc1 4491697 OZPZLOMLAOHJTJ-BMRADRMJSA-N 367.904 4.420 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)o2)cc1 4602244 SWQVKKGFRGSRSD-NSHDSACASA-N 358.394 4.248 0 40 FIAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 4685750 GYMULKBMDCZDSX-CDNPAEQRSA-N 360.501 4.300 0 40 FIAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(CCc2ccccc2)s1 4696314 ZJTUPVOVPRSKHK-KRWDZBQOSA-N 367.474 4.119 0 40 FIAB CCCC1=C(C(=O)OCC)[C@H](c2ccncc2)n2c(nc3ccccc32)N1 4735545 QQTYAQWTLJYZLO-IBGZPJMESA-N 362.433 4.064 0 40 FIAB O=C(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccco1 5259267 BAPZABUKTOOJKP-UHFFFAOYSA-N 362.433 4.369 0 40 FIAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OCCO2 5611134 NACUBQCBWYWKTB-UHFFFAOYSA-N 374.392 4.165 0 40 FIAB COc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1OC 6236725 IMOULOTXGURJGA-UHFFFAOYSA-N 364.825 4.258 0 40 FIAB Cc1ccnc(NC(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)c1 6276372 APXJMUSCNLSUOU-UHFFFAOYSA-N 370.840 4.146 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2)n1 6810437 UCMBCCPCLYAJMP-UHFFFAOYSA-N 372.675 4.257 0 40 FIAB COC(=O)c1ccc(CN2CCC(c3nc4ccccc4s3)CC2)o1 6848095 WTSULWNBHISQOK-UHFFFAOYSA-N 356.447 4.056 0 40 FIAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 7071357 HKMZRSPJJWFFCQ-RBYWHNRPSA-N 364.445 4.265 0 40 FIAB CCn1nnc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)ccc21 7985903 CLNZJMMMRWPWOT-UHFFFAOYSA-N 368.746 4.376 0 40 FIAB Cc1nn([C@@H](C)CC(=O)n2nc(C)c(Br)c2C)c(C)c1Cl 8714502 INRBWYIDRAMUKJ-ZETCQYMHSA-N 373.682 4.021 0 40 FIAB COC[C@@H](C)NCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 8728532 CALGQOIQNXJWGS-OAHLLOKOSA-N 369.440 4.237 0 40 FIAB Cc1ccccc1OCc1n[nH]c(SCc2cc(-c3ccco3)on2)n1 8749050 LRMGSFMBFYRALQ-UHFFFAOYSA-N 368.418 4.232 0 40 FIAB Cc1cc(O)nc(SCC(=O)c2ccc([C@@H]3CC3(Cl)Cl)cc2)n1 9143574 OGXDNWOUJPSLIV-LBPRGKRZSA-N 369.273 4.127 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)NC1CCCCCC1 9756967 LTZHVQMEFKVJCH-UHFFFAOYSA-N 358.404 4.288 0 40 FIAB CC(C)[C@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccccc1 10285114 IOCVLPBLAUYBPJ-QRWLVFNGSA-N 354.450 4.215 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)OCc1cc(-c2ccc(F)cc2F)on1 11613682 UKQLZHQKQSGJAK-GFCCVEGCSA-N 359.328 4.131 0 40 FIAB Fc1ccc(-c2cnc(-c3ccncc3)c(CNC[C@H]3CCCO3)c2)cc1 12337329 BDDZVFCGOFFZSL-OAQYLSRUSA-N 363.436 4.218 0 40 FIAB CCOc1ncccc1C(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 12599650 LKUPMJUOUSKTSK-UHFFFAOYSA-N 372.428 4.380 0 40 FIAB O=c1cc(CSCc2ccccc2C(F)(F)F)nc2ccccn12 12686830 UJRJBWIICGCLDE-UHFFFAOYSA-N 350.365 4.147 0 40 FIAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCC2=O)cc1 12797480 CXYKQKUFJIQAOS-UHFFFAOYSA-N 362.351 4.080 0 40 FIAB Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1C[C@@H]1CCCO1 13140134 IDMMGLRADVKANV-RHNCAKJLSA-N 355.438 4.162 0 40 FIAB Cc1cc(NC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)no1 14198925 WCBZTJAVCAJBTP-UHFFFAOYSA-N 360.373 4.261 0 40 FIAB COc1ccccc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 14258436 RINHBWLTRYYNTL-UHFFFAOYSA-N 360.413 4.129 0 40 FIAB COc1ccc(OCCCC(=O)Nc2ccccc2Br)cc1 16027571 PZOVLEZQWYSVJL-UHFFFAOYSA-N 364.239 4.255 0 40 FIAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)Nc1nccs1 16850318 QNJMBZLFBPCGKM-UHFFFAOYSA-N 350.856 4.178 0 40 FIAB CCCCn1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2C 17075645 NJBBKBHMKLFHEK-UHFFFAOYSA-N 368.510 4.070 0 40 FIAB O=C(CNc1cccc(Cl)c1Cl)Nc1cccc2nsnc12 19101442 JFXVYOJFVVZRBB-UHFFFAOYSA-N 353.234 4.049 0 40 FIAB CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)C3CCCC3)cc2)C1 19711937 SKAWSTOPHMXVGE-YADHBBJMSA-N 358.526 4.150 0 40 FIAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c1 20460563 LFFHKDBCZNZPLW-OAHLLOKOSA-N 361.869 4.439 0 40 FIAB CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)c1ccccc1 22619170 NIJJTCJVWBEVMY-VXKWHMMOSA-N 366.505 4.142 0 40 FIAB CC[C@H](NC(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1OC 27133826 MBANNDVROUCOAQ-SFHVURJKSA-N 362.433 4.110 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 30756491 CMEKZMQWLZGGFR-KRWDZBQOSA-N 352.478 4.172 0 40 FIAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 30757875 YTRNLUQZDRBTQQ-SNVBAGLBSA-N 362.253 4.313 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 31850789 PMFJEYBUOMGXNL-HNNXBMFYSA-N 360.910 4.169 0 40 FIAB O=C(CCOc1cccc(Cl)c1)NCc1ccc(OC(F)F)cc1 32703534 MVPFZILGSJQUNZ-UHFFFAOYSA-N 355.768 4.027 0 40 FIAB O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21 34804008 DPEXRCOBPACFOO-UHFFFAOYSA-N 362.772 4.231 0 40 FIAB CC(C)c1nnc(C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1 35597636 UHXDWZLFKIWKFH-UHFFFAOYSA-N 367.371 4.232 0 40 FIAB COc1cccc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccccc2)c1 36247011 CGJCANKMGPCYLQ-UHFFFAOYSA-N 367.470 4.399 0 40 FIAB COc1ccc([C@H](NC(=O)CN2c3ccccc3CC[C@H]2C)C2CC2)cc1 36389862 KFPHCNKDXGQSNI-WAIKUNEKSA-N 364.489 4.104 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(N2CCCCCC2)nc1 36397380 IOOODNMXRUBXSK-UHFFFAOYSA-N 361.392 4.316 0 40 FIAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccccc2)ccc1Cl 41008030 DLYXKCDYPMZOQV-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB C[C@@]12CCC(=O)C=C1[C@H]1C[C@H]1[C@H]1[C@H]2CC[C@]2(C)[C@@H]1[C@H]1C[C@H]1[C@]21CCC(=O)O1 44675964 METQSPRSQINEEU-FAGAJGKESA-N 366.501 4.306 0 40 FIAB COCc1nc2ccccc2c(C)c1C(=O)OCc1nc2ccccc2o1 48290920 SJILIWZWOOPTOW-UHFFFAOYSA-N 362.385 4.188 0 40 FIAB O=C(CCCc1cccs1)NCCc1ccc(OC(F)(F)F)cc1 48353644 RZYWERIXGJWLOY-UHFFFAOYSA-N 357.397 4.328 0 40 FIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1F 49005511 ZNHMVCJPOLRNCR-UHFFFAOYSA-N 352.413 4.303 0 40 FIAB FC(F)(F)c1ccc(N2CCC(Nc3cnc4ccccc4n3)CC2)nc1 52162956 BFJICEKOWZXFGC-UHFFFAOYSA-N 373.382 4.125 0 40 FIAB Cc1cc(Br)c(S(=O)(=O)NC2CCCCC2)cc1Cl 54363103 DLJBVFMOYVIYTQ-UHFFFAOYSA-N 366.708 4.022 0 40 FIAB Cc1noc(CNc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)n1 55879077 HYKJXQQEKCHHSD-UHFFFAOYSA-N 362.861 4.048 0 40 FIAB CC(C)c1ccc(-c2nc3cc(N4C[C@H](C(=O)O)CC4=O)ccc3o2)cc1 57327245 UUYWVQAOEGXPRE-OAHLLOKOSA-N 364.401 4.056 0 40 FIAB CNc1nc2c(s1)[C@@H](c1cc(Br)ccc1OC)CC(O)=N2 61717720 ZDIIDZKECDDNCK-SECBINFHSA-N 368.256 4.080 0 40 FIAB Cc1ccsc1[C@@H](O)CNC(=O)C(c1ccccc1)c1ccccc1 70635682 PSOFLOXQEKKEDI-SFHVURJKSA-N 351.471 4.038 0 40 FIAB CCCNc1ncccc1[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 72213173 JFNQYQWFJSQNJD-LJQANCHMSA-N 373.522 4.128 0 40 FIAB COc1ccc(CNC(=O)c2sccc2-c2ccccc2)cc1C(=O)O 95349935 PZSCWYIKNDAQBJ-UHFFFAOYSA-N 367.426 4.052 0 40 FIAB Cn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C1CC1 96099339 KSASUKPOEVXNEI-UHFFFAOYSA-N 357.885 4.079 0 40 FIAB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 100725061 HZLMGZJTPOTYLZ-HJEMKOJISA-N 371.436 4.345 0 40 FIAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2F)o1 156921219 UCOQOWMPMGGJBA-MRXNPFEDSA-N 353.397 4.403 0 40 FIAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 224176570 GXKGHXBAOMGPPE-QGZVFWFLSA-N 367.489 4.090 0 40 FIAB CCOc1cccc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 224281366 FPVUMXNAZCCZTR-UHFFFAOYSA-N 363.479 4.327 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225111938 CHKNUDZZGRKLQF-HNNXBMFYSA-N 374.437 4.018 0 40 FIAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)ccc1Cl 225379435 ZVQVWQSYOPPJGQ-JTQLQIEISA-N 371.915 4.406 0 40 FIAB Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)cc1C 225456055 IHQPRQQMAXENNU-UHFFFAOYSA-N 350.491 4.284 0 40 FIAB O=C(c1cnco1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257259061 KWRLXLGSJQMSRD-MRXNPFEDSA-N 371.824 4.274 0 40 FIAB CCc1ccccc1Nc1cc(-c2cccnc2)nc(C2CCNCC2)n1 257287012 POALBHAAQCMRAI-UHFFFAOYSA-N 359.477 4.312 0 40 FIAB CC(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 257341189 ZJFUXNIBEMBAJR-UHFFFAOYSA-N 352.478 4.041 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)[C@H](Br)CBr 382730571 UGYONKUBFUGNBW-MRVPVSSYSA-N 359.967 4.047 0 40 FIAB C[C@H](NC(=O)c1cc(Br)c2ccccc2c1)c1ccccn1 644941526 XGTUSUNMZRUHJV-LBPRGKRZSA-N 355.235 4.488 0 40 FIAB CC(=O)C(C)(C)CCc1nc(-c2ccc(Br)c(C)c2)no1 682678354 WGVOBKBDXCFBJG-UHFFFAOYSA-N 351.244 4.355 0 40 FIAB O=C(Cn1ccc2ccc(F)cc21)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 1566302403 WCWZLKAHIANLRI-UHFFFAOYSA-N 370.334 4.087 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2cccs2)o1 1888970061 SFGRBRVUKXWWQK-AWEZNQCLSA-N 361.850 4.054 0 40 FIAB COc1cc(OC)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 683180 UDBSCBOHANNEKH-UHFFFAOYSA-N 356.205 4.272 0 40 FIAB COc1ccc(N(C)C(=O)NC(=S)c2cccc3ccccc23)cc1 1096154 AETMUPBDIRHCJF-UHFFFAOYSA-N 350.443 4.370 0 40 FIAB CC(=O)c1cccc(NC(=O)N2CCC(C(=O)c3cccc(F)c3)CC2)c1 1336706 KXBLFFVSYYFZND-UHFFFAOYSA-N 368.408 4.155 0 40 FIAB O=C(Nc1c(Cl)cccc1Cl)c1ccn(COc2ccccc2)n1 2797853 SEKJGTSHYOEUND-UHFFFAOYSA-N 362.216 4.479 0 40 FIAB Cc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1F 3376917 RIFIDJXJAHYEAQ-UHFFFAOYSA-N 368.408 4.120 0 40 FIAB COc1ccc(C(=O)NCCc2sc(-c3cccc(C)c3)nc2C)cc1 4392507 XKGLLEYTKWSLSJ-UHFFFAOYSA-N 366.486 4.408 0 40 FIAB Cc1ccc(N2C(=O)[C@@H]3CS[C@H](c4ccc(Cl)cc4)N3C2=O)cc1 4698529 PQTBDAXTGHRNMG-DOTOQJQBSA-N 358.850 4.231 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1F 6508782 QJSYLHVIKAXYHO-UHFFFAOYSA-N 355.413 4.017 0 40 FIAB CCN(CC)C(=O)[C@H](Sc1nc2ccccc2n1C)c1ccccc1 6930115 MFOQZSOQASZZJL-GOSISDBHSA-N 353.491 4.275 0 40 FIAB O=C(CSc1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 7002808 LXKPQWPMDKYTOG-UHFFFAOYSA-N 367.499 4.229 0 40 FIAB Cc1cccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)c1 7615737 ZEAPTDQOJHDEGG-UHFFFAOYSA-N 351.797 4.255 0 40 FIAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 7928637 HTKQVJKLJFBIFK-OAHLLOKOSA-N 357.837 4.169 0 40 FIAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 8131883 IQFHIXOSWRYRRX-AWEZNQCLSA-N 354.450 4.349 0 40 FIAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)NC(C)(C)C 8174430 YAPLLWAWSYWUBB-VIFPVBQESA-N 357.401 4.044 0 40 FIAB CC[C@@H](CO)NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8326247 RWOXUULJHXUMOH-IBGZPJMESA-N 353.437 4.418 0 40 FIAB COc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1OC 8560696 XWTCUUURDUMUHZ-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB CC1(C)COc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2NC1=O 8959158 PPJLGTSRKYBSSC-UHFFFAOYSA-N 368.477 4.199 0 40 FIAB O=C(CCCc1nc(-c2ccccc2)no1)NC12CC3CC(CC(C3)C1)C2 9154737 YPFFQYHDTPEQHE-UHFFFAOYSA-N 365.477 4.144 0 40 FIAB Cc1ccccc1NC1=NN=C(c2ccc(N3CCCC3=O)cc2)CS1 9909254 MMGWFCLUQOJOET-UHFFFAOYSA-N 364.474 4.041 0 40 FIAB Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c(F)c1 10140062 XVKIJPYPVMMXTG-UHFFFAOYSA-N 365.452 4.434 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1OC(C)C 10684348 LYEULGNQHVSFBX-OAHLLOKOSA-N 354.450 4.254 0 40 FIAB CCOc1ncccc1C(=O)OCc1cc2ccc(C)cc2nc1Cl 11479963 YLTLNUCBHPEYEH-UHFFFAOYSA-N 356.809 4.347 0 40 FIAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1O 11565891 ZAHLGSOUHMNFFV-UHFFFAOYSA-N 363.479 4.414 0 40 FIAB CC[C@@H](NC(=O)c1cc(-c2ccccc2OC)on1)c1ccc(F)cc1 12199860 RZOMDKJHBLBFLY-MRXNPFEDSA-N 354.381 4.370 0 40 FIAB COc1ccccc1-c1ccc(CN2CCC(O)(c3cccnc3)CC2)cc1 12363704 NBDHXPBWZXSGBB-UHFFFAOYSA-N 374.484 4.241 0 40 FIAB Fc1cc(F)cc(Cc2nn3c(-c4cccc(F)c4F)nnc3s2)c1 12389482 GYMJKPQQSFHNBZ-UHFFFAOYSA-N 364.327 4.000 0 40 FIAB Cc1cc(C)cc(C(=O)Nc2nc(CN3C[C@@H](C)C[C@@H](C)C3)cs2)c1 12822793 WFDVHJDCQLVLDL-IYBDPMFKSA-N 357.523 4.490 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)CNC(=O)Nc2ccc(C)cc2)CC1 12941129 STTZDWQYFDLPJA-UHFFFAOYSA-N 359.514 4.228 0 40 FIAB O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCc2ccccc2C1 13654315 PBGKSLJOVQLZPD-UHFFFAOYSA-N 359.454 4.286 0 40 FIAB COC(=O)c1cc(NC(=O)CCSCc2ccccc2)ccc1Cl 13688117 IAMOKSFPFDDTGN-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 15641518 AKMZFTXMONIVTE-ZDUSSCGKSA-N 373.815 4.130 0 40 FIAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)cc1 16608948 MVTUQUDYXZAYQX-WOUAJJJCSA-N 356.510 4.304 0 40 FIAB c1ccc(CN2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)nc1 19376488 SWIDBTGDXMXWTN-GOSISDBHSA-N 357.417 4.017 0 40 FIAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1OC 20143235 YXPYWKFDZJFECP-UHFFFAOYSA-N 367.401 4.017 0 40 FIAB Cc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1cccc2ccccc12 20633653 CYHZUCQBMFRZMH-UHFFFAOYSA-N 360.417 4.127 0 40 FIAB Cc1cc(NC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)no1 21835715 ATSDMNWQYBNGMQ-QGZVFWFLSA-N 360.417 4.418 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)o1 21840532 YXBFGRPVGXNGDO-ATLZPXGXSA-N 350.418 4.182 0 40 FIAB COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)C3CCCC3)nc2c1 22890453 JMOYUZHNIFLUSU-OAHLLOKOSA-N 360.479 4.007 0 40 FIAB COc1cccc(-n2ccnc2SCC(=O)c2ccc(F)cc2F)c1 26045137 TXRKPEVPDWPKDX-UHFFFAOYSA-N 360.385 4.134 0 40 FIAB COC(=O)c1ccc(NCc2cc(=O)oc3c(C)c(C)ccc23)c(C)c1 26782128 CZAWGXVGWDIVPZ-UHFFFAOYSA-N 351.402 4.117 0 40 FIAB Cc1nn(Cc2ccc(C(=O)N3CCCc4ccccc43)o2)c(C)c1Cl 27981161 YMMSQCNOZJDWTQ-UHFFFAOYSA-N 369.852 4.388 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccsc1 30557715 ULZXJYCVRHAUIC-LBPRGKRZSA-N 355.912 4.218 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)N2CCC(CCN3CCCC3)CC2)cc1 32593851 UIWMDKDZDBQRLA-UHFFFAOYSA-N 372.553 4.087 0 40 FIAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 32610155 SYIDIEGERBJKEQ-MRXNPFEDSA-N 359.425 4.425 0 40 FIAB O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCCSc2ccccc21 36833038 LWJMBFVGNOJBOC-UHFFFAOYSA-N 353.422 4.154 0 40 FIAB CN1C(=O)CCc2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc21 38489804 SUAACFKXRSGHAE-UHFFFAOYSA-N 363.339 4.258 0 40 FIAB CC(C)(C)SCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 39755592 YINPXAGVBSWCIQ-UHFFFAOYSA-N 368.974 4.200 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c3c(cccc13)CC2 40158890 OSBFZEOTTQICER-GOSISDBHSA-N 366.461 4.276 0 40 FIAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccccc2F)N1Cc1ccccn1 40485839 JDGQIZSLYWRRAR-HXUWFJFHSA-N 360.388 4.274 0 40 FIAB CC(C)c1ncc(CN(CCCn2ccnc2)Cc2ccc(F)cc2)cn1 43277682 GXQSXTOSRCIKEN-UHFFFAOYSA-N 367.472 4.028 0 40 FIAB S=C(Nc1ccc2c(c1)OCCO2)N1CCCCC[C@H]1c1ccncc1 44082683 SOWVBQYVIYUIHD-KRWDZBQOSA-N 369.490 4.167 0 40 FIAB CNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1 44087493 NYWMCXWLLBIVOF-UHFFFAOYSA-N 357.866 4.031 0 40 FIAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC(C)C)cc2)cc1 44946950 VWNRPSJAFMFDLW-HNNXBMFYSA-N 359.491 4.279 0 40 FIAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 51529319 UEQXCWXBGGHPIZ-HNNXBMFYSA-N 354.475 4.042 0 40 FIAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1Cl 59438168 HUMQVKITRSQFHP-UHFFFAOYSA-N 369.273 4.437 0 40 FIAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H](C)c1ccncc1 72067600 IDORTXUQFNGEFE-CQSZACIVSA-N 365.462 4.214 0 40 FIAB O=C(COc1ccccc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230025 KWZNNOYSISDLSA-NRFANRHFSA-N 367.832 4.439 0 40 FIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC1CCN(C)CC1 78578832 AGWISLNBISLTME-QGZVFWFLSA-N 354.947 4.059 0 40 FIAB O=C(N1CCO[C@@H](c2ccc(F)cc2)C1)C1(c2cccs2)CCCC1 85473038 JGSXBZRRKIMBQZ-QGZVFWFLSA-N 359.466 4.299 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(OCc2ccccc2)no1 85558502 OJOGHAONQPGAGP-INIZCTEOSA-N 350.418 4.005 0 40 FIAB Cc1cccc(Cl)c1NS(=O)(=O)c1ccccc1Br 89065127 PBUJIPYQFCWSQY-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CN(CCCNc1cc(=O)oc2ccccc12)C(=O)c1ccccc1Cl 101660417 XQNYMEORZSLABS-UHFFFAOYSA-N 370.836 4.021 0 40 FIAB CSc1ncc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1-c1ccc(F)cc1 103468983 DGIZVVZHXWYGHA-FHIRATQRSA-N 373.497 4.288 0 40 FIAB O=c1/c(=C/c2ccc3[nH]c4ccccc4c3c2)sc2nc3ccccc3n12 109974405 QCJLQOSNVYHCJM-NDENLUEZSA-N 367.433 4.091 0 40 FIAB Cc1cccc(-c2nc(CC(=O)N(C)Cc3cccc(F)c3)cs2)c1 120539525 JJFBUVQZUUJQDN-UHFFFAOYSA-N 354.450 4.459 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)NCC1(c2ccccc2)CCOCC1 175975250 BUNVHHDNMKNNJD-HXUWFJFHSA-N 367.489 4.017 0 40 FIAB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225049957 XQGIPVFYPHCSKQ-UHFFFAOYSA-N 371.458 4.072 0 40 FIAB CCOC(=O)c1cc(NC(=S)NCc2ccccc2C)ccc1Cl 225309981 RGGOCWMXYUPDPR-UHFFFAOYSA-N 362.882 4.312 0 40 FIAB Nc1cc(C(=O)NC2CC2)ccc1N(Cc1ccccc1)Cc1ccccc1 225437306 PYALJSWJOMERBP-UHFFFAOYSA-N 371.484 4.368 0 40 FIAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(OC)nc2)cc1 225502049 VSEAQWBKKPXGND-QGZVFWFLSA-N 359.495 4.173 0 40 FIAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225703539 QOLIKGFEMOBGJA-NRFANRHFSA-N 364.530 4.331 0 40 FIAB Fc1ccccc1CNC(=S)Nc1ccc(Br)cc1F 225835697 LCBBNQGAADBASY-UHFFFAOYSA-N 357.223 4.214 0 40 FIAB CCCCCC(=O)NC(=S)Nc1cc(C)ccc1-c1ccc(C(=O)O)o1 226350356 YNTUSQYVSMGBBZ-UHFFFAOYSA-N 374.462 4.347 0 40 FIAB COC(=O)c1c(C)n(C(=O)c2cccc(Br)c2)c2ccccc12 226366495 PSNUIABHHMWZIR-UHFFFAOYSA-N 372.218 4.187 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2-c2cn3c(n2)SCC3)cc1 244986088 JFPKGUDATKXPPR-UHFFFAOYSA-N 365.458 4.307 0 40 FIAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)n1 257261085 LFQVJIPYQADEPP-GOSISDBHSA-N 360.461 4.108 0 40 FIAB Cc1nccc(N2CCC(C)(c3ncc(Cc4ccccc4F)o3)CC2)n1 257272838 NECARJXIWBZXIT-UHFFFAOYSA-N 366.440 4.061 0 40 FIAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccc(-c2ccoc2)cc1 390831126 PTWHCVTXLCUUEP-UHFFFAOYSA-N 368.820 4.163 0 40 FIAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(C)c3)C(=O)[C@H]2C1 408689090 YEZFKJKHGSBXGJ-MJGOQNOKSA-N 374.440 4.093 0 40 FIAB C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(-c2ccncc2)cc1 521521001 PCPBMLOQCJOQFK-GOSISDBHSA-N 369.472 4.239 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3Cc3cccc(F)c3)CC2)o1 585100361 JFNVWQXPCBZZLQ-JOCHJYFZSA-N 370.468 4.388 0 40 FIAB C[C@H](NCC(C)(C)c1ccc2c(c1)OCCO2)c1ccc(C(F)F)nc1 657861564 UQWKUCZEVMAVFB-ZDUSSCGKSA-N 362.420 4.419 0 40 FIAB C=CC(=O)Nc1cccc(C(=O)Nc2cccc(Br)c2C)c1 1542726391 VJWHWXLDTMPKMO-UHFFFAOYSA-N 359.223 4.134 0 40 FIAB CC(C)C[C@H](C)NC(=O)c1ccc(Br)cc1Br 682591 LESOGBOQHAMKDQ-VIFPVBQESA-N 363.093 4.376 0 40 FIAB Cc1cccc(CSc2nnc([C@@H](N)Cc3c[nH]c4ccccc34)o2)c1 1270322 PKVXTQRARHBSOV-KRWDZBQOSA-N 364.474 4.394 0 40 FIAB O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1ccc(Br)o1 1431654 ZENFGXRFQXBDFE-UHFFFAOYSA-N 374.116 4.190 0 40 FIAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2)cc1 1451691 ROHFEFMYMQVSKB-GOSISDBHSA-N 350.462 4.364 0 40 FIAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 2190093 UXLPGVYGWKJLDT-OAQYLSRUSA-N 359.425 4.291 0 40 FIAB CN(C)c1ccc(Sc2nnc(NC(=O)c3cccs3)s2)cc1 2305520 ZGCMFKRUPLAOID-UHFFFAOYSA-N 362.505 4.069 0 40 FIAB Clc1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)cc1 2429005 XHRYKXXYJFAVRG-UHFFFAOYSA-N 352.829 4.164 0 40 FIAB O=C(O)C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 3358744 KAQYKEMSSFZDSG-UHFFFAOYSA-N 373.865 4.313 0 40 FIAB CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CCC21OCCO1 4026971 OJRADRUMJUVRPG-BURNTYAHSA-N 356.462 4.211 0 40 FIAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1Cl 4066394 OROIHECPAOZZSZ-INIZCTEOSA-N 350.846 4.091 0 40 FIAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 4148265 SMPSXECPWCOSIB-QGZVFWFLSA-N 372.856 4.096 0 40 FIAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccccc3F)nnc12 4169408 IYLKNDJIUUJJOH-HXPMCKFVSA-N 357.454 4.161 0 40 FIAB CCOc1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 4224025 CZWNZLHADRBNGA-UHFFFAOYSA-N 352.415 4.354 0 40 FIAB O=C(NCCSc1ncc(-c2ccccc2)[nH]1)c1ccc(Cl)cc1 4315571 BUFQWVGIJNLRPJ-UHFFFAOYSA-N 357.866 4.252 0 40 FIAB CCCC(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 4353994 VYBQLUQKHYBVCK-UHFFFAOYSA-N 366.373 4.152 0 40 FIAB Cc1sc(NC(=O)CCSc2ccc(Cl)cc2)c(C(N)=O)c1C 4570404 URHDHPYFVJDLTD-UHFFFAOYSA-N 368.911 4.238 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccc2)cs1 4714736 GJPGHFJEABZMOH-OAHLLOKOSA-N 373.478 4.148 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)c(C)c1 4736130 KRGKWBOHRQBLOM-UHFFFAOYSA-N 370.478 4.467 0 40 FIAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccs3)C2=O)c(C)c1 4746540 IIGLPBMNGPMJEK-DHDCSXOGSA-N 372.471 4.040 0 40 FIAB COc1ccc(C(=O)OCc2ccccc2CN2CCCC[C@H]2C)cc1 5187368 MJEUFNXDZGUHPY-QGZVFWFLSA-N 353.462 4.427 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1 6057511 GBBGSWLLJISDGM-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB C/C=C/C(=O)OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 6461356 MJPPUCBAQYKKIL-ONEGZZNKSA-N 366.442 4.330 0 40 FIAB Cc1ccc2nc(CNc3ccc(OCc4ccccc4)cc3)cc(=O)n2c1 6588957 HAFFNSYRQYVNCB-UHFFFAOYSA-N 371.440 4.194 0 40 FIAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N1CCc2ccccc21 7359822 YKJFOIGXCJTKLK-SFHVURJKSA-N 363.486 4.023 0 40 FIAB COc1ccc(OC)c(-c2csc(NCc3ccccc3OC)n2)c1 7643266 DTUDUPDULPOVLD-UHFFFAOYSA-N 356.447 4.448 0 40 FIAB Cn1c(SCC(=O)N[C@@H]2CCSc3ccccc32)nc2ccccc21 7738525 HSWNMRYDORHOCE-CQSZACIVSA-N 369.515 4.019 0 40 FIAB CC(C)[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 8062006 WRVBDNXPWOFWCC-FQEVSTJZSA-N 359.853 4.167 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)SCc2ccccc2)c1 8224118 AJTHGKHFDJYEPM-GFCCVEGCSA-N 363.866 4.387 0 40 FIAB COc1cccc(CNC(=O)COc2ccc3oc4ccccc4c3c2)c1 8379105 UHKARGGKGIFCLV-UHFFFAOYSA-N 361.397 4.290 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(OC)c(Cl)cc1OC 8493256 CLIJJOGBCCDHNZ-AWEZNQCLSA-N 367.804 4.292 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccccc2F)CCCC1 8746884 GINFVLSEBSJGEA-UHFFFAOYSA-N 368.452 4.113 0 40 FIAB O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCc2ccccc21 9062664 MUOUYJJLDNGRPB-UHFFFAOYSA-N 354.881 4.141 0 40 FIAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 9063081 QLZBPMDUPGKWES-FQEVSTJZSA-N 364.533 4.345 0 40 FIAB COc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 9064000 LUSWGAYFJRAODZ-UHFFFAOYSA-N 355.246 4.129 0 40 FIAB Oc1ccc(-c2nnc3c4ccccc4c(Cc4ccccc4)nn23)cc1 9305184 ICTDGURGSCDTSX-UHFFFAOYSA-N 352.397 4.241 0 40 FIAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)[nH]n2)cc1 11493973 BEJQMVLVHDVXII-UHFFFAOYSA-N 354.793 4.078 0 40 FIAB C[C@@H](Sc1ccccc1)C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 12532229 GEYDLUQNJSXMBP-HZPDHXFCSA-N 365.502 4.450 0 40 FIAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(F)cc1 12782950 NNEURARQAPCSFD-UHFFFAOYSA-N 364.424 4.453 0 40 FIAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc(F)cc1 13695047 RUUCLHJOQDNGQR-UHFFFAOYSA-N 352.409 4.157 0 40 FIAB Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3Cl)CC2)c1C 13710048 CIJUCTOVEYKNFG-QGZVFWFLSA-N 372.896 4.073 0 40 FIAB CC[C@@H](Sc1nc(C)c(-c2ccccc2)[nH]1)C(=O)Nc1cc(C)on1 13945130 JHBVHVMZPIDMAB-CQSZACIVSA-N 356.451 4.191 0 40 FIAB CCCCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)CC)cc2)cc1 14397515 TZFZBWOEWKJNOC-UHFFFAOYSA-N 374.506 4.067 0 40 FIAB COc1ccc(OCCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1 14790063 MBQBOYZODDEGHE-UHFFFAOYSA-N 367.367 4.189 0 40 FIAB O=C(NC1CCCCCCC1)c1nnc(Cc2c(F)cccc2Cl)o1 16383786 YNLVWKKOHSCMRK-UHFFFAOYSA-N 365.836 4.296 0 40 FIAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 16751699 MLMXNPLEJCJZOD-QGZVFWFLSA-N 353.805 4.402 0 40 FIAB C[C@]12CC[C@H]3c4ccc(O)c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O 17419101 WSJCDIBESNMSPH-UNSNBMSVSA-N 351.284 4.372 0 40 FIAB biogenic,in-vitro Cc1ncsc1-c1nnc([C@@H]2CCCN2Cc2cccc(F)c2F)o1 19563028 DVIQCDRKJQLFKD-ZDUSSCGKSA-N 362.405 4.117 0 40 FIAB Cc1c(-c2csc(NC(=O)[C@@H](C)n3ccnc3)n2)c2ccccc2n1C 19581839 ICQLSCRIKXLPJL-CYBMUJFWSA-N 365.462 4.006 0 40 FIAB CCC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc2c(c1)ncn2C 19718410 DTQKPNYRACIEPK-LJQANCHMSA-N 351.450 4.195 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(F)cc2)C4)cc1 20671456 ZLRRPJQYPAKCOH-MRXNPFEDSA-N 372.403 4.152 0 40 FIAB Cc1ccc(-c2nc3c4c(C)c(C)n(-c5cccc(C)n5)c4ncn3n2)cc1 21801642 WVAWGRGQWRHTGK-UHFFFAOYSA-N 368.444 4.364 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 23176892 YFAPNYFHRKGGOK-CYBMUJFWSA-N 374.366 4.086 0 40 FIAB CCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1OC 24578159 GEPUXAOIOZFIFD-UHFFFAOYSA-N 353.340 4.043 0 40 FIAB O=C1c2cccc3c(Cl)ccc(c23)N1C[C@H](O)COc1ccc(F)cc1 32809009 IQWWFOSERHAXKW-ZDUSSCGKSA-N 371.795 4.032 0 40 FIAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1CCC1CCCCC1 35167484 VAIFRLQJIIVDJA-UHFFFAOYSA-N 363.498 4.241 0 40 FIAB CSc1ccc(C)c(C(=O)NCc2ccccc2CN2CCCC2)c1 36700665 OUAYCNYCDMFWCJ-UHFFFAOYSA-N 354.519 4.243 0 40 FIAB COc1ccc([C@H]2CCCN2[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 37458328 KJFQIAUVCHHYBP-BFUOFWGJSA-N 360.404 4.138 0 40 FIAB Cc1cc(NC[C@H]2CCCO2)n2nc(-c3cccc(Cl)c3)c(C)c2n1 40216734 UGVOACLPAUDCIB-MRXNPFEDSA-N 356.857 4.257 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44874699 IDFUGNFIYQMCID-IBGZPJMESA-N 366.505 4.065 0 40 FIAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1)NC1CC1 55600572 PBFHRPLWXGQAAL-LJQANCHMSA-N 355.482 4.155 0 40 FIAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=S)Nc1ccccc1 59294739 AVGJSQIYWDCFCT-UHFFFAOYSA-N 358.854 4.219 0 40 FIAB O=C(c1cnc2ccccc2c1Nc1cccc(F)c1)N1CCSCC1 64471735 DUZLYQSUKMXFAJ-UHFFFAOYSA-N 367.449 4.307 0 40 FIAB O=C(c1ccc(Cn2cccn2)o1)N(CCc1ccccc1)c1ccccc1 69361884 DVNKXZOKVOUYHE-UHFFFAOYSA-N 371.440 4.414 0 40 FIAB CC(C)Oc1ccc([C@H]2CC(O)=Nc3c2cnn3Cc2ccco2)cc1 72406167 WDEZAAJUSPQQRR-QGZVFWFLSA-N 351.406 4.435 0 40 FIAB COc1ccc2c(c1)N(Cc1ncc(-c3ccccc3OC)o1)C[C@H](C)O2 75858091 KAMBXXANDQFELB-AWEZNQCLSA-N 366.417 4.146 0 40 FIAB Cc1cc(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c(C)[nH]1 85433830 CSGKUKCWXBWYQW-UHFFFAOYSA-N 353.491 4.304 0 40 FIAB COc1cc(NC(=O)c2nc(Cl)sc2C(C)C)cc(OC)c1OC 95479513 KLQVBGIRHUVMNB-UHFFFAOYSA-N 370.858 4.198 0 40 FIAB COC[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(-n2cc(C)cn2)c(F)c1 95983707 WZWRUHLLHMZFMJ-PXNSSMCTSA-N 367.468 4.228 0 40 FIAB CSc1ccc(C)c(NC(=O)CCc2nnc(-c3ccsc3)o2)c1 95987012 CXRMNNGCLCLJCX-UHFFFAOYSA-N 359.476 4.400 0 40 FIAB COc1ccc(-c2c(NC(=O)C(C)C)oc3c(C)cccc3c2=O)cc1 100676475 WSOQTDIYNWOYPB-UHFFFAOYSA-N 351.402 4.372 0 40 FIAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cn3ccccc3n2)o1 173621160 JWWISFHBAOWWIU-QAPCUYQASA-N 351.450 4.032 0 40 FIAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224822020 RPIAGXGKWXVPSK-MSOLQXFVSA-N 367.489 4.225 0 40 FIAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 224944627 RHIAIODNKJNDCR-LBPRGKRZSA-N 359.297 4.037 0 40 FIAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 225609074 JUTSZULOWUUFAJ-OAHLLOKOSA-N 357.759 4.212 0 40 FIAB CCCCOc1ccc(NC(=O)[C@@](C)(CC)OCCC)cc1C(=O)OC 225838655 SUKZDIPXFXMATN-HXUWFJFHSA-N 365.470 4.186 0 40 FIAB CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 243225936 KKDMAYMUYIBOPQ-UHFFFAOYSA-N 350.462 4.048 0 40 FIAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](c1ccsc1)c1cccs1 390826984 RSVDQKJZCYHSOC-MRXNPFEDSA-N 367.492 4.325 0 40 FIAB NC(=O)COc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl 408613709 ZOEZOFFIAQEACB-UHFFFAOYSA-N 359.640 4.123 0 40 FIAB O=C(CC[C@H](O)c1ccccc1)Nc1nc2c(s1)CCc1ccccc1-2 409197976 SYWMBLYJADOSLR-KRWDZBQOSA-N 364.470 4.361 0 40 FIAB CO[C@H](C)c1cccc(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1 585100280 ONYRLOSCTAZOCQ-BPAFIMBUSA-N 354.450 4.088 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)s1 624546313 UCCITNFKCIQRHZ-CQSZACIVSA-N 371.437 4.265 0 40 FIAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(Cc2csc(-c3ccccc3)n2)C1 2087146133 JCZJXQWTSOQCFY-SFHVURJKSA-N 371.550 4.279 0 40 FIAB Cc1cc(N2CCN(c3ccccc3)CC2)n2cc(-c3ccccc3)nc2n1 1384168 MAXRYXKRLMYHBO-UHFFFAOYSA-N 369.472 4.031 0 40 FIAB COc1ccc(Oc2c(Cl)cnn(-c3cccc(C)c3C)c2=O)cc1 1392488 IHFUHMAWNKDQGP-UHFFFAOYSA-N 356.809 4.304 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 1779447 UXJQFKJSYKUIRX-UHFFFAOYSA-N 355.434 4.441 0 40 FIAB COC(=O)Cc1c(C)c2ccc(OCc3cccc(Cl)c3)cc2oc1=O 2383329 UPYOQHGKWVGQGB-UHFFFAOYSA-N 372.804 4.049 0 40 FIAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2)cc1 2723207 FURARRJKRBDHBH-UHFFFAOYSA-N 367.474 4.310 0 40 FIAB NC1=C(c2nc3ccccc3s2)CC(=O)N1c1cccc2c1CCCC2 3228727 OJLOQYJKPUZAGF-UHFFFAOYSA-N 361.470 4.239 0 40 FIAB Cc1sc2ncnc(SCC(=O)N[C@@H](C)c3ccccc3)c2c1C 3260943 INOUGAMZXKDHMS-LBPRGKRZSA-N 357.504 4.278 0 40 FIAB COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F 4854287 IPRFOKXPUYQNBX-FQEVSTJZSA-N 365.408 4.273 0 40 FIAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(C)o3)=NN12 4899338 CTNHNBRKPPUWNI-IBGZPJMESA-N 365.477 4.334 0 40 FIAB Sc1nnc(-c2cc(C3CC3)n[nH]2)n1-c1cc(Cl)cc(Cl)c1 5790521 KLTUZKOGSLIQIH-UHFFFAOYSA-N 352.250 4.130 0 40 FIAB COCCn1c(S[C@@H](C)c2ccc(F)cc2)nc2ccccc2c1=O 6035108 VSRWBOJDMLECEV-ZDUSSCGKSA-N 358.438 4.035 0 40 FIAB COCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 6087999 PUMDHJULZLMSPT-UHFFFAOYSA-N 373.456 4.458 0 40 FIAB biogenic CCSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 6097269 ARMOMIAKJVUADQ-UHFFFAOYSA-N 361.264 4.260 0 40 FIAB Cc1ccccc1SCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 6648462 PBXZTXNOKFHGGQ-MRXNPFEDSA-N 351.475 4.150 0 40 FIAB COc1ccc(-c2nc(C(=O)N[C@@H]3CCOc4ccccc43)cs2)cc1 7808500 BHQKYQSAGYAXSL-MRXNPFEDSA-N 366.442 4.072 0 40 FIAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1 7882291 ZZEWVJHKMOKWQT-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB Cc1nc2ccc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)cc2s1 7975870 IMOLWFCJUFEEFW-JTQLQIEISA-N 373.865 4.015 0 40 FIAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1 8012983 KIHAZYQVVKOFDK-UHFFFAOYSA-N 374.419 4.426 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccccc1C 8040835 FDIAVPIRWUHGCE-SFHVURJKSA-N 361.482 4.341 0 40 FIAB COc1cccc(-c2nnc(S[C@H](C)C(=O)c3ccc(C)cc3)n2C)c1 8191661 IDJRPKMDIIAXGV-CQSZACIVSA-N 367.474 4.163 0 40 FIAB COc1ccccc1CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 8277323 OHHMAQPBRVKDOV-UHFFFAOYSA-N 366.465 4.074 0 40 FIAB CC(C)Cn1c(SCc2nc3ccsc3c(=O)[nH]2)nc2ccccc21 8566829 LGVZUUOYUPYVRI-UHFFFAOYSA-N 370.503 4.283 0 40 FIAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCC[C@@H]3C)cs2)cc1OC 8704969 DPFCIMCGKBQHKW-XJKSGUPXSA-N 374.506 4.065 0 40 FIAB O=C(NCc1ccc(COCC(F)(F)F)cc1)Nc1ccccc1F 10383029 LMZZHVVDJRMGDM-UHFFFAOYSA-N 356.319 4.226 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(F)cc2)cs1 10414829 ATHGMXFNBUOZNE-UHFFFAOYSA-N 370.405 4.249 0 40 FIAB CCCOc1cccc(C(=O)Nc2cccc(C(=O)N[C@H](C)CC)c2)c1 12138599 DITDMMWHGROIFJ-OAHLLOKOSA-N 354.450 4.256 0 40 FIAB Cc1oc2c(c1C(=O)N1CCC[C@H](C(=O)c3cccs3)C1)CCCC2 12185344 NOOZJIDFIADQBH-AWEZNQCLSA-N 357.475 4.263 0 40 FIAB O[C@@]12CCCC[C@H]1C1(CCCCC1)NC(=S)N2Cc1ccc(F)cc1 12323507 NCYQTZQZSFZWFX-PXNSSMCTSA-N 362.514 4.098 0 40 FIAB Cc1nn(-c2ccccc2)c2sc(C(=O)N[C@@H](C)c3ccncc3)cc12 12534853 XLSMYYKDECKBSP-ZDUSSCGKSA-N 362.458 4.281 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 12895736 IBXYJDRWYOIIGD-UHFFFAOYSA-N 358.444 4.301 0 40 FIAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(OC)cc(OC)c1 12943280 VBHQEIWWKSZURJ-QWNKOJSDSA-N 357.475 4.315 0 40 FIAB c1cncc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13036181 SMWDGCVHHNVHMP-XMSQKQJNSA-N 371.396 4.053 0 40 FIAB O=C(O)c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1 13094493 JMEGWAWBFTVHFX-UHFFFAOYSA-N 354.587 4.053 0 40 FIAB Cc1ccc(C(=O)O)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 13170180 UOGGISBBQOIRGS-JTQLQIEISA-N 368.216 4.406 0 40 FIAB Cc1cccc(NC(=O)c2sc(=S)n(Cc3ccccc3)c2N)c1 13547214 XYAVQKZFWMLMHC-UHFFFAOYSA-N 355.488 4.470 0 40 FIAB CCOc1ccccc1CCCNC(=O)CCCOc1ccc(OC)cc1 13670861 REZDQNVIPSQSRT-UHFFFAOYSA-N 371.477 4.002 0 40 FIAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 16129962 SUVNHAWBWKFFFR-UHFFFAOYSA-N 353.724 4.299 0 40 FIAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1Br 16301154 OQJVAQVVGUACIV-UHFFFAOYSA-N 358.157 4.398 0 40 FIAB Cc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 17042422 GQFKOIRQDJXLDV-UHFFFAOYSA-N 370.460 4.468 0 40 FIAB Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCCC3)c(=O)[nH]c12 19236481 MHTVNTATDZCIEL-UHFFFAOYSA-N 364.445 4.405 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1OC 20490177 WCPMGJXUDXDGRE-AWEZNQCLSA-N 365.429 4.357 0 40 FIAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nc(-c2cccs2)n[nH]1 21615657 WFFRUJFVEQAKEA-ZDUSSCGKSA-N 372.519 4.063 0 40 FIAB CCC[C@@H](NC(=O)CSCC(=O)Nc1ccccc1F)c1ccccc1 21928725 AJWKJNCQJUDAIP-QGZVFWFLSA-N 374.481 4.155 0 40 FIAB CC1CCC(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 27624094 PRNZHQTZBGSILI-FBPXKMNZSA-N 364.489 4.243 0 40 FIAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cn(-c2ccccc2)nn1 32300808 JXRVUNRHTWDQPG-OUKQBFOZSA-N 367.412 4.085 0 40 FIAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1cccs1 32797663 VACBWJWJTQFCOF-ZDUSSCGKSA-N 361.410 4.293 0 40 FIAB CCOc1ccc(C(C)=O)cc1CSc1ncn(-c2ccccc2)n1 32876428 VTOCBZPYPDJSTL-UHFFFAOYSA-N 353.447 4.161 0 40 FIAB Cc1ccc(NC(=O)COc2cccc(-c3nc(C(C)C)no3)c2)c(C)c1 33012525 MUZQPFXYDPMKRP-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB COc1ccc(NC(=O)Nc2ccc(Nc3ccc(C)nn3)cc2)c(C)c1 35598001 VPMWQLNRVCNZHD-UHFFFAOYSA-N 363.421 4.490 0 40 FIAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1nc(C)cc1C 36627469 AVCZXXCIGWSNAD-UHFFFAOYSA-N 364.511 4.348 0 40 FIAB CCOc1ccc(NC(=O)CN(C)[C@@H](C)c2cc3ccccc3o2)cc1 36717661 MTQMKPRTWLLYEP-HNNXBMFYSA-N 352.434 4.463 0 40 FIAB O=C(CCn1cc(Cl)cn1)N[C@H](c1ccc(F)cc1)c1cccs1 40156177 TYMPDWNLFQCYND-QGZVFWFLSA-N 363.845 4.033 0 40 FIAB CC[C@@H](C(=O)Nc1nn2c(C3CCCCC3)nnc2s1)c1ccccc1 41108822 ATIFLHNYVKJWJX-OAHLLOKOSA-N 369.494 4.366 0 40 FIAB O=C(NCc1ccncc1)c1cc2ccccc2n1Cc1ccccc1F 44261384 NLVOGIIGOYVRLA-UHFFFAOYSA-N 359.404 4.154 0 40 FIAB Cc1nc2ccccn2c1C(=O)N(Cc1ccsc1)Cc1ccco1 44446289 JINFIAUDILOQOM-UHFFFAOYSA-N 351.431 4.140 0 40 FIAB Cc1occc1-c1nn2c(-c3ccc(Br)s3)nnc2s1 44892056 AHJXCTWHSCBCRG-UHFFFAOYSA-N 367.253 4.245 0 40 FIAB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OC(C)C 57610956 KILPKELJTLMBPT-LSFURLLWSA-N 353.344 4.342 0 40 FIAB O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cccc(Cl)c1Cl 57883450 SNUKNWSFSPVYKQ-UHFFFAOYSA-N 360.200 4.408 0 40 FIAB Cc1noc(C)c1COc1cccc(C(=O)N2CCc3ccc(F)cc32)c1 58741309 JVJNKCURLZQMRT-UHFFFAOYSA-N 366.392 4.212 0 40 FIAB CCc1ccsc1C(=O)N(Cc1cccc(OC)c1)C[C@@H]1CCCO1 60101918 YSHQSNFJUKDDGX-SFHVURJKSA-N 359.491 4.141 0 40 FIAB CC1CCN([C@H](C)CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 60156262 VMEDIUXAECSOTF-HZPDHXFCSA-N 370.459 4.436 0 40 FIAB CC(C)Cc1noc(C2(c3cccc(Br)c3)CCOCC2)n1 71890051 AVDZTZNOEVKYNQ-UHFFFAOYSA-N 365.271 4.127 0 40 FIAB CCc1cc(N)cc2nc(-c3ccc(I)cc3)oc12 73642586 XYTRHKPTQWCJRO-UHFFFAOYSA-N 364.186 4.244 0 40 FIAB Cc1ccc(NC(=O)NCCc2nnc(-c3ccccc3)o2)cc1Cl 78991763 SNUQZEVVLJTHCC-UHFFFAOYSA-N 356.813 4.063 0 40 FIAB Cc1ccc(Sc2ncccc2C(=O)NCc2cccc(O)c2)cc1C 89643289 RJCFOKSQUWTDLM-UHFFFAOYSA-N 364.470 4.485 0 40 FIAB C[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)c1nc2ccccc2s1 89901229 YBKUPWORWTVECD-AWEZNQCLSA-N 362.458 4.016 0 40 FIAB C[C@H](CSc1ncn(-c2ccccc2)n1)C(=O)c1ccc(F)c(F)c1 96006604 IUSBOHRSVLONEH-GFCCVEGCSA-N 359.401 4.157 0 40 FIAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cc(Cl)c(O)c(Cl)c1 100189345 WXFQZDQSMMTOJS-BDJLRTHQSA-N 350.249 4.059 0 40 FIAB Cc1ccc(C)c(CC(=O)/N=c2\sc3c(Cl)ccc(C)c3n2C)c1 100987543 LVAMBSDNIRBRFI-VZCXRCSSSA-N 358.894 4.488 0 40 FIAB C[C@H]1CN(Cc2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc2)CCO1 105572871 UFPGYGYRNCAPTQ-JKSUJKDBSA-N 372.896 4.052 0 40 FIAB Cc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1NC(=O)c1ccncc1 107344910 QKBFOMLBTBCJGG-RYQLBKOJSA-N 363.461 4.407 0 40 FIAB CC(C)(CC(=O)NCc1cccs1)CC(=O)Nc1ccc(Cl)cc1 199422044 MRNMWHLKEOYMEE-UHFFFAOYSA-N 364.898 4.463 0 40 FIAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 219044577 HDXMXIBMXUVXHR-ZWKOTPCHSA-N 363.457 4.499 0 40 FIAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1Cl 222752518 LRYHNJCIEYXNID-INIZCTEOSA-N 372.896 4.174 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2cccc3ccccc23)c(C)c1 223556233 IYWCXTPBSLXNKP-SFHVURJKSA-N 363.457 4.419 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2cccc3ccccc23)c1 224086187 ZECFYKRJKVBUMR-SFHVURJKSA-N 363.457 4.419 0 40 FIAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCOc1ccccc1Cl 224166799 RGQXOQRDTZSJPF-HNNXBMFYSA-N 373.880 4.181 0 40 FIAB CC(C)c1ccccc1OCC(=O)NCc1cccc(CN2CCCC2)c1 224635827 BYMWGJYBCWLPEL-UHFFFAOYSA-N 366.505 4.101 0 40 FIAB CCC[C@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 224680754 XVOFLRHXRQKZCF-LUJRCDHRSA-N 356.491 4.132 0 40 FIAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1 224760496 JQUOXUAUCTUNSF-ZDUSSCGKSA-N 353.447 4.174 0 40 FIAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccccc2Cl)cc1 225456161 APXBUAXJGORQRJ-UHFFFAOYSA-N 356.882 4.321 0 40 FIAB CCOc1cccc(NC(=S)NCCCc2ccc(OC)c(OC)c2)c1 225627864 SOEDOGPUXFNEAF-UHFFFAOYSA-N 374.506 4.022 0 40 FIAB CC(C)c1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1 225733649 SBHONENYVLADRV-UHFFFAOYSA-N 354.837 4.417 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC 225850122 UPPVCHIKFPQFBK-KXBFYZLASA-N 357.450 4.047 0 40 FIAB Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)c3nc(N)sc3c2)c1 226312043 BTBYLTAKIVYYAC-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB O=S(=O)(Nc1nc2ccccc2s1)c1ccc2c3c(cccc13)CC2 226862037 OKQFDCYGNCCKGH-UHFFFAOYSA-N 366.467 4.349 0 40 FIAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)C(C)(C)C)CC2)on1 257209174 BPHFXDWXHHWFFJ-WKILWMFISA-N 370.497 4.185 0 40 FIAB COC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 257281982 ORUCHBYQKXEEKU-UHFFFAOYSA-N 358.409 4.014 0 40 FIAB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cn[nH]c1 517984857 HKSFYBYAGFCXDQ-UHFFFAOYSA-N 358.195 4.217 0 40 FIAB CCCN(CC)Cc1ccc(C(=O)N2CCc3ccccc3CC2)cc1 522534540 OFEVMBOPGXNTLE-UHFFFAOYSA-N 350.506 4.160 0 40 FIAB Cn1cc(-c2ccc(CNC(=O)c3ccc(-c4ccsc4)cc3)cn2)cn1 575615230 CRXUVYODXBYJMX-UHFFFAOYSA-N 374.469 4.141 0 40 FIAB Cc1ccc(Oc2ccc(NC(=O)c3cc4ccccc4c(O)n3)cc2)nn1 607679788 IRNAONUGXDKLSC-UHFFFAOYSA-N 372.384 4.083 0 40 FIAB Cc1cccc(-n2cc(CNc3cccc([C@@H]4CCC(=O)N4)c3)c(C)n2)c1 651831498 WNWFRGOWWGCGAK-NRFANRHFSA-N 360.461 4.052 0 40 FIAB C[C@@H]1CN(C(=O)[C@H]2CCOc3ccc(Br)cc32)c2ccccc21 1529238433 BBABFFKOVNUVSO-DOMZBBRYSA-N 372.262 4.466 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NC[C@H](O)c1ccc(-c2ccco2)cc1 1775966789 ZFPVUJLBONNFQA-SFHVURJKSA-N 373.811 4.131 0 40 FIAB CN(C)[C@@H](CNC(=O)CSC1CCCC1)c1csc2ccccc12 1888930306 UOTKWZVEFOVWSD-KRWDZBQOSA-N 362.564 4.296 0 40 FIAB COc1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1 948530 QEPZITTYBJUSRF-UHFFFAOYSA-N 359.414 4.101 0 40 FIAB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)ccc3C)CC2=O)cc1 1015421 LNPNGXUROSXORN-AWEZNQCLSA-N 372.852 4.039 0 40 FIAB O=C(Oc1ccc(Br)cc1Br)c1cccs1 1230019 BANDEXXSUDRQPM-UHFFFAOYSA-N 362.042 4.492 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 1514788 WLPMIDYEFDLPJR-UHFFFAOYSA-N 373.412 4.499 0 40 FIAB CC(C)Cn1c(CCNC(=O)c2ccc(Cl)cc2)nc2ccccc21 2721451 LXGISKVFXORPCC-UHFFFAOYSA-N 355.869 4.318 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 3358851 QWUHRAALWQPQSN-UHFFFAOYSA-N 353.752 4.437 0 40 FIAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)ccc1Cl 3503609 YSZBHVZDPKMQNY-CYBMUJFWSA-N 366.244 4.296 0 40 FIAB COc1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1C 4123916 QUKUMJFNORPEEA-KRWDZBQOSA-N 366.446 4.081 0 40 FIAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)C3CC3)c3ncnn32)cc1 4816524 POFJLWVSMWIQDD-VQTJNVASSA-N 358.445 4.064 0 40 FIAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(C)cc1)C[C@@H](c1ccccc1)N2 5344996 BXNNXZZJJMGKNJ-ZWKOTPCHSA-N 361.449 4.081 0 40 FIAB CC(=O)[C@H]1SC2=NC3=C(CCCC3)[C@H](c3ccccc3Cl)N2C1=O 5379077 POOBBQUXKPPMQE-JKSUJKDBSA-N 360.866 4.112 0 40 FIAB C[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1 5828929 ZJFKCIJCQBUXTR-KRWDZBQOSA-N 359.425 4.461 0 40 FIAB Cc1ccc2c(CSc3nc(-c4ccccc4)n[nH]3)cc(=O)oc2c1C 6178648 OLAKSUWORYZYQW-UHFFFAOYSA-N 363.442 4.487 0 40 FIAB O=C(C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1)c1ccccc1 6665791 XHTPYFWSSVJNKR-HXUWFJFHSA-N 370.477 4.500 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 6964818 UDZMUORMPLWICQ-UHFFFAOYSA-N 363.461 4.279 0 40 FIAB CC(C)[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1cccs1 7120143 KBXRDMKXGVXAHH-NVXWUHKLSA-N 360.504 4.065 0 40 FIAB CCc1cccc(C)c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7400865 FAHWXOBQWIDHEB-UHFFFAOYSA-N 368.521 4.219 0 40 FIAB CC(C)N(CCNC(=O)COc1ccc(Nc2ccccc2)cc1)C(C)C 7735614 CBMGUKVECZENSY-UHFFFAOYSA-N 369.509 4.044 0 40 FIAB CC(=O)CCSc1nnc(-c2ccccc2F)n1Cc1ccccc1 8132688 QCMCZFULDCVPAJ-UHFFFAOYSA-N 355.438 4.204 0 40 FIAB Cc1c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)oc2c(F)cccc12 8230938 QXUCNDSADGQZKR-UHFFFAOYSA-N 352.365 4.025 0 40 FIAB N[C@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2F)o1 8607271 PAFPXMSEPAVMTQ-MRXNPFEDSA-N 368.437 4.225 0 40 FIAB Cc1c(C(=O)NCc2nnc3n2CCCCC3)oc2c1ccc1ccccc12 8734612 DZWXRHPOWRDOOG-UHFFFAOYSA-N 374.444 4.142 0 40 FIAB Cc1ccc(-c2nnc(SCc3nnc(-c4cccs4)o3)o2)cc1 8735087 UMQIGTFJJADBTN-UHFFFAOYSA-N 356.432 4.449 0 40 FIAB FC(F)(F)c1cccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)c1 8990844 VZGWHEBRXLUXET-UHFFFAOYSA-N 358.323 4.417 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)c1cc(Cl)sc1Cl 9368823 FLTUHZQRGJDRAH-UHFFFAOYSA-N 357.262 4.144 0 40 FIAB CC(=O)c1sc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2c1N 9419404 GYGRRLRFZBNDQE-UHFFFAOYSA-N 370.377 4.392 0 40 FIAB CN(C)C1(CNC(=O)c2cc(C3CC3)nc3ccccc23)CCCCC1 9515509 BYAXXIODADOHOC-UHFFFAOYSA-N 351.494 4.107 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(N3CCCCC3)cc2)c1 10113678 AXVFJYZMVLBDTL-UHFFFAOYSA-N 366.461 4.414 0 40 FIAB Cn1ccc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)n1 11204811 ZRRHNBJDODIYKC-UHFFFAOYSA-N 362.408 4.279 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 11609132 WUEZWQWMXHKOOI-UHFFFAOYSA-N 362.473 4.023 0 40 FIAB Cc1ccc(CCC(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)c(C)c1 12532084 HPAZDOHXQWTBQS-OAQYLSRUSA-N 365.452 4.014 0 40 FIAB CCn1nnc2cc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)ccc21 14125432 BWVHHMJRNMVUAP-UHFFFAOYSA-N 363.446 4.135 0 40 FIAB COc1ccc(-c2nc(-c3ccc4c(c3)OCCO4)cs2)cc1OC 14229057 BXFAFEBOBBSPFP-UHFFFAOYSA-N 355.415 4.266 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 14739347 RZNONLAQCDOFJL-IBGZPJMESA-N 364.489 4.148 0 40 FIAB Cc1ccc(NC(=O)CNc2ccc(F)cc2C)c(Br)c1 15126932 WNDQGQSADIPDHS-UHFFFAOYSA-N 351.219 4.256 0 40 FIAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 15883096 HLWAEJBXOANUCC-UHFFFAOYSA-N 352.821 4.111 0 40 FIAB Cc1ccc2c(CSc3nnc(-c4ccc[nH]4)o3)cc(=O)oc2c1C 18365238 CWONDHPDYYDERZ-UHFFFAOYSA-N 353.403 4.080 0 40 FIAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)C12CC3CC(CC(C3)C1)C2 19612769 KPZXKOOCDKCNNX-NSDYXAQKSA-N 366.457 4.180 0 40 FIAB C[C@H]1c2cccn2CCN1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 21315343 RJODNZAMAQVUPE-LBPRGKRZSA-N 362.355 4.134 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 23140430 DCOAPAWHYMDLRK-GFCCVEGCSA-N 372.425 4.349 0 40 FIAB CSc1ncccc1C(=O)N(C)Cc1ccccc1N1CCCCC1 24391467 RBYJYMXLURVAFM-UHFFFAOYSA-N 355.507 4.066 0 40 FIAB O=C(/C=C/c1ccc(Br)o1)Nc1cccc(-c2ccn[nH]2)c1 24895191 GSMFFCUDSGOZBK-FNORWQNLSA-N 358.195 4.084 0 40 FIAB FC(F)(F)c1ccnc(N[C@@H]2CCCc3c2cnn3Cc2ccccc2)n1 25578114 MRRVUUVWVFMTMF-OAHLLOKOSA-N 373.382 4.230 0 40 FIAB Cc1ccc(OCCC(=O)Nc2cc3c(cc2Cl)OCCO3)c(C)c1 32582841 ICMOOPXSVYXFRA-UHFFFAOYSA-N 361.825 4.136 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1C 32837288 OCXJOOKEWAWVFI-AWEZNQCLSA-N 362.882 4.454 0 40 FIAB Cc1ccc(C(=O)NCc2cccc(COCc3ccco3)c2)cc1F 36396296 XZRWACWJKDYHQA-UHFFFAOYSA-N 353.393 4.374 0 40 FIAB CCCN(Cc1ccc(C)cc1)C(=O)c1ccc2c(c1)NC(=O)CCS2 37104744 DVGBVQFHSYRKLZ-UHFFFAOYSA-N 368.502 4.482 0 40 FIAB Cc1cccc(OCC(=O)Nc2c(C)cc3nc(N)sc3c2C)c1C 45890133 HYXZDLDYMPIGLO-UHFFFAOYSA-N 355.463 4.130 0 40 FIAB CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cccc(Cl)c1 48280111 SRIQFSKMHVWDHH-IBGZPJMESA-N 372.900 4.253 0 40 FIAB COc1cc2c(cc1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)oc1ccccc12 48332597 GOGKFFXWRFDUQT-GOEBONIOSA-N 361.401 4.070 0 40 FIAB COc1ccc(-c2nnc([C@H]3CCN(CCCc4ccccc4)C3)o2)cc1 49170115 XRRZNVZAHCTUPC-IBGZPJMESA-N 363.461 4.167 0 40 FIAB biogenic,in-vitro Cc1cc(C)cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 51364424 WKVHGYXAOCRNFQ-IBGZPJMESA-N 358.441 4.462 0 40 FIAB O=C(Nc1ccccc1N1CCOC1=O)c1csc(-c2ccccc2)n1 58159514 KTTLHRHOWSBDEA-UHFFFAOYSA-N 365.414 4.019 0 40 FIAB Cc1nc2ccc(C(=O)Nc3cccc(Cl)c3N(C)C)cc2nc1C 58414514 MBJFJZNPOKNDHP-UHFFFAOYSA-N 354.841 4.218 0 40 FIAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCSCC2)o1 58416179 JEWDVHGRKODCCT-UHFFFAOYSA-N 367.474 4.066 0 40 FIAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N(C2CCCCC2)C2CC2)c1 65513523 PUCITLATSNSPPC-UHFFFAOYSA-N 370.522 4.240 0 40 FIAB COc1ccccc1NC(=O)NCC[C@@H](O)c1cccc2ccccc12 77119011 PHFIDKMCGPDZEZ-LJQANCHMSA-N 350.418 4.094 0 40 FIAB O=C(c1cc(-c2ccccc2)ns1)N1CCO[C@H](c2ccccc2F)C1 78903284 CDJZGKNARZAYDJ-SFHVURJKSA-N 368.433 4.163 0 40 FIAB Cc1coc(-c2cccc(NC(=O)N3CCc4cc(F)ccc4C3)c2)n1 92076475 VFOSKBQAXVTKQP-UHFFFAOYSA-N 351.381 4.379 0 40 FIAB C[C@@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC12CCCCC2 95943431 CMCRIRPMGNSTAS-GOSISDBHSA-N 351.494 4.364 0 40 FIAB CO[C@@H](CNC(=O)NCc1cccc2ccccc12)c1ccc(C)s1 96104889 WCVNUGZIPPDFJD-SFHVURJKSA-N 354.475 4.397 0 40 FIAB O=C(O)c1c(Br)c(Cl)c(F)c(Cl)c1Br 96171736 JIUHFUVIIJSCOP-UHFFFAOYSA-N 366.795 4.356 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccc(O)cc2)C[C@H](c2ccccc2)C1 102590562 BSMRXSHVHZSAAD-MGPUTAFESA-N 358.401 4.049 0 40 FIAB O[C@H]1c2cc3ccccc3nc2SC2=NC(c3ccc(Cl)cc3)=N[C@@H]21 103642244 RZOWQNVKVVXICL-CVEARBPZSA-N 365.845 4.255 0 40 FIAB O=C(Nc1cc(Cl)ccc1Cl)c1cn2c3c(cccc3c1=O)CC2 223092349 TZWIIMTYQNWUAS-UHFFFAOYSA-N 359.212 4.117 0 40 FIAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccccc1 223722681 GXDIUSSMEAZMOK-UHFFFAOYSA-N 353.443 4.300 0 40 FIAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1cccs1 223743919 JVUYWEWOSQEMKF-UHFFFAOYSA-N 359.472 4.361 0 40 FIAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccccc1C(C)C 223789678 DIGAFBZNBNZNRP-HXUWFJFHSA-N 355.478 4.471 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3CCC[C@@H](C)C3)nc2)cc1 223943885 MHOYIOJQGZPDEZ-MRXNPFEDSA-N 354.523 4.113 0 40 FIAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 224074979 IEUJPKMCZXEBRW-ZDUSSCGKSA-N 365.524 4.370 0 40 FIAB CC(C)Oc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c1 224795075 IXCTVOFFHTYEEB-QGZVFWFLSA-N 367.489 4.436 0 40 FIAB COC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCCCC2)cc1Cl 225629851 DITUVYNXVOUDSQ-CYBMUJFWSA-N 355.862 4.042 0 40 FIAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccnc(-c2ccco2)c1 225655287 OJTIRBGGCBLIAK-UHFFFAOYSA-N 370.836 4.469 0 40 FIAB Nc1ccc(N2CCCCC2)c(NC(=O)c2ccccc2Br)c1 226254711 UZXYSKVXVGSXRB-UHFFFAOYSA-N 374.282 4.274 0 40 FIAB COc1cccc(Cc2cc(C)nc([C@H]3CN(CC(C)C)CCO3)c2)c1 257224485 FBZORQSTFCOXKN-JOCHJYFZSA-N 354.494 4.019 0 40 FIAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 408626836 ITUYYUQYJBHROY-CQSZACIVSA-N 371.481 4.331 0 40 FIAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)CC1 408707124 HAQKKYWFRLPIJA-LMDPOFIKSA-N 370.537 4.459 0 40 FIAB CC(C)(c1ccc(NC(=O)N[C@H]2CC23CCOCC3)cc1)C(F)(F)F 516910108 PLSRYMNCQXWTMA-AWEZNQCLSA-N 356.388 4.217 0 40 FIAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC[C@H](c3ncc[nH]3)C1)CC2 548660918 LUSTVCBFDWUOOY-HKUYNNGSSA-N 352.482 4.110 0 40 FIAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccc(F)c(F)c1 575611305 UPCXTHKQNSPNQG-GOSISDBHSA-N 359.397 4.157 0 40 FIAB CC(C)[C@H]1CCO[C@H]1C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 585083165 RZRGHXUCPPVWKC-YLJYHZDGSA-N 372.509 4.091 0 40 FIAB Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2[nH]c3ccc(C)cc3c2Cl)cc1 1332467482 ZVGNANBZHIVQBC-YJYMSZOUSA-N 356.853 4.290 0 40 FIAB Cc1cc(NC(=O)c2cnc(C)nc2-c2ccccc2)n([C@@H](C)C2CC2)n1 1506414437 ZHDRDPGENRBAOR-AWEZNQCLSA-N 361.449 4.180 0 40 FIAB CCCCCC(=O)N1CC[C@H]2CC(=O)Nc3cc(C)ccc3OCC[C@H]2C1 1534646390 IYCIBIAPCFJJIL-ROUUACIJSA-N 372.509 4.151 0 40 FIAB Cc1ccc(N[C@@H](NC(=O)c2ccc(C)cc2)C(=O)c2ccccc2)cc1 631794 AWPBULRHEKLEIY-QFIPXVFZSA-N 358.441 4.354 0 40 FIAB COc1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2c1 951187 BHYYDZSHHRWXIW-UHFFFAOYSA-N 362.838 4.284 0 40 FIAB O=C(c1cccc(Br)c1)N1CCc2c([nH]c3ccccc23)C1 1001094 JHBKRTDKPVNKIA-UHFFFAOYSA-N 355.235 4.129 0 40 FIAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)cc2)c(C)c1 1892648 PDILUZGPCMKYNW-UHFFFAOYSA-N 362.882 4.267 0 40 FIAB CC[C@H](C)OC(=O)c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 2407015 DBCZUJTZMCCGFE-LBPRGKRZSA-N 352.438 4.237 0 40 FIAB COc1ccc(CCN(C)C(=O)/C=C/c2ccc(SC)cc2)cc1OC 3422805 BASJXVYPOOGRHA-XYOKQWHBSA-N 371.502 4.140 0 40 FIAB CC(=O)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 3606902 WHHVBHKEIBMYDW-UHFFFAOYSA-N 359.425 4.174 0 40 FIAB COc1ccc(OC)c(-c2nc(NC(=O)c3ccccc3)sc2C)c1 4551121 MHXRKHRIEKLRDO-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB COc1ccccc1-c1nnc2sc(COc3ccccc3Cl)nn12 4664938 WGQRUWBVKBQMDW-UHFFFAOYSA-N 372.837 4.094 0 40 FIAB CC(C)(C)C(=O)Nc1ncc2c(n1)C[C@H](c1cccc(Cl)c1)CC2=O 4777103 NNYWVZPXMPHASX-LBPRGKRZSA-N 357.841 4.027 0 40 FIAB O=C(OCC(=O)N1CCCCCC1)c1sc2cc(F)ccc2c1Cl 4871127 WDQLLAHXIMNTCO-UHFFFAOYSA-N 369.845 4.253 0 40 FIAB Cc1ccc(C)c(CSc2nc(=O)n(Cc3ccco3)c3c2CCC3)c1 4940142 KRCIELGMZDOWIF-UHFFFAOYSA-N 366.486 4.282 0 40 FIAB CCc1cccc2c(C(=O)COC(=O)[C@@]3(C)CC3(Cl)Cl)c[nH]c12 5030879 TVTROEGUFFDIFT-MRXNPFEDSA-N 354.233 4.040 0 40 FIAB CCc1ccc(-c2ccc(SCC(=O)Nc3nc(C)cs3)nn2)cc1 5107996 LPUCEWYXYLROJQ-UHFFFAOYSA-N 370.503 4.202 0 40 FIAB CCCCC(=O)N1CCN(c2nc3c(C)c(Cl)ccc3s2)CC1 5240057 FDRAPZOKLDUMCS-UHFFFAOYSA-N 351.903 4.097 0 40 FIAB COc1ccc2c(c1)CCc1cc(C(=O)OCc3cc(C)on3)sc1-2 5320871 GNKGJECVOVVFAN-UHFFFAOYSA-N 355.415 4.176 0 40 FIAB CCOc1cc(C(=O)N2c3ccccc3C[C@@H]2C)cc(OCC)c1OCC 6155396 XGAWKJXTIKPLKW-HNNXBMFYSA-N 369.461 4.474 0 40 FIAB CC1=Cc2nc3ccccc3n2[C@]2(C(F)(F)F)OC(c3ccccc3)=NN12 6566933 NHZWGGVORKIIRY-IBGZPJMESA-N 370.334 4.277 0 40 FIAB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)NC3=O)c1 6753326 QXDVNQXPPZKRQH-INIZCTEOSA-N 374.227 4.225 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)OCCCO2 6790032 GZXWZVDTRPEEHP-OAQYLSRUSA-N 357.425 4.043 0 40 FIAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccccc1F 6862062 AQUYRTUCBMGRAW-UHFFFAOYSA-N 371.330 4.051 0 40 FIAB COc1ccc(CCNCc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1 7541077 MJHXDBYSRAUFNN-INIZCTEOSA-N 351.446 4.341 0 40 FIAB CCOc1ccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)nn1 7573308 OFGKFQBNKRFHKB-UHFFFAOYSA-N 353.809 4.448 0 40 FIAB COc1ccc(Cl)cc1NCC(=O)Nc1ccc(OC(F)F)cc1 7972104 KIFNMNOAPXLGCN-UHFFFAOYSA-N 356.756 4.001 0 40 FIAB Cc1cc(OCCCC(=O)NCCc2nc3ccccc3[nH]2)ccc1Cl 8346172 NQPVZUQISBRYHB-UHFFFAOYSA-N 371.868 4.043 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 8355286 FZQVUJJSYIWPKL-HNNXBMFYSA-N 371.477 4.258 0 40 FIAB Fc1cccc(Cl)c1COc1cccc2ccc(N3CCOCC3)nc12 8769707 DOGFGGYRODHETQ-UHFFFAOYSA-N 372.827 4.443 0 40 FIAB COc1ccc(OC)c([C@H]2CC(c3cnn(C)c3)=Nc3ccccc3N2)c1 8782672 BYFVYDWGXLJELA-HXUWFJFHSA-N 362.433 4.115 0 40 FIAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@H]2CCSc3ccccc32)cc1 9366636 ZYSSQQWBZJHKIE-KDOFPFPSSA-N 355.459 4.010 0 40 FIAB C[C@@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccccc1 9454232 QLXDRNHNNFGSJW-GFCCVEGCSA-N 366.244 4.197 0 40 FIAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(C(F)(F)F)cc1 10677700 SZVAEWOPESTSBV-INIZCTEOSA-N 355.381 4.135 0 40 FIAB CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 12219599 LBSSPHPHGKTIDR-UHFFFAOYSA-N 369.490 4.238 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1 12414719 DGDHSVGNYXFSQQ-KRWDZBQOSA-N 360.461 4.047 0 40 FIAB Cc1cccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 12799304 GWNRNCHPZFCYNY-UHFFFAOYSA-N 361.445 4.074 0 40 FIAB Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1C 12943647 LMHIZZBAXWNIQF-UHFFFAOYSA-N 367.474 4.002 0 40 FIAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CC2CCCC2)s1 13330705 CREFXHGMQMXTBH-UHFFFAOYSA-N 368.462 4.487 0 40 FIAB CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(OC)c(F)c2)cs1 14022025 AZLSPAKYWJNFOR-UHFFFAOYSA-N 361.398 4.069 0 40 FIAB Cc1cc(O)nc(S[C@@H](C)C(=O)n2c3ccccc3c3ccccc32)n1 14608354 GOEJSCHLKJOAKI-ZDUSSCGKSA-N 363.442 4.420 0 40 FIAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3ccsc3)no2)c1 15312945 HGUHTLRLHUBNAC-MRXNPFEDSA-N 371.462 4.152 0 40 FIAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)c1ccc(N)cc1 16780016 RSBNWWOTRHKMFL-CQSZACIVSA-N 374.440 4.124 0 40 FIAB CC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17074487 CATQWAOXNRAWEB-UHFFFAOYSA-N 361.879 4.450 0 40 FIAB CCCOc1c(Cc2ccccc2)c(C)nc2cc(C3CCOCC3)nn12 19503791 RHCJEVWCWLLXID-UHFFFAOYSA-N 365.477 4.311 0 40 FIAB Cc1cc2cc(NC(=O)c3ccc(-n4cnnc4)cc3)cc(Cl)c2o1 19659332 AVLFHVSLQRIDFQ-UHFFFAOYSA-N 352.781 4.228 0 40 FIAB CCOc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCC 19872009 GPNXIOHGRPOPIQ-AUUYWEPGSA-N 363.885 4.349 0 40 FIAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 19928204 HMKFFJWDIWVLII-UHFFFAOYSA-N 372.881 4.473 0 40 FIAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 19938176 UXSFMQBKNOKCDA-KPKJPENVSA-N 364.489 4.294 0 40 FIAB COc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1-c1ccc(CO)o1 20138830 RWNOMCMPNZRTJC-UHFFFAOYSA-N 351.402 4.317 0 40 FIAB COc1ccc(-c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1OC 20345673 HQGLFWVEAVXANG-UHFFFAOYSA-N 364.426 4.336 0 40 FIAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C)cc2)C4)cc1 20632443 QJKYILHVCMKLFV-SFHVURJKSA-N 368.440 4.321 0 40 FIAB O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccccc2F)s1 23053478 OJNBWMZGCLJIEM-UVTDQMKNSA-N 373.840 4.344 0 40 FIAB C[C@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(Cl)cc2s1 24562644 KZTVVFYHZWONIB-VIFPVBQESA-N 350.802 4.495 0 40 FIAB CCc1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1 27664453 KFHONNSNZOHYFV-UHFFFAOYSA-N 364.420 4.395 0 40 FIAB CCOC(=O)c1cc2c(nc1NC(=O)Nc1cccc(Cl)c1)CCCC2 28286474 OBXNPRUYQMBQFO-UHFFFAOYSA-N 373.840 4.435 0 40 FIAB CC(C)COc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 28293131 UYIFTQQXBZNVBD-QFIPXVFZSA-N 366.505 4.288 0 40 FIAB COc1ccc2c(c1)[C@H](C)N1C(=O)c3cc(Br)ccc3[C@@H]1O2 35324737 WHKBCPQATIEFFO-XYZCENFISA-N 360.207 4.066 0 40 FIAB Cc1oc2ncn(C3CCCC3)c(=O)c2c1C(=O)Nc1ccc(Cl)cc1 35672724 TZSYJTNPQGGDKX-UHFFFAOYSA-N 371.824 4.319 0 40 FIAB C[C@@H]1CCCC[C@H]1NCc1cc(=O)n2c(-c3ccccc3)csc2n1 40460182 HXMGWRZLDRZTMV-RHSMWYFYSA-N 353.491 4.091 0 40 FIAB Cc1cc(C)c(S(=O)(=O)N(C)C2CCCCC2)cc1Br 41095615 VDYRLGSOKQINTD-UHFFFAOYSA-N 360.317 4.019 0 40 FIAB O=C(NCCCC(=O)N1CCC[C@H]1c1ccsc1)OCc1ccccc1 48234171 VKVKAWRICBCTKG-SFHVURJKSA-N 372.490 4.118 0 40 FIAB CCS(=O)(=O)Nc1ccc(NC(=O)Nc2cccc3ccccc23)cc1 48362559 SRDMWNNRDXCHJL-UHFFFAOYSA-N 369.446 4.245 0 40 FIAB Cn1cc(C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c2ccccc21 56349183 DUHHFTCCVNNFKL-INIZCTEOSA-N 364.445 4.379 0 40 FIAB C[C@H](Nc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1Cl)c1ccccc1 64658249 URLSEOPXVQHWNQ-AWEZNQCLSA-N 367.836 4.399 0 40 FIAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)cc2F)c1 68741080 YCADRJOKCSDVCR-UHFFFAOYSA-N 358.232 4.006 0 40 FIAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(Sc2nncs2)cc1 69370033 KPPVNYIUVFNLFN-SECBINFHSA-N 360.464 4.036 0 40 FIAB Cc1nc2cc(F)ccc2cc1C(=O)NCCc1ccc2ccccc2n1 89536678 ADUWKUKOMCJJOO-UHFFFAOYSA-N 359.404 4.203 0 40 FIAB O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CC[C@@H](c2ccccc2)C1 89759998 UGMUBQBFWWXQDA-MRXNPFEDSA-N 368.864 4.097 0 40 FIAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CN[C@H]1CCc2ccccc2C1 95352956 NSKIPSYYMKTCCX-IBGZPJMESA-N 367.443 4.414 0 40 FIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1ccccn1 95476603 DSWJKJXXRXZBSW-GOSISDBHSA-N 367.880 4.069 0 40 FIAB CC1=C(C(=S)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)NC(=O)N1 100858001 QDPYDLJOMQWGGN-MRXNPFEDSA-N 357.866 4.407 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 104092221 WNGRBYIXSNVYFL-XDQVBPFNSA-N 365.857 4.045 0 40 FIAB C[C@@H](C(=O)N1CCC(c2c[nH]c3ccccc23)CC1)n1cnc2ccccc21 193098898 ZIZHBKDMHSSXRC-INIZCTEOSA-N 372.472 4.485 0 40 FIAB COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1ccccc1Cl 216906845 NWRZQJGKUCDMQC-VQHVLOKHSA-N 357.797 4.063 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCSCc2ccc(Cl)cc2)c1 218948240 YNFJGARXVBLXHG-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB COC(=O)c1cn(C(=O)CSCc2cccc(C)c2)c2ccccc12 222641871 XEMWNLVLRAMHEI-UHFFFAOYSA-N 353.443 4.310 0 40 FIAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1C(C)C 223795123 JJCSWZXHTVHERQ-SFHVURJKSA-N 359.441 4.302 0 40 FIAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(CN2CCCC2)c1 224623991 SBTGGWPHZCUAAI-QFIPXVFZSA-N 366.505 4.065 0 40 FIAB O=S(=O)(Cc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1 224959399 JGRGWBSGCQYBIP-UHFFFAOYSA-N 364.898 4.272 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCc2cccc(OC(C)C)c2)c1 225524237 OUMUDLMHCRYKPS-UHFFFAOYSA-N 372.490 4.137 0 40 FIAB COc1cccc(-c2noc(CCC(=O)Nc3ccccc3SC)n2)c1 225824974 VNHXSJKAPNWSNY-UHFFFAOYSA-N 369.446 4.038 0 40 FIAB CC(C)COc1ccc(NC(=O)C(C)(C)Br)c2cccnc12 225880676 VUDIAVRKYLZDMC-UHFFFAOYSA-N 365.271 4.382 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(C)c2)cc1 226352914 KYSWFRBLBGKIFY-UHFFFAOYSA-N 371.414 4.062 0 40 FIAB Cc1cnccc1CN1CC[C@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257323288 WJNBCRFTLLKTAF-GOSISDBHSA-N 362.477 4.121 0 40 FIAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 408613586 YMHSGIQUSCWWHE-CQSZACIVSA-N 373.305 4.130 0 40 FIAB COc1ccccc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 408627678 OQRHHQOPRMANPG-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)CC)cc1 408674925 FBGPMVNJTNWZLJ-HNNXBMFYSA-N 364.445 4.102 0 40 FIAB C[C@H](N[C@H](C)C1CC(F)(F)C1)c1ccc(NC(=O)c2ccncc2)cc1 529552037 WUJJUTCWSRAUDZ-UONOGXRCSA-N 359.420 4.418 0 40 FIAB C[C@H](Cc1csc2ccccc12)NC(=O)Nc1ccc2c(c1)OCO2 575621702 RLNHPRDMKCVYEA-GFCCVEGCSA-N 354.431 4.383 0 40 FIAB CC1(C)CN(C(=O)c2cccc(Nc3ncccn3)c2)[C@@H]1c1ccccc1 619054742 BHYNFDZTQNDGMM-LJQANCHMSA-N 358.445 4.444 0 40 FIAB Cc1ccnc(C(C)C)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21 1857793359 CIRDRIRDUYTSBM-UHFFFAOYSA-N 367.211 4.053 0 40 FIAB O=C(NC1CC2(CCN(CCc3ccccc3)CC2)C1)OC1CCCC1 2056226303 OZZYGPJFHKABSL-UHFFFAOYSA-N 356.510 4.143 0 40 FIAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CCCC3)o2)cc1 882293 JQVXGBJIOLAMJA-UHFFFAOYSA-N 359.495 4.185 0 40 FIAB CC(=O)O[C@@]12Oc3cc(OCc4ccccc4)ccc3C(C)=C1C[C@H](C)O2 968747 SDLJMPWAFSRIAU-RCDICMHDSA-N 366.413 4.457 0 40 FIAB biogenic O=C(N[C@@H](Nc1ccccc1Cl)C(=O)c1ccccc1)c1cccs1 1013821 NDLZBJYYEKFWDS-GOSISDBHSA-N 370.861 4.452 0 40 FIAB c1ccc(C(CCNc2nnnn2-c2ccccc2)c2ccccc2)cc1 1351944 OVFONLYTBOOHJD-UHFFFAOYSA-N 355.445 4.296 0 40 FIAB O=C(NC1(C(=O)Nc2ccccc2)CCCCC1)c1ccc2ccccc2n1 1418653 RFUVNPCYOORTDL-UHFFFAOYSA-N 373.456 4.306 0 40 FIAB CCOc1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1Cl 2137205 DDNDWXXKFZWNMJ-VAWYXSNFSA-N 360.866 4.265 0 40 FIAB COc1ccc2[nH]c(C)c(CCNCc3ccc(OC)c(C)c3OC)c2c1 2384505 WFLRKQZQAYVLQJ-UHFFFAOYSA-N 368.477 4.143 0 40 FIAB O=C1CCCC[C@H]1Sc1nnc(-c2ccco2)n1Cc1ccccc1 2617235 UUIDBWFMSLNGTP-QGZVFWFLSA-N 353.447 4.190 0 40 FIAB COc1ccc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)cc1 2628515 SMDRAKHFHUXDJA-UHFFFAOYSA-N 363.442 4.481 0 40 FIAB CCN(CC)c1ccc(NC(=O)CN(C)Cc2ccccc2Cl)cc1 3363687 PAFRNTFMSZCWPP-UHFFFAOYSA-N 359.901 4.257 0 40 FIAB Cc1cccc(-c2nnc(SCc3nnc(-c4cccs4)o3)n2C)c1 3544981 VIGLKBSSVUXTFG-UHFFFAOYSA-N 369.475 4.194 0 40 FIAB CC(=O)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1 3626042 BFTDZRXIKCGFOF-UHFFFAOYSA-N 362.539 4.248 0 40 FIAB CC(=O)c1sc(NC(=O)c2ccc(Cc3ccccc3)cc2)nc1C 4075728 MHDBVNROSCBGKP-UHFFFAOYSA-N 350.443 4.497 0 40 FIAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4CCCCC4)c(C)c3cc12 4743808 ODQQJRJSWRZQNB-UHFFFAOYSA-N 367.445 4.410 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2Cl)N3)C1 4980534 WDOJNIIFRLTBGP-AWEZNQCLSA-N 368.289 4.472 0 40 FIAB CCOC(=O)c1c(NC(=O)CSc2ccc(F)cc2)sc(C)c1C 5192375 SPATUQLVOLPLHJ-UHFFFAOYSA-N 367.467 4.412 0 40 FIAB Cc1csc2nc(CSC3=Nc4ccccc4CS3)cc(=O)n12 5325610 FVMCKTAUSGRKIT-UHFFFAOYSA-N 359.501 4.232 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 6056627 KLHYUMPGCXCNAX-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 6551983 RPCOGSGCQFIWHP-UHFFFAOYSA-N 364.372 4.444 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 6589105 KIIGMCFEGGRZCS-UHFFFAOYSA-N 366.461 4.287 0 40 FIAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 6892447 IJMTUZISSFDYLQ-UHFFFAOYSA-N 374.440 4.268 0 40 FIAB Cc1cc(C)cc(-n2c(SC[C@H]3CCCO3)nc3ccccc3c2=O)c1 6992638 WFIDOKPOROMJLD-QGZVFWFLSA-N 366.486 4.274 0 40 FIAB O=C(Cc1coc2cc3c(cc12)CCC3)NCCSCc1ccco1 7064392 DBMBQCKUYKACCR-UHFFFAOYSA-N 355.459 4.107 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc3c(F)cccc3s2)c1C 7250417 KWBWVUXBPUEGLM-UHFFFAOYSA-N 373.405 4.228 0 40 FIAB Cc1nn(CC(C)C)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 7364318 OYUCOWZIFFMBHG-GOSISDBHSA-N 358.873 4.230 0 40 FIAB O=C(/C=C/c1ccccc1)NCc1ccc(-c2nc3ncccc3o2)cc1 7389398 WVLKIIZNIWWYHF-JLHYYAGUSA-N 355.397 4.219 0 40 FIAB COc1ccc(CCNC(=S)Nc2ccc(C(C)C)cc2)cc1OC 7517849 FVFAZCTVIZLIGA-UHFFFAOYSA-N 358.507 4.356 0 40 FIAB COc1cc(OC)c(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 7653877 PHKPLLGMDPKCNN-QWHCGFSZSA-N 362.857 4.035 0 40 FIAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 7719030 FJBRKUOUPSZPEU-UHFFFAOYSA-N 368.364 4.305 0 40 FIAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 7928222 FPQIMZOIVFKZSJ-IBGZPJMESA-N 364.489 4.365 0 40 FIAB Cc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)oc2c(Cl)cccc12 8232070 VHPBVWQHKJKNCD-INIZCTEOSA-N 368.864 4.399 0 40 FIAB O=C(Nc1ccccc1)c1ccc(COc2ncnc3ccccc23)cc1 8329147 RKRZHMHHSPLTGO-UHFFFAOYSA-N 355.397 4.461 0 40 FIAB CSCC(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 8394193 FZDBWTMWVGCZCE-UHFFFAOYSA-N 354.269 4.031 0 40 FIAB O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(F)cc2)ns1 8614018 NXQFVKWCPOOQMU-UHFFFAOYSA-N 363.801 4.015 0 40 FIAB aggregator O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1Cc1ccccc1 9864566 NOXRVFLTOAPWFY-JOCHJYFZSA-N 372.424 4.225 0 40 FIAB COc1ccc([C@@H](NC(=O)NCCOc2ccc(C)cc2C)C2CC2)cc1 10277874 IZMSKFBPCIXWQC-NRFANRHFSA-N 368.477 4.141 0 40 FIAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1)C31CC1 12428529 YKNXPBGMSRCWMF-IOQCUFBNSA-N 367.754 4.060 0 40 FIAB CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 12888321 HWJGJJJPHYEIPP-HOCLYGCPSA-N 374.510 4.135 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 12913130 VUBJFOMPFVZZMW-KDURUIRLSA-N 350.506 4.260 0 40 FIAB COc1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)c(OC)cc1Cl 13710791 WQHVHAGXYPHDSZ-ZDUSSCGKSA-N 363.841 4.380 0 40 FIAB C[C@H]1CCCN(Cc2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)C1 14141720 RTTABPLTEDKXJH-AWEZNQCLSA-N 368.506 4.038 0 40 FIAB CCc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)N2CCC2)cc1 14181077 QFOSSSLDDSVCJH-BUHFOSPRSA-N 371.484 4.406 0 40 FIAB Cc1cc2ncn(CC(=O)Nc3ccc(OC(F)(F)F)cc3)c2cc1C 14360882 NUZZBSYYCXBJJN-UHFFFAOYSA-N 363.339 4.190 0 40 FIAB CC(C)COc1ccc(C(=O)OCC(=O)NC2CCCCCCC2)cc1 15033300 BQWFJKQGNQSDAZ-UHFFFAOYSA-N 361.482 4.107 0 40 FIAB Cc1cccc(C)c1-n1c(-c2ccccc2)cnc1S[C@@H](C)C(N)=O 15545084 JZDWIVQPOWIOSZ-HNNXBMFYSA-N 351.475 4.122 0 40 FIAB COc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1OC 16005265 UTZAGKHCDFZZFP-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB O=C1CCCC(=O)C12Cc1ccccc1N1CC[C@H](Cc3ccccc3)C[C@@H]12 16957117 SKQROZXXHGGJHD-DENIHFKCSA-N 373.496 4.379 0 40 FIAB CCOc1ccccc1NC(=S)NCCSCc1ccccc1F 18146449 ATCHKKXRFIPEJE-UHFFFAOYSA-N 364.511 4.444 0 40 FIAB COc1ccccc1NC(=O)NCc1ccc(CN2CCCCC2)cc1 18177368 OLRUNNFGHVYNMB-UHFFFAOYSA-N 353.466 4.003 0 40 FIAB c1ccc(CN2CCN(Cc3ccccc3)C2c2ccc3c(c2)OCO3)cc1 19323952 IVADYJYVYJLBFS-UHFFFAOYSA-N 372.468 4.432 0 40 FIAB CCn1c(C(C)C)nc2cc(NC(=O)c3ccc(C(C)C)[nH]c3=O)ccc21 19524257 QXYHNASCNROBBQ-UHFFFAOYSA-N 366.465 4.244 0 40 FIAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3cccc(-c4nc[nH]n4)c3)c2c1 19715611 LDCNTJPXFUMDRV-UHFFFAOYSA-N 359.433 4.059 0 40 FIAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1OC 20454435 BCJDMDZCLDOHLO-OAHLLOKOSA-N 371.477 4.085 0 40 FIAB CCCCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O 20673162 YYHVPQGJFXBNTO-UHFFFAOYSA-N 351.454 4.033 0 40 FIAB C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccncc1 22881373 HUOLFZBYESOIAQ-OAHLLOKOSA-N 350.393 4.291 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)n1nnc(-c2ccc(C)cc2)n1 23971367 PMFVHYAESTVRQU-CVEARBPZSA-N 363.465 4.362 0 40 FIAB COCCOc1cc(NC(=O)c2oc3ccccc3c2C)ccc1OC 24937194 QOQGVVXZLLLHPE-UHFFFAOYSA-N 355.390 4.027 0 40 FIAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 25252369 ARMZZMRBMSNERX-CRAIPNDOSA-N 374.937 4.211 0 40 FIAB CC1(C)Cc2c(sc3nc(NCC4CCCCC4)n4ncnc4c23)CO1 28286606 UZOYOVHLFCFHLI-UHFFFAOYSA-N 371.510 4.183 0 40 FIAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccccc3F)s2)N1 28511588 WPPUGRHWZWVMPV-KRWDZBQOSA-N 363.421 4.000 0 40 FIAB CC(=O)Nc1cc(N[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)ccc1F 30010606 VYVTTWKIJRIPGN-ZDUSSCGKSA-N 357.429 4.347 0 40 FIAB COC(=O)c1cccc(CSc2nnc(COc3ccc(C)cc3)o2)c1 31621631 MNJLBPQEQICKTR-UHFFFAOYSA-N 370.430 4.036 0 40 FIAB CCC[C@H](NC(=O)[C@@H](C)Sc1ncc2ccccn12)c1ccccc1 32575068 UBLZJWGZJCGQNQ-QAPCUYQASA-N 353.491 4.473 0 40 FIAB COc1ccc(-c2cc(CN3c4ccccc4NC(=O)C[C@H]3C)on2)cc1 32814803 YBYXEIMCCNAOEH-CQSZACIVSA-N 363.417 4.088 0 40 FIAB C[C@@H]1Oc2c(C(=O)Nc3nnc(Cc4ccccc4)s3)cccc2[C@H]1C 32820157 PYGKQKULALZJAX-STQMWFEESA-N 365.458 4.266 0 40 FIAB O=C(NCc1ccccc1Cl)c1ccc(Cn2cnc3ccccc32)o1 35597041 HHLPEDPTXZCVKN-UHFFFAOYSA-N 365.820 4.261 0 40 FIAB CC(=O)Nc1cccc(CNC(=O)Nc2ccc(Cl)cc2Cl)c1 43174835 YBIUGWQYWWPJHW-UHFFFAOYSA-N 352.221 4.274 0 40 FIAB CC(C)[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 44014349 OICSVQJSXVOFJU-FQEVSTJZSA-N 365.477 4.441 0 40 FIAB COc1ccc(CNCc2c(OC)ccc3ccccc23)c(OC)c1OC 44861923 YQIDBHBEILZOOA-UHFFFAOYSA-N 367.445 4.164 0 40 FIAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 48355036 PMLCYQWGPUHNGV-UHFFFAOYSA-N 370.430 4.209 0 40 FIAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC)c1 49005559 MVVRNZQTKPDUSV-UHFFFAOYSA-N 364.449 4.172 0 40 FIAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(OC)c1)CO3 54278232 AHQATIBUSNWIOE-UHFFFAOYSA-N 365.429 4.025 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 58106275 ZFZWEPGMPNNNAW-OJLWIZQOSA-N 357.400 4.186 0 40 FIAB O=S(=O)(Nc1cccc(-c2nccs2)c1)c1ccc(F)cc1Cl 58356112 MQSWOCXROAXSJG-UHFFFAOYSA-N 368.842 4.403 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@@H](C)c2ccc(C)s2)c1 71819683 MNEWWYYVERYNKW-KGLIPLIRSA-N 359.495 4.479 0 40 FIAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C=O)cn1)C1CCC1 72215475 LORSFOLVIJYYRL-QGZVFWFLSA-N 359.470 4.059 0 40 FIAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN2c2ncccn2)n1 72372553 XPTXJWLEWFUCFT-MRXNPFEDSA-N 352.467 4.030 0 40 FIAB CCOc1ccc(NC(=O)Nc2cnc(Oc3ccccc3)nc2)cc1 75172177 TWURLDUEEOVUNJ-UHFFFAOYSA-N 350.378 4.312 0 40 FIAB CCOc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1Cl 83221620 IQQBFEAJFFACNM-UHFFFAOYSA-N 350.827 4.430 0 40 FIAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(-n2cccc2)cc1 84606467 RBKFBWIPBKVECV-RTWAWAEBSA-N 364.420 4.267 0 40 FIAB CC(C)CN1CCO[C@@H](CNc2cc(C(F)(F)F)nc3ccccc23)C1 89840212 JEINXLAMQOMLIB-AWEZNQCLSA-N 367.415 4.022 0 40 FIAB C[C@@H](Cc1ccsc1)NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 92882823 NKYPCYYXSOCLSS-AWEZNQCLSA-N 374.506 4.385 0 40 FIAB O=C(O)CC[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1 95424570 HLOZYFSMVWRTKI-OAHLLOKOSA-N 357.793 4.422 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cccc2c1ccn2C 96221679 CMABLGKMIGIQME-FQEVSTJZSA-N 373.456 4.476 0 40 FIAB biogenic COc1ccc(-c2c(C)nn3c(O)c(Cc4ccccc4)c(C)nc23)cc1 101944552 ZAHFYWLGSSSIBO-UHFFFAOYSA-N 359.429 4.318 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(N)=O)C1 102233947 CHITUUTUOMFTAP-RGCMKSIDSA-N 360.523 4.127 0 40 FIAB O[C@@H](COCC[C@@H]1C[C@@H]2CC[C@@H]1C2)CN1CCC(Cc2ccccc2)CC1 104492917 RDXQFUZNRUQJIT-MOUTVQLLSA-N 371.565 4.145 0 40 FIAB CC(C)(C)n1nc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1C1CC1 107818937 PVFCJHDRAPULOG-UHFFFAOYSA-N 362.477 4.195 0 40 FIAB CCCC(=O)c1cn(CC(=O)Nc2cccc(OC)c2)c2ccccc12 107912461 YCINVVUETUFBRZ-UHFFFAOYSA-N 350.418 4.271 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1 108597941 RQWFHPVZCCIYEQ-SFHVURJKSA-N 372.468 4.270 0 40 FIAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1cccc(Cl)c1Cl 108858530 NPHYUTHOZNFNDY-SDDRHHMPSA-N 356.249 4.301 0 40 FIAB COc1ccccc1CCCNC(=O)COc1ccc(C(C)(C)C)cc1 218931309 WATYIVKIHBBRFB-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 222795389 BIYGJBNFRSTFCQ-VQTJNVASSA-N 362.502 4.173 0 40 FIAB COc1ccc(-c2ncc(C(=O)N[C@H](C)c3ccc(F)cc3)c(C)n2)cc1 223147325 IPVKBZSHSHFKRJ-CYBMUJFWSA-N 365.408 4.091 0 40 FIAB O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1cccs1 223657296 QUMNLGLJNFDXSB-UHFFFAOYSA-N 359.472 4.170 0 40 FIAB O=C(NCCOCc1ccccc1)c1cccc(OCc2ccccc2)c1 224270723 JTJPZYCTJJLFRZ-UHFFFAOYSA-N 361.441 4.212 0 40 FIAB COc1ccc(Cl)cc1C(=O)Nc1cnc(Oc2ccccc2F)nc1 224283818 OEZJHHXESQDUGO-UHFFFAOYSA-N 373.771 4.322 0 40 FIAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccccc1OC)c1ccc(OC)c(C)c1 224694005 QRMLMWWZSJZOKS-ZWKOTPCHSA-N 371.477 4.437 0 40 FIAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F 225148238 HJLKLBWNRADAMV-GFCCVEGCSA-N 362.832 4.189 0 40 FIAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)C3CC3)cs2)cc1 225252003 ZKOBPNOLXFHYSS-MHWRWJLKSA-N 373.503 4.179 0 40 FIAB CC1(C)C[C@@H](NC(=S)Nc2ccc3c(c2)OCO3)c2ccccc2O1 225576347 SVVUHYYNWHHQKT-CQSZACIVSA-N 356.447 4.004 0 40 FIAB Cc1cccc(-c2noc(CNC(=S)Nc3ccccc3Cl)n2)c1 225814367 ZRFQAZPGBTVAGX-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB Cc1cccc(-c2noc(CCC(=O)N[C@@H](C)CCc3ccccc3)n2)c1 225814755 DRRFGJLISMQXDT-KRWDZBQOSA-N 363.461 4.115 0 40 FIAB COc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c(C(C)(C)C)c1 226072995 NJKMNEDMZRRERW-INIZCTEOSA-N 368.477 4.091 0 40 FIAB COc1cc(-c2nnc(N)o2)ccc1OCc1ccc(Cl)c(Cl)c1 226325681 YVZCYADVLKONMR-UHFFFAOYSA-N 366.204 4.213 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc4ccccc34)CC2=O)c1C 408638492 CPMVUBJBGHPRLZ-GOSISDBHSA-N 358.441 4.448 0 40 FIAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 408673409 WVDFPPKXANIHSL-IBGZPJMESA-N 365.473 4.387 0 40 FIAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(C)c(C)c3)c(N)c12 409374143 KESZDXKRTVSXOC-UHFFFAOYSA-N 355.463 4.202 0 40 FIAB Cc1cc(OC[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)ccn1 1776001295 KCQJVMDOYLBSRE-AWEZNQCLSA-N 351.372 4.099 0 40 FIAB CCc1nc2ccccc2n1C[C@@H](O)COc1cc(C)ccc1C(C)C 644765 BVGDFAQAUWHIQE-QGZVFWFLSA-N 352.478 4.470 0 40 FIAB Nc1nc2n(n1)[C@@H](c1cccc3ccccc13)C[C@H](c1ccc(F)cc1)N2 803145 RVIOFLYRWVPIOP-RTBURBONSA-N 359.408 4.299 0 40 FIAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NC1CCCCC1 1329275 KROWDBYHCLMENI-UHFFFAOYSA-N 366.490 4.166 0 40 FIAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(Oc2ccccc2)cc1 2418246 UZYRKEYFSJVPDD-SFHVURJKSA-N 356.422 4.188 0 40 FIAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Nc1cccc(Cl)c1 3184617 YOMCMCXNHFXHSG-HKUYNNGSSA-N 355.869 4.488 0 40 FIAB biogenic O=C(Oc1ccc(Sc2ccc(OC(=O)C3CC3)cc2)cc1)C1CC1 3343589 FABHEDVKEVRWHR-UHFFFAOYSA-N 354.427 4.469 0 40 FIAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)NCc1cccs1 3443289 WEGPFSAVDIFAME-UHFFFAOYSA-N 364.492 4.419 0 40 FIAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cccs1 3530951 PFVMQTXAKZJBCF-QGZVFWFLSA-N 355.390 4.424 0 40 FIAB O=C(CSc1nncn1-c1ccccc1)Nc1cccc2ccccc12 3543193 FAWFYUVRRFTXQN-UHFFFAOYSA-N 360.442 4.151 0 40 FIAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccccc32)cc1OC 4129869 YMOZPFBZELOYTM-UHFFFAOYSA-N 371.440 4.446 0 40 FIAB CCn1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc21 4289568 OWGCXHRYDDNCAP-UHFFFAOYSA-N 359.882 4.118 0 40 FIAB Cc1cc(C)cc(C(=O)NCCSc2ncc(-c3ccccc3)[nH]2)c1 4315511 PBDKOFZOSCKMBZ-UHFFFAOYSA-N 351.475 4.216 0 40 FIAB CC(C)N1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4554700 ZPHVJNSEHFZJEP-QHCPKHFHSA-N 359.425 4.055 0 40 FIAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)c1ccco1 4880786 WJZOEEDLFDVZMS-UHFFFAOYSA-N 372.852 4.387 0 40 FIAB COc1ccccc1-c1cc(C(=O)Nc2ccc(Br)cc2)no1 4880845 XEYILSYNCZGRFV-UHFFFAOYSA-N 373.206 4.365 0 40 FIAB CC1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 5047159 AZNACGFBMHSSCH-UHFFFAOYSA-N 352.478 4.326 0 40 FIAB COc1cccc(-c2c(NC(=O)c3ccco3)n(C)c3ccccc3c2=O)c1 5272033 OGFOQKLGZCODKZ-UHFFFAOYSA-N 374.396 4.059 0 40 FIAB Cc1sc2ncn(CC(=O)c3ccccc3)c(=O)c2c1-c1ccccc1 5483090 HJDFTCCUGZTVJN-UHFFFAOYSA-N 360.438 4.316 0 40 FIAB Cc1cc(C)c2c(=O)c3c(oc2c1)O[C@](C)(CO)C[C@@H]3c1ccccc1 5758884 FYEMXCPCNRCWEW-ZHRRBRCNSA-N 350.414 4.075 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C 6375324 WKNJUPRDKDPCNA-UHFFFAOYSA-N 355.434 4.313 0 40 FIAB Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(F)cc1Cl 6589621 BEFBGWWDJDUTQS-UHFFFAOYSA-N 362.832 4.405 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(CC)c1)C(C)C 6778602 VJTHUKLIMRSQNB-FQEVSTJZSA-N 368.477 4.041 0 40 FIAB CSc1cccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c1 6876446 HIZZASUKXGNKFF-UHFFFAOYSA-N 372.421 4.358 0 40 FIAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1Br 7402743 URIJGQZRGLIOHH-UHFFFAOYSA-N 360.660 4.212 0 40 FIAB CN(Cc1nc2scc(-c3ccco3)c2c(=O)[nH]1)Cc1ccccc1F 7674381 HSSXXDSCZXXNCY-UHFFFAOYSA-N 369.421 4.016 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)c3ccccc3)o2)cc1C 8508370 CMOPZOMUXMHEML-HNNXBMFYSA-N 367.474 4.497 0 40 FIAB CCSc1ncc(Cl)c(C(=O)Nc2cccc3ccc(C)nc23)n1 8991805 WIAJJIBHIFSTAE-UHFFFAOYSA-N 358.854 4.351 0 40 FIAB CCCc1n[nH]c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 9053784 WLNUJJRWHQSNMR-MRVPVSSYSA-N 359.282 4.183 0 40 FIAB CC[C@H](C)[C@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)Nc1cccc(C)n1 9096402 LQKMDIOUWPUHDO-ZPQVWODMSA-N 373.541 4.322 0 40 FIAB CCc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 9137484 YVXCBPHJZVBXHY-UHFFFAOYSA-N 350.462 4.437 0 40 FIAB CCCn1c(=O)c2ccccc2n2c(S[C@H](C)c3ccccc3)nnc12 9365725 QOWANPLIBBVGNQ-CQSZACIVSA-N 364.474 4.308 0 40 FIAB COc1cccc([C@H](CNC(=O)Nc2cccc3ccccc23)N(C)C)c1 11004852 ZZCMZYKIYYSDOX-NRFANRHFSA-N 363.461 4.273 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 12057960 KDXAAELIFCPYTC-HNNXBMFYSA-N 350.393 4.218 0 40 FIAB CCCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1 12557867 AOGOFGWWCTZUQF-NRFANRHFSA-N 366.486 4.102 0 40 FIAB COc1cc(/C=C/c2nc3cc(C)ccc3s2)ccc1OCC(=O)O 12757838 ZOTVKAHYUWLJHM-VMPITWQZSA-N 355.415 4.247 0 40 FIAB CC(C)c1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)o1 12815388 ZTROTHGLICDGQI-SECBINFHSA-N 355.257 4.319 0 40 FIAB CCOc1ccc(-c2nc(CSc3nnnn3C(C)C)cs2)cc1 12923265 RCQFJFXEFNMXRW-UHFFFAOYSA-N 361.496 4.069 0 40 FIAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1)c1cccnc1 13624390 SXAUEHZRYYFQNK-UHFFFAOYSA-N 360.344 4.246 0 40 FIAB COC(=O)c1c(Cl)c(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12 13645662 WMRLMIFHAXIGFV-UHFFFAOYSA-N 362.216 4.367 0 40 FIAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 14397963 QOAMRHAUJHXVKD-UHFFFAOYSA-N 368.477 4.179 0 40 FIAB CCCCCc1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]c1=O 18266649 LLYSVYJICLFJFH-UHFFFAOYSA-N 351.454 4.115 0 40 FIAB COc1ccc(OCCCC(=O)Nc2nnc(-c3ccccc3)s2)cc1 18703485 VTYLJUCKCZWKGM-UHFFFAOYSA-N 369.446 4.011 0 40 FIAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19559003 LTCSZLMEYDBYJW-CYBMUJFWSA-N 369.852 4.245 0 40 FIAB Cc1ccc(NC(=O)CN(C)C2CCCCCC2)c(Br)c1 23040015 VGTAVGABJWRWLX-UHFFFAOYSA-N 353.304 4.351 0 40 FIAB CCn1c(NS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc21 27923515 ASFOVSYZBMWLBR-UHFFFAOYSA-N 351.431 4.010 0 40 FIAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 30750960 JERSZDJAJYEITC-GFCCVEGCSA-N 371.861 4.058 0 40 FIAB CC(C)c1noc2ncc(C(=O)NCCCSc3ccccc3)cc12 31552535 LZOMLSZZJWNPIY-UHFFFAOYSA-N 355.463 4.258 0 40 FIAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(Cl)c1)CC(O)=N2 32101877 UFLGDWRRBKBUCV-LBPRGKRZSA-N 374.231 4.401 0 40 FIAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(-n2cccc2)cc1 32217645 ZXRBBTAIUFEWHU-JOCHJYFZSA-N 359.473 4.044 0 40 FIAB Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc(Cl)c2)n1 33713485 JFAKJKGZHVYMSA-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB C[C@]1(C(=O)Nc2nc3ccc(Cl)cc3s2)Oc2ccccc2N=C1O 36355095 WAFDVFAGCOAPFD-KRWDZBQOSA-N 373.821 4.328 0 40 FIAB COc1ccc(CCNC(=O)c2cc3occc3n2Cc2ccccc2)cc1 36365446 CUWDVZBDXOYSIJ-UHFFFAOYSA-N 374.440 4.264 0 40 FIAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCCCC1 38832689 XRRXYNAOSYOMSQ-HNNXBMFYSA-N 355.309 4.218 0 40 FIAB O=C(c1ccccc1Nc1ccccc1)N1CCN(Cc2ccccc2)CC1 40159889 KBKMDUSUBRGVLP-UHFFFAOYSA-N 371.484 4.388 0 40 FIAB CC(C)(C)OC(=O)N1CCC(OCc2cccc(Br)c2)CC1 43830451 GZPJTPZZFYHJNZ-UHFFFAOYSA-N 370.287 4.365 0 40 FIAB C[C@H](NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1 44014522 RHJRTUVTFIEHDO-AWEZNQCLSA-N 371.868 4.459 0 40 FIAB CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)s1 48286896 QBKCDDKRPPOVAC-MRXNPFEDSA-N 374.506 4.399 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)N[C@@H](C)c1cc2ccccc2o1 53986081 SBFYJUYDEYTTGL-AWEZNQCLSA-N 366.417 4.454 0 40 FIAB COc1c(Br)cc(C(C)C)cc1C(=O)N1CCC(C)CC1 57339370 BKSUVUBQIOHITP-UHFFFAOYSA-N 354.288 4.453 0 40 FIAB CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486751 VDBPRRWTVUCMKN-UHFFFAOYSA-N 372.856 4.021 0 40 FIAB Cc1c([C@H](C)NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)oc2ccccc12 58159834 NBJDJHUVNQKGSZ-UXLLHSPISA-N 357.498 4.222 0 40 FIAB CCOc1cccc([C@H](C)NC(=O)CCc2nnc(-c3ccsc3)o2)c1 58179877 IZLJJDKVGCVWAS-ZDUSSCGKSA-N 371.462 4.007 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(OCC(F)(F)F)nc1 58952010 PDWFCDFGYFPQAW-JTQLQIEISA-N 374.746 4.082 0 40 FIAB CC(C)[C@H]1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 63814526 JRRKIGBOPLENBG-MRXNPFEDSA-N 366.490 4.256 0 40 FIAB CN(C)c1nc2sc(C(=O)NC3(c4ccccc4)CCC3)cc2s1 65523148 AGVMPYRVKBOSLP-UHFFFAOYSA-N 357.504 4.233 0 40 FIAB Cc1cc(C)n(CC(=O)Nc2cccc(CO[C@@H]3CCC[C@H](C)C3)c2)n1 68776199 HKWJPZOYDCWUBK-MGPUTAFESA-N 355.482 4.234 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 69872610 VMLUBRSFYVWTAX-MJGOQNOKSA-N 357.837 4.016 0 40 FIAB O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc2c(c1)OCCCO2 84559960 PVABSTNVSXGTGT-UHFFFAOYSA-N 366.442 4.213 0 40 FIAB O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 96047020 RVFNSQLQERHRAF-FQEVSTJZSA-N 358.482 4.016 0 40 FIAB c1ccc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(-c5ccco5)nn4c2C3)cc1 100141167 JXNHBDYPLYRYKG-VQIMIIECSA-N 356.429 4.251 0 40 FIAB Cc1c(Cl)cccc1NC(=O)C1CCN(c2cc(C3CC3)ncn2)CC1 207957985 SDWLQAXYBASEPN-UHFFFAOYSA-N 370.884 4.171 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219597866 WBCNAHNLNDYIMZ-MOPGFXCFSA-N 371.477 4.437 0 40 FIAB CN(CCCNC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 222803823 ZYQQYJFHPQMELK-UHFFFAOYSA-N 354.494 4.006 0 40 FIAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 222898698 SYGIIHQQKRTZAR-VQTJNVASSA-N 362.502 4.255 0 40 FIAB CCC[C@H](C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 223342180 AYGOOOQFQXITAW-LUJRCDHRSA-N 356.491 4.132 0 40 FIAB CC(C)Oc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 224841613 SBVBOSZLLVENQY-UHFFFAOYSA-N 366.505 4.390 0 40 FIAB O=C(C1CC1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225257352 HVQGTGNZJVPTTQ-MHWRWJLKSA-N 357.504 4.039 0 40 FIAB Cc1nccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)cc1 225306158 ZZLYLFMHRZVVQC-UHFFFAOYSA-N 353.853 4.083 0 40 FIAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2c3ccccc3C[C@@H]2C)n1 225915962 RDWJIDFRSABQJU-INIZCTEOSA-N 358.445 4.428 0 40 FIAB CC(C)C(=O)N[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)O[C@@H]2CCC[C@@H]12 257287595 PQQDQGQIUUCLTB-YLFCFFPRSA-N 355.400 4.476 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@H]1CCc1cccc(Br)n1 257311720 UKTHZBVGDJUQDK-ZDUSSCGKSA-N 355.276 4.176 0 40 FIAB CCCCCOc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 408708217 HRGVYEQCEHIYDS-UHFFFAOYSA-N 374.868 4.164 0 40 FIAB Cc1cnccc1-c1nc(-c2cccc(NC(=O)c3ccccc3F)c2)no1 554794184 CBLSLIAEUZXLMO-UHFFFAOYSA-N 374.375 4.498 0 40 FIAB CN(C)[C@@H](CNC(=O)c1nc2ccccc2s1)c1cc2ccccc2o1 575618671 AWDHGVAYLARJQU-HNNXBMFYSA-N 365.458 4.075 0 40 FIAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCN3Cc3ccc(F)cc3)CC2)o1 585100412 RMVUSEMSJPKBAI-JOCHJYFZSA-N 370.468 4.388 0 40 FIAB CC(C)COC(=O)NC1CC2(CCN(Cc3cc(F)ccc3F)CC2)C1 585103827 RWQCUKZCHALHLU-UHFFFAOYSA-N 366.452 4.092 0 40 FIAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(Cl)c(Cl)c1 585299913 AMFKKMOQBGFWEE-UHFFFAOYSA-N 364.276 4.375 0 40 FIAB CC(C)(C)OC(=O)Nc1c(Br)cc(Cl)cc1C(=O)O 725375923 RMRFZMXWGUMNMK-UHFFFAOYSA-N 350.596 4.148 0 40 FIAB CCC(=O)N1CCc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 1611278769 AAPXLXLPRARBDO-UHFFFAOYSA-N 362.351 4.257 0 40 FIAB O=c1oc2cc(F)c(Br)cc2n1Cc1cccc(Cl)c1 1641108648 CSGVZEJOEJMTJT-UHFFFAOYSA-N 356.578 4.198 0 40 FIAB Cc1ccc(CN(C)CC(=O)N[C@H](c2ccccc2)C2CCCCC2)nc1 1654560453 RVGMCPHXKWKUPG-HSZRJFAPSA-N 365.521 4.260 0 40 FIAB C[C@H]1CCc2c(nc3ncnn3c2NCc2ccc(Cl)cc2Cl)C1 1351059 CHDMWOCDKWPCRO-JTQLQIEISA-N 362.264 4.168 0 40 FIAB CCCCOC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 1797542 KSIOFRKAAVMKJE-UHFFFAOYSA-N 366.413 4.491 0 40 FIAB biogenic Cn1c(SCc2ccccc2)nnc1-c1cc(Cl)nc(Cl)c1 2570648 ZUGIFMVOHDXHTG-UHFFFAOYSA-N 351.262 4.476 0 40 FIAB COc1ccccc1CNC(=O)c1cc(-c2ccco2)nc2ccccc12 2631775 OPPBGIUAOVOUCX-UHFFFAOYSA-N 358.397 4.433 0 40 FIAB Cc1cc(C)cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)c1 2723637 FGYARUBYXVJWBN-UHFFFAOYSA-N 355.438 4.359 0 40 FIAB COc1ccccc1-c1cc(C(=O)NCc2ccccn2)c2ccccc2n1 2763322 AVQXKEGBYJKKRQ-UHFFFAOYSA-N 369.424 4.235 0 40 FIAB Cc1cccc(-c2nsc(SCC(=O)Nc3cccc(F)c3)n2)c1 2917516 IDBMELQDRDQYGU-UHFFFAOYSA-N 359.451 4.383 0 40 FIAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(F)cc1 3317020 JFRFKTSTKLPFLA-UHFFFAOYSA-N 363.797 4.489 0 40 FIAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1F 3325744 BTIHMJSKXAJMIP-UHFFFAOYSA-N 363.797 4.489 0 40 FIAB O=C(CCSc1ccccc1)Nc1nc2cc3c(cc2s1)OCO3 4348706 SKGHGMUIXHISBK-UHFFFAOYSA-N 358.444 4.146 0 40 FIAB CC(C)OCCCNC(=O)C[C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 4699007 KVSMBBNVTSGUDC-QGZVFWFLSA-N 362.514 4.096 0 40 FIAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C/c1ccccc1Cl 5244368 RLNOGTNIMQLANJ-CMDGGOBGSA-N 369.848 4.426 0 40 FIAB Cc1ccc(C)c(NC(=O)COC(=O)c2nc(-c3ccccc3)oc2C)c1 5539109 ZCLQNSQFSHMEEA-UHFFFAOYSA-N 364.401 4.062 0 40 FIAB COc1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1OC 6170698 SMLQUIAPFMMZLV-PKNBQFBNSA-N 373.478 4.255 0 40 FIAB COc1ccc(CC(=O)Nc2ccc(Br)cc2Cl)cc1 6260103 UVRAUUXJUBDRBK-UHFFFAOYSA-N 354.631 4.292 0 40 FIAB Cc1occc1-c1nnc(SCc2cc(=O)oc3c(C)c(O)ccc23)o1 7193712 HWGZEBHWOFLQQT-UHFFFAOYSA-N 370.386 4.051 0 40 FIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc2c(c1)CCC2 7726497 PTPXHKIWDJVLPC-UHFFFAOYSA-N 350.418 4.002 0 40 FIAB Cc1ccc([C@H](NC(=O)[C@@H]2COc3ccccc3O2)c2cccs2)cc1 7740071 APQRIJQKYFOQTH-ICSRJNTNSA-N 365.454 4.102 0 40 FIAB CCc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)s1 7799741 QEQYVSOGZGPUEB-UHFFFAOYSA-N 370.503 4.274 0 40 FIAB COc1ccc(C[C@@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 8117435 RVCRBLGQGKHGPE-INIZCTEOSA-N 361.850 4.155 0 40 FIAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccccc3)o2)cc1 8428916 KBLCXLGJWPTSRP-CYBMUJFWSA-N 354.431 4.499 0 40 FIAB Cc1nnc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)o1 8753988 RBDCMVHCJUXNJU-DOMZBBRYSA-N 370.482 4.075 0 40 FIAB CC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2N2CCCCC2)cc1 9750673 VHYAFJOPCWKKGI-QGZVFWFLSA-N 366.461 4.286 0 40 FIAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 9985818 VMUWIRZGQXJCQW-UHFFFAOYSA-N 372.262 4.184 0 40 FIAB O=C(Nc1nnc(CSc2ccccc2)o1)c1nc2ccccc2s1 10689762 FDIMVGNTLURFOF-UHFFFAOYSA-N 368.443 4.224 0 40 FIAB COc1cccc(-c2cc(CNC(=O)c3c(F)cccc3Cl)no2)c1 11613491 OTAAHWDVFFHYHN-UHFFFAOYSA-N 360.772 4.073 0 40 FIAB Cc1cc(-c2cnc(N(C)CCc3ccccc3)nc2-c2ccco2)on1 12184446 PXDPNUQNWVFEKD-UHFFFAOYSA-N 360.417 4.379 0 40 FIAB COc1cccc(-c2ccc(CN3CCC(O)(c4cccnc4)CC3)cc2)c1 12363698 OWIIXDYUCJUMHL-UHFFFAOYSA-N 374.484 4.241 0 40 FIAB Cc1[nH]c(SCC(=O)N(C)C2CCC(C)CC2)nc1Cc1ccccc1 12547281 SYVIXWDIBNEUCB-UHFFFAOYSA-N 371.550 4.438 0 40 FIAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 12908283 OZNSYBPEGXMNDZ-LLVKDONJSA-N 367.232 4.077 0 40 FIAB COc1ccccc1CN(C)C(=O)c1ccc(OCc2cscn2)cc1 12914170 ATYQVDMEPCWQEI-UHFFFAOYSA-N 368.458 4.003 0 40 FIAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(CCc4ccccc4)C3)cc2n1 13225696 ZKZQZOZGAXPXJH-INIZCTEOSA-N 374.410 4.089 0 40 FIAB COC(=O)c1ccc(Cl)c(NC(=O)CCSCc2ccccc2)c1 13688119 LBOWCCFNQPSZOC-UHFFFAOYSA-N 363.866 4.389 0 40 FIAB COc1ccccc1NC(=O)CSc1nnc(SCC(C)C)s1 14093958 HFGQPBGZMIDGQL-UHFFFAOYSA-N 369.537 4.026 0 40 FIAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(F)c2)cc1 14135204 WZZVTQOUQFUDRT-UHFFFAOYSA-N 371.433 4.230 0 40 FIAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccccc1N1CCCC1=O 16105644 QFSXDRDEDNZNEE-FMIVXFBMSA-N 372.371 4.067 0 40 FIAB C[C@H](Oc1ccccc1Cl)c1nn2c(=O)c3ccccc3nc2s1 17073871 ONMDTBDQVCGYBM-JTQLQIEISA-N 357.822 4.098 0 40 FIAB COc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nccs1)OCO2 19550636 UFDLODKLPQVNSB-AWEZNQCLSA-N 374.487 4.016 0 40 FIAB Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)n1 19573126 FRTOLFWLSZQALR-HNNXBMFYSA-N 353.470 4.100 0 40 FIAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)[C@@H]2CCCO2)n1 19691467 ZFYRLCXPJIOJPQ-UXHICEINSA-N 354.425 4.039 0 40 FIAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1cccc(C(=O)O)c1 20145356 LKYJEARUNWTCQZ-PKNBQFBNSA-N 351.333 4.436 0 40 FIAB Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1C 20609908 FDXCMMLIQBWZTJ-UHFFFAOYSA-N 372.428 4.055 0 40 FIAB Clc1c(CSc2nnnn2Cc2ccco2)sc2ccccc12 21689435 QWJFHQGZAMBROD-UHFFFAOYSA-N 362.867 4.475 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1noc(-c2ccccc2)n1 21800361 HWWYPZWUTGLYDP-AWEZNQCLSA-N 365.433 4.440 0 40 FIAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C)c1cc2ccccc2o1 22275798 UWWGUOGWOCTARW-QRWLVFNGSA-N 370.493 4.331 0 40 FIAB CC(C)n1nccc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3 22288554 YBTMZWRPKYFWAV-UHFFFAOYSA-N 353.422 4.107 0 40 FIAB O=C(CSCc1cccc(Br)c1)NCCc1ccccc1 22719487 WOOVIAYGAUYKGT-UHFFFAOYSA-N 364.308 4.041 0 40 FIAB O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@H]1c1cccs1 23786494 NGSKGSMJZDQHMP-HNNXBMFYSA-N 353.447 4.094 0 40 FIAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccccc1C(=O)c1ccccc1 25666041 PNRKBKFRNWSFFG-UHFFFAOYSA-N 371.440 4.165 0 40 FIAB CCOc1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969618 BJVPBQXPIREOCX-UHFFFAOYSA-N 355.825 4.236 0 40 FIAB COc1ccc(C(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1OC 29240549 SWSREPZOPUSQTE-NSHDSACASA-N 353.340 4.214 0 40 FIAB O=C1CCCCC[C@@H]1Sc1nnc(-c2cccc(Br)c2)o1 29391002 ZXFRTLGIVMSOPB-ZDUSSCGKSA-N 367.268 4.493 0 40 FIAB O=C(Nc1c(C(=O)NCC2CC2)[nH]c2ccccc12)c1ccc(Cl)cc1 35562322 GLYTXBLYVSKLFZ-UHFFFAOYSA-N 367.836 4.213 0 40 FIAB CNC(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)cc1 36390697 NWRUMAINKYPMTK-XNTDXEJSSA-N 364.489 4.016 0 40 FIAB CC(C)(C)C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccc1 40093574 MQSIWGLEAJGTFB-LJQANCHMSA-N 365.477 4.124 0 40 FIAB CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 44846354 BVTBWNXLBMZLTJ-NVXWUHKLSA-N 357.450 4.047 0 40 FIAB Cc1cc(C(=O)CCC(=O)Nc2cccc(-n3cccn3)c2)c(C)s1 53042035 MPMWFEKCFUVXMT-UHFFFAOYSA-N 353.447 4.152 0 40 FIAB CCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@@H]1c1ccc(OC)cc1 57301804 XVELDBZHBLEZHS-JAXLGGSGSA-N 353.462 4.465 0 40 FIAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCO1 60290286 QWWUXLYLNMNHPA-CYBMUJFWSA-N 365.886 4.122 0 40 FIAB Cc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1C 64334291 BYWPPENERWBUIE-LBPRGKRZSA-N 358.492 4.486 0 40 FIAB C[C@H](Oc1ccc(F)cc1)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890697 VLCINIXOCGMTQE-JTQLQIEISA-N 366.352 4.429 0 40 FIAB CN(C(=O)NCc1cn2ccsc2n1)C1CCC(c2ccccc2)CC1 78983227 CYVNFIZWCJEWES-UHFFFAOYSA-N 368.506 4.264 0 40 FIAB O=C(Nc1scnc1-c1ccccc1)[C@H]1COc2ccc(F)cc2C1 90525991 MLASVSPZJUBNDM-CQSZACIVSA-N 354.406 4.139 0 40 FIAB C[C@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC12CCCCC2 95943432 CMCRIRPMGNSTAS-SFHVURJKSA-N 351.494 4.364 0 40 FIAB CSc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1 96222103 NJPLICOGSDIIJW-HNNXBMFYSA-N 352.411 4.264 0 40 FIAB biogenic Cc1cccc(N[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C 101277156 YRWRDOIPFXSFEW-INIZCTEOSA-N 363.244 4.354 0 40 FIAB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Cl)c1)C2(c1ccccc1)c1ccccc1 103130104 XZKMCCXWLAUMQG-WOJBJXKFSA-N 373.839 4.446 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 104092213 WNGRBYIXSNVYFL-XUXIUFHCSA-N 365.857 4.045 0 40 FIAB Cn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(-c2ccccc2Cl)n1 108671252 HXTPMYVUXXRROY-UHFFFAOYSA-N 365.742 4.410 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)NCCCN(C)c2ccccc2)c1 223123233 QQAFEKAJHQSLNR-UHFFFAOYSA-N 354.494 4.140 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCOc1ccc(Cl)cc1 224466120 KJOLCVIDLFKCMV-SFHVURJKSA-N 361.869 4.309 0 40 FIAB CCOC(=O)c1cc(NC(=S)NC(C(C)C)C(C)C)ccc1Cl 225328060 VKXULJAOVVPCDV-UHFFFAOYSA-N 356.919 4.484 0 40 FIAB Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(F)cc1C)CC(C)(C)O2 225598430 PKYDRDVAAVVFKB-INIZCTEOSA-N 363.454 4.023 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)c(C)c1 225818391 DMWPXRSNUGJTBE-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB Cc1cc(NC(=O)c2cccc(Br)c2)cc2sc(N)nc12 226310466 USLNXBPPXWELNG-UHFFFAOYSA-N 362.252 4.202 0 40 FIAB CC[C@H](C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1)c1ccccc1 244975070 IALABEHBFKFDSI-UXHICEINSA-N 360.457 4.408 0 40 FIAB COc1cccc(NC(=O)N[C@H](C)Cc2cc3ccccc3o2)c1OC 253471030 AMLMKXUJYGKOKO-CYBMUJFWSA-N 354.406 4.203 0 40 FIAB O=C(c1cncs1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257327257 XARORERFUXDFOK-OAHLLOKOSA-N 373.865 4.353 0 40 FIAB CCCN(CC)C(=O)c1ccc2c(c1)C1(CCO2)CCN(CC2CC2)CC1 306125132 CHWFBFQVYQVQBM-UHFFFAOYSA-N 370.537 4.085 0 40 FIAB Cc1ccc(C(=O)N2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)cc1 306129444 IDKWQJTVIZDBBA-OAQYLSRUSA-N 363.486 4.108 0 40 FIAB C[C@@H](NC(=O)c1c[nH]c2ncccc12)c1ccc(Oc2cccnc2)cc1 566002219 CPULIVOAHLZLJY-CQSZACIVSA-N 358.401 4.241 0 40 FIAB O=C(N1CC[C@@H](n2cnc3ccccc32)C1)C1(c2cccs2)CCCC1 575617344 NXAFFNSMLNYFRI-MRXNPFEDSA-N 365.502 4.383 0 40 FIAB CCc1ccc([C@H]2C[C@H](C)CCN2c2ccc3nnc(C4CC4)n3n2)o1 669823524 JPLUTKQSHCPVQC-CZUORRHYSA-N 351.454 4.135 0 40 FIAB Cc1cc(=O)oc2ccc(OC(=O)c3ccccc3Br)cc12 725047 MIDQLTSMVFGHKA-UHFFFAOYSA-N 359.175 4.083 0 40 FIAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)[C@H]1COc2ccccc2O1 725533 PAOAJIZLZJISTJ-HTAPYJJXSA-N 373.452 4.163 0 40 FIAB COC(=O)c1ccc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)cc1 1013595 BODXGJOGYQJIMM-UHFFFAOYSA-N 367.445 4.372 0 40 FIAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1 2300142 ZEWUBIZMADSXAV-UHFFFAOYSA-N 361.825 4.353 0 40 FIAB CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC(C)(C)OC2 2372161 KIMKKYFCULQZGX-UHFFFAOYSA-N 365.495 4.295 0 40 FIAB COc1cccc(-c2nnc(SCc3cccc4ccccc34)n2N)c1 2396892 UVNFGIMCTYDJOE-UHFFFAOYSA-N 362.458 4.113 0 40 FIAB CC[C@@H](C)c1ccc([C@@H](CC)NS(=O)(=O)c2cnn(CC)c2C)cc1 2804388 YMGVURIVHPCKJU-RDTXWAMCSA-N 363.527 4.155 0 40 FIAB CCOc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1OCC 3350674 MMVCPDPDLBICLL-UHFFFAOYSA-N 351.349 4.338 0 40 FIAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)OC(C)C)ccc12 4151903 ZZDFXFOVVHEKMR-UHFFFAOYSA-N 366.413 4.023 0 40 FIAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccccc1F 4177686 KDPRALQGUJHOJJ-PGMHBOJBSA-N 351.164 4.210 0 40 FIAB CC(C)Cn1c(SCC(=O)NCCc2ccccc2)nc2ccccc21 4265196 FVRMBCXXSHTKSK-UHFFFAOYSA-N 367.518 4.143 0 40 FIAB CN(C)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4710094 MEDCELKMNKNLJJ-UHFFFAOYSA-N 352.265 4.424 0 40 FIAB CCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 4816531 VPGIUGGPHWTHEZ-PMACEKPBSA-N 360.461 4.372 0 40 FIAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cc(Cl)ccc1Cl 6152130 JCDBFTYTVFGMDD-UHFFFAOYSA-N 371.651 4.405 0 40 FIAB Cc1ccccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 6339154 CHSOMJJUKZOICZ-NRFANRHFSA-N 358.441 4.495 0 40 FIAB CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1 6345762 ZWQQXUMTSIZIDG-CQSZACIVSA-N 372.852 4.119 0 40 FIAB COC(=O)c1c(NC(=O)Cc2coc3cc(C)ccc23)sc2c1CCC2 6809931 POKJBAUEWIKHRA-UHFFFAOYSA-N 369.442 4.259 0 40 FIAB aggregator O=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7929092 FTSASYLXEJPQHT-HNNXBMFYSA-N 365.816 4.452 0 40 FIAB CC(=O)Nc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 7989619 YHMLYVAMCICKPR-UHFFFAOYSA-N 365.458 4.253 0 40 FIAB Cc1csc(N(C(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2)n1 8269989 SYCBFXSYZKTYIX-UHFFFAOYSA-N 366.442 4.130 0 40 FIAB Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(C(=O)NC4CC4)c3)o2)cc1 8342149 IYZDAFDBYRCHKO-CQSZACIVSA-N 362.433 4.110 0 40 FIAB CCCOc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCCC1 8613233 UMWLAEMMHADFSW-IBGZPJMESA-N 358.526 4.346 0 40 FIAB CN(C)C(=O)[C@H](Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1 8707466 MJWXQCOYMBGJFY-OAQYLSRUSA-N 370.456 4.471 0 40 FIAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccc2)cs1)c1cccs1 8749253 WYPRJLGOTICRMD-CQSZACIVSA-N 371.487 4.078 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)o1 9314147 CGCJLJHDBHJYMU-UHFFFAOYSA-N 350.422 4.215 0 40 FIAB Fc1ccc(-n2ncc3c(NCCc4c[nH]c5ccccc45)ncnc32)cc1 9513524 RXKDNPZOJYHLEY-UHFFFAOYSA-N 372.407 4.091 0 40 FIAB COc1cc(CO)ccc1Oc1ncnc2sc3c(c12)CCCCC3 9515075 IBHDVVCXQQZKRA-UHFFFAOYSA-N 356.447 4.253 0 40 FIAB [O-][n+]1ccccc1SCc1csc(COc2ccc(Cl)cc2)n1 11149547 GYCCTIMUZOMSOZ-UHFFFAOYSA-N 364.879 4.301 0 40 FIAB Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)ccc1N1CCCC1 11324348 QWUPPVSUQSGIFU-UHFFFAOYSA-N 350.462 4.101 0 40 FIAB CCOc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1 11613255 MMKKLKLIDFLISR-UHFFFAOYSA-N 366.396 4.319 0 40 FIAB Cc1cc(-c2cnc(NCc3ccc(F)cc3)nc2[C@H]2CCCO2)on1 12142262 ZYBHNAOTEDJZMG-MRXNPFEDSA-N 354.385 4.043 0 40 FIAB CN(Cc1ccon1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 12712364 JBRQUEHEDVJSHV-UHFFFAOYSA-N 374.444 4.499 0 40 FIAB Cc1cnc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 12803098 SEAQQPQXGFHJAI-UHFFFAOYSA-N 365.245 4.468 0 40 FIAB Cc1cccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1 12995170 HVAGXQPHYDWSHE-UHFFFAOYSA-N 363.457 4.234 0 40 FIAB CC(C)(C)C(=O)Nc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 13007711 YNCJEHTXUKEZRB-UHFFFAOYSA-N 352.434 4.273 0 40 FIAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(CC(=O)O)cc1 13439481 QHJIVXGLGBRFNL-JTQLQIEISA-N 368.216 4.027 0 40 FIAB O=C(CSc1nnc2n1CCCCC2)c1cc2cc(Cl)ccc2o1 14125240 OVJNKJJABNSBCZ-UHFFFAOYSA-N 361.854 4.379 0 40 FIAB O=C(Nc1cccc(Cl)c1)c1ccccc1SCC(=O)N1CCCC1 14427555 IONBNNHPQJWYSB-UHFFFAOYSA-N 374.893 4.307 0 40 FIAB COc1cc2c(cc1OC)[C@H](c1ccccc1OCC(C)C)CC(=O)N2 20154626 WBKDIXSDFVLXAF-HNNXBMFYSA-N 355.434 4.213 0 40 FIAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 22510944 YGKFXHUFWGGCDG-SFHVURJKSA-N 366.505 4.247 0 40 FIAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(C(F)(F)F)cc1 23820894 YQGMYFKNPPEPPT-LBPRGKRZSA-N 361.367 4.135 0 40 FIAB C[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 27254050 OTPQGLXFOAOXAH-YJBOKZPZSA-N 355.482 4.081 0 40 FIAB CCOCc1ccc(CNC(=O)N(C)[C@@H](C)c2ccccc2OC)cc1 27371557 ZAAWBOLPIQWRQO-INIZCTEOSA-N 356.466 4.134 0 40 FIAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCCN1CCCCC1 27789727 IDQHZCMXJJXJHK-UHFFFAOYSA-N 355.507 4.233 0 40 FIAB O=C(c1ccco1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 28232058 JJGDHAVVYQZJSQ-CQSZACIVSA-N 354.233 4.408 0 40 FIAB Cc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n(Cc2ccccc2)n1 28241405 ZENROVSPHKNQMR-HNNXBMFYSA-N 369.852 4.299 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1CC 30754228 NLZFUSVZIPYPQI-KRWDZBQOSA-N 355.478 4.164 0 40 FIAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2nnc(N)s2)cc1 32117657 RNMYTZXJJWFNKX-UHFFFAOYSA-N 370.503 4.282 0 40 FIAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1Cl 33588719 RYYQIAQCBSMUEO-UHFFFAOYSA-N 362.216 4.016 0 40 FIAB COc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3C)CCCC2)cc1 35622771 OODDKIOWPQPUKF-UHFFFAOYSA-N 363.465 4.169 0 40 FIAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNC1CCCCC1 55107078 PKIZYYZUOWTCBY-XNTDXEJSSA-N 350.871 4.256 0 40 FIAB CC1=C(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)C(=O)OC1(C)C 58177877 XTAMMGLNLVETHL-UHFFFAOYSA-N 356.447 4.017 0 40 FIAB O=c1oc2ccccc2n1CCCN1CCC[C@H]1c1ccccc1Cl 58179752 DVXPSEJKBORILN-KRWDZBQOSA-N 356.853 4.475 0 40 FIAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccnc2S)CC1 58391912 ZAOZDJRKGNZVJM-UHFFFAOYSA-N 351.475 4.180 0 40 FIAB COc1ccc(-c2noc(Cc3nnc(-c4cc(C)cc(C)c4)o3)n2)cc1 65185579 LYRBCNNGBKHBIM-UHFFFAOYSA-N 362.389 4.003 0 40 FIAB C[C@H]1CN(CC(=O)Nc2ccccc2Br)[C@@H]1c1ccccc1 72308829 ZILRSSYPLXJXMK-UGSOOPFHSA-N 359.267 4.081 0 40 FIAB COc1ccc(CNC(=O)N(Cc2ccoc2)C2CCCCC2)cc1OC 75489213 AFHHHHJYPHZLMG-UHFFFAOYSA-N 372.465 4.341 0 40 FIAB CCOc1ccc2c(c1)C=C(C(=O)Nc1c(C)cc(N(C)C)cc1C)CO2 84810949 WJJKQHHHQCPJDN-UHFFFAOYSA-N 366.461 4.183 0 40 FIAB Cc1ccc(C(=O)Nc2nnc(CCOc3cc(C)ccc3C)s2)cc1 95116420 KVZVJIYBTPNMEH-UHFFFAOYSA-N 367.474 4.337 0 40 FIAB OC1CCN(c2ncccc2NCc2cccc(-c3ccccc3)c2)CC1 95443035 BUCMCJSHBBEAMP-UHFFFAOYSA-N 359.473 4.322 0 40 FIAB Cc1occc1C(=O)N1CCC2(CC1)CC(N(C)Cc1cccs1)C2 96159280 DQZGRPJRCIZMNN-UHFFFAOYSA-N 358.507 4.166 0 40 FIAB COc1ccc(NC(=O)CCCN2C(=O)CC(C)(C)c3ccccc32)cc1 96183625 CGVQHNPKQLWWHK-UHFFFAOYSA-N 366.461 4.128 0 40 FIAB Cn1cc(Cl)cc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 189694630 UOKMDURMUUOMLL-QGZVFWFLSA-N 368.868 4.436 0 40 FIAB O=C(NC[C@H]1CCCN1c1ccccc1)Nc1ccc(C(F)(F)F)cc1 211119753 NAWJTSKGQAUNNB-QGZVFWFLSA-N 363.383 4.496 0 40 FIAB CC[C@H](NC(=O)COc1ccccc1OC)c1ccc2c(c1)CCCC2 223015869 ZGZVXIGRNKTKKO-IBGZPJMESA-N 353.462 4.220 0 40 FIAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)COc1ccc2c(c1)CCCC2 224842602 CSSLKXGKRLKXSF-QFIPXVFZSA-N 365.473 4.147 0 40 FIAB Cc1cc(C)cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(N)cc2)c1 225313475 UXDJZSSUDQKRKO-UHFFFAOYSA-N 366.486 4.281 0 40 FIAB CC[C@H](NC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(OC)cc1 225488623 ZLTSOZIWEVUPRK-KRWDZBQOSA-N 372.490 4.228 0 40 FIAB O=C(CCCC(=O)c1ccccc1)NCc1cncc(-c2cccs2)c1 225664858 BMLJRTOJAJIJRI-UHFFFAOYSA-N 364.470 4.480 0 40 FIAB CCOc1ccc(NC(=S)N[C@H]2CCCc3cc(OC)ccc32)cc1 225702671 SZFPGDJAFLYIPJ-IBGZPJMESA-N 356.491 4.458 0 40 FIAB Cc1c(CO)c2ccccc2n1C(=O)Cc1ccc(Br)cc1 226366283 BIUQFLHHCICSQX-UHFFFAOYSA-N 358.235 4.087 0 40 FIAB Cc1cc(C(=O)N[C@H](C2CC2)C(F)(F)F)ccc1NC(=O)CC(C)C 585083252 HRAVIFQPYPWKLH-MRXNPFEDSA-N 356.388 4.050 0 40 FIAB c1cncc(COCC[C@@H]2CCOC23CCN(Cc2cccs2)CC3)c1 585105238 RGPQAIKCCSFPHQ-LJQANCHMSA-N 372.534 4.121 0 40 FIAB O=C(/C=C/c1ccsc1)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 618256522 TYKGXDLPFNVIDM-XOFWJLNASA-N 355.484 4.340 0 40 FIAB O=C(NC[C@H](c1ccsc1)c1ccco1)c1cc(=O)c2ccccc2o1 618256795 LYZIYDXCEZLGJY-OAHLLOKOSA-N 365.410 4.009 0 40 FIAB Cc1ccc(-c2ccc(-c3nc(COC[C@@H]4CCOC4)no3)c(F)c2)cc1 647441788 PNCXKNCJPQKKAA-OAHLLOKOSA-N 368.408 4.404 0 40 FIAB CC(F)(F)c1ccccc1NC(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 667184257 MKTUFCDJSYDJRF-HOTGVXAUSA-N 360.404 4.493 0 40 FIAB CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1Cl)C(C)C 1772768878 DDYHEQVMLVMWJA-UHFFFAOYSA-N 351.809 4.320 0 40 FIAB COc1ccc(-c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1 784065 LLNRBGCPXZBMIQ-UHFFFAOYSA-N 361.397 4.021 0 40 FIAB CC(C)COC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 799483 FWSBKNSGIJJGNV-UHFFFAOYSA-N 356.245 4.172 0 40 FIAB COc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1Cl 802934 UALASQKWYTVMMF-UHFFFAOYSA-N 366.804 4.101 0 40 FIAB CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)CC 929397 HHVLNUZALPUKSK-UHFFFAOYSA-N 374.412 4.224 0 40 FIAB O=C(Nc1ccccc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1050551 DPRYZDRJQQWHHE-HNNXBMFYSA-N 358.703 4.149 0 40 FIAB CCCCCOC(=O)[C@@H](C)n1cnc2scc(-c3ccccc3)c2c1=O 1776866 UURZNUJPZXVERU-CQSZACIVSA-N 370.474 4.419 0 40 FIAB CC(=O)OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12 1912309 IEEYZMDMNKGAKK-UHFFFAOYSA-N 355.825 4.315 0 40 FIAB CCCCOC(=O)COc1cc2oc(=O)c(Cl)c(C)c2cc1Cl 3183122 VDSXJLNHIZSQOT-UHFFFAOYSA-N 359.205 4.130 0 40 FIAB COc1cccc(/C=C/C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 3377328 CKAMHLHPIUXXAY-BJMVGYQFSA-N 370.792 4.155 0 40 FIAB CCN(CC)CCN(C(=O)c1ccco1)c1nc2ccc(C)cc2s1 4359435 ABDWWNLXSIGMEJ-UHFFFAOYSA-N 357.479 4.186 0 40 FIAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 4702973 LBSJXZNGOSQAAK-CYBMUJFWSA-N 369.303 4.029 0 40 FIAB O=C(COC(=O)c1ccc2ccccc2c1O)Nc1ccc2ccccc2c1 5039444 VIWMFBDMRUSABU-UHFFFAOYSA-N 371.392 4.494 0 40 FIAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccccc1F 5099334 OVGOOTPQORUJLR-UHFFFAOYSA-N 364.376 4.264 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1 6084994 BVZVLSLYGHEYHZ-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB Brc1ccc(-c2cc3n(n2)CCc2nc4ccccc4n2-3)cc1 6161451 WROZZLYNFNTPKH-UHFFFAOYSA-N 365.234 4.208 0 40 FIAB COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1C 6660452 NXTHCWASBWNANP-UHFFFAOYSA-N 371.820 4.253 0 40 FIAB O=C(NCCC(=O)N(Cc1ccccc1)c1ccccc1)Nc1ccccc1 6881240 KNJCKNYYSFYGER-UHFFFAOYSA-N 373.456 4.432 0 40 FIAB CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1cnn(-c2ccccc2)c1 7116800 ZGSKMECAWUFQJI-VAWYXSNFSA-N 374.469 4.154 0 40 FIAB COc1ccc(CN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1 7388072 YSFBPYPYQUQHLT-NRFANRHFSA-N 364.420 4.304 0 40 FIAB COc1ccc(-c2nc(CN3CCc4ccccc43)cs2)cc1OC 7600809 ODSSHUKLOBRORL-UHFFFAOYSA-N 352.459 4.390 0 40 FIAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1COc2ccc(Cl)cc2C1 7957415 UXWWUFNKLGXFPX-NSHDSACASA-N 353.752 4.131 0 40 FIAB COc1cccc(CN(C)C(=O)c2cc3c(F)cccc3s2)c1OC 8072772 YRUUSKKARSMAGY-UHFFFAOYSA-N 359.422 4.330 0 40 FIAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 8429827 PGNFSVSTGCJXEI-LLVKDONJSA-N 366.339 4.070 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)O)C1 8699258 RWQXYYSHOCDDIC-NEPJUHHUSA-N 360.237 4.029 0 40 FIAB Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)no1 9206732 VPXNQWXHNMLFOC-UHFFFAOYSA-N 357.366 4.172 0 40 FIAB CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1ccccc1F 9306243 LYOQSEHIVDLCCK-UHFFFAOYSA-N 373.453 4.284 0 40 FIAB Cc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C)nn3c2C)c(C)c1 9484055 JMXATCKNUZSSDB-UHFFFAOYSA-N 371.444 4.277 0 40 FIAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccc(SC)cc2)C1=O 9585620 QWKAJHCVNMHYQA-LJQANCHMSA-N 374.893 4.419 0 40 FIAB O=C(COc1ccccc1Cc1ccccc1)Nc1nc2ccccc2[nH]1 9591180 NZAZNICYJHCCNV-UHFFFAOYSA-N 357.413 4.171 0 40 FIAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(Br)c1 9953881 KAUVWUZGKLCKNC-UHFFFAOYSA-N 358.191 4.116 0 40 FIAB CSc1cccc(-n2nnc(C(=O)OCc3ccc(Cl)cc3)c2C)c1 12416125 GBEVGFODKWXXPV-UHFFFAOYSA-N 373.865 4.308 0 40 FIAB O=C(Cc1csc2nc(-c3ccccc3)cn12)NCC1CCCCC1 12525626 AUJYNYNNMYGHTK-UHFFFAOYSA-N 353.491 4.302 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1c1ccc(OC(F)F)cc1 12542590 AYCPBLIDQGDYRR-GOSISDBHSA-N 367.355 4.454 0 40 FIAB CCOc1ccc2nc(SCC(=O)N[C@H](C)c3ccc(F)cc3)[nH]c2c1 12550142 BKDVYSKFJXXZKS-GFCCVEGCSA-N 373.453 4.070 0 40 FIAB Cc1cccnc1NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12550566 MPUDRWSIQCGEMM-UHFFFAOYSA-N 356.385 4.359 0 40 FIAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 13689111 QTUSLLLASFTFEU-CQSZACIVSA-N 351.402 4.263 0 40 FIAB Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710348 ZCRNUZDASMJXQX-GOSISDBHSA-N 357.519 4.429 0 40 FIAB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc(F)cc1 14086012 HBLMRMDXBVKJRX-GFCCVEGCSA-N 362.474 4.186 0 40 FIAB CN(C)Cc1ccccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 14185046 ISFZPXFFPNPHLT-UHFFFAOYSA-N 352.265 4.377 0 40 FIAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1C 14398610 VFKYMKGSGKUQNS-OAHLLOKOSA-N 369.461 4.485 0 40 FIAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 16134304 PLPZTDRTPINXDC-HOTGVXAUSA-N 365.816 4.027 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1nc(=O)c2ccccc2s1 18323368 FWUMIPMBOAZOTR-UHFFFAOYSA-N 362.863 4.041 0 40 FIAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 23382013 RIIMNQHQZLDDBU-UHFFFAOYSA-N 356.897 4.211 0 40 FIAB COc1ccccc1[C@H](CNC(=O)C1CCC(C(C)(C)C)CC1)N(C)C 23985072 JXEBDYHZPXWUAY-TVPLGVNVSA-N 360.542 4.267 0 40 FIAB CC[C@H](CNC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1ccccc1 29475891 PBBMMKYRZCGBMX-XMSQKQJNSA-N 362.473 4.261 0 40 FIAB CCCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccc1 30768840 AAKOMVFBTPSJCZ-UHFFFAOYSA-N 361.507 4.351 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)N(Cc1ccc2cc[nH]c2c1)C1CC1 32124138 UQRGHJWZCSNIEK-FPYGCLRLSA-N 360.413 4.101 0 40 FIAB biogenic Cc1cc(C)c(CNC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(=O)[nH]1 32769054 JTEDQCKNNBFHJP-UHFFFAOYSA-N 366.461 4.029 0 40 FIAB O=C(NC1CCCCCCC1)N1CC=C(c2c[nH]c3ncccc23)CC1 32795098 UCLSYRZXUOOQGN-UHFFFAOYSA-N 352.482 4.475 0 40 FIAB CCOc1cc2c(cc1COC(=O)c1ccc(C(C)=O)s1)O[C@H](C)C2 32850460 IZVRDQKSLKDUJE-LLVKDONJSA-N 360.431 4.030 0 40 FIAB Cc1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)on1 32859899 RXOOKXVAVWIRTP-UHFFFAOYSA-N 367.352 4.301 0 40 FIAB O=C(CCc1ccccc1)NC1CCN(C(=O)CCC2CCCCC2)CC1 32924938 ZWUVXLHEZDYOIT-UHFFFAOYSA-N 370.537 4.087 0 40 FIAB Sc1nnc2c3cc(Br)ccc3n(Cc3ccccc3)c2n1 35156087 NFOCLTJBFYLQKZ-UHFFFAOYSA-N 371.263 4.079 0 40 FIAB Clc1ccc(-n2nnnc2C2(NCc3ccccc3)CCCCC2)cc1 35622724 OZNUGTFOTBTLDV-UHFFFAOYSA-N 367.884 4.265 0 40 FIAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCc3ccccc32)cc1 38773071 MISYHDAOKDCSCV-UHFFFAOYSA-N 372.424 4.230 0 40 FIAB COc1ccc(C)cc1[C@H](C)NC(=O)Nc1ccc(NC(=O)C(C)C)cc1 40104010 SCAIJZYGRXGYJE-HNNXBMFYSA-N 369.465 4.481 0 40 FIAB Cc1nn(-c2ccccc2)cc1CCCNC(=O)CCc1cccc(F)c1 40108782 BQDQEBSXFKEITL-UHFFFAOYSA-N 365.452 4.001 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc(OCc2nccn2C)cc1)c1cccs1 40119434 OUVBVYIXASDGHD-LJQANCHMSA-N 369.490 4.188 0 40 FIAB CC(C)COc1ccccc1[C@H]1CC(O)=Nc2c1ncn2-c1cccnc1 40266696 AGXUFHZISXEWLP-QGZVFWFLSA-N 362.433 4.426 0 40 FIAB CCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 43865755 YBLLZWOGKUIZBB-CYBMUJFWSA-N 351.406 4.065 0 40 FIAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(C(=O)OC)ccc1C 44949275 IACHZSIJHNXPSC-SFHVURJKSA-N 355.434 4.195 0 40 FIAB CC(=O)c1ccccc1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1 45726512 WHAAZMAYMFQFHB-UHFFFAOYSA-N 370.355 4.394 0 40 FIAB Cc1oc(-c2cccs2)nc1C(=O)NCCc1c[nH]c2ccccc12 46565505 DNNDXAKCDVLYHY-UHFFFAOYSA-N 351.431 4.165 0 40 FIAB CCc1noc(-c2ccnc(SCC(=O)Nc3c(C)cccc3C)c2)n1 49405389 PZKXSTOPJVITCM-UHFFFAOYSA-N 368.462 4.042 0 40 FIAB COc1ccc(OC)c(NC(=O)Nc2cccc(Br)c2)c1 51354327 RAOVCKKQJMHDJK-UHFFFAOYSA-N 351.200 4.110 0 40 FIAB Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC[C@H]1C1CCCC1 56602921 JVDCYWDOYUDHLR-FQEVSTJZSA-N 357.498 4.018 0 40 FIAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1F 58246754 CGDYMBWCBDRTOF-UHFFFAOYSA-N 358.266 4.194 0 40 FIAB O[C@@H](CNCC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccccc1 58440357 WCQMDAJOESWOOE-KRWDZBQOSA-N 350.245 4.092 0 40 FIAB Cc1nc(NC2CCCC2)sc1C(=O)Nc1nnc(C2CCC2)s1 61718224 IOPBACKYOSOZCG-UHFFFAOYSA-N 363.512 4.177 0 40 FIAB Cc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 61720499 PADDNNPIPHOPDQ-UHFFFAOYSA-N 367.459 4.013 0 40 FIAB CCCN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)[nH]c1=O 65621804 OADUUGKYQSGQLD-UHFFFAOYSA-N 352.459 4.156 0 40 FIAB CCC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnco3)c2)cc1C 69598406 LVOVYTQDRHHNHU-UHFFFAOYSA-N 365.393 4.038 0 40 FIAB Cc1cc(C(=O)Nc2sc3c(c2C(=O)c2ccco2)CC[C@H](C)C3)on1 71874135 ZVHNYYFUFINQFV-JTQLQIEISA-N 370.430 4.246 0 40 FIAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(Cc3ccnn3C)C2)n1 72354103 ZSMJKHDLBGVVAY-NRFANRHFSA-N 360.505 4.094 0 40 FIAB CN(C)c1cccc(C(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c1 72389697 PDXRHNSHFVFBGG-HXUWFJFHSA-N 359.473 4.321 0 40 FIAB O=C(Nc1cccc(I)c1)N1CCC[C@H]2CCC[C@H]21 79019452 ITDCYMGPUFVSRA-BXUZGUMPSA-N 370.234 4.088 0 40 FIAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2C1=Cc2ccccc2O[C@@H]1C 79473297 WAFJPKFCHIXXLJ-DIFFPNOSSA-N 371.462 4.410 0 40 FIAB COc1cccc2c(C)c(C(=O)Nc3c(C)cnn3-c3ccccc3)oc12 84563908 XONZIZBETBCZBC-UHFFFAOYSA-N 361.401 4.496 0 40 FIAB COCCc1noc(CN(C2CC2)[C@H]2CCCC[C@@H]2C2CCCCC2)n1 89420260 CXLMQGMRXLCXSQ-MOPGFXCFSA-N 361.530 4.362 0 40 FIAB Cc1csc([C@@H](OC(=O)Cc2cccc3cccnc23)C(F)(F)F)n1 89705294 BBLHLBKTGFLEGE-OAHLLOKOSA-N 366.364 4.389 0 40 FIAB FC(F)Oc1cccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 89780666 FUYUPSDRBXZQHP-UHFFFAOYSA-N 355.388 4.454 0 40 FIAB O=S(=O)(Nc1ccccc1Cl)c1ccc(Br)c(F)c1 95067878 CFRDFHXZYPHVMR-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccco2)C1 102603560 XWKWFBCNAZINHU-MGNBDDOMSA-N 368.343 4.215 0 40 FIAB Cc1noc(CSc2ccc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)n1 104118595 KRLUYWTXUUIGGD-GKEYINFOSA-N 371.506 4.225 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 222963087 LBRKQCJZCAWJKG-CQSZACIVSA-N 367.474 4.482 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 222983087 DSROTMUZXGKUTJ-LBPRGKRZSA-N 373.324 4.425 0 40 FIAB COC(=O)c1ccc(C)c(NC(=S)NCCCc2cccc(C)c2)c1 225392083 IGDNACPPPATFRQ-UHFFFAOYSA-N 356.491 4.009 0 40 FIAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225604818 YVFIYMVXGXKTDH-SFHVURJKSA-N 357.878 4.288 0 40 FIAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(Cl)cc3)n2)c1 225814408 SRUDHZZWSYNIGA-UHFFFAOYSA-N 358.854 4.185 0 40 FIAB Cc1ccc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)cc1C 225820177 XZBUHTCADTZJKD-UHFFFAOYSA-N 372.881 4.493 0 40 FIAB CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C(\C)C[C@H](C)[C@@H]1OC(=O)[C@H]1CC 248199665 UNBMQQNYLCPCHS-YGHGOSOBSA-N 352.515 4.159 0 40 FIAB COc1cc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)ccc1N1CCCC1 257306765 SVUGYJAALQBOSD-XEIWIBFFSA-N 359.510 4.169 0 40 FIAB O=C(c1cncs1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257318790 VPJNJVHOWRKGHV-INIZCTEOSA-N 371.437 4.228 0 40 FIAB CCc1cc(C(=O)[C@@H](Br)CBr)ccc1Cl 382741848 ZZAAXKCGPDIMAL-VIFPVBQESA-N 354.469 4.244 0 40 FIAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)cc1C 585148146 OQXUEYHHTBRWOC-IBGZPJMESA-N 350.418 4.419 0 40 FIAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2c(C3CCC3)cnn2C)c1 619245241 ZWDCSZSLRZCQSP-INIZCTEOSA-N 369.509 4.203 0 40 FIAB C[C@@H]1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@@H]1n1ccnc1 675255018 FZGIXBMCHQMWAC-DOMZBBRYSA-N 374.897 4.316 0 40 FIAB Cc1oc(-c2ccsc2)nc1CC(=O)N1Cc2ccccc2OC[C@@H]1C 679860696 FGSZWZVKRNGARQ-ZDUSSCGKSA-N 368.458 4.064 0 40 FIAB Cc1noc(C)c1C(=O)N1CCC[C@@]12CN(c1cccc(F)c1)C(C)(C)C2 1615158414 QIFPVQKLXRPXLY-OAQYLSRUSA-N 371.456 4.094 0 40 FIAB Cc1ccncc1C(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 2037988746 GYTXJGYYISLNOS-UZLBHIALSA-N 367.468 4.049 0 40 FIAB COc1cccc(CN2CCC[C@@]23CN(c2cccc(F)c2)C(C)(C)C3)n1 2037988768 HRLGCDJXLKZPBH-JOCHJYFZSA-N 369.484 4.253 0 40 FIAB CCOc1c(Cl)cc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC 1192952 FZKHFZLDSHAWGC-XYOKQWHBSA-N 363.822 4.153 0 40 FIAB O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1396434 BSLWRDBDNUWZNB-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 3072840 BKOSVUWADHVPOY-MRXNPFEDSA-N 354.425 4.160 0 40 FIAB CCOc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(Cl)c1)C(C)C 3517801 QAKXORRHFLKWQJ-SFHVURJKSA-N 374.868 4.132 0 40 FIAB O=C(N1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 4478356 XQHUAJZFAQXNAE-UHFFFAOYSA-N 358.913 4.205 0 40 FIAB CC(=O)N[C@H]1CCCC[C@H]1c1ccc([C@@H]2CCCC[C@@H]2NC(C)=O)cc1 4995130 HOAWBXFLPWAFLR-CMOCDZPBSA-N 356.510 4.011 0 40 FIAB COc1cccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)c1 5046633 KHWWAJMMCLDHQM-UHFFFAOYSA-N 372.453 4.465 0 40 FIAB Cc1ccccc1C(=O)N(c1ccc(C(C)C)cc1)[C@@H]1C=CS(=O)(=O)C1 5081358 IVCLSUWYVAYFLS-LJQANCHMSA-N 369.486 4.076 0 40 FIAB COc1ccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)cc1 6237427 UDXXABSEHBRADR-UHFFFAOYSA-N 371.487 4.400 0 40 FIAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)s1 7055682 WRBICHGEDCWUQC-UHFFFAOYSA-N 371.867 4.244 0 40 FIAB CC(=O)c1sc(NC(=O)c2cnc3ccccc3n2)nc1-c1ccccc1 7214022 LGGNSVCFLQHJPN-UHFFFAOYSA-N 374.425 4.208 0 40 FIAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 7381153 QPXOYEVPBLWXNL-KRWDZBQOSA-N 372.896 4.073 0 40 FIAB O=C(CSc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 7448423 JNDBMYKFBKBGAH-UHFFFAOYSA-N 354.519 4.081 0 40 FIAB CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 8020344 XHRWHNXKANBMFT-MRXNPFEDSA-N 365.502 4.382 0 40 FIAB Cc1cc(C2=NN=C(NCc3ccc(F)cc3)SC2)c(C)n1C1CC1 8316504 NOYOWCVMDBWAPY-UHFFFAOYSA-N 356.470 4.176 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)cc1 8496237 PXSZHVWYPDAAQC-QGZVFWFLSA-N 361.825 4.313 0 40 FIAB COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 8497894 GMYOMDAJUSBARI-LBPRGKRZSA-N 370.276 4.051 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)cc1Cl 8514517 AAKYUMPRJLJPBR-HNNXBMFYSA-N 353.249 4.153 0 40 FIAB COc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 8673462 OTGOWVKDZDCHAT-DHZHZOJOSA-N 362.429 4.256 0 40 FIAB CCOC(=O)N1CCN(C(=O)c2cc3sc4ccccc4c3s2)CC1 8940467 QMAFIJKMRRGPCV-UHFFFAOYSA-N 374.487 4.030 0 40 FIAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3F)cc21 8959665 WMWQBSOFLMSSIN-UHFFFAOYSA-N 370.424 4.240 0 40 FIAB COc1ccc(OCC(=O)N(Cc2ccco2)Cc2sccc2C)cc1 9204524 GAEUHHOTBZVZGT-UHFFFAOYSA-N 371.458 4.266 0 40 FIAB CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 9315686 HELMZPQHXBYHHK-UHFFFAOYSA-N 369.421 4.089 0 40 FIAB COc1ccccc1-c1nnc(SCC(=O)c2c[nH]c3ccccc23)o1 9482343 NCMJOEJTHVEELY-UHFFFAOYSA-N 365.414 4.202 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)c1 11140127 QNKIJKQGWFPDSE-UHFFFAOYSA-N 372.852 4.101 0 40 FIAB O=C(NCCCn1c(-c2ccc(F)cc2)cc2cccnc21)c1ccncc1 12327447 CWZBGLGNMHDFSY-UHFFFAOYSA-N 374.419 4.058 0 40 FIAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3cnc4ccccc4n3)C2)c(C)c1 12414751 PPCPIKZATCIMHM-QGZVFWFLSA-N 360.461 4.102 0 40 FIAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1F 12908393 MAWODMVILUEBTA-GFCCVEGCSA-N 374.412 4.491 0 40 FIAB CC(C)c1ccc(CN(C(=O)CNC(=O)Nc2ccccc2)C2CC2)cc1 12934372 DOHQSBQSWHGORT-UHFFFAOYSA-N 365.477 4.123 0 40 FIAB COc1ccc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)cn2n1 13710168 QHCUTOSAEJVAOM-UHFFFAOYSA-N 359.389 4.049 0 40 FIAB Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)oc2ccccc12 14139556 NOVNYRWHUUZUQB-SNVBAGLBSA-N 368.458 4.279 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cnc2c(cnn2C(C)C)c1 14712256 IEUZQJXNIBRGGR-UHFFFAOYSA-N 374.448 4.067 0 40 FIAB CSc1ncc(C(=O)Oc2ccc(C(C)=O)cc2)n1-c1ccc(F)cc1 15319958 GERFXYWFXHQABB-UHFFFAOYSA-N 370.405 4.155 0 40 FIAB O=C(NCc1ccccc1F)c1cc(-c2ccccn2)nc2ccccc12 15544379 HNTBWEWEEWCRTK-UHFFFAOYSA-N 357.388 4.366 0 40 FIAB Cc1cc(C)cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 15589825 MKERRYSEMWRYLD-IBGZPJMESA-N 351.446 4.442 0 40 FIAB O=C(Nc1nc2ccc(F)cc2s1)c1c(F)c(F)c(F)c(F)c1F 17074501 CJPJHCVYXVDCFS-UHFFFAOYSA-N 362.254 4.383 0 40 FIAB COc1cc(C)ccc1CN1CCCC[C@@H]1c1n[nH]cc1-c1cc(C)no1 19134016 MYPDNJKOMXKHTQ-GOSISDBHSA-N 366.465 4.417 0 40 FIAB CCn1nc(C)c([C@H](C)NC(=O)c2cccc(N3CCCCC3)c2)c1C 19523772 VDBGRYAZFWDLPF-HNNXBMFYSA-N 354.498 4.001 0 40 FIAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3cnn(C)c3C)CC2)n1 19691534 BLDBNASHNVDRHH-UHFFFAOYSA-N 374.488 4.119 0 40 FIAB COc1ccccc1CNC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246018 KQDWEMNPNXNFLN-UHFFFAOYSA-N 371.437 4.273 0 40 FIAB O=C(NCc1ccccn1)c1cccc(-c2ccc(C(F)(F)F)cn2)c1 22996626 PQSDOODTFISTCI-UHFFFAOYSA-N 357.335 4.092 0 40 FIAB O=C(CCCOc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1 23016501 DMNMFDZZPZUUSX-UHFFFAOYSA-N 364.401 4.330 0 40 FIAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(C)C)CC2=O)c1 24832633 CNYAJQIJHXTHQI-KRWDZBQOSA-N 350.462 4.364 0 40 FIAB C[C@@]1(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CC1(Cl)Cl 28636254 WTHYNNHUMIMZLB-INIZCTEOSA-N 352.265 4.285 0 40 FIAB Cc1c([C@@H](C)NC(=O)c2ccoc2)cnn1-c1cccc(C(F)(F)F)c1 29318641 AKWKPOCUKCQZAF-LLVKDONJSA-N 363.339 4.284 0 40 FIAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(N2CCCC2=O)c1 30546383 MSKCKGFRINCCDC-UHFFFAOYSA-N 363.461 4.056 0 40 FIAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(F)cc1)c1cccc(OC)c1 32902753 QVKGNXOQXVYCLC-QGFLDLQWSA-N 370.468 4.047 0 40 FIAB OCCCSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 39482824 YZQDQMGUNLVLKQ-UHFFFAOYSA-N 363.845 4.201 0 40 FIAB CCCSc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 39989153 RAVMMNMAWOTNPR-UHFFFAOYSA-N 371.915 4.328 0 40 FIAB COc1ccc(Nc2ccccc2C(=O)Nc2ccc(N(C)C)nc2)cc1 40108673 VJENJGHNQCPRMN-UHFFFAOYSA-N 362.433 4.152 0 40 FIAB Cc1ccc(OC(=O)Cn2c(-c3ccc(F)cc3)c(C)sc2=O)c(C)c1 40130081 XASBUYANKCDPFJ-UHFFFAOYSA-N 371.433 4.247 0 40 FIAB O=C(c1[nH]c2ccccc2c1Cl)N1CCN(c2cccc(Cl)c2)CC1 40143327 BVAGNZHAFNWXBI-UHFFFAOYSA-N 374.271 4.437 0 40 FIAB CC(C)n1nccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 40161358 GRAGSQLZXXCQPS-RYUDHWBXSA-N 369.296 4.449 0 40 FIAB COc1ccc(-n2cc(C(=O)O)c3c2[C@@H](c2ccsc2)CC(O)=N3)cc1 40266992 PLQSRJZQYLDPDL-CQSZACIVSA-N 368.414 4.369 0 40 FIAB CCCc1cc(=O)n2c3ccccc3n(Cc3c(F)cccc3Cl)c2n1 40484763 LMWHPDPAZKHWND-UHFFFAOYSA-N 369.827 4.443 0 40 FIAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(CN2CCCC2)cc1 44872536 YUHVVNANCVDGCL-INIZCTEOSA-N 372.896 4.020 0 40 FIAB Cc1nc(S[C@@H](C)c2nc(C(C)(C)C)no2)n(C[C@@H]2CCCO2)c1C 48331600 NWBDRPPEJWWPKY-KBPBESRZSA-N 364.515 4.213 0 40 FIAB C[C@H](Nc1ccc(F)c(F)c1)C(=O)Nc1nnc(C2CCCCC2)s1 48512793 AJSQLDFZAASKAY-JTQLQIEISA-N 366.437 4.303 0 40 FIAB C[C@H]1CCc2c(sc3ncnc(NCc4ccc(CO)c(F)c4)c23)C1 65490869 PNYZLDRTEXRPMC-NSHDSACASA-N 357.454 4.060 0 40 FIAB CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(C)ccc(C)c3s2)c1 70640897 PTPRYWVFZLHORZ-UHFFFAOYSA-N 367.474 4.191 0 40 FIAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 72349328 HSKWXIOJTAHPCQ-KRWDZBQOSA-N 350.462 4.263 0 40 FIAB C[C@H](NC(=O)c1ccccc1Cn1cccn1)c1cccc(C(F)(F)F)c1 78869707 WCJTWNTUVGCVAY-AWEZNQCLSA-N 373.378 4.441 0 40 FIAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc2cc(F)ccc2s1 84405114 WVVCHCHILFIAQM-CYBMUJFWSA-N 372.440 4.436 0 40 FIAB Cc1c(NCc2cnn(Cc3ccccc3)c2)cnn1-c1ccccc1F 95455353 JSDHXFXRGKXVJH-UHFFFAOYSA-N 361.424 4.177 0 40 FIAB C[C@@H]1CSC(S[C@H](C)C(=O)N(c2nccs2)C2CCCCC2)=N1 95980503 XZQWKLLASSBMOY-VXGBXAGGSA-N 369.581 4.422 0 40 FIAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(CC3CC3)CC2)Oc2ccccc21 96053494 RZAYFLGPQARTCC-LJQANCHMSA-N 370.537 4.056 0 40 FIAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cc3ccncc3)cc2)c1 96459886 ADALGIXYBBPHOI-INIZCTEOSA-N 362.429 4.087 0 40 FIAB O=C(CSCc1ccc(F)cc1)NCCCN1CCCc2ccccc21 219264789 AZNBDPSACWAUIP-UHFFFAOYSA-N 372.509 4.018 0 40 FIAB CCc1cc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)ccc1OC 223494673 UZPGVCZNXUCZKY-INIZCTEOSA-N 361.507 4.222 0 40 FIAB Cc1ccc(CNC(=S)Nc2ccc(N3CCCC[C@@H]3C)nc2)cc1 223943962 QGWYAXMTQBZTSG-INIZCTEOSA-N 354.523 4.255 0 40 FIAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)cc1 224603157 LMPXDWZXHMFBMG-UHFFFAOYSA-N 360.262 4.217 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCC1 224782877 BDDPTHIMQUXZTB-MRXNPFEDSA-N 372.896 4.020 0 40 FIAB O=C(Nc1c(F)cccc1F)c1snnc1-c1ccc(Cl)cc1 225770099 PQSFCVDIPZJNGF-UHFFFAOYSA-N 351.765 4.389 0 40 FIAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3OC(C)(C)OC[C@]32C)[C@]12CC[C@](C)(CO)O2 245236558 UJHGQFKKYLHYKM-KUXHWFLBSA-N 366.542 4.291 0 40 FIAB Cc1cc(C(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)ccc1Cl 409180662 YYAUGKWLIMDJMZ-OAHLLOKOSA-N 362.779 4.147 0 40 FIAB CNC(=O)CC[C@H]1CCCCN1Cc1ccc(Cl)c(C(F)(F)F)c1 576148439 FZBMKWCPOUOCAN-CYBMUJFWSA-N 362.823 4.240 0 40 FIAB O=C(Nc1c(O)n[nH]c1-c1ccccc1)c1ccc2ccc(Cl)cc2n1 646462982 KVRDGJRTXRHHQJ-UHFFFAOYSA-N 364.792 4.236 0 40 FIAB Cn1nc(-c2cccs2)cc1CNC(=O)c1ccccc1C(F)(F)F 1775965445 RQPVUUNCISCCOP-UHFFFAOYSA-N 365.380 4.097 0 40 FIAB O=C(Nc1ccccc1)c1cc(Br)cc(Br)c1O 537985 YALKQBRWLMDVSA-UHFFFAOYSA-N 371.028 4.170 0 40 FIAB biogenic,in-man Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=O)C3CC3)c(Cl)nc2cc1C 1329070 CDHULFMTQDUWST-SFHVURJKSA-N 372.896 4.423 0 40 FIAB CCN(C(=O)COC(=O)c1ccccc1F)c1cccc2ccccc12 3394492 VGUGKHGKSTWCGR-UHFFFAOYSA-N 351.377 4.189 0 40 FIAB CC(C)OCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 4592088 HOKYQNVFSILMOB-UHFFFAOYSA-N 363.461 4.084 0 40 FIAB CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 4690807 VUAAYJNYZQHEPJ-UHFFFAOYSA-N 350.374 4.183 0 40 FIAB CC(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 6345799 HCQDHEWJQLMMTF-CQSZACIVSA-N 372.852 4.119 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCc2nc(-c3cccs3)no2)cc1 6804355 GFQNZCNOPFRJTN-UHFFFAOYSA-N 369.475 4.288 0 40 FIAB COc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1OC 6933735 AMJUGFQWQREASG-RMKNXTFCSA-N 351.324 4.375 0 40 FIAB CN(Cc1cccc(Cl)c1Cl)C[C@@H](O)COCc1ccccc1 6939090 WAYZABODHJKSJA-MRXNPFEDSA-N 354.277 4.003 0 40 FIAB Cc1cc(C)cc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c1 6947421 NGUDRKKUGDTNES-UHFFFAOYSA-N 363.866 4.231 0 40 FIAB COc1cc(OC)cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c1 7112863 AWCCKZUNMHPSRI-FQEVSTJZSA-N 364.401 4.064 0 40 FIAB C[C@@H]1CCC[C@@H](NC(=O)CSCc2ccc(-n3cccn3)cc2)[C@@H]1C 7134149 YNMLNTGNIOVRJB-GPMSIDNRSA-N 357.523 4.046 0 40 FIAB O=C(CSc1nccn1Cc1ccccc1)Nc1cccc(Cl)c1 7391530 NMVPCECEIVXGHD-UHFFFAOYSA-N 357.866 4.316 0 40 FIAB Clc1cccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)c1 7419739 LLUIEDABUGZHOK-UHFFFAOYSA-N 373.869 4.486 0 40 FIAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCCc2ccccc21 7954474 SJYODWFLLIDEDS-NRFANRHFSA-N 353.510 4.282 0 40 FIAB C[C@@H]1CCc2c(sc3ncnc(Nc4ccc(C(=O)N(C)C)cc4)c23)C1 7973907 SBYCGUQHRKJRNE-GFCCVEGCSA-N 366.490 4.262 0 40 FIAB COc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104431 LHBKVYALCDIMTJ-CQSZACIVSA-N 352.459 4.325 0 40 FIAB CC[C@@H](CO)NCc1ccccc1OCc1ccc(Cl)cc1Cl 8326400 JYQKFFMEDNOYKX-INIZCTEOSA-N 354.277 4.433 0 40 FIAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2noc(-c3ccccc3)c2c1 8429275 MMAFPMKXAYSAFR-UHFFFAOYSA-N 372.380 4.154 0 40 FIAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(Cl)cc2)cc1 8869606 QPZXSVRFCZDZNT-UHFFFAOYSA-N 357.797 4.431 0 40 FIAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9209989 NEUWGPSMBGSUGT-UHFFFAOYSA-N 354.837 4.152 0 40 FIAB CC(C)(C)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 10357977 UPBCIMAOTHONOZ-UHFFFAOYSA-N 368.496 4.405 0 40 FIAB Cc1ccc(CNC(=O)c2cccc(C)c2NC(=O)c2ccco2)cc1F 10496570 IEURFMKJEHGWEE-UHFFFAOYSA-N 366.392 4.218 0 40 FIAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1OC(F)F 12800182 LGUHJFMLGJVFNB-JTQLQIEISA-N 371.767 4.356 0 40 FIAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(C(F)(F)F)c1 12855277 JBRJUILDTSYJCQ-LBPRGKRZSA-N 355.381 4.235 0 40 FIAB COc1cccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1 12866435 IBKUEZXEXTVSIC-UHFFFAOYSA-N 352.459 4.100 0 40 FIAB O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(OC2CCCC2)c1 12905822 PDNDFUBZYRTMJL-UHFFFAOYSA-N 353.418 4.308 0 40 FIAB COC(=O)c1c(NC(=O)c2cc(C)nc3ccccc23)sc(C)c1C 12935979 RIHOJBLKGFXDGV-UHFFFAOYSA-N 354.431 4.260 0 40 FIAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2SC(F)F)c1 12974985 NVFISYLGKVSOFW-UHFFFAOYSA-N 362.401 4.146 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)NC(C)C)c1 14085746 FJYUKUCVBINDMF-OAHLLOKOSA-N 374.506 4.139 0 40 FIAB O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1ccc(Cl)cc1 14095359 BZIOVBUFEXZNGO-UHFFFAOYSA-N 372.827 4.426 0 40 FIAB C[C@@H]1CCc2c(sc(NC(=O)c3c(F)cccc3Cl)c2C(N)=O)C1 14182958 AYZIMORXPBRDED-MRVPVSSYSA-N 366.845 4.017 0 40 FIAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(F)cc3Cl)c2C(N)=O)C1 14182961 NGJNCKBDEGDYDS-QMMMGPOBSA-N 366.845 4.017 0 40 FIAB CSc1ccc(Cl)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 15582532 DWUPQFNNTMMIQL-UHFFFAOYSA-N 374.937 4.456 0 40 FIAB Cc1cccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)c1 17135368 VDSUZGGHLBRICS-UHFFFAOYSA-N 372.494 4.087 0 40 FIAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4C)c3)no2)cc1 19715050 DVNKSZDXQPIVLC-UHFFFAOYSA-N 372.428 4.456 0 40 FIAB CC(C)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 20729903 RZADCJWYUTYLES-FPOVZHCZSA-N 350.462 4.358 0 40 FIAB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)c1 21576416 NGWUWYGBRAMBNO-UHFFFAOYSA-N 356.441 4.450 0 40 FIAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCc1csc(-c2ccccc2)n1 27993488 YLWNDSIECJUJAZ-AWEZNQCLSA-N 370.449 4.075 0 40 FIAB CCOc1ccc(-c2nsc(NC(=O)c3ccccc3OCC)n2)cc1 28287246 VKDVFBJDFOWJFY-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB CCc1cc(OCC(=O)Nc2ccccc2N2CCCC2=O)ccc1Cl 29457051 SMVXCMDVNKBHQS-UHFFFAOYSA-N 372.852 4.047 0 40 FIAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30943787 OZLOTUGVWUREQQ-NQIIRXRSSA-N 368.496 4.175 0 40 FIAB O=C(Nc1ccc(C2=CSC3=NCCCN23)cc1)c1cc(F)cc(F)c1 32908025 QREBOVHFHOPAAT-UHFFFAOYSA-N 371.412 4.324 0 40 FIAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2nsnc2c1 36709441 NXASKLMCESVPMV-UHFFFAOYSA-N 371.425 4.487 0 40 FIAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 39762765 JKLOWVLAPPMHLQ-UHFFFAOYSA-N 370.468 4.464 0 40 FIAB CC[C@H](C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccccc1 40039543 QWEGZPHJEDVNLZ-IBGZPJMESA-N 362.429 4.342 0 40 FIAB O=C(CC[C@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 40073778 POIUUSSWKGMCJN-CQSZACIVSA-N 356.388 4.203 0 40 FIAB Cc1ccccc1CN1CCN(Cc2cc(Cl)nc(Cl)c2)CC1 40158335 IKDZPIFNUSUNDJ-UHFFFAOYSA-N 350.293 4.015 0 40 FIAB O=C(c1ccc(I)cc1)c1cc(F)cc(Cl)c1 43210056 SPZOWBZSQSGEPD-UHFFFAOYSA-N 360.553 4.315 0 40 FIAB CC(C)Oc1ccc(CN[C@@H](c2cccc(F)c2)c2nccn2C)cc1 48710549 UFGGCLUZMMCZQA-FQEVSTJZSA-N 353.441 4.226 0 40 FIAB CC[C@H]1c2ccc(C)n2CCN1Cc1ccccc1OCCCN(C)C 57811480 PBCPAXPUWWVFPI-FQEVSTJZSA-N 355.526 4.094 0 40 FIAB COc1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)ccc1OC(C)C 58305325 OSCHJUPTGACWMN-CTNGQTDRSA-N 369.461 4.133 0 40 FIAB CCSc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cn1 72217131 XOZOKTONYMTDNQ-QGZVFWFLSA-N 362.520 4.028 0 40 FIAB Cc1nc(C)c2c(C)c(C(=O)N3CCC(C(F)(F)F)CC3)sc2n1 72303148 RXTIJCNNAKAYJK-UHFFFAOYSA-N 357.401 4.031 0 40 FIAB CCN(CC)CCCNc1c(C)c(C)nc2cc(-c3ccoc3C)nn12 72336850 RIAHCXOUSNLPEL-UHFFFAOYSA-N 355.486 4.058 0 40 FIAB CCOc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3O)n[nH]2)cc1 72427489 QICSJMLLDQZYLI-UHFFFAOYSA-N 357.797 4.087 0 40 FIAB CSc1ccccc1CN1CCC(CNC(=O)[C@@H]2CC=CCC2)CC1 75170382 VFNINAGSDTZSKM-GOSISDBHSA-N 358.551 4.093 0 40 FIAB CN(C(=O)Nc1ccccc1C(F)(F)F)[C@@H](CCO)c1ccccc1 76089430 MRYBASAKGJVDSS-INIZCTEOSA-N 352.356 4.293 0 40 FIAB Cc1cc(-c2noc([C@H]3CCCNC3)n2)cc(C)c1OCc1ccccc1 95095394 SXMJNEUMSGXMEE-SFHVURJKSA-N 363.461 4.399 0 40 FIAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC1([C@H](C)CCO)CCC1 95463265 ZZLFDZQLMTVILV-IAGOWNOFSA-N 361.526 4.056 0 40 FIAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 219357006 DRIMWGGNYOEYBY-MOPGFXCFSA-N 369.461 4.271 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 222794541 AZFJQYHAAHZOGV-RBUKOAKNSA-N 354.523 4.381 0 40 FIAB Cc1ccc(C)c(OCCNC(=O)CSCc2cccc(Cl)c2)c1 223978844 OZDXSFIUCAIGQS-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB COc1ccc2cc(S(=O)(=O)NCCCc3cccc(C)c3)ccc2c1 224474917 SSHZSBFSPHRZDE-UHFFFAOYSA-N 369.486 4.068 0 40 FIAB O=C(NCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224536328 POIWHFQKXGWGBG-UHFFFAOYSA-N 374.887 4.050 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225206758 AWUYEFMWZILCOD-MRXNPFEDSA-N 353.447 4.310 0 40 FIAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OCC)cc2)c1 225431507 IBYNFCCTGCABSM-UHFFFAOYSA-N 372.490 4.057 0 40 FIAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)cc1 225457348 HOXYJAWRCROICK-UHFFFAOYSA-N 374.872 4.460 0 40 FIAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225650619 KJERBRHEYPSQRO-NRFANRHFSA-N 362.514 4.085 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 225849558 INEKHCKRXXVQBQ-OKFGHLOFSA-N 369.461 4.165 0 40 FIAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cn1 225873606 UHWPVLWXVXHBOZ-UHFFFAOYSA-N 368.477 4.256 0 40 FIAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccccc2C)c1 408680268 QMERXICZBCKXRG-GOSISDBHSA-N 357.519 4.429 0 40 FIAB Cc1nc2ccc(NC(=S)N3CCN(c4ccccc4)CC3)cc2s1 408976750 GHXKORFOTPIDKU-UHFFFAOYSA-N 368.531 4.124 0 40 FIAB CN1C(=O)S/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409234847 NFUHVHWUKMOLBX-WQRHYEAKSA-N 366.417 4.495 0 40 FIAB O=c1c2ccccc2nc(SCc2ccno2)n1-c1ccc(Cl)cc1 524240954 CXIMMKGISJFCQR-UHFFFAOYSA-N 369.833 4.319 0 40 FIAB O=C(NCc1ccc(Cl)cc1)c1c[nH]nc1-c1ccc(Cl)s1 622272273 PYUQMSIXHQYOKB-UHFFFAOYSA-N 352.246 4.375 0 40 FIAB O=C(C1CCC(F)(F)CC1)N1CCC(COc2ccncc2Cl)CC1 1889114237 JZCBAOWYVSIDDK-UHFFFAOYSA-N 372.843 4.178 0 40 FIAB Cn1nccc1-c1ccc(CCNC(=O)CCc2cccc(Cl)c2)cc1 1889298687 GRTOAZHRDGZKBN-UHFFFAOYSA-N 367.880 4.032 0 40 FIAB CC1(C)C[C@@]2(CCCN2C(=O)C2CC(F)(F)C2)CN1c1ccc(F)cc1 2037989118 WEHDGGDVRHEBNO-IBGZPJMESA-N 366.427 4.221 0 40 FIAB Cc1ccc(C(=O)CSc2nnc(COc3ccc(F)cc3)o2)cc1 875970 FWDONVLONQNNCC-UHFFFAOYSA-N 358.394 4.071 0 40 FIAB COc1ccc(Cl)cc1Nc1nc(Cl)nc(NCc2ccco2)n1 910004 MXGNZMDIPGUMEK-UHFFFAOYSA-N 366.208 4.136 0 40 FIAB Fc1ccc(-c2csc(N3CCN(c4ccccc4F)CC3)n2)cc1 1076361 HZGWHELEYMNASN-UHFFFAOYSA-N 357.429 4.415 0 40 FIAB O=C(COC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 1268499 RGQFDDBZHMEDKJ-UHFFFAOYSA-N 353.599 4.142 0 40 FIAB biogenic Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)c1C 1379429 MZZURSSWVJLKBD-SFHVURJKSA-N 355.413 4.078 0 40 FIAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(Br)o1 3155208 FRLXDIIRACPUNK-YRNVUSSQSA-N 352.571 4.040 0 40 FIAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(F)(F)F 3311349 KZWKFIINHGLTLJ-UHFFFAOYSA-N 351.324 4.118 0 40 FIAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)OCCO2 3354593 ZRCZPMGCIAUCBC-UHFFFAOYSA-N 361.397 4.142 0 40 FIAB CC(=O)c1ccc(OCCCC(=O)Nc2nc3ccccc3s2)cc1 3517017 MADOJGRILVXSFG-UHFFFAOYSA-N 354.431 4.297 0 40 FIAB Cc1ccc(C2=[N+]([O-])C(C)(C)C(c3ccc(C)cc3)=[N+]([O-])C2(C)C)cc1 3667830 HQIWNYYYJLGJQT-UHFFFAOYSA-N 350.462 4.173 0 40 FIAB COC(=O)c1cn(C(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc12 4699696 JLYRVFQMWNKVNJ-UHFFFAOYSA-N 365.429 4.445 0 40 FIAB Cc1cc(C)c(C)c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C 5039746 FRQKBMSRXXBCFZ-OAHLLOKOSA-N 356.491 4.138 0 40 FIAB COc1cccc(OC)c1C(=O)OCc1csc(-c2ccccc2)n1 5537628 ZCPJHLLIRLLXGP-UHFFFAOYSA-N 355.415 4.184 0 40 FIAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)cc1 5980794 UXUWBNCWBBDCIC-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB Cc1ccccc1C(=O)NCCCCCCCNC(=O)c1ccccc1C 6318691 XLZNDHNCUFGECD-UHFFFAOYSA-N 366.505 4.414 0 40 FIAB Cc1cccc(Cc2cnc(NC(=O)c3ccc4c(c3)OCO4)s2)c1 6654641 BSZTWLRYKQOVIW-UHFFFAOYSA-N 352.415 4.023 0 40 FIAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)n1 7252984 IKVBYBWNKNMFPM-GFCCVEGCSA-N 365.886 4.183 0 40 FIAB COc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)nc1 7523756 OYWSTPYOPXXVOV-UHFFFAOYSA-N 358.825 4.205 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccccc1Cl 7535553 FDNFKNMEWSEYGD-UHFFFAOYSA-N 352.217 4.026 0 40 FIAB CC(=O)c1ccc(OC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 7655899 OZMFFAKLNOVXGS-UHFFFAOYSA-N 365.385 4.292 0 40 FIAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)NCc3cccs3)o2)cc1C 7736571 REMZMZSISLEQFT-ZDUSSCGKSA-N 373.503 4.212 0 40 FIAB CC(C)CCC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1 7783217 KJCDTPMAKSQHGF-HZPDHXFCSA-N 366.527 4.013 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1O 7883930 AQHYHYMQLLMTGX-JOCHJYFZSA-N 374.440 4.476 0 40 FIAB CCn1nc(C(=O)Oc2ccccc2-c2ccccc2)c2ccccc2c1=O 7980215 VEAXGXCKUQBBCA-UHFFFAOYSA-N 370.408 4.303 0 40 FIAB COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1Cl 8135144 WBUQTSDPMCCEEN-UHFFFAOYSA-N 355.825 4.403 0 40 FIAB COc1cccc(NC(=O)C[C@H](C)N[C@H]2CCSc3ccccc32)c1 8328527 GBHNLGZJDNHEAB-KSSFIOAISA-N 356.491 4.239 0 40 FIAB Cc1nc(-c2cccc(NC(=O)Cc3cn4ccsc4n3)c2)cs1 8746422 VCFWDSAKGAATBJ-UHFFFAOYSA-N 354.460 4.009 0 40 FIAB Sc1nnc(-c2cc(-c3ccco3)n[nH]2)n1-c1cccc2ccccc12 8973114 WSLYXSIVPHXHRG-UHFFFAOYSA-N 359.414 4.359 0 40 FIAB COc1ccc(NC(=O)CNc2ccccc2SC(F)F)c(OC)c1 9322012 CMTWSVBKKRWSJI-UHFFFAOYSA-N 368.405 4.069 0 40 FIAB Cc1cc2nc(N(CCN(C)C)C(=O)C3CCCCC3)sc2cc1C 9708056 QJFYTMQPGSQVKG-UHFFFAOYSA-N 359.539 4.388 0 40 FIAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccco1 10572942 AQXCDYPENMYNER-UHFFFAOYSA-N 355.238 4.479 0 40 FIAB Clc1cc(CSC2=N[C@@H]3CCCC[C@@H]3N2)cc2c1OCCCO2 11171225 FOUHDBFLDFIKGS-OKILXGFUSA-N 352.887 4.005 0 40 FIAB COc1ccc2[nH]cc([C@H]3CCN(Cc4cccc(OC)c4OC)C3)c2c1 12329478 BAJQQEPHDNRXPY-HNNXBMFYSA-N 366.461 4.183 0 40 FIAB C[C@@H]1C[C@H](Sc2nc(Nc3ccccc3)c3ccccc3n2)C(=O)O1 12524962 GLRWBKLADARQIB-WBMJQRKESA-N 351.431 4.170 0 40 FIAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3ccccc3o2)c1 12526662 MCMUVQGJSMSSPR-UHFFFAOYSA-N 364.401 4.072 0 40 FIAB Cc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3cccnc3)s2)cc1 12546078 QUFSESJLBHBHOK-ZROIWOOFSA-N 356.838 4.231 0 40 FIAB Cc1ccc(C)c(-c2nn(C[C@@H](O)c3ccccc3)c(=O)c3ccccc23)c1 12739848 WMBVJOWJWRYMLB-JOCHJYFZSA-N 370.452 4.414 0 40 FIAB Cc1ccc(C)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 12989752 BTPQAMRATVWXOH-UHFFFAOYSA-N 367.474 4.002 0 40 FIAB CN(C(=O)CSCC(=O)Nc1cccc2ccccc12)C1CCCCC1 13006814 OHKAKBXJAUUKRN-UHFFFAOYSA-N 370.518 4.303 0 40 FIAB Cc1noc(C)c1CC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 14094610 TUYWZWPLKOZUTG-UHFFFAOYSA-N 366.446 4.386 0 40 FIAB COc1ccccc1-c1cnn2c(N3C[C@@H](C)C[C@@H](C)C3)cc(C)nc12 17824601 SFFABMJRHCUJQI-GASCZTMLSA-N 350.466 4.196 0 40 FIAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)c1 17957993 TZLGYBDNCRNDMZ-ZDUSSCGKSA-N 353.447 4.193 0 40 FIAB Cc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccc(C(C)C)cc1 20719102 WUYMBDIUHZOZSI-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB O=C(O)CSc1nnc(-c2cc3ccccc3o2)n1C1CCCCC1 20724182 DMNUSIVKEKZIKB-UHFFFAOYSA-N 357.435 4.373 0 40 FIAB CC(=O)c1ccccc1OCCOC(=O)c1cc2cc(F)ccc2s1 22252343 DVVVDUVCWHYUHC-UHFFFAOYSA-N 358.390 4.479 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c(C)c1 22511516 DBBCZGXBHXIMNG-SFHVURJKSA-N 359.397 4.107 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 25474670 DUOMVLWNBDEANT-UHFFFAOYSA-N 356.809 4.276 0 40 FIAB CC(C)c1ccc(OCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 27582181 SOGCWFBPDNWQLI-LJQANCHMSA-N 372.534 4.204 0 40 FIAB CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1)c1cccc(OC)c1 29328237 YITHKZWXNMYMBI-UWJYYQICSA-N 369.509 4.139 0 40 FIAB Cc1c(C(=O)N(C)C[C@H]2COc3ccccc3O2)oc2ccc(Cl)cc12 32738135 DABDBOZVYXDLAD-AWEZNQCLSA-N 371.820 4.307 0 40 FIAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)s1 32983640 SEUGMMWRBUVSGD-CYBMUJFWSA-N 357.504 4.389 0 40 FIAB CC(=O)c1cccc(NC(=O)Cn2ccc3ccc(Br)cc32)c1 36357580 JSQMTILAIHGSMU-UHFFFAOYSA-N 371.234 4.245 0 40 FIAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)NC2CC2)c1 40069357 WNQYVBUDDZQIRP-GFCCVEGCSA-N 373.840 4.030 0 40 FIAB Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1 45890221 NWLSCMCOFBALBG-UHFFFAOYSA-N 361.854 4.166 0 40 FIAB Cc1nn(C)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)SCC(O)=N2 49545879 OQFZVCPZFSMMNE-GOSISDBHSA-N 357.479 4.474 0 40 FIAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 51329952 QCNFXBFFQZTQHX-SFHVURJKSA-N 367.518 4.494 0 40 FIAB Cc1ccccc1-c1noc(CSCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n1 58064245 QWKFMGZUXNRPOF-QRTARXTBSA-N 373.522 4.219 0 40 FIAB Cc1cccc(OCc2nnc(SCc3nc4ccccc4n3C)o2)c1 58225069 HGSUEMANZWUBHL-UHFFFAOYSA-N 366.446 4.136 0 40 FIAB O=C(Nc1sccc1C(=O)NC1CC1)c1cc2ccccc2c(Cl)n1 58702064 VHVSPOYRQDTBAW-UHFFFAOYSA-N 371.849 4.094 0 40 FIAB COCc1nc(C(=O)N2CCC(c3cccc4ccccc34)CC2)cs1 58725805 UMRCSOFMBHLIJW-UHFFFAOYSA-N 366.486 4.463 0 40 FIAB CCN(CC)[C@H](CNC(=O)Nc1ccccc1Br)CC(C)C 58823435 NXDFTCHCPLYDBL-AWEZNQCLSA-N 370.335 4.327 0 40 FIAB COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2C(C)C)cc1 60802557 ACFMQNZEFSOBOS-UGKGYDQZSA-N 369.505 4.395 0 40 FIAB FC(F)Oc1ccc2c(c1)CCCN2C(=S)NCc1cccs1 63672165 JWVOYFCNDNMMFU-UHFFFAOYSA-N 354.447 4.177 0 40 FIAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Oc1ccc2sc(=O)oc2c1 71405114 OVBJICJBQVKTQE-QPJJXVBHSA-N 366.316 4.492 0 40 FIAB Cc1cc(C)nc(N2CCC[C@H]2c2ccc(Nc3ccc(F)cn3)cn2)n1 72353075 HOTJHAUVJIHAIU-SFHVURJKSA-N 364.428 4.108 0 40 FIAB Cc1noc(C)c1CCNc1ncc(-c2ccco2)c(-c2ccco2)n1 72396886 OLAMZHQFOAUPFE-UHFFFAOYSA-N 350.378 4.256 0 40 FIAB O=C(NCC[C@@H](O)c1cccc2ccccc12)c1ccc(F)cc1Cl 77116781 PDEFAIINMQHKRW-LJQANCHMSA-N 357.812 4.486 0 40 FIAB Cc1cc(CSc2nnc3n(C)c4ccccc4n23)c2ccccc2n1 80306218 INGQFJAGEVZYJU-UHFFFAOYSA-N 359.458 4.370 0 40 FIAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 80332685 ICWMCNOEYYKCHE-QRWLVFNGSA-N 374.481 4.025 0 40 FIAB Cc1ccc(CN2[C@H]3CCC[C@H]2CC(NC(=O)c2ccccc2F)C3)cc1 100425194 SRDMJVXGCDKPDF-PMACEKPBSA-N 366.480 4.450 0 40 FIAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1scnc1-c1ccccc1 102725775 VUOWRXSPXKYSEU-OAHLLOKOSA-N 350.399 4.050 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc2c(c1)CCCC2 223144712 SFGCSFOCZMPVHT-FQEVSTJZSA-N 361.482 4.443 0 40 FIAB CCOc1ccc(C(=O)NCc2ccc(OCC)c(OCC)c2)cc1C 223362157 HJTSWAYZAZEMTH-UHFFFAOYSA-N 357.450 4.121 0 40 FIAB Cc1ccc(OCCNC(=O)c2ccccc2Br)cc1Cl 224122735 CHSXDVYYMHJOFB-UHFFFAOYSA-N 368.658 4.220 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1 224412137 BYZTXUFGFACLHB-JTSKRJEESA-N 367.489 4.307 0 40 FIAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SC)s1 224436034 WXZLHTUKJZBRTI-SNVBAGLBSA-N 359.929 4.423 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1cccc(OC)c1 224584488 JBCATNNBQDFYTE-OAHLLOKOSA-N 357.450 4.201 0 40 FIAB Cc1ccc(NC(=S)NCc2ccccc2Cl)cc1N1CCCC1=O 225372662 XYDSRLZOTGGKMT-UHFFFAOYSA-N 373.909 4.262 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccccc2)c1C 225385304 XSCRLHFXCXQIFM-UHFFFAOYSA-N 356.491 4.091 0 40 FIAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(Br)cc1 226261085 QAKIPVYLNROLDJ-UHFFFAOYSA-N 362.271 4.130 0 40 FIAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(CCc2ccccc2)C1 257233102 GNVGZLNJGSOSCE-KRWDZBQOSA-N 364.514 4.293 0 40 FIAB Cc1c(NC(=O)N[C@@H]2CCCC23CCOCC3)cccc1-c1ncco1 562892800 ZSIOUQPNOBCKAQ-QGZVFWFLSA-N 355.438 4.121 0 40 FIAB O=C(Nc1nc(Sc2ccccc2)ns1)N1CCC[C@H]1C1CCC1 573764857 JWEUCDHARPTXSD-AWEZNQCLSA-N 360.508 4.486 0 40 FIAB C[C@@H](NC(=O)Nc1nc(C2CCC2)cs1)c1ccc2c(c1)CCC(=O)N2 574263667 CYOKXBKZMXVBBM-LLVKDONJSA-N 370.478 4.178 0 40 FIAB O=C(NC[C@H](c1cccs1)n1cccn1)c1cc2ccccc2s1 575612475 ALCGXEHAJYKZTB-CQSZACIVSA-N 353.472 4.179 0 40 FIAB CCc1nc(CNC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cs1 579562633 BWXBTKSAJOTNIX-INIZCTEOSA-N 369.494 4.019 0 40 FIAB CO[C@@H](C)c1cccc(NC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1 585100282 ONYRLOSCTAZOCQ-QSFXBCCZSA-N 354.450 4.088 0 40 FIAB COc1cccc(-c2cccc([C@H]3C[C@@H](NC(C)=O)[C@@H]4CCC[C@H]4O3)c2)c1 585261190 ZQIQFQUAFYMAPR-WBADGQHESA-N 365.473 4.497 0 40 FIAB CCOc1ccc(C(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)cc1 669637389 MWDLSBAPZQGRMJ-MRXNPFEDSA-N 373.499 4.339 0 40 FIAB Cc1noc2ncnc(N[C@@H](COCc3ccccc3)c3ccccc3)c12 669653065 DAMUEIWKQQDHFW-SFHVURJKSA-N 360.417 4.296 0 40 FIAB Oc1ccc([C@@H]2CCCN2Cc2nc(-c3ccc(F)c(F)c3)no2)cc1 676037961 LPKPMLVQWFOREM-KRWDZBQOSA-N 357.360 4.058 0 40 FIAB Cc1ncc(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)s1 676989372 WHYMIOVDRTYGNH-UHFFFAOYSA-N 363.527 4.035 0 40 FIAB c1ccc(CN2CCC[C@H](c3ccnc(Nc4nccs4)n3)C2)cc1 2037834698 DPBLOLHNKSVBDH-INIZCTEOSA-N 351.479 4.056 0 40 FIAB CCOc1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)cc1 1369236 JCSMQIDIYGKAQF-SEJPIABJSA-N 364.489 4.011 0 40 FIAB COc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 1370427 MRBKHRPSGCPYCM-SEJPIABJSA-N 364.489 4.011 0 40 FIAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\C=C\c1ccccc1 1507831 RLOBBVDTWSPYHV-QSJINSDNSA-N 354.203 4.350 0 40 FIAB COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2c1 2403280 ZILBUEHCEJYIFB-UHFFFAOYSA-N 362.473 4.314 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(Cl)cc1 4305077 WZXNYPVRDQFYDT-IBGZPJMESA-N 366.848 4.467 0 40 FIAB Cc1cc(C)n2nc(SCc3csc(-c4ccccc4)n3)nc2n1 4523475 QXHZVKACNVNEEU-UHFFFAOYSA-N 353.476 4.157 0 40 FIAB O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)C1CCCCC1 4661135 FFMPRZQCEHLIFH-UHFFFAOYSA-N 369.509 4.042 0 40 FIAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@]5(C(C)=O)O[C@H]5[C@@]4(C)CC[C@H]32)C1 4731243 GWZAVXCYXHGFFE-UJRFXFPWSA-N 372.505 4.217 0 40 FIAB COC(=O)[C@H](Oc1cc2oc(=O)cc(C)c2cc1Cl)c1ccccc1 4747497 XOBIBUWVFPBDIF-GOSISDBHSA-N 358.777 4.048 0 40 FIAB CCCCN(CCCC)C[C@H](O)COC(=O)Nc1cccc(Cl)c1 4803249 SIHWPWSSOYTRBD-KRWDZBQOSA-N 356.894 4.152 0 40 FIAB O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCc2ccccc21 4965997 JHJPNODDHFYSBH-UHFFFAOYSA-N 360.196 4.303 0 40 FIAB Cc1ccccc1-c1ccc(=O)n(Cc2ccc(Br)cc2)n1 5409814 SPOIOZQOAPNUAK-UHFFFAOYSA-N 355.235 4.030 0 40 FIAB Cc1ccc(CSc2nc3c(c(SCC(=O)O)n2)CCCC3)cc1 5541259 RHUICIKUFJGMKU-UHFFFAOYSA-N 360.504 4.133 0 40 FIAB COc1cc(C(=O)Nc2ccccc2Cl)cc(Br)c1OC 6170006 ZPZUEHJRTAOYQV-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB O=C(CCCSc1ccccc1)Nc1ccccc1N1CCOCC1 6257997 GHVSOSQFPZUASL-UHFFFAOYSA-N 356.491 4.034 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 6586386 JLGOZZPAEZVDPG-IAGOWNOFSA-N 367.445 4.425 0 40 FIAB C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 6587731 YDNOWTUPSNIEFG-QFBILLFUSA-N 365.477 4.046 0 40 FIAB CC(C)OCc1c(C(=O)OCC(=O)c2ccccc2)oc2ccccc12 6598678 RBOWQTCNQZZQNJ-UHFFFAOYSA-N 352.386 4.398 0 40 FIAB CCCn1nnnc1NCc1c(OCc2ccccc2)ccc2ccccc12 6757583 CWIDRODTYPACGS-UHFFFAOYSA-N 373.460 4.427 0 40 FIAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1 6788552 ZGGJUOVYQBZEIE-UHFFFAOYSA-N 368.458 4.389 0 40 FIAB Brc1ccc(/C=C/c2nnc3c4ccccc4ncn23)cc1 6841377 JTCPJJGKDQWAOX-JXMROGBWSA-N 351.207 4.210 0 40 FIAB CNC(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 7124078 SPBIVWNISAJGMJ-UHFFFAOYSA-N 357.866 4.031 0 40 FIAB CN(C)S(=O)(=O)c1cccc(CSc2ccc3ccccc3c2)c1 7785658 ZJAVYYKXIFCRJP-UHFFFAOYSA-N 357.500 4.382 0 40 FIAB COc1ccc(-c2nnc(SCCC(C)=O)n2-c2ccc(C)cc2)cc1 8401450 GJRDNMIQEFLOSS-UHFFFAOYSA-N 367.474 4.323 0 40 FIAB CN(C)[C@H](CNc1nc(C(F)(F)F)nc2ccccc12)Cc1ccccc1 8726420 CFWXDBJCHDYMMO-HNNXBMFYSA-N 374.410 4.233 0 40 FIAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)C12CC3CC(CC(C3)C1)C2 9112932 RHIKQFSLQOSAQK-JSFDKUKPSA-N 371.506 4.341 0 40 FIAB CN(Cc1ccccc1F)C(=O)c1c[nH]c2ccc(Br)cc12 9252925 RYGXIUNOXMOEHN-UHFFFAOYSA-N 361.214 4.342 0 40 FIAB Cc1nc(N2CCc3ccccc32)nc2c1C(=O)C[C@H](c1ccccc1O)C2 9264502 KNIHNXFVWVCXHZ-MRXNPFEDSA-N 371.440 4.098 0 40 FIAB Cc1c(C(=O)N[C@H](c2ccccc2F)c2nccn2C)oc2ccccc12 9338294 VGGNYGFQANPEPX-GOSISDBHSA-N 363.392 4.133 0 40 FIAB Cc1ccc(NC(=O)CSc2nncn2-c2ccc(C)c(C)c2)c(C)c1 10641834 QFNHNMHXWKFCFR-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(Cl)ccc1Cl 10820668 JFFAKSIYGOYDHI-UHFFFAOYSA-N 360.244 4.152 0 40 FIAB O=C(O)COc1ccc(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)cc1 12228145 DOKGDVYLTXZFGH-OAQYLSRUSA-N 365.473 4.310 0 40 FIAB O=C(COc1ccccc1F)OCc1cc(-c2ccc(Cl)cc2)on1 12236691 HCTQDQWXMABVFI-UHFFFAOYSA-N 361.756 4.256 0 40 FIAB CCc1c(-c2ccc(OC)c(OC)c2)n[nH]c1-c1ccc(OC)c(OC)c1 12357679 KHZWGABSBLNHAT-UHFFFAOYSA-N 368.433 4.341 0 40 FIAB COCCn1c(SCC(=O)c2ccc(Cl)s2)nc2ccccc21 12540505 OQWXMRAIQNCCND-UHFFFAOYSA-N 366.895 4.373 0 40 FIAB O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc(F)cc1Br 12773011 ZGZBYSHZMIBJRY-ZYHUDNBSSA-N 368.168 4.439 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)Nc3cc(F)cc(F)c3)c(=O)oc2c1 12773278 WZDNDNJRKZCGKY-UHFFFAOYSA-N 357.356 4.259 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2sc3nc(C)nc(C)c3c2C)cc1F 12892320 OGPRRZFSQYRCTP-JTQLQIEISA-N 373.453 4.255 0 40 FIAB O=C(CCCNC(=O)c1ccsc1)Nc1cc(Cl)cc(Cl)c1 12906084 TUOVXKJLQIAQQD-UHFFFAOYSA-N 357.262 4.204 0 40 FIAB COc1ccccc1[C@@H](C)NC(=O)c1csc(-c2ccc(F)cc2)n1 12998843 RHHGWIFEHNQDPQ-GFCCVEGCSA-N 356.422 4.449 0 40 FIAB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2Br)NC1=S 13547043 UWIDKARBHFZBFX-UVTDQMKNSA-N 373.275 4.020 0 40 FIAB c1ccc(-n2nnnc2Oc2cccc(CNC3CCCCCC3)c2)cc1 13717684 NTSCBPRZHIBADT-UHFFFAOYSA-N 363.465 4.267 0 40 FIAB COc1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 15838604 TUOIXPDVIYQIAS-UHFFFAOYSA-N 372.218 4.386 0 40 FIAB CC(=O)c1ccc(OC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 16468304 LBFRBYPLFYTQGE-UHFFFAOYSA-N 354.793 4.007 0 40 FIAB C[C@@H]1CCCC[C@@H]1N1CCN(Cc2cccc(Br)c2)CC1 19370442 BMOAYKAROHLNIS-QAPCUYQASA-N 351.332 4.145 0 40 FIAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1cccc(Br)c1 20025505 OGLMDTFASIBEGB-AWEZNQCLSA-N 362.267 4.322 0 40 FIAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(-c2cccc(Cl)c2)o1 20140214 XBJUAYDEOSUWBI-UHFFFAOYSA-N 357.749 4.256 0 40 FIAB O=C(OCc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21 20854559 ZWBKHONPFCCCCZ-WOJBJXKFSA-N 363.457 4.126 0 40 FIAB O=C(Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)s1)c1ccco1 23679339 YSIDZHDEDQUNPX-UHFFFAOYSA-N 370.474 4.292 0 40 FIAB Cc1nc(-c2cccc(NC(=O)c3cccnc3N3CCCC3)c2)cs1 23873244 HFSJVDMCMMSCTH-UHFFFAOYSA-N 364.474 4.366 0 40 FIAB CC(C)Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 24602363 PQDXUDQEEVFMNX-UHFFFAOYSA-N 368.506 4.011 0 40 FIAB CN(C)C(=O)c1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 26131041 LOEZDJINMZCYOX-UHFFFAOYSA-N 372.468 4.426 0 40 FIAB O=C(NCCOC(=O)Nc1ccccc1)Nc1ccc(Cl)c(Cl)c1 30836387 USFRNTHWIXOASX-UHFFFAOYSA-N 368.220 4.364 0 40 FIAB biogenic COC(=O)c1ccc(NC(=O)Cc2ccc(-c3csc(C)n3)cc2)s1 31892768 CRCYDPGMHYCXDH-UHFFFAOYSA-N 372.471 4.148 0 40 FIAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC)cc2)cc1OC 32115484 XKTUEKYHSBMTQJ-UHFFFAOYSA-N 370.449 4.475 0 40 FIAB Cc1csc2nc(CN(C)[C@@H](C)c3cc4ccccc4o3)cc(=O)n12 32754482 IEBLSPSUYJJGNX-ZDUSSCGKSA-N 353.447 4.004 0 40 FIAB CCc1ccc2[nH]c3nc(SCc4nc5ccccc5[nH]4)nnc3c2c1 35312714 OBIRRQGWKGIDQJ-UHFFFAOYSA-N 360.446 4.237 0 40 FIAB C[C@@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)c2ccccc21 41968539 QSPDYKNCXYNFKQ-GFCCVEGCSA-N 350.340 4.177 0 40 FIAB COc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)cc1 46898468 JAEOWEZWNFGKFK-UHFFFAOYSA-N 361.445 4.402 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OC 57368996 YDIJABJIUNRKGT-UHFFFAOYSA-N 360.841 4.083 0 40 FIAB COc1ccccc1N(C)C(=O)c1sc(NC(=O)c2ccco2)cc1C 58365697 GBYHFLYWIPLZQE-UHFFFAOYSA-N 370.430 4.187 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 58421702 DMZOSBFZVQCUEW-NSHDSACASA-N 374.491 4.268 0 40 FIAB COc1ccc(NC(=O)c2cc(C(C)C)nc3c2c(C)nn3C)cc1Cl 61721424 RPTDDNLHZPMNPD-UHFFFAOYSA-N 372.856 4.314 0 40 FIAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(I)cc1 70136698 IIBIONSPITUXOT-UHFFFAOYSA-N 359.251 4.236 0 40 FIAB O=C1N=C(Nc2ccc(F)cc2)/C(=C/c2cccc3nccnc23)S1 71284669 GDWSPMWNZPWEKE-GDNBJRDFSA-N 350.378 4.487 0 40 FIAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C=O 72215285 DPJDDCGWBXSBQY-WBVHZDCISA-N 361.486 4.305 0 40 FIAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc3[nH]ccc3c2)cc1 72221771 HCKRGJQYJPKUCU-FQEVSTJZSA-N 354.475 4.392 0 40 FIAB CCc1nc(C)c([C@@H](C)OC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)s1 72294341 NVMQPCVMMCKELE-RHSMWYFYSA-N 374.506 4.194 0 40 FIAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccccc3)C2)cc1 72345891 DYPTUQCNANBWDK-IBGZPJMESA-N 374.488 4.114 0 40 FIAB C=CC(=O)Nc1cc(NC(=O)CCC(=O)c2cc(C)sc2C)ccc1F 79050802 REFSUYGYCWJADI-UHFFFAOYSA-N 374.437 4.230 0 40 FIAB Cc1c(C(=O)N(C)Cc2ccccn2)oc2ccc(Br)cc12 84067733 PICJSEHZVIVGGG-UHFFFAOYSA-N 359.223 4.171 0 40 FIAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(Cc1ccco1)c1ccccc1F 84678364 AVJYSVBYARMUFI-JLTOFOAXSA-N 367.376 4.180 0 40 FIAB c1ccc(-c2ccc3nc(C4CCN(Cc5ccoc5)CC4)nn3c2)cc1 96038169 SYPGAOIGLPSKHF-UHFFFAOYSA-N 358.445 4.369 0 40 FIAB Cc1noc(C)c1CN1CCC2(CCCN2Cc2cccc(F)c2)CC1 96159397 LSESEPRCJAZCCY-UHFFFAOYSA-N 357.473 4.061 0 40 FIAB CCOc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1c(OCC)cccc12 101353129 NRPAPZBMUHKMIW-YCRPNKLZSA-N 368.433 4.254 0 40 FIAB Nc1[nH]n(-c2ccccc2)c(=O)c1C1c2ccccc2Sc2ccccc21 104235809 YYSCTOYGWHJSCE-UHFFFAOYSA-N 371.465 4.393 0 40 FIAB C[C@H](NC(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@H]1C[C@H]2CC[C@H]1C2 107333301 ONYWBJNOKGLNNU-BPQOCRPUSA-N 369.509 4.049 0 40 FIAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cn3ccccc3n2)o1 173621200 JWWISFHBAOWWIU-MAUKXSAKSA-N 351.450 4.032 0 40 FIAB COc1cccc(CCCNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 218922232 XFCNXOTVDMDJLS-UHFFFAOYSA-N 361.869 4.093 0 40 FIAB COC(=O)c1cn(C(=O)CSCc2ccc(OC)cc2)c2ccccc12 222571979 LPCPZRZVXPCDLC-UHFFFAOYSA-N 369.442 4.010 0 40 FIAB CCOc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)cc1 222582859 QGLDOARWHJDGKT-UHFFFAOYSA-N 351.381 4.242 0 40 FIAB Cc1nc(-c2nnsc2C(=O)OCc2c(Cl)cccc2Cl)co1 223861249 TVUSPPDNEMWFOM-UHFFFAOYSA-N 370.217 4.165 0 40 FIAB C[C@H](NC(=S)Nc1ccc(N2CCC[C@@H](C)C2)nc1)c1ccccc1 223957617 DVQZASQDGQOQFF-CVEARBPZSA-N 354.523 4.366 0 40 FIAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1cccc(C)c1 224113955 UFPNJNMNJDEMNK-UHFFFAOYSA-N 353.462 4.455 0 40 FIAB Cc1cc(NC(=S)N[C@H](C)c2ccccc2)ccc1N1CCCC1=O 225281629 XWTVYPFIJCANRJ-OAHLLOKOSA-N 353.491 4.169 0 40 FIAB CCc1ccc(CC(=O)Nc2ccc(I)cc2)cc1 225592643 LETNBAGISXDEQT-UHFFFAOYSA-N 365.214 4.035 0 40 FIAB O=C(Nc1cccc2nsnc12)c1ccc(Oc2nccs2)cc1 225637004 KVZUSTUZIGDUQR-UHFFFAOYSA-N 354.416 4.192 0 40 FIAB Cc1cc(N(C)C(=O)C(F)(F)F)ccc1-c1cc2ccccc2oc1=O 226280867 SCUIJGYSSZFROP-UHFFFAOYSA-N 361.319 4.294 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1F 408693021 BHZSEFAAQZXSJG-UHFFFAOYSA-N 373.405 4.427 0 40 FIAB CCOc1ccccc1/C=C1\S[C@H](Nc2ccc(CC)cc2)NC1=O 408767075 INACTLRIQITIAW-MTGKDYNDSA-N 354.475 4.247 0 40 FIAB O=Cc1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409092258 URZFJQOQNLUHBX-UHFFFAOYSA-N 365.621 4.227 0 40 FIAB CN(C(=O)c1ccccc1)c1ccc(CNC(=O)c2ccc(F)cc2)cc1 514269321 NOYAZAXQKVGNTE-UHFFFAOYSA-N 362.404 4.032 0 40 FIAB O=c1oc2ccccc2c(O)c1-c1nc(O)[nH]c1-c1cc2ccccc2o1 524731970 REAFPGBSSIRNSU-UHFFFAOYSA-N 360.325 4.008 0 40 FIAB biogenic C[C@H](Cc1ccccc1)C(=O)N1CCc2ccc(Br)cc2C1 553997000 PWXCZBXNNUTPSS-CQSZACIVSA-N 358.279 4.213 0 40 FIAB O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccnc(C2CC2)n1 562483851 VKYKLCWODXTUQC-CTYIDZIISA-N 361.367 4.049 0 40 FIAB Cc1c(NC(=O)C[C@H]2C[C@H]2C)cccc1C(=O)N1CCc2sccc2C1 577904641 OCBYOSJYSQKPAX-CZUORRHYSA-N 368.502 4.240 0 40 FIAB COc1ccc(-c2cc(C(=O)NCCc3cccc4ccccc34)no2)cc1 585152376 WADDKAGZLBJCBH-UHFFFAOYSA-N 372.424 4.476 0 40 FIAB CC(C)Cc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)O 585266720 NHCMEJQOZWJALP-KRWDZBQOSA-N 359.857 4.368 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1ccc(-c2ccsc2)cc1 1775966499 HWEHHUMRDDVRHJ-IBGZPJMESA-N 371.889 4.461 0 40 FIAB COc1ccc(CNC(=O)N2CCCC[C@H]2CSC(C)(C)C)cc1 1775966782 YSPMBOPLHBHFMT-INIZCTEOSA-N 350.528 4.291 0 40 FIAB COc1ccc(C)cc1NC(=O)CSc1ncnc2sc(C)c(C)c12 783340 ZKSOKKCOBWQECG-UHFFFAOYSA-N 373.503 4.356 0 40 FIAB Cc1cccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCC2=O)c1 1057415 MSNGCNJULSLVCM-KRWDZBQOSA-N 363.244 4.214 0 40 FIAB CSc1ccc(-c2cc(N[C@@H](Cc3ccccc3)C(=O)O)on2)cc1 1096016 IPVDCXFBZTXRAF-KRWDZBQOSA-N 354.431 4.171 0 40 FIAB Fc1cccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c1 2441901 WZDHAFIXLHRJAX-UHFFFAOYSA-N 363.421 4.156 0 40 FIAB FC(F)Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 2786815 PVXPEMBTNZJSOT-UHFFFAOYSA-N 358.373 4.096 0 40 FIAB O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(Br)cc1 2813594 WAUPEDVKLSHMBA-UHFFFAOYSA-N 363.232 4.370 0 40 FIAB COc1ccc(C(=O)CSc2nc(-c3ccc(OC)cc3)ns2)cc1 3007403 WWNRPVQBWCJZFA-UHFFFAOYSA-N 372.471 4.197 0 40 FIAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O 4704847 UBVZTUHHFAOWIJ-LVLBFHFTSA-N 356.447 4.321 0 40 FIAB CCCCN1C(=O)[C@](O)(CC(=O)c2cc(C)c(C)cc2C)c2ccccc21 4724200 XAGDTOUOTIVPHS-QHCPKHFHSA-N 365.473 4.219 0 40 FIAB CC(C)Oc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 5060221 ZKBARWDVJHNSNT-UHFFFAOYSA-N 360.413 4.226 0 40 FIAB Cc1nn(C)c(C)c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 5467698 UYEWUFGOTMGLTJ-UHFFFAOYSA-N 362.644 4.015 0 40 FIAB CCc1c(C)sc(NC(=O)[C@@H](CC)Oc2ccccc2)c1C(=O)OC 5477171 KVXQRXUJXICZFV-OAHLLOKOSA-N 361.463 4.202 0 40 FIAB CCc1ccc(C(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 6087220 BTIPYSOULYTGJZ-UHFFFAOYSA-N 361.228 4.149 0 40 FIAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1Cl 6285584 SWWIFRFWDDVJIM-MRVPVSSYSA-N 358.747 4.205 0 40 FIAB O=C(NCCc1ccccn1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 6509286 ZKPMRIPVHKIRKV-UHFFFAOYSA-N 360.335 4.333 0 40 FIAB CCOC(=O)c1cccc(NC(=S)Nc2cc(Cl)ccc2OC)c1 6630678 AUQZLLHCROZVKO-UHFFFAOYSA-N 364.854 4.334 0 40 FIAB COc1cc(C(=O)Nc2ccc(C)cc2C)cc(OC)c1Br 7070286 KQKNRVNMUKHURV-UHFFFAOYSA-N 364.239 4.335 0 40 FIAB Cc1nnc(CSc2nnc(Nc3ccccc3C(F)(F)F)s2)o1 7309927 HCHBGCZODDENSA-UHFFFAOYSA-N 373.385 4.284 0 40 FIAB COc1ccccc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 7406621 MIRJYNBKTQVHKT-UHFFFAOYSA-N 367.430 4.029 0 40 FIAB CCOc1ccccc1OCC(=O)Nc1nc2ccc(Cl)cc2s1 7486058 YNKLHOSNDGVJKH-UHFFFAOYSA-N 362.838 4.366 0 40 FIAB Cc1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)c(Br)c1 7545367 SCHFNRBEODBRGF-KRWDZBQOSA-N 360.251 4.156 0 40 FIAB COc1cc2ccccc2cc1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 7717280 TWTPMWYRUPGEBW-UHFFFAOYSA-N 363.369 4.032 0 40 FIAB COc1ccc(OCC(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)cc1 8270412 HRRKIZXNYPGJLH-NRFANRHFSA-N 369.461 4.227 0 40 FIAB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc2c(c1)CCC2 8390888 UREIRQSTJJONDO-UHFFFAOYSA-N 374.469 4.287 0 40 FIAB O=C(Nc1ccnn1Cc1ccccn1)c1cccc(Oc2ccccc2)c1 9157428 KLOKRKMVPBMHPO-UHFFFAOYSA-N 370.412 4.371 0 40 FIAB Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 10888803 XLQAHZJHUQXUQR-XYJFISCASA-N 357.523 4.356 0 40 FIAB FC(F)c1cc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2ccccc2)n[nH]1 12129146 YRJMYAINSIKJCE-DLBZAZTESA-N 354.404 4.126 0 40 FIAB CC(C)OCc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 12543940 LVZVUVSYCNETHM-UHFFFAOYSA-N 372.896 4.227 0 40 FIAB COc1ccc2cc([C@@H](C)C(=O)NCCN(C)c3ccccc3)ccc2c1 12773414 ZFWDABOORYHWCB-QGZVFWFLSA-N 362.473 4.205 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(F)cc3C)c(=O)oc2c1 12781697 RULAARSSXWAJLF-UHFFFAOYSA-N 353.393 4.429 0 40 FIAB CCCSc1nnc(SCC(=O)N[C@@H](C)c2ccccc2C)s1 12918830 OPGCBRLVARIJFU-LBPRGKRZSA-N 367.565 4.318 0 40 FIAB Cc1nc(-c2ccccn2)sc1C(=O)N(C)c1nc2ccccc2s1 12923338 VEKMZOBLRUNZES-UHFFFAOYSA-N 366.471 4.400 0 40 FIAB COc1ccc(-c2cs/c(=N\Cc3cccnc3)n2C(C)(C)C)cc1 13285713 QPMHPHFIQKGQOQ-QOCHGBHMSA-N 353.491 4.476 0 40 FIAB O=S(=O)(NCC1(c2cccs2)CCCC1)c1ccc(F)c(Cl)c1 13804439 LIACXEDLNUDHLO-UHFFFAOYSA-N 373.902 4.331 0 40 FIAB O=C(CSCc1nc2ccccc2s1)N[C@H]1CCOc2ccccc21 14015728 WUXJOWRGAZLJIC-AWEZNQCLSA-N 370.499 4.170 0 40 FIAB Cc1sc2ncnc(Sc3nnc(Cc4ccccc4)o3)c2c1C 14076389 RDUVUMABKGCYCS-UHFFFAOYSA-N 354.460 4.433 0 40 FIAB O=C(Cc1ccc(Cl)cc1)Nc1ccnn1Cc1cccc(Cl)c1 14189735 WNHNAZZFWHHCPB-UHFFFAOYSA-N 360.244 4.419 0 40 FIAB CCc1sc(C(=O)Nc2ccccc2I)cc1C 14429522 ZSOAGMQQVXFOPZ-UHFFFAOYSA-N 371.243 4.476 0 40 FIAB O=S(=O)(c1cc(F)ccc1F)N(Cc1ccccc1)c1ccccc1 17074094 RSWIOIFCKOXAPM-UHFFFAOYSA-N 359.397 4.360 0 40 FIAB Clc1ccccc1CN1CCC(c2nnc(-c3ccncc3)o2)CC1 19348925 XADAJPXQZVGCSC-UHFFFAOYSA-N 354.841 4.165 0 40 FIAB Cc1ccccc1O[C@H](C)C(=O)NCCSCc1cccc(Cl)c1 20046175 NIWCQXQVSXKWSH-OAHLLOKOSA-N 363.910 4.465 0 40 FIAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1)c1ccccc1 20611990 BUBRFXIBQWYJKL-OAHLLOKOSA-N 370.880 4.070 0 40 FIAB COc1ccc(CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1 20744346 GBJVXNVMDFKKAV-UHFFFAOYSA-N 368.864 4.347 0 40 FIAB biogenic CCOc1ccc(C(=O)Nc2nn(C)c3nc4cc(C)ccc4cc23)cc1 21581255 MBMCUFIEOBXYGW-UHFFFAOYSA-N 360.417 4.081 0 40 FIAB Cc1cc(CN(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)no1 25139388 IUNHXHHBCBKMPT-UHFFFAOYSA-N 370.836 4.488 0 40 FIAB CCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 27541573 VHVFZYKNGDQSAX-AWEZNQCLSA-N 369.490 4.154 0 40 FIAB Cc1ccccc1OCC(=O)Nc1cnn(Cc2cccc3ccccc23)c1 28231073 RQFNSVSBGPJSRA-UHFFFAOYSA-N 371.440 4.411 0 40 FIAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1cccs1 29086599 HDGIEZPNFTUEMN-KDOFPFPSSA-N 358.507 4.316 0 40 FIAB CCOC(=O)COc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 32034964 WGOMASHRXAXGQX-UHFFFAOYSA-N 368.216 4.188 0 40 FIAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C)cc1F 36616957 HTCTXRSXRVGOKG-UHFFFAOYSA-N 360.392 4.335 0 40 FIAB Cc1ccc(-c2csc(-c3nnn(-c4cccc(F)c4)c3N)n2)cc1 38652198 BHCWSHSVVHUYNN-UHFFFAOYSA-N 351.410 4.088 0 40 FIAB CC(C)CC[C@@H](C)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 40140248 QSNPKNVPPODNOV-QGZVFWFLSA-N 373.518 4.215 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3sccc3c2)cc1 41219029 DVQLOVMOSICCGO-CYBMUJFWSA-N 368.458 4.116 0 40 FIAB COc1cccc(-n2cc(C(=O)O)c3c2[C@H](c2cccs2)CC(O)=N3)c1 44894068 MCTBOSYDIUBOJA-ZDUSSCGKSA-N 368.414 4.369 0 40 FIAB C[C@@H]1CCN(C(=O)c2csc(-c3ncccn3)n2)c2ccccc2S1 47208493 ZQDONKGDNHWPIC-GFCCVEGCSA-N 368.487 4.131 0 40 FIAB C[C@@H](c1ccco1)N(C(=O)Cc1csc(-c2cccnc2)n1)C1CC1 58192774 NKKLTUDNOKSKCN-ZDUSSCGKSA-N 353.447 4.093 0 40 FIAB O=C(CCCc1ccccc1)Nc1ccccc1NC(=O)N1CCCC1 58203303 KERSWZJVVVTSRO-UHFFFAOYSA-N 351.450 4.276 0 40 FIAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c(C)c1 59227401 GEWJOQXDGKLFHK-HNNXBMFYSA-N 356.853 4.257 0 40 FIAB O=C(Nc1cc(F)c(F)c(F)c1)c1cc(O)c(OCc2ccccc2)cn1 61720736 ZQWUUTFIXGHLGV-UHFFFAOYSA-N 374.318 4.036 0 40 FIAB O=C(NCCC1=CCCCC1)Nc1ccccc1CN1CCSCC1 61789527 WBFHVZIQMOXZTP-UHFFFAOYSA-N 359.539 4.247 0 40 FIAB O=C(NC1(c2nc(C3CC3)no2)CCCCC1)c1cc(Cl)ccc1F 75164161 MYFJNKCHSUNIMV-UHFFFAOYSA-N 363.820 4.329 0 40 FIAB O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H](Nc2ccccc2)C1 80023212 HRIGQAFIBVVHDO-CYBMUJFWSA-N 351.233 4.026 0 40 FIAB COc1cccc(-n2cnc3c2[C@@H](c2ccc(O)cc2)SCC(O)=N3)c1 95476850 HRLJJABMKXJVCY-GOSISDBHSA-N 367.430 4.011 0 40 FIAB O=C(NCc1ccccc1-c1ccsc1)c1cc2ccccc2oc1=O 96122898 ARCRADGEYPYTRP-UHFFFAOYSA-N 361.422 4.452 0 40 FIAB c1ccc(CN2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)cc1 96242545 DMLICHBPXFTEGA-UHFFFAOYSA-N 370.500 4.031 0 40 FIAB CC(=O)OC[C@]12CO[C@H](c3ccc(OC(C)=O)cc3)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C 100745682 RJNYTRPEECCIOJ-OAHYMWEZSA-N 372.461 4.081 0 40 FIAB biogenic Cc1cc(C)c(NC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c(Cl)n1 124603378 IDXOTKXOGLNPML-UHFFFAOYSA-N 369.808 4.194 0 40 FIAB Cc1nc(-c2ccccc2NC(=O)c2ccc3nsnc3c2)cs1 208008009 ATRPLPXTIMXBDH-UHFFFAOYSA-N 352.444 4.376 0 40 FIAB Nc1nnc(/C=C/c2cccc(OCc3ccc(Br)cc3)c2)o1 216905830 DZRTYJBSJPJWNT-RMKNXTFCSA-N 372.222 4.164 0 40 FIAB CCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccccc1OC 219559341 IQLJVNNLJXHZMJ-GOSISDBHSA-N 371.477 4.000 0 40 FIAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC 222576767 UEMQGOJQZBZZSB-MJXNMMHHSA-N 369.490 4.078 0 40 FIAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccc(Cl)cc1 224440132 LQHFXIUZWBPDDN-INIZCTEOSA-N 368.260 4.346 0 40 FIAB Cc1ccc(NC(=O)c2ccc(C)cc2I)c(C)c1 225009289 JNQPEBJXYGJTFF-UHFFFAOYSA-N 365.214 4.469 0 40 FIAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1c(Cl)cccc1Cl 225167137 PNTNRTUFQFMPTC-NSHDSACASA-N 374.289 4.183 0 40 FIAB CC(C)CSc1nnc(NC(=O)c2ccc(OC(C)C)cc2)s1 225532413 YPQIYYCHCTWVDH-UHFFFAOYSA-N 351.497 4.326 0 40 FIAB CCOC(=O)c1cccc(NC(=S)NCCCc2ccc(F)cc2)c1C 225547988 WSTSVMGPNJEOGN-UHFFFAOYSA-N 374.481 4.230 0 40 FIAB C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCCN(CC2CCOCC2)C1 257306367 SUAMYRHYRBTCDJ-JOCHJYFZSA-N 372.484 4.185 0 40 FIAB Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 409096585 KPPZTNHIHGDSKJ-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB CC[C@@H](C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccccc1 575611443 VHFRALLPEAUGIK-IAGOWNOFSA-N 355.459 4.352 0 40 FIAB O=C(c1cc(O)nc2ccccc12)N1CCCC[C@@H]1Cc1ccc(F)cc1 591676850 CUNPFHNNAKUJCN-QGZVFWFLSA-N 364.420 4.317 0 40 FIAB Cc1ccc(NC(=O)C2(CN[C@H]3CCCn4ccnc43)CCCC2)cc1C 655722101 WWNJNYBDZCUXQR-IBGZPJMESA-N 366.509 4.124 0 40 FIAB CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1 684759136 UXDPKMLAHNSVRK-LJQANCHMSA-N 350.466 4.369 0 40 FIAB O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](COc2ccncc2)C1 1775970504 FDYQBEXNHOPPBL-AWEZNQCLSA-N 364.367 4.032 0 40 FIAB O=c1cc(-c2ccccc2)n2c(-c3ccccc3)nn(-c3ccccc3)c2n1 624392 ZSNUIIGENUPSBH-UHFFFAOYSA-N 364.408 4.214 0 40 FIAB CCOc1ccc(-c2cnc(NCc3cccc(OC)c3OC)n2C)cc1 819173 KLJZNKLSHDYXET-UHFFFAOYSA-N 367.449 4.115 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(OC(=O)c3ccccc3)cc2)cc1 879722 WKYZKRYLWRYMMF-UHFFFAOYSA-N 367.426 4.015 0 40 FIAB Nc1c(C(=O)Nc2cccnc2Cl)sc2nc3c(cc12)CCCC3 1439725 ZUEWHFFZRMNAOS-UHFFFAOYSA-N 358.854 4.058 0 40 FIAB Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(Cl)c(Cl)c1)N2 2220028 OLTYJANLPKLDBA-CABCVRRESA-N 360.248 4.313 0 40 FIAB COc1ccccc1CCNc1ncnc2c1[nH]c1ccc(Cl)cc12 2417204 WPDFYTSXKUEHKW-UHFFFAOYSA-N 352.825 4.428 0 40 FIAB O=C(OCC(=O)N1CCCCC1)c1cc(-c2ccccc2)nc2ccccc12 3240953 AXUZVMAQXNVWHM-UHFFFAOYSA-N 374.440 4.071 0 40 FIAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(C)cc(C)c1 4033130 KLQNXTCXXUFIAS-UHFFFAOYSA-N 372.428 4.274 0 40 FIAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1 4678125 ASYUMBPEZZPEJB-UHFFFAOYSA-N 362.429 4.325 0 40 FIAB CC1(C)Cc2c(cnn2-c2ccc(Cl)cc2)-c2nc3ncccc3nc21 4710453 YBVOSJKIZWCIMQ-UHFFFAOYSA-N 361.836 4.365 0 40 FIAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)C(C)(C)C 4871163 NYILLDMBHUSOIG-UHFFFAOYSA-N 353.777 4.215 0 40 FIAB COc1cc(NC(=O)c2ccc(C)cc2)ccc1NC(=O)c1ccco1 5008325 GEHNNAWJPGKEEP-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 5029829 BKHNEPHIMDDBKX-HOYKHHGWSA-N 367.813 4.427 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc2ccccc2c1O 5039311 JMVUBPMGOMFUEG-UHFFFAOYSA-N 359.381 4.375 0 40 FIAB COc1ccc(SCC(=O)Nc2ccc(Br)cc2)cc1 5240482 LJGZECGOPJRXGX-UHFFFAOYSA-N 352.253 4.189 0 40 FIAB COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1CC=C(C)C 5854502 WLPHLDLTTPUDSI-UHFFFAOYSA-N 352.386 4.389 0 40 FIAB endogenous,in-man CCn1c(SCC(=O)Nc2ccccc2OC)nnc1C1CCCCC1 6176627 GXZUKABXUIBZBX-UHFFFAOYSA-N 374.510 4.085 0 40 FIAB CC(=O)Oc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CC[C@H]2OC(C)=O 6614825 QNJIISBPAUAVAF-YADHBBJMSA-N 352.430 4.374 0 40 FIAB CCCn1c([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 6753166 RODFIOVXGYAWOU-INIZCTEOSA-N 363.461 4.366 0 40 FIAB Cc1ccc(NC(=O)[C@@H](Sc2nc(C)cc(N)n2)c2ccccc2)cc1 7048496 VYZWKAAHMFWZKP-SFHVURJKSA-N 364.474 4.148 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(Cl)ccc1F 7825098 HYYPAYUNHKCGPE-UHFFFAOYSA-N 371.843 4.271 0 40 FIAB Cc1cccc(-c2nnc([C@@H](C)Nc3cccc(C(=O)NC4CC4)c3)o2)c1 8341522 FXOGZPFFQBASQB-CQSZACIVSA-N 362.433 4.110 0 40 FIAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1cccc(C)c1 8394697 WODSZWKAEGFRNG-UHFFFAOYSA-N 374.440 4.186 0 40 FIAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 8869565 SOALHJPDOCSKCK-FQEVSTJZSA-N 373.880 4.235 0 40 FIAB Cc1ccc(-c2nn(CCc3ccccc3)c(=O)c3nc(C)sc23)cc1 8955173 XXSCVIYLDWGCDB-UHFFFAOYSA-N 361.470 4.380 0 40 FIAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1c1ccc2c(c1)OCO2 9368425 RWUZEYYPAUAYIQ-GOSISDBHSA-N 350.399 4.248 0 40 FIAB Cc1nc(-c2cccc(NC(=O)C[C@H]3OC(=O)c4ccccc43)c2)cs1 9460209 XNURNYQATGYDHK-GOSISDBHSA-N 364.426 4.359 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2SC(F)F)c1 9645078 VQUKTXCZMWZSNK-UHFFFAOYSA-N 351.374 4.349 0 40 FIAB COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cccc(O)c3)C[C@H]21 10216049 BIVJBBJTYUCXAR-DENIHFKCSA-N 373.412 4.038 0 40 FIAB CC[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(Br)cc1 10402468 XKLRETBBIFZIGX-CQSZACIVSA-N 373.254 4.203 0 40 FIAB COc1cc(OC)c(NC(=O)COc2ccc(F)c(Cl)c2)cc1Cl 10788960 GAEFEBQCZCNBRS-UHFFFAOYSA-N 374.195 4.167 0 40 FIAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 12137518 JOCDGTGNIBEJHU-FQEVSTJZSA-N 366.461 4.027 0 40 FIAB CN(Cc1ccccc1)C(=O)CCn1c(-c2cccnc2)cc2cccnc21 12222444 SCZOIWPWZAHIAN-UHFFFAOYSA-N 370.456 4.147 0 40 FIAB Cc1ccc(CN(C)Cn2nc(C)n(-c3ccc(C)cc3)c2=S)cc1 12516811 SACWLDSALFVLMR-UHFFFAOYSA-N 352.507 4.418 0 40 FIAB CCn1nc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1C 13703375 AAMOYFJOEANFPQ-UHFFFAOYSA-N 352.419 4.333 0 40 FIAB COc1cccc(CNC(=O)N[C@H](C)c2ccccc2Br)c1 17069977 ICZDNETXKAIYEL-GFCCVEGCSA-N 363.255 4.018 0 40 FIAB Cc1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1Cl 17743677 ZVXAAXOYWXFDIK-UHFFFAOYSA-N 354.841 4.498 0 40 FIAB COc1ccc(CN2C[C@@H]3C[C@@H](c4cccs4)N4CCC[C@@]34C2)cc1 19554857 POZRIAYNGJCFQS-HFSMHLIXSA-N 354.519 4.168 0 40 FIAB CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C1CC1)c1c(C)nn(CC)c1C 19663064 SZAVNETXVKGCFS-QGZVFWFLSA-N 365.481 4.086 0 40 FIAB Cc1cc(C)n([C@H](C)Cn2cncc2-c2cnc(N3CCCCC3)s2)n1 19719447 PZAYBAWMFDCEJO-MRXNPFEDSA-N 370.526 4.071 0 40 FIAB Cc1ccccc1N1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC1=O 21347200 UQRLKRRWWKKJOH-LBPRGKRZSA-N 363.244 4.293 0 40 FIAB O=C(c1cccs1)N1CCC(C(=O)N2CCC[C@H]2c2cccs2)CC1 22131789 SGIGDDWLXVLECQ-HNNXBMFYSA-N 374.531 4.026 0 40 FIAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc(C)cs1 22828326 BBXSDZUILVQSTL-UHFFFAOYSA-N 362.505 4.253 0 40 FIAB CC(=O)Nc1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1C 23002967 XFIKCOFBILZZKV-UHFFFAOYSA-N 357.460 4.391 0 40 FIAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1 25425765 QISXNNUYMNLBCF-LLVKDONJSA-N 368.462 4.002 0 40 FIAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N2CCCCCC2)cc1 27744240 AOXPIRXPUNQORD-JOCHJYFZSA-N 366.505 4.107 0 40 FIAB CCOc1cccc(NCCCN2C(=O)c3cccc4cccc(c34)C2=O)c1 28047861 OVIWYVRUNWKMAJ-UHFFFAOYSA-N 374.440 4.337 0 40 FIAB CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1OC(F)F 29065574 MLFLWOSFGOFDOR-UHFFFAOYSA-N 362.420 4.060 0 40 FIAB CC(C)n1ncc2cc(C(=O)OCc3cc(-c4cccs4)on3)cnc21 32866032 ZKUPUNXHUHGFGC-UHFFFAOYSA-N 368.418 4.086 0 40 FIAB CC(C)(C)c1ccc(OCCSc2nnc(-c3cccs3)n2N)cc1 32911206 SSDLTMQIILNRQT-UHFFFAOYSA-N 374.535 4.189 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2nc3ccccc3s2)c1C 36386282 JPQOJPCFCMBDIW-ZDUSSCGKSA-N 369.490 4.147 0 40 FIAB Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1F 40081837 PSWFXGIOQJUKHE-FQEVSTJZSA-N 363.436 4.186 0 40 FIAB CC(C)(C(=O)NCCc1cccs1)c1ccc(Br)cc1 40107237 IFAIFWDHNHRZSL-UHFFFAOYSA-N 352.297 4.147 0 40 FIAB Cn1c(C(=O)N2CCSCC2)cc2oc(-c3ccccc3Cl)cc21 40288018 BIAZGOQDWDZVGG-UHFFFAOYSA-N 360.866 4.281 0 40 FIAB CC(C)[C@@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 42340569 NPVOLPQSGGFECB-CXAGYDPISA-N 350.915 4.393 0 40 FIAB Cc1cc2ncn(C[C@H](O)COc3cc(Cl)ccc3Cl)c2cc1C 45458242 LYDDMFUURSLWAD-AWEZNQCLSA-N 365.260 4.400 0 40 FIAB FC(F)(F)c1cccc(NC(=S)NCCCN2CCCCCC2)c1 61247053 XTOPISZHBBDTLS-UHFFFAOYSA-N 359.461 4.258 0 40 FIAB O=C(CCn1ccc2ccc(F)cc21)Nc1nc(-c2cccnc2)cs1 71284005 XIMCHVKSWXCNJR-UHFFFAOYSA-N 366.421 4.328 0 40 FIAB O=C(Nc1cccc(-c2nc[nH]n2)c1)C1(c2ccc(F)cc2)CCCC1 95959634 SNBAHGCBTPJHPK-UHFFFAOYSA-N 350.397 4.061 0 40 FIAB CCCc1c(NC(=O)Cc2ccc(F)c(F)c2)cnn1-c1ccccc1 96008922 YYIGUUWREFLSRF-UHFFFAOYSA-N 355.388 4.284 0 40 FIAB CCc1nc2ccccc2n1Cc1nc2scc(CC(C)C)c2c(=O)[nH]1 97164488 RZJQIDKFZIKIHU-UHFFFAOYSA-N 366.490 4.144 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(OC(C)C)c3)CC2=O)cc1C 103716870 ILGRXEKDNWQFSZ-QGZVFWFLSA-N 366.461 4.082 0 40 FIAB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)c1ccco1 104274171 GIWKEONTROOMEI-UHFFFAOYSA-N 354.189 4.147 0 40 FIAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCc1c(C)noc1C 110918455 UJHXMQOSQTXAHA-OKILXGFUSA-N 355.482 4.330 0 40 FIAB CC(C)c1ncc(Cl)c(C(=O)Nc2nc3cc(Cl)ccc3n2C)n1 125793909 YYRZNPCQJKUWPU-UHFFFAOYSA-N 364.236 4.046 0 40 FIAB O=C(c1cc(C2CC2)[nH]c(=O)c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 185481368 PEEHOWBHTUELGK-HXUWFJFHSA-N 361.445 4.101 0 40 FIAB Cc1ccc(C)c(OCC(=O)NCCSCc2cccc(Cl)c2)c1 218948170 LWCOCBXHBZFPEL-UHFFFAOYSA-N 363.910 4.385 0 40 FIAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 222796570 NIQMVCOISUZWGF-OALUTQOASA-N 366.465 4.004 0 40 FIAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1Cc1ccccc1 223369669 JIGGEYPVXWPKSD-ROUUACIJSA-N 351.500 4.316 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1C 223544683 FSSDYDYYRPATCL-LBPRGKRZSA-N 351.497 4.061 0 40 FIAB CC(C)Oc1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224508046 XHLQJDOAKYUQNX-KRWDZBQOSA-N 367.489 4.436 0 40 FIAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](C)CC)n2)cc1 225199154 XVRHBLJAOKQUMN-LBPRGKRZSA-N 359.499 4.012 0 40 FIAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 225361600 VQXDJPCPASPDNY-MRXNPFEDSA-N 373.324 4.427 0 40 FIAB COc1cccc(NC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 225760241 GNBFZJNVXIXSJS-UHFFFAOYSA-N 367.449 4.402 0 40 FIAB O=C(Oc1ccc(N2CCCC2)cc1)c1cnc(OCC2CC2)c(Cl)c1 1532061009 GJUHWFYLJXKVKQ-UHFFFAOYSA-N 372.852 4.343 0 40 FIAB COC1CCC(CCNC(=O)Nc2ccc3c(N(C)C)nccc3c2)CC1 1671754400 GEXHMVBOOPEVSQ-UHFFFAOYSA-N 370.497 4.018 0 40 FIAB CC(C)=CCCn1c(-c2cccnc2)nnc1N1CCC[C@H]2CCC[C@H]21 1706207931 WEUBYEWDCAZAQH-IEBWSBKVSA-N 351.498 4.465 0 40 FIAB C[C@@H]1[C@@H](c2ccc(F)c(F)c2)CCN1[C@@H](C(=O)O)c1ccc(F)c(F)c1 1776589218 ROJJFEVOTVDMPL-SBOFIZKASA-N 367.342 4.247 0 40 FIAB COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1OC 667993 CTDUDYMNQRRDPY-HXUWFJFHSA-N 361.441 4.418 0 40 FIAB CC1=CC=CC2=NC(C(F)(F)F)(C(F)(F)F)N=C(c3ccccc3)N12 721306 UICRDHMEQSMSJX-UHFFFAOYSA-N 359.273 4.442 0 40 FIAB CCOC(=O)[C@@H](CC)Sc1nnc(-c2ccccc2)n1-c1ccccc1 860557 MPOUVDRDVZVZKA-QGZVFWFLSA-N 367.474 4.368 0 40 FIAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cccc4ccccc34)ccc12 895379 JEHMARRQDDHCQC-UHFFFAOYSA-N 359.381 4.272 0 40 FIAB O=c1c2cc(-c3ccccc3)sc2nnn1Cc1cccc(Cl)c1 1321138 KTZGRXMJBKJWHM-UHFFFAOYSA-N 353.834 4.222 0 40 FIAB Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 1326972 VWSULAOVTDGWJC-UHFFFAOYSA-N 350.491 4.448 0 40 FIAB Cc1cc(NC(=O)C2CCCCC2)ncc1NC(=O)Cc1ccccc1 1358124 TYWARYQRAPSIGC-UHFFFAOYSA-N 351.450 4.090 0 40 FIAB CC[C@@H](C)COC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12 2373756 KIZAMYZCISEFFX-CQSZACIVSA-N 368.481 4.416 0 40 FIAB CCn1nc(NC(=O)c2ccccc2OC)c2cc3ccc(C)cc3nc21 2412238 UOEWXENOAOBFPV-UHFFFAOYSA-N 360.417 4.174 0 40 FIAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CNC(=O)c1cccs1 3440244 KCKXFZWPVIVGIU-UHFFFAOYSA-N 359.491 4.136 0 40 FIAB C[C@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ccccc1 3518186 VZFBWERIIMTWNU-HNNXBMFYSA-N 364.401 4.076 0 40 FIAB O=C(Nc1nc2c(Cl)cccc2s1)c1cc(=O)c2ccccc2o1 3892316 CWHPYKSKHPMZIB-UHFFFAOYSA-N 356.790 4.308 0 40 FIAB Cc1cc(Br)cc(Br)c1OC(=O)c1ccco1 4175884 MQEZVUWJGDFTRV-UHFFFAOYSA-N 360.001 4.332 0 40 FIAB CSc1nsc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 4502718 OPRJJEIKBSYAQS-UHFFFAOYSA-N 366.320 4.298 0 40 FIAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1cccc2ncccc12 4710607 NBEFIANIABDDNC-UHFFFAOYSA-N 368.849 4.433 0 40 FIAB O=C1N[C@@H](c2ccc(N3CCC(c4ccccc4)=N3)cc2)Nc2ccccc21 4871662 SIQQSJTXPVADIA-QFIPXVFZSA-N 368.440 4.155 0 40 FIAB Cc1ccc(O)c(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c1 4880598 APYOVMAUHQKOAM-UHFFFAOYSA-N 373.206 4.370 0 40 FIAB CN(C)Cc1ccc(C(O)(c2ccccc2)c2ccc(CN(C)C)cc2)cc1 4933546 XIZNXPRKXYRKPK-UHFFFAOYSA-N 374.528 4.094 0 40 FIAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cccc2ccccc12 5248946 QINJLKXBJLKZJB-UHFFFAOYSA-N 368.849 4.495 0 40 FIAB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1 5716863 YGRHKHXPOXLMDN-XSFVSMFZSA-N 370.408 4.069 0 40 FIAB Cc1cc(C)cc(OCCNC(=O)CCCOc2ccc(Cl)cc2)c1 5749808 QUFOHAXMSJHURM-UHFFFAOYSA-N 361.869 4.311 0 40 FIAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(Br)s1 6362084 LZZXALSUTWDSCQ-UHFFFAOYSA-N 374.325 4.436 0 40 FIAB Cc1cc(C)n2nc(SCc3csc(-c4cccs4)n3)nc2n1 6880887 XZQYMNXWWSVEPX-UHFFFAOYSA-N 359.505 4.218 0 40 FIAB CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)/C=C/c1ccccc1 7247536 VNAIHXJTQHPANT-VAWYXSNFSA-N 355.381 4.138 0 40 FIAB O=C(COC(=O)CCC1CCCCC1)Nc1ncc(Cl)cc1Cl 7701681 KAZGIZMXDVMWRA-UHFFFAOYSA-N 359.253 4.231 0 40 FIAB CSc1ccc(CN(C)C(=O)/C=C/c2ccc(-n3ccnc3)cc2)cc1 8128968 FQSWJKTTXFHIDC-KPKJPENVSA-N 363.486 4.266 0 40 FIAB Cc1cc(OCC(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)ccc1Cl 8130624 LFOVHMCESUFOHW-ZDUSSCGKSA-N 372.808 4.382 0 40 FIAB CCc1ccc2c(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)coc2c1 8231951 HNSIZCAVPNBIKR-UHFFFAOYSA-N 362.429 4.069 0 40 FIAB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1 8368908 QQWBGSFQOGEMLK-UHFFFAOYSA-N 369.273 4.443 0 40 FIAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccncc3)cccc2c1=O 9060767 ZVFDYUAZLUXKRH-UHFFFAOYSA-N 356.381 4.416 0 40 FIAB CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1 9232147 HXNCVOWYILJTIS-OAHLLOKOSA-N 356.853 4.455 0 40 FIAB COc1ccc(/C=C/c2nn3c(-c4cc(F)ccc4F)nnc3s2)cc1 9485240 YHCYTVBUPFABAK-RUDMXATFSA-N 370.384 4.310 0 40 FIAB COc1cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(C)n1 12225755 JXEWTQYJWVMRGA-UHFFFAOYSA-N 367.384 4.320 0 40 FIAB Cc1csc(NC(=O)Cn2c(Cc3ccccc3)nc3ccccc32)n1 12323116 OTSDDPOHBOYJHI-UHFFFAOYSA-N 362.458 4.031 0 40 FIAB CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 12574361 ROLDYKQLDGVVME-OUKQBFOZSA-N 351.475 4.482 0 40 FIAB O=C(NCC1(c2ccccc2)CCC1)c1cc(Br)ccc1F 12733233 VZOGSVVIGFXIKQ-UHFFFAOYSA-N 362.242 4.440 0 40 FIAB COc1cc(NC(=O)Cc2ccc3ccccc3c2)cc(OC)c1OC 12773992 MIJUHZKFWKRATF-UHFFFAOYSA-N 351.402 4.047 0 40 FIAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2ccc(NC(=O)C3CC3)cc2)o1 12824358 UJYKJECOJDXLHZ-GJNLVEQSSA-N 364.445 4.081 0 40 FIAB CCCOc1ccc(OCCSCCC(=O)NC2CCCCC2)cc1 12917396 ADCYTYIEIGPUQU-UHFFFAOYSA-N 365.539 4.426 0 40 FIAB CC1(C)CC(NC(=O)c2cc(C3CC3)nc3ccccc23)CC(C)(C)N1 12925551 BBAHMCNQOUKXRQ-UHFFFAOYSA-N 351.494 4.151 0 40 FIAB CC[C@H](/N=c1\cc(-c2ccc(OC)cc2)oc2ccc(C)cc12)C(=O)O 13144887 ONIINDPDHIFBGG-VPMFXMNOSA-N 351.402 4.181 0 40 FIAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(OC)c1 14651772 YISJPWOISXQDHK-UHFFFAOYSA-N 364.239 4.499 0 40 FIAB CCc1cccc(CC)c1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 15960774 HFCBUCJZVVYYKU-UHFFFAOYSA-N 365.882 4.121 0 40 FIAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCC3)CC[C@H]21 19081600 QJKSAYSNTRKNRJ-GUDVDZBRSA-N 360.567 4.353 0 40 FIAB COc1cc(CN2CCCCC[C@H]2c2cc(C)no2)cc(OC)c1OC 19120212 KRQAYVOFKOJSKH-INIZCTEOSA-N 360.454 4.126 0 40 FIAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(Br)cc1 20111865 ARCHQKJHEJFLGX-KRWDZBQOSA-N 357.251 4.174 0 40 FIAB biogenic O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccnc1Oc1ccccc1 24498677 WRPVFKIQYCWASE-UHFFFAOYSA-N 373.412 4.253 0 40 FIAB O=C(NCCCc1ccccc1)NCc1ccc(CN2CCCCC2)cc1 24980639 DCNOJKJCUMLAPE-UHFFFAOYSA-N 365.521 4.105 0 40 FIAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1nc2ccccc2s1 26968460 DGDHQWSRTABIOT-UHFFFAOYSA-N 363.442 4.465 0 40 FIAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 27381119 MTBLQFZKSSNTGF-UHFFFAOYSA-N 350.462 4.204 0 40 FIAB O=S(=O)(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(F)c1 28791172 SPSPTBZKELNEMK-UHFFFAOYSA-N 363.410 4.058 0 40 FIAB COc1ccccc1NC(=O)Cc1c(C)[nH]c2ccc(Br)cc12 30715679 FWKHGWFLTHASEY-UHFFFAOYSA-N 373.250 4.429 0 40 FIAB Cc1ccc(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)c(C)c1 32578677 IABSUXXQVFLDSF-UHFFFAOYSA-N 365.433 4.494 0 40 FIAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)sc2cccc(F)c12 32772908 PBNQFDLCXQIFNQ-SNVBAGLBSA-N 370.405 4.321 0 40 FIAB Cc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1-c1nccn1C 32894970 YVTIDZKVDSWXHN-UHFFFAOYSA-N 366.368 4.123 0 40 FIAB Cc1ccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)cc1-n1cccc1 32915539 NOCMOFZCZZKQEN-LJQANCHMSA-N 357.457 4.415 0 40 FIAB C[C@H](NC(=O)CCc1nc(Cc2ccccc2)no1)c1cccc(Cl)c1 36397890 HWNXZWMRJVPXOG-AWEZNQCLSA-N 369.852 4.124 0 40 FIAB Cc1ncsc1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 40139189 XXDIPRNUFJKEGK-KRWDZBQOSA-N 361.470 4.495 0 40 FIAB COc1ccc(-n2cnc3c2N=C(O)C[C@@H]3c2ccsc2)c(OC)c1 40284256 CDDYKMZNDOMHFX-CYBMUJFWSA-N 355.419 4.075 0 40 FIAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(C)C1CCC(C)CC1 44142009 HNHBXKLYKVTQFZ-UHFFFAOYSA-N 357.498 4.273 0 40 FIAB Cc1ccccc1Oc1nc2ccccc2nc1N1CCC(C(=O)O)CC1 44841918 IHJHMAOEUQYMRM-UHFFFAOYSA-N 363.417 4.032 0 40 FIAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1nccs1 48277654 KOBZFPLIXYAQRU-UHFFFAOYSA-N 369.393 4.467 0 40 FIAB CCc1c(C(=O)CN(C)Cc2c(F)cccc2Cl)[nH]c(C)c1C(C)=O 48355423 WTXHLDGNRRSDSK-UHFFFAOYSA-N 364.848 4.195 0 40 FIAB Fc1ccc(-c2nnc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)o2)cc1 53369202 FVNIJUZHBJMGCG-QGZVFWFLSA-N 373.815 4.103 0 40 FIAB O=c1c(-c2ccccc2)coc2c3c(ccc12)OCN(Cc1cccnc1)C3 54313293 XXXZMGZVIWTWIG-UHFFFAOYSA-N 370.408 4.207 0 40 FIAB biogenic CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1cccc(Cl)c1)C3 61997667 XXYUHNPEUBYNFP-UHFFFAOYSA-N 355.821 4.361 0 40 FIAB biogenic C[C@H](NC(=O)c1cn[nH]c1-c1cccc(Br)c1)c1ccccc1 72329070 QRUHQRSBDGNLED-LBPRGKRZSA-N 370.250 4.330 0 40 FIAB COc1cccc(Cc2cccc([C@@H]3CCCN3Cc3cccnc3)n2)c1 72357681 UUOAMTFAKLIYOI-QHCPKHFHSA-N 359.473 4.413 0 40 FIAB COc1cccc(-c2cncc(C3CCN(C(=O)c4ccccc4)CC3)n2)c1 72359328 OMKSMCMBRYGVEE-UHFFFAOYSA-N 373.456 4.172 0 40 FIAB O=C1OCCN1c1cccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 84374334 YZJSIFUBINBNSV-QGZVFWFLSA-N 371.824 4.276 0 40 FIAB COc1ccc(-n2ccc(CNc3c(F)c(F)c(F)c(F)c3F)n2)cc1 96011544 SLLNGJNJFBEMNV-UHFFFAOYSA-N 369.293 4.189 0 40 FIAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccccn34)n2)cc1Cl 96038038 DLVACYOCJDXWCY-UHFFFAOYSA-N 350.809 4.339 0 40 FIAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3Cl)C2=O)cc1C 101275423 XSCMNMKAIOJRTP-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB CC[C@H](C)n1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 165582448 RPYFVGITQKVOBR-GQFJFNLSSA-N 373.481 4.383 0 40 FIAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H](C)COc2ccccc2C)c1 223219712 HUKLLTPZLCKZLM-SFHVURJKSA-N 355.478 4.389 0 40 FIAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223843221 SZZAZQBBMFPAHD-IAGOWNOFSA-N 367.499 4.334 0 40 FIAB CC(C)n1c(=O)sc2cc(NC(=O)CCCOc3ccccc3)ccc21 225153350 ULUCWQQQTDSQGX-UHFFFAOYSA-N 370.474 4.442 0 40 FIAB Cc1ncc(CN(C)C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)s1 331417669 PYZDJBOHKCDJQZ-CQSZACIVSA-N 373.526 4.198 0 40 FIAB CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1 408787243 VPYPRDIBYCMIGG-MTGKDYNDSA-N 354.475 4.247 0 40 FIAB CC(C)(C)c1noc(CN2CCC[C@@H]2c2ccc(Br)cc2)n1 530736878 PVHPTOIDSQJZAH-CQSZACIVSA-N 364.287 4.467 0 40 FIAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCc2ccc(Cl)cc2)[C@H]1O 585290387 VTFOOIZJIPOILJ-CEWLAPEOSA-N 359.897 4.142 0 40 FIAB Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2F)cc1 1558389270 STMNUCJTZXIECP-HZPDHXFCSA-N 351.381 4.094 0 40 FIAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1OC 872110 PLAGUVJNTVPIOG-JOCHJYFZSA-N 374.440 4.471 0 40 FIAB biogenic O=C(COC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1 885900 FVTMWYWTFLWDKL-UHFFFAOYSA-N 365.410 4.040 0 40 FIAB COc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)c(N)c3cc2c1 917615 IKJTVBAMOVLVLX-UHFFFAOYSA-N 369.490 4.445 0 40 FIAB Cc1ccc(Br)cc1SCC(=O)NCc1ccccc1 938553 OCENOPKDTPFZLB-UHFFFAOYSA-N 350.281 4.166 0 40 FIAB O=C(Nc1cccc(F)c1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1346896 MNLTVKNGSCJSFQ-MRXNPFEDSA-N 361.804 4.114 0 40 FIAB CCOC(=O)c1cc(=O)c2cc(CC)c(OCc3ccccc3)cc2o1 1676272 KBXOLAKKNCCITE-UHFFFAOYSA-N 352.386 4.111 0 40 FIAB COC(=O)Nc1ccc(SCC(=O)N(c2ccccc2)C(C)C)cc1 1811991 LTZPNQLSTYAMOD-UHFFFAOYSA-N 358.463 4.399 0 40 FIAB CCCCSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2459557 LPTOJEPBPIQGBH-UHFFFAOYSA-N 352.912 4.426 0 40 FIAB CCc1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 2635848 FOLLOSBLIWFAFT-UHFFFAOYSA-N 359.425 4.498 0 40 FIAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@@H]1COc2ccccc2O1 3262833 UWDNSOVVQRHYHA-FQEVSTJZSA-N 371.396 4.008 0 40 FIAB c1ccc(-c2nnc(CSc3nnc4sc5ccccc5n34)o2)cc1 3303544 HZIDHQNDLXXAQP-UHFFFAOYSA-N 365.443 4.286 0 40 FIAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)cc1 3317863 SUQVQBUYMFEIST-QGZVFWFLSA-N 364.489 4.171 0 40 FIAB C[C@H](OC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 3326256 SJQCHLNJHKAIML-NSHDSACASA-N 364.228 4.128 0 40 FIAB COc1ccc([C@@H](CNC(=O)c2cc3ccccc3o2)N2CCCC2)cc1 3331084 PNETWOCRUSFOJR-LJQANCHMSA-N 364.445 4.008 0 40 FIAB Cc1cccc(C(C)C)c1NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 3423877 AFPRKNKGUQTAGF-UHFFFAOYSA-N 369.856 4.064 0 40 FIAB Cc1c(C(=O)C(=O)Nc2ccc(Br)cc2)c2ccccc2n1C 4062615 XKRNEIPWXXFYNT-UHFFFAOYSA-N 371.234 4.071 0 40 FIAB Cc1ccc(C(=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]c2=O)cc1 4320261 ORNIJFFGLGUJPR-UHFFFAOYSA-N 369.424 4.459 0 40 FIAB CC(=O)Nc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1 4688511 JEWRODCEXGTXTI-UHFFFAOYSA-N 353.403 4.210 0 40 FIAB COc1ccc(-c2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1 4939093 GNMQJPOFWQIVCN-UHFFFAOYSA-N 367.455 4.180 0 40 FIAB Cc1cccc(Cc2cnc(NC(=O)C3=Cc4ccccc4OC3)s2)c1 5034309 VNWDQICHHYVZBY-UHFFFAOYSA-N 362.454 4.457 0 40 FIAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1O 5163295 RKFRSRSZVCGMNQ-UHFFFAOYSA-N 356.447 4.025 0 40 FIAB Cc1cccc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c1 5740273 CRLNPCBAPUOAQH-OAHLLOKOSA-N 355.459 4.069 0 40 FIAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(-c2ccccc2)cc1 5965583 WEBDRTNUSRVLII-UHFFFAOYSA-N 360.413 4.330 0 40 FIAB CCc1cccc2c(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)c[nH]c12 6110984 NPZROIXWSXQKPI-UHFFFAOYSA-N 365.458 4.001 0 40 FIAB CCc1nnc(NC(=O)COc2ccc3oc4ccccc4c3c2)s1 6507709 FCADKJAZWDCGMD-UHFFFAOYSA-N 353.403 4.017 0 40 FIAB CCc1ccc2nc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)sc2c1 6590026 PDQSYMHSNNMCRP-HNNXBMFYSA-N 358.850 4.454 0 40 FIAB CC(C)Nc1nnc(SCc2cc(=O)oc3cc4c(cc23)CCC4)s1 7699041 YDYFBLSTEDQQIX-UHFFFAOYSA-N 373.503 4.246 0 40 FIAB Cc1nn(-c2ccccc2)c(Cl)c1CNC1CC(C)(C)NC(C)(C)C1 7984043 CRAALDQSGPIAFK-UHFFFAOYSA-N 360.933 4.233 0 40 FIAB O=C(NCc1ccccc1)c1ccccc1OCc1cc(-c2ccco2)on1 8223359 NIYABOCSGRYWEX-UHFFFAOYSA-N 374.396 4.444 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)cc3)ccc21 8958894 MDABYPNJDNHJNW-UHFFFAOYSA-N 370.424 4.240 0 40 FIAB COc1ccccc1NC(=O)COc1ccc(C2SCCS2)cc1 9479794 PLWZXRYWPNTYKL-UHFFFAOYSA-N 361.488 4.191 0 40 FIAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cc(=O)c2ccccc2o1 9691353 BUYPWIUYLFRMRI-UHFFFAOYSA-N 351.446 4.081 0 40 FIAB CCOCCS[C@H](C)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 9937849 NYSQVPSWUGNLJM-SNVBAGLBSA-N 350.465 4.075 0 40 FIAB CC(C)c1ccc(CCC(=O)N2CCN(c3ccccc3F)CC2)cc1 10368815 CBYYAYOLMBNXLN-UHFFFAOYSA-N 354.469 4.231 0 40 FIAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cl)c(Cl)c1 10815626 GKOKUOGMHCTTMU-UHFFFAOYSA-N 374.231 4.234 0 40 FIAB O=C(CCS[C@@H]1CCc2ccccc2N=C1O)N1CCc2ccccc21 11865929 QTGVYCRRQRCRHZ-LJQANCHMSA-N 366.486 4.302 0 40 FIAB O=c1[nH]c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1 11990959 PNBGMRLZLIRPAZ-UHFFFAOYSA-N 364.257 4.431 0 40 FIAB Cc1ccc2oc(C(=O)NCCc3nc(-c4ccccc4)no3)c(C)c2c1 12058347 NTAOYWZLAOVIDO-UHFFFAOYSA-N 361.401 4.072 0 40 FIAB CCCOc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2)ns1 12062955 KEPBAQJZAKKXRG-UHFFFAOYSA-N 369.446 4.255 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 12520452 MOWFWMCZMJFWDH-QGZVFWFLSA-N 367.493 4.433 0 40 FIAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1ccc(OC(F)(F)F)cc1 12553666 JWUCEXOWEZSEND-LBPRGKRZSA-N 368.355 4.341 0 40 FIAB C[C@H](SCc1cccc(F)c1)c1nc(N)nc(Nc2ccccc2)n1 12633830 PFDYECNRABLRPR-LBPRGKRZSA-N 355.442 4.331 0 40 FIAB CC(=O)Nc1ccc(SCC(=O)N2CCC[C@H]2c2cccs2)cc1 13023358 GVMSMZGJPQOAKE-INIZCTEOSA-N 360.504 4.162 0 40 FIAB Cc1cc(C)c(NC(=O)C(=O)NCC2(c3cccs3)CCCC2)c(C)c1 13804330 QQKOLHQNYPMTTK-UHFFFAOYSA-N 370.518 4.240 0 40 FIAB Cc1ccccc1/C=C/c1nc(S[C@H](C)C(=O)NC2CCCCC2)n[nH]1 14135429 MQHJQWQYVPDISD-RDRICISKSA-N 370.522 4.213 0 40 FIAB CC[C@H](C)NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 14234735 SUTAUNXNAATVQZ-HNNXBMFYSA-N 365.429 4.209 0 40 FIAB Cc1cc(Cl)ccc1O[C@H](C)c1nn2c(=O)c3ccccc3nc2s1 17076175 JIOIUQXZJLMLGQ-LLVKDONJSA-N 371.849 4.406 0 40 FIAB O=C(NCc1cccnc1)c1ccccc1OCc1ccc(Cl)cc1 17168862 VWNYZQXGGBMRBD-UHFFFAOYSA-N 352.821 4.244 0 40 FIAB COC(=O)c1c(C)nc2ccn(-c3ccccc3)c(=O)c2c1-c1ccccc1 19962812 KAQPDIAMKTTZNU-UHFFFAOYSA-N 370.408 4.148 0 40 FIAB COc1c(Cl)cc(C(=O)Nc2cc(C(=O)O)ccc2C)cc1Cl 20142524 AELDNHLTWVKFOI-UHFFFAOYSA-N 354.189 4.261 0 40 FIAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(O)=N2 20745702 MVXGYNSFHGKLEC-LBPRGKRZSA-N 373.338 4.113 0 40 FIAB COc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccccc3)o2)cc1F 21403700 MAGQQWQRXVFQOA-CQSZACIVSA-N 368.408 4.299 0 40 FIAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccccc4)nc3c12 21801693 ALMFDGHKKANMGJ-UHFFFAOYSA-N 357.392 4.491 0 40 FIAB Clc1ccc(CN2CCN(Cc3nc4ccccc4s3)CC2)s1 21843122 VQHZREIJTLTMQS-UHFFFAOYSA-N 363.939 4.329 0 40 FIAB CN(Cc1ccc(F)cc1F)C(=O)NCc1cccc(C(F)(F)F)c1 24937617 JFSNKXUDGOSOCT-UHFFFAOYSA-N 358.310 4.325 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 25252373 ARMZZMRBMSNERX-MAUKXSAKSA-N 374.937 4.211 0 40 FIAB O=C(/C=C/c1cnc2ccccc2n1)Nc1ccccc1OC(F)(F)F 27823738 FWYTUQUDTMNFKU-MDZDMXLPSA-N 359.307 4.180 0 40 FIAB CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@@H](c2ccccc2C)NC(=O)N1 28464946 ZKBSQALDNSMMCQ-GOSISDBHSA-N 369.852 4.223 0 40 FIAB O=C(NC1CCCC1)c1ccccc1C(=O)c1ccc(Br)cc1 29411377 UCAIJWSUXFSJRY-UHFFFAOYSA-N 372.262 4.353 0 40 FIAB Cc1ccccc1-n1ncc(C(=O)Nc2ccc3c(c2)OCO3)c1C1CC1 29739764 HRQQVUJKFCESJR-UHFFFAOYSA-N 361.401 4.039 0 40 FIAB CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 35442771 WBBBSXCZAMJSLC-BJLQDIEVSA-N 369.509 4.192 0 40 FIAB biogenic,in-vitro O=C(NCc1cn2cc(Cl)ccc2n1)c1cc2cc(Cl)ccc2[nH]1 44375240 WFMWLCOMUJLXLP-UHFFFAOYSA-N 359.216 4.052 0 40 FIAB C[C@@H]1c2ccsc2CCN1C(=O)NCc1ccnc(OC2CCCC2)c1 45927774 DUKUDACOICGYFC-CQSZACIVSA-N 371.506 4.293 0 40 FIAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 57314183 QERZVLQXDXGTEJ-UHFFFAOYSA-N 352.203 4.384 0 40 FIAB CCO[C@H](C(=O)Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1 58165912 ZKBNMDSMNDHUAX-KRWDZBQOSA-N 353.447 4.251 0 40 FIAB CC(C)[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)c1cccs1 63809384 OWVCUPVZJSZZBN-AWEZNQCLSA-N 359.476 4.187 0 40 FIAB O=C(COC1CCCC1)Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1 69925958 ULGTYNUJJVARCJ-UHFFFAOYSA-N 353.397 4.267 0 40 FIAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 72349327 HSKWXIOJTAHPCQ-QGZVFWFLSA-N 350.462 4.263 0 40 FIAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CC[C@@H](C)C1 75581968 TUVLNSKFAVEPPU-GFCCVEGCSA-N 359.267 4.302 0 40 FIAB Cc1oc(-c2ccccc2)nc1COC(=O)Cc1ccc(O)cc1Cl 84052780 IBKNMUGLLYQSKZ-UHFFFAOYSA-N 357.793 4.295 0 40 FIAB COc1cc(CN2CCC[C@H]([C@H](C)O)C2)ccc1OCc1ccc(F)cc1 96003584 RVPDFAUNTVWFSN-LPHOPBHVSA-N 373.468 4.006 0 40 FIAB O=C(Cc1ccccc1Cl)NCc1cc(C2CC2)n(C2CCCC2)n1 96104071 ISEISVHZSCJQIC-UHFFFAOYSA-N 357.885 4.388 0 40 FIAB O=C(CC1(n2cccc2)CCCCC1)NCCCc1nc2ccccc2[nH]1 96118645 RDBMTQUUTXFAMC-UHFFFAOYSA-N 364.493 4.163 0 40 FIAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 101277191 QABMAIUOMPITGC-CQSZACIVSA-N 369.635 4.391 0 40 FIAB COc1cccc(/C=N\N(C(=O)C(F)(F)F)c2ccc(C)cc2C)c1 214323435 HYMZAYGFKNNHDN-JJFYIABZSA-N 350.340 4.241 0 40 FIAB Cc1ccc(OCC(=O)NCCSCc2c(F)cccc2Cl)cc1 222758995 VUIHGZSXHAOPTE-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB CCc1ccc(O[C@H](CC)C(=O)N[C@H](C)COc2ccccc2C)cc1 222897863 SHZSHCYAJDOLOV-YLJYHZDGSA-N 355.478 4.299 0 40 FIAB Cc1ccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)cc1C 224140926 WZQPQLAWUMYDJS-UHFFFAOYSA-N 355.478 4.175 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1 224412088 BYZTXUFGFACLHB-HTAPYJJXSA-N 367.489 4.307 0 40 FIAB CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 224707361 JSNCAGJKZRXLOH-UHFFFAOYSA-N 350.654 4.472 0 40 FIAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCc1ccc(OC)c(C)c1 225177881 HIKMKGUQJZFQOQ-INIZCTEOSA-N 368.477 4.103 0 40 FIAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2c(F)cccc2Cl)c1 225556276 RBZZWCSRYOWSIG-UHFFFAOYSA-N 369.889 4.224 0 40 FIAB COc1ccc2cc(S(=O)(=O)N[C@H]3CCCc4ccccc43)ccc2c1 225775396 WFLZMDLUPLCHDZ-NRFANRHFSA-N 367.470 4.204 0 40 FIAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(C)c(Cl)c1 225786134 FUFBZYLGTVFQOG-ZDUSSCGKSA-N 364.898 4.411 0 40 FIAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 231425148 MMJJSEJKPCNVLX-SWLSCSKDSA-N 359.919 4.294 0 40 FIAB O=C(c1ccccc1Oc1ccccc1)N1CC[C@H](Oc2ccccn2)C1 238836290 GUBVQFBIVXQIFK-SFHVURJKSA-N 360.413 4.167 0 40 FIAB Cc1nc(C)c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)s1 329183230 OUVURLREYQKRMX-OAHLLOKOSA-N 372.469 4.329 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408607260 KIAUHVOCZWDVKS-HXUWFJFHSA-N 354.881 4.003 0 40 FIAB COCCCN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 409232673 BDBGOWSLRHQCHX-LFIBNONCSA-N 361.394 4.159 0 40 FIAB C[C@@H]1CCN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CC12CCC2 538489763 SPKXDZCXLPAXIE-GFCCVEGCSA-N 357.376 4.067 0 40 FIAB O=C(NCC1(c2ccsc2)CCOCC1)c1cc2ccccc2s1 952989864 OSOLMRRVFIZDEO-UHFFFAOYSA-N 357.500 4.441 0 40 FIAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCc1cccc(NC(=O)C2CCC2)c1 1220846373 DKPQTLQWWVUFKP-BEFAXECRSA-N 371.525 4.439 0 40 FIAB COc1ccc(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)cc1 683261 WSIBBBIYKNKCCS-UHFFFAOYSA-N 352.434 4.466 0 40 FIAB O=C(Nc1ccccc1Cl)c1ccccc1I 834190 JWIBWYAPVTUQDU-UHFFFAOYSA-N 357.578 4.197 0 40 FIAB O=C(O)c1ccccc1C(=O)NCC[C@@H](c1ccc(F)cc1)c1ccco1 1305380 NJRTVPNWIAJGMF-INIZCTEOSA-N 367.376 4.069 0 40 FIAB COc1ccccc1NC(=O)N1CCC(n2cnc3cc(F)ccc32)CC1 1380315 DJOCNGVEBTWNCA-UHFFFAOYSA-N 368.412 4.053 0 40 FIAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1Cl 1972521 XXFBMUJSPSMCAH-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CCOC(=O)c1sc(=S)n(CC)c1NC(=O)c1ccccc1Cl 2319459 FXRVQNJPOQXXSA-UHFFFAOYSA-N 370.883 4.381 0 40 FIAB O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2cccc(Cl)c2)s1 2956020 BBFPINMAAHQVEE-UHFFFAOYSA-N 371.805 4.414 0 40 FIAB biogenic O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1cccc(Cl)c1 3239048 QMVKKNUJJQWDGE-UHFFFAOYSA-N 358.608 4.442 0 40 FIAB CCOc1ccccc1OCCC(=O)Nc1cc(C)c(Cl)cc1OC 3355455 OIBXDGDNLFIMMK-UHFFFAOYSA-N 363.841 4.463 0 40 FIAB Fc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12 4137850 LKHZLYHELKULAZ-UHFFFAOYSA-N 370.478 4.372 0 40 FIAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(Cl)cc1 4305079 WZXNYPVRDQFYDT-LJQANCHMSA-N 366.848 4.467 0 40 FIAB CCOc1ccc(NC(=O)CCCc2nc(-c3ccc(C)cc3)no2)cc1 4433891 WWRYIXVAYIKWPA-UHFFFAOYSA-N 365.433 4.405 0 40 FIAB CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 4518049 NUOXRQJJZVTMRK-UHFFFAOYSA-N 367.426 4.135 0 40 FIAB C[C@@H](CC(=O)Nc1nnc(CCc2ccccc2)s1)c1ccccc1 4696310 WWFLZTRCJMMDCE-HNNXBMFYSA-N 351.475 4.456 0 40 FIAB CC(C)(C1=N[C@@H](Cc2ccccc2)CO1)C1=N[C@H](Cc2ccccc2)CO1 4979011 GAKCKAKYRQUVRK-BGYRXZFFSA-N 362.473 4.093 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 5099233 BIUWFXWZTHJKMB-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB O=C(CSCC(=O)Nc1ccccc1Cl)Nc1ccc(Cl)cc1 5463531 WYKMIHOZUNOUNO-UHFFFAOYSA-N 369.273 4.304 0 40 FIAB CCc1c(C)sc(NC(=O)[C@H](CC)Oc2ccccc2)c1C(=O)OC 5477172 KVXQRXUJXICZFV-HNNXBMFYSA-N 361.463 4.202 0 40 FIAB CC(=O)c1sc(NC(=O)COc2ccccc2F)nc1-c1ccccc1 5607730 GUHIQQXSGGAHQB-UHFFFAOYSA-N 370.405 4.169 0 40 FIAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cccc3ccccc23)C1=O 5791962 WJVAUHLLALTYJK-NRFANRHFSA-N 366.367 4.085 0 40 FIAB CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 6207468 WXSGVSMFPMBWAY-UHFFFAOYSA-N 373.833 4.077 0 40 FIAB Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)n1C 7436823 JAAPMPHCPDFCLJ-LLVKDONJSA-N 361.854 4.400 0 40 FIAB COc1ccc(CNC(=O)CCSc2nc3ccccc3s2)cc1 7949935 IIIXDIPDXZQFKZ-UHFFFAOYSA-N 358.488 4.104 0 40 FIAB COc1ccccc1-c1nc2c(c(=O)[nH]1)Cc1c(ccc3ccccc13)O2 8568399 XUXUFHSGTLWEFD-UHFFFAOYSA-N 356.381 4.295 0 40 FIAB O=C(CSc1nc(C2CCCC2)n[nH]1)Nc1ccccc1C(F)(F)F 8757095 XFUXFEYPEVFVTQ-UHFFFAOYSA-N 370.400 4.212 0 40 FIAB O=C(COc1ccc(Nc2ccccc2)cc1)NCCc1ccccc1F 9468543 XYBVKBCZMOTJAV-UHFFFAOYSA-N 364.420 4.307 0 40 FIAB Cc1ccc(Oc2ccccc2NC(=O)CSc2ncccn2)cc1 9514329 ZUGXVRWSLZRYGA-UHFFFAOYSA-N 351.431 4.308 0 40 FIAB CC1CCN(Cc2csc(NC(=O)c3cc4c(s3)CCC4)n2)CC1 9607235 UFAQYZXRXLTLNY-UHFFFAOYSA-N 361.536 4.178 0 40 FIAB O=C(Cc1c(F)cccc1Cl)NCCc1ccc(C(F)(F)F)cc1 9988714 DDOQQSKIRHBVRZ-UHFFFAOYSA-N 359.750 4.399 0 40 FIAB CCCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](CC)N3)CC1 12181188 CQRAAEQXDKAVLC-UKRRQHHQSA-N 372.435 4.087 0 40 FIAB Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N1CCCC1 12391742 KFVUAFPPSQICDU-UHFFFAOYSA-N 356.369 4.253 0 40 FIAB CCCCC(=O)Nc1cc(C)nn1-c1nc(-c2cccc(OC)c2)cs1 12442084 SAQBSVFKINRKSK-UHFFFAOYSA-N 370.478 4.442 0 40 FIAB COc1ccc2oc(C(=O)O[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)c(C)c2c1 12529411 KGMRGTIYOBTQRE-VNHYZAJKSA-N 373.449 4.085 0 40 FIAB Cc1cccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)c1 12615994 AORDQYYZZQSKCE-UHFFFAOYSA-N 372.896 4.155 0 40 FIAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCC[C@H]1c1cccnc1 12643229 YFVXLBDTYKMTPT-ZGKFYVQTSA-N 363.490 4.301 0 40 FIAB CC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 12657846 JTZTZZVWEJMKLI-FRHHDCHOSA-N 374.521 4.012 0 40 FIAB biogenic C[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 14134687 RJTBNPLFTVEAFW-LLVKDONJSA-N 361.854 4.262 0 40 FIAB Cc1ccc(-c2noc(CSc3nnc(NC(C)C)s3)n2)cc1F 14197506 NYUSQJWTNJJSAA-UHFFFAOYSA-N 365.459 4.148 0 40 FIAB Cc1ccc(-n2c3c(c(SCc4ccc(F)cc4)nc2=O)CCC3)cc1 15840420 MKTMEFYBEYJSHE-UHFFFAOYSA-N 366.461 4.461 0 40 FIAB Cc1ccccc1CNC(=O)COc1ccc(Cl)cc1Br 18547143 XCYSVOUBFHGBHJ-UHFFFAOYSA-N 368.658 4.106 0 40 FIAB O=C(NCc1nnc(-c2cccs2)o1)C1(c2ccccc2)CCCCC1 19369750 RTRARBUPEWHVIP-UHFFFAOYSA-N 367.474 4.316 0 40 FIAB C[C@@H](NC(=O)c1csc(COc2ccc(F)cc2)n1)c1ccc(F)cc1 24753698 CWKPBUFBMCMCCL-GFCCVEGCSA-N 374.412 4.491 0 40 FIAB COC(=O)c1ccc(NC(=O)c2c(-n3cccc3)sc(C)c2C)cc1 25153148 UBAKEYATTOSTTG-UHFFFAOYSA-N 354.431 4.195 0 40 FIAB Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(Cl)c2c(c1)OCCO2 25711545 UULNGKNVRZXAMH-QGZVFWFLSA-N 374.868 4.207 0 40 FIAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1 25946755 PKWQUAXQJGBREJ-UHFFFAOYSA-N 370.880 4.264 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)c(C)c1 28237586 VKRIWYJKGHFELY-GFCCVEGCSA-N 364.287 4.154 0 40 FIAB O=C(Nc1ccccc1SC(F)F)c1cncc(Br)c1 32986552 DUYIACWDDHWONI-UHFFFAOYSA-N 359.195 4.411 0 40 FIAB CCn1cc(-c2cc(C(F)(F)F)nc(N(C)C3CCCCC3)n2)c(C)n1 36618557 HWTFWEUTVCPRKZ-UHFFFAOYSA-N 367.419 4.456 0 40 FIAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 36635875 ABPCEEQHNUSSNO-OAHLLOKOSA-N 363.244 4.354 0 40 FIAB Cc1ccc(NC(=O)CSC2=N[C@@H]3Nc4ccccc4[C@@H]3N=N2)c(C)c1 38536842 QVZNVWARXNVKHM-ROUUACIJSA-N 365.462 4.290 0 40 FIAB CC(C)=C[C@H]1[C@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1(C)C 39548166 DJKNZUKRLHCUGI-RBUKOAKNSA-N 369.509 4.038 0 40 FIAB CCN(Cc1ccc(Cl)s1)C(=O)NCc1cnn(-c2ccccc2)c1 40039115 FJUHCPUXTFWYNF-UHFFFAOYSA-N 374.897 4.319 0 40 FIAB CCc1ccc([C@@H](C)NC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 40096231 IVRGGSTVFFXQDH-CYBMUJFWSA-N 358.438 4.158 0 40 FIAB COCCCC(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 40132229 KCFMEFKHIUAUKS-UHFFFAOYSA-N 359.376 4.464 0 40 FIAB O=c1cc(COc2ccc(Cl)cc2)nc2sc(-c3ccccc3)nn12 41076386 OPHDXTIMILYJJR-UHFFFAOYSA-N 369.833 4.050 0 40 FIAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 43278575 MSKOSNBLYCJIMD-UHFFFAOYSA-N 366.339 4.488 0 40 FIAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccccc1 46012638 GMLVNGBVFZBQBF-UHFFFAOYSA-N 354.413 4.495 0 40 FIAB CCOc1ccccc1-c1nnc(SCc2noc(C(C)(C)C)n2)o1 48325956 RUCYVDVZSRLWTB-UHFFFAOYSA-N 360.439 4.108 0 40 FIAB Cc1nc(NCc2ccc(F)cc2)c2cnn(-c3ccc(F)cc3)c2n1 48365002 ALCWGQARDMKBHW-UHFFFAOYSA-N 351.360 4.014 0 40 FIAB O[C@@H](CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1F 58159357 OHLSPYONVBTZHM-KSSFIOAISA-N 356.466 4.348 0 40 FIAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1C(F)(F)F 58160409 ZLTXJGYQBBGNBS-LBPRGKRZSA-N 352.356 4.003 0 40 FIAB CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)c(C)c1 58201730 NUDUXOQTGULKGT-UONOGXRCSA-N 357.541 4.036 0 40 FIAB O=C(Nc1ccccc1NCC(F)(F)F)c1cnc(-c2ccccc2)nc1 65567121 BXPNEWVPTQUTSF-UHFFFAOYSA-N 372.350 4.370 0 40 FIAB CC(C)c1ccc(CNC(=O)c2n[nH]nc2Nc2cccc(Cl)c2)cc1 67284035 HAUUZXFIOHQLTB-UHFFFAOYSA-N 369.856 4.255 0 40 FIAB Cc1ccc(Nc2nc(C)c(C(=O)NCc3ccncc3)s2)c(C)c1 71326649 ATUPCDZDGQAITJ-UHFFFAOYSA-N 352.463 4.137 0 40 FIAB O=C(c1ccc(O)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 72332622 OSCKQCVENLJRRE-NFBKMPQASA-N 370.408 4.145 0 40 FIAB CC(C)C[C@H](CCO)CNC(=O)CC(c1ccccc1)c1ccccc1 75092716 AQFNDPZPKABIHU-IBGZPJMESA-N 353.506 4.370 0 40 FIAB O=C(c1cc2ccccc2o1)N1CCC(CSC2=NCCS2)CC1 75172392 NSRJYOBCRUKVKM-UHFFFAOYSA-N 360.504 4.121 0 40 FIAB CC(C)CCC[C@H](C)N(CCC(C)C)C(=O)c1cnc2ccccn2c1=O 76066831 KBQPYEPQCSDSSH-SFHVURJKSA-N 371.525 4.398 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](c2cccc(Cl)c2Cl)[C@@H](C(=O)O)C1 79036839 BVIIDPWCFZQTOG-MNOVXSKESA-N 360.237 4.029 0 40 FIAB Cc1ccc(-c2nc(S(=O)(=O)N(C)C)c(-c3ccccc3)s2)cc1 94992810 LCHPIBYVQWRGIT-UHFFFAOYSA-N 358.488 4.036 0 40 FIAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1csc(Nc3ccccn3)n1)C2 101113590 IXXVFOSXKWAZOB-CFZJUORYSA-N 356.495 4.226 0 40 FIAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccccc2C(F)(F)F)C1 102222795 MARHYADBQYWBAV-BLLLJJGKSA-N 361.429 4.295 0 40 FIAB Clc1ccc(C/N=c2\scnn2Cc2ccc(Cl)cc2)cc1 102418484 JXFAJFYLTUROSK-MNDPQUGUSA-N 350.274 4.401 0 40 FIAB CCOc1ccccc1NC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1 170569476 TWAFZGBUIPXIJU-UHFFFAOYSA-N 362.433 4.488 0 40 FIAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 218956918 HIWUUIQVAPEMPB-IBGZPJMESA-N 353.462 4.355 0 40 FIAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC(C)C 222702945 VBAGEPLOZHVHEE-INIZCTEOSA-N 373.324 4.425 0 40 FIAB Cc1ccc(OCCNC(=O)CCSCc2ccccc2)cc1Cl 224156316 KGCDYOBITQFOLP-UHFFFAOYSA-N 363.910 4.467 0 40 FIAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)NC1CCCC1 224883228 ZYTZDIUPLZVSGH-UHFFFAOYSA-N 363.255 4.096 0 40 FIAB CCn1c(=O)sc2cc(NC(=O)COc3ccc(C(C)C)cc3)ccc21 225102160 OBMIPKIGXAPZEB-UHFFFAOYSA-N 370.474 4.224 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(F)cc1 225190236 YPXNPKXXMZGFFH-NRFANRHFSA-N 371.452 4.057 0 40 FIAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2cccc(C(F)(F)F)c2)C1 225727458 OOIKLAGQEALCPD-OKILXGFUSA-N 373.488 4.360 0 40 FIAB O=C(CCCC(=O)c1ccccc1)NCc1ccnc(-c2ccsc2)c1 225755356 BHDDFHYGGREZPP-UHFFFAOYSA-N 364.470 4.480 0 40 FIAB O=C(c1cc(F)ccc1Cl)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238881650 PJVINHJGYGCFQG-CYBMUJFWSA-N 371.799 4.159 0 40 FIAB CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(OC)cc1 408835534 NPFIZOCQILFKMF-UHFFFAOYSA-N 353.447 4.419 0 40 FIAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)NC1=S 409076993 CWIUOJKIIQLUMH-UYRXBGFRSA-N 366.486 4.042 0 40 FIAB CCCOc1c(CN2CCC(c3c[nH]nc3C)CC2)cccc1OCC 585081436 HSRLFYQYPQTDRA-UHFFFAOYSA-N 357.498 4.285 0 40 FIAB c1ccc(-c2cnc(Nc3cccc(C[C@@H]4CCCNC4)n3)s2)cc1 585262994 HCEHMSAEKRHLHG-HNNXBMFYSA-N 350.491 4.491 0 40 FIAB C[C@H]1OCC[C@@]12CN(C(=O)Nc1cc(Cl)ccc1C(C)(C)C)CCO2 670053808 CFIWVRKVGSXKQK-BFUOFWGJSA-N 366.889 4.049 0 40 FIAB CC[C@@H]1CCCC[C@@H]1CNC(=O)NCc1ccc(-n2ccnc2)c(F)c1 1667328322 DJTUFYMYGJRFCO-IAGOWNOFSA-N 358.461 4.027 0 40 FIAB Cn1nccc1[C@@H]1CCCCN1C(=O)C1c2ccccc2Oc2ccccc21 1775966631 QKHGFICIPFBJAU-IBGZPJMESA-N 373.456 4.412 0 40 FIAB C[C@H](Cc1cccc2c1cnn2[C@@H]1CCCCO1)NC(=O)OC(C)(C)C 1857524106 FWXYAUQUOBKWQD-KDOFPFPSSA-N 359.470 4.191 0 40 FIAB Cc1cnccc1OCC1CCN(C(=O)c2ccc(Cl)s2)CC1 1889138777 RDHMLTMVLQIPIP-UHFFFAOYSA-N 350.871 4.036 0 40 FIAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(Br)cc1 834858 UJCFABAWCOYWQJ-CQSZACIVSA-N 372.184 4.353 0 40 FIAB Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2cc(C)ccc2C)cc1 858346 OJKQKVQYXKBBHU-NRFANRHFSA-N 362.429 4.256 0 40 FIAB O=C(NC(=S)NCc1ccccc1Cl)c1ccc(Cl)cc1Cl 889277 NWWQISYLNQUTQA-UHFFFAOYSA-N 373.692 4.451 0 40 FIAB CCOc1ccc2nc3sc(C(=O)N4CCC[C@@H](C)C4)c(N)c3cc2c1 917096 DIFZAXKZMVLZJY-GFCCVEGCSA-N 369.490 4.303 0 40 FIAB COC(=O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 947596 ITYXDASMYLGIJA-UHFFFAOYSA-N 356.385 4.222 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc(C)c(C)c23)c1C 2726516 SLJOZCMQBPZVFD-UHFFFAOYSA-N 373.503 4.431 0 40 FIAB Cc1cccc(NC(=O)c2ccc(I)cc2)c1C 3058140 ZXBZOVKRUGHZDF-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB O=C(CSc1ncnc2ccccc12)Nc1cccc(C(F)(F)F)c1 3244312 OUCXLENUJKRODL-UHFFFAOYSA-N 363.364 4.379 0 40 FIAB Cc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1C 3491106 UJROPYFQXIBIMA-LJQANCHMSA-N 362.458 4.321 0 40 FIAB Cc1ccc(-c2cnc(SCCNC(=O)c3c(F)cccc3F)[nH]2)cc1 4315435 RAEAKHASRQOFSL-UHFFFAOYSA-N 373.428 4.185 0 40 FIAB CC(C)(C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 4601592 VWLUUEZKOGUDJG-UHFFFAOYSA-N 357.504 4.365 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccccc1F 4854280 DUDNCBVVEYQHTR-IBGZPJMESA-N 353.372 4.403 0 40 FIAB COc1ccc(C2=NN(C(=O)c3cccnc3)[C@@H](c3ccccc3)C2)cc1 5257560 WPCYCPURJWPBEF-OAQYLSRUSA-N 357.413 4.082 0 40 FIAB CCCCNC(=O)N(C)c1nnc(SCc2cccc(Cl)c2)s1 5596646 CUWJHYQWMHZFHE-UHFFFAOYSA-N 370.931 4.430 0 40 FIAB COc1ccc(Nc2nc(-c3ccc(OC)cc3)c(CC(=O)O)s2)cc1 5611700 IEJATHSGOBIZBE-UHFFFAOYSA-N 370.430 4.198 0 40 FIAB Cc1ccc(NC(=O)Cc2nc(CN3CCc4ccccc43)cs2)cc1 5638221 IFDRPAWCJJLLFZ-UHFFFAOYSA-N 363.486 4.195 0 40 FIAB Cc1ccc(NC(=S)NC[C@H](c2ccco2)N2CCCC2)cc1Cl 5937089 RHFYLVFBVMIHFI-MRXNPFEDSA-N 363.914 4.365 0 40 FIAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)N=C3SCC(=O)N32)cc1 6230533 XUBNQCDCVCWJOD-KRWDZBQOSA-N 370.861 4.376 0 40 FIAB CCSc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 6540325 FJPDKXNHOYCXNG-UHFFFAOYSA-N 355.488 4.498 0 40 FIAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2ccccc2)cc1 6851536 YJBYHADHDSNEMW-KSFYIVLOSA-N 359.425 4.371 0 40 FIAB CCc1nnsc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 8061378 CECXRVKIZWMUTA-UHFFFAOYSA-N 358.492 4.402 0 40 FIAB COC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2)c1C 8330571 BFKVQHKYXWDEIT-UHFFFAOYSA-N 363.866 4.307 0 40 FIAB CC(C)N(C(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21)C(C)C 8787316 JVRZMSRUKWEROE-UHFFFAOYSA-N 353.441 4.488 0 40 FIAB CCOc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 9062614 CHFNWHVUAZAUFU-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB O=C(NCc1coc(-c2cccs2)n1)[C@H]1C[C@H]1c1ccccc1Cl 9544625 QQQTYFSHAYERDZ-KBPBESRZSA-N 358.850 4.476 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)c1csc(-c2ccsc2)n1 9605760 IKQCDNXIWWCVFI-UHFFFAOYSA-N 358.444 4.285 0 40 FIAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(-c2ccccn2)n1 12238332 FSEWHQUVJRJKOL-UHFFFAOYSA-N 371.771 4.087 0 40 FIAB CSc1nc2ccc3nc(NC(=O)c4cc(C)no4)sc3c2s1 12422410 XRWUUFZVVPJLOZ-UHFFFAOYSA-N 362.461 4.177 0 40 FIAB Cc1noc(C)c1CSc1nnc(N2CCCCC2)n1-c1ccccc1 12593344 KTXYUHJFDXUAAU-UHFFFAOYSA-N 369.494 4.155 0 40 FIAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)ccc21 12633456 CYMYAVCRNXWCTG-HNNXBMFYSA-N 365.477 4.158 0 40 FIAB CCOc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12798292 YQKBRTMDHZSDFT-UHFFFAOYSA-N 374.440 4.383 0 40 FIAB O=C(c1cnc2c(cnn2Cc2ccccc2)c1)N1CCCc2ccccc21 12938199 ZBQJNUSIWAZQKX-UHFFFAOYSA-N 368.440 4.073 0 40 FIAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 12972123 OMWWNUCXVKJNLQ-ZHACJKMWSA-N 362.473 4.194 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl 13710007 SDUAQBRGUYLPGR-AWEZNQCLSA-N 374.868 4.228 0 40 FIAB Cc1cc(C)n(-c2ccc(SCCCC(=O)c3cccs3)nn2)n1 14085991 NCLFEQPSNLGPHU-UHFFFAOYSA-N 358.492 4.096 0 40 FIAB C[C@H](NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 15377101 GSKPYBFIAVOSEB-LBPRGKRZSA-N 363.866 4.081 0 40 FIAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C2CCCC2)n1 19690462 VYBVPRYJXPFKQF-IBGZPJMESA-N 354.473 4.428 0 40 FIAB CC(=O)Nc1ccc(CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 22257361 XEZWSAWDCOSMCW-CQSZACIVSA-N 354.475 4.105 0 40 FIAB COc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccco3)no2)cc1 22459744 ABZTZMUCGXILJR-UHFFFAOYSA-N 361.357 4.258 0 40 FIAB Cc1ccc([C@H]2C(=O)N(c3ccccc3)C(=S)N2Cc2ccco2)cc1 28405597 FUSNHGQDISJAHI-IBGZPJMESA-N 362.454 4.463 0 40 FIAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(F)cc2)cc1Cl 30331750 SAJNXWNYNVHXOV-INIZCTEOSA-N 369.845 4.014 0 40 FIAB CC(C)COc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1Cl 30512411 DSLNEXDDKFLWLF-UHFFFAOYSA-N 370.836 4.469 0 40 FIAB COc1ccc(-c2nc(CS[C@H](C)C(=O)NC(C)(C)C)cs2)cc1 31413546 IBFNFKSFSBTEKT-GFCCVEGCSA-N 364.536 4.355 0 40 FIAB COc1ccccc1[C@H]1c2cc3c(cc2O[C@H](N2CCCC2)[C@H]1C)OCO3 31860838 GUTQDDXXUDZPIR-RWGOJESNSA-N 367.445 4.006 0 40 FIAB O=C(NCCCN1CCc2ccccc2C1)c1cccc(Cl)c1Cl 32398879 LRMXVODIUCNQFK-UHFFFAOYSA-N 363.288 4.172 0 40 FIAB Cc1ccc(Sc2ccc(NC(=O)CNC(=O)[C@@H]3C[C@H]3C)cc2)cc1C 36754819 XIHBNVBXBLVSNP-DNVCBOLYSA-N 368.502 4.165 0 40 FIAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cnc(-c2ccccc2)s1 40108757 NAKRXLZLTVNHSM-MRXNPFEDSA-N 363.486 4.066 0 40 FIAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2nc3ccccc3s2)C1 40141396 FCIAEOKDTCTLRE-GFCCVEGCSA-N 372.881 4.200 0 40 FIAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COCC(c1ccccc1)c1ccccc1 40373070 IDMDYWOMAWKGAQ-VIZSFHNOSA-N 367.533 4.459 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 40844789 JTKOLJWMBAYAOY-UHFFFAOYSA-N 355.434 4.278 0 40 FIAB CCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078743 JQCPYSFGTTWFRE-UHFFFAOYSA-N 356.853 4.073 0 40 FIAB CN1CCC(CNC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 58171578 CNONVWYNJIIUGC-UHFFFAOYSA-N 366.383 4.037 0 40 FIAB CC(C)[C@@H](Sc1nnc(-c2ccc3ccccc3c2)o1)C(=O)N(C)C 58194887 YAZJFMAPHHVXNS-MRXNPFEDSA-N 355.463 4.095 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=S)Nc1ccccc1 78579062 AODMEMTTZHZAOF-UHFFFAOYSA-N 358.854 4.219 0 40 FIAB COCCn1c(C(=O)N2CCCC2)cc2c1c1ccccc1n2C(C)C 96146356 SYHCNERYYHWVDG-UHFFFAOYSA-N 353.466 4.059 0 40 FIAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3onc(C)c32)c(OC)c1OC 102727477 HMYFXOXBDGCRGZ-INIZCTEOSA-N 370.405 4.223 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccccc2F)c1C 219575914 XCQJZDMBCPMBAL-QGZVFWFLSA-N 359.397 4.107 0 40 FIAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 222712909 WIGKCGDRUCCMSN-SJLPKXTDSA-N 369.461 4.109 0 40 FIAB CC(C)Sc1nnc(NC(=O)[C@@H](C)SCc2ccccc2)s1 222780995 JOHUECXHNVKWDC-LLVKDONJSA-N 353.538 4.299 0 40 FIAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 223441521 ILDCWVFGMQUSBZ-UHFFFAOYSA-N 374.940 4.198 0 40 FIAB CC(C)(C)c1ccccc1OCCNC(=O)COc1cccc(Cl)c1 223731564 KLIASPHVWZOGEM-UHFFFAOYSA-N 361.869 4.212 0 40 FIAB Cc1ccccc1O[C@@H](C)C(=O)NCc1cccc(CN2CCCCC2)c1 224681753 NAUMZSJGVCJXIQ-IBGZPJMESA-N 366.505 4.065 0 40 FIAB COc1cccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c1OC 225048194 XAZRACNRGNPOPU-UHFFFAOYSA-N 361.397 4.187 0 40 FIAB Cc1ccccc1[C@@H](C)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 225118750 UUVNOPPDENXJAU-VKZJTJHYSA-N 374.440 4.236 0 40 FIAB CC(C)C(=O)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225257209 XERFIQMWCBRZHS-MHWRWJLKSA-N 359.520 4.285 0 40 FIAB CCCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)s1 225536553 IUQWJQQEEGRMDV-CYBMUJFWSA-N 365.524 4.453 0 40 FIAB COc1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1C 225744480 GKGIICAXQGXQIZ-UHFFFAOYSA-N 351.368 4.271 0 40 FIAB Cc1cc(C)cc(C2(CNC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)CCOCC2)c1 247860883 GCTUTPYSXRQPAG-HLAWJBBLSA-N 365.517 4.070 0 40 FIAB CC(C)C(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](Cc4ccccc4)OCC[C@@]31C2 257224615 FCOUMJUSTFIZMG-HFEVTZJPSA-N 355.522 4.211 0 40 FIAB Cc1cc([C@H]2CCCCN2Cc2nccs2)nc(-c2c(C)noc2C)n1 257291548 QHMOSHHPAKJGIK-MRXNPFEDSA-N 369.494 4.241 0 40 FIAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 408801268 UNWQDWQFICNQRC-UHFFFAOYSA-N 364.450 4.248 0 40 FIAB O=C([C@@H]1C[C@H]1C1CCC1)N1CCC(c2nc(C(F)(F)F)cs2)CC1 583325286 GXPMOJJBDYYRNA-QWHCGFSZSA-N 358.429 4.304 0 40 FIAB CCC[C@]1(CO)CCN(C(=O)c2ccccc2Oc2cccc(C)c2)C1 585085167 PKCNIOHLPSSFCU-QFIPXVFZSA-N 353.462 4.412 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc(Nc2cccnc2)cc1 1136134743 AFCGHNZPHUDEFU-UHFFFAOYSA-N 355.401 4.263 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@H](O)c1cc(-c2ccco2)cs1 1775967913 GFJHSBWKMCYCBD-HNNXBMFYSA-N 361.850 4.054 0 40 FIAB Cc1cc2c3c(c1)C(CN1c4ccccc4C[C@@H]1C)=CC(C)(C)N3C(=O)C2=O 1857657208 KKZMJSFSTCKQNA-HNNXBMFYSA-N 372.468 4.151 0 40 FIAB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccccc2Cl)NC(=O)N1 641384 KGAZVYFLTALHAJ-GOSISDBHSA-N 369.852 4.223 0 40 FIAB Cc1cc(C)c(OCC(=O)Nc2ccc(F)cc2)c(Br)c1 668810 DIRYIZKLVMWFHC-UHFFFAOYSA-N 352.203 4.223 0 40 FIAB Cc1sc2ncnc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1C 781911 YUMRPKKSQRWAPL-NSHDSACASA-N 369.515 4.378 0 40 FIAB Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2cccs2)c1 1377863 RANWOBBCXMYUCK-RTBURBONSA-N 354.519 4.372 0 40 FIAB C[C@@H](Sc1nnc2ccc3ccccc3n12)C(=O)Nc1ccc(F)cc1 1924312 KTONGKUUUNUJOZ-GFCCVEGCSA-N 366.421 4.141 0 40 FIAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2158707 GHBABYDCQLXLTJ-MOPGFXCFSA-N 371.502 4.224 0 40 FIAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=S)Nc1ccc(F)cc1 2331421 FYYTZCLAIVZDJE-UHFFFAOYSA-N 357.410 4.211 0 40 FIAB O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(F)cc1)CCS2 2459499 GYWOUTMBVHYRBB-UHFFFAOYSA-N 370.474 4.312 0 40 FIAB CCCCn1nc(NC(=O)c2ccccn2)c2cc3cc(C)ccc3nc21 2605663 SJFQXPDQYPEXKB-UHFFFAOYSA-N 359.433 4.340 0 40 FIAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1ccc(Cl)c(Cl)c1 2655401 URYARYPWBBOBPJ-ZZXKWVIFSA-N 351.185 4.479 0 40 FIAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 3328575 ZIUSHIZMMBHTOX-UHFFFAOYSA-N 358.869 4.393 0 40 FIAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc(Cl)cc(Cl)c1 3361668 GPKMNJOEMHLJOL-UHFFFAOYSA-N 364.228 4.130 0 40 FIAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(C)cc1 4741183 VAASVKCNPBSVJZ-OAHLLOKOSA-N 356.491 4.401 0 40 FIAB CCc1cc2cc(OC)ccc2nc1SCC(=O)NCc1cccs1 4849368 XILGYQAXGLFZGG-UHFFFAOYSA-N 372.515 4.276 0 40 FIAB COc1cccc(CNC[C@@H]2CCCO2)c1OCc1ccccc1Cl 5019676 JACSZQORJLRLOR-KRWDZBQOSA-N 361.869 4.196 0 40 FIAB CC1(C)Cc2nc(-c3ccccc3)nc(SCCN3CCCC3)c2CO1 5321975 ZEOVTTZIFANIEI-UHFFFAOYSA-N 369.534 4.183 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 6022745 FYYYYHLWCWTZPA-UHFFFAOYSA-N 365.454 4.281 0 40 FIAB COc1ccc(CNC(=O)c2c(-n3cccc3)sc3c2CCCC3)cc1 6509764 UPBPXYVYOBBNRU-UHFFFAOYSA-N 366.486 4.356 0 40 FIAB Fc1ccc(COc2ccc(Cl)cc2CNn2cn[nH]c2=S)cc1 7602597 GCEKXPOVKNYAQB-UHFFFAOYSA-N 364.833 4.056 0 40 FIAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(F)cc1Cl 7725830 ZKLZZXZJKQVYCY-UHFFFAOYSA-N 362.788 4.306 0 40 FIAB Cc1ccn2c(NC(=O)CCc3c(C)noc3C)c(-c3ccccc3)nc2c1 8012909 XWXVKHYPLLOMDP-UHFFFAOYSA-N 374.444 4.486 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8495597 ABDNPLZLXIZFGW-QGZVFWFLSA-N 368.477 4.191 0 40 FIAB Cc1cc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)no1 8707845 KRXJMXYLJFYXJK-UHFFFAOYSA-N 362.458 4.447 0 40 FIAB Brc1ccc([C@@H]2C=C(c3ccccc3)N=C3NN=NN32)cc1 9332057 SCWQNZOAPLOQMI-HNNXBMFYSA-N 354.211 4.088 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc(Cl)nc3ccccc23)cc1F 9578909 JFONDFLMCAASFX-UHFFFAOYSA-N 358.800 4.308 0 40 FIAB CC(C)n1ncc2c(C(=O)N(C)Cc3cccs3)cc(C3CC3)nc21 9607964 ZFZPKEHDDXZSGS-UHFFFAOYSA-N 354.479 4.223 0 40 FIAB Cc1ccccc1-c1noc(-c2nnn(-c3ccc(F)c(Cl)c3)c2C)n1 10273383 LWECOHHOUIMABW-UHFFFAOYSA-N 369.787 4.394 0 40 FIAB C[S@](=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 10372528 LTWDKCJFEOEEFU-IVCQMTBJSA-N 370.499 4.011 0 40 FIAB Cc1ccc(OCC(=O)NCc2cccc(Cl)c2)c2c1[C@@H](C)CC2=O 11052669 WACVKBOOSVHRAX-ZDUSSCGKSA-N 357.837 4.034 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)c(OC)c1 11916871 LTAFSCBIOKTMBS-UHFFFAOYSA-N 356.353 4.059 0 40 FIAB COc1ccc(Cc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OC 12774291 PEBOFVOQTISSSE-UHFFFAOYSA-N 353.443 4.353 0 40 FIAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(Cl)cc1Cl 12995559 AMAQQTGLNMAZPO-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 14862038 UPTUNDFSGWRVKW-UHFFFAOYSA-N 370.412 4.441 0 40 FIAB O=C(COc1ccccc1Cl)NCc1csc(-c2ccccc2)n1 15832338 RAMOHJSQQDWKSJ-UHFFFAOYSA-N 358.850 4.159 0 40 FIAB O=C(c1ccccc1)[C@]12COc3ccccc3[C@@H]1ON=C2c1ccccc1 17140034 HFGZVHAAUBYIRX-XZOQPEGZSA-N 355.393 4.424 0 40 FIAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 20112296 VJLDJIIGARXREO-MRXNPFEDSA-N 355.434 4.358 0 40 FIAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCC(C)C 20491174 CDVALCJYLIQWDJ-IBGZPJMESA-N 368.477 4.177 0 40 FIAB COc1ccc([C@H]2CC(=O)c3cnn(-c4ccc(C)cc4)c3C2)cc1OC 20632963 OQDHOLRLXOOCAZ-MRXNPFEDSA-N 362.429 4.111 0 40 FIAB CCCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O 24044694 IXCYZLMKJZJOAA-LBPRGKRZSA-N 372.494 4.340 0 40 FIAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H]1CCc2ccccc21 24757791 JZTHDLIFBQZNPF-GUYCJALGSA-N 358.869 4.261 0 40 FIAB COc1cccc([C@H]2CCCN2C(=O)c2ccc3cc(OC)ccc3n2)c1 25068389 CZCNDLBYFRTNQN-OAQYLSRUSA-N 362.429 4.229 0 40 FIAB CC(C)C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccc(F)cc1 28047984 DGWGHQIAABREGO-SFHVURJKSA-N 360.816 4.005 0 40 FIAB Cc1cc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc32)no1 29121965 CWJCWAYPLHCDKP-UHFFFAOYSA-N 366.808 4.292 0 40 FIAB COc1ccc2cc(CNCc3ccccc3Cn3ccnc3)ccc2c1 30651826 RYEHULZPWFJIBZ-UHFFFAOYSA-N 357.457 4.383 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1 30863908 VCMQDMRLPUPGTH-UHFFFAOYSA-N 374.481 4.228 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN1C(=O)NC1CCCCC1 35289578 IOWFNODGBBNLDV-FQEVSTJZSA-N 365.477 4.285 0 40 FIAB CC[C@H]1CCCCN1S(=O)(=O)c1cc(Br)ccc1Cl 36636356 ZUYSNMNBHNSARK-NSHDSACASA-N 366.708 4.056 0 40 FIAB COc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 39761710 ISWKAVDALQJKHT-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)s1 39989149 JFXBESWVYYVCNL-LBPRGKRZSA-N 351.497 4.063 0 40 FIAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccccc2OC)cn1 40090797 BUTKJFVEDWEDRZ-UHFFFAOYSA-N 364.401 4.452 0 40 FIAB O=C(CCNC(=O)c1ccsc1)N[C@H](c1ccc(F)cc1)C1CCCC1 40117423 HEHSNFDHWBWOJF-IBGZPJMESA-N 374.481 4.055 0 40 FIAB CCN(CC)[C@H](CNC(=O)Nc1ccc(OC)c(F)c1)c1ccsc1 40121675 HRQLZOXQFWGHDF-MRXNPFEDSA-N 365.474 4.100 0 40 FIAB Cc1cc2nnc(Sc3nccc(C(F)(F)F)n3)n2c2ccccc12 43532320 RCPFLQXVTKJKAV-UHFFFAOYSA-N 361.352 4.151 0 40 FIAB C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1)c1ccccc1 44838947 GLFGYHMPROSFOG-GFCCVEGCSA-N 370.250 4.330 0 40 FIAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 44901605 SDRHIWUXVWYQHH-ZDUSSCGKSA-N 374.868 4.274 0 40 FIAB Cc1csc(COc2ccc(C(=O)Nc3ccc4cn[nH]c4c3)cc2)n1 56907743 MNRFLRLCYBZWJD-UHFFFAOYSA-N 364.430 4.159 0 40 FIAB CCn1ncc2ccc(NC(=O)c3c(-c4ccc(F)cc4)noc3C)cc21 58417506 SLAYZCVRIQSOSI-UHFFFAOYSA-N 364.380 4.411 0 40 FIAB CC(C)(C)NC(=O)c1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1 68759389 ZUXFCDLENDHRFY-INIZCTEOSA-N 356.491 4.254 0 40 FIAB O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCCCCCC1 71804988 PFBDNHOCXUFTQR-UHFFFAOYSA-N 357.429 4.489 0 40 FIAB CCOc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(Cl)c2)cc1 72328845 ABNUCJRCDBNFSL-UHFFFAOYSA-N 355.825 4.059 0 40 FIAB O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 72357817 YUQCWQHXPKKULQ-OAQYLSRUSA-N 361.420 4.184 0 40 FIAB C[C@H](Sc1nc2ccccc2n1C)C(=O)c1c(F)cc(F)cc1F 77166077 JUGFMFZICLCIMP-VIFPVBQESA-N 350.365 4.354 0 40 FIAB Cc1cc(Cl)cc2nc(SCCn3cnc4ccccc4c3=O)oc12 78814698 ICCBWKPSHGCABX-UHFFFAOYSA-N 371.849 4.292 0 40 FIAB CCOc1ccc(C(=O)N2CCC(CSCc3ccco3)CC2)cc1 85472398 JXDRZDOSGYBKSA-UHFFFAOYSA-N 359.491 4.464 0 40 FIAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2nnc(C3CC3)n2C2CC2)cc1 95939672 ZCZMLURBZZLBMN-AWNIVKPZSA-N 364.493 4.118 0 40 FIAB COc1ccc(C)cc1NC(=O)[C@H](C)n1c(-c2cccs2)n[nH]c1=S 95957171 FTEQGLQTFKEGHF-NSHDSACASA-N 374.491 4.186 0 40 FIAB COc1cccc(CN2CCC3(CC2)CCN(Cc2ccco2)CC3)c1 96047239 TTWNWJOXBGBQDX-UHFFFAOYSA-N 354.494 4.166 0 40 FIAB Cc1ccc(N2C(=O)C[C@H](Sc3nc4ccccc4o3)C2=O)cc1Cl 101726323 CVFNKHHYCDNXJJ-HNNXBMFYSA-N 372.833 4.214 0 40 FIAB aggregator O=C(NC1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 106860173 YFMDTFBYFSFHAO-JVPBZIDWSA-N 374.912 4.172 0 40 FIAB Cc1nc(N2CCC[C@@H](C)C2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 108555616 HGPQFQNQSNSMIB-YMQDBVEKSA-N 361.489 4.480 0 40 FIAB O=C1CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)ccc2N1 108690839 WPXSXXQBWHDTLM-PMACEKPBSA-N 356.425 4.467 0 40 FIAB CC[Si](CC)(CC)c1c(F)c(Br)cc(C(=O)O)c1F 196013840 LQBBJZZTWZOWEA-UHFFFAOYSA-N 351.263 4.141 0 40 FIAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(Cl)cc1 222578334 MXWCTDQJCPKEEZ-UHFFFAOYSA-N 355.800 4.175 0 40 FIAB CC[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(OC)c(OC)c1 223101339 XTWSEVSJOHUBAI-INIZCTEOSA-N 365.832 4.306 0 40 FIAB Cc1cccc(CSCC(=O)NCc2cccc(CN3CCCC3)c2)c1 224635757 PLZAGFYKAUIHIB-UHFFFAOYSA-N 368.546 4.140 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NCC(C)C 224808521 CXCDGVRQAADEHP-MRXNPFEDSA-N 373.324 4.283 0 40 FIAB Cc1ccc(-c2nnsc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 225776462 CAULOJQBNFGPLZ-HNNXBMFYSA-N 351.475 4.265 0 40 FIAB CC(C)(C)C(=O)N1CCC(c2cccc(-c3cccc(C(=O)O)c3)n2)CC1 257235276 GXDIXBQDQFPEGD-UHFFFAOYSA-N 366.461 4.199 0 40 FIAB Cc1nc2ccccc2n1C1CCN(C(=O)c2ccnc(C3CC3)c2)CC1 330086340 MCVYFJMRBYVESR-UHFFFAOYSA-N 360.461 4.094 0 40 FIAB O=C(NCc1ccnc(-c2ccncc2)c1)c1ccc(Cl)c(Cl)c1 390826251 GIOAAVGMEOBUJL-UHFFFAOYSA-N 358.228 4.380 0 40 FIAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccccc1 409111899 DAXPDYQABTTWIZ-UHFFFAOYSA-N 351.475 4.254 0 40 FIAB Cc1cc(CNC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)no1 538057187 PROYCQQPUBWFQS-UHFFFAOYSA-N 367.371 4.091 0 40 FIAB O=C(Nc1ccc(Cl)c2ccncc12)[C@@H]1CCCC[C@@H]1N1CCCC1=O 614157051 MQXFHVQWHWOWEY-KDOFPFPSSA-N 371.868 4.008 0 40 FIAB Cc1ccc(-c2nc(CN3CCC[C@@H](c4nncn4C4CC4)C3)cs2)o1 678718985 SGUUXRLYGJIBJZ-CQSZACIVSA-N 369.494 4.018 0 40 FIAB COc1cccc(/C=C\C(N)=O)c1OCc1ccc(Cl)cc1Cl 1615892570 YKDPULDSWZHTSM-VURMDHGXSA-N 352.217 4.080 0 40 FIAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Oc2ccccc2)cc1 1772714690 IYWMDICKMZDSSC-MRXNPFEDSA-N 371.433 4.389 0 40 FIAB Cc1c(OC(=O)CCCCCO)ccc2c(=O)c(-c3ccccc3)coc12 2061000596 NYBYJCZNUFFTSW-UHFFFAOYSA-N 366.413 4.227 0 40 FIAB CN(C)c1ccc2c3c(cccc13)C(=O)N(c1ccc(Cl)cc1)C2=O 702197 NOWMQLVPXMVDOD-UHFFFAOYSA-N 350.805 4.360 0 40 FIAB Nc1nc(-c2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 721186 BAARBASMVPSFBE-UHFFFAOYSA-N 361.630 4.204 0 40 FIAB Brc1ccc2nc(-c3ccccc3)c(NC[C@@H]3CCCO3)n2c1 904202 BDAKWWYMBCBZGW-HNNXBMFYSA-N 372.266 4.355 0 40 FIAB CC(C)CCOC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1 2254337 NTSJEJGGFCJCRG-WYNJXFTKSA-N 353.418 4.039 0 40 FIAB Cc1nc2oc3c(N4CCC[C@@H](C)C4)ncnc3c2c2c1COC(C)(C)C2 2437796 PMKZPCOATNBQOU-GFCCVEGCSA-N 366.465 4.167 0 40 FIAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nc3ccccc3[nH]2)cc1 2658264 KDSYGJMEYIBLHD-UHFFFAOYSA-N 362.458 4.484 0 40 FIAB O=C(OCC(=O)N1CCc2ccccc21)c1cccc(Oc2ccccc2)c1 3228083 QPZJOLOEVIXUMV-UHFFFAOYSA-N 373.408 4.225 0 40 FIAB COC(=O)c1ccc(Cl)cc1NC(=O)c1cccc(C(F)(F)F)c1 3330891 CGIDWRLIUWNNLA-UHFFFAOYSA-N 357.715 4.398 0 40 FIAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc2ccccc2cc1O 3376616 SYXWGTBELNJYFN-UHFFFAOYSA-N 363.413 4.212 0 40 FIAB C[C@H](Nc1ccccc1Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 3413874 UOSAEFPTKFBBHW-INIZCTEOSA-N 374.440 4.445 0 40 FIAB CSc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 4519856 AMANKYHJTKZXHF-UHFFFAOYSA-N 371.487 4.113 0 40 FIAB CCOc1ccc(C(=O)Nc2nnc(CC(C)(C)C)s2)cc1OCC 4590514 NSEIHFIFWRIKJY-UHFFFAOYSA-N 363.483 4.176 0 40 FIAB Cc1cc(=O)n(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c2ccccc12 5443620 ATXXZPRIZZTJII-MRXNPFEDSA-N 352.821 4.157 0 40 FIAB Cc1cc(=O)oc2cc(OC[C@@H]3CC(c4ccc(Cl)cc4)=NO3)ccc12 5577603 DHRWDWMRDVBXBM-INIZCTEOSA-N 369.804 4.327 0 40 FIAB O=C(COc1ccc(Cl)cc1Cl)OC[C@@H]1CCCN2CCCC[C@H]12 5670686 QSWYVTSVHDNZFA-XJKSGUPXSA-N 372.292 4.180 0 40 FIAB biogenic,in-vitro O=C(/C=C/c1ccc2ccccc2n1)OCCCOc1ccc(F)cc1 6558023 UVGZSOUUCCRWDG-JLHYYAGUSA-N 351.377 4.399 0 40 FIAB CCCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 6657334 CPMBPYXFBWCZOS-MHWRWJLKSA-N 371.414 4.400 0 40 FIAB Cc1ccc2cc(Cn3ncc(Cl)c(Cl)c3=O)c(Cl)nc2c1C 7158880 BPUDBRLMQOPKRB-UHFFFAOYSA-N 368.651 4.417 0 40 FIAB COC(=O)c1ccc(C)c(NC(=O)CSCc2cc(C)cc(C)c2)c1 7208988 UFETUJIIWOLIHT-UHFFFAOYSA-N 357.475 4.270 0 40 FIAB CCCNC(=O)CSc1nnc(SCc2cc(C)ccc2C)s1 7290061 OSSOBUJIHFPKFI-UHFFFAOYSA-N 367.565 4.066 0 40 FIAB O=C(NC1CCCCCC1)c1ccccc1OCc1cn2ccccc2n1 7318919 AWXQEEFWEBXRBE-UHFFFAOYSA-N 363.461 4.366 0 40 FIAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C 7637762 YMXCCYFCTOBMBQ-UHFFFAOYSA-N 370.880 4.448 0 40 FIAB CC(C)N(C(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccccc1 7851246 NPSDGIMJFKZAMN-UHFFFAOYSA-N 356.495 4.024 0 40 FIAB CCc1ccccc1N1C[C@H](C(=O)Nc2cccc3ccccc23)CC1=O 7881957 SWMWNBIFWODGCS-GOSISDBHSA-N 358.441 4.394 0 40 FIAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)C)cc2)CC1=O 7929309 PCXKSWAKCQYOSD-MRXNPFEDSA-N 351.446 4.251 0 40 FIAB O=C(CNc1cccc(Br)c1)Nc1ccccc1OC(F)F 7953274 QQTONEGMKZOIQZ-UHFFFAOYSA-N 371.181 4.101 0 40 FIAB S=c1n(CN2CC=C(c3ccccc3)CC2)nc(C2CC2)n1C1CC1 8106068 RHDICCISCCKNBU-UHFFFAOYSA-N 352.507 4.373 0 40 FIAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1C(=O)c1ccccc1 8388763 HVJZJYFKPWPYQA-UHFFFAOYSA-N 368.436 4.371 0 40 FIAB Cc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCO4)cs2)c1 8776265 ILKPATQJAODALW-UHFFFAOYSA-N 352.415 4.028 0 40 FIAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3ccc4ccccc4n23)cc1 8845911 LABUCPHSUDZGSI-CQSZACIVSA-N 362.458 4.310 0 40 FIAB Cc1ccccc1NC(=O)Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S 9604251 LEZNJSFTJBHQIB-UHFFFAOYSA-N 358.854 4.208 0 40 FIAB CCOc1ccccc1CCCNC(=O)CSCc1ccccc1C 10110866 DVQIGTXBRNFXDA-UHFFFAOYSA-N 357.519 4.376 0 40 FIAB CSc1ccc(CC(=O)Nc2nc3c(F)cc(F)cc3s2)cc1 10252401 DTULUEATITWOFK-UHFFFAOYSA-N 350.415 4.478 0 40 FIAB CCOc1ccc([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 10674876 STHSKDSAOKVOQQ-NSHDSACASA-N 374.289 4.432 0 40 FIAB CC(C)[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1cccs1 12148567 AFFQUFYKUVORLV-MRXNPFEDSA-N 360.870 4.109 0 40 FIAB COC(=O)c1cc2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc2o1 12544122 DWMDOTQMBYTQQP-UHFFFAOYSA-N 351.280 4.309 0 40 FIAB Cc1cc(-c2csc(NC(=O)c3ccoc3)n2)c(C)n1C[C@H]1CCCO1 12623683 AZCAEPUNZKJFDT-OAHLLOKOSA-N 371.462 4.253 0 40 FIAB Cc1sc2ncn(C[C@H](O)c3ccccc3)c(=O)c2c1-c1ccccc1 14017418 HVNGQWJBMCKDEY-KRWDZBQOSA-N 362.454 4.167 0 40 FIAB CCN(CC)Cc1ccc(CNCc2c[nH]nc2-c2ccc(F)cc2)cc1 14095925 FRSYULQDSIUYTH-UHFFFAOYSA-N 366.484 4.347 0 40 FIAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1 14256619 BZXNLYDTCAEQPF-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB CC(=O)N1CCc2cc(NC(=O)COc3cc(C(C)C)ccc3C)ccc21 14280751 XFDNFFKTPCEWLR-UHFFFAOYSA-N 366.461 4.045 0 40 FIAB CN(Cc1csc(-c2cccs2)n1)C[C@@H]1COc2ccccc2O1 15297089 IHRSTZXUFWQOOA-CQSZACIVSA-N 358.488 4.143 0 40 FIAB COc1ccc(Cl)c(N/C=C/c2nnnn2-c2ccc(Cl)cc2)c1 16215311 GABDITCYDNYQMB-CMDGGOBGSA-N 362.220 4.061 0 40 FIAB Cc1cccc(O[C@@H](C)c2nn3c(=O)c4ccccc4nc3s2)c1C 17072916 DVFLFULLZFZPFE-ZDUSSCGKSA-N 351.431 4.061 0 40 FIAB CC(C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 17074081 YCGZSHMJRATYER-UHFFFAOYSA-N 359.381 4.206 0 40 FIAB CCc1cc2c(=O)n(-c3cc(C(C)(C)C)ccc3O)c(S)nc2s1 17074313 XFSANNLXDZTTED-UHFFFAOYSA-N 360.504 4.301 0 40 FIAB CCCNc1nnc(SCc2cc(C(C)=O)ccc2OCC)s1 19298699 LMUPKCNMYBAIEH-UHFFFAOYSA-N 351.497 4.254 0 40 FIAB CC(C)C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(Cl)cc1 19690184 KQNIHIJMHMEWKT-QGZVFWFLSA-N 372.900 4.183 0 40 FIAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)c(C)c1 20461015 SQJZLMDJBHHIDF-MRXNPFEDSA-N 355.434 4.195 0 40 FIAB Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1C(F)(F)F 20582194 DBNQNVSDWYGKKB-UHFFFAOYSA-N 371.322 4.312 0 40 FIAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)ccc1O 20915782 DIILQXXYLWMDEL-JOCHJYFZSA-N 374.440 4.476 0 40 FIAB Nc1cc(N)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 21004730 UPHBAINEOCHBNU-UHFFFAOYSA-N 360.442 4.380 0 40 FIAB CN(Cc1ccccc1)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 21596711 MOGGNCLWMNMRSJ-UHFFFAOYSA-N 369.852 4.371 0 40 FIAB Cc1cc(C)c(Nc2nc(=O)c(Cc3ccccc3Cl)n[nH]2)c(C)c1 22409252 OUZJHRVWAOATCH-UHFFFAOYSA-N 354.841 4.078 0 40 FIAB COC(=O)c1cccc(CSCC(=O)N2c3ccccc3CC[C@H]2C)c1 22816216 DCYAAYLRIJPIMT-OAHLLOKOSA-N 369.486 4.074 0 40 FIAB Cn1ccnc1[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 24867727 WIFSAALDFIKWSV-MRXNPFEDSA-N 360.244 4.246 0 40 FIAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1ccnc(Cl)c1 25385060 OXOMTNDWYCPBLY-UHFFFAOYSA-N 358.806 4.268 0 40 FIAB FC(F)(F)c1ccnc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)n1 25578120 MRRVUUVWVFMTMF-HNNXBMFYSA-N 373.382 4.230 0 40 FIAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 27793100 PAOGETRXILQXDJ-HXUWFJFHSA-N 356.897 4.144 0 40 FIAB Cc1ccsc1CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 28324298 BZYQJNPRRNMJHV-UHFFFAOYSA-N 369.817 4.207 0 40 FIAB O=C(Nc1ccc(-n2cccn2)nc1)c1sc2ccccc2c1Cl 29195940 VYELEQNQQHXOJF-UHFFFAOYSA-N 354.822 4.388 0 40 FIAB C[C@@H]1Cc2ccccc2N1C(=O)CCCc1nc(-c2cccs2)no1 31662655 IYEMXLVKNPOQMQ-CYBMUJFWSA-N 353.447 4.099 0 40 FIAB C[C@H](NC(=O)COc1cnc(-c2ccccc2)nc1)c1cc2ccccc2o1 31785174 GRLQWBBDLSSPLL-HNNXBMFYSA-N 373.412 4.146 0 40 FIAB O=C(Nc1ccc(-n2ccnc2)nc1)C1(c2cccc(Cl)c2)CCCC1 32160513 GYMWCTMASPFRQU-UHFFFAOYSA-N 366.852 4.371 0 40 FIAB Cc1ccccc1OCc1ccc(C(=O)Nc2nc3ccccc3n2C)o1 32610767 HKRFPDLHNAEHAI-UHFFFAOYSA-N 361.401 4.306 0 40 FIAB CCOCc1c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)oc2ccccc12 32738335 QGNBGJGRZQIFQO-CYBMUJFWSA-N 363.417 4.337 0 40 FIAB Cc1ccc2[nH]cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)c2c1 35848118 NDWLFOSJWRZDNH-UHFFFAOYSA-N 367.880 4.135 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(F)cc2)c1OC 36360759 INHXJLNLWPFGIG-OAHLLOKOSA-N 367.380 4.152 0 40 FIAB COc1cc(C)c([C@@H](C)NC(=O)c2cc(Cl)ccc2F)cc1OC 36394090 HBEPMGGKEHMWTM-LLVKDONJSA-N 351.805 4.296 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccccc2OC(F)F)cc1 36633479 KYPMQFULWSLPCE-UHFFFAOYSA-N 357.360 4.343 0 40 FIAB O=S(=O)(Nc1cccc2c1CCCC2)c1cccc(Br)c1 37385923 CGUJDCMYSCAZSA-UHFFFAOYSA-N 366.280 4.129 0 40 FIAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NC(C)C)c1 41890262 ISUSVHASLCIKPW-UHFFFAOYSA-N 356.491 4.005 0 40 FIAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 45462658 ZWDNPJZSPBPVCJ-AWEZNQCLSA-N 371.447 4.186 0 40 FIAB CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1 48066172 GLRLBWHKOTWJET-YGLIYXGISA-N 356.397 4.285 0 40 FIAB CCOc1ccc(Cl)cc1NC(=O)C[C@](C)(C(=O)O)c1ccccc1 48382481 ZYVOZCIDTKRLOY-IBGZPJMESA-N 361.825 4.110 0 40 FIAB Cc1cccc(Nc2nc(CC(=O)N[C@@H](C)c3ccccc3)cs2)n1 49029582 AFLHQKFCAUAZBN-AWEZNQCLSA-N 352.463 4.010 0 40 FIAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1ccc(O)c(Cl)c1 60473735 AJLQOIMTZZTODQ-HNNXBMFYSA-N 367.779 4.454 0 40 FIAB CCN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809943 YUQPUHUDGCDTKU-UHFFFAOYSA-N 373.865 4.314 0 40 FIAB CC(C)(C)c1cc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)[nH]n1 75106522 VRPWWFFYXYGBNP-KRWDZBQOSA-N 367.493 4.365 0 40 FIAB Cc1cc2nc3c(nc2cc1C)[C@@]1(C(=O)NC(C)C)CC[C@@]3(C)C1(C)C 100944843 DFBZDTHKHYLLKA-FGZHOGPDSA-N 351.494 4.100 0 40 FIAB Fc1ccc(C2=C[C@@H](c3ccc(Cl)c(Cl)c3)n3nnnc3N2)cc1 102175049 BCZQDSVMIRBDSI-HNNXBMFYSA-N 362.195 4.175 0 40 FIAB COc1ccccc1-c1noc(-c2cnn(-c3ccc(F)cc3)c2C)n1 109455068 KBEMDPDIOSNOGK-UHFFFAOYSA-N 350.353 4.045 0 40 FIAB COc1ccc(CCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 216334270 LNFDLHLEOFHHBR-SFHVURJKSA-N 355.478 4.137 0 40 FIAB Cc1cc(F)ccc1S(=O)(=O)N1CCS[C@@H](c2cccs2)CC1 219559357 MZGCZKUEAYMHSA-OAHLLOKOSA-N 371.524 4.065 0 40 FIAB CCOc1ccc(CNC(=O)COc2ccccc2C(C)C)cc1OCC 222808249 SLDTZQGMZJJVHW-UHFFFAOYSA-N 371.477 4.303 0 40 FIAB CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 222866831 RXERFMVOMMZRBU-RBUKOAKNSA-N 369.461 4.271 0 40 FIAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOCc1ccccc1 224128997 KUJDVPFHVJNOBN-KRWDZBQOSA-N 355.478 4.084 0 40 FIAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1C 224655069 PXLNIZPMZUZMRZ-UHFFFAOYSA-N 360.262 4.136 0 40 FIAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(C(=O)OC)c1 225242656 XZFKATLVNQUSDQ-FQEVSTJZSA-N 367.445 4.148 0 40 FIAB C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 527876970 WYBNSBNSTFMIEJ-CWTRNNRKSA-N 356.832 4.398 0 40 FIAB CC1(C)CN(C(=O)NCc2ncoc2-c2ccccc2)[C@H]1c1ccncc1 562666890 ZTIHJACDOYIEII-IBGZPJMESA-N 362.433 4.029 0 40 FIAB COc1ccc2c(c1)CCC[C@H]2N(C)CC1CCN(C(=O)CC(C)C)CC1 585080493 IMTMDDZGUDBNGC-JOCHJYFZSA-N 372.553 4.289 0 40 FIAB C[C@@H](NCc1cn2ccc(Br)cc2n1)C1CCC(F)CC1 657745800 YIGQSRVQMMTGPY-LKSINWNRSA-N 354.267 4.103 0 40 FIAB Cn1cc(-c2ccc(CCNC(=O)Cc3cccc4ccccc34)cc2)cn1 1889292225 OTINPTXOKZWIEE-UHFFFAOYSA-N 369.468 4.142 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCC(COc2ccncc2Cl)CC1 1890165526 VLZPTPFHLXWGOF-UHFFFAOYSA-N 363.820 4.197 0 40 FIAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1 689191 GGZFZPYLZIENHP-UHFFFAOYSA-N 360.385 4.414 0 40 FIAB O=C(Nc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(F)cc1 970413 UMFCDXRRLQDGTB-UHFFFAOYSA-N 352.340 4.469 0 40 FIAB COc1cccc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)c1 993032 ZXCLEGWVOJVWPE-UHFFFAOYSA-N 361.397 4.209 0 40 FIAB COc1cccc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 1018194 ZGYNCEQDGFNEHW-UHFFFAOYSA-N 356.838 4.106 0 40 FIAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 1030482 DUXKAAOUHGRUMY-LLVKDONJSA-N 355.265 4.113 0 40 FIAB CCOc1ccc(N[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)cc1 1446736 CSOGZJSTAARVPV-LBPRGKRZSA-N 367.704 4.356 0 40 FIAB O=C(O[C@@]1(c2ccccc2)OCCN[C@H]1c1ccccc1)c1ccccc1 1666036 OXGXVNCQHVJYIF-JTHBVZDNSA-N 359.425 4.058 0 40 FIAB O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1C(F)(F)F 1936075 BVKVXDYFHNWZPB-UHFFFAOYSA-N 357.715 4.154 0 40 FIAB COc1ccc2c(Cl)c(C(=O)NC[C@@H]3CCCO3)sc2c1Cl 2627254 DZLICXXRCLRGEG-QMMMGPOBSA-N 360.262 4.126 0 40 FIAB C[C@H]1CCCCN1C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 2655860 FGDOTRXEJQWUGL-HNNXBMFYSA-N 363.885 4.096 0 40 FIAB CC(C)c1ccccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1 2887351 YQCFBBCFHMETTK-UHFFFAOYSA-N 360.454 4.260 0 40 FIAB CCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 3136018 WVFNXVDFTHTFPU-UHFFFAOYSA-N 350.374 4.079 0 40 FIAB CCOc1ccc(C(=O)COC(=O)c2c(-c3ccccc3)noc2C)cc1 4580609 RAPXDPBLURCSLE-UHFFFAOYSA-N 365.385 4.088 0 40 FIAB CCOc1ccc2ccccc2c1CNCCCSc1ncccn1 4984130 GVQDHSMSIMJGSO-UHFFFAOYSA-N 353.491 4.301 0 40 FIAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(C)s1 5506456 WDBHIAZEPMUHOJ-UHFFFAOYSA-N 361.463 4.158 0 40 FIAB Cc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2C)n1 6139988 GMNZFSIJJZNCGF-UHFFFAOYSA-N 363.446 4.133 0 40 FIAB COc1cc(CC(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC 6152119 WPMLLYVASLAOJF-UHFFFAOYSA-N 370.232 4.200 0 40 FIAB O=S(=O)(c1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl 6786771 LRCHLQZROFYENK-UHFFFAOYSA-N 361.850 4.324 0 40 FIAB CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N/c1ccc(OC)cc1 6954461 PZKZGTWJXMDMIB-KXNKKEQVSA-N 368.458 4.328 0 40 FIAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c(C)o1 7746804 STTAPQWBQHNFRP-UHFFFAOYSA-N 365.385 4.484 0 40 FIAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cc1ccc(Br)cc1 7778049 UKBDGLDNWNQVOU-JTQLQIEISA-N 364.205 4.181 0 40 FIAB CC(C)[C@@H](NC(=O)C1(c2ccccc2)CC1)c1ccc2c(c1)OCCCO2 7985508 IZDSWLNNNFLRLH-OAQYLSRUSA-N 365.473 4.393 0 40 FIAB O=C(CCOc1ccccc1)Nc1nnc(SCc2ccccc2)s1 8327753 MXTDNZFHSIGKTN-UHFFFAOYSA-N 371.487 4.238 0 40 FIAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(F)cc1Cl 8757289 PTMJNFVOWMHMOE-UHFFFAOYSA-N 353.649 4.356 0 40 FIAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(C)c(C(F)(F)F)c2)cc1 8761925 SPHQXGZDBLTAIW-UHFFFAOYSA-N 350.340 4.153 0 40 FIAB Cc1c(Cl)cccc1Nc1nc(=O)c(Cc2ccc(Cl)cc2)n[nH]1 8769990 MMULQPSGSYDWCJ-UHFFFAOYSA-N 361.232 4.115 0 40 FIAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(OC)cc1 9075824 FALFDVUJCCWQIW-UHFFFAOYSA-N 364.445 4.178 0 40 FIAB CC(C)[C@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccc2c(c1)OCCO2 9792381 XVMRCJSQSBFQJV-YWZLYKJASA-N 354.450 4.215 0 40 FIAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1 10110360 HLJWGBGQLNMDHF-UHFFFAOYSA-N 358.290 4.046 0 40 FIAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2OC[C@@H]2CCCO2)c1 10156047 BRDBQQQWVMSBJB-MSOLQXFVSA-N 369.461 4.267 0 40 FIAB O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2ccccn2)C1=O 11334738 ZJVOULRYWRDOJN-HNNXBMFYSA-N 360.866 4.049 0 40 FIAB COc1cccc(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 11562233 YSOPQDQVUQMLCT-UHFFFAOYSA-N 368.355 4.096 0 40 FIAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 12525144 UGZRTLHJYRIPNP-KRWDZBQOSA-N 363.461 4.252 0 40 FIAB CSCc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)o1 12553404 QDESZVDTMKLVIL-JHJVBQTASA-N 358.529 4.029 0 40 FIAB CC(C)OC(=O)c1ccc(NC(=O)CN[C@H](C)c2ccccc2Cl)cc1 13040162 FSYIJASDJZKWII-CQSZACIVSA-N 374.868 4.195 0 40 FIAB O=c1c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2nc2n1CCC2 13690295 KNVAJIAGZYIJNT-UHFFFAOYSA-N 361.228 4.229 0 40 FIAB CCCCN(CCCC)S(=O)(=O)c1ccc(Br)s1 13939989 HKFLSBVPEGYODE-UHFFFAOYSA-N 354.335 4.102 0 40 FIAB Fc1cccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)c1 15109827 YTIMWJZXGFQIIZ-UHFFFAOYSA-N 354.454 4.460 0 40 FIAB CCCN(CCC)C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21 15831906 YEGGSRCZLBAGLO-UHFFFAOYSA-N 370.541 4.061 0 40 FIAB O=C(c1cccs1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 16014719 HQSOCYNIDNZZCM-UHFFFAOYSA-N 359.838 4.256 0 40 FIAB COc1ccc(C(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1F 16277027 JYTWHTBTVBUJPW-UHFFFAOYSA-N 368.433 4.469 0 40 FIAB Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2nc3ccc(F)cc3s2)n1 16851135 BHLUJZZTKLJLCH-UHFFFAOYSA-N 370.384 4.321 0 40 FIAB COc1cc(C)c(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1OC 18823313 SEKRJEXOWOMWAS-UHFFFAOYSA-N 367.445 4.103 0 40 FIAB Cc1ccccc1C(=O)N[C@H](C)Cn1c(C(F)(F)F)cc2cccnc21 19236897 SOYQZJFXNFIDBZ-CYBMUJFWSA-N 361.367 4.182 0 40 FIAB CCC(CC)C(=O)N1CCC[C@@H]1c1nc(C)ncc1-c1onc(C)c1C 19500160 JBDAYQLUNFAJQJ-QGZVFWFLSA-N 356.470 4.157 0 40 FIAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(Cl)c1 20138069 PQBVQRJQPYIFLF-UHFFFAOYSA-N 357.793 4.353 0 40 FIAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc2ccccc12 20138906 RHUSYKOOMRTPOI-UHFFFAOYSA-N 355.777 4.452 0 40 FIAB Cc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)Nc3ccc(C)cc32)c(C)c1 20737354 IPKCCVNZPKWTIP-JOCHJYFZSA-N 372.428 4.027 0 40 FIAB CC(C)[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccs1 21494606 QFAZRYKTUVYSAD-QGZVFWFLSA-N 357.504 4.323 0 40 FIAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)c1cccs1 21494608 QFAZRYKTUVYSAD-KRWDZBQOSA-N 357.504 4.323 0 40 FIAB c1ccc(-n2cc(CNCC3(N4CCCCC4)CCCCC3)cn2)cc1 22800563 CIEAFUZAWFMNCG-UHFFFAOYSA-N 352.526 4.151 0 40 FIAB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc2ncsc2c1 23510102 XSMZSUCWWQZDSR-UHFFFAOYSA-N 366.364 4.167 0 40 FIAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCC2)c1 27580670 QSRFTQHQIGFGRK-IBGZPJMESA-N 372.534 4.087 0 40 FIAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cn1 28644209 HQTWJDCDTBVBJH-UHFFFAOYSA-N 374.400 4.097 0 40 FIAB COC(=O)c1sc2nc(C)nc(N(C)[C@@H]3CCc4ccccc43)c2c1C 29147901 WPQGZEYQEPVZFZ-OAHLLOKOSA-N 367.474 4.218 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1)c1ccccc1 30754860 ODIRIUFTUBUWTI-RHSMWYFYSA-N 359.491 4.452 0 40 FIAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 32609734 CJOUKQJSNGRKDC-OALUTQOASA-N 363.436 4.430 0 40 FIAB COc1ccccc1-c1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)no1 32830196 JYJMBXFKZKPFSJ-GFCCVEGCSA-N 356.809 4.495 0 40 FIAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccccc3O)c12 32857908 MINPTFBIRJCDPG-UHFFFAOYSA-N 351.387 4.218 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)cc1C 32934809 WNAOWPXKQKVHHK-UHFFFAOYSA-N 368.820 4.301 0 40 FIAB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(C)c(O)c(C)c3)C2=O)c1C 34240781 POTBPQRUGJZLHF-MHWRWJLKSA-N 364.401 4.133 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CNc2ccccc2C)C1=O 34779807 JRXNEVDJDPTEHL-BOPFTXTBSA-N 354.431 4.110 0 40 FIAB O=C(Cc1cccs1)Nc1nnc(-c2cc(Cl)sc2Cl)o1 35586437 VBGLTGDLQJTUIC-UHFFFAOYSA-N 360.247 4.348 0 40 FIAB COc1cccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1OC 36359344 WYAKDISWCAWWCM-CYBMUJFWSA-N 373.478 4.274 0 40 FIAB CSc1ncc(Cl)c(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 36797583 WFYWEGZXEUQQEM-LLVKDONJSA-N 361.898 4.222 0 40 FIAB O=C(/C=C/c1nc2ccccc2o1)Nc1cc(F)c(N2CCCC2)c(F)c1 40152011 OKJWCKCZUMCDAS-BQYQJAHWSA-N 369.371 4.358 0 40 FIAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N(C)[C@H](C)c2ccc(C)cc2)c1 45719099 WMDPVNZICRDMOD-HZPDHXFCSA-N 353.466 4.417 0 40 FIAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc4ccccc4s3)c2)n1 47317470 YZSACRWYXPAEBK-UHFFFAOYSA-N 361.426 4.212 0 40 FIAB CN(C)c1nc(Cl)c(/C=C/c2cc(C(=O)O)c3ccccc3n2)s1 48333066 UYIGVULGCMYYRN-BQYQJAHWSA-N 359.838 4.279 0 40 FIAB CC(C)n1c([C@H]2CCCN2CC(=O)N2CCCCCC2)nc2ccccc21 72308897 XIVQGWALGCJJEA-HXUWFJFHSA-N 368.525 4.157 0 40 FIAB C[C@H](NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1CC1 72344535 SRIZHVZQARZTTN-AWEZNQCLSA-N 368.443 4.222 0 40 FIAB C[C@@H]1CCN(C(=O)c2ccc(OC3CCOCC3)cc2)[C@H](c2ccco2)C1 75389385 URGZTHSOSFOVDR-UZLBHIALSA-N 369.461 4.451 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)N(CCc1cccs1)Cc1ccoc1 90612327 HNCSKTQBYQVHNP-MRXNPFEDSA-N 355.459 4.380 0 40 FIAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(Br)cc1F 96171142 GAZGUTAFOKFTPJ-NSHDSACASA-N 366.296 4.083 0 40 FIAB O=c1cc(-c2ccccc2)oc2c(O)c(OCc3ccccc3)cc(O)c12 103208073 OQHAZMRRNANBMN-UHFFFAOYSA-N 360.365 4.450 0 40 FIAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 222853412 RGMPRXKNIAHLKL-UXHICEINSA-N 362.502 4.253 0 40 FIAB CC[C@@H](NC(=O)COc1ccccc1OC)c1ccc2c(c1)CCCC2 223015819 ZGZVXIGRNKTKKO-LJQANCHMSA-N 353.462 4.220 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccc2ccccc2c1 223621586 RKWUCXSVOOAQRL-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(F)cc1 224336215 WEWKNCDSDOCWKO-UHFFFAOYSA-N 355.344 4.416 0 40 FIAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NCC(C)C 224808478 CXCDGVRQAADEHP-INIZCTEOSA-N 373.324 4.283 0 40 FIAB COc1cccc(-c2cnc(CCC(=O)NCCC3=CCCCC3)o2)c1 224843061 JOFOOILIOIHALU-UHFFFAOYSA-N 354.450 4.290 0 40 FIAB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccc3ccccc3c2)CC1=O 408672627 VQYTXDVYDMONEP-LJQANCHMSA-N 359.425 4.415 0 40 FIAB CC(=O)N1CCc2c(NC(=O)CO[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cccc21 545306115 AZQRXNCDDYDCDD-QLVMHMETSA-N 372.509 4.012 0 40 FIAB COC1(COc2ccc(C)cc2C)CCN(Cc2ccc(O)cc2)CC1 585274178 TWZJAGOGMFXYEN-UHFFFAOYSA-N 355.478 4.069 0 40 FIAB CC(C)c1c(C2CC2)[nH]c2c(I)cccc2c1=O 685938711 SUNAMSWDTNSUAW-UHFFFAOYSA-N 353.203 4.134 0 40 FIAB Cc1nn(C)c(CNc2ccc(-c3cn4c(n3)CCCC4)cc2)c1Cl 1178106699 XVJWJOQQPIOUML-UHFFFAOYSA-N 355.873 4.194 0 40 FIAB CC(C)(C)c1cn2nc(C(=O)Nc3ccccc3Br)ccc2n1 1888913112 OKIXNCDCHYFUAY-UHFFFAOYSA-N 373.254 4.042 0 40 FIAB CCc1nnc(C2CCN(c3nc4c(OC)cccc4s3)CC2)s1 2086866273 ZXJLIHYYYXJWAE-UHFFFAOYSA-N 360.508 4.103 0 40 FIAB Cc1ccc(NC(=O)C2(N3C(=O)C[C@H]3c3ccco3)CCCCC2)cc1 974338 SLJDZUYXOZQVLU-KRWDZBQOSA-N 352.434 4.203 0 40 FIAB Cc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1C 3347622 GUUNSUFKFQVCAM-UHFFFAOYSA-N 353.535 4.254 0 40 FIAB CCCC(=O)Nc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 4681195 BORWDBYBIUFAPG-ACCUITESSA-N 368.433 4.094 0 40 FIAB CCOC(=O)c1ccc(OCc2cc(=O)oc3c(C)c(C)ccc23)cc1 5044653 VVQKUFIMJSXPFI-UHFFFAOYSA-N 352.386 4.166 0 40 FIAB CCCc1nc2sc3c(NCCCOC)ncnc3c2c2c1CCC2 5158181 BSXFWKTXFCTYNY-UHFFFAOYSA-N 356.495 4.129 0 40 FIAB COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O 5440365 BVNFBPKLLXMHEA-UHFFFAOYSA-N 360.413 4.228 0 40 FIAB C[C@@H](OC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N(C)c1ccccc1 5454760 RFDAKUZFDHWCFY-NOCBQHASSA-N 355.478 4.188 0 40 FIAB Clc1cccc(-c2noc(CSc3nnc(-c4ccco4)o3)n2)c1 7112523 GHCFFEWYVUJVRV-UHFFFAOYSA-N 360.782 4.325 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCc3nnc(-c4ccco4)o3)o2)c1 7159889 DRICWACSRNPDMF-UHFFFAOYSA-N 354.391 4.289 0 40 FIAB CCCc1nnc(S/C(=C\c2c(OC)ccc3ccccc23)C(=O)O)[nH]1 7342255 JJJFWINJPYDDPN-WJDWOHSUSA-N 369.446 4.137 0 40 FIAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1CCCCC1 7687948 XZJCFHJJDFMRBH-UHFFFAOYSA-N 351.472 4.488 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3ccccc3)no2)c1 7718634 CXYJHWVPEQKKKJ-SFHVURJKSA-N 365.433 4.091 0 40 FIAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1F 7988479 LEWTUGMZZVCFNJ-INIZCTEOSA-N 353.846 4.177 0 40 FIAB O=C(CCc1ccsc1)Nc1nn2cc(-c3ccccc3)nc2s1 8013517 FSPHJXKSGMFFFT-UHFFFAOYSA-N 354.460 4.091 0 40 FIAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(NC(=O)c2ccco2)cc1 9500713 ZZFQTYZOBGORQV-UHFFFAOYSA-N 366.392 4.333 0 40 FIAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCc2ccccc2C1 9646002 UDFKWFIXROIOAZ-UHFFFAOYSA-N 365.436 4.495 0 40 FIAB CC(C)c1n[nH]c(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 11386518 AYZDKQSUDNBWRC-UHFFFAOYSA-N 352.463 4.473 0 40 FIAB COc1ccccc1OCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11917905 BQXJTHQPAQUFFG-UHFFFAOYSA-N 369.417 4.144 0 40 FIAB Cc1cc(C)n(C[C@@H](O)Cn2c3c(c4cccc(Cl)c42)CCCC3)n1 12421968 OBEJGNVXOSSADB-HNNXBMFYSA-N 357.885 4.048 0 40 FIAB COc1ccc2c(C)cc(SCC(=O)NCc3ccc(F)cc3)nc2c1 12533705 KTMAAKRWVNVEIF-UHFFFAOYSA-N 370.449 4.099 0 40 FIAB CC(C)N1CCC(NC(=O)Cc2coc3ccc4ccccc4c23)CC1 12697698 BVQTVZVDOJTOHM-UHFFFAOYSA-N 350.462 4.118 0 40 FIAB Cc1nc2ccc(NC(=O)c3ccc(N4CCCCC4=O)cc3)cc2s1 12809239 XNJMPRCHJYQQLY-UHFFFAOYSA-N 365.458 4.374 0 40 FIAB O=C(c1cccc(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12813967 DAYAJRNMRUZDHZ-KRWDZBQOSA-N 357.837 4.479 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccc(NC(=O)C3CC3)cc2)o1 12824356 UJYKJECOJDXLHZ-FJKRSBDZSA-N 364.445 4.081 0 40 FIAB COc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12995296 UJYPZLYUNKDIAL-UHFFFAOYSA-N 364.426 4.495 0 40 FIAB CC(C)CCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 13018412 DMNBVXHAMGVHFU-INIZCTEOSA-N 362.489 4.009 0 40 FIAB CC[C@@H]1c2ccsc2CCN1Cc1nc(-c2ccccc2OC)no1 14158250 FZHYUFJOCSVHFP-OAHLLOKOSA-N 355.463 4.316 0 40 FIAB COc1cc(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1 15579548 DIVHMFMGGLEHOB-UHFFFAOYSA-N 369.339 4.174 0 40 FIAB C[C@@H](NC(=O)CC1CC(C)(C)NC(C)(C)C1)c1nc2ccccc2s1 19459835 XPKJWVXINALCFQ-CYBMUJFWSA-N 359.539 4.420 0 40 FIAB CCCc1ncc(CN[C@H]2[C@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]32)cn1 19525779 OAEHIPJFFLNJFH-YVNJGZBMSA-N 351.494 4.110 0 40 FIAB COc1ccc(CN(C)C(=O)c2cc3ccc(F)cc3s2)c(OC)c1 20934755 SCVNXZVJNJBVEP-UHFFFAOYSA-N 359.422 4.330 0 40 FIAB C/C=C/c1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(OC)c1 21559642 PTPZQZRUIMPWCF-QWNKOJSDSA-N 366.461 4.135 0 40 FIAB Cc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 24839159 ZNDUZKDTMGMIJY-UHFFFAOYSA-N 363.788 4.146 0 40 FIAB O=c1[nH]c(CN2CCc3ccccc32)nc2scc(-c3cccs3)c12 25499571 XQDJUQZSKDDJOR-UHFFFAOYSA-N 365.483 4.276 0 40 FIAB aggregator Fc1ccc(-c2nc(CSc3ncn(-c4ccccc4)n3)co2)cc1 25586139 ICPNQRVJCSVTRI-UHFFFAOYSA-N 352.394 4.354 0 40 FIAB CC(C)[C@@](O)(c1ccccc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 27235118 STAKUSLBPQYKBA-FGZHOGPDSA-N 373.924 4.300 0 40 FIAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 28220817 HTRMDCTWRJAVFF-INIZCTEOSA-N 358.869 4.199 0 40 FIAB O=C(Cc1csc(-c2ccsc2)n1)N(Cc1cccnc1)C1CC1 28517188 ASMWZVXTSCRJCH-UHFFFAOYSA-N 355.488 4.000 0 40 FIAB Cc1nccc(-c2cccc(NC(=O)CSCc3cccs3)c2)n1 32817479 NSHXMSCTJPEKTD-UHFFFAOYSA-N 355.488 4.385 0 40 FIAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2nsnc12 35672852 CQPBGSWNXROHDZ-GFCCVEGCSA-N 355.463 4.395 0 40 FIAB CC(C)c1ccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1 36358547 AYJQVHCTQRTQJG-HNNXBMFYSA-N 357.479 4.227 0 40 FIAB CCOC(=O)c1sc(NCC(C)C)nc1CSc1ccccn1 36615203 SBTCZDAAYJBNFA-UHFFFAOYSA-N 351.497 4.075 0 40 FIAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38848603 WCMMBMMICGFYIJ-KRWDZBQOSA-N 360.860 4.008 0 40 FIAB O=C(C[C@H]1Oc2ccccc2N=C1O)Nc1cc(Cl)ccc1Cl 40266242 AONABONJWDGSNJ-CQSZACIVSA-N 351.189 4.371 0 40 FIAB COc1cccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44839192 IVBIOQMTPPLKBQ-UHFFFAOYSA-N 357.413 4.169 0 40 FIAB CC(=O)Nc1cccc(CNCc2cn(-c3ccccc3)nc2C(C)C)c1 48712800 UMUUTGLOYFFMKE-UHFFFAOYSA-N 362.477 4.244 0 40 FIAB Cc1ccc([C@@H]2C=C(c3ccc(Br)cc3)NC(=S)N2)cc1 51329804 ZNRADJBOSZPVFQ-HNNXBMFYSA-N 359.292 4.317 0 40 FIAB Cc1nc2cc(C(=O)Nc3cccc(OCC(F)(F)F)c3)ccc2n1C 60298294 DLQLCELNISVLIF-UHFFFAOYSA-N 363.339 4.075 0 40 FIAB CCc1cccc(Oc2ccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)cn2)c1 65456645 QNMKGIIINOMTSB-HNNXBMFYSA-N 369.465 4.468 0 40 FIAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(N3CCCCC3)nc2)o1 70005777 XHBQIBBCNLQLRN-YJBOKZPZSA-N 353.466 4.360 0 40 FIAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(Cl)cc1 78578918 JEWFONQQHOLSPL-UHFFFAOYSA-N 362.216 4.316 0 40 FIAB Cc1nc2ccccc2c(=O)n1CCCC(=O)OC1CCCCCCC1 84290420 WISWLWXHPYAFNX-UHFFFAOYSA-N 356.466 4.141 0 40 FIAB C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccccc2Br)n1 89913730 LXYUNUFJSYSSSH-SECBINFHSA-N 368.231 4.085 0 40 FIAB CCN(Cc1cccs1)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C 89969338 AEHOPWLNGQSLCG-AWEZNQCLSA-N 354.516 4.036 0 40 FIAB c1ccc2c(c1)C1C[C@H](CNc3ncnc4nccnc34)C2c2ccccc21 95973294 XFAQNFPQNJPHJN-WPUWVODUSA-N 365.440 4.129 0 40 FIAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)[C@H]1CCN(Cc2ccccc2)C1 96003542 WANULFVADKJCOY-QUCCMNQESA-N 363.505 4.136 0 40 FIAB CC(C)Oc1ccc(C(=O)[C@H](C(=O)c2ccccc2)c2nccn2C)cc1 102369823 HVRBGJUZIZSHBV-IBGZPJMESA-N 362.429 4.057 0 40 FIAB C[C@@H](Nc1ncc(-c2noc(C(F)(F)F)n2)cc1Cl)c1ccncc1 205627291 PXPOKLHJJGXFKJ-MRVPVSSYSA-N 369.734 4.372 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1OCC 219540879 KYAGQNPTKGPNQT-QGZVFWFLSA-N 371.477 4.185 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)COc1ccccc1C 222969733 ZOVLKIOYAOWSJC-RBUKOAKNSA-N 355.478 4.353 0 40 FIAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCc1ccc(OC)cc1 223010422 TZWCULGGBFXDMT-LJQANCHMSA-N 361.869 4.173 0 40 FIAB COc1ccc2c(c1)N(C(=O)C(C)(C)Br)C(C)(C)C[C@@H]2C 223238694 NXPHQAXRYRBINK-NSHDSACASA-N 354.288 4.488 0 40 FIAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccn1 223521582 PPZQVSLSRBZCFO-IRXDYDNUSA-N 366.515 4.019 0 40 FIAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 224111656 JXPLTHQTGMEODC-MRXNPFEDSA-N 353.462 4.048 0 40 FIAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)c2cccnc12 225475387 ALEVEYCWSNNLOI-LBPRGKRZSA-N 355.438 4.430 0 40 FIAB O=C(NCc1cncc(-c2cccs2)c1)c1ccc(C(F)(F)F)nc1 225667064 SBMYCNKGNGSSLI-UHFFFAOYSA-N 363.364 4.154 0 40 FIAB Cc1cc(CCC(=O)NCc2ccc(-c3cccnc3)nc2)ccc1Cl 225764919 IGGDKLPNCZALNO-UHFFFAOYSA-N 365.864 4.354 0 40 FIAB Fc1cccc(CNC(=S)Nc2ccc(Br)cc2F)c1 225837063 OCZCTJAZUCNJPU-UHFFFAOYSA-N 357.223 4.214 0 40 FIAB Clc1ccc(I)cc1-c1nc2cnccc2o1 226281522 CAUPPAIJAMASCH-UHFFFAOYSA-N 356.550 4.148 0 40 FIAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1cc2ccccc2s1 245093451 RODCTTCGUPNORB-HNNXBMFYSA-N 372.515 4.014 0 40 FIAB Cc1cccc(CN2CCC[C@]3(CC2)CN(Cc2cccs2)CCO3)c1 306137750 REZYCWRPAQXHKK-QFIPXVFZSA-N 370.562 4.314 0 40 FIAB CCn1c([C@H](C)NC(=O)[C@H]2CCCCN2C2CCCC2)nc2ccccc21 333531624 YDXCDYLUPQSNRK-OXJNMPFZSA-N 368.525 4.031 0 40 FIAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCCC3)cc2)c(F)c1F 408620690 IQXIUKBOSIQCCA-UHFFFAOYSA-N 368.330 4.104 0 40 FIAB O=C(NC(=S)NNc1ccccc1)c1ccc(-c2cccc(Cl)c2)o1 408625676 FEGMDFSGKALRLR-UHFFFAOYSA-N 371.849 4.231 0 40 FIAB CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C1=O 408960797 JAWUQNOWCIHYIX-DHDCSXOGSA-N 357.387 4.009 0 40 FIAB COCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 409235557 CEXQOAPFIBSXKR-LFIBNONCSA-N 361.394 4.159 0 40 FIAB Fc1cc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)ccc1-n1cncn1 559071755 GUFYYPTVFIUDOZ-ACDBMABISA-N 362.452 4.317 0 40 FIAB Cc1noc(C)c1C(C)(C)NC(=O)c1cc2c(C(C)C)nn(C)c2s1 572550634 SYIXIXBCWOVDBJ-UHFFFAOYSA-N 360.483 4.028 0 40 FIAB Cc1c(Cl)cccc1N1CCN(Cc2cc(O)ccc2Cl)CC1 1198540621 IYTURVURNWJAIU-UHFFFAOYSA-N 351.277 4.330 0 40 FIAB C[C@@H](NC(=O)c1ccccc1N1CCCC1=O)c1nc(C(C)(C)C)cs1 1321614202 PGCBPYXBFPMTJT-CYBMUJFWSA-N 371.506 4.058 0 40 FIAB CC1CCN(C(=O)CC2(CN3Cc4ccccc4C3=O)CCCCC2)CC1 1548349793 YSCFCPUQDNHRNR-UHFFFAOYSA-N 368.521 4.242 0 40 FIAB COc1cccc(/C=C/C(N)=O)c1OCc1ccc(Cl)cc1Cl 1615892567 YKDPULDSWZHTSM-SOFGYWHQSA-N 352.217 4.080 0 40 FIAB O[C@H]1C[C@@H]2CN(C3CCCCC3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242906 YSNWLVQRUQFDRZ-MXNKGDRCSA-N 365.521 4.127 0 40 FIAB COc1ccc(CC(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cc1 676762 MAHUENTWLXTCQW-UHFFFAOYSA-N 369.273 4.058 0 40 FIAB O=C(CCCc1ccccc1)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 706709 GPWDVJLXAABBSV-QAPCUYQASA-N 368.399 4.039 0 40 FIAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1CC 779313 HBCNXJAJKJLQCM-UHFFFAOYSA-N 370.478 4.160 0 40 FIAB COC(=O)CNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 985088 CAVYZZDDXXSUTN-UHFFFAOYSA-N 362.216 4.189 0 40 FIAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN1C(=O)NCc1ccccc1 1379670 WEXABSAXDCXAFA-NRFANRHFSA-N 373.456 4.153 0 40 FIAB Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccc(Br)cc1 2139639 SKCMITFTZTWUII-UHFFFAOYSA-N 372.218 4.425 0 40 FIAB biogenic O=C(O)c1cccc(CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)c1 2184356 HNNBHXOCKBCHSR-DHDCSXOGSA-N 373.817 4.275 0 40 FIAB CCCC(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccc(C)cc1 2203925 PZMDDWANJXNQLI-UHFFFAOYSA-N 361.445 4.255 0 40 FIAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1 2368489 RJTNCDOUERVZFM-HXOBKFHXSA-N 353.786 4.037 0 40 FIAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCC(C)C)cc12 2616680 MKKHBZCOBGEYSF-UHFFFAOYSA-N 361.898 4.494 0 40 FIAB Cc1nc(CSc2ccc(Cl)cc2)cc(N2C[C@@H](C)O[C@H](C)C2)n1 3105914 AHOLCSNBDHKBQQ-CHWSQXEVSA-N 363.914 4.344 0 40 FIAB CCS(=O)(=O)c1ccc2oc(SCc3ccc(F)cc3)nc2c1 3320343 NDEPWWNPFWTWAJ-UHFFFAOYSA-N 351.424 4.053 0 40 FIAB CSc1ccc(Cl)c(C(=O)OCC(=O)NC2CCCCCC2)c1 3377079 JTDLRGFAJPCQEQ-UHFFFAOYSA-N 355.887 4.058 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)C1c2ccccc2-c2ccccc21 4064159 NUMVZPGLXLEFTP-UHFFFAOYSA-N 370.452 4.274 0 40 FIAB CN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1 4188859 UKOHEKHUXHXZTA-UHFFFAOYSA-N 371.531 4.470 0 40 FIAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(Br)c(C)c1 4702974 LBSJXZNGOSQAAK-ZDUSSCGKSA-N 369.303 4.029 0 40 FIAB Clc1nc2ccccc2c(N2CCCCC2)c1CNC[C@H]1CCCO1 5017407 KOELIPIJQZKMQZ-OAHLLOKOSA-N 359.901 4.147 0 40 FIAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 5136351 YLPUBJOIAQDDOE-UHFFFAOYSA-N 358.388 4.152 0 40 FIAB CCOc1ccc(C(C)C)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21 5235078 RCZABWGBEXZSTJ-UHFFFAOYSA-N 372.490 4.412 0 40 FIAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cc1F 5307823 TZZRZZWPJFXFKM-UHFFFAOYSA-N 367.829 4.215 0 40 FIAB O=c1cc2c(nn1Cc1c(Cl)cccc1Cl)-c1ccccc1CC2 5875149 FRDUATMMGQSUKG-UHFFFAOYSA-N 357.240 4.364 0 40 FIAB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1O 6297096 MMPSNXSUZKDTTO-QPSGOUHRSA-N 359.735 4.304 0 40 FIAB C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](O)c1ccccc1 6850992 VWZCNLAZEHKBHE-BONVTDFDSA-N 355.290 4.402 0 40 FIAB O=S(=O)(Nc1cccc(Br)c1)c1ccc(Cl)cc1F 7052614 AUDOCNZUZFQCEP-UHFFFAOYSA-N 364.623 4.042 0 40 FIAB CSc1ncccc1C(=O)O[C@H](C)C(=O)c1c(C)[nH]c2ccccc12 7657717 KTGISXFVAVRJLN-GFCCVEGCSA-N 354.431 4.021 0 40 FIAB Cc1cccc(-c2noc(CNC(=O)c3ccc(Cl)c(Cl)c3)n2)c1 7759351 MQBKDTSHFPKUIY-UHFFFAOYSA-N 362.216 4.282 0 40 FIAB Cc1ccsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8265835 JPFTZIAVKCTNHP-UHFFFAOYSA-N 352.463 4.294 0 40 FIAB Cc1cccc(CSCCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)c1 8500028 DQAWYFICUWQWKX-GOSISDBHSA-N 357.519 4.429 0 40 FIAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccccc1Cl 8587047 IRLHZICXNVFDOO-IBGZPJMESA-N 353.853 4.421 0 40 FIAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)Cc3cccs3)ccc21 8958889 BMCJSNUIXUOXEH-UHFFFAOYSA-N 372.490 4.091 0 40 FIAB CCOc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 9063100 LAKHCWZTKYZHCD-UHFFFAOYSA-N 352.478 4.244 0 40 FIAB Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(CC(C)C)c3nc2c1 9327884 DHTJZEKOQKPVGA-UHFFFAOYSA-N 359.433 4.196 0 40 FIAB Brc1cccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)c1 9421370 CRLLCJUQBRFUOZ-UHFFFAOYSA-N 369.222 4.161 0 40 FIAB Cc1cccc(NC2=NN=C(c3ccc(N4CCCC4=O)cc3)CS2)c1 9468609 WYVVMAFMDQQJNF-UHFFFAOYSA-N 364.474 4.041 0 40 FIAB CCOc1ccc(OCC)c(NC(=O)c2cnc3c(cnn3C(C)C)c2)c1 9953233 BLLRIAHOLSFUTC-UHFFFAOYSA-N 368.437 4.062 0 40 FIAB Cc1ccc(Cl)c(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 10926324 HGXCBZQARGXYIF-UHFFFAOYSA-N 358.825 4.014 0 40 FIAB COc1ccc(C2(NC(=O)CCc3c(C)noc3C)CCCCC2)cc1 12143172 XKEQMGJUBCNATK-UHFFFAOYSA-N 356.466 4.208 0 40 FIAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1C)O[C@H](C)C2 12564910 QZJDTZKEKRFYNV-HUUCEWRRSA-N 354.450 4.156 0 40 FIAB CC(C)n1ncc2cc(C(=O)Nc3ccc(Cl)c4cccnc34)cnc21 12850040 LGSACDBUBDKHPY-UHFFFAOYSA-N 365.824 4.466 0 40 FIAB CCCCC(=O)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 13945495 YZVUOQQBWSOMDX-UHFFFAOYSA-N 373.836 4.471 0 40 FIAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 14095519 IWIMZIGKLAAWAP-KRWDZBQOSA-N 365.452 4.340 0 40 FIAB CCn1nnc2cc(C(=O)N(c3ccccc3)c3nc(C)cs3)ccc21 14586673 NSGXFJPQXXHHIB-UHFFFAOYSA-N 363.446 4.195 0 40 FIAB O=C(Cc1cnn(-c2ccccc2)c1)NC(c1ccccc1)c1ccccc1 14848052 GDNUKVRGSGKAQM-UHFFFAOYSA-N 367.452 4.321 0 40 FIAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 16469595 SMKBSTRGDANVES-UHFFFAOYSA-N 351.324 4.063 0 40 FIAB CCOc1cc(CNc2ccccn2)cc(Br)c1OCC 19777536 AHWGFGFAKQGUBM-UHFFFAOYSA-N 351.244 4.254 0 40 FIAB CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccccc1 20041696 MHTXYIOKNAUQHF-OAHLLOKOSA-N 365.214 4.172 0 40 FIAB CCCCCN1C(=O)[C@]2(NCCc3c2[nH]c2ccc(C)cc32)c2ccccc21 20064214 WBWIQHMHVDZSTI-DEOSSOPVSA-N 373.500 4.402 0 40 FIAB biogenic Cc1csc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1 21482650 POUCFYGJRTZFJF-UHFFFAOYSA-N 366.446 4.026 0 40 FIAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 21961588 HMQAGBMTKJSDLO-LJQANCHMSA-N 366.505 4.065 0 40 FIAB COc1ccc(-c2csc3c(=O)n(Cc4ccc(F)cc4)cnc23)cc1 23126646 KXTPSODNLCWRNB-UHFFFAOYSA-N 366.417 4.321 0 40 FIAB CCc1ccc(C(=O)CN(C2=NCCS2)c2ccc(OC)cc2)cc1 26442124 IPPLOEFJJJKIIC-UHFFFAOYSA-N 354.475 4.050 0 40 FIAB Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c(C)o1 26789845 YAFJQLQISROZMW-UHFFFAOYSA-N 374.238 4.156 0 40 FIAB Cc1nc2cc(NC(=O)c3cc(C)n(CC(F)(F)F)c3C)ccc2o1 27153201 PDOLJDZZHZTOOX-UHFFFAOYSA-N 351.328 4.369 0 40 FIAB C[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 27254059 OTPQGLXFOAOXAH-CRAIPNDOSA-N 355.482 4.081 0 40 FIAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 27922483 BIARWPFBBFYTCK-VQTJNVASSA-N 363.436 4.430 0 40 FIAB COc1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 29903677 KBMHKOBWOTUJHP-UHFFFAOYSA-N 358.869 4.199 0 40 FIAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2CC)cc1OCC 30755523 QIQSQCHPVSWQQD-MRXNPFEDSA-N 371.477 4.130 0 40 FIAB CCc1ccc2c(CC(=O)NCCCOCc3ccccc3)coc2c1 32772972 JDRWTZBVKJWWFJ-UHFFFAOYSA-N 351.446 4.261 0 40 FIAB O=C(c1sc(N2CCCCC2)nc1-c1ccccc1)N1CCCCC1 36293502 CEYZOOGTZJNHNV-UHFFFAOYSA-N 355.507 4.427 0 40 FIAB C[C@@H](NC(=O)CN1CCC[C@H](C(F)(F)F)C1)c1ccc2ccccc2c1 37224319 ZWDXIWSFKJZMHE-KDOFPFPSSA-N 364.411 4.291 0 40 FIAB O=C1SC[C@@]2(C(=O)Nc3ccccc32)N1c1cccc(C(F)(F)F)c1 39324367 HASQDZCCFUOIKY-MRXNPFEDSA-N 364.348 4.226 0 40 FIAB O=C(CCCC1CCCCC1)N1CCC(c2nnc3ccccn23)CC1 39983236 LDMNVCFUJNTMKW-UHFFFAOYSA-N 354.498 4.186 0 40 FIAB CC[C@@H](CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1)c1ccccc1 40119571 ZZAMLVUKENKQBI-HNNXBMFYSA-N 351.475 4.458 0 40 FIAB O=C(Nc1ccccc1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 40156771 FUHHJNBXUNCFNR-FQEVSTJZSA-N 372.428 4.374 0 40 FIAB Fc1ccc(OCCSc2nnc(C3CC3)n2Cc2ccco2)cc1 40159141 OZMDDMNSVCKBEM-UHFFFAOYSA-N 359.426 4.107 0 40 FIAB CCCn1cc(-c2nc(-c3cccs3)no2)c(=O)c2cc(F)ccc21 49001950 KKTPNIFGXJUQIR-UHFFFAOYSA-N 355.394 4.329 0 40 FIAB CSc1nc2ccccc2c(=O)n1CC(=O)c1ccc(C(C)C)cc1 57486408 TZDXCGNJTQXRDK-UHFFFAOYSA-N 352.459 4.125 0 40 FIAB CC(C)CCNC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487302 ASNOJYMKIIDRMB-UHFFFAOYSA-N 372.856 4.021 0 40 FIAB COc1cc(C(=O)NCc2ccccc2C(F)(F)F)nc2ccccc12 72329579 UVUWUNLVUADCJN-UHFFFAOYSA-N 360.335 4.192 0 40 FIAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)c3ccncc3)n2)cc1 72357812 WNLYLUXLUCGLPO-QFIPXVFZSA-N 357.457 4.353 0 40 FIAB Cc1ccc(N2CCC(NC(=O)c3cc4cc(C)c(C)cc4o3)CC2)nc1 80452790 KIYLLWPWGFRCMF-UHFFFAOYSA-N 363.461 4.152 0 40 FIAB O=C(CCN1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(F)cc1 95454780 BFKDPALVEXNKLX-MRXNPFEDSA-N 352.409 4.419 0 40 FIAB Cc1ccccc1C1=N/C(=C/c2ccc(F)c(Br)c2)C(=O)O1 97987593 MFDOPTFEQDSIHO-OQLLNIDSSA-N 360.182 4.241 0 40 FIAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)c3ccccc3C2=O)c1 105038405 QXEZAEHEANVXPG-UHFFFAOYSA-N 370.408 4.356 0 40 FIAB Cc1ccc(C(=O)Nc2c(Nc3ccccc3)nn3c(O)cc(C)nc23)cc1 112579827 SVIBBSASOGZAEB-UHFFFAOYSA-N 373.416 4.048 0 40 FIAB Cc1nnc(SCC(=O)c2ccc3c(c2)CCO3)n1[C@@H]1CCC[C@@H](C)C1 127161103 MCQJJIQEBPWOOM-CXAGYDPISA-N 371.506 4.248 0 40 FIAB CCCSc1nnc(NC(=O)CCSCc2ccccc2)s1 222724988 SDFHTMJRHOWIHT-UHFFFAOYSA-N 353.538 4.302 0 40 FIAB COc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1OC 223975896 SWHCVPRCTWLELO-UHFFFAOYSA-N 369.845 4.368 0 40 FIAB COc1ccc(OC)c([C@H](C)NC(=O)CCSCc2ccccc2)c1 224165072 PXKUYUZWOIXLRC-HNNXBMFYSA-N 359.491 4.205 0 40 FIAB O=C(NC[C@@H]1COc2ccccc2O1)c1cc2c(ccc3ccccc32)o1 225253024 MCUSWMNWRFSUON-OAHLLOKOSA-N 359.381 4.156 0 40 FIAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)c(C)c1 225515064 WBPRVONKIPRGSM-INIZCTEOSA-N 370.518 4.479 0 40 FIAB COc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1Cl 225568295 ZHZVBOSOFXLNJW-UHFFFAOYSA-N 359.853 4.344 0 40 FIAB COc1ccc(C2(C(=O)Nc3ccc(OC)nc3C)CCCCC2)cc1 225871272 MTYXAZKWDMPZKT-UHFFFAOYSA-N 354.450 4.248 0 40 FIAB CO[C@H](CNC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2o1 239846205 KZFUFLBIAKAMES-AIRYCRCHSA-N 368.477 4.388 0 40 FIAB Cc1ncc(CN2CCO[C@H](c3cccc(-c4cccc(F)c4)n3)C2)s1 257297082 RFTDHIUJILAJTA-FQEVSTJZSA-N 369.465 4.226 0 40 FIAB CCCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C 408560626 MAVDXYQESPHDBF-UHFFFAOYSA-N 373.309 4.195 0 40 FIAB O=C(O)c1conc1[C@H](O[C@@H]1CCCCO1)c1ccc(C(F)(F)F)cc1 504028133 AWNLIDOSPILLRX-UKRRQHHQSA-N 371.311 4.024 0 40 FIAB CCc1cc(N2CCC[C@@H](N[C@H](C)c3ccc(OC)c(Cl)c3)C2)ncn1 536865847 XDMNFMBQRRFVFC-RHSMWYFYSA-N 374.916 4.021 0 40 FIAB CCn1c(CN2CCC(c3ccsc3)CC2)nc2cc(C(=O)O)ccc21 568065792 GNXDWFHJPNKLMV-UHFFFAOYSA-N 369.490 4.196 0 40 FIAB Cc1cccc2c1NCC[C@H]1CC[C@@H](CN(C(=O)C3CCCCC3)C2)N1C 643578273 LKMKSIMQSPKRSF-RTWAWAEBSA-N 369.553 4.182 0 40 FIAB Cc1sc(CN[C@@H]2CC[C@H]3CNC[C@@H]3C2)nc1-c1ccc(Cl)cc1 647791776 MTYXGNILSZQHOV-YQQAZPJKSA-N 361.942 4.250 0 40 FIAB CSc1cc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)ccc1Cl 669414155 OSUCMOKEMSUWOP-NSHDSACASA-N 350.875 4.197 0 40 FIAB Cc1cc(-c2nnc(N3CC[C@@H](C(C)(C)C)C3)n2C[C@H]2CCCO2)c(C)o1 670300043 FQEFCZZEYDUMPX-IAGOWNOFSA-N 372.513 4.206 0 40 FIAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccc(-c2cccs2)o1 1889046858 XEYCKUHBWBKKLQ-OAHLLOKOSA-N 373.499 4.340 0 40 FIAB O=C(CSC1CCCCC1)OCC(=O)c1ccc(Br)cc1 652396 GSOVRGLMSAREJV-UHFFFAOYSA-N 371.296 4.241 0 40 FIAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-n2cnnc2)ccc1Cl 679783 APDRORGMGSKLAZ-UHFFFAOYSA-N 366.730 4.192 0 40 FIAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)N1CCCC1 1332738 ZXLFOEJYALNACH-UHFFFAOYSA-N 373.547 4.162 0 40 FIAB COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1 1693180 BMFALLFAWFJQMK-UHFFFAOYSA-N 358.850 4.187 0 40 FIAB COc1cc(/C=C/C(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1OC 1929609 OYLKIJDUMUIEKC-IZZDOVSWSA-N 355.434 4.488 0 40 FIAB CCCCn1cc([C@@H]2CC(=O)N(c3ccc(O)cc3)C2=O)c2ccccc21 2134839 XRRHRAJVEMBJEL-SFHVURJKSA-N 362.429 4.194 0 40 FIAB biogenic CC(C)c1ccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)cc1 3273626 CMVLWYXQYHBLTL-UHFFFAOYSA-N 367.232 4.307 0 40 FIAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1Br 3314118 UGUTYKUSRMDLSZ-UHFFFAOYSA-N 363.207 4.017 0 40 FIAB CCCOc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OC 3577910 QUTMJGPNASZYED-SFQUDFHCSA-N 351.402 4.137 0 40 FIAB CCOc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 4003164 GHXNITZVYHTNMA-UHFFFAOYSA-N 363.339 4.093 0 40 FIAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 4124274 BHUNQJMULPCDTQ-IUCAKERBSA-N 370.883 4.355 0 40 FIAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1 4176511 XJFMBZJNSNRCEV-UHFFFAOYSA-N 351.840 4.222 0 40 FIAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1 4359750 ZBILHBVMKCVLEX-UHFFFAOYSA-N 371.481 4.342 0 40 FIAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(C)c2)cc1 4854470 XPZSLVXZSNMWCK-NRFANRHFSA-N 361.445 4.442 0 40 FIAB Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3Cc2ccco2)c1 4857256 WUXXEHVTGARFEV-YQQQUEKLSA-N 369.534 4.460 0 40 FIAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccco1 4861121 APANNDRAWTXQLN-UHFFFAOYSA-N 370.478 4.377 0 40 FIAB CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 5197418 DJEJZNVHROMUEG-UHFFFAOYSA-N 358.401 4.072 0 40 FIAB CCOc1ccccc1C(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12 5478272 TUNGURYLEUSWRF-UHFFFAOYSA-N 360.417 4.081 0 40 FIAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(CC)cc1 6752932 BOAOJUPVLSPZOK-NRFANRHFSA-N 361.445 4.300 0 40 FIAB CC(C)c1ccc(-n2c(-c3ccccc3)cnc2SCC(N)=O)cc1 6977382 KJCRURSXGKNEKL-UHFFFAOYSA-N 351.475 4.240 0 40 FIAB CNc1nnc(SCc2csc(Nc3ccc(OC)cc3)n2)s1 7102608 YDRKLAJTHLTNJD-UHFFFAOYSA-N 365.509 4.081 0 40 FIAB CCc1cccc2c(C(=O)COc3ccc(C(C)=O)cc3OC)c[nH]c12 7200878 ZDKPWGCQQZWTRE-UHFFFAOYSA-N 351.402 4.203 0 40 FIAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)c1ccc(F)cc1 7735078 KWZLNJVGGWXILV-UHFFFAOYSA-N 356.209 4.150 0 40 FIAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7905367 WZCCOIBQGHGWAQ-LLVKDONJSA-N 352.463 4.335 0 40 FIAB COc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1OC 7995652 SQDJPAXIMNRCNT-UHFFFAOYSA-N 354.431 4.009 0 40 FIAB C[C@@H]1CC(=O)c2c(OCC(=O)N[C@H]3CCCc4ccccc43)ccc(F)c21 8324551 LPLDOKXHHSWTSC-DYVFJYSZSA-N 367.420 4.088 0 40 FIAB COCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 8469240 RESJVCJCTFHXJI-UHFFFAOYSA-N 370.276 4.317 0 40 FIAB Cc1ccc(N2C[C@@H](c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1F 9318719 PRYYFQLSRYPXDU-ZDUSSCGKSA-N 371.799 4.358 0 40 FIAB Cc1c(C(=O)OCC(=O)N2CCSc3ccccc32)oc2ccccc12 9458168 MTHLEWUPTWGNJB-UHFFFAOYSA-N 367.426 4.037 0 40 FIAB CC(=O)c1cccc(NC(=O)CS[C@H]2CCc3ccccc3N=C2O)c1 11865829 MBZDRBTVOUVJBZ-SFHVURJKSA-N 368.458 4.164 0 40 FIAB c1ccc(-c2nnc3sc(CCc4nc5ccccc5s4)nn23)cc1 12390371 GGNZJRZHBURISV-UHFFFAOYSA-N 363.471 4.248 0 40 FIAB Cc1cccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c1 12416036 VTVSFUJLMYVAJQ-UHFFFAOYSA-N 370.408 4.257 0 40 FIAB CCCn1c(SCc2nnc(C)o2)nc2ccc(C(F)(F)F)cc21 12520227 REFDRNYNPITBTA-UHFFFAOYSA-N 356.373 4.449 0 40 FIAB CSc1cccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)c1 12849501 WIHAOMVMNVYSNT-LJQANCHMSA-N 352.459 4.311 0 40 FIAB Cc1cc(OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc(C)c1Cl 13367785 WECLQHKNCLHODG-UHFFFAOYSA-N 374.893 4.484 0 40 FIAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 13634733 WRUNLJOJPCHHHV-SFHVURJKSA-N 365.458 4.220 0 40 FIAB CCC(CC)c1nn2c(=O)cc(CN3CCCc4ccccc43)nc2s1 15731893 BFTRUFRPNVIJOR-UHFFFAOYSA-N 368.506 4.007 0 40 FIAB CCOc1ccc(NC(=O)COc2ccc(CC)cc2)c2cccnc12 15840856 MXKTWZRENUPTFA-UHFFFAOYSA-N 350.418 4.213 0 40 FIAB Cc1ccc([C@@H](Cc2ccsc2)NCc2cnc3ccccc3n2)nc1 19215641 NOOSXXZBJQHFOU-OAQYLSRUSA-N 360.486 4.468 0 40 FIAB Cn1cc(C(=O)Cn2c(C3CCOCC3)cc3cccnc32)c2ccccc21 19290364 BOMURVXRBFSAOD-UHFFFAOYSA-N 373.456 4.305 0 40 FIAB Cc1cc(C)n([C@@H](Nc2ccc(Br)cn2)c2ccc(C)o2)n1 20072379 OUAOEJRJPFMQFP-MRXNPFEDSA-N 361.243 4.218 0 40 FIAB COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC 20111522 LEGAEWXAMNPJLJ-UHFFFAOYSA-N 368.477 4.188 0 40 FIAB O=C(COc1ccc(Cl)c2ccccc12)Nc1nnc(C2CC2)s1 21292762 AJUZOXRRBJEBAH-UHFFFAOYSA-N 359.838 4.240 0 40 FIAB Cc1nn(C)c2ncc(NC(=O)C3c4ccccc4Oc4ccccc43)cc12 24032593 OHROIQVSSARBRX-UHFFFAOYSA-N 370.412 4.153 0 40 FIAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25330820 HJNJZTMGEHLLCV-INIZCTEOSA-N 371.531 4.213 0 40 FIAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)C1CCCCC1 28228768 BUOCGLBOZFNUPP-UHFFFAOYSA-N 351.809 4.231 0 40 FIAB Cc1cc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)c(C)o1 28574394 XWRVRHKPTCLRKT-UHFFFAOYSA-N 363.339 4.412 0 40 FIAB Cc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)s1 29267964 DQNOUTRXRVIORM-CMDGGOBGSA-N 351.475 4.352 0 40 FIAB Cc1cnc2c(S(=O)(=O)N[C@@H](c3cccs3)C(C)C)cccc2c1 29345851 SNRWLFPAWIZNSF-QGZVFWFLSA-N 360.504 4.280 0 40 FIAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCN(c2ccccc2F)CC1 32853806 FXCPLKITCBZMJS-AWEZNQCLSA-N 374.410 4.454 0 40 FIAB O=C(c1cccnc1Sc1ccccc1)N1CCc2sccc2C1 32883834 BFNBZMHYGYTUAN-UHFFFAOYSA-N 352.484 4.493 0 40 FIAB C[C@@H]1OC(=O)C(c2n[nH]c(=O)c3ccccc23)=C1c1ccc(C(C)(C)C)cc1 32913492 FOUZWZUHHLJWFQ-ZDUSSCGKSA-N 374.440 4.077 0 40 FIAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(C)c2C)cc1 35289621 HNNNTTQIPVFXHZ-IBGZPJMESA-N 351.450 4.247 0 40 FIAB COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)cc1 36740455 IBANEINJXLYZHG-UHFFFAOYSA-N 367.537 4.402 0 40 FIAB CC(C)c1ccc(OCC(=O)Nc2nnc(-c3ccc(F)cc3F)o2)cc1 38933038 YENOYVDGIMRTFJ-UHFFFAOYSA-N 373.359 4.156 0 40 FIAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@H](C)c1cc(C)sc1C 40080952 FLNSQQFGTRYYPL-TZMCWYRMSA-N 354.475 4.057 0 40 FIAB CCCCN(CCCC)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 40103710 YAYKSHGCRSFHQS-UHFFFAOYSA-N 362.442 4.117 0 40 FIAB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCOc1cccc(Cl)c1 40113546 JRSLNBMVSNYTSA-UHFFFAOYSA-N 374.799 4.251 0 40 FIAB O=C(CCS(=O)(=O)C1CCCC1)OC1c2ccccc2-c2ccccc21 40129195 MMDJZIRIDKJNFY-UHFFFAOYSA-N 370.470 4.047 0 40 FIAB O=C(NCC1CCN(Cc2ccsc2)CC1)c1cc2ccccc2o1 43971648 XTHIOZYBCAWSQJ-UHFFFAOYSA-N 354.475 4.136 0 40 FIAB Cc1ccc(C)c(CN2CCC(C(=O)NCCc3ccccc3F)CC2)c1 47937390 RMQDMAZLPXIMGE-UHFFFAOYSA-N 368.496 4.013 0 40 FIAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc(F)ccc1F 51315245 ATHATEDWLAIMBJ-UHFFFAOYSA-N 350.708 4.025 0 40 FIAB COC(=O)N(C)c1ccc(NC(=O)c2cc3ccc(F)cc3nc2C)cc1 56449563 OWXOXTUEKLEJGR-UHFFFAOYSA-N 367.380 4.137 0 40 FIAB Cc1nc2ccc(C(=O)N3CCCCC[C@@H]3c3cccn3C)cc2nc1C 57817684 RLIKMSSLRNNGIX-OAQYLSRUSA-N 362.477 4.343 0 40 FIAB Fc1cc(-c2cccs2)ccc1CN[C@H]1CCN(CC(F)(F)F)C1 60953165 OAJZXIVEDJIWBN-AWEZNQCLSA-N 358.404 4.280 0 40 FIAB COc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c(C)n2)c(OC)c1 65385961 DVPXDNNALGBPRV-UHFFFAOYSA-N 374.444 4.314 0 40 FIAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)c1 72349230 IMYGWGGSPRENJG-SFHVURJKSA-N 373.456 4.172 0 40 FIAB CCOc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 75172125 LZIFEVMEDPYNJW-UHFFFAOYSA-N 353.353 4.059 0 40 FIAB O=C1CCCc2cc(C(=O)Nc3ccc4nc(C5CC5)oc4c3)ccc2N1 84452150 DOFJDWZSXLUWNL-UHFFFAOYSA-N 361.401 4.232 0 40 FIAB C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc2c(c1)CCCC2 106250951 IXJYUSQPYPXCIX-GOSISDBHSA-N 363.501 4.491 0 40 FIAB OCCN(Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H]1CCc2ccccc21 114466611 XDQWKQMNZVMTQR-HXUWFJFHSA-N 370.399 4.102 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1C 219309286 FGGNVJCRVNGZOC-FUHWJXTLSA-N 353.462 4.489 0 40 FIAB O=C(Cn1ccc2ccccc21)N1CCS[C@@H](c2cccs2)CC1 219460456 UTPFVBSWJCSLIX-GOSISDBHSA-N 356.516 4.410 0 40 FIAB O=C(Nc1ccc(Br)cc1)c1cnc(-c2cccc(F)c2)nc1 222621758 MXNXWXHMUCCCGG-UHFFFAOYSA-N 372.197 4.298 0 40 FIAB CCOC(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1Cl 223491886 KRRRZLNHRYRFNI-UHFFFAOYSA-N 352.217 4.351 0 40 FIAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c(C)c1 224425938 QFRYABQOUQYROX-IBGZPJMESA-N 355.478 4.191 0 40 FIAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCOc1ccc(C)cc1C 224471874 QKLRVZJXTLDIKT-LJQANCHMSA-N 355.478 4.273 0 40 FIAB CCOc1ccccc1CCCNC(=O)COc1cccc2c1CCCC2 224712380 WHVOSGQDURPMJP-UHFFFAOYSA-N 367.489 4.092 0 40 FIAB CCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC1CCCCC1 225157699 SKJWTAPCTNQTGN-GOSISDBHSA-N 364.917 4.306 0 40 FIAB Cc1cc(NC(=S)NCCC2=CCCCC2)ccc1N1CCCC1=O 225355659 JWKWVLOOBZJVJE-UHFFFAOYSA-N 357.523 4.299 0 40 FIAB O=C(NCc1cccnc1-c1ccsc1)c1ccc(C(F)(F)F)nc1 225647546 WYTQREWYXRUBBD-UHFFFAOYSA-N 363.364 4.154 0 40 FIAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225838570 RZBZPYLOGNYFHK-VLIAUNLRSA-N 365.470 4.184 0 40 FIAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SC(C)C)s1 225878156 VBMDMQIVROXCKE-CYBMUJFWSA-N 365.524 4.452 0 40 FIAB COC(=O)c1c(C)n(C(=O)c2ccccc2Br)c2ccccc12 226366331 CQOXKPROAOYFRY-UHFFFAOYSA-N 372.218 4.187 0 40 FIAB CCCc1ccc(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 588685343 RYBLUQFJECTXJD-UHFFFAOYSA-N 358.488 4.077 0 40 FIAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(NC(=O)C2CC2)c1 641946470 PIWAXRCBPHTIJC-CDHQVMDDSA-N 372.509 4.451 0 40 FIAB COC[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 1540172420 AAAPMDKSUOQRHY-FHWLQOOXSA-N 361.844 4.477 0 40 FIAB CC(C)(C)OC(=O)N1C[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc21 1540328254 NGOGCJCYLFLRKT-INIZCTEOSA-N 356.397 4.303 0 40 FIAB O=C(Cc1ccccc1Cl)NC[C@@H](O)c1cc(-c2ccco2)cs1 1775967914 GFJHSBWKMCYCBD-OAHLLOKOSA-N 361.850 4.054 0 40 FIAB CSc1ccc(C(=O)N2CCC(COc3ccnc(C)c3)CC2)cc1 1775968102 PNPBAPJMGAHKTD-UHFFFAOYSA-N 356.491 4.043 0 40 FIAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc(C(=O)O)c1 80994 MRJHMSHUTQHQTB-UHFFFAOYSA-N 350.374 4.162 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1sc2nc(C)cc(C)c2c1N 888453 DAGVBHOAEFHGFG-UHFFFAOYSA-N 361.854 4.410 0 40 FIAB O=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccc(Cl)cc1)c1ccco1 913237 JJQCCZZBUVKRRU-GOSISDBHSA-N 372.783 4.123 0 40 FIAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 920179 UTFUIRFPWJETBV-UHFFFAOYSA-N 352.415 4.261 0 40 FIAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)o2)c1 929464 WYVMPCHLKKLIFO-GASCZTMLSA-N 359.495 4.235 0 40 FIAB O=S(=O)(Oc1cccc2ccccc12)c1ccc(Br)cc1 1600270 IVNVMGYMJLUKDY-UHFFFAOYSA-N 363.232 4.370 0 40 FIAB O=C(OCc1ccccc1CN1CCCC1)c1ccc(Br)cc1 1716178 QQUUTAHOQTUAJE-UHFFFAOYSA-N 374.278 4.402 0 40 FIAB CC1(C)C[C@H](C(=O)NCC[C@@H](Cc2ccccc2)c2ccco2)CCO1 2094152 DPJASJFVYICKJL-RBUKOAKNSA-N 355.478 4.317 0 40 FIAB biogenic CCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1 2096029 VWSCHIUDYMEYHF-UHFFFAOYSA-N 372.490 4.176 0 40 FIAB CC[C@@H](C(=O)Nc1nnc(-c2ccccc2OC)s1)c1ccccc1 2442524 XTFJRCDGNYTODS-CQSZACIVSA-N 353.447 4.346 0 40 FIAB Cc1sc2nc(-c3cccnc3)nc(NCCc3ccccn3)c2c1C 3459749 AYEKAEWNTJXJQY-UHFFFAOYSA-N 361.474 4.420 0 40 FIAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)c1ccc(Cl)cc1 3464917 XBKHKZSWWKDSTP-UHFFFAOYSA-N 365.816 4.417 0 40 FIAB COc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cc1 3610396 FEEWGHCVXOFVGA-UHFFFAOYSA-N 365.414 4.202 0 40 FIAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2Cl)N1 3910371 ZJDRIKAAFJMYGX-HOTGVXAUSA-N 361.228 4.163 0 40 FIAB biogenic COc1cccc(C(=O)Nc2ccc3nc(SC)sc3c2)c1OC 4479329 SXGBYFRRSCHPKD-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB Cc1cc(C)c(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1 4625058 IBMOCCWOSPWSRU-HXUWFJFHSA-N 361.420 4.487 0 40 FIAB CC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccc(Cl)cc1 4816542 UITMVRZZYUUNNV-RTBURBONSA-N 366.852 4.327 0 40 FIAB O=c1c2ccccc2nc(N2CCc3ccccc3C2)n1Cc1ccccc1 5026048 YIWNAKSUDUDEBY-UHFFFAOYSA-N 367.452 4.008 0 40 FIAB COc1cc2c(cc1OC)C(COc1ccc(Cl)cc1Cl)=NCC2 5210465 SHYISVYUBCSHHT-UHFFFAOYSA-N 366.244 4.435 0 40 FIAB Cc1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 5363200 PCSKYQKEPOLURC-UHFFFAOYSA-N 372.424 4.163 0 40 FIAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)c1 5520079 PJVJOLBOULTNPE-UHFFFAOYSA-N 358.854 4.164 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3F)o2)cc1 5863411 OYUBPIXPMQUCPT-GFCCVEGCSA-N 357.410 4.303 0 40 FIAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2ccccc2)cc1 5936283 VORGCUWWBBFQKA-KRWDZBQOSA-N 371.436 4.488 0 40 FIAB Cc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccccc1)=N2 6281379 CWQWKDWVSIQVPX-UHFFFAOYSA-N 354.457 4.495 0 40 FIAB COc1cc(NC(=O)c2ccc(OC(F)F)cc2)c(OC)cc1Cl 6309945 NYEPGCKOKDTZBF-UHFFFAOYSA-N 357.740 4.211 0 40 FIAB O=C(NC1CCCCC1)c1cc(Br)c(Br)s1 6337519 LCWYLDRJEVHJRG-UHFFFAOYSA-N 367.106 4.336 0 40 FIAB CCOc1cc2nc(-c3ccccc3SC)oc(=O)c2cc1OCC 6649986 IDZDMIRSVXDDIG-UHFFFAOYSA-N 357.431 4.374 0 40 FIAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4cccs4)nc3c12 6662772 YFNZJIHHXDXKPN-UHFFFAOYSA-N 359.458 4.473 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccsc1)S[C@H](C)C(=O)N2 6678977 KVOYIRFKTSBYDX-MLGOLLRUSA-N 355.488 4.405 0 40 FIAB CCOc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(Cl)c2)C(C)C)cc1 6778641 KKMJFXIXJXIADZ-SFHVURJKSA-N 374.868 4.132 0 40 FIAB COc1ccccc1CC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 7779763 HXNCBKRITDKGFK-UHFFFAOYSA-N 360.385 4.278 0 40 FIAB Cc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 9205107 FLJHBQJKKSKBED-ZDUSSCGKSA-N 371.824 4.413 0 40 FIAB COc1ccccc1Oc1ccc(NC(=O)Cc2c(C)noc2C)cc1 9494240 VUNXORLMUSBFFB-UHFFFAOYSA-N 352.390 4.274 0 40 FIAB Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 12601979 MUGYVKTWWSGKJN-IBGZPJMESA-N 361.445 4.198 0 40 FIAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccccc1-c1ccccc1 12748708 PTRYUWYDARRYQT-UHFFFAOYSA-N 367.426 4.161 0 40 FIAB Cc1ccc(-n2nc(C(=O)N3CCCCCC3)nc2-c2ccccc2)cc1 13568878 APZSYMKXCYSGSZ-UHFFFAOYSA-N 360.461 4.259 0 40 FIAB CC(C)(C)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 13714320 LVUXFWWPCIBHCD-UHFFFAOYSA-N 364.489 4.401 0 40 FIAB COc1ccc(-c2nnc(SCc3cccc(C)c3)n2C)cc1OC 14083259 GCYFIECRUKQUKW-UHFFFAOYSA-N 355.463 4.100 0 40 FIAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 14109067 RBIKPBYNLPZOHU-LBPRGKRZSA-N 367.276 4.461 0 40 FIAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(Br)c[nH]1 14246824 YIOGUPHFNJRPEQ-UHFFFAOYSA-N 362.252 4.077 0 40 FIAB Fc1ccccc1COc1cccc(CNCc2ccc3c(c2)OCO3)c1 16450080 MYLJKJOZWRIVPG-UHFFFAOYSA-N 365.404 4.423 0 40 FIAB COc1ccc(N2CCn3c(SCc4cc(C)ccc4C)nnc32)cc1 17026178 WKSXNECVYPAQNT-UHFFFAOYSA-N 366.490 4.348 0 40 FIAB CCOc1ccc(N2CCn3c(SCc4ccc(C)cc4)nnc32)cc1 17307781 UUFIFKHBSAEBQY-UHFFFAOYSA-N 366.490 4.429 0 40 FIAB C[C@H]1CN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C[C@H](C)O1 17325746 OERODXDUQZBQIX-GJZGRUSLSA-N 359.853 4.168 0 40 FIAB C[C@H](NC(=O)CC1CC(C)(C)NC(C)(C)C1)c1nc2ccccc2s1 19459837 XPKJWVXINALCFQ-ZDUSSCGKSA-N 359.539 4.420 0 40 FIAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)o1 19688461 SPIMCBHEVPYYHV-HXUWFJFHSA-N 361.445 4.255 0 40 FIAB CCN(C(C)=O)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(CC(C)C)CC2)C1 19712844 LVEVYTLNTKSRSX-VXKWHMMOSA-N 372.553 4.266 0 40 FIAB O=C(OCc1nc(-c2ccsc2)no1)c1occc1-c1ccccc1 21740501 YQJGLEIBTONUPK-UHFFFAOYSA-N 352.371 4.415 0 40 FIAB COc1ccc(C)cc1C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 21901111 YGVUKPHEBUDEPC-UHFFFAOYSA-N 366.339 4.233 0 40 FIAB CCOc1ccc(Br)cc1CNCCc1ccc(F)cc1 22074622 LYNQDJHPJNTICV-UHFFFAOYSA-N 352.247 4.319 0 40 FIAB CCN1CCC[C@H]1CNCc1ccc(OCc2ccccc2Cl)cc1 22935988 YYFWEWXUWSEXBN-IBGZPJMESA-N 358.913 4.493 0 40 FIAB Cc1c(C(=O)NCc2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 24257400 DDZJHHNJGGIVBN-UHFFFAOYSA-N 359.351 4.130 0 40 FIAB COc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)cs2)c1OC 24777690 MXZWNIIMZSHCJL-UHFFFAOYSA-N 358.394 4.219 0 40 FIAB CCOc1ccc(/C=C/C(=O)N(C)c2nc3ccccc3s2)cc1OC 24778428 JKCVBOIXGBBCFB-ZRDIBKRKSA-N 368.458 4.380 0 40 FIAB Cc1ccccc1-n1ncc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1C 24893250 WAFCRNZWHSWSRV-UHFFFAOYSA-N 357.417 4.132 0 40 FIAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 25252381 ARMZZMRBMSNERX-YJBOKZPZSA-N 374.937 4.211 0 40 FIAB COc1ccc(CN(C(=O)c2ccc(F)cc2)c2ccccn2)cc1OC 27581116 NGXBIGJFOXJTHN-UHFFFAOYSA-N 366.392 4.085 0 40 FIAB CN(C)[C@@H](CNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1Cl 32755177 DNNZLQUKLXGWOE-PXNSSMCTSA-N 356.897 4.179 0 40 FIAB CC(=O)Nc1cccc(NC(=O)COC(c2ccccc2)c2ccccc2)c1 32892443 HQXIQZUYLPNQCW-UHFFFAOYSA-N 374.440 4.390 0 40 FIAB CCCCn1c(SCC(=O)NCc2ccccc2Cl)nc(C)c1C 32905718 PBKVGOABCBNRHL-UHFFFAOYSA-N 365.930 4.362 0 40 FIAB Cc1ccc(N(Cc2ccc(Br)cc2)S(C)(=O)=O)cc1C 33574069 BPLXNDVUVKMSOA-UHFFFAOYSA-N 368.296 4.032 0 40 FIAB CCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(C)cc1 38463520 DUZKCDFMAZDQTQ-UHFFFAOYSA-N 356.447 4.223 0 40 FIAB Cc1ccc(-c2n[nH]c(SCc3noc(-c4cccs4)n3)n2)cc1 40012643 OEVOMVIEGVEDOJ-UHFFFAOYSA-N 355.448 4.184 0 40 FIAB CCCSc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 40994399 DCCRUINFPNCXOZ-UHFFFAOYSA-N 359.929 4.424 0 40 FIAB O=S(=O)(Oc1ccc(C2CCCCC2)cc1)c1ccc2nc(O)oc2c1 41125027 POZSSJBLDDLWEL-UHFFFAOYSA-N 373.430 4.349 0 40 FIAB O=C(Cc1csc(Cc2ccccc2)n1)NC1(c2ccccc2)CCC1 41787785 QMPSNWQTSNLDIF-UHFFFAOYSA-N 362.498 4.472 0 40 FIAB C[C@H](OC(=O)c1cccc2cn[nH]c12)c1nc2ccccc2n1C(F)F 43978553 IYRNWXSAKSSREU-JTQLQIEISA-N 356.332 4.226 0 40 FIAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 44901607 SDRHIWUXVWYQHH-CYBMUJFWSA-N 374.868 4.274 0 40 FIAB CCOC(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1Cl 44904426 HDLYKEUSGXHXBG-UHFFFAOYSA-N 361.825 4.151 0 40 FIAB Cc1ccc2nc(COc3ccccc3C(=O)N3CCCCCC3)cn2c1 47046563 SZEOEWRCSILSKR-UHFFFAOYSA-N 363.461 4.238 0 40 FIAB Cc1ccc(C)c(N(C)C(=O)C2CCN(c3nc4ccccc4o3)CC2)c1 48289146 JEKLHMHUOFHZKK-UHFFFAOYSA-N 363.461 4.324 0 40 FIAB O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1cccs1 51315323 PFBPGOIPGYMTLP-UHFFFAOYSA-N 370.308 4.054 0 40 FIAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(F)cc1)OCN(C(C)C)C3 57165627 JYMDGMKYPNLPOD-UHFFFAOYSA-N 353.393 4.468 0 40 FIAB COc1ccc(CNC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1 57413845 ASBIUCRVKZCOJX-UHFFFAOYSA-N 357.413 4.169 0 40 FIAB O=C(N1CCc2ccccc21)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 58367160 CGLPYMCZVYGWRO-FQEVSTJZSA-N 374.406 4.030 0 40 FIAB Cc1ccc2cc(C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)c(C)nc2c1 63957896 AZFQAXIQCIODOX-UHFFFAOYSA-N 366.465 4.197 0 40 FIAB Fc1ccc(-c2nnc(Cc3nc(-c4ccc(Cl)cc4)no3)o2)cc1 65185366 OULOSCHBNFNIHQ-UHFFFAOYSA-N 356.744 4.170 0 40 FIAB COc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333546 BNNQJVMFNLHTQD-UHFFFAOYSA-N 366.490 4.329 0 40 FIAB c1ccc(Cc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333555 SEXJSOWAXAVBLM-UHFFFAOYSA-N 350.491 4.244 0 40 FIAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3cccnc3)N1CC2 72342187 OJAGPSSJVXJAAQ-DHIUTWEWSA-N 373.456 4.171 0 40 FIAB COc1cccc(-c2noc([C@@H]3CCN(Cc4ccccc4Cl)C3)n2)c1 72369857 RPYPAXCHZUKATK-MRXNPFEDSA-N 369.852 4.388 0 40 FIAB CC(C)(C)OC(=O)N[C@@H](c1noc(Cc2c[nH]c3ccccc23)n1)C1CC1 72542760 PUEDKIPEDYBMJB-QGZVFWFLSA-N 368.437 4.118 0 40 FIAB FC(F)(F)c1cc(Oc2ccc3cn[nH]c3c2)nc(-c2cccnc2)n1 75094567 FFVNMCXPNAIOKL-UHFFFAOYSA-N 357.295 4.226 0 40 FIAB O=C(c1ccc2nsnc2c1)N(CCc1cccs1)Cc1ccco1 77183919 SOOAOVYZAMTIRO-UHFFFAOYSA-N 369.471 4.231 0 40 FIAB Cc1cc(C)nc(SCc2ccc(C(=O)NC3CCCCCC3)o2)n1 79490695 PAVLEOGSGBLRHN-UHFFFAOYSA-N 359.495 4.431 0 40 FIAB O=S(=O)(c1nc(-c2ccccc2)oc1-c1ccccc1)N1CCCCC1 94992778 ABDHTWOAZYFBFQ-UHFFFAOYSA-N 368.458 4.183 0 40 FIAB C[C@@H]1C[C@H](CNC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CCO1 95458142 BSKXJXVEXSPGMT-HUUCEWRRSA-N 360.454 4.055 0 40 FIAB C[C@@H](c1ccc(F)c(F)c1)[S@@](=O)c1cc2c(cc1Cl)OCCO2 97011063 UUCVYRXMIAZVFS-KLVQOETNSA-N 358.793 4.258 0 40 FIAB C[C@H](N[C@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(Br)o1 97105340 WQHDLIQVBITBPF-UHIISALHSA-N 356.235 4.344 0 40 FIAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 101277190 DHCSKURXBVIOTL-CQSZACIVSA-N 369.635 4.391 0 40 FIAB CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cnn([C@@H](C)C3CC3)c1)CCC2 189729481 MQSYTCPDRGGZOS-BLLLJJGKSA-N 373.526 4.414 0 40 FIAB O=C(OC1CCOCC1)N1CCS[C@H](c2ccccc2Cl)CC1 207000009 YMRNHGBACRQEHG-INIZCTEOSA-N 355.887 4.136 0 40 FIAB CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C)c1ccc(OC)c(OC)c1 219074342 VDHVSOCPZWDYPG-SJLPKXTDSA-N 371.477 4.355 0 40 FIAB CC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)c1ccc(C)c(C)c1 219247358 LBGCFINLIFISRR-JOCHJYFZSA-N 366.505 4.017 0 40 FIAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)cc2)S1 222560190 OETLXCHTJOVXMO-LYRGGWFBSA-N 374.307 4.433 0 40 FIAB Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225157113 RKJOGCDHMIHHRE-UHFFFAOYSA-N 370.474 4.278 0 40 FIAB COc1ccc(NC(=S)NCCCSc2ccc(OC)cc2)cc1 225802542 XKIINZZXHSUIAF-UHFFFAOYSA-N 362.520 4.173 0 40 FIAB COc1ccccc1C(=O)Nc1cc(N2CCCC[C@H]2C)c(C)cc1N 226331624 GKRMYNGMYFUGIZ-OAHLLOKOSA-N 353.466 4.217 0 40 FIAB Cc1cccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)n1 257284357 PCJHGSUTVUZURG-LJQANCHMSA-N 365.408 4.085 0 40 FIAB Cc1cnccc1CN1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 257323289 WJNBCRFTLLKTAF-SFHVURJKSA-N 362.477 4.121 0 40 FIAB Fc1ccc(Cc2cnc([C@@H]3CCCN(Cc4cccnc4)C3)o2)cc1 257343379 ZSSVVIFEBXWPLT-GOSISDBHSA-N 351.425 4.179 0 40 FIAB COc1ccc(Cl)c2c1N(C(=O)c1cc(C(C)=O)c(C)nc1C)CCC2 332238371 UDORSZBYWNLBOT-UHFFFAOYSA-N 372.852 4.156 0 40 FIAB O=C(Cc1cccc2ccccc12)NC1(c2cccs2)CCOCC1 390827152 FETJCACQOMMAAO-UHFFFAOYSA-N 351.471 4.266 0 40 FIAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1O 409110141 SHWPWGMGIKCYLE-GHXNOFRVSA-N 360.207 4.046 0 40 FIAB Cc1c(-c2nnc(SCCOc3ccccc3)o2)sc(=S)n1C 524733882 YWZLJWKYHVOULR-UHFFFAOYSA-N 365.505 4.346 0 40 FIAB C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 527876969 WYBNSBNSTFMIEJ-BUXKBTBVSA-N 356.832 4.398 0 40 FIAB Cn1cc([C@@H]2CN(C(=O)CCC3CCCCC3)Cc3ccccc32)cn1 585408836 MPTBAGYCHFCHLR-NRFANRHFSA-N 351.494 4.255 0 40 FIAB O=C(Nc1cnn(C2CCC2)c1)NC1(c2ccc(F)cc2F)CCCC1 1209656355 IGMOTRITNDITPK-UHFFFAOYSA-N 360.408 4.477 0 40 FIAB CCCc1cc2c(cc1NC(=O)c1ccc(SC)cc1OC)OCO2 643448 CUBZGANQRKOANI-UHFFFAOYSA-N 359.447 4.351 0 40 FIAB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1 659548 HQTKJXDYQFUOOI-UHFFFAOYSA-N 355.459 4.076 0 40 FIAB O=C(C[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 799653 PARPWJYUKQIGHB-IBGZPJMESA-N 358.390 4.207 0 40 FIAB CCC(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 823841 HPXURXXKAMNZDF-SNVBAGLBSA-N 363.594 4.340 0 40 FIAB CC(C)(C)NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccs3)nc12 845046 RXCNVRBGNRBBIP-UHFFFAOYSA-N 368.384 4.005 0 40 FIAB Cc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CCC3 1240734 HHIJWISKGKRXRP-UHFFFAOYSA-N 352.488 4.428 0 40 FIAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NC1CCCCCCC1 3316677 DNFIIGZGFAAIOR-UHFFFAOYSA-N 372.292 4.308 0 40 FIAB Cc1ccc(SCc2nc(N)nc(Nc3ccccc3C)n2)cc1C 3443724 ARZMRQIQYWQRBV-UHFFFAOYSA-N 351.479 4.415 0 40 FIAB COC(=O)c1ccc(CSc2nnc3cc(C)c4ccccc4n23)cc1 3496050 LAWDQDBCLMSUOQ-UHFFFAOYSA-N 363.442 4.270 0 40 FIAB COc1ccc2c(c1)-c1nc(NC(=O)c3cccc(C)c3)sc1CC2 3651749 CJTDALSKOIUZPA-UHFFFAOYSA-N 350.443 4.478 0 40 FIAB CCOC(=O)[C@@H](Sc1nnc(-c2ccc(C)cc2)o1)c1ccccc1 4776379 XBJMFRNSJKOJGQ-INIZCTEOSA-N 354.431 4.442 0 40 FIAB COc1ccc(C)cc1CSc1nnnn1-c1ccc(C(C)C)cc1 5349325 MHAXKMHJVRGTRV-UHFFFAOYSA-N 354.479 4.395 0 40 FIAB COc1ccc2ccc(O[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)cc2c1 5365520 MJLKGSVADPDLSW-HNNXBMFYSA-N 363.413 4.457 0 40 FIAB Cc1cccc(C(=O)Nc2ccccc2I)c1C 5573968 MLCPXOUOHOJDAW-UHFFFAOYSA-N 351.187 4.160 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)c(C)c1 5729414 ZUYJDPZBXAKCGI-UHFFFAOYSA-N 354.269 4.175 0 40 FIAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O 5936615 VJBOOJURUIVOAL-KPZWWZAWSA-N 368.399 4.342 0 40 FIAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCc3ccccc3)cc12 5936703 PSHITVHNIKZXQU-UHFFFAOYSA-N 365.433 4.465 0 40 FIAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1C(F)(F)F 6314873 GAEAKEFFKPKPDU-ZDUSSCGKSA-N 357.397 4.005 0 40 FIAB COc1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cc1 6897276 ZSAMIYLKOOKEPN-UHFFFAOYSA-N 353.443 4.087 0 40 FIAB CCN1C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 6950986 DTYWUMSVKBLLRA-WQLSENKSSA-N 351.189 4.166 0 40 FIAB CCOc1ccc([C@H](C)NC(=O)COc2cc(C)cc(C)c2)cc1OCC 7404951 OBKIMCVOHGMABK-KRWDZBQOSA-N 371.477 4.357 0 40 FIAB Cc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 8102782 RFOCDFMFNUQJGB-INIZCTEOSA-N 366.486 4.390 0 40 FIAB CCC(CC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)cc1 8198631 HYNPOHOGBUGKEG-KRWDZBQOSA-N 366.527 4.015 0 40 FIAB CNCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8377101 YOOINNNKAPJIQJ-UHFFFAOYSA-N 353.293 4.272 0 40 FIAB O=C(COc1ccccc1C(F)(F)F)Nc1ccccc1OC(F)F 9514952 LFLFZPPMCJMKOK-UHFFFAOYSA-N 361.266 4.324 0 40 FIAB COc1ccc(OC)c(NC(=O)Cc2csc(-c3cccs3)n2)c1 9690696 AJQDTYHKZJUURT-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 12420932 QBIARBUZEORRFA-KRWDZBQOSA-N 374.425 4.276 0 40 FIAB CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]21 12656115 IWRPVTXREVYBHT-PZSZKOGDSA-N 372.505 4.265 0 40 FIAB biogenic COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)cc1 12790020 ZVTUSYTYZVOSAY-INIZCTEOSA-N 353.466 4.125 0 40 FIAB COC(=O)C[C@@H](NC(=O)Cc1coc2c(C)c(C)ccc12)c1ccccc1 12875094 HFZSBROOEANIQD-LJQANCHMSA-N 365.429 4.013 0 40 FIAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1cccc(C(F)(F)F)c1 13085161 ZWHWXIPPMCNKRX-UHFFFAOYSA-N 373.714 4.075 0 40 FIAB CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc(N)nn21 13131432 ARYOBPOTXHSXCA-CVEARBPZSA-N 369.856 4.059 0 40 FIAB CCCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1OC 13687109 HFOWVCGQOABKLJ-UHFFFAOYSA-N 364.445 4.178 0 40 FIAB Cc1cccc(N2CCN(C(=O)CCSCc3ccccc3)CC2)c1C 13688183 UMAFSWMSKBHPEO-UHFFFAOYSA-N 368.546 4.276 0 40 FIAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2F)cc1 14116753 VMGRAGNDPWVWJV-UHFFFAOYSA-N 354.381 4.191 0 40 FIAB O=C(NC(c1ccccc1)c1ccccc1)c1cnn(-c2ccccc2)c1 15583095 TYNDCEXZMCBAJO-UHFFFAOYSA-N 353.425 4.392 0 40 FIAB COc1ccc(-c2csc(SCc3cn4cccnc4n3)n2)cc1 16217472 HVCUHLITQTYOOV-UHFFFAOYSA-N 354.460 4.154 0 40 FIAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCCC(=O)c3ccccc3)nnc12 19460821 LJKNYENVADTVCG-VLIAUNLRSA-N 353.491 4.412 0 40 FIAB CCCCOc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c(C)c1C 19943189 JRSGAIGSPIJWGB-GASCZTMLSA-N 353.528 4.149 0 40 FIAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1Cl 20030011 NTQUXCWGHHSUIR-QGZVFWFLSA-N 365.882 4.095 0 40 FIAB CN(C)[C@H](CNC(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccsc1 25330521 RWNKXFDRPZJZRP-MRXNPFEDSA-N 358.438 4.180 0 40 FIAB Cc1ccc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1 25871348 IFFZBLCEMBDFCU-UHFFFAOYSA-N 360.413 4.265 0 40 FIAB CC1(C)CN(C(=O)c2cc3sc(Nc4ccccc4)nc3s2)CCO1 27640482 SMDSJNJYILXLAC-UHFFFAOYSA-N 373.503 4.352 0 40 FIAB O=C(O)[C@H]1CC=CC[C@H]1c1nnc(CSc2ccc(Cl)cc2)o1 32937980 YTOYVXIOHPTPQD-OLZOCXBDSA-N 350.827 4.150 0 40 FIAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H]1CCCC[C@@H]1C 38500892 ZCBONLKBAYODFZ-YOEHRIQHSA-N 359.445 4.109 0 40 FIAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 40033494 MMRZWVBRDWZZJQ-SFHVURJKSA-N 368.452 4.208 0 40 FIAB CC(C)Sc1ncccc1C(=O)NCCc1ccc(OC(F)F)cc1 40120105 TZQBQDJHCIAFOA-UHFFFAOYSA-N 366.433 4.156 0 40 FIAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1F 41077018 LDDLPUJIZRZGNO-UHFFFAOYSA-N 371.387 4.249 0 40 FIAB COc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(N(C)C)nc1 48374038 BWENTBVSVZBEFC-UHFFFAOYSA-N 353.447 4.137 0 40 FIAB Cc1noc(C)c1COc1ccc(C(=O)N(C)c2ccc(F)c(F)c2)cc1 56226280 MJRKCDNUWXBXLH-UHFFFAOYSA-N 372.371 4.425 0 40 FIAB O=C(NOCc1ccccc1)c1csc(-c2ccc(Cl)s2)n1 57428651 QPHSXFDXVZPXCK-UHFFFAOYSA-N 350.852 4.387 0 40 FIAB COc1ccccc1-c1nc(C(=O)OCc2nc3ccccc3[nH]2)cs1 58313928 QCEAKFUJIJDEMT-UHFFFAOYSA-N 365.414 4.052 0 40 FIAB CC(C)NC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 59241780 HXYDBWRIMTXIAO-UHFFFAOYSA-N 374.868 4.274 0 40 FIAB COc1cccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 72348862 DMPADAJIEMLWRE-NRFANRHFSA-N 373.500 4.456 0 40 FIAB COc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 72348864 KHSVZKCQHZSGFO-OAQYLSRUSA-N 373.500 4.456 0 40 FIAB O=C(c1cc(-c2ccncc2)on1)N(Cc1ccccc1)Cc1ccco1 78624006 PUPLQHNBIHVQNP-UHFFFAOYSA-N 359.385 4.172 0 40 FIAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)C(=O)c1c[nH]c2ccccc12 84099166 FQASUUAEZORVRD-JCURWCKSSA-N 351.377 4.225 0 40 FIAB Cc1ccc(-n2nc(C)cc2NC(=O)N(C)CCc2cccs2)cc1 95403786 MVVIBNJRWNYQFU-UHFFFAOYSA-N 354.479 4.257 0 40 FIAB COc1nc(C)cc(C)c1-c1noc(-c2ccccc2Br)n1 95429390 WIQSSVHNDLSZBK-UHFFFAOYSA-N 360.211 4.187 0 40 FIAB C[C@@H](c1ccccn1)N(CC(=O)N1CCCCCC1)Cc1ccccc1 95456003 ALEWDCYGLMZBEM-IBGZPJMESA-N 351.494 4.047 0 40 FIAB Cc1ccc(CN2CC[C@]3(CCCN(Cc4c(C)noc4C)C3)C2)cc1 96215998 ZFEIZNGRGAALSB-QFIPXVFZSA-N 353.510 4.088 0 40 FIAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c(C)c1 98211270 HDRYJDXQIKWMSS-UHFFFAOYSA-N 372.428 4.461 0 40 FIAB CCNc1c(NC(=O)Nc2cccc(C(C)=O)c2)c(=O)oc2ccccc12 101094150 NOJIGBFGGHIPCV-UHFFFAOYSA-N 365.389 4.071 0 40 FIAB COc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccccc3)o2)cc1 107150533 HXIGTTGLMJLDKE-HNNXBMFYSA-N 350.418 4.160 0 40 FIAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OC 107921443 SYJHPTJNDPIERG-UHFFFAOYSA-N 372.328 4.264 0 40 FIAB COc1ccccc1[C@@H](C)CC(=O)NC[C@H](O)c1ccc2ccccc2c1 109689634 QUEZHVFGRVTPTB-KKSFZXQISA-N 363.457 4.192 0 40 FIAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(-n2ccnc2)cc1 216231351 LWAXOWCYTBOPCW-KRWDZBQOSA-N 363.461 4.079 0 40 FIAB COc1ccc2c(c1)[C@H](NC(=O)Cc1cc(C)ccc1C)CC(C)(C)O2 219276755 PYLZHXOBEGBBIO-LJQANCHMSA-N 353.462 4.273 0 40 FIAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN(C)c1ccccc1 219326552 WMKWSRVRLXNNRH-IBGZPJMESA-N 360.885 4.140 0 40 FIAB COc1ccccc1OCC(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223266057 PDLSRNKUQIJHST-INIZCTEOSA-N 371.477 4.392 0 40 FIAB Cc1nc(NC(=S)NC2CCCCC2)c(Cl)cc1Br 224036847 KJMNUFZLCGVCSU-UHFFFAOYSA-N 362.724 4.425 0 40 FIAB Cc1ccccc1OCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 224333657 HIZYAXYGKADWGF-GOSISDBHSA-N 366.505 4.036 0 40 FIAB Cc1cc(Cl)ccc1N(C)S(=O)(=O)c1ccc(Br)cc1 224730817 QSAJBSWPKNUAPM-UHFFFAOYSA-N 374.687 4.236 0 40 FIAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(F)cc1)CC(C)(C)O2 224735000 SNJKGSCFVTWDJJ-SFHVURJKSA-N 357.425 4.186 0 40 FIAB CC(C)Oc1cccc(NC(=S)NCCSCc2ccco2)c1 225348772 DPBCFOGFZPOEGS-UHFFFAOYSA-N 350.509 4.287 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C 225869936 HZGCLLCVVNBBOS-UHFFFAOYSA-N 366.505 4.348 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COCC(c1ccccc1)c1ccccc1 226170389 IDMDYWOMAWKGAQ-ZRCGQRJVSA-N 367.533 4.459 0 40 FIAB Cc1noc(C)c1C(=O)Nc1ccc(CC[C@@H]2CCN(C)C[C@H]2C)cc1 253603223 WUCVKGXWHXZAPW-RDTXWAMCSA-N 355.482 4.064 0 40 FIAB Clc1ccccc1Cc1cnc([C@H]2CCCN(c3ccncn3)C2)o1 257206033 BBOGSFHCWFEVDK-HNNXBMFYSA-N 354.841 4.093 0 40 FIAB COc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1C 409052144 IMHGHSKQPDPURD-AQTBWJFISA-N 369.442 4.119 0 40 FIAB COC(=O)c1ccc2nc(NC(=S)Nc3ccc(F)cc3)sc2c1 409189946 OCQIPQCRMJPWGD-UHFFFAOYSA-N 361.423 4.031 0 40 FIAB CN(C)[C@@H](CNC(=O)NCc1cccs1)c1csc2ccccc12 575621691 RDDQAGMDXSLPKG-INIZCTEOSA-N 359.520 4.065 0 40 FIAB O=C(Nc1cccc(Oc2ccccc2)c1)N1CCOC[C@@H]1CC(F)F 581388078 BFUWSGWAZCRTEJ-HNNXBMFYSA-N 362.376 4.367 0 40 FIAB CCOC(=O)c1sc(NC(=O)CSC(C)C)nc1-c1ccccc1 603514820 XLHLCUXITKYQJT-UHFFFAOYSA-N 364.492 4.067 0 40 FIAB Cc1cc(CN2CCC[C@H](c3nnc(-c4ccccc4F)s3)C2)no1 1888901290 AIQUFOINQHWVEI-ZDUSSCGKSA-N 358.442 4.020 0 40 FIAB Cc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)C2CCCCC2)cc1 857372 TYGHCFOBHZYMHG-KRWDZBQOSA-N 354.372 4.028 0 40 FIAB CCOC(=O)c1c(NC(=O)c2ccc(O)cc2)sc2c1CC[C@@H](C)C2 936526 HOGQJTCLJPYAQI-LLVKDONJSA-N 359.447 4.008 0 40 FIAB Brc1c(CSc2nc3ccccc3[nH]2)nc2sccn12 1245628 RFLLJZUTZBMBDA-UHFFFAOYSA-N 365.281 4.327 0 40 FIAB S=C(NCc1ccco1)N1CCC(c2nc3ccccc3s2)CC1 1327236 WUPBTEJMTKBDBW-UHFFFAOYSA-N 357.504 4.143 0 40 FIAB O=C(Nc1cccc(F)c1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1346899 MNLTVKNGSCJSFQ-INIZCTEOSA-N 361.804 4.114 0 40 FIAB CCCn1cnc2c(NS(=O)(=O)c3ccc(F)cc3)c(C)c(C)cc21 1388579 RVZCJJSISNCZIC-UHFFFAOYSA-N 361.442 4.003 0 40 FIAB COc1ccc([C@@H]2CC(=O)c3cnc(N4CCc5ccccc54)nc3C2)cc1 2436620 FHKPKPVJOWEHGY-KRWDZBQOSA-N 371.440 4.092 0 40 FIAB CCCSc1nnc(-c2cccc(OC)c2)n1-c1ccc(OC)cc1 2644584 JOBFBKOONYZGHZ-UHFFFAOYSA-N 355.463 4.454 0 40 FIAB O=c1c2c(nc(SCc3ccccc3)n1-c1ccccc1)CCS2 2719707 BTZYYFZPQXBJLS-UHFFFAOYSA-N 352.484 4.173 0 40 FIAB Cc1ccc(NC(=O)[C@H](Sc2nncn2C)c2ccccc2)cc1Cl 3395141 WETCUYFHJMSEJS-MRXNPFEDSA-N 372.881 4.249 0 40 FIAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2F)CC1 4151175 GSRCTQSINFMBJN-UHFFFAOYSA-N 356.485 4.081 0 40 FIAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccccc2F)C1=O 4513758 ORGRPUDFTHZSJD-QGZVFWFLSA-N 367.207 4.100 0 40 FIAB COc1ccc(OC)c2sc(NC(=O)c3ccccc3SC)nc12 4517456 XUOMIBVHPYEHJZ-UHFFFAOYSA-N 360.460 4.288 0 40 FIAB CC(C)C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C(C)C)cc1 4732463 VCJLEZGOZRDIIH-UHFFFAOYSA-N 363.465 4.372 0 40 FIAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccc(F)cc1 4854361 YCWXAEFLYOEOKT-IBGZPJMESA-N 353.372 4.403 0 40 FIAB Cc1ccc(-c2noc(CN(C(=O)/C=C/c3ccccc3)C(C)C)n2)cc1 4958749 PZGNCRHIJJBOQO-SDNWHVSQSA-N 361.445 4.495 0 40 FIAB Cc1cc2oc(=O)cc(CSc3nnc(-c4cccnc4)o3)c2cc1C 5213928 RUYBQFZJYNPUJL-UHFFFAOYSA-N 365.414 4.147 0 40 FIAB CN(CC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(OC(F)F)cc1 5938196 YBPYWDVGDDQDDD-UHFFFAOYSA-N 372.774 4.151 0 40 FIAB COc1cc(C)c(NC(=O)c2cc3ccccc3cc2OC)cc1OC 6259171 OUQHSNVZNLDJBM-UHFFFAOYSA-N 351.402 4.426 0 40 FIAB CCc1ccccc1NC(=O)c1cc(Br)c(OC)c(OC)c1 6605163 NPQOLGHAJSVRSH-UHFFFAOYSA-N 364.239 4.281 0 40 FIAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 6974938 YYEBOKTZKBUNRN-UHFFFAOYSA-N 374.368 4.112 0 40 FIAB COc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1F 7074050 KFVUPNVLDAEUKT-CQSZACIVSA-N 353.393 4.244 0 40 FIAB O=C([C@@H](Sc1ncnc2sccc12)c1ccccc1)N1CCCC1 7112868 UVYZCFKHFYFKGJ-HNNXBMFYSA-N 355.488 4.147 0 40 FIAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 7367941 FYJREBPTYCILPH-UHFFFAOYSA-N 366.895 4.147 0 40 FIAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1)c1ccccc1 7405007 WMBAVUYNJOMVIS-VGOFRKELSA-N 366.505 4.330 0 40 FIAB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C 7759693 UNCYSGOUDCCRSG-UHFFFAOYSA-N 355.825 4.279 0 40 FIAB Cc1nc(SCC(=O)c2ccc3c(c2)OCO3)c2c(C)c(C)sc2n1 7832782 ZNTMVWIORJCQIS-UHFFFAOYSA-N 372.471 4.320 0 40 FIAB COc1cc(NC(=O)c2csc(-c3ccc(C)cc3)n2)cc(OC)c1 8060886 FJLYCGVGHZKQGJ-UHFFFAOYSA-N 354.431 4.388 0 40 FIAB O=c1[nH]c(CSCc2ccccc2C(F)(F)F)nc2ccccc12 9114725 SAGJXQPDECGXBQ-UHFFFAOYSA-N 350.365 4.375 0 40 FIAB Cc1sc2ncnc(N[C@H](c3cccc(F)c3)c3nccn3C)c2c1C 9335794 QHENZELKFKQTLT-MRXNPFEDSA-N 367.453 4.382 0 40 FIAB CC(C)(C)CC(C)(C)NC[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 10383838 RXGWSHFUJMFZPS-RQJZOYDLSA-N 351.575 4.385 0 40 FIAB Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2Cl)ccc1N1CCCC1=O 10749782 NBEUZWBDRROTLD-AWEZNQCLSA-N 371.868 4.214 0 40 FIAB Cc1cc(C)n(C[C@H](C)C(=O)N2[C@H]3CC[C@@H]2CC(c2ccc(F)cc2)C3)n1 12181198 HFTQNSKJEYXYGC-OBVMDAEUSA-N 369.484 4.212 0 40 FIAB O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(Cl)cc(Cl)c1 12626038 XUCYWENYHCXZPW-UHFFFAOYSA-N 360.244 4.168 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1SC(F)F 12637743 AYHLMQRVHCITHC-UHFFFAOYSA-N 364.417 4.090 0 40 FIAB CC(C)(C)C1CCC(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)CC1 13020237 CRMFPBFXZNPCRW-FAFZWHIHSA-N 356.510 4.469 0 40 FIAB COc1ccccc1[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)C(C)C 13720695 GNJVGNSCVUZMMA-NRFANRHFSA-N 366.505 4.174 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2cc(OC)cc(OC)c2)cc1 15603618 DJHZUKBAIRMWPJ-VWMRQFFHSA-N 367.445 4.089 0 40 FIAB C[C@H]1CCc2nc(NC(=O)c3ccc(Br)cc3F)sc2C1 15612227 YRWNHCVEBZRWGQ-QMMMGPOBSA-N 369.259 4.422 0 40 FIAB COc1ccc([C@@H](CNC(=O)Nc2ccc(Cl)cc2)N2CCCC2)cc1 18177758 QMEZLUJJVMFDBL-LJQANCHMSA-N 373.884 4.307 0 40 FIAB C[C@@H](CCN1CCc2nc([C@@H]3CCCCN3C)ncc2C1)c1ccccc1 19455719 XMIGJZFWLPJIND-AVRDEDQJSA-N 364.537 4.185 0 40 FIAB CCn1nc2c(c1C(=O)Nc1ccc(-c3csc(C)n3)cc1)CCCC2 19524109 YUUUQPHDUIVRAQ-UHFFFAOYSA-N 366.490 4.466 0 40 FIAB Cc1c(CN(Cc2ccccn2)C[C@@H]2CCCO2)[nH]c2ccc(F)cc12 19565431 PDKXQHYPPLRGDD-SFHVURJKSA-N 353.441 4.192 0 40 FIAB CCCC[C@H](CC)CNC(=O)/C(=C\c1ccc(F)cc1)n1ccccc1=O 19810275 BPGMBZOTFMPQQR-AWZALFRUSA-N 370.468 4.318 0 40 FIAB CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 20858406 HZSKYSWJICNDIS-OALUTQOASA-N 370.518 4.211 0 40 FIAB CCc1cccc(C)c1NC(=O)c1cn(CC)c2ccc(OC)cc2c1=O 22235727 RCXHPDRPCMBHQF-UHFFFAOYSA-N 364.445 4.153 0 40 FIAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 22417825 JDAUMCYASCAZSW-AWEZNQCLSA-N 367.367 4.020 0 40 FIAB O=C(/C=C/c1ccccc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 22461620 HRQHRSXWFAWCFC-BUHFOSPRSA-N 368.396 4.451 0 40 FIAB Cc1nc(-c2ccc(CCNC(=O)c3cc(Cl)c[nH]3)s2)cs1 25945215 SDYYWZGDGYRBKB-UHFFFAOYSA-N 351.884 4.134 0 40 FIAB CN(CCOc1ccc(F)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 25988628 HCVCKJUCNBIZOL-UHFFFAOYSA-N 370.346 4.065 0 40 FIAB CCCOc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)c1 27794339 WEHIYXAAAYPKOH-QFIPXVFZSA-N 366.505 4.351 0 40 FIAB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCCCC2)nc1 30548287 KYKCNQPDEDYWIH-UHFFFAOYSA-N 359.495 4.041 0 40 FIAB COc1cccc2c1N(C(=O)c1ccc(F)cc1Br)CCC2 30575107 VGUPPLJLMUTGGW-UHFFFAOYSA-N 364.214 4.190 0 40 FIAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30943779 OZLOTUGVWUREQQ-GHTZIAJQSA-N 368.496 4.175 0 40 FIAB Cc1ccn2cc(C(=O)N[C@H](C)c3ccc(OC(F)(F)F)cc3)nc2c1 31952481 ORHMQAJOKKKNFA-GFCCVEGCSA-N 363.339 4.032 0 40 FIAB CCN(Cc1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)C(F)(F)F 32832756 UJXFQUAAIHVTEQ-UHFFFAOYSA-N 364.367 4.158 0 40 FIAB O=C(NCCCCOc1ccc(Cl)cc1)N[C@H]1CCc2ccccc21 32889733 ZZJPWPSWIGOVDR-IBGZPJMESA-N 358.869 4.486 0 40 FIAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C)cc2)cc1OC 32895141 ASYXNPXZFLBKRC-VQIMIIECSA-N 369.461 4.143 0 40 FIAB CC(C)(C)C(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 44889815 LZWZGWPURTUOEQ-KRWDZBQOSA-N 364.474 4.415 0 40 FIAB CCN(CC)[C@@H](CNC(=O)c1cn(C)c2ccccc12)c1ccsc1 48299809 RRSSGAGWCSJGBG-IBGZPJMESA-N 355.507 4.053 0 40 FIAB Cc1nc(S[C@H](C)c2nc(C(C)(C)C)no2)n(C[C@H]2CCCO2)c1C 48331603 NWBDRPPEJWWPKY-ZIAGYGMSSA-N 364.515 4.213 0 40 FIAB Fc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(Cl)cc3)n2)nc1 49155349 ZSNZNKBUDFMXSN-INIZCTEOSA-N 358.804 4.261 0 40 FIAB biogenic,in-vitro CSc1ccc(-c2noc(Cc3nnc(-c4ccc(F)cc4)o3)n2)cc1 49405270 DCXOBXBAIUKQJP-UHFFFAOYSA-N 368.393 4.238 0 40 FIAB COc1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 57413613 LSMRNNCISDHWDR-LBPRGKRZSA-N 355.825 4.230 0 40 FIAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncc[nH]2)c(C)n1Cc1ccccc1 58142398 OKMVMFQSLUFPDW-FQEVSTJZSA-N 362.477 4.244 0 40 FIAB O=C(O)c1cccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)c1 58425864 JJNCFVXBORAOCG-UHFFFAOYSA-N 364.426 4.302 0 40 FIAB Nc1c(Cl)cc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1Cl 65478177 SDYDZFKXXWFGNT-MRXNPFEDSA-N 361.232 4.000 0 40 FIAB CCOc1nnc(CSc2nccn2-c2cccc(Cl)c2C)s1 65518248 GJRINRDSHOMFKK-UHFFFAOYSA-N 366.899 4.377 0 40 FIAB Cc1occc1C(=O)NC1CCN(Cc2ccc(Cl)cc2Cl)CC1 66889970 SWEZIDIHXGKTRY-UHFFFAOYSA-N 367.276 4.289 0 40 FIAB CC(C)Cn1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O 70666478 WBCMVQMPKMCEMA-UHFFFAOYSA-N 359.429 4.391 0 40 FIAB biogenic C[C@H](Oc1ccccc1F)c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890687 XGGFJGCKFSOYKV-JTQLQIEISA-N 366.352 4.429 0 40 FIAB Cc1ccc([C@H]2CCCCN2C(=O)Cc2c(C)nn(C(F)F)c2C)cc1 76021915 QSMQASIKENGKTM-GOSISDBHSA-N 361.436 4.500 0 40 FIAB Cc1ccc(OC2CCN(C(=O)Nc3cnn(C(C)(C)C)c3)CC2)cc1C 93263140 RFPYTBPJTPIJQA-UHFFFAOYSA-N 370.497 4.330 0 40 FIAB Cc1cc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)nc(N2CCCCC2)n1 95450167 MOBGAMXCEBYJTA-YCRPNKLZSA-N 368.500 4.328 0 40 FIAB C[C@H](C(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccsc1 95975752 XMWJEGSOHRCGDK-IUIKQTSFSA-N 369.408 4.205 0 40 FIAB CC[C@H]1CN(C(=O)c2ccn(C3CCCC3)n2)c2cccc(Cl)c2O1 96009840 HOCPAAWAIJQCNB-AWEZNQCLSA-N 359.857 4.469 0 40 FIAB CC(C)Cc1sc(Cl)nc1C(=O)Nc1nnc(C2CCC2)s1 96224132 VJGVOSICSIULIZ-UHFFFAOYSA-N 356.904 4.366 0 40 FIAB Cc1ccc(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C 96621652 SARCSFJSJQRPSE-UHFFFAOYSA-N 350.506 4.202 0 40 FIAB COc1ccccc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 106781749 CUQDXRDIJYUEQF-AQTBWJFISA-N 369.442 4.119 0 40 FIAB C/C(=N\N=c1\sc2ccccc2n1C)c1ccccc1Br 108570523 YXNPNWAAPJFAID-ZZWQWEKISA-N 360.280 4.327 0 40 FIAB Cc1c(NC(=O)c2cc(Cl)c(Cl)n2C)cnn1-c1ccccc1F 129689187 JGZLGDFJWSEMOC-UHFFFAOYSA-N 367.211 4.217 0 40 FIAB CC(C)Oc1ccccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222584398 RVVSIUFNBHNXLG-GDIGMMSISA-N 353.491 4.458 0 40 FIAB CC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 222607014 OEJYSKQPYNFDMY-UHFFFAOYSA-N 366.808 4.008 0 40 FIAB CCOc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1SC 223437094 NZTHYNKSXGULBL-UHFFFAOYSA-N 357.884 4.261 0 40 FIAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1Cl 224287215 QPWTWYQMIVAAJO-HNNXBMFYSA-N 369.848 4.456 0 40 FIAB COc1cccc(C(=O)Nc2ccc(Br)c(Cl)c2)c1OC 225045523 HCMQZZRFXYJBIA-UHFFFAOYSA-N 370.630 4.372 0 40 FIAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccc(Cl)cc1)C2 225489532 RTSNLYQCPGIYJA-SFHVURJKSA-N 356.853 4.380 0 40 FIAB biogenic,in-vitro CCOc1ccccc1CCC(=O)NCc1cncc(-c2cccs2)c1 225665119 XKMPQXDEDRMBLJ-UHFFFAOYSA-N 366.486 4.458 0 40 FIAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814129 BSVRMIGXFRLPPC-UHFFFAOYSA-N 371.824 4.278 0 40 FIAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1 225818307 GIOHUKUVAWNIAK-UHFFFAOYSA-N 372.222 4.070 0 40 FIAB Cc1cc(Cl)cc(Cl)c1OCC(=O)n1nnc2cccc(Cl)c21 226359925 NSGIBWIILRKSGA-UHFFFAOYSA-N 370.623 4.419 0 40 FIAB Cc1ccc(CNC(=O)c2cn(-c3cccc(C(F)(F)F)c3)cn2)cc1 226751469 RHFGHQXAZPOCSG-UHFFFAOYSA-N 359.351 4.130 0 40 FIAB COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cccc(O)c3)C[C@@H]21 227486926 BIVJBBJTYUCXAR-UGKGYDQZSA-N 373.412 4.038 0 40 FIAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1OC 260778582 RPXQTCDVLRFWPJ-UPRAQXHNSA-N 369.490 4.078 0 40 FIAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(F)cc1 408713833 ADKMNVXBUXFIBR-UHFFFAOYSA-N 367.424 4.445 0 40 FIAB COC(=O)[C@@H](CC1CC1)[C@@H](CCC(F)(F)F)C(=O)OCc1ccccc1 504739531 HQTHMWJVEOBFEE-CVEARBPZSA-N 372.383 4.278 0 40 FIAB COc1ccc([C@@H]2CCN(C(=O)Nc3nc(C4CCC4)cs3)C2)cc1 516905769 KLJWBRUWZBSCOM-OAHLLOKOSA-N 357.479 4.441 0 40 FIAB Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@H](CO)c2cccc(Cl)c2F)c1 541918906 OJWBIQZUYMBWJC-DYVFJYSZSA-N 364.848 4.190 0 40 FIAB Cc1ccn2ncc(C(=O)N[C@H](C)c3ccccc3Oc3ccccc3)c2n1 590022979 PHBOJSWYODFWPL-MRXNPFEDSA-N 372.428 4.321 0 40 FIAB C[C@@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(C(F)F)nc1 657924683 DYRDVQLPBNYANJ-MEBBXXQBSA-N 371.225 4.166 0 40 FIAB CC(C)c1c(C2CC2)[nH]c2ccc(I)cc2c1=O 685938165 DUXOLBLHDYHEMQ-UHFFFAOYSA-N 353.203 4.134 0 40 FIAB Cc1ccc2nc(-c3cccs3)cc(C(=O)N[C@@H]3CO[C@H](C)C3)c2c1 1585363428 ZWILMWDZTFXCDJ-KGLIPLIRSA-N 352.459 4.179 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 807218 PPUQUTACFQEIAN-UHFFFAOYSA-N 370.792 4.446 0 40 FIAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccco2)cc1 1172013 AAMMULUVDLJMLH-VBKFSLOCSA-N 352.415 4.059 0 40 FIAB Cc1cc(C)cc(Cn2cc(Cl)cc(C(=O)Nc3ccccc3)c2=O)c1 1400239 JPPLCFQPWAHUNV-UHFFFAOYSA-N 366.848 4.419 0 40 FIAB CCN(CC)c1nc(Cl)c(-c2ccccc2O)n(-c2ccccc2)c1=O 1406030 NSKCHVJANGDANH-UHFFFAOYSA-N 369.852 4.105 0 40 FIAB O=C(Cc1ccc(Cl)cc1)c1ccc(I)cc1 2393002 VHSYBPGJDUDBQR-UHFFFAOYSA-N 356.590 4.370 0 40 FIAB CC(C)C[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CCC(C)CC1 2497021 RRWOMRVCKSUELS-VEGHNBABSA-N 350.547 4.039 0 40 FIAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 2662885 NGRKTALYTIIAGW-UHFFFAOYSA-N 356.469 4.245 0 40 FIAB COCCCNC(=O)CC12C[C@@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 2713480 XQYFAZOHBWWVOA-MGAZVUHYSA-N 355.522 4.376 0 40 FIAB CCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(C)c1 2723043 LPTUFMTUHXFBNO-UHFFFAOYSA-N 367.474 4.310 0 40 FIAB COc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)c(OC)c1 3274753 XPZZXFJBAYNJJJ-UHFFFAOYSA-N 355.415 4.184 0 40 FIAB CSc1ccc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc1 3571515 SLLBSQYZVOUUMG-OQLLNIDSSA-N 361.369 4.354 0 40 FIAB CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)CCCc2ccccc2)cc1 3623822 AYDTVZATYCOWPA-FQEVSTJZSA-N 369.461 4.129 0 40 FIAB CCCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 4696287 XVKXLKIRRAYFOW-UHFFFAOYSA-N 368.433 4.100 0 40 FIAB O=C(CN1CCCCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 4994413 LLMSHGKDHRMKFW-SFHVURJKSA-N 371.868 4.097 0 40 FIAB CCOc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1OC 5376166 QYCYWNVZWQPIJE-YVLHZVERSA-N 371.414 4.040 0 40 FIAB CCOP(=O)(OCC)[C@@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12 5395556 XBRZIMWUAYLLQW-MJGOQNOKSA-N 362.410 4.496 0 40 FIAB Cc1occc1-c1nnc(SC[C@@H]2CCCCO2)n1-c1ccccc1 5883153 UMBAUTAKBBRJRG-INIZCTEOSA-N 355.463 4.497 0 40 FIAB CC(C)NC(=O)CC1(C(=O)OCc2cccc3ccccc23)CCCC1 5938020 XMRGQCLGSDGMAN-UHFFFAOYSA-N 353.462 4.358 0 40 FIAB CCCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 6323846 MXOMTZKYVRCSAE-WZUFQYTHSA-N 361.206 4.348 0 40 FIAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)S[C@H](C)C(=O)N2 6678972 XUFKYBCXCJSITN-WBMJQRKESA-N 355.488 4.405 0 40 FIAB CN1CCc2c(sc3c2C(O)=N[C@H](c2c(Cl)cccc2Cl)N3)C1 6857608 LPKXNFGEPFTXQX-AWEZNQCLSA-N 368.289 4.472 0 40 FIAB CCOc1ccc(N(CC(=O)c2ccccc2)C2=NCCCS2)cc1 6870381 IGCIXRHKFGZQPP-UHFFFAOYSA-N 354.475 4.268 0 40 FIAB CSc1ccc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 7247432 LFLPHYZGKLHLPQ-UHFFFAOYSA-N 357.500 4.382 0 40 FIAB O=C(CCC(=O)c1cccs1)NCc1ccc(CN2CCCCC2)cc1 7447492 WBFXICGKDBAJCZ-UHFFFAOYSA-N 370.518 4.013 0 40 FIAB COc1ccccc1Nc1nc(N)nc(CSc2ccccc2Cl)n1 8486547 PNUJYUBHTWWWNE-UHFFFAOYSA-N 373.869 4.152 0 40 FIAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nccn2C(F)F)n1 8710094 PWJGJVZSEBRJTL-UHFFFAOYSA-N 371.800 4.018 0 40 FIAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)s2)ccc1OC(C)C 9176048 KVENPKJLDMQQOP-UHFFFAOYSA-N 368.838 4.237 0 40 FIAB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccccc1CN(C)C 9917372 UFNZDOMGDXGVSU-UHFFFAOYSA-N 371.531 4.172 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)Nc1ccc(NC(=O)C2CC2)cc1 10842510 YVPFSTHQXXIDFY-HNNXBMFYSA-N 351.450 4.091 0 40 FIAB CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccc1 11565877 PWXMLMVEIWWZLK-UHFFFAOYSA-N 361.507 4.386 0 40 FIAB Cc1ccc(CN(Cc2c[nH]nc2-c2cccs2)C[C@@H]2CCCO2)o1 12147088 HRRMRSAYQDZDOI-INIZCTEOSA-N 357.479 4.221 0 40 FIAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3ccc(F)cc3)c12 12228990 OQIXEMCKBHEDLQ-UHFFFAOYSA-N 361.376 4.267 0 40 FIAB Cc1ccccc1C(=O)N(C)c1ccccc1C(=O)NC1CCCCC1 12292997 JABHFJNUOGAEHF-UHFFFAOYSA-N 350.462 4.334 0 40 FIAB O=c1c2ccccc2[nH]c(=S)n1Cc1csc(-c2ccccc2)n1 12537366 QEQANFNSBARVEV-UHFFFAOYSA-N 351.456 4.231 0 40 FIAB CSc1ccc(Cl)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 12543456 OASSJYZOJJCNPT-UHFFFAOYSA-N 364.873 4.163 0 40 FIAB COc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(C)nc2c1 12607855 SDJZEJBMCBWNPB-UHFFFAOYSA-N 359.429 4.006 0 40 FIAB Cc1ccc2c(C)c(CCC(=O)Nc3cc(F)ccc3C)c(=O)oc2c1 12770901 LYFBBTYOLSFIBZ-UHFFFAOYSA-N 353.393 4.429 0 40 FIAB CC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c1 12917098 UFULRRLXXIHQQW-UHFFFAOYSA-N 371.502 4.366 0 40 FIAB C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1Br 12981924 LRCOESLCVCCOJY-CQSZACIVSA-N 356.267 4.486 0 40 FIAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(C)C)CC1=O 13757825 WHGWHFHLJQRSLP-MRXNPFEDSA-N 363.461 4.221 0 40 FIAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 13881789 WZMCQNFTPOLQBA-UHFFFAOYSA-N 366.490 4.232 0 40 FIAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc2c(c1)OCO2 14048225 MAMWUBMXGYEDER-UHFFFAOYSA-N 370.792 4.295 0 40 FIAB COc1ccccc1NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14167997 LOHKIOPBZDQSKN-QGZVFWFLSA-N 368.433 4.226 0 40 FIAB CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C)cc1 14219644 GXCZCSANNBMXPX-INIZCTEOSA-N 368.296 4.187 0 40 FIAB O=C(/C=C/c1ccc(F)cc1)Nc1ccnn1Cc1cccc(Cl)c1 15615182 XIQKEDFUUWLSKT-RMKNXTFCSA-N 355.800 4.376 0 40 FIAB COc1ccccc1[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl 16083767 AIOMULOOGXIKCG-JTQLQIEISA-N 360.262 4.042 0 40 FIAB CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccc(C)c(C)c1 17288178 SXWDHWOMAPMGOY-UHFFFAOYSA-N 357.461 4.459 0 40 FIAB CCCn1nc(C)c(-c2cncn2[C@@H](CCN(C)C)c2ccccc2)c1C 19654620 LYJJZFACRXFYJO-FQEVSTJZSA-N 365.525 4.315 0 40 FIAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCCCCC1 20105868 UHWODROUNVNPJC-QFIPXVFZSA-N 368.521 4.380 0 40 FIAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20141693 ZNKWCYOMTMOWSA-UHFFFAOYSA-N 351.402 4.398 0 40 FIAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccccc2C)ccc1Cl 20462323 ODMRMCOASFZLKI-ZDUSSCGKSA-N 361.825 4.231 0 40 FIAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)OCc2c(C)noc2C)s1 21927483 LQFKLTUBSBJMAI-UHFFFAOYSA-N 360.410 4.148 0 40 FIAB Cc1nn(-c2ccccc2)c(C)c1CNC[C@H](c1ccco1)N1CCCC1 22089101 BISYYRCOAMRFGY-OAQYLSRUSA-N 364.493 4.009 0 40 FIAB CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)c1ccccc1 23100108 HCGVDFBNRGMARN-FXAWDEMLSA-N 368.477 4.205 0 40 FIAB CN(C(=O)CSc1nc2ccccc2o1)[C@H]1CCCc2ccccc21 23260794 XDYUGGJOTLKZNZ-KRWDZBQOSA-N 352.459 4.456 0 40 FIAB CN(C)c1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cn1 24469874 UUWUDUFEUIPPIT-UHFFFAOYSA-N 357.504 4.113 0 40 FIAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(F)cc2C)no1 24745486 ONFIDTWAKPHGHB-UHFFFAOYSA-N 357.410 4.370 0 40 FIAB O=C(Nc1ccccc1)Nc1ccc(C(=O)NOCc2ccccc2)cc1 25038395 IJYNUJCTYCQLED-UHFFFAOYSA-N 361.401 4.192 0 40 FIAB COc1ccc(-n2ccnc2SCC(=O)c2cc(F)ccc2F)cc1 26048742 WZTYKMGPITYQRS-UHFFFAOYSA-N 360.385 4.134 0 40 FIAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)cc1F 26160986 HOBQGVLTMHHQIQ-CYBMUJFWSA-N 360.816 4.088 0 40 FIAB Oc1nc2sc3c(c2c2nc(-c4ccc(Cl)cc4)nn12)CCCC3 32682165 HEHNYHANOAGYCH-UHFFFAOYSA-N 356.838 4.244 0 40 FIAB C[C@H](NC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1 32794935 OVRDQXQSSHECMB-GJZGRUSLSA-N 351.450 4.157 0 40 FIAB CC(C)(C)c1noc(CCC(=O)Nc2ccccc2N2CCCCCC2)n1 32954225 RLXDVBHZCQLTQW-UHFFFAOYSA-N 370.497 4.319 0 40 FIAB CC(C)CN(C(=O)c1ccc(F)cc1)c1nnc(-c2ccncc2)s1 35315354 PUNPBJPKLFWNSK-UHFFFAOYSA-N 356.426 4.042 0 40 FIAB Cc1nc(CSCC(=O)N[C@H](C)Cc2cccc(Cl)c2)cs1 36392800 YZPRWNNJFZRWJV-LLVKDONJSA-N 354.928 4.086 0 40 FIAB COc1ccc(Br)c(C(=O)N2CC[C@H](c3ccccc3)C2)c1 38567273 OCPJBYILSKQCLL-AWEZNQCLSA-N 360.251 4.087 0 40 FIAB COc1cccc(CC(=O)Nc2ccc(CN3CCC[C@H](C)C3)cc2)c1 40107915 QLUICGRKRIDLEV-KRWDZBQOSA-N 352.478 4.108 0 40 FIAB CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1 40151358 SSIKAIJUPWFJJA-XLIONFOSSA-N 351.494 4.299 0 40 FIAB COc1ccc(OC)c(-n2cnc3c2N=C(O)C[C@H]3c2cccs2)c1 40287133 OIQYEFIKWGAVJK-LBPRGKRZSA-N 355.419 4.075 0 40 FIAB CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 43865754 YBLLZWOGKUIZBB-ZDUSSCGKSA-N 351.406 4.065 0 40 FIAB CN(C)[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 44225435 RSNTWSUOUOVUNP-QFIPXVFZSA-N 373.500 4.378 0 40 FIAB CCn1cc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ccccc2)c(C)n1 44901696 FVBYDAWBDVFBQE-GOSISDBHSA-N 367.478 4.130 0 40 FIAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(-c2cnn(C)c2)n1 44977297 UHTHNMNGEJXHJE-LBPRGKRZSA-N 366.446 4.123 0 40 FIAB Cc1nc(-n2cccc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 49006226 PIMSHCHYULLZIL-UHFFFAOYSA-N 365.380 4.191 0 40 FIAB FC(F)(F)c1ccc(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)nc1 49597263 KUVQYJWVXWLHFZ-UHFFFAOYSA-N 369.350 4.198 0 40 FIAB CCOc1cccc2cc(-c3nc(-c4ccc(C)cc4)no3)/c(=N/O)oc12 57354732 SNEXUDTYLXBVAC-XDOYNYLZSA-N 363.373 4.147 0 40 FIAB Cc1nccn1-c1ccc(CNC(=O)c2cc(C)n(C3CC3)c2C)cc1F 63114019 HFZNOKJHTFIHHY-UHFFFAOYSA-N 366.440 4.003 0 40 FIAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1-c1ncc[nH]1 72306641 UVWPUDLBJNNZFQ-UHFFFAOYSA-N 365.433 4.273 0 40 FIAB CC(C)Cn1ccc2c(NC(=O)c3cc(=O)[nH]c4ccccc34)cccc21 72405274 JQEQTYDEALWTOR-UHFFFAOYSA-N 359.429 4.391 0 40 FIAB CCn1c(-c2ccco2)nn(CN(C)CCCOc2ccccc2)c1=S 75666865 LPVNMDADBBXCSS-UHFFFAOYSA-N 372.494 4.052 0 40 FIAB Cc1ccc([C@@H]2CCCCN2C(=O)Cc2c(C)nn(C(F)F)c2C)cc1 76021913 QSMQASIKENGKTM-SFHVURJKSA-N 361.436 4.500 0 40 FIAB CCSc1ccc(NC(=O)c2ccc(CN3CCCCC3)s2)cn1 76061117 GIMOZEYGFMGVPS-UHFFFAOYSA-N 361.536 4.493 0 40 FIAB O=C(CN1CCc2sccc2C1)N1C[C@H]2CCCC[C@@]21c1ccccc1 79103468 MIDSRSDROCVQOD-DENIHFKCSA-N 366.530 4.034 0 40 FIAB CC(C)N(CC(=O)Nc1ccccc1SC(F)F)C[C@H]1CCCCO1 95455745 BBFVWUVZEWHAIA-CQSZACIVSA-N 372.481 4.219 0 40 FIAB C[C@H](c1ccccc1)n1c(S)nc2ccc(Br)cc2c1=O 100435400 MZXXNYMEGPHVHK-SNVBAGLBSA-N 361.264 4.057 0 40 FIAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 100554712 KXPCTCPHKOGHBC-BIPCEHGGSA-N 365.816 4.444 0 40 FIAB CCOc1cc(Br)c(C(=S)N2CCCCC2)cc1OCC 107591830 VTEVAQOZPAFKPT-UHFFFAOYSA-N 372.328 4.408 0 40 FIAB O=C(NC[C@@H]1CCCN1c1ccccc1)Nc1ccc(C(F)(F)F)cc1 211119801 NAWJTSKGQAUNNB-KRWDZBQOSA-N 363.383 4.496 0 40 FIAB Cc1cccc(CCCNC(=O)[C@H](C)Oc2cccc3c2CCCC3)c1 224196765 YFZCTGRZALRCMG-SFHVURJKSA-N 351.490 4.390 0 40 FIAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)c1 224319359 MHQMWLZKGLAKJZ-PMACEKPBSA-N 362.502 4.214 0 40 FIAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(OC(F)(F)F)cc1 224894354 DHLCUFSHCPEPIB-UHFFFAOYSA-N 365.351 4.482 0 40 FIAB Cc1cccc(CSCCNC(=S)Nc2c(F)cccc2F)c1 225338014 PVMLDRNESXVGQJ-UHFFFAOYSA-N 352.475 4.493 0 40 FIAB O=C(NCc1cccs1)N1CCC(Oc2cccc3cccnc23)CC1 225706269 CBNBEBMQONODTF-UHFFFAOYSA-N 367.474 4.049 0 40 FIAB CCOC(=O)C(C)(C)C(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 551527963 RZDGYRKGHPNMDC-UHFFFAOYSA-N 366.870 4.300 0 40 FIAB CCn1c(CN2CC[C@@H](c3ccccc3)[C@H]2C)nc2cc(C(=O)O)ccc21 565103231 DSSZYWJFFMVAIP-CRAIPNDOSA-N 363.461 4.132 0 40 FIAB O=C(Nc1c(F)cccc1F)N1CCC[C@H](Oc2ccncc2Cl)C1 575611931 GXMOAKCRUPEWNC-NSHDSACASA-N 367.783 4.089 0 40 FIAB O=C(c1ccc2ncsc2c1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575614132 XAIRTPHOCFIDEK-CYBMUJFWSA-N 373.865 4.028 0 40 FIAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CC[C@@H](C)C2(CCCCC2)C1 622514144 LSLPWDJALKJOPB-CYBMUJFWSA-N 357.420 4.029 0 40 FIAB C[C@H]1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)C[C@H]1n1ccnc1 675255120 FZGIXBMCHQMWAC-SWLSCSKDSA-N 374.897 4.316 0 40 FIAB Cc1cc(C)n(-c2ccc(NC(=O)c3csc(-c4ccco4)n3)cc2)n1 1332273160 FOICMUHDCBCWKT-UHFFFAOYSA-N 364.430 4.458 0 40 FIAB Cc1ccc(C)c(N[C@@H](NC(=O)c2ccccn2)C(Cl)(Cl)Cl)c1 836881 DMFDIJMJNLKKBU-HNNXBMFYSA-N 372.683 4.237 0 40 FIAB Cc1ccc(-c2cc3nc4c(c(NCCc5ccccn5)n3n2)CCC4)cc1 1340884 ZHMADIJQLALACV-UHFFFAOYSA-N 369.472 4.243 0 40 FIAB O=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(F)cc1 1450989 CPCFNNPBLQNXLY-HXUWFJFHSA-N 366.367 4.016 0 40 FIAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)c1cccs1 1994135 FWCUUQDLLKZYRY-UHFFFAOYSA-N 352.367 4.376 0 40 FIAB COc1cc(NC(=S)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC 2754640 OABILRCNJRIDDU-UHFFFAOYSA-N 370.833 4.314 0 40 FIAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1ccc(O)cc1O 3365817 UOCZXEIBAFCPFW-UHFFFAOYSA-N 363.744 4.140 0 40 FIAB CCOc1ccc(NC(=O)CCCc2nc(-c3cccc(C)c3)no2)cc1 4433730 JRGQSSTZWDZBQY-UHFFFAOYSA-N 365.433 4.405 0 40 FIAB CSc1cccc(NC(=O)CSc2nncn2-c2ccccc2C)c1 4510322 MFMXJDIKOMGMFR-UHFFFAOYSA-N 370.503 4.028 0 40 FIAB CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C)CC3 4591816 CHHIEYAYURNGFP-LBPRGKRZSA-N 356.516 4.353 0 40 FIAB CCCCCCOCCOCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 4691956 MQUDMBQELAOGLO-MOPGFXCFSA-N 353.547 4.345 0 40 FIAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)o2)cc1 4926390 UYIQLEMPILGOEU-ZDUSSCGKSA-N 354.431 4.417 0 40 FIAB Brc1ccccc1-c1nn2c(-c3cccs3)nnc2s1 4939154 RNXFPKGMGCTSAN-UHFFFAOYSA-N 363.265 4.344 0 40 FIAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)o1 5213945 UXPSTXRPMIHTQW-GFCCVEGCSA-N 364.430 4.285 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2ccccc2Cl)c1=O 5269885 WPYZWYLSYAVEOJ-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB Cc1ccc(OCC(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1 5752451 BWEUEDRMOYFCKW-UHFFFAOYSA-N 369.273 4.194 0 40 FIAB COc1cc(CN(C)CCc2ccccn2)ccc1OCc1ccccc1 5810271 SUFWINVWLQXKPI-UHFFFAOYSA-N 362.473 4.344 0 40 FIAB Cc1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 5865328 QDGYTYFUYXVUDJ-GFCCVEGCSA-N 364.430 4.135 0 40 FIAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1c(F)cccc1F 6084365 FDLJRODWAAEQLE-UHFFFAOYSA-N 360.143 4.067 0 40 FIAB Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl 6085487 SOMGWOHZJIFCRB-UHFFFAOYSA-N 361.869 4.347 0 40 FIAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(F)cc1 6752970 XSLHHIHCUYQSHA-FQEVSTJZSA-N 365.408 4.267 0 40 FIAB S=C(NNc1nncc2ccccc12)Nc1ccc(Cl)cc1Cl 6942914 ATILMLNKVBAQNJ-UHFFFAOYSA-N 364.261 4.250 0 40 FIAB COc1ccc(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 7318755 LHVXZKRNTWKBSA-UHFFFAOYSA-N 373.412 4.174 0 40 FIAB CCCCNc1nnc(SCC(=O)Nc2cc(C)ccc2C)s1 7737906 CODCYKZIKCQCND-UHFFFAOYSA-N 350.513 4.098 0 40 FIAB CCOc1ccc(C(C)=O)cc1Cn1cc(C(F)(F)F)cc(Cl)c1=O 7782175 LLIWDGWSODXLSW-UHFFFAOYSA-N 373.758 4.170 0 40 FIAB CC[C@H](c1ccccc1)c1nn2c(COc3ccc(F)cc3)nnc2s1 8393404 HYBHYNJHYMNMMU-MRXNPFEDSA-N 368.437 4.446 0 40 FIAB COc1cc(C(=O)NCc2cccs2)ccc1OCc1ccccc1 8428214 CKQLNDSDRVIAQN-UHFFFAOYSA-N 353.443 4.266 0 40 FIAB COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OC 8535300 BYWQEZSARHEXQS-GFCCVEGCSA-N 350.256 4.317 0 40 FIAB O=C1COc2ccc(C(=O)CSc3c(Cl)cccc3Cl)cc2N1 8726549 KNBAOLFJZHZBTC-UHFFFAOYSA-N 368.241 4.299 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCc1nc2ccccc2[nH]1 9154546 VRELPUMUGXMLAJ-UHFFFAOYSA-N 364.836 4.045 0 40 FIAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1cccnc1 9821962 KKIJCNAGYQEAKD-UHFFFAOYSA-N 360.344 4.246 0 40 FIAB biogenic Cc1sc(-c2ccccc2F)nc1C(=O)Nc1nc2ccccc2[nH]1 11691884 NRHUTHHMBHQPEG-UHFFFAOYSA-N 352.394 4.386 0 40 FIAB C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccccc1N1CCCCC1 12555263 SPRJARZWROYBAS-SFHVURJKSA-N 351.494 4.136 0 40 FIAB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 12565421 HHELNCVMWXUTCQ-PHIMTYICSA-N 368.264 4.105 0 40 FIAB CN(Cc1ccc2ccccc2c1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 12791224 KRBMKHMDOVVOKE-UHFFFAOYSA-N 366.505 4.083 0 40 FIAB COc1ccc(NC(=O)CSc2cnnc3ccccc23)cc1Cl 12976701 KGPVYWSQDOXQON-UHFFFAOYSA-N 359.838 4.023 0 40 FIAB Cc1ccc(Cl)cc1NC(=O)Nc1ccc(CN2CCOCC2)cc1 13325003 QETLDUIPGMLYRX-UHFFFAOYSA-N 359.857 4.125 0 40 FIAB CCN(CC)C(=O)c1ccccc1NC(=O)CCSCc1ccccc1 13688154 SCQYHSPSWVQQOZ-UHFFFAOYSA-N 370.518 4.431 0 40 FIAB O=S(=O)(c1c(Cl)cccc1Cl)N(Cc1ccc(F)cc1)C1CC1 14237303 DBIMBJSBZRMDAR-UHFFFAOYSA-N 374.264 4.486 0 40 FIAB Cc1ccc2oc(C(=O)N[C@H]3CCSc4ccccc43)cc(=O)c2c1 14240832 RGCPXMGAMJNOME-HNNXBMFYSA-N 351.427 4.068 0 40 FIAB CCOc1cc(Br)c(/C=C2/C(=O)Nc3ccccc32)cc1OC 15011357 CAPHWPHBXONBLI-MDWZMJQESA-N 374.234 4.349 0 40 FIAB COc1cc(CCNC(=O)c2cccc3ccccc23)ccc1OC(F)F 15135432 FZGJUAVKLHDBTG-UHFFFAOYSA-N 371.383 4.422 0 40 FIAB CC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1 15334746 RWNWEQGJCFBYBU-UHFFFAOYSA-N 371.502 4.366 0 40 FIAB Cc1cnccc1-c1cn(C)nc1[C@H]1CCCN1C(=O)CCc1ccccc1 19239668 QKUUOIPAWFXOMD-OAQYLSRUSA-N 374.488 4.087 0 40 FIAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)C(Cl)(Cl)Cl 20136980 MOMVAFKUQOEQMS-UHFFFAOYSA-N 369.031 4.401 0 40 FIAB Cc1c(C(=O)N2CCc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 22385990 AWWHCEDEALWXDP-UHFFFAOYSA-N 371.362 4.402 0 40 FIAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)OC 22509244 JHKJLBZMQPOZBJ-IBGZPJMESA-N 363.413 4.423 0 40 FIAB COc1ccc(OC)c(CCC(=O)Nc2ccccc2N2CCCCC2)c1 22896274 QXVMHSUMZMJHCZ-UHFFFAOYSA-N 368.477 4.265 0 40 FIAB Cc1ccc(CN(C)C(=O)c2ccc(Br)cc2F)c(C)c1 23040670 VMWGVMJMBIDASZ-UHFFFAOYSA-N 350.231 4.477 0 40 FIAB C[C@H]1CN(Cc2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc2)CCO1 25054987 UFPGYGYRNCAPTQ-HOTGVXAUSA-N 372.896 4.052 0 40 FIAB COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc(OC)c1Br 27256122 NDFWWGVIIVMRKB-YPMHNXCESA-N 370.287 4.117 0 40 FIAB O=C(Nc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)c1cccnc1 28221569 ISPLNUALFXDGKX-UHFFFAOYSA-N 360.348 4.190 0 40 FIAB O=C(NCCc1ccccc1)c1ccc(COc2ccc3c(c2)CCC3)o1 28230128 UUFMGLBVCGCVJM-UHFFFAOYSA-N 361.441 4.320 0 40 FIAB COc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(C)C)c1 28289387 OIPCFCOIOGIJFT-HXUWFJFHSA-N 354.494 4.025 0 40 FIAB CC(C)c1ccc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2ccccc2Cl)cc1 31249349 CQRWIESNHMSLKR-CABCVRRESA-N 372.896 4.459 0 40 FIAB CN(C)c1cccc(C(=O)Nc2cnn(Cc3c(F)cccc3Cl)c2)c1 32610043 WPMKFVMJHVTWPY-UHFFFAOYSA-N 372.831 4.042 0 40 FIAB COc1ccc(NC(=O)c2ccc(F)cc2F)cc1OCc1ccncc1 32832279 QRNINBNBANPXFG-UHFFFAOYSA-N 370.355 4.200 0 40 FIAB CCOC(=O)c1c(-c2ccco2)csc1NC(=S)NC1CCCC1 36646102 ZMXBVCDCTFBQHG-UHFFFAOYSA-N 364.492 4.414 0 40 FIAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(F)c(Cl)cc1Cl 39980544 CHMUYQQLKIGSCZ-UHFFFAOYSA-N 370.207 4.176 0 40 FIAB COc1ccccc1/C=C(/C(=O)N(C)Cc1ccccn1)c1ccccc1 40157736 VMDLYXXGAXXGEM-LTGZKZEYSA-N 358.441 4.289 0 40 FIAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2sccc2n1C 40786261 LURYHPIISROUFI-UHFFFAOYSA-N 364.474 4.354 0 40 FIAB Cc1c([C@@H](C)NC(=O)Nc2cccc(C(=O)N(C)C)c2)oc2ccccc12 47400242 BCQQKCADSBOPBX-CQSZACIVSA-N 365.433 4.326 0 40 FIAB CCN(CC)c1nc2sc(C(=O)N[C@@H](C)c3ccccn3)cc2s1 48368407 HIBOMNXLBSZNKD-NSHDSACASA-N 360.508 4.090 0 40 FIAB C[C@@H]1CCCN(c2ncc(-c3nccn3C)c(-c3ccc(Cl)cc3)n2)C1 57761985 OOTJVXWBAWWCTG-CQSZACIVSA-N 367.884 4.434 0 40 FIAB Cc1cccc(OS(=O)(=O)c2csc(-c3ccc(F)cc3)n2)c1C 58358269 PSGPHJSBZNVKLM-UHFFFAOYSA-N 363.435 4.334 0 40 FIAB CC(C)CC(=O)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 59921496 UJCTWLRLDONKAE-UHFFFAOYSA-N 354.425 4.403 0 40 FIAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2cc(Br)ccc2[nH]1 71973396 PZDCXMKEQLOWNP-CYBMUJFWSA-N 366.259 4.397 0 40 FIAB COc1ccc(CCC(=O)NCC[C@@H](O)c2cccc3ccccc23)cc1 77116851 GMSKBUAFFTXKPE-JOCHJYFZSA-N 363.457 4.021 0 40 FIAB Cc1cccc(OCC(=O)NCc2sc(-c3ccccc3)nc2C)c1 85470939 MIOPVQRLRKURBL-UHFFFAOYSA-N 352.459 4.122 0 40 FIAB O=C(c1cn(Cc2ccccc2)c2ccccc2c1=O)N1CCCCCC1 95427640 SPZYCDYBZZKWTO-UHFFFAOYSA-N 360.457 4.066 0 40 FIAB O=S(=O)(Nc1c(F)cccc1F)c1csc(-c2ccc(F)cc2)n1 95958216 VXCOWOSWCWKWPN-UHFFFAOYSA-N 370.377 4.028 0 40 FIAB C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1cccnc1Sc1ccccc1 101985343 HWVMLPSXDXSTPX-KMEDIVRHSA-N 364.474 4.075 0 40 FIAB C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)c1cccnc1Sc1ccccc1 101985347 HWVMLPSXDXSTPX-CGUCZKFASA-N 364.474 4.075 0 40 FIAB Cn1cnc(-c2ccc(C(=O)N3CCCC(C)(C)c4ccccc43)cc2)n1 181269680 HIVSXCIVJCMACC-UHFFFAOYSA-N 360.461 4.200 0 40 FIAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1cccc(C(F)(F)F)c1 199524850 IOJFAMZQIPLFTC-LBPRGKRZSA-N 354.261 4.186 0 40 FIAB COc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 218931482 CVXMPBDWHREPJZ-UHFFFAOYSA-N 355.478 4.121 0 40 FIAB CC[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(C)c(C)c1 222645863 VTKSMPTUVJTWOA-IBGZPJMESA-N 353.462 4.275 0 40 FIAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)COc1ccc(C)cc1 222970193 CJXUGZKAGHCOAK-QUCCMNQESA-N 355.478 4.353 0 40 FIAB Cc1ccccc1OCCNC(=O)CSCc1c(F)cccc1Cl 223455930 DIOVGTBIKFZLHI-UHFFFAOYSA-N 367.873 4.216 0 40 FIAB Cc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1 223641405 QUBNZKGSBOQNSN-UHFFFAOYSA-N 367.470 4.417 0 40 FIAB CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 224917846 IKGCKIQQJAFPLM-UHFFFAOYSA-N 367.751 4.323 0 40 FIAB COc1cc(C)c(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1C(C)C 225662802 WGGVMJJCFYTRTR-UHFFFAOYSA-N 363.461 4.243 0 40 FIAB CCCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1)C1CC1 225674621 MOKYKKFRRJNELL-ORAYPTAESA-N 369.889 4.288 0 40 FIAB COCCOc1ncc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C 225861244 ADXDLDSXMCWYDV-UHFFFAOYSA-N 368.477 4.174 0 40 FIAB CC[C@@H](C)OC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)O)[C@H]1c1ccccc1 245333799 ATVQCPSTHQBYQA-QSWMPLQWSA-N 352.430 4.226 0 40 FIAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC2CCCCCC2)n1 260723430 YHVVWMQSMXMKHI-OAHLLOKOSA-N 361.559 4.173 0 40 FIAB O=C(CCc1ccc(Cl)c(F)c1)NCc1ccnc(-c2ccncc2)c1 390826296 HLDOJGMQOQXICB-UHFFFAOYSA-N 369.827 4.185 0 40 FIAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OC)c2)C1=O 409101080 PKCZYDUJEIJTBA-MDWZMJQESA-N 355.843 4.192 0 40 FIAB O=C(Cc1ccc(Cl)cc1)NCCc1coc(-c2ccc(F)cc2)n1 507159725 YDNUIKSJHNFNAC-UHFFFAOYSA-N 358.800 4.036 0 40 FIAB COCc1cc(Cl)ccc1NC(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 667276972 UPZXNCPWZIKDRL-BPQIPLTHSA-N 360.816 4.085 0 40 FIAB CCn1cc([C@@H]2CSCCN2C(=O)C[C@H]2CCCc3ccccc32)cn1 683360707 KTWUUFVMXSEZSU-XLIONFOSSA-N 369.534 4.030 0 40 FIAB O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cc2ccc(Cl)cc2[nH]1 1633156091 UBMWLEZNLSEVOZ-IBGZPJMESA-N 364.836 4.189 0 40 FIAB O=S(=O)(CCc1ccccc1)NCc1cc(-c2ccsc2)cs1 1775969996 WPRVLPCCGPEFSH-UHFFFAOYSA-N 363.529 4.139 0 40 FIAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)n2C)cc1 649505 WGZDUXJTGYRYRC-HNNXBMFYSA-N 366.490 4.218 0 40 FIAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OC(C)C)cc2oc1=O 2395894 JGTADONQVHZCOE-UHFFFAOYSA-N 352.814 4.038 0 40 FIAB COc1ccc(C(=O)Cn2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 3288622 IUDWKBRYKASMMH-UHFFFAOYSA-N 368.392 4.139 0 40 FIAB CCOC(=O)C1=C(OCc2ccc(Cl)cc2)[C@H]2C=C(C)C=C[C@H]2N=C1 4107050 ZUKDHQBTBFLSDK-FUHWJXTLSA-N 357.837 4.259 0 40 FIAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC 4860434 FAFBEGHFEDBISJ-UHFFFAOYSA-N 370.478 4.160 0 40 FIAB CCCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5027096 MYWNRTUQDMHXNB-LLVKDONJSA-N 369.412 4.169 0 40 FIAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N1CCCC1 5242843 IZGSUXXQHXOUGI-HNNXBMFYSA-N 363.486 4.400 0 40 FIAB CC[C@H](C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2)c1ccccc1 5476441 GCHOCMSEFSOWOD-JSGCOSHPSA-N 356.491 4.104 0 40 FIAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccsc3)n2)c1 5632260 QNQJUSHQSOYQDF-UHFFFAOYSA-N 360.460 4.070 0 40 FIAB COc1ccccc1OCCC(=O)Nc1ccc(C)cc1Br 5938480 AIGMTHJTRZOLHI-UHFFFAOYSA-N 364.239 4.174 0 40 FIAB CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccccc2)cc1OC 5978796 KYHPTBOPSSOMIS-UHFFFAOYSA-N 362.809 4.177 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1C 6060581 CTHURFGUNLYZOL-UHFFFAOYSA-N 352.217 4.406 0 40 FIAB CCOc1ccccc1OCCCC(=O)Nc1nc2ccccc2s1 6223746 MFUIVEWMXJASMR-UHFFFAOYSA-N 356.447 4.493 0 40 FIAB COc1ccccc1NC(=O)Cn1ccc2cc(Br)ccc21 6235419 DJXHQCJBOHILEW-UHFFFAOYSA-N 359.223 4.051 0 40 FIAB O=C(COC(=O)C1CCC1)Nc1cc(Cl)ccc1Oc1ccccc1 6639108 CYQGYOBGOINSEI-UHFFFAOYSA-N 359.809 4.414 0 40 FIAB CCOc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OC1CCCCCC1 6820072 AZDJXFPRUIACBS-SFHVURJKSA-N 371.477 4.229 0 40 FIAB CSc1ncccc1C(=O)O[C@@H](C)C(=O)Nc1cccc2ccccc12 7657556 QOTBACMPFVSFSU-ZDUSSCGKSA-N 366.442 4.141 0 40 FIAB CCOc1ccccc1NCC(=O)Nc1ccc(Br)c(C)c1 7974817 HWFANRLLRDHBHQ-UHFFFAOYSA-N 363.255 4.207 0 40 FIAB CC(=O)c1csc(NC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)n1 9836409 IWYZKXFJDCPCCF-VOTSOKGWSA-N 373.434 4.260 0 40 FIAB CSc1cccc(NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)c1 9954620 BPZVQCXJYOQGMH-UHFFFAOYSA-N 362.505 4.030 0 40 FIAB Cc1ccccc1C1(O)CCN(Cc2cnn(C3CCCCC3)c2)CC1 12188740 ONENZYOEZPZLQR-UHFFFAOYSA-N 353.510 4.180 0 40 FIAB CCc1[nH]c2ccc(C(=O)NCc3nc(-c4ccccc4)no3)cc2c1C 12202549 ZDCJDOGKTBOCOB-UHFFFAOYSA-N 360.417 4.019 0 40 FIAB COc1cc2nc(NC(=O)c3cc(Cl)ccc3F)sc2cc1OC 12874065 MMMQXSNUXHBRLU-UHFFFAOYSA-N 366.801 4.358 0 40 FIAB CCn1ncc2c(C(=O)N(C)Cc3ccccc3)cc(-c3ccccc3)nc21 12987470 LNQDCSAUYUGAKO-UHFFFAOYSA-N 370.456 4.390 0 40 FIAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(C(=O)N(C)C)cc1 14163189 FKADXNORPDMWKP-UHFFFAOYSA-N 367.836 4.151 0 40 FIAB Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C(C)C)cc1)CC3 15841948 RZTKISGZPPZBBD-UHFFFAOYSA-N 366.486 4.418 0 40 FIAB O=S(=O)(Oc1ccc(F)cc1Cl)c1ccccc1Br 16092588 TVHDIYXCOKKGNC-UHFFFAOYSA-N 365.607 4.009 0 40 FIAB CCOc1ccc([C@@H](C)NC(=O)Nc2ccccc2OC)cc1OCC 18174211 OICTYJCQQKQPHW-CQSZACIVSA-N 358.438 4.375 0 40 FIAB Cc1ncsc1C(=O)N1[C@H](c2ccccc2)C[C@]2(C)NCCCCC[C@H]12 19713499 AQDBVYFFUMRQBA-WFXMLNOXSA-N 369.534 4.330 0 40 FIAB COc1ccccc1[C@@H]1CC(=O)c2cnc(Nc3cccc(C)c3)nc2C1 19958756 ZEXSHIXARPKINS-HNNXBMFYSA-N 359.429 4.450 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2ccc(CO)o2)c1 20144156 QAUQDSZAKNEKTE-UHFFFAOYSA-N 357.793 4.110 0 40 FIAB CCCCc1nnc2n1N1C(=CS[C@@H]1c1c[nH]c3ccccc13)S2 20722010 VFYILSLOIOXUFU-MRXNPFEDSA-N 355.492 4.390 0 40 FIAB COC(=O)c1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)oc1C 22018262 PQCMGMIPQIDAGK-LJQANCHMSA-N 362.385 4.146 0 40 FIAB COCc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1 22311783 TVZCULYQDREQNJ-UHFFFAOYSA-N 366.339 4.063 0 40 FIAB Clc1ccccc1Cn1cc(CN[C@H]2CCOc3ccccc32)cn1 22742376 IUCRJVGRQTVPKL-IBGZPJMESA-N 353.853 4.198 0 40 FIAB CC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)c1ccccc1 23182552 XPRRJJDXSXLYTE-FCHUYYIVSA-N 368.521 4.388 0 40 FIAB Cc1noc(COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 25445841 JMSLCXKNKKRBRY-UHFFFAOYSA-N 362.307 4.421 0 40 FIAB O=C(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)NCc1ccccc1 26507052 LDHXGZPZOYPRQW-UHFFFAOYSA-N 357.866 4.139 0 40 FIAB CCOc1ccc(Cl)cc1S(=O)(=O)Oc1cccc2cccnc12 26843751 KFVHTGMPFHCJJS-UHFFFAOYSA-N 363.822 4.055 0 40 FIAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1 28292188 PVTCARWKHTYEBC-KRWDZBQOSA-N 363.461 4.208 0 40 FIAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccoc2C)c1 32739238 PAYWPWHZHVEYIB-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB C[C@H](NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1nc2ccccc2[nH]1 32903806 RBQKMVDOZWMKTK-ZDUSSCGKSA-N 364.449 4.039 0 40 FIAB O=C(Cc1csc(-n2cccc2)n1)Nc1ccc(F)c(C(F)(F)F)c1 36708391 RFTAAWVDTDGLPG-UHFFFAOYSA-N 369.343 4.273 0 40 FIAB Cc1cccc(CSC[C@@H](O)[C@@H](O)CSCc2cccc(C)c2)c1 40545395 NMXNDLQCTBAEDB-BGYRXZFFSA-N 362.560 4.192 0 40 FIAB CCCOc1ccc2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)ccc2c1 41095259 WWDMODXOAHOASI-QRWLVFNGSA-N 361.507 4.486 0 40 FIAB CCN(CC)C(=O)c1cc(Br)cc(Br)c1Cl 41127311 LSUFGEHJWYTPMQ-UHFFFAOYSA-N 369.484 4.347 0 40 FIAB O=C(NCCSC1CCCC1)Nc1cccc(N2CCCCC2=O)c1 44304561 UVEJGZYARDLVBH-UHFFFAOYSA-N 361.511 4.001 0 40 FIAB Cc1nc(C(C)C)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1 46747183 WUKIZHLOBCXNSS-UHFFFAOYSA-N 358.385 4.404 0 40 FIAB O=C(Nc1ccc2c(c1)OCCCO2)N[C@@H]1CCCOc2ccc(F)cc21 54382433 ABBXAAXQBRJQIC-MRXNPFEDSA-N 372.396 4.022 0 40 FIAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 57380552 PLQDFCVUXMLGAA-KRWDZBQOSA-N 371.912 4.106 0 40 FIAB C[C@H](NC(=O)c1ccc(C2CCCCC2)cc1)C(=O)NCc1ccccc1 58174035 NZADUMRQSRJVPJ-KRWDZBQOSA-N 364.489 4.169 0 40 FIAB C[C@H]1CN(CC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)C[C@@H](C)O1 60368536 UNPMEYMQKWGFIN-IYBDPMFKSA-N 370.459 4.027 0 40 FIAB O=C(Cc1ccc2c(c1)CCO2)Nc1ccc(Oc2ccc(F)cc2)nc1 60474955 IRVBDDFBDCTLJE-UHFFFAOYSA-N 364.376 4.129 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)n1 61114600 RXIMPLUQGMTGRG-UHFFFAOYSA-N 374.488 4.401 0 40 FIAB Nc1cc(Cl)c(NC(=O)c2cccc(Cl)c2)cc1N1CCCC1 72229261 ZVBZUNFHRZJFQW-UHFFFAOYSA-N 350.249 4.428 0 40 FIAB C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)c1cccnc1 90114861 DFFMWXDRVTURJB-GCJKJVERSA-N 359.473 4.007 0 40 FIAB Cc1ccc(-c2n[nH]cc2CN2CCC(C(F)(F)F)(C(F)(F)F)C2)o1 93532467 SHKKKAHEYJELPE-UHFFFAOYSA-N 367.293 4.295 0 40 FIAB O=C(O)c1c(Br)nc2c(Cl)cccc2c1C(F)(F)F 95101171 OAPOFEPCFRZBNY-UHFFFAOYSA-N 354.509 4.368 0 40 FIAB O=C(Oc1ccc(Cl)c2ccccc12)[C@H]1CCCN(C(=O)C2CC2)C1 95393503 IQXMTBFMMSWOJG-AWEZNQCLSA-N 357.837 4.047 0 40 FIAB CCc1noc(COc2c(C)cccc2-c2nc3cc(F)ccc3n2C)n1 95452516 RDSATEMNHBJIFL-UHFFFAOYSA-N 366.396 4.212 0 40 FIAB C[C@H](NC(=O)c1ccc(Cl)cc1F)[C@@H]1CCN(Cc2ccccc2)C1 95466106 JKSWQEKCGQVFMO-GOEBONIOSA-N 360.860 4.120 0 40 FIAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCc1cccnc1 95480856 DRPLJCHSUARSST-GOSISDBHSA-N 353.853 4.027 0 40 FIAB Cc1c(NC(=O)N(Cc2ccccc2)C2CC2)cccc1N1CCCC1=O 95951284 UAVNHZDGQGVGPP-UHFFFAOYSA-N 363.461 4.318 0 40 FIAB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=S)Nc2ccccc2)cc1 100857988 HTDMUPBIPUHCSQ-SFHVURJKSA-N 367.474 4.153 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)c1 219606302 FBFBOQORWORJAS-KRWDZBQOSA-N 361.825 4.313 0 40 FIAB CC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 222632462 FUZYNYJMIFOMIJ-MRXNPFEDSA-N 366.870 4.016 0 40 FIAB O=C(NCc1nccc(N2CCCCC2)n1)c1ccc(-c2ccccc2)cc1 224160142 JTOMKGXLCSKDOO-UHFFFAOYSA-N 372.472 4.064 0 40 FIAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NCC 224514767 MLHUWJUBVCGUHW-OAHLLOKOSA-N 359.297 4.037 0 40 FIAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2cccc(C)c2)c2ccccc2O1 224597863 JWNUAFYFVNBYSO-IBGZPJMESA-N 373.518 4.497 0 40 FIAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccccc2)s1 225072123 BVNRXMCWEMEJMV-CQSZACIVSA-N 369.446 4.010 0 40 FIAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)cn1 225512964 SEQADAMAGNNEBE-HXUWFJFHSA-N 363.486 4.475 0 40 FIAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(OC(C)C)c1 225583337 LHZQJWWGHUWQHO-SFHVURJKSA-N 363.571 4.415 0 40 FIAB CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 253611272 KRBMZSYRIJAAMS-QTPSSFORSA-N 374.521 4.201 0 40 FIAB CCn1cc(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2cc(C)ccc21 408713283 RKPOVEKHBVJVNA-UHFFFAOYSA-N 370.836 4.244 0 40 FIAB CCOc1cc(CNc2ccccc2)cc(I)c1O 409121551 WPQKRSSPFQQDFQ-UHFFFAOYSA-N 369.202 4.008 0 40 FIAB O=C(c1cccn1C1CCCC1)N1CCN[C@H](c2cccc(Cl)c2)C1 513989574 MLDOHPQNGKSKMO-SFHVURJKSA-N 357.885 4.043 0 40 FIAB N#Cc1c[nH]ccc1=N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 547504447 VINWERHNVBIPHI-MRXNPFEDSA-N 350.422 4.127 0 40 FIAB CC(C)c1ccc([C@H](C)NC(=O)Nc2cn(Cc3ccccc3)nn2)cc1 669997134 LXLNMOOVUQLWQC-INIZCTEOSA-N 363.465 4.333 0 40 FIAB Brc1ccc(-c2n[nH]cc2CNc2ccc3c[nH]nc3c2)s1 1621046383 DUUHPIVHPPKZPM-UHFFFAOYSA-N 374.267 4.389 0 40 FIAB Cc1nc2ccccc2nc1N1CCC(N2CCc3sccc3C2)CC1 1775970362 KQWAFKXTJXQVLB-UHFFFAOYSA-N 364.518 4.027 0 40 FIAB O=C(c1cc2ccccc2[nH]1)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 2037846238 NEMJRYFAQIRZBF-YRNRMSPPSA-N 364.420 4.237 0 40 FIAB COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1326401 BKSQOUHUSZUZII-UHFFFAOYSA-N 352.459 4.325 0 40 FIAB CC(C)(C)C(=O)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1396499 XNPIREAAUVPMNN-UHFFFAOYSA-N 353.249 4.188 0 40 FIAB CCCCc1nc2sc3c(NCCCCN)ncnc3c2c2c1CCC2 2410974 PUVXIYFTTJHNQK-UHFFFAOYSA-N 369.538 4.222 0 40 FIAB Clc1nc2ccccc2c2nnc(-c3ccc(Br)cc3)n12 3063653 YJASWHXNUXOSHC-UHFFFAOYSA-N 359.614 4.360 0 40 FIAB O=C(Nc1ccccc1N1CCOCC1)c1cc2c(s1)CCCCC2 3352738 VITBQDILNISYGN-UHFFFAOYSA-N 356.491 4.106 0 40 FIAB O=C(Nc1ccc(N2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1 3515819 ZDDJTSGDRAABSZ-UHFFFAOYSA-N 365.355 4.186 0 40 FIAB C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCc2ccccc21 3544568 RVNVTVJLGXRFSH-NSHDSACASA-N 364.228 4.128 0 40 FIAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C 4340520 KNNMQRKLCDJAEQ-UHFFFAOYSA-N 361.854 4.495 0 40 FIAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(F)cc2)o1 4496574 UXDIFUHDGFYPRY-UHFFFAOYSA-N 363.801 4.260 0 40 FIAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OC1(CCCC1)O2 4743265 ZHMGPWPDCYOXCA-UHFFFAOYSA-N 359.809 4.399 0 40 FIAB c1ccc(-n2nc(SCc3ccc4c(c3)OCO4)nc2C2CC2)cc1 4935750 FQIFUBGDTZZPSA-UHFFFAOYSA-N 351.431 4.166 0 40 FIAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3O)[nH]n2)cc1Cl 5342679 MXOYYHNROHADHN-UHFFFAOYSA-N 357.797 4.005 0 40 FIAB O=C(O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1 5425693 SIIKWMRUAFSJSX-UHFFFAOYSA-N 371.776 4.463 0 40 FIAB C[C@@H]1CCc2c(sc3ncn(CC(=O)c4ccc(Cl)cc4)c(=O)c23)C1 5483104 ICRHXEOALNSJIQ-LLVKDONJSA-N 372.877 4.119 0 40 FIAB Cc1ccc(-c2ccc3c(N)c(C(=O)N4CCCCC4)sc3n2)cc1 5614288 OXCWRKXGCXMGRY-UHFFFAOYSA-N 351.475 4.480 0 40 FIAB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OC(C)C 5727359 WCVXQBHTCFVOHB-XNTDXEJSSA-N 354.381 4.167 0 40 FIAB Cc1cc(C(=O)COc2ccc3c(c2)OCO3)c(C)n1Cc1cccs1 6231669 FHZZLFQGSPNYMA-UHFFFAOYSA-N 369.442 4.205 0 40 FIAB CCOC(=O)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 6463382 ZUYOLYNAUFESJU-UHFFFAOYSA-N 352.434 4.220 0 40 FIAB CCCOc1ccc(-c2nonc2NC(=O)c2ccco2)cc1OCCC 6811506 YAQXGWXFDFTKQO-UHFFFAOYSA-N 371.393 4.160 0 40 FIAB CCc1ccc2c(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)coc2c1 7717352 AZBFNPGZBRFTIW-UHFFFAOYSA-N 365.385 4.108 0 40 FIAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1C(=O)NC1CC1 7979540 NKZUILXYGQKRLM-UHFFFAOYSA-N 374.440 4.410 0 40 FIAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccoc2C)cc1 8136870 KAKVOMNVQGLXQT-UHFFFAOYSA-N 350.374 4.101 0 40 FIAB COc1cccc(Cn2cc(NC(=O)Nc3ccc(Cl)cc3)cn2)c1 8167508 YWWBPXQIBMULRY-UHFFFAOYSA-N 356.813 4.237 0 40 FIAB Cc1ccccc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 8207256 HQFFBHXLDYHCKY-UHFFFAOYSA-N 358.850 4.232 0 40 FIAB Cc1cc(Cl)ccc1OCc1cc(=O)n2c3c(sc2n1)CCCC3 8603578 JJUBJIDAWJMLKV-UHFFFAOYSA-N 360.866 4.176 0 40 FIAB C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1nc2ccccc2s1 9387791 NXTLLSXDYOXNNG-LLVKDONJSA-N 361.417 4.034 0 40 FIAB CN(C)c1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 9423463 KBJXHNJENKJAEX-UHFFFAOYSA-N 372.457 4.134 0 40 FIAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2c(F)c(F)cc(F)c2F)c1C 9455187 SCHJYORJDGRSFL-SECBINFHSA-N 357.303 4.041 0 40 FIAB CCCNC(=O)C1(Cc2ccccc2-c2ccc(OC)cc2)CCOCC1 12231481 OLNXKOWUIUYPDS-UHFFFAOYSA-N 367.489 4.228 0 40 FIAB C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(-n2ccnc2)cc1 12540920 LSNNUMHIVMQLOH-ZDUSSCGKSA-N 370.250 4.126 0 40 FIAB CCCCCC[C@@H](C)NC(=O)N1CCN(c2ccccc2OCC)CC1 12545967 RUZABVUKJCHJCR-GOSISDBHSA-N 361.530 4.276 0 40 FIAB CCN(CC)c1ccc(NC(=O)CCc2nc(-c3cccs3)no2)cc1 12553928 OYJDSRRGASMETA-UHFFFAOYSA-N 370.478 4.216 0 40 FIAB CC(C)c1ccccc1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12871755 OJTYZBOQLWAOQH-UHFFFAOYSA-N 368.521 4.471 0 40 FIAB O=C(Cc1csc(-c2cccc(Br)c2)n1)NC1CCCC1 12978907 HEQDOXJGWOYTNU-UHFFFAOYSA-N 365.296 4.174 0 40 FIAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)N1CCC1 14128599 VVUAEEPZKASECS-BQYQJAHWSA-N 364.276 4.101 0 40 FIAB C[C@@H](Oc1ccccc1Cl)c1nn2c(=O)c3ccccc3nc2s1 17073870 ONMDTBDQVCGYBM-SNVBAGLBSA-N 357.822 4.098 0 40 FIAB CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCc2ccccc2C1 19499740 XCDFDLDBOIGWIS-GOSISDBHSA-N 367.522 4.027 0 40 FIAB Cc1ccccc1CN1CCC[C@@H](c2ccc(-c3ccc(N)nc3)cn2)C1 19688751 BSALDQHLMFBGTJ-OAQYLSRUSA-N 358.489 4.414 0 40 FIAB C[C@@H]1CN(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)C[C@@H](C)O1 20386121 OJLRJNGOQDIRQI-HUUCEWRRSA-N 355.869 4.264 0 40 FIAB Cc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 20411730 LDHPCCWEOSRBCL-UHFFFAOYSA-N 354.431 4.422 0 40 FIAB CCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC)cc3s2)cc1 20412306 TWUPZIRVBLSWTK-UHFFFAOYSA-N 370.430 4.124 0 40 FIAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCc2ccccc21 20489555 KMERTYCRKGLGQC-NRFANRHFSA-N 366.505 4.030 0 40 FIAB Fc1cc(F)cc(Cc2nnc3sc(/C=C/c4ccccc4)nn23)c1 20736278 XJMQBMKTKVXMOF-VOTSOKGWSA-N 354.385 4.225 0 40 FIAB Cc1nc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)sc1C 24677936 UDCZCDHDQYHZNJ-UHFFFAOYSA-N 358.442 4.460 0 40 FIAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(F)c(F)c1 24954102 PLFGYXVWICIRFA-JTQLQIEISA-N 361.779 4.499 0 40 FIAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 25929555 LGSDKPIKPDZWAR-UHFFFAOYSA-N 364.401 4.489 0 40 FIAB COc1cc(C2SCCS2)ccc1OC(=O)[C@@H]1Cc2ccccc2O1 29763506 SOQYRSVZEMLDBD-KRWDZBQOSA-N 374.483 4.083 0 40 FIAB COCc1cccc(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1 31952467 PPZUZTQTKTURRY-GFCCVEGCSA-N 353.340 4.223 0 40 FIAB Cc1cc(S(=O)(=O)Nc2ccncc2)c(C(C)C)cc1Br 32602041 KCQWSPKEELICQM-UHFFFAOYSA-N 369.284 4.077 0 40 FIAB Cc1cn(S(=O)(=O)c2cc(Cl)ccc2Cl)c(-c2ccccc2)n1 32603660 ODGDXTXBQZDLGX-UHFFFAOYSA-N 367.257 4.402 0 40 FIAB COc1ccc(-c2cc(C(=O)OC[C@@H]3CCCO3)c3ccccc3n2)cc1 32666406 NREITOUREGCKEK-KRWDZBQOSA-N 363.413 4.246 0 40 FIAB CC[C@@H](C(=O)NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1 32911944 TVJIXJLAQHOMGI-MRXNPFEDSA-N 365.399 4.212 0 40 FIAB Cc1nn(-c2ccccc2)c(N2CCC(Cc3ccccc3)CC2)c1C=O 33373429 IPNGQOVJQUMJAX-UHFFFAOYSA-N 359.473 4.452 0 40 FIAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2F)cc1OC 36354183 FORICWQEFYAXOT-CYBMUJFWSA-N 367.380 4.152 0 40 FIAB CCOc1ccccc1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 36395258 ZQSOEXLDEVLJAO-UHFFFAOYSA-N 352.356 4.422 0 40 FIAB CCc1ccc(C(=O)NCc2cccc(OCc3ccccn3)c2)s1 40107871 MMZUPQJQNCMJEX-UHFFFAOYSA-N 352.459 4.215 0 40 FIAB CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3ccccn3)C2)cc1 40151359 SSIKAIJUPWFJJA-PXNSSMCTSA-N 351.494 4.299 0 40 FIAB Cc1cc([C@@H]2CCCN2C(=O)c2sc(Cc3ccccc3)nc2C)on1 40154748 MVHYEUNRTHXPFN-INIZCTEOSA-N 367.474 4.316 0 40 FIAB O=c1c2ccccc2nc(SCc2ccncc2)n1Cc1ccccc1 42128724 GPNYGLOQCAWOOR-UHFFFAOYSA-N 359.454 4.132 0 40 FIAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)CCc3ccco3)cc2)C1 48341586 JMXFLRGCLQSYLY-QZTJIDSGSA-N 354.494 4.007 0 40 FIAB Cc1ccccc1NC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1 62580635 MBQPQHDJCVHOHZ-SFHVURJKSA-N 350.443 4.166 0 40 FIAB Cc1nc(-c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)no1 64329515 CFEYJDHWQPDKHL-UHFFFAOYSA-N 359.385 4.216 0 40 FIAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cccc(F)c1 67296288 NSASJZRDODTXIH-FLFQWRMESA-N 359.360 4.452 0 40 FIAB O=C(Nc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1)C1CC1 68379467 JMZYSWDPUPPAJE-NRFANRHFSA-N 360.457 4.327 0 40 FIAB COc1ccc(C)cc1C[S@](=O)Cc1nc(-c2ccccc2)oc1C 69819813 VWCLLLVZGSNDLE-RUZDIDTESA-N 355.459 4.416 0 40 FIAB CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 71282919 CKBMFRQFPORMAX-LJQANCHMSA-N 354.494 4.006 0 40 FIAB Cc1ccc(N2CCCC2)c(C(=O)N(C)Cc2nc3ccccc3s2)c1 72286792 TZOHVTUBRFRTFJ-UHFFFAOYSA-N 365.502 4.477 0 40 FIAB CCN(c1cccc(C)c1)S(=O)(=O)c1cc(Cl)c(C)cc1OC 72414375 KUTNKLGPEBNDKY-UHFFFAOYSA-N 353.871 4.181 0 40 FIAB Cc1cc2occ(CC(=O)NCC(=O)Nc3ccc(Cl)cc3)c2cc1C 72427618 CELNLVSUAPXDBO-UHFFFAOYSA-N 370.836 4.000 0 40 FIAB Cc1nnc(-c2cccc(C(=O)N(Cc3ccc(C)s3)C(C)C)c2)o1 73058506 YXWGJGFLPCLWAF-UHFFFAOYSA-N 355.463 4.466 0 40 FIAB CC(C)n1ncc2cc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cnc21 84633069 FXASLQIJYPXGTF-UHFFFAOYSA-N 353.470 4.103 0 40 FIAB CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2C(N)=O)C1 102839588 CHITUUTUOMFTAP-UKTARXLSSA-N 360.523 4.127 0 40 FIAB CC(C)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 114779549 SYQXJYBLHTWLDU-INIZCTEOSA-N 367.497 4.181 0 40 FIAB COc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(C)cc3)CC2)cc1 219863306 BEKWORYSTVUYQN-KRWDZBQOSA-N 352.478 4.097 0 40 FIAB COC(=O)c1cn(C(=O)[C@H](C)SCc2ccccc2)c2ccccc12 222570996 MPWWGJCWLUMQOW-AWEZNQCLSA-N 353.443 4.390 0 40 FIAB COc1ccc(Cl)cc1NC(=O)c1cnc(-c2ccc(F)cc2)nc1 222615747 PVTUMUDCKBVLAB-UHFFFAOYSA-N 357.772 4.197 0 40 FIAB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)c1 222966327 DXLGZNMBYSZWMU-GOSISDBHSA-N 355.434 4.276 0 40 FIAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCCc1cccc(OC)c1 222993546 AVXQXJBIEVFGKL-NRFANRHFSA-N 355.478 4.218 0 40 FIAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1C 223973528 CRFDRIHWOXAXHV-UHFFFAOYSA-N 352.478 4.261 0 40 FIAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COCC(C)C 224450950 NJEVPQQGIUGXEL-UHFFFAOYSA-N 373.449 4.137 0 40 FIAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 224882753 ROHPLUXWDRUPSV-MRXNPFEDSA-N 369.339 4.390 0 40 FIAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225106732 LWIMXQRNXNXMTD-UHFFFAOYSA-N 357.834 4.011 0 40 FIAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cccc(C)c3)s2)cc1 225386843 JNLHVGBRZLNNDN-CQSZACIVSA-N 353.447 4.228 0 40 FIAB Cc1cc(Cl)ccc1NC(=O)c1cc(OCc2ccccc2)ncn1 225534643 ICXBMHXQZSAHOW-UHFFFAOYSA-N 353.809 4.270 0 40 FIAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]21)c1ccccc1 409370618 CBNRHVGMYKICCW-UGESXGAOSA-N 355.437 4.077 0 40 FIAB CC(C)CCC(=O)Nc1nccn1Cc1ccc(Br)cc1 531518864 DGTWUQQEVDPXPH-UHFFFAOYSA-N 350.260 4.069 0 40 FIAB COC[C@@H]1CN(Cc2ccco2)CC12CCN(Cc1ccc(C)s1)CC2 585103041 LBWPRDPNJMLMNU-SFHVURJKSA-N 374.550 4.010 0 40 FIAB COc1ccc2c(c1)N(C(=O)[C@H](Cc1cccnc1)C1CCCC1)CCC2 1280443352 GCJNKHIXVWRIMQ-OAQYLSRUSA-N 364.489 4.419 0 40 FIAB O=C(c1ccc(O)cc1F)N1CC=C(c2ccccc2C(F)(F)F)CC1 1545397100 FMGNVQDLIZAKHD-UHFFFAOYSA-N 365.326 4.480 0 40 FIAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccccc1Cl 1789715 XVGQFVKBTPSYRK-UHFFFAOYSA-N 351.262 4.258 0 40 FIAB Clc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)c(Cl)c1 2438644 RSVUNMIJFOWNJN-UHFFFAOYSA-N 367.217 4.332 0 40 FIAB COc1ccccc1-c1c(NC(=O)c2ccco2)n(C)c2ccccc2c1=O 2439634 RPBMXHRQVYQZCX-UHFFFAOYSA-N 374.396 4.059 0 40 FIAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(F)cc2)cc1 2723204 SMMKZAVLHSGUER-UHFFFAOYSA-N 371.437 4.141 0 40 FIAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc(Br)c3)o2)n1 2763040 HJESFMONCIKKSO-UHFFFAOYSA-N 374.238 4.156 0 40 FIAB CCOC(=O)c1sc2ncn3nc(-c4ccccc4Cl)nc3c2c1C 2787177 LJAXIQFPIKYQQF-UHFFFAOYSA-N 372.837 4.145 0 40 FIAB COc1cc(C(=O)CSc2ccccc2Cl)cc(OC)c1OC 3243567 NATFIDXEOIGXSC-UHFFFAOYSA-N 352.839 4.341 0 40 FIAB Cc1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 3262790 PIMCXIXUPMCHSY-UHFFFAOYSA-N 373.623 4.146 0 40 FIAB Cc1cc(C)c(NC(=O)COC(=O)CCSc2ccccc2)c(C)c1 3268410 AJVNTILLEZSXID-UHFFFAOYSA-N 357.475 4.276 0 40 FIAB COc1ccc(C)cc1C(=O)CCC(=O)N[C@H]1CCCc2ccccc21 3418224 UOLZVIHSPGNQFK-IBGZPJMESA-N 351.446 4.160 0 40 FIAB CCOc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1 3457588 SWEVDPBSTROAPG-UHFFFAOYSA-N 364.239 4.174 0 40 FIAB Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(C)c4)nc3C2)cc1 4777075 FOMRAFYYQGPXGX-GOSISDBHSA-N 371.440 4.258 0 40 FIAB CC(=O)N1CCCc2cc(NC(=O)c3cccc(Br)c3)ccc21 5099232 MBHYFDNTPSOFMW-UHFFFAOYSA-N 373.250 4.001 0 40 FIAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1 6649418 QLCMUIYGUZGOJE-UHFFFAOYSA-N 356.491 4.088 0 40 FIAB Cc1csc(=O)n1CCC(=O)OCc1ccc(-c2ccccc2)cc1 6881756 MZMKPYQXAPZBRL-UHFFFAOYSA-N 353.443 4.019 0 40 FIAB O=C(COc1cccc(F)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7684939 HTYQUSRLNSLHTD-CQSZACIVSA-N 370.449 4.220 0 40 FIAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1C 7763627 PKHIUDNSHJKNCF-UHFFFAOYSA-N 372.519 4.272 0 40 FIAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 7977621 AAEXVOQNHYXARI-GOSISDBHSA-N 363.244 4.351 0 40 FIAB Fc1cccc(-n2nnnc2SCc2cc3ccccc3nc2Cl)c1 8075302 LGGGKLUDCKOBEA-UHFFFAOYSA-N 371.828 4.295 0 40 FIAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccccc1F 8654870 YQIGKSIURRWERF-IBGZPJMESA-N 360.860 4.436 0 40 FIAB COc1ccc(OC)c(C(=O)Nc2ccc(Br)cc2C)c1 9314560 SIYHQKXABWXRBX-UHFFFAOYSA-N 350.212 4.027 0 40 FIAB Cc1cccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3C)CC2=O)c1C 9581698 JTAAXFHRQWPDOH-OAHLLOKOSA-N 356.853 4.257 0 40 FIAB CC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 9741537 DHGZIYNGFSMCPZ-KRWDZBQOSA-N 365.458 4.232 0 40 FIAB Fc1ccc(CSc2nnc(-c3ccncc3)o2)c(Br)c1 10095924 MJAVTLMZXNNSQK-UHFFFAOYSA-N 366.215 4.326 0 40 FIAB Cc1ccc(-c2cn(-c3ccccc3)c(SCCC(N)=O)n2)cc1C 10126932 NWBQKQKRBDMYLH-UHFFFAOYSA-N 351.475 4.124 0 40 FIAB COc1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1Br 10553688 GSEDNQKRHRVLMC-UHFFFAOYSA-N 367.268 4.320 0 40 FIAB O=C(Nc1ccc(F)c(F)c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 11024027 SRDRHBZFMJWGKT-UHFFFAOYSA-N 374.774 4.081 0 40 FIAB COc1cc(C(=O)NCC2(c3ccccc3)CCC2)cc(Cl)c1OC 11176225 RMQAURJQBOPLGC-UHFFFAOYSA-N 359.853 4.209 0 40 FIAB CSc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 12039734 DSBVIBRGLISHKC-UHFFFAOYSA-N 370.503 4.277 0 40 FIAB CC(C)Oc1c(Br)cc(/C=C/C(=O)O)cc1Br 12394688 QHPSMOMFVVXVFT-ONEGZZNKSA-N 364.033 4.097 0 40 FIAB Cn1c(C[C@@H](NC(=O)c2ccccc2F)c2ccccc2)nc2ccccc21 12628940 RCGGENLBDAZFLU-HXUWFJFHSA-N 373.431 4.426 0 40 FIAB O=C(Cc1cccs1)Nc1ncc(Cc2ccc(F)c(F)c2)s1 12648007 LSCFRDXSNFJLMR-UHFFFAOYSA-N 350.415 4.255 0 40 FIAB COc1cccc(/N=c2\scc(-c3ccco3)n2C[C@H]2CCCO2)c1 12658315 DREAVORMRNQMPK-DVSFIDLUSA-N 356.447 4.230 0 40 FIAB NC(=O)c1ccc(COc2ccc3ccccc3c2Br)cc1 12783210 SWXNKYBRFVADBW-UHFFFAOYSA-N 356.219 4.280 0 40 FIAB Cc1cc(C)c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c(C)c1 12856709 YFZZKJKDALMIBE-GFCCVEGCSA-N 355.409 4.458 0 40 FIAB COc1cccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)c1 13154335 GICMNQCFHFYERH-KJAHXBPPSA-N 354.277 4.490 0 40 FIAB COc1cc2c(cc1OC)CN(C(=S)Nc1ccccc1Cl)CC2 13685314 VYWTUUQQFSUNSR-UHFFFAOYSA-N 362.882 4.112 0 40 FIAB CC(=O)N[C@H](C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1)C1CCCC1 14069615 KZOPRABNYJPTQL-SFHVURJKSA-N 371.506 4.060 0 40 FIAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)c1 15828389 ITUIKHCSZHPLCF-IBGZPJMESA-N 350.418 4.162 0 40 FIAB Fc1ccccc1OCCNc1nc(C(F)(F)F)nc2ccccc12 16694758 VWJXWVGYHOHXEK-UHFFFAOYSA-N 351.303 4.279 0 40 FIAB COc1ccccc1Nc1ncnc2c1cnn2-c1cccc(Cl)c1 16973911 BRWBLEZDOYVVFV-UHFFFAOYSA-N 351.797 4.221 0 40 FIAB COCCc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1 18830544 WHTCQVXNUJNKFM-UHFFFAOYSA-N 356.447 4.461 0 40 FIAB CCOc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20495479 OHDBWOFJARBATM-UHFFFAOYSA-N 366.505 4.247 0 40 FIAB COc1cc(CNc2ccc(Cl)c(C(=O)O)c2)cc(Cl)c1OC 20881257 HUDAGGXJTSVYIX-UHFFFAOYSA-N 356.205 4.321 0 40 FIAB CCc1nnc(-c2cc3ccccc3n2Cc2ccc(C(=O)OC)cc2)o1 22714381 KOMZQOHXKLBHJX-UHFFFAOYSA-N 361.401 4.089 0 40 FIAB O=C(c1ccccc1Cl)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 23140245 GXUVYNYNQNYPPT-LBPRGKRZSA-N 373.865 4.471 0 40 FIAB CC(=O)c1ccc(N2CCN([C@H](C)c3nc4ccccc4s3)CC2)cc1 23864779 TUZREIWMPSLTNL-OAHLLOKOSA-N 365.502 4.382 0 40 FIAB O=C1C[C@H](C(=O)Oc2ccc(C3SCCS3)cc2)c2ccccc2N1 25001704 MXVKJVSQZKOLCS-HNNXBMFYSA-N 371.483 4.197 0 40 FIAB CC(C)[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 25159066 UJEXSPJRLHSVLN-FQEVSTJZSA-N 351.425 4.198 0 40 FIAB O=C(NCc1ccccc1)c1ccccc1-c1cc2ccccc2oc1=O 27663811 ZMPFOQLZFYWTRV-UHFFFAOYSA-N 355.393 4.390 0 40 FIAB CCn1c2ccccc2c2cc(/C=C/C(=O)OCc3nnc(C)o3)ccc21 27875601 ZPKBQXQLFIYTGM-PKNBQFBNSA-N 361.401 4.262 0 40 FIAB CN(CC(=O)Nc1ccccc1Br)[C@@H]1CCc2ccccc21 29483375 YLFLWYLSRKUXAF-QGZVFWFLSA-N 359.267 4.007 0 40 FIAB COc1cc(CN[C@@H](c2ccccc2)c2nccn2C)ccc1OC(C)C 30643179 JWTREWYPWIXUFE-NRFANRHFSA-N 365.477 4.095 0 40 FIAB O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)c1cccs1 35289438 RRONFLZBSOVUHK-SFHVURJKSA-N 369.417 4.102 0 40 FIAB CCn1c(=O)n(Cc2csc(-c3ccc(F)cc3)n2)c2ccccc21 40039548 YNKGYJLOFPOMSF-UHFFFAOYSA-N 353.422 4.134 0 40 FIAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 44852650 PFEFQMOYLDSDFO-LJQANCHMSA-N 366.505 4.178 0 40 FIAB CC(C)c1nnc(S[C@H](C)c2nc(C3CC3)no2)n1Cc1ccco1 53665807 NDFQCBHCNWCQMX-LLVKDONJSA-N 359.455 4.157 0 40 FIAB CCN(c1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1)C(C)C 57475886 MZGKMHHKJZDHKC-MGPUTAFESA-N 354.450 4.088 0 40 FIAB COc1ccc(CNC[C@H](c2cccs2)N2CCC(C)CC2)cc1O 60832299 CWFAQKYDNAGZGW-QGZVFWFLSA-N 360.523 4.025 0 40 FIAB O=C([C@H]1C[C@H]1c1ccccc1F)N1CC=C(c2c[nH]c3ncccc23)CC1 72271165 VBOKXXCIUDYJMR-ROUUACIJSA-N 361.420 4.121 0 40 FIAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc2c(Cl)cccc2s1 79475178 DDIQEIDWKBXYTO-UHFFFAOYSA-N 368.849 4.447 0 40 FIAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 83261254 NNMJHVBZUSISMC-AGOGEJHMSA-N 374.521 4.345 0 40 FIAB CCN(CC)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cn1 84774510 FLYPMNLLSCMVSF-UHFFFAOYSA-N 360.461 4.217 0 40 FIAB CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cc(-c3ccccc3)cs1)CC2 93614239 MLKOXRCJAFZQFT-WOJBJXKFSA-N 357.519 4.167 0 40 FIAB COc1ccsc1C(=O)Nc1c(C)c(C2CC2)nn1-c1ccccc1 95957262 VGFTYZVYMHBORE-UHFFFAOYSA-N 353.447 4.381 0 40 FIAB Cc1ccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193881 BTCXIQVQQZJYNP-UHFFFAOYSA-N 362.414 4.486 0 40 FIAB Cc1ccccc1N1C(=O)/C(=C/c2cccc(O)c2)c2ccccc2C1=O 96669501 TWYNRIYAYNYGEI-XSFVSMFZSA-N 355.393 4.428 0 40 FIAB COc1ccc(Br)c(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102963197 SAGBPYVMMVLTFX-SFTQSGBHSA-N 352.272 4.012 0 40 FIAB Cc1noc(C)c1CN1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C 106172021 ULJHJYNNDQQYPO-QZTJIDSGSA-N 363.502 4.045 0 40 FIAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 222852772 XLDQQBYEOGLMTM-OALUTQOASA-N 354.523 4.379 0 40 FIAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1cccc2ccccc12 223550722 IJRCIWCRQODBSX-QGZVFWFLSA-N 363.457 4.365 0 40 FIAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccc1OC 223696370 RQQUBXLFCGGZMO-HXUWFJFHSA-N 353.462 4.048 0 40 FIAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)[nH]1 224421782 IGLFVFPZKGJTST-MOPGFXCFSA-N 366.465 4.343 0 40 FIAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)[nH]1 224449865 CJSSYFGPPFANSM-ZWKOTPCHSA-N 352.438 4.034 0 40 FIAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc(C)cc1 224688625 QEDBJBMMKGMTJP-UHFFFAOYSA-N 368.296 4.281 0 40 FIAB Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c(C)c1 225229560 JKDGFMOOCHDTTJ-UHFFFAOYSA-N 359.564 4.316 0 40 FIAB COc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)cc3)s2)cc1 225313710 FDGDEQYGBMESDY-UHFFFAOYSA-N 359.838 4.048 0 40 FIAB NCc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 228979533 DQCIJWXOHAWKTO-UHFFFAOYSA-N 362.273 4.435 0 40 FIAB Cc1ncoc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257255403 KHINIXZXMGFIDT-INIZCTEOSA-N 371.824 4.193 0 40 FIAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccc3ccccc3c2)nc1 257257214 KOOUVSDVHFMMER-HSZRJFAPSA-N 359.473 4.208 0 40 FIAB Cc1c[nH]nc1[C@H]1CCN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257285547 PHRGNDJVULIOMC-SFHVURJKSA-N 361.445 4.073 0 40 FIAB CCOC(=O)c1cc(-c2cc(Br)cc(C(F)(F)F)c2)on1 260162329 GIEVVHHZBXOGLH-UHFFFAOYSA-N 364.117 4.300 0 40 FIAB Cn1c2c(n3cc(-c4ccc(F)cc4)nc13)CN(Cc1cccs1)CC2 306144051 YULRKPJZSMFGTM-UHFFFAOYSA-N 366.465 4.099 0 40 FIAB O=C(NC1(c2cccs2)CCOCC1)c1csc(-c2ccccc2)n1 390827944 MIDOFKOQQLAVJM-UHFFFAOYSA-N 370.499 4.307 0 40 FIAB CN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O 408819670 RAFNDWYVPJCUAQ-MDWZMJQESA-N 364.220 4.375 0 40 FIAB CCOC(=O)/C(=C\c1ncc(C(C)(C)C)s1)c1ccc(OCC)cn1 585083000 RFMKHGYUCNKDSN-UVTDQMKNSA-N 360.479 4.338 0 40 FIAB C[C@@H](Oc1ccccc1)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 618255979 LUEWMRSNDVKNSD-HIFRSBDPSA-N 373.499 4.094 0 40 FIAB Cc1cc(Br)cc2c1CN(C[C@H](O)CC1CCCC1)CC2 1616678239 QRBAUZOLQQZJIM-QGZVFWFLSA-N 352.316 4.057 0 40 FIAB